data_15074_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15074
_Entry.PDB_ID 2JMO
_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 6 . 1 1 1 A 2 2 HIS H H 2 7.929 7.914 0.015 1
1 9 . 1 1 1 A 2 2 HIS CB C 2 31.017 29.918 1.099 1
1 12 . 1 1 1 A 2 2 HIS N N 2 118.946 119.056 -0.110 1
1 13 . 1 1 1 A 3 3 MET HA H 3 4.537 4.077 0.460 1
1 16 . 1 1 1 A 3 3 MET C C 3 176.240 176.398 -0.158 1
1 17 . 1 1 1 A 3 3 MET CA C 3 55.681 56.786 -1.105 1
1 18 . 1 1 1 A 3 3 MET CB C 3 33.063 33.257 -0.194 1
1 20 . 1 1 1 A 4 4 GLY H H 4 8.155 8.491 -0.336 1
1 21 . 1 1 1 A 4 4 GLY HA2 H 4 4.031 4.165 -0.134 1
1 22 . 1 1 1 A 4 4 GLY HA3 H 4 4.031 4.170 -0.139 1
1 23 . 1 1 1 A 4 4 GLY C C 4 174.348 172.231 2.117 1
1 24 . 1 1 1 A 4 4 GLY CA C 4 45.418 45.260 0.158 1
1 25 . 1 1 1 A 4 4 GLY N N 4 108.673 108.633 0.040 1
1 26 . 1 1 1 A 5 5 GLU H H 5 8.351 9.024 -0.673 1
1 27 . 1 1 1 A 5 5 GLU HA H 5 4.275 5.150 -0.875 1
1 32 . 1 1 1 A 5 5 GLU C C 5 177.037 174.737 2.300 1
1 33 . 1 1 1 A 5 5 GLU CA C 5 57.098 54.401 2.697 1
1 34 . 1 1 1 A 5 5 GLU CB C 5 30.282 33.738 -3.456 1
1 36 . 1 1 1 A 5 5 GLU N N 5 120.605 121.389 -0.784 1
1 37 . 1 1 1 A 6 6 GLU H H 6 8.641 8.665 -0.024 1
1 38 . 1 1 1 A 6 6 GLU HA H 6 4.248 5.141 -0.893 1
1 43 . 1 1 1 A 6 6 GLU C C 6 176.799 175.000 1.799 1
1 44 . 1 1 1 A 6 6 GLU CA C 6 57.344 54.660 2.684 1
1 45 . 1 1 1 A 6 6 GLU CB C 6 29.842 34.661 -4.819 1
1 47 . 1 1 1 A 6 6 GLU N N 6 121.425 118.959 2.466 1
1 48 . 1 1 1 A 7 7 GLN H H 7 8.304 8.798 -0.494 1
1 53 . 1 1 1 A 7 7 GLN C C 7 175.537 174.445 1.092 1
1 54 . 1 1 1 A 7 7 GLN CA C 7 56.292 53.709 2.583 1
1 55 . 1 1 1 A 7 7 GLN CB C 7 29.164 32.287 -3.123 1
1 57 . 1 1 1 A 7 7 GLN N N 7 120.185 118.447 1.738 1
1 59 . 1 1 1 A 8 8 TYR H H 8 8.221 8.634 -0.413 1
1 60 . 1 1 1 A 8 8 TYR HA H 8 4.606 4.556 0.050 1
1 67 . 1 1 1 A 8 8 TYR C C 8 175.728 175.379 0.349 1
1 68 . 1 1 1 A 8 8 TYR CA C 8 58.138 59.380 -1.242 1
1 69 . 1 1 1 A 8 8 TYR CB C 8 38.766 38.615 0.151 1
1 70 . 1 1 1 A 8 8 TYR N N 8 120.918 121.266 -0.348 1
1 71 . 1 1 1 A 9 9 ASN H H 9 8.288 8.938 -0.650 1
1 72 . 1 1 1 A 9 9 ASN HA H 9 4.654 5.031 -0.377 1
1 77 . 1 1 1 A 9 9 ASN C C 9 175.439 176.200 -0.761 1
1 78 . 1 1 1 A 9 9 ASN CA C 9 53.435 52.447 0.988 1
1 79 . 1 1 1 A 9 9 ASN CB C 9 38.790 40.556 -1.766 1
1 80 . 1 1 1 A 9 9 ASN N N 9 120.180 123.003 -2.823 1
1 82 . 1 1 1 A 10 10 ARG H H 10 8.128 8.918 -0.790 1
1 83 . 1 1 1 A 10 10 ARG HA H 10 4.171 4.054 0.117 1
1 90 . 1 1 1 A 10 10 ARG C C 10 176.244 176.367 -0.123 1
1 91 . 1 1 1 A 10 10 ARG CA C 10 57.023 57.040 -0.017 1
1 92 . 1 1 1 A 10 10 ARG CB C 10 30.535 27.995 2.540 1
1 95 . 1 1 1 A 10 10 ARG N N 10 121.014 123.933 -2.919 1
1 96 . 1 1 1 A 11 11 TYR H H 11 8.108 8.074 0.034 1
1 97 . 1 1 1 A 11 11 TYR HA H 11 4.543 4.316 0.227 1
1 104 . 1 1 1 A 11 11 TYR C C 11 175.929 175.450 0.479 1
1 105 . 1 1 1 A 11 11 TYR CA C 11 58.219 61.491 -3.272 1
1 106 . 1 1 1 A 11 11 TYR CB C 11 38.365 38.982 -0.617 1
1 107 . 1 1 1 A 11 11 TYR N N 11 119.776 120.832 -1.056 1
1 108 . 1 1 1 A 12 12 GLN H H 12 8.050 7.811 0.239 1
1 109 . 1 1 1 A 12 12 GLN HA H 12 4.269 4.455 -0.186 1
1 116 . 1 1 1 A 12 12 GLN C C 12 175.917 175.626 0.291 1
1 117 . 1 1 1 A 12 12 GLN CA C 12 56.240 55.746 0.494 1
1 118 . 1 1 1 A 12 12 GLN CB C 12 29.463 29.348 0.115 1
1 120 . 1 1 1 A 12 12 GLN N N 12 120.992 115.025 5.967 1
1 122 . 1 1 1 A 13 13 GLN H H 13 8.065 8.224 -0.159 1
1 123 . 1 1 1 A 13 13 GLN HA H 13 4.202 4.633 -0.431 1
1 130 . 1 1 1 A 13 13 GLN C C 13 175.644 175.220 0.424 1
1 131 . 1 1 1 A 13 13 GLN CA C 13 56.242 53.735 2.507 1
1 132 . 1 1 1 A 13 13 GLN CB C 13 29.394 32.094 -2.700 1
1 134 . 1 1 1 A 13 13 GLN N N 13 120.539 121.748 -1.209 1
1 136 . 1 1 1 A 14 14 TYR H H 14 8.212 9.209 -0.997 1
1 137 . 1 1 1 A 14 14 TYR HA H 14 4.572 4.160 0.412 1
1 144 . 1 1 1 A 14 14 TYR C C 14 176.382 178.653 -2.271 1
1 145 . 1 1 1 A 14 14 TYR CA C 14 57.958 60.334 -2.376 1
1 146 . 1 1 1 A 14 14 TYR CB C 14 38.983 37.872 1.111 1
1 151 . 1 1 1 A 14 14 TYR N N 14 120.582 122.261 -1.679 1
1 152 . 1 1 1 A 15 15 GLY H H 15 8.405 8.670 -0.265 1
1 153 . 1 1 1 A 15 15 GLY HA2 H 15 3.933 3.767 0.166 1
1 154 . 1 1 1 A 15 15 GLY HA3 H 15 3.933 3.783 0.150 1
1 155 . 1 1 1 A 15 15 GLY C C 15 173.776 175.299 -1.523 1
1 156 . 1 1 1 A 15 15 GLY CA C 15 45.407 47.246 -1.839 1
1 157 . 1 1 1 A 15 15 GLY N N 15 110.724 107.655 3.069 1
1 158 . 1 1 1 A 16 16 ALA H H 16 8.160 7.622 0.538 1
1 159 . 1 1 1 A 16 16 ALA HA H 16 4.302 4.317 -0.015 1
1 163 . 1 1 1 A 16 16 ALA C C 16 178.147 177.181 0.966 1
1 164 . 1 1 1 A 16 16 ALA CA C 16 53.034 52.471 0.563 1
1 165 . 1 1 1 A 16 16 ALA CB C 16 19.392 19.176 0.216 1
1 166 . 1 1 1 A 16 16 ALA N N 16 123.489 122.796 0.693 1
1 167 . 1 1 1 A 17 17 GLU H H 17 8.612 8.936 -0.324 1
1 168 . 1 1 1 A 17 17 GLU HA H 17 4.169 5.206 -1.037 1
1 173 . 1 1 1 A 17 17 GLU C C 17 177.000 175.005 1.995 1
1 174 . 1 1 1 A 17 17 GLU CA C 17 57.837 54.739 3.098 1
1 175 . 1 1 1 A 17 17 GLU CB C 17 29.881 33.041 -3.160 1
1 177 . 1 1 1 A 17 17 GLU N N 17 119.373 119.060 0.313 1
1 178 . 1 1 1 A 18 18 GLU H H 18 8.413 8.874 -0.461 1
1 179 . 1 1 1 A 18 18 GLU HA H 18 4.210 5.089 -0.879 1
1 184 . 1 1 1 A 18 18 GLU C C 18 177.015 174.585 2.430 1
1 185 . 1 1 1 A 18 18 GLU CA C 18 57.641 54.994 2.647 1
1 186 . 1 1 1 A 18 18 GLU CB C 18 29.980 33.049 -3.069 1
1 188 . 1 1 1 A 18 18 GLU N N 18 120.184 121.323 -1.139 1
1 189 . 1 1 1 A 19 19 CYS H H 19 8.253 8.799 -0.546 1
1 190 . 1 1 1 A 19 19 CYS HA H 19 4.381 4.884 -0.503 1
1 193 . 1 1 1 A 19 19 CYS C C 19 175.552 173.770 1.782 1
1 194 . 1 1 1 A 19 19 CYS CA C 19 59.819 57.353 2.466 1
1 195 . 1 1 1 A 19 19 CYS CB C 19 27.554 29.589 -2.035 1
1 196 . 1 1 1 A 19 19 CYS N N 19 119.775 123.732 -3.957 1
1 197 . 1 1 1 A 20 20 VAL H H 20 8.051 8.492 -0.441 1
1 198 . 1 1 1 A 20 20 VAL HA H 20 3.939 3.592 0.347 1
1 206 . 1 1 1 A 20 20 VAL C C 20 173.904 174.294 -0.390 1
1 207 . 1 1 1 A 20 20 VAL CA C 20 64.113 63.180 0.933 1
1 208 . 1 1 1 A 20 20 VAL CB C 20 32.316 29.787 2.529 1
1 211 . 1 1 1 A 20 20 VAL N N 20 121.008 124.263 -3.255 1
1 212 . 1 1 1 A 21 21 LEU H H 21 8.190 7.729 0.461 1
1 213 . 1 1 1 A 21 21 LEU HA H 21 4.648 5.096 -0.448 1
1 222 . 1 1 1 A 21 21 LEU CA C 21 54.565 54.110 0.455 1
1 223 . 1 1 1 A 21 21 LEU CB C 21 41.542 44.468 -2.926 1
1 225 . 1 1 1 A 21 21 LEU N N 21 123.470 121.817 1.653 1
1 226 . 1 1 1 A 22 22 GLN H H 22 8.322 8.483 -0.161 1
1 227 . 1 1 1 A 22 22 GLN HA H 22 4.046 4.745 -0.699 1
1 230 . 1 1 1 A 22 22 GLN C C 22 176.428 174.832 1.596 1
1 231 . 1 1 1 A 22 22 GLN CA C 22 56.800 54.311 2.489 1
1 232 . 1 1 1 A 22 22 GLN CB C 22 29.116 32.921 -3.805 1
1 234 . 1 1 1 A 22 22 GLN N N 22 120.999 123.841 -2.842 1
1 236 . 1 1 1 A 23 23 MET H H 23 7.958 8.575 -0.617 1
1 237 . 1 1 1 A 23 23 MET HA H 23 4.487 5.084 -0.597 1
1 245 . 1 1 1 A 23 23 MET C C 23 176.558 175.979 0.579 1
1 246 . 1 1 1 A 23 23 MET CA C 23 55.842 53.639 2.203 1
1 247 . 1 1 1 A 23 23 MET CB C 23 32.712 35.063 -2.351 1
1 250 . 1 1 1 A 23 23 MET N N 23 118.950 117.685 1.265 1
1 251 . 1 1 1 A 24 24 GLY H H 24 8.549 8.682 -0.133 1
1 252 . 1 1 1 A 24 24 GLY HA2 H 24 4.163 4.109 0.054 1
1 253 . 1 1 1 A 24 24 GLY HA3 H 24 3.919 4.118 -0.199 1
1 254 . 1 1 1 A 24 24 GLY C C 24 174.799 174.858 -0.059 1
1 255 . 1 1 1 A 24 24 GLY CA C 24 45.547 44.724 0.823 1
1 256 . 1 1 1 A 24 24 GLY N N 24 110.724 108.643 2.081 1
1 257 . 1 1 1 A 25 25 GLY H H 25 8.216 8.700 -0.484 1
1 258 . 1 1 1 A 25 25 GLY HA2 H 25 4.455 3.881 0.574 1
1 259 . 1 1 1 A 25 25 GLY HA3 H 25 3.921 3.888 0.033 1
1 260 . 1 1 1 A 25 25 GLY C C 25 172.658 174.189 -1.531 1
1 261 . 1 1 1 A 25 25 GLY CA C 25 45.087 46.797 -1.710 1
1 262 . 1 1 1 A 25 25 GLY N N 25 107.443 113.165 -5.722 1
1 263 . 1 1 1 A 26 26 VAL H H 26 8.726 7.747 0.979 1
1 264 . 1 1 1 A 26 26 VAL HA H 26 4.533 4.607 -0.074 1
1 272 . 1 1 1 A 26 26 VAL C C 26 172.923 175.221 -2.298 1
1 273 . 1 1 1 A 26 26 VAL CA C 26 59.864 59.923 -0.059 1
1 274 . 1 1 1 A 26 26 VAL CB C 26 35.551 34.318 1.233 1
1 277 . 1 1 1 A 26 26 VAL N N 26 116.467 116.885 -0.418 1
1 278 . 1 1 1 A 27 27 LEU H H 27 8.201 8.774 -0.573 1
1 279 . 1 1 1 A 27 27 LEU HA H 27 5.057 5.381 -0.324 1
1 289 . 1 1 1 A 27 27 LEU C C 27 176.746 175.530 1.216 1
1 290 . 1 1 1 A 27 27 LEU CA C 27 53.134 52.719 0.415 1
1 291 . 1 1 1 A 27 27 LEU CB C 27 42.926 45.615 -2.689 1
1 294 . 1 1 1 A 27 27 LEU N N 27 124.428 118.829 5.599 1
1 295 . 1 1 1 A 28 28 CYS H H 28 8.902 8.361 0.541 1
1 296 . 1 1 1 A 28 28 CYS HA H 28 4.158 4.114 0.044 1
1 299 . 1 1 1 A 28 28 CYS CA C 28 57.728 57.732 -0.004 1
1 300 . 1 1 1 A 28 28 CYS CB C 28 32.175 28.697 3.478 1
1 301 . 1 1 1 A 28 28 CYS N N 28 127.173 120.062 7.111 1
1 302 . 1 1 1 A 29 29 PRO HA H 29 4.410 4.434 -0.024 1
1 309 . 1 1 1 A 29 29 PRO C C 29 177.459 176.292 1.167 1
1 310 . 1 1 1 A 29 29 PRO CA C 29 62.872 63.643 -0.771 1
1 311 . 1 1 1 A 29 29 PRO CB C 29 32.813 31.725 1.088 1
1 314 . 1 1 1 A 30 30 ARG H H 30 9.132 7.723 1.409 1
1 315 . 1 1 1 A 30 30 ARG HA H 30 4.087 4.476 -0.389 1
1 322 . 1 1 1 A 30 30 ARG CA C 30 55.102 54.234 0.868 1
1 323 . 1 1 1 A 30 30 ARG CB C 30 29.469 29.343 0.126 1
1 326 . 1 1 1 A 30 30 ARG N N 30 127.589 120.713 6.876 1
1 327 . 1 1 1 A 31 31 PRO HA H 31 4.242 4.255 -0.013 1
1 334 . 1 1 1 A 31 31 PRO C C 31 177.828 177.366 0.462 1
1 335 . 1 1 1 A 31 31 PRO CA C 31 64.202 63.639 0.563 1
1 336 . 1 1 1 A 31 31 PRO CB C 31 31.518 31.298 0.220 1
1 339 . 1 1 1 A 32 32 GLY H H 32 8.773 8.781 -0.008 1
1 340 . 1 1 1 A 32 32 GLY HA2 H 32 4.065 3.905 0.160 1
1 341 . 1 1 1 A 32 32 GLY HA3 H 32 3.706 3.905 -0.199 1
1 342 . 1 1 1 A 32 32 GLY C C 32 173.340 174.288 -0.948 1
1 343 . 1 1 1 A 32 32 GLY CA C 32 45.272 45.838 -0.566 1
1 344 . 1 1 1 A 32 32 GLY N N 32 111.942 112.262 -0.320 1
1 345 . 1 1 1 A 33 33 CYS H H 33 7.749 7.773 -0.024 1
1 346 . 1 1 1 A 33 33 CYS HA H 33 4.528 4.399 0.129 1
1 349 . 1 1 1 A 33 33 CYS CA C 33 60.515 58.901 1.614 1
1 350 . 1 1 1 A 33 33 CYS CB C 33 29.641 27.428 2.213 1
1 351 . 1 1 1 A 33 33 CYS N N 33 123.343 120.971 2.372 1
1 352 . 1 1 1 A 34 34 GLY H H 34 8.351 8.847 -0.496 1
1 353 . 1 1 1 A 34 34 GLY HA2 H 34 4.120 3.961 0.159 1
1 354 . 1 1 1 A 34 34 GLY HA3 H 34 3.911 3.974 -0.063 1
1 355 . 1 1 1 A 34 34 GLY C C 34 173.849 173.294 0.555 1
1 356 . 1 1 1 A 34 34 GLY CA C 34 46.225 46.444 -0.219 1
1 357 . 1 1 1 A 34 34 GLY N N 34 106.570 115.018 -8.448 1
1 358 . 1 1 1 A 35 35 ALA H H 35 8.591 7.800 0.791 1
1 359 . 1 1 1 A 35 35 ALA HA H 35 4.091 4.406 -0.315 1
1 363 . 1 1 1 A 35 35 ALA C C 35 176.818 178.635 -1.817 1
1 364 . 1 1 1 A 35 35 ALA CA C 35 53.757 51.722 2.035 1
1 365 . 1 1 1 A 35 35 ALA CB C 35 20.271 18.573 1.698 1
1 366 . 1 1 1 A 35 35 ALA N N 35 125.109 122.715 2.394 1
1 367 . 1 1 1 A 36 36 GLY H H 36 8.348 8.848 -0.500 1
1 368 . 1 1 1 A 36 36 GLY HA2 H 36 4.412 3.965 0.447 1
1 369 . 1 1 1 A 36 36 GLY HA3 H 36 3.479 3.969 -0.490 1
1 370 . 1 1 1 A 36 36 GLY C C 36 177.324 174.276 3.048 1
1 371 . 1 1 1 A 36 36 GLY CA C 36 45.847 45.559 0.288 1
1 372 . 1 1 1 A 36 36 GLY N N 36 106.607 111.558 -4.951 1
1 373 . 1 1 1 A 37 37 LEU H H 37 8.190 7.626 0.564 1
1 374 . 1 1 1 A 37 37 LEU HA H 37 4.753 4.403 0.350 1
1 384 . 1 1 1 A 37 37 LEU C C 37 177.064 176.393 0.671 1
1 385 . 1 1 1 A 37 37 LEU CB C 37 44.730 42.349 2.381 1
1 389 . 1 1 1 A 37 37 LEU N N 37 123.541 118.859 4.682 1
1 390 . 1 1 1 A 38 38 LEU H H 38 8.210 8.252 -0.042 1
1 391 . 1 1 1 A 38 38 LEU HA H 38 4.981 4.399 0.582 1
1 401 . 1 1 1 A 38 38 LEU CA C 38 51.755 53.275 -1.520 1
1 402 . 1 1 1 A 38 38 LEU CB C 38 42.309 42.830 -0.521 1
1 405 . 1 1 1 A 38 38 LEU N N 38 124.280 126.253 -1.973 1
1 406 . 1 1 1 A 39 39 PRO HA H 39 4.600 4.428 0.172 1
1 413 . 1 1 1 A 39 39 PRO C C 39 176.647 176.884 -0.237 1
1 414 . 1 1 1 A 39 39 PRO CA C 39 62.130 62.661 -0.531 1
1 415 . 1 1 1 A 39 39 PRO CB C 39 32.686 31.874 0.812 1
1 418 . 1 1 1 A 40 40 GLU H H 40 8.631 8.508 0.123 1
1 419 . 1 1 1 A 40 40 GLU HA H 40 4.485 4.313 0.172 1
1 424 . 1 1 1 A 40 40 GLU CA C 40 55.067 55.293 -0.226 1
1 425 . 1 1 1 A 40 40 GLU CB C 40 29.310 29.397 -0.087 1
1 426 . 1 1 1 A 40 40 GLU N N 40 122.240 121.005 1.235 1
1 427 . 1 1 1 A 41 41 PRO HA H 41 3.869 4.388 -0.519 1
1 434 . 1 1 1 A 41 41 PRO C C 41 176.908 175.963 0.945 1
1 435 . 1 1 1 A 41 41 PRO CA C 41 64.772 63.934 0.838 1
1 436 . 1 1 1 A 41 41 PRO CB C 41 32.172 31.190 0.982 1
1 439 . 1 1 1 A 42 42 ASP H H 42 8.486 7.843 0.643 1
1 440 . 1 1 1 A 42 42 ASP HA H 42 4.456 4.810 -0.354 1
1 443 . 1 1 1 A 42 42 ASP C C 42 175.265 175.928 -0.663 1
1 444 . 1 1 1 A 42 42 ASP CA C 42 54.480 53.310 1.170 1
1 445 . 1 1 1 A 42 42 ASP CB C 42 40.139 42.630 -2.491 1
1 446 . 1 1 1 A 42 42 ASP N N 42 114.895 120.152 -5.257 1
1 447 . 1 1 1 A 43 43 GLN H H 43 7.280 8.956 -1.676 1
1 448 . 1 1 1 A 43 43 GLN HA H 43 4.420 4.012 0.408 1
1 455 . 1 1 1 A 43 43 GLN CA C 43 54.877 57.869 -2.992 1
1 456 . 1 1 1 A 43 43 GLN CB C 43 30.219 27.957 2.262 1
1 458 . 1 1 1 A 43 43 GLN N N 43 118.523 124.105 -5.582 1
1 460 . 1 1 1 A 44 44 ARG H H 44 8.207 7.678 0.529 1
1 461 . 1 1 1 A 44 44 ARG HA H 44 4.206 4.088 0.118 1
1 468 . 1 1 1 A 44 44 ARG C C 44 175.581 176.976 -1.395 1
1 469 . 1 1 1 A 44 44 ARG CA C 44 58.285 58.926 -0.641 1
1 470 . 1 1 1 A 44 44 ARG CB C 44 32.175 30.078 2.097 1
1 473 . 1 1 1 A 44 44 ARG N N 44 120.127 118.567 1.560 1
1 474 . 1 1 1 A 45 45 LYS H H 45 7.909 7.186 0.723 1
1 475 . 1 1 1 A 45 45 LYS HA H 45 3.985 4.708 -0.723 1
1 484 . 1 1 1 A 45 45 LYS C C 45 174.753 173.899 0.854 1
1 485 . 1 1 1 A 45 45 LYS CA C 45 56.378 55.705 0.673 1
1 486 . 1 1 1 A 45 45 LYS CB C 45 32.190 35.237 -3.047 1
1 490 . 1 1 1 A 45 45 LYS N N 45 118.935 118.186 0.749 1
1 491 . 1 1 1 A 46 46 VAL H H 46 8.574 8.904 -0.330 1
1 492 . 1 1 1 A 46 46 VAL HA H 46 3.870 4.652 -0.782 1
1 500 . 1 1 1 A 46 46 VAL C C 46 173.589 174.655 -1.066 1
1 501 . 1 1 1 A 46 46 VAL CA C 46 60.777 61.031 -0.254 1
1 502 . 1 1 1 A 46 46 VAL CB C 46 32.263 33.908 -1.645 1
1 505 . 1 1 1 A 46 46 VAL N N 46 130.468 126.568 3.900 1
1 506 . 1 1 1 A 47 47 THR H H 47 8.098 8.866 -0.768 1
1 507 . 1 1 1 A 47 47 THR HA H 47 4.864 4.636 0.228 1
1 512 . 1 1 1 A 47 47 THR C C 47 173.666 175.412 -1.746 1
1 513 . 1 1 1 A 47 47 THR CA C 47 61.070 61.780 -0.710 1
1 514 . 1 1 1 A 47 47 THR CB C 47 69.693 69.783 -0.090 1
1 516 . 1 1 1 A 47 47 THR N N 47 120.392 122.218 -1.826 1
1 517 . 1 1 1 A 48 48 CYS H H 48 8.928 9.438 -0.510 1
1 518 . 1 1 1 A 48 48 CYS HA H 48 4.581 4.554 0.027 1
1 521 . 1 1 1 A 48 48 CYS C C 48 174.212 176.843 -2.631 1
1 522 . 1 1 1 A 48 48 CYS CA C 48 59.848 61.261 -1.413 1
1 523 . 1 1 1 A 48 48 CYS CB C 48 29.425 27.524 1.901 1
1 524 . 1 1 1 A 48 48 CYS N N 48 130.472 126.383 4.089 1
1 525 . 1 1 1 A 49 49 GLU H H 49 7.552 8.291 -0.739 1
1 526 . 1 1 1 A 49 49 GLU HA H 49 4.647 4.006 0.641 1
1 531 . 1 1 1 A 49 49 GLU C C 49 175.297 176.759 -1.462 1
1 532 . 1 1 1 A 49 49 GLU CA C 49 55.852 59.588 -3.736 1
1 533 . 1 1 1 A 49 49 GLU CB C 49 31.404 29.476 1.928 1
1 535 . 1 1 1 A 49 49 GLU N N 49 128.705 121.206 7.499 1
1 536 . 1 1 1 A 50 50 GLY H H 50 8.459 8.211 0.248 1
1 537 . 1 1 1 A 50 50 GLY HA2 H 50 4.128 3.879 0.249 1
1 538 . 1 1 1 A 50 50 GLY HA3 H 50 3.916 3.882 0.034 1
1 539 . 1 1 1 A 50 50 GLY C C 50 174.247 174.522 -0.275 1
1 540 . 1 1 1 A 50 50 GLY CA C 50 45.243 47.336 -2.093 1
1 541 . 1 1 1 A 50 50 GLY N N 50 109.953 107.492 2.461 1
1 542 . 1 1 1 A 51 51 GLY H H 51 8.548 8.148 0.400 1
1 543 . 1 1 1 A 51 51 GLY HA2 H 51 3.991 4.000 -0.009 1
1 544 . 1 1 1 A 51 51 GLY HA3 H 51 3.991 4.000 -0.009 1
1 545 . 1 1 1 A 51 51 GLY C C 51 174.381 174.701 -0.320 1
1 546 . 1 1 1 A 51 51 GLY CA C 51 45.714 45.500 0.214 1
1 547 . 1 1 1 A 51 51 GLY N N 51 109.074 108.666 0.408 1
1 548 . 1 1 1 A 52 52 ASN H H 52 8.740 7.989 0.751 1
1 549 . 1 1 1 A 52 52 ASN HA H 52 4.566 4.867 -0.301 1
1 554 . 1 1 1 A 52 52 ASN C C 52 175.686 176.114 -0.428 1
1 555 . 1 1 1 A 52 52 ASN CA C 52 53.618 53.735 -0.117 1
1 556 . 1 1 1 A 52 52 ASN CB C 52 38.009 39.650 -1.641 1
1 557 . 1 1 1 A 52 52 ASN N N 52 118.415 119.276 -0.861 1
1 559 . 1 1 1 A 53 53 GLY H H 53 8.367 8.604 -0.237 1
1 560 . 1 1 1 A 53 53 GLY HA2 H 53 4.101 3.875 0.226 1
1 561 . 1 1 1 A 53 53 GLY HA3 H 53 3.808 3.877 -0.069 1
1 562 . 1 1 1 A 53 53 GLY C C 53 174.323 174.543 -0.220 1
1 563 . 1 1 1 A 53 53 GLY CA C 53 45.675 46.900 -1.225 1
1 564 . 1 1 1 A 53 53 GLY N N 53 107.419 109.940 -2.521 1
1 565 . 1 1 1 A 54 54 LEU H H 54 7.703 7.968 -0.265 1
1 566 . 1 1 1 A 54 54 LEU HA H 54 4.405 4.428 -0.023 1
1 576 . 1 1 1 A 54 54 LEU C C 54 177.359 177.499 -0.140 1
1 577 . 1 1 1 A 54 54 LEU CA C 54 55.162 55.025 0.137 1
1 578 . 1 1 1 A 54 54 LEU CB C 54 42.742 43.202 -0.460 1
1 582 . 1 1 1 A 54 54 LEU N N 54 121.020 116.873 4.147 1
1 583 . 1 1 1 A 55 55 GLY H H 55 8.265 7.817 0.448 1
1 584 . 1 1 1 A 55 55 GLY HA2 H 55 4.112 3.872 0.240 1
1 585 . 1 1 1 A 55 55 GLY HA3 H 55 4.112 3.882 0.230 1
1 586 . 1 1 1 A 55 55 GLY C C 55 174.453 174.960 -0.507 1
1 587 . 1 1 1 A 55 55 GLY CA C 55 45.438 45.883 -0.445 1
1 588 . 1 1 1 A 55 55 GLY N N 55 109.910 106.197 3.713 1
1 589 . 1 1 1 A 56 56 CYS H H 56 10.071 8.814 1.257 1
1 590 . 1 1 1 A 56 56 CYS HA H 56 4.928 4.444 0.484 1
1 593 . 1 1 1 A 56 56 CYS C C 56 177.993 175.054 2.939 1
1 594 . 1 1 1 A 56 56 CYS CA C 56 59.541 59.731 -0.190 1
1 595 . 1 1 1 A 56 56 CYS CB C 56 32.099 28.276 3.823 1
1 596 . 1 1 1 A 56 56 CYS N N 56 124.504 123.149 1.355 1
1 597 . 1 1 1 A 57 57 GLY H H 57 9.174 8.397 0.777 1
1 598 . 1 1 1 A 57 57 GLY HA2 H 57 4.313 3.961 0.352 1
1 599 . 1 1 1 A 57 57 GLY HA3 H 57 3.668 3.976 -0.308 1
1 600 . 1 1 1 A 57 57 GLY C C 57 173.686 173.608 0.078 1
1 601 . 1 1 1 A 57 57 GLY CA C 57 45.860 45.232 0.628 1
1 602 . 1 1 1 A 57 57 GLY N N 57 114.428 108.729 5.699 1
1 603 . 1 1 1 A 58 58 PHE H H 58 9.036 7.813 1.223 1
1 604 . 1 1 1 A 58 58 PHE HA H 58 4.623 4.820 -0.197 1
1 611 . 1 1 1 A 58 58 PHE C C 58 173.896 174.758 -0.862 1
1 612 . 1 1 1 A 58 58 PHE CA C 58 58.969 56.041 2.928 1
1 613 . 1 1 1 A 58 58 PHE CB C 58 41.132 41.348 -0.216 1
1 614 . 1 1 1 A 58 58 PHE N N 58 125.130 120.762 4.368 1
1 615 . 1 1 1 A 59 59 ALA H H 59 7.570 8.308 -0.738 1
1 616 . 1 1 1 A 59 59 ALA HA H 59 5.486 4.871 0.615 1
1 620 . 1 1 1 A 59 59 ALA C C 59 176.469 177.745 -1.276 1
1 621 . 1 1 1 A 59 59 ALA CA C 59 49.817 52.514 -2.697 1
1 622 . 1 1 1 A 59 59 ALA CB C 59 19.826 19.475 0.351 1
1 623 . 1 1 1 A 59 59 ALA N N 59 128.638 129.237 -0.599 1
1 624 . 1 1 1 A 60 60 PHE H H 60 9.387 8.509 0.878 1
1 625 . 1 1 1 A 60 60 PHE HA H 60 5.204 5.627 -0.423 1
1 632 . 1 1 1 A 60 60 PHE C C 60 172.955 172.634 0.321 1
1 633 . 1 1 1 A 60 60 PHE CA C 60 54.353 55.269 -0.916 1
1 634 . 1 1 1 A 60 60 PHE CB C 60 42.246 41.625 0.621 1
1 637 . 1 1 1 A 60 60 PHE N N 60 121.410 116.854 4.556 1
1 638 . 1 1 1 A 61 61 CYS H H 61 8.772 9.008 -0.236 1
1 639 . 1 1 1 A 61 61 CYS HA H 61 4.754 4.632 0.122 1
1 642 . 1 1 1 A 61 61 CYS C C 61 177.353 175.143 2.210 1
1 643 . 1 1 1 A 61 61 CYS CA C 61 58.032 57.324 0.708 1
1 644 . 1 1 1 A 61 61 CYS CB C 61 32.242 29.158 3.084 1
1 645 . 1 1 1 A 61 61 CYS N N 61 120.610 120.377 0.233 1
1 646 . 1 1 1 A 62 62 ARG H H 62 9.535 8.524 1.011 1
1 647 . 1 1 1 A 62 62 ARG HA H 62 4.027 3.964 0.063 1
1 654 . 1 1 1 A 62 62 ARG C C 62 175.657 177.560 -1.903 1
1 655 . 1 1 1 A 62 62 ARG CA C 62 59.330 59.038 0.292 1
1 656 . 1 1 1 A 62 62 ARG CB C 62 31.196 30.002 1.194 1
1 659 . 1 1 1 A 62 62 ARG N N 62 130.041 127.888 2.153 1
1 660 . 1 1 1 A 63 63 GLU H H 63 8.721 7.916 0.805 1
1 661 . 1 1 1 A 63 63 GLU HA H 63 4.394 4.128 0.266 1
1 666 . 1 1 1 A 63 63 GLU C C 63 177.341 178.079 -0.738 1
1 667 . 1 1 1 A 63 63 GLU CA C 63 58.404 59.046 -0.642 1
1 668 . 1 1 1 A 63 63 GLU CB C 63 30.501 29.354 1.147 1
1 670 . 1 1 1 A 63 63 GLU N N 63 118.534 118.822 -0.288 1
1 671 . 1 1 1 A 64 64 CYS H H 64 8.050 7.762 0.288 1
1 672 . 1 1 1 A 64 64 CYS HA H 64 4.962 4.476 0.486 1
1 675 . 1 1 1 A 64 64 CYS C C 64 176.019 175.435 0.584 1
1 676 . 1 1 1 A 64 64 CYS CA C 64 58.858 58.274 0.584 1
1 677 . 1 1 1 A 64 64 CYS CB C 64 32.103 27.194 4.909 1
1 678 . 1 1 1 A 64 64 CYS N N 64 116.495 114.771 1.724 1
1 679 . 1 1 1 A 65 65 LYS H H 65 8.489 8.107 0.382 1
1 680 . 1 1 1 A 65 65 LYS HA H 65 4.191 4.402 -0.211 1
1 687 . 1 1 1 A 65 65 LYS C C 65 174.742 175.373 -0.631 1
1 688 . 1 1 1 A 65 65 LYS CA C 65 58.883 57.248 1.635 1
1 689 . 1 1 1 A 65 65 LYS CB C 65 28.865 30.156 -1.291 1
1 693 . 1 1 1 A 65 65 LYS N N 65 117.320 120.244 -2.924 1
1 694 . 1 1 1 A 66 66 GLU H H 66 8.272 7.398 0.874 1
1 695 . 1 1 1 A 66 66 GLU HA H 66 4.721 4.953 -0.232 1
1 700 . 1 1 1 A 66 66 GLU C C 66 175.422 175.758 -0.336 1
1 701 . 1 1 1 A 66 66 GLU CA C 66 55.285 54.502 0.783 1
1 702 . 1 1 1 A 66 66 GLU CB C 66 31.666 33.081 -1.415 1
1 704 . 1 1 1 A 66 66 GLU N N 66 117.719 119.249 -1.530 1
1 705 . 1 1 1 A 67 67 ALA H H 67 8.766 8.452 0.314 1
1 706 . 1 1 1 A 67 67 ALA HA H 67 4.177 4.462 -0.285 1
1 710 . 1 1 1 A 67 67 ALA C C 67 177.459 177.075 0.384 1
1 711 . 1 1 1 A 67 67 ALA CA C 67 53.019 53.185 -0.166 1
1 712 . 1 1 1 A 67 67 ALA CB C 67 18.548 19.159 -0.611 1
1 713 . 1 1 1 A 67 67 ALA N N 67 120.597 124.575 -3.978 1
1 714 . 1 1 1 A 68 68 TYR H H 68 8.061 8.853 -0.792 1
1 715 . 1 1 1 A 68 68 TYR HA H 68 4.531 4.401 0.130 1
1 722 . 1 1 1 A 68 68 TYR CA C 68 58.242 59.667 -1.425 1
1 723 . 1 1 1 A 68 68 TYR CB C 68 38.531 38.900 -0.369 1
1 728 . 1 1 1 A 68 68 TYR N N 68 120.592 124.608 -4.016 1
1 729 . 1 1 1 A 69 69 HIS HA H 69 4.643 5.570 -0.927 1
1 734 . 1 1 1 A 69 69 HIS C C 69 173.158 175.813 -2.655 1
1 735 . 1 1 1 A 69 69 HIS CA C 69 51.310 53.582 -2.272 1
1 736 . 1 1 1 A 69 69 HIS CB C 69 32.038 32.666 -0.628 1
1 739 . 1 1 1 A 70 70 GLU H H 70 8.796 9.179 -0.383 1
1 740 . 1 1 1 A 70 70 GLU HA H 70 4.238 4.537 -0.299 1
1 745 . 1 1 1 A 70 70 GLU C C 70 178.838 176.606 2.232 1
1 746 . 1 1 1 A 70 70 GLU CA C 70 55.450 56.884 -1.434 1
1 747 . 1 1 1 A 70 70 GLU CB C 70 30.527 30.190 0.337 1
1 749 . 1 1 1 A 70 70 GLU N N 70 120.194 119.214 0.980 1
1 750 . 1 1 1 A 71 71 GLY H H 71 8.876 7.869 1.007 1
1 751 . 1 1 1 A 71 71 GLY HA2 H 71 4.082 3.979 0.103 1
1 752 . 1 1 1 A 71 71 GLY HA3 H 71 3.910 4.032 -0.122 1
1 753 . 1 1 1 A 71 71 GLY C C 71 173.634 172.931 0.703 1
1 754 . 1 1 1 A 71 71 GLY CA C 71 45.615 44.670 0.945 1
1 755 . 1 1 1 A 71 71 GLY N N 71 111.118 108.845 2.273 1
1 756 . 1 1 1 A 72 72 GLU H H 72 8.391 8.649 -0.258 1
1 757 . 1 1 1 A 72 72 GLU HA H 72 4.360 4.775 -0.415 1
1 762 . 1 1 1 A 72 72 GLU C C 72 177.319 175.895 1.424 1
1 763 . 1 1 1 A 72 72 GLU CA C 72 56.571 54.306 2.265 1
1 764 . 1 1 1 A 72 72 GLU CB C 72 30.411 33.378 -2.967 1
1 766 . 1 1 1 A 72 72 GLU N N 72 118.939 119.548 -0.609 1
1 767 . 1 1 1 A 73 73 CYS H H 73 8.574 8.887 -0.313 1
1 768 . 1 1 1 A 73 73 CYS HA H 73 3.770 4.300 -0.530 1
1 771 . 1 1 1 A 73 73 CYS C C 73 176.052 177.004 -0.952 1
1 772 . 1 1 1 A 73 73 CYS CA C 73 60.416 62.819 -2.403 1
1 773 . 1 1 1 A 73 73 CYS CB C 73 30.793 28.064 2.729 1
1 774 . 1 1 1 A 73 73 CYS N N 73 123.479 121.187 2.292 1
1 775 . 1 1 1 A 74 74 SER H H 74 8.541 7.897 0.644 1
1 776 . 1 1 1 A 74 74 SER HA H 74 4.288 4.507 -0.219 1
1 779 . 1 1 1 A 74 74 SER C C 74 174.140 173.497 0.643 1
1 780 . 1 1 1 A 74 74 SER CA C 74 58.591 60.196 -1.605 1
1 781 . 1 1 1 A 74 74 SER CB C 74 63.626 64.146 -0.520 1
1 782 . 1 1 1 A 74 74 SER N N 74 117.297 114.944 2.353 1
1 783 . 1 1 1 A 75 75 ALA H H 75 8.092 7.688 0.404 1
1 784 . 1 1 1 A 75 75 ALA HA H 75 4.312 4.598 -0.286 1
1 788 . 1 1 1 A 75 75 ALA C C 75 177.173 175.762 1.411 1
1 789 . 1 1 1 A 75 75 ALA CA C 75 52.403 51.313 1.090 1
1 790 . 1 1 1 A 75 75 ALA CB C 75 19.546 23.049 -3.503 1
1 791 . 1 1 1 A 75 75 ALA N N 75 125.952 120.566 5.386 1
1 792 . 1 1 1 A 76 76 VAL H H 76 7.934 8.343 -0.409 1
1 793 . 1 1 1 A 76 76 VAL HA H 76 4.028 4.181 -0.153 1
1 801 . 1 1 1 A 76 76 VAL C C 76 175.784 174.705 1.079 1
1 802 . 1 1 1 A 76 76 VAL CA C 76 62.265 62.681 -0.416 1
1 803 . 1 1 1 A 76 76 VAL CB C 76 32.893 32.886 0.007 1
1 806 . 1 1 1 A 76 76 VAL N N 76 118.959 122.556 -3.597 1
1 807 . 1 1 1 A 77 77 PHE H H 77 8.283 8.929 -0.646 1
1 808 . 1 1 1 A 77 77 PHE HA H 77 4.670 5.291 -0.621 1
1 813 . 1 1 1 A 77 77 PHE C C 77 175.335 174.010 1.325 1
1 814 . 1 1 1 A 77 77 PHE CA C 77 57.588 56.416 1.172 1
1 815 . 1 1 1 A 77 77 PHE CB C 77 39.899 43.044 -3.145 1
1 818 . 1 1 1 A 77 77 PHE N N 77 124.298 126.939 -2.641 1
1 819 . 1 1 1 A 78 78 GLU H H 78 8.262 7.972 0.290 1
1 820 . 1 1 1 A 78 78 GLU HA H 78 4.251 4.705 -0.454 1
1 825 . 1 1 1 A 78 78 GLU C C 78 175.451 175.736 -0.285 1
1 826 . 1 1 1 A 78 78 GLU CA C 78 56.179 55.710 0.469 1
1 827 . 1 1 1 A 78 78 GLU CB C 78 30.676 33.432 -2.756 1
1 829 . 1 1 1 A 78 78 GLU N N 78 123.482 125.653 -2.171 1
1 830 . 1 1 1 A 79 79 ALA H H 79 8.279 8.828 -0.549 1
1 831 . 1 1 1 A 79 79 ALA HA H 79 4.341 4.098 0.243 1
1 835 . 1 1 1 A 79 79 ALA C C 79 176.767 179.509 -2.742 1
1 836 . 1 1 1 A 79 79 ALA CA C 79 52.512 55.511 -2.999 1
1 837 . 1 1 1 A 79 79 ALA CB C 79 19.493 18.202 1.291 1
1 838 . 1 1 1 A 79 79 ALA N N 79 126.363 125.999 0.364 1
1 6 . 2 1 1 A 2 2 HIS H H 2 7.929 8.197 -0.268 1
1 9 . 2 1 1 A 2 2 HIS CB C 2 31.017 31.996 -0.979 1
1 12 . 2 1 1 A 2 2 HIS N N 2 118.946 118.856 0.090 1
1 13 . 2 1 1 A 3 3 MET HA H 3 4.537 4.079 0.458 1
1 16 . 2 1 1 A 3 3 MET C C 3 176.240 176.471 -0.231 1
1 17 . 2 1 1 A 3 3 MET CA C 3 55.681 58.200 -2.519 1
1 18 . 2 1 1 A 3 3 MET CB C 3 33.063 33.161 -0.098 1
1 20 . 2 1 1 A 4 4 GLY H H 4 8.155 7.861 0.294 1
1 21 . 2 1 1 A 4 4 GLY HA2 H 4 4.031 4.079 -0.048 1
1 22 . 2 1 1 A 4 4 GLY HA3 H 4 4.031 4.079 -0.048 1
1 23 . 2 1 1 A 4 4 GLY C C 4 174.348 174.314 0.034 1
1 24 . 2 1 1 A 4 4 GLY CA C 4 45.418 45.305 0.113 1
1 25 . 2 1 1 A 4 4 GLY N N 4 108.673 106.249 2.424 1
1 26 . 2 1 1 A 5 5 GLU H H 5 8.351 8.336 0.015 1
1 27 . 2 1 1 A 5 5 GLU HA H 5 4.275 4.399 -0.124 1
1 32 . 2 1 1 A 5 5 GLU C C 5 177.037 176.245 0.792 1
1 33 . 2 1 1 A 5 5 GLU CA C 5 57.098 56.471 0.627 1
1 34 . 2 1 1 A 5 5 GLU CB C 5 30.282 29.974 0.308 1
1 36 . 2 1 1 A 5 5 GLU N N 5 120.605 121.800 -1.195 1
1 37 . 2 1 1 A 6 6 GLU H H 6 8.641 8.471 0.170 1
1 38 . 2 1 1 A 6 6 GLU HA H 6 4.248 4.716 -0.468 1
1 43 . 2 1 1 A 6 6 GLU C C 6 176.799 174.858 1.941 1
1 44 . 2 1 1 A 6 6 GLU CA C 6 57.344 55.189 2.155 1
1 45 . 2 1 1 A 6 6 GLU CB C 6 29.842 33.848 -4.006 1
1 47 . 2 1 1 A 6 6 GLU N N 6 121.425 123.258 -1.833 1
1 48 . 2 1 1 A 7 7 GLN H H 7 8.304 8.540 -0.236 1
1 53 . 2 1 1 A 7 7 GLN C C 7 175.537 173.606 1.931 1
1 54 . 2 1 1 A 7 7 GLN CA C 7 56.292 53.466 2.826 1
1 55 . 2 1 1 A 7 7 GLN CB C 7 29.164 32.605 -3.441 1
1 57 . 2 1 1 A 7 7 GLN N N 7 120.185 117.767 2.418 1
1 59 . 2 1 1 A 8 8 TYR H H 8 8.221 7.666 0.555 1
1 60 . 2 1 1 A 8 8 TYR HA H 8 4.606 5.375 -0.769 1
1 67 . 2 1 1 A 8 8 TYR C C 8 175.728 175.205 0.523 1
1 68 . 2 1 1 A 8 8 TYR CA C 8 58.138 55.787 2.351 1
1 69 . 2 1 1 A 8 8 TYR CB C 8 38.766 40.659 -1.893 1
1 70 . 2 1 1 A 8 8 TYR N N 8 120.918 118.107 2.811 1
1 71 . 2 1 1 A 9 9 ASN H H 9 8.288 8.824 -0.536 1
1 72 . 2 1 1 A 9 9 ASN HA H 9 4.654 4.949 -0.295 1
1 77 . 2 1 1 A 9 9 ASN C C 9 175.439 175.932 -0.493 1
1 78 . 2 1 1 A 9 9 ASN CA C 9 53.435 53.974 -0.539 1
1 79 . 2 1 1 A 9 9 ASN CB C 9 38.790 40.559 -1.769 1
1 80 . 2 1 1 A 9 9 ASN N N 9 120.180 120.023 0.157 1
1 82 . 2 1 1 A 10 10 ARG H H 10 8.128 7.791 0.337 1
1 83 . 2 1 1 A 10 10 ARG HA H 10 4.171 4.391 -0.220 1
1 90 . 2 1 1 A 10 10 ARG C C 10 176.244 175.262 0.982 1
1 91 . 2 1 1 A 10 10 ARG CA C 10 57.023 55.405 1.618 1
1 92 . 2 1 1 A 10 10 ARG CB C 10 30.535 31.057 -0.522 1
1 95 . 2 1 1 A 10 10 ARG N N 10 121.014 118.237 2.777 1
1 96 . 2 1 1 A 11 11 TYR H H 11 8.108 8.836 -0.728 1
1 97 . 2 1 1 A 11 11 TYR HA H 11 4.543 4.712 -0.169 1
1 104 . 2 1 1 A 11 11 TYR C C 11 175.929 175.778 0.151 1
1 105 . 2 1 1 A 11 11 TYR CA C 11 58.219 58.496 -0.277 1
1 106 . 2 1 1 A 11 11 TYR CB C 11 38.365 39.859 -1.494 1
1 107 . 2 1 1 A 11 11 TYR N N 11 119.776 124.379 -4.603 1
1 108 . 2 1 1 A 12 12 GLN H H 12 8.050 9.132 -1.082 1
1 109 . 2 1 1 A 12 12 GLN HA H 12 4.269 3.974 0.295 1
1 116 . 2 1 1 A 12 12 GLN C C 12 175.917 174.843 1.074 1
1 117 . 2 1 1 A 12 12 GLN CA C 12 56.240 56.939 -0.699 1
1 118 . 2 1 1 A 12 12 GLN CB C 12 29.463 26.881 2.582 1
1 120 . 2 1 1 A 12 12 GLN N N 12 120.992 118.159 2.833 1
1 122 . 2 1 1 A 13 13 GLN H H 13 8.065 7.949 0.116 1
1 123 . 2 1 1 A 13 13 GLN HA H 13 4.202 4.318 -0.116 1
1 130 . 2 1 1 A 13 13 GLN C C 13 175.644 175.150 0.494 1
1 131 . 2 1 1 A 13 13 GLN CA C 13 56.242 56.419 -0.177 1
1 132 . 2 1 1 A 13 13 GLN CB C 13 29.394 30.627 -1.233 1
1 134 . 2 1 1 A 13 13 GLN N N 13 120.539 118.145 2.394 1
1 136 . 2 1 1 A 14 14 TYR H H 14 8.212 9.194 -0.982 1
1 137 . 2 1 1 A 14 14 TYR HA H 14 4.572 4.621 -0.049 1
1 144 . 2 1 1 A 14 14 TYR C C 14 176.382 175.885 0.497 1
1 145 . 2 1 1 A 14 14 TYR CA C 14 57.958 59.582 -1.624 1
1 146 . 2 1 1 A 14 14 TYR CB C 14 38.983 40.242 -1.259 1
1 151 . 2 1 1 A 14 14 TYR N N 14 120.582 125.233 -4.651 1
1 152 . 2 1 1 A 15 15 GLY H H 15 8.405 7.961 0.444 1
1 153 . 2 1 1 A 15 15 GLY HA2 H 15 3.933 4.012 -0.079 1
1 154 . 2 1 1 A 15 15 GLY HA3 H 15 3.933 4.018 -0.085 1
1 155 . 2 1 1 A 15 15 GLY C C 15 173.776 173.842 -0.066 1
1 156 . 2 1 1 A 15 15 GLY CA C 15 45.407 45.607 -0.200 1
1 157 . 2 1 1 A 15 15 GLY N N 15 110.724 105.965 4.759 1
1 158 . 2 1 1 A 16 16 ALA H H 16 8.160 7.744 0.416 1
1 159 . 2 1 1 A 16 16 ALA HA H 16 4.302 4.885 -0.583 1
1 163 . 2 1 1 A 16 16 ALA C C 16 178.147 175.246 2.901 1
1 164 . 2 1 1 A 16 16 ALA CA C 16 53.034 50.826 2.208 1
1 165 . 2 1 1 A 16 16 ALA CB C 16 19.392 22.276 -2.884 1
1 166 . 2 1 1 A 16 16 ALA N N 16 123.489 122.446 1.043 1
1 167 . 2 1 1 A 17 17 GLU H H 17 8.612 8.957 -0.345 1
1 168 . 2 1 1 A 17 17 GLU HA H 17 4.169 4.982 -0.813 1
1 173 . 2 1 1 A 17 17 GLU C C 17 177.000 175.435 1.565 1
1 174 . 2 1 1 A 17 17 GLU CA C 17 57.837 54.739 3.098 1
1 175 . 2 1 1 A 17 17 GLU CB C 17 29.881 32.441 -2.560 1
1 177 . 2 1 1 A 17 17 GLU N N 17 119.373 123.121 -3.748 1
1 178 . 2 1 1 A 18 18 GLU H H 18 8.413 8.929 -0.516 1
1 179 . 2 1 1 A 18 18 GLU HA H 18 4.210 4.612 -0.402 1
1 184 . 2 1 1 A 18 18 GLU C C 18 177.015 175.492 1.523 1
1 185 . 2 1 1 A 18 18 GLU CA C 18 57.641 56.711 0.930 1
1 186 . 2 1 1 A 18 18 GLU CB C 18 29.980 30.166 -0.186 1
1 188 . 2 1 1 A 18 18 GLU N N 18 120.184 125.966 -5.782 1
1 189 . 2 1 1 A 19 19 CYS H H 19 8.253 8.760 -0.507 1
1 190 . 2 1 1 A 19 19 CYS HA H 19 4.381 4.912 -0.531 1
1 193 . 2 1 1 A 19 19 CYS C C 19 175.552 173.754 1.798 1
1 194 . 2 1 1 A 19 19 CYS CA C 19 59.819 57.398 2.421 1
1 195 . 2 1 1 A 19 19 CYS CB C 19 27.554 29.438 -1.884 1
1 196 . 2 1 1 A 19 19 CYS N N 19 119.775 124.510 -4.735 1
1 197 . 2 1 1 A 20 20 VAL H H 20 8.051 8.504 -0.453 1
1 198 . 2 1 1 A 20 20 VAL HA H 20 3.939 3.601 0.338 1
1 206 . 2 1 1 A 20 20 VAL C C 20 173.904 175.229 -1.325 1
1 207 . 2 1 1 A 20 20 VAL CA C 20 64.113 63.115 0.998 1
1 208 . 2 1 1 A 20 20 VAL CB C 20 32.316 29.768 2.548 1
1 211 . 2 1 1 A 20 20 VAL N N 20 121.008 124.758 -3.750 1
1 212 . 2 1 1 A 21 21 LEU H H 21 8.190 7.856 0.334 1
1 213 . 2 1 1 A 21 21 LEU HA H 21 4.648 4.340 0.308 1
1 222 . 2 1 1 A 21 21 LEU CA C 21 54.565 54.465 0.100 1
1 223 . 2 1 1 A 21 21 LEU CB C 21 41.542 42.354 -0.812 1
1 225 . 2 1 1 A 21 21 LEU N N 21 123.470 122.076 1.394 1
1 226 . 2 1 1 A 22 22 GLN H H 22 8.322 9.069 -0.747 1
1 227 . 2 1 1 A 22 22 GLN HA H 22 4.046 4.494 -0.448 1
1 230 . 2 1 1 A 22 22 GLN C C 22 176.428 177.652 -1.224 1
1 231 . 2 1 1 A 22 22 GLN CA C 22 56.800 57.878 -1.078 1
1 232 . 2 1 1 A 22 22 GLN CB C 22 29.116 29.845 -0.729 1
1 234 . 2 1 1 A 22 22 GLN N N 22 120.999 122.011 -1.012 1
1 236 . 2 1 1 A 23 23 MET H H 23 7.958 8.032 -0.074 1
1 237 . 2 1 1 A 23 23 MET HA H 23 4.487 4.589 -0.102 1
1 245 . 2 1 1 A 23 23 MET C C 23 176.558 176.826 -0.268 1
1 246 . 2 1 1 A 23 23 MET CA C 23 55.842 57.166 -1.324 1
1 247 . 2 1 1 A 23 23 MET CB C 23 32.712 33.403 -0.691 1
1 250 . 2 1 1 A 23 23 MET N N 23 118.950 116.593 2.357 1
1 251 . 2 1 1 A 24 24 GLY H H 24 8.549 7.919 0.630 1
1 252 . 2 1 1 A 24 24 GLY HA2 H 24 4.163 3.649 0.514 1
1 253 . 2 1 1 A 24 24 GLY HA3 H 24 3.919 3.653 0.266 1
1 254 . 2 1 1 A 24 24 GLY C C 24 174.799 175.606 -0.807 1
1 255 . 2 1 1 A 24 24 GLY CA C 24 45.547 46.978 -1.431 1
1 256 . 2 1 1 A 24 24 GLY N N 24 110.724 107.324 3.400 1
1 257 . 2 1 1 A 25 25 GLY H H 25 8.216 8.525 -0.309 1
1 258 . 2 1 1 A 25 25 GLY HA2 H 25 4.455 4.187 0.268 1
1 259 . 2 1 1 A 25 25 GLY HA3 H 25 3.921 4.196 -0.275 1
1 260 . 2 1 1 A 25 25 GLY C C 25 172.658 173.343 -0.685 1
1 261 . 2 1 1 A 25 25 GLY CA C 25 45.087 44.746 0.341 1
1 262 . 2 1 1 A 25 25 GLY N N 25 107.443 114.455 -7.012 1
1 263 . 2 1 1 A 26 26 VAL H H 26 8.726 8.533 0.193 1
1 264 . 2 1 1 A 26 26 VAL HA H 26 4.533 4.962 -0.429 1
1 272 . 2 1 1 A 26 26 VAL C C 26 172.923 174.498 -1.575 1
1 273 . 2 1 1 A 26 26 VAL CA C 26 59.864 59.738 0.126 1
1 274 . 2 1 1 A 26 26 VAL CB C 26 35.551 36.451 -0.900 1
1 277 . 2 1 1 A 26 26 VAL N N 26 116.467 120.465 -3.998 1
1 278 . 2 1 1 A 27 27 LEU H H 27 8.201 8.802 -0.601 1
1 279 . 2 1 1 A 27 27 LEU HA H 27 5.057 5.092 -0.035 1
1 289 . 2 1 1 A 27 27 LEU C C 27 176.746 175.268 1.478 1
1 290 . 2 1 1 A 27 27 LEU CA C 27 53.134 53.052 0.082 1
1 291 . 2 1 1 A 27 27 LEU CB C 27 42.926 46.079 -3.153 1
1 294 . 2 1 1 A 27 27 LEU N N 27 124.428 122.591 1.837 1
1 295 . 2 1 1 A 28 28 CYS H H 28 8.902 8.538 0.364 1
1 296 . 2 1 1 A 28 28 CYS HA H 28 4.158 4.520 -0.362 1
1 299 . 2 1 1 A 28 28 CYS CA C 28 57.728 56.837 0.891 1
1 300 . 2 1 1 A 28 28 CYS CB C 28 32.175 28.725 3.450 1
1 301 . 2 1 1 A 28 28 CYS N N 28 127.173 119.478 7.695 1
1 302 . 2 1 1 A 29 29 PRO HA H 29 4.410 4.473 -0.063 1
1 309 . 2 1 1 A 29 29 PRO C C 29 177.459 176.345 1.114 1
1 310 . 2 1 1 A 29 29 PRO CA C 29 62.872 64.176 -1.304 1
1 311 . 2 1 1 A 29 29 PRO CB C 29 32.813 31.587 1.226 1
1 314 . 2 1 1 A 30 30 ARG H H 30 9.132 7.700 1.432 1
1 315 . 2 1 1 A 30 30 ARG HA H 30 4.087 4.418 -0.331 1
1 322 . 2 1 1 A 30 30 ARG CA C 30 55.102 54.733 0.369 1
1 323 . 2 1 1 A 30 30 ARG CB C 30 29.469 29.727 -0.258 1
1 326 . 2 1 1 A 30 30 ARG N N 30 127.589 120.717 6.872 1
1 327 . 2 1 1 A 31 31 PRO HA H 31 4.242 4.335 -0.093 1
1 334 . 2 1 1 A 31 31 PRO C C 31 177.828 177.463 0.365 1
1 335 . 2 1 1 A 31 31 PRO CA C 31 64.202 63.423 0.779 1
1 336 . 2 1 1 A 31 31 PRO CB C 31 31.518 30.603 0.915 1
1 339 . 2 1 1 A 32 32 GLY H H 32 8.773 8.439 0.334 1
1 340 . 2 1 1 A 32 32 GLY HA2 H 32 4.065 3.943 0.122 1
1 341 . 2 1 1 A 32 32 GLY HA3 H 32 3.706 3.944 -0.238 1
1 342 . 2 1 1 A 32 32 GLY C C 32 173.340 174.954 -1.614 1
1 343 . 2 1 1 A 32 32 GLY CA C 32 45.272 45.538 -0.266 1
1 344 . 2 1 1 A 32 32 GLY N N 32 111.942 112.440 -0.498 1
1 345 . 2 1 1 A 33 33 CYS H H 33 7.749 8.167 -0.418 1
1 346 . 2 1 1 A 33 33 CYS HA H 33 4.528 4.027 0.501 1
1 349 . 2 1 1 A 33 33 CYS CA C 33 60.515 62.428 -1.913 1
1 350 . 2 1 1 A 33 33 CYS CB C 33 29.641 27.464 2.177 1
1 351 . 2 1 1 A 33 33 CYS N N 33 123.343 121.105 2.238 1
1 352 . 2 1 1 A 34 34 GLY H H 34 8.351 7.965 0.386 1
1 353 . 2 1 1 A 34 34 GLY HA2 H 34 4.120 3.877 0.243 1
1 354 . 2 1 1 A 34 34 GLY HA3 H 34 3.911 3.884 0.027 1
1 355 . 2 1 1 A 34 34 GLY C C 34 173.849 175.238 -1.389 1
1 356 . 2 1 1 A 34 34 GLY CA C 34 46.225 46.962 -0.737 1
1 357 . 2 1 1 A 34 34 GLY N N 34 106.570 107.917 -1.347 1
1 358 . 2 1 1 A 35 35 ALA H H 35 8.591 8.152 0.439 1
1 359 . 2 1 1 A 35 35 ALA HA H 35 4.091 4.048 0.043 1
1 363 . 2 1 1 A 35 35 ALA C C 35 176.818 178.215 -1.397 1
1 364 . 2 1 1 A 35 35 ALA CA C 35 53.757 54.904 -1.147 1
1 365 . 2 1 1 A 35 35 ALA CB C 35 20.271 18.761 1.510 1
1 366 . 2 1 1 A 35 35 ALA N N 35 125.109 122.881 2.228 1
1 367 . 2 1 1 A 36 36 GLY H H 36 8.348 8.253 0.095 1
1 368 . 2 1 1 A 36 36 GLY HA2 H 36 4.412 3.917 0.495 1
1 369 . 2 1 1 A 36 36 GLY HA3 H 36 3.479 3.920 -0.441 1
1 370 . 2 1 1 A 36 36 GLY C C 36 177.324 173.616 3.708 1
1 371 . 2 1 1 A 36 36 GLY CA C 36 45.847 47.105 -1.258 1
1 372 . 2 1 1 A 36 36 GLY N N 36 106.607 106.552 0.055 1
1 373 . 2 1 1 A 37 37 LEU H H 37 8.190 7.734 0.456 1
1 374 . 2 1 1 A 37 37 LEU HA H 37 4.753 5.042 -0.289 1
1 384 . 2 1 1 A 37 37 LEU C C 37 177.064 175.684 1.380 1
1 385 . 2 1 1 A 37 37 LEU CB C 37 44.730 45.131 -0.401 1
1 389 . 2 1 1 A 37 37 LEU N N 37 123.541 115.234 8.307 1
1 390 . 2 1 1 A 38 38 LEU H H 38 8.210 8.620 -0.410 1
1 391 . 2 1 1 A 38 38 LEU HA H 38 4.981 4.378 0.603 1
1 401 . 2 1 1 A 38 38 LEU CA C 38 51.755 53.341 -1.586 1
1 402 . 2 1 1 A 38 38 LEU CB C 38 42.309 43.008 -0.699 1
1 405 . 2 1 1 A 38 38 LEU N N 38 124.280 125.848 -1.568 1
1 406 . 2 1 1 A 39 39 PRO HA H 39 4.600 4.456 0.144 1
1 413 . 2 1 1 A 39 39 PRO C C 39 176.647 176.918 -0.271 1
1 414 . 2 1 1 A 39 39 PRO CA C 39 62.130 62.675 -0.545 1
1 415 . 2 1 1 A 39 39 PRO CB C 39 32.686 31.887 0.799 1
1 418 . 2 1 1 A 40 40 GLU H H 40 8.631 8.506 0.125 1
1 419 . 2 1 1 A 40 40 GLU HA H 40 4.485 4.348 0.137 1
1 424 . 2 1 1 A 40 40 GLU CA C 40 55.067 55.168 -0.101 1
1 425 . 2 1 1 A 40 40 GLU CB C 40 29.310 29.368 -0.058 1
1 426 . 2 1 1 A 40 40 GLU N N 40 122.240 120.840 1.400 1
1 427 . 2 1 1 A 41 41 PRO HA H 41 3.869 4.430 -0.561 1
1 434 . 2 1 1 A 41 41 PRO C C 41 176.908 176.093 0.815 1
1 435 . 2 1 1 A 41 41 PRO CA C 41 64.772 63.938 0.834 1
1 436 . 2 1 1 A 41 41 PRO CB C 41 32.172 31.424 0.748 1
1 439 . 2 1 1 A 42 42 ASP H H 42 8.486 7.838 0.648 1
1 440 . 2 1 1 A 42 42 ASP HA H 42 4.456 4.815 -0.359 1
1 443 . 2 1 1 A 42 42 ASP C C 42 175.265 175.839 -0.574 1
1 444 . 2 1 1 A 42 42 ASP CA C 42 54.480 53.398 1.082 1
1 445 . 2 1 1 A 42 42 ASP CB C 42 40.139 42.236 -2.097 1
1 446 . 2 1 1 A 42 42 ASP N N 42 114.895 118.737 -3.842 1
1 447 . 2 1 1 A 43 43 GLN H H 43 7.280 8.844 -1.564 1
1 448 . 2 1 1 A 43 43 GLN HA H 43 4.420 3.956 0.464 1
1 455 . 2 1 1 A 43 43 GLN CA C 43 54.877 58.394 -3.517 1
1 456 . 2 1 1 A 43 43 GLN CB C 43 30.219 27.872 2.347 1
1 458 . 2 1 1 A 43 43 GLN N N 43 118.523 125.087 -6.564 1
1 460 . 2 1 1 A 44 44 ARG H H 44 8.207 7.638 0.569 1
1 461 . 2 1 1 A 44 44 ARG HA H 44 4.206 4.086 0.120 1
1 468 . 2 1 1 A 44 44 ARG C C 44 175.581 176.810 -1.229 1
1 469 . 2 1 1 A 44 44 ARG CA C 44 58.285 58.690 -0.405 1
1 470 . 2 1 1 A 44 44 ARG CB C 44 32.175 30.050 2.125 1
1 473 . 2 1 1 A 44 44 ARG N N 44 120.127 119.088 1.039 1
1 474 . 2 1 1 A 45 45 LYS H H 45 7.909 7.434 0.475 1
1 475 . 2 1 1 A 45 45 LYS HA H 45 3.985 4.760 -0.775 1
1 484 . 2 1 1 A 45 45 LYS C C 45 174.753 174.048 0.705 1
1 485 . 2 1 1 A 45 45 LYS CA C 45 56.378 55.751 0.627 1
1 486 . 2 1 1 A 45 45 LYS CB C 45 32.190 35.035 -2.845 1
1 490 . 2 1 1 A 45 45 LYS N N 45 118.935 119.060 -0.125 1
1 491 . 2 1 1 A 46 46 VAL H H 46 8.574 8.959 -0.385 1
1 492 . 2 1 1 A 46 46 VAL HA H 46 3.870 4.618 -0.748 1
1 500 . 2 1 1 A 46 46 VAL C C 46 173.589 174.543 -0.954 1
1 501 . 2 1 1 A 46 46 VAL CA C 46 60.777 60.965 -0.188 1
1 502 . 2 1 1 A 46 46 VAL CB C 46 32.263 32.754 -0.491 1
1 505 . 2 1 1 A 46 46 VAL N N 46 130.468 127.208 3.260 1
1 506 . 2 1 1 A 47 47 THR H H 47 8.098 8.832 -0.734 1
1 507 . 2 1 1 A 47 47 THR HA H 47 4.864 4.407 0.457 1
1 512 . 2 1 1 A 47 47 THR C C 47 173.666 175.165 -1.499 1
1 513 . 2 1 1 A 47 47 THR CA C 47 61.070 62.591 -1.521 1
1 514 . 2 1 1 A 47 47 THR CB C 47 69.693 69.474 0.219 1
1 516 . 2 1 1 A 47 47 THR N N 47 120.392 122.517 -2.125 1
1 517 . 2 1 1 A 48 48 CYS H H 48 8.928 9.188 -0.260 1
1 518 . 2 1 1 A 48 48 CYS HA H 48 4.581 4.535 0.046 1
1 521 . 2 1 1 A 48 48 CYS C C 48 174.212 177.042 -2.830 1
1 522 . 2 1 1 A 48 48 CYS CA C 48 59.848 61.854 -2.006 1
1 523 . 2 1 1 A 48 48 CYS CB C 48 29.425 27.409 2.016 1
1 524 . 2 1 1 A 48 48 CYS N N 48 130.472 125.300 5.172 1
1 525 . 2 1 1 A 49 49 GLU H H 49 7.552 7.886 -0.334 1
1 526 . 2 1 1 A 49 49 GLU HA H 49 4.647 4.086 0.561 1
1 531 . 2 1 1 A 49 49 GLU C C 49 175.297 177.507 -2.210 1
1 532 . 2 1 1 A 49 49 GLU CA C 49 55.852 58.843 -2.991 1
1 533 . 2 1 1 A 49 49 GLU CB C 49 31.404 29.931 1.473 1
1 535 . 2 1 1 A 49 49 GLU N N 49 128.705 119.292 9.413 1
1 536 . 2 1 1 A 50 50 GLY H H 50 8.459 8.143 0.316 1
1 537 . 2 1 1 A 50 50 GLY HA2 H 50 4.128 3.974 0.154 1
1 538 . 2 1 1 A 50 50 GLY HA3 H 50 3.916 3.982 -0.066 1
1 539 . 2 1 1 A 50 50 GLY C C 50 174.247 174.582 -0.335 1
1 540 . 2 1 1 A 50 50 GLY CA C 50 45.243 47.192 -1.949 1
1 541 . 2 1 1 A 50 50 GLY N N 50 109.953 107.170 2.783 1
1 542 . 2 1 1 A 51 51 GLY H H 51 8.548 8.353 0.195 1
1 543 . 2 1 1 A 51 51 GLY HA2 H 51 3.991 4.128 -0.137 1
1 544 . 2 1 1 A 51 51 GLY HA3 H 51 3.991 4.130 -0.139 1
1 545 . 2 1 1 A 51 51 GLY C C 51 174.381 175.599 -1.218 1
1 546 . 2 1 1 A 51 51 GLY CA C 51 45.714 45.422 0.292 1
1 547 . 2 1 1 A 51 51 GLY N N 51 109.074 111.422 -2.348 1
1 548 . 2 1 1 A 52 52 ASN H H 52 8.740 8.557 0.183 1
1 549 . 2 1 1 A 52 52 ASN HA H 52 4.566 4.697 -0.131 1
1 554 . 2 1 1 A 52 52 ASN C C 52 175.686 176.415 -0.729 1
1 555 . 2 1 1 A 52 52 ASN CA C 52 53.618 54.755 -1.137 1
1 556 . 2 1 1 A 52 52 ASN CB C 52 38.009 39.870 -1.861 1
1 557 . 2 1 1 A 52 52 ASN N N 52 118.415 117.807 0.608 1
1 559 . 2 1 1 A 53 53 GLY H H 53 8.367 7.548 0.819 1
1 560 . 2 1 1 A 53 53 GLY HA2 H 53 4.101 4.027 0.074 1
1 561 . 2 1 1 A 53 53 GLY HA3 H 53 3.808 4.027 -0.219 1
1 562 . 2 1 1 A 53 53 GLY C C 53 174.323 174.563 -0.240 1
1 563 . 2 1 1 A 53 53 GLY CA C 53 45.675 45.937 -0.262 1
1 564 . 2 1 1 A 53 53 GLY N N 53 107.419 104.146 3.273 1
1 565 . 2 1 1 A 54 54 LEU H H 54 7.703 7.834 -0.131 1
1 566 . 2 1 1 A 54 54 LEU HA H 54 4.405 4.458 -0.053 1
1 576 . 2 1 1 A 54 54 LEU C C 54 177.359 176.829 0.530 1
1 577 . 2 1 1 A 54 54 LEU CA C 54 55.162 54.937 0.225 1
1 578 . 2 1 1 A 54 54 LEU CB C 54 42.742 42.878 -0.136 1
1 582 . 2 1 1 A 54 54 LEU N N 54 121.020 121.541 -0.521 1
1 583 . 2 1 1 A 55 55 GLY H H 55 8.265 8.441 -0.176 1
1 584 . 2 1 1 A 55 55 GLY HA2 H 55 4.112 4.176 -0.064 1
1 585 . 2 1 1 A 55 55 GLY HA3 H 55 4.112 4.186 -0.074 1
1 586 . 2 1 1 A 55 55 GLY C C 55 174.453 174.742 -0.289 1
1 587 . 2 1 1 A 55 55 GLY CA C 55 45.438 45.727 -0.289 1
1 588 . 2 1 1 A 55 55 GLY N N 55 109.910 108.429 1.481 1
1 589 . 2 1 1 A 56 56 CYS H H 56 10.071 8.815 1.256 1
1 590 . 2 1 1 A 56 56 CYS HA H 56 4.928 4.295 0.633 1
1 593 . 2 1 1 A 56 56 CYS C C 56 177.993 174.989 3.004 1
1 594 . 2 1 1 A 56 56 CYS CA C 56 59.541 60.795 -1.254 1
1 595 . 2 1 1 A 56 56 CYS CB C 56 32.099 28.099 4.000 1
1 596 . 2 1 1 A 56 56 CYS N N 56 124.504 124.401 0.103 1
1 597 . 2 1 1 A 57 57 GLY H H 57 9.174 8.180 0.994 1
1 598 . 2 1 1 A 57 57 GLY HA2 H 57 4.313 3.972 0.341 1
1 599 . 2 1 1 A 57 57 GLY HA3 H 57 3.668 3.990 -0.322 1
1 600 . 2 1 1 A 57 57 GLY C C 57 173.686 173.701 -0.015 1
1 601 . 2 1 1 A 57 57 GLY CA C 57 45.860 45.156 0.704 1
1 602 . 2 1 1 A 57 57 GLY N N 57 114.428 108.296 6.132 1
1 603 . 2 1 1 A 58 58 PHE H H 58 9.036 7.792 1.244 1
1 604 . 2 1 1 A 58 58 PHE HA H 58 4.623 4.812 -0.189 1
1 611 . 2 1 1 A 58 58 PHE C C 58 173.896 174.434 -0.538 1
1 612 . 2 1 1 A 58 58 PHE CA C 58 58.969 55.982 2.987 1
1 613 . 2 1 1 A 58 58 PHE CB C 58 41.132 41.520 -0.388 1
1 614 . 2 1 1 A 58 58 PHE N N 58 125.130 120.558 4.572 1
1 615 . 2 1 1 A 59 59 ALA H H 59 7.570 8.483 -0.913 1
1 616 . 2 1 1 A 59 59 ALA HA H 59 5.486 4.841 0.645 1
1 620 . 2 1 1 A 59 59 ALA C C 59 176.469 177.780 -1.311 1
1 621 . 2 1 1 A 59 59 ALA CA C 59 49.817 52.597 -2.780 1
1 622 . 2 1 1 A 59 59 ALA CB C 59 19.826 19.401 0.425 1
1 623 . 2 1 1 A 59 59 ALA N N 59 128.638 130.116 -1.478 1
1 624 . 2 1 1 A 60 60 PHE H H 60 9.387 8.648 0.739 1
1 625 . 2 1 1 A 60 60 PHE HA H 60 5.204 5.615 -0.411 1
1 632 . 2 1 1 A 60 60 PHE C C 60 172.955 172.584 0.371 1
1 633 . 2 1 1 A 60 60 PHE CA C 60 54.353 55.293 -0.940 1
1 634 . 2 1 1 A 60 60 PHE CB C 60 42.246 41.613 0.633 1
1 637 . 2 1 1 A 60 60 PHE N N 60 121.410 116.370 5.040 1
1 638 . 2 1 1 A 61 61 CYS H H 61 8.772 8.753 0.019 1
1 639 . 2 1 1 A 61 61 CYS HA H 61 4.754 4.617 0.137 1
1 642 . 2 1 1 A 61 61 CYS C C 61 177.353 175.083 2.270 1
1 643 . 2 1 1 A 61 61 CYS CA C 61 58.032 57.460 0.572 1
1 644 . 2 1 1 A 61 61 CYS CB C 61 32.242 29.913 2.329 1
1 645 . 2 1 1 A 61 61 CYS N N 61 120.610 120.395 0.215 1
1 646 . 2 1 1 A 62 62 ARG H H 62 9.535 8.564 0.971 1
1 647 . 2 1 1 A 62 62 ARG HA H 62 4.027 3.904 0.123 1
1 654 . 2 1 1 A 62 62 ARG C C 62 175.657 177.673 -2.016 1
1 655 . 2 1 1 A 62 62 ARG CA C 62 59.330 59.434 -0.104 1
1 656 . 2 1 1 A 62 62 ARG CB C 62 31.196 29.981 1.215 1
1 659 . 2 1 1 A 62 62 ARG N N 62 130.041 127.539 2.502 1
1 660 . 2 1 1 A 63 63 GLU H H 63 8.721 8.131 0.590 1
1 661 . 2 1 1 A 63 63 GLU HA H 63 4.394 4.117 0.277 1
1 666 . 2 1 1 A 63 63 GLU C C 63 177.341 177.951 -0.610 1
1 667 . 2 1 1 A 63 63 GLU CA C 63 58.404 59.407 -1.003 1
1 668 . 2 1 1 A 63 63 GLU CB C 63 30.501 29.167 1.334 1
1 670 . 2 1 1 A 63 63 GLU N N 63 118.534 119.565 -1.031 1
1 671 . 2 1 1 A 64 64 CYS H H 64 8.050 7.780 0.270 1
1 672 . 2 1 1 A 64 64 CYS HA H 64 4.962 4.509 0.453 1
1 675 . 2 1 1 A 64 64 CYS C C 64 176.019 175.462 0.557 1
1 676 . 2 1 1 A 64 64 CYS CA C 64 58.858 58.393 0.465 1
1 677 . 2 1 1 A 64 64 CYS CB C 64 32.103 27.323 4.780 1
1 678 . 2 1 1 A 64 64 CYS N N 64 116.495 114.377 2.118 1
1 679 . 2 1 1 A 65 65 LYS H H 65 8.489 8.077 0.412 1
1 680 . 2 1 1 A 65 65 LYS HA H 65 4.191 4.602 -0.411 1
1 687 . 2 1 1 A 65 65 LYS C C 65 174.742 175.423 -0.681 1
1 688 . 2 1 1 A 65 65 LYS CA C 65 58.883 57.287 1.596 1
1 689 . 2 1 1 A 65 65 LYS CB C 65 28.865 30.185 -1.320 1
1 693 . 2 1 1 A 65 65 LYS N N 65 117.320 120.428 -3.108 1
1 694 . 2 1 1 A 66 66 GLU H H 66 8.272 7.461 0.811 1
1 695 . 2 1 1 A 66 66 GLU HA H 66 4.721 4.805 -0.084 1
1 700 . 2 1 1 A 66 66 GLU C C 66 175.422 175.584 -0.162 1
1 701 . 2 1 1 A 66 66 GLU CA C 66 55.285 54.563 0.722 1
1 702 . 2 1 1 A 66 66 GLU CB C 66 31.666 33.238 -1.572 1
1 704 . 2 1 1 A 66 66 GLU N N 66 117.719 119.613 -1.894 1
1 705 . 2 1 1 A 67 67 ALA H H 67 8.766 8.504 0.262 1
1 706 . 2 1 1 A 67 67 ALA HA H 67 4.177 4.421 -0.244 1
1 710 . 2 1 1 A 67 67 ALA C C 67 177.459 177.004 0.455 1
1 711 . 2 1 1 A 67 67 ALA CA C 67 53.019 53.115 -0.096 1
1 712 . 2 1 1 A 67 67 ALA CB C 67 18.548 19.065 -0.517 1
1 713 . 2 1 1 A 67 67 ALA N N 67 120.597 124.265 -3.668 1
1 714 . 2 1 1 A 68 68 TYR H H 68 8.061 8.864 -0.803 1
1 715 . 2 1 1 A 68 68 TYR HA H 68 4.531 4.334 0.197 1
1 722 . 2 1 1 A 68 68 TYR CA C 68 58.242 59.566 -1.324 1
1 723 . 2 1 1 A 68 68 TYR CB C 68 38.531 38.956 -0.425 1
1 728 . 2 1 1 A 68 68 TYR N N 68 120.592 124.064 -3.472 1
1 729 . 2 1 1 A 69 69 HIS HA H 69 4.643 5.186 -0.543 1
1 734 . 2 1 1 A 69 69 HIS C C 69 173.158 175.844 -2.686 1
1 735 . 2 1 1 A 69 69 HIS CA C 69 51.310 53.855 -2.545 1
1 736 . 2 1 1 A 69 69 HIS CB C 69 32.038 31.843 0.195 1
1 739 . 2 1 1 A 70 70 GLU H H 70 8.796 9.266 -0.470 1
1 740 . 2 1 1 A 70 70 GLU HA H 70 4.238 4.480 -0.242 1
1 745 . 2 1 1 A 70 70 GLU C C 70 178.838 176.794 2.044 1
1 746 . 2 1 1 A 70 70 GLU CA C 70 55.450 56.979 -1.529 1
1 747 . 2 1 1 A 70 70 GLU CB C 70 30.527 29.955 0.572 1
1 749 . 2 1 1 A 70 70 GLU N N 70 120.194 119.410 0.784 1
1 750 . 2 1 1 A 71 71 GLY H H 71 8.876 7.981 0.895 1
1 751 . 2 1 1 A 71 71 GLY HA2 H 71 4.082 4.005 0.077 1
1 752 . 2 1 1 A 71 71 GLY HA3 H 71 3.910 4.035 -0.125 1
1 753 . 2 1 1 A 71 71 GLY C C 71 173.634 173.355 0.279 1
1 754 . 2 1 1 A 71 71 GLY CA C 71 45.615 45.439 0.176 1
1 755 . 2 1 1 A 71 71 GLY N N 71 111.118 108.605 2.513 1
1 756 . 2 1 1 A 72 72 GLU H H 72 8.391 7.551 0.840 1
1 757 . 2 1 1 A 72 72 GLU HA H 72 4.360 4.349 0.011 1
1 762 . 2 1 1 A 72 72 GLU C C 72 177.319 175.513 1.806 1
1 763 . 2 1 1 A 72 72 GLU CA C 72 56.571 55.532 1.039 1
1 764 . 2 1 1 A 72 72 GLU CB C 72 30.411 33.074 -2.663 1
1 766 . 2 1 1 A 72 72 GLU N N 72 118.939 118.255 0.684 1
1 767 . 2 1 1 A 73 73 CYS H H 73 8.574 8.637 -0.063 1
1 768 . 2 1 1 A 73 73 CYS HA H 73 3.770 4.150 -0.380 1
1 771 . 2 1 1 A 73 73 CYS C C 73 176.052 177.011 -0.959 1
1 772 . 2 1 1 A 73 73 CYS CA C 73 60.416 62.164 -1.748 1
1 773 . 2 1 1 A 73 73 CYS CB C 73 30.793 27.035 3.758 1
1 774 . 2 1 1 A 73 73 CYS N N 73 123.479 123.244 0.235 1
1 775 . 2 1 1 A 74 74 SER H H 74 8.541 8.013 0.528 1
1 776 . 2 1 1 A 74 74 SER HA H 74 4.288 4.178 0.110 1
1 779 . 2 1 1 A 74 74 SER C C 74 174.140 175.717 -1.577 1
1 780 . 2 1 1 A 74 74 SER CA C 74 58.591 61.575 -2.984 1
1 781 . 2 1 1 A 74 74 SER CB C 74 63.626 63.053 0.573 1
1 782 . 2 1 1 A 74 74 SER N N 74 117.297 115.455 1.842 1
1 783 . 2 1 1 A 75 75 ALA H H 75 8.092 7.411 0.681 1
1 784 . 2 1 1 A 75 75 ALA HA H 75 4.312 4.195 0.117 1
1 788 . 2 1 1 A 75 75 ALA C C 75 177.173 177.102 0.071 1
1 789 . 2 1 1 A 75 75 ALA CA C 75 52.403 53.110 -0.707 1
1 790 . 2 1 1 A 75 75 ALA CB C 75 19.546 19.070 0.476 1
1 791 . 2 1 1 A 75 75 ALA N N 75 125.952 123.289 2.663 1
1 792 . 2 1 1 A 76 76 VAL H H 76 7.934 8.571 -0.637 1
1 793 . 2 1 1 A 76 76 VAL HA H 76 4.028 4.559 -0.531 1
1 801 . 2 1 1 A 76 76 VAL C C 76 175.784 174.749 1.035 1
1 802 . 2 1 1 A 76 76 VAL CA C 76 62.265 61.530 0.735 1
1 803 . 2 1 1 A 76 76 VAL CB C 76 32.893 32.577 0.316 1
1 806 . 2 1 1 A 76 76 VAL N N 76 118.959 123.210 -4.251 1
1 807 . 2 1 1 A 77 77 PHE H H 77 8.283 8.868 -0.585 1
1 808 . 2 1 1 A 77 77 PHE HA H 77 4.670 5.265 -0.595 1
1 813 . 2 1 1 A 77 77 PHE C C 77 175.335 173.455 1.880 1
1 814 . 2 1 1 A 77 77 PHE CA C 77 57.588 56.377 1.211 1
1 815 . 2 1 1 A 77 77 PHE CB C 77 39.899 42.836 -2.937 1
1 818 . 2 1 1 A 77 77 PHE N N 77 124.298 130.878 -6.580 1
1 819 . 2 1 1 A 78 78 GLU H H 78 8.262 7.899 0.363 1
1 820 . 2 1 1 A 78 78 GLU HA H 78 4.251 4.775 -0.524 1
1 825 . 2 1 1 A 78 78 GLU C C 78 175.451 174.377 1.074 1
1 826 . 2 1 1 A 78 78 GLU CA C 78 56.179 54.312 1.867 1
1 827 . 2 1 1 A 78 78 GLU CB C 78 30.676 33.494 -2.818 1
1 829 . 2 1 1 A 78 78 GLU N N 78 123.482 125.579 -2.097 1
1 830 . 2 1 1 A 79 79 ALA H H 79 8.279 8.446 -0.167 1
1 831 . 2 1 1 A 79 79 ALA HA H 79 4.341 4.715 -0.374 1
1 835 . 2 1 1 A 79 79 ALA C C 79 176.767 177.938 -1.171 1
1 836 . 2 1 1 A 79 79 ALA CA C 79 52.512 50.793 1.719 1
1 837 . 2 1 1 A 79 79 ALA CB C 79 19.493 20.003 -0.510 1
1 838 . 2 1 1 A 79 79 ALA N N 79 126.363 123.912 2.451 1
1 6 . 3 1 1 A 2 2 HIS H H 2 7.929 8.670 -0.741 1
1 9 . 3 1 1 A 2 2 HIS CB C 2 31.017 30.537 0.480 1
1 12 . 3 1 1 A 2 2 HIS N N 2 118.946 124.166 -5.220 1
1 13 . 3 1 1 A 3 3 MET HA H 3 4.537 3.963 0.574 1
1 16 . 3 1 1 A 3 3 MET C C 3 176.240 175.762 0.478 1
1 17 . 3 1 1 A 3 3 MET CA C 3 55.681 56.279 -0.598 1
1 18 . 3 1 1 A 3 3 MET CB C 3 33.063 31.398 1.665 1
1 20 . 3 1 1 A 4 4 GLY H H 4 8.155 8.009 0.146 1
1 21 . 3 1 1 A 4 4 GLY HA2 H 4 4.031 3.901 0.130 1
1 22 . 3 1 1 A 4 4 GLY HA3 H 4 4.031 3.921 0.110 1
1 23 . 3 1 1 A 4 4 GLY C C 4 174.348 172.639 1.709 1
1 24 . 3 1 1 A 4 4 GLY CA C 4 45.418 45.118 0.300 1
1 25 . 3 1 1 A 4 4 GLY N N 4 108.673 106.983 1.690 1
1 26 . 3 1 1 A 5 5 GLU H H 5 8.351 9.029 -0.678 1
1 27 . 3 1 1 A 5 5 GLU HA H 5 4.275 5.142 -0.867 1
1 32 . 3 1 1 A 5 5 GLU C C 5 177.037 174.184 2.853 1
1 33 . 3 1 1 A 5 5 GLU CA C 5 57.098 54.418 2.680 1
1 34 . 3 1 1 A 5 5 GLU CB C 5 30.282 33.794 -3.512 1
1 36 . 3 1 1 A 5 5 GLU N N 5 120.605 121.666 -1.061 1
1 37 . 3 1 1 A 6 6 GLU H H 6 8.641 8.391 0.250 1
1 38 . 3 1 1 A 6 6 GLU HA H 6 4.248 5.359 -1.111 1
1 43 . 3 1 1 A 6 6 GLU C C 6 176.799 175.115 1.684 1
1 44 . 3 1 1 A 6 6 GLU CA C 6 57.344 54.936 2.408 1
1 45 . 3 1 1 A 6 6 GLU CB C 6 29.842 33.635 -3.793 1
1 47 . 3 1 1 A 6 6 GLU N N 6 121.425 119.476 1.949 1
1 48 . 3 1 1 A 7 7 GLN H H 7 8.304 8.853 -0.549 1
1 53 . 3 1 1 A 7 7 GLN C C 7 175.537 174.337 1.200 1
1 54 . 3 1 1 A 7 7 GLN CA C 7 56.292 54.735 1.557 1
1 55 . 3 1 1 A 7 7 GLN CB C 7 29.164 32.197 -3.033 1
1 57 . 3 1 1 A 7 7 GLN N N 7 120.185 120.273 -0.088 1
1 59 . 3 1 1 A 8 8 TYR H H 8 8.221 8.814 -0.593 1
1 60 . 3 1 1 A 8 8 TYR HA H 8 4.606 4.835 -0.229 1
1 67 . 3 1 1 A 8 8 TYR C C 8 175.728 175.247 0.481 1
1 68 . 3 1 1 A 8 8 TYR CA C 8 58.138 59.002 -0.864 1
1 69 . 3 1 1 A 8 8 TYR CB C 8 38.766 39.675 -0.909 1
1 70 . 3 1 1 A 8 8 TYR N N 8 120.918 121.898 -0.980 1
1 71 . 3 1 1 A 9 9 ASN H H 9 8.288 8.578 -0.290 1
1 72 . 3 1 1 A 9 9 ASN HA H 9 4.654 5.331 -0.677 1
1 77 . 3 1 1 A 9 9 ASN C C 9 175.439 173.803 1.636 1
1 78 . 3 1 1 A 9 9 ASN CA C 9 53.435 52.033 1.402 1
1 79 . 3 1 1 A 9 9 ASN CB C 9 38.790 42.885 -4.095 1
1 80 . 3 1 1 A 9 9 ASN N N 9 120.180 122.128 -1.948 1
1 82 . 3 1 1 A 10 10 ARG H H 10 8.128 8.497 -0.369 1
1 83 . 3 1 1 A 10 10 ARG HA H 10 4.171 4.893 -0.722 1
1 90 . 3 1 1 A 10 10 ARG C C 10 176.244 176.066 0.178 1
1 91 . 3 1 1 A 10 10 ARG CA C 10 57.023 54.453 2.570 1
1 92 . 3 1 1 A 10 10 ARG CB C 10 30.535 31.981 -1.446 1
1 95 . 3 1 1 A 10 10 ARG N N 10 121.014 119.773 1.241 1
1 96 . 3 1 1 A 11 11 TYR H H 11 8.108 8.863 -0.755 1
1 97 . 3 1 1 A 11 11 TYR HA H 11 4.543 3.958 0.585 1
1 104 . 3 1 1 A 11 11 TYR C C 11 175.929 177.306 -1.377 1
1 105 . 3 1 1 A 11 11 TYR CA C 11 58.219 62.281 -4.062 1
1 106 . 3 1 1 A 11 11 TYR CB C 11 38.365 39.517 -1.152 1
1 107 . 3 1 1 A 11 11 TYR N N 11 119.776 126.171 -6.395 1
1 108 . 3 1 1 A 12 12 GLN H H 12 8.050 8.171 -0.121 1
1 109 . 3 1 1 A 12 12 GLN HA H 12 4.269 3.729 0.540 1
1 116 . 3 1 1 A 12 12 GLN C C 12 175.917 176.188 -0.271 1
1 117 . 3 1 1 A 12 12 GLN CA C 12 56.240 59.010 -2.770 1
1 118 . 3 1 1 A 12 12 GLN CB C 12 29.463 28.498 0.965 1
1 120 . 3 1 1 A 12 12 GLN N N 12 120.992 117.902 3.090 1
1 122 . 3 1 1 A 13 13 GLN H H 13 8.065 7.622 0.443 1
1 123 . 3 1 1 A 13 13 GLN HA H 13 4.202 4.818 -0.616 1
1 130 . 3 1 1 A 13 13 GLN C C 13 175.644 174.651 0.993 1
1 131 . 3 1 1 A 13 13 GLN CA C 13 56.242 54.338 1.904 1
1 132 . 3 1 1 A 13 13 GLN CB C 13 29.394 30.757 -1.363 1
1 134 . 3 1 1 A 13 13 GLN N N 13 120.539 116.411 4.128 1
1 136 . 3 1 1 A 14 14 TYR H H 14 8.212 8.580 -0.368 1
1 137 . 3 1 1 A 14 14 TYR HA H 14 4.572 5.002 -0.430 1
1 144 . 3 1 1 A 14 14 TYR C C 14 176.382 177.431 -1.049 1
1 145 . 3 1 1 A 14 14 TYR CA C 14 57.958 56.352 1.606 1
1 146 . 3 1 1 A 14 14 TYR CB C 14 38.983 41.401 -2.418 1
1 151 . 3 1 1 A 14 14 TYR N N 14 120.582 119.263 1.319 1
1 152 . 3 1 1 A 15 15 GLY H H 15 8.405 8.701 -0.296 1
1 153 . 3 1 1 A 15 15 GLY HA2 H 15 3.933 3.829 0.104 1
1 154 . 3 1 1 A 15 15 GLY HA3 H 15 3.933 3.844 0.089 1
1 155 . 3 1 1 A 15 15 GLY C C 15 173.776 174.943 -1.167 1
1 156 . 3 1 1 A 15 15 GLY CA C 15 45.407 47.374 -1.967 1
1 157 . 3 1 1 A 15 15 GLY N N 15 110.724 110.720 0.004 1
1 158 . 3 1 1 A 16 16 ALA H H 16 8.160 7.777 0.383 1
1 159 . 3 1 1 A 16 16 ALA HA H 16 4.302 4.450 -0.148 1
1 163 . 3 1 1 A 16 16 ALA C C 16 178.147 176.833 1.314 1
1 164 . 3 1 1 A 16 16 ALA CA C 16 53.034 51.699 1.335 1
1 165 . 3 1 1 A 16 16 ALA CB C 16 19.392 20.672 -1.280 1
1 166 . 3 1 1 A 16 16 ALA N N 16 123.489 123.348 0.141 1
1 167 . 3 1 1 A 17 17 GLU H H 17 8.612 8.637 -0.025 1
1 168 . 3 1 1 A 17 17 GLU HA H 17 4.169 4.635 -0.466 1
1 173 . 3 1 1 A 17 17 GLU C C 17 177.000 175.070 1.930 1
1 174 . 3 1 1 A 17 17 GLU CA C 17 57.837 55.105 2.732 1
1 175 . 3 1 1 A 17 17 GLU CB C 17 29.881 30.901 -1.020 1
1 177 . 3 1 1 A 17 17 GLU N N 17 119.373 121.066 -1.693 1
1 178 . 3 1 1 A 18 18 GLU H H 18 8.413 9.027 -0.614 1
1 179 . 3 1 1 A 18 18 GLU HA H 18 4.210 5.094 -0.884 1
1 184 . 3 1 1 A 18 18 GLU C C 18 177.015 174.753 2.262 1
1 185 . 3 1 1 A 18 18 GLU CA C 18 57.641 54.794 2.847 1
1 186 . 3 1 1 A 18 18 GLU CB C 18 29.980 31.849 -1.869 1
1 188 . 3 1 1 A 18 18 GLU N N 18 120.184 124.418 -4.234 1
1 189 . 3 1 1 A 19 19 CYS H H 19 8.253 8.715 -0.462 1
1 190 . 3 1 1 A 19 19 CYS HA H 19 4.381 4.787 -0.406 1
1 193 . 3 1 1 A 19 19 CYS C C 19 175.552 174.081 1.471 1
1 194 . 3 1 1 A 19 19 CYS CA C 19 59.819 58.190 1.629 1
1 195 . 3 1 1 A 19 19 CYS CB C 19 27.554 29.677 -2.123 1
1 196 . 3 1 1 A 19 19 CYS N N 19 119.775 122.719 -2.944 1
1 197 . 3 1 1 A 20 20 VAL H H 20 8.051 8.649 -0.598 1
1 198 . 3 1 1 A 20 20 VAL HA H 20 3.939 3.645 0.294 1
1 206 . 3 1 1 A 20 20 VAL C C 20 173.904 176.077 -2.173 1
1 207 . 3 1 1 A 20 20 VAL CA C 20 64.113 63.098 1.015 1
1 208 . 3 1 1 A 20 20 VAL CB C 20 32.316 29.942 2.374 1
1 211 . 3 1 1 A 20 20 VAL N N 20 121.008 126.025 -5.017 1
1 212 . 3 1 1 A 21 21 LEU H H 21 8.190 8.085 0.105 1
1 213 . 3 1 1 A 21 21 LEU HA H 21 4.648 4.388 0.260 1
1 222 . 3 1 1 A 21 21 LEU CA C 21 54.565 55.049 -0.484 1
1 223 . 3 1 1 A 21 21 LEU CB C 21 41.542 41.474 0.068 1
1 225 . 3 1 1 A 21 21 LEU N N 21 123.470 119.341 4.129 1
1 226 . 3 1 1 A 22 22 GLN H H 22 8.322 7.398 0.924 1
1 227 . 3 1 1 A 22 22 GLN HA H 22 4.046 4.493 -0.447 1
1 230 . 3 1 1 A 22 22 GLN C C 22 176.428 175.709 0.719 1
1 231 . 3 1 1 A 22 22 GLN CA C 22 56.800 54.294 2.506 1
1 232 . 3 1 1 A 22 22 GLN CB C 22 29.116 29.871 -0.755 1
1 234 . 3 1 1 A 22 22 GLN N N 22 120.999 118.372 2.627 1
1 236 . 3 1 1 A 23 23 MET H H 23 7.958 8.603 -0.645 1
1 237 . 3 1 1 A 23 23 MET HA H 23 4.487 4.503 -0.016 1
1 245 . 3 1 1 A 23 23 MET C C 23 176.558 176.559 -0.001 1
1 246 . 3 1 1 A 23 23 MET CA C 23 55.842 55.406 0.436 1
1 247 . 3 1 1 A 23 23 MET CB C 23 32.712 33.457 -0.745 1
1 250 . 3 1 1 A 23 23 MET N N 23 118.950 119.626 -0.676 1
1 251 . 3 1 1 A 24 24 GLY H H 24 8.549 8.892 -0.343 1
1 252 . 3 1 1 A 24 24 GLY HA2 H 24 4.163 3.868 0.295 1
1 253 . 3 1 1 A 24 24 GLY HA3 H 24 3.919 3.873 0.046 1
1 254 . 3 1 1 A 24 24 GLY C C 24 174.799 174.886 -0.087 1
1 255 . 3 1 1 A 24 24 GLY CA C 24 45.547 47.164 -1.617 1
1 256 . 3 1 1 A 24 24 GLY N N 24 110.724 108.868 1.856 1
1 257 . 3 1 1 A 25 25 GLY H H 25 8.216 8.496 -0.280 1
1 258 . 3 1 1 A 25 25 GLY HA2 H 25 4.455 3.934 0.521 1
1 259 . 3 1 1 A 25 25 GLY HA3 H 25 3.921 3.943 -0.022 1
1 260 . 3 1 1 A 25 25 GLY C C 25 172.658 173.316 -0.658 1
1 261 . 3 1 1 A 25 25 GLY CA C 25 45.087 46.877 -1.790 1
1 262 . 3 1 1 A 25 25 GLY N N 25 107.443 113.958 -6.515 1
1 263 . 3 1 1 A 26 26 VAL H H 26 8.726 8.696 0.030 1
1 264 . 3 1 1 A 26 26 VAL HA H 26 4.533 5.170 -0.637 1
1 272 . 3 1 1 A 26 26 VAL C C 26 172.923 174.039 -1.116 1
1 273 . 3 1 1 A 26 26 VAL CA C 26 59.864 59.032 0.832 1
1 274 . 3 1 1 A 26 26 VAL CB C 26 35.551 36.682 -1.131 1
1 277 . 3 1 1 A 26 26 VAL N N 26 116.467 119.209 -2.742 1
1 278 . 3 1 1 A 27 27 LEU H H 27 8.201 8.811 -0.610 1
1 279 . 3 1 1 A 27 27 LEU HA H 27 5.057 5.005 0.052 1
1 289 . 3 1 1 A 27 27 LEU C C 27 176.746 175.385 1.361 1
1 290 . 3 1 1 A 27 27 LEU CA C 27 53.134 53.309 -0.175 1
1 291 . 3 1 1 A 27 27 LEU CB C 27 42.926 45.515 -2.589 1
1 294 . 3 1 1 A 27 27 LEU N N 27 124.428 115.532 8.896 1
1 295 . 3 1 1 A 28 28 CYS H H 28 8.902 8.494 0.408 1
1 296 . 3 1 1 A 28 28 CYS HA H 28 4.158 4.112 0.046 1
1 299 . 3 1 1 A 28 28 CYS CA C 28 57.728 57.710 0.018 1
1 300 . 3 1 1 A 28 28 CYS CB C 28 32.175 28.090 4.085 1
1 301 . 3 1 1 A 28 28 CYS N N 28 127.173 120.219 6.954 1
1 302 . 3 1 1 A 29 29 PRO HA H 29 4.410 4.389 0.021 1
1 309 . 3 1 1 A 29 29 PRO C C 29 177.459 176.278 1.181 1
1 310 . 3 1 1 A 29 29 PRO CA C 29 62.872 64.239 -1.367 1
1 311 . 3 1 1 A 29 29 PRO CB C 29 32.813 31.881 0.932 1
1 314 . 3 1 1 A 30 30 ARG H H 30 9.132 7.699 1.433 1
1 315 . 3 1 1 A 30 30 ARG HA H 30 4.087 4.391 -0.304 1
1 322 . 3 1 1 A 30 30 ARG CA C 30 55.102 54.508 0.594 1
1 323 . 3 1 1 A 30 30 ARG CB C 30 29.469 29.714 -0.245 1
1 326 . 3 1 1 A 30 30 ARG N N 30 127.589 120.301 7.288 1
1 327 . 3 1 1 A 31 31 PRO HA H 31 4.242 4.273 -0.031 1
1 334 . 3 1 1 A 31 31 PRO C C 31 177.828 177.397 0.431 1
1 335 . 3 1 1 A 31 31 PRO CA C 31 64.202 63.623 0.579 1
1 336 . 3 1 1 A 31 31 PRO CB C 31 31.518 31.198 0.320 1
1 339 . 3 1 1 A 32 32 GLY H H 32 8.773 8.874 -0.101 1
1 340 . 3 1 1 A 32 32 GLY HA2 H 32 4.065 3.930 0.135 1
1 341 . 3 1 1 A 32 32 GLY HA3 H 32 3.706 3.931 -0.225 1
1 342 . 3 1 1 A 32 32 GLY C C 32 173.340 174.359 -1.019 1
1 343 . 3 1 1 A 32 32 GLY CA C 32 45.272 45.541 -0.269 1
1 344 . 3 1 1 A 32 32 GLY N N 32 111.942 112.498 -0.556 1
1 345 . 3 1 1 A 33 33 CYS H H 33 7.749 7.803 -0.054 1
1 346 . 3 1 1 A 33 33 CYS HA H 33 4.528 4.331 0.197 1
1 349 . 3 1 1 A 33 33 CYS CA C 33 60.515 59.362 1.153 1
1 350 . 3 1 1 A 33 33 CYS CB C 33 29.641 28.193 1.448 1
1 351 . 3 1 1 A 33 33 CYS N N 33 123.343 121.142 2.201 1
1 352 . 3 1 1 A 34 34 GLY H H 34 8.351 8.696 -0.345 1
1 353 . 3 1 1 A 34 34 GLY HA2 H 34 4.120 3.942 0.178 1
1 354 . 3 1 1 A 34 34 GLY HA3 H 34 3.911 3.953 -0.042 1
1 355 . 3 1 1 A 34 34 GLY C C 34 173.849 175.497 -1.648 1
1 356 . 3 1 1 A 34 34 GLY CA C 34 46.225 46.480 -0.255 1
1 357 . 3 1 1 A 34 34 GLY N N 34 106.570 114.924 -8.354 1
1 358 . 3 1 1 A 35 35 ALA H H 35 8.591 7.777 0.814 1
1 359 . 3 1 1 A 35 35 ALA HA H 35 4.091 4.002 0.089 1
1 363 . 3 1 1 A 35 35 ALA C C 35 176.818 178.244 -1.426 1
1 364 . 3 1 1 A 35 35 ALA CA C 35 53.757 55.562 -1.805 1
1 365 . 3 1 1 A 35 35 ALA CB C 35 20.271 18.460 1.811 1
1 366 . 3 1 1 A 35 35 ALA N N 35 125.109 123.765 1.344 1
1 367 . 3 1 1 A 36 36 GLY H H 36 8.348 8.249 0.099 1
1 368 . 3 1 1 A 36 36 GLY HA2 H 36 4.412 3.923 0.489 1
1 369 . 3 1 1 A 36 36 GLY HA3 H 36 3.479 3.931 -0.452 1
1 370 . 3 1 1 A 36 36 GLY C C 36 177.324 173.610 3.714 1
1 371 . 3 1 1 A 36 36 GLY CA C 36 45.847 46.998 -1.151 1
1 372 . 3 1 1 A 36 36 GLY N N 36 106.607 106.141 0.466 1
1 373 . 3 1 1 A 37 37 LEU H H 37 8.190 7.325 0.865 1
1 374 . 3 1 1 A 37 37 LEU HA H 37 4.753 4.986 -0.233 1
1 384 . 3 1 1 A 37 37 LEU C C 37 177.064 175.413 1.651 1
1 385 . 3 1 1 A 37 37 LEU CB C 37 44.730 45.320 -0.590 1
1 389 . 3 1 1 A 37 37 LEU N N 37 123.541 114.804 8.737 1
1 390 . 3 1 1 A 38 38 LEU H H 38 8.210 8.660 -0.450 1
1 391 . 3 1 1 A 38 38 LEU HA H 38 4.981 4.425 0.556 1
1 401 . 3 1 1 A 38 38 LEU CA C 38 51.755 53.252 -1.497 1
1 402 . 3 1 1 A 38 38 LEU CB C 38 42.309 42.922 -0.613 1
1 405 . 3 1 1 A 38 38 LEU N N 38 124.280 126.310 -2.030 1
1 406 . 3 1 1 A 39 39 PRO HA H 39 4.600 4.584 0.016 1
1 413 . 3 1 1 A 39 39 PRO C C 39 176.647 176.341 0.306 1
1 414 . 3 1 1 A 39 39 PRO CA C 39 62.130 62.094 0.036 1
1 415 . 3 1 1 A 39 39 PRO CB C 39 32.686 32.638 0.048 1
1 418 . 3 1 1 A 40 40 GLU H H 40 8.631 8.582 0.049 1
1 419 . 3 1 1 A 40 40 GLU HA H 40 4.485 4.605 -0.120 1
1 424 . 3 1 1 A 40 40 GLU CA C 40 55.067 54.825 0.242 1
1 425 . 3 1 1 A 40 40 GLU CB C 40 29.310 29.479 -0.169 1
1 426 . 3 1 1 A 40 40 GLU N N 40 122.240 120.234 2.006 1
1 427 . 3 1 1 A 41 41 PRO HA H 41 3.869 4.447 -0.578 1
1 434 . 3 1 1 A 41 41 PRO C C 41 176.908 175.989 0.919 1
1 435 . 3 1 1 A 41 41 PRO CA C 41 64.772 63.946 0.826 1
1 436 . 3 1 1 A 41 41 PRO CB C 41 32.172 31.308 0.864 1
1 439 . 3 1 1 A 42 42 ASP H H 42 8.486 8.085 0.401 1
1 440 . 3 1 1 A 42 42 ASP HA H 42 4.456 4.794 -0.338 1
1 443 . 3 1 1 A 42 42 ASP C C 42 175.265 176.190 -0.925 1
1 444 . 3 1 1 A 42 42 ASP CA C 42 54.480 52.973 1.507 1
1 445 . 3 1 1 A 42 42 ASP CB C 42 40.139 41.972 -1.833 1
1 446 . 3 1 1 A 42 42 ASP N N 42 114.895 120.087 -5.192 1
1 447 . 3 1 1 A 43 43 GLN H H 43 7.280 8.826 -1.546 1
1 448 . 3 1 1 A 43 43 GLN HA H 43 4.420 4.005 0.415 1
1 455 . 3 1 1 A 43 43 GLN CA C 43 54.877 58.180 -3.303 1
1 456 . 3 1 1 A 43 43 GLN CB C 43 30.219 27.993 2.226 1
1 458 . 3 1 1 A 43 43 GLN N N 43 118.523 124.398 -5.875 1
1 460 . 3 1 1 A 44 44 ARG H H 44 8.207 7.790 0.417 1
1 461 . 3 1 1 A 44 44 ARG HA H 44 4.206 4.103 0.103 1
1 468 . 3 1 1 A 44 44 ARG C C 44 175.581 176.923 -1.342 1
1 469 . 3 1 1 A 44 44 ARG CA C 44 58.285 58.915 -0.630 1
1 470 . 3 1 1 A 44 44 ARG CB C 44 32.175 30.156 2.019 1
1 473 . 3 1 1 A 44 44 ARG N N 44 120.127 118.779 1.348 1
1 474 . 3 1 1 A 45 45 LYS H H 45 7.909 7.272 0.637 1
1 475 . 3 1 1 A 45 45 LYS HA H 45 3.985 4.783 -0.798 1
1 484 . 3 1 1 A 45 45 LYS C C 45 174.753 174.003 0.750 1
1 485 . 3 1 1 A 45 45 LYS CA C 45 56.378 55.595 0.783 1
1 486 . 3 1 1 A 45 45 LYS CB C 45 32.190 35.163 -2.973 1
1 490 . 3 1 1 A 45 45 LYS N N 45 118.935 118.634 0.301 1
1 491 . 3 1 1 A 46 46 VAL H H 46 8.574 9.072 -0.498 1
1 492 . 3 1 1 A 46 46 VAL HA H 46 3.870 4.625 -0.755 1
1 500 . 3 1 1 A 46 46 VAL C C 46 173.589 174.873 -1.284 1
1 501 . 3 1 1 A 46 46 VAL CA C 46 60.777 60.869 -0.092 1
1 502 . 3 1 1 A 46 46 VAL CB C 46 32.263 33.182 -0.919 1
1 505 . 3 1 1 A 46 46 VAL N N 46 130.468 127.163 3.305 1
1 506 . 3 1 1 A 47 47 THR H H 47 8.098 8.799 -0.701 1
1 507 . 3 1 1 A 47 47 THR HA H 47 4.864 4.723 0.141 1
1 512 . 3 1 1 A 47 47 THR C C 47 173.666 175.304 -1.638 1
1 513 . 3 1 1 A 47 47 THR CA C 47 61.070 61.153 -0.083 1
1 514 . 3 1 1 A 47 47 THR CB C 47 69.693 71.001 -1.308 1
1 516 . 3 1 1 A 47 47 THR N N 47 120.392 122.095 -1.703 1
1 517 . 3 1 1 A 48 48 CYS H H 48 8.928 8.989 -0.061 1
1 518 . 3 1 1 A 48 48 CYS HA H 48 4.581 4.856 -0.275 1
1 521 . 3 1 1 A 48 48 CYS C C 48 174.212 177.024 -2.812 1
1 522 . 3 1 1 A 48 48 CYS CA C 48 59.848 60.282 -0.434 1
1 523 . 3 1 1 A 48 48 CYS CB C 48 29.425 28.583 0.842 1
1 524 . 3 1 1 A 48 48 CYS N N 48 130.472 123.223 7.249 1
1 525 . 3 1 1 A 49 49 GLU H H 49 7.552 8.146 -0.594 1
1 526 . 3 1 1 A 49 49 GLU HA H 49 4.647 4.079 0.568 1
1 531 . 3 1 1 A 49 49 GLU C C 49 175.297 178.393 -3.096 1
1 532 . 3 1 1 A 49 49 GLU CA C 49 55.852 59.315 -3.463 1
1 533 . 3 1 1 A 49 49 GLU CB C 49 31.404 29.207 2.197 1
1 535 . 3 1 1 A 49 49 GLU N N 49 128.705 120.779 7.926 1
1 536 . 3 1 1 A 50 50 GLY H H 50 8.459 8.242 0.217 1
1 537 . 3 1 1 A 50 50 GLY HA2 H 50 4.128 3.690 0.438 1
1 538 . 3 1 1 A 50 50 GLY HA3 H 50 3.916 3.703 0.213 1
1 539 . 3 1 1 A 50 50 GLY C C 50 174.247 174.698 -0.451 1
1 540 . 3 1 1 A 50 50 GLY CA C 50 45.243 47.179 -1.936 1
1 541 . 3 1 1 A 50 50 GLY N N 50 109.953 106.764 3.189 1
1 542 . 3 1 1 A 51 51 GLY H H 51 8.548 8.477 0.071 1
1 543 . 3 1 1 A 51 51 GLY HA2 H 51 3.991 4.202 -0.211 1
1 544 . 3 1 1 A 51 51 GLY HA3 H 51 3.991 4.205 -0.214 1
1 545 . 3 1 1 A 51 51 GLY C C 51 174.381 171.979 2.402 1
1 546 . 3 1 1 A 51 51 GLY CA C 51 45.714 45.388 0.326 1
1 547 . 3 1 1 A 51 51 GLY N N 51 109.074 111.380 -2.306 1
1 548 . 3 1 1 A 52 52 ASN H H 52 8.740 8.466 0.274 1
1 549 . 3 1 1 A 52 52 ASN HA H 52 4.566 5.040 -0.474 1
1 554 . 3 1 1 A 52 52 ASN C C 52 175.686 175.520 0.166 1
1 555 . 3 1 1 A 52 52 ASN CA C 52 53.618 52.195 1.423 1
1 556 . 3 1 1 A 52 52 ASN CB C 52 38.009 40.784 -2.775 1
1 557 . 3 1 1 A 52 52 ASN N N 52 118.415 120.718 -2.303 1
1 559 . 3 1 1 A 53 53 GLY H H 53 8.367 9.008 -0.641 1
1 560 . 3 1 1 A 53 53 GLY HA2 H 53 4.101 3.993 0.108 1
1 561 . 3 1 1 A 53 53 GLY HA3 H 53 3.808 3.995 -0.187 1
1 562 . 3 1 1 A 53 53 GLY C C 53 174.323 175.946 -1.623 1
1 563 . 3 1 1 A 53 53 GLY CA C 53 45.675 45.579 0.096 1
1 564 . 3 1 1 A 53 53 GLY N N 53 107.419 115.234 -7.815 1
1 565 . 3 1 1 A 54 54 LEU H H 54 7.703 8.391 -0.688 1
1 566 . 3 1 1 A 54 54 LEU HA H 54 4.405 4.040 0.365 1
1 576 . 3 1 1 A 54 54 LEU C C 54 177.359 178.205 -0.846 1
1 577 . 3 1 1 A 54 54 LEU CA C 54 55.162 58.300 -3.138 1
1 578 . 3 1 1 A 54 54 LEU CB C 54 42.742 41.834 0.908 1
1 582 . 3 1 1 A 54 54 LEU N N 54 121.020 122.374 -1.354 1
