data_10272_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10272
_Entry.PDB_ID 2EKH
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.494 4.752 -0.258 1
1 2 . 1 1 1 A 6 6 SER CA C 6 58.785 57.651 1.134 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.483 63.125 0.358 1
1 4 . 1 1 1 A 7 7 GLY H H 7 8.367 7.934 0.433 1
1 5 . 1 1 1 A 7 7 GLY HA2 H 7 3.955 3.906 0.049 1
1 6 . 1 1 1 A 7 7 GLY HA3 H 7 3.955 3.907 0.048 1
1 7 . 1 1 1 A 7 7 GLY C C 7 173.640 174.399 -0.759 1
1 8 . 1 1 1 A 7 7 GLY CA C 7 45.215 46.916 -1.701 1
1 9 . 1 1 1 A 7 7 GLY N N 7 110.787 110.175 0.612 1
1 10 . 1 1 1 A 8 8 ALA H H 8 8.126 7.726 0.400 1
1 11 . 1 1 1 A 8 8 ALA HA H 8 4.458 4.922 -0.464 1
1 15 . 1 1 1 A 8 8 ALA C C 8 177.711 175.507 2.204 1
1 16 . 1 1 1 A 8 8 ALA CA C 8 52.493 50.899 1.594 1
1 17 . 1 1 1 A 8 8 ALA CB C 8 19.761 23.238 -3.477 1
1 18 . 1 1 1 A 8 8 ALA N N 8 123.680 121.964 1.716 1
1 19 . 1 1 1 A 9 9 THR H H 9 8.254 8.760 -0.506 1
1 20 . 1 1 1 A 9 9 THR HA H 9 4.527 4.893 -0.366 1
1 25 . 1 1 1 A 9 9 THR C C 9 174.050 173.538 0.512 1
1 26 . 1 1 1 A 9 9 THR CA C 9 61.874 60.978 0.896 1
1 27 . 1 1 1 A 9 9 THR CB C 9 70.580 72.005 -1.425 1
1 29 . 1 1 1 A 9 9 THR N N 9 113.196 114.110 -0.914 1
1 30 . 1 1 1 A 10 10 SER H H 10 8.264 8.898 -0.634 1
1 31 . 1 1 1 A 10 10 SER HA H 10 5.228 5.347 -0.119 1
1 34 . 1 1 1 A 10 10 SER C C 10 173.318 173.492 -0.174 1
1 35 . 1 1 1 A 10 10 SER CA C 10 58.404 57.251 1.153 1
1 36 . 1 1 1 A 10 10 SER CB C 10 64.098 64.767 -0.669 1
1 37 . 1 1 1 A 10 10 SER N N 10 120.509 120.221 0.288 1
1 38 . 1 1 1 A 11 11 TYR H H 11 8.957 9.484 -0.527 1
1 39 . 1 1 1 A 11 11 TYR HA H 11 4.793 5.219 -0.426 1
1 46 . 1 1 1 A 11 11 TYR C C 11 174.111 175.048 -0.937 1
1 47 . 1 1 1 A 11 11 TYR CA C 11 57.097 56.484 0.613 1
1 48 . 1 1 1 A 11 11 TYR CB C 11 43.764 42.653 1.111 1
1 53 . 1 1 1 A 11 11 TYR N N 11 124.069 121.637 2.432 1
1 54 . 1 1 1 A 12 12 MET H H 12 8.985 9.003 -0.018 1
1 55 . 1 1 1 A 12 12 MET HA H 12 5.463 5.272 0.191 1
1 63 . 1 1 1 A 12 12 MET C C 12 177.045 175.436 1.609 1
1 64 . 1 1 1 A 12 12 MET CA C 12 52.215 54.048 -1.833 1
1 65 . 1 1 1 A 12 12 MET CB C 12 33.195 34.494 -1.299 1
1 68 . 1 1 1 A 12 12 MET N N 12 118.428 120.854 -2.426 1
1 69 . 1 1 1 A 13 13 THR H H 13 9.132 8.880 0.252 1
1 70 . 1 1 1 A 13 13 THR HA H 13 4.872 4.554 0.318 1
1 75 . 1 1 1 A 13 13 THR C C 13 177.032 174.109 2.923 1
1 76 . 1 1 1 A 13 13 THR CA C 13 60.003 61.800 -1.797 1
1 77 . 1 1 1 A 13 13 THR CB C 13 69.597 69.611 -0.014 1
1 79 . 1 1 1 A 13 13 THR N N 13 113.981 116.755 -2.774 1
1 80 . 1 1 1 A 14 14 CYS H H 14 9.504 8.527 0.977 1
1 81 . 1 1 1 A 14 14 CYS HA H 14 4.806 4.603 0.203 1
1 84 . 1 1 1 A 14 14 CYS C C 14 173.712 173.708 0.004 1
1 85 . 1 1 1 A 14 14 CYS CA C 14 57.209 59.023 -1.814 1
1 86 . 1 1 1 A 14 14 CYS CB C 14 28.772 29.473 -0.701 1
1 87 . 1 1 1 A 14 14 CYS N N 14 122.485 121.811 0.674 1
1 88 . 1 1 1 A 15 15 SER H H 15 7.796 7.819 -0.023 1
1 89 . 1 1 1 A 15 15 SER HA H 15 4.578 5.074 -0.496 1
1 92 . 1 1 1 A 15 15 SER C C 15 171.037 173.101 -2.064 1
1 93 . 1 1 1 A 15 15 SER CA C 15 56.858 57.801 -0.943 1
1 94 . 1 1 1 A 15 15 SER CB C 15 66.124 65.776 0.348 1
1 95 . 1 1 1 A 15 15 SER N N 15 116.311 114.937 1.374 1
1 96 . 1 1 1 A 16 16 ALA H H 16 8.398 8.650 -0.252 1
1 97 . 1 1 1 A 16 16 ALA HA H 16 4.582 4.569 0.013 1
1 101 . 1 1 1 A 16 16 ALA C C 16 176.897 176.404 0.493 1
1 102 . 1 1 1 A 16 16 ALA CA C 16 52.085 52.948 -0.863 1
1 103 . 1 1 1 A 16 16 ALA CB C 16 19.720 18.944 0.776 1
1 104 . 1 1 1 A 16 16 ALA N N 16 124.071 128.755 -4.684 1
1 105 . 1 1 1 A 17 17 TYR H H 17 8.401 8.101 0.300 1
1 106 . 1 1 1 A 17 17 TYR HA H 17 4.384 4.997 -0.613 1
1 113 . 1 1 1 A 17 17 TYR C C 17 173.836 173.885 -0.049 1
1 114 . 1 1 1 A 17 17 TYR CA C 17 57.801 57.946 -0.145 1
1 115 . 1 1 1 A 17 17 TYR CB C 17 42.166 40.362 1.804 1
1 120 . 1 1 1 A 17 17 TYR N N 17 121.997 126.261 -4.264 1
1 121 . 1 1 1 A 18 18 GLN H H 18 6.844 8.205 -1.361 1
1 122 . 1 1 1 A 18 18 GLN HA H 18 4.318 4.521 -0.203 1
1 129 . 1 1 1 A 18 18 GLN C C 18 172.990 174.717 -1.727 1
1 130 . 1 1 1 A 18 18 GLN CA C 18 52.767 53.458 -0.691 1
1 131 . 1 1 1 A 18 18 GLN CB C 18 29.940 31.350 -1.410 1
1 133 . 1 1 1 A 18 18 GLN N N 18 127.603 127.087 0.516 1
1 135 . 1 1 1 A 19 19 LYS H H 19 8.155 8.259 -0.104 1
1 136 . 1 1 1 A 19 19 LYS HA H 19 4.130 4.315 -0.185 1
1 145 . 1 1 1 A 19 19 LYS C C 19 175.995 176.455 -0.460 1
1 146 . 1 1 1 A 19 19 LYS CA C 19 56.489 56.558 -0.069 1
1 147 . 1 1 1 A 19 19 LYS CB C 19 33.369 32.864 0.505 1
1 151 . 1 1 1 A 19 19 LYS N N 19 123.114 124.155 -1.041 1
1 152 . 1 1 1 A 20 20 VAL H H 20 8.679 9.105 -0.426 1
1 153 . 1 1 1 A 20 20 VAL HA H 20 4.153 4.172 -0.019 1
1 161 . 1 1 1 A 20 20 VAL C C 20 176.493 175.805 0.688 1
1 162 . 1 1 1 A 20 20 VAL CA C 20 62.520 63.311 -0.791 1
1 163 . 1 1 1 A 20 20 VAL CB C 20 32.847 32.771 0.076 1
1 166 . 1 1 1 A 20 20 VAL N N 20 120.106 122.386 -2.280 1
1 167 . 1 1 1 A 21 21 GLN H H 21 7.133 7.942 -0.809 1
1 168 . 1 1 1 A 21 21 GLN HA H 21 4.582 4.705 -0.123 1
1 175 . 1 1 1 A 21 21 GLN C C 21 177.019 176.266 0.753 1
1 176 . 1 1 1 A 21 21 GLN CA C 21 54.291 54.180 0.111 1
1 177 . 1 1 1 A 21 21 GLN CB C 21 31.023 31.712 -0.689 1
1 179 . 1 1 1 A 21 21 GLN N N 21 116.079 119.752 -3.673 1
1 181 . 1 1 1 A 22 22 ASP H H 22 8.858 9.094 -0.236 1
1 182 . 1 1 1 A 22 22 ASP HA H 22 4.318 4.340 -0.022 1
1 185 . 1 1 1 A 22 22 ASP C C 22 176.746 178.490 -1.744 1
1 186 . 1 1 1 A 22 22 ASP CA C 22 57.752 56.946 0.806 1
1 187 . 1 1 1 A 22 22 ASP CB C 22 40.859 40.436 0.423 1
1 188 . 1 1 1 A 22 22 ASP N N 22 120.173 123.116 -2.943 1
1 189 . 1 1 1 A 23 23 SER H H 23 7.860 8.028 -0.168 1
1 190 . 1 1 1 A 23 23 SER HA H 23 4.648 4.333 0.315 1
1 193 . 1 1 1 A 23 23 SER C C 23 175.526 175.493 0.033 1
1 194 . 1 1 1 A 23 23 SER CA C 23 58.597 61.622 -3.025 1
1 195 . 1 1 1 A 23 23 SER CB C 23 62.993 63.098 -0.105 1
1 196 . 1 1 1 A 23 23 SER N N 23 110.013 114.392 -4.379 1
1 197 . 1 1 1 A 24 24 GLU H H 24 7.579 8.013 -0.434 1
1 198 . 1 1 1 A 24 24 GLU HA H 24 5.574 4.714 0.860 1
1 203 . 1 1 1 A 24 24 GLU C C 24 174.394 175.498 -1.104 1
1 204 . 1 1 1 A 24 24 GLU CA C 24 55.633 57.414 -1.781 1
1 205 . 1 1 1 A 24 24 GLU CB C 24 32.848 30.839 2.009 1
1 207 . 1 1 1 A 24 24 GLU N N 24 122.542 119.262 3.280 1
1 208 . 1 1 1 A 25 25 ILE H H 25 7.894 8.738 -0.844 1
1 209 . 1 1 1 A 25 25 ILE HA H 25 4.661 5.031 -0.370 1
1 219 . 1 1 1 A 25 25 ILE C C 25 171.519 174.337 -2.818 1
1 220 . 1 1 1 A 25 25 ILE CA C 25 58.838 59.487 -0.649 1
1 221 . 1 1 1 A 25 25 ILE CB C 25 42.673 42.369 0.304 1
1 225 . 1 1 1 A 25 25 ILE N N 25 117.944 123.267 -5.323 1
1 226 . 1 1 1 A 26 26 SER H H 26 7.535 9.101 -1.566 1
1 227 . 1 1 1 A 26 26 SER HA H 26 4.885 5.328 -0.443 1
1 230 . 1 1 1 A 26 26 SER C C 26 174.052 174.012 0.040 1
1 231 . 1 1 1 A 26 26 SER CA C 26 56.515 57.180 -0.665 1
1 232 . 1 1 1 A 26 26 SER CB C 26 65.131 64.962 0.169 1
1 233 . 1 1 1 A 26 26 SER N N 26 116.426 124.139 -7.713 1
1 234 . 1 1 1 A 27 27 PHE H H 27 8.271 8.312 -0.041 1