1 583 . 3 1 1 A 55 55 GLY H H 55 8.265 8.279 -0.014 1
1 584 . 3 1 1 A 55 55 GLY HA2 H 55 4.112 3.858 0.254 1
1 585 . 3 1 1 A 55 55 GLY HA3 H 55 4.112 3.870 0.242 1
1 586 . 3 1 1 A 55 55 GLY C C 55 174.453 175.107 -0.654 1
1 587 . 3 1 1 A 55 55 GLY CA C 55 45.438 45.825 -0.387 1
1 588 . 3 1 1 A 55 55 GLY N N 55 109.910 105.916 3.994 1
1 589 . 3 1 1 A 56 56 CYS H H 56 10.071 8.403 1.668 1
1 590 . 3 1 1 A 56 56 CYS HA H 56 4.928 4.443 0.485 1
1 593 . 3 1 1 A 56 56 CYS C C 56 177.993 175.317 2.676 1
1 594 . 3 1 1 A 56 56 CYS CA C 56 59.541 59.694 -0.153 1
1 595 . 3 1 1 A 56 56 CYS CB C 56 32.099 28.336 3.763 1
1 596 . 3 1 1 A 56 56 CYS N N 56 124.504 123.080 1.424 1
1 597 . 3 1 1 A 57 57 GLY H H 57 9.174 8.782 0.392 1
1 598 . 3 1 1 A 57 57 GLY HA2 H 57 4.313 3.922 0.391 1
1 599 . 3 1 1 A 57 57 GLY HA3 H 57 3.668 3.934 -0.266 1
1 600 . 3 1 1 A 57 57 GLY C C 57 173.686 173.884 -0.198 1
1 601 . 3 1 1 A 57 57 GLY CA C 57 45.860 45.470 0.390 1
1 602 . 3 1 1 A 57 57 GLY N N 57 114.428 108.757 5.671 1
1 603 . 3 1 1 A 58 58 PHE H H 58 9.036 7.782 1.254 1
1 604 . 3 1 1 A 58 58 PHE HA H 58 4.623 4.858 -0.235 1
1 611 . 3 1 1 A 58 58 PHE C C 58 173.896 174.239 -0.343 1
1 612 . 3 1 1 A 58 58 PHE CA C 58 58.969 56.691 2.278 1
1 613 . 3 1 1 A 58 58 PHE CB C 58 41.132 41.322 -0.190 1
1 614 . 3 1 1 A 58 58 PHE N N 58 125.130 119.881 5.249 1
1 615 . 3 1 1 A 59 59 ALA H H 59 7.570 8.511 -0.941 1
1 616 . 3 1 1 A 59 59 ALA HA H 59 5.486 4.805 0.681 1
1 620 . 3 1 1 A 59 59 ALA C C 59 176.469 177.796 -1.327 1
1 621 . 3 1 1 A 59 59 ALA CA C 59 49.817 52.714 -2.897 1
1 622 . 3 1 1 A 59 59 ALA CB C 59 19.826 19.521 0.305 1
1 623 . 3 1 1 A 59 59 ALA N N 59 128.638 130.250 -1.612 1
1 624 . 3 1 1 A 60 60 PHE H H 60 9.387 8.732 0.655 1
1 625 . 3 1 1 A 60 60 PHE HA H 60 5.204 5.566 -0.362 1
1 632 . 3 1 1 A 60 60 PHE C C 60 172.955 172.594 0.361 1
1 633 . 3 1 1 A 60 60 PHE CA C 60 54.353 55.418 -1.065 1
1 634 . 3 1 1 A 60 60 PHE CB C 60 42.246 41.727 0.519 1
1 637 . 3 1 1 A 60 60 PHE N N 60 121.410 116.225 5.185 1
1 638 . 3 1 1 A 61 61 CYS H H 61 8.772 9.014 -0.242 1
1 639 . 3 1 1 A 61 61 CYS HA H 61 4.754 4.768 -0.014 1
1 642 . 3 1 1 A 61 61 CYS C C 61 177.353 175.082 2.271 1
1 643 . 3 1 1 A 61 61 CYS CA C 61 58.032 57.202 0.830 1
1 644 . 3 1 1 A 61 61 CYS CB C 61 32.242 29.658 2.584 1
1 645 . 3 1 1 A 61 61 CYS N N 61 120.610 120.317 0.293 1
1 646 . 3 1 1 A 62 62 ARG H H 62 9.535 8.577 0.958 1
1 647 . 3 1 1 A 62 62 ARG HA H 62 4.027 3.941 0.086 1
1 654 . 3 1 1 A 62 62 ARG C C 62 175.657 177.635 -1.978 1
1 655 . 3 1 1 A 62 62 ARG CA C 62 59.330 59.624 -0.294 1
1 656 . 3 1 1 A 62 62 ARG CB C 62 31.196 30.032 1.164 1
1 659 . 3 1 1 A 62 62 ARG N N 62 130.041 127.937 2.104 1
1 660 . 3 1 1 A 63 63 GLU H H 63 8.721 8.199 0.522 1
1 661 . 3 1 1 A 63 63 GLU HA H 63 4.394 4.136 0.258 1
1 666 . 3 1 1 A 63 63 GLU C C 63 177.341 177.998 -0.657 1
1 667 . 3 1 1 A 63 63 GLU CA C 63 58.404 59.024 -0.620 1
1 668 . 3 1 1 A 63 63 GLU CB C 63 30.501 29.310 1.191 1
1 670 . 3 1 1 A 63 63 GLU N N 63 118.534 119.303 -0.769 1
1 671 . 3 1 1 A 64 64 CYS H H 64 8.050 7.882 0.168 1
1 672 . 3 1 1 A 64 64 CYS HA H 64 4.962 4.410 0.552 1
1 675 . 3 1 1 A 64 64 CYS C C 64 176.019 175.580 0.439 1
1 676 . 3 1 1 A 64 64 CYS CA C 64 58.858 58.469 0.389 1
1 677 . 3 1 1 A 64 64 CYS CB C 64 32.103 27.107 4.996 1
1 678 . 3 1 1 A 64 64 CYS N N 64 116.495 114.854 1.641 1
1 679 . 3 1 1 A 65 65 LYS H H 65 8.489 8.097 0.392 1
1 680 . 3 1 1 A 65 65 LYS HA H 65 4.191 4.507 -0.316 1
1 687 . 3 1 1 A 65 65 LYS C C 65 174.742 175.489 -0.747 1
1 688 . 3 1 1 A 65 65 LYS CA C 65 58.883 57.271 1.612 1
1 689 . 3 1 1 A 65 65 LYS CB C 65 28.865 30.173 -1.308 1
1 693 . 3 1 1 A 65 65 LYS N N 65 117.320 120.338 -3.018 1
1 694 . 3 1 1 A 66 66 GLU H H 66 8.272 7.496 0.776 1
1 695 . 3 1 1 A 66 66 GLU HA H 66 4.721 4.840 -0.119 1
1 700 . 3 1 1 A 66 66 GLU C C 66 175.422 175.266 0.156 1
1 701 . 3 1 1 A 66 66 GLU CA C 66 55.285 54.520 0.765 1
1 702 . 3 1 1 A 66 66 GLU CB C 66 31.666 32.085 -0.419 1
1 704 . 3 1 1 A 66 66 GLU N N 66 117.719 117.004 0.715 1
1 705 . 3 1 1 A 67 67 ALA H H 67 8.766 8.507 0.259 1
1 706 . 3 1 1 A 67 67 ALA HA H 67 4.177 4.466 -0.289 1
1 710 . 3 1 1 A 67 67 ALA C C 67 177.459 177.059 0.400 1
1 711 . 3 1 1 A 67 67 ALA CA C 67 53.019 53.177 -0.158 1
1 712 . 3 1 1 A 67 67 ALA CB C 67 18.548 19.085 -0.537 1
1 713 . 3 1 1 A 67 67 ALA N N 67 120.597 123.556 -2.959 1
1 714 . 3 1 1 A 68 68 TYR H H 68 8.061 8.892 -0.831 1
1 715 . 3 1 1 A 68 68 TYR HA H 68 4.531 4.413 0.118 1
1 722 . 3 1 1 A 68 68 TYR CA C 68 58.242 59.825 -1.583 1
1 723 . 3 1 1 A 68 68 TYR CB C 68 38.531 39.233 -0.702 1
1 728 . 3 1 1 A 68 68 TYR N N 68 120.592 123.936 -3.344 1
1 729 . 3 1 1 A 69 69 HIS HA H 69 4.643 5.715 -1.072 1
1 734 . 3 1 1 A 69 69 HIS C C 69 173.158 175.719 -2.561 1
1 735 . 3 1 1 A 69 69 HIS CA C 69 51.310 53.352 -2.042 1
1 736 . 3 1 1 A 69 69 HIS CB C 69 32.038 33.175 -1.137 1
1 739 . 3 1 1 A 70 70 GLU H H 70 8.796 9.162 -0.366 1
1 740 . 3 1 1 A 70 70 GLU HA H 70 4.238 4.540 -0.302 1
1 745 . 3 1 1 A 70 70 GLU C C 70 178.838 176.814 2.024 1
1 746 . 3 1 1 A 70 70 GLU CA C 70 55.450 56.966 -1.516 1
1 747 . 3 1 1 A 70 70 GLU CB C 70 30.527 30.120 0.407 1
1 749 . 3 1 1 A 70 70 GLU N N 70 120.194 118.868 1.326 1
1 750 . 3 1 1 A 71 71 GLY H H 71 8.876 7.915 0.961 1
1 751 . 3 1 1 A 71 71 GLY HA2 H 71 4.082 3.990 0.092 1
1 752 . 3 1 1 A 71 71 GLY HA3 H 71 3.910 4.032 -0.122 1
1 753 . 3 1 1 A 71 71 GLY C C 71 173.634 172.634 1.000 1
1 754 . 3 1 1 A 71 71 GLY CA C 71 45.615 45.157 0.458 1
1 755 . 3 1 1 A 71 71 GLY N N 71 111.118 108.563 2.555 1
1 756 . 3 1 1 A 72 72 GLU H H 72 8.391 7.798 0.593 1
1 757 . 3 1 1 A 72 72 GLU HA H 72 4.360 4.455 -0.095 1
1 762 . 3 1 1 A 72 72 GLU C C 72 177.319 175.238 2.081 1
1 763 . 3 1 1 A 72 72 GLU CA C 72 56.571 55.245 1.326 1
1 764 . 3 1 1 A 72 72 GLU CB C 72 30.411 33.448 -3.037 1
1 766 . 3 1 1 A 72 72 GLU N N 72 118.939 120.454 -1.515 1
1 767 . 3 1 1 A 73 73 CYS H H 73 8.574 8.809 -0.235 1
1 768 . 3 1 1 A 73 73 CYS HA H 73 3.770 4.312 -0.542 1
1 771 . 3 1 1 A 73 73 CYS C C 73 176.052 176.565 -0.513 1
1 772 . 3 1 1 A 73 73 CYS CA C 73 60.416 62.372 -1.956 1
1 773 . 3 1 1 A 73 73 CYS CB C 73 30.793 26.779 4.014 1
1 774 . 3 1 1 A 73 73 CYS N N 73 123.479 121.687 1.792 1
1 775 . 3 1 1 A 74 74 SER H H 74 8.541 7.505 1.036 1
1 776 . 3 1 1 A 74 74 SER HA H 74 4.288 4.567 -0.279 1
1 779 . 3 1 1 A 74 74 SER C C 74 174.140 172.951 1.189 1
1 780 . 3 1 1 A 74 74 SER CA C 74 58.591 58.381 0.210 1
1 781 . 3 1 1 A 74 74 SER CB C 74 63.626 62.901 0.725 1
1 782 . 3 1 1 A 74 74 SER N N 74 117.297 113.564 3.733 1
1 783 . 3 1 1 A 75 75 ALA H H 75 8.092 7.909 0.183 1
1 784 . 3 1 1 A 75 75 ALA HA H 75 4.312 4.498 -0.186 1
1 788 . 3 1 1 A 75 75 ALA C C 75 177.173 176.649 0.524 1
1 789 . 3 1 1 A 75 75 ALA CA C 75 52.403 50.488 1.915 1
1 790 . 3 1 1 A 75 75 ALA CB C 75 19.546 20.151 -0.605 1
1 791 . 3 1 1 A 75 75 ALA N N 75 125.952 125.002 0.950 1
1 792 . 3 1 1 A 76 76 VAL H H 76 7.934 8.626 -0.692 1
1 793 . 3 1 1 A 76 76 VAL HA H 76 4.028 4.147 -0.119 1
1 801 . 3 1 1 A 76 76 VAL C C 76 175.784 175.782 0.002 1
1 802 . 3 1 1 A 76 76 VAL CA C 76 62.265 62.936 -0.671 1
1 803 . 3 1 1 A 76 76 VAL CB C 76 32.893 32.426 0.467 1
1 806 . 3 1 1 A 76 76 VAL N N 76 118.959 124.093 -5.134 1
1 807 . 3 1 1 A 77 77 PHE H H 77 8.283 8.891 -0.608 1
1 808 . 3 1 1 A 77 77 PHE HA H 77 4.670 5.198 -0.528 1
1 813 . 3 1 1 A 77 77 PHE C C 77 175.335 173.612 1.723 1
1 814 . 3 1 1 A 77 77 PHE CA C 77 57.588 55.906 1.682 1
1 815 . 3 1 1 A 77 77 PHE CB C 77 39.899 41.068 -1.169 1
1 818 . 3 1 1 A 77 77 PHE N N 77 124.298 125.195 -0.897 1
1 819 . 3 1 1 A 78 78 GLU H H 78 8.262 8.778 -0.516 1
1 820 . 3 1 1 A 78 78 GLU HA H 78 4.251 4.924 -0.673 1
1 825 . 3 1 1 A 78 78 GLU C C 78 175.451 175.275 0.176 1
1 826 . 3 1 1 A 78 78 GLU CA C 78 56.179 53.976 2.203 1
1 827 . 3 1 1 A 78 78 GLU CB C 78 30.676 33.111 -2.435 1
1 829 . 3 1 1 A 78 78 GLU N N 78 123.482 127.368 -3.886 1
1 830 . 3 1 1 A 79 79 ALA H H 79 8.279 8.571 -0.292 1
1 831 . 3 1 1 A 79 79 ALA HA H 79 4.341 4.289 0.052 1
1 835 . 3 1 1 A 79 79 ALA C C 79 176.767 177.631 -0.864 1
1 836 . 3 1 1 A 79 79 ALA CA C 79 52.512 52.669 -0.157 1
1 837 . 3 1 1 A 79 79 ALA CB C 79 19.493 19.166 0.327 1
1 838 . 3 1 1 A 79 79 ALA N N 79 126.363 127.117 -0.754 1
1 6 . 4 1 1 A 2 2 HIS H H 2 7.929 8.052 -0.123 1
1 9 . 4 1 1 A 2 2 HIS CB C 2 31.017 30.566 0.451 1
1 12 . 4 1 1 A 2 2 HIS N N 2 118.946 119.490 -0.544 1
1 13 . 4 1 1 A 3 3 MET HA H 3 4.537 4.531 0.006 1
1 16 . 4 1 1 A 3 3 MET C C 3 176.240 175.488 0.752 1
1 17 . 4 1 1 A 3 3 MET CA C 3 55.681 53.207 2.474 1
1 18 . 4 1 1 A 3 3 MET CB C 3 33.063 34.815 -1.752 1
1 20 . 4 1 1 A 4 4 GLY H H 4 8.155 8.420 -0.265 1
1 21 . 4 1 1 A 4 4 GLY HA2 H 4 4.031 4.200 -0.169 1
1 22 . 4 1 1 A 4 4 GLY HA3 H 4 4.031 4.237 -0.206 1
1 23 . 4 1 1 A 4 4 GLY C C 4 174.348 174.568 -0.220 1
1 24 . 4 1 1 A 4 4 GLY CA C 4 45.418 45.868 -0.450 1
1 25 . 4 1 1 A 4 4 GLY N N 4 108.673 108.849 -0.176 1
1 26 . 4 1 1 A 5 5 GLU H H 5 8.351 8.202 0.149 1
1 27 . 4 1 1 A 5 5 GLU HA H 5 4.275 4.449 -0.174 1
1 32 . 4 1 1 A 5 5 GLU C C 5 177.037 175.344 1.693 1
1 33 . 4 1 1 A 5 5 GLU CA C 5 57.098 55.872 1.226 1
1 34 . 4 1 1 A 5 5 GLU CB C 5 30.282 29.664 0.618 1
1 36 . 4 1 1 A 5 5 GLU N N 5 120.605 118.944 1.661 1
1 37 . 4 1 1 A 6 6 GLU H H 6 8.641 8.058 0.583 1
1 38 . 4 1 1 A 6 6 GLU HA H 6 4.248 3.878 0.370 1
1 43 . 4 1 1 A 6 6 GLU C C 6 176.799 174.944 1.855 1
1 44 . 4 1 1 A 6 6 GLU CA C 6 57.344 57.593 -0.249 1
1 45 . 4 1 1 A 6 6 GLU CB C 6 29.842 27.593 2.249 1
1 47 . 4 1 1 A 6 6 GLU N N 6 121.425 116.930 4.495 1
1 48 . 4 1 1 A 7 7 GLN H H 7 8.304 7.557 0.747 1
1 53 . 4 1 1 A 7 7 GLN C C 7 175.537 173.845 1.692 1
1 54 . 4 1 1 A 7 7 GLN CA C 7 56.292 54.110 2.182 1
1 55 . 4 1 1 A 7 7 GLN CB C 7 29.164 31.027 -1.863 1
1 57 . 4 1 1 A 7 7 GLN N N 7 120.185 114.119 6.066 1
1 59 . 4 1 1 A 8 8 TYR H H 8 8.221 8.769 -0.548 1
1 60 . 4 1 1 A 8 8 TYR HA H 8 4.606 4.762 -0.156 1
1 67 . 4 1 1 A 8 8 TYR C C 8 175.728 175.313 0.415 1
1 68 . 4 1 1 A 8 8 TYR CA C 8 58.138 57.395 0.743 1
1 69 . 4 1 1 A 8 8 TYR CB C 8 38.766 42.123 -3.357 1
1 70 . 4 1 1 A 8 8 TYR N N 8 120.918 122.840 -1.922 1
1 71 . 4 1 1 A 9 9 ASN H H 9 8.288 9.515 -1.227 1
1 72 . 4 1 1 A 9 9 ASN HA H 9 4.654 4.460 0.194 1
1 77 . 4 1 1 A 9 9 ASN C C 9 175.439 174.639 0.800 1
1 78 . 4 1 1 A 9 9 ASN CA C 9 53.435 54.128 -0.693 1
1 79 . 4 1 1 A 9 9 ASN CB C 9 38.790 37.499 1.291 1
1 80 . 4 1 1 A 9 9 ASN N N 9 120.180 121.104 -0.924 1
1 82 . 4 1 1 A 10 10 ARG H H 10 8.128 7.737 0.391 1
1 83 . 4 1 1 A 10 10 ARG HA H 10 4.171 4.968 -0.797 1
1 90 . 4 1 1 A 10 10 ARG C C 10 176.244 174.061 2.183 1
1 91 . 4 1 1 A 10 10 ARG CA C 10 57.023 54.958 2.065 1
1 92 . 4 1 1 A 10 10 ARG CB C 10 30.535 32.850 -2.315 1
1 95 . 4 1 1 A 10 10 ARG N N 10 121.014 118.710 2.304 1
1 96 . 4 1 1 A 11 11 TYR H H 11 8.108 8.953 -0.845 1
1 97 . 4 1 1 A 11 11 TYR HA H 11 4.543 5.308 -0.765 1
1 104 . 4 1 1 A 11 11 TYR C C 11 175.929 173.516 2.413 1
1 105 . 4 1 1 A 11 11 TYR CA C 11 58.219 56.550 1.669 1
1 106 . 4 1 1 A 11 11 TYR CB C 11 38.365 41.972 -3.607 1
1 107 . 4 1 1 A 11 11 TYR N N 11 119.776 127.610 -7.834 1
1 108 . 4 1 1 A 12 12 GLN H H 12 8.050 8.888 -0.838 1
1 109 . 4 1 1 A 12 12 GLN HA H 12 4.269 5.000 -0.731 1
1 116 . 4 1 1 A 12 12 GLN C C 12 175.917 175.228 0.689 1
1 117 . 4 1 1 A 12 12 GLN CA C 12 56.240 55.070 1.170 1
1 118 . 4 1 1 A 12 12 GLN CB C 12 29.463 30.249 -0.786 1
1 120 . 4 1 1 A 12 12 GLN N N 12 120.992 128.152 -7.160 1
1 122 . 4 1 1 A 13 13 GLN H H 13 8.065 8.832 -0.767 1
1 123 . 4 1 1 A 13 13 GLN HA H 13 4.202 5.116 -0.914 1
1 130 . 4 1 1 A 13 13 GLN C C 13 175.644 173.547 2.097 1
1 131 . 4 1 1 A 13 13 GLN CA C 13 56.242 54.847 1.395 1
1 132 . 4 1 1 A 13 13 GLN CB C 13 29.394 32.968 -3.574 1
1 134 . 4 1 1 A 13 13 GLN N N 13 120.539 124.978 -4.439 1
1 136 . 4 1 1 A 14 14 TYR H H 14 8.212 9.106 -0.894 1
1 137 . 4 1 1 A 14 14 TYR HA H 14 4.572 5.002 -0.430 1
1 144 . 4 1 1 A 14 14 TYR C C 14 176.382 174.565 1.817 1
1 145 . 4 1 1 A 14 14 TYR CA C 14 57.958 57.302 0.656 1
1 146 . 4 1 1 A 14 14 TYR CB C 14 38.983 42.039 -3.056 1
1 151 . 4 1 1 A 14 14 TYR N N 14 120.582 124.984 -4.402 1
1 152 . 4 1 1 A 15 15 GLY H H 15 8.405 7.588 0.817 1
1 153 . 4 1 1 A 15 15 GLY HA2 H 15 3.933 3.780 0.153 1
1 154 . 4 1 1 A 15 15 GLY HA3 H 15 3.933 3.972 -0.039 1
1 155 . 4 1 1 A 15 15 GLY C C 15 173.776 173.301 0.475 1
1 156 . 4 1 1 A 15 15 GLY CA C 15 45.407 44.480 0.927 1
1 157 . 4 1 1 A 15 15 GLY N N 15 110.724 111.725 -1.001 1
1 158 . 4 1 1 A 16 16 ALA H H 16 8.160 8.286 -0.126 1
1 159 . 4 1 1 A 16 16 ALA HA H 16 4.302 4.456 -0.154 1
1 163 . 4 1 1 A 16 16 ALA C C 16 178.147 178.078 0.069 1
1 164 . 4 1 1 A 16 16 ALA CA C 16 53.034 51.655 1.379 1
1 165 . 4 1 1 A 16 16 ALA CB C 16 19.392 19.461 -0.069 1
1 166 . 4 1 1 A 16 16 ALA N N 16 123.489 125.599 -2.110 1
1 167 . 4 1 1 A 17 17 GLU H H 17 8.612 8.638 -0.026 1
1 168 . 4 1 1 A 17 17 GLU HA H 17 4.169 4.148 0.021 1
1 173 . 4 1 1 A 17 17 GLU C C 17 177.000 176.263 0.737 1
1 174 . 4 1 1 A 17 17 GLU CA C 17 57.837 58.878 -1.041 1
1 175 . 4 1 1 A 17 17 GLU CB C 17 29.881 29.877 0.004 1
1 177 . 4 1 1 A 17 17 GLU N N 17 119.373 121.907 -2.534 1
1 178 . 4 1 1 A 18 18 GLU H H 18 8.413 7.870 0.543 1
1 179 . 4 1 1 A 18 18 GLU HA H 18 4.210 4.918 -0.708 1
1 184 . 4 1 1 A 18 18 GLU C C 18 177.015 175.415 1.600 1
1 185 . 4 1 1 A 18 18 GLU CA C 18 57.641 55.261 2.380 1
1 186 . 4 1 1 A 18 18 GLU CB C 18 29.980 31.739 -1.759 1
1 188 . 4 1 1 A 18 18 GLU N N 18 120.184 115.786 4.398 1
1 189 . 4 1 1 A 19 19 CYS H H 19 8.253 8.589 -0.336 1
1 190 . 4 1 1 A 19 19 CYS HA H 19 4.381 5.027 -0.646 1
1 193 . 4 1 1 A 19 19 CYS C C 19 175.552 173.525 2.027 1
1 194 . 4 1 1 A 19 19 CYS CA C 19 59.819 58.386 1.433 1
1 195 . 4 1 1 A 19 19 CYS CB C 19 27.554 30.284 -2.730 1
1 196 . 4 1 1 A 19 19 CYS N N 19 119.775 120.109 -0.334 1
1 197 . 4 1 1 A 20 20 VAL H H 20 8.051 8.522 -0.471 1
1 198 . 4 1 1 A 20 20 VAL HA H 20 3.939 3.592 0.347 1
1 206 . 4 1 1 A 20 20 VAL C C 20 173.904 174.822 -0.918 1
1 207 . 4 1 1 A 20 20 VAL CA C 20 64.113 63.136 0.977 1
1 208 . 4 1 1 A 20 20 VAL CB C 20 32.316 29.722 2.594 1
1 211 . 4 1 1 A 20 20 VAL N N 20 121.008 119.184 1.824 1
1 212 . 4 1 1 A 21 21 LEU H H 21 8.190 7.638 0.552 1
1 213 . 4 1 1 A 21 21 LEU HA H 21 4.648 4.678 -0.030 1
1 222 . 4 1 1 A 21 21 LEU CA C 21 54.565 53.090 1.475 1
1 223 . 4 1 1 A 21 21 LEU CB C 21 41.542 44.029 -2.487 1
1 225 . 4 1 1 A 21 21 LEU N N 21 123.470 121.791 1.679 1
1 226 . 4 1 1 A 22 22 GLN H H 22 8.322 8.374 -0.052 1
1 227 . 4 1 1 A 22 22 GLN HA H 22 4.046 4.597 -0.551 1
1 230 . 4 1 1 A 22 22 GLN C C 22 176.428 177.508 -1.080 1
1 231 . 4 1 1 A 22 22 GLN CA C 22 56.800 56.288 0.512 1
1 232 . 4 1 1 A 22 22 GLN CB C 22 29.116 30.732 -1.616 1
1 234 . 4 1 1 A 22 22 GLN N N 22 120.999 118.585 2.414 1
1 236 . 4 1 1 A 23 23 MET H H 23 7.958 7.892 0.066 1
1 237 . 4 1 1 A 23 23 MET HA H 23 4.487 4.372 0.115 1
1 245 . 4 1 1 A 23 23 MET C C 23 176.558 177.061 -0.503 1
1 246 . 4 1 1 A 23 23 MET CA C 23 55.842 57.734 -1.892 1
1 247 . 4 1 1 A 23 23 MET CB C 23 32.712 32.852 -0.140 1
1 250 . 4 1 1 A 23 23 MET N N 23 118.950 116.624 2.326 1
1 251 . 4 1 1 A 24 24 GLY H H 24 8.549 7.810 0.739 1
1 252 . 4 1 1 A 24 24 GLY HA2 H 24 4.163 3.614 0.549 1
1 253 . 4 1 1 A 24 24 GLY HA3 H 24 3.919 3.619 0.300 1
1 254 . 4 1 1 A 24 24 GLY C C 24 174.799 175.760 -0.961 1
1 255 . 4 1 1 A 24 24 GLY CA C 24 45.547 46.894 -1.347 1
1 256 . 4 1 1 A 24 24 GLY N N 24 110.724 107.618 3.106 1
1 257 . 4 1 1 A 25 25 GLY H H 25 8.216 8.724 -0.508 1
1 258 . 4 1 1 A 25 25 GLY HA2 H 25 4.455 3.938 0.517 1
1 259 . 4 1 1 A 25 25 GLY HA3 H 25 3.921 3.948 -0.027 1
1 260 . 4 1 1 A 25 25 GLY C C 25 172.658 174.780 -2.122 1
1 261 . 4 1 1 A 25 25 GLY CA C 25 45.087 46.992 -1.905 1
1 262 . 4 1 1 A 25 25 GLY N N 25 107.443 115.463 -8.020 1
1 263 . 4 1 1 A 26 26 VAL H H 26 8.726 7.848 0.878 1
1 264 . 4 1 1 A 26 26 VAL HA H 26 4.533 4.185 0.348 1
1 272 . 4 1 1 A 26 26 VAL C C 26 172.923 175.772 -2.849 1
1 273 . 4 1 1 A 26 26 VAL CA C 26 59.864 62.135 -2.271 1
1 274 . 4 1 1 A 26 26 VAL CB C 26 35.551 31.767 3.784 1
1 277 . 4 1 1 A 26 26 VAL N N 26 116.467 118.094 -1.627 1
1 278 . 4 1 1 A 27 27 LEU H H 27 8.201 8.733 -0.532 1
1 279 . 4 1 1 A 27 27 LEU HA H 27 5.057 4.508 0.549 1
1 289 . 4 1 1 A 27 27 LEU C C 27 176.746 176.290 0.456 1
1 290 . 4 1 1 A 27 27 LEU CA C 27 53.134 54.311 -1.177 1
1 291 . 4 1 1 A 27 27 LEU CB C 27 42.926 41.762 1.164 1
1 294 . 4 1 1 A 27 27 LEU N N 27 124.428 128.020 -3.592 1
1 295 . 4 1 1 A 28 28 CYS H H 28 8.902 8.322 0.580 1
1 296 . 4 1 1 A 28 28 CYS HA H 28 4.158 4.289 -0.131 1
1 299 . 4 1 1 A 28 28 CYS CA C 28 57.728 57.840 -0.112 1
1 300 . 4 1 1 A 28 28 CYS CB C 28 32.175 28.522 3.653 1
1 301 . 4 1 1 A 28 28 CYS N N 28 127.173 125.255 1.918 1
1 302 . 4 1 1 A 29 29 PRO HA H 29 4.410 4.540 -0.130 1
1 309 . 4 1 1 A 29 29 PRO C C 29 177.459 176.299 1.160 1
1 310 . 4 1 1 A 29 29 PRO CA C 29 62.872 63.940 -1.068 1
1 311 . 4 1 1 A 29 29 PRO CB C 29 32.813 31.622 1.191 1
1 314 . 4 1 1 A 30 30 ARG H H 30 9.132 7.775 1.357 1
1 315 . 4 1 1 A 30 30 ARG HA H 30 4.087 4.402 -0.315 1
1 322 . 4 1 1 A 30 30 ARG CA C 30 55.102 54.231 0.871 1
1 323 . 4 1 1 A 30 30 ARG CB C 30 29.469 29.986 -0.517 1
1 326 . 4 1 1 A 30 30 ARG N N 30 127.589 120.680 6.909 1
1 327 . 4 1 1 A 31 31 PRO HA H 31 4.242 4.257 -0.015 1
1 334 . 4 1 1 A 31 31 PRO C C 31 177.828 177.532 0.296 1
1 335 . 4 1 1 A 31 31 PRO CA C 31 64.202 63.756 0.446 1
1 336 . 4 1 1 A 31 31 PRO CB C 31 31.518 31.260 0.258 1
1 339 . 4 1 1 A 32 32 GLY H H 32 8.773 8.881 -0.108 1
1 340 . 4 1 1 A 32 32 GLY HA2 H 32 4.065 3.893 0.172 1
1 341 . 4 1 1 A 32 32 GLY HA3 H 32 3.706 3.894 -0.188 1
1 342 . 4 1 1 A 32 32 GLY C C 32 173.340 174.228 -0.888 1
1 343 . 4 1 1 A 32 32 GLY CA C 32 45.272 45.168 0.104 1
1 344 . 4 1 1 A 32 32 GLY N N 32 111.942 112.337 -0.395 1
1 345 . 4 1 1 A 33 33 CYS H H 33 7.749 7.764 -0.015 1
1 346 . 4 1 1 A 33 33 CYS HA H 33 4.528 4.497 0.031 1
1 349 . 4 1 1 A 33 33 CYS CA C 33 60.515 58.426 2.089 1
1 350 . 4 1 1 A 33 33 CYS CB C 33 29.641 27.647 1.994 1
1 351 . 4 1 1 A 33 33 CYS N N 33 123.343 120.864 2.479 1
1 352 . 4 1 1 A 34 34 GLY H H 34 8.351 8.821 -0.470 1
1 353 . 4 1 1 A 34 34 GLY HA2 H 34 4.120 4.009 0.111 1
1 354 . 4 1 1 A 34 34 GLY HA3 H 34 3.911 4.016 -0.105 1
1 355 . 4 1 1 A 34 34 GLY C C 34 173.849 175.450 -1.601 1
1 356 . 4 1 1 A 34 34 GLY CA C 34 46.225 46.118 0.107 1
1 357 . 4 1 1 A 34 34 GLY N N 34 106.570 114.937 -8.367 1
1 358 . 4 1 1 A 35 35 ALA H H 35 8.591 7.282 1.309 1
1 359 . 4 1 1 A 35 35 ALA HA H 35 4.091 4.008 0.083 1
1 363 . 4 1 1 A 35 35 ALA C C 35 176.818 178.200 -1.382 1
1 364 . 4 1 1 A 35 35 ALA CA C 35 53.757 55.535 -1.778 1
1 365 . 4 1 1 A 35 35 ALA CB C 35 20.271 18.442 1.829 1
1 366 . 4 1 1 A 35 35 ALA N N 35 125.109 123.276 1.833 1
1 367 . 4 1 1 A 36 36 GLY H H 36 8.348 8.126 0.222 1
1 368 . 4 1 1 A 36 36 GLY HA2 H 36 4.412 3.903 0.509 1
1 369 . 4 1 1 A 36 36 GLY HA3 H 36 3.479 3.911 -0.432 1
1 370 . 4 1 1 A 36 36 GLY C C 36 177.324 174.335 2.989 1
1 371 . 4 1 1 A 36 36 GLY CA C 36 45.847 46.853 -1.006 1
1 372 . 4 1 1 A 36 36 GLY N N 36 106.607 106.512 0.095 1
1 373 . 4 1 1 A 37 37 LEU H H 37 8.190 7.835 0.355 1
1 374 . 4 1 1 A 37 37 LEU HA H 37 4.753 4.485 0.268 1
1 384 . 4 1 1 A 37 37 LEU C C 37 177.064 175.714 1.350 1
1 385 . 4 1 1 A 37 37 LEU CB C 37 44.730 43.236 1.494 1
1 389 . 4 1 1 A 37 37 LEU N N 37 123.541 118.887 4.654 1
1 390 . 4 1 1 A 38 38 LEU H H 38 8.210 8.549 -0.339 1
1 391 . 4 1 1 A 38 38 LEU HA H 38 4.981 4.649 0.332 1
1 401 . 4 1 1 A 38 38 LEU CA C 38 51.755 52.605 -0.850 1
1 402 . 4 1 1 A 38 38 LEU CB C 38 42.309 42.682 -0.373 1
1 405 . 4 1 1 A 38 38 LEU N N 38 124.280 123.785 0.495 1
1 406 . 4 1 1 A 39 39 PRO HA H 39 4.600 4.485 0.115 1
1 413 . 4 1 1 A 39 39 PRO C C 39 176.647 176.712 -0.065 1
1 414 . 4 1 1 A 39 39 PRO CA C 39 62.130 62.252 -0.122 1
1 415 . 4 1 1 A 39 39 PRO CB C 39 32.686 32.142 0.544 1
1 418 . 4 1 1 A 40 40 GLU H H 40 8.631 8.584 0.047 1
1 419 . 4 1 1 A 40 40 GLU HA H 40 4.485 4.402 0.083 1
1 424 . 4 1 1 A 40 40 GLU CA C 40 55.067 55.137 -0.070 1
1 425 . 4 1 1 A 40 40 GLU CB C 40 29.310 29.405 -0.095 1
1 426 . 4 1 1 A 40 40 GLU N N 40 122.240 121.067 1.173 1
1 427 . 4 1 1 A 41 41 PRO HA H 41 3.869 4.433 -0.564 1
1 434 . 4 1 1 A 41 41 PRO C C 41 176.908 175.667 1.241 1
1 435 . 4 1 1 A 41 41 PRO CA C 41 64.772 63.860 0.912 1
1 436 . 4 1 1 A 41 41 PRO CB C 41 32.172 31.293 0.879 1
1 439 . 4 1 1 A 42 42 ASP H H 42 8.486 7.776 0.710 1
1 440 . 4 1 1 A 42 42 ASP HA H 42 4.456 5.023 -0.567 1
1 443 . 4 1 1 A 42 42 ASP C C 42 175.265 175.856 -0.591 1
1 444 . 4 1 1 A 42 42 ASP CA C 42 54.480 53.086 1.394 1
1 445 . 4 1 1 A 42 42 ASP CB C 42 40.139 43.826 -3.687 1
1 446 . 4 1 1 A 42 42 ASP N N 42 114.895 119.392 -4.497 1
1 447 . 4 1 1 A 43 43 GLN H H 43 7.280 9.039 -1.759 1
1 448 . 4 1 1 A 43 43 GLN HA H 43 4.420 4.217 0.203 1
1 455 . 4 1 1 A 43 43 GLN CA C 43 54.877 55.944 -1.067 1
1 456 . 4 1 1 A 43 43 GLN CB C 43 30.219 27.408 2.811 1
1 458 . 4 1 1 A 43 43 GLN N N 43 118.523 124.377 -5.854 1
1 460 . 4 1 1 A 44 44 ARG H H 44 8.207 8.425 -0.218 1
1 461 . 4 1 1 A 44 44 ARG HA H 44 4.206 4.193 0.013 1
1 468 . 4 1 1 A 44 44 ARG C C 44 175.581 176.346 -0.765 1
1 469 . 4 1 1 A 44 44 ARG CA C 44 58.285 58.688 -0.403 1
1 470 . 4 1 1 A 44 44 ARG CB C 44 32.175 30.331 1.844 1
1 473 . 4 1 1 A 44 44 ARG N N 44 120.127 120.470 -0.343 1
1 474 . 4 1 1 A 45 45 LYS H H 45 7.909 7.622 0.287 1
1 475 . 4 1 1 A 45 45 LYS HA H 45 3.985 4.646 -0.661 1
1 484 . 4 1 1 A 45 45 LYS C C 45 174.753 174.029 0.724 1
1 485 . 4 1 1 A 45 45 LYS CA C 45 56.378 55.725 0.653 1
1 486 . 4 1 1 A 45 45 LYS CB C 45 32.190 34.911 -2.721 1
1 490 . 4 1 1 A 45 45 LYS N N 45 118.935 119.437 -0.502 1
1 491 . 4 1 1 A 46 46 VAL H H 46 8.574 8.921 -0.347 1
1 492 . 4 1 1 A 46 46 VAL HA H 46 3.870 4.713 -0.843 1
1 500 . 4 1 1 A 46 46 VAL C C 46 173.589 174.864 -1.275 1
1 501 . 4 1 1 A 46 46 VAL CA C 46 60.777 60.832 -0.055 1
1 502 . 4 1 1 A 46 46 VAL CB C 46 32.263 33.255 -0.992 1
1 505 . 4 1 1 A 46 46 VAL N N 46 130.468 127.025 3.443 1
1 506 . 4 1 1 A 47 47 THR H H 47 8.098 8.879 -0.781 1
1 507 . 4 1 1 A 47 47 THR HA H 47 4.864 4.976 -0.112 1
1 512 . 4 1 1 A 47 47 THR C C 47 173.666 174.971 -1.305 1
1 513 . 4 1 1 A 47 47 THR CA C 47 61.070 60.942 0.128 1
1 514 . 4 1 1 A 47 47 THR CB C 47 69.693 71.103 -1.410 1
1 516 . 4 1 1 A 47 47 THR N N 47 120.392 122.490 -2.098 1
1 517 . 4 1 1 A 48 48 CYS H H 48 8.928 8.992 -0.064 1
1 518 . 4 1 1 A 48 48 CYS HA H 48 4.581 4.681 -0.100 1
1 521 . 4 1 1 A 48 48 CYS C C 48 174.212 176.075 -1.863 1
1 522 . 4 1 1 A 48 48 CYS CA C 48 59.848 60.117 -0.269 1
1 523 . 4 1 1 A 48 48 CYS CB C 48 29.425 28.209 1.216 1
1 524 . 4 1 1 A 48 48 CYS N N 48 130.472 123.305 7.167 1
1 525 . 4 1 1 A 49 49 GLU H H 49 7.552 7.921 -0.369 1
1 526 . 4 1 1 A 49 49 GLU HA H 49 4.647 4.467 0.180 1
1 531 . 4 1 1 A 49 49 GLU C C 49 175.297 177.171 -1.874 1
1 532 . 4 1 1 A 49 49 GLU CA C 49 55.852 56.176 -0.324 1
1 533 . 4 1 1 A 49 49 GLU CB C 49 31.404 31.637 -0.233 1
1 535 . 4 1 1 A 49 49 GLU N N 49 128.705 117.630 11.075 1
1 536 . 4 1 1 A 50 50 GLY H H 50 8.459 8.134 0.325 1
1 537 . 4 1 1 A 50 50 GLY HA2 H 50 4.128 3.806 0.322 1
1 538 . 4 1 1 A 50 50 GLY HA3 H 50 3.916 3.816 0.100 1
1 539 . 4 1 1 A 50 50 GLY C C 50 174.247 174.893 -0.646 1
1 540 . 4 1 1 A 50 50 GLY CA C 50 45.243 47.070 -1.827 1
1 541 . 4 1 1 A 50 50 GLY N N 50 109.953 109.849 0.104 1
1 542 . 4 1 1 A 51 51 GLY H H 51 8.548 8.694 -0.146 1
1 543 . 4 1 1 A 51 51 GLY HA2 H 51 3.991 4.064 -0.073 1
1 544 . 4 1 1 A 51 51 GLY HA3 H 51 3.991 4.065 -0.074 1
1 545 . 4 1 1 A 51 51 GLY C C 51 174.381 172.639 1.742 1
1 546 . 4 1 1 A 51 51 GLY CA C 51 45.714 45.787 -0.073 1
1 547 . 4 1 1 A 51 51 GLY N N 51 109.074 114.435 -5.361 1
1 548 . 4 1 1 A 52 52 ASN H H 52 8.740 7.467 1.273 1
1 549 . 4 1 1 A 52 52 ASN HA H 52 4.566 5.125 -0.559 1
1 554 . 4 1 1 A 52 52 ASN C C 52 175.686 176.058 -0.372 1
1 555 . 4 1 1 A 52 52 ASN CA C 52 53.618 52.055 1.563 1
1 556 . 4 1 1 A 52 52 ASN CB C 52 38.009 42.422 -4.413 1
1 557 . 4 1 1 A 52 52 ASN N N 52 118.415 116.921 1.494 1
1 559 . 4 1 1 A 53 53 GLY H H 53 8.367 8.905 -0.538 1
1 560 . 4 1 1 A 53 53 GLY HA2 H 53 4.101 3.847 0.254 1
1 561 . 4 1 1 A 53 53 GLY HA3 H 53 3.808 3.848 -0.040 1
1 562 . 4 1 1 A 53 53 GLY C C 53 174.323 175.708 -1.385 1
1 563 . 4 1 1 A 53 53 GLY CA C 53 45.675 47.563 -1.888 1
1 564 . 4 1 1 A 53 53 GLY N N 53 107.419 110.513 -3.094 1
1 565 . 4 1 1 A 54 54 LEU H H 54 7.703 7.679 0.024 1
1 566 . 4 1 1 A 54 54 LEU HA H 54 4.405 4.213 0.192 1
1 576 . 4 1 1 A 54 54 LEU C C 54 177.359 177.182 0.177 1
1 577 . 4 1 1 A 54 54 LEU CA C 54 55.162 55.893 -0.731 1
1 578 . 4 1 1 A 54 54 LEU CB C 54 42.742 42.584 0.158 1
1 582 . 4 1 1 A 54 54 LEU N N 54 121.020 120.914 0.106 1
1 583 . 4 1 1 A 55 55 GLY H H 55 8.265 8.533 -0.268 1
1 584 . 4 1 1 A 55 55 GLY HA2 H 55 4.112 4.232 -0.120 1
1 585 . 4 1 1 A 55 55 GLY HA3 H 55 4.112 4.245 -0.133 1
1 586 . 4 1 1 A 55 55 GLY C C 55 174.453 174.455 -0.002 1
1 587 . 4 1 1 A 55 55 GLY CA C 55 45.438 45.467 -0.029 1
1 588 . 4 1 1 A 55 55 GLY N N 55 109.910 108.538 1.372 1
1 589 . 4 1 1 A 56 56 CYS H H 56 10.071 8.910 1.161 1
1 590 . 4 1 1 A 56 56 CYS HA H 56 4.928 4.296 0.632 1
1 593 . 4 1 1 A 56 56 CYS C C 56 177.993 175.106 2.887 1
1 594 . 4 1 1 A 56 56 CYS CA C 56 59.541 60.237 -0.696 1
1 595 . 4 1 1 A 56 56 CYS CB C 56 32.099 28.177 3.922 1
1 596 . 4 1 1 A 56 56 CYS N N 56 124.504 122.172 2.332 1
1 597 . 4 1 1 A 57 57 GLY H H 57 9.174 8.420 0.754 1
1 598 . 4 1 1 A 57 57 GLY HA2 H 57 4.313 3.975 0.338 1
1 599 . 4 1 1 A 57 57 GLY HA3 H 57 3.668 3.992 -0.324 1
1 600 . 4 1 1 A 57 57 GLY C C 57 173.686 173.703 -0.017 1
1 601 . 4 1 1 A 57 57 GLY CA C 57 45.860 45.173 0.687 1
1 602 . 4 1 1 A 57 57 GLY N N 57 114.428 108.571 5.857 1
1 603 . 4 1 1 A 58 58 PHE H H 58 9.036 7.795 1.241 1
1 604 . 4 1 1 A 58 58 PHE HA H 58 4.623 4.850 -0.227 1
1 611 . 4 1 1 A 58 58 PHE C C 58 173.896 174.265 -0.369 1
1 612 . 4 1 1 A 58 58 PHE CA C 58 58.969 56.673 2.296 1
1 613 . 4 1 1 A 58 58 PHE CB C 58 41.132 41.303 -0.171 1
1 614 . 4 1 1 A 58 58 PHE N N 58 125.130 120.317 4.813 1
1 615 . 4 1 1 A 59 59 ALA H H 59 7.570 8.496 -0.926 1
1 616 . 4 1 1 A 59 59 ALA HA H 59 5.486 4.897 0.589 1
1 620 . 4 1 1 A 59 59 ALA C C 59 176.469 177.473 -1.004 1
1 621 . 4 1 1 A 59 59 ALA CA C 59 49.817 52.696 -2.879 1
1 622 . 4 1 1 A 59 59 ALA CB C 59 19.826 19.189 0.637 1
1 623 . 4 1 1 A 59 59 ALA N N 59 128.638 129.697 -1.059 1
1 624 . 4 1 1 A 60 60 PHE H H 60 9.387 8.630 0.757 1
1 625 . 4 1 1 A 60 60 PHE HA H 60 5.204 5.598 -0.394 1
1 632 . 4 1 1 A 60 60 PHE C C 60 172.955 172.256 0.699 1
1 633 . 4 1 1 A 60 60 PHE CA C 60 54.353 55.595 -1.242 1
1 634 . 4 1 1 A 60 60 PHE CB C 60 42.246 41.670 0.576 1
1 637 . 4 1 1 A 60 60 PHE N N 60 121.410 115.657 5.753 1
1 638 . 4 1 1 A 61 61 CYS H H 61 8.772 9.049 -0.277 1
1 639 . 4 1 1 A 61 61 CYS HA H 61 4.754 4.809 -0.055 1
1 642 . 4 1 1 A 61 61 CYS C C 61 177.353 175.166 2.187 1
1 643 . 4 1 1 A 61 61 CYS CA C 61 58.032 57.441 0.591 1
1 644 . 4 1 1 A 61 61 CYS CB C 61 32.242 30.068 2.174 1
1 645 . 4 1 1 A 61 61 CYS N N 61 120.610 120.303 0.307 1
1 646 . 4 1 1 A 62 62 ARG H H 62 9.535 8.604 0.931 1
1 647 . 4 1 1 A 62 62 ARG HA H 62 4.027 3.890 0.137 1
1 654 . 4 1 1 A 62 62 ARG C C 62 175.657 177.592 -1.935 1
1 655 . 4 1 1 A 62 62 ARG CA C 62 59.330 59.399 -0.069 1
1 656 . 4 1 1 A 62 62 ARG CB C 62 31.196 30.011 1.185 1
1 659 . 4 1 1 A 62 62 ARG N N 62 130.041 127.579 2.462 1
1 660 . 4 1 1 A 63 63 GLU H H 63 8.721 8.160 0.561 1
1 661 . 4 1 1 A 63 63 GLU HA H 63 4.394 4.140 0.254 1
1 666 . 4 1 1 A 63 63 GLU C C 63 177.341 177.915 -0.574 1
1 667 . 4 1 1 A 63 63 GLU CA C 63 58.404 59.345 -0.941 1
1 668 . 4 1 1 A 63 63 GLU CB C 63 30.501 29.248 1.253 1
1 670 . 4 1 1 A 63 63 GLU N N 63 118.534 119.692 -1.158 1
1 671 . 4 1 1 A 64 64 CYS H H 64 8.050 7.780 0.270 1
1 672 . 4 1 1 A 64 64 CYS HA H 64 4.962 4.540 0.422 1
1 675 . 4 1 1 A 64 64 CYS C C 64 176.019 175.466 0.553 1
1 676 . 4 1 1 A 64 64 CYS CA C 64 58.858 58.246 0.612 1
1 677 . 4 1 1 A 64 64 CYS CB C 64 32.103 27.485 4.618 1
1 678 . 4 1 1 A 64 64 CYS N N 64 116.495 115.150 1.345 1
1 679 . 4 1 1 A 65 65 LYS H H 65 8.489 8.064 0.425 1
1 680 . 4 1 1 A 65 65 LYS HA H 65 4.191 4.589 -0.398 1
1 687 . 4 1 1 A 65 65 LYS C C 65 174.742 175.407 -0.665 1
1 688 . 4 1 1 A 65 65 LYS CA C 65 58.883 57.285 1.598 1
1 689 . 4 1 1 A 65 65 LYS CB C 65 28.865 30.183 -1.318 1
1 693 . 4 1 1 A 65 65 LYS N N 65 117.320 120.480 -3.160 1
1 694 . 4 1 1 A 66 66 GLU H H 66 8.272 7.492 0.780 1
1 695 . 4 1 1 A 66 66 GLU HA H 66 4.721 4.899 -0.178 1
1 700 . 4 1 1 A 66 66 GLU C C 66 175.422 175.754 -0.332 1
1 701 . 4 1 1 A 66 66 GLU CA C 66 55.285 54.422 0.863 1
1 702 . 4 1 1 A 66 66 GLU CB C 66 31.666 32.586 -0.920 1
1 704 . 4 1 1 A 66 66 GLU N N 66 117.719 119.328 -1.609 1
1 705 . 4 1 1 A 67 67 ALA H H 67 8.766 8.459 0.307 1
1 706 . 4 1 1 A 67 67 ALA HA H 67 4.177 4.473 -0.296 1
1 710 . 4 1 1 A 67 67 ALA C C 67 177.459 176.997 0.462 1
1 711 . 4 1 1 A 67 67 ALA CA C 67 53.019 53.088 -0.069 1
1 712 . 4 1 1 A 67 67 ALA CB C 67 18.548 18.956 -0.408 1
1 713 . 4 1 1 A 67 67 ALA N N 67 120.597 124.441 -3.844 1
1 714 . 4 1 1 A 68 68 TYR H H 68 8.061 8.913 -0.852 1
1 715 . 4 1 1 A 68 68 TYR HA H 68 4.531 4.465 0.066 1
1 722 . 4 1 1 A 68 68 TYR CA C 68 58.242 58.757 -0.515 1
1 723 . 4 1 1 A 68 68 TYR CB C 68 38.531 38.813 -0.282 1
1 728 . 4 1 1 A 68 68 TYR N N 68 120.592 123.906 -3.314 1
1 729 . 4 1 1 A 69 69 HIS HA H 69 4.643 5.203 -0.560 1
1 734 . 4 1 1 A 69 69 HIS C C 69 173.158 174.761 -1.603 1
1 735 . 4 1 1 A 69 69 HIS CA C 69 51.310 54.187 -2.877 1
1 736 . 4 1 1 A 69 69 HIS CB C 69 32.038 31.491 0.547 1
1 739 . 4 1 1 A 70 70 GLU H H 70 8.796 8.887 -0.091 1
1 740 . 4 1 1 A 70 70 GLU HA H 70 4.238 4.012 0.226 1
1 745 . 4 1 1 A 70 70 GLU C C 70 178.838 177.120 1.718 1
1 746 . 4 1 1 A 70 70 GLU CA C 70 55.450 58.304 -2.854 1
1 747 . 4 1 1 A 70 70 GLU CB C 70 30.527 28.952 1.575 1
1 749 . 4 1 1 A 70 70 GLU N N 70 120.194 123.499 -3.305 1
1 750 . 4 1 1 A 71 71 GLY H H 71 8.876 8.338 0.538 1
1 751 . 4 1 1 A 71 71 GLY HA2 H 71 4.082 4.120 -0.038 1
1 752 . 4 1 1 A 71 71 GLY HA3 H 71 3.910 4.151 -0.241 1
1 753 . 4 1 1 A 71 71 GLY C C 71 173.634 171.386 2.248 1
1 754 . 4 1 1 A 71 71 GLY CA C 71 45.615 45.518 0.097 1
1 755 . 4 1 1 A 71 71 GLY N N 71 111.118 111.854 -0.736 1
1 756 . 4 1 1 A 72 72 GLU H H 72 8.391 8.171 0.220 1
1 757 . 4 1 1 A 72 72 GLU HA H 72 4.360 4.601 -0.241 1
1 762 . 4 1 1 A 72 72 GLU C C 72 177.319 175.273 2.046 1
1 763 . 4 1 1 A 72 72 GLU CA C 72 56.571 55.826 0.745 1
1 764 . 4 1 1 A 72 72 GLU CB C 72 30.411 33.210 -2.799 1
1 766 . 4 1 1 A 72 72 GLU N N 72 118.939 119.997 -1.058 1
1 767 . 4 1 1 A 73 73 CYS H H 73 8.574 8.826 -0.252 1
1 768 . 4 1 1 A 73 73 CYS HA H 73 3.770 4.232 -0.462 1
1 771 . 4 1 1 A 73 73 CYS C C 73 176.052 177.153 -1.101 1
1 772 . 4 1 1 A 73 73 CYS CA C 73 60.416 62.324 -1.908 1
1 773 . 4 1 1 A 73 73 CYS CB C 73 30.793 27.132 3.661 1
1 774 . 4 1 1 A 73 73 CYS N N 73 123.479 123.635 -0.156 1
1 775 . 4 1 1 A 74 74 SER H H 74 8.541 8.313 0.228 1
1 776 . 4 1 1 A 74 74 SER HA H 74 4.288 4.153 0.135 1
1 779 . 4 1 1 A 74 74 SER C C 74 174.140 175.651 -1.511 1
1 780 . 4 1 1 A 74 74 SER CA C 74 58.591 61.781 -3.190 1
1 781 . 4 1 1 A 74 74 SER CB C 74 63.626 63.062 0.564 1
1 782 . 4 1 1 A 74 74 SER N N 74 117.297 116.615 0.682 1
1 783 . 4 1 1 A 75 75 ALA H H 75 8.092 7.707 0.385 1
1 784 . 4 1 1 A 75 75 ALA HA H 75 4.312 4.355 -0.043 1
1 788 . 4 1 1 A 75 75 ALA C C 75 177.173 177.739 -0.566 1
1 789 . 4 1 1 A 75 75 ALA CA C 75 52.403 52.000 0.403 1
1 790 . 4 1 1 A 75 75 ALA CB C 75 19.546 18.845 0.701 1
1 791 . 4 1 1 A 75 75 ALA N N 75 125.952 122.047 3.905 1
1 792 . 4 1 1 A 76 76 VAL H H 76 7.934 8.500 -0.566 1
1 793 . 4 1 1 A 76 76 VAL HA H 76 4.028 4.148 -0.120 1
1 801 . 4 1 1 A 76 76 VAL C C 76 175.784 176.100 -0.316 1
1 802 . 4 1 1 A 76 76 VAL CA C 76 62.265 64.111 -1.846 1
1 803 . 4 1 1 A 76 76 VAL CB C 76 32.893 31.566 1.327 1
1 806 . 4 1 1 A 76 76 VAL N N 76 118.959 124.850 -5.891 1
1 807 . 4 1 1 A 77 77 PHE H H 77 8.283 7.898 0.385 1
1 808 . 4 1 1 A 77 77 PHE HA H 77 4.670 4.502 0.168 1
1 813 . 4 1 1 A 77 77 PHE C C 77 175.335 175.685 -0.350 1
1 814 . 4 1 1 A 77 77 PHE CA C 77 57.588 58.050 -0.462 1
1 815 . 4 1 1 A 77 77 PHE CB C 77 39.899 38.403 1.496 1
1 818 . 4 1 1 A 77 77 PHE N N 77 124.298 121.688 2.610 1
1 819 . 4 1 1 A 78 78 GLU H H 78 8.262 8.575 -0.313 1
1 820 . 4 1 1 A 78 78 GLU HA H 78 4.251 4.445 -0.194 1
1 825 . 4 1 1 A 78 78 GLU C C 78 175.451 177.672 -2.221 1
1 826 . 4 1 1 A 78 78 GLU CA C 78 56.179 56.300 -0.121 1
1 827 . 4 1 1 A 78 78 GLU CB C 78 30.676 31.581 -0.905 1
1 829 . 4 1 1 A 78 78 GLU N N 78 123.482 125.016 -1.534 1
1 830 . 4 1 1 A 79 79 ALA H H 79 8.279 8.741 -0.462 1
1 831 . 4 1 1 A 79 79 ALA HA H 79 4.341 4.062 0.279 1
1 835 . 4 1 1 A 79 79 ALA C C 79 176.767 178.285 -1.518 1
1 836 . 4 1 1 A 79 79 ALA CA C 79 52.512 55.784 -3.272 1
1 837 . 4 1 1 A 79 79 ALA CB C 79 19.493 18.732 0.761 1
1 838 . 4 1 1 A 79 79 ALA N N 79 126.363 128.677 -2.314 1
1 6 . 5 1 1 A 2 2 HIS H H 2 7.929 7.961 -0.032 1
1 9 . 5 1 1 A 2 2 HIS CB C 2 31.017 34.100 -3.083 1
1 12 . 5 1 1 A 2 2 HIS N N 2 118.946 118.791 0.155 1
1 13 . 5 1 1 A 3 3 MET HA H 3 4.537 5.176 -0.639 1
1 16 . 5 1 1 A 3 3 MET C C 3 176.240 175.156 1.084 1
1 17 . 5 1 1 A 3 3 MET CA C 3 55.681 54.406 1.275 1
1 18 . 5 1 1 A 3 3 MET CB C 3 33.063 37.852 -4.789 1
1 20 . 5 1 1 A 4 4 GLY H H 4 8.155 8.538 -0.383 1
1 21 . 5 1 1 A 4 4 GLY HA2 H 4 4.031 4.268 -0.237 1
1 22 . 5 1 1 A 4 4 GLY HA3 H 4 4.031 4.270 -0.239 1
1 23 . 5 1 1 A 4 4 GLY C C 4 174.348 171.949 2.399 1
1 24 . 5 1 1 A 4 4 GLY CA C 4 45.418 45.496 -0.078 1
1 25 . 5 1 1 A 4 4 GLY N N 4 108.673 108.066 0.607 1
1 26 . 5 1 1 A 5 5 GLU H H 5 8.351 8.970 -0.619 1
1 27 . 5 1 1 A 5 5 GLU HA H 5 4.275 5.158 -0.883 1
1 32 . 5 1 1 A 5 5 GLU C C 5 177.037 174.077 2.960 1
1 33 . 5 1 1 A 5 5 GLU CA C 5 57.098 55.041 2.057 1
1 34 . 5 1 1 A 5 5 GLU CB C 5 30.282 34.001 -3.719 1
1 36 . 5 1 1 A 5 5 GLU N N 5 120.605 120.955 -0.350 1
1 37 . 5 1 1 A 6 6 GLU H H 6 8.641 8.627 0.014 1
1 38 . 5 1 1 A 6 6 GLU HA H 6 4.248 4.653 -0.405 1
1 43 . 5 1 1 A 6 6 GLU C C 6 176.799 174.904 1.895 1
1 44 . 5 1 1 A 6 6 GLU CA C 6 57.344 56.158 1.186 1
1 45 . 5 1 1 A 6 6 GLU CB C 6 29.842 33.096 -3.254 1
1 47 . 5 1 1 A 6 6 GLU N N 6 121.425 120.280 1.145 1
1 48 . 5 1 1 A 7 7 GLN H H 7 8.304 8.485 -0.181 1
1 53 . 5 1 1 A 7 7 GLN C C 7 175.537 174.831 0.706 1
1 54 . 5 1 1 A 7 7 GLN CA C 7 56.292 55.295 0.997 1
1 55 . 5 1 1 A 7 7 GLN CB C 7 29.164 29.368 -0.204 1
1 57 . 5 1 1 A 7 7 GLN N N 7 120.185 124.544 -4.359 1
1 59 . 5 1 1 A 8 8 TYR H H 8 8.221 8.895 -0.674 1
1 60 . 5 1 1 A 8 8 TYR HA H 8 4.606 5.120 -0.514 1
1 67 . 5 1 1 A 8 8 TYR C C 8 175.728 174.858 0.870 1
1 68 . 5 1 1 A 8 8 TYR CA C 8 58.138 56.859 1.279 1
1 69 . 5 1 1 A 8 8 TYR CB C 8 38.766 40.661 -1.895 1
1 70 . 5 1 1 A 8 8 TYR N N 8 120.918 120.044 0.874 1
1 71 . 5 1 1 A 9 9 ASN H H 9 8.288 8.974 -0.686 1
1 72 . 5 1 1 A 9 9 ASN HA H 9 4.654 5.036 -0.382 1
1 77 . 5 1 1 A 9 9 ASN C C 9 175.439 174.407 1.032 1
1 78 . 5 1 1 A 9 9 ASN CA C 9 53.435 53.086 0.349 1
1 79 . 5 1 1 A 9 9 ASN CB C 9 38.790 41.333 -2.543 1
1 80 . 5 1 1 A 9 9 ASN N N 9 120.180 120.303 -0.123 1
1 82 . 5 1 1 A 10 10 ARG H H 10 8.128 9.226 -1.098 1
1 83 . 5 1 1 A 10 10 ARG HA H 10 4.171 4.147 0.024 1
1 90 . 5 1 1 A 10 10 ARG C C 10 176.244 176.551 -0.307 1
1 91 . 5 1 1 A 10 10 ARG CA C 10 57.023 57.273 -0.250 1
1 92 . 5 1 1 A 10 10 ARG CB C 10 30.535 28.628 1.907 1
1 95 . 5 1 1 A 10 10 ARG N N 10 121.014 125.169 -4.155 1
1 96 . 5 1 1 A 11 11 TYR H H 11 8.108 8.068 0.040 1
1 97 . 5 1 1 A 11 11 TYR HA H 11 4.543 4.227 0.316 1
1 104 . 5 1 1 A 11 11 TYR C C 11 175.929 176.840 -0.911 1
1 105 . 5 1 1 A 11 11 TYR CA C 11 58.219 62.282 -4.063 1
1 106 . 5 1 1 A 11 11 TYR CB C 11 38.365 38.661 -0.296 1
1 107 . 5 1 1 A 11 11 TYR N N 11 119.776 119.333 0.443 1
1 108 . 5 1 1 A 12 12 GLN H H 12 8.050 7.931 0.119 1
1 109 . 5 1 1 A 12 12 GLN HA H 12 4.269 4.280 -0.011 1
1 116 . 5 1 1 A 12 12 GLN C C 12 175.917 175.299 0.618 1
1 117 . 5 1 1 A 12 12 GLN CA C 12 56.240 56.854 -0.614 1
1 118 . 5 1 1 A 12 12 GLN CB C 12 29.463 29.644 -0.181 1
1 120 . 5 1 1 A 12 12 GLN N N 12 120.992 119.233 1.759 1
1 122 . 5 1 1 A 13 13 GLN H H 13 8.065 8.629 -0.564 1
1 123 . 5 1 1 A 13 13 GLN HA H 13 4.202 4.968 -0.766 1
1 130 . 5 1 1 A 13 13 GLN C C 13 175.644 174.329 1.315 1
1 131 . 5 1 1 A 13 13 GLN CA C 13 56.242 54.033 2.209 1
1 132 . 5 1 1 A 13 13 GLN CB C 13 29.394 32.939 -3.545 1
1 134 . 5 1 1 A 13 13 GLN N N 13 120.539 124.940 -4.401 1
1 136 . 5 1 1 A 14 14 TYR H H 14 8.212 9.044 -0.832 1
1 137 . 5 1 1 A 14 14 TYR HA H 14 4.572 5.109 -0.537 1
1 144 . 5 1 1 A 14 14 TYR C C 14 176.382 175.512 0.870 1
1 145 . 5 1 1 A 14 14 TYR CA C 14 57.958 57.209 0.749 1
1 146 . 5 1 1 A 14 14 TYR CB C 14 38.983 41.459 -2.476 1
1 151 . 5 1 1 A 14 14 TYR N N 14 120.582 123.501 -2.919 1
1 152 . 5 1 1 A 15 15 GLY H H 15 8.405 8.303 0.102 1
1 153 . 5 1 1 A 15 15 GLY HA2 H 15 3.933 3.754 0.179 1
1 154 . 5 1 1 A 15 15 GLY HA3 H 15 3.933 3.829 0.104 1
1 155 . 5 1 1 A 15 15 GLY C C 15 173.776 174.032 -0.256 1
1 156 . 5 1 1 A 15 15 GLY CA C 15 45.407 45.137 0.270 1
1 157 . 5 1 1 A 15 15 GLY N N 15 110.724 114.236 -3.512 1
1 158 . 5 1 1 A 16 16 ALA H H 16 8.160 7.867 0.293 1
1 159 . 5 1 1 A 16 16 ALA HA H 16 4.302 4.483 -0.181 1
1 163 . 5 1 1 A 16 16 ALA C C 16 178.147 177.827 0.320 1
1 164 . 5 1 1 A 16 16 ALA CA C 16 53.034 50.825 2.209 1
1 165 . 5 1 1 A 16 16 ALA CB C 16 19.392 20.378 -0.986 1
1 166 . 5 1 1 A 16 16 ALA N N 16 123.489 122.789 0.700 1
1 167 . 5 1 1 A 17 17 GLU H H 17 8.612 8.825 -0.213 1
1 168 . 5 1 1 A 17 17 GLU HA H 17 4.169 3.980 0.189 1
1 173 . 5 1 1 A 17 17 GLU C C 17 177.000 177.170 -0.170 1
1 174 . 5 1 1 A 17 17 GLU CA C 17 57.837 59.677 -1.840 1
1 175 . 5 1 1 A 17 17 GLU CB C 17 29.881 29.527 0.354 1
1 177 . 5 1 1 A 17 17 GLU N N 17 119.373 123.697 -4.324 1
1 178 . 5 1 1 A 18 18 GLU H H 18 8.413 8.033 0.380 1
1 179 . 5 1 1 A 18 18 GLU HA H 18 4.210 4.746 -0.536 1
1 184 . 5 1 1 A 18 18 GLU C C 18 177.015 175.574 1.441 1
1 185 . 5 1 1 A 18 18 GLU CA C 18 57.641 55.100 2.541 1
1 186 . 5 1 1 A 18 18 GLU CB C 18 29.980 31.312 -1.332 1
1 188 . 5 1 1 A 18 18 GLU N N 18 120.184 117.500 2.684 1
1 189 . 5 1 1 A 19 19 CYS H H 19 8.253 8.751 -0.498 1
1 190 . 5 1 1 A 19 19 CYS HA H 19 4.381 4.737 -0.356 1
1 193 . 5 1 1 A 19 19 CYS C C 19 175.552 174.331 1.221 1
1 194 . 5 1 1 A 19 19 CYS CA C 19 59.819 58.808 1.011 1
1 195 . 5 1 1 A 19 19 CYS CB C 19 27.554 30.244 -2.690 1
1 196 . 5 1 1 A 19 19 CYS N N 19 119.775 119.933 -0.158 1
1 197 . 5 1 1 A 20 20 VAL H H 20 8.051 8.641 -0.590 1
1 198 . 5 1 1 A 20 20 VAL HA H 20 3.939 3.850 0.089 1
1 206 . 5 1 1 A 20 20 VAL C C 20 173.904 175.081 -1.177 1
1 207 . 5 1 1 A 20 20 VAL CA C 20 64.113 63.244 0.869 1
1 208 . 5 1 1 A 20 20 VAL CB C 20 32.316 29.697 2.619 1
1 211 . 5 1 1 A 20 20 VAL N N 20 121.008 124.652 -3.644 1
1 212 . 5 1 1 A 21 21 LEU H H 21 8.190 7.851 0.339 1
1 213 . 5 1 1 A 21 21 LEU HA H 21 4.648 4.580 0.068 1
1 222 . 5 1 1 A 21 21 LEU CA C 21 54.565 54.007 0.558 1
1 223 . 5 1 1 A 21 21 LEU CB C 21 41.542 43.487 -1.945 1
1 225 . 5 1 1 A 21 21 LEU N N 21 123.470 123.423 0.047 1
1 226 . 5 1 1 A 22 22 GLN H H 22 8.322 8.864 -0.542 1
1 227 . 5 1 1 A 22 22 GLN HA H 22 4.046 3.781 0.265 1
1 230 . 5 1 1 A 22 22 GLN C C 22 176.428 175.039 1.389 1
1 231 . 5 1 1 A 22 22 GLN CA C 22 56.800 56.954 -0.154 1
1 232 . 5 1 1 A 22 22 GLN CB C 22 29.116 27.396 1.720 1
1 234 . 5 1 1 A 22 22 GLN N N 22 120.999 118.509 2.490 1
1 236 . 5 1 1 A 23 23 MET H H 23 7.958 7.933 0.025 1
1 237 . 5 1 1 A 23 23 MET HA H 23 4.487 4.627 -0.140 1
1 245 . 5 1 1 A 23 23 MET C C 23 176.558 176.004 0.554 1
1 246 . 5 1 1 A 23 23 MET CA C 23 55.842 55.977 -0.135 1
1 247 . 5 1 1 A 23 23 MET CB C 23 32.712 33.813 -1.101 1
1 250 . 5 1 1 A 23 23 MET N N 23 118.950 118.513 0.437 1
1 251 . 5 1 1 A 24 24 GLY H H 24 8.549 8.442 0.107 1
1 252 . 5 1 1 A 24 24 GLY HA2 H 24 4.163 4.145 0.018 1
1 253 . 5 1 1 A 24 24 GLY HA3 H 24 3.919 4.152 -0.233 1
1 254 . 5 1 1 A 24 24 GLY C C 24 174.799 173.738 1.061 1
1 255 . 5 1 1 A 24 24 GLY CA C 24 45.547 45.788 -0.241 1
1 256 . 5 1 1 A 24 24 GLY N N 24 110.724 110.446 0.278 1
1 257 . 5 1 1 A 25 25 GLY H H 25 8.216 8.012 0.204 1
1 258 . 5 1 1 A 25 25 GLY HA2 H 25 4.455 3.893 0.562 1
1 259 . 5 1 1 A 25 25 GLY HA3 H 25 3.921 3.905 0.016 1
1 260 . 5 1 1 A 25 25 GLY C C 25 172.658 174.370 -1.712 1
1 261 . 5 1 1 A 25 25 GLY CA C 25 45.087 46.066 -0.979 1
1 262 . 5 1 1 A 25 25 GLY N N 25 107.443 113.343 -5.900 1
1 263 . 5 1 1 A 26 26 VAL H H 26 8.726 8.205 0.521 1
1 264 . 5 1 1 A 26 26 VAL HA H 26 4.533 4.761 -0.228 1
1 272 . 5 1 1 A 26 26 VAL C C 26 172.923 173.168 -0.245 1
1 273 . 5 1 1 A 26 26 VAL CA C 26 59.864 59.623 0.241 1
1 274 . 5 1 1 A 26 26 VAL CB C 26 35.551 35.599 -0.048 1
1 277 . 5 1 1 A 26 26 VAL N N 26 116.467 123.057 -6.590 1
1 278 . 5 1 1 A 27 27 LEU H H 27 8.201 8.770 -0.569 1
1 279 . 5 1 1 A 27 27 LEU HA H 27 5.057 5.025 0.032 1
1 289 . 5 1 1 A 27 27 LEU C C 27 176.746 175.663 1.083 1
1 290 . 5 1 1 A 27 27 LEU CA C 27 53.134 53.298 -0.164 1
1 291 . 5 1 1 A 27 27 LEU CB C 27 42.926 44.443 -1.517 1
1 294 . 5 1 1 A 27 27 LEU N N 27 124.428 127.011 -2.583 1
1 295 . 5 1 1 A 28 28 CYS H H 28 8.902 8.382 0.520 1
1 296 . 5 1 1 A 28 28 CYS HA H 28 4.158 4.360 -0.202 1
1 299 . 5 1 1 A 28 28 CYS CA C 28 57.728 56.454 1.274 1
1 300 . 5 1 1 A 28 28 CYS CB C 28 32.175 29.041 3.134 1
1 301 . 5 1 1 A 28 28 CYS N N 28 127.173 121.867 5.306 1
1 302 . 5 1 1 A 29 29 PRO HA H 29 4.410 4.406 0.004 1
1 309 . 5 1 1 A 29 29 PRO C C 29 177.459 176.308 1.151 1
1 310 . 5 1 1 A 29 29 PRO CA C 29 62.872 64.145 -1.273 1
1 311 . 5 1 1 A 29 29 PRO CB C 29 32.813 31.694 1.119 1
1 314 . 5 1 1 A 30 30 ARG H H 30 9.132 7.532 1.600 1
1 315 . 5 1 1 A 30 30 ARG HA H 30 4.087 4.361 -0.274 1
1 322 . 5 1 1 A 30 30 ARG CA C 30 55.102 54.809 0.293 1
1 323 . 5 1 1 A 30 30 ARG CB C 30 29.469 29.570 -0.101 1
1 326 . 5 1 1 A 30 30 ARG N N 30 127.589 120.431 7.158 1
1 327 . 5 1 1 A 31 31 PRO HA H 31 4.242 4.258 -0.016 1
1 334 . 5 1 1 A 31 31 PRO C C 31 177.828 177.485 0.343 1
1 335 . 5 1 1 A 31 31 PRO CA C 31 64.202 63.584 0.618 1
1 336 . 5 1 1 A 31 31 PRO CB C 31 31.518 31.566 -0.048 1
1 339 . 5 1 1 A 32 32 GLY H H 32 8.773 8.842 -0.069 1
1 340 . 5 1 1 A 32 32 GLY HA2 H 32 4.065 3.890 0.175 1
1 341 . 5 1 1 A 32 32 GLY HA3 H 32 3.706 3.892 -0.186 1
1 342 . 5 1 1 A 32 32 GLY C C 32 173.340 174.012 -0.672 1
1 343 . 5 1 1 A 32 32 GLY CA C 32 45.272 46.485 -1.213 1
1 344 . 5 1 1 A 32 32 GLY N N 32 111.942 111.767 0.175 1
1 345 . 5 1 1 A 33 33 CYS H H 33 7.749 7.387 0.362 1
1 346 . 5 1 1 A 33 33 CYS HA H 33 4.528 4.732 -0.204 1
1 349 . 5 1 1 A 33 33 CYS CA C 33 60.515 57.743 2.772 1
1 350 . 5 1 1 A 33 33 CYS CB C 33 29.641 28.672 0.969 1
1 351 . 5 1 1 A 33 33 CYS N N 33 123.343 119.801 3.542 1
1 352 . 5 1 1 A 34 34 GLY H H 34 8.351 8.856 -0.505 1
1 353 . 5 1 1 A 34 34 GLY HA2 H 34 4.120 3.956 0.164 1
1 354 . 5 1 1 A 34 34 GLY HA3 H 34 3.911 3.968 -0.057 1
1 355 . 5 1 1 A 34 34 GLY C C 34 173.849 175.453 -1.604 1
1 356 . 5 1 1 A 34 34 GLY CA C 34 46.225 46.355 -0.130 1
1 357 . 5 1 1 A 34 34 GLY N N 34 106.570 115.057 -8.487 1
1 358 . 5 1 1 A 35 35 ALA H H 35 8.591 7.723 0.868 1
1 359 . 5 1 1 A 35 35 ALA HA H 35 4.091 3.941 0.150 1
1 363 . 5 1 1 A 35 35 ALA C C 35 176.818 178.124 -1.306 1
1 364 . 5 1 1 A 35 35 ALA CA C 35 53.757 55.362 -1.605 1
1 365 . 5 1 1 A 35 35 ALA CB C 35 20.271 18.407 1.864 1
1 366 . 5 1 1 A 35 35 ALA N N 35 125.109 122.932 2.177 1
1 367 . 5 1 1 A 36 36 GLY H H 36 8.348 8.112 0.236 1
1 368 . 5 1 1 A 36 36 GLY HA2 H 36 4.412 3.884 0.528 1
1 369 . 5 1 1 A 36 36 GLY HA3 H 36 3.479 3.888 -0.409 1
1 370 . 5 1 1 A 36 36 GLY C C 36 177.324 173.650 3.674 1
1 371 . 5 1 1 A 36 36 GLY CA C 36 45.847 46.956 -1.109 1
1 372 . 5 1 1 A 36 36 GLY N N 36 106.607 105.890 0.717 1
1 373 . 5 1 1 A 37 37 LEU H H 37 8.190 7.331 0.859 1
1 374 . 5 1 1 A 37 37 LEU HA H 37 4.753 4.941 -0.188 1
1 384 . 5 1 1 A 37 37 LEU C C 37 177.064 175.388 1.676 1
1 385 . 5 1 1 A 37 37 LEU CB C 37 44.730 45.705 -0.975 1
1 389 . 5 1 1 A 37 37 LEU N N 37 123.541 115.049 8.492 1
1 390 . 5 1 1 A 38 38 LEU H H 38 8.210 8.824 -0.614 1
1 391 . 5 1 1 A 38 38 LEU HA H 38 4.981 4.840 0.141 1
1 401 . 5 1 1 A 38 38 LEU CA C 38 51.755 51.966 -0.211 1
1 402 . 5 1 1 A 38 38 LEU CB C 38 42.309 42.097 0.212 1
1 405 . 5 1 1 A 38 38 LEU N N 38 124.280 121.223 3.057 1
1 406 . 5 1 1 A 39 39 PRO HA H 39 4.600 4.463 0.137 1
1 413 . 5 1 1 A 39 39 PRO C C 39 176.647 176.934 -0.287 1
1 414 . 5 1 1 A 39 39 PRO CA C 39 62.130 62.696 -0.566 1
1 415 . 5 1 1 A 39 39 PRO CB C 39 32.686 31.967 0.719 1
1 418 . 5 1 1 A 40 40 GLU H H 40 8.631 8.543 0.088 1
1 419 . 5 1 1 A 40 40 GLU HA H 40 4.485 4.372 0.113 1
1 424 . 5 1 1 A 40 40 GLU CA C 40 55.067 55.218 -0.151 1
1 425 . 5 1 1 A 40 40 GLU CB C 40 29.310 29.602 -0.292 1
1 426 . 5 1 1 A 40 40 GLU N N 40 122.240 121.043 1.197 1
1 427 . 5 1 1 A 41 41 PRO HA H 41 3.869 4.417 -0.548 1
1 434 . 5 1 1 A 41 41 PRO C C 41 176.908 176.076 0.832 1
1 435 . 5 1 1 A 41 41 PRO CA C 41 64.772 63.908 0.864 1
1 436 . 5 1 1 A 41 41 PRO CB C 41 32.172 31.435 0.737 1
1 439 . 5 1 1 A 42 42 ASP H H 42 8.486 7.673 0.813 1
1 440 . 5 1 1 A 42 42 ASP HA H 42 4.456 4.893 -0.437 1
1 443 . 5 1 1 A 42 42 ASP C C 42 175.265 175.827 -0.562 1
1 444 . 5 1 1 A 42 42 ASP CA C 42 54.480 53.642 0.838 1
1 445 . 5 1 1 A 42 42 ASP CB C 42 40.139 43.286 -3.147 1
1 446 . 5 1 1 A 42 42 ASP N N 42 114.895 118.430 -3.535 1
1 447 . 5 1 1 A 43 43 GLN H H 43 7.280 9.053 -1.773 1
1 448 . 5 1 1 A 43 43 GLN HA H 43 4.420 4.051 0.369 1
1 455 . 5 1 1 A 43 43 GLN CA C 43 54.877 58.232 -3.355 1
1 456 . 5 1 1 A 43 43 GLN CB C 43 30.219 28.190 2.029 1
1 458 . 5 1 1 A 43 43 GLN N N 43 118.523 123.863 -5.340 1
1 460 . 5 1 1 A 44 44 ARG H H 44 8.207 8.434 -0.227 1
1 461 . 5 1 1 A 44 44 ARG HA H 44 4.206 4.231 -0.025 1
1 468 . 5 1 1 A 44 44 ARG C C 44 175.581 176.148 -0.567 1
1 469 . 5 1 1 A 44 44 ARG CA C 44 58.285 58.827 -0.542 1
1 470 . 5 1 1 A 44 44 ARG CB C 44 32.175 29.862 2.313 1
1 473 . 5 1 1 A 44 44 ARG N N 44 120.127 119.552 0.575 1
1 474 . 5 1 1 A 45 45 LYS H H 45 7.909 7.879 0.030 1
1 475 . 5 1 1 A 45 45 LYS HA H 45 3.985 4.617 -0.632 1
1 484 . 5 1 1 A 45 45 LYS C C 45 174.753 174.279 0.474 1
1 485 . 5 1 1 A 45 45 LYS CA C 45 56.378 55.431 0.947 1
1 486 . 5 1 1 A 45 45 LYS CB C 45 32.190 34.490 -2.300 1
1 490 . 5 1 1 A 45 45 LYS N N 45 118.935 118.501 0.434 1
1 491 . 5 1 1 A 46 46 VAL H H 46 8.574 8.992 -0.418 1
1 492 . 5 1 1 A 46 46 VAL HA H 46 3.870 4.773 -0.903 1
1 500 . 5 1 1 A 46 46 VAL C C 46 173.589 174.685 -1.096 1
1 501 . 5 1 1 A 46 46 VAL CA C 46 60.777 60.865 -0.088 1
1 502 . 5 1 1 A 46 46 VAL CB C 46 32.263 33.659 -1.396 1
1 505 . 5 1 1 A 46 46 VAL N N 46 130.468 125.455 5.013 1
1 506 . 5 1 1 A 47 47 THR H H 47 8.098 8.973 -0.875 1
1 507 . 5 1 1 A 47 47 THR HA H 47 4.864 4.590 0.274 1
1 512 . 5 1 1 A 47 47 THR C C 47 173.666 175.460 -1.794 1
1 513 . 5 1 1 A 47 47 THR CA C 47 61.070 62.089 -1.019 1
1 514 . 5 1 1 A 47 47 THR CB C 47 69.693 69.632 0.061 1
1 516 . 5 1 1 A 47 47 THR N N 47 120.392 122.961 -2.569 1
1 517 . 5 1 1 A 48 48 CYS H H 48 8.928 9.401 -0.473 1
1 518 . 5 1 1 A 48 48 CYS HA H 48 4.581 4.653 -0.072 1
1 521 . 5 1 1 A 48 48 CYS C C 48 174.212 176.600 -2.388 1
1 522 . 5 1 1 A 48 48 CYS CA C 48 59.848 60.921 -1.073 1
1 523 . 5 1 1 A 48 48 CYS CB C 48 29.425 27.468 1.957 1
1 524 . 5 1 1 A 48 48 CYS N N 48 130.472 125.257 5.215 1
1 525 . 5 1 1 A 49 49 GLU H H 49 7.552 8.025 -0.473 1
1 526 . 5 1 1 A 49 49 GLU HA H 49 4.647 4.516 0.131 1
1 531 . 5 1 1 A 49 49 GLU C C 49 175.297 176.612 -1.315 1
1 532 . 5 1 1 A 49 49 GLU CA C 49 55.852 58.663 -2.811 1
1 533 . 5 1 1 A 49 49 GLU CB C 49 31.404 29.166 2.238 1
1 535 . 5 1 1 A 49 49 GLU N N 49 128.705 121.310 7.395 1
1 536 . 5 1 1 A 50 50 GLY H H 50 8.459 7.929 0.530 1
1 537 . 5 1 1 A 50 50 GLY HA2 H 50 4.128 3.904 0.224 1
1 538 . 5 1 1 A 50 50 GLY HA3 H 50 3.916 3.911 0.005 1
1 539 . 5 1 1 A 50 50 GLY C C 50 174.247 175.015 -0.768 1
1 540 . 5 1 1 A 50 50 GLY CA C 50 45.243 47.273 -2.030 1
1 541 . 5 1 1 A 50 50 GLY N N 50 109.953 107.438 2.515 1
1 542 . 5 1 1 A 51 51 GLY H H 51 8.548 8.672 -0.124 1
1 543 . 5 1 1 A 51 51 GLY HA2 H 51 3.991 4.117 -0.126 1
1 544 . 5 1 1 A 51 51 GLY HA3 H 51 3.991 4.118 -0.127 1
1 545 . 5 1 1 A 51 51 GLY C C 51 174.381 175.535 -1.154 1
1 546 . 5 1 1 A 51 51 GLY CA C 51 45.714 45.519 0.195 1
1 547 . 5 1 1 A 51 51 GLY N N 51 109.074 114.730 -5.656 1
1 548 . 5 1 1 A 52 52 ASN H H 52 8.740 8.553 0.187 1
1 549 . 5 1 1 A 52 52 ASN HA H 52 4.566 4.524 0.042 1
1 554 . 5 1 1 A 52 52 ASN C C 52 175.686 176.691 -1.005 1
1 555 . 5 1 1 A 52 52 ASN CA C 52 53.618 55.759 -2.141 1
1 556 . 5 1 1 A 52 52 ASN CB C 52 38.009 38.608 -0.599 1
1 557 . 5 1 1 A 52 52 ASN N N 52 118.415 119.968 -1.553 1
1 559 . 5 1 1 A 53 53 GLY H H 53 8.367 7.421 0.946 1
1 560 . 5 1 1 A 53 53 GLY HA2 H 53 4.101 4.084 0.017 1
1 561 . 5 1 1 A 53 53 GLY HA3 H 53 3.808 4.085 -0.277 1
1 562 . 5 1 1 A 53 53 GLY C C 53 174.323 173.600 0.723 1
1 563 . 5 1 1 A 53 53 GLY CA C 53 45.675 45.298 0.377 1
1 564 . 5 1 1 A 53 53 GLY N N 53 107.419 104.491 2.928 1
1 565 . 5 1 1 A 54 54 LEU H H 54 7.703 7.849 -0.146 1
1 566 . 5 1 1 A 54 54 LEU HA H 54 4.405 4.818 -0.413 1
1 576 . 5 1 1 A 54 54 LEU C C 54 177.359 176.038 1.321 1
1 577 . 5 1 1 A 54 54 LEU CA C 54 55.162 53.511 1.651 1
1 578 . 5 1 1 A 54 54 LEU CB C 54 42.742 45.648 -2.906 1
1 582 . 5 1 1 A 54 54 LEU N N 54 121.020 121.166 -0.146 1
1 583 . 5 1 1 A 55 55 GLY H H 55 8.265 8.638 -0.373 1
1 584 . 5 1 1 A 55 55 GLY HA2 H 55 4.112 4.258 -0.146 1
1 585 . 5 1 1 A 55 55 GLY HA3 H 55 4.112 4.268 -0.156 1
1 586 . 5 1 1 A 55 55 GLY C C 55 174.453 174.562 -0.109 1
1 587 . 5 1 1 A 55 55 GLY CA C 55 45.438 45.235 0.203 1
1 588 . 5 1 1 A 55 55 GLY N N 55 109.910 108.557 1.353 1
1 589 . 5 1 1 A 56 56 CYS H H 56 10.071 8.153 1.918 1
1 590 . 5 1 1 A 56 56 CYS HA H 56 4.928 4.280 0.648 1
1 593 . 5 1 1 A 56 56 CYS C C 56 177.993 175.498 2.495 1
1 594 . 5 1 1 A 56 56 CYS CA C 56 59.541 60.387 -0.846 1
1 595 . 5 1 1 A 56 56 CYS CB C 56 32.099 28.676 3.423 1
1 596 . 5 1 1 A 56 56 CYS N N 56 124.504 122.286 2.218 1
1 597 . 5 1 1 A 57 57 GLY H H 57 9.174 8.367 0.807 1
1 598 . 5 1 1 A 57 57 GLY HA2 H 57 4.313 4.032 0.281 1
1 599 . 5 1 1 A 57 57 GLY HA3 H 57 3.668 4.038 -0.370 1
1 600 . 5 1 1 A 57 57 GLY C C 57 173.686 173.869 -0.183 1
1 601 . 5 1 1 A 57 57 GLY CA C 57 45.860 45.525 0.335 1
1 602 . 5 1 1 A 57 57 GLY N N 57 114.428 109.983 4.445 1
1 603 . 5 1 1 A 58 58 PHE H H 58 9.036 7.744 1.292 1
1 604 . 5 1 1 A 58 58 PHE HA H 58 4.623 4.918 -0.295 1
1 611 . 5 1 1 A 58 58 PHE C C 58 173.896 174.373 -0.477 1
1 612 . 5 1 1 A 58 58 PHE CA C 58 58.969 57.018 1.951 1
1 613 . 5 1 1 A 58 58 PHE CB C 58 41.132 41.484 -0.352 1
1 614 . 5 1 1 A 58 58 PHE N N 58 125.130 119.343 5.787 1
1 615 . 5 1 1 A 59 59 ALA H H 59 7.570 8.515 -0.945 1
1 616 . 5 1 1 A 59 59 ALA HA H 59 5.486 4.958 0.528 1
1 620 . 5 1 1 A 59 59 ALA C C 59 176.469 177.656 -1.187 1
1 621 . 5 1 1 A 59 59 ALA CA C 59 49.817 52.583 -2.766 1
1 622 . 5 1 1 A 59 59 ALA CB C 59 19.826 19.473 0.353 1
1 623 . 5 1 1 A 59 59 ALA N N 59 128.638 130.470 -1.832 1
1 624 . 5 1 1 A 60 60 PHE H H 60 9.387 8.563 0.824 1
1 625 . 5 1 1 A 60 60 PHE HA H 60 5.204 5.553 -0.349 1
1 632 . 5 1 1 A 60 60 PHE C C 60 172.955 172.496 0.459 1
1 633 . 5 1 1 A 60 60 PHE CA C 60 54.353 55.355 -1.002 1
1 634 . 5 1 1 A 60 60 PHE CB C 60 42.246 41.749 0.497 1
1 637 . 5 1 1 A 60 60 PHE N N 60 121.410 116.384 5.026 1
1 638 . 5 1 1 A 61 61 CYS H H 61 8.772 9.017 -0.245 1
1 639 . 5 1 1 A 61 61 CYS HA H 61 4.754 4.774 -0.020 1
1 642 . 5 1 1 A 61 61 CYS C C 61 177.353 175.812 1.541 1
1 643 . 5 1 1 A 61 61 CYS CA C 61 58.032 57.344 0.688 1
1 644 . 5 1 1 A 61 61 CYS CB C 61 32.242 29.783 2.459 1
1 645 . 5 1 1 A 61 61 CYS N N 61 120.610 120.319 0.291 1
1 646 . 5 1 1 A 62 62 ARG H H 62 9.535 8.640 0.895 1
1 647 . 5 1 1 A 62 62 ARG HA H 62 4.027 4.160 -0.133 1
1 654 . 5 1 1 A 62 62 ARG C C 62 175.657 178.412 -2.755 1
1 655 . 5 1 1 A 62 62 ARG CA C 62 59.330 58.362 0.968 1
1 656 . 5 1 1 A 62 62 ARG CB C 62 31.196 29.750 1.446 1
1 659 . 5 1 1 A 62 62 ARG N N 62 130.041 126.752 3.289 1
1 660 . 5 1 1 A 63 63 GLU H H 63 8.721 7.386 1.335 1
1 661 . 5 1 1 A 63 63 GLU HA H 63 4.394 4.120 0.274 1
1 666 . 5 1 1 A 63 63 GLU C C 63 177.341 178.361 -1.020 1
1 667 . 5 1 1 A 63 63 GLU CA C 63 58.404 59.279 -0.875 1
1 668 . 5 1 1 A 63 63 GLU CB C 63 30.501 29.954 0.547 1
1 670 . 5 1 1 A 63 63 GLU N N 63 118.534 118.393 0.141 1
1 671 . 5 1 1 A 64 64 CYS H H 64 8.050 7.828 0.222 1
1 672 . 5 1 1 A 64 64 CYS HA H 64 4.962 4.607 0.355 1
1 675 . 5 1 1 A 64 64 CYS C C 64 176.019 175.429 0.590 1
1 676 . 5 1 1 A 64 64 CYS CA C 64 58.858 58.157 0.701 1
1 677 . 5 1 1 A 64 64 CYS CB C 64 32.103 27.659 4.444 1
1 678 . 5 1 1 A 64 64 CYS N N 64 116.495 115.094 1.401 1
1 679 . 5 1 1 A 65 65 LYS H H 65 8.489 8.056 0.433 1
1 680 . 5 1 1 A 65 65 LYS HA H 65 4.191 4.534 -0.343 1
1 687 . 5 1 1 A 65 65 LYS C C 65 174.742 175.375 -0.633 1
1 688 . 5 1 1 A 65 65 LYS CA C 65 58.883 57.259 1.624 1
1 689 . 5 1 1 A 65 65 LYS CB C 65 28.865 30.193 -1.328 1
1 693 . 5 1 1 A 65 65 LYS N N 65 117.320 120.205 -2.885 1
1 694 . 5 1 1 A 66 66 GLU H H 66 8.272 7.395 0.877 1
1 695 . 5 1 1 A 66 66 GLU HA H 66 4.721 4.891 -0.170 1
1 700 . 5 1 1 A 66 66 GLU C C 66 175.422 175.819 -0.397 1
1 701 . 5 1 1 A 66 66 GLU CA C 66 55.285 54.354 0.931 1
1 702 . 5 1 1 A 66 66 GLU CB C 66 31.666 32.940 -1.274 1
1 704 . 5 1 1 A 66 66 GLU N N 66 117.719 119.307 -1.588 1
1 705 . 5 1 1 A 67 67 ALA H H 67 8.766 8.469 0.297 1
1 706 . 5 1 1 A 67 67 ALA HA H 67 4.177 4.548 -0.371 1
1 710 . 5 1 1 A 67 67 ALA C C 67 177.459 176.997 0.462 1
1 711 . 5 1 1 A 67 67 ALA CA C 67 53.019 53.095 -0.076 1
1 712 . 5 1 1 A 67 67 ALA CB C 67 18.548 19.157 -0.609 1
1 713 . 5 1 1 A 67 67 ALA N N 67 120.597 124.591 -3.994 1
1 714 . 5 1 1 A 68 68 TYR H H 68 8.061 8.816 -0.755 1
1 715 . 5 1 1 A 68 68 TYR HA H 68 4.531 4.477 0.054 1
1 722 . 5 1 1 A 68 68 TYR CA C 68 58.242 58.663 -0.421 1
1 723 . 5 1 1 A 68 68 TYR CB C 68 38.531 38.695 -0.164 1
1 728 . 5 1 1 A 68 68 TYR N N 68 120.592 123.773 -3.181 1
1 729 . 5 1 1 A 69 69 HIS HA H 69 4.643 5.277 -0.634 1
1 734 . 5 1 1 A 69 69 HIS C C 69 173.158 175.179 -2.021 1
1 735 . 5 1 1 A 69 69 HIS CA C 69 51.310 54.012 -2.702 1
1 736 . 5 1 1 A 69 69 HIS CB C 69 32.038 31.602 0.436 1
1 739 . 5 1 1 A 70 70 GLU H H 70 8.796 8.870 -0.074 1
1 740 . 5 1 1 A 70 70 GLU HA H 70 4.238 3.925 0.313 1
1 745 . 5 1 1 A 70 70 GLU C C 70 178.838 177.194 1.644 1
1 746 . 5 1 1 A 70 70 GLU CA C 70 55.450 58.164 -2.714 1
1 747 . 5 1 1 A 70 70 GLU CB C 70 30.527 28.884 1.643 1
1 749 . 5 1 1 A 70 70 GLU N N 70 120.194 121.518 -1.324 1
1 750 . 5 1 1 A 71 71 GLY H H 71 8.876 8.404 0.472 1
1 751 . 5 1 1 A 71 71 GLY HA2 H 71 4.082 4.102 -0.020 1
1 752 . 5 1 1 A 71 71 GLY HA3 H 71 3.910 4.133 -0.223 1
1 753 . 5 1 1 A 71 71 GLY C C 71 173.634 171.693 1.941 1
1 754 . 5 1 1 A 71 71 GLY CA C 71 45.615 45.378 0.237 1
1 755 . 5 1 1 A 71 71 GLY N N 71 111.118 112.191 -1.073 1
1 756 . 5 1 1 A 72 72 GLU H H 72 8.391 8.030 0.361 1
1 757 . 5 1 1 A 72 72 GLU HA H 72 4.360 4.547 -0.187 1
1 762 . 5 1 1 A 72 72 GLU C C 72 177.319 175.450 1.869 1
1 763 . 5 1 1 A 72 72 GLU CA C 72 56.571 55.698 0.873 1
1 764 . 5 1 1 A 72 72 GLU CB C 72 30.411 33.219 -2.808 1
1 766 . 5 1 1 A 72 72 GLU N N 72 118.939 121.244 -2.305 1
1 767 . 5 1 1 A 73 73 CYS H H 73 8.574 8.738 -0.164 1
1 768 . 5 1 1 A 73 73 CYS HA H 73 3.770 4.191 -0.421 1
1 771 . 5 1 1 A 73 73 CYS C C 73 176.052 177.077 -1.025 1
1 772 . 5 1 1 A 73 73 CYS CA C 73 60.416 62.411 -1.995 1
1 773 . 5 1 1 A 73 73 CYS CB C 73 30.793 26.965 3.828 1
1 774 . 5 1 1 A 73 73 CYS N N 73 123.479 122.482 0.997 1
1 775 . 5 1 1 A 74 74 SER H H 74 8.541 7.968 0.573 1
1 776 . 5 1 1 A 74 74 SER HA H 74 4.288 4.335 -0.047 1
1 779 . 5 1 1 A 74 74 SER C C 74 174.140 175.449 -1.309 1
1 780 . 5 1 1 A 74 74 SER CA C 74 58.591 61.657 -3.066 1
1 781 . 5 1 1 A 74 74 SER CB C 74 63.626 63.553 0.073 1
1 782 . 5 1 1 A 74 74 SER N N 74 117.297 115.630 1.667 1
1 783 . 5 1 1 A 75 75 ALA H H 75 8.092 7.523 0.569 1
1 784 . 5 1 1 A 75 75 ALA HA H 75 4.312 4.203 0.109 1
1 788 . 5 1 1 A 75 75 ALA C C 75 177.173 176.958 0.215 1
1 789 . 5 1 1 A 75 75 ALA CA C 75 52.403 52.255 0.148 1
1 790 . 5 1 1 A 75 75 ALA CB C 75 19.546 19.015 0.531 1
1 791 . 5 1 1 A 75 75 ALA N N 75 125.952 122.711 3.241 1
1 792 . 5 1 1 A 76 76 VAL H H 76 7.934 8.762 -0.828 1
1 793 . 5 1 1 A 76 76 VAL HA H 76 4.028 4.691 -0.663 1
1 801 . 5 1 1 A 76 76 VAL C C 76 175.784 174.466 1.318 1
1 802 . 5 1 1 A 76 76 VAL CA C 76 62.265 60.980 1.285 1
1 803 . 5 1 1 A 76 76 VAL CB C 76 32.893 34.293 -1.400 1
1 806 . 5 1 1 A 76 76 VAL N N 76 118.959 123.548 -4.589 1
1 807 . 5 1 1 A 77 77 PHE H H 77 8.283 8.982 -0.699 1
1 808 . 5 1 1 A 77 77 PHE HA H 77 4.670 4.824 -0.154 1
1 813 . 5 1 1 A 77 77 PHE C C 77 175.335 174.746 0.589 1
1 814 . 5 1 1 A 77 77 PHE CA C 77 57.588 56.983 0.605 1
1 815 . 5 1 1 A 77 77 PHE CB C 77 39.899 40.377 -0.478 1
1 818 . 5 1 1 A 77 77 PHE N N 77 124.298 128.137 -3.839 1
1 819 . 5 1 1 A 78 78 GLU H H 78 8.262 7.902 0.360 1
1 820 . 5 1 1 A 78 78 GLU HA H 78 4.251 4.858 -0.607 1
1 825 . 5 1 1 A 78 78 GLU C C 78 175.451 176.715 -1.264 1
1 826 . 5 1 1 A 78 78 GLU CA C 78 56.179 55.143 1.036 1
1 827 . 5 1 1 A 78 78 GLU CB C 78 30.676 31.329 -0.653 1
1 829 . 5 1 1 A 78 78 GLU N N 78 123.482 125.233 -1.751 1
1 830 . 5 1 1 A 79 79 ALA H H 79 8.279 8.938 -0.659 1
1 831 . 5 1 1 A 79 79 ALA HA H 79 4.341 4.285 0.056 1
1 835 . 5 1 1 A 79 79 ALA C C 79 176.767 179.748 -2.981 1
1 836 . 5 1 1 A 79 79 ALA CA C 79 52.512 55.925 -3.413 1
1 837 . 5 1 1 A 79 79 ALA CB C 79 19.493 18.415 1.078 1
1 838 . 5 1 1 A 79 79 ALA N N 79 126.363 126.447 -0.084 1
1 6 . 6 1 1 A 2 2 HIS H H 2 7.929 7.823 0.106 1
1 9 . 6 1 1 A 2 2 HIS CB C 2 31.017 29.814 1.203 1
1 12 . 6 1 1 A 2 2 HIS N N 2 118.946 119.165 -0.219 1
1 13 . 6 1 1 A 3 3 MET HA H 3 4.537 3.988 0.549 1
1 16 . 6 1 1 A 3 3 MET C C 3 176.240 177.966 -1.726 1
1 17 . 6 1 1 A 3 3 MET CA C 3 55.681 59.025 -3.344 1
1 18 . 6 1 1 A 3 3 MET CB C 3 33.063 32.751 0.312 1
1 20 . 6 1 1 A 4 4 GLY H H 4 8.155 8.202 -0.047 1
1 21 . 6 1 1 A 4 4 GLY HA2 H 4 4.031 3.831 0.200 1
1 22 . 6 1 1 A 4 4 GLY HA3 H 4 4.031 3.856 0.175 1
1 23 . 6 1 1 A 4 4 GLY C C 4 174.348 173.524 0.824 1
1 24 . 6 1 1 A 4 4 GLY CA C 4 45.418 45.980 -0.562 1
1 25 . 6 1 1 A 4 4 GLY N N 4 108.673 106.430 2.243 1
1 26 . 6 1 1 A 5 5 GLU H H 5 8.351 8.860 -0.509 1
1 27 . 6 1 1 A 5 5 GLU HA H 5 4.275 4.899 -0.624 1
1 32 . 6 1 1 A 5 5 GLU C C 5 177.037 174.694 2.343 1
1 33 . 6 1 1 A 5 5 GLU CA C 5 57.098 54.395 2.703 1
1 34 . 6 1 1 A 5 5 GLU CB C 5 30.282 33.478 -3.196 1
1 36 . 6 1 1 A 5 5 GLU N N 5 120.605 124.372 -3.767 1
1 37 . 6 1 1 A 6 6 GLU H H 6 8.641 8.688 -0.047 1
1 38 . 6 1 1 A 6 6 GLU HA H 6 4.248 4.299 -0.051 1
1 43 . 6 1 1 A 6 6 GLU C C 6 176.799 178.128 -1.329 1
1 44 . 6 1 1 A 6 6 GLU CA C 6 57.344 56.938 0.406 1
1 45 . 6 1 1 A 6 6 GLU CB C 6 29.842 30.388 -0.546 1
1 47 . 6 1 1 A 6 6 GLU N N 6 121.425 122.807 -1.382 1
1 48 . 6 1 1 A 7 7 GLN H H 7 8.304 8.728 -0.424 1
1 53 . 6 1 1 A 7 7 GLN C C 7 175.537 176.740 -1.203 1
1 54 . 6 1 1 A 7 7 GLN CA C 7 56.292 58.955 -2.663 1
1 55 . 6 1 1 A 7 7 GLN CB C 7 29.164 28.885 0.279 1
1 57 . 6 1 1 A 7 7 GLN N N 7 120.185 122.140 -1.955 1
1 59 . 6 1 1 A 8 8 TYR H H 8 8.221 7.977 0.244 1
1 60 . 6 1 1 A 8 8 TYR HA H 8 4.606 4.575 0.031 1
1 67 . 6 1 1 A 8 8 TYR C C 8 175.728 175.089 0.639 1
1 68 . 6 1 1 A 8 8 TYR CA C 8 58.138 58.548 -0.410 1
1 69 . 6 1 1 A 8 8 TYR CB C 8 38.766 38.919 -0.153 1
1 70 . 6 1 1 A 8 8 TYR N N 8 120.918 118.677 2.241 1
1 71 . 6 1 1 A 9 9 ASN H H 9 8.288 8.916 -0.628 1
1 72 . 6 1 1 A 9 9 ASN HA H 9 4.654 5.475 -0.821 1
1 77 . 6 1 1 A 9 9 ASN C C 9 175.439 173.679 1.760 1
1 78 . 6 1 1 A 9 9 ASN CA C 9 53.435 51.230 2.205 1
1 79 . 6 1 1 A 9 9 ASN CB C 9 38.790 40.573 -1.783 1
1 80 . 6 1 1 A 9 9 ASN N N 9 120.180 117.797 2.383 1
1 82 . 6 1 1 A 10 10 ARG H H 10 8.128 8.700 -0.572 1
1 83 . 6 1 1 A 10 10 ARG HA H 10 4.171 4.480 -0.309 1
1 90 . 6 1 1 A 10 10 ARG C C 10 176.244 175.032 1.212 1
1 91 . 6 1 1 A 10 10 ARG CA C 10 57.023 55.865 1.158 1
1 92 . 6 1 1 A 10 10 ARG CB C 10 30.535 31.237 -0.702 1
1 95 . 6 1 1 A 10 10 ARG N N 10 121.014 124.328 -3.314 1
1 96 . 6 1 1 A 11 11 TYR H H 11 8.108 8.526 -0.418 1
1 97 . 6 1 1 A 11 11 TYR HA H 11 4.543 4.891 -0.348 1
1 104 . 6 1 1 A 11 11 TYR C C 11 175.929 176.289 -0.360 1
1 105 . 6 1 1 A 11 11 TYR CA C 11 58.219 56.364 1.855 1
1 106 . 6 1 1 A 11 11 TYR CB C 11 38.365 42.150 -3.785 1
1 107 . 6 1 1 A 11 11 TYR N N 11 119.776 121.576 -1.800 1
1 108 . 6 1 1 A 12 12 GLN H H 12 8.050 9.345 -1.295 1
1 109 . 6 1 1 A 12 12 GLN HA H 12 4.269 4.024 0.245 1
1 116 . 6 1 1 A 12 12 GLN C C 12 175.917 176.237 -0.320 1
1 117 . 6 1 1 A 12 12 GLN CA C 12 56.240 59.697 -3.457 1
1 118 . 6 1 1 A 12 12 GLN CB C 12 29.463 28.472 0.991 1
1 120 . 6 1 1 A 12 12 GLN N N 12 120.992 124.196 -3.204 1
1 122 . 6 1 1 A 13 13 GLN H H 13 8.065 7.913 0.152 1
1 123 . 6 1 1 A 13 13 GLN HA H 13 4.202 4.082 0.120 1
1 130 . 6 1 1 A 13 13 GLN C C 13 175.644 175.609 0.035 1
1 131 . 6 1 1 A 13 13 GLN CA C 13 56.242 57.174 -0.932 1
1 132 . 6 1 1 A 13 13 GLN CB C 13 29.394 26.440 2.954 1
1 134 . 6 1 1 A 13 13 GLN N N 13 120.539 116.419 4.120 1
1 136 . 6 1 1 A 14 14 TYR H H 14 8.212 8.177 0.035 1
1 137 . 6 1 1 A 14 14 TYR HA H 14 4.572 4.298 0.274 1
1 144 . 6 1 1 A 14 14 TYR C C 14 176.382 175.918 0.464 1
1 145 . 6 1 1 A 14 14 TYR CA C 14 57.958 61.734 -3.776 1
1 146 . 6 1 1 A 14 14 TYR CB C 14 38.983 39.132 -0.149 1
1 151 . 6 1 1 A 14 14 TYR N N 14 120.582 119.917 0.665 1
1 152 . 6 1 1 A 15 15 GLY H H 15 8.405 7.703 0.702 1
1 153 . 6 1 1 A 15 15 GLY HA2 H 15 3.933 4.132 -0.199 1
1 154 . 6 1 1 A 15 15 GLY HA3 H 15 3.933 4.169 -0.236 1
1 155 . 6 1 1 A 15 15 GLY C C 15 173.776 172.581 1.195 1
1 156 . 6 1 1 A 15 15 GLY CA C 15 45.407 45.663 -0.256 1
1 157 . 6 1 1 A 15 15 GLY N N 15 110.724 105.274 5.450 1
1 158 . 6 1 1 A 16 16 ALA H H 16 8.160 8.350 -0.190 1
1 159 . 6 1 1 A 16 16 ALA HA H 16 4.302 5.056 -0.754 1
1 163 . 6 1 1 A 16 16 ALA C C 16 178.147 176.018 2.129 1
1 164 . 6 1 1 A 16 16 ALA CA C 16 53.034 51.222 1.812 1
1 165 . 6 1 1 A 16 16 ALA CB C 16 19.392 22.918 -3.526 1
1 166 . 6 1 1 A 16 16 ALA N N 16 123.489 124.332 -0.843 1
1 167 . 6 1 1 A 17 17 GLU H H 17 8.612 8.519 0.093 1
1 168 . 6 1 1 A 17 17 GLU HA H 17 4.169 4.450 -0.281 1
1 173 . 6 1 1 A 17 17 GLU C C 17 177.000 175.955 1.045 1
1 174 . 6 1 1 A 17 17 GLU CA C 17 57.837 56.378 1.459 1
1 175 . 6 1 1 A 17 17 GLU CB C 17 29.881 30.705 -0.824 1
1 177 . 6 1 1 A 17 17 GLU N N 17 119.373 118.423 0.950 1
1 178 . 6 1 1 A 18 18 GLU H H 18 8.413 8.671 -0.258 1
1 179 . 6 1 1 A 18 18 GLU HA H 18 4.210 4.865 -0.655 1
1 184 . 6 1 1 A 18 18 GLU C C 18 177.015 175.508 1.507 1
1 185 . 6 1 1 A 18 18 GLU CA C 18 57.641 55.338 2.303 1
1 186 . 6 1 1 A 18 18 GLU CB C 18 29.980 31.605 -1.625 1
1 188 . 6 1 1 A 18 18 GLU N N 18 120.184 119.633 0.551 1
1 189 . 6 1 1 A 19 19 CYS H H 19 8.253 8.899 -0.646 1
1 190 . 6 1 1 A 19 19 CYS HA H 19 4.381 4.916 -0.535 1
1 193 . 6 1 1 A 19 19 CYS C C 19 175.552 175.443 0.109 1
1 194 . 6 1 1 A 19 19 CYS CA C 19 59.819 57.377 2.442 1
1 195 . 6 1 1 A 19 19 CYS CB C 19 27.554 29.293 -1.739 1
1 196 . 6 1 1 A 19 19 CYS N N 19 119.775 123.252 -3.477 1
1 197 . 6 1 1 A 20 20 VAL H H 20 8.051 8.821 -0.770 1
1 198 . 6 1 1 A 20 20 VAL HA H 20 3.939 3.815 0.124 1
1 206 . 6 1 1 A 20 20 VAL C C 20 173.904 175.565 -1.661 1
1 207 . 6 1 1 A 20 20 VAL CA C 20 64.113 63.209 0.904 1
1 208 . 6 1 1 A 20 20 VAL CB C 20 32.316 29.587 2.729 1
1 211 . 6 1 1 A 20 20 VAL N N 20 121.008 124.497 -3.489 1
1 212 . 6 1 1 A 21 21 LEU H H 21 8.190 8.054 0.136 1
1 213 . 6 1 1 A 21 21 LEU HA H 21 4.648 4.312 0.336 1
1 222 . 6 1 1 A 21 21 LEU CA C 21 54.565 55.845 -1.280 1
1 223 . 6 1 1 A 21 21 LEU CB C 21 41.542 42.995 -1.453 1
1 225 . 6 1 1 A 21 21 LEU N N 21 123.470 120.370 3.100 1
1 226 . 6 1 1 A 22 22 GLN H H 22 8.322 7.472 0.850 1
1 227 . 6 1 1 A 22 22 GLN HA H 22 4.046 4.260 -0.214 1
1 230 . 6 1 1 A 22 22 GLN C C 22 176.428 177.366 -0.938 1
1 231 . 6 1 1 A 22 22 GLN CA C 22 56.800 56.410 0.390 1
1 232 . 6 1 1 A 22 22 GLN CB C 22 29.116 29.739 -0.623 1
1 234 . 6 1 1 A 22 22 GLN N N 22 120.999 118.256 2.743 1
1 236 . 6 1 1 A 23 23 MET H H 23 7.958 8.968 -1.010 1
1 237 . 6 1 1 A 23 23 MET HA H 23 4.487 4.184 0.303 1
1 245 . 6 1 1 A 23 23 MET C C 23 176.558 178.474 -1.916 1
1 246 . 6 1 1 A 23 23 MET CA C 23 55.842 58.084 -2.242 1
1 247 . 6 1 1 A 23 23 MET CB C 23 32.712 32.146 0.566 1
1 250 . 6 1 1 A 23 23 MET N N 23 118.950 125.437 -6.487 1
1 251 . 6 1 1 A 24 24 GLY H H 24 8.549 8.290 0.259 1
1 252 . 6 1 1 A 24 24 GLY HA2 H 24 4.163 3.795 0.368 1
1 253 . 6 1 1 A 24 24 GLY HA3 H 24 3.919 3.797 0.122 1
1 254 . 6 1 1 A 24 24 GLY C C 24 174.799 175.314 -0.515 1
1 255 . 6 1 1 A 24 24 GLY CA C 24 45.547 47.309 -1.762 1
1 256 . 6 1 1 A 24 24 GLY N N 24 110.724 108.873 1.851 1
1 257 . 6 1 1 A 25 25 GLY H H 25 8.216 7.668 0.548 1
1 258 . 6 1 1 A 25 25 GLY HA2 H 25 4.455 3.978 0.477 1
1 259 . 6 1 1 A 25 25 GLY HA3 H 25 3.921 3.985 -0.064 1
1 260 . 6 1 1 A 25 25 GLY C C 25 172.658 173.124 -0.466 1
1 261 . 6 1 1 A 25 25 GLY CA C 25 45.087 46.786 -1.699 1
1 262 . 6 1 1 A 25 25 GLY N N 25 107.443 108.068 -0.625 1
1 263 . 6 1 1 A 26 26 VAL H H 26 8.726 8.364 0.362 1
1 264 . 6 1 1 A 26 26 VAL HA H 26 4.533 4.823 -0.290 1
1 272 . 6 1 1 A 26 26 VAL C C 26 172.923 175.212 -2.289 1
1 273 . 6 1 1 A 26 26 VAL CA C 26 59.864 61.890 -2.026 1
1 274 . 6 1 1 A 26 26 VAL CB C 26 35.551 33.337 2.214 1
1 277 . 6 1 1 A 26 26 VAL N N 26 116.467 125.259 -8.792 1
1 278 . 6 1 1 A 27 27 LEU H H 27 8.201 8.658 -0.457 1
1 279 . 6 1 1 A 27 27 LEU HA H 27 5.057 4.918 0.139 1
1 289 . 6 1 1 A 27 27 LEU C C 27 176.746 175.171 1.575 1
1 290 . 6 1 1 A 27 27 LEU CA C 27 53.134 53.731 -0.597 1
1 291 . 6 1 1 A 27 27 LEU CB C 27 42.926 45.452 -2.526 1
1 294 . 6 1 1 A 27 27 LEU N N 27 124.428 121.749 2.679 1
1 295 . 6 1 1 A 28 28 CYS H H 28 8.902 8.350 0.552 1
1 296 . 6 1 1 A 28 28 CYS HA H 28 4.158 4.291 -0.133 1