1 235 . 1 1 1 A 27 27 PHE HA H 27 4.934 5.335 -0.401 1
1 243 . 1 1 1 A 27 27 PHE C C 27 173.278 173.059 0.219 1
1 244 . 1 1 1 A 27 27 PHE CA C 27 53.758 54.968 -1.210 1
1 245 . 1 1 1 A 27 27 PHE CB C 27 37.379 41.753 -4.374 1
1 251 . 1 1 1 A 27 27 PHE N N 27 116.221 118.805 -2.584 1
1 252 . 1 1 1 A 28 28 PRO HA H 28 4.872 4.687 0.185 1
1 259 . 1 1 1 A 28 28 PRO C C 28 176.165 175.826 0.339 1
1 260 . 1 1 1 A 28 28 PRO CA C 28 61.019 62.456 -1.437 1
1 261 . 1 1 1 A 28 28 PRO CB C 28 32.410 32.817 -0.407 1
1 264 . 1 1 1 A 29 29 ALA H H 29 8.513 8.328 0.185 1
1 265 . 1 1 1 A 29 29 ALA HA H 29 3.822 4.641 -0.819 1
1 269 . 1 1 1 A 29 29 ALA C C 29 178.074 177.908 0.166 1
1 270 . 1 1 1 A 29 29 ALA CA C 29 52.670 52.191 0.479 1
1 271 . 1 1 1 A 29 29 ALA CB C 29 19.721 19.448 0.273 1
1 272 . 1 1 1 A 29 29 ALA N N 29 120.286 123.722 -3.436 1
1 273 . 1 1 1 A 30 30 GLY H H 30 8.022 8.489 -0.467 1
1 274 . 1 1 1 A 30 30 GLY HA2 H 30 3.956 4.092 -0.136 1
1 275 . 1 1 1 A 30 30 GLY HA3 H 30 3.733 4.100 -0.367 1
1 276 . 1 1 1 A 30 30 GLY C C 30 174.944 173.717 1.227 1
1 277 . 1 1 1 A 30 30 GLY CA C 30 46.739 45.044 1.695 1
1 278 . 1 1 1 A 30 30 GLY N N 30 110.746 111.102 -0.356 1
1 279 . 1 1 1 A 31 31 VAL H H 31 7.736 7.368 0.368 1
1 280 . 1 1 1 A 31 31 VAL HA H 31 4.753 4.871 -0.118 1
1 288 . 1 1 1 A 31 31 VAL C C 31 173.642 173.735 -0.093 1
1 289 . 1 1 1 A 31 31 VAL CA C 31 58.809 59.001 -0.192 1
1 290 . 1 1 1 A 31 31 VAL CB C 31 34.719 35.687 -0.968 1
1 293 . 1 1 1 A 31 31 VAL N N 31 112.109 115.381 -3.272 1
1 294 . 1 1 1 A 32 32 GLU H H 32 8.264 8.886 -0.622 1
1 295 . 1 1 1 A 32 32 GLU HA H 32 5.090 5.247 -0.157 1
1 300 . 1 1 1 A 32 32 GLU C C 32 176.725 175.478 1.247 1
1 301 . 1 1 1 A 32 32 GLU CA C 32 55.713 54.903 0.810 1
1 302 . 1 1 1 A 32 32 GLU CB C 32 31.615 32.686 -1.071 1
1 304 . 1 1 1 A 32 32 GLU N N 32 121.304 121.850 -0.546 1
1 305 . 1 1 1 A 33 33 VAL H H 33 9.136 8.854 0.282 1
1 306 . 1 1 1 A 33 33 VAL HA H 33 5.001 4.806 0.195 1
1 314 . 1 1 1 A 33 33 VAL C C 33 174.395 173.436 0.959 1
1 315 . 1 1 1 A 33 33 VAL CA C 33 58.765 59.003 -0.238 1
1 316 . 1 1 1 A 33 33 VAL CB C 33 34.596 35.703 -1.107 1
1 319 . 1 1 1 A 33 33 VAL N N 33 117.728 119.071 -1.343 1
1 320 . 1 1 1 A 34 34 GLN H H 34 8.551 8.436 0.115 1
1 321 . 1 1 1 A 34 34 GLN HA H 34 5.052 4.960 0.092 1
1 328 . 1 1 1 A 34 34 GLN C C 34 175.752 174.916 0.836 1
1 329 . 1 1 1 A 34 34 GLN CA C 34 54.328 54.259 0.069 1
1 330 . 1 1 1 A 34 34 GLN CB C 34 30.760 31.821 -1.061 1
1 332 . 1 1 1 A 34 34 GLN N N 34 119.032 122.286 -3.254 1
1 334 . 1 1 1 A 35 35 VAL H H 35 9.180 8.978 0.202 1
1 335 . 1 1 1 A 35 35 VAL HA H 35 4.144 4.038 0.106 1
1 343 . 1 1 1 A 35 35 VAL C C 35 175.602 175.258 0.344 1
1 344 . 1 1 1 A 35 35 VAL CA C 35 63.035 63.077 -0.042 1
1 345 . 1 1 1 A 35 35 VAL CB C 35 32.056 30.979 1.077 1
1 348 . 1 1 1 A 35 35 VAL N N 35 124.135 127.483 -3.348 1
1 349 . 1 1 1 A 36 36 LEU H H 36 9.175 8.934 0.241 1
1 350 . 1 1 1 A 36 36 LEU HA H 36 4.429 4.176 0.253 1
1 360 . 1 1 1 A 36 36 LEU C C 36 177.299 177.170 0.129 1
1 361 . 1 1 1 A 36 36 LEU CA C 36 55.785 57.544 -1.759 1
1 362 . 1 1 1 A 36 36 LEU CB C 36 42.924 42.452 0.472 1
1 366 . 1 1 1 A 36 36 LEU N N 36 129.320 129.645 -0.325 1
1 367 . 1 1 1 A 37 37 GLU H H 37 7.569 7.763 -0.194 1
1 368 . 1 1 1 A 37 37 GLU HA H 37 4.414 4.794 -0.380 1
1 373 . 1 1 1 A 37 37 GLU C C 37 174.132 175.462 -1.330 1
1 374 . 1 1 1 A 37 37 GLU CA C 37 56.244 54.810 1.434 1
1 375 . 1 1 1 A 37 37 GLU CB C 37 33.236 32.690 0.546 1
1 377 . 1 1 1 A 37 37 GLU N N 37 116.925 116.585 0.340 1
1 378 . 1 1 1 A 38 38 LYS H H 38 8.693 8.703 -0.010 1
1 379 . 1 1 1 A 38 38 LYS HA H 38 4.181 5.169 -0.988 1
1 388 . 1 1 1 A 38 38 LYS C C 38 175.877 175.433 0.444 1
1 389 . 1 1 1 A 38 38 LYS CA C 38 55.579 54.959 0.620 1
1 390 . 1 1 1 A 38 38 LYS CB C 38 34.965 35.633 -0.668 1
1 394 . 1 1 1 A 38 38 LYS N N 38 124.828 119.424 5.404 1
1 395 . 1 1 1 A 39 39 GLN H H 39 7.682 9.034 -1.352 1
1 396 . 1 1 1 A 39 39 GLN HA H 39 4.896 4.649 0.247 1
1 403 . 1 1 1 A 39 39 GLN C C 39 177.964 177.161 0.803 1
1 404 . 1 1 1 A 39 39 GLN CA C 39 55.324 55.280 0.044 1
1 405 . 1 1 1 A 39 39 GLN CB C 39 31.670 30.198 1.472 1
1 407 . 1 1 1 A 39 39 GLN N N 39 119.391 123.773 -4.382 1
1 409 . 1 1 1 A 40 40 GLU HA H 40 4.308 4.449 -0.141 1
1 414 . 1 1 1 A 40 40 GLU C C 40 176.777 177.309 -0.532 1
1 415 . 1 1 1 A 40 40 GLU CA C 40 58.541 58.071 0.470 1
1 416 . 1 1 1 A 40 40 GLU CB C 40 29.363 29.497 -0.134 1
1 418 . 1 1 1 A 41 41 SER H H 41 7.986 7.940 0.046 1
1 419 . 1 1 1 A 41 41 SER HA H 41 4.413 4.633 -0.220 1
1 422 . 1 1 1 A 41 41 SER C C 41 175.434 174.634 0.800 1
1 423 . 1 1 1 A 41 41 SER CA C 41 58.707 59.104 -0.397 1
1 424 . 1 1 1 A 41 41 SER CB C 41 63.871 64.583 -0.712 1
1 425 . 1 1 1 A 41 41 SER N N 41 113.216 113.480 -0.264 1
1 426 . 1 1 1 A 42 42 GLY H H 42 8.135 8.133 0.002 1
1 427 . 1 1 1 A 42 42 GLY HA2 H 42 4.347 3.908 0.439 1
1 428 . 1 1 1 A 42 42 GLY HA3 H 42 3.625 3.975 -0.350 1
1 429 . 1 1 1 A 42 42 GLY C C 42 173.338 174.134 -0.796 1
1 430 . 1 1 1 A 42 42 GLY CA C 42 44.998 45.154 -0.156 1
1 431 . 1 1 1 A 42 42 GLY N N 42 108.513 107.620 0.893 1
1 432 . 1 1 1 A 43 43 TRP H H 43 7.820 8.074 -0.254 1
1 433 . 1 1 1 A 43 43 TRP HA H 43 4.942 4.527 0.415 1
1 442 . 1 1 1 A 43 43 TRP C C 43 174.648 175.969 -1.321 1
1 443 . 1 1 1 A 43 43 TRP CA C 43 57.245 57.211 0.034 1
1 444 . 1 1 1 A 43 43 TRP CB C 43 30.102 29.915 0.187 1
1 450 . 1 1 1 A 43 43 TRP N N 43 122.320 120.958 1.362 1
1 452 . 1 1 1 A 44 44 TRP H H 44 9.769 9.146 0.623 1
1 453 . 1 1 1 A 44 44 TRP HA H 44 5.875 5.571 0.304 1
1 462 . 1 1 1 A 44 44 TRP C C 44 173.703 175.320 -1.617 1
1 463 . 1 1 1 A 44 44 TRP CA C 44 53.298 55.522 -2.224 1
1 464 . 1 1 1 A 44 44 TRP CB C 44 32.961 31.673 1.288 1
1 470 . 1 1 1 A 44 44 TRP N N 44 125.138 124.307 0.831 1
1 472 . 1 1 1 A 45 45 TYR H H 45 9.168 8.631 0.537 1
1 473 . 1 1 1 A 45 45 TYR HA H 45 4.173 4.303 -0.130 1
1 480 . 1 1 1 A 45 45 TYR C C 45 175.086 174.612 0.474 1
1 481 . 1 1 1 A 45 45 TYR CA C 45 58.044 56.502 1.542 1
1 482 . 1 1 1 A 45 45 TYR CB C 45 38.792 38.164 0.628 1
1 487 . 1 1 1 A 45 45 TYR N N 45 127.429 125.327 2.102 1
1 488 . 1 1 1 A 46 46 VAL H H 46 8.689 8.885 -0.196 1
1 489 . 1 1 1 A 46 46 VAL HA H 46 5.142 5.178 -0.036 1
1 497 . 1 1 1 A 46 46 VAL C C 46 172.384 173.777 -1.393 1
1 498 . 1 1 1 A 46 46 VAL CA C 46 59.010 59.679 -0.669 1
1 499 . 1 1 1 A 46 46 VAL CB C 46 35.502 33.671 1.831 1
1 502 . 1 1 1 A 46 46 VAL N N 46 124.245 122.536 1.709 1
1 503 . 1 1 1 A 47 47 ARG H H 47 9.049 8.343 0.706 1
1 504 . 1 1 1 A 47 47 ARG HA H 47 5.163 5.327 -0.164 1
1 512 . 1 1 1 A 47 47 ARG C C 47 175.057 174.013 1.044 1
1 513 . 1 1 1 A 47 47 ARG CA C 47 54.158 54.138 0.020 1
1 514 . 1 1 1 A 47 47 ARG CB C 47 34.146 33.340 0.806 1
1 517 . 1 1 1 A 47 47 ARG N N 47 120.700 121.785 -1.085 1
1 519 . 1 1 1 A 48 48 PHE H H 48 9.042 9.317 -0.275 1
1 520 . 1 1 1 A 48 48 PHE HA H 48 5.296 4.734 0.562 1
1 528 . 1 1 1 A 48 48 PHE C C 48 175.133 175.648 -0.515 1