1 299 . 6 1 1 A 28 28 CYS CA C 28 57.728 57.992 -0.264 1
1 300 . 6 1 1 A 28 28 CYS CB C 28 32.175 27.561 4.614 1
1 301 . 6 1 1 A 28 28 CYS N N 28 127.173 120.253 6.920 1
1 302 . 6 1 1 A 29 29 PRO HA H 29 4.410 4.371 0.039 1
1 309 . 6 1 1 A 29 29 PRO C C 29 177.459 176.335 1.124 1
1 310 . 6 1 1 A 29 29 PRO CA C 29 62.872 64.709 -1.837 1
1 311 . 6 1 1 A 29 29 PRO CB C 29 32.813 31.990 0.823 1
1 314 . 6 1 1 A 30 30 ARG H H 30 9.132 7.649 1.483 1
1 315 . 6 1 1 A 30 30 ARG HA H 30 4.087 4.418 -0.331 1
1 322 . 6 1 1 A 30 30 ARG CA C 30 55.102 54.657 0.445 1
1 323 . 6 1 1 A 30 30 ARG CB C 30 29.469 29.924 -0.455 1
1 326 . 6 1 1 A 30 30 ARG N N 30 127.589 119.250 8.339 1
1 327 . 6 1 1 A 31 31 PRO HA H 31 4.242 4.262 -0.020 1
1 334 . 6 1 1 A 31 31 PRO C C 31 177.828 179.158 -1.330 1
1 335 . 6 1 1 A 31 31 PRO CA C 31 64.202 65.394 -1.192 1
1 336 . 6 1 1 A 31 31 PRO CB C 31 31.518 31.724 -0.206 1
1 339 . 6 1 1 A 32 32 GLY H H 32 8.773 8.590 0.183 1
1 340 . 6 1 1 A 32 32 GLY HA2 H 32 4.065 3.818 0.247 1
1 341 . 6 1 1 A 32 32 GLY HA3 H 32 3.706 3.821 -0.115 1
1 342 . 6 1 1 A 32 32 GLY C C 32 173.340 175.769 -2.429 1
1 343 . 6 1 1 A 32 32 GLY CA C 32 45.272 46.898 -1.626 1
1 344 . 6 1 1 A 32 32 GLY N N 32 111.942 106.135 5.807 1
1 345 . 6 1 1 A 33 33 CYS H H 33 7.749 7.640 0.109 1
1 346 . 6 1 1 A 33 33 CYS HA H 33 4.528 4.202 0.326 1
1 349 . 6 1 1 A 33 33 CYS CA C 33 60.515 62.125 -1.610 1
1 350 . 6 1 1 A 33 33 CYS CB C 33 29.641 27.528 2.113 1
1 351 . 6 1 1 A 33 33 CYS N N 33 123.343 120.581 2.762 1
1 352 . 6 1 1 A 34 34 GLY H H 34 8.351 8.173 0.178 1
1 353 . 6 1 1 A 34 34 GLY HA2 H 34 4.120 3.870 0.250 1
1 354 . 6 1 1 A 34 34 GLY HA3 H 34 3.911 3.882 0.029 1
1 355 . 6 1 1 A 34 34 GLY C C 34 173.849 174.509 -0.660 1
1 356 . 6 1 1 A 34 34 GLY CA C 34 46.225 47.035 -0.810 1
1 357 . 6 1 1 A 34 34 GLY N N 34 106.570 108.148 -1.578 1
1 358 . 6 1 1 A 35 35 ALA H H 35 8.591 7.854 0.737 1
1 359 . 6 1 1 A 35 35 ALA HA H 35 4.091 4.599 -0.508 1
1 363 . 6 1 1 A 35 35 ALA C C 35 176.818 177.409 -0.591 1
1 364 . 6 1 1 A 35 35 ALA CA C 35 53.757 51.029 2.728 1
1 365 . 6 1 1 A 35 35 ALA CB C 35 20.271 21.166 -0.895 1
1 366 . 6 1 1 A 35 35 ALA N N 35 125.109 121.673 3.436 1
1 367 . 6 1 1 A 36 36 GLY H H 36 8.348 8.455 -0.107 1
1 368 . 6 1 1 A 36 36 GLY HA2 H 36 4.412 4.205 0.207 1
1 369 . 6 1 1 A 36 36 GLY HA3 H 36 3.479 4.212 -0.733 1
1 370 . 6 1 1 A 36 36 GLY C C 36 177.324 174.643 2.681 1
1 371 . 6 1 1 A 36 36 GLY CA C 36 45.847 45.731 0.116 1
1 372 . 6 1 1 A 36 36 GLY N N 36 106.607 109.392 -2.785 1
1 373 . 6 1 1 A 37 37 LEU H H 37 8.190 7.621 0.569 1
1 374 . 6 1 1 A 37 37 LEU HA H 37 4.753 4.393 0.360 1
1 384 . 6 1 1 A 37 37 LEU C C 37 177.064 176.183 0.881 1
1 385 . 6 1 1 A 37 37 LEU CB C 37 44.730 42.321 2.409 1
1 389 . 6 1 1 A 37 37 LEU N N 37 123.541 119.518 4.023 1
1 390 . 6 1 1 A 38 38 LEU H H 38 8.210 8.276 -0.066 1
1 391 . 6 1 1 A 38 38 LEU HA H 38 4.981 4.404 0.577 1
1 401 . 6 1 1 A 38 38 LEU CA C 38 51.755 53.333 -1.578 1
1 402 . 6 1 1 A 38 38 LEU CB C 38 42.309 42.679 -0.370 1
1 405 . 6 1 1 A 38 38 LEU N N 38 124.280 125.876 -1.596 1
1 406 . 6 1 1 A 39 39 PRO HA H 39 4.600 4.431 0.169 1
1 413 . 6 1 1 A 39 39 PRO C C 39 176.647 176.916 -0.269 1
1 414 . 6 1 1 A 39 39 PRO CA C 39 62.130 62.474 -0.344 1
1 415 . 6 1 1 A 39 39 PRO CB C 39 32.686 31.906 0.780 1
1 418 . 6 1 1 A 40 40 GLU H H 40 8.631 8.577 0.054 1
1 419 . 6 1 1 A 40 40 GLU HA H 40 4.485 4.362 0.123 1
1 424 . 6 1 1 A 40 40 GLU CA C 40 55.067 55.270 -0.203 1
1 425 . 6 1 1 A 40 40 GLU CB C 40 29.310 29.592 -0.282 1
1 426 . 6 1 1 A 40 40 GLU N N 40 122.240 121.158 1.082 1
1 427 . 6 1 1 A 41 41 PRO HA H 41 3.869 4.428 -0.559 1
1 434 . 6 1 1 A 41 41 PRO C C 41 176.908 176.076 0.832 1
1 435 . 6 1 1 A 41 41 PRO CA C 41 64.772 63.966 0.806 1
1 436 . 6 1 1 A 41 41 PRO CB C 41 32.172 31.325 0.847 1
1 439 . 6 1 1 A 42 42 ASP H H 42 8.486 7.885 0.601 1
1 440 . 6 1 1 A 42 42 ASP HA H 42 4.456 4.864 -0.408 1
1 443 . 6 1 1 A 42 42 ASP C C 42 175.265 176.273 -1.008 1
1 444 . 6 1 1 A 42 42 ASP CA C 42 54.480 53.300 1.180 1
1 445 . 6 1 1 A 42 42 ASP CB C 42 40.139 42.696 -2.557 1
1 446 . 6 1 1 A 42 42 ASP N N 42 114.895 120.399 -5.504 1
1 447 . 6 1 1 A 43 43 GLN H H 43 7.280 9.016 -1.736 1
1 448 . 6 1 1 A 43 43 GLN HA H 43 4.420 4.060 0.360 1
1 455 . 6 1 1 A 43 43 GLN CA C 43 54.877 57.923 -3.046 1
1 456 . 6 1 1 A 43 43 GLN CB C 43 30.219 28.065 2.154 1
1 458 . 6 1 1 A 43 43 GLN N N 43 118.523 124.287 -5.764 1
1 460 . 6 1 1 A 44 44 ARG H H 44 8.207 7.669 0.538 1
1 461 . 6 1 1 A 44 44 ARG HA H 44 4.206 4.171 0.035 1
1 468 . 6 1 1 A 44 44 ARG C C 44 175.581 176.735 -1.154 1
1 469 . 6 1 1 A 44 44 ARG CA C 44 58.285 58.965 -0.680 1
1 470 . 6 1 1 A 44 44 ARG CB C 44 32.175 30.003 2.172 1
1 473 . 6 1 1 A 44 44 ARG N N 44 120.127 120.019 0.108 1
1 474 . 6 1 1 A 45 45 LYS H H 45 7.909 7.758 0.151 1
1 475 . 6 1 1 A 45 45 LYS HA H 45 3.985 4.705 -0.720 1
1 484 . 6 1 1 A 45 45 LYS C C 45 174.753 173.998 0.755 1
1 485 . 6 1 1 A 45 45 LYS CA C 45 56.378 55.673 0.705 1
1 486 . 6 1 1 A 45 45 LYS CB C 45 32.190 35.028 -2.838 1
1 490 . 6 1 1 A 45 45 LYS N N 45 118.935 119.218 -0.283 1
1 491 . 6 1 1 A 46 46 VAL H H 46 8.574 9.036 -0.462 1
1 492 . 6 1 1 A 46 46 VAL HA H 46 3.870 4.516 -0.646 1
1 500 . 6 1 1 A 46 46 VAL C C 46 173.589 174.583 -0.994 1
1 501 . 6 1 1 A 46 46 VAL CA C 46 60.777 60.990 -0.213 1
1 502 . 6 1 1 A 46 46 VAL CB C 46 32.263 32.679 -0.416 1
1 505 . 6 1 1 A 46 46 VAL N N 46 130.468 126.664 3.804 1
1 506 . 6 1 1 A 47 47 THR H H 47 8.098 8.864 -0.766 1
1 507 . 6 1 1 A 47 47 THR HA H 47 4.864 4.326 0.538 1
1 512 . 6 1 1 A 47 47 THR C C 47 173.666 175.186 -1.520 1
1 513 . 6 1 1 A 47 47 THR CA C 47 61.070 62.644 -1.574 1
1 514 . 6 1 1 A 47 47 THR CB C 47 69.693 69.001 0.692 1
1 516 . 6 1 1 A 47 47 THR N N 47 120.392 122.656 -2.264 1
1 517 . 6 1 1 A 48 48 CYS H H 48 8.928 9.253 -0.325 1
1 518 . 6 1 1 A 48 48 CYS HA H 48 4.581 4.454 0.127 1
1 521 . 6 1 1 A 48 48 CYS C C 48 174.212 177.038 -2.826 1
1 522 . 6 1 1 A 48 48 CYS CA C 48 59.848 61.849 -2.001 1
1 523 . 6 1 1 A 48 48 CYS CB C 48 29.425 27.311 2.114 1
1 524 . 6 1 1 A 48 48 CYS N N 48 130.472 125.920 4.552 1
1 525 . 6 1 1 A 49 49 GLU H H 49 7.552 7.963 -0.411 1
1 526 . 6 1 1 A 49 49 GLU HA H 49 4.647 4.425 0.222 1
1 531 . 6 1 1 A 49 49 GLU C C 49 175.297 177.602 -2.305 1
1 532 . 6 1 1 A 49 49 GLU CA C 49 55.852 59.489 -3.637 1
1 533 . 6 1 1 A 49 49 GLU CB C 49 31.404 29.621 1.783 1
1 535 . 6 1 1 A 49 49 GLU N N 49 128.705 120.120 8.585 1
1 536 . 6 1 1 A 50 50 GLY H H 50 8.459 7.992 0.467 1
1 537 . 6 1 1 A 50 50 GLY HA2 H 50 4.128 3.838 0.290 1
1 538 . 6 1 1 A 50 50 GLY HA3 H 50 3.916 3.852 0.064 1
1 539 . 6 1 1 A 50 50 GLY C C 50 174.247 174.873 -0.626 1
1 540 . 6 1 1 A 50 50 GLY CA C 50 45.243 47.136 -1.893 1
1 541 . 6 1 1 A 50 50 GLY N N 50 109.953 107.915 2.038 1
1 542 . 6 1 1 A 51 51 GLY H H 51 8.548 8.700 -0.152 1
1 543 . 6 1 1 A 51 51 GLY HA2 H 51 3.991 4.196 -0.205 1
1 544 . 6 1 1 A 51 51 GLY HA3 H 51 3.991 4.198 -0.207 1
1 545 . 6 1 1 A 51 51 GLY C C 51 174.381 175.290 -0.909 1
1 546 . 6 1 1 A 51 51 GLY CA C 51 45.714 45.561 0.153 1
1 547 . 6 1 1 A 51 51 GLY N N 51 109.074 112.913 -3.839 1
1 548 . 6 1 1 A 52 52 ASN H H 52 8.740 7.645 1.095 1
1 549 . 6 1 1 A 52 52 ASN HA H 52 4.566 4.690 -0.124 1
1 554 . 6 1 1 A 52 52 ASN C C 52 175.686 175.388 0.298 1
1 555 . 6 1 1 A 52 52 ASN CA C 52 53.618 54.404 -0.786 1
1 556 . 6 1 1 A 52 52 ASN CB C 52 38.009 39.853 -1.844 1
1 557 . 6 1 1 A 52 52 ASN N N 52 118.415 117.337 1.078 1
1 559 . 6 1 1 A 53 53 GLY H H 53 8.367 7.660 0.707 1
1 560 . 6 1 1 A 53 53 GLY HA2 H 53 4.101 4.044 0.057 1
1 561 . 6 1 1 A 53 53 GLY HA3 H 53 3.808 4.044 -0.236 1
1 562 . 6 1 1 A 53 53 GLY C C 53 174.323 174.644 -0.321 1
1 563 . 6 1 1 A 53 53 GLY CA C 53 45.675 45.452 0.223 1
1 564 . 6 1 1 A 53 53 GLY N N 53 107.419 106.031 1.388 1
1 565 . 6 1 1 A 54 54 LEU H H 54 7.703 7.956 -0.253 1
1 566 . 6 1 1 A 54 54 LEU HA H 54 4.405 4.667 -0.262 1
1 576 . 6 1 1 A 54 54 LEU C C 54 177.359 176.206 1.153 1
1 577 . 6 1 1 A 54 54 LEU CA C 54 55.162 54.254 0.908 1
1 578 . 6 1 1 A 54 54 LEU CB C 54 42.742 42.901 -0.159 1
1 582 . 6 1 1 A 54 54 LEU N N 54 121.020 122.025 -1.005 1
1 583 . 6 1 1 A 55 55 GLY H H 55 8.265 8.466 -0.201 1
1 584 . 6 1 1 A 55 55 GLY HA2 H 55 4.112 4.204 -0.092 1
1 585 . 6 1 1 A 55 55 GLY HA3 H 55 4.112 4.218 -0.106 1
1 586 . 6 1 1 A 55 55 GLY C C 55 174.453 174.544 -0.091 1
1 587 . 6 1 1 A 55 55 GLY CA C 55 45.438 45.794 -0.356 1
1 588 . 6 1 1 A 55 55 GLY N N 55 109.910 109.648 0.262 1
1 589 . 6 1 1 A 56 56 CYS H H 56 10.071 8.788 1.283 1
1 590 . 6 1 1 A 56 56 CYS HA H 56 4.928 4.315 0.613 1
1 593 . 6 1 1 A 56 56 CYS C C 56 177.993 175.166 2.827 1
1 594 . 6 1 1 A 56 56 CYS CA C 56 59.541 60.726 -1.185 1
1 595 . 6 1 1 A 56 56 CYS CB C 56 32.099 28.069 4.030 1
1 596 . 6 1 1 A 56 56 CYS N N 56 124.504 122.038 2.466 1
1 597 . 6 1 1 A 57 57 GLY H H 57 9.174 8.316 0.858 1
1 598 . 6 1 1 A 57 57 GLY HA2 H 57 4.313 3.971 0.342 1
1 599 . 6 1 1 A 57 57 GLY HA3 H 57 3.668 3.986 -0.318 1
1 600 . 6 1 1 A 57 57 GLY C C 57 173.686 173.613 0.073 1
1 601 . 6 1 1 A 57 57 GLY CA C 57 45.860 45.281 0.579 1
1 602 . 6 1 1 A 57 57 GLY N N 57 114.428 108.545 5.883 1
1 603 . 6 1 1 A 58 58 PHE H H 58 9.036 7.839 1.197 1
1 604 . 6 1 1 A 58 58 PHE HA H 58 4.623 4.814 -0.191 1
1 611 . 6 1 1 A 58 58 PHE C C 58 173.896 174.752 -0.856 1
1 612 . 6 1 1 A 58 58 PHE CA C 58 58.969 55.733 3.236 1
1 613 . 6 1 1 A 58 58 PHE CB C 58 41.132 41.131 0.001 1
1 614 . 6 1 1 A 58 58 PHE N N 58 125.130 120.952 4.178 1
1 615 . 6 1 1 A 59 59 ALA H H 59 7.570 8.390 -0.820 1
1 616 . 6 1 1 A 59 59 ALA HA H 59 5.486 4.874 0.612 1
1 620 . 6 1 1 A 59 59 ALA C C 59 176.469 177.891 -1.422 1
1 621 . 6 1 1 A 59 59 ALA CA C 59 49.817 53.056 -3.239 1
1 622 . 6 1 1 A 59 59 ALA CB C 59 19.826 19.163 0.663 1
1 623 . 6 1 1 A 59 59 ALA N N 59 128.638 129.589 -0.951 1
1 624 . 6 1 1 A 60 60 PHE H H 60 9.387 8.515 0.872 1
1 625 . 6 1 1 A 60 60 PHE HA H 60 5.204 5.609 -0.405 1
1 632 . 6 1 1 A 60 60 PHE C C 60 172.955 172.529 0.426 1
1 633 . 6 1 1 A 60 60 PHE CA C 60 54.353 55.371 -1.018 1
1 634 . 6 1 1 A 60 60 PHE CB C 60 42.246 41.645 0.601 1
1 637 . 6 1 1 A 60 60 PHE N N 60 121.410 116.806 4.604 1
1 638 . 6 1 1 A 61 61 CYS H H 61 8.772 8.926 -0.154 1
1 639 . 6 1 1 A 61 61 CYS HA H 61 4.754 4.693 0.061 1
1 642 . 6 1 1 A 61 61 CYS C C 61 177.353 175.930 1.423 1
1 643 . 6 1 1 A 61 61 CYS CA C 61 58.032 57.241 0.791 1
1 644 . 6 1 1 A 61 61 CYS CB C 61 32.242 29.980 2.262 1
1 645 . 6 1 1 A 61 61 CYS N N 61 120.610 120.318 0.292 1
1 646 . 6 1 1 A 62 62 ARG H H 62 9.535 8.632 0.903 1
1 647 . 6 1 1 A 62 62 ARG HA H 62 4.027 4.148 -0.121 1
1 654 . 6 1 1 A 62 62 ARG C C 62 175.657 178.553 -2.896 1
1 655 . 6 1 1 A 62 62 ARG CA C 62 59.330 58.559 0.771 1
1 656 . 6 1 1 A 62 62 ARG CB C 62 31.196 29.845 1.351 1
1 659 . 6 1 1 A 62 62 ARG N N 62 130.041 126.871 3.170 1
1 660 . 6 1 1 A 63 63 GLU H H 63 8.721 7.411 1.310 1
1 661 . 6 1 1 A 63 63 GLU HA H 63 4.394 4.111 0.283 1
1 666 . 6 1 1 A 63 63 GLU C C 63 177.341 178.056 -0.715 1
1 667 . 6 1 1 A 63 63 GLU CA C 63 58.404 59.408 -1.004 1
1 668 . 6 1 1 A 63 63 GLU CB C 63 30.501 29.599 0.902 1
1 670 . 6 1 1 A 63 63 GLU N N 63 118.534 119.823 -1.289 1
1 671 . 6 1 1 A 64 64 CYS H H 64 8.050 7.827 0.223 1
1 672 . 6 1 1 A 64 64 CYS HA H 64 4.962 4.592 0.370 1
1 675 . 6 1 1 A 64 64 CYS C C 64 176.019 175.454 0.565 1
1 676 . 6 1 1 A 64 64 CYS CA C 64 58.858 58.211 0.647 1
1 677 . 6 1 1 A 64 64 CYS CB C 64 32.103 27.672 4.431 1
1 678 . 6 1 1 A 64 64 CYS N N 64 116.495 114.977 1.518 1
1 679 . 6 1 1 A 65 65 LYS H H 65 8.489 8.058 0.431 1
1 680 . 6 1 1 A 65 65 LYS HA H 65 4.191 4.525 -0.334 1
1 687 . 6 1 1 A 65 65 LYS C C 65 174.742 175.388 -0.646 1
1 688 . 6 1 1 A 65 65 LYS CA C 65 58.883 57.263 1.620 1
1 689 . 6 1 1 A 65 65 LYS CB C 65 28.865 30.170 -1.305 1
1 693 . 6 1 1 A 65 65 LYS N N 65 117.320 120.227 -2.907 1
1 694 . 6 1 1 A 66 66 GLU H H 66 8.272 7.387 0.885 1
1 695 . 6 1 1 A 66 66 GLU HA H 66 4.721 4.953 -0.232 1
1 700 . 6 1 1 A 66 66 GLU C C 66 175.422 175.658 -0.236 1
1 701 . 6 1 1 A 66 66 GLU CA C 66 55.285 54.525 0.760 1
1 702 . 6 1 1 A 66 66 GLU CB C 66 31.666 33.116 -1.450 1
1 704 . 6 1 1 A 66 66 GLU N N 66 117.719 119.257 -1.538 1
1 705 . 6 1 1 A 67 67 ALA H H 67 8.766 8.425 0.341 1
1 706 . 6 1 1 A 67 67 ALA HA H 67 4.177 4.465 -0.288 1
1 710 . 6 1 1 A 67 67 ALA C C 67 177.459 177.117 0.342 1
1 711 . 6 1 1 A 67 67 ALA CA C 67 53.019 53.167 -0.148 1
1 712 . 6 1 1 A 67 67 ALA CB C 67 18.548 19.052 -0.504 1
1 713 . 6 1 1 A 67 67 ALA N N 67 120.597 124.465 -3.868 1
1 714 . 6 1 1 A 68 68 TYR H H 68 8.061 9.140 -1.079 1
1 715 . 6 1 1 A 68 68 TYR HA H 68 4.531 4.387 0.144 1
1 722 . 6 1 1 A 68 68 TYR CA C 68 58.242 58.584 -0.342 1
1 723 . 6 1 1 A 68 68 TYR CB C 68 38.531 38.895 -0.364 1
1 728 . 6 1 1 A 68 68 TYR N N 68 120.592 123.713 -3.121 1
1 729 . 6 1 1 A 69 69 HIS HA H 69 4.643 4.586 0.057 1
1 734 . 6 1 1 A 69 69 HIS C C 69 173.158 175.443 -2.285 1
1 735 . 6 1 1 A 69 69 HIS CA C 69 51.310 57.454 -6.144 1
1 736 . 6 1 1 A 69 69 HIS CB C 69 32.038 30.501 1.537 1
1 739 . 6 1 1 A 70 70 GLU H H 70 8.796 8.203 0.593 1
1 740 . 6 1 1 A 70 70 GLU HA H 70 4.238 4.230 0.008 1
1 745 . 6 1 1 A 70 70 GLU C C 70 178.838 176.278 2.560 1
1 746 . 6 1 1 A 70 70 GLU CA C 70 55.450 58.029 -2.579 1
1 747 . 6 1 1 A 70 70 GLU CB C 70 30.527 27.279 3.248 1
1 749 . 6 1 1 A 70 70 GLU N N 70 120.194 115.698 4.496 1
1 750 . 6 1 1 A 71 71 GLY H H 71 8.876 8.085 0.791 1
1 751 . 6 1 1 A 71 71 GLY HA2 H 71 4.082 4.113 -0.031 1
1 752 . 6 1 1 A 71 71 GLY HA3 H 71 3.910 4.163 -0.253 1
1 753 . 6 1 1 A 71 71 GLY C C 71 173.634 171.543 2.091 1
1 754 . 6 1 1 A 71 71 GLY CA C 71 45.615 46.028 -0.413 1
1 755 . 6 1 1 A 71 71 GLY N N 71 111.118 106.171 4.947 1
1 756 . 6 1 1 A 72 72 GLU H H 72 8.391 7.696 0.695 1
1 757 . 6 1 1 A 72 72 GLU HA H 72 4.360 4.590 -0.230 1
1 762 . 6 1 1 A 72 72 GLU C C 72 177.319 176.178 1.141 1
1 763 . 6 1 1 A 72 72 GLU CA C 72 56.571 54.362 2.209 1
1 764 . 6 1 1 A 72 72 GLU CB C 72 30.411 33.383 -2.972 1
1 766 . 6 1 1 A 72 72 GLU N N 72 118.939 119.809 -0.870 1
1 767 . 6 1 1 A 73 73 CYS H H 73 8.574 8.902 -0.328 1
1 768 . 6 1 1 A 73 73 CYS HA H 73 3.770 4.150 -0.380 1
1 771 . 6 1 1 A 73 73 CYS C C 73 176.052 176.878 -0.826 1
1 772 . 6 1 1 A 73 73 CYS CA C 73 60.416 62.391 -1.975 1
1 773 . 6 1 1 A 73 73 CYS CB C 73 30.793 27.075 3.718 1
1 774 . 6 1 1 A 73 73 CYS N N 73 123.479 122.613 0.866 1
1 775 . 6 1 1 A 74 74 SER H H 74 8.541 8.141 0.400 1
1 776 . 6 1 1 A 74 74 SER HA H 74 4.288 4.142 0.146 1
1 779 . 6 1 1 A 74 74 SER C C 74 174.140 175.691 -1.551 1
1 780 . 6 1 1 A 74 74 SER CA C 74 58.591 61.442 -2.851 1
1 781 . 6 1 1 A 74 74 SER CB C 74 63.626 63.013 0.613 1
1 782 . 6 1 1 A 74 74 SER N N 74 117.297 115.570 1.727 1
1 783 . 6 1 1 A 75 75 ALA H H 75 8.092 7.894 0.198 1
1 784 . 6 1 1 A 75 75 ALA HA H 75 4.312 4.626 -0.314 1
1 788 . 6 1 1 A 75 75 ALA C C 75 177.173 177.931 -0.758 1
1 789 . 6 1 1 A 75 75 ALA CA C 75 52.403 51.391 1.012 1
1 790 . 6 1 1 A 75 75 ALA CB C 75 19.546 19.137 0.409 1
1 791 . 6 1 1 A 75 75 ALA N N 75 125.952 120.762 5.190 1
1 792 . 6 1 1 A 76 76 VAL H H 76 7.934 8.110 -0.176 1
1 793 . 6 1 1 A 76 76 VAL HA H 76 4.028 3.751 0.277 1
1 801 . 6 1 1 A 76 76 VAL C C 76 175.784 176.167 -0.383 1
1 802 . 6 1 1 A 76 76 VAL CA C 76 62.265 65.876 -3.611 1
1 803 . 6 1 1 A 76 76 VAL CB C 76 32.893 31.794 1.099 1
1 806 . 6 1 1 A 76 76 VAL N N 76 118.959 118.238 0.721 1
1 807 . 6 1 1 A 77 77 PHE H H 77 8.283 8.053 0.230 1
1 808 . 6 1 1 A 77 77 PHE HA H 77 4.670 4.962 -0.292 1
1 813 . 6 1 1 A 77 77 PHE C C 77 175.335 173.766 1.569 1
1 814 . 6 1 1 A 77 77 PHE CA C 77 57.588 56.570 1.018 1
1 815 . 6 1 1 A 77 77 PHE CB C 77 39.899 42.920 -3.021 1
1 818 . 6 1 1 A 77 77 PHE N N 77 124.298 122.242 2.056 1
1 819 . 6 1 1 A 78 78 GLU H H 78 8.262 7.802 0.460 1
1 820 . 6 1 1 A 78 78 GLU HA H 78 4.251 4.622 -0.371 1
1 825 . 6 1 1 A 78 78 GLU C C 78 175.451 176.061 -0.610 1
1 826 . 6 1 1 A 78 78 GLU CA C 78 56.179 54.362 1.817 1
1 827 . 6 1 1 A 78 78 GLU CB C 78 30.676 32.033 -1.357 1
1 829 . 6 1 1 A 78 78 GLU N N 78 123.482 126.029 -2.547 1
1 830 . 6 1 1 A 79 79 ALA H H 79 8.279 8.933 -0.654 1
1 831 . 6 1 1 A 79 79 ALA HA H 79 4.341 4.337 0.004 1
1 835 . 6 1 1 A 79 79 ALA C C 79 176.767 178.662 -1.895 1
1 836 . 6 1 1 A 79 79 ALA CA C 79 52.512 54.768 -2.256 1
1 837 . 6 1 1 A 79 79 ALA CB C 79 19.493 19.369 0.124 1
1 838 . 6 1 1 A 79 79 ALA N N 79 126.363 126.345 0.018 1
1 6 . 7 1 1 A 2 2 HIS H H 2 7.929 8.665 -0.736 1
1 9 . 7 1 1 A 2 2 HIS CB C 2 31.017 31.041 -0.024 1
1 12 . 7 1 1 A 2 2 HIS N N 2 118.946 121.315 -2.369 1
1 13 . 7 1 1 A 3 3 MET HA H 3 4.537 5.067 -0.530 1
1 16 . 7 1 1 A 3 3 MET C C 3 176.240 177.070 -0.830 1
1 17 . 7 1 1 A 3 3 MET CA C 3 55.681 53.432 2.249 1
1 18 . 7 1 1 A 3 3 MET CB C 3 33.063 35.449 -2.386 1
1 20 . 7 1 1 A 4 4 GLY H H 4 8.155 8.582 -0.427 1
1 21 . 7 1 1 A 4 4 GLY HA2 H 4 4.031 3.926 0.105 1
1 22 . 7 1 1 A 4 4 GLY HA3 H 4 4.031 3.949 0.082 1
1 23 . 7 1 1 A 4 4 GLY C C 4 174.348 174.296 0.052 1
1 24 . 7 1 1 A 4 4 GLY CA C 4 45.418 46.712 -1.294 1
1 25 . 7 1 1 A 4 4 GLY N N 4 108.673 108.185 0.488 1
1 26 . 7 1 1 A 5 5 GLU H H 5 8.351 7.940 0.411 1
1 27 . 7 1 1 A 5 5 GLU HA H 5 4.275 4.798 -0.523 1
1 32 . 7 1 1 A 5 5 GLU C C 5 177.037 174.399 2.638 1
1 33 . 7 1 1 A 5 5 GLU CA C 5 57.098 55.551 1.547 1
1 34 . 7 1 1 A 5 5 GLU CB C 5 30.282 32.245 -1.963 1
1 36 . 7 1 1 A 5 5 GLU N N 5 120.605 119.423 1.182 1
1 37 . 7 1 1 A 6 6 GLU H H 6 8.641 8.558 0.083 1
1 38 . 7 1 1 A 6 6 GLU HA H 6 4.248 4.560 -0.312 1
1 43 . 7 1 1 A 6 6 GLU C C 6 176.799 174.576 2.223 1
1 44 . 7 1 1 A 6 6 GLU CA C 6 57.344 55.060 2.284 1
1 45 . 7 1 1 A 6 6 GLU CB C 6 29.842 33.977 -4.135 1
1 47 . 7 1 1 A 6 6 GLU N N 6 121.425 126.664 -5.239 1
1 48 . 7 1 1 A 7 7 GLN H H 7 8.304 8.355 -0.051 1
1 53 . 7 1 1 A 7 7 GLN C C 7 175.537 175.445 0.092 1
1 54 . 7 1 1 A 7 7 GLN CA C 7 56.292 56.091 0.201 1
1 55 . 7 1 1 A 7 7 GLN CB C 7 29.164 29.088 0.076 1
1 57 . 7 1 1 A 7 7 GLN N N 7 120.185 122.795 -2.610 1
1 59 . 7 1 1 A 8 8 TYR H H 8 8.221 8.869 -0.648 1
1 60 . 7 1 1 A 8 8 TYR HA H 8 4.606 5.164 -0.558 1
1 67 . 7 1 1 A 8 8 TYR C C 8 175.728 175.041 0.687 1
1 68 . 7 1 1 A 8 8 TYR CA C 8 58.138 56.891 1.247 1
1 69 . 7 1 1 A 8 8 TYR CB C 8 38.766 41.311 -2.545 1
1 70 . 7 1 1 A 8 8 TYR N N 8 120.918 122.109 -1.191 1
1 71 . 7 1 1 A 9 9 ASN H H 9 8.288 8.985 -0.697 1
1 72 . 7 1 1 A 9 9 ASN HA H 9 4.654 5.334 -0.680 1
1 77 . 7 1 1 A 9 9 ASN C C 9 175.439 173.403 2.036 1
1 78 . 7 1 1 A 9 9 ASN CA C 9 53.435 53.096 0.339 1
1 79 . 7 1 1 A 9 9 ASN CB C 9 38.790 41.630 -2.840 1
1 80 . 7 1 1 A 9 9 ASN N N 9 120.180 120.048 0.132 1
1 82 . 7 1 1 A 10 10 ARG H H 10 8.128 8.816 -0.688 1
1 83 . 7 1 1 A 10 10 ARG HA H 10 4.171 4.834 -0.663 1
1 90 . 7 1 1 A 10 10 ARG C C 10 176.244 175.233 1.011 1
1 91 . 7 1 1 A 10 10 ARG CA C 10 57.023 54.409 2.614 1
1 92 . 7 1 1 A 10 10 ARG CB C 10 30.535 34.241 -3.706 1
1 95 . 7 1 1 A 10 10 ARG N N 10 121.014 125.141 -4.127 1
1 96 . 7 1 1 A 11 11 TYR H H 11 8.108 8.402 -0.294 1
1 97 . 7 1 1 A 11 11 TYR HA H 11 4.543 4.097 0.446 1
1 104 . 7 1 1 A 11 11 TYR C C 11 175.929 174.250 1.679 1
1 105 . 7 1 1 A 11 11 TYR CA C 11 58.219 58.802 -0.583 1
1 106 . 7 1 1 A 11 11 TYR CB C 11 38.365 35.431 2.934 1
1 107 . 7 1 1 A 11 11 TYR N N 11 119.776 118.177 1.599 1
1 108 . 7 1 1 A 12 12 GLN H H 12 8.050 7.656 0.394 1
1 109 . 7 1 1 A 12 12 GLN HA H 12 4.269 4.824 -0.555 1
1 116 . 7 1 1 A 12 12 GLN C C 12 175.917 173.886 2.031 1
1 117 . 7 1 1 A 12 12 GLN CA C 12 56.240 55.289 0.951 1
1 118 . 7 1 1 A 12 12 GLN CB C 12 29.463 32.099 -2.636 1
1 120 . 7 1 1 A 12 12 GLN N N 12 120.992 117.883 3.109 1
1 122 . 7 1 1 A 13 13 GLN H H 13 8.065 8.743 -0.678 1
1 123 . 7 1 1 A 13 13 GLN HA H 13 4.202 5.272 -1.070 1
1 130 . 7 1 1 A 13 13 GLN C C 13 175.644 173.207 2.437 1
1 131 . 7 1 1 A 13 13 GLN CA C 13 56.242 54.697 1.545 1
1 132 . 7 1 1 A 13 13 GLN CB C 13 29.394 32.910 -3.516 1
1 134 . 7 1 1 A 13 13 GLN N N 13 120.539 119.563 0.976 1
1 136 . 7 1 1 A 14 14 TYR H H 14 8.212 8.866 -0.654 1
1 137 . 7 1 1 A 14 14 TYR HA H 14 4.572 4.834 -0.262 1
1 144 . 7 1 1 A 14 14 TYR C C 14 176.382 175.316 1.066 1
1 145 . 7 1 1 A 14 14 TYR CA C 14 57.958 56.789 1.169 1
1 146 . 7 1 1 A 14 14 TYR CB C 14 38.983 42.746 -3.763 1
1 151 . 7 1 1 A 14 14 TYR N N 14 120.582 117.191 3.391 1
1 152 . 7 1 1 A 15 15 GLY H H 15 8.405 9.007 -0.602 1
1 153 . 7 1 1 A 15 15 GLY HA2 H 15 3.933 4.047 -0.114 1
1 154 . 7 1 1 A 15 15 GLY HA3 H 15 3.933 4.050 -0.117 1
1 155 . 7 1 1 A 15 15 GLY C C 15 173.776 172.661 1.115 1
1 156 . 7 1 1 A 15 15 GLY CA C 15 45.407 45.561 -0.154 1
1 157 . 7 1 1 A 15 15 GLY N N 15 110.724 112.139 -1.415 1
1 158 . 7 1 1 A 16 16 ALA H H 16 8.160 8.535 -0.375 1
1 159 . 7 1 1 A 16 16 ALA HA H 16 4.302 4.410 -0.108 1
1 163 . 7 1 1 A 16 16 ALA C C 16 178.147 177.744 0.403 1
1 164 . 7 1 1 A 16 16 ALA CA C 16 53.034 51.441 1.593 1
1 165 . 7 1 1 A 16 16 ALA CB C 16 19.392 19.079 0.313 1
1 166 . 7 1 1 A 16 16 ALA N N 16 123.489 125.468 -1.979 1
1 167 . 7 1 1 A 17 17 GLU H H 17 8.612 9.104 -0.492 1
1 168 . 7 1 1 A 17 17 GLU HA H 17 4.169 4.357 -0.188 1
1 173 . 7 1 1 A 17 17 GLU C C 17 177.000 176.662 0.338 1
1 174 . 7 1 1 A 17 17 GLU CA C 17 57.837 58.139 -0.302 1
1 175 . 7 1 1 A 17 17 GLU CB C 17 29.881 30.767 -0.886 1
1 177 . 7 1 1 A 17 17 GLU N N 17 119.373 125.880 -6.507 1
1 178 . 7 1 1 A 18 18 GLU H H 18 8.413 7.947 0.466 1
1 179 . 7 1 1 A 18 18 GLU HA H 18 4.210 4.589 -0.379 1
1 184 . 7 1 1 A 18 18 GLU C C 18 177.015 175.460 1.555 1
1 185 . 7 1 1 A 18 18 GLU CA C 18 57.641 55.905 1.736 1
1 186 . 7 1 1 A 18 18 GLU CB C 18 29.980 30.449 -0.469 1
1 188 . 7 1 1 A 18 18 GLU N N 18 120.184 115.200 4.984 1
1 189 . 7 1 1 A 19 19 CYS H H 19 8.253 8.485 -0.232 1
1 190 . 7 1 1 A 19 19 CYS HA H 19 4.381 5.075 -0.694 1
1 193 . 7 1 1 A 19 19 CYS C C 19 175.552 173.667 1.885 1
1 194 . 7 1 1 A 19 19 CYS CA C 19 59.819 57.700 2.119 1
1 195 . 7 1 1 A 19 19 CYS CB C 19 27.554 30.703 -3.149 1
1 196 . 7 1 1 A 19 19 CYS N N 19 119.775 121.855 -2.080 1
1 197 . 7 1 1 A 20 20 VAL H H 20 8.051 8.530 -0.479 1
1 198 . 7 1 1 A 20 20 VAL HA H 20 3.939 3.575 0.364 1
1 206 . 7 1 1 A 20 20 VAL C C 20 173.904 174.821 -0.917 1
1 207 . 7 1 1 A 20 20 VAL CA C 20 64.113 63.052 1.061 1
1 208 . 7 1 1 A 20 20 VAL CB C 20 32.316 30.092 2.224 1
1 211 . 7 1 1 A 20 20 VAL N N 20 121.008 118.422 2.586 1
1 212 . 7 1 1 A 21 21 LEU H H 21 8.190 7.765 0.425 1
1 213 . 7 1 1 A 21 21 LEU HA H 21 4.648 4.667 -0.019 1
1 222 . 7 1 1 A 21 21 LEU CA C 21 54.565 53.307 1.258 1
1 223 . 7 1 1 A 21 21 LEU CB C 21 41.542 43.263 -1.721 1
1 225 . 7 1 1 A 21 21 LEU N N 21 123.470 121.967 1.503 1
1 226 . 7 1 1 A 22 22 GLN H H 22 8.322 8.342 -0.020 1
1 227 . 7 1 1 A 22 22 GLN HA H 22 4.046 4.365 -0.319 1
1 230 . 7 1 1 A 22 22 GLN C C 22 176.428 176.075 0.353 1
1 231 . 7 1 1 A 22 22 GLN CA C 22 56.800 56.584 0.216 1
1 232 . 7 1 1 A 22 22 GLN CB C 22 29.116 29.083 0.033 1
1 234 . 7 1 1 A 22 22 GLN N N 22 120.999 120.700 0.299 1
1 236 . 7 1 1 A 23 23 MET H H 23 7.958 8.674 -0.716 1
1 237 . 7 1 1 A 23 23 MET HA H 23 4.487 4.296 0.191 1
1 245 . 7 1 1 A 23 23 MET C C 23 176.558 176.258 0.300 1
1 246 . 7 1 1 A 23 23 MET CA C 23 55.842 55.998 -0.156 1
1 247 . 7 1 1 A 23 23 MET CB C 23 32.712 32.902 -0.190 1
1 250 . 7 1 1 A 23 23 MET N N 23 118.950 122.944 -3.994 1
1 251 . 7 1 1 A 24 24 GLY H H 24 8.549 8.272 0.277 1
1 252 . 7 1 1 A 24 24 GLY HA2 H 24 4.163 4.087 0.076 1
1 253 . 7 1 1 A 24 24 GLY HA3 H 24 3.919 4.092 -0.173 1
1 254 . 7 1 1 A 24 24 GLY C C 24 174.799 174.220 0.579 1
1 255 . 7 1 1 A 24 24 GLY CA C 24 45.547 45.790 -0.243 1
1 256 . 7 1 1 A 24 24 GLY N N 24 110.724 108.013 2.711 1
1 257 . 7 1 1 A 25 25 GLY H H 25 8.216 8.407 -0.191 1
1 258 . 7 1 1 A 25 25 GLY HA2 H 25 4.455 3.871 0.584 1
1 259 . 7 1 1 A 25 25 GLY HA3 H 25 3.921 3.880 0.041 1
1 260 . 7 1 1 A 25 25 GLY C C 25 172.658 173.767 -1.109 1
1 261 . 7 1 1 A 25 25 GLY CA C 25 45.087 46.025 -0.938 1
1 262 . 7 1 1 A 25 25 GLY N N 25 107.443 114.154 -6.711 1
1 263 . 7 1 1 A 26 26 VAL H H 26 8.726 8.629 0.097 1
1 264 . 7 1 1 A 26 26 VAL HA H 26 4.533 4.878 -0.345 1
1 272 . 7 1 1 A 26 26 VAL C C 26 172.923 174.234 -1.311 1
1 273 . 7 1 1 A 26 26 VAL CA C 26 59.864 59.400 0.464 1
1 274 . 7 1 1 A 26 26 VAL CB C 26 35.551 35.763 -0.212 1
1 277 . 7 1 1 A 26 26 VAL N N 26 116.467 123.674 -7.207 1
1 278 . 7 1 1 A 27 27 LEU H H 27 8.201 8.829 -0.628 1
1 279 . 7 1 1 A 27 27 LEU HA H 27 5.057 5.073 -0.016 1
1 289 . 7 1 1 A 27 27 LEU C C 27 176.746 174.948 1.798 1
1 290 . 7 1 1 A 27 27 LEU CA C 27 53.134 53.101 0.033 1
1 291 . 7 1 1 A 27 27 LEU CB C 27 42.926 45.915 -2.989 1
1 294 . 7 1 1 A 27 27 LEU N N 27 124.428 124.975 -0.547 1
1 295 . 7 1 1 A 28 28 CYS H H 28 8.902 8.668 0.234 1
1 296 . 7 1 1 A 28 28 CYS HA H 28 4.158 4.454 -0.296 1
1 299 . 7 1 1 A 28 28 CYS CA C 28 57.728 58.139 -0.411 1
1 300 . 7 1 1 A 28 28 CYS CB C 28 32.175 27.302 4.873 1
1 301 . 7 1 1 A 28 28 CYS N N 28 127.173 119.850 7.323 1
1 302 . 7 1 1 A 29 29 PRO HA H 29 4.410 4.368 0.042 1
1 309 . 7 1 1 A 29 29 PRO C C 29 177.459 176.285 1.174 1
1 310 . 7 1 1 A 29 29 PRO CA C 29 62.872 64.271 -1.399 1
1 311 . 7 1 1 A 29 29 PRO CB C 29 32.813 31.780 1.033 1
1 314 . 7 1 1 A 30 30 ARG H H 30 9.132 7.623 1.509 1
1 315 . 7 1 1 A 30 30 ARG HA H 30 4.087 4.384 -0.297 1
1 322 . 7 1 1 A 30 30 ARG CA C 30 55.102 54.934 0.168 1
1 323 . 7 1 1 A 30 30 ARG CB C 30 29.469 29.770 -0.301 1
1 326 . 7 1 1 A 30 30 ARG N N 30 127.589 120.313 7.276 1
1 327 . 7 1 1 A 31 31 PRO HA H 31 4.242 4.319 -0.077 1
1 334 . 7 1 1 A 31 31 PRO C C 31 177.828 177.428 0.400 1
1 335 . 7 1 1 A 31 31 PRO CA C 31 64.202 63.578 0.624 1
1 336 . 7 1 1 A 31 31 PRO CB C 31 31.518 31.003 0.515 1
1 339 . 7 1 1 A 32 32 GLY H H 32 8.773 8.345 0.428 1
1 340 . 7 1 1 A 32 32 GLY HA2 H 32 4.065 3.936 0.129 1
1 341 . 7 1 1 A 32 32 GLY HA3 H 32 3.706 3.938 -0.232 1
1 342 . 7 1 1 A 32 32 GLY C C 32 173.340 175.194 -1.854 1
1 343 . 7 1 1 A 32 32 GLY CA C 32 45.272 45.460 -0.188 1
1 344 . 7 1 1 A 32 32 GLY N N 32 111.942 112.319 -0.377 1
1 345 . 7 1 1 A 33 33 CYS H H 33 7.749 8.203 -0.454 1
1 346 . 7 1 1 A 33 33 CYS HA H 33 4.528 4.059 0.469 1
1 349 . 7 1 1 A 33 33 CYS CA C 33 60.515 62.512 -1.997 1
1 350 . 7 1 1 A 33 33 CYS CB C 33 29.641 27.252 2.389 1
1 351 . 7 1 1 A 33 33 CYS N N 33 123.343 120.762 2.581 1
1 352 . 7 1 1 A 34 34 GLY H H 34 8.351 7.996 0.355 1
1 353 . 7 1 1 A 34 34 GLY HA2 H 34 4.120 3.864 0.256 1
1 354 . 7 1 1 A 34 34 GLY HA3 H 34 3.911 3.874 0.037 1
1 355 . 7 1 1 A 34 34 GLY C C 34 173.849 175.210 -1.361 1
1 356 . 7 1 1 A 34 34 GLY CA C 34 46.225 47.186 -0.961 1
1 357 . 7 1 1 A 34 34 GLY N N 34 106.570 108.185 -1.615 1
1 358 . 7 1 1 A 35 35 ALA H H 35 8.591 8.177 0.414 1
1 359 . 7 1 1 A 35 35 ALA HA H 35 4.091 4.038 0.053 1
1 363 . 7 1 1 A 35 35 ALA C C 35 176.818 178.168 -1.350 1
1 364 . 7 1 1 A 35 35 ALA CA C 35 53.757 55.324 -1.567 1
1 365 . 7 1 1 A 35 35 ALA CB C 35 20.271 18.425 1.846 1
1 366 . 7 1 1 A 35 35 ALA N N 35 125.109 123.647 1.462 1
1 367 . 7 1 1 A 36 36 GLY H H 36 8.348 8.306 0.042 1
1 368 . 7 1 1 A 36 36 GLY HA2 H 36 4.412 3.891 0.521 1
1 369 . 7 1 1 A 36 36 GLY HA3 H 36 3.479 3.893 -0.414 1
1 370 . 7 1 1 A 36 36 GLY C C 36 177.324 173.472 3.852 1
1 371 . 7 1 1 A 36 36 GLY CA C 36 45.847 47.117 -1.270 1
1 372 . 7 1 1 A 36 36 GLY N N 36 106.607 106.474 0.133 1
1 373 . 7 1 1 A 37 37 LEU H H 37 8.190 7.741 0.449 1
1 374 . 7 1 1 A 37 37 LEU HA H 37 4.753 5.013 -0.260 1
1 384 . 7 1 1 A 37 37 LEU C C 37 177.064 175.128 1.936 1
1 385 . 7 1 1 A 37 37 LEU CB C 37 44.730 45.371 -0.641 1
1 389 . 7 1 1 A 37 37 LEU N N 37 123.541 115.289 8.252 1
1 390 . 7 1 1 A 38 38 LEU H H 38 8.210 8.923 -0.713 1
1 391 . 7 1 1 A 38 38 LEU HA H 38 4.981 5.008 -0.027 1
1 401 . 7 1 1 A 38 38 LEU CA C 38 51.755 51.429 0.326 1
1 402 . 7 1 1 A 38 38 LEU CB C 38 42.309 43.605 -1.296 1
1 405 . 7 1 1 A 38 38 LEU N N 38 124.280 122.993 1.287 1
1 406 . 7 1 1 A 39 39 PRO HA H 39 4.600 4.568 0.032 1
1 413 . 7 1 1 A 39 39 PRO C C 39 176.647 176.357 0.290 1
1 414 . 7 1 1 A 39 39 PRO CA C 39 62.130 62.191 -0.061 1
1 415 . 7 1 1 A 39 39 PRO CB C 39 32.686 32.443 0.243 1
1 418 . 7 1 1 A 40 40 GLU H H 40 8.631 8.589 0.042 1
1 419 . 7 1 1 A 40 40 GLU HA H 40 4.485 4.410 0.075 1
1 424 . 7 1 1 A 40 40 GLU CA C 40 55.067 55.103 -0.036 1
1 425 . 7 1 1 A 40 40 GLU CB C 40 29.310 29.110 0.200 1
1 426 . 7 1 1 A 40 40 GLU N N 40 122.240 120.671 1.569 1
1 427 . 7 1 1 A 41 41 PRO HA H 41 3.869 4.406 -0.537 1
1 434 . 7 1 1 A 41 41 PRO C C 41 176.908 175.934 0.974 1
1 435 . 7 1 1 A 41 41 PRO CA C 41 64.772 63.842 0.930 1
1 436 . 7 1 1 A 41 41 PRO CB C 41 32.172 31.027 1.145 1
1 439 . 7 1 1 A 42 42 ASP H H 42 8.486 8.134 0.352 1
1 440 . 7 1 1 A 42 42 ASP HA H 42 4.456 4.793 -0.337 1
1 443 . 7 1 1 A 42 42 ASP C C 42 175.265 176.414 -1.149 1
1 444 . 7 1 1 A 42 42 ASP CA C 42 54.480 52.908 1.572 1
1 445 . 7 1 1 A 42 42 ASP CB C 42 40.139 41.644 -1.505 1
1 446 . 7 1 1 A 42 42 ASP N N 42 114.895 120.815 -5.920 1
1 447 . 7 1 1 A 43 43 GLN H H 43 7.280 8.791 -1.511 1
1 448 . 7 1 1 A 43 43 GLN HA H 43 4.420 3.982 0.438 1
1 455 . 7 1 1 A 43 43 GLN CA C 43 54.877 58.334 -3.457 1
1 456 . 7 1 1 A 43 43 GLN CB C 43 30.219 27.854 2.365 1
1 458 . 7 1 1 A 43 43 GLN N N 43 118.523 124.415 -5.892 1
1 460 . 7 1 1 A 44 44 ARG H H 44 8.207 7.820 0.387 1
1 461 . 7 1 1 A 44 44 ARG HA H 44 4.206 4.100 0.106 1
1 468 . 7 1 1 A 44 44 ARG C C 44 175.581 176.407 -0.826 1
1 469 . 7 1 1 A 44 44 ARG CA C 44 58.285 59.197 -0.912 1
1 470 . 7 1 1 A 44 44 ARG CB C 44 32.175 30.074 2.101 1
1 473 . 7 1 1 A 44 44 ARG N N 44 120.127 119.959 0.168 1
1 474 . 7 1 1 A 45 45 LYS H H 45 7.909 7.363 0.546 1
1 475 . 7 1 1 A 45 45 LYS HA H 45 3.985 4.746 -0.761 1
1 484 . 7 1 1 A 45 45 LYS C C 45 174.753 174.085 0.668 1
1 485 . 7 1 1 A 45 45 LYS CA C 45 56.378 55.541 0.837 1
1 486 . 7 1 1 A 45 45 LYS CB C 45 32.190 34.550 -2.360 1
1 490 . 7 1 1 A 45 45 LYS N N 45 118.935 118.410 0.525 1
1 491 . 7 1 1 A 46 46 VAL H H 46 8.574 9.008 -0.434 1
1 492 . 7 1 1 A 46 46 VAL HA H 46 3.870 4.616 -0.746 1
1 500 . 7 1 1 A 46 46 VAL C C 46 173.589 174.826 -1.237 1
1 501 . 7 1 1 A 46 46 VAL CA C 46 60.777 61.035 -0.258 1
1 502 . 7 1 1 A 46 46 VAL CB C 46 32.263 33.552 -1.289 1
1 505 . 7 1 1 A 46 46 VAL N N 46 130.468 126.296 4.172 1
1 506 . 7 1 1 A 47 47 THR H H 47 8.098 8.888 -0.790 1
1 507 . 7 1 1 A 47 47 THR HA H 47 4.864 4.679 0.185 1
1 512 . 7 1 1 A 47 47 THR C C 47 173.666 175.432 -1.766 1
1 513 . 7 1 1 A 47 47 THR CA C 47 61.070 61.667 -0.597 1
1 514 . 7 1 1 A 47 47 THR CB C 47 69.693 69.983 -0.290 1
1 516 . 7 1 1 A 47 47 THR N N 47 120.392 122.591 -2.199 1
1 517 . 7 1 1 A 48 48 CYS H H 48 8.928 9.037 -0.109 1
1 518 . 7 1 1 A 48 48 CYS HA H 48 4.581 4.493 0.088 1
1 521 . 7 1 1 A 48 48 CYS C C 48 174.212 175.121 -0.909 1
1 522 . 7 1 1 A 48 48 CYS CA C 48 59.848 60.800 -0.952 1
1 523 . 7 1 1 A 48 48 CYS CB C 48 29.425 27.581 1.844 1
1 524 . 7 1 1 A 48 48 CYS N N 48 130.472 124.471 6.001 1
1 525 . 7 1 1 A 49 49 GLU H H 49 7.552 7.776 -0.224 1
1 526 . 7 1 1 A 49 49 GLU HA H 49 4.647 4.578 0.069 1
1 531 . 7 1 1 A 49 49 GLU C C 49 175.297 176.566 -1.269 1
1 532 . 7 1 1 A 49 49 GLU CA C 49 55.852 55.836 0.016 1
1 533 . 7 1 1 A 49 49 GLU CB C 49 31.404 30.359 1.045 1
1 535 . 7 1 1 A 49 49 GLU N N 49 128.705 121.671 7.034 1
1 536 . 7 1 1 A 50 50 GLY H H 50 8.459 8.042 0.417 1
1 537 . 7 1 1 A 50 50 GLY HA2 H 50 4.128 4.333 -0.205 1
1 538 . 7 1 1 A 50 50 GLY HA3 H 50 3.916 4.337 -0.421 1
1 539 . 7 1 1 A 50 50 GLY C C 50 174.247 174.371 -0.124 1
1 540 . 7 1 1 A 50 50 GLY CA C 50 45.243 45.446 -0.203 1
1 541 . 7 1 1 A 50 50 GLY N N 50 109.953 109.801 0.152 1
1 542 . 7 1 1 A 51 51 GLY H H 51 8.548 9.030 -0.482 1
1 543 . 7 1 1 A 51 51 GLY HA2 H 51 3.991 3.901 0.090 1
1 544 . 7 1 1 A 51 51 GLY HA3 H 51 3.991 3.902 0.089 1
1 545 . 7 1 1 A 51 51 GLY C C 51 174.381 174.853 -0.472 1
1 546 . 7 1 1 A 51 51 GLY CA C 51 45.714 45.287 0.427 1
1 547 . 7 1 1 A 51 51 GLY N N 51 109.074 107.613 1.461 1
1 548 . 7 1 1 A 52 52 ASN H H 52 8.740 7.684 1.056 1
1 549 . 7 1 1 A 52 52 ASN HA H 52 4.566 4.746 -0.180 1
1 554 . 7 1 1 A 52 52 ASN C C 52 175.686 175.411 0.275 1
1 555 . 7 1 1 A 52 52 ASN CA C 52 53.618 54.168 -0.550 1
1 556 . 7 1 1 A 52 52 ASN CB C 52 38.009 39.844 -1.835 1
1 557 . 7 1 1 A 52 52 ASN N N 52 118.415 116.904 1.511 1
1 559 . 7 1 1 A 53 53 GLY H H 53 8.367 7.603 0.764 1
1 560 . 7 1 1 A 53 53 GLY HA2 H 53 4.101 4.052 0.049 1
1 561 . 7 1 1 A 53 53 GLY HA3 H 53 3.808 4.052 -0.244 1
1 562 . 7 1 1 A 53 53 GLY C C 53 174.323 174.567 -0.244 1
1 563 . 7 1 1 A 53 53 GLY CA C 53 45.675 45.473 0.202 1
1 564 . 7 1 1 A 53 53 GLY N N 53 107.419 105.885 1.534 1
1 565 . 7 1 1 A 54 54 LEU H H 54 7.703 7.767 -0.064 1
1 566 . 7 1 1 A 54 54 LEU HA H 54 4.405 4.425 -0.020 1
1 576 . 7 1 1 A 54 54 LEU C C 54 177.359 176.413 0.946 1
1 577 . 7 1 1 A 54 54 LEU CA C 54 55.162 54.615 0.547 1
1 578 . 7 1 1 A 54 54 LEU CB C 54 42.742 43.784 -1.042 1
1 582 . 7 1 1 A 54 54 LEU N N 54 121.020 119.663 1.357 1
1 583 . 7 1 1 A 55 55 GLY H H 55 8.265 8.376 -0.111 1
1 584 . 7 1 1 A 55 55 GLY HA2 H 55 4.112 4.206 -0.094 1
1 585 . 7 1 1 A 55 55 GLY HA3 H 55 4.112 4.215 -0.103 1
1 586 . 7 1 1 A 55 55 GLY C C 55 174.453 174.424 0.029 1
1 587 . 7 1 1 A 55 55 GLY CA C 55 45.438 45.677 -0.239 1
1 588 . 7 1 1 A 55 55 GLY N N 55 109.910 106.745 3.165 1
1 589 . 7 1 1 A 56 56 CYS H H 56 10.071 8.256 1.815 1
1 590 . 7 1 1 A 56 56 CYS HA H 56 4.928 4.283 0.645 1
1 593 . 7 1 1 A 56 56 CYS C C 56 177.993 174.995 2.998 1
1 594 . 7 1 1 A 56 56 CYS CA C 56 59.541 60.760 -1.219 1
1 595 . 7 1 1 A 56 56 CYS CB C 56 32.099 27.960 4.139 1
1 596 . 7 1 1 A 56 56 CYS N N 56 124.504 123.931 0.573 1
1 597 . 7 1 1 A 57 57 GLY H H 57 9.174 8.173 1.001 1
1 598 . 7 1 1 A 57 57 GLY HA2 H 57 4.313 4.047 0.266 1
1 599 . 7 1 1 A 57 57 GLY HA3 H 57 3.668 4.060 -0.392 1
1 600 . 7 1 1 A 57 57 GLY C C 57 173.686 173.879 -0.193 1
1 601 . 7 1 1 A 57 57 GLY CA C 57 45.860 45.166 0.694 1
1 602 . 7 1 1 A 57 57 GLY N N 57 114.428 108.087 6.341 1
1 603 . 7 1 1 A 58 58 PHE H H 58 9.036 7.776 1.260 1
1 604 . 7 1 1 A 58 58 PHE HA H 58 4.623 4.874 -0.251 1
1 611 . 7 1 1 A 58 58 PHE C C 58 173.896 174.350 -0.454 1
1 612 . 7 1 1 A 58 58 PHE CA C 58 58.969 56.700 2.269 1
1 613 . 7 1 1 A 58 58 PHE CB C 58 41.132 41.419 -0.287 1
1 614 . 7 1 1 A 58 58 PHE N N 58 125.130 119.892 5.238 1
1 615 . 7 1 1 A 59 59 ALA H H 59 7.570 8.442 -0.872 1
1 616 . 7 1 1 A 59 59 ALA HA H 59 5.486 4.924 0.562 1
1 620 . 7 1 1 A 59 59 ALA C C 59 176.469 177.479 -1.010 1
1 621 . 7 1 1 A 59 59 ALA CA C 59 49.817 52.590 -2.773 1
1 622 . 7 1 1 A 59 59 ALA CB C 59 19.826 19.429 0.397 1
1 623 . 7 1 1 A 59 59 ALA N N 59 128.638 129.990 -1.352 1
1 624 . 7 1 1 A 60 60 PHE H H 60 9.387 8.545 0.842 1
1 625 . 7 1 1 A 60 60 PHE HA H 60 5.204 5.566 -0.362 1
1 632 . 7 1 1 A 60 60 PHE C C 60 172.955 172.266 0.689 1
1 633 . 7 1 1 A 60 60 PHE CA C 60 54.353 55.434 -1.081 1
1 634 . 7 1 1 A 60 60 PHE CB C 60 42.246 41.636 0.610 1
1 637 . 7 1 1 A 60 60 PHE N N 60 121.410 115.738 5.672 1
1 638 . 7 1 1 A 61 61 CYS H H 61 8.772 8.761 0.011 1
1 639 . 7 1 1 A 61 61 CYS HA H 61 4.754 4.625 0.129 1
1 642 . 7 1 1 A 61 61 CYS C C 61 177.353 175.945 1.408 1
1 643 . 7 1 1 A 61 61 CYS CA C 61 58.032 57.545 0.487 1
1 644 . 7 1 1 A 61 61 CYS CB C 61 32.242 30.179 2.063 1
1 645 . 7 1 1 A 61 61 CYS N N 61 120.610 120.247 0.363 1
1 646 . 7 1 1 A 62 62 ARG H H 62 9.535 8.541 0.994 1
1 647 . 7 1 1 A 62 62 ARG HA H 62 4.027 4.115 -0.088 1
1 654 . 7 1 1 A 62 62 ARG C C 62 175.657 178.485 -2.828 1
1 655 . 7 1 1 A 62 62 ARG CA C 62 59.330 58.759 0.571 1
1 656 . 7 1 1 A 62 62 ARG CB C 62 31.196 29.906 1.290 1
1 659 . 7 1 1 A 62 62 ARG N N 62 130.041 126.762 3.279 1
1 660 . 7 1 1 A 63 63 GLU H H 63 8.721 7.409 1.312 1
1 661 . 7 1 1 A 63 63 GLU HA H 63 4.394 4.080 0.314 1
1 666 . 7 1 1 A 63 63 GLU C C 63 177.341 177.963 -0.622 1
1 667 . 7 1 1 A 63 63 GLU CA C 63 58.404 59.411 -1.007 1
1 668 . 7 1 1 A 63 63 GLU CB C 63 30.501 29.514 0.987 1
1 670 . 7 1 1 A 63 63 GLU N N 63 118.534 119.990 -1.456 1
1 671 . 7 1 1 A 64 64 CYS H H 64 8.050 7.844 0.206 1
1 672 . 7 1 1 A 64 64 CYS HA H 64 4.962 4.612 0.350 1
1 675 . 7 1 1 A 64 64 CYS C C 64 176.019 175.445 0.574 1
1 676 . 7 1 1 A 64 64 CYS CA C 64 58.858 58.158 0.700 1
1 677 . 7 1 1 A 64 64 CYS CB C 64 32.103 27.848 4.255 1
1 678 . 7 1 1 A 64 64 CYS N N 64 116.495 115.148 1.347 1
1 679 . 7 1 1 A 65 65 LYS H H 65 8.489 8.079 0.410 1
1 680 . 7 1 1 A 65 65 LYS HA H 65 4.191 4.659 -0.468 1
1 687 . 7 1 1 A 65 65 LYS C C 65 174.742 175.374 -0.632 1
1 688 . 7 1 1 A 65 65 LYS CA C 65 58.883 57.301 1.582 1
1 689 . 7 1 1 A 65 65 LYS CB C 65 28.865 30.222 -1.357 1
1 693 . 7 1 1 A 65 65 LYS N N 65 117.320 120.216 -2.896 1
1 694 . 7 1 1 A 66 66 GLU H H 66 8.272 7.394 0.878 1
1 695 . 7 1 1 A 66 66 GLU HA H 66 4.721 4.905 -0.184 1
1 700 . 7 1 1 A 66 66 GLU C C 66 175.422 175.758 -0.336 1
1 701 . 7 1 1 A 66 66 GLU CA C 66 55.285 54.542 0.743 1
1 702 . 7 1 1 A 66 66 GLU CB C 66 31.666 33.042 -1.376 1
1 704 . 7 1 1 A 66 66 GLU N N 66 117.719 119.349 -1.630 1
1 705 . 7 1 1 A 67 67 ALA H H 67 8.766 8.483 0.283 1
1 706 . 7 1 1 A 67 67 ALA HA H 67 4.177 4.459 -0.282 1
1 710 . 7 1 1 A 67 67 ALA C C 67 177.459 177.036 0.423 1
1 711 . 7 1 1 A 67 67 ALA CA C 67 53.019 53.144 -0.125 1
1 712 . 7 1 1 A 67 67 ALA CB C 67 18.548 19.080 -0.532 1
1 713 . 7 1 1 A 67 67 ALA N N 67 120.597 124.502 -3.905 1
1 714 . 7 1 1 A 68 68 TYR H H 68 8.061 8.875 -0.814 1
1 715 . 7 1 1 A 68 68 TYR HA H 68 4.531 4.418 0.113 1
1 722 . 7 1 1 A 68 68 TYR CA C 68 58.242 59.777 -1.535 1
1 723 . 7 1 1 A 68 68 TYR CB C 68 38.531 39.123 -0.592 1
1 728 . 7 1 1 A 68 68 TYR N N 68 120.592 124.063 -3.471 1
1 729 . 7 1 1 A 69 69 HIS HA H 69 4.643 5.699 -1.056 1
1 734 . 7 1 1 A 69 69 HIS C C 69 173.158 175.635 -2.477 1
1 735 . 7 1 1 A 69 69 HIS CA C 69 51.310 53.373 -2.063 1
1 736 . 7 1 1 A 69 69 HIS CB C 69 32.038 32.866 -0.828 1
1 739 . 7 1 1 A 70 70 GLU H H 70 8.796 9.144 -0.348 1
1 740 . 7 1 1 A 70 70 GLU HA H 70 4.238 4.577 -0.339 1
1 745 . 7 1 1 A 70 70 GLU C C 70 178.838 176.797 2.041 1
1 746 . 7 1 1 A 70 70 GLU CA C 70 55.450 56.895 -1.445 1
1 747 . 7 1 1 A 70 70 GLU CB C 70 30.527 29.929 0.598 1
1 749 . 7 1 1 A 70 70 GLU N N 70 120.194 119.933 0.261 1
1 750 . 7 1 1 A 71 71 GLY H H 71 8.876 7.850 1.026 1
1 751 . 7 1 1 A 71 71 GLY HA2 H 71 4.082 3.995 0.087 1
1 752 . 7 1 1 A 71 71 GLY HA3 H 71 3.910 4.030 -0.120 1
1 753 . 7 1 1 A 71 71 GLY C C 71 173.634 172.612 1.022 1
1 754 . 7 1 1 A 71 71 GLY CA C 71 45.615 45.085 0.530 1
1 755 . 7 1 1 A 71 71 GLY N N 71 111.118 108.690 2.428 1
1 756 . 7 1 1 A 72 72 GLU H H 72 8.391 7.604 0.787 1
1 757 . 7 1 1 A 72 72 GLU HA H 72 4.360 4.379 -0.019 1
1 762 . 7 1 1 A 72 72 GLU C C 72 177.319 175.463 1.856 1
1 763 . 7 1 1 A 72 72 GLU CA C 72 56.571 55.083 1.488 1
1 764 . 7 1 1 A 72 72 GLU CB C 72 30.411 33.359 -2.948 1
1 766 . 7 1 1 A 72 72 GLU N N 72 118.939 118.447 0.492 1
1 767 . 7 1 1 A 73 73 CYS H H 73 8.574 8.721 -0.147 1
1 768 . 7 1 1 A 73 73 CYS HA H 73 3.770 4.313 -0.543 1
1 771 . 7 1 1 A 73 73 CYS C C 73 176.052 177.135 -1.083 1
1 772 . 7 1 1 A 73 73 CYS CA C 73 60.416 62.404 -1.988 1
1 773 . 7 1 1 A 73 73 CYS CB C 73 30.793 26.862 3.931 1
1 774 . 7 1 1 A 73 73 CYS N N 73 123.479 120.757 2.722 1
1 775 . 7 1 1 A 74 74 SER H H 74 8.541 8.032 0.509 1
1 776 . 7 1 1 A 74 74 SER HA H 74 4.288 4.110 0.178 1
1 779 . 7 1 1 A 74 74 SER C C 74 174.140 176.412 -2.272 1
1 780 . 7 1 1 A 74 74 SER CA C 74 58.591 61.453 -2.862 1
1 781 . 7 1 1 A 74 74 SER CB C 74 63.626 63.036 0.590 1
1 782 . 7 1 1 A 74 74 SER N N 74 117.297 115.709 1.588 1
1 783 . 7 1 1 A 75 75 ALA H H 75 8.092 7.477 0.615 1
1 784 . 7 1 1 A 75 75 ALA HA H 75 4.312 4.330 -0.018 1
1 788 . 7 1 1 A 75 75 ALA C C 75 177.173 177.503 -0.330 1
1 789 . 7 1 1 A 75 75 ALA CA C 75 52.403 51.880 0.523 1
1 790 . 7 1 1 A 75 75 ALA CB C 75 19.546 18.573 0.973 1
1 791 . 7 1 1 A 75 75 ALA N N 75 125.952 120.656 5.296 1
1 792 . 7 1 1 A 76 76 VAL H H 76 7.934 7.389 0.545 1
1 793 . 7 1 1 A 76 76 VAL HA H 76 4.028 3.964 0.064 1
1 801 . 7 1 1 A 76 76 VAL C C 76 175.784 177.230 -1.446 1
1 802 . 7 1 1 A 76 76 VAL CA C 76 62.265 64.576 -2.311 1
1 803 . 7 1 1 A 76 76 VAL CB C 76 32.893 31.952 0.941 1
1 806 . 7 1 1 A 76 76 VAL N N 76 118.959 119.325 -0.366 1
1 807 . 7 1 1 A 77 77 PHE H H 77 8.283 9.109 -0.826 1
1 808 . 7 1 1 A 77 77 PHE HA H 77 4.670 4.213 0.457 1
1 813 . 7 1 1 A 77 77 PHE C C 77 175.335 176.087 -0.752 1
1 814 . 7 1 1 A 77 77 PHE CA C 77 57.588 58.555 -0.967 1
1 815 . 7 1 1 A 77 77 PHE CB C 77 39.899 37.467 2.432 1
1 818 . 7 1 1 A 77 77 PHE N N 77 124.298 125.403 -1.105 1
1 819 . 7 1 1 A 78 78 GLU H H 78 8.262 7.945 0.317 1
1 820 . 7 1 1 A 78 78 GLU HA H 78 4.251 3.891 0.360 1
1 825 . 7 1 1 A 78 78 GLU C C 78 175.451 177.442 -1.991 1
1 826 . 7 1 1 A 78 78 GLU CA C 78 56.179 59.285 -3.106 1
1 827 . 7 1 1 A 78 78 GLU CB C 78 30.676 29.383 1.293 1
1 829 . 7 1 1 A 78 78 GLU N N 78 123.482 120.136 3.346 1
1 830 . 7 1 1 A 79 79 ALA H H 79 8.279 7.404 0.875 1
1 831 . 7 1 1 A 79 79 ALA HA H 79 4.341 4.184 0.157 1
1 835 . 7 1 1 A 79 79 ALA C C 79 176.767 176.784 -0.017 1
1 836 . 7 1 1 A 79 79 ALA CA C 79 52.512 52.370 0.142 1
1 837 . 7 1 1 A 79 79 ALA CB C 79 19.493 19.312 0.181 1
1 838 . 7 1 1 A 79 79 ALA N N 79 126.363 121.625 4.738 1
1 6 . 8 1 1 A 2 2 HIS H H 2 7.929 8.886 -0.957 1
1 9 . 8 1 1 A 2 2 HIS CB C 2 31.017 27.158 3.859 1
1 12 . 8 1 1 A 2 2 HIS N N 2 118.946 118.025 0.921 1
1 13 . 8 1 1 A 3 3 MET HA H 3 4.537 4.728 -0.191 1
1 16 . 8 1 1 A 3 3 MET C C 3 176.240 176.960 -0.720 1
1 17 . 8 1 1 A 3 3 MET CA C 3 55.681 54.436 1.245 1
1 18 . 8 1 1 A 3 3 MET CB C 3 33.063 33.958 -0.895 1
1 20 . 8 1 1 A 4 4 GLY H H 4 8.155 8.746 -0.591 1
1 21 . 8 1 1 A 4 4 GLY HA2 H 4 4.031 3.962 0.069 1
1 22 . 8 1 1 A 4 4 GLY HA3 H 4 4.031 3.982 0.049 1
1 23 . 8 1 1 A 4 4 GLY C C 4 174.348 174.565 -0.217 1
1 24 . 8 1 1 A 4 4 GLY CA C 4 45.418 45.946 -0.528 1
1 25 . 8 1 1 A 4 4 GLY N N 4 108.673 112.737 -4.064 1
1 26 . 8 1 1 A 5 5 GLU H H 5 8.351 8.131 0.220 1
1 27 . 8 1 1 A 5 5 GLU HA H 5 4.275 4.306 -0.031 1
1 32 . 8 1 1 A 5 5 GLU C C 5 177.037 176.414 0.623 1
1 33 . 8 1 1 A 5 5 GLU CA C 5 57.098 56.651 0.447 1
1 34 . 8 1 1 A 5 5 GLU CB C 5 30.282 31.324 -1.042 1
1 36 . 8 1 1 A 5 5 GLU N N 5 120.605 117.295 3.310 1
1 37 . 8 1 1 A 6 6 GLU H H 6 8.641 7.824 0.817 1
1 38 . 8 1 1 A 6 6 GLU HA H 6 4.248 4.350 -0.102 1
1 43 . 8 1 1 A 6 6 GLU C C 6 176.799 176.108 0.691 1
1 44 . 8 1 1 A 6 6 GLU CA C 6 57.344 56.885 0.459 1
1 45 . 8 1 1 A 6 6 GLU CB C 6 29.842 30.534 -0.692 1
1 47 . 8 1 1 A 6 6 GLU N N 6 121.425 118.710 2.715 1
1 48 . 8 1 1 A 7 7 GLN H H 7 8.304 8.500 -0.196 1
1 53 . 8 1 1 A 7 7 GLN C C 7 175.537 175.772 -0.235 1
1 54 . 8 1 1 A 7 7 GLN CA C 7 56.292 54.757 1.535 1
1 55 . 8 1 1 A 7 7 GLN CB C 7 29.164 30.463 -1.299 1
1 57 . 8 1 1 A 7 7 GLN N N 7 120.185 121.518 -1.333 1
1 59 . 8 1 1 A 8 8 TYR H H 8 8.221 8.603 -0.382 1
1 60 . 8 1 1 A 8 8 TYR HA H 8 4.606 4.651 -0.045 1
1 67 . 8 1 1 A 8 8 TYR C C 8 175.728 176.045 -0.317 1
1 68 . 8 1 1 A 8 8 TYR CA C 8 58.138 58.227 -0.089 1
1 69 . 8 1 1 A 8 8 TYR CB C 8 38.766 38.814 -0.048 1
1 70 . 8 1 1 A 8 8 TYR N N 8 120.918 120.698 0.220 1
1 71 . 8 1 1 A 9 9 ASN H H 9 8.288 8.769 -0.481 1
1 72 . 8 1 1 A 9 9 ASN HA H 9 4.654 5.266 -0.612 1
1 77 . 8 1 1 A 9 9 ASN C C 9 175.439 174.713 0.726 1
1 78 . 8 1 1 A 9 9 ASN CA C 9 53.435 53.166 0.269 1
1 79 . 8 1 1 A 9 9 ASN CB C 9 38.790 40.390 -1.600 1
1 80 . 8 1 1 A 9 9 ASN N N 9 120.180 119.861 0.319 1
1 82 . 8 1 1 A 10 10 ARG H H 10 8.128 8.686 -0.558 1
1 83 . 8 1 1 A 10 10 ARG HA H 10 4.171 4.659 -0.488 1
1 90 . 8 1 1 A 10 10 ARG C C 10 176.244 175.187 1.057 1
1 91 . 8 1 1 A 10 10 ARG CA C 10 57.023 53.708 3.315 1
1 92 . 8 1 1 A 10 10 ARG CB C 10 30.535 34.392 -3.857 1
1 95 . 8 1 1 A 10 10 ARG N N 10 121.014 121.578 -0.564 1
1 96 . 8 1 1 A 11 11 TYR H H 11 8.108 7.907 0.201 1
1 97 . 8 1 1 A 11 11 TYR HA H 11 4.543 4.692 -0.149 1
1 104 . 8 1 1 A 11 11 TYR C C 11 175.929 174.345 1.584 1
1 105 . 8 1 1 A 11 11 TYR CA C 11 58.219 57.739 0.480 1
1 106 . 8 1 1 A 11 11 TYR CB C 11 38.365 39.720 -1.355 1
1 107 . 8 1 1 A 11 11 TYR N N 11 119.776 120.116 -0.340 1
1 108 . 8 1 1 A 12 12 GLN H H 12 8.050 8.772 -0.722 1
1 109 . 8 1 1 A 12 12 GLN HA H 12 4.269 5.209 -0.940 1
1 116 . 8 1 1 A 12 12 GLN C C 12 175.917 174.801 1.116 1
1 117 . 8 1 1 A 12 12 GLN CA C 12 56.240 54.490 1.750 1
1 118 . 8 1 1 A 12 12 GLN CB C 12 29.463 31.890 -2.427 1
1 120 . 8 1 1 A 12 12 GLN N N 12 120.992 121.202 -0.210 1
1 122 . 8 1 1 A 13 13 GLN H H 13 8.065 8.903 -0.838 1
1 123 . 8 1 1 A 13 13 GLN HA H 13 4.202 5.283 -1.081 1
1 130 . 8 1 1 A 13 13 GLN C C 13 175.644 173.575 2.069 1
1 131 . 8 1 1 A 13 13 GLN CA C 13 56.242 54.657 1.585 1
1 132 . 8 1 1 A 13 13 GLN CB C 13 29.394 32.901 -3.507 1
1 134 . 8 1 1 A 13 13 GLN N N 13 120.539 124.015 -3.476 1
1 136 . 8 1 1 A 14 14 TYR H H 14 8.212 8.702 -0.490 1
1 137 . 8 1 1 A 14 14 TYR HA H 14 4.572 4.826 -0.254 1
1 144 . 8 1 1 A 14 14 TYR C C 14 176.382 174.126 2.256 1
1 145 . 8 1 1 A 14 14 TYR CA C 14 57.958 57.778 0.180 1
1 146 . 8 1 1 A 14 14 TYR CB C 14 38.983 41.707 -2.724 1
1 151 . 8 1 1 A 14 14 TYR N N 14 120.582 119.137 1.445 1
1 152 . 8 1 1 A 15 15 GLY H H 15 8.405 8.445 -0.040 1
1 153 . 8 1 1 A 15 15 GLY HA2 H 15 3.933 4.125 -0.192 1
1 154 . 8 1 1 A 15 15 GLY HA3 H 15 3.933 4.197 -0.264 1
1 155 . 8 1 1 A 15 15 GLY C C 15 173.776 172.102 1.674 1
1 156 . 8 1 1 A 15 15 GLY CA C 15 45.407 46.074 -0.667 1
1 157 . 8 1 1 A 15 15 GLY N N 15 110.724 108.665 2.059 1
1 158 . 8 1 1 A 16 16 ALA H H 16 8.160 8.520 -0.360 1
1 159 . 8 1 1 A 16 16 ALA HA H 16 4.302 4.891 -0.589 1
1 163 . 8 1 1 A 16 16 ALA C C 16 178.147 177.940 0.207 1
1 164 . 8 1 1 A 16 16 ALA CA C 16 53.034 51.240 1.794 1
1 165 . 8 1 1 A 16 16 ALA CB C 16 19.392 22.318 -2.926 1
1 166 . 8 1 1 A 16 16 ALA N N 16 123.489 125.367 -1.878 1
1 167 . 8 1 1 A 17 17 GLU H H 17 8.612 9.103 -0.491 1
1 168 . 8 1 1 A 17 17 GLU HA H 17 4.169 3.992 0.177 1
1 173 . 8 1 1 A 17 17 GLU C C 17 177.000 176.706 0.294 1
1 174 . 8 1 1 A 17 17 GLU CA C 17 57.837 59.850 -2.013 1
1 175 . 8 1 1 A 17 17 GLU CB C 17 29.881 29.375 0.506 1
1 177 . 8 1 1 A 17 17 GLU N N 17 119.373 124.214 -4.841 1
1 178 . 8 1 1 A 18 18 GLU H H 18 8.413 8.188 0.225 1
1 179 . 8 1 1 A 18 18 GLU HA H 18 4.210 3.957 0.253 1
1 184 . 8 1 1 A 18 18 GLU C C 18 177.015 175.727 1.288 1
1 185 . 8 1 1 A 18 18 GLU CA C 18 57.641 57.466 0.175 1
1 186 . 8 1 1 A 18 18 GLU CB C 18 29.980 28.343 1.637 1
1 188 . 8 1 1 A 18 18 GLU N N 18 120.184 119.201 0.983 1
1 189 . 8 1 1 A 19 19 CYS H H 19 8.253 7.852 0.401 1
1 190 . 8 1 1 A 19 19 CYS HA H 19 4.381 4.876 -0.495 1
1 193 . 8 1 1 A 19 19 CYS C C 19 175.552 174.630 0.922 1
1 194 . 8 1 1 A 19 19 CYS CA C 19 59.819 57.292 2.527 1
1 195 . 8 1 1 A 19 19 CYS CB C 19 27.554 30.073 -2.519 1
1 196 . 8 1 1 A 19 19 CYS N N 19 119.775 118.369 1.406 1
1 197 . 8 1 1 A 20 20 VAL H H 20 8.051 8.819 -0.768 1
1 198 . 8 1 1 A 20 20 VAL HA H 20 3.939 3.844 0.095 1
1 206 . 8 1 1 A 20 20 VAL C C 20 173.904 175.573 -1.669 1
1 207 . 8 1 1 A 20 20 VAL CA C 20 64.113 63.220 0.893 1
1 208 . 8 1 1 A 20 20 VAL CB C 20 32.316 29.655 2.661 1
1 211 . 8 1 1 A 20 20 VAL N N 20 121.008 125.423 -4.415 1
1 212 . 8 1 1 A 21 21 LEU H H 21 8.190 8.001 0.189 1
1 213 . 8 1 1 A 21 21 LEU HA H 21 4.648 4.139 0.509 1
1 222 . 8 1 1 A 21 21 LEU CA C 21 54.565 56.561 -1.996 1
1 223 . 8 1 1 A 21 21 LEU CB C 21 41.542 42.641 -1.099 1
1 225 . 8 1 1 A 21 21 LEU N N 21 123.470 121.079 2.391 1
1 226 . 8 1 1 A 22 22 GLN H H 22 8.322 7.569 0.753 1
1 227 . 8 1 1 A 22 22 GLN HA H 22 4.046 4.526 -0.480 1
1 230 . 8 1 1 A 22 22 GLN C C 22 176.428 176.159 0.269 1
1 231 . 8 1 1 A 22 22 GLN CA C 22 56.800 53.977 2.823 1
1 232 . 8 1 1 A 22 22 GLN CB C 22 29.116 32.989 -3.873 1
1 234 . 8 1 1 A 22 22 GLN N N 22 120.999 115.993 5.006 1
1 236 . 8 1 1 A 23 23 MET H H 23 7.958 8.647 -0.689 1
1 237 . 8 1 1 A 23 23 MET HA H 23 4.487 4.521 -0.034 1
1 245 . 8 1 1 A 23 23 MET C C 23 176.558 176.190 0.368 1
1 246 . 8 1 1 A 23 23 MET CA C 23 55.842 56.378 -0.536 1
1 247 . 8 1 1 A 23 23 MET CB C 23 32.712 31.952 0.760 1
1 250 . 8 1 1 A 23 23 MET N N 23 118.950 118.776 0.174 1
1 251 . 8 1 1 A 24 24 GLY H H 24 8.549 7.789 0.760 1
1 252 . 8 1 1 A 24 24 GLY HA2 H 24 4.163 4.102 0.061 1
1 253 . 8 1 1 A 24 24 GLY HA3 H 24 3.919 4.125 -0.206 1
1 254 . 8 1 1 A 24 24 GLY C C 24 174.799 175.268 -0.469 1
1 255 . 8 1 1 A 24 24 GLY CA C 24 45.547 44.656 0.891 1
1 256 . 8 1 1 A 24 24 GLY N N 24 110.724 109.038 1.686 1
1 257 . 8 1 1 A 25 25 GLY H H 25 8.216 8.787 -0.571 1
1 258 . 8 1 1 A 25 25 GLY HA2 H 25 4.455 3.906 0.549 1
1 259 . 8 1 1 A 25 25 GLY HA3 H 25 3.921 3.914 0.007 1
1 260 . 8 1 1 A 25 25 GLY C C 25 172.658 174.455 -1.797 1
1 261 . 8 1 1 A 25 25 GLY CA C 25 45.087 46.926 -1.839 1
1 262 . 8 1 1 A 25 25 GLY N N 25 107.443 113.385 -5.942 1
1 263 . 8 1 1 A 26 26 VAL H H 26 8.726 7.760 0.966 1
1 264 . 8 1 1 A 26 26 VAL HA H 26 4.533 4.500 0.033 1
1 272 . 8 1 1 A 26 26 VAL C C 26 172.923 175.124 -2.201 1
1 273 . 8 1 1 A 26 26 VAL CA C 26 59.864 60.743 -0.879 1
1 274 . 8 1 1 A 26 26 VAL CB C 26 35.551 33.356 2.195 1
1 277 . 8 1 1 A 26 26 VAL N N 26 116.467 120.571 -4.104 1
1 278 . 8 1 1 A 27 27 LEU H H 27 8.201 8.691 -0.490 1
1 279 . 8 1 1 A 27 27 LEU HA H 27 5.057 4.946 0.111 1
1 289 . 8 1 1 A 27 27 LEU C C 27 176.746 175.182 1.564 1
1 290 . 8 1 1 A 27 27 LEU CA C 27 53.134 53.045 0.089 1
1 291 . 8 1 1 A 27 27 LEU CB C 27 42.926 45.792 -2.866 1
1 294 . 8 1 1 A 27 27 LEU N N 27 124.428 123.637 0.791 1
1 295 . 8 1 1 A 28 28 CYS H H 28 8.902 8.506 0.396 1
1 296 . 8 1 1 A 28 28 CYS HA H 28 4.158 4.386 -0.228 1
1 299 . 8 1 1 A 28 28 CYS CA C 28 57.728 57.605 0.123 1
1 300 . 8 1 1 A 28 28 CYS CB C 28 32.175 28.166 4.009 1
1 301 . 8 1 1 A 28 28 CYS N N 28 127.173 120.541 6.632 1
1 302 . 8 1 1 A 29 29 PRO HA H 29 4.410 4.436 -0.026 1
1 309 . 8 1 1 A 29 29 PRO C C 29 177.459 176.301 1.158 1
1 310 . 8 1 1 A 29 29 PRO CA C 29 62.872 64.273 -1.401 1
1 311 . 8 1 1 A 29 29 PRO CB C 29 32.813 31.657 1.156 1
1 314 . 8 1 1 A 30 30 ARG H H 30 9.132 7.758 1.374 1
1 315 . 8 1 1 A 30 30 ARG HA H 30 4.087 4.424 -0.337 1
1 322 . 8 1 1 A 30 30 ARG CA C 30 55.102 54.380 0.722 1
1 323 . 8 1 1 A 30 30 ARG CB C 30 29.469 29.897 -0.428 1
1 326 . 8 1 1 A 30 30 ARG N N 30 127.589 120.416 7.173 1
1 327 . 8 1 1 A 31 31 PRO HA H 31 4.242 4.281 -0.039 1
1 334 . 8 1 1 A 31 31 PRO C C 31 177.828 177.523 0.305 1
1 335 . 8 1 1 A 31 31 PRO CA C 31 64.202 63.744 0.458 1
1 336 . 8 1 1 A 31 31 PRO CB C 31 31.518 31.274 0.244 1
1 339 . 8 1 1 A 32 32 GLY H H 32 8.773 8.787 -0.014 1
1 340 . 8 1 1 A 32 32 GLY HA2 H 32 4.065 3.903 0.162 1
1 341 . 8 1 1 A 32 32 GLY HA3 H 32 3.706 3.903 -0.197 1
1 342 . 8 1 1 A 32 32 GLY C C 32 173.340 175.028 -1.688 1
1 343 . 8 1 1 A 32 32 GLY CA C 32 45.272 45.415 -0.143 1
1 344 . 8 1 1 A 32 32 GLY N N 32 111.942 112.200 -0.258 1
1 345 . 8 1 1 A 33 33 CYS H H 33 7.749 8.175 -0.426 1
1 346 . 8 1 1 A 33 33 CYS HA H 33 4.528 4.119 0.409 1
1 349 . 8 1 1 A 33 33 CYS CA C 33 60.515 62.121 -1.606 1
1 350 . 8 1 1 A 33 33 CYS CB C 33 29.641 27.001 2.640 1
1 351 . 8 1 1 A 33 33 CYS N N 33 123.343 120.983 2.360 1
1 352 . 8 1 1 A 34 34 GLY H H 34 8.351 7.540 0.811 1
1 353 . 8 1 1 A 34 34 GLY HA2 H 34 4.120 3.856 0.264 1
1 354 . 8 1 1 A 34 34 GLY HA3 H 34 3.911 3.868 0.043 1
1 355 . 8 1 1 A 34 34 GLY C C 34 173.849 175.170 -1.321 1
1 356 . 8 1 1 A 34 34 GLY CA C 34 46.225 47.121 -0.896 1
1 357 . 8 1 1 A 34 34 GLY N N 34 106.570 108.037 -1.467 1
1 358 . 8 1 1 A 35 35 ALA H H 35 8.591 8.084 0.507 1
1 359 . 8 1 1 A 35 35 ALA HA H 35 4.091 4.005 0.086 1
1 363 . 8 1 1 A 35 35 ALA C C 35 176.818 178.362 -1.544 1
1 364 . 8 1 1 A 35 35 ALA CA C 35 53.757 55.440 -1.683 1
1 365 . 8 1 1 A 35 35 ALA CB C 35 20.271 18.606 1.665 1
1 366 . 8 1 1 A 35 35 ALA N N 35 125.109 123.308 1.801 1
1 367 . 8 1 1 A 36 36 GLY H H 36 8.348 8.074 0.274 1
1 368 . 8 1 1 A 36 36 GLY HA2 H 36 4.412 3.876 0.536 1
1 369 . 8 1 1 A 36 36 GLY HA3 H 36 3.479 3.880 -0.401 1
1 370 . 8 1 1 A 36 36 GLY C C 36 177.324 173.490 3.834 1
1 371 . 8 1 1 A 36 36 GLY CA C 36 45.847 47.068 -1.221 1
1 372 . 8 1 1 A 36 36 GLY N N 36 106.607 107.109 -0.502 1
1 373 . 8 1 1 A 37 37 LEU H H 37 8.190 7.691 0.499 1
1 374 . 8 1 1 A 37 37 LEU HA H 37 4.753 5.032 -0.279 1
1 384 . 8 1 1 A 37 37 LEU C C 37 177.064 175.471 1.593 1
1 385 . 8 1 1 A 37 37 LEU CB C 37 44.730 45.060 -0.330 1
1 389 . 8 1 1 A 37 37 LEU N N 37 123.541 115.366 8.175 1
1 390 . 8 1 1 A 38 38 LEU H H 38 8.210 8.685 -0.475 1
1 391 . 8 1 1 A 38 38 LEU HA H 38 4.981 4.515 0.466 1
1 401 . 8 1 1 A 38 38 LEU CA C 38 51.755 53.355 -1.600 1
1 402 . 8 1 1 A 38 38 LEU CB C 38 42.309 42.528 -0.219 1
1 405 . 8 1 1 A 38 38 LEU N N 38 124.280 124.763 -0.483 1
1 406 . 8 1 1 A 39 39 PRO HA H 39 4.600 4.619 -0.019 1
1 413 . 8 1 1 A 39 39 PRO C C 39 176.647 176.295 0.352 1
1 414 . 8 1 1 A 39 39 PRO CA C 39 62.130 62.150 -0.020 1
1 415 . 8 1 1 A 39 39 PRO CB C 39 32.686 32.765 -0.079 1
1 418 . 8 1 1 A 40 40 GLU H H 40 8.631 8.588 0.043 1
1 419 . 8 1 1 A 40 40 GLU HA H 40 4.485 4.411 0.074 1
1 424 . 8 1 1 A 40 40 GLU CA C 40 55.067 54.975 0.092 1
1 425 . 8 1 1 A 40 40 GLU CB C 40 29.310 29.015 0.295 1
1 426 . 8 1 1 A 40 40 GLU N N 40 122.240 120.330 1.910 1
1 427 . 8 1 1 A 41 41 PRO HA H 41 3.869 4.471 -0.602 1
1 434 . 8 1 1 A 41 41 PRO C C 41 176.908 174.753 2.155 1
1 435 . 8 1 1 A 41 41 PRO CA C 41 64.772 63.924 0.848 1
1 436 . 8 1 1 A 41 41 PRO CB C 41 32.172 31.357 0.815 1
1 439 . 8 1 1 A 42 42 ASP H H 42 8.486 7.881 0.605 1
1 440 . 8 1 1 A 42 42 ASP HA H 42 4.456 4.959 -0.503 1
1 443 . 8 1 1 A 42 42 ASP C C 42 175.265 175.934 -0.669 1
1 444 . 8 1 1 A 42 42 ASP CA C 42 54.480 52.520 1.960 1
1 445 . 8 1 1 A 42 42 ASP CB C 42 40.139 41.957 -1.818 1
1 446 . 8 1 1 A 42 42 ASP N N 42 114.895 115.814 -0.919 1
1 447 . 8 1 1 A 43 43 GLN H H 43 7.280 8.811 -1.531 1
1 448 . 8 1 1 A 43 43 GLN HA H 43 4.420 4.022 0.398 1
1 455 . 8 1 1 A 43 43 GLN CA C 43 54.877 58.116 -3.239 1
1 456 . 8 1 1 A 43 43 GLN CB C 43 30.219 28.033 2.186 1
1 458 . 8 1 1 A 43 43 GLN N N 43 118.523 122.231 -3.708 1
1 460 . 8 1 1 A 44 44 ARG H H 44 8.207 7.507 0.700 1
1 461 . 8 1 1 A 44 44 ARG HA H 44 4.206 4.114 0.092 1
1 468 . 8 1 1 A 44 44 ARG C C 44 175.581 176.503 -0.922 1
1 469 . 8 1 1 A 44 44 ARG CA C 44 58.285 59.105 -0.820 1
1 470 . 8 1 1 A 44 44 ARG CB C 44 32.175 30.232 1.943 1
1 473 . 8 1 1 A 44 44 ARG N N 44 120.127 119.316 0.811 1
1 474 . 8 1 1 A 45 45 LYS H H 45 7.909 7.182 0.727 1
1 475 . 8 1 1 A 45 45 LYS HA H 45 3.985 4.623 -0.638 1
1 484 . 8 1 1 A 45 45 LYS C C 45 174.753 174.260 0.493 1
1 485 . 8 1 1 A 45 45 LYS CA C 45 56.378 55.703 0.675 1
1 486 . 8 1 1 A 45 45 LYS CB C 45 32.190 35.829 -3.639 1
1 490 . 8 1 1 A 45 45 LYS N N 45 118.935 119.209 -0.274 1
1 491 . 8 1 1 A 46 46 VAL H H 46 8.574 8.572 0.002 1
1 492 . 8 1 1 A 46 46 VAL HA H 46 3.870 4.701 -0.831 1
1 500 . 8 1 1 A 46 46 VAL C C 46 173.589 173.798 -0.209 1
1 501 . 8 1 1 A 46 46 VAL CA C 46 60.777 59.522 1.255 1
1 502 . 8 1 1 A 46 46 VAL CB C 46 32.263 34.925 -2.662 1
1 505 . 8 1 1 A 46 46 VAL N N 46 130.468 119.940 10.528 1
1 506 . 8 1 1 A 47 47 THR H H 47 8.098 8.778 -0.680 1
1 507 . 8 1 1 A 47 47 THR HA H 47 4.864 4.555 0.309 1
1 512 . 8 1 1 A 47 47 THR C C 47 173.666 175.804 -2.138 1
1 513 . 8 1 1 A 47 47 THR CA C 47 61.070 61.941 -0.871 1
1 514 . 8 1 1 A 47 47 THR CB C 47 69.693 69.608 0.085 1
1 516 . 8 1 1 A 47 47 THR N N 47 120.392 121.066 -0.674 1
1 517 . 8 1 1 A 48 48 CYS H H 48 8.928 9.089 -0.161 1
1 518 . 8 1 1 A 48 48 CYS HA H 48 4.581 4.539 0.042 1
1 521 . 8 1 1 A 48 48 CYS C C 48 174.212 174.854 -0.642 1
1 522 . 8 1 1 A 48 48 CYS CA C 48 59.848 60.840 -0.992 1
1 523 . 8 1 1 A 48 48 CYS CB C 48 29.425 27.422 2.003 1
1 524 . 8 1 1 A 48 48 CYS N N 48 130.472 124.620 5.852 1
1 525 . 8 1 1 A 49 49 GLU H H 49 7.552 7.892 -0.340 1
1 526 . 8 1 1 A 49 49 GLU HA H 49 4.647 4.408 0.239 1
1 531 . 8 1 1 A 49 49 GLU C C 49 175.297 176.019 -0.722 1
1 532 . 8 1 1 A 49 49 GLU CA C 49 55.852 56.475 -0.623 1
1 533 . 8 1 1 A 49 49 GLU CB C 49 31.404 30.359 1.045 1
1 535 . 8 1 1 A 49 49 GLU N N 49 128.705 121.872 6.833 1
1 536 . 8 1 1 A 50 50 GLY H H 50 8.459 8.475 -0.016 1
1 537 . 8 1 1 A 50 50 GLY HA2 H 50 4.128 4.025 0.103 1
1 538 . 8 1 1 A 50 50 GLY HA3 H 50 3.916 4.029 -0.113 1
1 539 . 8 1 1 A 50 50 GLY C C 50 174.247 174.457 -0.210 1
1 540 . 8 1 1 A 50 50 GLY CA C 50 45.243 46.016 -0.773 1
1 541 . 8 1 1 A 50 50 GLY N N 50 109.953 113.157 -3.204 1
1 542 . 8 1 1 A 51 51 GLY H H 51 8.548 8.019 0.529 1
1 543 . 8 1 1 A 51 51 GLY HA2 H 51 3.991 4.101 -0.110 1
1 544 . 8 1 1 A 51 51 GLY HA3 H 51 3.991 4.101 -0.110 1
1 545 . 8 1 1 A 51 51 GLY C C 51 174.381 172.545 1.836 1
1 546 . 8 1 1 A 51 51 GLY CA C 51 45.714 45.669 0.045 1
1 547 . 8 1 1 A 51 51 GLY N N 51 109.074 106.834 2.240 1
1 548 . 8 1 1 A 52 52 ASN H H 52 8.740 7.833 0.907 1
1 549 . 8 1 1 A 52 52 ASN HA H 52 4.566 5.009 -0.443 1
1 554 . 8 1 1 A 52 52 ASN C C 52 175.686 175.450 0.236 1
1 555 . 8 1 1 A 52 52 ASN CA C 52 53.618 52.461 1.157 1
1 556 . 8 1 1 A 52 52 ASN CB C 52 38.009 42.227 -4.218 1
1 557 . 8 1 1 A 52 52 ASN N N 52 118.415 117.971 0.444 1
1 559 . 8 1 1 A 53 53 GLY H H 53 8.367 9.199 -0.832 1
1 560 . 8 1 1 A 53 53 GLY HA2 H 53 4.101 3.819 0.282 1
1 561 . 8 1 1 A 53 53 GLY HA3 H 53 3.808 3.821 -0.013 1
1 562 . 8 1 1 A 53 53 GLY C C 53 174.323 175.715 -1.392 1
1 563 . 8 1 1 A 53 53 GLY CA C 53 45.675 47.292 -1.617 1
1 564 . 8 1 1 A 53 53 GLY N N 53 107.419 110.975 -3.556 1
1 565 . 8 1 1 A 54 54 LEU H H 54 7.703 8.151 -0.448 1
1 566 . 8 1 1 A 54 54 LEU HA H 54 4.405 4.059 0.346 1
1 576 . 8 1 1 A 54 54 LEU C C 54 177.359 178.408 -1.049 1
1 577 . 8 1 1 A 54 54 LEU CA C 54 55.162 57.965 -2.803 1
1 578 . 8 1 1 A 54 54 LEU CB C 54 42.742 41.489 1.253 1
1 582 . 8 1 1 A 54 54 LEU N N 54 121.020 123.144 -2.124 1
1 583 . 8 1 1 A 55 55 GLY H H 55 8.265 8.311 -0.046 1
1 584 . 8 1 1 A 55 55 GLY HA2 H 55 4.112 3.781 0.331 1
1 585 . 8 1 1 A 55 55 GLY HA3 H 55 4.112 3.792 0.320 1
1 586 . 8 1 1 A 55 55 GLY C C 55 174.453 174.909 -0.456 1
1 587 . 8 1 1 A 55 55 GLY CA C 55 45.438 46.844 -1.406 1
1 588 . 8 1 1 A 55 55 GLY N N 55 109.910 105.863 4.047 1
1 589 . 8 1 1 A 56 56 CYS H H 56 10.071 8.400 1.671 1
1 590 . 8 1 1 A 56 56 CYS HA H 56 4.928 4.259 0.669 1
1 593 . 8 1 1 A 56 56 CYS C C 56 177.993 175.173 2.820 1
1 594 . 8 1 1 A 56 56 CYS CA C 56 59.541 60.937 -1.396 1
1 595 . 8 1 1 A 56 56 CYS CB C 56 32.099 28.148 3.951 1
1 596 . 8 1 1 A 56 56 CYS N N 56 124.504 125.648 -1.144 1
1 597 . 8 1 1 A 57 57 GLY H H 57 9.174 8.108 1.066 1
1 598 . 8 1 1 A 57 57 GLY HA2 H 57 4.313 3.963 0.350 1
1 599 . 8 1 1 A 57 57 GLY HA3 H 57 3.668 3.977 -0.309 1
1 600 . 8 1 1 A 57 57 GLY C C 57 173.686 173.715 -0.029 1
1 601 . 8 1 1 A 57 57 GLY CA C 57 45.860 45.167 0.693 1
1 602 . 8 1 1 A 57 57 GLY N N 57 114.428 108.496 5.932 1
1 603 . 8 1 1 A 58 58 PHE H H 58 9.036 7.885 1.151 1
1 604 . 8 1 1 A 58 58 PHE HA H 58 4.623 4.792 -0.169 1
1 611 . 8 1 1 A 58 58 PHE C C 58 173.896 174.720 -0.824 1
1 612 . 8 1 1 A 58 58 PHE CA C 58 58.969 56.127 2.842 1
1 613 . 8 1 1 A 58 58 PHE CB C 58 41.132 40.742 0.390 1
1 614 . 8 1 1 A 58 58 PHE N N 58 125.130 121.420 3.710 1
1 615 . 8 1 1 A 59 59 ALA H H 59 7.570 8.325 -0.755 1
1 616 . 8 1 1 A 59 59 ALA HA H 59 5.486 4.894 0.592 1
1 620 . 8 1 1 A 59 59 ALA C C 59 176.469 177.637 -1.168 1
1 621 . 8 1 1 A 59 59 ALA CA C 59 49.817 52.257 -2.440 1
1 622 . 8 1 1 A 59 59 ALA CB C 59 19.826 19.474 0.352 1
1 623 . 8 1 1 A 59 59 ALA N N 59 128.638 129.853 -1.215 1
1 624 . 8 1 1 A 60 60 PHE H H 60 9.387 8.289 1.098 1
1 625 . 8 1 1 A 60 60 PHE HA H 60 5.204 5.774 -0.570 1
1 632 . 8 1 1 A 60 60 PHE C C 60 172.955 172.760 0.195 1
1 633 . 8 1 1 A 60 60 PHE CA C 60 54.353 55.347 -0.994 1
1 634 . 8 1 1 A 60 60 PHE CB C 60 42.246 41.786 0.460 1
1 637 . 8 1 1 A 60 60 PHE N N 60 121.410 116.278 5.132 1
1 638 . 8 1 1 A 61 61 CYS H H 61 8.772 9.007 -0.235 1
1 639 . 8 1 1 A 61 61 CYS HA H 61 4.754 4.725 0.029 1
1 642 . 8 1 1 A 61 61 CYS C C 61 177.353 174.883 2.470 1
1 643 . 8 1 1 A 61 61 CYS CA C 61 58.032 57.469 0.563 1
1 644 . 8 1 1 A 61 61 CYS CB C 61 32.242 28.296 3.946 1
1 645 . 8 1 1 A 61 61 CYS N N 61 120.610 120.680 -0.070 1
1 646 . 8 1 1 A 62 62 ARG H H 62 9.535 8.587 0.948 1
1 647 . 8 1 1 A 62 62 ARG HA H 62 4.027 4.092 -0.065 1
1 654 . 8 1 1 A 62 62 ARG C C 62 175.657 178.188 -2.531 1
1 655 . 8 1 1 A 62 62 ARG CA C 62 59.330 59.916 -0.586 1
1 656 . 8 1 1 A 62 62 ARG CB C 62 31.196 30.049 1.147 1
1 659 . 8 1 1 A 62 62 ARG N N 62 130.041 128.280 1.761 1
1 660 . 8 1 1 A 63 63 GLU H H 63 8.721 8.261 0.460 1
1 661 . 8 1 1 A 63 63 GLU HA H 63 4.394 4.135 0.259 1
1 666 . 8 1 1 A 63 63 GLU C C 63 177.341 178.607 -1.266 1
1 667 . 8 1 1 A 63 63 GLU CA C 63 58.404 60.117 -1.713 1
1 668 . 8 1 1 A 63 63 GLU CB C 63 30.501 29.623 0.878 1
1 670 . 8 1 1 A 63 63 GLU N N 63 118.534 118.719 -0.185 1
1 671 . 8 1 1 A 64 64 CYS H H 64 8.050 7.822 0.228 1
1 672 . 8 1 1 A 64 64 CYS HA H 64 4.962 4.514 0.448 1
1 675 . 8 1 1 A 64 64 CYS C C 64 176.019 175.619 0.400 1
1 676 . 8 1 1 A 64 64 CYS CA C 64 58.858 58.572 0.286 1
1 677 . 8 1 1 A 64 64 CYS CB C 64 32.103 27.340 4.763 1
1 678 . 8 1 1 A 64 64 CYS N N 64 116.495 114.523 1.972 1
1 679 . 8 1 1 A 65 65 LYS H H 65 8.489 8.362 0.127 1
1 680 . 8 1 1 A 65 65 LYS HA H 65 4.191 4.220 -0.029 1
1 687 . 8 1 1 A 65 65 LYS C C 65 174.742 175.391 -0.649 1
1 688 . 8 1 1 A 65 65 LYS CA C 65 58.883 57.297 1.586 1
1 689 . 8 1 1 A 65 65 LYS CB C 65 28.865 30.172 -1.307 1
1 693 . 8 1 1 A 65 65 LYS N N 65 117.320 120.810 -3.490 1
1 694 . 8 1 1 A 66 66 GLU H H 66 8.272 7.472 0.800 1
1 695 . 8 1 1 A 66 66 GLU HA H 66 4.721 4.963 -0.242 1
1 700 . 8 1 1 A 66 66 GLU C C 66 175.422 175.785 -0.363 1
1 701 . 8 1 1 A 66 66 GLU CA C 66 55.285 54.533 0.752 1
1 702 . 8 1 1 A 66 66 GLU CB C 66 31.666 33.118 -1.452 1
1 704 . 8 1 1 A 66 66 GLU N N 66 117.719 119.289 -1.570 1
1 705 . 8 1 1 A 67 67 ALA H H 67 8.766 8.453 0.313 1
1 706 . 8 1 1 A 67 67 ALA HA H 67 4.177 4.573 -0.396 1
1 710 . 8 1 1 A 67 67 ALA C C 67 177.459 177.139 0.320 1
1 711 . 8 1 1 A 67 67 ALA CA C 67 53.019 53.281 -0.262 1
1 712 . 8 1 1 A 67 67 ALA CB C 67 18.548 19.228 -0.680 1
1 713 . 8 1 1 A 67 67 ALA N N 67 120.597 124.481 -3.884 1
1 714 . 8 1 1 A 68 68 TYR H H 68 8.061 9.070 -1.009 1
1 715 . 8 1 1 A 68 68 TYR HA H 68 4.531 4.249 0.282 1
1 722 . 8 1 1 A 68 68 TYR CA C 68 58.242 58.835 -0.593 1
1 723 . 8 1 1 A 68 68 TYR CB C 68 38.531 38.975 -0.444 1
1 728 . 8 1 1 A 68 68 TYR N N 68 120.592 124.420 -3.828 1
1 729 . 8 1 1 A 69 69 HIS HA H 69 4.643 4.677 -0.034 1
1 734 . 8 1 1 A 69 69 HIS C C 69 173.158 175.349 -2.191 1
1 735 . 8 1 1 A 69 69 HIS CA C 69 51.310 57.089 -5.779 1
1 736 . 8 1 1 A 69 69 HIS CB C 69 32.038 30.064 1.974 1
1 739 . 8 1 1 A 70 70 GLU H H 70 8.796 8.304 0.492 1
1 740 . 8 1 1 A 70 70 GLU HA H 70 4.238 4.246 -0.008 1
1 745 . 8 1 1 A 70 70 GLU C C 70 178.838 175.806 3.032 1
1 746 . 8 1 1 A 70 70 GLU CA C 70 55.450 57.557 -2.107 1
1 747 . 8 1 1 A 70 70 GLU CB C 70 30.527 29.038 1.489 1
1 749 . 8 1 1 A 70 70 GLU N N 70 120.194 119.131 1.063 1
1 750 . 8 1 1 A 71 71 GLY H H 71 8.876 8.074 0.802 1
1 751 . 8 1 1 A 71 71 GLY HA2 H 71 4.082 4.134 -0.052 1
1 752 . 8 1 1 A 71 71 GLY HA3 H 71 3.910 4.191 -0.281 1
1 753 . 8 1 1 A 71 71 GLY C C 71 173.634 171.473 2.161 1
1 754 . 8 1 1 A 71 71 GLY CA C 71 45.615 46.100 -0.485 1
1 755 . 8 1 1 A 71 71 GLY N N 71 111.118 105.905 5.213 1
1 756 . 8 1 1 A 72 72 GLU H H 72 8.391 7.755 0.636 1
1 757 . 8 1 1 A 72 72 GLU HA H 72 4.360 4.616 -0.256 1
1 762 . 8 1 1 A 72 72 GLU C C 72 177.319 174.244 3.075 1
1 763 . 8 1 1 A 72 72 GLU CA C 72 56.571 55.383 1.188 1
1 764 . 8 1 1 A 72 72 GLU CB C 72 30.411 33.264 -2.853 1
1 766 . 8 1 1 A 72 72 GLU N N 72 118.939 119.628 -0.689 1
1 767 . 8 1 1 A 73 73 CYS H H 73 8.574 8.617 -0.043 1
1 768 . 8 1 1 A 73 73 CYS HA H 73 3.770 4.607 -0.837 1
1 771 . 8 1 1 A 73 73 CYS C C 73 176.052 174.692 1.360 1
1 772 . 8 1 1 A 73 73 CYS CA C 73 60.416 57.301 3.115 1
1 773 . 8 1 1 A 73 73 CYS CB C 73 30.793 27.460 3.333 1
1 774 . 8 1 1 A 73 73 CYS N N 73 123.479 122.987 0.492 1
1 775 . 8 1 1 A 74 74 SER H H 74 8.541 8.908 -0.367 1
1 776 . 8 1 1 A 74 74 SER HA H 74 4.288 4.614 -0.326 1
1 779 . 8 1 1 A 74 74 SER C C 74 174.140 173.756 0.384 1
1 780 . 8 1 1 A 74 74 SER CA C 74 58.591 58.541 0.050 1
1 781 . 8 1 1 A 74 74 SER CB C 74 63.626 63.338 0.288 1
1 782 . 8 1 1 A 74 74 SER N N 74 117.297 122.224 -4.927 1
1 783 . 8 1 1 A 75 75 ALA H H 75 8.092 7.504 0.588 1
1 784 . 8 1 1 A 75 75 ALA HA H 75 4.312 4.895 -0.583 1
1 788 . 8 1 1 A 75 75 ALA C C 75 177.173 175.242 1.931 1
1 789 . 8 1 1 A 75 75 ALA CA C 75 52.403 50.828 1.575 1
1 790 . 8 1 1 A 75 75 ALA CB C 75 19.546 23.735 -4.189 1
1 791 . 8 1 1 A 75 75 ALA N N 75 125.952 122.504 3.448 1
1 792 . 8 1 1 A 76 76 VAL H H 76 7.934 8.530 -0.596 1
1 793 . 8 1 1 A 76 76 VAL HA H 76 4.028 4.262 -0.234 1
1 801 . 8 1 1 A 76 76 VAL C C 76 175.784 175.680 0.104 1
1 802 . 8 1 1 A 76 76 VAL CA C 76 62.265 60.685 1.580 1
1 803 . 8 1 1 A 76 76 VAL CB C 76 32.893 34.565 -1.672 1
1 806 . 8 1 1 A 76 76 VAL N N 76 118.959 119.304 -0.345 1
1 807 . 8 1 1 A 77 77 PHE H H 77 8.283 7.726 0.557 1
1 808 . 8 1 1 A 77 77 PHE HA H 77 4.670 4.632 0.038 1
1 813 . 8 1 1 A 77 77 PHE C C 77 175.335 177.108 -1.773 1
1 814 . 8 1 1 A 77 77 PHE CA C 77 57.588 57.232 0.356 1
1 815 . 8 1 1 A 77 77 PHE CB C 77 39.899 40.236 -0.337 1
1 818 . 8 1 1 A 77 77 PHE N N 77 124.298 125.006 -0.708 1
1 819 . 8 1 1 A 78 78 GLU H H 78 8.262 9.041 -0.779 1
1 820 . 8 1 1 A 78 78 GLU HA H 78 4.251 4.150 0.101 1
1 825 . 8 1 1 A 78 78 GLU C C 78 175.451 177.660 -2.209 1
1 826 . 8 1 1 A 78 78 GLU CA C 78 56.179 59.608 -3.429 1
1 827 . 8 1 1 A 78 78 GLU CB C 78 30.676 29.428 1.248 1
1 829 . 8 1 1 A 78 78 GLU N N 78 123.482 119.656 3.826 1
1 830 . 8 1 1 A 79 79 ALA H H 79 8.279 7.612 0.667 1
1 831 . 8 1 1 A 79 79 ALA HA H 79 4.341 4.311 0.030 1
1 835 . 8 1 1 A 79 79 ALA C C 79 176.767 177.233 -0.466 1
1 836 . 8 1 1 A 79 79 ALA CA C 79 52.512 52.653 -0.141 1
1 837 . 8 1 1 A 79 79 ALA CB C 79 19.493 19.145 0.348 1
1 838 . 8 1 1 A 79 79 ALA N N 79 126.363 122.740 3.623 1
1 6 . 9 1 1 A 2 2 HIS H H 2 7.929 8.537 -0.608 1
1 9 . 9 1 1 A 2 2 HIS CB C 2 31.017 32.766 -1.749 1
1 12 . 9 1 1 A 2 2 HIS N N 2 118.946 119.373 -0.427 1
1 13 . 9 1 1 A 3 3 MET HA H 3 4.537 4.782 -0.245 1