1 529 . 1 1 1 A 48 48 PHE CA C 48 54.446 56.995 -2.549 1
1 530 . 1 1 1 A 48 48 PHE CB C 48 40.369 41.021 -0.652 1
1 536 . 1 1 1 A 48 48 PHE N N 48 128.029 128.033 -0.004 1
1 537 . 1 1 1 A 49 49 GLY H H 49 9.103 8.851 0.252 1
1 538 . 1 1 1 A 49 49 GLY HA2 H 49 3.644 3.583 0.061 1
1 539 . 1 1 1 A 49 49 GLY HA3 H 49 3.503 3.706 -0.203 1
1 540 . 1 1 1 A 49 49 GLY C C 49 174.287 174.620 -0.333 1
1 541 . 1 1 1 A 49 49 GLY CA C 49 47.008 47.144 -0.136 1
1 542 . 1 1 1 A 49 49 GLY N N 49 118.890 115.960 2.930 1
1 543 . 1 1 1 A 50 50 GLU H H 50 8.920 8.651 0.269 1
1 544 . 1 1 1 A 50 50 GLU HA H 50 4.333 4.470 -0.137 1
1 549 . 1 1 1 A 50 50 GLU C C 50 176.000 175.140 0.860 1
1 550 . 1 1 1 A 50 50 GLU CA C 50 56.080 55.586 0.494 1
1 551 . 1 1 1 A 50 50 GLU CB C 50 30.022 30.337 -0.315 1
1 553 . 1 1 1 A 50 50 GLU N N 50 125.280 126.065 -0.785 1
1 554 . 1 1 1 A 51 51 LEU H H 51 7.792 7.481 0.311 1
1 555 . 1 1 1 A 51 51 LEU HA H 51 4.635 4.891 -0.256 1
1 565 . 1 1 1 A 51 51 LEU C C 51 175.050 174.973 0.077 1
1 566 . 1 1 1 A 51 51 LEU CA C 51 54.074 53.636 0.438 1
1 567 . 1 1 1 A 51 51 LEU CB C 51 44.171 47.145 -2.974 1
1 571 . 1 1 1 A 51 51 LEU N N 51 121.706 119.759 1.947 1
1 572 . 1 1 1 A 52 52 GLU H H 52 8.165 8.717 -0.552 1
1 573 . 1 1 1 A 52 52 GLU HA H 52 5.476 5.243 0.233 1
1 578 . 1 1 1 A 52 52 GLU C C 52 176.062 175.160 0.902 1
1 579 . 1 1 1 A 52 52 GLU CA C 52 53.810 54.727 -0.917 1
1 580 . 1 1 1 A 52 52 GLU CB C 52 33.486 32.587 0.899 1
1 582 . 1 1 1 A 52 52 GLU N N 52 116.700 119.971 -3.271 1
1 583 . 1 1 1 A 53 53 GLY H H 53 8.091 8.674 -0.583 1
1 584 . 1 1 1 A 53 53 GLY HA2 H 53 3.882 4.490 -0.608 1
1 585 . 1 1 1 A 53 53 GLY HA3 H 53 3.730 4.585 -0.855 1
1 586 . 1 1 1 A 53 53 GLY C C 53 170.279 171.789 -1.510 1
1 587 . 1 1 1 A 53 53 GLY CA C 53 45.344 44.325 1.019 1
1 588 . 1 1 1 A 53 53 GLY N N 53 106.613 110.788 -4.175 1
1 589 . 1 1 1 A 54 54 TRP H H 54 8.595 9.020 -0.425 1
1 590 . 1 1 1 A 54 54 TRP HA H 54 5.348 5.553 -0.205 1
1 599 . 1 1 1 A 54 54 TRP C C 54 175.873 176.235 -0.362 1
1 600 . 1 1 1 A 54 54 TRP CA C 54 57.602 57.228 0.374 1
1 601 . 1 1 1 A 54 54 TRP CB C 54 31.176 29.904 1.272 1
1 607 . 1 1 1 A 54 54 TRP N N 54 120.550 121.408 -0.858 1
1 609 . 1 1 1 A 55 55 ALA H H 55 9.993 9.488 0.505 1
1 610 . 1 1 1 A 55 55 ALA HA H 55 4.978 4.387 0.591 1
1 614 . 1 1 1 A 55 55 ALA C C 55 173.642 174.688 -1.046 1
1 615 . 1 1 1 A 55 55 ALA CA C 55 49.335 49.061 0.274 1
1 616 . 1 1 1 A 55 55 ALA CB C 55 22.101 21.174 0.927 1
1 617 . 1 1 1 A 55 55 ALA N N 55 122.386 128.123 -5.737 1
1 618 . 1 1 1 A 56 56 PRO HA H 56 3.586 4.064 -0.478 1
1 625 . 1 1 1 A 56 56 PRO C C 56 178.765 177.027 1.738 1
1 626 . 1 1 1 A 56 56 PRO CA C 56 61.218 62.112 -0.894 1
1 627 . 1 1 1 A 56 56 PRO CB C 56 30.430 31.793 -1.363 1
1 630 . 1 1 1 A 57 57 SER H H 57 8.187 8.101 0.086 1
1 631 . 1 1 1 A 57 57 SER HA H 57 2.721 3.301 -0.580 1
1 634 . 1 1 1 A 57 57 SER C C 57 175.094 175.641 -0.547 1
1 635 . 1 1 1 A 57 57 SER CA C 57 60.865 59.661 1.204 1
1 636 . 1 1 1 A 57 57 SER CB C 57 60.645 61.821 -1.176 1
1 637 . 1 1 1 A 57 57 SER N N 57 120.088 119.607 0.481 1
1 638 . 1 1 1 A 58 58 HIS H H 58 7.482 7.358 0.124 1
1 639 . 1 1 1 A 58 58 HIS HA H 58 4.433 4.138 0.295 1
1 644 . 1 1 1 A 58 58 HIS C C 58 175.763 177.549 -1.786 1
1 645 . 1 1 1 A 58 58 HIS CA C 58 56.938 59.512 -2.574 1
1 646 . 1 1 1 A 58 58 HIS CB C 58 28.597 30.184 -1.587 1
1 649 . 1 1 1 A 58 58 HIS N N 58 115.490 119.026 -3.536 1
1 650 . 1 1 1 A 59 59 TYR H H 59 7.251 7.726 -0.475 1
1 651 . 1 1 1 A 59 59 TYR HA H 59 4.366 4.271 0.095 1
1 658 . 1 1 1 A 59 59 TYR C C 59 173.874 175.947 -2.073 1
1 659 . 1 1 1 A 59 59 TYR CA C 59 58.862 60.629 -1.767 1
1 660 . 1 1 1 A 59 59 TYR CB C 59 36.586 39.046 -2.460 1
1 665 . 1 1 1 A 59 59 TYR N N 59 120.460 116.645 3.815 1
1 666 . 1 1 1 A 60 60 LEU H H 60 7.574 7.386 0.188 1
1 667 . 1 1 1 A 60 60 LEU HA H 60 4.964 4.369 0.595 1
1 677 . 1 1 1 A 60 60 LEU C C 60 175.663 176.679 -1.016 1
1 678 . 1 1 1 A 60 60 LEU CA C 60 53.709 54.127 -0.418 1
1 679 . 1 1 1 A 60 60 LEU CB C 60 42.879 43.115 -0.236 1
1 683 . 1 1 1 A 60 60 LEU N N 60 121.690 119.632 2.058 1
1 684 . 1 1 1 A 61 61 VAL H H 61 9.082 8.469 0.613 1
1 685 . 1 1 1 A 61 61 VAL HA H 61 4.309 4.777 -0.468 1
1 693 . 1 1 1 A 61 61 VAL C C 61 174.803 175.350 -0.547 1
1 694 . 1 1 1 A 61 61 VAL CA C 61 61.381 61.264 0.117 1
1 695 . 1 1 1 A 61 61 VAL CB C 61 33.607 33.229 0.378 1
1 698 . 1 1 1 A 61 61 VAL N N 61 119.010 120.818 -1.808 1
1 699 . 1 1 1 A 62 62 LEU H H 62 8.307 9.128 -0.821 1
1 700 . 1 1 1 A 62 62 LEU HA H 62 4.288 5.317 -1.029 1
1 710 . 1 1 1 A 62 62 LEU C C 62 176.976 176.111 0.865 1
1 711 . 1 1 1 A 62 62 LEU CA C 62 54.807 53.142 1.665 1
1 712 . 1 1 1 A 62 62 LEU CB C 62 42.932 44.254 -1.322 1
1 716 . 1 1 1 A 62 62 LEU N N 62 127.895 127.756 0.139 1
1 717 . 1 1 1 A 63 63 ASP H H 63 8.475 8.705 -0.230 1
1 718 . 1 1 1 A 63 63 ASP HA H 63 4.595 4.748 -0.153 1
1 721 . 1 1 1 A 63 63 ASP C C 63 176.269 174.947 1.322 1
1 722 . 1 1 1 A 63 63 ASP CA C 63 53.903 53.526 0.377 1
1 723 . 1 1 1 A 63 63 ASP CB C 63 41.618 39.114 2.504 1
1 724 . 1 1 1 A 63 63 ASP N N 63 122.904 124.989 -2.085 1
1 725 . 1 1 1 A 64 64 GLU H H 64 8.528 8.453 0.075 1
1 726 . 1 1 1 A 64 64 GLU HA H 64 4.220 4.864 -0.644 1
1 731 . 1 1 1 A 64 64 GLU C C 64 176.504 176.074 0.430 1
1 732 . 1 1 1 A 64 64 GLU CA C 64 57.043 55.563 1.480 1
1 733 . 1 1 1 A 64 64 GLU CB C 64 30.214 31.737 -1.523 1
1 735 . 1 1 1 A 64 64 GLU N N 64 122.471 124.069 -1.598 1
1 736 . 1 1 1 A 65 65 ASN H H 65 8.523 8.582 -0.059 1
1 737 . 1 1 1 A 65 65 ASN HA H 65 4.661 4.937 -0.276 1
1 742 . 1 1 1 A 65 65 ASN C C 65 175.223 175.025 0.198 1
1 743 . 1 1 1 A 65 65 ASN CA C 65 53.674 53.280 0.394 1
1 744 . 1 1 1 A 65 65 ASN CB C 65 39.088 39.075 0.013 1
1 745 . 1 1 1 A 65 65 ASN N N 65 118.895 122.018 -3.123 1
1 747 . 1 1 1 A 66 66 GLU H H 66 8.222 8.972 -0.750 1
1 748 . 1 1 1 A 66 66 GLU HA H 66 4.293 5.132 -0.839 1
1 753 . 1 1 1 A 66 66 GLU C C 66 176.054 175.044 1.010 1
1 754 . 1 1 1 A 66 66 GLU CA C 66 56.432 54.845 1.587 1
1 755 . 1 1 1 A 66 66 GLU CB C 66 30.476 31.288 -0.812 1
1 757 . 1 1 1 A 66 66 GLU N N 66 120.919 122.023 -1.104 1
1 758 . 1 1 1 A 67 67 GLN H H 67 8.293 8.749 -0.456 1
1 759 . 1 1 1 A 67 67 GLN HA H 67 4.582 4.977 -0.395 1
1 766 . 1 1 1 A 67 67 GLN C C 67 173.836 173.387 0.449 1
1 767 . 1 1 1 A 67 67 GLN CA C 67 53.593 53.214 0.379 1
1 768 . 1 1 1 A 67 67 GLN CB C 67 28.949 29.515 -0.566 1
1 770 . 1 1 1 A 67 67 GLN N N 67 122.295 125.506 -3.211 1
1 772 . 1 1 1 A 68 68 PRO HA H 68 4.401 4.712 -0.311 1
1 779 . 1 1 1 A 68 68 PRO CA C 68 62.882 62.323 0.559 1
1 780 . 1 1 1 A 68 68 PRO CB C 68 32.175 29.555 2.620 1
1 783 . 1 1 1 A 69 69 ASP H H 69 8.502 8.106 0.396 1
1 784 . 1 1 1 A 69 69 ASP HA H 69 4.836 4.963 -0.127 1
1 787 . 1 1 1 A 69 69 ASP CA C 69 51.945 52.154 -0.209 1
1 788 . 1 1 1 A 69 69 ASP CB C 69 41.305 41.238 0.067 1
1 789 . 1 1 1 A 69 69 ASP N N 69 121.937 118.648 3.289 1
1 790 . 1 1 1 A 70 70 PRO HA H 70 4.437 4.433 0.004 1