1 16 . 9 1 1 A 3 3 MET C C 3 176.240 176.668 -0.428 1
1 17 . 9 1 1 A 3 3 MET CA C 3 55.681 54.252 1.429 1
1 18 . 9 1 1 A 3 3 MET CB C 3 33.063 34.344 -1.281 1
1 20 . 9 1 1 A 4 4 GLY H H 4 8.155 8.692 -0.537 1
1 21 . 9 1 1 A 4 4 GLY HA2 H 4 4.031 3.941 0.090 1
1 22 . 9 1 1 A 4 4 GLY HA3 H 4 4.031 3.943 0.088 1
1 23 . 9 1 1 A 4 4 GLY C C 4 174.348 173.538 0.810 1
1 24 . 9 1 1 A 4 4 GLY CA C 4 45.418 45.399 0.019 1
1 25 . 9 1 1 A 4 4 GLY N N 4 108.673 109.681 -1.008 1
1 26 . 9 1 1 A 5 5 GLU H H 5 8.351 8.449 -0.098 1
1 27 . 9 1 1 A 5 5 GLU HA H 5 4.275 4.295 -0.020 1
1 32 . 9 1 1 A 5 5 GLU C C 5 177.037 176.206 0.831 1
1 33 . 9 1 1 A 5 5 GLU CA C 5 57.098 55.862 1.236 1
1 34 . 9 1 1 A 5 5 GLU CB C 5 30.282 30.962 -0.680 1
1 36 . 9 1 1 A 5 5 GLU N N 5 120.605 121.203 -0.598 1
1 37 . 9 1 1 A 6 6 GLU H H 6 8.641 8.310 0.331 1
1 38 . 9 1 1 A 6 6 GLU HA H 6 4.248 4.280 -0.032 1
1 43 . 9 1 1 A 6 6 GLU C C 6 176.799 175.934 0.865 1
1 44 . 9 1 1 A 6 6 GLU CA C 6 57.344 57.082 0.262 1
1 45 . 9 1 1 A 6 6 GLU CB C 6 29.842 30.303 -0.461 1
1 47 . 9 1 1 A 6 6 GLU N N 6 121.425 122.031 -0.606 1
1 48 . 9 1 1 A 7 7 GLN H H 7 8.304 8.695 -0.391 1
1 53 . 9 1 1 A 7 7 GLN C C 7 175.537 175.486 0.051 1
1 54 . 9 1 1 A 7 7 GLN CA C 7 56.292 56.004 0.288 1
1 55 . 9 1 1 A 7 7 GLN CB C 7 29.164 30.910 -1.746 1
1 57 . 9 1 1 A 7 7 GLN N N 7 120.185 123.697 -3.512 1
1 59 . 9 1 1 A 8 8 TYR H H 8 8.221 7.910 0.311 1
1 60 . 9 1 1 A 8 8 TYR HA H 8 4.606 4.213 0.393 1
1 67 . 9 1 1 A 8 8 TYR C C 8 175.728 176.243 -0.515 1
1 68 . 9 1 1 A 8 8 TYR CA C 8 58.138 58.864 -0.726 1
1 69 . 9 1 1 A 8 8 TYR CB C 8 38.766 36.482 2.284 1
1 70 . 9 1 1 A 8 8 TYR N N 8 120.918 116.978 3.940 1
1 71 . 9 1 1 A 9 9 ASN H H 9 8.288 8.324 -0.036 1
1 72 . 9 1 1 A 9 9 ASN HA H 9 4.654 4.624 0.030 1
1 77 . 9 1 1 A 9 9 ASN C C 9 175.439 175.628 -0.189 1
1 78 . 9 1 1 A 9 9 ASN CA C 9 53.435 55.635 -2.200 1
1 79 . 9 1 1 A 9 9 ASN CB C 9 38.790 37.917 0.873 1
1 80 . 9 1 1 A 9 9 ASN N N 9 120.180 115.960 4.220 1
1 82 . 9 1 1 A 10 10 ARG H H 10 8.128 7.692 0.436 1
1 83 . 9 1 1 A 10 10 ARG HA H 10 4.171 4.154 0.017 1
1 90 . 9 1 1 A 10 10 ARG C C 10 176.244 174.733 1.511 1
1 91 . 9 1 1 A 10 10 ARG CA C 10 57.023 56.839 0.184 1
1 92 . 9 1 1 A 10 10 ARG CB C 10 30.535 31.053 -0.518 1
1 95 . 9 1 1 A 10 10 ARG N N 10 121.014 120.769 0.245 1
1 96 . 9 1 1 A 11 11 TYR H H 11 8.108 9.102 -0.994 1
1 97 . 9 1 1 A 11 11 TYR HA H 11 4.543 5.043 -0.500 1
1 104 . 9 1 1 A 11 11 TYR C C 11 175.929 174.364 1.565 1
1 105 . 9 1 1 A 11 11 TYR CA C 11 58.219 56.870 1.349 1
1 106 . 9 1 1 A 11 11 TYR CB C 11 38.365 43.082 -4.717 1
1 107 . 9 1 1 A 11 11 TYR N N 11 119.776 125.292 -5.516 1
1 108 . 9 1 1 A 12 12 GLN H H 12 8.050 8.976 -0.926 1
1 109 . 9 1 1 A 12 12 GLN HA H 12 4.269 5.205 -0.936 1
1 116 . 9 1 1 A 12 12 GLN C C 12 175.917 174.646 1.271 1
1 117 . 9 1 1 A 12 12 GLN CA C 12 56.240 54.223 2.017 1
1 118 . 9 1 1 A 12 12 GLN CB C 12 29.463 31.939 -2.476 1
1 120 . 9 1 1 A 12 12 GLN N N 12 120.992 118.994 1.998 1
1 122 . 9 1 1 A 13 13 GLN H H 13 8.065 8.799 -0.734 1
1 123 . 9 1 1 A 13 13 GLN HA H 13 4.202 4.819 -0.617 1
1 130 . 9 1 1 A 13 13 GLN C C 13 175.644 174.926 0.718 1
1 131 . 9 1 1 A 13 13 GLN CA C 13 56.242 54.445 1.797 1
1 132 . 9 1 1 A 13 13 GLN CB C 13 29.394 31.989 -2.595 1
1 134 . 9 1 1 A 13 13 GLN N N 13 120.539 121.596 -1.057 1
1 136 . 9 1 1 A 14 14 TYR H H 14 8.212 8.877 -0.665 1
1 137 . 9 1 1 A 14 14 TYR HA H 14 4.572 4.028 0.544 1
1 144 . 9 1 1 A 14 14 TYR C C 14 176.382 175.136 1.246 1
1 145 . 9 1 1 A 14 14 TYR CA C 14 57.958 58.860 -0.902 1
1 146 . 9 1 1 A 14 14 TYR CB C 14 38.983 36.147 2.836 1
1 151 . 9 1 1 A 14 14 TYR N N 14 120.582 117.370 3.212 1
1 152 . 9 1 1 A 15 15 GLY H H 15 8.405 8.115 0.290 1
1 153 . 9 1 1 A 15 15 GLY HA2 H 15 3.933 3.892 0.041 1
1 154 . 9 1 1 A 15 15 GLY HA3 H 15 3.933 3.906 0.027 1
1 155 . 9 1 1 A 15 15 GLY C C 15 173.776 173.042 0.734 1
1 156 . 9 1 1 A 15 15 GLY CA C 15 45.407 46.158 -0.751 1
1 157 . 9 1 1 A 15 15 GLY N N 15 110.724 108.402 2.322 1
1 158 . 9 1 1 A 16 16 ALA H H 16 8.160 7.818 0.342 1
1 159 . 9 1 1 A 16 16 ALA HA H 16 4.302 4.801 -0.499 1
1 163 . 9 1 1 A 16 16 ALA C C 16 178.147 177.122 1.025 1
1 164 . 9 1 1 A 16 16 ALA CA C 16 53.034 50.372 2.662 1
1 165 . 9 1 1 A 16 16 ALA CB C 16 19.392 22.424 -3.032 1
1 166 . 9 1 1 A 16 16 ALA N N 16 123.489 126.453 -2.964 1
1 167 . 9 1 1 A 17 17 GLU H H 17 8.612 8.728 -0.116 1
1 168 . 9 1 1 A 17 17 GLU HA H 17 4.169 4.376 -0.207 1
1 173 . 9 1 1 A 17 17 GLU C C 17 177.000 176.676 0.324 1
1 174 . 9 1 1 A 17 17 GLU CA C 17 57.837 58.411 -0.574 1
1 175 . 9 1 1 A 17 17 GLU CB C 17 29.881 30.898 -1.017 1
1 177 . 9 1 1 A 17 17 GLU N N 17 119.373 118.736 0.637 1
1 178 . 9 1 1 A 18 18 GLU H H 18 8.413 7.868 0.545 1
1 179 . 9 1 1 A 18 18 GLU HA H 18 4.210 4.885 -0.675 1
1 184 . 9 1 1 A 18 18 GLU C C 18 177.015 175.665 1.350 1
1 185 . 9 1 1 A 18 18 GLU CA C 18 57.641 55.038 2.603 1
1 186 . 9 1 1 A 18 18 GLU CB C 18 29.980 32.293 -2.313 1
1 188 . 9 1 1 A 18 18 GLU N N 18 120.184 117.543 2.641 1
1 189 . 9 1 1 A 19 19 CYS H H 19 8.253 8.689 -0.436 1
1 190 . 9 1 1 A 19 19 CYS HA H 19 4.381 4.739 -0.358 1
1 193 . 9 1 1 A 19 19 CYS C C 19 175.552 174.456 1.096 1
1 194 . 9 1 1 A 19 19 CYS CA C 19 59.819 58.747 1.072 1
1 195 . 9 1 1 A 19 19 CYS CB C 19 27.554 30.404 -2.850 1
1 196 . 9 1 1 A 19 19 CYS N N 19 119.775 120.456 -0.681 1
1 197 . 9 1 1 A 20 20 VAL H H 20 8.051 8.568 -0.517 1
1 198 . 9 1 1 A 20 20 VAL HA H 20 3.939 3.606 0.333 1
1 206 . 9 1 1 A 20 20 VAL C C 20 173.904 174.719 -0.815 1
1 207 . 9 1 1 A 20 20 VAL CA C 20 64.113 63.081 1.032 1
1 208 . 9 1 1 A 20 20 VAL CB C 20 32.316 29.666 2.650 1
1 211 . 9 1 1 A 20 20 VAL N N 20 121.008 125.182 -4.174 1
1 212 . 9 1 1 A 21 21 LEU H H 21 8.190 7.794 0.396 1
1 213 . 9 1 1 A 21 21 LEU HA H 21 4.648 4.557 0.091 1
1 222 . 9 1 1 A 21 21 LEU CA C 21 54.565 53.905 0.660 1
1 223 . 9 1 1 A 21 21 LEU CB C 21 41.542 41.697 -0.155 1
1 225 . 9 1 1 A 21 21 LEU N N 21 123.470 121.842 1.628 1
1 226 . 9 1 1 A 22 22 GLN H H 22 8.322 8.643 -0.321 1
1 227 . 9 1 1 A 22 22 GLN HA H 22 4.046 4.529 -0.483 1
1 230 . 9 1 1 A 22 22 GLN C C 22 176.428 178.436 -2.008 1
1 231 . 9 1 1 A 22 22 GLN CA C 22 56.800 57.899 -1.099 1
1 232 . 9 1 1 A 22 22 GLN CB C 22 29.116 29.632 -0.516 1
1 234 . 9 1 1 A 22 22 GLN N N 22 120.999 125.437 -4.438 1
1 236 . 9 1 1 A 23 23 MET H H 23 7.958 8.333 -0.375 1
1 237 . 9 1 1 A 23 23 MET HA H 23 4.487 4.510 -0.023 1
1 245 . 9 1 1 A 23 23 MET C C 23 176.558 178.448 -1.890 1
1 246 . 9 1 1 A 23 23 MET CA C 23 55.842 58.073 -2.231 1
1 247 . 9 1 1 A 23 23 MET CB C 23 32.712 32.351 0.361 1
1 250 . 9 1 1 A 23 23 MET N N 23 118.950 118.903 0.047 1
1 251 . 9 1 1 A 24 24 GLY H H 24 8.549 8.306 0.243 1
1 252 . 9 1 1 A 24 24 GLY HA2 H 24 4.163 3.788 0.375 1
1 253 . 9 1 1 A 24 24 GLY HA3 H 24 3.919 3.791 0.128 1
1 254 . 9 1 1 A 24 24 GLY C C 24 174.799 175.040 -0.241 1
1 255 . 9 1 1 A 24 24 GLY CA C 24 45.547 47.430 -1.883 1
1 256 . 9 1 1 A 24 24 GLY N N 24 110.724 108.360 2.364 1
1 257 . 9 1 1 A 25 25 GLY H H 25 8.216 7.991 0.225 1
1 258 . 9 1 1 A 25 25 GLY HA2 H 25 4.455 4.108 0.347 1
1 259 . 9 1 1 A 25 25 GLY HA3 H 25 3.921 4.117 -0.196 1
1 260 . 9 1 1 A 25 25 GLY C C 25 172.658 172.132 0.526 1
1 261 . 9 1 1 A 25 25 GLY CA C 25 45.087 44.751 0.336 1
1 262 . 9 1 1 A 25 25 GLY N N 25 107.443 108.566 -1.123 1
1 263 . 9 1 1 A 26 26 VAL H H 26 8.726 8.776 -0.050 1
1 264 . 9 1 1 A 26 26 VAL HA H 26 4.533 4.751 -0.218 1
1 272 . 9 1 1 A 26 26 VAL C C 26 172.923 173.723 -0.800 1
1 273 . 9 1 1 A 26 26 VAL CA C 26 59.864 59.758 0.106 1
1 274 . 9 1 1 A 26 26 VAL CB C 26 35.551 35.409 0.142 1
1 277 . 9 1 1 A 26 26 VAL N N 26 116.467 122.333 -5.866 1
1 278 . 9 1 1 A 27 27 LEU H H 27 8.201 8.823 -0.622 1
1 279 . 9 1 1 A 27 27 LEU HA H 27 5.057 5.001 0.056 1
1 289 . 9 1 1 A 27 27 LEU C C 27 176.746 175.948 0.798 1
1 290 . 9 1 1 A 27 27 LEU CA C 27 53.134 52.793 0.341 1
1 291 . 9 1 1 A 27 27 LEU CB C 27 42.926 45.195 -2.269 1
1 294 . 9 1 1 A 27 27 LEU N N 27 124.428 125.088 -0.660 1
1 295 . 9 1 1 A 28 28 CYS H H 28 8.902 8.491 0.411 1
1 296 . 9 1 1 A 28 28 CYS HA H 28 4.158 4.259 -0.101 1
1 299 . 9 1 1 A 28 28 CYS CA C 28 57.728 58.329 -0.601 1
1 300 . 9 1 1 A 28 28 CYS CB C 28 32.175 27.421 4.754 1
1 301 . 9 1 1 A 28 28 CYS N N 28 127.173 120.633 6.540 1
1 302 . 9 1 1 A 29 29 PRO HA H 29 4.410 4.460 -0.050 1
1 309 . 9 1 1 A 29 29 PRO C C 29 177.459 176.247 1.212 1
1 310 . 9 1 1 A 29 29 PRO CA C 29 62.872 63.798 -0.926 1
1 311 . 9 1 1 A 29 29 PRO CB C 29 32.813 31.586 1.227 1
1 314 . 9 1 1 A 30 30 ARG H H 30 9.132 8.015 1.117 1
1 315 . 9 1 1 A 30 30 ARG HA H 30 4.087 4.454 -0.367 1
1 322 . 9 1 1 A 30 30 ARG CA C 30 55.102 52.952 2.150 1
1 323 . 9 1 1 A 30 30 ARG CB C 30 29.469 30.264 -0.795 1
1 326 . 9 1 1 A 30 30 ARG N N 30 127.589 121.606 5.983 1
1 327 . 9 1 1 A 31 31 PRO HA H 31 4.242 4.412 -0.170 1
1 334 . 9 1 1 A 31 31 PRO C C 31 177.828 176.791 1.037 1
1 335 . 9 1 1 A 31 31 PRO CA C 31 64.202 63.837 0.365 1
1 336 . 9 1 1 A 31 31 PRO CB C 31 31.518 31.577 -0.059 1
1 339 . 9 1 1 A 32 32 GLY H H 32 8.773 8.122 0.651 1
1 340 . 9 1 1 A 32 32 GLY HA2 H 32 4.065 4.122 -0.057 1
1 341 . 9 1 1 A 32 32 GLY HA3 H 32 3.706 4.124 -0.418 1
1 342 . 9 1 1 A 32 32 GLY C C 32 173.340 175.557 -2.217 1
1 343 . 9 1 1 A 32 32 GLY CA C 32 45.272 45.922 -0.650 1
1 344 . 9 1 1 A 32 32 GLY N N 32 111.942 105.786 6.156 1
1 345 . 9 1 1 A 33 33 CYS H H 33 7.749 7.759 -0.010 1
1 346 . 9 1 1 A 33 33 CYS HA H 33 4.528 4.167 0.361 1
1 349 . 9 1 1 A 33 33 CYS CA C 33 60.515 62.027 -1.512 1
1 350 . 9 1 1 A 33 33 CYS CB C 33 29.641 27.369 2.272 1
1 351 . 9 1 1 A 33 33 CYS N N 33 123.343 120.643 2.700 1
1 352 . 9 1 1 A 34 34 GLY H H 34 8.351 7.578 0.773 1
1 353 . 9 1 1 A 34 34 GLY HA2 H 34 4.120 3.873 0.247 1
1 354 . 9 1 1 A 34 34 GLY HA3 H 34 3.911 3.880 0.031 1
1 355 . 9 1 1 A 34 34 GLY C C 34 173.849 175.209 -1.360 1
1 356 . 9 1 1 A 34 34 GLY CA C 34 46.225 47.086 -0.861 1
1 357 . 9 1 1 A 34 34 GLY N N 34 106.570 107.958 -1.388 1
1 358 . 9 1 1 A 35 35 ALA H H 35 8.591 8.172 0.419 1
1 359 . 9 1 1 A 35 35 ALA HA H 35 4.091 4.035 0.056 1
1 363 . 9 1 1 A 35 35 ALA C C 35 176.818 178.353 -1.535 1
1 364 . 9 1 1 A 35 35 ALA CA C 35 53.757 55.014 -1.257 1
1 365 . 9 1 1 A 35 35 ALA CB C 35 20.271 18.531 1.740 1
1 366 . 9 1 1 A 35 35 ALA N N 35 125.109 123.152 1.957 1
1 367 . 9 1 1 A 36 36 GLY H H 36 8.348 8.121 0.227 1
1 368 . 9 1 1 A 36 36 GLY HA2 H 36 4.412 3.905 0.507 1
1 369 . 9 1 1 A 36 36 GLY HA3 H 36 3.479 3.915 -0.436 1
1 370 . 9 1 1 A 36 36 GLY C C 36 177.324 174.393 2.931 1
1 371 . 9 1 1 A 36 36 GLY CA C 36 45.847 46.732 -0.885 1
1 372 . 9 1 1 A 36 36 GLY N N 36 106.607 106.922 -0.315 1
1 373 . 9 1 1 A 37 37 LEU H H 37 8.190 7.826 0.364 1
1 374 . 9 1 1 A 37 37 LEU HA H 37 4.753 4.531 0.222 1
1 384 . 9 1 1 A 37 37 LEU C C 37 177.064 175.708 1.356 1
1 385 . 9 1 1 A 37 37 LEU CB C 37 44.730 42.748 1.982 1
1 389 . 9 1 1 A 37 37 LEU N N 37 123.541 118.496 5.045 1
1 390 . 9 1 1 A 38 38 LEU H H 38 8.210 8.750 -0.540 1
1 391 . 9 1 1 A 38 38 LEU HA H 38 4.981 4.445 0.536 1
1 401 . 9 1 1 A 38 38 LEU CA C 38 51.755 53.097 -1.342 1
1 402 . 9 1 1 A 38 38 LEU CB C 38 42.309 42.800 -0.491 1
1 405 . 9 1 1 A 38 38 LEU N N 38 124.280 125.873 -1.593 1
1 406 . 9 1 1 A 39 39 PRO HA H 39 4.600 4.579 0.021 1
1 413 . 9 1 1 A 39 39 PRO C C 39 176.647 176.449 0.198 1
1 414 . 9 1 1 A 39 39 PRO CA C 39 62.130 62.170 -0.040 1
1 415 . 9 1 1 A 39 39 PRO CB C 39 32.686 32.441 0.245 1
1 418 . 9 1 1 A 40 40 GLU H H 40 8.631 8.485 0.146 1
1 419 . 9 1 1 A 40 40 GLU HA H 40 4.485 4.327 0.158 1
1 424 . 9 1 1 A 40 40 GLU CA C 40 55.067 55.305 -0.238 1
1 425 . 9 1 1 A 40 40 GLU CB C 40 29.310 29.470 -0.160 1
1 426 . 9 1 1 A 40 40 GLU N N 40 122.240 120.848 1.392 1
1 427 . 9 1 1 A 41 41 PRO HA H 41 3.869 4.398 -0.529 1
1 434 . 9 1 1 A 41 41 PRO C C 41 176.908 176.015 0.893 1
1 435 . 9 1 1 A 41 41 PRO CA C 41 64.772 63.836 0.936 1
1 436 . 9 1 1 A 41 41 PRO CB C 41 32.172 30.932 1.240 1
1 439 . 9 1 1 A 42 42 ASP H H 42 8.486 7.867 0.619 1
1 440 . 9 1 1 A 42 42 ASP HA H 42 4.456 4.866 -0.410 1
1 443 . 9 1 1 A 42 42 ASP C C 42 175.265 176.202 -0.937 1
1 444 . 9 1 1 A 42 42 ASP CA C 42 54.480 53.064 1.416 1
1 445 . 9 1 1 A 42 42 ASP CB C 42 40.139 43.429 -3.290 1
1 446 . 9 1 1 A 42 42 ASP N N 42 114.895 120.632 -5.737 1
1 447 . 9 1 1 A 43 43 GLN H H 43 7.280 9.023 -1.743 1
1 448 . 9 1 1 A 43 43 GLN HA H 43 4.420 4.060 0.360 1
1 455 . 9 1 1 A 43 43 GLN CA C 43 54.877 57.980 -3.103 1
1 456 . 9 1 1 A 43 43 GLN CB C 43 30.219 27.942 2.277 1
1 458 . 9 1 1 A 43 43 GLN N N 43 118.523 123.621 -5.098 1
1 460 . 9 1 1 A 44 44 ARG H H 44 8.207 7.709 0.498 1
1 461 . 9 1 1 A 44 44 ARG HA H 44 4.206 4.097 0.109 1
1 468 . 9 1 1 A 44 44 ARG C C 44 175.581 177.023 -1.442 1
1 469 . 9 1 1 A 44 44 ARG CA C 44 58.285 58.912 -0.627 1
1 470 . 9 1 1 A 44 44 ARG CB C 44 32.175 30.337 1.838 1
1 473 . 9 1 1 A 44 44 ARG N N 44 120.127 118.555 1.572 1
1 474 . 9 1 1 A 45 45 LYS H H 45 7.909 7.234 0.675 1
1 475 . 9 1 1 A 45 45 LYS HA H 45 3.985 4.892 -0.907 1
1 484 . 9 1 1 A 45 45 LYS C C 45 174.753 174.157 0.596 1
1 485 . 9 1 1 A 45 45 LYS CA C 45 56.378 55.666 0.712 1
1 486 . 9 1 1 A 45 45 LYS CB C 45 32.190 34.840 -2.650 1
1 490 . 9 1 1 A 45 45 LYS N N 45 118.935 119.691 -0.756 1
1 491 . 9 1 1 A 46 46 VAL H H 46 8.574 9.068 -0.494 1
1 492 . 9 1 1 A 46 46 VAL HA H 46 3.870 4.734 -0.864 1
1 500 . 9 1 1 A 46 46 VAL C C 46 173.589 174.909 -1.320 1
1 501 . 9 1 1 A 46 46 VAL CA C 46 60.777 61.034 -0.257 1
1 502 . 9 1 1 A 46 46 VAL CB C 46 32.263 33.243 -0.980 1
1 505 . 9 1 1 A 46 46 VAL N N 46 130.468 126.606 3.862 1
1 506 . 9 1 1 A 47 47 THR H H 47 8.098 8.876 -0.778 1
1 507 . 9 1 1 A 47 47 THR HA H 47 4.864 4.978 -0.114 1
1 512 . 9 1 1 A 47 47 THR C C 47 173.666 175.320 -1.654 1
1 513 . 9 1 1 A 47 47 THR CA C 47 61.070 60.672 0.398 1
1 514 . 9 1 1 A 47 47 THR CB C 47 69.693 71.252 -1.559 1
1 516 . 9 1 1 A 47 47 THR N N 47 120.392 122.624 -2.232 1
1 517 . 9 1 1 A 48 48 CYS H H 48 8.928 8.732 0.196 1
1 518 . 9 1 1 A 48 48 CYS HA H 48 4.581 4.583 -0.002 1
1 521 . 9 1 1 A 48 48 CYS C C 48 174.212 174.938 -0.726 1
1 522 . 9 1 1 A 48 48 CYS CA C 48 59.848 59.778 0.070 1
1 523 . 9 1 1 A 48 48 CYS CB C 48 29.425 28.273 1.152 1
1 524 . 9 1 1 A 48 48 CYS N N 48 130.472 122.900 7.572 1
1 525 . 9 1 1 A 49 49 GLU H H 49 7.552 7.663 -0.111 1
1 526 . 9 1 1 A 49 49 GLU HA H 49 4.647 4.288 0.359 1
1 531 . 9 1 1 A 49 49 GLU C C 49 175.297 176.941 -1.644 1
1 532 . 9 1 1 A 49 49 GLU CA C 49 55.852 57.428 -1.576 1
1 533 . 9 1 1 A 49 49 GLU CB C 49 31.404 30.814 0.590 1
1 535 . 9 1 1 A 49 49 GLU N N 49 128.705 120.346 8.359 1
1 536 . 9 1 1 A 50 50 GLY H H 50 8.459 8.558 -0.099 1
1 537 . 9 1 1 A 50 50 GLY HA2 H 50 4.128 4.167 -0.039 1
1 538 . 9 1 1 A 50 50 GLY HA3 H 50 3.916 4.174 -0.258 1
1 539 . 9 1 1 A 50 50 GLY C C 50 174.247 174.331 -0.084 1
1 540 . 9 1 1 A 50 50 GLY CA C 50 45.243 45.858 -0.615 1
1 541 . 9 1 1 A 50 50 GLY N N 50 109.953 108.858 1.095 1
1 542 . 9 1 1 A 51 51 GLY H H 51 8.548 8.496 0.052 1
1 543 . 9 1 1 A 51 51 GLY HA2 H 51 3.991 4.105 -0.114 1
1 544 . 9 1 1 A 51 51 GLY HA3 H 51 3.991 4.106 -0.115 1
1 545 . 9 1 1 A 51 51 GLY C C 51 174.381 173.670 0.711 1
1 546 . 9 1 1 A 51 51 GLY CA C 51 45.714 44.040 1.674 1
1 547 . 9 1 1 A 51 51 GLY N N 51 109.074 112.231 -3.157 1
1 548 . 9 1 1 A 52 52 ASN H H 52 8.740 8.388 0.352 1
1 549 . 9 1 1 A 52 52 ASN HA H 52 4.566 4.955 -0.389 1
1 554 . 9 1 1 A 52 52 ASN C C 52 175.686 175.949 -0.263 1
1 555 . 9 1 1 A 52 52 ASN CA C 52 53.618 52.575 1.043 1
1 556 . 9 1 1 A 52 52 ASN CB C 52 38.009 39.490 -1.481 1
1 557 . 9 1 1 A 52 52 ASN N N 52 118.415 117.135 1.280 1
1 559 . 9 1 1 A 53 53 GLY H H 53 8.367 8.727 -0.360 1
1 560 . 9 1 1 A 53 53 GLY HA2 H 53 4.101 3.954 0.147 1
1 561 . 9 1 1 A 53 53 GLY HA3 H 53 3.808 3.954 -0.146 1
1 562 . 9 1 1 A 53 53 GLY C C 53 174.323 173.262 1.061 1
1 563 . 9 1 1 A 53 53 GLY CA C 53 45.675 45.344 0.331 1
1 564 . 9 1 1 A 53 53 GLY N N 53 107.419 110.767 -3.348 1
1 565 . 9 1 1 A 54 54 LEU H H 54 7.703 7.968 -0.265 1
1 566 . 9 1 1 A 54 54 LEU HA H 54 4.405 4.933 -0.528 1
1 576 . 9 1 1 A 54 54 LEU C C 54 177.359 176.362 0.997 1
1 577 . 9 1 1 A 54 54 LEU CA C 54 55.162 53.855 1.307 1
1 578 . 9 1 1 A 54 54 LEU CB C 54 42.742 43.995 -1.253 1
1 582 . 9 1 1 A 54 54 LEU N N 54 121.020 122.953 -1.933 1
1 583 . 9 1 1 A 55 55 GLY H H 55 8.265 8.600 -0.335 1
1 584 . 9 1 1 A 55 55 GLY HA2 H 55 4.112 4.250 -0.138 1
1 585 . 9 1 1 A 55 55 GLY HA3 H 55 4.112 4.262 -0.150 1
1 586 . 9 1 1 A 55 55 GLY C C 55 174.453 175.043 -0.590 1
1 587 . 9 1 1 A 55 55 GLY CA C 55 45.438 45.418 0.020 1
1 588 . 9 1 1 A 55 55 GLY N N 55 109.910 109.668 0.242 1
1 589 . 9 1 1 A 56 56 CYS H H 56 10.071 8.640 1.431 1
1 590 . 9 1 1 A 56 56 CYS HA H 56 4.928 4.297 0.631 1
1 593 . 9 1 1 A 56 56 CYS C C 56 177.993 175.222 2.771 1
1 594 . 9 1 1 A 56 56 CYS CA C 56 59.541 60.624 -1.083 1
1 595 . 9 1 1 A 56 56 CYS CB C 56 32.099 28.094 4.005 1
1 596 . 9 1 1 A 56 56 CYS N N 56 124.504 119.912 4.592 1
1 597 . 9 1 1 A 57 57 GLY H H 57 9.174 8.315 0.859 1
1 598 . 9 1 1 A 57 57 GLY HA2 H 57 4.313 3.942 0.371 1
1 599 . 9 1 1 A 57 57 GLY HA3 H 57 3.668 3.955 -0.287 1
1 600 . 9 1 1 A 57 57 GLY C C 57 173.686 173.802 -0.116 1
1 601 . 9 1 1 A 57 57 GLY CA C 57 45.860 45.234 0.626 1
1 602 . 9 1 1 A 57 57 GLY N N 57 114.428 108.417 6.011 1
1 603 . 9 1 1 A 58 58 PHE H H 58 9.036 7.727 1.309 1
1 604 . 9 1 1 A 58 58 PHE HA H 58 4.623 4.818 -0.195 1
1 611 . 9 1 1 A 58 58 PHE C C 58 173.896 174.594 -0.698 1
1 612 . 9 1 1 A 58 58 PHE CA C 58 58.969 55.909 3.060 1
1 613 . 9 1 1 A 58 58 PHE CB C 58 41.132 41.264 -0.132 1
1 614 . 9 1 1 A 58 58 PHE N N 58 125.130 120.589 4.541 1
1 615 . 9 1 1 A 59 59 ALA H H 59 7.570 8.520 -0.950 1
1 616 . 9 1 1 A 59 59 ALA HA H 59 5.486 4.899 0.587 1
1 620 . 9 1 1 A 59 59 ALA C C 59 176.469 177.957 -1.488 1
1 621 . 9 1 1 A 59 59 ALA CA C 59 49.817 52.913 -3.096 1
1 622 . 9 1 1 A 59 59 ALA CB C 59 19.826 19.152 0.674 1
1 623 . 9 1 1 A 59 59 ALA N N 59 128.638 130.157 -1.519 1
1 624 . 9 1 1 A 60 60 PHE H H 60 9.387 9.035 0.352 1
1 625 . 9 1 1 A 60 60 PHE HA H 60 5.204 5.533 -0.329 1
1 632 . 9 1 1 A 60 60 PHE C C 60 172.955 172.624 0.331 1
1 633 . 9 1 1 A 60 60 PHE CA C 60 54.353 55.432 -1.079 1
1 634 . 9 1 1 A 60 60 PHE CB C 60 42.246 41.743 0.503 1
1 637 . 9 1 1 A 60 60 PHE N N 60 121.410 116.854 4.556 1
1 638 . 9 1 1 A 61 61 CYS H H 61 8.772 8.743 0.029 1
1 639 . 9 1 1 A 61 61 CYS HA H 61 4.754 4.709 0.045 1
1 642 . 9 1 1 A 61 61 CYS C C 61 177.353 175.823 1.530 1
1 643 . 9 1 1 A 61 61 CYS CA C 61 58.032 57.148 0.884 1
1 644 . 9 1 1 A 61 61 CYS CB C 61 32.242 29.822 2.420 1
1 645 . 9 1 1 A 61 61 CYS N N 61 120.610 120.149 0.461 1
1 646 . 9 1 1 A 62 62 ARG H H 62 9.535 8.556 0.979 1
1 647 . 9 1 1 A 62 62 ARG HA H 62 4.027 4.076 -0.049 1
1 654 . 9 1 1 A 62 62 ARG C C 62 175.657 178.661 -3.004 1
1 655 . 9 1 1 A 62 62 ARG CA C 62 59.330 58.461 0.869 1
1 656 . 9 1 1 A 62 62 ARG CB C 62 31.196 29.803 1.393 1
1 659 . 9 1 1 A 62 62 ARG N N 62 130.041 126.783 3.258 1
1 660 . 9 1 1 A 63 63 GLU H H 63 8.721 7.469 1.252 1
1 661 . 9 1 1 A 63 63 GLU HA H 63 4.394 4.112 0.282 1
1 666 . 9 1 1 A 63 63 GLU C C 63 177.341 178.208 -0.867 1
1 667 . 9 1 1 A 63 63 GLU CA C 63 58.404 59.394 -0.990 1
1 668 . 9 1 1 A 63 63 GLU CB C 63 30.501 29.554 0.947 1
1 670 . 9 1 1 A 63 63 GLU N N 63 118.534 119.622 -1.088 1
1 671 . 9 1 1 A 64 64 CYS H H 64 8.050 7.837 0.213 1
1 672 . 9 1 1 A 64 64 CYS HA H 64 4.962 4.597 0.365 1
1 675 . 9 1 1 A 64 64 CYS C C 64 176.019 175.461 0.558 1
1 676 . 9 1 1 A 64 64 CYS CA C 64 58.858 58.254 0.604 1
1 677 . 9 1 1 A 64 64 CYS CB C 64 32.103 27.718 4.385 1
1 678 . 9 1 1 A 64 64 CYS N N 64 116.495 115.168 1.327 1
1 679 . 9 1 1 A 65 65 LYS H H 65 8.489 8.183 0.306 1
1 680 . 9 1 1 A 65 65 LYS HA H 65 4.191 4.559 -0.368 1
1 687 . 9 1 1 A 65 65 LYS C C 65 174.742 175.421 -0.679 1
1 688 . 9 1 1 A 65 65 LYS CA C 65 58.883 57.300 1.583 1
1 689 . 9 1 1 A 65 65 LYS CB C 65 28.865 30.208 -1.343 1
1 693 . 9 1 1 A 65 65 LYS N N 65 117.320 120.239 -2.919 1
1 694 . 9 1 1 A 66 66 GLU H H 66 8.272 7.366 0.906 1
1 695 . 9 1 1 A 66 66 GLU HA H 66 4.721 4.927 -0.206 1
1 700 . 9 1 1 A 66 66 GLU C C 66 175.422 175.877 -0.455 1
1 701 . 9 1 1 A 66 66 GLU CA C 66 55.285 54.594 0.691 1
1 702 . 9 1 1 A 66 66 GLU CB C 66 31.666 32.854 -1.188 1
1 704 . 9 1 1 A 66 66 GLU N N 66 117.719 119.354 -1.635 1
1 705 . 9 1 1 A 67 67 ALA H H 67 8.766 8.517 0.249 1
1 706 . 9 1 1 A 67 67 ALA HA H 67 4.177 4.485 -0.308 1
1 710 . 9 1 1 A 67 67 ALA C C 67 177.459 176.969 0.490 1
1 711 . 9 1 1 A 67 67 ALA CA C 67 53.019 53.165 -0.146 1
1 712 . 9 1 1 A 67 67 ALA CB C 67 18.548 19.113 -0.565 1
1 713 . 9 1 1 A 67 67 ALA N N 67 120.597 124.506 -3.909 1
1 714 . 9 1 1 A 68 68 TYR H H 68 8.061 8.875 -0.814 1
1 715 . 9 1 1 A 68 68 TYR HA H 68 4.531 4.365 0.166 1
1 722 . 9 1 1 A 68 68 TYR CA C 68 58.242 59.564 -1.322 1
1 723 . 9 1 1 A 68 68 TYR CB C 68 38.531 38.978 -0.447 1
1 728 . 9 1 1 A 68 68 TYR N N 68 120.592 124.047 -3.455 1
1 729 . 9 1 1 A 69 69 HIS HA H 69 4.643 5.535 -0.892 1
1 734 . 9 1 1 A 69 69 HIS C C 69 173.158 175.875 -2.717 1
1 735 . 9 1 1 A 69 69 HIS CA C 69 51.310 53.572 -2.262 1
1 736 . 9 1 1 A 69 69 HIS CB C 69 32.038 32.404 -0.366 1
1 739 . 9 1 1 A 70 70 GLU H H 70 8.796 9.391 -0.595 1
1 740 . 9 1 1 A 70 70 GLU HA H 70 4.238 4.512 -0.274 1
1 745 . 9 1 1 A 70 70 GLU C C 70 178.838 176.807 2.031 1
1 746 . 9 1 1 A 70 70 GLU CA C 70 55.450 56.962 -1.512 1
1 747 . 9 1 1 A 70 70 GLU CB C 70 30.527 30.156 0.371 1
1 749 . 9 1 1 A 70 70 GLU N N 70 120.194 119.706 0.488 1
1 750 . 9 1 1 A 71 71 GLY H H 71 8.876 7.904 0.972 1
1 751 . 9 1 1 A 71 71 GLY HA2 H 71 4.082 3.985 0.097 1
1 752 . 9 1 1 A 71 71 GLY HA3 H 71 3.910 4.020 -0.110 1
1 753 . 9 1 1 A 71 71 GLY C C 71 173.634 173.110 0.524 1
1 754 . 9 1 1 A 71 71 GLY CA C 71 45.615 45.352 0.263 1
1 755 . 9 1 1 A 71 71 GLY N N 71 111.118 108.569 2.549 1
1 756 . 9 1 1 A 72 72 GLU H H 72 8.391 7.708 0.683 1
1 757 . 9 1 1 A 72 72 GLU HA H 72 4.360 4.421 -0.061 1
1 762 . 9 1 1 A 72 72 GLU C C 72 177.319 175.384 1.935 1
1 763 . 9 1 1 A 72 72 GLU CA C 72 56.571 55.714 0.857 1
1 764 . 9 1 1 A 72 72 GLU CB C 72 30.411 33.199 -2.788 1
1 766 . 9 1 1 A 72 72 GLU N N 72 118.939 118.768 0.171 1
1 767 . 9 1 1 A 73 73 CYS H H 73 8.574 8.735 -0.161 1
1 768 . 9 1 1 A 73 73 CYS HA H 73 3.770 4.190 -0.420 1
1 771 . 9 1 1 A 73 73 CYS C C 73 176.052 175.086 0.966 1
1 772 . 9 1 1 A 73 73 CYS CA C 73 60.416 62.393 -1.977 1
1 773 . 9 1 1 A 73 73 CYS CB C 73 30.793 27.456 3.337 1
1 774 . 9 1 1 A 73 73 CYS N N 73 123.479 123.750 -0.271 1
1 775 . 9 1 1 A 74 74 SER H H 74 8.541 8.056 0.485 1
1 776 . 9 1 1 A 74 74 SER HA H 74 4.288 4.124 0.164 1
1 779 . 9 1 1 A 74 74 SER C C 74 174.140 174.838 -0.698 1
1 780 . 9 1 1 A 74 74 SER CA C 74 58.591 59.134 -0.543 1
1 781 . 9 1 1 A 74 74 SER CB C 74 63.626 61.928 1.698 1
1 782 . 9 1 1 A 74 74 SER N N 74 117.297 115.186 2.111 1
1 783 . 9 1 1 A 75 75 ALA H H 75 8.092 7.965 0.127 1
1 784 . 9 1 1 A 75 75 ALA HA H 75 4.312 4.686 -0.374 1
1 788 . 9 1 1 A 75 75 ALA C C 75 177.173 178.022 -0.849 1
1 789 . 9 1 1 A 75 75 ALA CA C 75 52.403 51.305 1.098 1
1 790 . 9 1 1 A 75 75 ALA CB C 75 19.546 19.674 -0.128 1
1 791 . 9 1 1 A 75 75 ALA N N 75 125.952 121.473 4.479 1
1 792 . 9 1 1 A 76 76 VAL H H 76 7.934 7.549 0.385 1
1 793 . 9 1 1 A 76 76 VAL HA H 76 4.028 3.643 0.385 1
1 801 . 9 1 1 A 76 76 VAL C C 76 175.784 176.132 -0.348 1
1 802 . 9 1 1 A 76 76 VAL CA C 76 62.265 66.260 -3.995 1
1 803 . 9 1 1 A 76 76 VAL CB C 76 32.893 31.701 1.192 1
1 806 . 9 1 1 A 76 76 VAL N N 76 118.959 119.100 -0.141 1
1 807 . 9 1 1 A 77 77 PHE H H 77 8.283 8.172 0.111 1
1 808 . 9 1 1 A 77 77 PHE HA H 77 4.670 4.157 0.513 1
1 813 . 9 1 1 A 77 77 PHE C C 77 175.335 175.520 -0.185 1
1 814 . 9 1 1 A 77 77 PHE CA C 77 57.588 58.514 -0.926 1
1 815 . 9 1 1 A 77 77 PHE CB C 77 39.899 37.725 2.174 1
1 818 . 9 1 1 A 77 77 PHE N N 77 124.298 120.618 3.680 1
1 819 . 9 1 1 A 78 78 GLU H H 78 8.262 7.968 0.294 1
1 820 . 9 1 1 A 78 78 GLU HA H 78 4.251 4.406 -0.155 1
1 825 . 9 1 1 A 78 78 GLU C C 78 175.451 178.039 -2.588 1
1 826 . 9 1 1 A 78 78 GLU CA C 78 56.179 57.463 -1.284 1
1 827 . 9 1 1 A 78 78 GLU CB C 78 30.676 31.555 -0.879 1
1 829 . 9 1 1 A 78 78 GLU N N 78 123.482 119.088 4.394 1
1 830 . 9 1 1 A 79 79 ALA H H 79 8.279 8.019 0.260 1
1 831 . 9 1 1 A 79 79 ALA HA H 79 4.341 4.040 0.301 1
1 835 . 9 1 1 A 79 79 ALA C C 79 176.767 178.840 -2.073 1
1 836 . 9 1 1 A 79 79 ALA CA C 79 52.512 55.487 -2.975 1
1 837 . 9 1 1 A 79 79 ALA CB C 79 19.493 19.101 0.392 1
1 838 . 9 1 1 A 79 79 ALA N N 79 126.363 122.390 3.973 1
1 6 . 10 1 1 A 2 2 HIS H H 2 7.929 8.328 -0.399 1
1 9 . 10 1 1 A 2 2 HIS CB C 2 31.017 30.606 0.411 1
1 12 . 10 1 1 A 2 2 HIS N N 2 118.946 117.111 1.835 1
1 13 . 10 1 1 A 3 3 MET HA H 3 4.537 4.178 0.359 1
1 16 . 10 1 1 A 3 3 MET C C 3 176.240 176.020 0.220 1
1 17 . 10 1 1 A 3 3 MET CA C 3 55.681 56.099 -0.418 1
1 18 . 10 1 1 A 3 3 MET CB C 3 33.063 33.958 -0.895 1
1 20 . 10 1 1 A 4 4 GLY H H 4 8.155 8.242 -0.087 1
1 21 . 10 1 1 A 4 4 GLY HA2 H 4 4.031 4.082 -0.051 1
1 22 . 10 1 1 A 4 4 GLY HA3 H 4 4.031 4.105 -0.074 1
1 23 . 10 1 1 A 4 4 GLY C C 4 174.348 172.807 1.541 1
1 24 . 10 1 1 A 4 4 GLY CA C 4 45.418 45.438 -0.020 1
1 25 . 10 1 1 A 4 4 GLY N N 4 108.673 108.345 0.328 1
1 26 . 10 1 1 A 5 5 GLU H H 5 8.351 8.725 -0.374 1
1 27 . 10 1 1 A 5 5 GLU HA H 5 4.275 5.068 -0.793 1
1 32 . 10 1 1 A 5 5 GLU C C 5 177.037 176.832 0.205 1
1 33 . 10 1 1 A 5 5 GLU CA C 5 57.098 54.827 2.271 1
1 34 . 10 1 1 A 5 5 GLU CB C 5 30.282 31.909 -1.627 1
1 36 . 10 1 1 A 5 5 GLU N N 5 120.605 117.135 3.470 1
1 37 . 10 1 1 A 6 6 GLU H H 6 8.641 8.669 -0.028 1
1 38 . 10 1 1 A 6 6 GLU HA H 6 4.248 4.521 -0.273 1
1 43 . 10 1 1 A 6 6 GLU C C 6 176.799 176.298 0.501 1
1 44 . 10 1 1 A 6 6 GLU CA C 6 57.344 56.046 1.298 1
1 45 . 10 1 1 A 6 6 GLU CB C 6 29.842 30.112 -0.270 1
1 47 . 10 1 1 A 6 6 GLU N N 6 121.425 122.632 -1.207 1
1 48 . 10 1 1 A 7 7 GLN H H 7 8.304 7.693 0.611 1
1 53 . 10 1 1 A 7 7 GLN C C 7 175.537 175.076 0.461 1
1 54 . 10 1 1 A 7 7 GLN CA C 7 56.292 56.252 0.040 1
1 55 . 10 1 1 A 7 7 GLN CB C 7 29.164 30.050 -0.886 1
1 57 . 10 1 1 A 7 7 GLN N N 7 120.185 120.352 -0.167 1
1 59 . 10 1 1 A 8 8 TYR H H 8 8.221 8.598 -0.377 1
1 60 . 10 1 1 A 8 8 TYR HA H 8 4.606 4.912 -0.306 1
1 67 . 10 1 1 A 8 8 TYR C C 8 175.728 175.231 0.497 1
1 68 . 10 1 1 A 8 8 TYR CA C 8 58.138 56.730 1.408 1
1 69 . 10 1 1 A 8 8 TYR CB C 8 38.766 41.976 -3.210 1
1 70 . 10 1 1 A 8 8 TYR N N 8 120.918 120.180 0.738 1
1 71 . 10 1 1 A 9 9 ASN H H 9 8.288 8.700 -0.412 1
1 72 . 10 1 1 A 9 9 ASN HA H 9 4.654 4.773 -0.119 1
1 77 . 10 1 1 A 9 9 ASN C C 9 175.439 176.303 -0.864 1
1 78 . 10 1 1 A 9 9 ASN CA C 9 53.435 53.869 -0.434 1
1 79 . 10 1 1 A 9 9 ASN CB C 9 38.790 39.371 -0.581 1
1 80 . 10 1 1 A 9 9 ASN N N 9 120.180 121.620 -1.440 1
1 82 . 10 1 1 A 10 10 ARG H H 10 8.128 8.068 0.060 1
1 83 . 10 1 1 A 10 10 ARG HA H 10 4.171 4.232 -0.061 1
1 90 . 10 1 1 A 10 10 ARG C C 10 176.244 176.699 -0.455 1
1 91 . 10 1 1 A 10 10 ARG CA C 10 57.023 56.607 0.416 1
1 92 . 10 1 1 A 10 10 ARG CB C 10 30.535 30.611 -0.076 1
1 95 . 10 1 1 A 10 10 ARG N N 10 121.014 122.875 -1.861 1
1 96 . 10 1 1 A 11 11 TYR H H 11 8.108 8.267 -0.159 1
1 97 . 10 1 1 A 11 11 TYR HA H 11 4.543 4.403 0.140 1
1 104 . 10 1 1 A 11 11 TYR C C 11 175.929 176.866 -0.937 1
1 105 . 10 1 1 A 11 11 TYR CA C 11 58.219 59.345 -1.126 1
1 106 . 10 1 1 A 11 11 TYR CB C 11 38.365 38.893 -0.528 1
1 107 . 10 1 1 A 11 11 TYR N N 11 119.776 121.095 -1.319 1
1 108 . 10 1 1 A 12 12 GLN H H 12 8.050 8.880 -0.830 1
1 109 . 10 1 1 A 12 12 GLN HA H 12 4.269 4.091 0.178 1
1 116 . 10 1 1 A 12 12 GLN C C 12 175.917 176.779 -0.862 1
1 117 . 10 1 1 A 12 12 GLN CA C 12 56.240 58.666 -2.426 1
1 118 . 10 1 1 A 12 12 GLN CB C 12 29.463 28.796 0.667 1
1 120 . 10 1 1 A 12 12 GLN N N 12 120.992 123.258 -2.266 1
1 122 . 10 1 1 A 13 13 GLN H H 13 8.065 7.584 0.481 1
1 123 . 10 1 1 A 13 13 GLN HA H 13 4.202 4.393 -0.191 1
1 130 . 10 1 1 A 13 13 GLN C C 13 175.644 175.111 0.533 1
1 131 . 10 1 1 A 13 13 GLN CA C 13 56.242 55.932 0.310 1
1 132 . 10 1 1 A 13 13 GLN CB C 13 29.394 29.410 -0.016 1
1 134 . 10 1 1 A 13 13 GLN N N 13 120.539 118.038 2.501 1
1 136 . 10 1 1 A 14 14 TYR H H 14 8.212 9.256 -1.044 1
1 137 . 10 1 1 A 14 14 TYR HA H 14 4.572 4.632 -0.060 1
1 144 . 10 1 1 A 14 14 TYR C C 14 176.382 176.505 -0.123 1
1 145 . 10 1 1 A 14 14 TYR CA C 14 57.958 59.353 -1.395 1
1 146 . 10 1 1 A 14 14 TYR CB C 14 38.983 39.625 -0.642 1
1 151 . 10 1 1 A 14 14 TYR N N 14 120.582 122.546 -1.964 1
1 152 . 10 1 1 A 15 15 GLY H H 15 8.405 8.150 0.255 1
1 153 . 10 1 1 A 15 15 GLY HA2 H 15 3.933 4.041 -0.108 1
1 154 . 10 1 1 A 15 15 GLY HA3 H 15 3.933 4.054 -0.121 1
1 155 . 10 1 1 A 15 15 GLY C C 15 173.776 174.849 -1.073 1
1 156 . 10 1 1 A 15 15 GLY CA C 15 45.407 45.928 -0.521 1
1 157 . 10 1 1 A 15 15 GLY N N 15 110.724 106.876 3.848 1
1 158 . 10 1 1 A 16 16 ALA H H 16 8.160 8.143 0.017 1
1 159 . 10 1 1 A 16 16 ALA HA H 16 4.302 4.363 -0.061 1
1 163 . 10 1 1 A 16 16 ALA C C 16 178.147 176.798 1.349 1
1 164 . 10 1 1 A 16 16 ALA CA C 16 53.034 52.442 0.592 1
1 165 . 10 1 1 A 16 16 ALA CB C 16 19.392 19.966 -0.574 1
1 166 . 10 1 1 A 16 16 ALA N N 16 123.489 123.428 0.061 1
1 167 . 10 1 1 A 17 17 GLU H H 17 8.612 8.785 -0.173 1
1 168 . 10 1 1 A 17 17 GLU HA H 17 4.169 4.794 -0.625 1
1 173 . 10 1 1 A 17 17 GLU C C 17 177.000 176.350 0.650 1
1 174 . 10 1 1 A 17 17 GLU CA C 17 57.837 54.953 2.884 1
1 175 . 10 1 1 A 17 17 GLU CB C 17 29.881 30.637 -0.756 1
1 177 . 10 1 1 A 17 17 GLU N N 17 119.373 121.979 -2.606 1
1 178 . 10 1 1 A 18 18 GLU H H 18 8.413 8.658 -0.245 1
1 179 . 10 1 1 A 18 18 GLU HA H 18 4.210 4.247 -0.037 1
1 184 . 10 1 1 A 18 18 GLU C C 18 177.015 176.610 0.405 1
1 185 . 10 1 1 A 18 18 GLU CA C 18 57.641 56.822 0.819 1
1 186 . 10 1 1 A 18 18 GLU CB C 18 29.980 29.808 0.172 1
1 188 . 10 1 1 A 18 18 GLU N N 18 120.184 125.611 -5.427 1
1 189 . 10 1 1 A 19 19 CYS H H 19 8.253 8.787 -0.534 1
1 190 . 10 1 1 A 19 19 CYS HA H 19 4.381 4.870 -0.489 1
1 193 . 10 1 1 A 19 19 CYS C C 19 175.552 174.367 1.185 1
1 194 . 10 1 1 A 19 19 CYS CA C 19 59.819 57.763 2.056 1
1 195 . 10 1 1 A 19 19 CYS CB C 19 27.554 29.469 -1.915 1
1 196 . 10 1 1 A 19 19 CYS N N 19 119.775 122.981 -3.206 1
1 197 . 10 1 1 A 20 20 VAL H H 20 8.051 8.533 -0.482 1
1 198 . 10 1 1 A 20 20 VAL HA H 20 3.939 3.660 0.279 1
1 206 . 10 1 1 A 20 20 VAL C C 20 173.904 174.817 -0.913 1
1 207 . 10 1 1 A 20 20 VAL CA C 20 64.113 63.276 0.837 1
1 208 . 10 1 1 A 20 20 VAL CB C 20 32.316 29.595 2.721 1
1 211 . 10 1 1 A 20 20 VAL N N 20 121.008 122.004 -0.996 1
1 212 . 10 1 1 A 21 21 LEU H H 21 8.190 7.781 0.409 1
1 213 . 10 1 1 A 21 21 LEU HA H 21 4.648 4.530 0.118 1
1 222 . 10 1 1 A 21 21 LEU CA C 21 54.565 53.593 0.972 1
1 223 . 10 1 1 A 21 21 LEU CB C 21 41.542 42.392 -0.850 1
1 225 . 10 1 1 A 21 21 LEU N N 21 123.470 122.048 1.422 1
1 226 . 10 1 1 A 22 22 GLN H H 22 8.322 8.983 -0.661 1
1 227 . 10 1 1 A 22 22 GLN HA H 22 4.046 4.466 -0.420 1
1 230 . 10 1 1 A 22 22 GLN C C 22 176.428 177.190 -0.762 1
1 231 . 10 1 1 A 22 22 GLN CA C 22 56.800 56.788 0.012 1
1 232 . 10 1 1 A 22 22 GLN CB C 22 29.116 29.972 -0.856 1
1 234 . 10 1 1 A 22 22 GLN N N 22 120.999 126.112 -5.113 1
1 236 . 10 1 1 A 23 23 MET H H 23 7.958 7.735 0.223 1
1 237 . 10 1 1 A 23 23 MET HA H 23 4.487 4.804 -0.317 1
1 245 . 10 1 1 A 23 23 MET C C 23 176.558 176.576 -0.018 1
1 246 . 10 1 1 A 23 23 MET CA C 23 55.842 54.863 0.979 1
1 247 . 10 1 1 A 23 23 MET CB C 23 32.712 33.417 -0.705 1
1 250 . 10 1 1 A 23 23 MET N N 23 118.950 115.862 3.088 1
1 251 . 10 1 1 A 24 24 GLY H H 24 8.549 7.750 0.799 1
1 252 . 10 1 1 A 24 24 GLY HA2 H 24 4.163 3.667 0.496 1
1 253 . 10 1 1 A 24 24 GLY HA3 H 24 3.919 3.679 0.240 1
1 254 . 10 1 1 A 24 24 GLY C C 24 174.799 175.372 -0.573 1
1 255 . 10 1 1 A 24 24 GLY CA C 24 45.547 46.863 -1.316 1
1 256 . 10 1 1 A 24 24 GLY N N 24 110.724 107.469 3.255 1
1 257 . 10 1 1 A 25 25 GLY H H 25 8.216 8.593 -0.377 1
1 258 . 10 1 1 A 25 25 GLY HA2 H 25 4.455 4.217 0.238 1
1 259 . 10 1 1 A 25 25 GLY HA3 H 25 3.921 4.240 -0.319 1
1 260 . 10 1 1 A 25 25 GLY C C 25 172.658 172.936 -0.278 1
1 261 . 10 1 1 A 25 25 GLY CA C 25 45.087 44.726 0.361 1
1 262 . 10 1 1 A 25 25 GLY N N 25 107.443 113.666 -6.223 1
1 263 . 10 1 1 A 26 26 VAL H H 26 8.726 8.836 -0.110 1
1 264 . 10 1 1 A 26 26 VAL HA H 26 4.533 4.765 -0.232 1
1 272 . 10 1 1 A 26 26 VAL C C 26 172.923 174.765 -1.842 1
1 273 . 10 1 1 A 26 26 VAL CA C 26 59.864 60.984 -1.120 1
1 274 . 10 1 1 A 26 26 VAL CB C 26 35.551 35.257 0.294 1
1 277 . 10 1 1 A 26 26 VAL N N 26 116.467 124.537 -8.070 1
1 278 . 10 1 1 A 27 27 LEU H H 27 8.201 8.885 -0.684 1
1 279 . 10 1 1 A 27 27 LEU HA H 27 5.057 4.995 0.062 1
1 289 . 10 1 1 A 27 27 LEU C C 27 176.746 176.260 0.486 1
1 290 . 10 1 1 A 27 27 LEU CA C 27 53.134 53.772 -0.638 1
1 291 . 10 1 1 A 27 27 LEU CB C 27 42.926 42.719 0.207 1
1 294 . 10 1 1 A 27 27 LEU N N 27 124.428 129.018 -4.590 1
1 295 . 10 1 1 A 28 28 CYS H H 28 8.902 8.824 0.078 1
1 296 . 10 1 1 A 28 28 CYS HA H 28 4.158 4.282 -0.124 1
1 299 . 10 1 1 A 28 28 CYS CA C 28 57.728 57.827 -0.099 1
1 300 . 10 1 1 A 28 28 CYS CB C 28 32.175 28.177 3.998 1
1 301 . 10 1 1 A 28 28 CYS N N 28 127.173 125.248 1.925 1
1 302 . 10 1 1 A 29 29 PRO HA H 29 4.410 4.525 -0.115 1
1 309 . 10 1 1 A 29 29 PRO C C 29 177.459 176.340 1.119 1
1 310 . 10 1 1 A 29 29 PRO CA C 29 62.872 63.905 -1.033 1
1 311 . 10 1 1 A 29 29 PRO CB C 29 32.813 31.705 1.108 1
1 314 . 10 1 1 A 30 30 ARG H H 30 9.132 7.599 1.533 1
1 315 . 10 1 1 A 30 30 ARG HA H 30 4.087 4.405 -0.318 1
1 322 . 10 1 1 A 30 30 ARG CA C 30 55.102 54.744 0.358 1
1 323 . 10 1 1 A 30 30 ARG CB C 30 29.469 29.833 -0.364 1
1 326 . 10 1 1 A 30 30 ARG N N 30 127.589 121.075 6.514 1
1 327 . 10 1 1 A 31 31 PRO HA H 31 4.242 4.286 -0.044 1
1 334 . 10 1 1 A 31 31 PRO C C 31 177.828 178.914 -1.086 1
1 335 . 10 1 1 A 31 31 PRO CA C 31 64.202 65.293 -1.091 1
1 336 . 10 1 1 A 31 31 PRO CB C 31 31.518 31.684 -0.166 1
1 339 . 10 1 1 A 32 32 GLY H H 32 8.773 8.361 0.412 1
1 340 . 10 1 1 A 32 32 GLY HA2 H 32 4.065 3.950 0.115 1
1 341 . 10 1 1 A 32 32 GLY HA3 H 32 3.706 3.950 -0.244 1
1 342 . 10 1 1 A 32 32 GLY C C 32 173.340 174.053 -0.713 1
1 343 . 10 1 1 A 32 32 GLY CA C 32 45.272 46.344 -1.072 1
1 344 . 10 1 1 A 32 32 GLY N N 32 111.942 106.099 5.843 1
1 345 . 10 1 1 A 33 33 CYS H H 33 7.749 7.742 0.007 1
1 346 . 10 1 1 A 33 33 CYS HA H 33 4.528 4.546 -0.018 1
1 349 . 10 1 1 A 33 33 CYS CA C 33 60.515 58.138 2.377 1
1 350 . 10 1 1 A 33 33 CYS CB C 33 29.641 29.198 0.443 1
1 351 . 10 1 1 A 33 33 CYS N N 33 123.343 119.327 4.016 1
1 352 . 10 1 1 A 34 34 GLY H H 34 8.351 8.550 -0.199 1
1 353 . 10 1 1 A 34 34 GLY HA2 H 34 4.120 4.105 0.015 1
1 354 . 10 1 1 A 34 34 GLY HA3 H 34 3.911 4.120 -0.209 1
1 355 . 10 1 1 A 34 34 GLY C C 34 173.849 174.454 -0.605 1
1 356 . 10 1 1 A 34 34 GLY CA C 34 46.225 45.201 1.024 1
1 357 . 10 1 1 A 34 34 GLY N N 34 106.570 113.367 -6.797 1
1 358 . 10 1 1 A 35 35 ALA H H 35 8.591 7.587 1.004 1
1 359 . 10 1 1 A 35 35 ALA HA H 35 4.091 4.094 -0.003 1
1 363 . 10 1 1 A 35 35 ALA C C 35 176.818 178.176 -1.358 1
1 364 . 10 1 1 A 35 35 ALA CA C 35 53.757 53.246 0.511 1
1 365 . 10 1 1 A 35 35 ALA CB C 35 20.271 17.327 2.944 1
1 366 . 10 1 1 A 35 35 ALA N N 35 125.109 120.645 4.464 1
1 367 . 10 1 1 A 36 36 GLY H H 36 8.348 8.076 0.272 1
1 368 . 10 1 1 A 36 36 GLY HA2 H 36 4.412 3.940 0.472 1
1 369 . 10 1 1 A 36 36 GLY HA3 H 36 3.479 3.948 -0.469 1
1 370 . 10 1 1 A 36 36 GLY C C 36 177.324 174.507 2.817 1
1 371 . 10 1 1 A 36 36 GLY CA C 36 45.847 46.467 -0.620 1
1 372 . 10 1 1 A 36 36 GLY N N 36 106.607 105.861 0.746 1
1 373 . 10 1 1 A 37 37 LEU H H 37 8.190 7.509 0.681 1
1 374 . 10 1 1 A 37 37 LEU HA H 37 4.753 4.384 0.369 1
1 384 . 10 1 1 A 37 37 LEU C C 37 177.064 176.025 1.039 1
1 385 . 10 1 1 A 37 37 LEU CB C 37 44.730 43.298 1.432 1
1 389 . 10 1 1 A 37 37 LEU N N 37 123.541 119.674 3.867 1
1 390 . 10 1 1 A 38 38 LEU H H 38 8.210 8.495 -0.285 1
1 391 . 10 1 1 A 38 38 LEU HA H 38 4.981 5.050 -0.069 1
1 401 . 10 1 1 A 38 38 LEU CA C 38 51.755 51.258 0.497 1
1 402 . 10 1 1 A 38 38 LEU CB C 38 42.309 43.952 -1.643 1
1 405 . 10 1 1 A 38 38 LEU N N 38 124.280 121.840 2.440 1
1 406 . 10 1 1 A 39 39 PRO HA H 39 4.600 4.555 0.045 1
1 413 . 10 1 1 A 39 39 PRO C C 39 176.647 176.951 -0.304 1
1 414 . 10 1 1 A 39 39 PRO CA C 39 62.130 62.375 -0.245 1
1 415 . 10 1 1 A 39 39 PRO CB C 39 32.686 32.312 0.374 1
1 418 . 10 1 1 A 40 40 GLU H H 40 8.631 8.420 0.211 1
1 419 . 10 1 1 A 40 40 GLU HA H 40 4.485 4.378 0.107 1
1 424 . 10 1 1 A 40 40 GLU CA C 40 55.067 55.502 -0.435 1
1 425 . 10 1 1 A 40 40 GLU CB C 40 29.310 29.593 -0.283 1
1 426 . 10 1 1 A 40 40 GLU N N 40 122.240 120.082 2.158 1
1 427 . 10 1 1 A 41 41 PRO HA H 41 3.869 4.408 -0.539 1
1 434 . 10 1 1 A 41 41 PRO C C 41 176.908 175.870 1.038 1
1 435 . 10 1 1 A 41 41 PRO CA C 41 64.772 63.851 0.921 1
1 436 . 10 1 1 A 41 41 PRO CB C 41 32.172 30.883 1.289 1
1 439 . 10 1 1 A 42 42 ASP H H 42 8.486 7.921 0.565 1
1 440 . 10 1 1 A 42 42 ASP HA H 42 4.456 4.829 -0.373 1
1 443 . 10 1 1 A 42 42 ASP C C 42 175.265 176.124 -0.859 1
1 444 . 10 1 1 A 42 42 ASP CA C 42 54.480 53.066 1.414 1
1 445 . 10 1 1 A 42 42 ASP CB C 42 40.139 41.925 -1.786 1
1 446 . 10 1 1 A 42 42 ASP N N 42 114.895 120.442 -5.547 1
1 447 . 10 1 1 A 43 43 GLN H H 43 7.280 8.851 -1.571 1
1 448 . 10 1 1 A 43 43 GLN HA H 43 4.420 3.971 0.449 1
1 455 . 10 1 1 A 43 43 GLN CA C 43 54.877 58.142 -3.265 1
1 456 . 10 1 1 A 43 43 GLN CB C 43 30.219 28.021 2.198 1
1 458 . 10 1 1 A 43 43 GLN N N 43 118.523 124.336 -5.813 1
1 460 . 10 1 1 A 44 44 ARG H H 44 8.207 7.759 0.448 1
1 461 . 10 1 1 A 44 44 ARG HA H 44 4.206 4.074 0.132 1
1 468 . 10 1 1 A 44 44 ARG C C 44 175.581 176.712 -1.131 1
1 469 . 10 1 1 A 44 44 ARG CA C 44 58.285 59.093 -0.808 1
1 470 . 10 1 1 A 44 44 ARG CB C 44 32.175 30.103 2.072 1
1 473 . 10 1 1 A 44 44 ARG N N 44 120.127 118.718 1.409 1
1 474 . 10 1 1 A 45 45 LYS H H 45 7.909 7.271 0.638 1
1 475 . 10 1 1 A 45 45 LYS HA H 45 3.985 4.665 -0.680 1
1 484 . 10 1 1 A 45 45 LYS C C 45 174.753 174.246 0.507 1
1 485 . 10 1 1 A 45 45 LYS CA C 45 56.378 55.720 0.658 1
1 486 . 10 1 1 A 45 45 LYS CB C 45 32.190 35.353 -3.163 1
1 490 . 10 1 1 A 45 45 LYS N N 45 118.935 118.209 0.726 1
1 491 . 10 1 1 A 46 46 VAL H H 46 8.574 8.626 -0.052 1
1 492 . 10 1 1 A 46 46 VAL HA H 46 3.870 4.826 -0.956 1
1 500 . 10 1 1 A 46 46 VAL C C 46 173.589 173.842 -0.253 1
1 501 . 10 1 1 A 46 46 VAL CA C 46 60.777 59.770 1.007 1
1 502 . 10 1 1 A 46 46 VAL CB C 46 32.263 34.195 -1.932 1
1 505 . 10 1 1 A 46 46 VAL N N 46 130.468 120.944 9.524 1
1 506 . 10 1 1 A 47 47 THR H H 47 8.098 8.858 -0.760 1
1 507 . 10 1 1 A 47 47 THR HA H 47 4.864 4.410 0.454 1
1 512 . 10 1 1 A 47 47 THR C C 47 173.666 175.331 -1.665 1
1 513 . 10 1 1 A 47 47 THR CA C 47 61.070 62.358 -1.288 1
1 514 . 10 1 1 A 47 47 THR CB C 47 69.693 69.169 0.524 1
1 516 . 10 1 1 A 47 47 THR N N 47 120.392 121.578 -1.186 1
1 517 . 10 1 1 A 48 48 CYS H H 48 8.928 9.350 -0.422 1
1 518 . 10 1 1 A 48 48 CYS HA H 48 4.581 4.473 0.108 1
1 521 . 10 1 1 A 48 48 CYS C C 48 174.212 175.549 -1.337 1
1 522 . 10 1 1 A 48 48 CYS CA C 48 59.848 62.292 -2.444 1
1 523 . 10 1 1 A 48 48 CYS CB C 48 29.425 27.494 1.931 1
1 524 . 10 1 1 A 48 48 CYS N N 48 130.472 126.018 4.454 1
1 525 . 10 1 1 A 49 49 GLU H H 49 7.552 7.701 -0.149 1
1 526 . 10 1 1 A 49 49 GLU HA H 49 4.647 4.422 0.225 1
1 531 . 10 1 1 A 49 49 GLU C C 49 175.297 176.808 -1.511 1
1 532 . 10 1 1 A 49 49 GLU CA C 49 55.852 57.439 -1.587 1
1 533 . 10 1 1 A 49 49 GLU CB C 49 31.404 30.685 0.719 1
1 535 . 10 1 1 A 49 49 GLU N N 49 128.705 121.451 7.254 1
1 536 . 10 1 1 A 50 50 GLY H H 50 8.459 8.466 -0.007 1
1 537 . 10 1 1 A 50 50 GLY HA2 H 50 4.128 4.042 0.086 1
1 538 . 10 1 1 A 50 50 GLY HA3 H 50 3.916 4.049 -0.133 1
1 539 . 10 1 1 A 50 50 GLY C C 50 174.247 174.172 0.075 1
1 540 . 10 1 1 A 50 50 GLY CA C 50 45.243 44.529 0.714 1
1 541 . 10 1 1 A 50 50 GLY N N 50 109.953 109.043 0.910 1
1 542 . 10 1 1 A 51 51 GLY H H 51 8.548 8.593 -0.045 1
1 543 . 10 1 1 A 51 51 GLY HA2 H 51 3.991 3.925 0.066 1
1 544 . 10 1 1 A 51 51 GLY HA3 H 51 3.991 3.929 0.062 1
1 545 . 10 1 1 A 51 51 GLY C C 51 174.381 175.371 -0.990 1
1 546 . 10 1 1 A 51 51 GLY CA C 51 45.714 46.481 -0.767 1
1 547 . 10 1 1 A 51 51 GLY N N 51 109.074 108.861 0.213 1
1 548 . 10 1 1 A 52 52 ASN H H 52 8.740 8.986 -0.246 1
1 549 . 10 1 1 A 52 52 ASN HA H 52 4.566 4.554 0.012 1
1 554 . 10 1 1 A 52 52 ASN C C 52 175.686 176.744 -1.058 1
1 555 . 10 1 1 A 52 52 ASN CA C 52 53.618 56.069 -2.451 1
1 556 . 10 1 1 A 52 52 ASN CB C 52 38.009 38.768 -0.759 1
1 557 . 10 1 1 A 52 52 ASN N N 52 118.415 123.535 -5.120 1
1 559 . 10 1 1 A 53 53 GLY H H 53 8.367 7.322 1.045 1
1 560 . 10 1 1 A 53 53 GLY HA2 H 53 4.101 4.153 -0.052 1
1 561 . 10 1 1 A 53 53 GLY HA3 H 53 3.808 4.155 -0.347 1
1 562 . 10 1 1 A 53 53 GLY C C 53 174.323 173.762 0.561 1
1 563 . 10 1 1 A 53 53 GLY CA C 53 45.675 45.635 0.040 1
1 564 . 10 1 1 A 53 53 GLY N N 53 107.419 105.140 2.279 1
1 565 . 10 1 1 A 54 54 LEU H H 54 7.703 7.500 0.203 1
1 566 . 10 1 1 A 54 54 LEU HA H 54 4.405 5.047 -0.642 1
1 576 . 10 1 1 A 54 54 LEU C C 54 177.359 176.334 1.025 1
1 577 . 10 1 1 A 54 54 LEU CA C 54 55.162 53.495 1.667 1
1 578 . 10 1 1 A 54 54 LEU CB C 54 42.742 44.764 -2.022 1
1 582 . 10 1 1 A 54 54 LEU N N 54 121.020 120.888 0.132 1
1 583 . 10 1 1 A 55 55 GLY H H 55 8.265 8.407 -0.142 1
1 584 . 10 1 1 A 55 55 GLY HA2 H 55 4.112 4.171 -0.059 1
1 585 . 10 1 1 A 55 55 GLY HA3 H 55 4.112 4.183 -0.071 1
1 586 . 10 1 1 A 55 55 GLY C C 55 174.453 174.380 0.073 1
1 587 . 10 1 1 A 55 55 GLY CA C 55 45.438 45.837 -0.399 1
1 588 . 10 1 1 A 55 55 GLY N N 55 109.910 108.529 1.381 1
1 589 . 10 1 1 A 56 56 CYS H H 56 10.071 8.794 1.277 1
1 590 . 10 1 1 A 56 56 CYS HA H 56 4.928 4.339 0.589 1
1 593 . 10 1 1 A 56 56 CYS C C 56 177.993 175.327 2.666 1
1 594 . 10 1 1 A 56 56 CYS CA C 56 59.541 60.100 -0.559 1
1 595 . 10 1 1 A 56 56 CYS CB C 56 32.099 27.995 4.104 1
1 596 . 10 1 1 A 56 56 CYS N N 56 124.504 123.562 0.942 1
1 597 . 10 1 1 A 57 57 GLY H H 57 9.174 8.443 0.731 1
1 598 . 10 1 1 A 57 57 GLY HA2 H 57 4.313 3.931 0.382 1
1 599 . 10 1 1 A 57 57 GLY HA3 H 57 3.668 3.944 -0.276 1
1 600 . 10 1 1 A 57 57 GLY C C 57 173.686 173.857 -0.171 1
1 601 . 10 1 1 A 57 57 GLY CA C 57 45.860 45.358 0.502 1
1 602 . 10 1 1 A 57 57 GLY N N 57 114.428 108.453 5.975 1
1 603 . 10 1 1 A 58 58 PHE H H 58 9.036 7.795 1.241 1
1 604 . 10 1 1 A 58 58 PHE HA H 58 4.623 4.828 -0.205 1
1 611 . 10 1 1 A 58 58 PHE C C 58 173.896 174.240 -0.344 1
1 612 . 10 1 1 A 58 58 PHE CA C 58 58.969 56.125 2.844 1
1 613 . 10 1 1 A 58 58 PHE CB C 58 41.132 41.265 -0.133 1
1 614 . 10 1 1 A 58 58 PHE N N 58 125.130 120.115 5.015 1
1 615 . 10 1 1 A 59 59 ALA H H 59 7.570 8.416 -0.846 1
1 616 . 10 1 1 A 59 59 ALA HA H 59 5.486 4.841 0.645 1
1 620 . 10 1 1 A 59 59 ALA C C 59 176.469 177.461 -0.992 1
1 621 . 10 1 1 A 59 59 ALA CA C 59 49.817 52.647 -2.830 1
1 622 . 10 1 1 A 59 59 ALA CB C 59 19.826 19.265 0.561 1
1 623 . 10 1 1 A 59 59 ALA N N 59 128.638 129.522 -0.884 1
1 624 . 10 1 1 A 60 60 PHE H H 60 9.387 8.275 1.112 1
1 625 . 10 1 1 A 60 60 PHE HA H 60 5.204 5.568 -0.364 1
1 632 . 10 1 1 A 60 60 PHE C C 60 172.955 172.362 0.593 1
1 633 . 10 1 1 A 60 60 PHE CA C 60 54.353 55.446 -1.093 1
1 634 . 10 1 1 A 60 60 PHE CB C 60 42.246 41.712 0.534 1
1 637 . 10 1 1 A 60 60 PHE N N 60 121.410 115.656 5.754 1
1 638 . 10 1 1 A 61 61 CYS H H 61 8.772 8.999 -0.227 1
1 639 . 10 1 1 A 61 61 CYS HA H 61 4.754 4.798 -0.044 1
1 642 . 10 1 1 A 61 61 CYS C C 61 177.353 175.892 1.461 1
1 643 . 10 1 1 A 61 61 CYS CA C 61 58.032 57.226 0.806 1
1 644 . 10 1 1 A 61 61 CYS CB C 61 32.242 29.502 2.740 1
1 645 . 10 1 1 A 61 61 CYS N N 61 120.610 120.320 0.290 1
1 646 . 10 1 1 A 62 62 ARG H H 62 9.535 8.680 0.855 1
1 647 . 10 1 1 A 62 62 ARG HA H 62 4.027 4.236 -0.209 1
1 654 . 10 1 1 A 62 62 ARG C C 62 175.657 178.601 -2.944 1
1 655 . 10 1 1 A 62 62 ARG CA C 62 59.330 58.471 0.859 1
1 656 . 10 1 1 A 62 62 ARG CB C 62 31.196 29.874 1.322 1
1 659 . 10 1 1 A 62 62 ARG N N 62 130.041 126.944 3.097 1
1 660 . 10 1 1 A 63 63 GLU H H 63 8.721 7.322 1.399 1
1 661 . 10 1 1 A 63 63 GLU HA H 63 4.394 4.124 0.270 1
1 666 . 10 1 1 A 63 63 GLU C C 63 177.341 178.341 -1.000 1
1 667 . 10 1 1 A 63 63 GLU CA C 63 58.404 59.124 -0.720 1
1 668 . 10 1 1 A 63 63 GLU CB C 63 30.501 30.200 0.301 1
1 670 . 10 1 1 A 63 63 GLU N N 63 118.534 119.557 -1.023 1
1 671 . 10 1 1 A 64 64 CYS H H 64 8.050 7.893 0.157 1
1 672 . 10 1 1 A 64 64 CYS HA H 64 4.962 4.667 0.295 1
1 675 . 10 1 1 A 64 64 CYS C C 64 176.019 175.317 0.702 1
1 676 . 10 1 1 A 64 64 CYS CA C 64 58.858 57.965 0.893 1
1 677 . 10 1 1 A 64 64 CYS CB C 64 32.103 27.661 4.442 1
1 678 . 10 1 1 A 64 64 CYS N N 64 116.495 115.156 1.339 1
1 679 . 10 1 1 A 65 65 LYS H H 65 8.489 8.184 0.305 1
1 680 . 10 1 1 A 65 65 LYS HA H 65 4.191 4.460 -0.269 1
1 687 . 10 1 1 A 65 65 LYS C C 65 174.742 175.419 -0.677 1
1 688 . 10 1 1 A 65 65 LYS CA C 65 58.883 57.279 1.604 1
1 689 . 10 1 1 A 65 65 LYS CB C 65 28.865 30.230 -1.365 1
1 693 . 10 1 1 A 65 65 LYS N N 65 117.320 120.141 -2.821 1
1 694 . 10 1 1 A 66 66 GLU H H 66 8.272 7.464 0.808 1
1 695 . 10 1 1 A 66 66 GLU HA H 66 4.721 5.008 -0.287 1
1 700 . 10 1 1 A 66 66 GLU C C 66 175.422 175.951 -0.529 1
1 701 . 10 1 1 A 66 66 GLU CA C 66 55.285 54.488 0.797 1
1 702 . 10 1 1 A 66 66 GLU CB C 66 31.666 33.312 -1.646 1
1 704 . 10 1 1 A 66 66 GLU N N 66 117.719 119.406 -1.687 1
1 705 . 10 1 1 A 67 67 ALA H H 67 8.766 8.601 0.165 1
1 706 . 10 1 1 A 67 67 ALA HA H 67 4.177 4.586 -0.409 1
1 710 . 10 1 1 A 67 67 ALA C C 67 177.459 177.274 0.185 1
1 711 . 10 1 1 A 67 67 ALA CA C 67 53.019 53.236 -0.217 1
1 712 . 10 1 1 A 67 67 ALA CB C 67 18.548 19.060 -0.512 1
1 713 . 10 1 1 A 67 67 ALA N N 67 120.597 124.610 -4.013 1
1 714 . 10 1 1 A 68 68 TYR H H 68 8.061 9.134 -1.073 1
1 715 . 10 1 1 A 68 68 TYR HA H 68 4.531 4.294 0.237 1
1 722 . 10 1 1 A 68 68 TYR CA C 68 58.242 59.075 -0.833 1
1 723 . 10 1 1 A 68 68 TYR CB C 68 38.531 39.204 -0.673 1
1 728 . 10 1 1 A 68 68 TYR N N 68 120.592 123.461 -2.869 1
1 729 . 10 1 1 A 69 69 HIS HA H 69 4.643 4.805 -0.162 1
1 734 . 10 1 1 A 69 69 HIS C C 69 173.158 175.436 -2.278 1
1 735 . 10 1 1 A 69 69 HIS CA C 69 51.310 57.519 -6.209 1
1 736 . 10 1 1 A 69 69 HIS CB C 69 32.038 30.889 1.149 1
1 739 . 10 1 1 A 70 70 GLU H H 70 8.796 7.905 0.891 1
1 740 . 10 1 1 A 70 70 GLU HA H 70 4.238 4.094 0.144 1
1 745 . 10 1 1 A 70 70 GLU C C 70 178.838 176.198 2.640 1
1 746 . 10 1 1 A 70 70 GLU CA C 70 55.450 57.425 -1.975 1
1 747 . 10 1 1 A 70 70 GLU CB C 70 30.527 28.911 1.616 1
1 749 . 10 1 1 A 70 70 GLU N N 70 120.194 119.246 0.948 1
1 750 . 10 1 1 A 71 71 GLY H H 71 8.876 8.200 0.676 1
1 751 . 10 1 1 A 71 71 GLY HA2 H 71 4.082 4.131 -0.049 1
1 752 . 10 1 1 A 71 71 GLY HA3 H 71 3.910 4.139 -0.229 1
1 753 . 10 1 1 A 71 71 GLY C C 71 173.634 173.535 0.099 1
1 754 . 10 1 1 A 71 71 GLY CA C 71 45.615 46.204 -0.589 1
1 755 . 10 1 1 A 71 71 GLY N N 71 111.118 106.183 4.935 1
1 756 . 10 1 1 A 72 72 GLU H H 72 8.391 7.492 0.899 1
1 757 . 10 1 1 A 72 72 GLU HA H 72 4.360 4.624 -0.264 1
1 762 . 10 1 1 A 72 72 GLU C C 72 177.319 175.438 1.881 1
1 763 . 10 1 1 A 72 72 GLU CA C 72 56.571 56.154 0.417 1
1 764 . 10 1 1 A 72 72 GLU CB C 72 30.411 33.588 -3.177 1
1 766 . 10 1 1 A 72 72 GLU N N 72 118.939 116.921 2.018 1
1 767 . 10 1 1 A 73 73 CYS H H 73 8.574 8.808 -0.234 1
1 768 . 10 1 1 A 73 73 CYS HA H 73 3.770 3.677 0.093 1
1 771 . 10 1 1 A 73 73 CYS C C 73 176.052 175.837 0.215 1
1 772 . 10 1 1 A 73 73 CYS CA C 73 60.416 61.038 -0.622 1
1 773 . 10 1 1 A 73 73 CYS CB C 73 30.793 26.866 3.927 1
1 774 . 10 1 1 A 73 73 CYS N N 73 123.479 122.185 1.294 1
1 775 . 10 1 1 A 74 74 SER H H 74 8.541 7.874 0.667 1
1 776 . 10 1 1 A 74 74 SER HA H 74 4.288 4.447 -0.159 1
1 779 . 10 1 1 A 74 74 SER C C 74 174.140 172.755 1.385 1
1 780 . 10 1 1 A 74 74 SER CA C 74 58.591 58.686 -0.095 1
1 781 . 10 1 1 A 74 74 SER CB C 74 63.626 63.308 0.318 1
1 782 . 10 1 1 A 74 74 SER N N 74 117.297 113.270 4.027 1
1 783 . 10 1 1 A 75 75 ALA H H 75 8.092 7.853 0.239 1
1 784 . 10 1 1 A 75 75 ALA HA H 75 4.312 4.841 -0.529 1
1 788 . 10 1 1 A 75 75 ALA C C 75 177.173 175.669 1.504 1
1 789 . 10 1 1 A 75 75 ALA CA C 75 52.403 50.360 2.043 1
1 790 . 10 1 1 A 75 75 ALA CB C 75 19.546 21.926 -2.380 1
1 791 . 10 1 1 A 75 75 ALA N N 75 125.952 123.857 2.095 1
1 792 . 10 1 1 A 76 76 VAL H H 76 7.934 8.901 -0.967 1
1 793 . 10 1 1 A 76 76 VAL HA H 76 4.028 4.586 -0.558 1
1 801 . 10 1 1 A 76 76 VAL C C 76 175.784 175.131 0.653 1
1 802 . 10 1 1 A 76 76 VAL CA C 76 62.265 61.123 1.142 1
1 803 . 10 1 1 A 76 76 VAL CB C 76 32.893 34.239 -1.346 1
1 806 . 10 1 1 A 76 76 VAL N N 76 118.959 121.739 -2.780 1
1 807 . 10 1 1 A 77 77 PHE H H 77 8.283 8.971 -0.688 1
1 808 . 10 1 1 A 77 77 PHE HA H 77 4.670 4.563 0.107 1
1 813 . 10 1 1 A 77 77 PHE C C 77 175.335 174.927 0.408 1
1 814 . 10 1 1 A 77 77 PHE CA C 77 57.588 58.087 -0.499 1
1 815 . 10 1 1 A 77 77 PHE CB C 77 39.899 38.695 1.204 1
1 818 . 10 1 1 A 77 77 PHE N N 77 124.298 127.168 -2.870 1
1 819 . 10 1 1 A 78 78 GLU H H 78 8.262 8.305 -0.043 1
1 820 . 10 1 1 A 78 78 GLU HA H 78 4.251 4.630 -0.379 1
1 825 . 10 1 1 A 78 78 GLU C C 78 175.451 176.039 -0.588 1
1 826 . 10 1 1 A 78 78 GLU CA C 78 56.179 56.208 -0.029 1
1 827 . 10 1 1 A 78 78 GLU CB C 78 30.676 30.103 0.573 1
1 829 . 10 1 1 A 78 78 GLU N N 78 123.482 124.532 -1.050 1
1 830 . 10 1 1 A 79 79 ALA H H 79 8.279 8.700 -0.421 1
1 831 . 10 1 1 A 79 79 ALA HA H 79 4.341 4.643 -0.302 1
1 835 . 10 1 1 A 79 79 ALA C C 79 176.767 177.360 -0.593 1
1 836 . 10 1 1 A 79 79 ALA CA C 79 52.512 51.883 0.629 1
1 837 . 10 1 1 A 79 79 ALA CB C 79 19.493 19.517 -0.024 1
1 838 . 10 1 1 A 79 79 ALA N N 79 126.363 128.835 -2.472 1
1 6 . 11 1 1 A 2 2 HIS H H 2 7.929 8.697 -0.768 1
1 9 . 11 1 1 A 2 2 HIS CB C 2 31.017 30.169 0.848 1
1 12 . 11 1 1 A 2 2 HIS N N 2 118.946 122.417 -3.471 1
1 13 . 11 1 1 A 3 3 MET HA H 3 4.537 4.769 -0.232 1
1 16 . 11 1 1 A 3 3 MET C C 3 176.240 174.857 1.383 1
1 17 . 11 1 1 A 3 3 MET CA C 3 55.681 53.999 1.682 1
1 18 . 11 1 1 A 3 3 MET CB C 3 33.063 35.889 -2.826 1
1 20 . 11 1 1 A 4 4 GLY H H 4 8.155 8.475 -0.320 1
1 21 . 11 1 1 A 4 4 GLY HA2 H 4 4.031 3.673 0.358 1
1 22 . 11 1 1 A 4 4 GLY HA3 H 4 4.031 3.892 0.139 1
1 23 . 11 1 1 A 4 4 GLY C C 4 174.348 173.357 0.991 1
1 24 . 11 1 1 A 4 4 GLY CA C 4 45.418 45.634 -0.216 1
1 25 . 11 1 1 A 4 4 GLY N N 4 108.673 112.843 -4.170 1
1 26 . 11 1 1 A 5 5 GLU H H 5 8.351 8.300 0.051 1
1 27 . 11 1 1 A 5 5 GLU HA H 5 4.275 4.475 -0.200 1
1 32 . 11 1 1 A 5 5 GLU C C 5 177.037 177.253 -0.216 1
1 33 . 11 1 1 A 5 5 GLU CA C 5 57.098 55.440 1.658 1
1 34 . 11 1 1 A 5 5 GLU CB C 5 30.282 31.682 -1.400 1
1 36 . 11 1 1 A 5 5 GLU N N 5 120.605 123.573 -2.968 1
1 37 . 11 1 1 A 6 6 GLU H H 6 8.641 8.979 -0.338 1
1 38 . 11 1 1 A 6 6 GLU HA H 6 4.248 3.948 0.300 1
1 43 . 11 1 1 A 6 6 GLU C C 6 176.799 176.390 0.409 1
1 44 . 11 1 1 A 6 6 GLU CA C 6 57.344 60.328 -2.984 1
1 45 . 11 1 1 A 6 6 GLU CB C 6 29.842 30.059 -0.217 1
1 47 . 11 1 1 A 6 6 GLU N N 6 121.425 124.356 -2.931 1
1 48 . 11 1 1 A 7 7 GLN H H 7 8.304 7.781 0.523 1
1 53 . 11 1 1 A 7 7 GLN C C 7 175.537 174.576 0.961 1
1 54 . 11 1 1 A 7 7 GLN CA C 7 56.292 54.961 1.331 1
1 55 . 11 1 1 A 7 7 GLN CB C 7 29.164 29.764 -0.600 1
1 57 . 11 1 1 A 7 7 GLN N N 7 120.185 115.920 4.265 1
1 59 . 11 1 1 A 8 8 TYR H H 8 8.221 9.103 -0.882 1
1 60 . 11 1 1 A 8 8 TYR HA H 8 4.606 4.747 -0.141 1
1 67 . 11 1 1 A 8 8 TYR C C 8 175.728 174.337 1.391 1
1 68 . 11 1 1 A 8 8 TYR CA C 8 58.138 57.858 0.280 1
1 69 . 11 1 1 A 8 8 TYR CB C 8 38.766 41.484 -2.718 1
1 70 . 11 1 1 A 8 8 TYR N N 8 120.918 124.099 -3.181 1
1 71 . 11 1 1 A 9 9 ASN H H 9 8.288 7.946 0.342 1
1 72 . 11 1 1 A 9 9 ASN HA H 9 4.654 4.095 0.559 1
1 77 . 11 1 1 A 9 9 ASN C C 9 175.439 174.527 0.912 1
1 78 . 11 1 1 A 9 9 ASN CA C 9 53.435 53.910 -0.475 1
1 79 . 11 1 1 A 9 9 ASN CB C 9 38.790 36.890 1.900 1
1 80 . 11 1 1 A 9 9 ASN N N 9 120.180 120.359 -0.179 1
1 82 . 11 1 1 A 10 10 ARG H H 10 8.128 8.006 0.122 1
1 83 . 11 1 1 A 10 10 ARG HA H 10 4.171 4.219 -0.048 1
1 90 . 11 1 1 A 10 10 ARG C C 10 176.244 175.899 0.345 1
1 91 . 11 1 1 A 10 10 ARG CA C 10 57.023 55.624 1.399 1
1 92 . 11 1 1 A 10 10 ARG CB C 10 30.535 30.886 -0.351 1
1 95 . 11 1 1 A 10 10 ARG N N 10 121.014 118.833 2.181 1
1 96 . 11 1 1 A 11 11 TYR H H 11 8.108 8.791 -0.683 1
1 97 . 11 1 1 A 11 11 TYR HA H 11 4.543 4.812 -0.269 1
1 104 . 11 1 1 A 11 11 TYR C C 11 175.929 175.637 0.292 1
1 105 . 11 1 1 A 11 11 TYR CA C 11 58.219 56.709 1.510 1
1 106 . 11 1 1 A 11 11 TYR CB C 11 38.365 42.507 -4.142 1
1 107 . 11 1 1 A 11 11 TYR N N 11 119.776 122.211 -2.435 1
1 108 . 11 1 1 A 12 12 GLN H H 12 8.050 8.855 -0.805 1
1 109 . 11 1 1 A 12 12 GLN HA H 12 4.269 4.371 -0.102 1
1 116 . 11 1 1 A 12 12 GLN C C 12 175.917 176.518 -0.601 1
1 117 . 11 1 1 A 12 12 GLN CA C 12 56.240 58.182 -1.942 1
1 118 . 11 1 1 A 12 12 GLN CB C 12 29.463 29.881 -0.418 1
1 120 . 11 1 1 A 12 12 GLN N N 12 120.992 121.785 -0.793 1
1 122 . 11 1 1 A 13 13 GLN H H 13 8.065 7.879 0.186 1
1 123 . 11 1 1 A 13 13 GLN HA H 13 4.202 4.731 -0.529 1
1 130 . 11 1 1 A 13 13 GLN C C 13 175.644 175.260 0.384 1
1 131 . 11 1 1 A 13 13 GLN CA C 13 56.242 54.682 1.560 1
1 132 . 11 1 1 A 13 13 GLN CB C 13 29.394 30.267 -0.873 1
1 134 . 11 1 1 A 13 13 GLN N N 13 120.539 117.024 3.515 1
1 136 . 11 1 1 A 14 14 TYR H H 14 8.212 8.775 -0.563 1
1 137 . 11 1 1 A 14 14 TYR HA H 14 4.572 4.718 -0.146 1
1 144 . 11 1 1 A 14 14 TYR C C 14 176.382 175.884 0.498 1
1 145 . 11 1 1 A 14 14 TYR CA C 14 57.958 57.914 0.044 1
1 146 . 11 1 1 A 14 14 TYR CB C 14 38.983 38.655 0.328 1
1 151 . 11 1 1 A 14 14 TYR N N 14 120.582 119.602 0.980 1
1 152 . 11 1 1 A 15 15 GLY H H 15 8.405 8.384 0.021 1
1 153 . 11 1 1 A 15 15 GLY HA2 H 15 3.933 3.864 0.069 1
1 154 . 11 1 1 A 15 15 GLY HA3 H 15 3.933 3.892 0.041 1
1 155 . 11 1 1 A 15 15 GLY C C 15 173.776 173.359 0.417 1
1 156 . 11 1 1 A 15 15 GLY CA C 15 45.407 44.421 0.986 1
1 157 . 11 1 1 A 15 15 GLY N N 15 110.724 111.246 -0.522 1
1 158 . 11 1 1 A 16 16 ALA H H 16 8.160 8.395 -0.235 1
1 159 . 11 1 1 A 16 16 ALA HA H 16 4.302 4.886 -0.584 1
1 163 . 11 1 1 A 16 16 ALA C C 16 178.147 177.113 1.034 1
1 164 . 11 1 1 A 16 16 ALA CA C 16 53.034 51.180 1.854 1
1 165 . 11 1 1 A 16 16 ALA CB C 16 19.392 22.279 -2.887 1
1 166 . 11 1 1 A 16 16 ALA N N 16 123.489 123.814 -0.325 1
1 167 . 11 1 1 A 17 17 GLU H H 17 8.612 8.578 0.034 1
1 168 . 11 1 1 A 17 17 GLU HA H 17 4.169 4.317 -0.148 1
1 173 . 11 1 1 A 17 17 GLU C C 17 177.000 176.971 0.029 1
1 174 . 11 1 1 A 17 17 GLU CA C 17 57.837 58.802 -0.965 1
1 175 . 11 1 1 A 17 17 GLU CB C 17 29.881 30.304 -0.423 1
1 177 . 11 1 1 A 17 17 GLU N N 17 119.373 121.978 -2.605 1
1 178 . 11 1 1 A 18 18 GLU H H 18 8.413 7.559 0.854 1
1 179 . 11 1 1 A 18 18 GLU HA H 18 4.210 4.327 -0.117 1
1 184 . 11 1 1 A 18 18 GLU C C 18 177.015 176.213 0.802 1
1 185 . 11 1 1 A 18 18 GLU CA C 18 57.641 56.704 0.937 1
1 186 . 11 1 1 A 18 18 GLU CB C 18 29.980 29.944 0.036 1
1 188 . 11 1 1 A 18 18 GLU N N 18 120.184 117.524 2.660 1
1 189 . 11 1 1 A 19 19 CYS H H 19 8.253 8.586 -0.333 1
1 190 . 11 1 1 A 19 19 CYS HA H 19 4.381 4.970 -0.589 1
1 193 . 11 1 1 A 19 19 CYS C C 19 175.552 173.500 2.052 1
1 194 . 11 1 1 A 19 19 CYS CA C 19 59.819 58.347 1.472 1
1 195 . 11 1 1 A 19 19 CYS CB C 19 27.554 30.698 -3.144 1
1 196 . 11 1 1 A 19 19 CYS N N 19 119.775 121.471 -1.696 1
1 197 . 11 1 1 A 20 20 VAL H H 20 8.051 8.607 -0.556 1
1 198 . 11 1 1 A 20 20 VAL HA H 20 3.939 3.726 0.213 1
1 206 . 11 1 1 A 20 20 VAL C C 20 173.904 175.597 -1.693 1
1 207 . 11 1 1 A 20 20 VAL CA C 20 64.113 63.098 1.015 1
1 208 . 11 1 1 A 20 20 VAL CB C 20 32.316 29.822 2.494 1
1 211 . 11 1 1 A 20 20 VAL N N 20 121.008 119.369 1.639 1
1 212 . 11 1 1 A 21 21 LEU H H 21 8.190 7.606 0.584 1
1 213 . 11 1 1 A 21 21 LEU HA H 21 4.648 4.287 0.361 1
1 222 . 11 1 1 A 21 21 LEU CA C 21 54.565 56.246 -1.681 1
1 223 . 11 1 1 A 21 21 LEU CB C 21 41.542 43.160 -1.618 1
1 225 . 11 1 1 A 21 21 LEU N N 21 123.470 121.737 1.733 1
1 226 . 11 1 1 A 22 22 GLN H H 22 8.322 7.905 0.417 1
1 227 . 11 1 1 A 22 22 GLN HA H 22 4.046 4.601 -0.555 1
1 230 . 11 1 1 A 22 22 GLN C C 22 176.428 175.905 0.523 1
1 231 . 11 1 1 A 22 22 GLN CA C 22 56.800 54.300 2.500 1
1 232 . 11 1 1 A 22 22 GLN CB C 22 29.116 31.040 -1.924 1
1 234 . 11 1 1 A 22 22 GLN N N 22 120.999 117.151 3.848 1
1 236 . 11 1 1 A 23 23 MET H H 23 7.958 9.069 -1.111 1
1 237 . 11 1 1 A 23 23 MET HA H 23 4.487 4.141 0.346 1
1 245 . 11 1 1 A 23 23 MET C C 23 176.558 177.380 -0.822 1
1 246 . 11 1 1 A 23 23 MET CA C 23 55.842 58.103 -2.261 1
1 247 . 11 1 1 A 23 23 MET CB C 23 32.712 32.238 0.474 1
1 250 . 11 1 1 A 23 23 MET N N 23 118.950 123.595 -4.645 1
1 251 . 11 1 1 A 24 24 GLY H H 24 8.549 7.910 0.639 1
1 252 . 11 1 1 A 24 24 GLY HA2 H 24 4.163 3.797 0.366 1
1 253 . 11 1 1 A 24 24 GLY HA3 H 24 3.919 3.801 0.118 1
1 254 . 11 1 1 A 24 24 GLY C C 24 174.799 175.633 -0.834 1
1 255 . 11 1 1 A 24 24 GLY CA C 24 45.547 46.160 -0.613 1
1 256 . 11 1 1 A 24 24 GLY N N 24 110.724 107.747 2.977 1
1 257 . 11 1 1 A 25 25 GLY H H 25 8.216 8.849 -0.633 1
1 258 . 11 1 1 A 25 25 GLY HA2 H 25 4.455 3.898 0.557 1
1 259 . 11 1 1 A 25 25 GLY HA3 H 25 3.921 3.905 0.016 1
1 260 . 11 1 1 A 25 25 GLY C C 25 172.658 174.601 -1.943 1
1 261 . 11 1 1 A 25 25 GLY CA C 25 45.087 47.146 -2.059 1
1 262 . 11 1 1 A 25 25 GLY N N 25 107.443 112.349 -4.906 1
1 263 . 11 1 1 A 26 26 VAL H H 26 8.726 7.678 1.048 1
1 264 . 11 1 1 A 26 26 VAL HA H 26 4.533 4.679 -0.146 1
1 272 . 11 1 1 A 26 26 VAL C C 26 172.923 175.580 -2.657 1
1 273 . 11 1 1 A 26 26 VAL CA C 26 59.864 60.939 -1.075 1
1 274 . 11 1 1 A 26 26 VAL CB C 26 35.551 34.540 1.011 1
1 277 . 11 1 1 A 26 26 VAL N N 26 116.467 119.049 -2.582 1
1 278 . 11 1 1 A 27 27 LEU H H 27 8.201 8.784 -0.583 1
1 279 . 11 1 1 A 27 27 LEU HA H 27 5.057 5.066 -0.009 1
1 289 . 11 1 1 A 27 27 LEU C C 27 176.746 175.029 1.717 1
1 290 . 11 1 1 A 27 27 LEU CA C 27 53.134 53.270 -0.136 1
1 291 . 11 1 1 A 27 27 LEU CB C 27 42.926 46.016 -3.090 1
1 294 . 11 1 1 A 27 27 LEU N N 27 124.428 121.382 3.046 1
1 295 . 11 1 1 A 28 28 CYS H H 28 8.902 8.535 0.367 1
1 296 . 11 1 1 A 28 28 CYS HA H 28 4.158 4.274 -0.116 1
1 299 . 11 1 1 A 28 28 CYS CA C 28 57.728 57.572 0.156 1
1 300 . 11 1 1 A 28 28 CYS CB C 28 32.175 28.222 3.953 1
1 301 . 11 1 1 A 28 28 CYS N N 28 127.173 120.214 6.959 1
1 302 . 11 1 1 A 29 29 PRO HA H 29 4.410 4.462 -0.052 1
1 309 . 11 1 1 A 29 29 PRO C C 29 177.459 176.330 1.129 1
1 310 . 11 1 1 A 29 29 PRO CA C 29 62.872 63.678 -0.806 1
1 311 . 11 1 1 A 29 29 PRO CB C 29 32.813 31.709 1.104 1
1 314 . 11 1 1 A 30 30 ARG H H 30 9.132 7.648 1.484 1
1 315 . 11 1 1 A 30 30 ARG HA H 30 4.087 4.433 -0.346 1
1 322 . 11 1 1 A 30 30 ARG CA C 30 55.102 54.331 0.771 1
1 323 . 11 1 1 A 30 30 ARG CB C 30 29.469 29.818 -0.349 1
1 326 . 11 1 1 A 30 30 ARG N N 30 127.589 121.670 5.919 1
1 327 . 11 1 1 A 31 31 PRO HA H 31 4.242 4.310 -0.068 1
1 334 . 11 1 1 A 31 31 PRO C C 31 177.828 178.366 -0.538 1
1 335 . 11 1 1 A 31 31 PRO CA C 31 64.202 65.093 -0.891 1
1 336 . 11 1 1 A 31 31 PRO CB C 31 31.518 31.933 -0.415 1
1 339 . 11 1 1 A 32 32 GLY H H 32 8.773 8.364 0.409 1
1 340 . 11 1 1 A 32 32 GLY HA2 H 32 4.065 3.825 0.240 1
1 341 . 11 1 1 A 32 32 GLY HA3 H 32 3.706 3.826 -0.120 1
1 342 . 11 1 1 A 32 32 GLY C C 32 173.340 175.994 -2.654 1
1 343 . 11 1 1 A 32 32 GLY CA C 32 45.272 46.594 -1.322 1
1 344 . 11 1 1 A 32 32 GLY N N 32 111.942 105.248 6.694 1
1 345 . 11 1 1 A 33 33 CYS H H 33 7.749 8.084 -0.335 1
1 346 . 11 1 1 A 33 33 CYS HA H 33 4.528 4.144 0.384 1
1 349 . 11 1 1 A 33 33 CYS CA C 33 60.515 62.208 -1.693 1
1 350 . 11 1 1 A 33 33 CYS CB C 33 29.641 27.103 2.538 1
1 351 . 11 1 1 A 33 33 CYS N N 33 123.343 120.842 2.501 1
1 352 . 11 1 1 A 34 34 GLY H H 34 8.351 8.067 0.284 1
1 353 . 11 1 1 A 34 34 GLY HA2 H 34 4.120 3.857 0.263 1
1 354 . 11 1 1 A 34 34 GLY HA3 H 34 3.911 3.869 0.042 1
1 355 . 11 1 1 A 34 34 GLY C C 34 173.849 175.251 -1.402 1
1 356 . 11 1 1 A 34 34 GLY CA C 34 46.225 47.199 -0.974 1
1 357 . 11 1 1 A 34 34 GLY N N 34 106.570 108.691 -2.121 1
1 358 . 11 1 1 A 35 35 ALA H H 35 8.591 7.776 0.815 1
1 359 . 11 1 1 A 35 35 ALA HA H 35 4.091 3.997 0.094 1
1 363 . 11 1 1 A 35 35 ALA C C 35 176.818 178.075 -1.257 1
1 364 . 11 1 1 A 35 35 ALA CA C 35 53.757 55.335 -1.578 1
1 365 . 11 1 1 A 35 35 ALA CB C 35 20.271 18.678 1.593 1
1 366 . 11 1 1 A 35 35 ALA N N 35 125.109 123.150 1.959 1
1 367 . 11 1 1 A 36 36 GLY H H 36 8.348 8.341 0.007 1
1 368 . 11 1 1 A 36 36 GLY HA2 H 36 4.412 3.935 0.477 1
1 369 . 11 1 1 A 36 36 GLY HA3 H 36 3.479 3.939 -0.460 1
1 370 . 11 1 1 A 36 36 GLY C C 36 177.324 173.800 3.524 1
1 371 . 11 1 1 A 36 36 GLY CA C 36 45.847 46.763 -0.916 1
1 372 . 11 1 1 A 36 36 GLY N N 36 106.607 105.971 0.636 1
1 373 . 11 1 1 A 37 37 LEU H H 37 8.190 7.658 0.532 1
1 374 . 11 1 1 A 37 37 LEU HA H 37 4.753 5.019 -0.266 1
1 384 . 11 1 1 A 37 37 LEU C C 37 177.064 174.765 2.299 1
1 385 . 11 1 1 A 37 37 LEU CB C 37 44.730 46.114 -1.384 1
1 389 . 11 1 1 A 37 37 LEU N N 37 123.541 114.974 8.567 1
1 390 . 11 1 1 A 38 38 LEU H H 38 8.210 8.938 -0.728 1
1 391 . 11 1 1 A 38 38 LEU HA H 38 4.981 5.006 -0.025 1
1 401 . 11 1 1 A 38 38 LEU CA C 38 51.755 51.389 0.366 1
1 402 . 11 1 1 A 38 38 LEU CB C 38 42.309 43.670 -1.361 1
1 405 . 11 1 1 A 38 38 LEU N N 38 124.280 123.882 0.398 1
1 406 . 11 1 1 A 39 39 PRO HA H 39 4.600 4.555 0.045 1
1 413 . 11 1 1 A 39 39 PRO C C 39 176.647 176.295 0.352 1
1 414 . 11 1 1 A 39 39 PRO CA C 39 62.130 62.124 0.006 1
1 415 . 11 1 1 A 39 39 PRO CB C 39 32.686 32.908 -0.222 1
1 418 . 11 1 1 A 40 40 GLU H H 40 8.631 8.525 0.106 1
1 419 . 11 1 1 A 40 40 GLU HA H 40 4.485 4.385 0.100 1
1 424 . 11 1 1 A 40 40 GLU CA C 40 55.067 54.867 0.200 1
1 425 . 11 1 1 A 40 40 GLU CB C 40 29.310 28.971 0.339 1
1 426 . 11 1 1 A 40 40 GLU N N 40 122.240 120.181 2.059 1
1 427 . 11 1 1 A 41 41 PRO HA H 41 3.869 4.410 -0.541 1
1 434 . 11 1 1 A 41 41 PRO C C 41 176.908 175.933 0.975 1
1 435 . 11 1 1 A 41 41 PRO CA C 41 64.772 63.836 0.936 1
1 436 . 11 1 1 A 41 41 PRO CB C 41 32.172 30.946 1.226 1
1 439 . 11 1 1 A 42 42 ASP H H 42 8.486 8.019 0.467 1
1 440 . 11 1 1 A 42 42 ASP HA H 42 4.456 4.817 -0.361 1
1 443 . 11 1 1 A 42 42 ASP C C 42 175.265 176.533 -1.268 1
1 444 . 11 1 1 A 42 42 ASP CA C 42 54.480 53.178 1.302 1
1 445 . 11 1 1 A 42 42 ASP CB C 42 40.139 42.284 -2.145 1
1 446 . 11 1 1 A 42 42 ASP N N 42 114.895 121.208 -6.313 1
1 447 . 11 1 1 A 43 43 GLN H H 43 7.280 8.836 -1.556 1
1 448 . 11 1 1 A 43 43 GLN HA H 43 4.420 3.993 0.427 1
1 455 . 11 1 1 A 43 43 GLN CA C 43 54.877 58.004 -3.127 1
1 456 . 11 1 1 A 43 43 GLN CB C 43 30.219 28.008 2.211 1
1 458 . 11 1 1 A 43 43 GLN N N 43 118.523 124.567 -6.044 1
1 460 . 11 1 1 A 44 44 ARG H H 44 8.207 7.652 0.555 1
1 461 . 11 1 1 A 44 44 ARG HA H 44 4.206 4.109 0.097 1
1 468 . 11 1 1 A 44 44 ARG C C 44 175.581 176.672 -1.091 1
1 469 . 11 1 1 A 44 44 ARG CA C 44 58.285 58.781 -0.496 1
1 470 . 11 1 1 A 44 44 ARG CB C 44 32.175 29.998 2.177 1
1 473 . 11 1 1 A 44 44 ARG N N 44 120.127 119.897 0.230 1
1 474 . 11 1 1 A 45 45 LYS H H 45 7.909 7.275 0.634 1
1 475 . 11 1 1 A 45 45 LYS HA H 45 3.985 4.784 -0.799 1
1 484 . 11 1 1 A 45 45 LYS C C 45 174.753 173.889 0.864 1
1 485 . 11 1 1 A 45 45 LYS CA C 45 56.378 55.727 0.651 1
1 486 . 11 1 1 A 45 45 LYS CB C 45 32.190 35.267 -3.077 1
1 490 . 11 1 1 A 45 45 LYS N N 45 118.935 119.534 -0.599 1
1 491 . 11 1 1 A 46 46 VAL H H 46 8.574 9.063 -0.489 1
1 492 . 11 1 1 A 46 46 VAL HA H 46 3.870 4.612 -0.742 1
1 500 . 11 1 1 A 46 46 VAL C C 46 173.589 174.772 -1.183 1
1 501 . 11 1 1 A 46 46 VAL CA C 46 60.777 60.856 -0.079 1
1 502 . 11 1 1 A 46 46 VAL CB C 46 32.263 33.111 -0.848 1
1 505 . 11 1 1 A 46 46 VAL N N 46 130.468 126.927 3.541 1
1 506 . 11 1 1 A 47 47 THR H H 47 8.098 8.859 -0.761 1
1 507 . 11 1 1 A 47 47 THR HA H 47 4.864 4.628 0.236 1
1 512 . 11 1 1 A 47 47 THR C C 47 173.666 175.328 -1.662 1
1 513 . 11 1 1 A 47 47 THR CA C 47 61.070 61.712 -0.642 1
1 514 . 11 1 1 A 47 47 THR CB C 47 69.693 69.927 -0.234 1
1 516 . 11 1 1 A 47 47 THR N N 47 120.392 122.136 -1.744 1
1 517 . 11 1 1 A 48 48 CYS H H 48 8.928 9.230 -0.302 1
1 518 . 11 1 1 A 48 48 CYS HA H 48 4.581 4.544 0.037 1
1 521 . 11 1 1 A 48 48 CYS C C 48 174.212 175.356 -1.144 1
1 522 . 11 1 1 A 48 48 CYS CA C 48 59.848 61.375 -1.527 1
1 523 . 11 1 1 A 48 48 CYS CB C 48 29.425 27.591 1.834 1
1 524 . 11 1 1 A 48 48 CYS N N 48 130.472 125.191 5.281 1
1 525 . 11 1 1 A 49 49 GLU H H 49 7.552 8.021 -0.469 1
1 526 . 11 1 1 A 49 49 GLU HA H 49 4.647 4.286 0.361 1
1 531 . 11 1 1 A 49 49 GLU C C 49 175.297 176.623 -1.326 1
1 532 . 11 1 1 A 49 49 GLU CA C 49 55.852 57.929 -2.077 1
1 533 . 11 1 1 A 49 49 GLU CB C 49 31.404 30.760 0.644 1
1 535 . 11 1 1 A 49 49 GLU N N 49 128.705 120.650 8.055 1
1 536 . 11 1 1 A 50 50 GLY H H 50 8.459 8.223 0.236 1
1 537 . 11 1 1 A 50 50 GLY HA2 H 50 4.128 4.236 -0.108 1
1 538 . 11 1 1 A 50 50 GLY HA3 H 50 3.916 4.241 -0.325 1
1 539 . 11 1 1 A 50 50 GLY C C 50 174.247 174.614 -0.367 1
1 540 . 11 1 1 A 50 50 GLY CA C 50 45.243 45.959 -0.716 1
1 541 . 11 1 1 A 50 50 GLY N N 50 109.953 109.171 0.782 1
1 542 . 11 1 1 A 51 51 GLY H H 51 8.548 8.786 -0.238 1
1 543 . 11 1 1 A 51 51 GLY HA2 H 51 3.991 3.836 0.155 1
1 544 . 11 1 1 A 51 51 GLY HA3 H 51 3.991 3.837 0.154 1
1 545 . 11 1 1 A 51 51 GLY C C 51 174.381 174.789 -0.408 1
1 546 . 11 1 1 A 51 51 GLY CA C 51 45.714 47.195 -1.481 1
1 547 . 11 1 1 A 51 51 GLY N N 51 109.074 108.867 0.207 1
1 548 . 11 1 1 A 52 52 ASN H H 52 8.740 8.024 0.716 1
1 549 . 11 1 1 A 52 52 ASN HA H 52 4.566 4.952 -0.386 1
1 554 . 11 1 1 A 52 52 ASN C C 52 175.686 176.241 -0.555 1
1 555 . 11 1 1 A 52 52 ASN CA C 52 53.618 52.762 0.856 1
1 556 . 11 1 1 A 52 52 ASN CB C 52 38.009 39.450 -1.441 1
1 557 . 11 1 1 A 52 52 ASN N N 52 118.415 117.651 0.764 1
1 559 . 11 1 1 A 53 53 GLY H H 53 8.367 8.689 -0.322 1
1 560 . 11 1 1 A 53 53 GLY HA2 H 53 4.101 3.886 0.215 1
1 561 . 11 1 1 A 53 53 GLY HA3 H 53 3.808 3.888 -0.080 1
1 562 . 11 1 1 A 53 53 GLY C C 53 174.323 174.515 -0.192 1
1 563 . 11 1 1 A 53 53 GLY CA C 53 45.675 46.882 -1.207 1
1 564 . 11 1 1 A 53 53 GLY N N 53 107.419 110.467 -3.048 1
1 565 . 11 1 1 A 54 54 LEU H H 54 7.703 7.899 -0.196 1
1 566 . 11 1 1 A 54 54 LEU HA H 54 4.405 4.416 -0.011 1
1 576 . 11 1 1 A 54 54 LEU C C 54 177.359 177.661 -0.302 1
1 577 . 11 1 1 A 54 54 LEU CA C 54 55.162 55.632 -0.470 1
1 578 . 11 1 1 A 54 54 LEU CB C 54 42.742 42.538 0.204 1
1 582 . 11 1 1 A 54 54 LEU N N 54 121.020 117.458 3.562 1
1 583 . 11 1 1 A 55 55 GLY H H 55 8.265 8.236 0.029 1
1 584 . 11 1 1 A 55 55 GLY HA2 H 55 4.112 3.851 0.261 1
1 585 . 11 1 1 A 55 55 GLY HA3 H 55 4.112 3.862 0.250 1
1 586 . 11 1 1 A 55 55 GLY C C 55 174.453 175.232 -0.779 1
1 587 . 11 1 1 A 55 55 GLY CA C 55 45.438 46.310 -0.872 1
1 588 . 11 1 1 A 55 55 GLY N N 55 109.910 105.945 3.965 1
1 589 . 11 1 1 A 56 56 CYS H H 56 10.071 8.802 1.269 1
1 590 . 11 1 1 A 56 56 CYS HA H 56 4.928 4.220 0.708 1
1 593 . 11 1 1 A 56 56 CYS C C 56 177.993 174.976 3.017 1
1 594 . 11 1 1 A 56 56 CYS CA C 56 59.541 60.500 -0.959 1
1 595 . 11 1 1 A 56 56 CYS CB C 56 32.099 28.040 4.059 1
1 596 . 11 1 1 A 56 56 CYS N N 56 124.504 124.668 -0.164 1
1 597 . 11 1 1 A 57 57 GLY H H 57 9.174 8.135 1.039 1
1 598 . 11 1 1 A 57 57 GLY HA2 H 57 4.313 4.048 0.265 1
1 599 . 11 1 1 A 57 57 GLY HA3 H 57 3.668 4.064 -0.396 1
1 600 . 11 1 1 A 57 57 GLY C C 57 173.686 173.677 0.009 1
1 601 . 11 1 1 A 57 57 GLY CA C 57 45.860 45.145 0.715 1
1 602 . 11 1 1 A 57 57 GLY N N 57 114.428 108.152 6.276 1
1 603 . 11 1 1 A 58 58 PHE H H 58 9.036 7.806 1.230 1
1 604 . 11 1 1 A 58 58 PHE HA H 58 4.623 4.833 -0.210 1
1 611 . 11 1 1 A 58 58 PHE C C 58 173.896 174.434 -0.538 1
1 612 . 11 1 1 A 58 58 PHE CA C 58 58.969 55.966 3.003 1
1 613 . 11 1 1 A 58 58 PHE CB C 58 41.132 41.360 -0.228 1
1 614 . 11 1 1 A 58 58 PHE N N 58 125.130 120.589 4.541 1
1 615 . 11 1 1 A 59 59 ALA H H 59 7.570 8.418 -0.848 1
1 616 . 11 1 1 A 59 59 ALA HA H 59 5.486 4.869 0.617 1
1 620 . 11 1 1 A 59 59 ALA C C 59 176.469 177.777 -1.308 1
1 621 . 11 1 1 A 59 59 ALA CA C 59 49.817 52.578 -2.761 1
1 622 . 11 1 1 A 59 59 ALA CB C 59 19.826 19.359 0.467 1
1 623 . 11 1 1 A 59 59 ALA N N 59 128.638 129.640 -1.002 1
1 624 . 11 1 1 A 60 60 PHE H H 60 9.387 8.893 0.494 1
1 625 . 11 1 1 A 60 60 PHE HA H 60 5.204 5.551 -0.347 1
1 632 . 11 1 1 A 60 60 PHE C C 60 172.955 172.468 0.487 1
1 633 . 11 1 1 A 60 60 PHE CA C 60 54.353 55.350 -0.997 1
1 634 . 11 1 1 A 60 60 PHE CB C 60 42.246 41.722 0.524 1
1 637 . 11 1 1 A 60 60 PHE N N 60 121.410 116.271 5.139 1
1 638 . 11 1 1 A 61 61 CYS H H 61 8.772 8.906 -0.134 1
1 639 . 11 1 1 A 61 61 CYS HA H 61 4.754 4.808 -0.054 1
1 642 . 11 1 1 A 61 61 CYS C C 61 177.353 175.823 1.530 1
1 643 . 11 1 1 A 61 61 CYS CA C 61 58.032 57.099 0.933 1
1 644 . 11 1 1 A 61 61 CYS CB C 61 32.242 30.461 1.781 1
1 645 . 11 1 1 A 61 61 CYS N N 61 120.610 120.275 0.335 1
1 646 . 11 1 1 A 62 62 ARG H H 62 9.535 8.657 0.878 1
1 647 . 11 1 1 A 62 62 ARG HA H 62 4.027 4.169 -0.142 1
1 654 . 11 1 1 A 62 62 ARG C C 62 175.657 178.275 -2.618 1
1 655 . 11 1 1 A 62 62 ARG CA C 62 59.330 58.936 0.394 1
1 656 . 11 1 1 A 62 62 ARG CB C 62 31.196 29.874 1.322 1
1 659 . 11 1 1 A 62 62 ARG N N 62 130.041 126.575 3.466 1
1 660 . 11 1 1 A 63 63 GLU H H 63 8.721 8.066 0.655 1
1 661 . 11 1 1 A 63 63 GLU HA H 63 4.394 4.087 0.307 1
1 666 . 11 1 1 A 63 63 GLU C C 63 177.341 178.059 -0.718 1
1 667 . 11 1 1 A 63 63 GLU CA C 63 58.404 59.559 -1.155 1
1 668 . 11 1 1 A 63 63 GLU CB C 63 30.501 29.796 0.705 1
1 670 . 11 1 1 A 63 63 GLU N N 63 118.534 118.567 -0.033 1
1 671 . 11 1 1 A 64 64 CYS H H 64 8.050 7.844 0.206 1
1 672 . 11 1 1 A 64 64 CYS HA H 64 4.962 4.584 0.378 1
1 675 . 11 1 1 A 64 64 CYS C C 64 176.019 175.361 0.658 1
1 676 . 11 1 1 A 64 64 CYS CA C 64 58.858 58.181 0.677 1
1 677 . 11 1 1 A 64 64 CYS CB C 64 32.103 28.188 3.915 1
1 678 . 11 1 1 A 64 64 CYS N N 64 116.495 114.963 1.532 1
1 679 . 11 1 1 A 65 65 LYS H H 65 8.489 8.041 0.448 1
1 680 . 11 1 1 A 65 65 LYS HA H 65 4.191 4.536 -0.345 1
1 687 . 11 1 1 A 65 65 LYS C C 65 174.742 175.390 -0.648 1
1 688 . 11 1 1 A 65 65 LYS CA C 65 58.883 57.254 1.629 1
1 689 . 11 1 1 A 65 65 LYS CB C 65 28.865 30.161 -1.296 1
1 693 . 11 1 1 A 65 65 LYS N N 65 117.320 120.439 -3.119 1
1 694 . 11 1 1 A 66 66 GLU H H 66 8.272 7.445 0.827 1
1 695 . 11 1 1 A 66 66 GLU HA H 66 4.721 4.955 -0.234 1
1 700 . 11 1 1 A 66 66 GLU C C 66 175.422 175.805 -0.383 1
1 701 . 11 1 1 A 66 66 GLU CA C 66 55.285 54.522 0.763 1
1 702 . 11 1 1 A 66 66 GLU CB C 66 31.666 33.135 -1.469 1
1 704 . 11 1 1 A 66 66 GLU N N 66 117.719 119.258 -1.539 1
1 705 . 11 1 1 A 67 67 ALA H H 67 8.766 8.512 0.254 1
1 706 . 11 1 1 A 67 67 ALA HA H 67 4.177 4.463 -0.286 1
1 710 . 11 1 1 A 67 67 ALA C C 67 177.459 177.012 0.447 1
1 711 . 11 1 1 A 67 67 ALA CA C 67 53.019 53.175 -0.156 1
1 712 . 11 1 1 A 67 67 ALA CB C 67 18.548 19.060 -0.512 1
1 713 . 11 1 1 A 67 67 ALA N N 67 120.597 124.514 -3.917 1
1 714 . 11 1 1 A 68 68 TYR H H 68 8.061 8.871 -0.810 1
1 715 . 11 1 1 A 68 68 TYR HA H 68 4.531 4.385 0.146 1
1 722 . 11 1 1 A 68 68 TYR CA C 68 58.242 59.773 -1.531 1
1 723 . 11 1 1 A 68 68 TYR CB C 68 38.531 39.087 -0.556 1
1 728 . 11 1 1 A 68 68 TYR N N 68 120.592 124.075 -3.483 1
1 729 . 11 1 1 A 69 69 HIS HA H 69 4.643 5.635 -0.992 1
1 734 . 11 1 1 A 69 69 HIS C C 69 173.158 175.661 -2.503 1
1 735 . 11 1 1 A 69 69 HIS CA C 69 51.310 53.439 -2.129 1
1 736 . 11 1 1 A 69 69 HIS CB C 69 32.038 33.139 -1.101 1
1 739 . 11 1 1 A 70 70 GLU H H 70 8.796 9.099 -0.303 1
1 740 . 11 1 1 A 70 70 GLU HA H 70 4.238 4.515 -0.277 1
1 745 . 11 1 1 A 70 70 GLU C C 70 178.838 176.613 2.225 1
1 746 . 11 1 1 A 70 70 GLU CA C 70 55.450 56.952 -1.502 1
1 747 . 11 1 1 A 70 70 GLU CB C 70 30.527 30.110 0.417 1
1 749 . 11 1 1 A 70 70 GLU N N 70 120.194 118.867 1.327 1
1 750 . 11 1 1 A 71 71 GLY H H 71 8.876 7.878 0.998 1
1 751 . 11 1 1 A 71 71 GLY HA2 H 71 4.082 3.981 0.101 1
1 752 . 11 1 1 A 71 71 GLY HA3 H 71 3.910 4.034 -0.124 1
1 753 . 11 1 1 A 71 71 GLY C C 71 173.634 172.635 0.999 1
1 754 . 11 1 1 A 71 71 GLY CA C 71 45.615 44.651 0.964 1
1 755 . 11 1 1 A 71 71 GLY N N 71 111.118 108.681 2.437 1
1 756 . 11 1 1 A 72 72 GLU H H 72 8.391 8.540 -0.149 1
1 757 . 11 1 1 A 72 72 GLU HA H 72 4.360 4.673 -0.313 1
1 762 . 11 1 1 A 72 72 GLU C C 72 177.319 175.951 1.368 1
1 763 . 11 1 1 A 72 72 GLU CA C 72 56.571 54.263 2.308 1
1 764 . 11 1 1 A 72 72 GLU CB C 72 30.411 32.989 -2.578 1
1 766 . 11 1 1 A 72 72 GLU N N 72 118.939 119.587 -0.648 1
1 767 . 11 1 1 A 73 73 CYS H H 73 8.574 8.686 -0.112 1
1 768 . 11 1 1 A 73 73 CYS HA H 73 3.770 4.200 -0.430 1
1 771 . 11 1 1 A 73 73 CYS C C 73 176.052 175.099 0.953 1
1 772 . 11 1 1 A 73 73 CYS CA C 73 60.416 62.986 -2.570 1
1 773 . 11 1 1 A 73 73 CYS CB C 73 30.793 27.512 3.281 1
1 774 . 11 1 1 A 73 73 CYS N N 73 123.479 121.193 2.286 1
1 775 . 11 1 1 A 74 74 SER H H 74 8.541 8.050 0.491 1
1 776 . 11 1 1 A 74 74 SER HA H 74 4.288 4.102 0.186 1
1 779 . 11 1 1 A 74 74 SER C C 74 174.140 174.759 -0.619 1
1 780 . 11 1 1 A 74 74 SER CA C 74 58.591 59.185 -0.594 1
1 781 . 11 1 1 A 74 74 SER CB C 74 63.626 61.707 1.919 1
1 782 . 11 1 1 A 74 74 SER N N 74 117.297 115.319 1.978 1
1 783 . 11 1 1 A 75 75 ALA H H 75 8.092 8.240 -0.148 1
1 784 . 11 1 1 A 75 75 ALA HA H 75 4.312 4.401 -0.089 1
1 788 . 11 1 1 A 75 75 ALA C C 75 177.173 175.970 1.203 1
1 789 . 11 1 1 A 75 75 ALA CA C 75 52.403 51.616 0.787 1
1 790 . 11 1 1 A 75 75 ALA CB C 75 19.546 19.880 -0.334 1
1 791 . 11 1 1 A 75 75 ALA N N 75 125.952 121.678 4.274 1
1 792 . 11 1 1 A 76 76 VAL H H 76 7.934 7.384 0.550 1
1 793 . 11 1 1 A 76 76 VAL HA H 76 4.028 4.078 -0.050 1
1 801 . 11 1 1 A 76 76 VAL C C 76 175.784 174.497 1.287 1
1 802 . 11 1 1 A 76 76 VAL CA C 76 62.265 60.123 2.142 1
1 803 . 11 1 1 A 76 76 VAL CB C 76 32.893 36.175 -3.282 1
1 806 . 11 1 1 A 76 76 VAL N N 76 118.959 117.825 1.134 1
1 807 . 11 1 1 A 77 77 PHE H H 77 8.283 7.836 0.447 1
1 808 . 11 1 1 A 77 77 PHE HA H 77 4.670 4.637 0.033 1
1 813 . 11 1 1 A 77 77 PHE C C 77 175.335 175.793 -0.458 1
1 814 . 11 1 1 A 77 77 PHE CA C 77 57.588 58.276 -0.688 1
1 815 . 11 1 1 A 77 77 PHE CB C 77 39.899 39.669 0.230 1
1 818 . 11 1 1 A 77 77 PHE N N 77 124.298 123.754 0.544 1
1 819 . 11 1 1 A 78 78 GLU H H 78 8.262 9.057 -0.795 1
1 820 . 11 1 1 A 78 78 GLU HA H 78 4.251 3.885 0.366 1
1 825 . 11 1 1 A 78 78 GLU C C 78 175.451 174.764 0.687 1
1 826 . 11 1 1 A 78 78 GLU CA C 78 56.179 57.421 -1.242 1
1 827 . 11 1 1 A 78 78 GLU CB C 78 30.676 28.009 2.667 1
1 829 . 11 1 1 A 78 78 GLU N N 78 123.482 118.226 5.256 1
1 830 . 11 1 1 A 79 79 ALA H H 79 8.279 7.754 0.525 1
1 831 . 11 1 1 A 79 79 ALA HA H 79 4.341 4.781 -0.440 1
1 835 . 11 1 1 A 79 79 ALA C C 79 176.767 176.502 0.265 1
1 836 . 11 1 1 A 79 79 ALA CA C 79 52.512 50.392 2.120 1
1 837 . 11 1 1 A 79 79 ALA CB C 79 19.493 21.644 -2.151 1
1 838 . 11 1 1 A 79 79 ALA N N 79 126.363 120.494 5.869 1
1 6 . 12 1 1 A 2 2 HIS H H 2 7.929 8.700 -0.771 1
1 9 . 12 1 1 A 2 2 HIS CB C 2 31.017 32.798 -1.781 1
1 12 . 12 1 1 A 2 2 HIS N N 2 118.946 119.577 -0.631 1
1 13 . 12 1 1 A 3 3 MET HA H 3 4.537 4.585 -0.048 1
1 16 . 12 1 1 A 3 3 MET C C 3 176.240 176.499 -0.259 1
1 17 . 12 1 1 A 3 3 MET CA C 3 55.681 55.127 0.554 1
1 18 . 12 1 1 A 3 3 MET CB C 3 33.063 33.857 -0.794 1
1 20 . 12 1 1 A 4 4 GLY H H 4 8.155 8.518 -0.363 1
1 21 . 12 1 1 A 4 4 GLY HA2 H 4 4.031 4.003 0.028 1
1 22 . 12 1 1 A 4 4 GLY HA3 H 4 4.031 4.015 0.016 1
1 23 . 12 1 1 A 4 4 GLY C C 4 174.348 173.254 1.094 1
1 24 . 12 1 1 A 4 4 GLY CA C 4 45.418 45.660 -0.242 1
1 25 . 12 1 1 A 4 4 GLY N N 4 108.673 110.237 -1.564 1
1 26 . 12 1 1 A 5 5 GLU H H 5 8.351 8.730 -0.379 1
1 27 . 12 1 1 A 5 5 GLU HA H 5 4.275 4.863 -0.588 1
1 32 . 12 1 1 A 5 5 GLU C C 5 177.037 174.442 2.595 1
1 33 . 12 1 1 A 5 5 GLU CA C 5 57.098 54.361 2.737 1
1 34 . 12 1 1 A 5 5 GLU CB C 5 30.282 33.518 -3.236 1
1 36 . 12 1 1 A 5 5 GLU N N 5 120.605 122.901 -2.296 1
1 37 . 12 1 1 A 6 6 GLU H H 6 8.641 8.703 -0.062 1
1 38 . 12 1 1 A 6 6 GLU HA H 6 4.248 4.662 -0.414 1
1 43 . 12 1 1 A 6 6 GLU C C 6 176.799 175.259 1.540 1
1 44 . 12 1 1 A 6 6 GLU CA C 6 57.344 55.266 2.078 1
1 45 . 12 1 1 A 6 6 GLU CB C 6 29.842 31.463 -1.621 1
1 47 . 12 1 1 A 6 6 GLU N N 6 121.425 122.499 -1.074 1
1 48 . 12 1 1 A 7 7 GLN H H 7 8.304 8.504 -0.200 1
1 53 . 12 1 1 A 7 7 GLN C C 7 175.537 174.811 0.726 1
1 54 . 12 1 1 A 7 7 GLN CA C 7 56.292 54.097 2.195 1
1 55 . 12 1 1 A 7 7 GLN CB C 7 29.164 32.269 -3.105 1
1 57 . 12 1 1 A 7 7 GLN N N 7 120.185 122.147 -1.962 1
1 59 . 12 1 1 A 8 8 TYR H H 8 8.221 8.760 -0.539 1
1 60 . 12 1 1 A 8 8 TYR HA H 8 4.606 4.733 -0.127 1
1 67 . 12 1 1 A 8 8 TYR C C 8 175.728 175.233 0.495 1
1 68 . 12 1 1 A 8 8 TYR CA C 8 58.138 57.060 1.078 1
1 69 . 12 1 1 A 8 8 TYR CB C 8 38.766 38.762 0.004 1
1 70 . 12 1 1 A 8 8 TYR N N 8 120.918 123.259 -2.341 1
1 71 . 12 1 1 A 9 9 ASN H H 9 8.288 7.717 0.571 1
1 72 . 12 1 1 A 9 9 ASN HA H 9 4.654 5.143 -0.489 1
1 77 . 12 1 1 A 9 9 ASN C C 9 175.439 174.586 0.853 1
1 78 . 12 1 1 A 9 9 ASN CA C 9 53.435 52.252 1.183 1
1 79 . 12 1 1 A 9 9 ASN CB C 9 38.790 40.557 -1.767 1
1 80 . 12 1 1 A 9 9 ASN N N 9 120.180 119.877 0.303 1
1 82 . 12 1 1 A 10 10 ARG H H 10 8.128 8.563 -0.435 1
1 83 . 12 1 1 A 10 10 ARG HA H 10 4.171 4.158 0.013 1
1 90 . 12 1 1 A 10 10 ARG C C 10 176.244 176.188 0.056 1
1 91 . 12 1 1 A 10 10 ARG CA C 10 57.023 55.807 1.216 1
1 92 . 12 1 1 A 10 10 ARG CB C 10 30.535 30.824 -0.289 1
1 95 . 12 1 1 A 10 10 ARG N N 10 121.014 124.362 -3.348 1
1 96 . 12 1 1 A 11 11 TYR H H 11 8.108 8.555 -0.447 1
1 97 . 12 1 1 A 11 11 TYR HA H 11 4.543 4.601 -0.058 1
1 104 . 12 1 1 A 11 11 TYR C C 11 175.929 176.225 -0.296 1
1 105 . 12 1 1 A 11 11 TYR CA C 11 58.219 59.151 -0.932 1
1 106 . 12 1 1 A 11 11 TYR CB C 11 38.365 39.750 -1.385 1
1 107 . 12 1 1 A 11 11 TYR N N 11 119.776 120.842 -1.066 1
1 108 . 12 1 1 A 12 12 GLN H H 12 8.050 7.785 0.265 1
1 109 . 12 1 1 A 12 12 GLN HA H 12 4.269 4.990 -0.721 1
1 116 . 12 1 1 A 12 12 GLN C C 12 175.917 174.425 1.492 1
1 117 . 12 1 1 A 12 12 GLN CA C 12 56.240 54.794 1.446 1
1 118 . 12 1 1 A 12 12 GLN CB C 12 29.463 31.010 -1.547 1
1 120 . 12 1 1 A 12 12 GLN N N 12 120.992 118.197 2.795 1
1 122 . 12 1 1 A 13 13 GLN H H 13 8.065 9.017 -0.952 1
1 123 . 12 1 1 A 13 13 GLN HA H 13 4.202 5.376 -1.174 1
1 130 . 12 1 1 A 13 13 GLN C C 13 175.644 173.877 1.767 1
1 131 . 12 1 1 A 13 13 GLN CA C 13 56.242 54.190 2.052 1
1 132 . 12 1 1 A 13 13 GLN CB C 13 29.394 32.623 -3.229 1
1 134 . 12 1 1 A 13 13 GLN N N 13 120.539 124.752 -4.213 1
1 136 . 12 1 1 A 14 14 TYR H H 14 8.212 8.758 -0.546 1
1 137 . 12 1 1 A 14 14 TYR HA H 14 4.572 4.859 -0.287 1
1 144 . 12 1 1 A 14 14 TYR C C 14 176.382 175.491 0.891 1
1 145 . 12 1 1 A 14 14 TYR CA C 14 57.958 57.156 0.802 1
1 146 . 12 1 1 A 14 14 TYR CB C 14 38.983 42.317 -3.334 1
1 151 . 12 1 1 A 14 14 TYR N N 14 120.582 123.663 -3.081 1
1 152 . 12 1 1 A 15 15 GLY H H 15 8.405 8.519 -0.114 1
1 153 . 12 1 1 A 15 15 GLY HA2 H 15 3.933 4.078 -0.145 1
1 154 . 12 1 1 A 15 15 GLY HA3 H 15 3.933 4.084 -0.151 1
1 155 . 12 1 1 A 15 15 GLY C C 15 173.776 174.272 -0.496 1
1 156 . 12 1 1 A 15 15 GLY CA C 15 45.407 46.075 -0.668 1
1 157 . 12 1 1 A 15 15 GLY N N 15 110.724 109.750 0.974 1
1 158 . 12 1 1 A 16 16 ALA H H 16 8.160 8.008 0.152 1
1 159 . 12 1 1 A 16 16 ALA HA H 16 4.302 4.265 0.037 1
1 163 . 12 1 1 A 16 16 ALA C C 16 178.147 177.372 0.775 1
1 164 . 12 1 1 A 16 16 ALA CA C 16 53.034 52.554 0.480 1
1 165 . 12 1 1 A 16 16 ALA CB C 16 19.392 19.028 0.364 1
1 166 . 12 1 1 A 16 16 ALA N N 16 123.489 124.244 -0.755 1
1 167 . 12 1 1 A 17 17 GLU H H 17 8.612 8.875 -0.263 1
1 168 . 12 1 1 A 17 17 GLU HA H 17 4.169 4.339 -0.170 1
1 173 . 12 1 1 A 17 17 GLU C C 17 177.000 175.965 1.035 1
1 174 . 12 1 1 A 17 17 GLU CA C 17 57.837 57.153 0.684 1
1 175 . 12 1 1 A 17 17 GLU CB C 17 29.881 30.206 -0.325 1
1 177 . 12 1 1 A 17 17 GLU N N 17 119.373 125.769 -6.396 1
1 178 . 12 1 1 A 18 18 GLU H H 18 8.413 8.671 -0.258 1
1 179 . 12 1 1 A 18 18 GLU HA H 18 4.210 5.205 -0.995 1
1 184 . 12 1 1 A 18 18 GLU C C 18 177.015 174.530 2.485 1
1 185 . 12 1 1 A 18 18 GLU CA C 18 57.641 54.839 2.802 1
1 186 . 12 1 1 A 18 18 GLU CB C 18 29.980 33.025 -3.045 1
1 188 . 12 1 1 A 18 18 GLU N N 18 120.184 121.825 -1.641 1
1 189 . 12 1 1 A 19 19 CYS H H 19 8.253 8.687 -0.434 1
1 190 . 12 1 1 A 19 19 CYS HA H 19 4.381 4.754 -0.373 1
1 193 . 12 1 1 A 19 19 CYS C C 19 175.552 175.117 0.435 1
1 194 . 12 1 1 A 19 19 CYS CA C 19 59.819 58.626 1.193 1
1 195 . 12 1 1 A 19 19 CYS CB C 19 27.554 30.994 -3.440 1
1 196 . 12 1 1 A 19 19 CYS N N 19 119.775 120.223 -0.448 1
1 197 . 12 1 1 A 20 20 VAL H H 20 8.051 8.695 -0.644 1
1 198 . 12 1 1 A 20 20 VAL HA H 20 3.939 3.824 0.115 1
1 206 . 12 1 1 A 20 20 VAL C C 20 173.904 176.611 -2.707 1
1 207 . 12 1 1 A 20 20 VAL CA C 20 64.113 63.184 0.929 1
1 208 . 12 1 1 A 20 20 VAL CB C 20 32.316 29.663 2.653 1
1 211 . 12 1 1 A 20 20 VAL N N 20 121.008 124.307 -3.299 1
1 212 . 12 1 1 A 21 21 LEU H H 21 8.190 8.070 0.120 1
1 213 . 12 1 1 A 21 21 LEU HA H 21 4.648 4.076 0.572 1
1 222 . 12 1 1 A 21 21 LEU CA C 21 54.565 57.927 -3.362 1
1 223 . 12 1 1 A 21 21 LEU CB C 21 41.542 41.499 0.043 1
1 225 . 12 1 1 A 21 21 LEU N N 21 123.470 121.469 2.001 1
1 226 . 12 1 1 A 22 22 GLN H H 22 8.322 7.845 0.477 1
1 227 . 12 1 1 A 22 22 GLN HA H 22 4.046 4.870 -0.824 1
1 230 . 12 1 1 A 22 22 GLN C C 22 176.428 174.697 1.731 1
1 231 . 12 1 1 A 22 22 GLN CA C 22 56.800 54.099 2.701 1
1 232 . 12 1 1 A 22 22 GLN CB C 22 29.116 31.826 -2.710 1
1 234 . 12 1 1 A 22 22 GLN N N 22 120.999 118.371 2.628 1
1 236 . 12 1 1 A 23 23 MET H H 23 7.958 8.879 -0.921 1
1 237 . 12 1 1 A 23 23 MET HA H 23 4.487 4.766 -0.279 1
1 245 . 12 1 1 A 23 23 MET C C 23 176.558 175.716 0.842 1
1 246 . 12 1 1 A 23 23 MET CA C 23 55.842 55.021 0.821 1
1 247 . 12 1 1 A 23 23 MET CB C 23 32.712 33.893 -1.181 1
1 250 . 12 1 1 A 23 23 MET N N 23 118.950 124.816 -5.866 1
1 251 . 12 1 1 A 24 24 GLY H H 24 8.549 8.375 0.174 1
1 252 . 12 1 1 A 24 24 GLY HA2 H 24 4.163 4.134 0.029 1
1 253 . 12 1 1 A 24 24 GLY HA3 H 24 3.919 4.134 -0.215 1
1 254 . 12 1 1 A 24 24 GLY C C 24 174.799 173.470 1.329 1
1 255 . 12 1 1 A 24 24 GLY CA C 24 45.547 45.651 -0.104 1
1 256 . 12 1 1 A 24 24 GLY N N 24 110.724 111.999 -1.275 1
1 257 . 12 1 1 A 25 25 GLY H H 25 8.216 8.119 0.097 1
1 258 . 12 1 1 A 25 25 GLY HA2 H 25 4.455 4.065 0.390 1
1 259 . 12 1 1 A 25 25 GLY HA3 H 25 3.921 4.081 -0.160 1
1 260 . 12 1 1 A 25 25 GLY C C 25 172.658 172.825 -0.167 1
1 261 . 12 1 1 A 25 25 GLY CA C 25 45.087 45.760 -0.673 1
1 262 . 12 1 1 A 25 25 GLY N N 25 107.443 112.463 -5.020 1
1 263 . 12 1 1 A 26 26 VAL H H 26 8.726 8.973 -0.247 1
1 264 . 12 1 1 A 26 26 VAL HA H 26 4.533 4.993 -0.460 1
1 272 . 12 1 1 A 26 26 VAL C C 26 172.923 174.363 -1.440 1
1 273 . 12 1 1 A 26 26 VAL CA C 26 59.864 60.535 -0.671 1
1 274 . 12 1 1 A 26 26 VAL CB C 26 35.551 33.855 1.696 1
1 277 . 12 1 1 A 26 26 VAL N N 26 116.467 120.649 -4.182 1
1 278 . 12 1 1 A 27 27 LEU H H 27 8.201 8.823 -0.622 1
1 279 . 12 1 1 A 27 27 LEU HA H 27 5.057 4.406 0.651 1
1 289 . 12 1 1 A 27 27 LEU C C 27 176.746 176.630 0.116 1
1 290 . 12 1 1 A 27 27 LEU CA C 27 53.134 54.887 -1.753 1
1 291 . 12 1 1 A 27 27 LEU CB C 27 42.926 42.051 0.875 1
1 294 . 12 1 1 A 27 27 LEU N N 27 124.428 128.344 -3.916 1
1 295 . 12 1 1 A 28 28 CYS H H 28 8.902 8.545 0.357 1
1 296 . 12 1 1 A 28 28 CYS HA H 28 4.158 4.295 -0.137 1
1 299 . 12 1 1 A 28 28 CYS CA C 28 57.728 58.158 -0.430 1
1 300 . 12 1 1 A 28 28 CYS CB C 28 32.175 27.578 4.597 1
1 301 . 12 1 1 A 28 28 CYS N N 28 127.173 124.534 2.639 1
1 302 . 12 1 1 A 29 29 PRO HA H 29 4.410 4.519 -0.109 1
1 309 . 12 1 1 A 29 29 PRO C C 29 177.459 176.332 1.127 1
1 310 . 12 1 1 A 29 29 PRO CA C 29 62.872 63.582 -0.710 1
1 311 . 12 1 1 A 29 29 PRO CB C 29 32.813 31.918 0.895 1
1 314 . 12 1 1 A 30 30 ARG H H 30 9.132 7.663 1.469 1
1 315 . 12 1 1 A 30 30 ARG HA H 30 4.087 4.380 -0.293 1
1 322 . 12 1 1 A 30 30 ARG CA C 30 55.102 54.796 0.306 1
1 323 . 12 1 1 A 30 30 ARG CB C 30 29.469 29.961 -0.492 1
1 326 . 12 1 1 A 30 30 ARG N N 30 127.589 121.242 6.347 1
1 327 . 12 1 1 A 31 31 PRO HA H 31 4.242 4.487 -0.245 1
1 334 . 12 1 1 A 31 31 PRO C C 31 177.828 177.225 0.603 1
1 335 . 12 1 1 A 31 31 PRO CA C 31 64.202 64.200 0.002 1
1 336 . 12 1 1 A 31 31 PRO CB C 31 31.518 32.127 -0.609 1
1 339 . 12 1 1 A 32 32 GLY H H 32 8.773 7.532 1.241 1
1 340 . 12 1 1 A 32 32 GLY HA2 H 32 4.065 4.127 -0.062 1
1 341 . 12 1 1 A 32 32 GLY HA3 H 32 3.706 4.128 -0.422 1
1 342 . 12 1 1 A 32 32 GLY C C 32 173.340 174.877 -1.537 1
1 343 . 12 1 1 A 32 32 GLY CA C 32 45.272 45.766 -0.494 1
1 344 . 12 1 1 A 32 32 GLY N N 32 111.942 104.614 7.328 1
1 345 . 12 1 1 A 33 33 CYS H H 33 7.749 8.112 -0.363 1
1 346 . 12 1 1 A 33 33 CYS HA H 33 4.528 4.435 0.093 1
1 349 . 12 1 1 A 33 33 CYS CA C 33 60.515 60.552 -0.037 1
1 350 . 12 1 1 A 33 33 CYS CB C 33 29.641 29.062 0.579 1
1 351 . 12 1 1 A 33 33 CYS N N 33 123.343 119.366 3.977 1
1 352 . 12 1 1 A 34 34 GLY H H 34 8.351 7.849 0.502 1
1 353 . 12 1 1 A 34 34 GLY HA2 H 34 4.120 3.898 0.222 1
1 354 . 12 1 1 A 34 34 GLY HA3 H 34 3.911 3.901 0.010 1
1 355 . 12 1 1 A 34 34 GLY C C 34 173.849 175.012 -1.163 1
1 356 . 12 1 1 A 34 34 GLY CA C 34 46.225 46.870 -0.645 1
1 357 . 12 1 1 A 34 34 GLY N N 34 106.570 108.510 -1.940 1
1 358 . 12 1 1 A 35 35 ALA H H 35 8.591 8.209 0.382 1
1 359 . 12 1 1 A 35 35 ALA HA H 35 4.091 4.056 0.035 1
1 363 . 12 1 1 A 35 35 ALA C C 35 176.818 178.202 -1.384 1
1 364 . 12 1 1 A 35 35 ALA CA C 35 53.757 55.137 -1.380 1
1 365 . 12 1 1 A 35 35 ALA CB C 35 20.271 18.452 1.819 1
1 366 . 12 1 1 A 35 35 ALA N N 35 125.109 123.542 1.567 1
1 367 . 12 1 1 A 36 36 GLY H H 36 8.348 8.130 0.218 1
1 368 . 12 1 1 A 36 36 GLY HA2 H 36 4.412 3.894 0.518 1
1 369 . 12 1 1 A 36 36 GLY HA3 H 36 3.479 3.901 -0.422 1
1 370 . 12 1 1 A 36 36 GLY C C 36 177.324 174.001 3.323 1
1 371 . 12 1 1 A 36 36 GLY CA C 36 45.847 47.126 -1.279 1
1 372 . 12 1 1 A 36 36 GLY N N 36 106.607 107.180 -0.573 1
1 373 . 12 1 1 A 37 37 LEU H H 37 8.190 7.733 0.457 1
1 374 . 12 1 1 A 37 37 LEU HA H 37 4.753 4.931 -0.178 1
1 384 . 12 1 1 A 37 37 LEU C C 37 177.064 175.419 1.645 1
1 385 . 12 1 1 A 37 37 LEU CB C 37 44.730 44.360 0.370 1
1 389 . 12 1 1 A 37 37 LEU N N 37 123.541 116.513 7.028 1
1 390 . 12 1 1 A 38 38 LEU H H 38 8.210 8.934 -0.724 1
1 391 . 12 1 1 A 38 38 LEU HA H 38 4.981 4.916 0.065 1
1 401 . 12 1 1 A 38 38 LEU CA C 38 51.755 51.472 0.283 1
1 402 . 12 1 1 A 38 38 LEU CB C 38 42.309 42.792 -0.483 1
1 405 . 12 1 1 A 38 38 LEU N N 38 124.280 122.823 1.457 1
1 406 . 12 1 1 A 39 39 PRO HA H 39 4.600 4.558 0.042 1
1 413 . 12 1 1 A 39 39 PRO C C 39 176.647 176.252 0.395 1
1 414 . 12 1 1 A 39 39 PRO CA C 39 62.130 62.167 -0.037 1
1 415 . 12 1 1 A 39 39 PRO CB C 39 32.686 32.449 0.237 1
1 418 . 12 1 1 A 40 40 GLU H H 40 8.631 8.473 0.158 1
1 419 . 12 1 1 A 40 40 GLU HA H 40 4.485 4.316 0.169 1
1 424 . 12 1 1 A 40 40 GLU CA C 40 55.067 55.314 -0.247 1
1 425 . 12 1 1 A 40 40 GLU CB C 40 29.310 29.394 -0.084 1
1 426 . 12 1 1 A 40 40 GLU N N 40 122.240 120.863 1.377 1
1 427 . 12 1 1 A 41 41 PRO HA H 41 3.869 4.398 -0.529 1
1 434 . 12 1 1 A 41 41 PRO C C 41 176.908 174.091 2.817 1
1 435 . 12 1 1 A 41 41 PRO CA C 41 64.772 63.839 0.933 1
1 436 . 12 1 1 A 41 41 PRO CB C 41 32.172 30.810 1.362 1
1 439 . 12 1 1 A 42 42 ASP H H 42 8.486 7.548 0.938 1
1 440 . 12 1 1 A 42 42 ASP HA H 42 4.456 4.974 -0.518 1
1 443 . 12 1 1 A 42 42 ASP C C 42 175.265 175.708 -0.443 1
1 444 . 12 1 1 A 42 42 ASP CA C 42 54.480 52.671 1.809 1
1 445 . 12 1 1 A 42 42 ASP CB C 42 40.139 42.766 -2.627 1
1 446 . 12 1 1 A 42 42 ASP N N 42 114.895 115.598 -0.703 1
1 447 . 12 1 1 A 43 43 GLN H H 43 7.280 8.979 -1.699 1
1 448 . 12 1 1 A 43 43 GLN HA H 43 4.420 4.028 0.392 1
1 455 . 12 1 1 A 43 43 GLN CA C 43 54.877 57.765 -2.888 1
1 456 . 12 1 1 A 43 43 GLN CB C 43 30.219 27.974 2.245 1
1 458 . 12 1 1 A 43 43 GLN N N 43 118.523 121.874 -3.351 1
1 460 . 12 1 1 A 44 44 ARG H H 44 8.207 7.786 0.421 1
1 461 . 12 1 1 A 44 44 ARG HA H 44 4.206 4.107 0.099 1
1 468 . 12 1 1 A 44 44 ARG C C 44 175.581 176.956 -1.375 1
1 469 . 12 1 1 A 44 44 ARG CA C 44 58.285 58.896 -0.611 1
1 470 . 12 1 1 A 44 44 ARG CB C 44 32.175 30.192 1.983 1
1 473 . 12 1 1 A 44 44 ARG N N 44 120.127 118.340 1.787 1
1 474 . 12 1 1 A 45 45 LYS H H 45 7.909 7.215 0.694 1
1 475 . 12 1 1 A 45 45 LYS HA H 45 3.985 4.653 -0.668 1
1 484 . 12 1 1 A 45 45 LYS C C 45 174.753 174.018 0.735 1
1 485 . 12 1 1 A 45 45 LYS CA C 45 56.378 55.483 0.895 1
1 486 . 12 1 1 A 45 45 LYS CB C 45 32.190 34.754 -2.564 1
1 490 . 12 1 1 A 45 45 LYS N N 45 118.935 118.884 0.051 1
1 491 . 12 1 1 A 46 46 VAL H H 46 8.574 8.856 -0.282 1
1 492 . 12 1 1 A 46 46 VAL HA H 46 3.870 4.751 -0.881 1
1 500 . 12 1 1 A 46 46 VAL C C 46 173.589 174.574 -0.985 1
1 501 . 12 1 1 A 46 46 VAL CA C 46 60.777 60.987 -0.210 1
1 502 . 12 1 1 A 46 46 VAL CB C 46 32.263 33.107 -0.844 1
1 505 . 12 1 1 A 46 46 VAL N N 46 130.468 126.753 3.715 1
1 506 . 12 1 1 A 47 47 THR H H 47 8.098 8.881 -0.783 1
1 507 . 12 1 1 A 47 47 THR HA H 47 4.864 4.950 -0.086 1
1 512 . 12 1 1 A 47 47 THR C C 47 173.666 175.249 -1.583 1
1 513 . 12 1 1 A 47 47 THR CA C 47 61.070 60.632 0.438 1
1 514 . 12 1 1 A 47 47 THR CB C 47 69.693 71.379 -1.686 1
1 516 . 12 1 1 A 47 47 THR N N 47 120.392 122.681 -2.289 1
1 517 . 12 1 1 A 48 48 CYS H H 48 8.928 8.850 0.078 1
1 518 . 12 1 1 A 48 48 CYS HA H 48 4.581 4.685 -0.104 1
1 521 . 12 1 1 A 48 48 CYS C C 48 174.212 174.575 -0.363 1
1 522 . 12 1 1 A 48 48 CYS CA C 48 59.848 59.202 0.646 1
1 523 . 12 1 1 A 48 48 CYS CB C 48 29.425 28.308 1.117 1
1 524 . 12 1 1 A 48 48 CYS N N 48 130.472 122.925 7.547 1
1 525 . 12 1 1 A 49 49 GLU H H 49 7.552 7.966 -0.414 1
1 526 . 12 1 1 A 49 49 GLU HA H 49 4.647 4.810 -0.163 1
1 531 . 12 1 1 A 49 49 GLU C C 49 175.297 175.627 -0.330 1
1 532 . 12 1 1 A 49 49 GLU CA C 49 55.852 55.193 0.659 1
1 533 . 12 1 1 A 49 49 GLU CB C 49 31.404 32.153 -0.749 1
1 535 . 12 1 1 A 49 49 GLU N N 49 128.705 120.614 8.091 1
1 536 . 12 1 1 A 50 50 GLY H H 50 8.459 8.445 0.014 1
1 537 . 12 1 1 A 50 50 GLY HA2 H 50 4.128 4.234 -0.106 1
1 538 . 12 1 1 A 50 50 GLY HA3 H 50 3.916 4.240 -0.324 1
1 539 . 12 1 1 A 50 50 GLY C C 50 174.247 174.876 -0.629 1
1 540 . 12 1 1 A 50 50 GLY CA C 50 45.243 44.351 0.892 1
1 541 . 12 1 1 A 50 50 GLY N N 50 109.953 108.684 1.269 1
1 542 . 12 1 1 A 51 51 GLY H H 51 8.548 8.742 -0.194 1
1 543 . 12 1 1 A 51 51 GLY HA2 H 51 3.991 3.820 0.171 1
1 544 . 12 1 1 A 51 51 GLY HA3 H 51 3.991 3.821 0.170 1
1 545 . 12 1 1 A 51 51 GLY C C 51 174.381 175.180 -0.799 1
1 546 . 12 1 1 A 51 51 GLY CA C 51 45.714 47.385 -1.671 1
1 547 . 12 1 1 A 51 51 GLY N N 51 109.074 109.319 -0.245 1
1 548 . 12 1 1 A 52 52 ASN H H 52 8.740 7.876 0.864 1
1 549 . 12 1 1 A 52 52 ASN HA H 52 4.566 4.728 -0.162 1
1 554 . 12 1 1 A 52 52 ASN C C 52 175.686 176.351 -0.665 1
1 555 . 12 1 1 A 52 52 ASN CA C 52 53.618 53.225 0.393 1
1 556 . 12 1 1 A 52 52 ASN CB C 52 38.009 39.325 -1.316 1
1 557 . 12 1 1 A 52 52 ASN N N 52 118.415 118.124 0.291 1
1 559 . 12 1 1 A 53 53 GLY H H 53 8.367 8.647 -0.280 1
1 560 . 12 1 1 A 53 53 GLY HA2 H 53 4.101 3.849 0.252 1
1 561 . 12 1 1 A 53 53 GLY HA3 H 53 3.808 3.850 -0.042 1
1 562 . 12 1 1 A 53 53 GLY C C 53 174.323 174.314 0.009 1
1 563 . 12 1 1 A 53 53 GLY CA C 53 45.675 45.844 -0.169 1
1 564 . 12 1 1 A 53 53 GLY N N 53 107.419 108.476 -1.057 1
1 565 . 12 1 1 A 54 54 LEU H H 54 7.703 7.620 0.083 1
1 566 . 12 1 1 A 54 54 LEU HA H 54 4.405 4.702 -0.297 1
1 576 . 12 1 1 A 54 54 LEU C C 54 177.359 176.574 0.785 1
1 577 . 12 1 1 A 54 54 LEU CA C 54 55.162 54.476 0.686 1
1 578 . 12 1 1 A 54 54 LEU CB C 54 42.742 42.718 0.024 1
1 582 . 12 1 1 A 54 54 LEU N N 54 121.020 120.731 0.289 1
1 583 . 12 1 1 A 55 55 GLY H H 55 8.265 8.375 -0.110 1
1 584 . 12 1 1 A 55 55 GLY HA2 H 55 4.112 4.254 -0.142 1
1 585 . 12 1 1 A 55 55 GLY HA3 H 55 4.112 4.264 -0.152 1
1 586 . 12 1 1 A 55 55 GLY C C 55 174.453 174.420 0.033 1
1 587 . 12 1 1 A 55 55 GLY CA C 55 45.438 45.644 -0.206 1
1 588 . 12 1 1 A 55 55 GLY N N 55 109.910 108.515 1.395 1
1 589 . 12 1 1 A 56 56 CYS H H 56 10.071 8.902 1.169 1
1 590 . 12 1 1 A 56 56 CYS HA H 56 4.928 4.239 0.689 1
1 593 . 12 1 1 A 56 56 CYS C C 56 177.993 175.331 2.662 1
1 594 . 12 1 1 A 56 56 CYS CA C 56 59.541 60.641 -1.100 1
1 595 . 12 1 1 A 56 56 CYS CB C 56 32.099 28.118 3.981 1
1 596 . 12 1 1 A 56 56 CYS N N 56 124.504 123.465 1.039 1
1 597 . 12 1 1 A 57 57 GLY H H 57 9.174 8.809 0.365 1
1 598 . 12 1 1 A 57 57 GLY HA2 H 57 4.313 3.912 0.401 1
1 599 . 12 1 1 A 57 57 GLY HA3 H 57 3.668 3.928 -0.260 1
1 600 . 12 1 1 A 57 57 GLY C C 57 173.686 173.710 -0.024 1
1 601 . 12 1 1 A 57 57 GLY CA C 57 45.860 45.473 0.387 1
1 602 . 12 1 1 A 57 57 GLY N N 57 114.428 109.088 5.340 1
1 603 . 12 1 1 A 58 58 PHE H H 58 9.036 7.718 1.318 1
1 604 . 12 1 1 A 58 58 PHE HA H 58 4.623 4.891 -0.268 1
1 611 . 12 1 1 A 58 58 PHE C C 58 173.896 174.071 -0.175 1
1 612 . 12 1 1 A 58 58 PHE CA C 58 58.969 57.392 1.577 1
1 613 . 12 1 1 A 58 58 PHE CB C 58 41.132 42.412 -1.280 1
1 614 . 12 1 1 A 58 58 PHE N N 58 125.130 119.442 5.688 1
1 615 . 12 1 1 A 59 59 ALA H H 59 7.570 8.303 -0.733 1
1 616 . 12 1 1 A 59 59 ALA HA H 59 5.486 5.190 0.296 1
1 620 . 12 1 1 A 59 59 ALA C C 59 176.469 177.478 -1.009 1
1 621 . 12 1 1 A 59 59 ALA CA C 59 49.817 51.851 -2.034 1
1 622 . 12 1 1 A 59 59 ALA CB C 59 19.826 19.537 0.289 1
1 623 . 12 1 1 A 59 59 ALA N N 59 128.638 129.435 -0.797 1
1 624 . 12 1 1 A 60 60 PHE H H 60 9.387 9.181 0.206 1
1 625 . 12 1 1 A 60 60 PHE HA H 60 5.204 5.698 -0.494 1
1 632 . 12 1 1 A 60 60 PHE C C 60 172.955 172.776 0.179 1
1 633 . 12 1 1 A 60 60 PHE CA C 60 54.353 55.235 -0.882 1
1 634 . 12 1 1 A 60 60 PHE CB C 60 42.246 41.947 0.299 1
1 637 . 12 1 1 A 60 60 PHE N N 60 121.410 116.927 4.483 1
1 638 . 12 1 1 A 61 61 CYS H H 61 8.772 8.808 -0.036 1
1 639 . 12 1 1 A 61 61 CYS HA H 61 4.754 4.650 0.104 1
1 642 . 12 1 1 A 61 61 CYS C C 61 177.353 174.917 2.436 1
1 643 . 12 1 1 A 61 61 CYS CA C 61 58.032 57.510 0.522 1
1 644 . 12 1 1 A 61 61 CYS CB C 61 32.242 28.465 3.777 1
1 645 . 12 1 1 A 61 61 CYS N N 61 120.610 120.396 0.214 1
1 646 . 12 1 1 A 62 62 ARG H H 62 9.535 8.451 1.084 1
1 647 . 12 1 1 A 62 62 ARG HA H 62 4.027 3.912 0.115 1
1 654 . 12 1 1 A 62 62 ARG C C 62 175.657 178.006 -2.349 1
1 655 . 12 1 1 A 62 62 ARG CA C 62 59.330 59.574 -0.244 1
1 656 . 12 1 1 A 62 62 ARG CB C 62 31.196 29.961 1.235 1
1 659 . 12 1 1 A 62 62 ARG N N 62 130.041 127.959 2.082 1
1 660 . 12 1 1 A 63 63 GLU H H 63 8.721 8.194 0.527 1
1 661 . 12 1 1 A 63 63 GLU HA H 63 4.394 4.089 0.305 1
1 666 . 12 1 1 A 63 63 GLU C C 63 177.341 178.408 -1.067 1
1 667 . 12 1 1 A 63 63 GLU CA C 63 58.404 59.588 -1.184 1
1 668 . 12 1 1 A 63 63 GLU CB C 63 30.501 29.597 0.904 1
1 670 . 12 1 1 A 63 63 GLU N N 63 118.534 118.633 -0.099 1
1 671 . 12 1 1 A 64 64 CYS H H 64 8.050 7.282 0.768 1
1 672 . 12 1 1 A 64 64 CYS HA H 64 4.962 4.448 0.514 1
1 675 . 12 1 1 A 64 64 CYS C C 64 176.019 175.586 0.433 1
1 676 . 12 1 1 A 64 64 CYS CA C 64 58.858 58.533 0.325 1
1 677 . 12 1 1 A 64 64 CYS CB C 64 32.103 27.310 4.793 1
1 678 . 12 1 1 A 64 64 CYS N N 64 116.495 115.243 1.252 1
1 679 . 12 1 1 A 65 65 LYS H H 65 8.489 8.220 0.269 1
1 680 . 12 1 1 A 65 65 LYS HA H 65 4.191 4.238 -0.047 1
1 687 . 12 1 1 A 65 65 LYS C C 65 174.742 175.433 -0.691 1
1 688 . 12 1 1 A 65 65 LYS CA C 65 58.883 57.316 1.567 1
1 689 . 12 1 1 A 65 65 LYS CB C 65 28.865 30.189 -1.324 1
1 693 . 12 1 1 A 65 65 LYS N N 65 117.320 120.233 -2.913 1
1 694 . 12 1 1 A 66 66 GLU H H 66 8.272 7.427 0.845 1
1 695 . 12 1 1 A 66 66 GLU HA H 66 4.721 4.970 -0.249 1
1 700 . 12 1 1 A 66 66 GLU C C 66 175.422 175.676 -0.254 1
1 701 . 12 1 1 A 66 66 GLU CA C 66 55.285 54.558 0.727 1
1 702 . 12 1 1 A 66 66 GLU CB C 66 31.666 33.111 -1.445 1
1 704 . 12 1 1 A 66 66 GLU N N 66 117.719 119.302 -1.583 1
1 705 . 12 1 1 A 67 67 ALA H H 67 8.766 8.429 0.337 1
1 706 . 12 1 1 A 67 67 ALA HA H 67 4.177 4.464 -0.287 1
1 710 . 12 1 1 A 67 67 ALA C C 67 177.459 176.972 0.487 1
1 711 . 12 1 1 A 67 67 ALA CA C 67 53.019 53.180 -0.161 1
1 712 . 12 1 1 A 67 67 ALA CB C 67 18.548 19.217 -0.669 1
1 713 . 12 1 1 A 67 67 ALA N N 67 120.597 124.456 -3.859 1
1 714 . 12 1 1 A 68 68 TYR H H 68 8.061 9.006 -0.945 1
1 715 . 12 1 1 A 68 68 TYR HA H 68 4.531 4.307 0.224 1
1 722 . 12 1 1 A 68 68 TYR CA C 68 58.242 58.473 -0.231 1
1 723 . 12 1 1 A 68 68 TYR CB C 68 38.531 39.014 -0.483 1
1 728 . 12 1 1 A 68 68 TYR N N 68 120.592 124.510 -3.918 1
1 729 . 12 1 1 A 69 69 HIS HA H 69 4.643 4.478 0.165 1
1 734 . 12 1 1 A 69 69 HIS C C 69 173.158 175.162 -2.004 1
1 735 . 12 1 1 A 69 69 HIS CA C 69 51.310 57.156 -5.846 1
1 736 . 12 1 1 A 69 69 HIS CB C 69 32.038 30.194 1.844 1
1 739 . 12 1 1 A 70 70 GLU H H 70 8.796 8.016 0.780 1
1 740 . 12 1 1 A 70 70 GLU HA H 70 4.238 4.201 0.037 1
1 745 . 12 1 1 A 70 70 GLU C C 70 178.838 176.254 2.584 1
1 746 . 12 1 1 A 70 70 GLU CA C 70 55.450 57.819 -2.369 1
1 747 . 12 1 1 A 70 70 GLU CB C 70 30.527 27.215 3.312 1
1 749 . 12 1 1 A 70 70 GLU N N 70 120.194 115.734 4.460 1
1 750 . 12 1 1 A 71 71 GLY H H 71 8.876 7.937 0.939 1
1 751 . 12 1 1 A 71 71 GLY HA2 H 71 4.082 4.142 -0.060 1
1 752 . 12 1 1 A 71 71 GLY HA3 H 71 3.910 4.176 -0.266 1
1 753 . 12 1 1 A 71 71 GLY C C 71 173.634 171.486 2.148 1
1 754 . 12 1 1 A 71 71 GLY CA C 71 45.615 46.149 -0.534 1
1 755 . 12 1 1 A 71 71 GLY N N 71 111.118 106.523 4.595 1
1 756 . 12 1 1 A 72 72 GLU H H 72 8.391 8.063 0.328 1
1 757 . 12 1 1 A 72 72 GLU HA H 72 4.360 4.608 -0.248 1
1 762 . 12 1 1 A 72 72 GLU C C 72 177.319 175.245 2.074 1
1 763 . 12 1 1 A 72 72 GLU CA C 72 56.571 55.219 1.352 1
1 764 . 12 1 1 A 72 72 GLU CB C 72 30.411 33.454 -3.043 1
1 766 . 12 1 1 A 72 72 GLU N N 72 118.939 120.769 -1.830 1
1 767 . 12 1 1 A 73 73 CYS H H 73 8.574 8.832 -0.258 1
1 768 . 12 1 1 A 73 73 CYS HA H 73 3.770 4.117 -0.347 1
1 771 . 12 1 1 A 73 73 CYS C C 73 176.052 177.086 -1.034 1
1 772 . 12 1 1 A 73 73 CYS CA C 73 60.416 62.499 -2.083 1
1 773 . 12 1 1 A 73 73 CYS CB C 73 30.793 26.859 3.934 1
1 774 . 12 1 1 A 73 73 CYS N N 73 123.479 123.229 0.250 1
1 775 . 12 1 1 A 74 74 SER H H 74 8.541 7.590 0.951 1
1 776 . 12 1 1 A 74 74 SER HA H 74 4.288 4.196 0.092 1
1 779 . 12 1 1 A 74 74 SER C C 74 174.140 175.721 -1.581 1
1 780 . 12 1 1 A 74 74 SER CA C 74 58.591 62.135 -3.544 1
1 781 . 12 1 1 A 74 74 SER CB C 74 63.626 63.107 0.519 1
1 782 . 12 1 1 A 74 74 SER N N 74 117.297 116.137 1.160 1
1 783 . 12 1 1 A 75 75 ALA H H 75 8.092 7.554 0.538 1
1 784 . 12 1 1 A 75 75 ALA HA H 75 4.312 4.241 0.071 1
1 788 . 12 1 1 A 75 75 ALA C C 75 177.173 177.219 -0.046 1
1 789 . 12 1 1 A 75 75 ALA CA C 75 52.403 52.848 -0.445 1
1 790 . 12 1 1 A 75 75 ALA CB C 75 19.546 19.156 0.390 1
1 791 . 12 1 1 A 75 75 ALA N N 75 125.952 122.189 3.763 1
1 792 . 12 1 1 A 76 76 VAL H H 76 7.934 8.530 -0.596 1
1 793 . 12 1 1 A 76 76 VAL HA H 76 4.028 4.651 -0.623 1
1 801 . 12 1 1 A 76 76 VAL C C 76 175.784 175.721 0.063 1
1 802 . 12 1 1 A 76 76 VAL CA C 76 62.265 60.911 1.354 1
1 803 . 12 1 1 A 76 76 VAL CB C 76 32.893 34.903 -2.010 1
1 806 . 12 1 1 A 76 76 VAL N N 76 118.959 120.792 -1.833 1
1 807 . 12 1 1 A 77 77 PHE H H 77 8.283 8.960 -0.677 1
1 808 . 12 1 1 A 77 77 PHE HA H 77 4.670 4.696 -0.026 1
1 813 . 12 1 1 A 77 77 PHE C C 77 175.335 175.465 -0.130 1
1 814 . 12 1 1 A 77 77 PHE CA C 77 57.588 57.284 0.304 1
1 815 . 12 1 1 A 77 77 PHE CB C 77 39.899 39.812 0.087 1
1 818 . 12 1 1 A 77 77 PHE N N 77 124.298 123.940 0.358 1
1 819 . 12 1 1 A 78 78 GLU H H 78 8.262 8.997 -0.735 1
1 820 . 12 1 1 A 78 78 GLU HA H 78 4.251 3.951 0.300 1
1 825 . 12 1 1 A 78 78 GLU C C 78 175.451 176.598 -1.147 1
1 826 . 12 1 1 A 78 78 GLU CA C 78 56.179 57.031 -0.852 1
1 827 . 12 1 1 A 78 78 GLU CB C 78 30.676 28.167 2.509 1
1 829 . 12 1 1 A 78 78 GLU N N 78 123.482 119.451 4.031 1
1 830 . 12 1 1 A 79 79 ALA H H 79 8.279 7.723 0.556 1
1 831 . 12 1 1 A 79 79 ALA HA H 79 4.341 4.043 0.298 1
1 835 . 12 1 1 A 79 79 ALA C C 79 176.767 179.637 -2.870 1
1 836 . 12 1 1 A 79 79 ALA CA C 79 52.512 54.926 -2.414 1
1 837 . 12 1 1 A 79 79 ALA CB C 79 19.493 18.821 0.672 1
1 838 . 12 1 1 A 79 79 ALA N N 79 126.363 121.449 4.914 1
1 6 . 13 1 1 A 2 2 HIS H H 2 7.929 8.406 -0.477 1
1 9 . 13 1 1 A 2 2 HIS CB C 2 31.017 32.454 -1.437 1
1 12 . 13 1 1 A 2 2 HIS N N 2 118.946 117.481 1.465 1
1 13 . 13 1 1 A 3 3 MET HA H 3 4.537 4.305 0.232 1
1 16 . 13 1 1 A 3 3 MET C C 3 176.240 176.879 -0.639 1
1 17 . 13 1 1 A 3 3 MET CA C 3 55.681 56.120 -0.439 1
1 18 . 13 1 1 A 3 3 MET CB C 3 33.063 32.702 0.361 1
1 20 . 13 1 1 A 4 4 GLY H H 4 8.155 8.860 -0.705 1
1 21 . 13 1 1 A 4 4 GLY HA2 H 4 4.031 3.808 0.223 1
1 22 . 13 1 1 A 4 4 GLY HA3 H 4 4.031 3.823 0.208 1
1 23 . 13 1 1 A 4 4 GLY C C 4 174.348 174.625 -0.277 1
1 24 . 13 1 1 A 4 4 GLY CA C 4 45.418 47.111 -1.693 1
1 25 . 13 1 1 A 4 4 GLY N N 4 108.673 112.385 -3.712 1
1 26 . 13 1 1 A 5 5 GLU H H 5 8.351 8.183 0.168 1
1 27 . 13 1 1 A 5 5 GLU HA H 5 4.275 3.811 0.464 1
1 32 . 13 1 1 A 5 5 GLU C C 5 177.037 174.866 2.171 1
1 33 . 13 1 1 A 5 5 GLU CA C 5 57.098 57.832 -0.734 1
1 34 . 13 1 1 A 5 5 GLU CB C 5 30.282 27.689 2.593 1
1 36 . 13 1 1 A 5 5 GLU N N 5 120.605 116.697 3.908 1
1 37 . 13 1 1 A 6 6 GLU H H 6 8.641 7.613 1.028 1
1 38 . 13 1 1 A 6 6 GLU HA H 6 4.248 4.846 -0.598 1
1 43 . 13 1 1 A 6 6 GLU C C 6 176.799 175.125 1.674 1
1 44 . 13 1 1 A 6 6 GLU CA C 6 57.344 54.603 2.741 1
1 45 . 13 1 1 A 6 6 GLU CB C 6 29.842 33.065 -3.223 1
1 47 . 13 1 1 A 6 6 GLU N N 6 121.425 117.519 3.906 1
1 48 . 13 1 1 A 7 7 GLN H H 7 8.304 8.356 -0.052 1
1 53 . 13 1 1 A 7 7 GLN C C 7 175.537 175.039 0.498 1
1 54 . 13 1 1 A 7 7 GLN CA C 7 56.292 56.039 0.253 1
1 55 . 13 1 1 A 7 7 GLN CB C 7 29.164 30.092 -0.928 1
1 57 . 13 1 1 A 7 7 GLN N N 7 120.185 122.113 -1.928 1
1 59 . 13 1 1 A 8 8 TYR H H 8 8.221 8.936 -0.715 1
1 60 . 13 1 1 A 8 8 TYR HA H 8 4.606 5.093 -0.487 1
1 67 . 13 1 1 A 8 8 TYR C C 8 175.728 175.302 0.426 1
1 68 . 13 1 1 A 8 8 TYR CA C 8 58.138 56.464 1.674 1
1 69 . 13 1 1 A 8 8 TYR CB C 8 38.766 40.459 -1.693 1
1 70 . 13 1 1 A 8 8 TYR N N 8 120.918 119.265 1.653 1
1 71 . 13 1 1 A 9 9 ASN H H 9 8.288 8.674 -0.386 1
1 72 . 13 1 1 A 9 9 ASN HA H 9 4.654 4.837 -0.183 1
1 77 . 13 1 1 A 9 9 ASN C C 9 175.439 175.280 0.159 1
1 78 . 13 1 1 A 9 9 ASN CA C 9 53.435 52.128 1.307 1
1 79 . 13 1 1 A 9 9 ASN CB C 9 38.790 38.187 0.603 1
1 80 . 13 1 1 A 9 9 ASN N N 9 120.180 120.857 -0.677 1
1 82 . 13 1 1 A 10 10 ARG H H 10 8.128 7.618 0.510 1
1 83 . 13 1 1 A 10 10 ARG HA H 10 4.171 4.110 0.061 1
1 90 . 13 1 1 A 10 10 ARG C C 10 176.244 176.162 0.082 1
1 91 . 13 1 1 A 10 10 ARG CA C 10 57.023 56.537 0.486 1
1 92 . 13 1 1 A 10 10 ARG CB C 10 30.535 30.872 -0.337 1
1 95 . 13 1 1 A 10 10 ARG N N 10 121.014 121.554 -0.540 1
1 96 . 13 1 1 A 11 11 TYR H H 11 8.108 8.715 -0.607 1
1 97 . 13 1 1 A 11 11 TYR HA H 11 4.543 4.311 0.232 1
1 104 . 13 1 1 A 11 11 TYR C C 11 175.929 175.782 0.147 1
1 105 . 13 1 1 A 11 11 TYR CA C 11 58.219 60.526 -2.307 1
1 106 . 13 1 1 A 11 11 TYR CB C 11 38.365 39.155 -0.790 1
1 107 . 13 1 1 A 11 11 TYR N N 11 119.776 125.846 -6.070 1
1 108 . 13 1 1 A 12 12 GLN H H 12 8.050 7.972 0.078 1
1 109 . 13 1 1 A 12 12 GLN HA H 12 4.269 3.875 0.394 1
1 116 . 13 1 1 A 12 12 GLN C C 12 175.917 175.142 0.775 1
1 117 . 13 1 1 A 12 12 GLN CA C 12 56.240 56.801 -0.561 1
1 118 . 13 1 1 A 12 12 GLN CB C 12 29.463 26.669 2.794 1
1 120 . 13 1 1 A 12 12 GLN N N 12 120.992 117.539 3.453 1
1 122 . 13 1 1 A 13 13 GLN H H 13 8.065 7.776 0.289 1
1 123 . 13 1 1 A 13 13 GLN HA H 13 4.202 4.127 0.075 1
1 130 . 13 1 1 A 13 13 GLN C C 13 175.644 175.476 0.168 1
1 131 . 13 1 1 A 13 13 GLN CA C 13 56.242 56.199 0.043 1
1 132 . 13 1 1 A 13 13 GLN CB C 13 29.394 29.800 -0.406 1
1 134 . 13 1 1 A 13 13 GLN N N 13 120.539 117.338 3.201 1
1 136 . 13 1 1 A 14 14 TYR H H 14 8.212 8.188 0.024 1
1 137 . 13 1 1 A 14 14 TYR HA H 14 4.572 4.445 0.127 1
1 144 . 13 1 1 A 14 14 TYR C C 14 176.382 176.137 0.245 1
1 145 . 13 1 1 A 14 14 TYR CA C 14 57.958 58.570 -0.612 1
1 146 . 13 1 1 A 14 14 TYR CB C 14 38.983 39.066 -0.083 1
1 151 . 13 1 1 A 14 14 TYR N N 14 120.582 121.016 -0.434 1
1 152 . 13 1 1 A 15 15 GLY H H 15 8.405 8.454 -0.049 1
1 153 . 13 1 1 A 15 15 GLY HA2 H 15 3.933 4.095 -0.162 1
1 154 . 13 1 1 A 15 15 GLY HA3 H 15 3.933 4.099 -0.166 1
1 155 . 13 1 1 A 15 15 GLY C C 15 173.776 174.083 -0.307 1
1 156 . 13 1 1 A 15 15 GLY CA C 15 45.407 45.850 -0.443 1
1 157 . 13 1 1 A 15 15 GLY N N 15 110.724 109.519 1.205 1
1 158 . 13 1 1 A 16 16 ALA H H 16 8.160 8.009 0.151 1
1 159 . 13 1 1 A 16 16 ALA HA H 16 4.302 4.559 -0.257 1
1 163 . 13 1 1 A 16 16 ALA C C 16 178.147 176.427 1.720 1
1 164 . 13 1 1 A 16 16 ALA CA C 16 53.034 51.224 1.810 1
1 165 . 13 1 1 A 16 16 ALA CB C 16 19.392 20.613 -1.221 1
1 166 . 13 1 1 A 16 16 ALA N N 16 123.489 123.932 -0.443 1
1 167 . 13 1 1 A 17 17 GLU H H 17 8.612 8.798 -0.186 1
1 168 . 13 1 1 A 17 17 GLU HA H 17 4.169 4.626 -0.457 1
1 173 . 13 1 1 A 17 17 GLU C C 17 177.000 175.677 1.323 1
1 174 . 13 1 1 A 17 17 GLU CA C 17 57.837 55.975 1.862 1
1 175 . 13 1 1 A 17 17 GLU CB C 17 29.881 30.670 -0.789 1
1 177 . 13 1 1 A 17 17 GLU N N 17 119.373 122.312 -2.939 1
1 178 . 13 1 1 A 18 18 GLU H H 18 8.413 8.990 -0.577 1
1 179 . 13 1 1 A 18 18 GLU HA H 18 4.210 5.075 -0.865 1
1 184 . 13 1 1 A 18 18 GLU C C 18 177.015 174.420 2.595 1
1 185 . 13 1 1 A 18 18 GLU CA C 18 57.641 54.943 2.698 1
1 186 . 13 1 1 A 18 18 GLU CB C 18 29.980 32.602 -2.622 1
1 188 . 13 1 1 A 18 18 GLU N N 18 120.184 123.733 -3.549 1
1 189 . 13 1 1 A 19 19 CYS H H 19 8.253 8.677 -0.424 1
1 190 . 13 1 1 A 19 19 CYS HA H 19 4.381 4.747 -0.366 1
1 193 . 13 1 1 A 19 19 CYS C C 19 175.552 175.052 0.500 1
1 194 . 13 1 1 A 19 19 CYS CA C 19 59.819 57.379 2.440 1
1 195 . 13 1 1 A 19 19 CYS CB C 19 27.554 28.657 -1.103 1
1 196 . 13 1 1 A 19 19 CYS N N 19 119.775 124.628 -4.853 1
1 197 . 13 1 1 A 20 20 VAL H H 20 8.051 8.424 -0.373 1
1 198 . 13 1 1 A 20 20 VAL HA H 20 3.939 3.796 0.143 1
1 206 . 13 1 1 A 20 20 VAL C C 20 173.904 175.029 -1.125 1
1 207 . 13 1 1 A 20 20 VAL CA C 20 64.113 63.203 0.910 1
1 208 . 13 1 1 A 20 20 VAL CB C 20 32.316 29.656 2.660 1
1 211 . 13 1 1 A 20 20 VAL N N 20 121.008 124.705 -3.697 1
1 212 . 13 1 1 A 21 21 LEU H H 21 8.190 7.701 0.489 1
1 213 . 13 1 1 A 21 21 LEU HA H 21 4.648 5.112 -0.464 1
1 222 . 13 1 1 A 21 21 LEU CA C 21 54.565 52.767 1.798 1
1 223 . 13 1 1 A 21 21 LEU CB C 21 41.542 44.690 -3.148 1
1 225 . 13 1 1 A 21 21 LEU N N 21 123.470 119.374 4.096 1
1 226 . 13 1 1 A 22 22 GLN H H 22 8.322 8.804 -0.482 1
1 227 . 13 1 1 A 22 22 GLN HA H 22 4.046 5.017 -0.971 1
1 230 . 13 1 1 A 22 22 GLN C C 22 176.428 174.593 1.835 1
1 231 . 13 1 1 A 22 22 GLN CA C 22 56.800 54.599 2.201 1
1 232 . 13 1 1 A 22 22 GLN CB C 22 29.116 32.549 -3.433 1
1 234 . 13 1 1 A 22 22 GLN N N 22 120.999 117.893 3.106 1
1 236 . 13 1 1 A 23 23 MET H H 23 7.958 8.429 -0.471 1
1 237 . 13 1 1 A 23 23 MET HA H 23 4.487 4.735 -0.248 1
1 245 . 13 1 1 A 23 23 MET C C 23 176.558 177.789 -1.231 1
1 246 . 13 1 1 A 23 23 MET CA C 23 55.842 55.988 -0.146 1
1 247 . 13 1 1 A 23 23 MET CB C 23 32.712 34.128 -1.416 1
1 250 . 13 1 1 A 23 23 MET N N 23 118.950 119.377 -0.427 1
1 251 . 13 1 1 A 24 24 GLY H H 24 8.549 8.381 0.168 1
1 252 . 13 1 1 A 24 24 GLY HA2 H 24 4.163 3.776 0.387 1
1 253 . 13 1 1 A 24 24 GLY HA3 H 24 3.919 3.777 0.142 1
1 254 . 13 1 1 A 24 24 GLY C C 24 174.799 176.074 -1.275 1
1 255 . 13 1 1 A 24 24 GLY CA C 24 45.547 47.420 -1.873 1
1 256 . 13 1 1 A 24 24 GLY N N 24 110.724 108.582 2.142 1
1 257 . 13 1 1 A 25 25 GLY H H 25 8.216 8.170 0.046 1
1 258 . 13 1 1 A 25 25 GLY HA2 H 25 4.455 3.976 0.479 1
1 259 . 13 1 1 A 25 25 GLY HA3 H 25 3.921 3.984 -0.063 1
1 260 . 13 1 1 A 25 25 GLY C C 25 172.658 172.810 -0.152 1
1 261 . 13 1 1 A 25 25 GLY CA C 25 45.087 45.901 -0.814 1
1 262 . 13 1 1 A 25 25 GLY N N 25 107.443 109.167 -1.724 1
1 263 . 13 1 1 A 26 26 VAL H H 26 8.726 9.006 -0.280 1
1 264 . 13 1 1 A 26 26 VAL HA H 26 4.533 5.167 -0.634 1
1 272 . 13 1 1 A 26 26 VAL C C 26 172.923 174.522 -1.599 1
1 273 . 13 1 1 A 26 26 VAL CA C 26 59.864 58.968 0.896 1
1 274 . 13 1 1 A 26 26 VAL CB C 26 35.551 34.926 0.625 1
1 277 . 13 1 1 A 26 26 VAL N N 26 116.467 120.404 -3.937 1
1 278 . 13 1 1 A 27 27 LEU H H 27 8.201 8.786 -0.585 1
1 279 . 13 1 1 A 27 27 LEU HA H 27 5.057 5.033 0.024 1
1 289 . 13 1 1 A 27 27 LEU C C 27 176.746 174.957 1.789 1
1 290 . 13 1 1 A 27 27 LEU CA C 27 53.134 53.365 -0.231 1
1 291 . 13 1 1 A 27 27 LEU CB C 27 42.926 45.915 -2.989 1
1 294 . 13 1 1 A 27 27 LEU N N 27 124.428 120.233 4.195 1
1 295 . 13 1 1 A 28 28 CYS H H 28 8.902 8.546 0.356 1
1 296 . 13 1 1 A 28 28 CYS HA H 28 4.158 4.621 -0.463 1
1 299 . 13 1 1 A 28 28 CYS CA C 28 57.728 57.381 0.347 1
1 300 . 13 1 1 A 28 28 CYS CB C 28 32.175 28.516 3.659 1
1 301 . 13 1 1 A 28 28 CYS N N 28 127.173 118.210 8.963 1
1 302 . 13 1 1 A 29 29 PRO HA H 29 4.410 4.485 -0.075 1
1 309 . 13 1 1 A 29 29 PRO C C 29 177.459 176.376 1.083 1
1 310 . 13 1 1 A 29 29 PRO CA C 29 62.872 63.543 -0.671 1
1 311 . 13 1 1 A 29 29 PRO CB C 29 32.813 31.841 0.972 1
1 314 . 13 1 1 A 30 30 ARG H H 30 9.132 7.559 1.573 1
1 315 . 13 1 1 A 30 30 ARG HA H 30 4.087 4.401 -0.314 1
1 322 . 13 1 1 A 30 30 ARG CA C 30 55.102 54.790 0.312 1
1 323 . 13 1 1 A 30 30 ARG CB C 30 29.469 29.739 -0.270 1
1 326 . 13 1 1 A 30 30 ARG N N 30 127.589 121.125 6.464 1
1 327 . 13 1 1 A 31 31 PRO HA H 31 4.242 4.461 -0.219 1
1 334 . 13 1 1 A 31 31 PRO C C 31 177.828 177.209 0.619 1
1 335 . 13 1 1 A 31 31 PRO CA C 31 64.202 63.960 0.242 1
1 336 . 13 1 1 A 31 31 PRO CB C 31 31.518 31.863 -0.345 1
1 339 . 13 1 1 A 32 32 GLY H H 32 8.773 7.550 1.223 1
1 340 . 13 1 1 A 32 32 GLY HA2 H 32 4.065 4.117 -0.052 1
1 341 . 13 1 1 A 32 32 GLY HA3 H 32 3.706 4.118 -0.412 1
1 342 . 13 1 1 A 32 32 GLY C C 32 173.340 174.345 -1.005 1
1 343 . 13 1 1 A 32 32 GLY CA C 32 45.272 45.768 -0.496 1
1 344 . 13 1 1 A 32 32 GLY N N 32 111.942 104.124 7.818 1
1 345 . 13 1 1 A 33 33 CYS H H 33 7.749 8.322 -0.573 1
1 346 . 13 1 1 A 33 33 CYS HA H 33 4.528 4.607 -0.079 1
1 349 . 13 1 1 A 33 33 CYS CA C 33 60.515 59.618 0.897 1
1 350 . 13 1 1 A 33 33 CYS CB C 33 29.641 29.695 -0.054 1
1 351 . 13 1 1 A 33 33 CYS N N 33 123.343 119.184 4.159 1
1 352 . 13 1 1 A 34 34 GLY H H 34 8.351 8.007 0.344 1
1 353 . 13 1 1 A 34 34 GLY HA2 H 34 4.120 3.872 0.248 1
1 354 . 13 1 1 A 34 34 GLY HA3 H 34 3.911 3.877 0.034 1
1 355 . 13 1 1 A 34 34 GLY C C 34 173.849 175.292 -1.443 1
1 356 . 13 1 1 A 34 34 GLY CA C 34 46.225 47.106 -0.881 1
1 357 . 13 1 1 A 34 34 GLY N N 34 106.570 108.742 -2.172 1
1 358 . 13 1 1 A 35 35 ALA H H 35 8.591 8.110 0.481 1
1 359 . 13 1 1 A 35 35 ALA HA H 35 4.091 4.026 0.065 1
1 363 . 13 1 1 A 35 35 ALA C C 35 176.818 178.138 -1.320 1
1 364 . 13 1 1 A 35 35 ALA CA C 35 53.757 55.007 -1.250 1
1 365 . 13 1 1 A 35 35 ALA CB C 35 20.271 18.695 1.576 1
1 366 . 13 1 1 A 35 35 ALA N N 35 125.109 123.218 1.891 1
1 367 . 13 1 1 A 36 36 GLY H H 36 8.348 8.206 0.142 1
1 368 . 13 1 1 A 36 36 GLY HA2 H 36 4.412 3.902 0.510 1
1 369 . 13 1 1 A 36 36 GLY HA3 H 36 3.479 3.913 -0.434 1
1 370 . 13 1 1 A 36 36 GLY C C 36 177.324 173.468 3.856 1
1 371 . 13 1 1 A 36 36 GLY CA C 36 45.847 47.086 -1.239 1
1 372 . 13 1 1 A 36 36 GLY N N 36 106.607 106.396 0.211 1
1 373 . 13 1 1 A 37 37 LEU H H 37 8.190 7.571 0.619 1
1 374 . 13 1 1 A 37 37 LEU HA H 37 4.753 5.041 -0.288 1
1 384 . 13 1 1 A 37 37 LEU C C 37 177.064 174.827 2.237 1
1 385 . 13 1 1 A 37 37 LEU CB C 37 44.730 46.327 -1.597 1
1 389 . 13 1 1 A 37 37 LEU N N 37 123.541 115.064 8.477 1
1 390 . 13 1 1 A 38 38 LEU H H 38 8.210 8.844 -0.634 1
1 391 . 13 1 1 A 38 38 LEU HA H 38 4.981 4.996 -0.015 1
1 401 . 13 1 1 A 38 38 LEU CA C 38 51.755 51.403 0.352 1
1 402 . 13 1 1 A 38 38 LEU CB C 38 42.309 43.641 -1.332 1
1 405 . 13 1 1 A 38 38 LEU N N 38 124.280 122.664 1.616 1
1 406 . 13 1 1 A 39 39 PRO HA H 39 4.600 4.566 0.034 1
1 413 . 13 1 1 A 39 39 PRO C C 39 176.647 176.352 0.295 1
1 414 . 13 1 1 A 39 39 PRO CA C 39 62.130 62.144 -0.014 1
1 415 . 13 1 1 A 39 39 PRO CB C 39 32.686 32.742 -0.056 1
1 418 . 13 1 1 A 40 40 GLU H H 40 8.631 8.458 0.173 1
1 419 . 13 1 1 A 40 40 GLU HA H 40 4.485 4.339 0.146 1
1 424 . 13 1 1 A 40 40 GLU CA C 40 55.067 55.177 -0.110 1
1 425 . 13 1 1 A 40 40 GLU CB C 40 29.310 29.300 0.010 1
1 426 . 13 1 1 A 40 40 GLU N N 40 122.240 120.715 1.525 1
1 427 . 13 1 1 A 41 41 PRO HA H 41 3.869 4.423 -0.554 1
1 434 . 13 1 1 A 41 41 PRO C C 41 176.908 174.650 2.258 1
1 435 . 13 1 1 A 41 41 PRO CA C 41 64.772 63.968 0.804 1
1 436 . 13 1 1 A 41 41 PRO CB C 41 32.172 31.257 0.915 1
1 439 . 13 1 1 A 42 42 ASP H H 42 8.486 7.642 0.844 1
1 440 . 13 1 1 A 42 42 ASP HA H 42 4.456 4.944 -0.488 1
1 443 . 13 1 1 A 42 42 ASP C C 42 175.265 176.056 -0.791 1
1 444 . 13 1 1 A 42 42 ASP CA C 42 54.480 52.529 1.951 1
1 445 . 13 1 1 A 42 42 ASP CB C 42 40.139 42.380 -2.241 1
1 446 . 13 1 1 A 42 42 ASP N N 42 114.895 115.298 -0.403 1
1 447 . 13 1 1 A 43 43 GLN H H 43 7.280 8.815 -1.535 1
1 448 . 13 1 1 A 43 43 GLN HA H 43 4.420 3.994 0.426 1
1 455 . 13 1 1 A 43 43 GLN CA C 43 54.877 58.172 -3.295 1
1 456 . 13 1 1 A 43 43 GLN CB C 43 30.219 27.991 2.228 1
1 458 . 13 1 1 A 43 43 GLN N N 43 118.523 122.453 -3.930 1
1 460 . 13 1 1 A 44 44 ARG H H 44 8.207 7.840 0.367 1
1 461 . 13 1 1 A 44 44 ARG HA H 44 4.206 4.112 0.094 1
1 468 . 13 1 1 A 44 44 ARG C C 44 175.581 176.918 -1.337 1
1 469 . 13 1 1 A 44 44 ARG CA C 44 58.285 58.806 -0.521 1
1 470 . 13 1 1 A 44 44 ARG CB C 44 32.175 30.197 1.978 1
1 473 . 13 1 1 A 44 44 ARG N N 44 120.127 118.677 1.450 1
1 474 . 13 1 1 A 45 45 LYS H H 45 7.909 7.407 0.502 1
1 475 . 13 1 1 A 45 45 LYS HA H 45 3.985 4.728 -0.743 1
1 484 . 13 1 1 A 45 45 LYS C C 45 174.753 174.093 0.660 1
1 485 . 13 1 1 A 45 45 LYS CA C 45 56.378 55.662 0.716 1
1 486 . 13 1 1 A 45 45 LYS CB C 45 32.190 34.908 -2.718 1
1 490 . 13 1 1 A 45 45 LYS N N 45 118.935 119.129 -0.194 1
1 491 . 13 1 1 A 46 46 VAL H H 46 8.574 9.005 -0.431 1
1 492 . 13 1 1 A 46 46 VAL HA H 46 3.870 4.539 -0.669 1
1 500 . 13 1 1 A 46 46 VAL C C 46 173.589 174.556 -0.967 1
1 501 . 13 1 1 A 46 46 VAL CA C 46 60.777 61.003 -0.226 1
1 502 . 13 1 1 A 46 46 VAL CB C 46 32.263 32.487 -0.224 1
1 505 . 13 1 1 A 46 46 VAL N N 46 130.468 127.043 3.425 1
1 506 . 13 1 1 A 47 47 THR H H 47 8.098 8.865 -0.767 1
1 507 . 13 1 1 A 47 47 THR HA H 47 4.864 4.517 0.347 1
1 512 . 13 1 1 A 47 47 THR C C 47 173.666 175.185 -1.519 1
1 513 . 13 1 1 A 47 47 THR CA C 47 61.070 61.996 -0.926 1
1 514 . 13 1 1 A 47 47 THR CB C 47 69.693 69.705 -0.012 1
1 516 . 13 1 1 A 47 47 THR N N 47 120.392 122.004 -1.612 1
1 517 . 13 1 1 A 48 48 CYS H H 48 8.928 9.304 -0.376 1
1 518 . 13 1 1 A 48 48 CYS HA H 48 4.581 4.382 0.199 1
1 521 . 13 1 1 A 48 48 CYS C C 48 174.212 176.918 -2.706 1
1 522 . 13 1 1 A 48 48 CYS CA C 48 59.848 62.492 -2.644 1
1 523 . 13 1 1 A 48 48 CYS CB C 48 29.425 27.107 2.318 1
1 524 . 13 1 1 A 48 48 CYS N N 48 130.472 125.957 4.515 1
1 525 . 13 1 1 A 49 49 GLU H H 49 7.552 8.171 -0.619 1
1 526 . 13 1 1 A 49 49 GLU HA H 49 4.647 4.365 0.282 1
1 531 . 13 1 1 A 49 49 GLU C C 49 175.297 177.112 -1.815 1
1 532 . 13 1 1 A 49 49 GLU CA C 49 55.852 59.574 -3.722 1
1 533 . 13 1 1 A 49 49 GLU CB C 49 31.404 28.921 2.483 1
1 535 . 13 1 1 A 49 49 GLU N N 49 128.705 121.254 7.451 1
1 536 . 13 1 1 A 50 50 GLY H H 50 8.459 7.995 0.464 1
1 537 . 13 1 1 A 50 50 GLY HA2 H 50 4.128 3.867 0.261 1
1 538 . 13 1 1 A 50 50 GLY HA3 H 50 3.916 3.880 0.036 1
1 539 . 13 1 1 A 50 50 GLY C C 50 174.247 174.888 -0.641 1
1 540 . 13 1 1 A 50 50 GLY CA C 50 45.243 46.717 -1.474 1
1 541 . 13 1 1 A 50 50 GLY N N 50 109.953 107.438 2.515 1
1 542 . 13 1 1 A 51 51 GLY H H 51 8.548 8.690 -0.142 1
1 543 . 13 1 1 A 51 51 GLY HA2 H 51 3.991 4.180 -0.189 1
1 544 . 13 1 1 A 51 51 GLY HA3 H 51 3.991 4.181 -0.190 1
1 545 . 13 1 1 A 51 51 GLY C C 51 174.381 174.880 -0.499 1
1 546 . 13 1 1 A 51 51 GLY CA C 51 45.714 45.455 0.259 1
1 547 . 13 1 1 A 51 51 GLY N N 51 109.074 112.181 -3.107 1
1 548 . 13 1 1 A 52 52 ASN H H 52 8.740 7.721 1.019 1
1 549 . 13 1 1 A 52 52 ASN HA H 52 4.566 4.737 -0.171 1
1 554 . 13 1 1 A 52 52 ASN C C 52 175.686 175.748 -0.062 1
1 555 . 13 1 1 A 52 52 ASN CA C 52 53.618 54.951 -1.333 1
1 556 . 13 1 1 A 52 52 ASN CB C 52 38.009 40.192 -2.183 1
1 557 . 13 1 1 A 52 52 ASN N N 52 118.415 117.767 0.648 1
1 559 . 13 1 1 A 53 53 GLY H H 53 8.367 7.461 0.906 1
1 560 . 13 1 1 A 53 53 GLY HA2 H 53 4.101 4.114 -0.013 1
1 561 . 13 1 1 A 53 53 GLY HA3 H 53 3.808 4.114 -0.306 1
1 562 . 13 1 1 A 53 53 GLY C C 53 174.323 174.215 0.108 1
1 563 . 13 1 1 A 53 53 GLY CA C 53 45.675 46.102 -0.427 1
1 564 . 13 1 1 A 53 53 GLY N N 53 107.419 105.638 1.781 1
1 565 . 13 1 1 A 54 54 LEU H H 54 7.703 8.084 -0.381 1
1 566 . 13 1 1 A 54 54 LEU HA H 54 4.405 4.416 -0.011 1
1 576 . 13 1 1 A 54 54 LEU C C 54 177.359 176.275 1.084 1
1 577 . 13 1 1 A 54 54 LEU CA C 54 55.162 54.811 0.351 1
1 578 . 13 1 1 A 54 54 LEU CB C 54 42.742 42.607 0.135 1
1 582 . 13 1 1 A 54 54 LEU N N 54 121.020 121.272 -0.252 1
1 583 . 13 1 1 A 55 55 GLY H H 55 8.265 8.478 -0.213 1
1 584 . 13 1 1 A 55 55 GLY HA2 H 55 4.112 4.271 -0.159 1
1 585 . 13 1 1 A 55 55 GLY HA3 H 55 4.112 4.280 -0.168 1
1 586 . 13 1 1 A 55 55 GLY C C 55 174.453 174.840 -0.387 1
1 587 . 13 1 1 A 55 55 GLY CA C 55 45.438 45.215 0.223 1
1 588 . 13 1 1 A 55 55 GLY N N 55 109.910 108.227 1.683 1
1 589 . 13 1 1 A 56 56 CYS H H 56 10.071 8.946 1.125 1
1 590 . 13 1 1 A 56 56 CYS HA H 56 4.928 4.236 0.692 1
1 593 . 13 1 1 A 56 56 CYS C C 56 177.993 175.285 2.708 1
1 594 . 13 1 1 A 56 56 CYS CA C 56 59.541 60.410 -0.869 1
1 595 . 13 1 1 A 56 56 CYS CB C 56 32.099 28.001 4.098 1
1 596 . 13 1 1 A 56 56 CYS N N 56 124.504 124.170 0.334 1
1 597 . 13 1 1 A 57 57 GLY H H 57 9.174 8.774 0.400 1
1 598 . 13 1 1 A 57 57 GLY HA2 H 57 4.313 3.906 0.407 1
1 599 . 13 1 1 A 57 57 GLY HA3 H 57 3.668 3.925 -0.257 1
1 600 . 13 1 1 A 57 57 GLY C C 57 173.686 173.773 -0.087 1
1 601 . 13 1 1 A 57 57 GLY CA C 57 45.860 45.392 0.468 1
1 602 . 13 1 1 A 57 57 GLY N N 57 114.428 108.994 5.434 1
1 603 . 13 1 1 A 58 58 PHE H H 58 9.036 7.758 1.278 1
1 604 . 13 1 1 A 58 58 PHE HA H 58 4.623 4.847 -0.224 1
1 611 . 13 1 1 A 58 58 PHE C C 58 173.896 174.362 -0.466 1
1 612 . 13 1 1 A 58 58 PHE CA C 58 58.969 56.797 2.172 1
1 613 . 13 1 1 A 58 58 PHE CB C 58 41.132 41.273 -0.141 1
1 614 . 13 1 1 A 58 58 PHE N N 58 125.130 120.040 5.090 1
1 615 . 13 1 1 A 59 59 ALA H H 59 7.570 8.487 -0.917 1
1 616 . 13 1 1 A 59 59 ALA HA H 59 5.486 4.768 0.718 1
1 620 . 13 1 1 A 59 59 ALA C C 59 176.469 177.186 -0.717 1
1 621 . 13 1 1 A 59 59 ALA CA C 59 49.817 52.624 -2.807 1
1 622 . 13 1 1 A 59 59 ALA CB C 59 19.826 19.340 0.486 1
1 623 . 13 1 1 A 59 59 ALA N N 59 128.638 130.242 -1.604 1
1 624 . 13 1 1 A 60 60 PHE H H 60 9.387 8.552 0.835 1
1 625 . 13 1 1 A 60 60 PHE HA H 60 5.204 5.605 -0.401 1
1 632 . 13 1 1 A 60 60 PHE C C 60 172.955 172.224 0.731 1
1 633 . 13 1 1 A 60 60 PHE CA C 60 54.353 55.604 -1.251 1
1 634 . 13 1 1 A 60 60 PHE CB C 60 42.246 41.758 0.488 1
1 637 . 13 1 1 A 60 60 PHE N N 60 121.410 115.447 5.963 1
1 638 . 13 1 1 A 61 61 CYS H H 61 8.772 8.984 -0.212 1
1 639 . 13 1 1 A 61 61 CYS HA H 61 4.754 4.921 -0.167 1
1 642 . 13 1 1 A 61 61 CYS C C 61 177.353 175.995 1.358 1
1 643 . 13 1 1 A 61 61 CYS CA C 61 58.032 57.162 0.870 1
1 644 . 13 1 1 A 61 61 CYS CB C 61 32.242 30.614 1.628 1
1 645 . 13 1 1 A 61 61 CYS N N 61 120.610 120.321 0.289 1
1 646 . 13 1 1 A 62 62 ARG H H 62 9.535 8.789 0.746 1
1 647 . 13 1 1 A 62 62 ARG HA H 62 4.027 4.103 -0.076 1
1 654 . 13 1 1 A 62 62 ARG C C 62 175.657 178.053 -2.396 1
1 655 . 13 1 1 A 62 62 ARG CA C 62 59.330 59.510 -0.180 1
1 656 . 13 1 1 A 62 62 ARG CB C 62 31.196 29.909 1.287 1
1 659 . 13 1 1 A 62 62 ARG N N 62 130.041 128.313 1.728 1
1 660 . 13 1 1 A 63 63 GLU H H 63 8.721 8.153 0.568 1
1 661 . 13 1 1 A 63 63 GLU HA H 63 4.394 4.117 0.277 1
1 666 . 13 1 1 A 63 63 GLU C C 63 177.341 177.937 -0.596 1
1 667 . 13 1 1 A 63 63 GLU CA C 63 58.404 59.181 -0.777 1
1 668 . 13 1 1 A 63 63 GLU CB C 63 30.501 29.639 0.862 1
1 670 . 13 1 1 A 63 63 GLU N N 63 118.534 119.005 -0.471 1
1 671 . 13 1 1 A 64 64 CYS H H 64 8.050 7.863 0.187 1
1 672 . 13 1 1 A 64 64 CYS HA H 64 4.962 4.604 0.358 1
1 675 . 13 1 1 A 64 64 CYS C C 64 176.019 175.310 0.709 1
1 676 . 13 1 1 A 64 64 CYS CA C 64 58.858 58.195 0.663 1
1 677 . 13 1 1 A 64 64 CYS CB C 64 32.103 28.188 3.915 1
1 678 . 13 1 1 A 64 64 CYS N N 64 116.495 114.857 1.638 1
1 679 . 13 1 1 A 65 65 LYS H H 65 8.489 8.075 0.414 1
1 680 . 13 1 1 A 65 65 LYS HA H 65 4.191 4.582 -0.391 1
1 687 . 13 1 1 A 65 65 LYS C C 65 174.742 175.648 -0.906 1
1 688 . 13 1 1 A 65 65 LYS CA C 65 58.883 57.277 1.606 1
1 689 . 13 1 1 A 65 65 LYS CB C 65 28.865 30.172 -1.307 1
1 693 . 13 1 1 A 65 65 LYS N N 65 117.320 120.466 -3.146 1
1 694 . 13 1 1 A 66 66 GLU H H 66 8.272 7.461 0.811 1
1 695 . 13 1 1 A 66 66 GLU HA H 66 4.721 4.870 -0.149 1
1 700 . 13 1 1 A 66 66 GLU C C 66 175.422 175.772 -0.350 1
1 701 . 13 1 1 A 66 66 GLU CA C 66 55.285 54.502 0.783 1
1 702 . 13 1 1 A 66 66 GLU CB C 66 31.666 33.160 -1.494 1
1 704 . 13 1 1 A 66 66 GLU N N 66 117.719 119.653 -1.934 1
1 705 . 13 1 1 A 67 67 ALA H H 67 8.766 8.478 0.288 1
1 706 . 13 1 1 A 67 67 ALA HA H 67 4.177 4.516 -0.339 1
1 710 . 13 1 1 A 67 67 ALA C C 67 177.459 177.018 0.441 1
1 711 . 13 1 1 A 67 67 ALA CA C 67 53.019 53.148 -0.129 1
1 712 . 13 1 1 A 67 67 ALA CB C 67 18.548 19.001 -0.453 1
1 713 . 13 1 1 A 67 67 ALA N N 67 120.597 124.184 -3.587 1
1 714 . 13 1 1 A 68 68 TYR H H 68 8.061 8.916 -0.855 1
1 715 . 13 1 1 A 68 68 TYR HA H 68 4.531 4.487 0.044 1
1 722 . 13 1 1 A 68 68 TYR CA C 68 58.242 58.800 -0.558 1
1 723 . 13 1 1 A 68 68 TYR CB C 68 38.531 38.749 -0.218 1
1 728 . 13 1 1 A 68 68 TYR N N 68 120.592 123.920 -3.328 1
1 729 . 13 1 1 A 69 69 HIS HA H 69 4.643 5.216 -0.573 1
1 734 . 13 1 1 A 69 69 HIS C C 69 173.158 175.179 -2.021 1
1 735 . 13 1 1 A 69 69 HIS CA C 69 51.310 54.243 -2.933 1
1 736 . 13 1 1 A 69 69 HIS CB C 69 32.038 31.571 0.467 1
1 739 . 13 1 1 A 70 70 GLU H H 70 8.796 8.872 -0.076 1
1 740 . 13 1 1 A 70 70 GLU HA H 70 4.238 4.353 -0.115 1
1 745 . 13 1 1 A 70 70 GLU C C 70 178.838 176.964 1.874 1
1 746 . 13 1 1 A 70 70 GLU CA C 70 55.450 57.842 -2.392 1
1 747 . 13 1 1 A 70 70 GLU CB C 70 30.527 28.959 1.568 1
1 749 . 13 1 1 A 70 70 GLU N N 70 120.194 121.368 -1.174 1
1 750 . 13 1 1 A 71 71 GLY H H 71 8.876 8.274 0.602 1
1 751 . 13 1 1 A 71 71 GLY HA2 H 71 4.082 4.130 -0.048 1
1 752 . 13 1 1 A 71 71 GLY HA3 H 71 3.910 4.135 -0.225 1
1 753 . 13 1 1 A 71 71 GLY C C 71 173.634 171.508 2.126 1
1 754 . 13 1 1 A 71 71 GLY CA C 71 45.615 45.468 0.147 1
1 755 . 13 1 1 A 71 71 GLY N N 71 111.118 111.826 -0.708 1
1 756 . 13 1 1 A 72 72 GLU H H 72 8.391 7.765 0.626 1
1 757 . 13 1 1 A 72 72 GLU HA H 72 4.360 4.652 -0.292 1
1 762 . 13 1 1 A 72 72 GLU C C 72 177.319 175.384 1.935 1
1 763 . 13 1 1 A 72 72 GLU CA C 72 56.571 55.218 1.353 1
1 764 . 13 1 1 A 72 72 GLU CB C 72 30.411 33.357 -2.946 1
1 766 . 13 1 1 A 72 72 GLU N N 72 118.939 122.401 -3.462 1
1 767 . 13 1 1 A 73 73 CYS H H 73 8.574 8.900 -0.326 1
1 768 . 13 1 1 A 73 73 CYS HA H 73 3.770 4.301 -0.531 1
1 771 . 13 1 1 A 73 73 CYS C C 73 176.052 176.653 -0.601 1
1 772 . 13 1 1 A 73 73 CYS CA C 73 60.416 62.523 -2.107 1
1 773 . 13 1 1 A 73 73 CYS CB C 73 30.793 26.565 4.228 1
1 774 . 13 1 1 A 73 73 CYS N N 73 123.479 122.121 1.358 1
1 775 . 13 1 1 A 74 74 SER H H 74 8.541 7.863 0.678 1
1 776 . 13 1 1 A 74 74 SER HA H 74 4.288 4.515 -0.227 1
1 779 . 13 1 1 A 74 74 SER C C 74 174.140 173.067 1.073 1
1 780 . 13 1 1 A 74 74 SER CA C 74 58.591 58.611 -0.020 1
1 781 . 13 1 1 A 74 74 SER CB C 74 63.626 63.315 0.311 1
1 782 . 13 1 1 A 74 74 SER N N 74 117.297 114.232 3.065 1
1 783 . 13 1 1 A 75 75 ALA H H 75 8.092 7.689 0.403 1
1 784 . 13 1 1 A 75 75 ALA HA H 75 4.312 4.611 -0.299 1
1 788 . 13 1 1 A 75 75 ALA C C 75 177.173 177.202 -0.029 1
1 789 . 13 1 1 A 75 75 ALA CA C 75 52.403 50.625 1.778 1
1 790 . 13 1 1 A 75 75 ALA CB C 75 19.546 20.062 -0.516 1
1 791 . 13 1 1 A 75 75 ALA N N 75 125.952 124.604 1.348 1
1 792 . 13 1 1 A 76 76 VAL H H 76 7.934 8.603 -0.669 1
1 793 . 13 1 1 A 76 76 VAL HA H 76 4.028 4.041 -0.013 1
1 801 . 13 1 1 A 76 76 VAL C C 76 175.784 176.706 -0.922 1
1 802 . 13 1 1 A 76 76 VAL CA C 76 62.265 64.089 -1.824 1
1 803 . 13 1 1 A 76 76 VAL CB C 76 32.893 31.590 1.303 1
1 806 . 13 1 1 A 76 76 VAL N N 76 118.959 123.480 -4.521 1
1 807 . 13 1 1 A 77 77 PHE H H 77 8.283 7.814 0.469 1
1 808 . 13 1 1 A 77 77 PHE HA H 77 4.670 4.359 0.311 1
1 813 . 13 1 1 A 77 77 PHE C C 77 175.335 175.537 -0.202 1
1 814 . 13 1 1 A 77 77 PHE CA C 77 57.588 59.418 -1.830 1
1 815 . 13 1 1 A 77 77 PHE CB C 77 39.899 39.440 0.459 1
1 818 . 13 1 1 A 77 77 PHE N N 77 124.298 121.938 2.360 1
1 819 . 13 1 1 A 78 78 GLU H H 78 8.262 8.976 -0.714 1
1 820 . 13 1 1 A 78 78 GLU HA H 78 4.251 4.597 -0.346 1
1 825 . 13 1 1 A 78 78 GLU C C 78 175.451 176.370 -0.919 1
1 826 . 13 1 1 A 78 78 GLU CA C 78 56.179 57.312 -1.133 1
1 827 . 13 1 1 A 78 78 GLU CB C 78 30.676 31.765 -1.089 1
1 829 . 13 1 1 A 78 78 GLU N N 78 123.482 124.693 -1.211 1
1 830 . 13 1 1 A 79 79 ALA H H 79 8.279 7.904 0.375 1
1 831 . 13 1 1 A 79 79 ALA HA H 79 4.341 4.734 -0.393 1
1 835 . 13 1 1 A 79 79 ALA C C 79 176.767 177.790 -1.023 1
1 836 . 13 1 1 A 79 79 ALA CA C 79 52.512 50.270 2.242 1
1 837 . 13 1 1 A 79 79 ALA CB C 79 19.493 21.801 -2.308 1
1 838 . 13 1 1 A 79 79 ALA N N 79 126.363 121.360 5.003 1
1 6 . 14 1 1 A 2 2 HIS H H 2 7.929 8.747 -0.818 1
1 9 . 14 1 1 A 2 2 HIS CB C 2 31.017 31.512 -0.495 1
1 12 . 14 1 1 A 2 2 HIS N N 2 118.946 114.429 4.517 1
1 13 . 14 1 1 A 3 3 MET HA H 3 4.537 4.890 -0.353 1
1 16 . 14 1 1 A 3 3 MET C C 3 176.240 176.811 -0.571 1
1 17 . 14 1 1 A 3 3 MET CA C 3 55.681 54.261 1.420 1
1 18 . 14 1 1 A 3 3 MET CB C 3 33.063 36.870 -3.807 1
1 20 . 14 1 1 A 4 4 GLY H H 4 8.155 8.729 -0.574 1
1 21 . 14 1 1 A 4 4 GLY HA2 H 4 4.031 3.794 0.237 1
1 22 . 14 1 1 A 4 4 GLY HA3 H 4 4.031 3.819 0.212 1
1 23 . 14 1 1 A 4 4 GLY C C 4 174.348 175.242 -0.894 1
1 24 . 14 1 1 A 4 4 GLY CA C 4 45.418 46.819 -1.401 1
1 25 . 14 1 1 A 4 4 GLY N N 4 108.673 108.715 -0.042 1
1 26 . 14 1 1 A 5 5 GLU H H 5 8.351 8.383 -0.032 1
1 27 . 14 1 1 A 5 5 GLU HA H 5 4.275 4.074 0.201 1
1 32 . 14 1 1 A 5 5 GLU C C 5 177.037 175.338 1.699 1
1 33 . 14 1 1 A 5 5 GLU CA C 5 57.098 57.332 -0.234 1
1 34 . 14 1 1 A 5 5 GLU CB C 5 30.282 27.450 2.832 1
1 36 . 14 1 1 A 5 5 GLU N N 5 120.605 121.641 -1.036 1
1 37 . 14 1 1 A 6 6 GLU H H 6 8.641 7.911 0.730 1
1 38 . 14 1 1 A 6 6 GLU HA H 6 4.248 4.676 -0.428 1
1 43 . 14 1 1 A 6 6 GLU C C 6 176.799 174.775 2.024 1
1 44 . 14 1 1 A 6 6 GLU CA C 6 57.344 54.901 2.443 1
1 45 . 14 1 1 A 6 6 GLU CB C 6 29.842 33.289 -3.447 1
1 47 . 14 1 1 A 6 6 GLU N N 6 121.425 119.962 1.463 1
1 48 . 14 1 1 A 7 7 GLN H H 7 8.304 8.370 -0.066 1
1 53 . 14 1 1 A 7 7 GLN C C 7 175.537 175.327 0.210 1
1 54 . 14 1 1 A 7 7 GLN CA C 7 56.292 55.937 0.355 1
1 55 . 14 1 1 A 7 7 GLN CB C 7 29.164 28.689 0.475 1
1 57 . 14 1 1 A 7 7 GLN N N 7 120.185 120.721 -0.536 1
1 59 . 14 1 1 A 8 8 TYR H H 8 8.221 8.473 -0.252 1
1 60 . 14 1 1 A 8 8 TYR HA H 8 4.606 5.199 -0.593 1
1 67 . 14 1 1 A 8 8 TYR C C 8 175.728 174.056 1.672 1
1 68 . 14 1 1 A 8 8 TYR CA C 8 58.138 55.870 2.268 1
1 69 . 14 1 1 A 8 8 TYR CB C 8 38.766 41.184 -2.418 1
1 70 . 14 1 1 A 8 8 TYR N N 8 120.918 119.151 1.767 1
1 71 . 14 1 1 A 9 9 ASN H H 9 8.288 8.770 -0.482 1
1 72 . 14 1 1 A 9 9 ASN HA H 9 4.654 4.808 -0.154 1
1 77 . 14 1 1 A 9 9 ASN C C 9 175.439 175.013 0.426 1
1 78 . 14 1 1 A 9 9 ASN CA C 9 53.435 53.836 -0.401 1
1 79 . 14 1 1 A 9 9 ASN CB C 9 38.790 38.738 0.052 1
1 80 . 14 1 1 A 9 9 ASN N N 9 120.180 119.239 0.941 1
1 82 . 14 1 1 A 10 10 ARG H H 10 8.128 8.255 -0.127 1
1 83 . 14 1 1 A 10 10 ARG HA H 10 4.171 4.861 -0.690 1
1 90 . 14 1 1 A 10 10 ARG C C 10 176.244 174.347 1.897 1
1 91 . 14 1 1 A 10 10 ARG CA C 10 57.023 55.221 1.802 1
1 92 . 14 1 1 A 10 10 ARG CB C 10 30.535 33.226 -2.691 1
1 95 . 14 1 1 A 10 10 ARG N N 10 121.014 122.576 -1.562 1
1 96 . 14 1 1 A 11 11 TYR H H 11 8.108 8.870 -0.762 1
1 97 . 14 1 1 A 11 11 TYR HA H 11 4.543 4.852 -0.309 1
1 104 . 14 1 1 A 11 11 TYR C C 11 175.929 175.770 0.159 1
1 105 . 14 1 1 A 11 11 TYR CA C 11 58.219 56.594 1.625 1
1 106 . 14 1 1 A 11 11 TYR CB C 11 38.365 42.226 -3.861 1
1 107 . 14 1 1 A 11 11 TYR N N 11 119.776 124.531 -4.755 1
1 108 . 14 1 1 A 12 12 GLN H H 12 8.050 9.000 -0.950 1
1 109 . 14 1 1 A 12 12 GLN HA H 12 4.269 4.206 0.063 1
1 116 . 14 1 1 A 12 12 GLN C C 12 175.917 175.193 0.724 1
1 117 . 14 1 1 A 12 12 GLN CA C 12 56.240 58.340 -2.100 1
1 118 . 14 1 1 A 12 12 GLN CB C 12 29.463 28.172 1.291 1
1 120 . 14 1 1 A 12 12 GLN N N 12 120.992 120.870 0.122 1
1 122 . 14 1 1 A 13 13 GLN H H 13 8.065 7.774 0.291 1
1 123 . 14 1 1 A 13 13 GLN HA H 13 4.202 4.819 -0.617 1
1 130 . 14 1 1 A 13 13 GLN C C 13 175.644 175.069 0.575 1
1 131 . 14 1 1 A 13 13 GLN CA C 13 56.242 54.136 2.106 1
1 132 . 14 1 1 A 13 13 GLN CB C 13 29.394 34.011 -4.617 1
1 134 . 14 1 1 A 13 13 GLN N N 13 120.539 116.940 3.599 1
1 136 . 14 1 1 A 14 14 TYR H H 14 8.212 8.688 -0.476 1
1 137 . 14 1 1 A 14 14 TYR HA H 14 4.572 4.153 0.419 1
1 144 . 14 1 1 A 14 14 TYR C C 14 176.382 176.608 -0.226 1
1 145 . 14 1 1 A 14 14 TYR CA C 14 57.958 59.263 -1.305 1
1 146 . 14 1 1 A 14 14 TYR CB C 14 38.983 38.136 0.847 1
1 151 . 14 1 1 A 14 14 TYR N N 14 120.582 120.353 0.229 1
1 152 . 14 1 1 A 15 15 GLY H H 15 8.405 8.911 -0.506 1
1 153 . 14 1 1 A 15 15 GLY HA2 H 15 3.933 3.760 0.173 1
1 154 . 14 1 1 A 15 15 GLY HA3 H 15 3.933 3.838 0.095 1
1 155 . 14 1 1 A 15 15 GLY C C 15 173.776 173.169 0.607 1
1 156 . 14 1 1 A 15 15 GLY CA C 15 45.407 46.965 -1.558 1
1 157 . 14 1 1 A 15 15 GLY N N 15 110.724 115.020 -4.296 1
1 158 . 14 1 1 A 16 16 ALA H H 16 8.160 8.169 -0.009 1
1 159 . 14 1 1 A 16 16 ALA HA H 16 4.302 4.757 -0.455 1
1 163 . 14 1 1 A 16 16 ALA C C 16 178.147 176.986 1.161 1
1 164 . 14 1 1 A 16 16 ALA CA C 16 53.034 51.577 1.457 1
1 165 . 14 1 1 A 16 16 ALA CB C 16 19.392 20.345 -0.953 1
1 166 . 14 1 1 A 16 16 ALA N N 16 123.489 123.956 -0.467 1
1 167 . 14 1 1 A 17 17 GLU H H 17 8.612 8.769 -0.157 1
1 168 . 14 1 1 A 17 17 GLU HA H 17 4.169 4.492 -0.323 1
1 173 . 14 1 1 A 17 17 GLU C C 17 177.000 176.640 0.360 1
1 174 . 14 1 1 A 17 17 GLU CA C 17 57.837 56.590 1.247 1
1 175 . 14 1 1 A 17 17 GLU CB C 17 29.881 31.514 -1.633 1
1 177 . 14 1 1 A 17 17 GLU N N 17 119.373 121.159 -1.786 1
1 178 . 14 1 1 A 18 18 GLU H H 18 8.413 7.743 0.670 1
1 179 . 14 1 1 A 18 18 GLU HA H 18 4.210 4.154 0.056 1
1 184 . 14 1 1 A 18 18 GLU C C 18 177.015 175.990 1.025 1
1 185 . 14 1 1 A 18 18 GLU CA C 18 57.641 57.486 0.155 1
1 186 . 14 1 1 A 18 18 GLU CB C 18 29.980 30.311 -0.331 1
1 188 . 14 1 1 A 18 18 GLU N N 18 120.184 120.903 -0.719 1
1 189 . 14 1 1 A 19 19 CYS H H 19 8.253 8.486 -0.233 1
1 190 . 14 1 1 A 19 19 CYS HA H 19 4.381 4.795 -0.414 1
1 193 . 14 1 1 A 19 19 CYS C C 19 175.552 174.993 0.559 1
1 194 . 14 1 1 A 19 19 CYS CA C 19 59.819 58.428 1.391 1
1 195 . 14 1 1 A 19 19 CYS CB C 19 27.554 30.107 -2.553 1
1 196 . 14 1 1 A 19 19 CYS N N 19 119.775 125.513 -5.738 1
1 197 . 14 1 1 A 20 20 VAL H H 20 8.051 8.483 -0.432 1
1 198 . 14 1 1 A 20 20 VAL HA H 20 3.939 3.795 0.144 1
1 206 . 14 1 1 A 20 20 VAL C C 20 173.904 175.423 -1.519 1
1 207 . 14 1 1 A 20 20 VAL CA C 20 64.113 63.188 0.925 1
1 208 . 14 1 1 A 20 20 VAL CB C 20 32.316 29.681 2.635 1
1 211 . 14 1 1 A 20 20 VAL N N 20 121.008 124.023 -3.015 1
1 212 . 14 1 1 A 21 21 LEU H H 21 8.190 7.753 0.437 1
1 213 . 14 1 1 A 21 21 LEU HA H 21 4.648 4.497 0.151 1
1 222 . 14 1 1 A 21 21 LEU CA C 21 54.565 53.594 0.971 1
1 223 . 14 1 1 A 21 21 LEU CB C 21 41.542 43.386 -1.844 1
1 225 . 14 1 1 A 21 21 LEU N N 21 123.470 120.168 3.302 1
1 226 . 14 1 1 A 22 22 GLN H H 22 8.322 8.521 -0.199 1
1 227 . 14 1 1 A 22 22 GLN HA H 22 4.046 4.409 -0.363 1
1 230 . 14 1 1 A 22 22 GLN C C 22 176.428 175.770 0.658 1
1 231 . 14 1 1 A 22 22 GLN CA C 22 56.800 56.008 0.792 1
1 232 . 14 1 1 A 22 22 GLN CB C 22 29.116 28.673 0.443 1
1 234 . 14 1 1 A 22 22 GLN N N 22 120.999 119.305 1.694 1
1 236 . 14 1 1 A 23 23 MET H H 23 7.958 8.705 -0.747 1
1 237 . 14 1 1 A 23 23 MET HA H 23 4.487 4.685 -0.198 1
1 245 . 14 1 1 A 23 23 MET C C 23 176.558 176.836 -0.278 1
1 246 . 14 1 1 A 23 23 MET CA C 23 55.842 56.037 -0.195 1