1 797 . 1 1 1 A 70 70 PRO C C 70 177.484 176.714 0.770 1
1 798 . 1 1 1 A 70 70 PRO CA C 70 63.777 63.526 0.251 1
1 799 . 1 1 1 A 70 70 PRO CB C 70 32.027 32.026 0.001 1
1 802 . 1 1 1 A 71 71 SER H H 71 8.506 8.090 0.416 1
1 803 . 1 1 1 A 71 71 SER HA H 71 4.364 4.085 0.279 1
1 806 . 1 1 1 A 71 71 SER C C 71 175.439 173.905 1.534 1
1 807 . 1 1 1 A 71 71 SER CA C 71 59.261 59.499 -0.238 1
1 808 . 1 1 1 A 71 71 SER CB C 71 63.771 61.104 2.667 1
1 809 . 1 1 1 A 71 71 SER N N 71 115.901 112.364 3.537 1
1 810 . 1 1 1 A 72 72 GLY H H 72 8.258 8.072 0.186 1
1 811 . 1 1 1 A 72 72 GLY HA2 H 72 3.958 3.967 -0.009 1
1 812 . 1 1 1 A 72 72 GLY HA3 H 72 3.958 3.967 -0.009 1
1 813 . 1 1 1 A 72 72 GLY C C 72 174.314 172.258 2.056 1
1 814 . 1 1 1 A 72 72 GLY CA C 72 45.469 45.558 -0.089 1
1 815 . 1 1 1 A 72 72 GLY N N 72 110.595 107.995 2.600 1
1 816 . 1 1 1 A 73 73 LYS H H 73 8.052 8.490 -0.438 1
1 817 . 1 1 1 A 73 73 LYS HA H 73 4.305 4.868 -0.563 1
1 826 . 1 1 1 A 73 73 LYS C C 73 176.792 176.590 0.202 1
1 827 . 1 1 1 A 73 73 LYS CA C 73 56.420 54.756 1.664 1
1 828 . 1 1 1 A 73 73 LYS CB C 73 33.082 35.286 -2.204 1
1 832 . 1 1 1 A 73 73 LYS N N 73 120.614 125.907 -5.293 1
1 833 . 1 1 1 A 74 74 GLU H H 74 8.559 8.907 -0.348 1
1 834 . 1 1 1 A 74 74 GLU HA H 74 4.305 3.985 0.320 1
1 839 . 1 1 1 A 74 74 GLU C C 74 176.648 175.880 0.768 1
1 840 . 1 1 1 A 74 74 GLU CA C 74 56.446 59.361 -2.915 1
1 841 . 1 1 1 A 74 74 GLU CB C 74 30.215 29.798 0.417 1
1 843 . 1 1 1 A 74 74 GLU N N 74 122.000 127.509 -5.509 1
1 844 . 1 1 1 A 75 75 SER H H 75 8.364 8.032 0.332 1
1 845 . 1 1 1 A 75 75 SER HA H 75 4.450 4.876 -0.426 1
1 846 . 1 1 1 A 75 75 SER C C 75 174.540 174.045 0.495 1
1 847 . 1 1 1 A 75 75 SER CA C 75 58.538 57.034 1.504 1
1 848 . 1 1 1 A 75 75 SER CB C 75 63.977 66.612 -2.635 1
1 849 . 1 1 1 A 75 75 SER N N 75 116.992 110.820 6.172 1
1 850 . 1 1 1 A 76 76 GLY H H 76 8.243 8.609 -0.366 1
1 851 . 1 1 1 A 76 76 GLY HA2 H 76 4.157 4.143 0.014 1
1 852 . 1 1 1 A 76 76 GLY HA3 H 76 4.058 4.143 -0.085 1
1 853 . 1 1 1 A 76 76 GLY CA C 76 44.680 44.043 0.637 1
1 854 . 1 1 1 A 76 76 GLY N N 76 110.704 107.220 3.484 1
1 855 . 1 1 1 A 77 77 PRO HA H 77 4.463 4.667 -0.204 1
1 862 . 1 1 1 A 77 77 PRO C C 77 177.454 176.945 0.509 1
1 863 . 1 1 1 A 77 77 PRO CA C 77 63.202 62.284 0.918 1
1 864 . 1 1 1 A 77 77 PRO CB C 77 32.276 29.447 2.829 1
1 867 . 1 1 1 A 78 78 SER H H 78 8.535 8.311 0.224 1
1 870 . 1 1 1 A 78 78 SER C C 78 174.735 174.299 0.436 1
1 871 . 1 1 1 A 78 78 SER CA C 78 58.373 57.997 0.376 1
1 872 . 1 1 1 A 78 78 SER CB C 78 63.977 64.370 -0.393 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.494 4.874 -0.380 1
1 2 . 2 1 1 A 6 6 SER CA C 6 58.785 57.629 1.156 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.483 63.156 0.327 1
1 4 . 2 1 1 A 7 7 GLY H H 7 8.367 8.456 -0.089 1
1 5 . 2 1 1 A 7 7 GLY HA2 H 7 3.955 4.097 -0.142 1
1 6 . 2 1 1 A 7 7 GLY HA3 H 7 3.955 4.100 -0.145 1
1 7 . 2 1 1 A 7 7 GLY C C 7 173.640 174.245 -0.605 1
1 8 . 2 1 1 A 7 7 GLY CA C 7 45.215 45.764 -0.549 1
1 9 . 2 1 1 A 7 7 GLY N N 7 110.787 113.344 -2.557 1
1 10 . 2 1 1 A 8 8 ALA H H 8 8.126 7.551 0.575 1
1 11 . 2 1 1 A 8 8 ALA HA H 8 4.458 4.369 0.089 1
1 15 . 2 1 1 A 8 8 ALA C C 8 177.711 176.241 1.470 1
1 16 . 2 1 1 A 8 8 ALA CA C 8 52.493 52.329 0.164 1
1 17 . 2 1 1 A 8 8 ALA CB C 8 19.761 19.911 -0.150 1
1 18 . 2 1 1 A 8 8 ALA N N 8 123.680 123.705 -0.025 1
1 19 . 2 1 1 A 9 9 THR H H 9 8.254 8.703 -0.449 1
1 20 . 2 1 1 A 9 9 THR HA H 9 4.527 4.979 -0.452 1
1 25 . 2 1 1 A 9 9 THR C C 9 174.050 173.249 0.801 1
1 26 . 2 1 1 A 9 9 THR CA C 9 61.874 61.649 0.225 1
1 27 . 2 1 1 A 9 9 THR CB C 9 70.580 71.442 -0.862 1
1 29 . 2 1 1 A 9 9 THR N N 9 113.196 114.070 -0.874 1
1 30 . 2 1 1 A 10 10 SER H H 10 8.264 8.907 -0.643 1
1 31 . 2 1 1 A 10 10 SER HA H 10 5.228 5.246 -0.018 1
1 34 . 2 1 1 A 10 10 SER C C 10 173.318 173.268 0.050 1
1 35 . 2 1 1 A 10 10 SER CA C 10 58.404 58.975 -0.571 1
1 36 . 2 1 1 A 10 10 SER CB C 10 64.098 63.822 0.276 1
1 37 . 2 1 1 A 10 10 SER N N 10 120.509 123.499 -2.990 1
1 38 . 2 1 1 A 11 11 TYR H H 11 8.957 9.404 -0.447 1
1 39 . 2 1 1 A 11 11 TYR HA H 11 4.793 5.188 -0.395 1
1 46 . 2 1 1 A 11 11 TYR C C 11 174.111 174.231 -0.120 1
1 47 . 2 1 1 A 11 11 TYR CA C 11 57.097 56.359 0.738 1
1 48 . 2 1 1 A 11 11 TYR CB C 11 43.764 42.686 1.078 1
1 53 . 2 1 1 A 11 11 TYR N N 11 124.069 124.610 -0.541 1
1 54 . 2 1 1 A 12 12 MET H H 12 8.985 8.779 0.206 1
1 55 . 2 1 1 A 12 12 MET HA H 12 5.463 5.144 0.319 1
1 63 . 2 1 1 A 12 12 MET C C 12 177.045 175.428 1.617 1
1 64 . 2 1 1 A 12 12 MET CA C 12 52.215 53.920 -1.705 1
1 65 . 2 1 1 A 12 12 MET CB C 12 33.195 35.791 -2.596 1
1 68 . 2 1 1 A 12 12 MET N N 12 118.428 121.420 -2.992 1
1 69 . 2 1 1 A 13 13 THR H H 13 9.132 8.445 0.687 1
1 70 . 2 1 1 A 13 13 THR HA H 13 4.872 4.540 0.332 1
1 75 . 2 1 1 A 13 13 THR C C 13 177.032 175.139 1.893 1
1 76 . 2 1 1 A 13 13 THR CA C 13 60.003 62.148 -2.145 1
1 77 . 2 1 1 A 13 13 THR CB C 13 69.597 69.618 -0.021 1
1 79 . 2 1 1 A 13 13 THR N N 13 113.981 116.409 -2.428 1
1 80 . 2 1 1 A 14 14 CYS H H 14 9.504 8.751 0.753 1
1 81 . 2 1 1 A 14 14 CYS HA H 14 4.806 4.541 0.265 1
1 84 . 2 1 1 A 14 14 CYS C C 14 173.712 174.747 -1.035 1
1 85 . 2 1 1 A 14 14 CYS CA C 14 57.209 60.011 -2.802 1
1 86 . 2 1 1 A 14 14 CYS CB C 14 28.772 28.684 0.088 1
1 87 . 2 1 1 A 14 14 CYS N N 14 122.485 121.432 1.053 1
1 88 . 2 1 1 A 15 15 SER H H 15 7.796 7.791 0.005 1
1 89 . 2 1 1 A 15 15 SER HA H 15 4.578 4.632 -0.054 1
1 92 . 2 1 1 A 15 15 SER C C 15 171.037 172.679 -1.642 1
1 93 . 2 1 1 A 15 15 SER CA C 15 56.858 57.305 -0.447 1
1 94 . 2 1 1 A 15 15 SER CB C 15 66.124 64.723 1.401 1
1 95 . 2 1 1 A 15 15 SER N N 15 116.311 115.029 1.282 1
1 96 . 2 1 1 A 16 16 ALA H H 16 8.398 8.464 -0.066 1
1 97 . 2 1 1 A 16 16 ALA HA H 16 4.582 4.932 -0.350 1
1 101 . 2 1 1 A 16 16 ALA C C 16 176.897 176.034 0.863 1
1 102 . 2 1 1 A 16 16 ALA CA C 16 52.085 51.404 0.681 1
1 103 . 2 1 1 A 16 16 ALA CB C 16 19.720 19.784 -0.064 1
1 104 . 2 1 1 A 16 16 ALA N N 16 124.071 126.264 -2.193 1
1 105 . 2 1 1 A 17 17 TYR H H 17 8.401 8.075 0.326 1
1 106 . 2 1 1 A 17 17 TYR HA H 17 4.384 4.955 -0.571 1
1 113 . 2 1 1 A 17 17 TYR C C 17 173.836 173.562 0.274 1
1 114 . 2 1 1 A 17 17 TYR CA C 17 57.801 56.474 1.327 1
1 115 . 2 1 1 A 17 17 TYR CB C 17 42.166 41.023 1.143 1
1 120 . 2 1 1 A 17 17 TYR N N 17 121.997 125.767 -3.770 1
1 121 . 2 1 1 A 18 18 GLN H H 18 6.844 8.139 -1.295 1
1 122 . 2 1 1 A 18 18 GLN HA H 18 4.318 4.406 -0.088 1
1 129 . 2 1 1 A 18 18 GLN C C 18 172.990 175.142 -2.152 1
1 130 . 2 1 1 A 18 18 GLN CA C 18 52.767 54.419 -1.652 1
1 131 . 2 1 1 A 18 18 GLN CB C 18 29.940 29.870 0.070 1
1 133 . 2 1 1 A 18 18 GLN N N 18 127.603 127.639 -0.036 1
1 135 . 2 1 1 A 19 19 LYS H H 19 8.155 8.263 -0.108 1
1 136 . 2 1 1 A 19 19 LYS HA H 19 4.130 4.826 -0.696 1
1 145 . 2 1 1 A 19 19 LYS C C 19 175.995 176.402 -0.407 1
1 146 . 2 1 1 A 19 19 LYS CA C 19 56.489 55.293 1.196 1
1 147 . 2 1 1 A 19 19 LYS CB C 19 33.369 33.794 -0.425 1