1 247 . 14 1 1 A 23 23 MET CB C 23 32.712 32.994 -0.282 1
1 250 . 14 1 1 A 23 23 MET N N 23 118.950 121.168 -2.218 1
1 251 . 14 1 1 A 24 24 GLY H H 24 8.549 7.763 0.786 1
1 252 . 14 1 1 A 24 24 GLY HA2 H 24 4.163 3.621 0.542 1
1 253 . 14 1 1 A 24 24 GLY HA3 H 24 3.919 3.626 0.293 1
1 254 . 14 1 1 A 24 24 GLY C C 24 174.799 175.939 -1.140 1
1 255 . 14 1 1 A 24 24 GLY CA C 24 45.547 46.795 -1.248 1
1 256 . 14 1 1 A 24 24 GLY N N 24 110.724 106.569 4.155 1
1 257 . 14 1 1 A 25 25 GLY H H 25 8.216 8.783 -0.567 1
1 258 . 14 1 1 A 25 25 GLY HA2 H 25 4.455 4.045 0.410 1
1 259 . 14 1 1 A 25 25 GLY HA3 H 25 3.921 4.052 -0.131 1
1 260 . 14 1 1 A 25 25 GLY C C 25 172.658 173.921 -1.263 1
1 261 . 14 1 1 A 25 25 GLY CA C 25 45.087 46.687 -1.600 1
1 262 . 14 1 1 A 25 25 GLY N N 25 107.443 114.824 -7.381 1
1 263 . 14 1 1 A 26 26 VAL H H 26 8.726 7.749 0.977 1
1 264 . 14 1 1 A 26 26 VAL HA H 26 4.533 5.044 -0.511 1
1 272 . 14 1 1 A 26 26 VAL C C 26 172.923 174.397 -1.474 1
1 273 . 14 1 1 A 26 26 VAL CA C 26 59.864 59.248 0.616 1
1 274 . 14 1 1 A 26 26 VAL CB C 26 35.551 35.850 -0.299 1
1 277 . 14 1 1 A 26 26 VAL N N 26 116.467 119.887 -3.420 1
1 278 . 14 1 1 A 27 27 LEU H H 27 8.201 8.829 -0.628 1
1 279 . 14 1 1 A 27 27 LEU HA H 27 5.057 4.993 0.064 1
1 289 . 14 1 1 A 27 27 LEU C C 27 176.746 175.489 1.257 1
1 290 . 14 1 1 A 27 27 LEU CA C 27 53.134 52.870 0.264 1
1 291 . 14 1 1 A 27 27 LEU CB C 27 42.926 45.620 -2.694 1
1 294 . 14 1 1 A 27 27 LEU N N 27 124.428 123.725 0.703 1
1 295 . 14 1 1 A 28 28 CYS H H 28 8.902 8.511 0.391 1
1 296 . 14 1 1 A 28 28 CYS HA H 28 4.158 4.325 -0.167 1
1 299 . 14 1 1 A 28 28 CYS CA C 28 57.728 57.837 -0.109 1
1 300 . 14 1 1 A 28 28 CYS CB C 28 32.175 28.647 3.528 1
1 301 . 14 1 1 A 28 28 CYS N N 28 127.173 120.992 6.181 1
1 302 . 14 1 1 A 29 29 PRO HA H 29 4.410 4.516 -0.106 1
1 309 . 14 1 1 A 29 29 PRO C C 29 177.459 176.297 1.162 1
1 310 . 14 1 1 A 29 29 PRO CA C 29 62.872 63.945 -1.073 1
1 311 . 14 1 1 A 29 29 PRO CB C 29 32.813 31.718 1.095 1
1 314 . 14 1 1 A 30 30 ARG H H 30 9.132 7.653 1.479 1
1 315 . 14 1 1 A 30 30 ARG HA H 30 4.087 4.451 -0.364 1
1 322 . 14 1 1 A 30 30 ARG CA C 30 55.102 54.306 0.796 1
1 323 . 14 1 1 A 30 30 ARG CB C 30 29.469 29.822 -0.353 1
1 326 . 14 1 1 A 30 30 ARG N N 30 127.589 121.267 6.322 1
1 327 . 14 1 1 A 31 31 PRO HA H 31 4.242 4.319 -0.077 1
1 334 . 14 1 1 A 31 31 PRO C C 31 177.828 178.129 -0.301 1
1 335 . 14 1 1 A 31 31 PRO CA C 31 64.202 65.400 -1.198 1
1 336 . 14 1 1 A 31 31 PRO CB C 31 31.518 31.817 -0.299 1
1 339 . 14 1 1 A 32 32 GLY H H 32 8.773 8.479 0.294 1
1 340 . 14 1 1 A 32 32 GLY HA2 H 32 4.065 3.940 0.125 1
1 341 . 14 1 1 A 32 32 GLY HA3 H 32 3.706 3.941 -0.235 1
1 342 . 14 1 1 A 32 32 GLY C C 32 173.340 173.615 -0.275 1
1 343 . 14 1 1 A 32 32 GLY CA C 32 45.272 45.213 0.059 1
1 344 . 14 1 1 A 32 32 GLY N N 32 111.942 106.152 5.790 1
1 345 . 14 1 1 A 33 33 CYS H H 33 7.749 7.793 -0.044 1
1 346 . 14 1 1 A 33 33 CYS HA H 33 4.528 4.762 -0.234 1
1 349 . 14 1 1 A 33 33 CYS CA C 33 60.515 58.470 2.045 1
1 350 . 14 1 1 A 33 33 CYS CB C 33 29.641 29.382 0.259 1
1 351 . 14 1 1 A 33 33 CYS N N 33 123.343 118.613 4.730 1
1 352 . 14 1 1 A 34 34 GLY H H 34 8.351 9.006 -0.655 1
1 353 . 14 1 1 A 34 34 GLY HA2 H 34 4.120 4.020 0.100 1
1 354 . 14 1 1 A 34 34 GLY HA3 H 34 3.911 4.025 -0.114 1
1 355 . 14 1 1 A 34 34 GLY C C 34 173.849 175.265 -1.416 1
1 356 . 14 1 1 A 34 34 GLY CA C 34 46.225 46.730 -0.505 1
1 357 . 14 1 1 A 34 34 GLY N N 34 106.570 115.723 -9.153 1
1 358 . 14 1 1 A 35 35 ALA H H 35 8.591 7.952 0.639 1
1 359 . 14 1 1 A 35 35 ALA HA H 35 4.091 3.971 0.120 1
1 363 . 14 1 1 A 35 35 ALA C C 35 176.818 178.201 -1.383 1
1 364 . 14 1 1 A 35 35 ALA CA C 35 53.757 55.253 -1.496 1
1 365 . 14 1 1 A 35 35 ALA CB C 35 20.271 18.512 1.759 1
1 366 . 14 1 1 A 35 35 ALA N N 35 125.109 124.875 0.234 1
1 367 . 14 1 1 A 36 36 GLY H H 36 8.348 8.237 0.111 1
1 368 . 14 1 1 A 36 36 GLY HA2 H 36 4.412 3.906 0.506 1
1 369 . 14 1 1 A 36 36 GLY HA3 H 36 3.479 3.913 -0.434 1
1 370 . 14 1 1 A 36 36 GLY C C 36 177.324 173.852 3.472 1
1 371 . 14 1 1 A 36 36 GLY CA C 36 45.847 47.075 -1.228 1
1 372 . 14 1 1 A 36 36 GLY N N 36 106.607 106.406 0.201 1
1 373 . 14 1 1 A 37 37 LEU H H 37 8.190 7.769 0.421 1
1 374 . 14 1 1 A 37 37 LEU HA H 37 4.753 5.042 -0.289 1
1 384 . 14 1 1 A 37 37 LEU C C 37 177.064 175.367 1.697 1
1 385 . 14 1 1 A 37 37 LEU CB C 37 44.730 45.268 -0.538 1
1 389 . 14 1 1 A 37 37 LEU N N 37 123.541 115.822 7.719 1
1 390 . 14 1 1 A 38 38 LEU H H 38 8.210 9.143 -0.933 1
1 391 . 14 1 1 A 38 38 LEU HA H 38 4.981 4.960 0.021 1
1 401 . 14 1 1 A 38 38 LEU CA C 38 51.755 51.272 0.483 1
1 402 . 14 1 1 A 38 38 LEU CB C 38 42.309 42.833 -0.524 1
1 405 . 14 1 1 A 38 38 LEU N N 38 124.280 123.000 1.280 1
1 406 . 14 1 1 A 39 39 PRO HA H 39 4.600 4.593 0.007 1
1 413 . 14 1 1 A 39 39 PRO C C 39 176.647 176.610 0.037 1
1 414 . 14 1 1 A 39 39 PRO CA C 39 62.130 62.154 -0.024 1
1 415 . 14 1 1 A 39 39 PRO CB C 39 32.686 32.980 -0.294 1
1 418 . 14 1 1 A 40 40 GLU H H 40 8.631 8.305 0.326 1
1 419 . 14 1 1 A 40 40 GLU HA H 40 4.485 4.540 -0.055 1
1 424 . 14 1 1 A 40 40 GLU CA C 40 55.067 55.264 -0.197 1
1 425 . 14 1 1 A 40 40 GLU CB C 40 29.310 29.759 -0.449 1
1 426 . 14 1 1 A 40 40 GLU N N 40 122.240 119.630 2.610 1
1 427 . 14 1 1 A 41 41 PRO HA H 41 3.869 4.386 -0.517 1
1 434 . 14 1 1 A 41 41 PRO C C 41 176.908 175.532 1.376 1
1 435 . 14 1 1 A 41 41 PRO CA C 41 64.772 63.785 0.987 1
1 436 . 14 1 1 A 41 41 PRO CB C 41 32.172 30.682 1.490 1
1 439 . 14 1 1 A 42 42 ASP H H 42 8.486 7.717 0.769 1
1 440 . 14 1 1 A 42 42 ASP HA H 42 4.456 4.783 -0.327 1
1 443 . 14 1 1 A 42 42 ASP C C 42 175.265 175.872 -0.607 1
1 444 . 14 1 1 A 42 42 ASP CA C 42 54.480 53.117 1.363 1
1 445 . 14 1 1 A 42 42 ASP CB C 42 40.139 42.679 -2.540 1
1 446 . 14 1 1 A 42 42 ASP N N 42 114.895 121.202 -6.307 1
1 447 . 14 1 1 A 43 43 GLN H H 43 7.280 8.832 -1.552 1
1 448 . 14 1 1 A 43 43 GLN HA H 43 4.420 3.965 0.455 1
1 455 . 14 1 1 A 43 43 GLN CA C 43 54.877 58.204 -3.327 1
1 456 . 14 1 1 A 43 43 GLN CB C 43 30.219 27.869 2.350 1
1 458 . 14 1 1 A 43 43 GLN N N 43 118.523 125.306 -6.783 1
1 460 . 14 1 1 A 44 44 ARG H H 44 8.207 7.816 0.391 1
1 461 . 14 1 1 A 44 44 ARG HA H 44 4.206 4.132 0.074 1
1 468 . 14 1 1 A 44 44 ARG C C 44 175.581 176.544 -0.963 1
1 469 . 14 1 1 A 44 44 ARG CA C 44 58.285 58.825 -0.540 1
1 470 . 14 1 1 A 44 44 ARG CB C 44 32.175 30.023 2.152 1
1 473 . 14 1 1 A 44 44 ARG N N 44 120.127 119.855 0.272 1
1 474 . 14 1 1 A 45 45 LYS H H 45 7.909 7.440 0.469 1
1 475 . 14 1 1 A 45 45 LYS HA H 45 3.985 4.739 -0.754 1
1 484 . 14 1 1 A 45 45 LYS C C 45 174.753 174.136 0.617 1
1 485 . 14 1 1 A 45 45 LYS CA C 45 56.378 55.526 0.852 1
1 486 . 14 1 1 A 45 45 LYS CB C 45 32.190 34.818 -2.628 1
1 490 . 14 1 1 A 45 45 LYS N N 45 118.935 118.986 -0.051 1
1 491 . 14 1 1 A 46 46 VAL H H 46 8.574 9.039 -0.465 1
1 492 . 14 1 1 A 46 46 VAL HA H 46 3.870 4.625 -0.755 1
1 500 . 14 1 1 A 46 46 VAL C C 46 173.589 174.769 -1.180 1
1 501 . 14 1 1 A 46 46 VAL CA C 46 60.777 60.989 -0.212 1
1 502 . 14 1 1 A 46 46 VAL CB C 46 32.263 33.290 -1.027 1
1 505 . 14 1 1 A 46 46 VAL N N 46 130.468 126.938 3.530 1
1 506 . 14 1 1 A 47 47 THR H H 47 8.098 8.778 -0.680 1
1 507 . 14 1 1 A 47 47 THR HA H 47 4.864 4.800 0.064 1
1 512 . 14 1 1 A 47 47 THR C C 47 173.666 175.252 -1.586 1
1 513 . 14 1 1 A 47 47 THR CA C 47 61.070 61.749 -0.679 1
1 514 . 14 1 1 A 47 47 THR CB C 47 69.693 70.032 -0.339 1
1 516 . 14 1 1 A 47 47 THR N N 47 120.392 122.725 -2.333 1
1 517 . 14 1 1 A 48 48 CYS H H 48 8.928 9.023 -0.095 1
1 518 . 14 1 1 A 48 48 CYS HA H 48 4.581 4.483 0.098 1
1 521 . 14 1 1 A 48 48 CYS C C 48 174.212 174.695 -0.483 1
1 522 . 14 1 1 A 48 48 CYS CA C 48 59.848 61.404 -1.556 1
1 523 . 14 1 1 A 48 48 CYS CB C 48 29.425 27.483 1.942 1
1 524 . 14 1 1 A 48 48 CYS N N 48 130.472 125.723 4.749 1
1 525 . 14 1 1 A 49 49 GLU H H 49 7.552 7.976 -0.424 1
1 526 . 14 1 1 A 49 49 GLU HA H 49 4.647 4.610 0.037 1
1 531 . 14 1 1 A 49 49 GLU C C 49 175.297 175.418 -0.121 1
1 532 . 14 1 1 A 49 49 GLU CA C 49 55.852 56.471 -0.619 1
1 533 . 14 1 1 A 49 49 GLU CB C 49 31.404 31.070 0.334 1
1 535 . 14 1 1 A 49 49 GLU N N 49 128.705 121.336 7.369 1
1 536 . 14 1 1 A 50 50 GLY H H 50 8.459 8.084 0.375 1
1 537 . 14 1 1 A 50 50 GLY HA2 H 50 4.128 4.189 -0.061 1
1 538 . 14 1 1 A 50 50 GLY HA3 H 50 3.916 4.193 -0.277 1
1 539 . 14 1 1 A 50 50 GLY C C 50 174.247 173.244 1.003 1
1 540 . 14 1 1 A 50 50 GLY CA C 50 45.243 45.660 -0.417 1
1 541 . 14 1 1 A 50 50 GLY N N 50 109.953 112.598 -2.645 1
1 542 . 14 1 1 A 51 51 GLY H H 51 8.548 8.351 0.197 1
1 543 . 14 1 1 A 51 51 GLY HA2 H 51 3.991 4.181 -0.190 1
1 544 . 14 1 1 A 51 51 GLY HA3 H 51 3.991 4.183 -0.192 1
1 545 . 14 1 1 A 51 51 GLY C C 51 174.381 174.237 0.144 1
1 546 . 14 1 1 A 51 51 GLY CA C 51 45.714 46.278 -0.564 1
1 547 . 14 1 1 A 51 51 GLY N N 51 109.074 110.917 -1.843 1
1 548 . 14 1 1 A 52 52 ASN H H 52 8.740 8.788 -0.048 1
1 549 . 14 1 1 A 52 52 ASN HA H 52 4.566 4.624 -0.058 1
1 554 . 14 1 1 A 52 52 ASN C C 52 175.686 176.499 -0.813 1
1 555 . 14 1 1 A 52 52 ASN CA C 52 53.618 55.619 -2.001 1
1 556 . 14 1 1 A 52 52 ASN CB C 52 38.009 39.535 -1.526 1
1 557 . 14 1 1 A 52 52 ASN N N 52 118.415 123.226 -4.811 1
1 559 . 14 1 1 A 53 53 GLY H H 53 8.367 7.537 0.830 1
1 560 . 14 1 1 A 53 53 GLY HA2 H 53 4.101 4.073 0.028 1
1 561 . 14 1 1 A 53 53 GLY HA3 H 53 3.808 4.074 -0.266 1
1 562 . 14 1 1 A 53 53 GLY C C 53 174.323 174.559 -0.236 1
1 563 . 14 1 1 A 53 53 GLY CA C 53 45.675 45.622 0.053 1
1 564 . 14 1 1 A 53 53 GLY N N 53 107.419 106.187 1.232 1
1 565 . 14 1 1 A 54 54 LEU H H 54 7.703 7.385 0.318 1
1 566 . 14 1 1 A 54 54 LEU HA H 54 4.405 4.143 0.262 1
1 576 . 14 1 1 A 54 54 LEU C C 54 177.359 177.253 0.106 1
1 577 . 14 1 1 A 54 54 LEU CA C 54 55.162 56.191 -1.029 1
1 578 . 14 1 1 A 54 54 LEU CB C 54 42.742 42.390 0.352 1
1 582 . 14 1 1 A 54 54 LEU N N 54 121.020 122.743 -1.723 1
1 583 . 14 1 1 A 55 55 GLY H H 55 8.265 8.547 -0.282 1
1 584 . 14 1 1 A 55 55 GLY HA2 H 55 4.112 4.216 -0.104 1
1 585 . 14 1 1 A 55 55 GLY HA3 H 55 4.112 4.225 -0.113 1
1 586 . 14 1 1 A 55 55 GLY C C 55 174.453 174.519 -0.066 1
1 587 . 14 1 1 A 55 55 GLY CA C 55 45.438 45.653 -0.215 1
1 588 . 14 1 1 A 55 55 GLY N N 55 109.910 109.502 0.408 1
1 589 . 14 1 1 A 56 56 CYS H H 56 10.071 8.226 1.845 1
1 590 . 14 1 1 A 56 56 CYS HA H 56 4.928 4.325 0.603 1
1 593 . 14 1 1 A 56 56 CYS C C 56 177.993 174.887 3.106 1
1 594 . 14 1 1 A 56 56 CYS CA C 56 59.541 60.720 -1.179 1
1 595 . 14 1 1 A 56 56 CYS CB C 56 32.099 27.966 4.133 1
1 596 . 14 1 1 A 56 56 CYS N N 56 124.504 122.443 2.061 1
1 597 . 14 1 1 A 57 57 GLY H H 57 9.174 8.079 1.095 1
1 598 . 14 1 1 A 57 57 GLY HA2 H 57 4.313 4.053 0.260 1
1 599 . 14 1 1 A 57 57 GLY HA3 H 57 3.668 4.068 -0.400 1
1 600 . 14 1 1 A 57 57 GLY C C 57 173.686 174.019 -0.333 1
1 601 . 14 1 1 A 57 57 GLY CA C 57 45.860 45.290 0.570 1
1 602 . 14 1 1 A 57 57 GLY N N 57 114.428 108.162 6.266 1
1 603 . 14 1 1 A 58 58 PHE H H 58 9.036 7.922 1.114 1
1 604 . 14 1 1 A 58 58 PHE HA H 58 4.623 4.824 -0.201 1
1 611 . 14 1 1 A 58 58 PHE C C 58 173.896 174.744 -0.848 1
1 612 . 14 1 1 A 58 58 PHE CA C 58 58.969 56.142 2.827 1
1 613 . 14 1 1 A 58 58 PHE CB C 58 41.132 40.842 0.290 1
1 614 . 14 1 1 A 58 58 PHE N N 58 125.130 121.639 3.491 1
1 615 . 14 1 1 A 59 59 ALA H H 59 7.570 8.321 -0.751 1
1 616 . 14 1 1 A 59 59 ALA HA H 59 5.486 4.975 0.511 1
1 620 . 14 1 1 A 59 59 ALA C C 59 176.469 177.945 -1.476 1
1 621 . 14 1 1 A 59 59 ALA CA C 59 49.817 52.481 -2.664 1
1 622 . 14 1 1 A 59 59 ALA CB C 59 19.826 19.293 0.533 1
1 623 . 14 1 1 A 59 59 ALA N N 59 128.638 129.729 -1.091 1
1 624 . 14 1 1 A 60 60 PHE H H 60 9.387 9.038 0.349 1
1 625 . 14 1 1 A 60 60 PHE HA H 60 5.204 5.670 -0.466 1
1 632 . 14 1 1 A 60 60 PHE C C 60 172.955 172.711 0.244 1
1 633 . 14 1 1 A 60 60 PHE CA C 60 54.353 55.161 -0.808 1
1 634 . 14 1 1 A 60 60 PHE CB C 60 42.246 41.877 0.369 1
1 637 . 14 1 1 A 60 60 PHE N N 60 121.410 116.872 4.538 1
1 638 . 14 1 1 A 61 61 CYS H H 61 8.772 8.633 0.139 1
1 639 . 14 1 1 A 61 61 CYS HA H 61 4.754 4.680 0.074 1
1 642 . 14 1 1 A 61 61 CYS C C 61 177.353 175.810 1.543 1
1 643 . 14 1 1 A 61 61 CYS CA C 61 58.032 57.193 0.839 1
1 644 . 14 1 1 A 61 61 CYS CB C 61 32.242 29.196 3.046 1
1 645 . 14 1 1 A 61 61 CYS N N 61 120.610 120.288 0.322 1
1 646 . 14 1 1 A 62 62 ARG H H 62 9.535 8.412 1.123 1
1 647 . 14 1 1 A 62 62 ARG HA H 62 4.027 4.122 -0.095 1
1 654 . 14 1 1 A 62 62 ARG C C 62 175.657 178.481 -2.824 1
1 655 . 14 1 1 A 62 62 ARG CA C 62 59.330 58.782 0.548 1
1 656 . 14 1 1 A 62 62 ARG CB C 62 31.196 29.662 1.534 1
1 659 . 14 1 1 A 62 62 ARG N N 62 130.041 126.906 3.135 1
1 660 . 14 1 1 A 63 63 GLU H H 63 8.721 8.125 0.596 1
1 661 . 14 1 1 A 63 63 GLU HA H 63 4.394 4.141 0.253 1
1 666 . 14 1 1 A 63 63 GLU C C 63 177.341 178.066 -0.725 1
1 667 . 14 1 1 A 63 63 GLU CA C 63 58.404 59.370 -0.966 1
1 668 . 14 1 1 A 63 63 GLU CB C 63 30.501 29.401 1.100 1
1 670 . 14 1 1 A 63 63 GLU N N 63 118.534 119.374 -0.840 1
1 671 . 14 1 1 A 64 64 CYS H H 64 8.050 7.447 0.603 1
1 672 . 14 1 1 A 64 64 CYS HA H 64 4.962 4.468 0.494 1
1 675 . 14 1 1 A 64 64 CYS C C 64 176.019 175.466 0.553 1
1 676 . 14 1 1 A 64 64 CYS CA C 64 58.858 58.381 0.477 1
1 677 . 14 1 1 A 64 64 CYS CB C 64 32.103 27.325 4.778 1
1 678 . 14 1 1 A 64 64 CYS N N 64 116.495 114.882 1.613 1
1 679 . 14 1 1 A 65 65 LYS H H 65 8.489 8.327 0.162 1
1 680 . 14 1 1 A 65 65 LYS HA H 65 4.191 4.306 -0.115 1
1 687 . 14 1 1 A 65 65 LYS C C 65 174.742 175.496 -0.754 1
1 688 . 14 1 1 A 65 65 LYS CA C 65 58.883 57.324 1.559 1
1 689 . 14 1 1 A 65 65 LYS CB C 65 28.865 30.194 -1.329 1
1 693 . 14 1 1 A 65 65 LYS N N 65 117.320 120.443 -3.123 1
1 694 . 14 1 1 A 66 66 GLU H H 66 8.272 7.340 0.932 1
1 695 . 14 1 1 A 66 66 GLU HA H 66 4.721 4.812 -0.091 1
1 700 . 14 1 1 A 66 66 GLU C C 66 175.422 175.312 0.110 1
1 701 . 14 1 1 A 66 66 GLU CA C 66 55.285 54.492 0.793 1
1 702 . 14 1 1 A 66 66 GLU CB C 66 31.666 32.053 -0.387 1
1 704 . 14 1 1 A 66 66 GLU N N 66 117.719 117.184 0.535 1
1 705 . 14 1 1 A 67 67 ALA H H 67 8.766 8.376 0.390 1
1 706 . 14 1 1 A 67 67 ALA HA H 67 4.177 4.495 -0.318 1
1 710 . 14 1 1 A 67 67 ALA C C 67 177.459 176.965 0.494 1
1 711 . 14 1 1 A 67 67 ALA CA C 67 53.019 53.101 -0.082 1
1 712 . 14 1 1 A 67 67 ALA CB C 67 18.548 19.052 -0.504 1
1 713 . 14 1 1 A 67 67 ALA N N 67 120.597 123.233 -2.636 1
1 714 . 14 1 1 A 68 68 TYR H H 68 8.061 9.094 -1.033 1
1 715 . 14 1 1 A 68 68 TYR HA H 68 4.531 4.325 0.206 1
1 722 . 14 1 1 A 68 68 TYR CA C 68 58.242 58.259 -0.017 1
1 723 . 14 1 1 A 68 68 TYR CB C 68 38.531 38.906 -0.375 1
1 728 . 14 1 1 A 68 68 TYR N N 68 120.592 123.894 -3.302 1
1 729 . 14 1 1 A 69 69 HIS HA H 69 4.643 4.190 0.453 1
1 734 . 14 1 1 A 69 69 HIS C C 69 173.158 175.447 -2.289 1
1 735 . 14 1 1 A 69 69 HIS CA C 69 51.310 57.308 -5.998 1
1 736 . 14 1 1 A 69 69 HIS CB C 69 32.038 30.562 1.476 1
1 739 . 14 1 1 A 70 70 GLU H H 70 8.796 8.033 0.763 1
1 740 . 14 1 1 A 70 70 GLU HA H 70 4.238 4.246 -0.008 1
1 745 . 14 1 1 A 70 70 GLU C C 70 178.838 176.181 2.657 1
1 746 . 14 1 1 A 70 70 GLU CA C 70 55.450 57.963 -2.513 1
1 747 . 14 1 1 A 70 70 GLU CB C 70 30.527 27.167 3.360 1
1 749 . 14 1 1 A 70 70 GLU N N 70 120.194 115.434 4.760 1
1 750 . 14 1 1 A 71 71 GLY H H 71 8.876 7.871 1.005 1
1 751 . 14 1 1 A 71 71 GLY HA2 H 71 4.082 4.148 -0.066 1
1 752 . 14 1 1 A 71 71 GLY HA3 H 71 3.910 4.191 -0.281 1
1 753 . 14 1 1 A 71 71 GLY C C 71 173.634 171.832 1.802 1
1 754 . 14 1 1 A 71 71 GLY CA C 71 45.615 46.234 -0.619 1
1 755 . 14 1 1 A 71 71 GLY N N 71 111.118 106.485 4.633 1
1 756 . 14 1 1 A 72 72 GLU H H 72 8.391 8.573 -0.182 1
1 757 . 14 1 1 A 72 72 GLU HA H 72 4.360 4.656 -0.296 1
1 762 . 14 1 1 A 72 72 GLU C C 72 177.319 175.922 1.397 1
1 763 . 14 1 1 A 72 72 GLU CA C 72 56.571 54.169 2.402 1
1 764 . 14 1 1 A 72 72 GLU CB C 72 30.411 33.081 -2.670 1
1 766 . 14 1 1 A 72 72 GLU N N 72 118.939 119.415 -0.476 1
1 767 . 14 1 1 A 73 73 CYS H H 73 8.574 8.901 -0.327 1
1 768 . 14 1 1 A 73 73 CYS HA H 73 3.770 4.121 -0.351 1
1 771 . 14 1 1 A 73 73 CYS C C 73 176.052 176.154 -0.102 1
1 772 . 14 1 1 A 73 73 CYS CA C 73 60.416 61.891 -1.475 1
1 773 . 14 1 1 A 73 73 CYS CB C 73 30.793 27.082 3.711 1
1 774 . 14 1 1 A 73 73 CYS N N 73 123.479 122.098 1.381 1
1 775 . 14 1 1 A 74 74 SER H H 74 8.541 7.926 0.615 1
1 776 . 14 1 1 A 74 74 SER HA H 74 4.288 4.428 -0.140 1
1 779 . 14 1 1 A 74 74 SER C C 74 174.140 174.317 -0.177 1
1 780 . 14 1 1 A 74 74 SER CA C 74 58.591 58.942 -0.351 1
1 781 . 14 1 1 A 74 74 SER CB C 74 63.626 62.881 0.745 1
1 782 . 14 1 1 A 74 74 SER N N 74 117.297 114.155 3.142 1
1 783 . 14 1 1 A 75 75 ALA H H 75 8.092 7.641 0.451 1
1 784 . 14 1 1 A 75 75 ALA HA H 75 4.312 4.433 -0.121 1
1 788 . 14 1 1 A 75 75 ALA C C 75 177.173 177.231 -0.058 1
1 789 . 14 1 1 A 75 75 ALA CA C 75 52.403 50.796 1.607 1
1 790 . 14 1 1 A 75 75 ALA CB C 75 19.546 20.140 -0.594 1
1 791 . 14 1 1 A 75 75 ALA N N 75 125.952 124.530 1.422 1
1 792 . 14 1 1 A 76 76 VAL H H 76 7.934 8.850 -0.916 1
1 793 . 14 1 1 A 76 76 VAL HA H 76 4.028 3.941 0.087 1
1 801 . 14 1 1 A 76 76 VAL C C 76 175.784 175.883 -0.099 1
1 802 . 14 1 1 A 76 76 VAL CA C 76 62.265 64.777 -2.512 1
1 803 . 14 1 1 A 76 76 VAL CB C 76 32.893 32.600 0.293 1
1 806 . 14 1 1 A 76 76 VAL N N 76 118.959 125.419 -6.460 1
1 807 . 14 1 1 A 77 77 PHE H H 77 8.283 8.110 0.173 1
1 808 . 14 1 1 A 77 77 PHE HA H 77 4.670 4.123 0.547 1
1 813 . 14 1 1 A 77 77 PHE C C 77 175.335 174.538 0.797 1
1 814 . 14 1 1 A 77 77 PHE CA C 77 57.588 58.842 -1.254 1
1 815 . 14 1 1 A 77 77 PHE CB C 77 39.899 37.627 2.272 1
1 818 . 14 1 1 A 77 77 PHE N N 77 124.298 121.898 2.400 1
1 819 . 14 1 1 A 78 78 GLU H H 78 8.262 7.747 0.515 1
1 820 . 14 1 1 A 78 78 GLU HA H 78 4.251 4.641 -0.390 1
1 825 . 14 1 1 A 78 78 GLU C C 78 175.451 174.484 0.967 1
1 826 . 14 1 1 A 78 78 GLU CA C 78 56.179 55.186 0.993 1
1 827 . 14 1 1 A 78 78 GLU CB C 78 30.676 33.361 -2.685 1
1 829 . 14 1 1 A 78 78 GLU N N 78 123.482 118.318 5.164 1
1 830 . 14 1 1 A 79 79 ALA H H 79 8.279 8.541 -0.262 1
1 831 . 14 1 1 A 79 79 ALA HA H 79 4.341 5.018 -0.677 1
1 835 . 14 1 1 A 79 79 ALA C C 79 176.767 175.407 1.360 1
1 836 . 14 1 1 A 79 79 ALA CA C 79 52.512 50.981 1.531 1
1 837 . 14 1 1 A 79 79 ALA CB C 79 19.493 21.192 -1.699 1
1 838 . 14 1 1 A 79 79 ALA N N 79 126.363 122.790 3.573 1
1 6 . 15 1 1 A 2 2 HIS H H 2 7.929 8.114 -0.185 1
1 9 . 15 1 1 A 2 2 HIS CB C 2 31.017 29.788 1.229 1
1 12 . 15 1 1 A 2 2 HIS N N 2 118.946 122.321 -3.375 1
1 13 . 15 1 1 A 3 3 MET HA H 3 4.537 4.867 -0.330 1
1 16 . 15 1 1 A 3 3 MET C C 3 176.240 175.626 0.614 1
1 17 . 15 1 1 A 3 3 MET CA C 3 55.681 54.265 1.416 1
1 18 . 15 1 1 A 3 3 MET CB C 3 33.063 33.235 -0.172 1
1 20 . 15 1 1 A 4 4 GLY H H 4 8.155 8.871 -0.716 1
1 21 . 15 1 1 A 4 4 GLY HA2 H 4 4.031 4.351 -0.320 1
1 22 . 15 1 1 A 4 4 GLY HA3 H 4 4.031 4.352 -0.321 1
1 23 . 15 1 1 A 4 4 GLY C C 4 174.348 171.863 2.485 1
1 24 . 15 1 1 A 4 4 GLY CA C 4 45.418 44.391 1.027 1
1 25 . 15 1 1 A 4 4 GLY N N 4 108.673 112.423 -3.750 1
1 26 . 15 1 1 A 5 5 GLU H H 5 8.351 8.650 -0.299 1
1 27 . 15 1 1 A 5 5 GLU HA H 5 4.275 4.749 -0.474 1
1 32 . 15 1 1 A 5 5 GLU C C 5 177.037 176.314 0.723 1
1 33 . 15 1 1 A 5 5 GLU CA C 5 57.098 55.616 1.482 1
1 34 . 15 1 1 A 5 5 GLU CB C 5 30.282 31.388 -1.106 1
1 36 . 15 1 1 A 5 5 GLU N N 5 120.605 121.366 -0.761 1
1 37 . 15 1 1 A 6 6 GLU H H 6 8.641 8.585 0.056 1
1 38 . 15 1 1 A 6 6 GLU HA H 6 4.248 4.417 -0.169 1
1 43 . 15 1 1 A 6 6 GLU C C 6 176.799 177.381 -0.582 1
1 44 . 15 1 1 A 6 6 GLU CA C 6 57.344 56.190 1.154 1
1 45 . 15 1 1 A 6 6 GLU CB C 6 29.842 30.610 -0.768 1
1 47 . 15 1 1 A 6 6 GLU N N 6 121.425 121.984 -0.559 1
1 48 . 15 1 1 A 7 7 GLN H H 7 8.304 8.457 -0.153 1
1 53 . 15 1 1 A 7 7 GLN C C 7 175.537 175.863 -0.326 1
1 54 . 15 1 1 A 7 7 GLN CA C 7 56.292 56.825 -0.533 1
1 55 . 15 1 1 A 7 7 GLN CB C 7 29.164 29.778 -0.614 1
1 57 . 15 1 1 A 7 7 GLN N N 7 120.185 121.022 -0.837 1
1 59 . 15 1 1 A 8 8 TYR H H 8 8.221 8.797 -0.576 1
1 60 . 15 1 1 A 8 8 TYR HA H 8 4.606 4.799 -0.193 1
1 67 . 15 1 1 A 8 8 TYR C C 8 175.728 176.006 -0.278 1
1 68 . 15 1 1 A 8 8 TYR CA C 8 58.138 58.356 -0.218 1
1 69 . 15 1 1 A 8 8 TYR CB C 8 38.766 38.595 0.171 1
1 70 . 15 1 1 A 8 8 TYR N N 8 120.918 124.307 -3.389 1
1 71 . 15 1 1 A 9 9 ASN H H 9 8.288 7.721 0.567 1
1 72 . 15 1 1 A 9 9 ASN HA H 9 4.654 4.882 -0.228 1
1 77 . 15 1 1 A 9 9 ASN C C 9 175.439 175.529 -0.090 1
1 78 . 15 1 1 A 9 9 ASN CA C 9 53.435 53.090 0.345 1
1 79 . 15 1 1 A 9 9 ASN CB C 9 38.790 39.586 -0.796 1
1 80 . 15 1 1 A 9 9 ASN N N 9 120.180 119.485 0.695 1
1 82 . 15 1 1 A 10 10 ARG H H 10 8.128 8.458 -0.330 1
1 83 . 15 1 1 A 10 10 ARG HA H 10 4.171 4.571 -0.400 1
1 90 . 15 1 1 A 10 10 ARG C C 10 176.244 175.555 0.689 1
1 91 . 15 1 1 A 10 10 ARG CA C 10 57.023 55.544 1.479 1
1 92 . 15 1 1 A 10 10 ARG CB C 10 30.535 30.965 -0.430 1
1 95 . 15 1 1 A 10 10 ARG N N 10 121.014 121.540 -0.526 1
1 96 . 15 1 1 A 11 11 TYR H H 11 8.108 8.994 -0.886 1
1 97 . 15 1 1 A 11 11 TYR HA H 11 4.543 4.972 -0.429 1
1 104 . 15 1 1 A 11 11 TYR C C 11 175.929 175.238 0.691 1
1 105 . 15 1 1 A 11 11 TYR CA C 11 58.219 57.052 1.167 1
1 106 . 15 1 1 A 11 11 TYR CB C 11 38.365 39.470 -1.105 1
1 107 . 15 1 1 A 11 11 TYR N N 11 119.776 124.946 -5.170 1
1 108 . 15 1 1 A 12 12 GLN H H 12 8.050 8.596 -0.546 1
1 109 . 15 1 1 A 12 12 GLN HA H 12 4.269 4.337 -0.068 1
1 116 . 15 1 1 A 12 12 GLN C C 12 175.917 176.658 -0.741 1
1 117 . 15 1 1 A 12 12 GLN CA C 12 56.240 58.100 -1.860 1
1 118 . 15 1 1 A 12 12 GLN CB C 12 29.463 29.537 -0.074 1
1 120 . 15 1 1 A 12 12 GLN N N 12 120.992 123.905 -2.913 1
1 122 . 15 1 1 A 13 13 GLN H H 13 8.065 7.871 0.194 1
1 123 . 15 1 1 A 13 13 GLN HA H 13 4.202 4.652 -0.450 1
1 130 . 15 1 1 A 13 13 GLN C C 13 175.644 174.861 0.783 1
1 131 . 15 1 1 A 13 13 GLN CA C 13 56.242 55.830 0.412 1
1 132 . 15 1 1 A 13 13 GLN CB C 13 29.394 30.372 -0.978 1
1 134 . 15 1 1 A 13 13 GLN N N 13 120.539 117.633 2.906 1
1 136 . 15 1 1 A 14 14 TYR H H 14 8.212 8.693 -0.481 1
1 137 . 15 1 1 A 14 14 TYR HA H 14 4.572 5.085 -0.513 1
1 144 . 15 1 1 A 14 14 TYR C C 14 176.382 175.839 0.543 1
1 145 . 15 1 1 A 14 14 TYR CA C 14 57.958 56.437 1.521 1
1 146 . 15 1 1 A 14 14 TYR CB C 14 38.983 41.923 -2.940 1
1 151 . 15 1 1 A 14 14 TYR N N 14 120.582 123.079 -2.497 1
1 152 . 15 1 1 A 15 15 GLY H H 15 8.405 7.768 0.637 1
1 153 . 15 1 1 A 15 15 GLY HA2 H 15 3.933 3.621 0.312 1
1 154 . 15 1 1 A 15 15 GLY HA3 H 15 3.933 3.813 0.120 1
1 155 . 15 1 1 A 15 15 GLY C C 15 173.776 173.250 0.526 1
1 156 . 15 1 1 A 15 15 GLY CA C 15 45.407 44.694 0.713 1
1 157 . 15 1 1 A 15 15 GLY N N 15 110.724 112.666 -1.942 1
1 158 . 15 1 1 A 16 16 ALA H H 16 8.160 7.835 0.325 1
1 159 . 15 1 1 A 16 16 ALA HA H 16 4.302 4.664 -0.362 1
1 163 . 15 1 1 A 16 16 ALA C C 16 178.147 177.361 0.786 1
1 164 . 15 1 1 A 16 16 ALA CA C 16 53.034 50.779 2.255 1
1 165 . 15 1 1 A 16 16 ALA CB C 16 19.392 20.226 -0.834 1
1 166 . 15 1 1 A 16 16 ALA N N 16 123.489 124.810 -1.321 1
1 167 . 15 1 1 A 17 17 GLU H H 17 8.612 8.815 -0.203 1
1 168 . 15 1 1 A 17 17 GLU HA H 17 4.169 4.414 -0.245 1
1 173 . 15 1 1 A 17 17 GLU C C 17 177.000 177.092 -0.092 1
1 174 . 15 1 1 A 17 17 GLU CA C 17 57.837 59.329 -1.492 1
1 175 . 15 1 1 A 17 17 GLU CB C 17 29.881 30.082 -0.201 1
1 177 . 15 1 1 A 17 17 GLU N N 17 119.373 124.128 -4.755 1
1 178 . 15 1 1 A 18 18 GLU H H 18 8.413 8.162 0.251 1
1 179 . 15 1 1 A 18 18 GLU HA H 18 4.210 4.489 -0.279 1
1 184 . 15 1 1 A 18 18 GLU C C 18 177.015 175.590 1.425 1
1 185 . 15 1 1 A 18 18 GLU CA C 18 57.641 56.157 1.484 1
1 186 . 15 1 1 A 18 18 GLU CB C 18 29.980 29.164 0.816 1
1 188 . 15 1 1 A 18 18 GLU N N 18 120.184 116.754 3.430 1
1 189 . 15 1 1 A 19 19 CYS H H 19 8.253 8.699 -0.446 1
1 190 . 15 1 1 A 19 19 CYS HA H 19 4.381 4.545 -0.164 1
1 193 . 15 1 1 A 19 19 CYS C C 19 175.552 176.191 -0.639 1
1 194 . 15 1 1 A 19 19 CYS CA C 19 59.819 58.731 1.088 1
1 195 . 15 1 1 A 19 19 CYS CB C 19 27.554 29.329 -1.775 1
1 196 . 15 1 1 A 19 19 CYS N N 19 119.775 125.337 -5.562 1
1 197 . 15 1 1 A 20 20 VAL H H 20 8.051 8.761 -0.710 1
1 198 . 15 1 1 A 20 20 VAL HA H 20 3.939 3.847 0.092 1
1 206 . 15 1 1 A 20 20 VAL C C 20 173.904 177.822 -3.918 1
1 207 . 15 1 1 A 20 20 VAL CA C 20 64.113 64.884 -0.771 1
1 208 . 15 1 1 A 20 20 VAL CB C 20 32.316 31.338 0.978 1
1 211 . 15 1 1 A 20 20 VAL N N 20 121.008 122.203 -1.195 1
1 212 . 15 1 1 A 21 21 LEU H H 21 8.190 7.886 0.304 1
1 213 . 15 1 1 A 21 21 LEU HA H 21 4.648 4.100 0.548 1
1 222 . 15 1 1 A 21 21 LEU CA C 21 54.565 57.639 -3.074 1
1 223 . 15 1 1 A 21 21 LEU CB C 21 41.542 41.620 -0.078 1
1 225 . 15 1 1 A 21 21 LEU N N 21 123.470 120.721 2.749 1
1 226 . 15 1 1 A 22 22 GLN H H 22 8.322 8.061 0.261 1
1 227 . 15 1 1 A 22 22 GLN HA H 22 4.046 3.973 0.073 1
1 230 . 15 1 1 A 22 22 GLN C C 22 176.428 178.192 -1.764 1
1 231 . 15 1 1 A 22 22 GLN CA C 22 56.800 59.358 -2.558 1
1 232 . 15 1 1 A 22 22 GLN CB C 22 29.116 28.352 0.764 1
1 234 . 15 1 1 A 22 22 GLN N N 22 120.999 118.212 2.787 1
1 236 . 15 1 1 A 23 23 MET H H 23 7.958 8.846 -0.888 1
1 237 . 15 1 1 A 23 23 MET HA H 23 4.487 4.391 0.096 1
1 245 . 15 1 1 A 23 23 MET C C 23 176.558 177.244 -0.686 1
1 246 . 15 1 1 A 23 23 MET CA C 23 55.842 58.231 -2.389 1
1 247 . 15 1 1 A 23 23 MET CB C 23 32.712 32.271 0.441 1
1 250 . 15 1 1 A 23 23 MET N N 23 118.950 117.769 1.181 1
1 251 . 15 1 1 A 24 24 GLY H H 24 8.549 8.267 0.282 1
1 252 . 15 1 1 A 24 24 GLY HA2 H 24 4.163 4.035 0.128 1
1 253 . 15 1 1 A 24 24 GLY HA3 H 24 3.919 4.039 -0.120 1
1 254 . 15 1 1 A 24 24 GLY C C 24 174.799 175.186 -0.387 1
1 255 . 15 1 1 A 24 24 GLY CA C 24 45.547 44.656 0.891 1
1 256 . 15 1 1 A 24 24 GLY N N 24 110.724 108.962 1.762 1
1 257 . 15 1 1 A 25 25 GLY H H 25 8.216 8.940 -0.724 1
1 258 . 15 1 1 A 25 25 GLY HA2 H 25 4.455 3.850 0.605 1
1 259 . 15 1 1 A 25 25 GLY HA3 H 25 3.921 3.856 0.065 1
1 260 . 15 1 1 A 25 25 GLY C C 25 172.658 174.183 -1.525 1
1 261 . 15 1 1 A 25 25 GLY CA C 25 45.087 47.181 -2.094 1
1 262 . 15 1 1 A 25 25 GLY N N 25 107.443 108.912 -1.469 1
1 263 . 15 1 1 A 26 26 VAL H H 26 8.726 7.829 0.897 1
1 264 . 15 1 1 A 26 26 VAL HA H 26 4.533 4.526 0.007 1
1 272 . 15 1 1 A 26 26 VAL C C 26 172.923 175.023 -2.100 1
1 273 . 15 1 1 A 26 26 VAL CA C 26 59.864 60.251 -0.387 1
1 274 . 15 1 1 A 26 26 VAL CB C 26 35.551 33.659 1.892 1
1 277 . 15 1 1 A 26 26 VAL N N 26 116.467 115.813 0.654 1
1 278 . 15 1 1 A 27 27 LEU H H 27 8.201 8.721 -0.520 1
1 279 . 15 1 1 A 27 27 LEU HA H 27 5.057 5.020 0.037 1
1 289 . 15 1 1 A 27 27 LEU C C 27 176.746 175.188 1.558 1
1 290 . 15 1 1 A 27 27 LEU CA C 27 53.134 53.667 -0.533 1
1 291 . 15 1 1 A 27 27 LEU CB C 27 42.926 45.672 -2.746 1
1 294 . 15 1 1 A 27 27 LEU N N 27 124.428 116.245 8.183 1
1 295 . 15 1 1 A 28 28 CYS H H 28 8.902 8.573 0.329 1
1 296 . 15 1 1 A 28 28 CYS HA H 28 4.158 4.342 -0.184 1
1 299 . 15 1 1 A 28 28 CYS CA C 28 57.728 57.750 -0.022 1
1 300 . 15 1 1 A 28 28 CYS CB C 28 32.175 27.828 4.347 1
1 301 . 15 1 1 A 28 28 CYS N N 28 127.173 120.442 6.731 1
1 302 . 15 1 1 A 29 29 PRO HA H 29 4.410 4.482 -0.072 1
1 309 . 15 1 1 A 29 29 PRO C C 29 177.459 176.322 1.137 1
1 310 . 15 1 1 A 29 29 PRO CA C 29 62.872 64.169 -1.297 1
1 311 . 15 1 1 A 29 29 PRO CB C 29 32.813 31.499 1.314 1
1 314 . 15 1 1 A 30 30 ARG H H 30 9.132 7.566 1.566 1
1 315 . 15 1 1 A 30 30 ARG HA H 30 4.087 4.430 -0.343 1
1 322 . 15 1 1 A 30 30 ARG CA C 30 55.102 54.618 0.484 1
1 323 . 15 1 1 A 30 30 ARG CB C 30 29.469 29.912 -0.443 1
1 326 . 15 1 1 A 30 30 ARG N N 30 127.589 121.125 6.464 1
1 327 . 15 1 1 A 31 31 PRO HA H 31 4.242 4.299 -0.057 1
1 334 . 15 1 1 A 31 31 PRO C C 31 177.828 178.949 -1.121 1
1 335 . 15 1 1 A 31 31 PRO CA C 31 64.202 65.280 -1.078 1
1 336 . 15 1 1 A 31 31 PRO CB C 31 31.518 31.739 -0.221 1
1 339 . 15 1 1 A 32 32 GLY H H 32 8.773 8.414 0.359 1
1 340 . 15 1 1 A 32 32 GLY HA2 H 32 4.065 3.818 0.247 1
1 341 . 15 1 1 A 32 32 GLY HA3 H 32 3.706 3.819 -0.113 1
1 342 . 15 1 1 A 32 32 GLY C C 32 173.340 174.579 -1.239 1
1 343 . 15 1 1 A 32 32 GLY CA C 32 45.272 46.915 -1.643 1
1 344 . 15 1 1 A 32 32 GLY N N 32 111.942 105.906 6.036 1
1 345 . 15 1 1 A 33 33 CYS H H 33 7.749 7.795 -0.046 1
1 346 . 15 1 1 A 33 33 CYS HA H 33 4.528 4.483 0.045 1
1 349 . 15 1 1 A 33 33 CYS CA C 33 60.515 58.576 1.939 1
1 350 . 15 1 1 A 33 33 CYS CB C 33 29.641 27.523 2.118 1
1 351 . 15 1 1 A 33 33 CYS N N 33 123.343 119.224 4.119 1
1 352 . 15 1 1 A 34 34 GLY H H 34 8.351 8.844 -0.493 1
1 353 . 15 1 1 A 34 34 GLY HA2 H 34 4.120 4.047 0.073 1
1 354 . 15 1 1 A 34 34 GLY HA3 H 34 3.911 4.054 -0.143 1
1 355 . 15 1 1 A 34 34 GLY C C 34 173.849 175.550 -1.701 1
1 356 . 15 1 1 A 34 34 GLY CA C 34 46.225 46.273 -0.048 1
1 357 . 15 1 1 A 34 34 GLY N N 34 106.570 115.349 -8.779 1
1 358 . 15 1 1 A 35 35 ALA H H 35 8.591 7.223 1.368 1
1 359 . 15 1 1 A 35 35 ALA HA H 35 4.091 3.998 0.093 1
1 363 . 15 1 1 A 35 35 ALA C C 35 176.818 178.213 -1.395 1
1 364 . 15 1 1 A 35 35 ALA CA C 35 53.757 55.547 -1.790 1
1 365 . 15 1 1 A 35 35 ALA CB C 35 20.271 18.475 1.796 1
1 366 . 15 1 1 A 35 35 ALA N N 35 125.109 123.539 1.570 1
1 367 . 15 1 1 A 36 36 GLY H H 36 8.348 8.248 0.100 1
1 368 . 15 1 1 A 36 36 GLY HA2 H 36 4.412 3.923 0.489 1
1 369 . 15 1 1 A 36 36 GLY HA3 H 36 3.479 3.935 -0.456 1
1 370 . 15 1 1 A 36 36 GLY C C 36 177.324 173.631 3.693 1
1 371 . 15 1 1 A 36 36 GLY CA C 36 45.847 47.158 -1.311 1
1 372 . 15 1 1 A 36 36 GLY N N 36 106.607 106.064 0.543 1
1 373 . 15 1 1 A 37 37 LEU H H 37 8.190 7.722 0.468 1
1 374 . 15 1 1 A 37 37 LEU HA H 37 4.753 5.034 -0.281 1
1 384 . 15 1 1 A 37 37 LEU C C 37 177.064 175.671 1.393 1
1 385 . 15 1 1 A 37 37 LEU CB C 37 44.730 45.624 -0.894 1
1 389 . 15 1 1 A 37 37 LEU N N 37 123.541 115.058 8.483 1
1 390 . 15 1 1 A 38 38 LEU H H 38 8.210 8.572 -0.362 1
1 391 . 15 1 1 A 38 38 LEU HA H 38 4.981 4.458 0.523 1
1 401 . 15 1 1 A 38 38 LEU CA C 38 51.755 52.853 -1.098 1
1 402 . 15 1 1 A 38 38 LEU CB C 38 42.309 42.742 -0.433 1
1 405 . 15 1 1 A 38 38 LEU N N 38 124.280 124.271 0.009 1
1 406 . 15 1 1 A 39 39 PRO HA H 39 4.600 4.455 0.145 1
1 413 . 15 1 1 A 39 39 PRO C C 39 176.647 176.823 -0.176 1
1 414 . 15 1 1 A 39 39 PRO CA C 39 62.130 62.373 -0.243 1
1 415 . 15 1 1 A 39 39 PRO CB C 39 32.686 31.990 0.696 1
1 418 . 15 1 1 A 40 40 GLU H H 40 8.631 8.516 0.115 1
1 419 . 15 1 1 A 40 40 GLU HA H 40 4.485 4.325 0.160 1
1 424 . 15 1 1 A 40 40 GLU CA C 40 55.067 55.298 -0.231 1
1 425 . 15 1 1 A 40 40 GLU CB C 40 29.310 29.410 -0.100 1
1 426 . 15 1 1 A 40 40 GLU N N 40 122.240 120.961 1.279 1
1 427 . 15 1 1 A 41 41 PRO HA H 41 3.869 4.410 -0.541 1
1 434 . 15 1 1 A 41 41 PRO C C 41 176.908 175.978 0.930 1
1 435 . 15 1 1 A 41 41 PRO CA C 41 64.772 63.953 0.819 1
1 436 . 15 1 1 A 41 41 PRO CB C 41 32.172 31.188 0.984 1
1 439 . 15 1 1 A 42 42 ASP H H 42 8.486 7.902 0.584 1
1 440 . 15 1 1 A 42 42 ASP HA H 42 4.456 4.840 -0.384 1
1 443 . 15 1 1 A 42 42 ASP C C 42 175.265 175.710 -0.445 1
1 444 . 15 1 1 A 42 42 ASP CA C 42 54.480 53.269 1.211 1
1 445 . 15 1 1 A 42 42 ASP CB C 42 40.139 42.282 -2.143 1
1 446 . 15 1 1 A 42 42 ASP N N 42 114.895 120.154 -5.259 1
1 447 . 15 1 1 A 43 43 GLN H H 43 7.280 8.868 -1.588 1
1 448 . 15 1 1 A 43 43 GLN HA H 43 4.420 3.964 0.456 1
1 455 . 15 1 1 A 43 43 GLN CA C 43 54.877 58.323 -3.446 1
1 456 . 15 1 1 A 43 43 GLN CB C 43 30.219 27.849 2.370 1
1 458 . 15 1 1 A 43 43 GLN N N 43 118.523 124.332 -5.809 1
1 460 . 15 1 1 A 44 44 ARG H H 44 8.207 7.803 0.404 1
1 461 . 15 1 1 A 44 44 ARG HA H 44 4.206 4.091 0.115 1
1 468 . 15 1 1 A 44 44 ARG C C 44 175.581 176.842 -1.261 1
1 469 . 15 1 1 A 44 44 ARG CA C 44 58.285 58.859 -0.574 1
1 470 . 15 1 1 A 44 44 ARG CB C 44 32.175 30.212 1.963 1
1 473 . 15 1 1 A 44 44 ARG N N 44 120.127 118.503 1.624 1
1 474 . 15 1 1 A 45 45 LYS H H 45 7.909 7.552 0.357 1
1 475 . 15 1 1 A 45 45 LYS HA H 45 3.985 4.862 -0.877 1
1 484 . 15 1 1 A 45 45 LYS C C 45 174.753 174.099 0.654 1
1 485 . 15 1 1 A 45 45 LYS CA C 45 56.378 55.599 0.779 1
1 486 . 15 1 1 A 45 45 LYS CB C 45 32.190 34.596 -2.406 1
1 490 . 15 1 1 A 45 45 LYS N N 45 118.935 119.491 -0.556 1
1 491 . 15 1 1 A 46 46 VAL H H 46 8.574 9.066 -0.492 1
1 492 . 15 1 1 A 46 46 VAL HA H 46 3.870 4.609 -0.739 1
1 500 . 15 1 1 A 46 46 VAL C C 46 173.589 174.946 -1.357 1
1 501 . 15 1 1 A 46 46 VAL CA C 46 60.777 60.861 -0.084 1
1 502 . 15 1 1 A 46 46 VAL CB C 46 32.263 33.264 -1.001 1
1 505 . 15 1 1 A 46 46 VAL N N 46 130.468 126.029 4.439 1
1 506 . 15 1 1 A 47 47 THR H H 47 8.098 8.843 -0.745 1
1 507 . 15 1 1 A 47 47 THR HA H 47 4.864 4.692 0.172 1
1 512 . 15 1 1 A 47 47 THR C C 47 173.666 174.937 -1.271 1
1 513 . 15 1 1 A 47 47 THR CA C 47 61.070 61.742 -0.672 1
1 514 . 15 1 1 A 47 47 THR CB C 47 69.693 70.596 -0.903 1
1 516 . 15 1 1 A 47 47 THR N N 47 120.392 122.261 -1.869 1
1 517 . 15 1 1 A 48 48 CYS H H 48 8.928 9.072 -0.144 1
1 518 . 15 1 1 A 48 48 CYS HA H 48 4.581 4.719 -0.138 1
1 521 . 15 1 1 A 48 48 CYS C C 48 174.212 174.808 -0.596 1
1 522 . 15 1 1 A 48 48 CYS CA C 48 59.848 59.529 0.319 1
1 523 . 15 1 1 A 48 48 CYS CB C 48 29.425 29.176 0.249 1
1 524 . 15 1 1 A 48 48 CYS N N 48 130.472 122.554 7.918 1
1 525 . 15 1 1 A 49 49 GLU H H 49 7.552 7.802 -0.250 1
1 526 . 15 1 1 A 49 49 GLU HA H 49 4.647 4.650 -0.003 1
1 531 . 15 1 1 A 49 49 GLU C C 49 175.297 176.642 -1.345 1
1 532 . 15 1 1 A 49 49 GLU CA C 49 55.852 55.770 0.082 1
1 533 . 15 1 1 A 49 49 GLU CB C 49 31.404 31.479 -0.075 1
1 535 . 15 1 1 A 49 49 GLU N N 49 128.705 119.118 9.587 1
1 536 . 15 1 1 A 50 50 GLY H H 50 8.459 8.482 -0.023 1
1 537 . 15 1 1 A 50 50 GLY HA2 H 50 4.128 4.160 -0.032 1
1 538 . 15 1 1 A 50 50 GLY HA3 H 50 3.916 4.166 -0.250 1
1 539 . 15 1 1 A 50 50 GLY C C 50 174.247 174.011 0.236 1
1 540 . 15 1 1 A 50 50 GLY CA C 50 45.243 45.569 -0.326 1
1 541 . 15 1 1 A 50 50 GLY N N 50 109.953 107.605 2.348 1
1 542 . 15 1 1 A 51 51 GLY H H 51 8.548 7.854 0.694 1
1 543 . 15 1 1 A 51 51 GLY HA2 H 51 3.991 4.092 -0.101 1
1 544 . 15 1 1 A 51 51 GLY HA3 H 51 3.991 4.093 -0.102 1
1 545 . 15 1 1 A 51 51 GLY C C 51 174.381 174.271 0.110 1
1 546 . 15 1 1 A 51 51 GLY CA C 51 45.714 45.822 -0.108 1
1 547 . 15 1 1 A 51 51 GLY N N 51 109.074 108.567 0.507 1
1 548 . 15 1 1 A 52 52 ASN H H 52 8.740 8.689 0.051 1
1 549 . 15 1 1 A 52 52 ASN HA H 52 4.566 4.785 -0.219 1
1 554 . 15 1 1 A 52 52 ASN C C 52 175.686 177.641 -1.955 1
1 555 . 15 1 1 A 52 52 ASN CA C 52 53.618 55.838 -2.220 1
1 556 . 15 1 1 A 52 52 ASN CB C 52 38.009 39.074 -1.065 1
1 557 . 15 1 1 A 52 52 ASN N N 52 118.415 118.835 -0.420 1
1 559 . 15 1 1 A 53 53 GLY H H 53 8.367 8.077 0.290 1
1 560 . 15 1 1 A 53 53 GLY HA2 H 53 4.101 3.743 0.358 1
1 561 . 15 1 1 A 53 53 GLY HA3 H 53 3.808 3.744 0.064 1
1 562 . 15 1 1 A 53 53 GLY C C 53 174.323 174.916 -0.593 1
1 563 . 15 1 1 A 53 53 GLY CA C 53 45.675 46.961 -1.286 1
1 564 . 15 1 1 A 53 53 GLY N N 53 107.419 107.295 0.124 1
1 565 . 15 1 1 A 54 54 LEU H H 54 7.703 7.630 0.073 1
1 566 . 15 1 1 A 54 54 LEU HA H 54 4.405 4.107 0.298 1
1 576 . 15 1 1 A 54 54 LEU C C 54 177.359 177.474 -0.115 1
1 577 . 15 1 1 A 54 54 LEU CA C 54 55.162 56.588 -1.426 1
1 578 . 15 1 1 A 54 54 LEU CB C 54 42.742 42.234 0.508 1
1 582 . 15 1 1 A 54 54 LEU N N 54 121.020 121.062 -0.042 1
1 583 . 15 1 1 A 55 55 GLY H H 55 8.265 8.813 -0.548 1
1 584 . 15 1 1 A 55 55 GLY HA2 H 55 4.112 4.229 -0.117 1
1 585 . 15 1 1 A 55 55 GLY HA3 H 55 4.112 4.240 -0.128 1
1 586 . 15 1 1 A 55 55 GLY C C 55 174.453 175.054 -0.601 1
1 587 . 15 1 1 A 55 55 GLY CA C 55 45.438 45.189 0.249 1
1 588 . 15 1 1 A 55 55 GLY N N 55 109.910 109.412 0.498 1
1 589 . 15 1 1 A 56 56 CYS H H 56 10.071 8.304 1.767 1
1 590 . 15 1 1 A 56 56 CYS HA H 56 4.928 4.255 0.673 1
1 593 . 15 1 1 A 56 56 CYS C C 56 177.993 175.275 2.718 1
1 594 . 15 1 1 A 56 56 CYS CA C 56 59.541 60.429 -0.888 1
1 595 . 15 1 1 A 56 56 CYS CB C 56 32.099 28.064 4.035 1
1 596 . 15 1 1 A 56 56 CYS N N 56 124.504 122.390 2.114 1
1 597 . 15 1 1 A 57 57 GLY H H 57 9.174 8.366 0.808 1
1 598 . 15 1 1 A 57 57 GLY HA2 H 57 4.313 4.006 0.307 1
1 599 . 15 1 1 A 57 57 GLY HA3 H 57 3.668 4.017 -0.349 1
1 600 . 15 1 1 A 57 57 GLY C C 57 173.686 173.830 -0.144 1
1 601 . 15 1 1 A 57 57 GLY CA C 57 45.860 45.342 0.518 1
1 602 . 15 1 1 A 57 57 GLY N N 57 114.428 108.308 6.120 1
1 603 . 15 1 1 A 58 58 PHE H H 58 9.036 7.752 1.284 1
1 604 . 15 1 1 A 58 58 PHE HA H 58 4.623 4.866 -0.243 1
1 611 . 15 1 1 A 58 58 PHE C C 58 173.896 174.499 -0.603 1
1 612 . 15 1 1 A 58 58 PHE CA C 58 58.969 57.014 1.955 1
1 613 . 15 1 1 A 58 58 PHE CB C 58 41.132 41.394 -0.262 1
1 614 . 15 1 1 A 58 58 PHE N N 58 125.130 119.524 5.606 1
1 615 . 15 1 1 A 59 59 ALA H H 59 7.570 8.537 -0.967 1
1 616 . 15 1 1 A 59 59 ALA HA H 59 5.486 4.669 0.817 1
1 620 . 15 1 1 A 59 59 ALA C C 59 176.469 177.920 -1.451 1
1 621 . 15 1 1 A 59 59 ALA CA C 59 49.817 53.138 -3.321 1
1 622 . 15 1 1 A 59 59 ALA CB C 59 19.826 19.150 0.676 1
1 623 . 15 1 1 A 59 59 ALA N N 59 128.638 130.228 -1.590 1
1 624 . 15 1 1 A 60 60 PHE H H 60 9.387 8.930 0.457 1
1 625 . 15 1 1 A 60 60 PHE HA H 60 5.204 5.590 -0.386 1
1 632 . 15 1 1 A 60 60 PHE C C 60 172.955 172.560 0.395 1
1 633 . 15 1 1 A 60 60 PHE CA C 60 54.353 55.365 -1.012 1
1 634 . 15 1 1 A 60 60 PHE CB C 60 42.246 41.631 0.615 1
1 637 . 15 1 1 A 60 60 PHE N N 60 121.410 116.860 4.550 1
1 638 . 15 1 1 A 61 61 CYS H H 61 8.772 8.705 0.067 1
1 639 . 15 1 1 A 61 61 CYS HA H 61 4.754 4.648 0.106 1
1 642 . 15 1 1 A 61 61 CYS C C 61 177.353 175.093 2.260 1
1 643 . 15 1 1 A 61 61 CYS CA C 61 58.032 57.391 0.641 1
1 644 . 15 1 1 A 61 61 CYS CB C 61 32.242 29.686 2.556 1
1 645 . 15 1 1 A 61 61 CYS N N 61 120.610 120.235 0.375 1
1 646 . 15 1 1 A 62 62 ARG H H 62 9.535 8.525 1.010 1
1 647 . 15 1 1 A 62 62 ARG HA H 62 4.027 3.906 0.121 1
1 654 . 15 1 1 A 62 62 ARG C C 62 175.657 177.678 -2.021 1
1 655 . 15 1 1 A 62 62 ARG CA C 62 59.330 59.138 0.192 1
1 656 . 15 1 1 A 62 62 ARG CB C 62 31.196 29.861 1.335 1
1 659 . 15 1 1 A 62 62 ARG N N 62 130.041 127.987 2.054 1
1 660 . 15 1 1 A 63 63 GLU H H 63 8.721 7.966 0.755 1
1 661 . 15 1 1 A 63 63 GLU HA H 63 4.394 4.120 0.274 1
1 666 . 15 1 1 A 63 63 GLU C C 63 177.341 178.034 -0.693 1
1 667 . 15 1 1 A 63 63 GLU CA C 63 58.404 59.392 -0.988 1
1 668 . 15 1 1 A 63 63 GLU CB C 63 30.501 29.529 0.972 1
1 670 . 15 1 1 A 63 63 GLU N N 63 118.534 119.109 -0.575 1
1 671 . 15 1 1 A 64 64 CYS H H 64 8.050 7.824 0.226 1
1 672 . 15 1 1 A 64 64 CYS HA H 64 4.962 4.603 0.359 1
1 675 . 15 1 1 A 64 64 CYS C C 64 176.019 175.324 0.695 1
1 676 . 15 1 1 A 64 64 CYS CA C 64 58.858 58.197 0.661 1
1 677 . 15 1 1 A 64 64 CYS CB C 64 32.103 27.880 4.223 1
1 678 . 15 1 1 A 64 64 CYS N N 64 116.495 114.951 1.544 1
1 679 . 15 1 1 A 65 65 LYS H H 65 8.489 8.143 0.346 1
1 680 . 15 1 1 A 65 65 LYS HA H 65 4.191 4.506 -0.315 1
1 687 . 15 1 1 A 65 65 LYS C C 65 174.742 175.443 -0.701 1
1 688 . 15 1 1 A 65 65 LYS CA C 65 58.883 57.299 1.584 1
1 689 . 15 1 1 A 65 65 LYS CB C 65 28.865 30.194 -1.329 1
1 693 . 15 1 1 A 65 65 LYS N N 65 117.320 120.518 -3.198 1
1 694 . 15 1 1 A 66 66 GLU H H 66 8.272 7.505 0.767 1
1 695 . 15 1 1 A 66 66 GLU HA H 66 4.721 4.789 -0.068 1
1 700 . 15 1 1 A 66 66 GLU C C 66 175.422 175.645 -0.223 1
1 701 . 15 1 1 A 66 66 GLU CA C 66 55.285 54.584 0.701 1
1 702 . 15 1 1 A 66 66 GLU CB C 66 31.666 32.840 -1.174 1
1 704 . 15 1 1 A 66 66 GLU N N 66 117.719 119.749 -2.030 1
1 705 . 15 1 1 A 67 67 ALA H H 67 8.766 8.510 0.256 1
1 706 . 15 1 1 A 67 67 ALA HA H 67 4.177 4.418 -0.241 1
1 710 . 15 1 1 A 67 67 ALA C C 67 177.459 177.014 0.445 1
1 711 . 15 1 1 A 67 67 ALA CA C 67 53.019 53.129 -0.110 1
1 712 . 15 1 1 A 67 67 ALA CB C 67 18.548 19.079 -0.531 1
1 713 . 15 1 1 A 67 67 ALA N N 67 120.597 124.096 -3.499 1
1 714 . 15 1 1 A 68 68 TYR H H 68 8.061 8.897 -0.836 1
1 715 . 15 1 1 A 68 68 TYR HA H 68 4.531 4.360 0.171 1
1 722 . 15 1 1 A 68 68 TYR CA C 68 58.242 59.647 -1.405 1
1 723 . 15 1 1 A 68 68 TYR CB C 68 38.531 39.139 -0.608 1
1 728 . 15 1 1 A 68 68 TYR N N 68 120.592 124.094 -3.502 1
1 729 . 15 1 1 A 69 69 HIS HA H 69 4.643 5.533 -0.890 1
1 734 . 15 1 1 A 69 69 HIS C C 69 173.158 175.903 -2.745 1
1 735 . 15 1 1 A 69 69 HIS CA C 69 51.310 53.596 -2.286 1
1 736 . 15 1 1 A 69 69 HIS CB C 69 32.038 32.581 -0.543 1
1 739 . 15 1 1 A 70 70 GLU H H 70 8.796 9.366 -0.570 1
1 740 . 15 1 1 A 70 70 GLU HA H 70 4.238 4.511 -0.273 1
1 745 . 15 1 1 A 70 70 GLU C C 70 178.838 176.819 2.019 1
1 746 . 15 1 1 A 70 70 GLU CA C 70 55.450 57.236 -1.786 1
1 747 . 15 1 1 A 70 70 GLU CB C 70 30.527 30.089 0.438 1
1 749 . 15 1 1 A 70 70 GLU N N 70 120.194 119.610 0.584 1
1 750 . 15 1 1 A 71 71 GLY H H 71 8.876 8.021 0.855 1
1 751 . 15 1 1 A 71 71 GLY HA2 H 71 4.082 3.999 0.083 1
1 752 . 15 1 1 A 71 71 GLY HA3 H 71 3.910 4.033 -0.123 1
1 753 . 15 1 1 A 71 71 GLY C C 71 173.634 173.281 0.353 1
1 754 . 15 1 1 A 71 71 GLY CA C 71 45.615 45.449 0.166 1
1 755 . 15 1 1 A 71 71 GLY N N 71 111.118 108.538 2.580 1
1 756 . 15 1 1 A 72 72 GLU H H 72 8.391 7.679 0.712 1
1 757 . 15 1 1 A 72 72 GLU HA H 72 4.360 4.385 -0.025 1
1 762 . 15 1 1 A 72 72 GLU C C 72 177.319 175.359 1.960 1
1 763 . 15 1 1 A 72 72 GLU CA C 72 56.571 55.733 0.838 1
1 764 . 15 1 1 A 72 72 GLU CB C 72 30.411 33.314 -2.903 1
1 766 . 15 1 1 A 72 72 GLU N N 72 118.939 118.258 0.681 1
1 767 . 15 1 1 A 73 73 CYS H H 73 8.574 8.639 -0.065 1
1 768 . 15 1 1 A 73 73 CYS HA H 73 3.770 4.163 -0.393 1
1 771 . 15 1 1 A 73 73 CYS C C 73 176.052 176.744 -0.692 1
1 772 . 15 1 1 A 73 73 CYS CA C 73 60.416 62.371 -1.955 1
1 773 . 15 1 1 A 73 73 CYS CB C 73 30.793 27.204 3.589 1
1 774 . 15 1 1 A 73 73 CYS N N 73 123.479 123.849 -0.370 1
1 775 . 15 1 1 A 74 74 SER H H 74 8.541 7.816 0.725 1
1 776 . 15 1 1 A 74 74 SER HA H 74 4.288 4.495 -0.207 1
1 779 . 15 1 1 A 74 74 SER C C 74 174.140 173.979 0.161 1
1 780 . 15 1 1 A 74 74 SER CA C 74 58.591 60.175 -1.584 1
1 781 . 15 1 1 A 74 74 SER CB C 74 63.626 64.069 -0.443 1
1 782 . 15 1 1 A 74 74 SER N N 74 117.297 115.456 1.841 1
1 783 . 15 1 1 A 75 75 ALA H H 75 8.092 7.473 0.619 1
1 784 . 15 1 1 A 75 75 ALA HA H 75 4.312 4.521 -0.209 1
1 788 . 15 1 1 A 75 75 ALA C C 75 177.173 175.551 1.622 1
1 789 . 15 1 1 A 75 75 ALA CA C 75 52.403 51.495 0.908 1
1 790 . 15 1 1 A 75 75 ALA CB C 75 19.546 22.499 -2.953 1
1 791 . 15 1 1 A 75 75 ALA N N 75 125.952 119.800 6.152 1
1 792 . 15 1 1 A 76 76 VAL H H 76 7.934 8.539 -0.605 1
1 793 . 15 1 1 A 76 76 VAL HA H 76 4.028 4.834 -0.806 1
1 801 . 15 1 1 A 76 76 VAL C C 76 175.784 175.075 0.709 1
1 802 . 15 1 1 A 76 76 VAL CA C 76 62.265 62.376 -0.111 1
1 803 . 15 1 1 A 76 76 VAL CB C 76 32.893 31.969 0.924 1
1 806 . 15 1 1 A 76 76 VAL N N 76 118.959 119.867 -0.908 1
1 807 . 15 1 1 A 77 77 PHE H H 77 8.283 9.154 -0.871 1
1 808 . 15 1 1 A 77 77 PHE HA H 77 4.670 5.203 -0.533 1
1 813 . 15 1 1 A 77 77 PHE C C 77 175.335 174.142 1.193 1
1 814 . 15 1 1 A 77 77 PHE CA C 77 57.588 56.495 1.093 1
1 815 . 15 1 1 A 77 77 PHE CB C 77 39.899 44.533 -4.634 1
1 818 . 15 1 1 A 77 77 PHE N N 77 124.298 126.208 -1.910 1
1 819 . 15 1 1 A 78 78 GLU H H 78 8.262 9.005 -0.743 1
1 820 . 15 1 1 A 78 78 GLU HA H 78 4.251 5.131 -0.880 1
1 825 . 15 1 1 A 78 78 GLU C C 78 175.451 174.712 0.739 1
1 826 . 15 1 1 A 78 78 GLU CA C 78 56.179 54.830 1.349 1
1 827 . 15 1 1 A 78 78 GLU CB C 78 30.676 33.966 -3.290 1
1 829 . 15 1 1 A 78 78 GLU N N 78 123.482 120.549 2.933 1
1 830 . 15 1 1 A 79 79 ALA H H 79 8.279 8.737 -0.458 1
1 831 . 15 1 1 A 79 79 ALA HA H 79 4.341 5.335 -0.994 1
1 835 . 15 1 1 A 79 79 ALA C C 79 176.767 176.499 0.268 1
1 836 . 15 1 1 A 79 79 ALA CA C 79 52.512 50.535 1.977 1
1 837 . 15 1 1 A 79 79 ALA CB C 79 19.493 22.710 -3.217 1
1 838 . 15 1 1 A 79 79 ALA N N 79 126.363 123.277 3.086 1
1 6 . 16 1 1 A 2 2 HIS H H 2 7.929 8.540 -0.611 1
1 9 . 16 1 1 A 2 2 HIS CB C 2 31.017 31.096 -0.079 1
1 12 . 16 1 1 A 2 2 HIS N N 2 118.946 120.591 -1.645 1
1 13 . 16 1 1 A 3 3 MET HA H 3 4.537 5.114 -0.577 1
1 16 . 16 1 1 A 3 3 MET C C 3 176.240 175.854 0.386 1
1 17 . 16 1 1 A 3 3 MET CA C 3 55.681 54.465 1.216 1
1 18 . 16 1 1 A 3 3 MET CB C 3 33.063 34.551 -1.488 1
1 20 . 16 1 1 A 4 4 GLY H H 4 8.155 8.337 -0.182 1
1 21 . 16 1 1 A 4 4 GLY HA2 H 4 4.031 4.135 -0.104 1
1 22 . 16 1 1 A 4 4 GLY HA3 H 4 4.031 4.158 -0.127 1
1 23 . 16 1 1 A 4 4 GLY C C 4 174.348 172.568 1.780 1
1 24 . 16 1 1 A 4 4 GLY CA C 4 45.418 45.837 -0.419 1
1 25 . 16 1 1 A 4 4 GLY N N 4 108.673 110.626 -1.953 1
1 26 . 16 1 1 A 5 5 GLU H H 5 8.351 8.624 -0.273 1
1 27 . 16 1 1 A 5 5 GLU HA H 5 4.275 4.947 -0.672 1
1 32 . 16 1 1 A 5 5 GLU C C 5 177.037 176.205 0.832 1
1 33 . 16 1 1 A 5 5 GLU CA C 5 57.098 55.413 1.685 1
1 34 . 16 1 1 A 5 5 GLU CB C 5 30.282 30.916 -0.634 1
1 36 . 16 1 1 A 5 5 GLU N N 5 120.605 121.723 -1.118 1
1 37 . 16 1 1 A 6 6 GLU H H 6 8.641 8.656 -0.015 1
1 38 . 16 1 1 A 6 6 GLU HA H 6 4.248 4.466 -0.218 1
1 43 . 16 1 1 A 6 6 GLU C C 6 176.799 176.680 0.119 1
1 44 . 16 1 1 A 6 6 GLU CA C 6 57.344 57.545 -0.201 1
1 45 . 16 1 1 A 6 6 GLU CB C 6 29.842 30.813 -0.971 1
1 47 . 16 1 1 A 6 6 GLU N N 6 121.425 123.517 -2.092 1
1 48 . 16 1 1 A 7 7 GLN H H 7 8.304 8.047 0.257 1
1 53 . 16 1 1 A 7 7 GLN C C 7 175.537 173.674 1.863 1
1 54 . 16 1 1 A 7 7 GLN CA C 7 56.292 57.184 -0.892 1
1 55 . 16 1 1 A 7 7 GLN CB C 7 29.164 26.691 2.473 1
1 57 . 16 1 1 A 7 7 GLN N N 7 120.185 117.319 2.866 1
1 59 . 16 1 1 A 8 8 TYR H H 8 8.221 7.777 0.444 1
1 60 . 16 1 1 A 8 8 TYR HA H 8 4.606 5.144 -0.538 1
1 67 . 16 1 1 A 8 8 TYR C C 8 175.728 174.601 1.127 1
1 68 . 16 1 1 A 8 8 TYR CA C 8 58.138 56.858 1.280 1
1 69 . 16 1 1 A 8 8 TYR CB C 8 38.766 42.028 -3.262 1
1 70 . 16 1 1 A 8 8 TYR N N 8 120.918 117.737 3.181 1
1 71 . 16 1 1 A 9 9 ASN H H 9 8.288 8.978 -0.690 1
1 72 . 16 1 1 A 9 9 ASN HA H 9 4.654 5.488 -0.834 1
1 77 . 16 1 1 A 9 9 ASN C C 9 175.439 174.008 1.431 1
1 78 . 16 1 1 A 9 9 ASN CA C 9 53.435 51.380 2.055 1
1 79 . 16 1 1 A 9 9 ASN CB C 9 38.790 42.560 -3.770 1
1 80 . 16 1 1 A 9 9 ASN N N 9 120.180 118.962 1.218 1
1 82 . 16 1 1 A 10 10 ARG H H 10 8.128 8.466 -0.338 1
1 83 . 16 1 1 A 10 10 ARG HA H 10 4.171 4.396 -0.225 1
1 90 . 16 1 1 A 10 10 ARG C C 10 176.244 175.522 0.722 1
1 91 . 16 1 1 A 10 10 ARG CA C 10 57.023 57.069 -0.046 1
1 92 . 16 1 1 A 10 10 ARG CB C 10 30.535 30.891 -0.356 1
1 95 . 16 1 1 A 10 10 ARG N N 10 121.014 123.637 -2.623 1
1 96 . 16 1 1 A 11 11 TYR H H 11 8.108 8.817 -0.709 1
1 97 . 16 1 1 A 11 11 TYR HA H 11 4.543 4.680 -0.137 1
1 104 . 16 1 1 A 11 11 TYR C C 11 175.929 174.690 1.239 1
1 105 . 16 1 1 A 11 11 TYR CA C 11 58.219 57.247 0.972 1
1 106 . 16 1 1 A 11 11 TYR CB C 11 38.365 38.514 -0.149 1
1 107 . 16 1 1 A 11 11 TYR N N 11 119.776 124.161 -4.385 1
1 108 . 16 1 1 A 12 12 GLN H H 12 8.050 8.463 -0.413 1
1 109 . 16 1 1 A 12 12 GLN HA H 12 4.269 4.940 -0.671 1
1 116 . 16 1 1 A 12 12 GLN C C 12 175.917 174.558 1.359 1
1 117 . 16 1 1 A 12 12 GLN CA C 12 56.240 54.442 1.798 1
1 118 . 16 1 1 A 12 12 GLN CB C 12 29.463 30.385 -0.922 1
1 120 . 16 1 1 A 12 12 GLN N N 12 120.992 126.330 -5.338 1
1 122 . 16 1 1 A 13 13 GLN H H 13 8.065 8.822 -0.757 1
1 123 . 16 1 1 A 13 13 GLN HA H 13 4.202 5.379 -1.177 1
1 130 . 16 1 1 A 13 13 GLN C C 13 175.644 173.922 1.722 1
1 131 . 16 1 1 A 13 13 GLN CA C 13 56.242 53.503 2.739 1
1 132 . 16 1 1 A 13 13 GLN CB C 13 29.394 31.998 -2.604 1
1 134 . 16 1 1 A 13 13 GLN N N 13 120.539 121.873 -1.334 1
1 136 . 16 1 1 A 14 14 TYR H H 14 8.212 8.878 -0.666 1
1 137 . 16 1 1 A 14 14 TYR HA H 14 4.572 5.003 -0.431 1
1 144 . 16 1 1 A 14 14 TYR C C 14 176.382 175.384 0.998 1
1 145 . 16 1 1 A 14 14 TYR CA C 14 57.958 57.319 0.639 1
1 146 . 16 1 1 A 14 14 TYR CB C 14 38.983 41.400 -2.417 1
1 151 . 16 1 1 A 14 14 TYR N N 14 120.582 120.553 0.029 1
1 152 . 16 1 1 A 15 15 GLY H H 15 8.405 8.575 -0.170 1
1 153 . 16 1 1 A 15 15 GLY HA2 H 15 3.933 3.610 0.323 1
1 154 . 16 1 1 A 15 15 GLY HA3 H 15 3.933 3.691 0.242 1
1 155 . 16 1 1 A 15 15 GLY C C 15 173.776 173.038 0.738 1
1 156 . 16 1 1 A 15 15 GLY CA C 15 45.407 45.964 -0.557 1
1 157 . 16 1 1 A 15 15 GLY N N 15 110.724 116.142 -5.418 1
1 158 . 16 1 1 A 16 16 ALA H H 16 8.160 8.188 -0.028 1
1 159 . 16 1 1 A 16 16 ALA HA H 16 4.302 4.674 -0.372 1
1 163 . 16 1 1 A 16 16 ALA C C 16 178.147 177.057 1.090 1
1 164 . 16 1 1 A 16 16 ALA CA C 16 53.034 51.443 1.591 1
1 165 . 16 1 1 A 16 16 ALA CB C 16 19.392 21.119 -1.727 1
1 166 . 16 1 1 A 16 16 ALA N N 16 123.489 124.482 -0.993 1
1 167 . 16 1 1 A 17 17 GLU H H 17 8.612 8.933 -0.321 1
1 168 . 16 1 1 A 17 17 GLU HA H 17 4.169 3.888 0.281 1
1 173 . 16 1 1 A 17 17 GLU C C 17 177.000 175.911 1.089 1
1 174 . 16 1 1 A 17 17 GLU CA C 17 57.837 57.415 0.422 1
1 175 . 16 1 1 A 17 17 GLU CB C 17 29.881 28.180 1.701 1
1 177 . 16 1 1 A 17 17 GLU N N 17 119.373 123.217 -3.844 1
1 178 . 16 1 1 A 18 18 GLU H H 18 8.413 7.849 0.564 1
1 179 . 16 1 1 A 18 18 GLU HA H 18 4.210 4.749 -0.539 1
1 184 . 16 1 1 A 18 18 GLU C C 18 177.015 175.307 1.708 1
1 185 . 16 1 1 A 18 18 GLU CA C 18 57.641 55.307 2.334 1
1 186 . 16 1 1 A 18 18 GLU CB C 18 29.980 31.160 -1.180 1
1 188 . 16 1 1 A 18 18 GLU N N 18 120.184 118.708 1.476 1
1 189 . 16 1 1 A 19 19 CYS H H 19 8.253 8.546 -0.293 1
1 190 . 16 1 1 A 19 19 CYS HA H 19 4.381 4.954 -0.573 1
1 193 . 16 1 1 A 19 19 CYS C C 19 175.552 173.454 2.098 1
1 194 . 16 1 1 A 19 19 CYS CA C 19 59.819 58.569 1.250 1
1 195 . 16 1 1 A 19 19 CYS CB C 19 27.554 30.320 -2.766 1
1 196 . 16 1 1 A 19 19 CYS N N 19 119.775 124.043 -4.268 1
1 197 . 16 1 1 A 20 20 VAL H H 20 8.051 8.530 -0.479 1
1 198 . 16 1 1 A 20 20 VAL HA H 20 3.939 3.731 0.208 1
1 206 . 16 1 1 A 20 20 VAL C C 20 173.904 175.587 -1.683 1
1 207 . 16 1 1 A 20 20 VAL CA C 20 64.113 63.211 0.902 1
1 208 . 16 1 1 A 20 20 VAL CB C 20 32.316 29.618 2.698 1
1 211 . 16 1 1 A 20 20 VAL N N 20 121.008 119.282 1.726 1
1 212 . 16 1 1 A 21 21 LEU H H 21 8.190 7.689 0.501 1
1 213 . 16 1 1 A 21 21 LEU HA H 21 4.648 4.483 0.165 1
1 222 . 16 1 1 A 21 21 LEU CA C 21 54.565 56.075 -1.510 1
1 223 . 16 1 1 A 21 21 LEU CB C 21 41.542 43.503 -1.961 1
1 225 . 16 1 1 A 21 21 LEU N N 21 123.470 121.756 1.714 1
1 226 . 16 1 1 A 22 22 GLN H H 22 8.322 7.527 0.795 1
1 227 . 16 1 1 A 22 22 GLN HA H 22 4.046 4.766 -0.720 1
1 230 . 16 1 1 A 22 22 GLN C C 22 176.428 176.155 0.273 1
1 231 . 16 1 1 A 22 22 GLN CA C 22 56.800 53.958 2.842 1
1 232 . 16 1 1 A 22 22 GLN CB C 22 29.116 31.561 -2.445 1
1 234 . 16 1 1 A 22 22 GLN N N 22 120.999 113.942 7.057 1
1 236 . 16 1 1 A 23 23 MET H H 23 7.958 8.639 -0.681 1
1 237 . 16 1 1 A 23 23 MET HA H 23 4.487 4.272 0.215 1
1 245 . 16 1 1 A 23 23 MET C C 23 176.558 176.298 0.260 1
1 246 . 16 1 1 A 23 23 MET CA C 23 55.842 57.431 -1.589 1
1 247 . 16 1 1 A 23 23 MET CB C 23 32.712 32.755 -0.043 1
1 250 . 16 1 1 A 23 23 MET N N 23 118.950 119.210 -0.260 1
1 251 . 16 1 1 A 24 24 GLY H H 24 8.549 8.122 0.427 1
1 252 . 16 1 1 A 24 24 GLY HA2 H 24 4.163 3.898 0.265 1
1 253 . 16 1 1 A 24 24 GLY HA3 H 24 3.919 3.905 0.014 1
1 254 . 16 1 1 A 24 24 GLY C C 24 174.799 174.534 0.265 1
1 255 . 16 1 1 A 24 24 GLY CA C 24 45.547 46.904 -1.357 1
1 256 . 16 1 1 A 24 24 GLY N N 24 110.724 108.976 1.748 1
1 257 . 16 1 1 A 25 25 GLY H H 25 8.216 8.570 -0.354 1
1 258 . 16 1 1 A 25 25 GLY HA2 H 25 4.455 4.055 0.400 1
1 259 . 16 1 1 A 25 25 GLY HA3 H 25 3.921 4.074 -0.153 1
1 260 . 16 1 1 A 25 25 GLY C C 25 172.658 172.612 0.046 1
1 261 . 16 1 1 A 25 25 GLY CA C 25 45.087 45.187 -0.100 1
1 262 . 16 1 1 A 25 25 GLY N N 25 107.443 111.064 -3.621 1
1 263 . 16 1 1 A 26 26 VAL H H 26 8.726 8.609 0.117 1
1 264 . 16 1 1 A 26 26 VAL HA H 26 4.533 4.812 -0.279 1
1 272 . 16 1 1 A 26 26 VAL C C 26 172.923 173.956 -1.033 1
1 273 . 16 1 1 A 26 26 VAL CA C 26 59.864 59.559 0.305 1
1 274 . 16 1 1 A 26 26 VAL CB C 26 35.551 35.733 -0.182 1
1 277 . 16 1 1 A 26 26 VAL N N 26 116.467 121.115 -4.648 1
1 278 . 16 1 1 A 27 27 LEU H H 27 8.201 8.784 -0.583 1
1 279 . 16 1 1 A 27 27 LEU HA H 27 5.057 5.030 0.027 1
1 289 . 16 1 1 A 27 27 LEU C C 27 176.746 175.430 1.316 1
1 290 . 16 1 1 A 27 27 LEU CA C 27 53.134 52.752 0.382 1
1 291 . 16 1 1 A 27 27 LEU CB C 27 42.926 45.796 -2.870 1
1 294 . 16 1 1 A 27 27 LEU N N 27 124.428 123.170 1.258 1
1 295 . 16 1 1 A 28 28 CYS H H 28 8.902 8.508 0.394 1
1 296 . 16 1 1 A 28 28 CYS HA H 28 4.158 4.357 -0.199 1
1 299 . 16 1 1 A 28 28 CYS CA C 28 57.728 57.816 -0.088 1
1 300 . 16 1 1 A 28 28 CYS CB C 28 32.175 27.403 4.772 1
1 301 . 16 1 1 A 28 28 CYS N N 28 127.173 120.405 6.768 1
1 302 . 16 1 1 A 29 29 PRO HA H 29 4.410 4.514 -0.104 1
1 309 . 16 1 1 A 29 29 PRO C C 29 177.459 176.304 1.155 1
1 310 . 16 1 1 A 29 29 PRO CA C 29 62.872 64.194 -1.322 1
1 311 . 16 1 1 A 29 29 PRO CB C 29 32.813 31.494 1.319 1
1 314 . 16 1 1 A 30 30 ARG H H 30 9.132 7.851 1.281 1
1 315 . 16 1 1 A 30 30 ARG HA H 30 4.087 4.519 -0.432 1
1 322 . 16 1 1 A 30 30 ARG CA C 30 55.102 53.553 1.549 1
1 323 . 16 1 1 A 30 30 ARG CB C 30 29.469 30.304 -0.835 1
1 326 . 16 1 1 A 30 30 ARG N N 30 127.589 121.195 6.394 1
1 327 . 16 1 1 A 31 31 PRO HA H 31 4.242 4.399 -0.157 1
1 334 . 16 1 1 A 31 31 PRO C C 31 177.828 177.949 -0.121 1
1 335 . 16 1 1 A 31 31 PRO CA C 31 64.202 64.633 -0.431 1
1 336 . 16 1 1 A 31 31 PRO CB C 31 31.518 31.994 -0.476 1
1 339 . 16 1 1 A 32 32 GLY H H 32 8.773 8.455 0.318 1
1 340 . 16 1 1 A 32 32 GLY HA2 H 32 4.065 3.955 0.110 1
1 341 . 16 1 1 A 32 32 GLY HA3 H 32 3.706 3.958 -0.252 1
1 342 . 16 1 1 A 32 32 GLY C C 32 173.340 173.606 -0.266 1
1 343 . 16 1 1 A 32 32 GLY CA C 32 45.272 45.212 0.060 1
1 344 . 16 1 1 A 32 32 GLY N N 32 111.942 106.217 5.725 1
1 345 . 16 1 1 A 33 33 CYS H H 33 7.749 7.505 0.244 1
1 346 . 16 1 1 A 33 33 CYS HA H 33 4.528 4.923 -0.395 1
1 349 . 16 1 1 A 33 33 CYS CA C 33 60.515 57.355 3.160 1
1 350 . 16 1 1 A 33 33 CYS CB C 33 29.641 30.399 -0.758 1
1 351 . 16 1 1 A 33 33 CYS N N 33 123.343 119.220 4.123 1
1 352 . 16 1 1 A 34 34 GLY H H 34 8.351 8.866 -0.515 1
1 353 . 16 1 1 A 34 34 GLY HA2 H 34 4.120 4.003 0.117 1
1 354 . 16 1 1 A 34 34 GLY HA3 H 34 3.911 4.010 -0.099 1
1 355 . 16 1 1 A 34 34 GLY C C 34 173.849 175.486 -1.637 1
1 356 . 16 1 1 A 34 34 GLY CA C 34 46.225 46.283 -0.058 1
1 357 . 16 1 1 A 34 34 GLY N N 34 106.570 115.631 -9.061 1
1 358 . 16 1 1 A 35 35 ALA H H 35 8.591 7.776 0.815 1
1 359 . 16 1 1 A 35 35 ALA HA H 35 4.091 4.011 0.080 1
1 363 . 16 1 1 A 35 35 ALA C C 35 176.818 178.191 -1.373 1
1 364 . 16 1 1 A 35 35 ALA CA C 35 53.757 55.424 -1.667 1
1 365 . 16 1 1 A 35 35 ALA CB C 35 20.271 18.401 1.870 1
1 366 . 16 1 1 A 35 35 ALA N N 35 125.109 123.233 1.876 1
1 367 . 16 1 1 A 36 36 GLY H H 36 8.348 8.307 0.041 1
1 368 . 16 1 1 A 36 36 GLY HA2 H 36 4.412 3.886 0.526 1
1 369 . 16 1 1 A 36 36 GLY HA3 H 36 3.479 3.887 -0.408 1
1 370 . 16 1 1 A 36 36 GLY C C 36 177.324 173.519 3.805 1
1 371 . 16 1 1 A 36 36 GLY CA C 36 45.847 47.135 -1.288 1
1 372 . 16 1 1 A 36 36 GLY N N 36 106.607 106.288 0.319 1
1 373 . 16 1 1 A 37 37 LEU H H 37 8.190 7.364 0.826 1
1 374 . 16 1 1 A 37 37 LEU HA H 37 4.753 5.043 -0.290 1
1 384 . 16 1 1 A 37 37 LEU C C 37 177.064 175.582 1.482 1
1 385 . 16 1 1 A 37 37 LEU CB C 37 44.730 45.748 -1.018 1
1 389 . 16 1 1 A 37 37 LEU N N 37 123.541 115.015 8.526 1
1 390 . 16 1 1 A 38 38 LEU H H 38 8.210 8.481 -0.271 1
1 391 . 16 1 1 A 38 38 LEU HA H 38 4.981 4.473 0.508 1
1 401 . 16 1 1 A 38 38 LEU CA C 38 51.755 53.197 -1.442 1
1 402 . 16 1 1 A 38 38 LEU CB C 38 42.309 42.777 -0.468 1
1 405 . 16 1 1 A 38 38 LEU N N 38 124.280 123.748 0.532 1
1 406 . 16 1 1 A 39 39 PRO HA H 39 4.600 4.475 0.125 1
1 413 . 16 1 1 A 39 39 PRO C C 39 176.647 176.936 -0.289 1
1 414 . 16 1 1 A 39 39 PRO CA C 39 62.130 62.663 -0.533 1
1 415 . 16 1 1 A 39 39 PRO CB C 39 32.686 31.949 0.737 1
1 418 . 16 1 1 A 40 40 GLU H H 40 8.631 8.483 0.148 1
1 419 . 16 1 1 A 40 40 GLU HA H 40 4.485 4.385 0.100 1
1 424 . 16 1 1 A 40 40 GLU CA C 40 55.067 55.047 0.020 1
1 425 . 16 1 1 A 40 40 GLU CB C 40 29.310 28.993 0.317 1
1 426 . 16 1 1 A 40 40 GLU N N 40 122.240 121.088 1.152 1
1 427 . 16 1 1 A 41 41 PRO HA H 41 3.869 4.405 -0.536 1
1 434 . 16 1 1 A 41 41 PRO C C 41 176.908 174.762 2.146 1
1 435 . 16 1 1 A 41 41 PRO CA C 41 64.772 63.946 0.826 1
1 436 . 16 1 1 A 41 41 PRO CB C 41 32.172 31.182 0.990 1
1 439 . 16 1 1 A 42 42 ASP H H 42 8.486 7.507 0.979 1
1 440 . 16 1 1 A 42 42 ASP HA H 42 4.456 4.913 -0.457 1
1 443 . 16 1 1 A 42 42 ASP C C 42 175.265 175.831 -0.566 1
1 444 . 16 1 1 A 42 42 ASP CA C 42 54.480 53.108 1.372 1
1 445 . 16 1 1 A 42 42 ASP CB C 42 40.139 42.572 -2.433 1
1 446 . 16 1 1 A 42 42 ASP N N 42 114.895 114.649 0.246 1
1 447 . 16 1 1 A 43 43 GLN H H 43 7.280 8.847 -1.567 1
1 448 . 16 1 1 A 43 43 GLN HA H 43 4.420 3.983 0.437 1
1 455 . 16 1 1 A 43 43 GLN CA C 43 54.877 58.370 -3.493 1
1 456 . 16 1 1 A 43 43 GLN CB C 43 30.219 27.917 2.302 1
1 458 . 16 1 1 A 43 43 GLN N N 43 118.523 122.460 -3.937 1
1 460 . 16 1 1 A 44 44 ARG H H 44 8.207 7.800 0.407 1
1 461 . 16 1 1 A 44 44 ARG HA H 44 4.206 4.112 0.094 1
1 468 . 16 1 1 A 44 44 ARG C C 44 175.581 176.860 -1.279 1
1 469 . 16 1 1 A 44 44 ARG CA C 44 58.285 59.372 -1.087 1
1 470 . 16 1 1 A 44 44 ARG CB C 44 32.175 30.048 2.127 1
1 473 . 16 1 1 A 44 44 ARG N N 44 120.127 118.772 1.355 1
1 474 . 16 1 1 A 45 45 LYS H H 45 7.909 7.346 0.563 1
1 475 . 16 1 1 A 45 45 LYS HA H 45 3.985 4.677 -0.692 1
1 484 . 16 1 1 A 45 45 LYS C C 45 174.753 174.152 0.601 1
1 485 . 16 1 1 A 45 45 LYS CA C 45 56.378 55.389 0.989 1
1 486 . 16 1 1 A 45 45 LYS CB C 45 32.190 34.728 -2.538 1
1 490 . 16 1 1 A 45 45 LYS N N 45 118.935 118.733 0.202 1
1 491 . 16 1 1 A 46 46 VAL H H 46 8.574 8.971 -0.397 1
1 492 . 16 1 1 A 46 46 VAL HA H 46 3.870 4.461 -0.591 1
1 500 . 16 1 1 A 46 46 VAL C C 46 173.589 174.445 -0.856 1
1 501 . 16 1 1 A 46 46 VAL CA C 46 60.777 60.888 -0.111 1
1 502 . 16 1 1 A 46 46 VAL CB C 46 32.263 32.748 -0.485 1
1 505 . 16 1 1 A 46 46 VAL N N 46 130.468 126.980 3.488 1
1 506 . 16 1 1 A 47 47 THR H H 47 8.098 8.751 -0.653 1
1 507 . 16 1 1 A 47 47 THR HA H 47 4.864 4.372 0.492 1
1 512 . 16 1 1 A 47 47 THR C C 47 173.666 175.273 -1.607 1
1 513 . 16 1 1 A 47 47 THR CA C 47 61.070 62.469 -1.399 1
1 514 . 16 1 1 A 47 47 THR CB C 47 69.693 69.593 0.100 1
1 516 . 16 1 1 A 47 47 THR N N 47 120.392 122.278 -1.886 1
1 517 . 16 1 1 A 48 48 CYS H H 48 8.928 9.021 -0.093 1
1 518 . 16 1 1 A 48 48 CYS HA H 48 4.581 4.654 -0.073 1
1 521 . 16 1 1 A 48 48 CYS C C 48 174.212 174.900 -0.688 1
1 522 . 16 1 1 A 48 48 CYS CA C 48 59.848 60.705 -0.857 1
1 523 . 16 1 1 A 48 48 CYS CB C 48 29.425 28.230 1.195 1
1 524 . 16 1 1 A 48 48 CYS N N 48 130.472 124.103 6.369 1
1 525 . 16 1 1 A 49 49 GLU H H 49 7.552 7.847 -0.295 1
1 526 . 16 1 1 A 49 49 GLU HA H 49 4.647 4.335 0.312 1
1 531 . 16 1 1 A 49 49 GLU C C 49 175.297 176.123 -0.826 1
1 532 . 16 1 1 A 49 49 GLU CA C 49 55.852 56.499 -0.647 1
1 533 . 16 1 1 A 49 49 GLU CB C 49 31.404 30.125 1.279 1
1 535 . 16 1 1 A 49 49 GLU N N 49 128.705 120.640 8.065 1
1 536 . 16 1 1 A 50 50 GLY H H 50 8.459 8.294 0.165 1
1 537 . 16 1 1 A 50 50 GLY HA2 H 50 4.128 4.084 0.044 1
1 538 . 16 1 1 A 50 50 GLY HA3 H 50 3.916 4.085 -0.169 1
1 539 . 16 1 1 A 50 50 GLY C C 50 174.247 173.853 0.394 1
1 540 . 16 1 1 A 50 50 GLY CA C 50 45.243 44.815 0.428 1
1 541 . 16 1 1 A 50 50 GLY N N 50 109.953 112.290 -2.337 1
1 542 . 16 1 1 A 51 51 GLY H H 51 8.548 7.972 0.576 1
1 543 . 16 1 1 A 51 51 GLY HA2 H 51 3.991 4.203 -0.212 1
1 544 . 16 1 1 A 51 51 GLY HA3 H 51 3.991 4.204 -0.213 1
1 545 . 16 1 1 A 51 51 GLY C C 51 174.381 175.095 -0.714 1
1 546 . 16 1 1 A 51 51 GLY CA C 51 45.714 45.609 0.105 1
1 547 . 16 1 1 A 51 51 GLY N N 51 109.074 111.548 -2.474 1
1 548 . 16 1 1 A 52 52 ASN H H 52 8.740 8.389 0.351 1
1 549 . 16 1 1 A 52 52 ASN HA H 52 4.566 4.921 -0.355 1
1 554 . 16 1 1 A 52 52 ASN C C 52 175.686 175.752 -0.066 1
1 555 . 16 1 1 A 52 52 ASN CA C 52 53.618 53.697 -0.079 1
1 556 . 16 1 1 A 52 52 ASN CB C 52 38.009 41.213 -3.204 1
1 557 . 16 1 1 A 52 52 ASN N N 52 118.415 117.195 1.220 1
1 559 . 16 1 1 A 53 53 GLY H H 53 8.367 7.594 0.773 1
1 560 . 16 1 1 A 53 53 GLY HA2 H 53 4.101 4.024 0.077 1
1 561 . 16 1 1 A 53 53 GLY HA3 H 53 3.808 4.024 -0.216 1
1 562 . 16 1 1 A 53 53 GLY C C 53 174.323 174.726 -0.403 1
1 563 . 16 1 1 A 53 53 GLY CA C 53 45.675 45.527 0.148 1
1 564 . 16 1 1 A 53 53 GLY N N 53 107.419 105.489 1.930 1
1 565 . 16 1 1 A 54 54 LEU H H 54 7.703 7.813 -0.110 1
1 566 . 16 1 1 A 54 54 LEU HA H 54 4.405 4.226 0.179 1
1 576 . 16 1 1 A 54 54 LEU C C 54 177.359 176.399 0.960 1
1 577 . 16 1 1 A 54 54 LEU CA C 54 55.162 55.779 -0.617 1
1 578 . 16 1 1 A 54 54 LEU CB C 54 42.742 42.889 -0.147 1
1 582 . 16 1 1 A 54 54 LEU N N 54 121.020 122.380 -1.360 1
1 583 . 16 1 1 A 55 55 GLY H H 55 8.265 8.543 -0.278 1
1 584 . 16 1 1 A 55 55 GLY HA2 H 55 4.112 4.232 -0.120 1
1 585 . 16 1 1 A 55 55 GLY HA3 H 55 4.112 4.242 -0.130 1
1 586 . 16 1 1 A 55 55 GLY C C 55 174.453 174.248 0.205 1
1 587 . 16 1 1 A 55 55 GLY CA C 55 45.438 45.531 -0.093 1
1 588 . 16 1 1 A 55 55 GLY N N 55 109.910 108.610 1.300 1
1 589 . 16 1 1 A 56 56 CYS H H 56 10.071 8.734 1.337 1
1 590 . 16 1 1 A 56 56 CYS HA H 56 4.928 4.491 0.437 1
1 593 . 16 1 1 A 56 56 CYS C C 56 177.993 175.016 2.977 1
1 594 . 16 1 1 A 56 56 CYS CA C 56 59.541 60.295 -0.754 1
1 595 . 16 1 1 A 56 56 CYS CB C 56 32.099 28.673 3.426 1
1 596 . 16 1 1 A 56 56 CYS N N 56 124.504 121.342 3.162 1
1 597 . 16 1 1 A 57 57 GLY H H 57 9.174 8.249 0.925 1
1 598 . 16 1 1 A 57 57 GLY HA2 H 57 4.313 4.031 0.282 1
1 599 . 16 1 1 A 57 57 GLY HA3 H 57 3.668 4.050 -0.382 1
1 600 . 16 1 1 A 57 57 GLY C C 57 173.686 173.666 0.020 1
1 601 . 16 1 1 A 57 57 GLY CA C 57 45.860 45.153 0.707 1
1 602 . 16 1 1 A 57 57 GLY N N 57 114.428 108.211 6.217 1
1 603 . 16 1 1 A 58 58 PHE H H 58 9.036 7.802 1.234 1
1 604 . 16 1 1 A 58 58 PHE HA H 58 4.623 4.830 -0.207 1
1 611 . 16 1 1 A 58 58 PHE C C 58 173.896 174.548 -0.652 1
1 612 . 16 1 1 A 58 58 PHE CA C 58 58.969 56.355 2.614 1
1 613 . 16 1 1 A 58 58 PHE CB C 58 41.132 41.547 -0.415 1
1 614 . 16 1 1 A 58 58 PHE N N 58 125.130 120.936 4.194 1
1 615 . 16 1 1 A 59 59 ALA H H 59 7.570 8.174 -0.604 1
1 616 . 16 1 1 A 59 59 ALA HA H 59 5.486 4.795 0.691 1
1 620 . 16 1 1 A 59 59 ALA C C 59 176.469 177.541 -1.072 1
1 621 . 16 1 1 A 59 59 ALA CA C 59 49.817 51.843 -2.026 1
1 622 . 16 1 1 A 59 59 ALA CB C 59 19.826 19.733 0.093 1
1 623 . 16 1 1 A 59 59 ALA N N 59 128.638 129.067 -0.429 1
1 624 . 16 1 1 A 60 60 PHE H H 60 9.387 8.710 0.677 1
1 625 . 16 1 1 A 60 60 PHE HA H 60 5.204 5.558 -0.354 1
1 632 . 16 1 1 A 60 60 PHE C C 60 172.955 172.518 0.437 1
1 633 . 16 1 1 A 60 60 PHE CA C 60 54.353 55.357 -1.004 1
1 634 . 16 1 1 A 60 60 PHE CB C 60 42.246 41.634 0.612 1
1 637 . 16 1 1 A 60 60 PHE N N 60 121.410 116.087 5.323 1
1 638 . 16 1 1 A 61 61 CYS H H 61 8.772 9.087 -0.315 1
1 639 . 16 1 1 A 61 61 CYS HA H 61 4.754 4.858 -0.104 1
1 642 . 16 1 1 A 61 61 CYS C C 61 177.353 175.078 2.275 1
1 643 . 16 1 1 A 61 61 CYS CA C 61 58.032 57.432 0.600 1
1 644 . 16 1 1 A 61 61 CYS CB C 61 32.242 30.209 2.033 1
1 645 . 16 1 1 A 61 61 CYS N N 61 120.610 120.371 0.239 1
1 646 . 16 1 1 A 62 62 ARG H H 62 9.535 8.635 0.900 1
1 647 . 16 1 1 A 62 62 ARG HA H 62 4.027 3.953 0.074 1
1 654 . 16 1 1 A 62 62 ARG C C 62 175.657 177.940 -2.283 1
1 655 . 16 1 1 A 62 62 ARG CA C 62 59.330 59.686 -0.356 1
1 656 . 16 1 1 A 62 62 ARG CB C 62 31.196 29.919 1.277 1
1 659 . 16 1 1 A 62 62 ARG N N 62 130.041 127.557 2.484 1
1 660 . 16 1 1 A 63 63 GLU H H 63 8.721 8.234 0.487 1
1 661 . 16 1 1 A 63 63 GLU HA H 63 4.394 4.030 0.364 1
1 666 . 16 1 1 A 63 63 GLU C C 63 177.341 177.790 -0.449 1
1 667 . 16 1 1 A 63 63 GLU CA C 63 58.404 59.457 -1.053 1
1 668 . 16 1 1 A 63 63 GLU CB C 63 30.501 29.356 1.145 1
1 670 . 16 1 1 A 63 63 GLU N N 63 118.534 119.370 -0.836 1
1 671 . 16 1 1 A 64 64 CYS H H 64 8.050 7.363 0.687 1
1 672 . 16 1 1 A 64 64 CYS HA H 64 4.962 4.566 0.396 1
1 675 . 16 1 1 A 64 64 CYS C C 64 176.019 175.387 0.632 1
1 676 . 16 1 1 A 64 64 CYS CA C 64 58.858 58.378 0.480 1
1 677 . 16 1 1 A 64 64 CYS CB C 64 32.103 27.845 4.258 1
1 678 . 16 1 1 A 64 64 CYS N N 64 116.495 114.574 1.921 1
1 679 . 16 1 1 A 65 65 LYS H H 65 8.489 8.205 0.284 1
1 680 . 16 1 1 A 65 65 LYS HA H 65 4.191 4.615 -0.424 1
1 687 . 16 1 1 A 65 65 LYS C C 65 174.742 175.503 -0.761 1
1 688 . 16 1 1 A 65 65 LYS CA C 65 58.883 57.276 1.607 1
1 689 . 16 1 1 A 65 65 LYS CB C 65 28.865 30.179 -1.314 1
1 693 . 16 1 1 A 65 65 LYS N N 65 117.320 120.467 -3.147 1
1 694 . 16 1 1 A 66 66 GLU H H 66 8.272 7.614 0.658 1
1 695 . 16 1 1 A 66 66 GLU HA H 66 4.721 4.831 -0.110 1
1 700 . 16 1 1 A 66 66 GLU C C 66 175.422 175.344 0.078 1
1 701 . 16 1 1 A 66 66 GLU CA C 66 55.285 54.367 0.918 1
1 702 . 16 1 1 A 66 66 GLU CB C 66 31.666 32.002 -0.336 1
1 704 . 16 1 1 A 66 66 GLU N N 66 117.719 117.140 0.579 1
1 705 . 16 1 1 A 67 67 ALA H H 67 8.766 8.523 0.243 1
1 706 . 16 1 1 A 67 67 ALA HA H 67 4.177 4.462 -0.285 1
1 710 . 16 1 1 A 67 67 ALA C C 67 177.459 177.138 0.321 1
1 711 . 16 1 1 A 67 67 ALA CA C 67 53.019 53.135 -0.116 1
1 712 . 16 1 1 A 67 67 ALA CB C 67 18.548 19.084 -0.536 1
1 713 . 16 1 1 A 67 67 ALA N N 67 120.597 123.565 -2.968 1
1 714 . 16 1 1 A 68 68 TYR H H 68 8.061 9.084 -1.023 1
1 715 . 16 1 1 A 68 68 TYR HA H 68 4.531 4.257 0.274 1
1 722 . 16 1 1 A 68 68 TYR CA C 68 58.242 59.677 -1.435 1
1 723 . 16 1 1 A 68 68 TYR CB C 68 38.531 39.294 -0.763 1
1 728 . 16 1 1 A 68 68 TYR N N 68 120.592 123.606 -3.014 1
1 729 . 16 1 1 A 69 69 HIS HA H 69 4.643 5.113 -0.470 1
1 734 . 16 1 1 A 69 69 HIS C C 69 173.158 174.499 -1.341 1
1 735 . 16 1 1 A 69 69 HIS CA C 69 51.310 55.228 -3.918 1
1 736 . 16 1 1 A 69 69 HIS CB C 69 32.038 29.480 2.558 1
1 739 . 16 1 1 A 70 70 GLU H H 70 8.796 8.101 0.695 1
1 740 . 16 1 1 A 70 70 GLU HA H 70 4.238 4.098 0.140 1
1 745 . 16 1 1 A 70 70 GLU C C 70 178.838 176.691 2.147 1
1 746 . 16 1 1 A 70 70 GLU CA C 70 55.450 57.635 -2.185 1
1 747 . 16 1 1 A 70 70 GLU CB C 70 30.527 28.173 2.354 1
1 749 . 16 1 1 A 70 70 GLU N N 70 120.194 114.713 5.481 1
1 750 . 16 1 1 A 71 71 GLY H H 71 8.876 8.460 0.416 1
1 751 . 16 1 1 A 71 71 GLY HA2 H 71 4.082 3.865 0.217 1
1 752 . 16 1 1 A 71 71 GLY HA3 H 71 3.910 3.895 0.015 1
1 753 . 16 1 1 A 71 71 GLY C C 71 173.634 173.587 0.047 1
1 754 . 16 1 1 A 71 71 GLY CA C 71 45.615 46.845 -1.230 1
1 755 . 16 1 1 A 71 71 GLY N N 71 111.118 104.540 6.578 1
1 756 . 16 1 1 A 72 72 GLU H H 72 8.391 7.664 0.727 1
1 757 . 16 1 1 A 72 72 GLU HA H 72 4.360 4.535 -0.175 1
1 762 . 16 1 1 A 72 72 GLU C C 72 177.319 174.983 2.336 1
1 763 . 16 1 1 A 72 72 GLU CA C 72 56.571 55.056 1.515 1
1 764 . 16 1 1 A 72 72 GLU CB C 72 30.411 32.558 -2.147 1
1 766 . 16 1 1 A 72 72 GLU N N 72 118.939 120.127 -1.188 1
1 767 . 16 1 1 A 73 73 CYS H H 73 8.574 8.523 0.051 1
1 768 . 16 1 1 A 73 73 CYS HA H 73 3.770 4.539 -0.769 1
1 771 . 16 1 1 A 73 73 CYS C C 73 176.052 175.928 0.124 1
1 772 . 16 1 1 A 73 73 CYS CA C 73 60.416 60.510 -0.094 1
1 773 . 16 1 1 A 73 73 CYS CB C 73 30.793 28.616 2.177 1
1 774 . 16 1 1 A 73 73 CYS N N 73 123.479 124.459 -0.980 1
1 775 . 16 1 1 A 74 74 SER H H 74 8.541 7.966 0.575 1
1 776 . 16 1 1 A 74 74 SER HA H 74 4.288 4.108 0.180 1
1 779 . 16 1 1 A 74 74 SER C C 74 174.140 174.572 -0.432 1
1 780 . 16 1 1 A 74 74 SER CA C 74 58.591 61.399 -2.808 1
1 781 . 16 1 1 A 74 74 SER CB C 74 63.626 63.028 0.598 1
1 782 . 16 1 1 A 74 74 SER N N 74 117.297 115.985 1.312 1
1 783 . 16 1 1 A 75 75 ALA H H 75 8.092 7.679 0.413 1
1 784 . 16 1 1 A 75 75 ALA HA H 75 4.312 4.613 -0.301 1
1 788 . 16 1 1 A 75 75 ALA C C 75 177.173 175.615 1.558 1
1 789 . 16 1 1 A 75 75 ALA CA C 75 52.403 50.546 1.857 1
1 790 . 16 1 1 A 75 75 ALA CB C 75 19.546 21.887 -2.341 1
1 791 . 16 1 1 A 75 75 ALA N N 75 125.952 122.878 3.074 1
1 792 . 16 1 1 A 76 76 VAL H H 76 7.934 8.385 -0.451 1
1 793 . 16 1 1 A 76 76 VAL HA H 76 4.028 4.823 -0.795 1
1 801 . 16 1 1 A 76 76 VAL C C 76 175.784 174.800 0.984 1
1 802 . 16 1 1 A 76 76 VAL CA C 76 62.265 60.895 1.370 1
1 803 . 16 1 1 A 76 76 VAL CB C 76 32.893 34.843 -1.950 1
1 806 . 16 1 1 A 76 76 VAL N N 76 118.959 120.650 -1.691 1
1 807 . 16 1 1 A 77 77 PHE H H 77 8.283 8.911 -0.628 1
1 808 . 16 1 1 A 77 77 PHE HA H 77 4.670 5.053 -0.383 1
1 813 . 16 1 1 A 77 77 PHE C C 77 175.335 176.190 -0.855 1
1 814 . 16 1 1 A 77 77 PHE CA C 77 57.588 56.577 1.011 1
1 815 . 16 1 1 A 77 77 PHE CB C 77 39.899 41.564 -1.665 1
1 818 . 16 1 1 A 77 77 PHE N N 77 124.298 126.412 -2.114 1
1 819 . 16 1 1 A 78 78 GLU H H 78 8.262 9.404 -1.142 1
1 820 . 16 1 1 A 78 78 GLU HA H 78 4.251 4.651 -0.400 1
1 825 . 16 1 1 A 78 78 GLU C C 78 175.451 177.236 -1.785 1
1 826 . 16 1 1 A 78 78 GLU CA C 78 56.179 56.594 -0.415 1
1 827 . 16 1 1 A 78 78 GLU CB C 78 30.676 29.702 0.974 1
1 829 . 16 1 1 A 78 78 GLU N N 78 123.482 123.610 -0.128 1
1 830 . 16 1 1 A 79 79 ALA H H 79 8.279 7.819 0.460 1
1 831 . 16 1 1 A 79 79 ALA HA H 79 4.341 4.459 -0.118 1
1 835 . 16 1 1 A 79 79 ALA C C 79 176.767 177.262 -0.495 1
1 836 . 16 1 1 A 79 79 ALA CA C 79 52.512 53.027 -0.515 1
1 837 . 16 1 1 A 79 79 ALA CB C 79 19.493 20.304 -0.811 1
1 838 . 16 1 1 A 79 79 ALA N N 79 126.363 122.503 3.860 1
1 6 . 17 1 1 A 2 2 HIS H H 2 7.929 7.858 0.071 1
1 9 . 17 1 1 A 2 2 HIS CB C 2 31.017 33.047 -2.030 1
1 12 . 17 1 1 A 2 2 HIS N N 2 118.946 119.012 -0.066 1
1 13 . 17 1 1 A 3 3 MET HA H 3 4.537 5.215 -0.678 1
1 16 . 17 1 1 A 3 3 MET C C 3 176.240 174.751 1.489 1
1 17 . 17 1 1 A 3 3 MET CA C 3 55.681 53.348 2.333 1
1 18 . 17 1 1 A 3 3 MET CB C 3 33.063 34.874 -1.811 1
1 20 . 17 1 1 A 4 4 GLY H H 4 8.155 8.850 -0.695 1
1 21 . 17 1 1 A 4 4 GLY HA2 H 4 4.031 4.104 -0.073 1
1 22 . 17 1 1 A 4 4 GLY HA3 H 4 4.031 4.167 -0.136 1
1 23 . 17 1 1 A 4 4 GLY C C 4 174.348 172.632 1.716 1
1 24 . 17 1 1 A 4 4 GLY CA C 4 45.418 44.062 1.356 1
1 25 . 17 1 1 A 4 4 GLY N N 4 108.673 108.948 -0.275 1
1 26 . 17 1 1 A 5 5 GLU H H 5 8.351 8.653 -0.302 1
1 27 . 17 1 1 A 5 5 GLU HA H 5 4.275 5.084 -0.809 1
1 32 . 17 1 1 A 5 5 GLU C C 5 177.037 176.597 0.440 1
1 33 . 17 1 1 A 5 5 GLU CA C 5 57.098 54.922 2.176 1
1 34 . 17 1 1 A 5 5 GLU CB C 5 30.282 32.400 -2.118 1
1 36 . 17 1 1 A 5 5 GLU N N 5 120.605 117.068 3.537 1
1 37 . 17 1 1 A 6 6 GLU H H 6 8.641 8.698 -0.057 1
1 38 . 17 1 1 A 6 6 GLU HA H 6 4.248 4.650 -0.402 1
1 43 . 17 1 1 A 6 6 GLU C C 6 176.799 176.283 0.516 1
1 44 . 17 1 1 A 6 6 GLU CA C 6 57.344 56.072 1.272 1
1 45 . 17 1 1 A 6 6 GLU CB C 6 29.842 29.964 -0.122 1
1 47 . 17 1 1 A 6 6 GLU N N 6 121.425 122.752 -1.327 1
1 48 . 17 1 1 A 7 7 GLN H H 7 8.304 7.581 0.723 1
1 53 . 17 1 1 A 7 7 GLN C C 7 175.537 174.924 0.613 1
1 54 . 17 1 1 A 7 7 GLN CA C 7 56.292 55.440 0.852 1
1 55 . 17 1 1 A 7 7 GLN CB C 7 29.164 29.411 -0.247 1
1 57 . 17 1 1 A 7 7 GLN N N 7 120.185 122.164 -1.979 1
1 59 . 17 1 1 A 8 8 TYR H H 8 8.221 8.497 -0.276 1
1 60 . 17 1 1 A 8 8 TYR HA H 8 4.606 5.129 -0.523 1
1 67 . 17 1 1 A 8 8 TYR C C 8 175.728 174.060 1.668 1
1 68 . 17 1 1 A 8 8 TYR CA C 8 58.138 55.743 2.395 1
1 69 . 17 1 1 A 8 8 TYR CB C 8 38.766 40.741 -1.975 1
1 70 . 17 1 1 A 8 8 TYR N N 8 120.918 121.794 -0.876 1
1 71 . 17 1 1 A 9 9 ASN H H 9 8.288 8.781 -0.493 1
1 72 . 17 1 1 A 9 9 ASN HA H 9 4.654 4.821 -0.167 1
1 77 . 17 1 1 A 9 9 ASN C C 9 175.439 175.784 -0.345 1
1 78 . 17 1 1 A 9 9 ASN CA C 9 53.435 54.114 -0.679 1
1 79 . 17 1 1 A 9 9 ASN CB C 9 38.790 38.716 0.074 1
1 80 . 17 1 1 A 9 9 ASN N N 9 120.180 118.952 1.228 1
1 82 . 17 1 1 A 10 10 ARG H H 10 8.128 8.945 -0.817 1
1 83 . 17 1 1 A 10 10 ARG HA H 10 4.171 5.035 -0.864 1
1 90 . 17 1 1 A 10 10 ARG C C 10 176.244 174.331 1.913 1
1 91 . 17 1 1 A 10 10 ARG CA C 10 57.023 54.278 2.745 1
1 92 . 17 1 1 A 10 10 ARG CB C 10 30.535 34.119 -3.584 1
1 95 . 17 1 1 A 10 10 ARG N N 10 121.014 121.041 -0.027 1
1 96 . 17 1 1 A 11 11 TYR H H 11 8.108 8.503 -0.395 1
1 97 . 17 1 1 A 11 11 TYR HA H 11 4.543 5.146 -0.603 1
1 104 . 17 1 1 A 11 11 TYR C C 11 175.929 173.924 2.005 1
1 105 . 17 1 1 A 11 11 TYR CA C 11 58.219 55.925 2.294 1
1 106 . 17 1 1 A 11 11 TYR CB C 11 38.365 40.315 -1.950 1
1 107 . 17 1 1 A 11 11 TYR N N 11 119.776 117.104 2.672 1
1 108 . 17 1 1 A 12 12 GLN H H 12 8.050 8.445 -0.395 1
1 109 . 17 1 1 A 12 12 GLN HA H 12 4.269 4.295 -0.026 1
1 116 . 17 1 1 A 12 12 GLN C C 12 175.917 176.063 -0.146 1
1 117 . 17 1 1 A 12 12 GLN CA C 12 56.240 56.789 -0.549 1
1 118 . 17 1 1 A 12 12 GLN CB C 12 29.463 28.924 0.539 1
1 120 . 17 1 1 A 12 12 GLN N N 12 120.992 119.905 1.087 1
1 122 . 17 1 1 A 13 13 GLN H H 13 8.065 8.423 -0.358 1
1 123 . 17 1 1 A 13 13 GLN HA H 13 4.202 4.933 -0.731 1
1 130 . 17 1 1 A 13 13 GLN C C 13 175.644 173.605 2.039 1
1 131 . 17 1 1 A 13 13 GLN CA C 13 56.242 54.300 1.942 1
1 132 . 17 1 1 A 13 13 GLN CB C 13 29.394 33.182 -3.788 1
1 134 . 17 1 1 A 13 13 GLN N N 13 120.539 123.546 -3.007 1
1 136 . 17 1 1 A 14 14 TYR H H 14 8.212 8.939 -0.727 1
1 137 . 17 1 1 A 14 14 TYR HA H 14 4.572 5.301 -0.729 1
1 144 . 17 1 1 A 14 14 TYR C C 14 176.382 174.269 2.113 1
1 145 . 17 1 1 A 14 14 TYR CA C 14 57.958 55.847 2.111 1
1 146 . 17 1 1 A 14 14 TYR CB C 14 38.983 40.979 -1.996 1
1 151 . 17 1 1 A 14 14 TYR N N 14 120.582 123.341 -2.759 1
1 152 . 17 1 1 A 15 15 GLY H H 15 8.405 8.681 -0.276 1
1 153 . 17 1 1 A 15 15 GLY HA2 H 15 3.933 3.996 -0.063 1
1 154 . 17 1 1 A 15 15 GLY HA3 H 15 3.933 4.043 -0.110 1
1 155 . 17 1 1 A 15 15 GLY C C 15 173.776 172.172 1.604 1
1 156 . 17 1 1 A 15 15 GLY CA C 15 45.407 44.780 0.627 1
1 157 . 17 1 1 A 15 15 GLY N N 15 110.724 113.195 -2.471 1
1 158 . 17 1 1 A 16 16 ALA H H 16 8.160 8.816 -0.656 1
1 159 . 17 1 1 A 16 16 ALA HA H 16 4.302 5.074 -0.772 1
1 163 . 17 1 1 A 16 16 ALA C C 16 178.147 175.541 2.606 1
1 164 . 17 1 1 A 16 16 ALA CA C 16 53.034 50.977 2.057 1
1 165 . 17 1 1 A 16 16 ALA CB C 16 19.392 22.845 -3.453 1
1 166 . 17 1 1 A 16 16 ALA N N 16 123.489 126.385 -2.896 1
1 167 . 17 1 1 A 17 17 GLU H H 17 8.612 8.766 -0.154 1
1 168 . 17 1 1 A 17 17 GLU HA H 17 4.169 4.837 -0.668 1
1 173 . 17 1 1 A 17 17 GLU C C 17 177.000 176.087 0.913 1
1 174 . 17 1 1 A 17 17 GLU CA C 17 57.837 54.673 3.164 1
1 175 . 17 1 1 A 17 17 GLU CB C 17 29.881 32.538 -2.657 1
1 177 . 17 1 1 A 17 17 GLU N N 17 119.373 122.511 -3.138 1
1 178 . 17 1 1 A 18 18 GLU H H 18 8.413 8.592 -0.179 1
1 179 . 17 1 1 A 18 18 GLU HA H 18 4.210 4.246 -0.036 1
1 184 . 17 1 1 A 18 18 GLU C C 18 177.015 175.869 1.146 1
1 185 . 17 1 1 A 18 18 GLU CA C 18 57.641 56.806 0.835 1
1 186 . 17 1 1 A 18 18 GLU CB C 18 29.980 29.781 0.199 1
1 188 . 17 1 1 A 18 18 GLU N N 18 120.184 124.325 -4.141 1
1 189 . 17 1 1 A 19 19 CYS H H 19 8.253 8.748 -0.495 1
1 190 . 17 1 1 A 19 19 CYS HA H 19 4.381 4.679 -0.298 1
1 193 . 17 1 1 A 19 19 CYS C C 19 175.552 175.288 0.264 1
1 194 . 17 1 1 A 19 19 CYS CA C 19 59.819 58.760 1.059 1
1 195 . 17 1 1 A 19 19 CYS CB C 19 27.554 29.383 -1.829 1
1 196 . 17 1 1 A 19 19 CYS N N 19 119.775 124.656 -4.881 1
1 197 . 17 1 1 A 20 20 VAL H H 20 8.051 8.865 -0.814 1
1 198 . 17 1 1 A 20 20 VAL HA H 20 3.939 3.798 0.141 1
1 206 . 17 1 1 A 20 20 VAL C C 20 173.904 175.119 -1.215 1
1 207 . 17 1 1 A 20 20 VAL CA C 20 64.113 63.199 0.914 1
1 208 . 17 1 1 A 20 20 VAL CB C 20 32.316 29.680 2.636 1
1 211 . 17 1 1 A 20 20 VAL N N 20 121.008 126.014 -5.006 1
1 212 . 17 1 1 A 21 21 LEU H H 21 8.190 7.818 0.372 1
1 213 . 17 1 1 A 21 21 LEU HA H 21 4.648 4.655 -0.007 1
1 222 . 17 1 1 A 21 21 LEU CA C 21 54.565 53.915 0.650 1
1 223 . 17 1 1 A 21 21 LEU CB C 21 41.542 43.293 -1.751 1
1 225 . 17 1 1 A 21 21 LEU N N 21 123.470 123.759 -0.289 1
1 226 . 17 1 1 A 22 22 GLN H H 22 8.322 8.628 -0.306 1
1 227 . 17 1 1 A 22 22 GLN HA H 22 4.046 4.392 -0.346 1
1 230 . 17 1 1 A 22 22 GLN C C 22 176.428 176.908 -0.480 1
1 231 . 17 1 1 A 22 22 GLN CA C 22 56.800 56.032 0.768 1
1 232 . 17 1 1 A 22 22 GLN CB C 22 29.116 29.772 -0.656 1
1 234 . 17 1 1 A 22 22 GLN N N 22 120.999 124.668 -3.669 1
1 236 . 17 1 1 A 23 23 MET H H 23 7.958 8.559 -0.601 1
1 237 . 17 1 1 A 23 23 MET HA H 23 4.487 4.581 -0.094 1
1 245 . 17 1 1 A 23 23 MET C C 23 176.558 176.720 -0.162 1
1 246 . 17 1 1 A 23 23 MET CA C 23 55.842 55.463 0.379 1
1 247 . 17 1 1 A 23 23 MET CB C 23 32.712 32.919 -0.207 1
1 250 . 17 1 1 A 23 23 MET N N 23 118.950 120.877 -1.927 1
1 251 . 17 1 1 A 24 24 GLY H H 24 8.549 7.745 0.804 1
1 252 . 17 1 1 A 24 24 GLY HA2 H 24 4.163 3.601 0.562 1
1 253 . 17 1 1 A 24 24 GLY HA3 H 24 3.919 3.608 0.311 1
1 254 . 17 1 1 A 24 24 GLY C C 24 174.799 175.701 -0.902 1
1 255 . 17 1 1 A 24 24 GLY CA C 24 45.547 46.820 -1.273 1
1 256 . 17 1 1 A 24 24 GLY N N 24 110.724 107.191 3.533 1
1 257 . 17 1 1 A 25 25 GLY H H 25 8.216 8.749 -0.533 1
1 258 . 17 1 1 A 25 25 GLY HA2 H 25 4.455 4.083 0.372 1
1 259 . 17 1 1 A 25 25 GLY HA3 H 25 3.921 4.087 -0.166 1
1 260 . 17 1 1 A 25 25 GLY C C 25 172.658 174.276 -1.618 1
1 261 . 17 1 1 A 25 25 GLY CA C 25 45.087 45.771 -0.684 1
1 262 . 17 1 1 A 25 25 GLY N N 25 107.443 114.771 -7.328 1
1 263 . 17 1 1 A 26 26 VAL H H 26 8.726 7.773 0.953 1
1 264 . 17 1 1 A 26 26 VAL HA H 26 4.533 4.711 -0.178 1
1 272 . 17 1 1 A 26 26 VAL C C 26 172.923 174.590 -1.667 1
1 273 . 17 1 1 A 26 26 VAL CA C 26 59.864 59.963 -0.099 1
1 274 . 17 1 1 A 26 26 VAL CB C 26 35.551 34.818 0.733 1
1 277 . 17 1 1 A 26 26 VAL N N 26 116.467 120.661 -4.194 1
1 278 . 17 1 1 A 27 27 LEU H H 27 8.201 8.728 -0.527 1
1 279 . 17 1 1 A 27 27 LEU HA H 27 5.057 5.007 0.050 1
1 289 . 17 1 1 A 27 27 LEU C C 27 176.746 175.144 1.602 1
1 290 . 17 1 1 A 27 27 LEU CA C 27 53.134 53.578 -0.444 1
1 291 . 17 1 1 A 27 27 LEU CB C 27 42.926 45.672 -2.746 1
1 294 . 17 1 1 A 27 27 LEU N N 27 124.428 124.186 0.242 1
1 295 . 17 1 1 A 28 28 CYS H H 28 8.902 9.142 -0.240 1
1 296 . 17 1 1 A 28 28 CYS HA H 28 4.158 4.390 -0.232 1
1 299 . 17 1 1 A 28 28 CYS CA C 28 57.728 57.505 0.223 1
1 300 . 17 1 1 A 28 28 CYS CB C 28 32.175 28.650 3.525 1
1 301 . 17 1 1 A 28 28 CYS N N 28 127.173 120.341 6.832 1
1 302 . 17 1 1 A 29 29 PRO HA H 29 4.410 4.412 -0.002 1
1 309 . 17 1 1 A 29 29 PRO C C 29 177.459 176.337 1.122 1
1 310 . 17 1 1 A 29 29 PRO CA C 29 62.872 64.390 -1.518 1
1 311 . 17 1 1 A 29 29 PRO CB C 29 32.813 31.886 0.927 1
1 314 . 17 1 1 A 30 30 ARG H H 30 9.132 7.646 1.486 1
1 315 . 17 1 1 A 30 30 ARG HA H 30 4.087 4.394 -0.307 1
1 322 . 17 1 1 A 30 30 ARG CA C 30 55.102 55.015 0.087 1
1 323 . 17 1 1 A 30 30 ARG CB C 30 29.469 29.856 -0.387 1
1 326 . 17 1 1 A 30 30 ARG N N 30 127.589 120.401 7.188 1
1 327 . 17 1 1 A 31 31 PRO HA H 31 4.242 4.431 -0.189 1
1 334 . 17 1 1 A 31 31 PRO C C 31 177.828 177.405 0.423 1
1 335 . 17 1 1 A 31 31 PRO CA C 31 64.202 62.943 1.259 1
1 336 . 17 1 1 A 31 31 PRO CB C 31 31.518 29.798 1.720 1
1 339 . 17 1 1 A 32 32 GLY H H 32 8.773 8.545 0.228 1
1 340 . 17 1 1 A 32 32 GLY HA2 H 32 4.065 3.953 0.112 1
1 341 . 17 1 1 A 32 32 GLY HA3 H 32 3.706 3.954 -0.248 1
1 342 . 17 1 1 A 32 32 GLY C C 32 173.340 174.765 -1.425 1
1 343 . 17 1 1 A 32 32 GLY CA C 32 45.272 45.292 -0.020 1
1 344 . 17 1 1 A 32 32 GLY N N 32 111.942 112.701 -0.759 1
1 345 . 17 1 1 A 33 33 CYS H H 33 7.749 8.217 -0.468 1
1 346 . 17 1 1 A 33 33 CYS HA H 33 4.528 4.103 0.425 1
1 349 . 17 1 1 A 33 33 CYS CA C 33 60.515 62.016 -1.501 1
1 350 . 17 1 1 A 33 33 CYS CB C 33 29.641 27.635 2.006 1
1 351 . 17 1 1 A 33 33 CYS N N 33 123.343 120.946 2.397 1
1 352 . 17 1 1 A 34 34 GLY H H 34 8.351 7.928 0.423 1
1 353 . 17 1 1 A 34 34 GLY HA2 H 34 4.120 3.955 0.165 1
1 354 . 17 1 1 A 34 34 GLY HA3 H 34 3.911 3.963 -0.052 1
1 355 . 17 1 1 A 34 34 GLY C C 34 173.849 174.819 -0.970 1
1 356 . 17 1 1 A 34 34 GLY CA C 34 46.225 45.207 1.018 1
1 357 . 17 1 1 A 34 34 GLY N N 34 106.570 108.761 -2.191 1
1 358 . 17 1 1 A 35 35 ALA H H 35 8.591 8.483 0.108 1
1 359 . 17 1 1 A 35 35 ALA HA H 35 4.091 4.067 0.024 1
1 363 . 17 1 1 A 35 35 ALA C C 35 176.818 177.087 -0.269 1
1 364 . 17 1 1 A 35 35 ALA CA C 35 53.757 53.059 0.698 1
1 365 . 17 1 1 A 35 35 ALA CB C 35 20.271 17.482 2.789 1
1 366 . 17 1 1 A 35 35 ALA N N 35 125.109 123.983 1.126 1
1 367 . 17 1 1 A 36 36 GLY H H 36 8.348 8.170 0.178 1
1 368 . 17 1 1 A 36 36 GLY HA2 H 36 4.412 3.891 0.521 1
1 369 . 17 1 1 A 36 36 GLY HA3 H 36 3.479 3.899 -0.420 1
1 370 . 17 1 1 A 36 36 GLY C C 36 177.324 173.582 3.742 1
1 371 . 17 1 1 A 36 36 GLY CA C 36 45.847 47.079 -1.232 1
1 372 . 17 1 1 A 36 36 GLY N N 36 106.607 105.377 1.230 1
1 373 . 17 1 1 A 37 37 LEU H H 37 8.190 8.333 -0.143 1
1 374 . 17 1 1 A 37 37 LEU HA H 37 4.753 5.352 -0.599 1
1 384 . 17 1 1 A 37 37 LEU C C 37 177.064 175.349 1.715 1
1 385 . 17 1 1 A 37 37 LEU CB C 37 44.730 45.404 -0.674 1
1 389 . 17 1 1 A 37 37 LEU N N 37 123.541 118.692 4.849 1
1 390 . 17 1 1 A 38 38 LEU H H 38 8.210 8.467 -0.257 1
1 391 . 17 1 1 A 38 38 LEU HA H 38 4.981 4.856 0.125 1
1 401 . 17 1 1 A 38 38 LEU CA C 38 51.755 51.908 -0.153 1
1 402 . 17 1 1 A 38 38 LEU CB C 38 42.309 43.337 -1.028 1
1 405 . 17 1 1 A 38 38 LEU N N 38 124.280 121.568 2.712 1
1 406 . 17 1 1 A 39 39 PRO HA H 39 4.600 4.436 0.164 1
1 413 . 17 1 1 A 39 39 PRO C C 39 176.647 176.858 -0.211 1
1 414 . 17 1 1 A 39 39 PRO CA C 39 62.130 62.644 -0.514 1
1 415 . 17 1 1 A 39 39 PRO CB C 39 32.686 31.948 0.738 1
1 418 . 17 1 1 A 40 40 GLU H H 40 8.631 8.540 0.091 1
1 419 . 17 1 1 A 40 40 GLU HA H 40 4.485 4.322 0.163 1
1 424 . 17 1 1 A 40 40 GLU CA C 40 55.067 55.196 -0.129 1
1 425 . 17 1 1 A 40 40 GLU CB C 40 29.310 29.448 -0.138 1
1 426 . 17 1 1 A 40 40 GLU N N 40 122.240 121.045 1.195 1
1 427 . 17 1 1 A 41 41 PRO HA H 41 3.869 4.423 -0.554 1
1 434 . 17 1 1 A 41 41 PRO C C 41 176.908 176.094 0.814 1
1 435 . 17 1 1 A 41 41 PRO CA C 41 64.772 63.924 0.848 1
1 436 . 17 1 1 A 41 41 PRO CB C 41 32.172 31.391 0.781 1
1 439 . 17 1 1 A 42 42 ASP H H 42 8.486 7.902 0.584 1
1 440 . 17 1 1 A 42 42 ASP HA H 42 4.456 4.874 -0.418 1
1 443 . 17 1 1 A 42 42 ASP C C 42 175.265 176.271 -1.006 1
1 444 . 17 1 1 A 42 42 ASP CA C 42 54.480 53.149 1.331 1
1 445 . 17 1 1 A 42 42 ASP CB C 42 40.139 42.978 -2.839 1
1 446 . 17 1 1 A 42 42 ASP N N 42 114.895 120.279 -5.384 1
1 447 . 17 1 1 A 43 43 GLN H H 43 7.280 9.007 -1.727 1
1 448 . 17 1 1 A 43 43 GLN HA H 43 4.420 4.027 0.393 1
1 455 . 17 1 1 A 43 43 GLN CA C 43 54.877 57.945 -3.068 1
1 456 . 17 1 1 A 43 43 GLN CB C 43 30.219 27.986 2.233 1
1 458 . 17 1 1 A 43 43 GLN N N 43 118.523 124.272 -5.749 1
1 460 . 17 1 1 A 44 44 ARG H H 44 8.207 7.691 0.516 1
1 461 . 17 1 1 A 44 44 ARG HA H 44 4.206 4.066 0.140 1
1 468 . 17 1 1 A 44 44 ARG C C 44 175.581 176.941 -1.360 1
1 469 . 17 1 1 A 44 44 ARG CA C 44 58.285 58.875 -0.590 1
1 470 . 17 1 1 A 44 44 ARG CB C 44 32.175 30.114 2.061 1
1 473 . 17 1 1 A 44 44 ARG N N 44 120.127 118.544 1.583 1
1 474 . 17 1 1 A 45 45 LYS H H 45 7.909 7.725 0.184 1
1 475 . 17 1 1 A 45 45 LYS HA H 45 3.985 4.698 -0.713 1
1 484 . 17 1 1 A 45 45 LYS C C 45 174.753 174.038 0.715 1
1 485 . 17 1 1 A 45 45 LYS CA C 45 56.378 55.576 0.802 1
1 486 . 17 1 1 A 45 45 LYS CB C 45 32.190 35.017 -2.827 1
1 490 . 17 1 1 A 45 45 LYS N N 45 118.935 118.335 0.600 1
1 491 . 17 1 1 A 46 46 VAL H H 46 8.574 8.957 -0.383 1
1 492 . 17 1 1 A 46 46 VAL HA H 46 3.870 4.718 -0.848 1
1 500 . 17 1 1 A 46 46 VAL C C 46 173.589 174.593 -1.004 1
1 501 . 17 1 1 A 46 46 VAL CA C 46 60.777 60.906 -0.129 1
1 502 . 17 1 1 A 46 46 VAL CB C 46 32.263 33.325 -1.062 1
1 505 . 17 1 1 A 46 46 VAL N N 46 130.468 126.766 3.702 1
1 506 . 17 1 1 A 47 47 THR H H 47 8.098 8.821 -0.723 1
1 507 . 17 1 1 A 47 47 THR HA H 47 4.864 4.781 0.083 1
1 512 . 17 1 1 A 47 47 THR C C 47 173.666 175.192 -1.526 1
1 513 . 17 1 1 A 47 47 THR CA C 47 61.070 61.719 -0.649 1
1 514 . 17 1 1 A 47 47 THR CB C 47 69.693 70.085 -0.392 1
1 516 . 17 1 1 A 47 47 THR N N 47 120.392 122.161 -1.769 1
1 517 . 17 1 1 A 48 48 CYS H H 48 8.928 9.070 -0.142 1
1 518 . 17 1 1 A 48 48 CYS HA H 48 4.581 4.605 -0.024 1
1 521 . 17 1 1 A 48 48 CYS C C 48 174.212 174.684 -0.472 1
1 522 . 17 1 1 A 48 48 CYS CA C 48 59.848 61.597 -1.749 1
1 523 . 17 1 1 A 48 48 CYS CB C 48 29.425 27.617 1.808 1
1 524 . 17 1 1 A 48 48 CYS N N 48 130.472 125.941 4.531 1
1 525 . 17 1 1 A 49 49 GLU H H 49 7.552 7.996 -0.444 1
1 526 . 17 1 1 A 49 49 GLU HA H 49 4.647 4.503 0.144 1
1 531 . 17 1 1 A 49 49 GLU C C 49 175.297 175.993 -0.696 1
1 532 . 17 1 1 A 49 49 GLU CA C 49 55.852 56.763 -0.911 1
1 533 . 17 1 1 A 49 49 GLU CB C 49 31.404 30.803 0.601 1
1 535 . 17 1 1 A 49 49 GLU N N 49 128.705 120.956 7.749 1
1 536 . 17 1 1 A 50 50 GLY H H 50 8.459 8.330 0.129 1
1 537 . 17 1 1 A 50 50 GLY HA2 H 50 4.128 4.072 0.056 1
1 538 . 17 1 1 A 50 50 GLY HA3 H 50 3.916 4.079 -0.163 1
1 539 . 17 1 1 A 50 50 GLY C C 50 174.247 173.627 0.620 1
1 540 . 17 1 1 A 50 50 GLY CA C 50 45.243 46.095 -0.852 1
1 541 . 17 1 1 A 50 50 GLY N N 50 109.953 111.764 -1.811 1
1 542 . 17 1 1 A 51 51 GLY H H 51 8.548 8.135 0.413 1
1 543 . 17 1 1 A 51 51 GLY HA2 H 51 3.991 4.025 -0.034 1
1 544 . 17 1 1 A 51 51 GLY HA3 H 51 3.991 4.027 -0.036 1
1 545 . 17 1 1 A 51 51 GLY C C 51 174.381 173.584 0.797 1
1 546 . 17 1 1 A 51 51 GLY CA C 51 45.714 44.167 1.547 1
1 547 . 17 1 1 A 51 51 GLY N N 51 109.074 108.248 0.826 1
1 548 . 17 1 1 A 52 52 ASN H H 52 8.740 8.522 0.218 1
1 549 . 17 1 1 A 52 52 ASN HA H 52 4.566 4.619 -0.053 1
1 554 . 17 1 1 A 52 52 ASN C C 52 175.686 176.243 -0.557 1
1 555 . 17 1 1 A 52 52 ASN CA C 52 53.618 54.527 -0.909 1
1 556 . 17 1 1 A 52 52 ASN CB C 52 38.009 38.947 -0.938 1
1 557 . 17 1 1 A 52 52 ASN N N 52 118.415 118.554 -0.139 1
1 559 . 17 1 1 A 53 53 GLY H H 53 8.367 8.760 -0.393 1
1 560 . 17 1 1 A 53 53 GLY HA2 H 53 4.101 3.991 0.110 1
1 561 . 17 1 1 A 53 53 GLY HA3 H 53 3.808 3.991 -0.183 1
1 562 . 17 1 1 A 53 53 GLY C C 53 174.323 173.868 0.455 1
1 563 . 17 1 1 A 53 53 GLY CA C 53 45.675 45.422 0.253 1
1 564 . 17 1 1 A 53 53 GLY N N 53 107.419 111.038 -3.619 1
1 565 . 17 1 1 A 54 54 LEU H H 54 7.703 8.235 -0.532 1
1 566 . 17 1 1 A 54 54 LEU HA H 54 4.405 4.463 -0.058 1
1 576 . 17 1 1 A 54 54 LEU C C 54 177.359 176.859 0.500 1
1 577 . 17 1 1 A 54 54 LEU CA C 54 55.162 54.369 0.793 1
1 578 . 17 1 1 A 54 54 LEU CB C 54 42.742 42.556 0.186 1
1 582 . 17 1 1 A 54 54 LEU N N 54 121.020 122.065 -1.045 1
1 583 . 17 1 1 A 55 55 GLY H H 55 8.265 8.396 -0.131 1
1 584 . 17 1 1 A 55 55 GLY HA2 H 55 4.112 4.183 -0.071 1
1 585 . 17 1 1 A 55 55 GLY HA3 H 55 4.112 4.194 -0.082 1
1 586 . 17 1 1 A 55 55 GLY C C 55 174.453 174.337 0.116 1
1 587 . 17 1 1 A 55 55 GLY CA C 55 45.438 45.765 -0.327 1
1 588 . 17 1 1 A 55 55 GLY N N 55 109.910 110.438 -0.528 1
1 589 . 17 1 1 A 56 56 CYS H H 56 10.071 8.760 1.311 1
1 590 . 17 1 1 A 56 56 CYS HA H 56 4.928 4.573 0.355 1
1 593 . 17 1 1 A 56 56 CYS C C 56 177.993 175.159 2.834 1
1 594 . 17 1 1 A 56 56 CYS CA C 56 59.541 59.885 -0.344 1
1 595 . 17 1 1 A 56 56 CYS CB C 56 32.099 29.005 3.094 1
1 596 . 17 1 1 A 56 56 CYS N N 56 124.504 122.790 1.714 1
1 597 . 17 1 1 A 57 57 GLY H H 57 9.174 8.191 0.983 1
1 598 . 17 1 1 A 57 57 GLY HA2 H 57 4.313 4.020 0.293 1
1 599 . 17 1 1 A 57 57 GLY HA3 H 57 3.668 4.039 -0.371 1
1 600 . 17 1 1 A 57 57 GLY C C 57 173.686 173.806 -0.120 1
1 601 . 17 1 1 A 57 57 GLY CA C 57 45.860 45.265 0.595 1
1 602 . 17 1 1 A 57 57 GLY N N 57 114.428 108.929 5.499 1
1 603 . 17 1 1 A 58 58 PHE H H 58 9.036 7.936 1.100 1
1 604 . 17 1 1 A 58 58 PHE HA H 58 4.623 4.865 -0.242 1
1 611 . 17 1 1 A 58 58 PHE C C 58 173.896 174.809 -0.913 1
1 612 . 17 1 1 A 58 58 PHE CA C 58 58.969 56.208 2.761 1
1 613 . 17 1 1 A 58 58 PHE CB C 58 41.132 40.852 0.280 1
1 614 . 17 1 1 A 58 58 PHE N N 58 125.130 121.675 3.455 1
1 615 . 17 1 1 A 59 59 ALA H H 59 7.570 8.280 -0.710 1
1 616 . 17 1 1 A 59 59 ALA HA H 59 5.486 4.920 0.566 1
1 620 . 17 1 1 A 59 59 ALA C C 59 176.469 177.580 -1.111 1
1 621 . 17 1 1 A 59 59 ALA CA C 59 49.817 52.276 -2.459 1
1 622 . 17 1 1 A 59 59 ALA CB C 59 19.826 19.629 0.197 1
1 623 . 17 1 1 A 59 59 ALA N N 59 128.638 129.440 -0.802 1
1 624 . 17 1 1 A 60 60 PHE H H 60 9.387 8.822 0.565 1
1 625 . 17 1 1 A 60 60 PHE HA H 60 5.204 5.636 -0.432 1
1 632 . 17 1 1 A 60 60 PHE C C 60 172.955 172.402 0.553 1
1 633 . 17 1 1 A 60 60 PHE CA C 60 54.353 55.258 -0.905 1
1 634 . 17 1 1 A 60 60 PHE CB C 60 42.246 41.698 0.548 1
1 637 . 17 1 1 A 60 60 PHE N N 60 121.410 115.574 5.836 1
1 638 . 17 1 1 A 61 61 CYS H H 61 8.772 9.036 -0.264 1
1 639 . 17 1 1 A 61 61 CYS HA H 61 4.754 4.619 0.135 1
1 642 . 17 1 1 A 61 61 CYS C C 61 177.353 175.108 2.245 1
1 643 . 17 1 1 A 61 61 CYS CA C 61 58.032 57.507 0.525 1
1 644 . 17 1 1 A 61 61 CYS CB C 61 32.242 29.735 2.507 1
1 645 . 17 1 1 A 61 61 CYS N N 61 120.610 120.584 0.026 1
1 646 . 17 1 1 A 62 62 ARG H H 62 9.535 8.569 0.966 1
1 647 . 17 1 1 A 62 62 ARG HA H 62 4.027 4.033 -0.006 1
1 654 . 17 1 1 A 62 62 ARG C C 62 175.657 177.712 -2.055 1
1 655 . 17 1 1 A 62 62 ARG CA C 62 59.330 58.991 0.339 1
1 656 . 17 1 1 A 62 62 ARG CB C 62 31.196 29.979 1.217 1
1 659 . 17 1 1 A 62 62 ARG N N 62 130.041 128.061 1.980 1
1 660 . 17 1 1 A 63 63 GLU H H 63 8.721 8.029 0.692 1
1 661 . 17 1 1 A 63 63 GLU HA H 63 4.394 4.090 0.304 1
1 666 . 17 1 1 A 63 63 GLU C C 63 177.341 178.151 -0.810 1
1 667 . 17 1 1 A 63 63 GLU CA C 63 58.404 59.395 -0.991 1
1 668 . 17 1 1 A 63 63 GLU CB C 63 30.501 29.407 1.094 1
1 670 . 17 1 1 A 63 63 GLU N N 63 118.534 119.219 -0.685 1
1 671 . 17 1 1 A 64 64 CYS H H 64 8.050 7.866 0.184 1
1 672 . 17 1 1 A 64 64 CYS HA H 64 4.962 4.612 0.350 1
1 675 . 17 1 1 A 64 64 CYS C C 64 176.019 175.494 0.525 1
1 676 . 17 1 1 A 64 64 CYS CA C 64 58.858 58.208 0.650 1
1 677 . 17 1 1 A 64 64 CYS CB C 64 32.103 27.750 4.353 1
1 678 . 17 1 1 A 64 64 CYS N N 64 116.495 115.120 1.375 1
1 679 . 17 1 1 A 65 65 LYS H H 65 8.489 8.119 0.370 1
1 680 . 17 1 1 A 65 65 LYS HA H 65 4.191 4.632 -0.441 1
1 687 . 17 1 1 A 65 65 LYS C C 65 174.742 175.445 -0.703 1
1 688 . 17 1 1 A 65 65 LYS CA C 65 58.883 57.319 1.564 1
1 689 . 17 1 1 A 65 65 LYS CB C 65 28.865 30.210 -1.345 1
1 693 . 17 1 1 A 65 65 LYS N N 65 117.320 120.510 -3.190 1
1 694 . 17 1 1 A 66 66 GLU H H 66 8.272 7.531 0.741 1
1 695 . 17 1 1 A 66 66 GLU HA H 66 4.721 4.986 -0.265 1
1 700 . 17 1 1 A 66 66 GLU C C 66 175.422 175.938 -0.516 1
1 701 . 17 1 1 A 66 66 GLU CA C 66 55.285 54.419 0.866 1
1 702 . 17 1 1 A 66 66 GLU CB C 66 31.666 33.017 -1.351 1
1 704 . 17 1 1 A 66 66 GLU N N 66 117.719 119.423 -1.704 1
1 705 . 17 1 1 A 67 67 ALA H H 67 8.766 8.508 0.258 1
1 706 . 17 1 1 A 67 67 ALA HA H 67 4.177 4.547 -0.370 1
1 710 . 17 1 1 A 67 67 ALA C C 67 177.459 177.077 0.382 1
1 711 . 17 1 1 A 67 67 ALA CA C 67 53.019 53.220 -0.201 1
1 712 . 17 1 1 A 67 67 ALA CB C 67 18.548 19.016 -0.468 1
1 713 . 17 1 1 A 67 67 ALA N N 67 120.597 124.677 -4.080 1
1 714 . 17 1 1 A 68 68 TYR H H 68 8.061 9.177 -1.116 1
1 715 . 17 1 1 A 68 68 TYR HA H 68 4.531 4.301 0.230 1
1 722 . 17 1 1 A 68 68 TYR CA C 68 58.242 58.298 -0.056 1
1 723 . 17 1 1 A 68 68 TYR CB C 68 38.531 38.906 -0.375 1
1 728 . 17 1 1 A 68 68 TYR N N 68 120.592 123.769 -3.177 1
1 729 . 17 1 1 A 69 69 HIS HA H 69 4.643 4.520 0.123 1
1 734 . 17 1 1 A 69 69 HIS C C 69 173.158 175.581 -2.423 1
1 735 . 17 1 1 A 69 69 HIS CA C 69 51.310 58.319 -7.009 1
1 736 . 17 1 1 A 69 69 HIS CB C 69 32.038 30.833 1.205 1
1 739 . 17 1 1 A 70 70 GLU H H 70 8.796 7.617 1.179 1
1 740 . 17 1 1 A 70 70 GLU HA H 70 4.238 4.064 0.174 1
1 745 . 17 1 1 A 70 70 GLU C C 70 178.838 176.219 2.619 1
1 746 . 17 1 1 A 70 70 GLU CA C 70 55.450 57.585 -2.135 1
1 747 . 17 1 1 A 70 70 GLU CB C 70 30.527 27.419 3.108 1
1 749 . 17 1 1 A 70 70 GLU N N 70 120.194 115.253 4.941 1
1 750 . 17 1 1 A 71 71 GLY H H 71 8.876 8.149 0.727 1
1 751 . 17 1 1 A 71 71 GLY HA2 H 71 4.082 4.133 -0.051 1
1 752 . 17 1 1 A 71 71 GLY HA3 H 71 3.910 4.151 -0.241 1
1 753 . 17 1 1 A 71 71 GLY C C 71 173.634 173.710 -0.076 1
1 754 . 17 1 1 A 71 71 GLY CA C 71 45.615 46.118 -0.503 1
1 755 . 17 1 1 A 71 71 GLY N N 71 111.118 105.724 5.394 1
1 756 . 17 1 1 A 72 72 GLU H H 72 8.391 7.538 0.853 1
1 757 . 17 1 1 A 72 72 GLU HA H 72 4.360 4.630 -0.270 1
1 762 . 17 1 1 A 72 72 GLU C C 72 177.319 175.663 1.656 1
1 763 . 17 1 1 A 72 72 GLU CA C 72 56.571 56.033 0.538 1
1 764 . 17 1 1 A 72 72 GLU CB C 72 30.411 33.176 -2.765 1
1 766 . 17 1 1 A 72 72 GLU N N 72 118.939 116.575 2.364 1
1 767 . 17 1 1 A 73 73 CYS H H 73 8.574 8.768 -0.194 1
1 768 . 17 1 1 A 73 73 CYS HA H 73 3.770 3.678 0.092 1
1 771 . 17 1 1 A 73 73 CYS C C 73 176.052 176.782 -0.730 1
1 772 . 17 1 1 A 73 73 CYS CA C 73 60.416 62.270 -1.854 1
1 773 . 17 1 1 A 73 73 CYS CB C 73 30.793 27.135 3.658 1
1 774 . 17 1 1 A 73 73 CYS N N 73 123.479 122.200 1.279 1
1 775 . 17 1 1 A 74 74 SER H H 74 8.541 7.702 0.839 1
1 776 . 17 1 1 A 74 74 SER HA H 74 4.288 4.328 -0.040 1
1 779 . 17 1 1 A 74 74 SER C C 74 174.140 174.747 -0.607 1
1 780 . 17 1 1 A 74 74 SER CA C 74 58.591 59.783 -1.192 1
1 781 . 17 1 1 A 74 74 SER CB C 74 63.626 64.463 -0.837 1
1 782 . 17 1 1 A 74 74 SER N N 74 117.297 113.164 4.133 1
1 783 . 17 1 1 A 75 75 ALA H H 75 8.092 7.764 0.328 1
1 784 . 17 1 1 A 75 75 ALA HA H 75 4.312 3.866 0.446 1
1 788 . 17 1 1 A 75 75 ALA C C 75 177.173 176.611 0.562 1
1 789 . 17 1 1 A 75 75 ALA CA C 75 52.403 52.962 -0.559 1
1 790 . 17 1 1 A 75 75 ALA CB C 75 19.546 17.053 2.493 1
1 791 . 17 1 1 A 75 75 ALA N N 75 125.952 120.963 4.989 1
1 792 . 17 1 1 A 76 76 VAL H H 76 7.934 7.786 0.148 1
1 793 . 17 1 1 A 76 76 VAL HA H 76 4.028 4.054 -0.026 1
1 801 . 17 1 1 A 76 76 VAL C C 76 175.784 175.727 0.057 1
1 802 . 17 1 1 A 76 76 VAL CA C 76 62.265 62.559 -0.294 1
1 803 . 17 1 1 A 76 76 VAL CB C 76 32.893 32.657 0.236 1
1 806 . 17 1 1 A 76 76 VAL N N 76 118.959 116.874 2.085 1
1 807 . 17 1 1 A 77 77 PHE H H 77 8.283 9.096 -0.813 1
1 808 . 17 1 1 A 77 77 PHE HA H 77 4.670 5.120 -0.450 1
1 813 . 17 1 1 A 77 77 PHE C C 77 175.335 175.090 0.245 1
1 814 . 17 1 1 A 77 77 PHE CA C 77 57.588 56.816 0.772 1
1 815 . 17 1 1 A 77 77 PHE CB C 77 39.899 42.052 -2.153 1
1 818 . 17 1 1 A 77 77 PHE N N 77 124.298 123.040 1.258 1
1 819 . 17 1 1 A 78 78 GLU H H 78 8.262 9.016 -0.754 1
1 820 . 17 1 1 A 78 78 GLU HA H 78 4.251 4.943 -0.692 1
1 825 . 17 1 1 A 78 78 GLU C C 78 175.451 175.793 -0.342 1
1 826 . 17 1 1 A 78 78 GLU CA C 78 56.179 55.059 1.120 1
1 827 . 17 1 1 A 78 78 GLU CB C 78 30.676 33.699 -3.023 1
1 829 . 17 1 1 A 78 78 GLU N N 78 123.482 119.932 3.550 1
1 830 . 17 1 1 A 79 79 ALA H H 79 8.279 8.822 -0.543 1
1 831 . 17 1 1 A 79 79 ALA HA H 79 4.341 4.680 -0.339 1
1 835 . 17 1 1 A 79 79 ALA C C 79 176.767 177.320 -0.553 1
1 836 . 17 1 1 A 79 79 ALA CA C 79 52.512 51.880 0.632 1
1 837 . 17 1 1 A 79 79 ALA CB C 79 19.493 19.214 0.279 1
1 838 . 17 1 1 A 79 79 ALA N N 79 126.363 127.070 -0.707 1
1 6 . 18 1 1 A 2 2 HIS H H 2 7.929 8.748 -0.819 1
1 9 . 18 1 1 A 2 2 HIS CB C 2 31.017 30.178 0.839 1
1 12 . 18 1 1 A 2 2 HIS N N 2 118.946 123.625 -4.679 1
1 13 . 18 1 1 A 3 3 MET HA H 3 4.537 4.418 0.119 1
1 16 . 18 1 1 A 3 3 MET C C 3 176.240 176.317 -0.077 1
1 17 . 18 1 1 A 3 3 MET CA C 3 55.681 56.192 -0.511 1
1 18 . 18 1 1 A 3 3 MET CB C 3 33.063 33.912 -0.849 1
1 20 . 18 1 1 A 4 4 GLY H H 4 8.155 8.524 -0.369 1
1 21 . 18 1 1 A 4 4 GLY HA2 H 4 4.031 4.146 -0.115 1
1 22 . 18 1 1 A 4 4 GLY HA3 H 4 4.031 4.159 -0.128 1
1 23 . 18 1 1 A 4 4 GLY C C 4 174.348 172.275 2.073 1
1 24 . 18 1 1 A 4 4 GLY CA C 4 45.418 43.981 1.437 1
1 25 . 18 1 1 A 4 4 GLY N N 4 108.673 108.733 -0.060 1
1 26 . 18 1 1 A 5 5 GLU H H 5 8.351 8.371 -0.020 1
1 27 . 18 1 1 A 5 5 GLU HA H 5 4.275 4.902 -0.627 1
1 32 . 18 1 1 A 5 5 GLU C C 5 177.037 175.970 1.067 1
1 33 . 18 1 1 A 5 5 GLU CA C 5 57.098 55.170 1.928 1
1 34 . 18 1 1 A 5 5 GLU CB C 5 30.282 31.626 -1.344 1
1 36 . 18 1 1 A 5 5 GLU N N 5 120.605 118.757 1.848 1
1 37 . 18 1 1 A 6 6 GLU H H 6 8.641 8.717 -0.076 1
1 38 . 18 1 1 A 6 6 GLU HA H 6 4.248 4.574 -0.326 1
1 43 . 18 1 1 A 6 6 GLU C C 6 176.799 176.220 0.579 1
1 44 . 18 1 1 A 6 6 GLU CA C 6 57.344 56.740 0.604 1
1 45 . 18 1 1 A 6 6 GLU CB C 6 29.842 29.983 -0.141 1
1 47 . 18 1 1 A 6 6 GLU N N 6 121.425 125.342 -3.917 1
1 48 . 18 1 1 A 7 7 GLN H H 7 8.304 7.597 0.707 1
1 53 . 18 1 1 A 7 7 GLN C C 7 175.537 174.134 1.403 1
1 54 . 18 1 1 A 7 7 GLN CA C 7 56.292 55.575 0.717 1
1 55 . 18 1 1 A 7 7 GLN CB C 7 29.164 29.747 -0.583 1
1 57 . 18 1 1 A 7 7 GLN N N 7 120.185 121.699 -1.514 1
1 59 . 18 1 1 A 8 8 TYR H H 8 8.221 8.938 -0.717 1
1 60 . 18 1 1 A 8 8 TYR HA H 8 4.606 5.161 -0.555 1
1 67 . 18 1 1 A 8 8 TYR C C 8 175.728 174.768 0.960 1
1 68 . 18 1 1 A 8 8 TYR CA C 8 58.138 56.721 1.417 1
1 69 . 18 1 1 A 8 8 TYR CB C 8 38.766 41.156 -2.390 1
1 70 . 18 1 1 A 8 8 TYR N N 8 120.918 124.461 -3.543 1
1 71 . 18 1 1 A 9 9 ASN H H 9 8.288 9.174 -0.886 1
1 72 . 18 1 1 A 9 9 ASN HA H 9 4.654 5.487 -0.833 1
1 77 . 18 1 1 A 9 9 ASN C C 9 175.439 174.116 1.323 1
1 78 . 18 1 1 A 9 9 ASN CA C 9 53.435 51.867 1.568 1
1 79 . 18 1 1 A 9 9 ASN CB C 9 38.790 42.561 -3.771 1
1 80 . 18 1 1 A 9 9 ASN N N 9 120.180 119.984 0.196 1
1 82 . 18 1 1 A 10 10 ARG H H 10 8.128 8.685 -0.557 1
1 83 . 18 1 1 A 10 10 ARG HA H 10 4.171 5.180 -1.009 1
1 90 . 18 1 1 A 10 10 ARG C C 10 176.244 174.707 1.537 1
1 91 . 18 1 1 A 10 10 ARG CA C 10 57.023 54.893 2.130 1
1 92 . 18 1 1 A 10 10 ARG CB C 10 30.535 33.692 -3.157 1
1 95 . 18 1 1 A 10 10 ARG N N 10 121.014 119.723 1.291 1
1 96 . 18 1 1 A 11 11 TYR H H 11 8.108 9.079 -0.971 1
1 97 . 18 1 1 A 11 11 TYR HA H 11 4.543 5.118 -0.575 1
1 104 . 18 1 1 A 11 11 TYR C C 11 175.929 175.207 0.722 1
1 105 . 18 1 1 A 11 11 TYR CA C 11 58.219 57.232 0.987 1
1 106 . 18 1 1 A 11 11 TYR CB C 11 38.365 40.940 -2.575 1
1 107 . 18 1 1 A 11 11 TYR N N 11 119.776 120.086 -0.310 1
1 108 . 18 1 1 A 12 12 GLN H H 12 8.050 8.770 -0.720 1
1 109 . 18 1 1 A 12 12 GLN HA H 12 4.269 5.123 -0.854 1
1 116 . 18 1 1 A 12 12 GLN C C 12 175.917 174.489 1.428 1
1 117 . 18 1 1 A 12 12 GLN CA C 12 56.240 55.160 1.080 1
1 118 . 18 1 1 A 12 12 GLN CB C 12 29.463 32.934 -3.471 1
1 120 . 18 1 1 A 12 12 GLN N N 12 120.992 120.489 0.503 1
1 122 . 18 1 1 A 13 13 GLN H H 13 8.065 8.688 -0.623 1
1 123 . 18 1 1 A 13 13 GLN HA H 13 4.202 4.652 -0.450 1
1 130 . 18 1 1 A 13 13 GLN C C 13 175.644 174.577 1.067 1
1 131 . 18 1 1 A 13 13 GLN CA C 13 56.242 53.598 2.644 1
1 132 . 18 1 1 A 13 13 GLN CB C 13 29.394 32.261 -2.867 1
1 134 . 18 1 1 A 13 13 GLN N N 13 120.539 121.432 -0.893 1
1 136 . 18 1 1 A 14 14 TYR H H 14 8.212 9.034 -0.822 1
1 137 . 18 1 1 A 14 14 TYR HA H 14 4.572 4.222 0.350 1
1 144 . 18 1 1 A 14 14 TYR C C 14 176.382 176.040 0.342 1
1 145 . 18 1 1 A 14 14 TYR CA C 14 57.958 58.624 -0.666 1
1 146 . 18 1 1 A 14 14 TYR CB C 14 38.983 36.246 2.737 1
1 151 . 18 1 1 A 14 14 TYR N N 14 120.582 119.332 1.250 1
1 152 . 18 1 1 A 15 15 GLY H H 15 8.405 8.737 -0.332 1
1 153 . 18 1 1 A 15 15 GLY HA2 H 15 3.933 3.933 0.000 1
1 154 . 18 1 1 A 15 15 GLY HA3 H 15 3.933 3.953 -0.020 1
1 155 . 18 1 1 A 15 15 GLY C C 15 173.776 174.795 -1.019 1
1 156 . 18 1 1 A 15 15 GLY CA C 15 45.407 47.094 -1.687 1
1 157 . 18 1 1 A 15 15 GLY N N 15 110.724 104.950 5.774 1
1 158 . 18 1 1 A 16 16 ALA H H 16 8.160 8.116 0.044 1
1 159 . 18 1 1 A 16 16 ALA HA H 16 4.302 4.219 0.083 1
1 163 . 18 1 1 A 16 16 ALA C C 16 178.147 176.811 1.336 1
1 164 . 18 1 1 A 16 16 ALA CA C 16 53.034 52.736 0.298 1
1 165 . 18 1 1 A 16 16 ALA CB C 16 19.392 18.964 0.428 1
1 166 . 18 1 1 A 16 16 ALA N N 16 123.489 122.634 0.855 1
1 167 . 18 1 1 A 17 17 GLU H H 17 8.612 8.878 -0.266 1
1 168 . 18 1 1 A 17 17 GLU HA H 17 4.169 4.550 -0.381 1
1 173 . 18 1 1 A 17 17 GLU C C 17 177.000 176.741 0.259 1
1 174 . 18 1 1 A 17 17 GLU CA C 17 57.837 57.138 0.699 1
1 175 . 18 1 1 A 17 17 GLU CB C 17 29.881 31.061 -1.180 1
1 177 . 18 1 1 A 17 17 GLU N N 17 119.373 123.904 -4.531 1
1 178 . 18 1 1 A 18 18 GLU H H 18 8.413 8.008 0.405 1
1 179 . 18 1 1 A 18 18 GLU HA H 18 4.210 4.519 -0.309 1
1 184 . 18 1 1 A 18 18 GLU C C 18 177.015 176.142 0.873 1
1 185 . 18 1 1 A 18 18 GLU CA C 18 57.641 56.592 1.049 1
1 186 . 18 1 1 A 18 18 GLU CB C 18 29.980 30.778 -0.798 1
1 188 . 18 1 1 A 18 18 GLU N N 18 120.184 117.617 2.567 1
1 189 . 18 1 1 A 19 19 CYS H H 19 8.253 8.554 -0.301 1
1 190 . 18 1 1 A 19 19 CYS HA H 19 4.381 4.877 -0.496 1
1 193 . 18 1 1 A 19 19 CYS C C 19 175.552 174.458 1.094 1
1 194 . 18 1 1 A 19 19 CYS CA C 19 59.819 58.205 1.614 1
1 195 . 18 1 1 A 19 19 CYS CB C 19 27.554 30.639 -3.085 1
1 196 . 18 1 1 A 19 19 CYS N N 19 119.775 120.410 -0.635 1
1 197 . 18 1 1 A 20 20 VAL H H 20 8.051 8.653 -0.602 1
1 198 . 18 1 1 A 20 20 VAL HA H 20 3.939 3.831 0.108 1
1 206 . 18 1 1 A 20 20 VAL C C 20 173.904 176.457 -2.553 1
1 207 . 18 1 1 A 20 20 VAL CA C 20 64.113 63.222 0.891 1
1 208 . 18 1 1 A 20 20 VAL CB C 20 32.316 29.621 2.695 1
1 211 . 18 1 1 A 20 20 VAL N N 20 121.008 122.905 -1.897 1
1 212 . 18 1 1 A 21 21 LEU H H 21 8.190 8.146 0.044 1
1 213 . 18 1 1 A 21 21 LEU HA H 21 4.648 4.251 0.397 1
1 222 . 18 1 1 A 21 21 LEU CA C 21 54.565 57.108 -2.543 1
1 223 . 18 1 1 A 21 21 LEU CB C 21 41.542 42.196 -0.654 1
1 225 . 18 1 1 A 21 21 LEU N N 21 123.470 121.518 1.952 1
1 226 . 18 1 1 A 22 22 GLN H H 22 8.322 7.841 0.481 1
1 227 . 18 1 1 A 22 22 GLN HA H 22 4.046 4.853 -0.807 1
1 230 . 18 1 1 A 22 22 GLN C C 22 176.428 174.172 2.256 1
1 231 . 18 1 1 A 22 22 GLN CA C 22 56.800 54.139 2.661 1
1 232 . 18 1 1 A 22 22 GLN CB C 22 29.116 32.098 -2.982 1
1 234 . 18 1 1 A 22 22 GLN N N 22 120.999 118.673 2.326 1
1 236 . 18 1 1 A 23 23 MET H H 23 7.958 8.998 -1.040 1
1 237 . 18 1 1 A 23 23 MET HA H 23 4.487 4.776 -0.289 1
1 245 . 18 1 1 A 23 23 MET C C 23 176.558 175.825 0.733 1
1 246 . 18 1 1 A 23 23 MET CA C 23 55.842 55.004 0.838 1
1 247 . 18 1 1 A 23 23 MET CB C 23 32.712 33.436 -0.724 1
1 250 . 18 1 1 A 23 23 MET N N 23 118.950 124.029 -5.079 1
1 251 . 18 1 1 A 24 24 GLY H H 24 8.549 8.529 0.020 1
1 252 . 18 1 1 A 24 24 GLY HA2 H 24 4.163 4.327 -0.164 1
1 253 . 18 1 1 A 24 24 GLY HA3 H 24 3.919 4.329 -0.410 1
1 254 . 18 1 1 A 24 24 GLY C C 24 174.799 174.011 0.788 1
1 255 . 18 1 1 A 24 24 GLY CA C 24 45.547 45.008 0.539 1
1 256 . 18 1 1 A 24 24 GLY N N 24 110.724 112.043 -1.319 1
1 257 . 18 1 1 A 25 25 GLY H H 25 8.216 8.488 -0.272 1
1 258 . 18 1 1 A 25 25 GLY HA2 H 25 4.455 4.030 0.425 1
1 259 . 18 1 1 A 25 25 GLY HA3 H 25 3.921 4.040 -0.119 1
1 260 . 18 1 1 A 25 25 GLY C C 25 172.658 173.461 -0.803 1
1 261 . 18 1 1 A 25 25 GLY CA C 25 45.087 46.530 -1.443 1
1 262 . 18 1 1 A 25 25 GLY N N 25 107.443 112.883 -5.440 1
1 263 . 18 1 1 A 26 26 VAL H H 26 8.726 7.993 0.733 1
1 264 . 18 1 1 A 26 26 VAL HA H 26 4.533 4.985 -0.452 1
1 272 . 18 1 1 A 26 26 VAL C C 26 172.923 174.179 -1.256 1
1 273 . 18 1 1 A 26 26 VAL CA C 26 59.864 59.418 0.446 1
1 274 . 18 1 1 A 26 26 VAL CB C 26 35.551 35.949 -0.398 1
1 277 . 18 1 1 A 26 26 VAL N N 26 116.467 123.663 -7.196 1
1 278 . 18 1 1 A 27 27 LEU H H 27 8.201 8.694 -0.493 1
1 279 . 18 1 1 A 27 27 LEU HA H 27 5.057 5.049 0.008 1
1 289 . 18 1 1 A 27 27 LEU C C 27 176.746 176.039 0.707 1
1 290 . 18 1 1 A 27 27 LEU CA C 27 53.134 52.647 0.487 1
1 291 . 18 1 1 A 27 27 LEU CB C 27 42.926 44.793 -1.867 1
1 294 . 18 1 1 A 27 27 LEU N N 27 124.428 122.262 2.166 1
1 295 . 18 1 1 A 28 28 CYS H H 28 8.902 8.321 0.581 1
1 296 . 18 1 1 A 28 28 CYS HA H 28 4.158 4.050 0.108 1
1 299 . 18 1 1 A 28 28 CYS CA C 28 57.728 57.600 0.128 1
1 300 . 18 1 1 A 28 28 CYS CB C 28 32.175 28.518 3.657 1
1 301 . 18 1 1 A 28 28 CYS N N 28 127.173 120.040 7.133 1
1 302 . 18 1 1 A 29 29 PRO HA H 29 4.410 4.404 0.006 1
1 309 . 18 1 1 A 29 29 PRO C C 29 177.459 176.255 1.204 1
1 310 . 18 1 1 A 29 29 PRO CA C 29 62.872 64.156 -1.284 1
1 311 . 18 1 1 A 29 29 PRO CB C 29 32.813 31.729 1.084 1
1 314 . 18 1 1 A 30 30 ARG H H 30 9.132 7.666 1.466 1
1 315 . 18 1 1 A 30 30 ARG HA H 30 4.087 4.426 -0.339 1
1 322 . 18 1 1 A 30 30 ARG CA C 30 55.102 54.271 0.831 1
1 323 . 18 1 1 A 30 30 ARG CB C 30 29.469 29.260 0.209 1
1 326 . 18 1 1 A 30 30 ARG N N 30 127.589 120.409 7.180 1
1 327 . 18 1 1 A 31 31 PRO HA H 31 4.242 4.246 -0.004 1
1 334 . 18 1 1 A 31 31 PRO C C 31 177.828 177.267 0.561 1
1 335 . 18 1 1 A 31 31 PRO CA C 31 64.202 63.603 0.599 1
1 336 . 18 1 1 A 31 31 PRO CB C 31 31.518 31.582 -0.064 1
1 339 . 18 1 1 A 32 32 GLY H H 32 8.773 8.805 -0.032 1
1 340 . 18 1 1 A 32 32 GLY HA2 H 32 4.065 3.901 0.164 1
1 341 . 18 1 1 A 32 32 GLY HA3 H 32 3.706 3.903 -0.197 1
1 342 . 18 1 1 A 32 32 GLY C C 32 173.340 174.245 -0.905 1
1 343 . 18 1 1 A 32 32 GLY CA C 32 45.272 45.956 -0.684 1
1 344 . 18 1 1 A 32 32 GLY N N 32 111.942 111.374 0.568 1
1 345 . 18 1 1 A 33 33 CYS H H 33 7.749 7.665 0.084 1
1 346 . 18 1 1 A 33 33 CYS HA H 33 4.528 4.345 0.183 1
1 349 . 18 1 1 A 33 33 CYS CA C 33 60.515 59.260 1.255 1
1 350 . 18 1 1 A 33 33 CYS CB C 33 29.641 28.232 1.409 1
1 351 . 18 1 1 A 33 33 CYS N N 33 123.343 120.999 2.344 1
1 352 . 18 1 1 A 34 34 GLY H H 34 8.351 8.777 -0.426 1
1 353 . 18 1 1 A 34 34 GLY HA2 H 34 4.120 3.898 0.222 1
1 354 . 18 1 1 A 34 34 GLY HA3 H 34 3.911 3.906 0.005 1
1 355 . 18 1 1 A 34 34 GLY C C 34 173.849 174.089 -0.240 1
1 356 . 18 1 1 A 34 34 GLY CA C 34 46.225 45.797 0.428 1
1 357 . 18 1 1 A 34 34 GLY N N 34 106.570 114.602 -8.032 1
1 358 . 18 1 1 A 35 35 ALA H H 35 8.591 7.595 0.996 1
1 359 . 18 1 1 A 35 35 ALA HA H 35 4.091 4.227 -0.136 1
1 363 . 18 1 1 A 35 35 ALA C C 35 176.818 177.213 -0.395 1
1 364 . 18 1 1 A 35 35 ALA CA C 35 53.757 52.559 1.198 1
1 365 . 18 1 1 A 35 35 ALA CB C 35 20.271 19.829 0.442 1
1 366 . 18 1 1 A 35 35 ALA N N 35 125.109 122.726 2.383 1
1 367 . 18 1 1 A 36 36 GLY H H 36 8.348 8.462 -0.114 1
1 368 . 18 1 1 A 36 36 GLY HA2 H 36 4.412 4.179 0.233 1
1 369 . 18 1 1 A 36 36 GLY HA3 H 36 3.479 4.189 -0.710 1
1 370 . 18 1 1 A 36 36 GLY C C 36 177.324 174.631 2.693 1
1 371 . 18 1 1 A 36 36 GLY CA C 36 45.847 45.430 0.417 1
1 372 . 18 1 1 A 36 36 GLY N N 36 106.607 105.957 0.650 1
1 373 . 18 1 1 A 37 37 LEU H H 37 8.190 7.978 0.212 1
1 374 . 18 1 1 A 37 37 LEU HA H 37 4.753 4.630 0.123 1
1 384 . 18 1 1 A 37 37 LEU C C 37 177.064 175.814 1.250 1
1 385 . 18 1 1 A 37 37 LEU CB C 37 44.730 42.885 1.845 1
1 389 . 18 1 1 A 37 37 LEU N N 37 123.541 119.107 4.434 1
1 390 . 18 1 1 A 38 38 LEU H H 38 8.210 8.536 -0.326 1
1 391 . 18 1 1 A 38 38 LEU HA H 38 4.981 4.424 0.557 1
1 401 . 18 1 1 A 38 38 LEU CA C 38 51.755 53.116 -1.361 1
1 402 . 18 1 1 A 38 38 LEU CB C 38 42.309 42.916 -0.607 1
1 405 . 18 1 1 A 38 38 LEU N N 38 124.280 126.678 -2.398 1
1 406 . 18 1 1 A 39 39 PRO HA H 39 4.600 4.563 0.037 1
1 413 . 18 1 1 A 39 39 PRO C C 39 176.647 176.424 0.223 1
1 414 . 18 1 1 A 39 39 PRO CA C 39 62.130 62.119 0.011 1
1 415 . 18 1 1 A 39 39 PRO CB C 39 32.686 32.557 0.129 1
1 418 . 18 1 1 A 40 40 GLU H H 40 8.631 8.557 0.074 1
1 419 . 18 1 1 A 40 40 GLU HA H 40 4.485 4.482 0.003 1
1 424 . 18 1 1 A 40 40 GLU CA C 40 55.067 54.786 0.281 1
1 425 . 18 1 1 A 40 40 GLU CB C 40 29.310 29.063 0.247 1
1 426 . 18 1 1 A 40 40 GLU N N 40 122.240 120.296 1.944 1
1 427 . 18 1 1 A 41 41 PRO HA H 41 3.869 4.392 -0.523 1
1 434 . 18 1 1 A 41 41 PRO C C 41 176.908 175.913 0.995 1
1 435 . 18 1 1 A 41 41 PRO CA C 41 64.772 63.827 0.945 1
1 436 . 18 1 1 A 41 41 PRO CB C 41 32.172 30.977 1.195 1
1 439 . 18 1 1 A 42 42 ASP H H 42 8.486 7.852 0.634 1
1 440 . 18 1 1 A 42 42 ASP HA H 42 4.456 4.864 -0.408 1
1 443 . 18 1 1 A 42 42 ASP C C 42 175.265 176.130 -0.865 1
1 444 . 18 1 1 A 42 42 ASP CA C 42 54.480 53.329 1.151 1
1 445 . 18 1 1 A 42 42 ASP CB C 42 40.139 42.188 -2.049 1
1 446 . 18 1 1 A 42 42 ASP N N 42 114.895 120.435 -5.540 1
1 447 . 18 1 1 A 43 43 GLN H H 43 7.280 8.949 -1.669 1
1 448 . 18 1 1 A 43 43 GLN HA H 43 4.420 4.010 0.410 1
1 455 . 18 1 1 A 43 43 GLN CA C 43 54.877 58.110 -3.233 1
1 456 . 18 1 1 A 43 43 GLN CB C 43 30.219 28.132 2.087 1
1 458 . 18 1 1 A 43 43 GLN N N 43 118.523 124.367 -5.844 1
1 460 . 18 1 1 A 44 44 ARG H H 44 8.207 7.593 0.614 1
1 461 . 18 1 1 A 44 44 ARG HA H 44 4.206 4.099 0.107 1
1 468 . 18 1 1 A 44 44 ARG C C 44 175.581 176.640 -1.059 1
1 469 . 18 1 1 A 44 44 ARG CA C 44 58.285 59.093 -0.808 1
1 470 . 18 1 1 A 44 44 ARG CB C 44 32.175 30.084 2.091 1
1 473 . 18 1 1 A 44 44 ARG N N 44 120.127 119.637 0.490 1
1 474 . 18 1 1 A 45 45 LYS H H 45 7.909 7.277 0.632 1
1 475 . 18 1 1 A 45 45 LYS HA H 45 3.985 4.683 -0.698 1
1 484 . 18 1 1 A 45 45 LYS C C 45 174.753 173.778 0.975 1
1 485 . 18 1 1 A 45 45 LYS CA C 45 56.378 55.662 0.716 1
1 486 . 18 1 1 A 45 45 LYS CB C 45 32.190 35.378 -3.188 1
1 490 . 18 1 1 A 45 45 LYS N N 45 118.935 118.703 0.232 1
1 491 . 18 1 1 A 46 46 VAL H H 46 8.574 8.899 -0.325 1
1 492 . 18 1 1 A 46 46 VAL HA H 46 3.870 4.477 -0.607 1
1 500 . 18 1 1 A 46 46 VAL C C 46 173.589 174.537 -0.948 1
1 501 . 18 1 1 A 46 46 VAL CA C 46 60.777 60.976 -0.199 1
1 502 . 18 1 1 A 46 46 VAL CB C 46 32.263 33.351 -1.088 1
1 505 . 18 1 1 A 46 46 VAL N N 46 130.468 126.747 3.721 1
1 506 . 18 1 1 A 47 47 THR H H 47 8.098 8.857 -0.759 1
1 507 . 18 1 1 A 47 47 THR HA H 47 4.864 4.478 0.386 1
1 512 . 18 1 1 A 47 47 THR C C 47 173.666 175.057 -1.391 1
1 513 . 18 1 1 A 47 47 THR CA C 47 61.070 61.904 -0.834 1
1 514 . 18 1 1 A 47 47 THR CB C 47 69.693 69.537 0.156 1
1 516 . 18 1 1 A 47 47 THR N N 47 120.392 122.619 -2.227 1
1 517 . 18 1 1 A 48 48 CYS H H 48 8.928 9.113 -0.185 1
1 518 . 18 1 1 A 48 48 CYS HA H 48 4.581 4.538 0.043 1
1 521 . 18 1 1 A 48 48 CYS C C 48 174.212 174.747 -0.535 1
1 522 . 18 1 1 A 48 48 CYS CA C 48 59.848 61.088 -1.240 1
1 523 . 18 1 1 A 48 48 CYS CB C 48 29.425 28.181 1.244 1
1 524 . 18 1 1 A 48 48 CYS N N 48 130.472 125.203 5.269 1
1 525 . 18 1 1 A 49 49 GLU H H 49 7.552 7.447 0.105 1
1 526 . 18 1 1 A 49 49 GLU HA H 49 4.647 4.318 0.329 1
1 531 . 18 1 1 A 49 49 GLU C C 49 175.297 176.197 -0.900 1
1 532 . 18 1 1 A 49 49 GLU CA C 49 55.852 56.644 -0.792 1
1 533 . 18 1 1 A 49 49 GLU CB C 49 31.404 30.826 0.578 1
1 535 . 18 1 1 A 49 49 GLU N N 49 128.705 119.366 9.339 1
1 536 . 18 1 1 A 50 50 GLY H H 50 8.459 8.613 -0.154 1
1 537 . 18 1 1 A 50 50 GLY HA2 H 50 4.128 4.175 -0.047 1
1 538 . 18 1 1 A 50 50 GLY HA3 H 50 3.916 4.181 -0.265 1
1 539 . 18 1 1 A 50 50 GLY C C 50 174.247 172.805 1.442 1
1 540 . 18 1 1 A 50 50 GLY CA C 50 45.243 44.857 0.386 1
1 541 . 18 1 1 A 50 50 GLY N N 50 109.953 108.250 1.703 1
1 542 . 18 1 1 A 51 51 GLY H H 51 8.548 8.329 0.219 1
1 543 . 18 1 1 A 51 51 GLY HA2 H 51 3.991 4.258 -0.267 1
1 544 . 18 1 1 A 51 51 GLY HA3 H 51 3.991 4.259 -0.268 1
1 545 . 18 1 1 A 51 51 GLY C C 51 174.381 173.292 1.089 1
1 546 . 18 1 1 A 51 51 GLY CA C 51 45.714 45.535 0.179 1
1 547 . 18 1 1 A 51 51 GLY N N 51 109.074 110.484 -1.410 1
1 548 . 18 1 1 A 52 52 ASN H H 52 8.740 8.504 0.236 1
1 549 . 18 1 1 A 52 52 ASN HA H 52 4.566 4.854 -0.288 1
1 554 . 18 1 1 A 52 52 ASN C C 52 175.686 174.909 0.777 1
1 555 . 18 1 1 A 52 52 ASN CA C 52 53.618 52.825 0.793 1
1 556 . 18 1 1 A 52 52 ASN CB C 52 38.009 38.946 -0.937 1
1 557 . 18 1 1 A 52 52 ASN N N 52 118.415 120.738 -2.323 1
1 559 . 18 1 1 A 53 53 GLY H H 53 8.367 7.679 0.688 1
1 560 . 18 1 1 A 53 53 GLY HA2 H 53 4.101 4.064 0.037 1
1 561 . 18 1 1 A 53 53 GLY HA3 H 53 3.808 4.064 -0.256 1
1 562 . 18 1 1 A 53 53 GLY C C 53 174.323 174.894 -0.571 1
1 563 . 18 1 1 A 53 53 GLY CA C 53 45.675 45.413 0.262 1
1 564 . 18 1 1 A 53 53 GLY N N 53 107.419 105.842 1.577 1
1 565 . 18 1 1 A 54 54 LEU H H 54 7.703 7.874 -0.171 1
1 566 . 18 1 1 A 54 54 LEU HA H 54 4.405 4.205 0.200 1
1 576 . 18 1 1 A 54 54 LEU C C 54 177.359 177.222 0.137 1
1 577 . 18 1 1 A 54 54 LEU CA C 54 55.162 56.130 -0.968 1
1 578 . 18 1 1 A 54 54 LEU CB C 54 42.742 42.833 -0.091 1
1 582 . 18 1 1 A 54 54 LEU N N 54 121.020 122.957 -1.937 1
1 583 . 18 1 1 A 55 55 GLY H H 55 8.265 8.423 -0.158 1
1 584 . 18 1 1 A 55 55 GLY HA2 H 55 4.112 4.193 -0.081 1
1 585 . 18 1 1 A 55 55 GLY HA3 H 55 4.112 4.201 -0.089 1
1 586 . 18 1 1 A 55 55 GLY C C 55 174.453 174.769 -0.316 1
1 587 . 18 1 1 A 55 55 GLY CA C 55 45.438 45.712 -0.274 1
1 588 . 18 1 1 A 55 55 GLY N N 55 109.910 109.070 0.840 1
1 589 . 18 1 1 A 56 56 CYS H H 56 10.071 8.931 1.140 1
1 590 . 18 1 1 A 56 56 CYS HA H 56 4.928 4.234 0.694 1
1 593 . 18 1 1 A 56 56 CYS C C 56 177.993 175.269 2.724 1
1 594 . 18 1 1 A 56 56 CYS CA C 56 59.541 60.975 -1.434 1
1 595 . 18 1 1 A 56 56 CYS CB C 56 32.099 28.051 4.048 1
1 596 . 18 1 1 A 56 56 CYS N N 56 124.504 123.960 0.544 1
1 597 . 18 1 1 A 57 57 GLY H H 57 9.174 8.219 0.955 1
1 598 . 18 1 1 A 57 57 GLY HA2 H 57 4.313 3.982 0.331 1
1 599 . 18 1 1 A 57 57 GLY HA3 H 57 3.668 4.005 -0.337 1
1 600 . 18 1 1 A 57 57 GLY C C 57 173.686 173.642 0.044 1
1 601 . 18 1 1 A 57 57 GLY CA C 57 45.860 45.433 0.427 1
1 602 . 18 1 1 A 57 57 GLY N N 57 114.428 108.444 5.984 1
1 603 . 18 1 1 A 58 58 PHE H H 58 9.036 7.860 1.176 1
1 604 . 18 1 1 A 58 58 PHE HA H 58 4.623 4.780 -0.157 1
1 611 . 18 1 1 A 58 58 PHE C C 58 173.896 174.909 -1.013 1
1 612 . 18 1 1 A 58 58 PHE CA C 58 58.969 56.048 2.921 1
1 613 . 18 1 1 A 58 58 PHE CB C 58 41.132 40.964 0.168 1
1 614 . 18 1 1 A 58 58 PHE N N 58 125.130 121.622 3.508 1
1 615 . 18 1 1 A 59 59 ALA H H 59 7.570 8.408 -0.838 1
1 616 . 18 1 1 A 59 59 ALA HA H 59 5.486 4.737 0.749 1
1 620 . 18 1 1 A 59 59 ALA C C 59 176.469 177.565 -1.096 1
1 621 . 18 1 1 A 59 59 ALA CA C 59 49.817 52.559 -2.742 1
1 622 . 18 1 1 A 59 59 ALA CB C 59 19.826 19.388 0.438 1
1 623 . 18 1 1 A 59 59 ALA N N 59 128.638 130.024 -1.386 1
1 624 . 18 1 1 A 60 60 PHE H H 60 9.387 8.626 0.761 1
1 625 . 18 1 1 A 60 60 PHE HA H 60 5.204 5.558 -0.354 1
1 632 . 18 1 1 A 60 60 PHE C C 60 172.955 172.473 0.482 1
1 633 . 18 1 1 A 60 60 PHE CA C 60 54.353 55.372 -1.019 1
1 634 . 18 1 1 A 60 60 PHE CB C 60 42.246 41.651 0.595 1
1 637 . 18 1 1 A 60 60 PHE N N 60 121.410 115.445 5.965 1
1 638 . 18 1 1 A 61 61 CYS H H 61 8.772 9.125 -0.353 1
1 639 . 18 1 1 A 61 61 CYS HA H 61 4.754 4.895 -0.141 1
1 642 . 18 1 1 A 61 61 CYS C C 61 177.353 175.862 1.491 1
1 643 . 18 1 1 A 61 61 CYS CA C 61 58.032 57.270 0.762 1
1 644 . 18 1 1 A 61 61 CYS CB C 61 32.242 30.192 2.050 1
1 645 . 18 1 1 A 61 61 CYS N N 61 120.610 120.341 0.269 1
1 646 . 18 1 1 A 62 62 ARG H H 62 9.535 8.676 0.859 1
1 647 . 18 1 1 A 62 62 ARG HA H 62 4.027 4.186 -0.159 1
1 654 . 18 1 1 A 62 62 ARG C C 62 175.657 178.456 -2.799 1
1 655 . 18 1 1 A 62 62 ARG CA C 62 59.330 58.840 0.490 1
1 656 . 18 1 1 A 62 62 ARG CB C 62 31.196 29.919 1.277 1
1 659 . 18 1 1 A 62 62 ARG N N 62 130.041 127.071 2.970 1
1 660 . 18 1 1 A 63 63 GLU H H 63 8.721 7.983 0.738 1
1 661 . 18 1 1 A 63 63 GLU HA H 63 4.394 4.094 0.300 1
1 666 . 18 1 1 A 63 63 GLU C C 63 177.341 178.261 -0.920 1
1 667 . 18 1 1 A 63 63 GLU CA C 63 58.404 59.436 -1.032 1
1 668 . 18 1 1 A 63 63 GLU CB C 63 30.501 29.613 0.888 1
1 670 . 18 1 1 A 63 63 GLU N N 63 118.534 118.789 -0.255 1
1 671 . 18 1 1 A 64 64 CYS H H 64 8.050 7.878 0.172 1
1 672 . 18 1 1 A 64 64 CYS HA H 64 4.962 4.621 0.341 1
1 675 . 18 1 1 A 64 64 CYS C C 64 176.019 175.434 0.585 1
1 676 . 18 1 1 A 64 64 CYS CA C 64 58.858 58.191 0.667 1
1 677 . 18 1 1 A 64 64 CYS CB C 64 32.103 27.955 4.148 1
1 678 . 18 1 1 A 64 64 CYS N N 64 116.495 115.200 1.295 1
1 679 . 18 1 1 A 65 65 LYS H H 65 8.489 8.078 0.411 1
1 680 . 18 1 1 A 65 65 LYS HA H 65 4.191 4.503 -0.312 1
1 687 . 18 1 1 A 65 65 LYS C C 65 174.742 175.373 -0.631 1
1 688 . 18 1 1 A 65 65 LYS CA C 65 58.883 57.258 1.625 1
1 689 . 18 1 1 A 65 65 LYS CB C 65 28.865 30.165 -1.300 1
1 693 . 18 1 1 A 65 65 LYS N N 65 117.320 120.262 -2.942 1
1 694 . 18 1 1 A 66 66 GLU H H 66 8.272 7.430 0.842 1
1 695 . 18 1 1 A 66 66 GLU HA H 66 4.721 4.950 -0.229 1
1 700 . 18 1 1 A 66 66 GLU C C 66 175.422 175.590 -0.168 1
1 701 . 18 1 1 A 66 66 GLU CA C 66 55.285 54.355 0.930 1
1 702 . 18 1 1 A 66 66 GLU CB C 66 31.666 33.202 -1.536 1
1 704 . 18 1 1 A 66 66 GLU N N 66 117.719 119.250 -1.531 1
1 705 . 18 1 1 A 67 67 ALA H H 67 8.766 8.468 0.298 1
1 706 . 18 1 1 A 67 67 ALA HA H 67 4.177 4.451 -0.274 1
1 710 . 18 1 1 A 67 67 ALA C C 67 177.459 177.079 0.380 1
1 711 . 18 1 1 A 67 67 ALA CA C 67 53.019 53.147 -0.128 1
1 712 . 18 1 1 A 67 67 ALA CB C 67 18.548 19.106 -0.558 1
1 713 . 18 1 1 A 67 67 ALA N N 67 120.597 124.524 -3.927 1
1 714 . 18 1 1 A 68 68 TYR H H 68 8.061 8.878 -0.817 1
1 715 . 18 1 1 A 68 68 TYR HA H 68 4.531 4.411 0.120 1
1 722 . 18 1 1 A 68 68 TYR CA C 68 58.242 59.677 -1.435 1
1 723 . 18 1 1 A 68 68 TYR CB C 68 38.531 39.078 -0.547 1
1 728 . 18 1 1 A 68 68 TYR N N 68 120.592 123.817 -3.225 1
1 729 . 18 1 1 A 69 69 HIS HA H 69 4.643 5.622 -0.979 1
1 734 . 18 1 1 A 69 69 HIS C C 69 173.158 174.130 -0.972 1
1 735 . 18 1 1 A 69 69 HIS CA C 69 51.310 53.454 -2.144 1
1 736 . 18 1 1 A 69 69 HIS CB C 69 32.038 32.388 -0.350 1
1 739 . 18 1 1 A 70 70 GLU H H 70 8.796 8.777 0.019 1
1 740 . 18 1 1 A 70 70 GLU HA H 70 4.238 4.085 0.153 1
1 745 . 18 1 1 A 70 70 GLU C C 70 178.838 177.021 1.817 1
1 746 . 18 1 1 A 70 70 GLU CA C 70 55.450 58.160 -2.710 1
1 747 . 18 1 1 A 70 70 GLU CB C 70 30.527 29.103 1.424 1
1 749 . 18 1 1 A 70 70 GLU N N 70 120.194 122.770 -2.576 1
1 750 . 18 1 1 A 71 71 GLY H H 71 8.876 8.289 0.587 1
1 751 . 18 1 1 A 71 71 GLY HA2 H 71 4.082 4.087 -0.005 1
1 752 . 18 1 1 A 71 71 GLY HA3 H 71 3.910 4.130 -0.220 1
1 753 . 18 1 1 A 71 71 GLY C C 71 173.634 171.416 2.218 1
1 754 . 18 1 1 A 71 71 GLY CA C 71 45.615 45.509 0.106 1
1 755 . 18 1 1 A 71 71 GLY N N 71 111.118 111.752 -0.634 1
1 756 . 18 1 1 A 72 72 GLU H H 72 8.391 8.133 0.258 1
1 757 . 18 1 1 A 72 72 GLU HA H 72 4.360 4.515 -0.155 1
1 762 . 18 1 1 A 72 72 GLU C C 72 177.319 174.385 2.934 1
1 763 . 18 1 1 A 72 72 GLU CA C 72 56.571 55.606 0.965 1
1 764 . 18 1 1 A 72 72 GLU CB C 72 30.411 33.215 -2.804 1
1 766 . 18 1 1 A 72 72 GLU N N 72 118.939 119.889 -0.950 1
1 767 . 18 1 1 A 73 73 CYS H H 73 8.574 8.573 0.001 1
1 768 . 18 1 1 A 73 73 CYS HA H 73 3.770 4.481 -0.711 1
1 771 . 18 1 1 A 73 73 CYS C C 73 176.052 175.904 0.148 1
1 772 . 18 1 1 A 73 73 CYS CA C 73 60.416 57.791 2.625 1
1 773 . 18 1 1 A 73 73 CYS CB C 73 30.793 27.193 3.600 1
1 774 . 18 1 1 A 73 73 CYS N N 73 123.479 122.772 0.707 1
1 775 . 18 1 1 A 74 74 SER H H 74 8.541 8.851 -0.310 1
1 776 . 18 1 1 A 74 74 SER HA H 74 4.288 4.337 -0.049 1
1 779 . 18 1 1 A 74 74 SER C C 74 174.140 175.386 -1.246 1
1 780 . 18 1 1 A 74 74 SER CA C 74 58.591 61.673 -3.082 1
1 781 . 18 1 1 A 74 74 SER CB C 74 63.626 62.880 0.746 1
1 782 . 18 1 1 A 74 74 SER N N 74 117.297 120.084 -2.787 1
1 783 . 18 1 1 A 75 75 ALA H H 75 8.092 7.760 0.332 1
1 784 . 18 1 1 A 75 75 ALA HA H 75 4.312 4.317 -0.005 1
1 788 . 18 1 1 A 75 75 ALA C C 75 177.173 176.048 1.125 1
1 789 . 18 1 1 A 75 75 ALA CA C 75 52.403 52.551 -0.148 1
1 790 . 18 1 1 A 75 75 ALA CB C 75 19.546 18.886 0.660 1
1 791 . 18 1 1 A 75 75 ALA N N 75 125.952 121.965 3.987 1
1 792 . 18 1 1 A 76 76 VAL H H 76 7.934 7.567 0.367 1
1 793 . 18 1 1 A 76 76 VAL HA H 76 4.028 4.576 -0.548 1
1 801 . 18 1 1 A 76 76 VAL C C 76 175.784 176.240 -0.456 1
1 802 . 18 1 1 A 76 76 VAL CA C 76 62.265 60.544 1.721 1
1 803 . 18 1 1 A 76 76 VAL CB C 76 32.893 35.625 -2.732 1
1 806 . 18 1 1 A 76 76 VAL N N 76 118.959 117.101 1.858 1
1 807 . 18 1 1 A 77 77 PHE H H 77 8.283 9.030 -0.747 1
1 808 . 18 1 1 A 77 77 PHE HA H 77 4.670 4.121 0.549 1
1 813 . 18 1 1 A 77 77 PHE C C 77 175.335 174.679 0.656 1
1 814 . 18 1 1 A 77 77 PHE CA C 77 57.588 58.720 -1.132 1
1 815 . 18 1 1 A 77 77 PHE CB C 77 39.899 37.654 2.245 1
1 818 . 18 1 1 A 77 77 PHE N N 77 124.298 124.836 -0.538 1
1 819 . 18 1 1 A 78 78 GLU H H 78 8.262 7.795 0.467 1
1 820 . 18 1 1 A 78 78 GLU HA H 78 4.251 4.670 -0.419 1
1 825 . 18 1 1 A 78 78 GLU C C 78 175.451 175.445 0.006 1
1 826 . 18 1 1 A 78 78 GLU CA C 78 56.179 54.322 1.857 1
1 827 . 18 1 1 A 78 78 GLU CB C 78 30.676 32.775 -2.099 1
1 829 . 18 1 1 A 78 78 GLU N N 78 123.482 118.834 4.648 1
1 830 . 18 1 1 A 79 79 ALA H H 79 8.279 8.590 -0.311 1
1 831 . 18 1 1 A 79 79 ALA HA H 79 4.341 4.202 0.139 1
1 835 . 18 1 1 A 79 79 ALA C C 79 176.767 178.635 -1.868 1
1 836 . 18 1 1 A 79 79 ALA CA C 79 52.512 52.613 -0.101 1
1 837 . 18 1 1 A 79 79 ALA CB C 79 19.493 19.078 0.415 1
1 838 . 18 1 1 A 79 79 ALA N N 79 126.363 129.152 -2.789 1
1 6 . 19 1 1 A 2 2 HIS H H 2 7.929 8.742 -0.813 1
1 9 . 19 1 1 A 2 2 HIS CB C 2 31.017 32.819 -1.802 1
1 12 . 19 1 1 A 2 2 HIS N N 2 118.946 122.140 -3.194 1
1 13 . 19 1 1 A 3 3 MET HA H 3 4.537 5.203 -0.666 1
1 16 . 19 1 1 A 3 3 MET C C 3 176.240 175.554 0.686 1
1 17 . 19 1 1 A 3 3 MET CA C 3 55.681 54.620 1.061 1
1 18 . 19 1 1 A 3 3 MET CB C 3 33.063 35.974 -2.911 1
1 20 . 19 1 1 A 4 4 GLY H H 4 8.155 8.685 -0.530 1
1 21 . 19 1 1 A 4 4 GLY HA2 H 4 4.031 4.267 -0.236 1
1 22 . 19 1 1 A 4 4 GLY HA3 H 4 4.031 4.274 -0.243 1
1 23 . 19 1 1 A 4 4 GLY C C 4 174.348 172.480 1.868 1
1 24 . 19 1 1 A 4 4 GLY CA C 4 45.418 45.904 -0.486 1
1 25 . 19 1 1 A 4 4 GLY N N 4 108.673 111.147 -2.474 1
1 26 . 19 1 1 A 5 5 GLU H H 5 8.351 8.516 -0.165 1
1 27 . 19 1 1 A 5 5 GLU HA H 5 4.275 4.340 -0.065 1
1 32 . 19 1 1 A 5 5 GLU C C 5 177.037 176.115 0.922 1
1 33 . 19 1 1 A 5 5 GLU CA C 5 57.098 55.980 1.118 1
1 34 . 19 1 1 A 5 5 GLU CB C 5 30.282 30.456 -0.174 1
1 36 . 19 1 1 A 5 5 GLU N N 5 120.605 117.102 3.503 1
1 37 . 19 1 1 A 6 6 GLU H H 6 8.641 8.821 -0.180 1
1 38 . 19 1 1 A 6 6 GLU HA H 6 4.248 4.979 -0.731 1
1 43 . 19 1 1 A 6 6 GLU C C 6 176.799 175.207 1.592 1
1 44 . 19 1 1 A 6 6 GLU CA C 6 57.344 54.459 2.885 1
1 45 . 19 1 1 A 6 6 GLU CB C 6 29.842 33.934 -4.092 1
1 47 . 19 1 1 A 6 6 GLU N N 6 121.425 119.595 1.830 1
1 48 . 19 1 1 A 7 7 GLN H H 7 8.304 8.688 -0.384 1
1 53 . 19 1 1 A 7 7 GLN C C 7 175.537 177.291 -1.754 1
1 54 . 19 1 1 A 7 7 GLN CA C 7 56.292 55.197 1.095 1
1 55 . 19 1 1 A 7 7 GLN CB C 7 29.164 29.554 -0.390 1
1 57 . 19 1 1 A 7 7 GLN N N 7 120.185 120.652 -0.467 1
1 59 . 19 1 1 A 8 8 TYR H H 8 8.221 8.787 -0.566 1
1 60 . 19 1 1 A 8 8 TYR HA H 8 4.606 4.466 0.140 1
1 67 . 19 1 1 A 8 8 TYR C C 8 175.728 175.990 -0.262 1
1 68 . 19 1 1 A 8 8 TYR CA C 8 58.138 59.962 -1.824 1
1 69 . 19 1 1 A 8 8 TYR CB C 8 38.766 39.111 -0.345 1
1 70 . 19 1 1 A 8 8 TYR N N 8 120.918 122.101 -1.183 1
1 71 . 19 1 1 A 9 9 ASN H H 9 8.288 7.819 0.469 1
1 72 . 19 1 1 A 9 9 ASN HA H 9 4.654 5.102 -0.448 1
1 77 . 19 1 1 A 9 9 ASN C C 9 175.439 173.677 1.762 1
1 78 . 19 1 1 A 9 9 ASN CA C 9 53.435 52.390 1.045 1
1 79 . 19 1 1 A 9 9 ASN CB C 9 38.790 41.452 -2.662 1
1 80 . 19 1 1 A 9 9 ASN N N 9 120.180 112.491 7.689 1
1 82 . 19 1 1 A 10 10 ARG H H 10 8.128 8.576 -0.448 1
1 83 . 19 1 1 A 10 10 ARG HA H 10 4.171 4.744 -0.573 1
1 90 . 19 1 1 A 10 10 ARG C C 10 176.244 174.229 2.015 1
1 91 . 19 1 1 A 10 10 ARG CA C 10 57.023 54.429 2.594 1
1 92 . 19 1 1 A 10 10 ARG CB C 10 30.535 32.929 -2.394 1
1 95 . 19 1 1 A 10 10 ARG N N 10 121.014 119.380 1.634 1
1 96 . 19 1 1 A 11 11 TYR H H 11 8.108 8.462 -0.354 1
1 97 . 19 1 1 A 11 11 TYR HA H 11 4.543 4.188 0.355 1
1 104 . 19 1 1 A 11 11 TYR C C 11 175.929 175.536 0.393 1
1 105 . 19 1 1 A 11 11 TYR CA C 11 58.219 59.001 -0.782 1
1 106 . 19 1 1 A 11 11 TYR CB C 11 38.365 35.755 2.610 1
1 107 . 19 1 1 A 11 11 TYR N N 11 119.776 116.700 3.076 1
1 108 . 19 1 1 A 12 12 GLN H H 12 8.050 7.906 0.144 1
1 109 . 19 1 1 A 12 12 GLN HA H 12 4.269 3.923 0.346 1
1 116 . 19 1 1 A 12 12 GLN C C 12 175.917 176.934 -1.017 1
1 117 . 19 1 1 A 12 12 GLN CA C 12 56.240 59.411 -3.171 1
1 118 . 19 1 1 A 12 12 GLN CB C 12 29.463 28.527 0.936 1
1 120 . 19 1 1 A 12 12 GLN N N 12 120.992 119.084 1.908 1
1 122 . 19 1 1 A 13 13 GLN H H 13 8.065 7.641 0.424 1
1 123 . 19 1 1 A 13 13 GLN HA H 13 4.202 4.525 -0.323 1
1 130 . 19 1 1 A 13 13 GLN C C 13 175.644 176.527 -0.883 1
1 131 . 19 1 1 A 13 13 GLN CA C 13 56.242 55.956 0.286 1
1 132 . 19 1 1 A 13 13 GLN CB C 13 29.394 29.762 -0.368 1
1 134 . 19 1 1 A 13 13 GLN N N 13 120.539 118.294 2.245 1
1 136 . 19 1 1 A 14 14 TYR H H 14 8.212 8.841 -0.629 1
1 137 . 19 1 1 A 14 14 TYR HA H 14 4.572 4.386 0.186 1
1 144 . 19 1 1 A 14 14 TYR C C 14 176.382 177.151 -0.769 1
1 145 . 19 1 1 A 14 14 TYR CA C 14 57.958 60.503 -2.545 1
1 146 . 19 1 1 A 14 14 TYR CB C 14 38.983 38.821 0.162 1
1 151 . 19 1 1 A 14 14 TYR N N 14 120.582 122.452 -1.870 1
1 152 . 19 1 1 A 15 15 GLY H H 15 8.405 7.716 0.689 1
1 153 . 19 1 1 A 15 15 GLY HA2 H 15 3.933 4.085 -0.152 1
1 154 . 19 1 1 A 15 15 GLY HA3 H 15 3.933 4.086 -0.153 1
1 155 . 19 1 1 A 15 15 GLY C C 15 173.776 173.268 0.508 1
1 156 . 19 1 1 A 15 15 GLY CA C 15 45.407 45.074 0.333 1
1 157 . 19 1 1 A 15 15 GLY N N 15 110.724 107.794 2.930 1
1 158 . 19 1 1 A 16 16 ALA H H 16 8.160 8.268 -0.108 1
1 159 . 19 1 1 A 16 16 ALA HA H 16 4.302 4.262 0.040 1
1 163 . 19 1 1 A 16 16 ALA C C 16 178.147 177.242 0.905 1
1 164 . 19 1 1 A 16 16 ALA CA C 16 53.034 52.148 0.886 1
1 165 . 19 1 1 A 16 16 ALA CB C 16 19.392 19.072 0.320 1
1 166 . 19 1 1 A 16 16 ALA N N 16 123.489 122.533 0.956 1
1 167 . 19 1 1 A 17 17 GLU H H 17 8.612 8.453 0.159 1
1 168 . 19 1 1 A 17 17 GLU HA H 17 4.169 4.628 -0.459 1
1 173 . 19 1 1 A 17 17 GLU C C 17 177.000 175.329 1.671 1
1 174 . 19 1 1 A 17 17 GLU CA C 17 57.837 55.991 1.846 1
1 175 . 19 1 1 A 17 17 GLU CB C 17 29.881 30.360 -0.479 1
1 177 . 19 1 1 A 17 17 GLU N N 17 119.373 121.262 -1.889 1
1 178 . 19 1 1 A 18 18 GLU H H 18 8.413 8.995 -0.582 1
1 179 . 19 1 1 A 18 18 GLU HA H 18 4.210 4.882 -0.672 1
1 184 . 19 1 1 A 18 18 GLU C C 18 177.015 175.459 1.556 1
1 185 . 19 1 1 A 18 18 GLU CA C 18 57.641 55.186 2.455 1
1 186 . 19 1 1 A 18 18 GLU CB C 18 29.980 30.781 -0.801 1
1 188 . 19 1 1 A 18 18 GLU N N 18 120.184 124.276 -4.092 1
1 189 . 19 1 1 A 19 19 CYS H H 19 8.253 8.581 -0.328 1
1 190 . 19 1 1 A 19 19 CYS HA H 19 4.381 5.188 -0.807 1
1 193 . 19 1 1 A 19 19 CYS C C 19 175.552 173.754 1.798 1
1 194 . 19 1 1 A 19 19 CYS CA C 19 59.819 57.578 2.241 1
1 195 . 19 1 1 A 19 19 CYS CB C 19 27.554 30.807 -3.253 1
1 196 . 19 1 1 A 19 19 CYS N N 19 119.775 123.057 -3.282 1
1 197 . 19 1 1 A 20 20 VAL H H 20 8.051 8.455 -0.404 1
1 198 . 19 1 1 A 20 20 VAL HA H 20 3.939 3.633 0.306 1
1 206 . 19 1 1 A 20 20 VAL C C 20 173.904 174.303 -0.399 1
1 207 . 19 1 1 A 20 20 VAL CA C 20 64.113 63.141 0.972 1
1 208 . 19 1 1 A 20 20 VAL CB C 20 32.316 29.853 2.463 1
1 211 . 19 1 1 A 20 20 VAL N N 20 121.008 118.403 2.605 1
1 212 . 19 1 1 A 21 21 LEU H H 21 8.190 7.694 0.496 1
1 213 . 19 1 1 A 21 21 LEU HA H 21 4.648 5.043 -0.395 1
1 222 . 19 1 1 A 21 21 LEU CA C 21 54.565 53.696 0.869 1
1 223 . 19 1 1 A 21 21 LEU CB C 21 41.542 45.127 -3.585 1
1 225 . 19 1 1 A 21 21 LEU N N 21 123.470 121.307 2.163 1
1 226 . 19 1 1 A 22 22 GLN H H 22 8.322 8.217 0.105 1
1 227 . 19 1 1 A 22 22 GLN HA H 22 4.046 4.811 -0.765 1
1 230 . 19 1 1 A 22 22 GLN C C 22 176.428 175.911 0.517 1
1 231 . 19 1 1 A 22 22 GLN CA C 22 56.800 54.013 2.787 1
1 232 . 19 1 1 A 22 22 GLN CB C 22 29.116 32.648 -3.532 1
1 234 . 19 1 1 A 22 22 GLN N N 22 120.999 124.171 -3.172 1
1 236 . 19 1 1 A 23 23 MET H H 23 7.958 9.008 -1.050 1
1 237 . 19 1 1 A 23 23 MET HA H 23 4.487 4.191 0.296 1
1 245 . 19 1 1 A 23 23 MET C C 23 176.558 176.240 0.318 1
1 246 . 19 1 1 A 23 23 MET CA C 23 55.842 58.121 -2.279 1
1 247 . 19 1 1 A 23 23 MET CB C 23 32.712 33.023 -0.311 1
1 250 . 19 1 1 A 23 23 MET N N 23 118.950 122.974 -4.024 1
1 251 . 19 1 1 A 24 24 GLY H H 24 8.549 7.894 0.655 1
1 252 . 19 1 1 A 24 24 GLY HA2 H 24 4.163 4.086 0.077 1
1 253 . 19 1 1 A 24 24 GLY HA3 H 24 3.919 4.088 -0.169 1
1 254 . 19 1 1 A 24 24 GLY C C 24 174.799 174.316 0.483 1
1 255 . 19 1 1 A 24 24 GLY CA C 24 45.547 43.983 1.564 1
1 256 . 19 1 1 A 24 24 GLY N N 24 110.724 106.448 4.276 1
1 257 . 19 1 1 A 25 25 GLY H H 25 8.216 8.497 -0.281 1
1 258 . 19 1 1 A 25 25 GLY HA2 H 25 4.455 3.869 0.586 1
1 259 . 19 1 1 A 25 25 GLY HA3 H 25 3.921 3.877 0.044 1
1 260 . 19 1 1 A 25 25 GLY C C 25 172.658 173.896 -1.238 1
1 261 . 19 1 1 A 25 25 GLY CA C 25 45.087 46.239 -1.152 1
1 262 . 19 1 1 A 25 25 GLY N N 25 107.443 109.875 -2.432 1
1 263 . 19 1 1 A 26 26 VAL H H 26 8.726 8.603 0.123 1
1 264 . 19 1 1 A 26 26 VAL HA H 26 4.533 4.898 -0.365 1
1 272 . 19 1 1 A 26 26 VAL C C 26 172.923 174.284 -1.361 1
1 273 . 19 1 1 A 26 26 VAL CA C 26 59.864 59.359 0.505 1
1 274 . 19 1 1 A 26 26 VAL CB C 26 35.551 35.700 -0.149 1
1 277 . 19 1 1 A 26 26 VAL N N 26 116.467 123.705 -7.238 1
1 278 . 19 1 1 A 27 27 LEU H H 27 8.201 8.853 -0.652 1
1 279 . 19 1 1 A 27 27 LEU HA H 27 5.057 5.098 -0.041 1
1 289 . 19 1 1 A 27 27 LEU C C 27 176.746 175.483 1.263 1
1 290 . 19 1 1 A 27 27 LEU CA C 27 53.134 53.262 -0.128 1
1 291 . 19 1 1 A 27 27 LEU CB C 27 42.926 45.785 -2.859 1
1 294 . 19 1 1 A 27 27 LEU N N 27 124.428 124.355 0.073 1
1 295 . 19 1 1 A 28 28 CYS H H 28 8.902 8.613 0.289 1
1 296 . 19 1 1 A 28 28 CYS HA H 28 4.158 4.307 -0.149 1
1 299 . 19 1 1 A 28 28 CYS CA C 28 57.728 57.854 -0.126 1
1 300 . 19 1 1 A 28 28 CYS CB C 28 32.175 27.357 4.818 1
1 301 . 19 1 1 A 28 28 CYS N N 28 127.173 120.588 6.585 1
1 302 . 19 1 1 A 29 29 PRO HA H 29 4.410 4.281 0.129 1
1 309 . 19 1 1 A 29 29 PRO C C 29 177.459 176.313 1.146 1
1 310 . 19 1 1 A 29 29 PRO CA C 29 62.872 64.971 -2.099 1
1 311 . 19 1 1 A 29 29 PRO CB C 29 32.813 31.942 0.871 1
1 314 . 19 1 1 A 30 30 ARG H H 30 9.132 7.698 1.434 1
1 315 . 19 1 1 A 30 30 ARG HA H 30 4.087 4.419 -0.332 1
1 322 . 19 1 1 A 30 30 ARG CA C 30 55.102 54.800 0.302 1
1 323 . 19 1 1 A 30 30 ARG CB C 30 29.469 29.708 -0.239 1
1 326 . 19 1 1 A 30 30 ARG N N 30 127.589 119.256 8.333 1
1 327 . 19 1 1 A 31 31 PRO HA H 31 4.242 4.328 -0.086 1
1 334 . 19 1 1 A 31 31 PRO C C 31 177.828 178.142 -0.314 1
1 335 . 19 1 1 A 31 31 PRO CA C 31 64.202 65.194 -0.992 1
1 336 . 19 1 1 A 31 31 PRO CB C 31 31.518 31.797 -0.279 1
1 339 . 19 1 1 A 32 32 GLY H H 32 8.773 8.454 0.319 1
1 340 . 19 1 1 A 32 32 GLY HA2 H 32 4.065 3.941 0.124 1
1 341 . 19 1 1 A 32 32 GLY HA3 H 32 3.706 3.944 -0.238 1
1 342 . 19 1 1 A 32 32 GLY C C 32 173.340 174.732 -1.392 1
1 343 . 19 1 1 A 32 32 GLY CA C 32 45.272 45.395 -0.123 1
1 344 . 19 1 1 A 32 32 GLY N N 32 111.942 105.399 6.543 1
1 345 . 19 1 1 A 33 33 CYS H H 33 7.749 7.944 -0.195 1
1 346 . 19 1 1 A 33 33 CYS HA H 33 4.528 4.648 -0.120 1
1 349 . 19 1 1 A 33 33 CYS CA C 33 60.515 59.363 1.152 1
1 350 . 19 1 1 A 33 33 CYS CB C 33 29.641 29.125 0.516 1
1 351 . 19 1 1 A 33 33 CYS N N 33 123.343 118.693 4.650 1
1 352 . 19 1 1 A 34 34 GLY H H 34 8.351 8.213 0.138 1
1 353 . 19 1 1 A 34 34 GLY HA2 H 34 4.120 3.766 0.354 1
1 354 . 19 1 1 A 34 34 GLY HA3 H 34 3.911 3.782 0.129 1
1 355 . 19 1 1 A 34 34 GLY C C 34 173.849 175.070 -1.221 1
1 356 . 19 1 1 A 34 34 GLY CA C 34 46.225 46.722 -0.497 1
1 357 . 19 1 1 A 34 34 GLY N N 34 106.570 107.726 -1.156 1
1 358 . 19 1 1 A 35 35 ALA H H 35 8.591 8.556 0.035 1
1 359 . 19 1 1 A 35 35 ALA HA H 35 4.091 4.421 -0.330 1
1 363 . 19 1 1 A 35 35 ALA C C 35 176.818 178.513 -1.695 1
1 364 . 19 1 1 A 35 35 ALA CA C 35 53.757 52.442 1.315 1
1 365 . 19 1 1 A 35 35 ALA CB C 35 20.271 20.783 -0.512 1
1 366 . 19 1 1 A 35 35 ALA N N 35 125.109 125.383 -0.274 1
1 367 . 19 1 1 A 36 36 GLY H H 36 8.348 8.018 0.330 1
1 368 . 19 1 1 A 36 36 GLY HA2 H 36 4.412 3.903 0.509 1
1 369 . 19 1 1 A 36 36 GLY HA3 H 36 3.479 3.904 -0.425 1
1 370 . 19 1 1 A 36 36 GLY C C 36 177.324 174.314 3.010 1
1 371 . 19 1 1 A 36 36 GLY CA C 36 45.847 46.694 -0.847 1
1 372 . 19 1 1 A 36 36 GLY N N 36 106.607 107.901 -1.294 1
1 373 . 19 1 1 A 37 37 LEU H H 37 8.190 7.733 0.457 1
1 374 . 19 1 1 A 37 37 LEU HA H 37 4.753 4.626 0.127 1
1 384 . 19 1 1 A 37 37 LEU C C 37 177.064 175.885 1.179 1
1 385 . 19 1 1 A 37 37 LEU CB C 37 44.730 42.899 1.831 1
1 389 . 19 1 1 A 37 37 LEU N N 37 123.541 117.239 6.302 1
1 390 . 19 1 1 A 38 38 LEU H H 38 8.210 8.631 -0.421 1
1 391 . 19 1 1 A 38 38 LEU HA H 38 4.981 4.372 0.609 1
1 401 . 19 1 1 A 38 38 LEU CA C 38 51.755 53.356 -1.601 1
1 402 . 19 1 1 A 38 38 LEU CB C 38 42.309 42.882 -0.573 1
1 405 . 19 1 1 A 38 38 LEU N N 38 124.280 126.780 -2.500 1
1 406 . 19 1 1 A 39 39 PRO HA H 39 4.600 4.472 0.128 1
1 413 . 19 1 1 A 39 39 PRO C C 39 176.647 176.640 0.007 1
1 414 . 19 1 1 A 39 39 PRO CA C 39 62.130 62.278 -0.148 1
1 415 . 19 1 1 A 39 39 PRO CB C 39 32.686 32.121 0.565 1
1 418 . 19 1 1 A 40 40 GLU H H 40 8.631 8.540 0.091 1
1 419 . 19 1 1 A 40 40 GLU HA H 40 4.485 4.407 0.078 1
1 424 . 19 1 1 A 40 40 GLU CA C 40 55.067 55.127 -0.060 1
1 425 . 19 1 1 A 40 40 GLU CB C 40 29.310 29.401 -0.091 1
1 426 . 19 1 1 A 40 40 GLU N N 40 122.240 121.049 1.191 1
1 427 . 19 1 1 A 41 41 PRO HA H 41 3.869 4.455 -0.586 1
1 434 . 19 1 1 A 41 41 PRO C C 41 176.908 175.757 1.151 1
1 435 . 19 1 1 A 41 41 PRO CA C 41 64.772 63.952 0.820 1
1 436 . 19 1 1 A 41 41 PRO CB C 41 32.172 31.374 0.798 1
1 439 . 19 1 1 A 42 42 ASP H H 42 8.486 7.738 0.748 1
1 440 . 19 1 1 A 42 42 ASP HA H 42 4.456 4.848 -0.392 1
1 443 . 19 1 1 A 42 42 ASP C C 42 175.265 176.089 -0.824 1
1 444 . 19 1 1 A 42 42 ASP CA C 42 54.480 52.891 1.589 1
1 445 . 19 1 1 A 42 42 ASP CB C 42 40.139 41.612 -1.473 1
1 446 . 19 1 1 A 42 42 ASP N N 42 114.895 120.214 -5.319 1
1 447 . 19 1 1 A 43 43 GLN H H 43 7.280 8.800 -1.520 1
1 448 . 19 1 1 A 43 43 GLN HA H 43 4.420 4.021 0.399 1
1 455 . 19 1 1 A 43 43 GLN CA C 43 54.877 58.302 -3.425 1
1 456 . 19 1 1 A 43 43 GLN CB C 43 30.219 28.039 2.180 1
1 458 . 19 1 1 A 43 43 GLN N N 43 118.523 125.491 -6.968 1
1 460 . 19 1 1 A 44 44 ARG H H 44 8.207 7.749 0.458 1
1 461 . 19 1 1 A 44 44 ARG HA H 44 4.206 4.077 0.129 1