1 151 . 2 1 1 A 19 19 LYS N N 19 123.114 122.016 1.098 1
1 152 . 2 1 1 A 20 20 VAL H H 20 8.679 8.563 0.116 1
1 153 . 2 1 1 A 20 20 VAL HA H 20 4.153 3.994 0.159 1
1 161 . 2 1 1 A 20 20 VAL C C 20 176.493 175.517 0.976 1
1 162 . 2 1 1 A 20 20 VAL CA C 20 62.520 64.263 -1.743 1
1 163 . 2 1 1 A 20 20 VAL CB C 20 32.847 32.526 0.321 1
1 166 . 2 1 1 A 20 20 VAL N N 20 120.106 122.007 -1.901 1
1 167 . 2 1 1 A 21 21 GLN H H 21 7.133 7.805 -0.672 1
1 168 . 2 1 1 A 21 21 GLN HA H 21 4.582 4.688 -0.106 1
1 175 . 2 1 1 A 21 21 GLN C C 21 177.019 176.460 0.559 1
1 176 . 2 1 1 A 21 21 GLN CA C 21 54.291 54.423 -0.132 1
1 177 . 2 1 1 A 21 21 GLN CB C 21 31.023 31.063 -0.040 1
1 179 . 2 1 1 A 21 21 GLN N N 21 116.079 119.357 -3.278 1
1 181 . 2 1 1 A 22 22 ASP H H 22 8.858 8.961 -0.103 1
1 182 . 2 1 1 A 22 22 ASP HA H 22 4.318 4.301 0.017 1
1 185 . 2 1 1 A 22 22 ASP C C 22 176.746 178.352 -1.606 1
1 186 . 2 1 1 A 22 22 ASP CA C 22 57.752 57.264 0.488 1
1 187 . 2 1 1 A 22 22 ASP CB C 22 40.859 40.216 0.643 1
1 188 . 2 1 1 A 22 22 ASP N N 22 120.173 123.093 -2.920 1
1 189 . 2 1 1 A 23 23 SER H H 23 7.860 8.118 -0.258 1
1 190 . 2 1 1 A 23 23 SER HA H 23 4.648 4.358 0.290 1
1 193 . 2 1 1 A 23 23 SER C C 23 175.526 175.188 0.338 1
1 194 . 2 1 1 A 23 23 SER CA C 23 58.597 61.551 -2.954 1
1 195 . 2 1 1 A 23 23 SER CB C 23 62.993 63.396 -0.403 1
1 196 . 2 1 1 A 23 23 SER N N 23 110.013 115.205 -5.192 1
1 197 . 2 1 1 A 24 24 GLU H H 24 7.579 8.460 -0.881 1
1 198 . 2 1 1 A 24 24 GLU HA H 24 5.574 4.787 0.787 1
1 203 . 2 1 1 A 24 24 GLU C C 24 174.394 175.345 -0.951 1
1 204 . 2 1 1 A 24 24 GLU CA C 24 55.633 56.168 -0.535 1
1 205 . 2 1 1 A 24 24 GLU CB C 24 32.848 31.009 1.839 1
1 207 . 2 1 1 A 24 24 GLU N N 24 122.542 119.032 3.510 1
1 208 . 2 1 1 A 25 25 ILE H H 25 7.894 8.857 -0.963 1
1 209 . 2 1 1 A 25 25 ILE HA H 25 4.661 4.962 -0.301 1
1 219 . 2 1 1 A 25 25 ILE C C 25 171.519 174.082 -2.563 1
1 220 . 2 1 1 A 25 25 ILE CA C 25 58.838 59.483 -0.645 1
1 221 . 2 1 1 A 25 25 ILE CB C 25 42.673 42.291 0.382 1
1 225 . 2 1 1 A 25 25 ILE N N 25 117.944 123.016 -5.072 1
1 226 . 2 1 1 A 26 26 SER H H 26 7.535 9.172 -1.637 1
1 227 . 2 1 1 A 26 26 SER HA H 26 4.885 5.452 -0.567 1
1 230 . 2 1 1 A 26 26 SER C C 26 174.052 174.091 -0.039 1
1 231 . 2 1 1 A 26 26 SER CA C 26 56.515 57.258 -0.743 1
1 232 . 2 1 1 A 26 26 SER CB C 26 65.131 64.841 0.290 1
1 233 . 2 1 1 A 26 26 SER N N 26 116.426 124.075 -7.649 1
1 234 . 2 1 1 A 27 27 PHE H H 27 8.271 8.302 -0.031 1
1 235 . 2 1 1 A 27 27 PHE HA H 27 4.934 5.342 -0.408 1
1 243 . 2 1 1 A 27 27 PHE C C 27 173.278 173.164 0.114 1
1 244 . 2 1 1 A 27 27 PHE CA C 27 53.758 54.669 -0.911 1
1 245 . 2 1 1 A 27 27 PHE CB C 27 37.379 41.828 -4.449 1
1 251 . 2 1 1 A 27 27 PHE N N 27 116.221 119.076 -2.855 1
1 252 . 2 1 1 A 28 28 PRO HA H 28 4.872 4.658 0.214 1
1 259 . 2 1 1 A 28 28 PRO C C 28 176.165 175.575 0.590 1
1 260 . 2 1 1 A 28 28 PRO CA C 28 61.019 62.496 -1.477 1
1 261 . 2 1 1 A 28 28 PRO CB C 28 32.410 32.885 -0.475 1
1 264 . 2 1 1 A 29 29 ALA H H 29 8.513 8.345 0.168 1
1 265 . 2 1 1 A 29 29 ALA HA H 29 3.822 4.642 -0.820 1
1 269 . 2 1 1 A 29 29 ALA C C 29 178.074 177.973 0.101 1
1 270 . 2 1 1 A 29 29 ALA CA C 29 52.670 52.389 0.281 1
1 271 . 2 1 1 A 29 29 ALA CB C 29 19.721 19.584 0.137 1
1 272 . 2 1 1 A 29 29 ALA N N 29 120.286 123.842 -3.556 1
1 273 . 2 1 1 A 30 30 GLY H H 30 8.022 8.622 -0.600 1
1 274 . 2 1 1 A 30 30 GLY HA2 H 30 3.956 4.082 -0.126 1
1 275 . 2 1 1 A 30 30 GLY HA3 H 30 3.733 4.085 -0.352 1
1 276 . 2 1 1 A 30 30 GLY C C 30 174.944 173.723 1.221 1
1 277 . 2 1 1 A 30 30 GLY CA C 30 46.739 45.193 1.546 1
1 278 . 2 1 1 A 30 30 GLY N N 30 110.746 111.256 -0.510 1
1 279 . 2 1 1 A 31 31 VAL H H 31 7.736 7.318 0.418 1
1 280 . 2 1 1 A 31 31 VAL HA H 31 4.753 4.827 -0.074 1
1 288 . 2 1 1 A 31 31 VAL C C 31 173.642 174.332 -0.690 1
1 289 . 2 1 1 A 31 31 VAL CA C 31 58.809 59.235 -0.426 1
1 290 . 2 1 1 A 31 31 VAL CB C 31 34.719 35.618 -0.899 1
1 293 . 2 1 1 A 31 31 VAL N N 31 112.109 115.439 -3.330 1
1 294 . 2 1 1 A 32 32 GLU H H 32 8.264 8.786 -0.522 1
1 295 . 2 1 1 A 32 32 GLU HA H 32 5.090 4.712 0.378 1
1 300 . 2 1 1 A 32 32 GLU C C 32 176.725 176.049 0.676 1
1 301 . 2 1 1 A 32 32 GLU CA C 32 55.713 56.034 -0.321 1
1 302 . 2 1 1 A 32 32 GLU CB C 32 31.615 30.972 0.643 1
1 304 . 2 1 1 A 32 32 GLU N N 32 121.304 123.493 -2.189 1
1 305 . 2 1 1 A 33 33 VAL H H 33 9.136 8.755 0.381 1
1 306 . 2 1 1 A 33 33 VAL HA H 33 5.001 4.775 0.226 1
1 314 . 2 1 1 A 33 33 VAL C C 33 174.395 173.867 0.528 1
1 315 . 2 1 1 A 33 33 VAL CA C 33 58.765 59.001 -0.236 1
1 316 . 2 1 1 A 33 33 VAL CB C 33 34.596 35.734 -1.138 1
1 319 . 2 1 1 A 33 33 VAL N N 33 117.728 119.362 -1.634 1
1 320 . 2 1 1 A 34 34 GLN H H 34 8.551 8.336 0.215 1
1 321 . 2 1 1 A 34 34 GLN HA H 34 5.052 4.978 0.074 1
1 328 . 2 1 1 A 34 34 GLN C C 34 175.752 174.768 0.984 1
1 329 . 2 1 1 A 34 34 GLN CA C 34 54.328 54.560 -0.232 1
1 330 . 2 1 1 A 34 34 GLN CB C 34 30.760 30.798 -0.038 1
1 332 . 2 1 1 A 34 34 GLN N N 34 119.032 121.270 -2.238 1
1 334 . 2 1 1 A 35 35 VAL H H 35 9.180 8.650 0.530 1
1 335 . 2 1 1 A 35 35 VAL HA H 35 4.144 4.210 -0.066 1
1 343 . 2 1 1 A 35 35 VAL C C 35 175.602 175.450 0.152 1
1 344 . 2 1 1 A 35 35 VAL CA C 35 63.035 62.486 0.549 1
1 345 . 2 1 1 A 35 35 VAL CB C 35 32.056 31.691 0.365 1
1 348 . 2 1 1 A 35 35 VAL N N 35 124.135 124.207 -0.072 1
1 349 . 2 1 1 A 36 36 LEU H H 36 9.175 8.791 0.384 1
1 350 . 2 1 1 A 36 36 LEU HA H 36 4.429 4.253 0.176 1
1 360 . 2 1 1 A 36 36 LEU C C 36 177.299 176.557 0.742 1
1 361 . 2 1 1 A 36 36 LEU CA C 36 55.785 56.989 -1.204 1
1 362 . 2 1 1 A 36 36 LEU CB C 36 42.924 42.549 0.375 1
1 366 . 2 1 1 A 36 36 LEU N N 36 129.320 129.395 -0.075 1
1 367 . 2 1 1 A 37 37 GLU H H 37 7.569 7.974 -0.405 1
1 368 . 2 1 1 A 37 37 GLU HA H 37 4.414 4.813 -0.399 1
1 373 . 2 1 1 A 37 37 GLU C C 37 174.132 174.444 -0.312 1
1 374 . 2 1 1 A 37 37 GLU CA C 37 56.244 54.786 1.458 1
1 375 . 2 1 1 A 37 37 GLU CB C 37 33.236 33.177 0.059 1
1 377 . 2 1 1 A 37 37 GLU N N 37 116.925 115.226 1.699 1
1 378 . 2 1 1 A 38 38 LYS H H 38 8.693 8.621 0.072 1
1 379 . 2 1 1 A 38 38 LYS HA H 38 4.181 5.332 -1.151 1
1 388 . 2 1 1 A 38 38 LYS C C 38 175.877 175.040 0.837 1
1 389 . 2 1 1 A 38 38 LYS CA C 38 55.579 55.005 0.574 1
1 390 . 2 1 1 A 38 38 LYS CB C 38 34.965 36.198 -1.233 1
1 394 . 2 1 1 A 38 38 LYS N N 38 124.828 121.902 2.926 1
1 395 . 2 1 1 A 39 39 GLN H H 39 7.682 8.841 -1.159 1
1 396 . 2 1 1 A 39 39 GLN HA H 39 4.896 4.873 0.023 1
1 403 . 2 1 1 A 39 39 GLN C C 39 177.964 176.574 1.390 1
1 404 . 2 1 1 A 39 39 GLN CA C 39 55.324 54.670 0.654 1
1 405 . 2 1 1 A 39 39 GLN CB C 39 31.670 31.084 0.586 1
1 407 . 2 1 1 A 39 39 GLN N N 39 119.391 122.522 -3.131 1
1 409 . 2 1 1 A 40 40 GLU HA H 40 4.308 4.022 0.286 1
1 414 . 2 1 1 A 40 40 GLU C C 40 176.777 178.288 -1.511 1
1 415 . 2 1 1 A 40 40 GLU CA C 40 58.541 60.299 -1.758 1
1 416 . 2 1 1 A 40 40 GLU CB C 40 29.363 29.662 -0.299 1
1 418 . 2 1 1 A 41 41 SER H H 41 7.986 7.976 0.010 1
1 419 . 2 1 1 A 41 41 SER HA H 41 4.413 4.291 0.122 1
1 422 . 2 1 1 A 41 41 SER C C 41 175.434 175.288 0.146 1
1 423 . 2 1 1 A 41 41 SER CA C 41 58.707 60.077 -1.370 1
1 424 . 2 1 1 A 41 41 SER CB C 41 63.871 63.538 0.333 1
1 425 . 2 1 1 A 41 41 SER N N 41 113.216 115.136 -1.920 1
1 426 . 2 1 1 A 42 42 GLY H H 42 8.135 8.114 0.021 1
1 427 . 2 1 1 A 42 42 GLY HA2 H 42 4.347 3.949 0.398 1
1 428 . 2 1 1 A 42 42 GLY HA3 H 42 3.625 4.089 -0.464 1
1 429 . 2 1 1 A 42 42 GLY C C 42 173.338 174.729 -1.391 1
1 430 . 2 1 1 A 42 42 GLY CA C 42 44.998 45.454 -0.456 1
1 431 . 2 1 1 A 42 42 GLY N N 42 108.513 109.283 -0.770 1
1 432 . 2 1 1 A 43 43 TRP H H 43 7.820 7.529 0.291 1
1 433 . 2 1 1 A 43 43 TRP HA H 43 4.942 4.548 0.394 1
1 442 . 2 1 1 A 43 43 TRP C C 43 174.648 176.663 -2.015 1
1 443 . 2 1 1 A 43 43 TRP CA C 43 57.245 58.316 -1.071 1
1 444 . 2 1 1 A 43 43 TRP CB C 43 30.102 29.698 0.404 1
1 450 . 2 1 1 A 43 43 TRP N N 43 122.320 120.507 1.813 1
1 452 . 2 1 1 A 44 44 TRP H H 44 9.769 9.005 0.764 1
1 453 . 2 1 1 A 44 44 TRP HA H 44 5.875 5.532 0.343 1
1 462 . 2 1 1 A 44 44 TRP C C 44 173.703 175.425 -1.722 1
1 463 . 2 1 1 A 44 44 TRP CA C 44 53.298 54.957 -1.659 1
1 464 . 2 1 1 A 44 44 TRP CB C 44 32.961 32.041 0.920 1
1 470 . 2 1 1 A 44 44 TRP N N 44 125.138 123.700 1.438 1
1 472 . 2 1 1 A 45 45 TYR H H 45 9.168 8.733 0.435 1
1 473 . 2 1 1 A 45 45 TYR HA H 45 4.173 4.145 0.028 1
1 480 . 2 1 1 A 45 45 TYR C C 45 175.086 174.959 0.127 1
1 481 . 2 1 1 A 45 45 TYR CA C 45 58.044 56.840 1.204 1
1 482 . 2 1 1 A 45 45 TYR CB C 45 38.792 37.755 1.037 1
1 487 . 2 1 1 A 45 45 TYR N N 45 127.429 126.067 1.362 1
1 488 . 2 1 1 A 46 46 VAL H H 46 8.689 8.576 0.113 1
1 489 . 2 1 1 A 46 46 VAL HA H 46 5.142 5.213 -0.071 1
1 497 . 2 1 1 A 46 46 VAL C C 46 172.384 173.736 -1.352 1
1 498 . 2 1 1 A 46 46 VAL CA C 46 59.010 59.523 -0.513 1
1 499 . 2 1 1 A 46 46 VAL CB C 46 35.502 33.946 1.556 1
1 502 . 2 1 1 A 46 46 VAL N N 46 124.245 122.215 2.030 1
1 503 . 2 1 1 A 47 47 ARG H H 47 9.049 8.376 0.673 1
1 504 . 2 1 1 A 47 47 ARG HA H 47 5.163 5.075 0.088 1
1 512 . 2 1 1 A 47 47 ARG C C 47 175.057 174.004 1.053 1
1 513 . 2 1 1 A 47 47 ARG CA C 47 54.158 54.395 -0.237 1
1 514 . 2 1 1 A 47 47 ARG CB C 47 34.146 33.667 0.479 1
1 517 . 2 1 1 A 47 47 ARG N N 47 120.700 121.366 -0.666 1
1 519 . 2 1 1 A 48 48 PHE H H 48 9.042 9.018 0.024 1
1 520 . 2 1 1 A 48 48 PHE HA H 48 5.296 4.751 0.545 1
1 528 . 2 1 1 A 48 48 PHE C C 48 175.133 175.601 -0.468 1
1 529 . 2 1 1 A 48 48 PHE CA C 48 54.446 57.005 -2.559 1
1 530 . 2 1 1 A 48 48 PHE CB C 48 40.369 41.018 -0.649 1
1 536 . 2 1 1 A 48 48 PHE N N 48 128.029 127.756 0.273 1
1 537 . 2 1 1 A 49 49 GLY H H 49 9.103 8.839 0.264 1
1 538 . 2 1 1 A 49 49 GLY HA2 H 49 3.644 3.548 0.096 1
1 539 . 2 1 1 A 49 49 GLY HA3 H 49 3.503 3.682 -0.179 1
1 540 . 2 1 1 A 49 49 GLY C C 49 174.287 174.575 -0.288 1
1 541 . 2 1 1 A 49 49 GLY CA C 49 47.008 47.061 -0.053 1
1 542 . 2 1 1 A 49 49 GLY N N 49 118.890 115.892 2.998 1
1 543 . 2 1 1 A 50 50 GLU H H 50 8.920 8.532 0.388 1
1 544 . 2 1 1 A 50 50 GLU HA H 50 4.333 4.386 -0.053 1
1 549 . 2 1 1 A 50 50 GLU C C 50 176.000 174.629 1.371 1
1 550 . 2 1 1 A 50 50 GLU CA C 50 56.080 55.694 0.386 1
1 551 . 2 1 1 A 50 50 GLU CB C 50 30.022 30.327 -0.305 1
1 553 . 2 1 1 A 50 50 GLU N N 50 125.280 125.745 -0.465 1
1 554 . 2 1 1 A 51 51 LEU H H 51 7.792 7.458 0.334 1
1 555 . 2 1 1 A 51 51 LEU HA H 51 4.635 4.880 -0.245 1
1 565 . 2 1 1 A 51 51 LEU C C 51 175.050 174.999 0.051 1
1 566 . 2 1 1 A 51 51 LEU CA C 51 54.074 53.718 0.356 1
1 567 . 2 1 1 A 51 51 LEU CB C 51 44.171 47.020 -2.849 1
1 571 . 2 1 1 A 51 51 LEU N N 51 121.706 121.058 0.648 1
1 572 . 2 1 1 A 52 52 GLU H H 52 8.165 8.664 -0.499 1
1 573 . 2 1 1 A 52 52 GLU HA H 52 5.476 5.140 0.336 1
1 578 . 2 1 1 A 52 52 GLU C C 52 176.062 175.201 0.861 1
1 579 . 2 1 1 A 52 52 GLU CA C 52 53.810 54.668 -0.858 1
1 580 . 2 1 1 A 52 52 GLU CB C 52 33.486 32.487 0.999 1
1 582 . 2 1 1 A 52 52 GLU N N 52 116.700 119.800 -3.100 1
1 583 . 2 1 1 A 53 53 GLY H H 53 8.091 8.441 -0.350 1
1 584 . 2 1 1 A 53 53 GLY HA2 H 53 3.882 4.441 -0.559 1
1 585 . 2 1 1 A 53 53 GLY HA3 H 53 3.730 4.450 -0.720 1
1 586 . 2 1 1 A 53 53 GLY C C 53 170.279 171.837 -1.558 1
1 587 . 2 1 1 A 53 53 GLY CA C 53 45.344 44.119 1.225 1
1 588 . 2 1 1 A 53 53 GLY N N 53 106.613 111.163 -4.550 1
1 589 . 2 1 1 A 54 54 TRP H H 54 8.595 8.987 -0.392 1
1 590 . 2 1 1 A 54 54 TRP HA H 54 5.348 5.249 0.099 1
1 599 . 2 1 1 A 54 54 TRP C C 54 175.873 176.339 -0.466 1
1 600 . 2 1 1 A 54 54 TRP CA C 54 57.602 57.484 0.118 1
1 601 . 2 1 1 A 54 54 TRP CB C 54 31.176 29.395 1.781 1
1 607 . 2 1 1 A 54 54 TRP N N 54 120.550 121.958 -1.408 1
1 609 . 2 1 1 A 55 55 ALA H H 55 9.993 9.122 0.871 1
1 610 . 2 1 1 A 55 55 ALA HA H 55 4.978 4.589 0.389 1
1 614 . 2 1 1 A 55 55 ALA C C 55 173.642 174.997 -1.355 1
1 615 . 2 1 1 A 55 55 ALA CA C 55 49.335 49.519 -0.184 1
1 616 . 2 1 1 A 55 55 ALA CB C 55 22.101 20.656 1.445 1
1 617 . 2 1 1 A 55 55 ALA N N 55 122.386 128.293 -5.907 1
1 618 . 2 1 1 A 56 56 PRO HA H 56 3.586 3.925 -0.339 1
1 625 . 2 1 1 A 56 56 PRO C C 56 178.765 176.880 1.885 1
1 626 . 2 1 1 A 56 56 PRO CA C 56 61.218 62.306 -1.088 1
1 627 . 2 1 1 A 56 56 PRO CB C 56 30.430 32.327 -1.897 1
1 630 . 2 1 1 A 57 57 SER H H 57 8.187 7.948 0.239 1
1 631 . 2 1 1 A 57 57 SER HA H 57 2.721 3.151 -0.430 1
1 634 . 2 1 1 A 57 57 SER C C 57 175.094 175.984 -0.890 1
1 635 . 2 1 1 A 57 57 SER CA C 57 60.865 60.001 0.864 1
1 636 . 2 1 1 A 57 57 SER CB C 57 60.645 61.764 -1.119 1
1 637 . 2 1 1 A 57 57 SER N N 57 120.088 118.652 1.436 1
1 638 . 2 1 1 A 58 58 HIS H H 58 7.482 7.190 0.292 1
1 639 . 2 1 1 A 58 58 HIS HA H 58 4.433 4.109 0.324 1
1 644 . 2 1 1 A 58 58 HIS C C 58 175.763 177.746 -1.983 1
1 645 . 2 1 1 A 58 58 HIS CA C 58 56.938 59.372 -2.434 1
1 646 . 2 1 1 A 58 58 HIS CB C 58 28.597 29.686 -1.089 1
1 649 . 2 1 1 A 58 58 HIS N N 58 115.490 119.065 -3.575 1
1 650 . 2 1 1 A 59 59 TYR H H 59 7.251 8.027 -0.776 1
1 651 . 2 1 1 A 59 59 TYR HA H 59 4.366 4.429 -0.063 1
1 658 . 2 1 1 A 59 59 TYR C C 59 173.874 175.345 -1.471 1
1 659 . 2 1 1 A 59 59 TYR CA C 59 58.862 60.463 -1.601 1
1 660 . 2 1 1 A 59 59 TYR CB C 59 36.586 38.599 -2.013 1
1 665 . 2 1 1 A 59 59 TYR N N 59 120.460 116.874 3.586 1
1 666 . 2 1 1 A 60 60 LEU H H 60 7.574 7.536 0.038 1
1 667 . 2 1 1 A 60 60 LEU HA H 60 4.964 4.805 0.159 1
1 677 . 2 1 1 A 60 60 LEU C C 60 175.663 176.297 -0.634 1
1 678 . 2 1 1 A 60 60 LEU CA C 60 53.709 53.514 0.195 1
1 679 . 2 1 1 A 60 60 LEU CB C 60 42.879 44.051 -1.172 1
1 683 . 2 1 1 A 60 60 LEU N N 60 121.690 120.553 1.137 1
1 684 . 2 1 1 A 61 61 VAL H H 61 9.082 8.636 0.446 1
1 685 . 2 1 1 A 61 61 VAL HA H 61 4.309 4.977 -0.668 1
1 693 . 2 1 1 A 61 61 VAL C C 61 174.803 175.316 -0.513 1
1 694 . 2 1 1 A 61 61 VAL CA C 61 61.381 60.475 0.906 1
1 695 . 2 1 1 A 61 61 VAL CB C 61 33.607 33.630 -0.023 1
1 698 . 2 1 1 A 61 61 VAL N N 61 119.010 120.355 -1.345 1
1 699 . 2 1 1 A 62 62 LEU H H 62 8.307 8.415 -0.108 1