1 468 . 19 1 1 A 44 44 ARG C C 44 175.581 176.835 -1.254 1
1 469 . 19 1 1 A 44 44 ARG CA C 44 58.285 59.278 -0.993 1
1 470 . 19 1 1 A 44 44 ARG CB C 44 32.175 30.059 2.116 1
1 473 . 19 1 1 A 44 44 ARG N N 44 120.127 118.760 1.367 1
1 474 . 19 1 1 A 45 45 LYS H H 45 7.909 7.204 0.705 1
1 475 . 19 1 1 A 45 45 LYS HA H 45 3.985 4.787 -0.802 1
1 484 . 19 1 1 A 45 45 LYS C C 45 174.753 174.182 0.571 1
1 485 . 19 1 1 A 45 45 LYS CA C 45 56.378 55.769 0.609 1
1 486 . 19 1 1 A 45 45 LYS CB C 45 32.190 35.390 -3.200 1
1 490 . 19 1 1 A 45 45 LYS N N 45 118.935 117.659 1.276 1
1 491 . 19 1 1 A 46 46 VAL H H 46 8.574 8.516 0.058 1
1 492 . 19 1 1 A 46 46 VAL HA H 46 3.870 4.752 -0.882 1
1 500 . 19 1 1 A 46 46 VAL C C 46 173.589 174.683 -1.094 1
1 501 . 19 1 1 A 46 46 VAL CA C 46 60.777 60.030 0.747 1
1 502 . 19 1 1 A 46 46 VAL CB C 46 32.263 33.769 -1.506 1
1 505 . 19 1 1 A 46 46 VAL N N 46 130.468 122.183 8.285 1
1 506 . 19 1 1 A 47 47 THR H H 47 8.098 8.824 -0.726 1
1 507 . 19 1 1 A 47 47 THR HA H 47 4.864 4.469 0.395 1
1 512 . 19 1 1 A 47 47 THR C C 47 173.666 174.744 -1.078 1
1 513 . 19 1 1 A 47 47 THR CA C 47 61.070 62.063 -0.993 1
1 514 . 19 1 1 A 47 47 THR CB C 47 69.693 69.795 -0.102 1
1 516 . 19 1 1 A 47 47 THR N N 47 120.392 121.168 -0.776 1
1 517 . 19 1 1 A 48 48 CYS H H 48 8.928 8.799 0.129 1
1 518 . 19 1 1 A 48 48 CYS HA H 48 4.581 5.048 -0.467 1
1 521 . 19 1 1 A 48 48 CYS C C 48 174.212 174.275 -0.063 1
1 522 . 19 1 1 A 48 48 CYS CA C 48 59.848 58.626 1.222 1
1 523 . 19 1 1 A 48 48 CYS CB C 48 29.425 28.696 0.729 1
1 524 . 19 1 1 A 48 48 CYS N N 48 130.472 122.025 8.447 1
1 525 . 19 1 1 A 49 49 GLU H H 49 7.552 7.975 -0.423 1
1 526 . 19 1 1 A 49 49 GLU HA H 49 4.647 5.237 -0.590 1
1 531 . 19 1 1 A 49 49 GLU C C 49 175.297 174.946 0.351 1
1 532 . 19 1 1 A 49 49 GLU CA C 49 55.852 54.576 1.276 1
1 533 . 19 1 1 A 49 49 GLU CB C 49 31.404 33.219 -1.815 1
1 535 . 19 1 1 A 49 49 GLU N N 49 128.705 118.291 10.414 1
1 536 . 19 1 1 A 50 50 GLY H H 50 8.459 8.209 0.250 1
1 537 . 19 1 1 A 50 50 GLY HA2 H 50 4.128 4.113 0.015 1
1 538 . 19 1 1 A 50 50 GLY HA3 H 50 3.916 4.114 -0.198 1
1 539 . 19 1 1 A 50 50 GLY C C 50 174.247 174.174 0.073 1
1 540 . 19 1 1 A 50 50 GLY CA C 50 45.243 44.147 1.096 1
1 541 . 19 1 1 A 50 50 GLY N N 50 109.953 107.826 2.127 1
1 542 . 19 1 1 A 51 51 GLY H H 51 8.548 8.528 0.020 1
1 543 . 19 1 1 A 51 51 GLY HA2 H 51 3.991 3.883 0.108 1
1 544 . 19 1 1 A 51 51 GLY HA3 H 51 3.991 3.891 0.100 1
1 545 . 19 1 1 A 51 51 GLY C C 51 174.381 175.197 -0.816 1
1 546 . 19 1 1 A 51 51 GLY CA C 51 45.714 47.363 -1.649 1
1 547 . 19 1 1 A 51 51 GLY N N 51 109.074 108.475 0.599 1
1 548 . 19 1 1 A 52 52 ASN H H 52 8.740 8.908 -0.168 1
1 549 . 19 1 1 A 52 52 ASN HA H 52 4.566 4.663 -0.097 1
1 554 . 19 1 1 A 52 52 ASN C C 52 175.686 175.927 -0.241 1
1 555 . 19 1 1 A 52 52 ASN CA C 52 53.618 55.157 -1.539 1
1 556 . 19 1 1 A 52 52 ASN CB C 52 38.009 39.519 -1.510 1
1 557 . 19 1 1 A 52 52 ASN N N 52 118.415 122.521 -4.106 1
1 559 . 19 1 1 A 53 53 GLY H H 53 8.367 7.119 1.248 1
1 560 . 19 1 1 A 53 53 GLY HA2 H 53 4.101 4.063 0.038 1
1 561 . 19 1 1 A 53 53 GLY HA3 H 53 3.808 4.064 -0.256 1
1 562 . 19 1 1 A 53 53 GLY C C 53 174.323 174.877 -0.554 1
1 563 . 19 1 1 A 53 53 GLY CA C 53 45.675 45.510 0.165 1
1 564 . 19 1 1 A 53 53 GLY N N 53 107.419 106.581 0.838 1
1 565 . 19 1 1 A 54 54 LEU H H 54 7.703 7.887 -0.184 1
1 566 . 19 1 1 A 54 54 LEU HA H 54 4.405 4.254 0.151 1
1 576 . 19 1 1 A 54 54 LEU C C 54 177.359 176.728 0.631 1
1 577 . 19 1 1 A 54 54 LEU CA C 54 55.162 55.562 -0.400 1
1 578 . 19 1 1 A 54 54 LEU CB C 54 42.742 42.209 0.533 1
1 582 . 19 1 1 A 54 54 LEU N N 54 121.020 122.976 -1.956 1
1 583 . 19 1 1 A 55 55 GLY H H 55 8.265 8.383 -0.118 1
1 584 . 19 1 1 A 55 55 GLY HA2 H 55 4.112 4.177 -0.065 1
1 585 . 19 1 1 A 55 55 GLY HA3 H 55 4.112 4.191 -0.079 1
1 586 . 19 1 1 A 55 55 GLY C C 55 174.453 174.422 0.031 1
1 587 . 19 1 1 A 55 55 GLY CA C 55 45.438 45.701 -0.263 1
1 588 . 19 1 1 A 55 55 GLY N N 55 109.910 108.298 1.612 1
1 589 . 19 1 1 A 56 56 CYS H H 56 10.071 8.820 1.251 1
1 590 . 19 1 1 A 56 56 CYS HA H 56 4.928 4.294 0.634 1
1 593 . 19 1 1 A 56 56 CYS C C 56 177.993 174.958 3.035 1
1 594 . 19 1 1 A 56 56 CYS CA C 56 59.541 61.211 -1.670 1
1 595 . 19 1 1 A 56 56 CYS CB C 56 32.099 28.405 3.694 1
1 596 . 19 1 1 A 56 56 CYS N N 56 124.504 122.840 1.664 1
1 597 . 19 1 1 A 57 57 GLY H H 57 9.174 7.966 1.208 1
1 598 . 19 1 1 A 57 57 GLY HA2 H 57 4.313 4.078 0.235 1
1 599 . 19 1 1 A 57 57 GLY HA3 H 57 3.668 4.095 -0.427 1
1 600 . 19 1 1 A 57 57 GLY C C 57 173.686 173.811 -0.125 1
1 601 . 19 1 1 A 57 57 GLY CA C 57 45.860 45.136 0.724 1
1 602 . 19 1 1 A 57 57 GLY N N 57 114.428 107.597 6.831 1
1 603 . 19 1 1 A 58 58 PHE H H 58 9.036 7.796 1.240 1
1 604 . 19 1 1 A 58 58 PHE HA H 58 4.623 4.852 -0.229 1
1 611 . 19 1 1 A 58 58 PHE C C 58 173.896 173.936 -0.040 1
1 612 . 19 1 1 A 58 58 PHE CA C 58 58.969 57.379 1.590 1
1 613 . 19 1 1 A 58 58 PHE CB C 58 41.132 42.544 -1.412 1
1 614 . 19 1 1 A 58 58 PHE N N 58 125.130 119.454 5.676 1
1 615 . 19 1 1 A 59 59 ALA H H 59 7.570 8.136 -0.566 1
1 616 . 19 1 1 A 59 59 ALA HA H 59 5.486 5.069 0.417 1
1 620 . 19 1 1 A 59 59 ALA C C 59 176.469 177.471 -1.002 1
1 621 . 19 1 1 A 59 59 ALA CA C 59 49.817 51.672 -1.855 1
1 622 . 19 1 1 A 59 59 ALA CB C 59 19.826 19.655 0.171 1
1 623 . 19 1 1 A 59 59 ALA N N 59 128.638 129.092 -0.454 1
1 624 . 19 1 1 A 60 60 PHE H H 60 9.387 8.487 0.900 1
1 625 . 19 1 1 A 60 60 PHE HA H 60 5.204 5.553 -0.349 1
1 632 . 19 1 1 A 60 60 PHE C C 60 172.955 172.500 0.455 1
1 633 . 19 1 1 A 60 60 PHE CA C 60 54.353 55.338 -0.985 1
1 634 . 19 1 1 A 60 60 PHE CB C 60 42.246 41.626 0.620 1
1 637 . 19 1 1 A 60 60 PHE N N 60 121.410 116.835 4.575 1
1 638 . 19 1 1 A 61 61 CYS H H 61 8.772 8.874 -0.102 1
1 639 . 19 1 1 A 61 61 CYS HA H 61 4.754 4.884 -0.130 1
1 642 . 19 1 1 A 61 61 CYS C C 61 177.353 175.101 2.252 1
1 643 . 19 1 1 A 61 61 CYS CA C 61 58.032 57.200 0.832 1
1 644 . 19 1 1 A 61 61 CYS CB C 61 32.242 30.320 1.922 1
1 645 . 19 1 1 A 61 61 CYS N N 61 120.610 120.427 0.183 1
1 646 . 19 1 1 A 62 62 ARG H H 62 9.535 8.651 0.884 1
1 647 . 19 1 1 A 62 62 ARG HA H 62 4.027 3.980 0.047 1
1 654 . 19 1 1 A 62 62 ARG C C 62 175.657 177.630 -1.973 1
1 655 . 19 1 1 A 62 62 ARG CA C 62 59.330 59.439 -0.109 1
1 656 . 19 1 1 A 62 62 ARG CB C 62 31.196 30.057 1.139 1
1 659 . 19 1 1 A 62 62 ARG N N 62 130.041 127.609 2.432 1
1 660 . 19 1 1 A 63 63 GLU H H 63 8.721 8.168 0.553 1
1 661 . 19 1 1 A 63 63 GLU HA H 63 4.394 4.117 0.277 1
1 666 . 19 1 1 A 63 63 GLU C C 63 177.341 177.998 -0.657 1
1 667 . 19 1 1 A 63 63 GLU CA C 63 58.404 59.437 -1.033 1
1 668 . 19 1 1 A 63 63 GLU CB C 63 30.501 29.267 1.234 1
1 670 . 19 1 1 A 63 63 GLU N N 63 118.534 119.650 -1.116 1
1 671 . 19 1 1 A 64 64 CYS H H 64 8.050 7.778 0.272 1
1 672 . 19 1 1 A 64 64 CYS HA H 64 4.962 4.527 0.435 1
1 675 . 19 1 1 A 64 64 CYS C C 64 176.019 175.466 0.553 1
1 676 . 19 1 1 A 64 64 CYS CA C 64 58.858 58.284 0.574 1
1 677 . 19 1 1 A 64 64 CYS CB C 64 32.103 27.487 4.616 1
1 678 . 19 1 1 A 64 64 CYS N N 64 116.495 114.671 1.824 1
1 679 . 19 1 1 A 65 65 LYS H H 65 8.489 8.090 0.399 1
1 680 . 19 1 1 A 65 65 LYS HA H 65 4.191 4.569 -0.378 1
1 687 . 19 1 1 A 65 65 LYS C C 65 174.742 175.354 -0.612 1
1 688 . 19 1 1 A 65 65 LYS CA C 65 58.883 57.258 1.625 1
1 689 . 19 1 1 A 65 65 LYS CB C 65 28.865 30.176 -1.311 1
1 693 . 19 1 1 A 65 65 LYS N N 65 117.320 120.396 -3.076 1
1 694 . 19 1 1 A 66 66 GLU H H 66 8.272 7.398 0.874 1
1 695 . 19 1 1 A 66 66 GLU HA H 66 4.721 4.878 -0.157 1
1 700 . 19 1 1 A 66 66 GLU C C 66 175.422 175.752 -0.330 1
1 701 . 19 1 1 A 66 66 GLU CA C 66 55.285 54.301 0.984 1
1 702 . 19 1 1 A 66 66 GLU CB C 66 31.666 33.316 -1.650 1
1 704 . 19 1 1 A 66 66 GLU N N 66 117.719 119.572 -1.853 1
1 705 . 19 1 1 A 67 67 ALA H H 67 8.766 8.449 0.317 1
1 706 . 19 1 1 A 67 67 ALA HA H 67 4.177 4.452 -0.275 1
1 710 . 19 1 1 A 67 67 ALA C C 67 177.459 177.072 0.387 1
1 711 . 19 1 1 A 67 67 ALA CA C 67 53.019 53.086 -0.067 1
1 712 . 19 1 1 A 67 67 ALA CB C 67 18.548 18.978 -0.430 1
1 713 . 19 1 1 A 67 67 ALA N N 67 120.597 124.322 -3.725 1
1 714 . 19 1 1 A 68 68 TYR H H 68 8.061 9.086 -1.025 1
1 715 . 19 1 1 A 68 68 TYR HA H 68 4.531 4.338 0.193 1
1 722 . 19 1 1 A 68 68 TYR CA C 68 58.242 58.743 -0.501 1
1 723 . 19 1 1 A 68 68 TYR CB C 68 38.531 39.077 -0.546 1
1 728 . 19 1 1 A 68 68 TYR N N 68 120.592 122.741 -2.149 1
1 729 . 19 1 1 A 69 69 HIS HA H 69 4.643 4.486 0.157 1
1 734 . 19 1 1 A 69 69 HIS C C 69 173.158 175.249 -2.091 1
1 735 . 19 1 1 A 69 69 HIS CA C 69 51.310 57.094 -5.784 1
1 736 . 19 1 1 A 69 69 HIS CB C 69 32.038 30.695 1.343 1
1 739 . 19 1 1 A 70 70 GLU H H 70 8.796 8.043 0.753 1
1 740 . 19 1 1 A 70 70 GLU HA H 70 4.238 3.732 0.506 1
1 745 . 19 1 1 A 70 70 GLU C C 70 178.838 175.499 3.339 1
1 746 . 19 1 1 A 70 70 GLU CA C 70 55.450 57.422 -1.972 1
1 747 . 19 1 1 A 70 70 GLU CB C 70 30.527 28.603 1.924 1
1 749 . 19 1 1 A 70 70 GLU N N 70 120.194 118.796 1.398 1
1 750 . 19 1 1 A 71 71 GLY H H 71 8.876 7.753 1.123 1
1 751 . 19 1 1 A 71 71 GLY HA2 H 71 4.082 4.039 0.043 1
1 752 . 19 1 1 A 71 71 GLY HA3 H 71 3.910 4.100 -0.190 1
1 753 . 19 1 1 A 71 71 GLY C C 71 173.634 171.934 1.700 1
1 754 . 19 1 1 A 71 71 GLY CA C 71 45.615 45.920 -0.305 1
1 755 . 19 1 1 A 71 71 GLY N N 71 111.118 105.794 5.324 1
1 756 . 19 1 1 A 72 72 GLU H H 72 8.391 8.583 -0.192 1
1 757 . 19 1 1 A 72 72 GLU HA H 72 4.360 4.768 -0.408 1
1 762 . 19 1 1 A 72 72 GLU C C 72 177.319 176.275 1.044 1
1 763 . 19 1 1 A 72 72 GLU CA C 72 56.571 54.551 2.020 1
1 764 . 19 1 1 A 72 72 GLU CB C 72 30.411 32.516 -2.105 1
1 766 . 19 1 1 A 72 72 GLU N N 72 118.939 119.768 -0.829 1
1 767 . 19 1 1 A 73 73 CYS H H 73 8.574 8.863 -0.289 1
1 768 . 19 1 1 A 73 73 CYS HA H 73 3.770 4.087 -0.317 1
1 771 . 19 1 1 A 73 73 CYS C C 73 176.052 176.751 -0.699 1
1 772 . 19 1 1 A 73 73 CYS CA C 73 60.416 62.085 -1.669 1
1 773 . 19 1 1 A 73 73 CYS CB C 73 30.793 26.814 3.979 1
1 774 . 19 1 1 A 73 73 CYS N N 73 123.479 123.494 -0.015 1
1 775 . 19 1 1 A 74 74 SER H H 74 8.541 8.346 0.195 1
1 776 . 19 1 1 A 74 74 SER HA H 74 4.288 4.045 0.243 1
1 779 . 19 1 1 A 74 74 SER C C 74 174.140 176.379 -2.239 1
1 780 . 19 1 1 A 74 74 SER CA C 74 58.591 61.569 -2.978 1
1 781 . 19 1 1 A 74 74 SER CB C 74 63.626 62.943 0.683 1
1 782 . 19 1 1 A 74 74 SER N N 74 117.297 115.549 1.748 1
1 783 . 19 1 1 A 75 75 ALA H H 75 8.092 7.680 0.412 1
1 784 . 19 1 1 A 75 75 ALA HA H 75 4.312 4.170 0.142 1
1 788 . 19 1 1 A 75 75 ALA C C 75 177.173 178.318 -1.145 1
1 789 . 19 1 1 A 75 75 ALA CA C 75 52.403 52.784 -0.381 1
1 790 . 19 1 1 A 75 75 ALA CB C 75 19.546 18.936 0.610 1
1 791 . 19 1 1 A 75 75 ALA N N 75 125.952 121.939 4.013 1
1 792 . 19 1 1 A 76 76 VAL H H 76 7.934 8.755 -0.821 1
1 793 . 19 1 1 A 76 76 VAL HA H 76 4.028 3.891 0.137 1
1 801 . 19 1 1 A 76 76 VAL C C 76 175.784 175.424 0.360 1
1 802 . 19 1 1 A 76 76 VAL CA C 76 62.265 64.096 -1.831 1
1 803 . 19 1 1 A 76 76 VAL CB C 76 32.893 31.686 1.207 1
1 806 . 19 1 1 A 76 76 VAL N N 76 118.959 124.465 -5.506 1
1 807 . 19 1 1 A 77 77 PHE H H 77 8.283 8.085 0.198 1
1 808 . 19 1 1 A 77 77 PHE HA H 77 4.670 4.114 0.556 1
1 813 . 19 1 1 A 77 77 PHE C C 77 175.335 174.319 1.016 1
1 814 . 19 1 1 A 77 77 PHE CA C 77 57.588 58.852 -1.264 1
1 815 . 19 1 1 A 77 77 PHE CB C 77 39.899 37.510 2.389 1
1 818 . 19 1 1 A 77 77 PHE N N 77 124.298 121.041 3.257 1
1 819 . 19 1 1 A 78 78 GLU H H 78 8.262 7.717 0.545 1
1 820 . 19 1 1 A 78 78 GLU HA H 78 4.251 4.532 -0.281 1
1 825 . 19 1 1 A 78 78 GLU C C 78 175.451 176.505 -1.054 1
1 826 . 19 1 1 A 78 78 GLU CA C 78 56.179 54.201 1.978 1
1 827 . 19 1 1 A 78 78 GLU CB C 78 30.676 33.652 -2.976 1
1 829 . 19 1 1 A 78 78 GLU N N 78 123.482 117.531 5.951 1
1 830 . 19 1 1 A 79 79 ALA H H 79 8.279 8.826 -0.547 1
1 831 . 19 1 1 A 79 79 ALA HA H 79 4.341 4.066 0.275 1
1 835 . 19 1 1 A 79 79 ALA C C 79 176.767 179.608 -2.841 1
1 836 . 19 1 1 A 79 79 ALA CA C 79 52.512 55.648 -3.136 1
1 837 . 19 1 1 A 79 79 ALA CB C 79 19.493 18.391 1.102 1
1 838 . 19 1 1 A 79 79 ALA N N 79 126.363 124.199 2.164 1
1 6 . 20 1 1 A 2 2 HIS H H 2 7.929 8.683 -0.754 1
1 9 . 20 1 1 A 2 2 HIS CB C 2 31.017 32.955 -1.938 1
1 12 . 20 1 1 A 2 2 HIS N N 2 118.946 122.390 -3.444 1
1 13 . 20 1 1 A 3 3 MET HA H 3 4.537 5.116 -0.579 1
1 16 . 20 1 1 A 3 3 MET C C 3 176.240 175.097 1.143 1
1 17 . 20 1 1 A 3 3 MET CA C 3 55.681 54.182 1.499 1
1 18 . 20 1 1 A 3 3 MET CB C 3 33.063 37.427 -4.364 1
1 20 . 20 1 1 A 4 4 GLY H H 4 8.155 8.403 -0.248 1
1 21 . 20 1 1 A 4 4 GLY HA2 H 4 4.031 4.066 -0.035 1
1 22 . 20 1 1 A 4 4 GLY HA3 H 4 4.031 4.067 -0.036 1
1 23 . 20 1 1 A 4 4 GLY C C 4 174.348 174.643 -0.295 1
1 24 . 20 1 1 A 4 4 GLY CA C 4 45.418 45.180 0.238 1
1 25 . 20 1 1 A 4 4 GLY N N 4 108.673 109.091 -0.418 1
1 26 . 20 1 1 A 5 5 GLU H H 5 8.351 7.957 0.394 1
1 27 . 20 1 1 A 5 5 GLU HA H 5 4.275 4.267 0.008 1
1 32 . 20 1 1 A 5 5 GLU C C 5 177.037 176.205 0.832 1
1 33 . 20 1 1 A 5 5 GLU CA C 5 57.098 55.927 1.171 1
1 34 . 20 1 1 A 5 5 GLU CB C 5 30.282 28.770 1.512 1
1 36 . 20 1 1 A 5 5 GLU N N 5 120.605 119.013 1.592 1
1 37 . 20 1 1 A 6 6 GLU H H 6 8.641 7.743 0.898 1
1 38 . 20 1 1 A 6 6 GLU HA H 6 4.248 4.371 -0.123 1
1 43 . 20 1 1 A 6 6 GLU C C 6 176.799 176.513 0.286 1
1 44 . 20 1 1 A 6 6 GLU CA C 6 57.344 56.496 0.848 1
1 45 . 20 1 1 A 6 6 GLU CB C 6 29.842 30.347 -0.505 1
1 47 . 20 1 1 A 6 6 GLU N N 6 121.425 120.451 0.974 1
1 48 . 20 1 1 A 7 7 GLN H H 7 8.304 8.504 -0.200 1
1 53 . 20 1 1 A 7 7 GLN C C 7 175.537 175.861 -0.324 1
1 54 . 20 1 1 A 7 7 GLN CA C 7 56.292 55.906 0.386 1
1 55 . 20 1 1 A 7 7 GLN CB C 7 29.164 29.484 -0.320 1
1 57 . 20 1 1 A 7 7 GLN N N 7 120.185 120.955 -0.770 1
1 59 . 20 1 1 A 8 8 TYR H H 8 8.221 8.650 -0.429 1
1 60 . 20 1 1 A 8 8 TYR HA H 8 4.606 4.639 -0.033 1
1 67 . 20 1 1 A 8 8 TYR C C 8 175.728 175.933 -0.205 1
1 68 . 20 1 1 A 8 8 TYR CA C 8 58.138 59.098 -0.960 1
1 69 . 20 1 1 A 8 8 TYR CB C 8 38.766 39.063 -0.297 1
1 70 . 20 1 1 A 8 8 TYR N N 8 120.918 120.798 0.120 1
1 71 . 20 1 1 A 9 9 ASN H H 9 8.288 8.943 -0.655 1
1 72 . 20 1 1 A 9 9 ASN HA H 9 4.654 4.759 -0.105 1
1 77 . 20 1 1 A 9 9 ASN C C 9 175.439 174.625 0.814 1
1 78 . 20 1 1 A 9 9 ASN CA C 9 53.435 53.158 0.277 1
1 79 . 20 1 1 A 9 9 ASN CB C 9 38.790 39.488 -0.698 1
1 80 . 20 1 1 A 9 9 ASN N N 9 120.180 122.025 -1.845 1
1 82 . 20 1 1 A 10 10 ARG H H 10 8.128 8.558 -0.430 1
1 83 . 20 1 1 A 10 10 ARG HA H 10 4.171 4.756 -0.585 1
1 90 . 20 1 1 A 10 10 ARG C C 10 176.244 174.051 2.193 1
1 91 . 20 1 1 A 10 10 ARG CA C 10 57.023 55.360 1.663 1
1 92 . 20 1 1 A 10 10 ARG CB C 10 30.535 34.298 -3.763 1
1 95 . 20 1 1 A 10 10 ARG N N 10 121.014 122.144 -1.130 1
1 96 . 20 1 1 A 11 11 TYR H H 11 8.108 8.817 -0.709 1
1 97 . 20 1 1 A 11 11 TYR HA H 11 4.543 4.963 -0.420 1
1 104 . 20 1 1 A 11 11 TYR C C 11 175.929 176.913 -0.984 1
1 105 . 20 1 1 A 11 11 TYR CA C 11 58.219 58.054 0.165 1
1 106 . 20 1 1 A 11 11 TYR CB C 11 38.365 39.766 -1.401 1
1 107 . 20 1 1 A 11 11 TYR N N 11 119.776 124.532 -4.756 1
1 108 . 20 1 1 A 12 12 GLN H H 12 8.050 9.167 -1.117 1
1 109 . 20 1 1 A 12 12 GLN HA H 12 4.269 4.012 0.257 1
1 116 . 20 1 1 A 12 12 GLN C C 12 175.917 175.900 0.017 1
1 117 . 20 1 1 A 12 12 GLN CA C 12 56.240 58.723 -2.483 1
1 118 . 20 1 1 A 12 12 GLN CB C 12 29.463 28.449 1.014 1
1 120 . 20 1 1 A 12 12 GLN N N 12 120.992 122.986 -1.994 1
1 122 . 20 1 1 A 13 13 GLN H H 13 8.065 8.165 -0.100 1
1 123 . 20 1 1 A 13 13 GLN HA H 13 4.202 3.893 0.309 1
1 130 . 20 1 1 A 13 13 GLN C C 13 175.644 174.162 1.482 1
1 131 . 20 1 1 A 13 13 GLN CA C 13 56.242 57.090 -0.848 1
1 132 . 20 1 1 A 13 13 GLN CB C 13 29.394 26.497 2.897 1
1 134 . 20 1 1 A 13 13 GLN N N 13 120.539 117.790 2.749 1
1 136 . 20 1 1 A 14 14 TYR H H 14 8.212 8.057 0.155 1
1 137 . 20 1 1 A 14 14 TYR HA H 14 4.572 4.741 -0.169 1
1 144 . 20 1 1 A 14 14 TYR C C 14 176.382 175.537 0.845 1
1 145 . 20 1 1 A 14 14 TYR CA C 14 57.958 57.629 0.329 1
1 146 . 20 1 1 A 14 14 TYR CB C 14 38.983 40.631 -1.648 1
1 151 . 20 1 1 A 14 14 TYR N N 14 120.582 119.336 1.246 1
1 152 . 20 1 1 A 15 15 GLY H H 15 8.405 8.283 0.122 1
1 153 . 20 1 1 A 15 15 GLY HA2 H 15 3.933 4.189 -0.256 1
1 154 . 20 1 1 A 15 15 GLY HA3 H 15 3.933 4.214 -0.281 1
1 155 . 20 1 1 A 15 15 GLY C C 15 173.776 172.109 1.667 1
1 156 . 20 1 1 A 15 15 GLY CA C 15 45.407 43.965 1.442 1
1 157 . 20 1 1 A 15 15 GLY N N 15 110.724 110.248 0.476 1
1 158 . 20 1 1 A 16 16 ALA H H 16 8.160 8.052 0.108 1
1 159 . 20 1 1 A 16 16 ALA HA H 16 4.302 5.043 -0.741 1
1 163 . 20 1 1 A 16 16 ALA C C 16 178.147 177.578 0.569 1
1 164 . 20 1 1 A 16 16 ALA CA C 16 53.034 50.364 2.670 1
1 165 . 20 1 1 A 16 16 ALA CB C 16 19.392 22.257 -2.865 1
1 166 . 20 1 1 A 16 16 ALA N N 16 123.489 120.295 3.194 1
1 167 . 20 1 1 A 17 17 GLU H H 17 8.612 8.600 0.012 1
1 168 . 20 1 1 A 17 17 GLU HA H 17 4.169 4.289 -0.120 1
1 173 . 20 1 1 A 17 17 GLU C C 17 177.000 177.094 -0.094 1
1 174 . 20 1 1 A 17 17 GLU CA C 17 57.837 58.182 -0.345 1
1 175 . 20 1 1 A 17 17 GLU CB C 17 29.881 30.642 -0.761 1
1 177 . 20 1 1 A 17 17 GLU N N 17 119.373 120.869 -1.496 1
1 178 . 20 1 1 A 18 18 GLU H H 18 8.413 7.904 0.509 1
1 179 . 20 1 1 A 18 18 GLU HA H 18 4.210 4.428 -0.218 1
1 184 . 20 1 1 A 18 18 GLU C C 18 177.015 175.971 1.044 1
1 185 . 20 1 1 A 18 18 GLU CA C 18 57.641 57.092 0.549 1
1 186 . 20 1 1 A 18 18 GLU CB C 18 29.980 30.261 -0.281 1
1 188 . 20 1 1 A 18 18 GLU N N 18 120.184 119.097 1.087 1
1 189 . 20 1 1 A 19 19 CYS H H 19 8.253 8.613 -0.360 1
1 190 . 20 1 1 A 19 19 CYS HA H 19 4.381 4.720 -0.339 1
1 193 . 20 1 1 A 19 19 CYS C C 19 175.552 174.425 1.127 1
1 194 . 20 1 1 A 19 19 CYS CA C 19 59.819 58.889 0.930 1
1 195 . 20 1 1 A 19 19 CYS CB C 19 27.554 30.055 -2.501 1
1 196 . 20 1 1 A 19 19 CYS N N 19 119.775 121.854 -2.079 1
1 197 . 20 1 1 A 20 20 VAL H H 20 8.051 8.492 -0.441 1
1 198 . 20 1 1 A 20 20 VAL HA H 20 3.939 3.676 0.263 1
1 206 . 20 1 1 A 20 20 VAL C C 20 173.904 174.697 -0.793 1
1 207 . 20 1 1 A 20 20 VAL CA C 20 64.113 63.248 0.865 1
1 208 . 20 1 1 A 20 20 VAL CB C 20 32.316 29.657 2.659 1
1 211 . 20 1 1 A 20 20 VAL N N 20 121.008 122.983 -1.975 1
1 212 . 20 1 1 A 21 21 LEU H H 21 8.190 7.657 0.533 1
1 213 . 20 1 1 A 21 21 LEU HA H 21 4.648 4.762 -0.114 1
1 222 . 20 1 1 A 21 21 LEU CA C 21 54.565 53.301 1.264 1
1 223 . 20 1 1 A 21 21 LEU CB C 21 41.542 44.409 -2.867 1
1 225 . 20 1 1 A 21 21 LEU N N 21 123.470 121.623 1.847 1
1 226 . 20 1 1 A 22 22 GLN H H 22 8.322 8.229 0.093 1
1 227 . 20 1 1 A 22 22 GLN HA H 22 4.046 4.255 -0.209 1
1 230 . 20 1 1 A 22 22 GLN C C 22 176.428 175.495 0.933 1
1 231 . 20 1 1 A 22 22 GLN CA C 22 56.800 56.201 0.599 1
1 232 . 20 1 1 A 22 22 GLN CB C 22 29.116 29.581 -0.465 1
1 234 . 20 1 1 A 22 22 GLN N N 22 120.999 120.807 0.192 1
1 236 . 20 1 1 A 23 23 MET H H 23 7.958 8.521 -0.563 1
1 237 . 20 1 1 A 23 23 MET HA H 23 4.487 4.547 -0.060 1
1 245 . 20 1 1 A 23 23 MET C C 23 176.558 176.265 0.293 1
1 246 . 20 1 1 A 23 23 MET CA C 23 55.842 55.687 0.155 1
1 247 . 20 1 1 A 23 23 MET CB C 23 32.712 33.424 -0.712 1
1 250 . 20 1 1 A 23 23 MET N N 23 118.950 122.364 -3.414 1
1 251 . 20 1 1 A 24 24 GLY H H 24 8.549 8.261 0.288 1
1 252 . 20 1 1 A 24 24 GLY HA2 H 24 4.163 3.985 0.178 1
1 253 . 20 1 1 A 24 24 GLY HA3 H 24 3.919 3.990 -0.071 1
1 254 . 20 1 1 A 24 24 GLY C C 24 174.799 174.751 0.048 1
1 255 . 20 1 1 A 24 24 GLY CA C 24 45.547 45.537 0.010 1
1 256 . 20 1 1 A 24 24 GLY N N 24 110.724 111.191 -0.467 1
1 257 . 20 1 1 A 25 25 GLY H H 25 8.216 8.167 0.049 1
1 258 . 20 1 1 A 25 25 GLY HA2 H 25 4.455 3.969 0.486 1
1 259 . 20 1 1 A 25 25 GLY HA3 H 25 3.921 3.981 -0.060 1
1 260 . 20 1 1 A 25 25 GLY C C 25 172.658 173.240 -0.582 1
1 261 . 20 1 1 A 25 25 GLY CA C 25 45.087 46.743 -1.656 1
1 262 . 20 1 1 A 25 25 GLY N N 25 107.443 107.984 -0.541 1
1 263 . 20 1 1 A 26 26 VAL H H 26 8.726 8.471 0.255 1
1 264 . 20 1 1 A 26 26 VAL HA H 26 4.533 5.185 -0.652 1
1 272 . 20 1 1 A 26 26 VAL C C 26 172.923 174.522 -1.599 1
1 273 . 20 1 1 A 26 26 VAL CA C 26 59.864 59.182 0.682 1
1 274 . 20 1 1 A 26 26 VAL CB C 26 35.551 35.440 0.111 1
1 277 . 20 1 1 A 26 26 VAL N N 26 116.467 117.869 -1.402 1
1 278 . 20 1 1 A 27 27 LEU H H 27 8.201 8.806 -0.605 1
1 279 . 20 1 1 A 27 27 LEU HA H 27 5.057 5.023 0.034 1
1 289 . 20 1 1 A 27 27 LEU C C 27 176.746 175.384 1.362 1
1 290 . 20 1 1 A 27 27 LEU CA C 27 53.134 52.937 0.197 1
1 291 . 20 1 1 A 27 27 LEU CB C 27 42.926 45.729 -2.803 1
1 294 . 20 1 1 A 27 27 LEU N N 27 124.428 116.474 7.954 1
1 295 . 20 1 1 A 28 28 CYS H H 28 8.902 8.445 0.457 1
1 296 . 20 1 1 A 28 28 CYS HA H 28 4.158 4.267 -0.109 1
1 299 . 20 1 1 A 28 28 CYS CA C 28 57.728 57.893 -0.165 1
1 300 . 20 1 1 A 28 28 CYS CB C 28 32.175 27.730 4.445 1
1 301 . 20 1 1 A 28 28 CYS N N 28 127.173 120.038 7.135 1
1 302 . 20 1 1 A 29 29 PRO HA H 29 4.410 4.444 -0.034 1
1 309 . 20 1 1 A 29 29 PRO C C 29 177.459 176.299 1.160 1
1 310 . 20 1 1 A 29 29 PRO CA C 29 62.872 64.193 -1.321 1
1 311 . 20 1 1 A 29 29 PRO CB C 29 32.813 31.544 1.269 1
1 314 . 20 1 1 A 30 30 ARG H H 30 9.132 7.722 1.410 1
1 315 . 20 1 1 A 30 30 ARG HA H 30 4.087 4.434 -0.347 1
1 322 . 20 1 1 A 30 30 ARG CA C 30 55.102 54.412 0.690 1
1 323 . 20 1 1 A 30 30 ARG CB C 30 29.469 29.936 -0.467 1
1 326 . 20 1 1 A 30 30 ARG N N 30 127.589 121.092 6.497 1
1 327 . 20 1 1 A 31 31 PRO HA H 31 4.242 4.410 -0.168 1
1 334 . 20 1 1 A 31 31 PRO C C 31 177.828 177.445 0.383 1
1 335 . 20 1 1 A 31 31 PRO CA C 31 64.202 63.914 0.288 1
1 336 . 20 1 1 A 31 31 PRO CB C 31 31.518 31.846 -0.328 1
1 339 . 20 1 1 A 32 32 GLY H H 32 8.773 8.387 0.386 1
1 340 . 20 1 1 A 32 32 GLY HA2 H 32 4.065 3.956 0.109 1
1 341 . 20 1 1 A 32 32 GLY HA3 H 32 3.706 3.958 -0.252 1
1 342 . 20 1 1 A 32 32 GLY C C 32 173.340 174.140 -0.800 1
1 343 . 20 1 1 A 32 32 GLY CA C 32 45.272 46.070 -0.798 1
1 344 . 20 1 1 A 32 32 GLY N N 32 111.942 105.865 6.077 1
1 345 . 20 1 1 A 33 33 CYS H H 33 7.749 7.743 0.006 1
1 346 . 20 1 1 A 33 33 CYS HA H 33 4.528 4.568 -0.040 1
1 349 . 20 1 1 A 33 33 CYS CA C 33 60.515 57.933 2.582 1
1 350 . 20 1 1 A 33 33 CYS CB C 33 29.641 28.521 1.120 1
1 351 . 20 1 1 A 33 33 CYS N N 33 123.343 119.997 3.346 1
1 352 . 20 1 1 A 34 34 GLY H H 34 8.351 8.822 -0.471 1
1 353 . 20 1 1 A 34 34 GLY HA2 H 34 4.120 3.986 0.134 1
1 354 . 20 1 1 A 34 34 GLY HA3 H 34 3.911 3.995 -0.084 1
1 355 . 20 1 1 A 34 34 GLY C C 34 173.849 175.175 -1.326 1
1 356 . 20 1 1 A 34 34 GLY CA C 34 46.225 46.696 -0.471 1
1 357 . 20 1 1 A 34 34 GLY N N 34 106.570 115.690 -9.120 1
1 358 . 20 1 1 A 35 35 ALA H H 35 8.591 7.917 0.674 1
1 359 . 20 1 1 A 35 35 ALA HA H 35 4.091 3.968 0.123 1
1 363 . 20 1 1 A 35 35 ALA C C 35 176.818 178.168 -1.350 1
1 364 . 20 1 1 A 35 35 ALA CA C 35 53.757 55.234 -1.477 1
1 365 . 20 1 1 A 35 35 ALA CB C 35 20.271 18.549 1.722 1
1 366 . 20 1 1 A 35 35 ALA N N 35 125.109 124.712 0.397 1
1 367 . 20 1 1 A 36 36 GLY H H 36 8.348 8.091 0.257 1
1 368 . 20 1 1 A 36 36 GLY HA2 H 36 4.412 3.896 0.516 1
1 369 . 20 1 1 A 36 36 GLY HA3 H 36 3.479 3.904 -0.425 1
1 370 . 20 1 1 A 36 36 GLY C C 36 177.324 174.158 3.166 1
1 371 . 20 1 1 A 36 36 GLY CA C 36 45.847 47.089 -1.242 1
1 372 . 20 1 1 A 36 36 GLY N N 36 106.607 106.430 0.177 1
1 373 . 20 1 1 A 37 37 LEU H H 37 8.190 7.771 0.419 1
1 374 . 20 1 1 A 37 37 LEU HA H 37 4.753 4.906 -0.153 1
1 384 . 20 1 1 A 37 37 LEU C C 37 177.064 175.106 1.958 1
1 385 . 20 1 1 A 37 37 LEU CB C 37 44.730 44.266 0.464 1
1 389 . 20 1 1 A 37 37 LEU N N 37 123.541 117.001 6.540 1
1 390 . 20 1 1 A 38 38 LEU H H 38 8.210 8.770 -0.560 1
1 391 . 20 1 1 A 38 38 LEU HA H 38 4.981 4.937 0.044 1
1 401 . 20 1 1 A 38 38 LEU CA C 38 51.755 51.366 0.389 1
1 402 . 20 1 1 A 38 38 LEU CB C 38 42.309 43.430 -1.121 1
1 405 . 20 1 1 A 38 38 LEU N N 38 124.280 123.195 1.085 1
1 406 . 20 1 1 A 39 39 PRO HA H 39 4.600 4.564 0.036 1
1 413 . 20 1 1 A 39 39 PRO C C 39 176.647 176.346 0.301 1
1 414 . 20 1 1 A 39 39 PRO CA C 39 62.130 62.086 0.044 1
1 415 . 20 1 1 A 39 39 PRO CB C 39 32.686 32.845 -0.159 1
1 418 . 20 1 1 A 40 40 GLU H H 40 8.631 8.609 0.022 1
1 419 . 20 1 1 A 40 40 GLU HA H 40 4.485 4.415 0.070 1
1 424 . 20 1 1 A 40 40 GLU CA C 40 55.067 54.969 0.098 1
1 425 . 20 1 1 A 40 40 GLU CB C 40 29.310 29.025 0.285 1
1 426 . 20 1 1 A 40 40 GLU N N 40 122.240 120.224 2.016 1
1 427 . 20 1 1 A 41 41 PRO HA H 41 3.869 4.446 -0.577 1
1 434 . 20 1 1 A 41 41 PRO C C 41 176.908 175.909 0.999 1
1 435 . 20 1 1 A 41 41 PRO CA C 41 64.772 63.853 0.919 1
1 436 . 20 1 1 A 41 41 PRO CB C 41 32.172 31.359 0.813 1
1 439 . 20 1 1 A 42 42 ASP H H 42 8.486 8.225 0.261 1
1 440 . 20 1 1 A 42 42 ASP HA H 42 4.456 4.797 -0.341 1
1 443 . 20 1 1 A 42 42 ASP C C 42 175.265 176.522 -1.257 1
1 444 . 20 1 1 A 42 42 ASP CA C 42 54.480 52.992 1.488 1
1 445 . 20 1 1 A 42 42 ASP CB C 42 40.139 41.532 -1.393 1
1 446 . 20 1 1 A 42 42 ASP N N 42 114.895 121.295 -6.400 1
1 447 . 20 1 1 A 43 43 GLN H H 43 7.280 8.796 -1.516 1
1 448 . 20 1 1 A 43 43 GLN HA H 43 4.420 4.007 0.413 1
1 455 . 20 1 1 A 43 43 GLN CA C 43 54.877 58.225 -3.348 1
1 456 . 20 1 1 A 43 43 GLN CB C 43 30.219 27.983 2.236 1
1 458 . 20 1 1 A 43 43 GLN N N 43 118.523 124.467 -5.944 1
1 460 . 20 1 1 A 44 44 ARG H H 44 8.207 8.385 -0.178 1
1 461 . 20 1 1 A 44 44 ARG HA H 44 4.206 4.199 0.007 1
1 468 . 20 1 1 A 44 44 ARG C C 44 175.581 176.105 -0.524 1
1 469 . 20 1 1 A 44 44 ARG CA C 44 58.285 58.721 -0.436 1
1 470 . 20 1 1 A 44 44 ARG CB C 44 32.175 29.933 2.242 1
1 473 . 20 1 1 A 44 44 ARG N N 44 120.127 119.766 0.361 1
1 474 . 20 1 1 A 45 45 LYS H H 45 7.909 7.350 0.559 1
1 475 . 20 1 1 A 45 45 LYS HA H 45 3.985 4.766 -0.781 1
1 484 . 20 1 1 A 45 45 LYS C C 45 174.753 173.857 0.896 1
1 485 . 20 1 1 A 45 45 LYS CA C 45 56.378 55.507 0.871 1
1 486 . 20 1 1 A 45 45 LYS CB C 45 32.190 34.866 -2.676 1
1 490 . 20 1 1 A 45 45 LYS N N 45 118.935 118.775 0.160 1
1 491 . 20 1 1 A 46 46 VAL H H 46 8.574 8.555 0.019 1
1 492 . 20 1 1 A 46 46 VAL HA H 46 3.870 4.549 -0.679 1
1 500 . 20 1 1 A 46 46 VAL C C 46 173.589 174.700 -1.111 1
1 501 . 20 1 1 A 46 46 VAL CA C 46 60.777 60.976 -0.199 1
1 502 . 20 1 1 A 46 46 VAL CB C 46 32.263 32.554 -0.291 1
1 505 . 20 1 1 A 46 46 VAL N N 46 130.468 126.414 4.054 1
1 506 . 20 1 1 A 47 47 THR H H 47 8.098 8.840 -0.742 1
1 507 . 20 1 1 A 47 47 THR HA H 47 4.864 4.559 0.305 1
1 512 . 20 1 1 A 47 47 THR C C 47 173.666 175.020 -1.354 1
1 513 . 20 1 1 A 47 47 THR CA C 47 61.070 61.671 -0.601 1
1 514 . 20 1 1 A 47 47 THR CB C 47 69.693 70.099 -0.406 1
1 516 . 20 1 1 A 47 47 THR N N 47 120.392 121.934 -1.542 1
1 517 . 20 1 1 A 48 48 CYS H H 48 8.928 8.967 -0.039 1
1 518 . 20 1 1 A 48 48 CYS HA H 48 4.581 4.542 0.039 1
1 521 . 20 1 1 A 48 48 CYS C C 48 174.212 177.152 -2.940 1
1 522 . 20 1 1 A 48 48 CYS CA C 48 59.848 60.643 -0.795 1
1 523 . 20 1 1 A 48 48 CYS CB C 48 29.425 28.061 1.364 1
1 524 . 20 1 1 A 48 48 CYS N N 48 130.472 123.944 6.528 1
1 525 . 20 1 1 A 49 49 GLU H H 49 7.552 8.414 -0.862 1
1 526 . 20 1 1 A 49 49 GLU HA H 49 4.647 4.275 0.372 1
1 531 . 20 1 1 A 49 49 GLU C C 49 175.297 177.696 -2.399 1
1 532 . 20 1 1 A 49 49 GLU CA C 49 55.852 58.861 -3.009 1
1 533 . 20 1 1 A 49 49 GLU CB C 49 31.404 29.230 2.174 1
1 535 . 20 1 1 A 49 49 GLU N N 49 128.705 120.439 8.266 1
1 536 . 20 1 1 A 50 50 GLY H H 50 8.459 8.134 0.325 1
1 537 . 20 1 1 A 50 50 GLY HA2 H 50 4.128 3.918 0.210 1
1 538 . 20 1 1 A 50 50 GLY HA3 H 50 3.916 3.924 -0.008 1
1 539 . 20 1 1 A 50 50 GLY C C 50 174.247 175.374 -1.127 1
1 540 . 20 1 1 A 50 50 GLY CA C 50 45.243 45.676 -0.433 1
1 541 . 20 1 1 A 50 50 GLY N N 50 109.953 108.380 1.573 1
1 542 . 20 1 1 A 51 51 GLY H H 51 8.548 8.933 -0.385 1
1 543 . 20 1 1 A 51 51 GLY HA2 H 51 3.991 3.890 0.101 1
1 544 . 20 1 1 A 51 51 GLY HA3 H 51 3.991 3.895 0.096 1
1 545 . 20 1 1 A 51 51 GLY C C 51 174.381 175.834 -1.453 1
1 546 . 20 1 1 A 51 51 GLY CA C 51 45.714 46.873 -1.159 1
1 547 . 20 1 1 A 51 51 GLY N N 51 109.074 109.446 -0.372 1
1 548 . 20 1 1 A 52 52 ASN H H 52 8.740 8.843 -0.103 1
1 549 . 20 1 1 A 52 52 ASN HA H 52 4.566 4.442 0.124 1
1 554 . 20 1 1 A 52 52 ASN C C 52 175.686 177.093 -1.407 1
1 555 . 20 1 1 A 52 52 ASN CA C 52 53.618 56.361 -2.743 1
1 556 . 20 1 1 A 52 52 ASN CB C 52 38.009 38.494 -0.485 1
1 557 . 20 1 1 A 52 52 ASN N N 52 118.415 124.224 -5.809 1
1 559 . 20 1 1 A 53 53 GLY H H 53 8.367 8.386 -0.019 1
1 560 . 20 1 1 A 53 53 GLY HA2 H 53 4.101 3.807 0.294 1
1 561 . 20 1 1 A 53 53 GLY HA3 H 53 3.808 3.825 -0.017 1
1 562 . 20 1 1 A 53 53 GLY C C 53 174.323 174.472 -0.149 1
1 563 . 20 1 1 A 53 53 GLY CA C 53 45.675 47.137 -1.462 1
1 564 . 20 1 1 A 53 53 GLY N N 53 107.419 105.819 1.600 1
1 565 . 20 1 1 A 54 54 LEU H H 54 7.703 8.041 -0.338 1
1 566 . 20 1 1 A 54 54 LEU HA H 54 4.405 4.077 0.328 1
1 576 . 20 1 1 A 54 54 LEU C C 54 177.359 177.586 -0.227 1
1 577 . 20 1 1 A 54 54 LEU CA C 54 55.162 55.824 -0.662 1
1 578 . 20 1 1 A 54 54 LEU CB C 54 42.742 41.847 0.895 1
1 582 . 20 1 1 A 54 54 LEU N N 54 121.020 123.598 -2.578 1
1 583 . 20 1 1 A 55 55 GLY H H 55 8.265 8.722 -0.457 1
1 584 . 20 1 1 A 55 55 GLY HA2 H 55 4.112 3.954 0.158 1
1 585 . 20 1 1 A 55 55 GLY HA3 H 55 4.112 3.963 0.149 1
1 586 . 20 1 1 A 55 55 GLY C C 55 174.453 175.367 -0.914 1
1 587 . 20 1 1 A 55 55 GLY CA C 55 45.438 47.096 -1.658 1
1 588 . 20 1 1 A 55 55 GLY N N 55 109.910 110.720 -0.810 1
1 589 . 20 1 1 A 56 56 CYS H H 56 10.071 8.862 1.209 1
1 590 . 20 1 1 A 56 56 CYS HA H 56 4.928 4.342 0.586 1
1 593 . 20 1 1 A 56 56 CYS C C 56 177.993 175.226 2.767 1
1 594 . 20 1 1 A 56 56 CYS CA C 56 59.541 60.233 -0.692 1
1 595 . 20 1 1 A 56 56 CYS CB C 56 32.099 27.886 4.213 1
1 596 . 20 1 1 A 56 56 CYS N N 56 124.504 125.569 -1.065 1
1 597 . 20 1 1 A 57 57 GLY H H 57 9.174 8.809 0.365 1
1 598 . 20 1 1 A 57 57 GLY HA2 H 57 4.313 3.888 0.425 1
1 599 . 20 1 1 A 57 57 GLY HA3 H 57 3.668 3.909 -0.241 1
1 600 . 20 1 1 A 57 57 GLY C C 57 173.686 173.641 0.045 1
1 601 . 20 1 1 A 57 57 GLY CA C 57 45.860 45.318 0.542 1
1 602 . 20 1 1 A 57 57 GLY N N 57 114.428 108.677 5.751 1
1 603 . 20 1 1 A 58 58 PHE H H 58 9.036 7.745 1.291 1
1 604 . 20 1 1 A 58 58 PHE HA H 58 4.623 4.881 -0.258 1
1 611 . 20 1 1 A 58 58 PHE C C 58 173.896 173.874 0.022 1
1 612 . 20 1 1 A 58 58 PHE CA C 58 58.969 57.776 1.193 1
1 613 . 20 1 1 A 58 58 PHE CB C 58 41.132 42.647 -1.515 1
1 614 . 20 1 1 A 58 58 PHE N N 58 125.130 119.450 5.680 1
1 615 . 20 1 1 A 59 59 ALA H H 59 7.570 8.238 -0.668 1
1 616 . 20 1 1 A 59 59 ALA HA H 59 5.486 5.132 0.354 1
1 620 . 20 1 1 A 59 59 ALA C C 59 176.469 177.458 -0.989 1
1 621 . 20 1 1 A 59 59 ALA CA C 59 49.817 51.486 -1.669 1
1 622 . 20 1 1 A 59 59 ALA CB C 59 19.826 20.166 -0.340 1
1 623 . 20 1 1 A 59 59 ALA N N 59 128.638 129.892 -1.254 1
1 624 . 20 1 1 A 60 60 PHE H H 60 9.387 8.896 0.491 1
1 625 . 20 1 1 A 60 60 PHE HA H 60 5.204 5.629 -0.425 1
1 632 . 20 1 1 A 60 60 PHE C C 60 172.955 172.674 0.281 1
1 633 . 20 1 1 A 60 60 PHE CA C 60 54.353 55.244 -0.891 1
1 634 . 20 1 1 A 60 60 PHE CB C 60 42.246 42.075 0.171 1
1 637 . 20 1 1 A 60 60 PHE N N 60 121.410 116.470 4.940 1
1 638 . 20 1 1 A 61 61 CYS H H 61 8.772 8.881 -0.109 1
1 639 . 20 1 1 A 61 61 CYS HA H 61 4.754 4.838 -0.084 1
1 642 . 20 1 1 A 61 61 CYS C C 61 177.353 175.168 2.185 1
1 643 . 20 1 1 A 61 61 CYS CA C 61 58.032 57.138 0.894 1
1 644 . 20 1 1 A 61 61 CYS CB C 61 32.242 29.916 2.326 1
1 645 . 20 1 1 A 61 61 CYS N N 61 120.610 120.230 0.380 1
1 646 . 20 1 1 A 62 62 ARG H H 62 9.535 8.602 0.933 1
1 647 . 20 1 1 A 62 62 ARG HA H 62 4.027 3.957 0.070 1
1 654 . 20 1 1 A 62 62 ARG C C 62 175.657 177.988 -2.331 1
1 655 . 20 1 1 A 62 62 ARG CA C 62 59.330 59.619 -0.289 1
1 656 . 20 1 1 A 62 62 ARG CB C 62 31.196 29.930 1.266 1
1 659 . 20 1 1 A 62 62 ARG N N 62 130.041 128.121 1.920 1
1 660 . 20 1 1 A 63 63 GLU H H 63 8.721 8.213 0.508 1
1 661 . 20 1 1 A 63 63 GLU HA H 63 4.394 4.062 0.332 1
1 666 . 20 1 1 A 63 63 GLU C C 63 177.341 178.555 -1.214 1
1 667 . 20 1 1 A 63 63 GLU CA C 63 58.404 59.805 -1.401 1
1 668 . 20 1 1 A 63 63 GLU CB C 63 30.501 29.575 0.926 1
1 670 . 20 1 1 A 63 63 GLU N N 63 118.534 118.727 -0.193 1
1 671 . 20 1 1 A 64 64 CYS H H 64 8.050 7.272 0.778 1
1 672 . 20 1 1 A 64 64 CYS HA H 64 4.962 4.446 0.516 1
1 675 . 20 1 1 A 64 64 CYS C C 64 176.019 175.573 0.446 1
1 676 . 20 1 1 A 64 64 CYS CA C 64 58.858 58.653 0.205 1
1 677 . 20 1 1 A 64 64 CYS CB C 64 32.103 27.412 4.691 1
1 678 . 20 1 1 A 64 64 CYS N N 64 116.495 114.974 1.521 1
1 679 . 20 1 1 A 65 65 LYS H H 65 8.489 8.118 0.371 1
1 680 . 20 1 1 A 65 65 LYS HA H 65 4.191 4.517 -0.326 1
1 687 . 20 1 1 A 65 65 LYS C C 65 174.742 175.487 -0.745 1
1 688 . 20 1 1 A 65 65 LYS CA C 65 58.883 57.276 1.607 1
1 689 . 20 1 1 A 65 65 LYS CB C 65 28.865 30.160 -1.295 1
1 693 . 20 1 1 A 65 65 LYS N N 65 117.320 120.681 -3.361 1
1 694 . 20 1 1 A 66 66 GLU H H 66 8.272 7.409 0.863 1
1 695 . 20 1 1 A 66 66 GLU HA H 66 4.721 4.839 -0.118 1
1 700 . 20 1 1 A 66 66 GLU C C 66 175.422 175.252 0.170 1
1 701 . 20 1 1 A 66 66 GLU CA C 66 55.285 54.483 0.802 1
1 702 . 20 1 1 A 66 66 GLU CB C 66 31.666 32.080 -0.414 1
1 704 . 20 1 1 A 66 66 GLU N N 66 117.719 117.173 0.546 1
1 705 . 20 1 1 A 67 67 ALA H H 67 8.766 8.438 0.328 1
1 706 . 20 1 1 A 67 67 ALA HA H 67 4.177 4.502 -0.325 1
1 710 . 20 1 1 A 67 67 ALA C C 67 177.459 177.103 0.356 1
1 711 . 20 1 1 A 67 67 ALA CA C 67 53.019 53.161 -0.142 1
1 712 . 20 1 1 A 67 67 ALA CB C 67 18.548 18.980 -0.432 1
1 713 . 20 1 1 A 67 67 ALA N N 67 120.597 123.486 -2.889 1
1 714 . 20 1 1 A 68 68 TYR H H 68 8.061 9.110 -1.049 1
1 715 . 20 1 1 A 68 68 TYR HA H 68 4.531 4.364 0.167 1
1 722 . 20 1 1 A 68 68 TYR CA C 68 58.242 58.587 -0.345 1
1 723 . 20 1 1 A 68 68 TYR CB C 68 38.531 38.959 -0.428 1
1 728 . 20 1 1 A 68 68 TYR N N 68 120.592 123.690 -3.098 1
1 729 . 20 1 1 A 69 69 HIS HA H 69 4.643 4.516 0.127 1
1 734 . 20 1 1 A 69 69 HIS C C 69 173.158 175.250 -2.092 1
1 735 . 20 1 1 A 69 69 HIS CA C 69 51.310 57.287 -5.977 1
1 736 . 20 1 1 A 69 69 HIS CB C 69 32.038 30.327 1.711 1
1 739 . 20 1 1 A 70 70 GLU H H 70 8.796 8.017 0.779 1
1 740 . 20 1 1 A 70 70 GLU HA H 70 4.238 4.131 0.107 1
1 745 . 20 1 1 A 70 70 GLU C C 70 178.838 175.941 2.897 1
1 746 . 20 1 1 A 70 70 GLU CA C 70 55.450 57.769 -2.319 1
1 747 . 20 1 1 A 70 70 GLU CB C 70 30.527 27.515 3.012 1
1 749 . 20 1 1 A 70 70 GLU N N 70 120.194 116.043 4.151 1
1 750 . 20 1 1 A 71 71 GLY H H 71 8.876 7.853 1.023 1
1 751 . 20 1 1 A 71 71 GLY HA2 H 71 4.082 3.896 0.186 1
1 752 . 20 1 1 A 71 71 GLY HA3 H 71 3.910 3.975 -0.065 1
1 753 . 20 1 1 A 71 71 GLY C C 71 173.634 171.539 2.095 1
1 754 . 20 1 1 A 71 71 GLY CA C 71 45.615 46.054 -0.439 1
1 755 . 20 1 1 A 71 71 GLY N N 71 111.118 106.090 5.028 1
1 756 . 20 1 1 A 72 72 GLU H H 72 8.391 7.718 0.673 1
1 757 . 20 1 1 A 72 72 GLU HA H 72 4.360 4.510 -0.150 1
1 762 . 20 1 1 A 72 72 GLU C C 72 177.319 176.026 1.293 1
1 763 . 20 1 1 A 72 72 GLU CA C 72 56.571 54.919 1.652 1
1 764 . 20 1 1 A 72 72 GLU CB C 72 30.411 32.474 -2.063 1
1 766 . 20 1 1 A 72 72 GLU N N 72 118.939 120.651 -1.712 1
1 767 . 20 1 1 A 73 73 CYS H H 73 8.574 8.813 -0.239 1
1 768 . 20 1 1 A 73 73 CYS HA H 73 3.770 4.135 -0.365 1
1 771 . 20 1 1 A 73 73 CYS C C 73 176.052 176.999 -0.947 1
1 772 . 20 1 1 A 73 73 CYS CA C 73 60.416 62.239 -1.823 1
1 773 . 20 1 1 A 73 73 CYS CB C 73 30.793 27.002 3.791 1
1 774 . 20 1 1 A 73 73 CYS N N 73 123.479 123.408 0.071 1
1 775 . 20 1 1 A 74 74 SER H H 74 8.541 8.071 0.470 1
1 776 . 20 1 1 A 74 74 SER HA H 74 4.288 4.206 0.082 1
1 779 . 20 1 1 A 74 74 SER C C 74 174.140 175.708 -1.568 1
1 780 . 20 1 1 A 74 74 SER CA C 74 58.591 61.829 -3.238 1
1 781 . 20 1 1 A 74 74 SER CB C 74 63.626 63.308 0.318 1
1 782 . 20 1 1 A 74 74 SER N N 74 117.297 116.640 0.657 1
1 783 . 20 1 1 A 75 75 ALA H H 75 8.092 7.615 0.477 1
1 784 . 20 1 1 A 75 75 ALA HA H 75 4.312 4.176 0.136 1
1 788 . 20 1 1 A 75 75 ALA C C 75 177.173 177.102 0.071 1
1 789 . 20 1 1 A 75 75 ALA CA C 75 52.403 53.334 -0.931 1
1 790 . 20 1 1 A 75 75 ALA CB C 75 19.546 19.184 0.362 1
1 791 . 20 1 1 A 75 75 ALA N N 75 125.952 122.891 3.061 1
1 792 . 20 1 1 A 76 76 VAL H H 76 7.934 8.652 -0.718 1
1 793 . 20 1 1 A 76 76 VAL HA H 76 4.028 4.598 -0.570 1
1 801 . 20 1 1 A 76 76 VAL C C 76 175.784 173.713 2.071 1
1 802 . 20 1 1 A 76 76 VAL CA C 76 62.265 61.205 1.060 1
1 803 . 20 1 1 A 76 76 VAL CB C 76 32.893 32.823 0.070 1
1 806 . 20 1 1 A 76 76 VAL N N 76 118.959 123.323 -4.364 1
1 807 . 20 1 1 A 77 77 PHE H H 77 8.283 9.028 -0.745 1
1 808 . 20 1 1 A 77 77 PHE HA H 77 4.670 5.301 -0.631 1
1 813 . 20 1 1 A 77 77 PHE C C 77 175.335 174.879 0.456 1
1 814 . 20 1 1 A 77 77 PHE CA C 77 57.588 55.875 1.713 1
1 815 . 20 1 1 A 77 77 PHE CB C 77 39.899 41.127 -1.228 1
1 818 . 20 1 1 A 77 77 PHE N N 77 124.298 129.132 -4.834 1
1 819 . 20 1 1 A 78 78 GLU H H 78 8.262 8.546 -0.284 1
1 820 . 20 1 1 A 78 78 GLU HA H 78 4.251 4.693 -0.442 1
1 825 . 20 1 1 A 78 78 GLU C C 78 175.451 174.497 0.954 1
1 826 . 20 1 1 A 78 78 GLU CA C 78 56.179 55.796 0.383 1
1 827 . 20 1 1 A 78 78 GLU CB C 78 30.676 34.200 -3.524 1
1 829 . 20 1 1 A 78 78 GLU N N 78 123.482 123.022 0.460 1
1 830 . 20 1 1 A 79 79 ALA H H 79 8.279 8.493 -0.214 1
1 831 . 20 1 1 A 79 79 ALA HA H 79 4.341 4.405 -0.064 1
1 835 . 20 1 1 A 79 79 ALA C C 79 176.767 177.681 -0.914 1
1 836 . 20 1 1 A 79 79 ALA CA C 79 52.512 52.217 0.295 1
1 837 . 20 1 1 A 79 79 ALA CB C 79 19.493 19.124 0.369 1
1 838 . 20 1 1 A 79 79 ALA N N 79 126.363 127.218 -0.855 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 69 1.395 1
2 1 1 1 "RMS(OBS, PRED)" CA 76 1.606 1
3 1 1 1 "RMS(OBS, PRED)" CB 65 2.175 1
4 1 1 1 "RMS(OBS, PRED)" H 72 0.629 1
5 1 1 1 "RMS(OBS, PRED)" HA 89 0.396 1
6 1 1 1 "RMS(OBS, PRED)" N 72 3.382 1
7 1 2 1 "RMS(OBS, PRED)" C 69 1.378 1
8 1 2 1 "RMS(OBS, PRED)" CA 76 1.479 1
9 1 2 1 "RMS(OBS, PRED)" CB 65 1.908 1
10 1 2 1 "RMS(OBS, PRED)" H 72 0.612 1
11 1 2 1 "RMS(OBS, PRED)" HA 89 0.358 1
12 1 2 1 "RMS(OBS, PRED)" N 72 3.599 1
13 1 3 1 "RMS(OBS, PRED)" C 69 1.467 1
14 1 3 1 "RMS(OBS, PRED)" CA 76 1.607 1
15 1 3 1 "RMS(OBS, PRED)" CB 65 1.950 1
16 1 3 1 "RMS(OBS, PRED)" H 72 0.623 1
17 1 3 1 "RMS(OBS, PRED)" HA 89 0.415 1
18 1 3 1 "RMS(OBS, PRED)" N 72 3.895 1
19 1 4 1 "RMS(OBS, PRED)" C 69 1.409 1
20 1 4 1 "RMS(OBS, PRED)" CA 76 1.403 1
21 1 4 1 "RMS(OBS, PRED)" CB 65 2.048 1
22 1 4 1 "RMS(OBS, PRED)" H 72 0.646 1
23 1 4 1 "RMS(OBS, PRED)" HA 89 0.360 1
24 1 4 1 "RMS(OBS, PRED)" N 72 3.798 1
25 1 5 1 "RMS(OBS, PRED)" C 69 1.377 1
26 1 5 1 "RMS(OBS, PRED)" CA 76 1.490 1
27 1 5 1 "RMS(OBS, PRED)" CB 65 1.985 1
28 1 5 1 "RMS(OBS, PRED)" H 72 0.672 1
29 1 5 1 "RMS(OBS, PRED)" HA 89 0.341 1
30 1 5 1 "RMS(OBS, PRED)" N 72 3.500 1
31 1 6 1 "RMS(OBS, PRED)" C 69 1.403 1
32 1 6 1 "RMS(OBS, PRED)" CA 76 1.900 1
33 1 6 1 "RMS(OBS, PRED)" CB 65 1.967 1
34 1 6 1 "RMS(OBS, PRED)" H 72 0.651 1
35 1 6 1 "RMS(OBS, PRED)" HA 89 0.341 1
36 1 6 1 "RMS(OBS, PRED)" N 72 3.560 1
37 1 7 1 "RMS(OBS, PRED)" C 69 1.416 1
38 1 7 1 "RMS(OBS, PRED)" CA 76 1.334 1
39 1 7 1 "RMS(OBS, PRED)" CB 65 2.067 1
40 1 7 1 "RMS(OBS, PRED)" H 72 0.666 1
41 1 7 1 "RMS(OBS, PRED)" HA 89 0.368 1
42 1 7 1 "RMS(OBS, PRED)" N 72 3.586 1
43 1 8 1 "RMS(OBS, PRED)" C 69 1.469 1
44 1 8 1 "RMS(OBS, PRED)" CA 76 1.598 1
45 1 8 1 "RMS(OBS, PRED)" CB 65 2.208 1
46 1 8 1 "RMS(OBS, PRED)" H 72 0.672 1
47 1 8 1 "RMS(OBS, PRED)" HA 89 0.363 1
48 1 8 1 "RMS(OBS, PRED)" N 72 3.459 1
49 1 9 1 "RMS(OBS, PRED)" C 69 1.302 1
50 1 9 1 "RMS(OBS, PRED)" CA 76 1.426 1
51 1 9 1 "RMS(OBS, PRED)" CB 65 1.959 1
52 1 9 1 "RMS(OBS, PRED)" H 72 0.612 1
53 1 9 1 "RMS(OBS, PRED)" HA 89 0.357 1
54 1 9 1 "RMS(OBS, PRED)" N 72 3.412 1
55 1 10 1 "RMS(OBS, PRED)" C 69 1.133 1
56 1 10 1 "RMS(OBS, PRED)" CA 76 1.459 1
57 1 10 1 "RMS(OBS, PRED)" CB 65 1.719 1
58 1 10 1 "RMS(OBS, PRED)" H 72 0.648 1
59 1 10 1 "RMS(OBS, PRED)" HA 89 0.320 1
60 1 10 1 "RMS(OBS, PRED)" N 72 3.654 1
61 1 11 1 "RMS(OBS, PRED)" C 69 1.310 1
62 1 11 1 "RMS(OBS, PRED)" CA 76 1.427 1
63 1 11 1 "RMS(OBS, PRED)" CB 65 1.901 1
64 1 11 1 "RMS(OBS, PRED)" H 72 0.638 1
65 1 11 1 "RMS(OBS, PRED)" HA 89 0.334 1
66 1 11 1 "RMS(OBS, PRED)" N 72 3.548 1
67 1 12 1 "RMS(OBS, PRED)" C 69 1.400 1
68 1 12 1 "RMS(OBS, PRED)" CA 76 1.500 1
69 1 12 1 "RMS(OBS, PRED)" CB 65 2.040 1
70 1 12 1 "RMS(OBS, PRED)" H 72 0.640 1
71 1 12 1 "RMS(OBS, PRED)" HA 89 0.365 1
72 1 12 1 "RMS(OBS, PRED)" N 72 3.355 1
73 1 13 1 "RMS(OBS, PRED)" C 69 1.345 1
74 1 13 1 "RMS(OBS, PRED)" CA 76 1.467 1
75 1 13 1 "RMS(OBS, PRED)" CB 65 1.863 1
76 1 13 1 "RMS(OBS, PRED)" H 72 0.625 1
77 1 13 1 "RMS(OBS, PRED)" HA 89 0.355 1
78 1 13 1 "RMS(OBS, PRED)" N 72 3.507 1
79 1 14 1 "RMS(OBS, PRED)" C 69 1.236 1
80 1 14 1 "RMS(OBS, PRED)" CA 76 1.504 1
81 1 14 1 "RMS(OBS, PRED)" CB 65 2.062 1
82 1 14 1 "RMS(OBS, PRED)" H 72 0.667 1
83 1 14 1 "RMS(OBS, PRED)" HA 89 0.328 1
84 1 14 1 "RMS(OBS, PRED)" N 72 3.756 1
85 1 15 1 "RMS(OBS, PRED)" C 69 1.337 1
86 1 15 1 "RMS(OBS, PRED)" CA 76 1.380 1
87 1 15 1 "RMS(OBS, PRED)" CB 65 1.808 1
88 1 15 1 "RMS(OBS, PRED)" H 72 0.659 1
89 1 15 1 "RMS(OBS, PRED)" HA 89 0.367 1
90 1 15 1 "RMS(OBS, PRED)" N 72 3.766 1
91 1 16 1 "RMS(OBS, PRED)" C 69 1.287 1
92 1 16 1 "RMS(OBS, PRED)" CA 76 1.413 1
93 1 16 1 "RMS(OBS, PRED)" CB 65 1.905 1
94 1 16 1 "RMS(OBS, PRED)" H 72 0.619 1
95 1 16 1 "RMS(OBS, PRED)" HA 89 0.386 1
96 1 16 1 "RMS(OBS, PRED)" N 72 3.652 1
97 1 17 1 "RMS(OBS, PRED)" C 69 1.314 1
98 1 17 1 "RMS(OBS, PRED)" CA 76 1.531 1
99 1 17 1 "RMS(OBS, PRED)" CB 65 1.972 1
100 1 17 1 "RMS(OBS, PRED)" H 72 0.634 1
101 1 17 1 "RMS(OBS, PRED)" HA 89 0.366 1
102 1 17 1 "RMS(OBS, PRED)" N 72 3.378 1
103 1 18 1 "RMS(OBS, PRED)" C 69 1.255 1
104 1 18 1 "RMS(OBS, PRED)" CA 76 1.375 1
105 1 18 1 "RMS(OBS, PRED)" CB 65 1.920 1
106 1 18 1 "RMS(OBS, PRED)" H 72 0.619 1
107 1 18 1 "RMS(OBS, PRED)" HA 89 0.391 1
108 1 18 1 "RMS(OBS, PRED)" N 72 3.502 1
109 1 19 1 "RMS(OBS, PRED)" C 69 1.322 1
110 1 19 1 "RMS(OBS, PRED)" CA 76 1.643 1
111 1 19 1 "RMS(OBS, PRED)" CB 65 1.988 1
112 1 19 1 "RMS(OBS, PRED)" H 72 0.619 1
113 1 19 1 "RMS(OBS, PRED)" HA 89 0.366 1
114 1 19 1 "RMS(OBS, PRED)" N 72 3.996 1
115 1 20 1 "RMS(OBS, PRED)" C 69 1.330 1
116 1 20 1 "RMS(OBS, PRED)" CA 76 1.462 1
117 1 20 1 "RMS(OBS, PRED)" CB 65 1.959 1
118 1 20 1 "RMS(OBS, PRED)" H 72 0.602 1
119 1 20 1 "RMS(OBS, PRED)" HA 89 0.310 1
120 1 20 1 "RMS(OBS, PRED)" N 72 3.583 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 6 . 1 1 A 2 2 HIS H H 2 7.929 8.413 -0.484 2
1 9 . 1 1 A 2 2 HIS CB C 2 31.017 31.266 -0.249 2
1 12 . 1 1 A 2 2 HIS N N 2 118.946 119.967 -1.021 2
1 13 . 1 1 A 3 3 MET HA H 3 4.537 4.653 -0.116 2
1 16 . 1 1 A 3 3 MET C C 3 176.240 176.110 0.130 2
1 17 . 1 1 A 3 3 MET CA C 3 55.681 55.135 0.546 2
1 18 . 1 1 A 3 3 MET CB C 3 33.063 34.512 -1.449 2
1 20 . 1 1 A 4 4 GLY H H 4 8.155 8.502 -0.347 2
1 21 . 1 1 A 4 4 GLY HA2 H 4 4.031 4.035 -0.004 2
1 22 . 1 1 A 4 4 GLY HA3 H 4 4.031 4.062 -0.031 2
1 23 . 1 1 A 4 4 GLY C C 4 174.348 173.369 0.980 2
1 24 . 1 1 A 4 4 GLY CA C 4 45.418 45.555 -0.137 2
1 25 . 1 1 A 4 4 GLY N N 4 108.673 109.465 -0.792 2
1 26 . 1 1 A 5 5 GLU H H 5 8.351 8.502 -0.151 2
1 27 . 1 1 A 5 5 GLU HA H 5 4.275 4.659 -0.384 2
1 32 . 1 1 A 5 5 GLU C C 5 177.037 175.622 1.415 2
1 33 . 1 1 A 5 5 GLU CA C 5 57.098 55.574 1.524 2
1 34 . 1 1 A 5 5 GLU CB C 5 30.282 31.349 -1.067 2
1 36 . 1 1 A 5 5 GLU N N 5 120.605 120.201 0.404 2
1 37 . 1 1 A 6 6 GLU H H 6 8.641 8.434 0.207 2
1 38 . 1 1 A 6 6 GLU HA H 6 4.248 4.567 -0.319 2
1 43 . 1 1 A 6 6 GLU C C 6 176.799 175.785 1.014 2
1 44 . 1 1 A 6 6 GLU CA C 6 57.344 56.157 1.187 2
1 45 . 1 1 A 6 6 GLU CB C 6 29.842 31.584 -1.742 2
1 47 . 1 1 A 6 6 GLU N N 6 121.425 121.486 -0.061 2
1 48 . 1 1 A 7 7 GLN H H 7 8.304 8.304 -0.000 2
1 53 . 1 1 A 7 7 GLN C C 7 175.537 175.054 0.483 2
1 54 . 1 1 A 7 7 GLN CA C 7 56.292 55.527 0.765 2
1 55 . 1 1 A 7 7 GLN CB C 7 29.164 30.118 -0.954 2
1 57 . 1 1 A 7 7 GLN N N 7 120.185 120.518 -0.333 2
1 59 . 1 1 A 8 8 TYR H H 8 8.221 8.573 -0.352 2
1 60 . 1 1 A 8 8 TYR HA H 8 4.606 4.864 -0.258 2
1 67 . 1 1 A 8 8 TYR C C 8 175.728 175.197 0.531 2
1 68 . 1 1 A 8 8 TYR CA C 8 58.138 57.584 0.554 2
1 69 . 1 1 A 8 8 TYR CB C 8 38.766 40.091 -1.325 2
1 70 . 1 1 A 8 8 TYR N N 8 120.918 120.988 -0.070 2
1 71 . 1 1 A 9 9 ASN H H 9 8.288 8.652 -0.364 2
1 72 . 1 1 A 9 9 ASN HA H 9 4.654 4.985 -0.331 2
1 77 . 1 1 A 9 9 ASN C C 9 175.439 174.793 0.646 2
1 78 . 1 1 A 9 9 ASN CA C 9 53.435 53.039 0.396 2
1 79 . 1 1 A 9 9 ASN CB C 9 38.790 40.072 -1.282 2
1 80 . 1 1 A 9 9 ASN N N 9 120.180 119.704 0.476 2
1 82 . 1 1 A 10 10 ARG H H 10 8.128 8.413 -0.285 2
1 83 . 1 1 A 10 10 ARG HA H 10 4.171 4.542 -0.371 2
1 90 . 1 1 A 10 10 ARG C C 10 176.244 175.309 0.935 2
1 91 . 1 1 A 10 10 ARG CA C 10 57.023 55.566 1.457 2
1 92 . 1 1 A 10 10 ARG CB C 10 30.535 31.837 -1.302 2
1 95 . 1 1 A 10 10 ARG N N 10 121.014 121.765 -0.751 2
1 96 . 1 1 A 11 11 TYR H H 11 8.108 8.630 -0.522 2
1 97 . 1 1 A 11 11 TYR HA H 11 4.543 4.665 -0.121 2
1 104 . 1 1 A 11 11 TYR C C 11 175.929 175.496 0.433 2
1 105 . 1 1 A 11 11 TYR CA C 11 58.219 58.386 -0.167 2
1 106 . 1 1 A 11 11 TYR CB C 11 38.365 39.833 -1.468 2
1 107 . 1 1 A 11 11 TYR N N 11 119.776 122.277 -2.501 2
1 108 . 1 1 A 12 12 GLN H H 12 8.050 8.526 -0.476 2
1 109 . 1 1 A 12 12 GLN HA H 12 4.269 4.443 -0.174 2
1 116 . 1 1 A 12 12 GLN C C 12 175.917 175.471 0.446 2
1 117 . 1 1 A 12 12 GLN CA C 12 56.240 56.836 -0.596 2
1 118 . 1 1 A 12 12 GLN CB C 12 29.463 29.615 -0.152 2
1 120 . 1 1 A 12 12 GLN N N 12 120.992 120.755 0.237 2
1 122 . 1 1 A 13 13 GLN H H 13 8.065 8.263 -0.198 2
1 123 . 1 1 A 13 13 GLN HA H 13 4.202 4.739 -0.537 2
1 130 . 1 1 A 13 13 GLN C C 13 175.644 174.633 1.011 2
1 131 . 1 1 A 13 13 GLN CA C 13 56.242 54.988 1.254 2
1 132 . 1 1 A 13 13 GLN CB C 13 29.394 31.190 -1.796 2
1 134 . 1 1 A 13 13 GLN N N 13 120.539 120.124 0.415 2
1 136 . 1 1 A 14 14 TYR H H 14 8.212 8.793 -0.581 2
1 137 . 1 1 A 14 14 TYR HA H 14 4.572 4.671 -0.099 2
1 144 . 1 1 A 14 14 TYR C C 14 176.382 175.869 0.513 2
1 145 . 1 1 A 14 14 TYR CA C 14 57.958 58.228 -0.270 2
1 146 . 1 1 A 14 14 TYR CB C 14 38.983 40.027 -1.044 2
1 151 . 1 1 A 14 14 TYR N N 14 120.582 121.207 -0.624 2
1 152 . 1 1 A 15 15 GLY H H 15 8.405 8.334 0.071 2
1 153 . 1 1 A 15 15 GLY HA2 H 15 3.933 3.930 0.002 2
1 154 . 1 1 A 15 15 GLY HA3 H 15 3.933 3.977 -0.044 2
1 155 . 1 1 A 15 15 GLY C C 15 173.776 173.508 0.268 2
1 156 . 1 1 A 15 15 GLY CA C 15 45.407 45.706 -0.299 2
1 157 . 1 1 A 15 15 GLY N N 15 110.724 110.109 0.615 2
1 158 . 1 1 A 16 16 ALA H H 16 8.160 8.126 0.034 2
1 159 . 1 1 A 16 16 ALA HA H 16 4.302 4.626 -0.324 2
1 163 . 1 1 A 16 16 ALA C C 16 178.147 177.014 1.133 2
1 164 . 1 1 A 16 16 ALA CA C 16 53.034 51.459 1.575 2
1 165 . 1 1 A 16 16 ALA CB C 16 19.392 20.771 -1.379 2
1 166 . 1 1 A 16 16 ALA N N 16 123.489 123.956 -0.467 2
1 167 . 1 1 A 17 17 GLU H H 17 8.612 8.785 -0.173 2
1 168 . 1 1 A 17 17 GLU HA H 17 4.169 4.465 -0.296 2
1 173 . 1 1 A 17 17 GLU C C 17 177.000 176.240 0.760 2
1 174 . 1 1 A 17 17 GLU CA C 17 57.837 57.106 0.731 2
1 175 . 1 1 A 17 17 GLU CB C 17 29.881 30.686 -0.805 2
1 177 . 1 1 A 17 17 GLU N N 17 119.373 122.260 -2.887 2
1 178 . 1 1 A 18 18 GLU H H 18 8.413 8.327 0.086 2
1 179 . 1 1 A 18 18 GLU HA H 18 4.210 4.654 -0.444 2
1 184 . 1 1 A 18 18 GLU C C 18 177.015 175.514 1.501 2
1 185 . 1 1 A 18 18 GLU CA C 18 57.641 55.927 1.714 2
1 186 . 1 1 A 18 18 GLU CB C 18 29.980 30.921 -0.941 2
1 188 . 1 1 A 18 18 GLU N N 18 120.184 120.347 -0.163 2
1 189 . 1 1 A 19 19 CYS H H 19 8.253 8.625 -0.372 2
1 190 . 1 1 A 19 19 CYS HA H 19 4.381 4.853 -0.472 2
1 193 . 1 1 A 19 19 CYS C C 19 175.552 174.413 1.139 2
1 194 . 1 1 A 19 19 CYS CA C 19 59.819 58.126 1.693 2
1 195 . 1 1 A 19 19 CYS CB C 19 27.554 30.008 -2.454 2
1 196 . 1 1 A 19 19 CYS N N 19 119.775 122.455 -2.680 2
1 197 . 1 1 A 20 20 VAL H H 20 8.051 8.602 -0.551 2
1 198 . 1 1 A 20 20 VAL HA H 20 3.939 3.722 0.217 2
1 206 . 1 1 A 20 20 VAL C C 20 173.904 175.382 -1.478 2
1 207 . 1 1 A 20 20 VAL CA C 20 64.113 63.259 0.854 2
1 208 . 1 1 A 20 20 VAL CB C 20 32.316 29.805 2.511 2
1 211 . 1 1 A 20 20 VAL N N 20 121.008 122.930 -1.922 2
1 212 . 1 1 A 21 21 LEU H H 21 8.190 7.829 0.361 2
1 213 . 1 1 A 21 21 LEU HA H 21 4.648 4.528 0.120 2
1 222 . 1 1 A 21 21 LEU CA C 21 54.565 54.810 -0.245 2
1 223 . 1 1 A 21 21 LEU CB C 21 41.542 43.084 -1.542 2
1 225 . 1 1 A 21 21 LEU N N 21 123.470 121.459 2.011 2
1 226 . 1 1 A 22 22 GLN H H 22 8.322 8.239 0.083 2
1 227 . 1 1 A 22 22 GLN HA H 22 4.046 4.510 -0.464 2
1 230 . 1 1 A 22 22 GLN C C 22 176.428 176.188 0.240 2
1 231 . 1 1 A 22 22 GLN CA C 22 56.800 55.705 1.095 2
1 232 . 1 1 A 22 22 GLN CB C 22 29.116 30.514 -1.398 2
1 234 . 1 1 A 22 22 GLN N N 22 120.999 120.050 0.949 2
1 236 . 1 1 A 23 23 MET H H 23 7.958 8.552 -0.594 2
1 237 . 1 1 A 23 23 MET HA H 23 4.487 4.529 -0.042 2
1 245 . 1 1 A 23 23 MET C C 23 176.558 176.734 -0.176 2
1 246 . 1 1 A 23 23 MET CA C 23 55.842 56.420 -0.578 2
1 247 . 1 1 A 23 23 MET CB C 23 32.712 33.122 -0.410 2
1 250 . 1 1 A 23 23 MET N N 23 118.950 120.357 -1.407 2
1 251 . 1 1 A 24 24 GLY H H 24 8.549 8.170 0.379 2
1 252 . 1 1 A 24 24 GLY HA2 H 24 4.163 3.904 0.259 2
1 253 . 1 1 A 24 24 GLY HA3 H 24 3.919 3.910 0.009 2
1 254 . 1 1 A 24 24 GLY C C 24 174.799 174.984 -0.185 2
1 255 . 1 1 A 24 24 GLY CA C 24 45.547 46.127 -0.579 2
1 256 . 1 1 A 24 24 GLY N N 24 110.724 108.718 2.006 2
1 257 . 1 1 A 25 25 GLY H H 25 8.216 8.462 -0.246 2
1 258 . 1 1 A 25 25 GLY HA2 H 25 4.455 3.988 0.467 2
1 259 . 1 1 A 25 25 GLY HA3 H 25 3.921 3.998 -0.077 2
1 260 . 1 1 A 25 25 GLY C C 25 172.658 173.612 -0.954 2
1 261 . 1 1 A 25 25 GLY CA C 25 45.087 46.192 -1.105 2
1 262 . 1 1 A 25 25 GLY N N 25 107.443 112.126 -4.683 2
1 263 . 1 1 A 26 26 VAL H H 26 8.726 8.304 0.422 2
1 264 . 1 1 A 26 26 VAL HA H 26 4.533 4.820 -0.287 2
1 272 . 1 1 A 26 26 VAL C C 26 172.923 174.559 -1.636 2
1 273 . 1 1 A 26 26 VAL CA C 26 59.864 60.032 -0.168 2
1 274 . 1 1 A 26 26 VAL CB C 26 35.551 34.920 0.631 2
1 277 . 1 1 A 26 26 VAL N N 26 116.467 120.845 -4.378 2
1 278 . 1 1 A 27 27 LEU H H 27 8.201 8.779 -0.578 2
1 279 . 1 1 A 27 27 LEU HA H 27 5.057 4.983 0.074 2
1 289 . 1 1 A 27 27 LEU C C 27 176.746 175.521 1.225 2
1 290 . 1 1 A 27 27 LEU CA C 27 53.134 53.318 -0.184 2
1 291 . 1 1 A 27 27 LEU CB C 27 42.926 45.077 -2.151 2
1 294 . 1 1 A 27 27 LEU N N 27 124.428 122.841 1.587 2
1 295 . 1 1 A 28 28 CYS H H 28 8.902 8.534 0.368 2
1 296 . 1 1 A 28 28 CYS HA H 28 4.158 4.315 -0.157 2
1 299 . 1 1 A 28 28 CYS CA C 28 57.728 57.692 0.036 2
1 300 . 1 1 A 28 28 CYS CB C 28 32.175 28.108 4.067 2
1 301 . 1 1 A 28 28 CYS N N 28 127.173 120.960 6.212 2
1 302 . 1 1 A 29 29 PRO HA H 29 4.410 4.446 -0.036 2
1 309 . 1 1 A 29 29 PRO C C 29 177.459 176.310 1.149 2
1 310 . 1 1 A 29 29 PRO CA C 29 62.872 64.096 -1.224 2
1 311 . 1 1 A 29 29 PRO CB C 29 32.813 31.725 1.088 2
1 314 . 1 1 A 30 30 ARG H H 30 9.132 7.687 1.445 2
1 315 . 1 1 A 30 30 ARG HA H 30 4.087 4.421 -0.334 2
1 322 . 1 1 A 30 30 ARG CA C 30 55.102 54.454 0.648 2
1 323 . 1 1 A 30 30 ARG CB C 30 29.469 29.817 -0.348 2
1 326 . 1 1 A 30 30 ARG N N 30 127.589 120.714 6.875 2
1 327 . 1 1 A 31 31 PRO HA H 31 4.242 4.331 -0.089 2
1 334 . 1 1 A 31 31 PRO C C 31 177.828 177.757 0.071 2
1 335 . 1 1 A 31 31 PRO CA C 31 64.202 64.205 -0.003 2
1 336 . 1 1 A 31 31 PRO CB C 31 31.518 31.484 0.034 2
1 339 . 1 1 A 32 32 GLY H H 32 8.773 8.450 0.323 2
1 340 . 1 1 A 32 32 GLY HA2 H 32 4.065 3.941 0.124 2
1 341 . 1 1 A 32 32 GLY HA3 H 32 3.706 3.943 -0.237 2
1 342 . 1 1 A 32 32 GLY C C 32 173.340 174.617 -1.277 2
1 343 . 1 1 A 32 32 GLY CA C 32 45.272 45.840 -0.568 2
1 344 . 1 1 A 32 32 GLY N N 32 111.942 108.572 3.370 2
1 345 . 1 1 A 33 33 CYS H H 33 7.749 7.880 -0.131 2
1 346 . 1 1 A 33 33 CYS HA H 33 4.528 4.405 0.123 2
1 349 . 1 1 A 33 33 CYS CA C 33 60.515 59.957 0.558 2
1 350 . 1 1 A 33 33 CYS CB C 33 29.641 28.221 1.420 2
1 351 . 1 1 A 33 33 CYS N N 33 123.343 120.163 3.180 2
1 352 . 1 1 A 34 34 GLY H H 34 8.351 8.370 -0.019 2
1 353 . 1 1 A 34 34 GLY HA2 H 34 4.120 3.931 0.189 2
1 354 . 1 1 A 34 34 GLY HA3 H 34 3.911 3.940 -0.029 2
1 355 . 1 1 A 34 34 GLY C C 34 173.849 175.025 -1.176 2
1 356 . 1 1 A 34 34 GLY CA C 34 46.225 46.544 -0.319 2
1 357 . 1 1 A 34 34 GLY N N 34 106.570 111.649 -5.079 2
1 358 . 1 1 A 35 35 ALA H H 35 8.591 7.910 0.681 2
1 359 . 1 1 A 35 35 ALA HA H 35 4.091 4.096 -0.005 2
1 363 . 1 1 A 35 35 ALA C C 35 176.818 178.094 -1.276 2
1 364 . 1 1 A 35 35 ALA CA C 35 53.757 54.407 -0.650 2
1 365 . 1 1 A 35 35 ALA CB C 35 20.271 18.728 1.543 2
1 366 . 1 1 A 35 35 ALA N N 35 125.109 123.318 1.791 2
1 367 . 1 1 A 36 36 GLY H H 36 8.348 8.242 0.107 2
1 368 . 1 1 A 36 36 GLY HA2 H 36 4.412 3.936 0.476 2
1 369 . 1 1 A 36 36 GLY HA3 H 36 3.479 3.943 -0.464 2
1 370 . 1 1 A 36 36 GLY C C 36 177.324 173.947 3.377 2
1 371 . 1 1 A 36 36 GLY CA C 36 45.847 46.761 -0.914 2
1 372 . 1 1 A 36 36 GLY N N 36 106.607 106.819 -0.212 2
1 373 . 1 1 A 37 37 LEU H H 37 8.190 7.694 0.496 2
1 374 . 1 1 A 37 37 LEU HA H 37 4.753 4.842 -0.089 2
1 384 . 1 1 A 37 37 LEU C C 37 177.064 175.545 1.519 2
1 385 . 1 1 A 37 37 LEU CB C 37 44.730 44.472 0.258 2
1 389 . 1 1 A 37 37 LEU N N 37 123.541 116.783 6.758 2
1 390 . 1 1 A 38 38 LEU H H 38 8.210 8.668 -0.458 2
1 391 . 1 1 A 38 38 LEU HA H 38 4.981 4.676 0.305 2
1 401 . 1 1 A 38 38 LEU CA C 38 51.755 52.412 -0.657 2
1 402 . 1 1 A 38 38 LEU CB C 38 42.309 43.006 -0.697 2
1 405 . 1 1 A 38 38 LEU N N 38 124.280 124.169 0.111 2
1 406 . 1 1 A 39 39 PRO HA H 39 4.600 4.520 0.080 2
1 413 . 1 1 A 39 39 PRO C C 39 176.647 176.615 0.032 2
1 414 . 1 1 A 39 39 PRO CA C 39 62.130 62.325 -0.194 2
1 415 . 1 1 A 39 39 PRO CB C 39 32.686 32.343 0.343 2
1 418 . 1 1 A 40 40 GLU H H 40 8.631 8.519 0.112 2
1 419 . 1 1 A 40 40 GLU HA H 40 4.485 4.392 0.093 2
1 424 . 1 1 A 40 40 GLU CA C 40 55.067 55.142 -0.075 2
1 425 . 1 1 A 40 40 GLU CB C 40 29.310 29.340 -0.030 2
1 426 . 1 1 A 40 40 GLU N N 40 122.240 120.666 1.573 2
1 427 . 1 1 A 41 41 PRO HA H 41 3.869 4.419 -0.550 2
1 434 . 1 1 A 41 41 PRO C C 41 176.908 175.653 1.255 2
1 435 . 1 1 A 41 41 PRO CA C 41 64.772 63.894 0.878 2
1 436 . 1 1 A 41 41 PRO CB C 41 32.172 31.167 1.005 2
1 439 . 1 1 A 42 42 ASP H H 42 8.486 7.848 0.638 2
1 440 . 1 1 A 42 42 ASP HA H 42 4.456 4.865 -0.409 2
1 443 . 1 1 A 42 42 ASP C C 42 175.265 176.065 -0.800 2
1 444 . 1 1 A 42 42 ASP CA C 42 54.480 53.075 1.405 2
1 445 . 1 1 A 42 42 ASP CB C 42 40.139 42.444 -2.305 2
1 446 . 1 1 A 42 42 ASP N N 42 114.895 119.262 -4.367 2
1 447 . 1 1 A 43 43 GLN H H 43 7.280 8.897 -1.617 2
1 448 . 1 1 A 43 43 GLN HA H 43 4.420 4.016 0.404 2
1 455 . 1 1 A 43 43 GLN CA C 43 54.877 58.027 -3.150 2
1 456 . 1 1 A 43 43 GLN CB C 43 30.219 27.954 2.265 2
1 458 . 1 1 A 43 43 GLN N N 43 118.523 124.015 -5.492 2
1 460 . 1 1 A 44 44 ARG H H 44 8.207 7.827 0.380 2
1 461 . 1 1 A 44 44 ARG HA H 44 4.206 4.118 0.088 2
1 468 . 1 1 A 44 44 ARG C C 44 175.581 176.695 -1.114 2
1 469 . 1 1 A 44 44 ARG CA C 44 58.285 58.941 -0.656 2
1 470 . 1 1 A 44 44 ARG CB C 44 32.175 30.104 2.071 2
1 473 . 1 1 A 44 44 ARG N N 44 120.127 119.189 0.938 2
1 474 . 1 1 A 45 45 LYS H H 45 7.909 7.400 0.509 2
1 475 . 1 1 A 45 45 LYS HA H 45 3.985 4.726 -0.741 2
1 484 . 1 1 A 45 45 LYS C C 45 174.753 174.062 0.691 2
1 485 . 1 1 A 45 45 LYS CA C 45 56.378 55.620 0.757 2
1 486 . 1 1 A 45 45 LYS CB C 45 32.190 35.008 -2.818 2
1 490 . 1 1 A 45 45 LYS N N 45 118.935 118.839 0.096 2
1 491 . 1 1 A 46 46 VAL H H 46 8.574 8.904 -0.330 2
1 492 . 1 1 A 46 46 VAL HA H 46 3.870 4.643 -0.773 2
1 500 . 1 1 A 46 46 VAL C C 46 173.589 174.608 -1.019 2
1 501 . 1 1 A 46 46 VAL CA C 46 60.777 60.769 0.008 2
1 502 . 1 1 A 46 46 VAL CB C 46 32.263 33.318 -1.055 2
1 505 . 1 1 A 46 46 VAL N N 46 130.468 125.832 4.636 2
1 506 . 1 1 A 47 47 THR H H 47 8.098 8.847 -0.749 2
1 507 . 1 1 A 47 47 THR HA H 47 4.864 4.626 0.238 2
1 512 . 1 1 A 47 47 THR C C 47 173.666 175.231 -1.565 2
1 513 . 1 1 A 47 47 THR CA C 47 61.070 61.775 -0.705 2
1 514 . 1 1 A 47 47 THR CB C 47 69.693 70.038 -0.345 2
1 516 . 1 1 A 47 47 THR N N 47 120.392 122.238 -1.846 2
1 517 . 1 1 A 48 48 CYS H H 48 8.928 9.096 -0.168 2
1 518 . 1 1 A 48 48 CYS HA H 48 4.581 4.601 -0.020 2
1 521 . 1 1 A 48 48 CYS C C 48 174.212 175.660 -1.448 2
1 522 . 1 1 A 48 48 CYS CA C 48 59.848 60.833 -0.985 2
1 523 . 1 1 A 48 48 CYS CB C 48 29.425 27.886 1.539 2
1 524 . 1 1 A 48 48 CYS N N 48 130.472 124.548 5.924 2
1 525 . 1 1 A 49 49 GLU H H 49 7.552 7.944 -0.392 2
1 526 . 1 1 A 49 49 GLU HA H 49 4.647 4.433 0.214 2
1 531 . 1 1 A 49 49 GLU C C 49 175.297 176.638 -1.341 2
1 532 . 1 1 A 49 49 GLU CA C 49 55.852 57.377 -1.525 2
1 533 . 1 1 A 49 49 GLU CB C 49 31.404 30.492 0.912 2
1 535 . 1 1 A 49 49 GLU N N 49 128.705 120.417 8.288 2
1 536 . 1 1 A 50 50 GLY H H 50 8.459 8.250 0.209 2
1 537 . 1 1 A 50 50 GLY HA2 H 50 4.128 4.035 0.093 2
1 538 . 1 1 A 50 50 GLY HA3 H 50 3.916 4.042 -0.126 2
1 539 . 1 1 A 50 50 GLY C C 50 174.247 174.369 -0.122 2
1 540 . 1 1 A 50 50 GLY CA C 50 45.243 45.944 -0.701 2
1 541 . 1 1 A 50 50 GLY N N 50 109.953 109.075 0.878 2
1 542 . 1 1 A 51 51 GLY H H 51 8.548 8.475 0.073 2
1 543 . 1 1 A 51 51 GLY HA2 H 51 3.991 4.055 -0.064 2
1 544 . 1 1 A 51 51 GLY HA3 H 51 3.991 4.057 -0.066 2
1 545 . 1 1 A 51 51 GLY C C 51 174.381 174.427 -0.046 2
1 546 . 1 1 A 51 51 GLY CA C 51 45.714 45.817 -0.103 2
1 547 . 1 1 A 51 51 GLY N N 51 109.074 110.357 -1.283 2
1 548 . 1 1 A 52 52 ASN H H 52 8.740 8.292 0.448 2
1 549 . 1 1 A 52 52 ASN HA H 52 4.566 4.777 -0.211 2
1 554 . 1 1 A 52 52 ASN C C 52 175.686 176.107 -0.421 2
1 555 . 1 1 A 52 52 ASN CA C 52 53.618 54.157 -0.539 2
1 556 . 1 1 A 52 52 ASN CB C 52 38.009 39.811 -1.802 2
1 557 . 1 1 A 52 52 ASN N N 52 118.415 119.320 -0.905 2
1 559 . 1 1 A 53 53 GLY H H 53 8.367 8.097 0.270 2
1 560 . 1 1 A 53 53 GLY HA2 H 53 4.101 3.973 0.128 2
1 561 . 1 1 A 53 53 GLY HA3 H 53 3.808 3.975 -0.167 2
1 562 . 1 1 A 53 53 GLY C C 53 174.323 174.583 -0.260 2
1 563 . 1 1 A 53 53 GLY CA C 53 45.675 46.045 -0.370 2
1 564 . 1 1 A 53 53 GLY N N 53 107.419 107.798 -0.379 2
1 565 . 1 1 A 54 54 LEU H H 54 7.703 7.877 -0.174 2
1 566 . 1 1 A 54 54 LEU HA H 54 4.405 4.405 0.000 2
1 576 . 1 1 A 54 54 LEU C C 54 177.359 176.975 0.384 2
1 577 . 1 1 A 54 54 LEU CA C 54 55.162 55.361 -0.199 2
1 578 . 1 1 A 54 54 LEU CB C 54 42.742 42.895 -0.153 2
1 582 . 1 1 A 54 54 LEU N N 54 121.020 121.439 -0.419 2
1 583 . 1 1 A 55 55 GLY H H 55 8.265 8.439 -0.174 2
1 584 . 1 1 A 55 55 GLY HA2 H 55 4.112 4.128 -0.016 2
1 585 . 1 1 A 55 55 GLY HA3 H 55 4.112 4.139 -0.027 2
1 586 . 1 1 A 55 55 GLY C C 55 174.453 174.717 -0.264 2
1 587 . 1 1 A 55 55 GLY CA C 55 45.438 45.776 -0.338 2
1 588 . 1 1 A 55 55 GLY N N 55 109.910 108.341 1.569 2
1 589 . 1 1 A 56 56 CYS H H 56 10.071 8.663 1.408 2
1 590 . 1 1 A 56 56 CYS HA H 56 4.928 4.323 0.605 2
1 593 . 1 1 A 56 56 CYS C C 56 177.993 175.161 2.832 2
1 594 . 1 1 A 56 56 CYS CA C 56 59.541 60.465 -0.924 2
1 595 . 1 1 A 56 56 CYS CB C 56 32.099 28.202 3.897 2
1 596 . 1 1 A 56 56 CYS N N 56 124.504 123.191 1.313 2
1 597 . 1 1 A 57 57 GLY H H 57 9.174 8.355 0.819 2
1 598 . 1 1 A 57 57 GLY HA2 H 57 4.313 3.982 0.331 2
1 599 . 1 1 A 57 57 GLY HA3 H 57 3.668 3.998 -0.330 2
1 600 . 1 1 A 57 57 GLY C C 57 173.686 173.760 -0.074 2
1 601 . 1 1 A 57 57 GLY CA C 57 45.860 45.285 0.575 2
1 602 . 1 1 A 57 57 GLY N N 57 114.428 108.545 5.883 2
1 603 . 1 1 A 58 58 PHE H H 58 9.036 7.802 1.234 2
1 604 . 1 1 A 58 58 PHE HA H 58 4.623 4.843 -0.220 2
1 611 . 1 1 A 58 58 PHE C C 58 173.896 174.446 -0.550 2
1 612 . 1 1 A 58 58 PHE CA C 58 58.969 56.504 2.465 2
1 613 . 1 1 A 58 58 PHE CB C 58 41.132 41.432 -0.300 2
1 614 . 1 1 A 58 58 PHE N N 58 125.130 120.410 4.720 2
1 615 . 1 1 A 59 59 ALA H H 59 7.570 8.385 -0.815 2
1 616 . 1 1 A 59 59 ALA HA H 59 5.486 4.896 0.590 2
1 620 . 1 1 A 59 59 ALA C C 59 176.469 177.640 -1.171 2
1 621 . 1 1 A 59 59 ALA CA C 59 49.817 52.454 -2.637 2
1 622 . 1 1 A 59 59 ALA CB C 59 19.826 19.440 0.386 2
1 623 . 1 1 A 59 59 ALA N N 59 128.638 129.784 -1.145 2
1 624 . 1 1 A 60 60 PHE H H 60 9.387 8.694 0.693 2
1 625 . 1 1 A 60 60 PHE HA H 60 5.204 5.603 -0.399 2
1 632 . 1 1 A 60 60 PHE C C 60 172.955 172.521 0.434 2
1 633 . 1 1 A 60 60 PHE CA C 60 54.353 55.362 -1.009 2
1 634 . 1 1 A 60 60 PHE CB C 60 42.246 41.726 0.520 2
1 637 . 1 1 A 60 60 PHE N N 60 121.410 116.281 5.130 2
1 638 . 1 1 A 61 61 CYS H H 61 8.772 8.916 -0.144 2
1 639 . 1 1 A 61 61 CYS HA H 61 4.754 4.748 0.006 2
1 642 . 1 1 A 61 61 CYS C C 61 177.353 175.436 1.917 2
1 643 . 1 1 A 61 61 CYS CA C 61 58.032 57.315 0.717 2
1 644 . 1 1 A 61 61 CYS CB C 61 32.242 29.758 2.484 2
1 645 . 1 1 A 61 61 CYS N N 61 120.610 120.345 0.265 2
1 646 . 1 1 A 62 62 ARG H H 62 9.535 8.594 0.941 2
1 647 . 1 1 A 62 62 ARG HA H 62 4.027 4.042 -0.015 2
1 654 . 1 1 A 62 62 ARG C C 62 175.657 178.079 -2.422 2
1 655 . 1 1 A 62 62 ARG CA C 62 59.330 59.127 0.203 2
1 656 . 1 1 A 62 62 ARG CB C 62 31.196 29.916 1.280 2
1 659 . 1 1 A 62 62 ARG N N 62 130.041 127.475 2.566 2
1 660 . 1 1 A 63 63 GLU H H 63 8.721 7.940 0.781 2
1 661 . 1 1 A 63 63 GLU HA H 63 4.394 4.107 0.286 2
1 666 . 1 1 A 63 63 GLU C C 63 177.341 178.137 -0.796 2
1 667 . 1 1 A 63 63 GLU CA C 63 58.404 59.409 -1.005 2
1 668 . 1 1 A 63 63 GLU CB C 63 30.501 29.535 0.966 2
1 670 . 1 1 A 63 63 GLU N N 63 118.534 119.196 -0.662 2
1 671 . 1 1 A 64 64 CYS H H 64 8.050 7.734 0.316 2
1 672 . 1 1 A 64 64 CYS HA H 64 4.962 4.550 0.412 2
1 675 . 1 1 A 64 64 CYS C C 64 176.019 175.453 0.566 2
1 676 . 1 1 A 64 64 CYS CA C 64 58.858 58.295 0.563 2
1 677 . 1 1 A 64 64 CYS CB C 64 32.103 27.617 4.486 2
1 678 . 1 1 A 64 64 CYS N N 64 116.495 114.933 1.562 2
1 679 . 1 1 A 65 65 LYS H H 65 8.489 8.134 0.355 2
1 680 . 1 1 A 65 65 LYS HA H 65 4.191 4.503 -0.312 2
1 687 . 1 1 A 65 65 LYS C C 65 174.742 175.432 -0.690 2
1 688 . 1 1 A 65 65 LYS CA C 65 58.883 57.282 1.601 2
1 689 . 1 1 A 65 65 LYS CB C 65 28.865 30.185 -1.320 2
1 693 . 1 1 A 65 65 LYS N N 65 117.320 120.387 -3.067 2
1 694 . 1 1 A 66 66 GLU H H 66 8.272 7.444 0.828 2
1 695 . 1 1 A 66 66 GLU HA H 66 4.721 4.901 -0.180 2
1 700 . 1 1 A 66 66 GLU C C 66 175.422 175.665 -0.243 2
1 701 . 1 1 A 66 66 GLU CA C 66 55.285 54.481 0.804 2
1 702 . 1 1 A 66 66 GLU CB C 66 31.666 32.864 -1.198 2
1 704 . 1 1 A 66 66 GLU N N 66 117.719 118.943 -1.224 2
1 705 . 1 1 A 67 67 ALA H H 67 8.766 8.478 0.288 2
1 706 . 1 1 A 67 67 ALA HA H 67 4.177 4.485 -0.308 2
1 710 . 1 1 A 67 67 ALA C C 67 177.459 177.056 0.403 2
1 711 . 1 1 A 67 67 ALA CA C 67 53.019 53.157 -0.138 2
1 712 . 1 1 A 67 67 ALA CB C 67 18.548 19.076 -0.528 2
1 713 . 1 1 A 67 67 ALA N N 67 120.597 124.252 -3.655 2
1 714 . 1 1 A 68 68 TYR H H 68 8.061 8.978 -0.917 2
1 715 . 1 1 A 68 68 TYR HA H 68 4.531 4.367 0.164 2
1 722 . 1 1 A 68 68 TYR CA C 68 58.242 59.112 -0.870 2
1 723 . 1 1 A 68 68 TYR CB C 68 38.531 38.999 -0.468 2
1 728 . 1 1 A 68 68 TYR N N 68 120.592 123.905 -3.313 2
1 729 . 1 1 A 69 69 HIS HA H 69 4.643 5.078 -0.435 2
1 734 . 1 1 A 69 69 HIS C C 69 173.158 175.356 -2.198 2
1 735 . 1 1 A 69 69 HIS CA C 69 51.310 55.256 -3.946 2
1 736 . 1 1 A 69 69 HIS CB C 69 32.038 31.464 0.574 2
1 739 . 1 1 A 70 70 GLU H H 70 8.796 8.613 0.183 2
1 740 . 1 1 A 70 70 GLU HA H 70 4.238 4.254 -0.016 2
1 745 . 1 1 A 70 70 GLU C C 70 178.838 176.531 2.307 2
1 746 . 1 1 A 70 70 GLU CA C 70 55.450 57.527 -2.077 2
1 747 . 1 1 A 70 70 GLU CB C 70 30.527 28.888 1.639 2
1 749 . 1 1 A 70 70 GLU N N 70 120.194 118.741 1.453 2
1 750 . 1 1 A 71 71 GLY H H 71 8.876 8.055 0.821 2
1 751 . 1 1 A 71 71 GLY HA2 H 71 4.082 4.049 0.033 2
1 752 . 1 1 A 71 71 GLY HA3 H 71 3.910 4.087 -0.177 2
1 753 . 1 1 A 71 71 GLY C C 71 173.634 172.360 1.274 2
1 754 . 1 1 A 71 71 GLY CA C 71 45.615 45.666 -0.051 2
1 755 . 1 1 A 71 71 GLY N N 71 111.118 108.076 3.042 2
1 756 . 1 1 A 72 72 GLU H H 72 8.391 7.936 0.456 2
1 757 . 1 1 A 72 72 GLU HA H 72 4.360 4.564 -0.204 2
1 762 . 1 1 A 72 72 GLU C C 72 177.319 175.463 1.856 2
1 763 . 1 1 A 72 72 GLU CA C 72 56.571 55.203 1.367 2
1 764 . 1 1 A 72 72 GLU CB C 72 30.411 33.163 -2.752 2
1 766 . 1 1 A 72 72 GLU N N 72 118.939 119.526 -0.587 2
1 767 . 1 1 A 73 73 CYS H H 73 8.574 8.759 -0.185 2
1 768 . 1 1 A 73 73 CYS HA H 73 3.770 4.197 -0.427 2
1 771 . 1 1 A 73 73 CYS C C 73 176.052 176.427 -0.375 2
1 772 . 1 1 A 73 73 CYS CA C 73 60.416 61.739 -1.323 2
1 773 . 1 1 A 73 73 CYS CB C 73 30.793 27.184 3.609 2
1 774 . 1 1 A 73 73 CYS N N 73 123.479 122.668 0.812 2
1 775 . 1 1 A 74 74 SER H H 74 8.541 8.044 0.497 2
1 776 . 1 1 A 74 74 SER HA H 74 4.288 4.297 -0.009 2
1 779 . 1 1 A 74 74 SER C C 74 174.140 174.768 -0.628 2
1 780 . 1 1 A 74 74 SER CA C 74 58.591 60.407 -1.816 2
1 781 . 1 1 A 74 74 SER CB C 74 63.626 63.152 0.474 2
1 782 . 1 1 A 74 74 SER N N 74 117.297 115.744 1.553 2
1 783 . 1 1 A 75 75 ALA H H 75 8.092 7.701 0.391 2
1 784 . 1 1 A 75 75 ALA HA H 75 4.312 4.429 -0.117 2
1 788 . 1 1 A 75 75 ALA C C 75 177.173 176.772 0.401 2
1 789 . 1 1 A 75 75 ALA CA C 75 52.403 51.724 0.679 2
1 790 . 1 1 A 75 75 ALA CB C 75 19.546 20.043 -0.497 2
1 791 . 1 1 A 75 75 ALA N N 75 125.952 122.315 3.637 2
1 792 . 1 1 A 76 76 VAL H H 76 7.934 8.317 -0.383 2
1 793 . 1 1 A 76 76 VAL HA H 76 4.028 4.271 -0.243 2
1 801 . 1 1 A 76 76 VAL C C 76 175.784 175.496 0.288 2
1 802 . 1 1 A 76 76 VAL CA C 76 62.265 62.617 -0.352 2
1 803 . 1 1 A 76 76 VAL CB C 76 32.893 33.144 -0.251 2
1 806 . 1 1 A 76 76 VAL N N 76 118.959 121.288 -2.329 2
1 807 . 1 1 A 77 77 PHE H H 77 8.283 8.581 -0.298 2
1 808 . 1 1 A 77 77 PHE HA H 77 4.670 4.717 -0.047 2
1 813 . 1 1 A 77 77 PHE C C 77 175.335 174.977 0.358 2
1 814 . 1 1 A 77 77 PHE CA C 77 57.588 57.492 0.096 2
1 815 . 1 1 A 77 77 PHE CB C 77 39.899 40.188 -0.289 2
1 818 . 1 1 A 77 77 PHE N N 77 124.298 124.774 -0.476 2
1 819 . 1 1 A 78 78 GLU H H 78 8.262 8.422 -0.160 2
1 820 . 1 1 A 78 78 GLU HA H 78 4.251 4.555 -0.304 2
1 825 . 1 1 A 78 78 GLU C C 78 175.451 176.071 -0.620 2
1 826 . 1 1 A 78 78 GLU CA C 78 56.179 56.006 0.173 2
1 827 . 1 1 A 78 78 GLU CB C 78 30.676 31.737 -1.061 2
1 829 . 1 1 A 78 78 GLU N N 78 123.482 122.123 1.359 2
1 830 . 1 1 A 79 79 ALA H H 79 8.279 8.370 -0.091 2
1 831 . 1 1 A 79 79 ALA HA H 79 4.341 4.434 -0.093 2
1 835 . 1 1 A 79 79 ALA C C 79 176.767 177.917 -1.150 2
1 836 . 1 1 A 79 79 ALA CA C 79 52.512 53.017 -0.505 2
1 837 . 1 1 A 79 79 ALA CB C 79 19.493 19.662 -0.169 2
1 838 . 1 1 A 79 79 ALA N N 79 126.363 124.680 1.683 2
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