1 700 . 2 1 1 A 62 62 LEU HA H 62 4.288 4.796 -0.508 1
1 710 . 2 1 1 A 62 62 LEU C C 62 176.976 175.845 1.131 1
1 711 . 2 1 1 A 62 62 LEU CA C 62 54.807 53.363 1.444 1
1 712 . 2 1 1 A 62 62 LEU CB C 62 42.932 44.567 -1.635 1
1 716 . 2 1 1 A 62 62 LEU N N 62 127.895 122.883 5.012 1
1 717 . 2 1 1 A 63 63 ASP H H 63 8.475 9.076 -0.601 1
1 718 . 2 1 1 A 63 63 ASP HA H 63 4.595 4.327 0.268 1
1 721 . 2 1 1 A 63 63 ASP C C 63 176.269 176.025 0.244 1
1 722 . 2 1 1 A 63 63 ASP CA C 63 53.903 55.041 -1.138 1
1 723 . 2 1 1 A 63 63 ASP CB C 63 41.618 39.815 1.803 1
1 724 . 2 1 1 A 63 63 ASP N N 63 122.904 120.317 2.587 1
1 725 . 2 1 1 A 64 64 GLU H H 64 8.528 8.089 0.439 1
1 726 . 2 1 1 A 64 64 GLU HA H 64 4.220 4.700 -0.480 1
1 731 . 2 1 1 A 64 64 GLU C C 64 176.504 177.935 -1.431 1
1 732 . 2 1 1 A 64 64 GLU CA C 64 57.043 57.930 -0.887 1
1 733 . 2 1 1 A 64 64 GLU CB C 64 30.214 31.732 -1.518 1
1 735 . 2 1 1 A 64 64 GLU N N 64 122.471 118.308 4.163 1
1 736 . 2 1 1 A 65 65 ASN H H 65 8.523 8.019 0.504 1
1 737 . 2 1 1 A 65 65 ASN HA H 65 4.661 4.563 0.098 1
1 742 . 2 1 1 A 65 65 ASN C C 65 175.223 174.750 0.473 1
1 743 . 2 1 1 A 65 65 ASN CA C 65 53.674 56.253 -2.579 1
1 744 . 2 1 1 A 65 65 ASN CB C 65 39.088 39.002 0.086 1
1 745 . 2 1 1 A 65 65 ASN N N 65 118.895 118.408 0.487 1
1 747 . 2 1 1 A 66 66 GLU H H 66 8.222 7.848 0.374 1
1 748 . 2 1 1 A 66 66 GLU HA H 66 4.293 4.764 -0.471 1
1 753 . 2 1 1 A 66 66 GLU C C 66 176.054 175.728 0.326 1
1 754 . 2 1 1 A 66 66 GLU CA C 66 56.432 55.300 1.132 1
1 755 . 2 1 1 A 66 66 GLU CB C 66 30.476 33.142 -2.666 1
1 757 . 2 1 1 A 66 66 GLU N N 66 120.919 115.282 5.637 1
1 758 . 2 1 1 A 67 67 GLN H H 67 8.293 8.438 -0.145 1
1 759 . 2 1 1 A 67 67 GLN HA H 67 4.582 4.423 0.159 1
1 766 . 2 1 1 A 67 67 GLN C C 67 173.836 174.090 -0.254 1
1 767 . 2 1 1 A 67 67 GLN CA C 67 53.593 54.425 -0.832 1
1 768 . 2 1 1 A 67 67 GLN CB C 67 28.949 28.210 0.739 1
1 770 . 2 1 1 A 67 67 GLN N N 67 122.295 123.337 -1.042 1
1 772 . 2 1 1 A 68 68 PRO HA H 68 4.401 4.587 -0.186 1
1 779 . 2 1 1 A 68 68 PRO CA C 68 62.882 62.630 0.252 1
1 780 . 2 1 1 A 68 68 PRO CB C 68 32.175 32.604 -0.429 1
1 783 . 2 1 1 A 69 69 ASP H H 69 8.502 8.463 0.039 1
1 784 . 2 1 1 A 69 69 ASP HA H 69 4.836 5.172 -0.336 1
1 787 . 2 1 1 A 69 69 ASP CA C 69 51.945 51.679 0.266 1
1 788 . 2 1 1 A 69 69 ASP CB C 69 41.305 41.616 -0.311 1
1 789 . 2 1 1 A 69 69 ASP N N 69 121.937 121.153 0.784 1
1 790 . 2 1 1 A 70 70 PRO HA H 70 4.437 4.646 -0.209 1
1 797 . 2 1 1 A 70 70 PRO C C 70 177.484 177.213 0.271 1
1 798 . 2 1 1 A 70 70 PRO CA C 70 63.777 62.715 1.062 1
1 799 . 2 1 1 A 70 70 PRO CB C 70 32.027 32.863 -0.836 1
1 802 . 2 1 1 A 71 71 SER H H 71 8.506 8.922 -0.416 1
1 803 . 2 1 1 A 71 71 SER HA H 71 4.364 4.327 0.037 1
1 806 . 2 1 1 A 71 71 SER C C 71 175.439 175.447 -0.008 1
1 807 . 2 1 1 A 71 71 SER CA C 71 59.261 60.547 -1.286 1
1 808 . 2 1 1 A 71 71 SER CB C 71 63.771 63.594 0.177 1
1 809 . 2 1 1 A 71 71 SER N N 71 115.901 115.732 0.169 1
1 810 . 2 1 1 A 72 72 GLY H H 72 8.258 7.856 0.402 1
1 811 . 2 1 1 A 72 72 GLY HA2 H 72 3.958 4.058 -0.100 1
1 812 . 2 1 1 A 72 72 GLY HA3 H 72 3.958 4.059 -0.101 1
1 813 . 2 1 1 A 72 72 GLY C C 72 174.314 173.935 0.379 1
1 814 . 2 1 1 A 72 72 GLY CA C 72 45.469 45.117 0.352 1
1 815 . 2 1 1 A 72 72 GLY N N 72 110.595 106.740 3.855 1
1 816 . 2 1 1 A 73 73 LYS H H 73 8.052 8.604 -0.552 1
1 817 . 2 1 1 A 73 73 LYS HA H 73 4.305 4.474 -0.169 1
1 826 . 2 1 1 A 73 73 LYS C C 73 176.792 176.175 0.617 1
1 827 . 2 1 1 A 73 73 LYS CA C 73 56.420 55.287 1.133 1
1 828 . 2 1 1 A 73 73 LYS CB C 73 33.082 31.889 1.193 1
1 832 . 2 1 1 A 73 73 LYS N N 73 120.614 123.081 -2.467 1
1 833 . 2 1 1 A 74 74 GLU H H 74 8.559 8.883 -0.324 1
1 834 . 2 1 1 A 74 74 GLU HA H 74 4.305 4.457 -0.152 1
1 839 . 2 1 1 A 74 74 GLU C C 74 176.648 176.703 -0.055 1
1 840 . 2 1 1 A 74 74 GLU CA C 74 56.446 57.992 -1.546 1
1 841 . 2 1 1 A 74 74 GLU CB C 74 30.215 30.823 -0.608 1
1 843 . 2 1 1 A 74 74 GLU N N 74 122.000 125.540 -3.540 1
1 844 . 2 1 1 A 75 75 SER H H 75 8.364 7.883 0.481 1
1 845 . 2 1 1 A 75 75 SER HA H 75 4.450 4.897 -0.447 1
1 846 . 2 1 1 A 75 75 SER C C 75 174.540 174.656 -0.116 1
1 847 . 2 1 1 A 75 75 SER CA C 75 58.538 57.663 0.875 1
1 848 . 2 1 1 A 75 75 SER CB C 75 63.977 65.203 -1.226 1
1 849 . 2 1 1 A 75 75 SER N N 75 116.992 115.381 1.611 1
1 850 . 2 1 1 A 76 76 GLY H H 76 8.243 8.488 -0.245 1
1 851 . 2 1 1 A 76 76 GLY HA2 H 76 4.157 4.073 0.084 1
1 852 . 2 1 1 A 76 76 GLY HA3 H 76 4.058 4.074 -0.016 1
1 853 . 2 1 1 A 76 76 GLY CA C 76 44.680 44.282 0.398 1
1 854 . 2 1 1 A 76 76 GLY N N 76 110.704 111.460 -0.756 1
1 855 . 2 1 1 A 77 77 PRO HA H 77 4.463 4.401 0.062 1
1 862 . 2 1 1 A 77 77 PRO C C 77 177.454 176.609 0.845 1
1 863 . 2 1 1 A 77 77 PRO CA C 77 63.202 64.684 -1.482 1
1 864 . 2 1 1 A 77 77 PRO CB C 77 32.276 31.691 0.585 1
1 867 . 2 1 1 A 78 78 SER H H 78 8.535 7.803 0.732 1
1 870 . 2 1 1 A 78 78 SER C C 78 174.735 174.018 0.717 1
1 871 . 2 1 1 A 78 78 SER CA C 78 58.373 58.798 -0.425 1
1 872 . 2 1 1 A 78 78 SER CB C 78 63.977 63.592 0.385 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.494 4.155 0.339 1
1 2 . 3 1 1 A 6 6 SER CA C 6 58.785 59.062 -0.277 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.483 60.968 2.515 1
1 4 . 3 1 1 A 7 7 GLY H H 7 8.367 7.676 0.691 1
1 5 . 3 1 1 A 7 7 GLY HA2 H 7 3.955 4.172 -0.217 1
1 6 . 3 1 1 A 7 7 GLY HA3 H 7 3.955 4.174 -0.219 1
1 7 . 3 1 1 A 7 7 GLY C C 7 173.640 171.832 1.808 1
1 8 . 3 1 1 A 7 7 GLY CA C 7 45.215 46.179 -0.964 1
1 9 . 3 1 1 A 7 7 GLY N N 7 110.787 108.503 2.284 1
1 10 . 3 1 1 A 8 8 ALA H H 8 8.126 8.378 -0.252 1
1 11 . 3 1 1 A 8 8 ALA HA H 8 4.458 4.998 -0.540 1
1 15 . 3 1 1 A 8 8 ALA C C 8 177.711 175.066 2.645 1
1 16 . 3 1 1 A 8 8 ALA CA C 8 52.493 51.566 0.927 1
1 17 . 3 1 1 A 8 8 ALA CB C 8 19.761 22.796 -3.035 1
1 18 . 3 1 1 A 8 8 ALA N N 8 123.680 124.476 -0.796 1
1 19 . 3 1 1 A 9 9 THR H H 9 8.254 8.649 -0.395 1
1 20 . 3 1 1 A 9 9 THR HA H 9 4.527 4.952 -0.425 1
1 25 . 3 1 1 A 9 9 THR C C 9 174.050 174.057 -0.007 1
1 26 . 3 1 1 A 9 9 THR CA C 9 61.874 61.744 0.130 1
1 27 . 3 1 1 A 9 9 THR CB C 9 70.580 70.485 0.095 1
1 29 . 3 1 1 A 9 9 THR N N 9 113.196 114.211 -1.015 1
1 30 . 3 1 1 A 10 10 SER H H 10 8.264 8.945 -0.681 1
1 31 . 3 1 1 A 10 10 SER HA H 10 5.228 5.511 -0.283 1
1 34 . 3 1 1 A 10 10 SER C C 10 173.318 173.591 -0.273 1
1 35 . 3 1 1 A 10 10 SER CA C 10 58.404 57.125 1.279 1
1 36 . 3 1 1 A 10 10 SER CB C 10 64.098 64.932 -0.834 1
1 37 . 3 1 1 A 10 10 SER N N 10 120.509 120.745 -0.236 1
1 38 . 3 1 1 A 11 11 TYR H H 11 8.957 9.023 -0.066 1
1 39 . 3 1 1 A 11 11 TYR HA H 11 4.793 5.245 -0.452 1
1 46 . 3 1 1 A 11 11 TYR C C 11 174.111 174.237 -0.126 1
1 47 . 3 1 1 A 11 11 TYR CA C 11 57.097 56.439 0.658 1
1 48 . 3 1 1 A 11 11 TYR CB C 11 43.764 42.709 1.055 1
1 53 . 3 1 1 A 11 11 TYR N N 11 124.069 121.047 3.022 1
1 54 . 3 1 1 A 12 12 MET H H 12 8.985 8.829 0.156 1
1 55 . 3 1 1 A 12 12 MET HA H 12 5.463 5.232 0.231 1
1 63 . 3 1 1 A 12 12 MET C C 12 177.045 174.862 2.183 1
1 64 . 3 1 1 A 12 12 MET CA C 12 52.215 53.915 -1.700 1
1 65 . 3 1 1 A 12 12 MET CB C 12 33.195 35.740 -2.545 1
1 68 . 3 1 1 A 12 12 MET N N 12 118.428 120.949 -2.521 1
1 69 . 3 1 1 A 13 13 THR H H 13 9.132 8.466 0.666 1
1 70 . 3 1 1 A 13 13 THR HA H 13 4.872 4.997 -0.125 1
1 75 . 3 1 1 A 13 13 THR C C 13 177.032 174.861 2.171 1
1 76 . 3 1 1 A 13 13 THR CA C 13 60.003 60.634 -0.631 1
1 77 . 3 1 1 A 13 13 THR CB C 13 69.597 70.215 -0.618 1
1 79 . 3 1 1 A 13 13 THR N N 13 113.981 113.534 0.447 1
1 80 . 3 1 1 A 14 14 CYS H H 14 9.504 8.529 0.975 1
1 81 . 3 1 1 A 14 14 CYS HA H 14 4.806 4.608 0.198 1
1 84 . 3 1 1 A 14 14 CYS C C 14 173.712 174.801 -1.089 1
1 85 . 3 1 1 A 14 14 CYS CA C 14 57.209 59.760 -2.551 1
1 86 . 3 1 1 A 14 14 CYS CB C 14 28.772 28.727 0.045 1
1 87 . 3 1 1 A 14 14 CYS N N 14 122.485 121.398 1.087 1
1 88 . 3 1 1 A 15 15 SER H H 15 7.796 7.787 0.009 1
1 89 . 3 1 1 A 15 15 SER HA H 15 4.578 4.884 -0.306 1
1 92 . 3 1 1 A 15 15 SER C C 15 171.037 172.631 -1.594 1
1 93 . 3 1 1 A 15 15 SER CA C 15 56.858 56.852 0.006 1
1 94 . 3 1 1 A 15 15 SER CB C 15 66.124 65.433 0.691 1
1 95 . 3 1 1 A 15 15 SER N N 15 116.311 114.877 1.434 1
1 96 . 3 1 1 A 16 16 ALA H H 16 8.398 8.502 -0.104 1
1 97 . 3 1 1 A 16 16 ALA HA H 16 4.582 4.866 -0.284 1
1 101 . 3 1 1 A 16 16 ALA C C 16 176.897 175.892 1.005 1
1 102 . 3 1 1 A 16 16 ALA CA C 16 52.085 51.300 0.785 1
1 103 . 3 1 1 A 16 16 ALA CB C 16 19.720 19.806 -0.086 1
1 104 . 3 1 1 A 16 16 ALA N N 16 124.071 126.422 -2.351 1
1 105 . 3 1 1 A 17 17 TYR H H 17 8.401 8.047 0.354 1
1 106 . 3 1 1 A 17 17 TYR HA H 17 4.384 4.925 -0.541 1
1 113 . 3 1 1 A 17 17 TYR C C 17 173.836 174.544 -0.708 1
1 114 . 3 1 1 A 17 17 TYR CA C 17 57.801 56.774 1.027 1
1 115 . 3 1 1 A 17 17 TYR CB C 17 42.166 40.859 1.307 1
1 120 . 3 1 1 A 17 17 TYR N N 17 121.997 126.247 -4.250 1
1 121 . 3 1 1 A 18 18 GLN H H 18 6.844 8.073 -1.229 1
1 122 . 3 1 1 A 18 18 GLN HA H 18 4.318 4.511 -0.193 1
1 129 . 3 1 1 A 18 18 GLN C C 18 172.990 174.111 -1.121 1
1 130 . 3 1 1 A 18 18 GLN CA C 18 52.767 54.137 -1.370 1
1 131 . 3 1 1 A 18 18 GLN CB C 18 29.940 30.154 -0.214 1
1 133 . 3 1 1 A 18 18 GLN N N 18 127.603 124.063 3.540 1
1 135 . 3 1 1 A 19 19 LYS H H 19 8.155 8.310 -0.155 1
1 136 . 3 1 1 A 19 19 LYS HA H 19 4.130 4.482 -0.352 1
1 145 . 3 1 1 A 19 19 LYS C C 19 175.995 176.926 -0.931 1
1 146 . 3 1 1 A 19 19 LYS CA C 19 56.489 56.204 0.285 1
1 147 . 3 1 1 A 19 19 LYS CB C 19 33.369 32.578 0.791 1
1 151 . 3 1 1 A 19 19 LYS N N 19 123.114 119.581 3.533 1
1 152 . 3 1 1 A 20 20 VAL H H 20 8.679 8.811 -0.132 1
1 153 . 3 1 1 A 20 20 VAL HA H 20 4.153 3.770 0.383 1
1 161 . 3 1 1 A 20 20 VAL C C 20 176.493 176.375 0.118 1
1 162 . 3 1 1 A 20 20 VAL CA C 20 62.520 65.070 -2.550 1
1 163 . 3 1 1 A 20 20 VAL CB C 20 32.847 31.999 0.848 1
1 166 . 3 1 1 A 20 20 VAL N N 20 120.106 124.083 -3.977 1
1 167 . 3 1 1 A 21 21 GLN H H 21 7.133 8.048 -0.915 1
1 168 . 3 1 1 A 21 21 GLN HA H 21 4.582 4.725 -0.143 1
1 175 . 3 1 1 A 21 21 GLN C C 21 177.019 176.047 0.972 1
1 176 . 3 1 1 A 21 21 GLN CA C 21 54.291 54.159 0.132 1
1 177 . 3 1 1 A 21 21 GLN CB C 21 31.023 31.362 -0.339 1
1 179 . 3 1 1 A 21 21 GLN N N 21 116.079 118.915 -2.836 1
1 181 . 3 1 1 A 22 22 ASP H H 22 8.858 8.969 -0.111 1
1 182 . 3 1 1 A 22 22 ASP HA H 22 4.318 4.362 -0.044 1
1 185 . 3 1 1 A 22 22 ASP C C 22 176.746 178.472 -1.726 1
1 186 . 3 1 1 A 22 22 ASP CA C 22 57.752 57.515 0.237 1
1 187 . 3 1 1 A 22 22 ASP CB C 22 40.859 40.161 0.698 1
1 188 . 3 1 1 A 22 22 ASP N N 22 120.173 122.677 -2.504 1
1 189 . 3 1 1 A 23 23 SER H H 23 7.860 8.138 -0.278 1
1 190 . 3 1 1 A 23 23 SER HA H 23 4.648 4.275 0.373 1
1 193 . 3 1 1 A 23 23 SER C C 23 175.526 175.775 -0.249 1
1 194 . 3 1 1 A 23 23 SER CA C 23 58.597 61.837 -3.240 1
1 195 . 3 1 1 A 23 23 SER CB C 23 62.993 63.140 -0.147 1
1 196 . 3 1 1 A 23 23 SER N N 23 110.013 115.835 -5.822 1
1 197 . 3 1 1 A 24 24 GLU H H 24 7.579 8.222 -0.643 1
1 198 . 3 1 1 A 24 24 GLU HA H 24 5.574 4.707 0.867 1
1 203 . 3 1 1 A 24 24 GLU C C 24 174.394 175.452 -1.058 1
1 204 . 3 1 1 A 24 24 GLU CA C 24 55.633 57.310 -1.677 1
1 205 . 3 1 1 A 24 24 GLU CB C 24 32.848 30.823 2.025 1
1 207 . 3 1 1 A 24 24 GLU N N 24 122.542 118.968 3.574 1
1 208 . 3 1 1 A 25 25 ILE H H 25 7.894 8.904 -1.010 1
1 209 . 3 1 1 A 25 25 ILE HA H 25 4.661 4.919 -0.258 1
1 219 . 3 1 1 A 25 25 ILE C C 25 171.519 174.154 -2.635 1
1 220 . 3 1 1 A 25 25 ILE CA C 25 58.838 59.487 -0.649 1
1 221 . 3 1 1 A 25 25 ILE CB C 25 42.673 42.340 0.333 1
1 225 . 3 1 1 A 25 25 ILE N N 25 117.944 123.348 -5.404 1
1 226 . 3 1 1 A 26 26 SER H H 26 7.535 9.069 -1.534 1
1 227 . 3 1 1 A 26 26 SER HA H 26 4.885 5.325 -0.440 1
1 230 . 3 1 1 A 26 26 SER C C 26 174.052 174.052 0.000 1
1 231 . 3 1 1 A 26 26 SER CA C 26 56.515 57.267 -0.752 1
1 232 . 3 1 1 A 26 26 SER CB C 26 65.131 64.811 0.320 1
1 233 . 3 1 1 A 26 26 SER N N 26 116.426 124.031 -7.605 1
1 234 . 3 1 1 A 27 27 PHE H H 27 8.271 8.320 -0.049 1
1 235 . 3 1 1 A 27 27 PHE HA H 27 4.934 5.269 -0.335 1
1 243 . 3 1 1 A 27 27 PHE C C 27 173.278 173.124 0.154 1
1 244 . 3 1 1 A 27 27 PHE CA C 27 53.758 54.791 -1.033 1
1 245 . 3 1 1 A 27 27 PHE CB C 27 37.379 41.941 -4.562 1
1 251 . 3 1 1 A 27 27 PHE N N 27 116.221 118.783 -2.562 1
1 252 . 3 1 1 A 28 28 PRO HA H 28 4.872 4.675 0.197 1
1 259 . 3 1 1 A 28 28 PRO C C 28 176.165 175.794 0.371 1
1 260 . 3 1 1 A 28 28 PRO CA C 28 61.019 62.496 -1.477 1
1 261 . 3 1 1 A 28 28 PRO CB C 28 32.410 32.882 -0.472 1
1 264 . 3 1 1 A 29 29 ALA H H 29 8.513 8.355 0.158 1
1 265 . 3 1 1 A 29 29 ALA HA H 29 3.822 4.630 -0.808 1
1 269 . 3 1 1 A 29 29 ALA C C 29 178.074 177.931 0.143 1
1 270 . 3 1 1 A 29 29 ALA CA C 29 52.670 52.602 0.068 1
1 271 . 3 1 1 A 29 29 ALA CB C 29 19.721 19.490 0.231 1
1 272 . 3 1 1 A 29 29 ALA N N 29 120.286 123.921 -3.635 1
1 273 . 3 1 1 A 30 30 GLY H H 30 8.022 8.524 -0.502 1
1 274 . 3 1 1 A 30 30 GLY HA2 H 30 3.956 4.090 -0.134 1
1 275 . 3 1 1 A 30 30 GLY HA3 H 30 3.733 4.096 -0.363 1
1 276 . 3 1 1 A 30 30 GLY C C 30 174.944 173.731 1.213 1
1 277 . 3 1 1 A 30 30 GLY CA C 30 46.739 45.115 1.624 1
1 278 . 3 1 1 A 30 30 GLY N N 30 110.746 111.266 -0.520 1
1 279 . 3 1 1 A 31 31 VAL H H 31 7.736 7.426 0.310 1
1 280 . 3 1 1 A 31 31 VAL HA H 31 4.753 4.910 -0.157 1
1 288 . 3 1 1 A 31 31 VAL C C 31 173.642 173.694 -0.052 1
1 289 . 3 1 1 A 31 31 VAL CA C 31 58.809 59.077 -0.268 1
1 290 . 3 1 1 A 31 31 VAL CB C 31 34.719 35.573 -0.854 1
1 293 . 3 1 1 A 31 31 VAL N N 31 112.109 115.223 -3.114 1
1 294 . 3 1 1 A 32 32 GLU H H 32 8.264 8.922 -0.658 1
1 295 . 3 1 1 A 32 32 GLU HA H 32 5.090 5.135 -0.045 1
1 300 . 3 1 1 A 32 32 GLU C C 32 176.725 175.630 1.095 1
1 301 . 3 1 1 A 32 32 GLU CA C 32 55.713 55.123 0.590 1
1 302 . 3 1 1 A 32 32 GLU CB C 32 31.615 32.343 -0.728 1
1 304 . 3 1 1 A 32 32 GLU N N 32 121.304 122.369 -1.065 1
1 305 . 3 1 1 A 33 33 VAL H H 33 9.136 8.756 0.380 1
1 306 . 3 1 1 A 33 33 VAL HA H 33 5.001 4.952 0.049 1
1 314 . 3 1 1 A 33 33 VAL C C 33 174.395 173.406 0.989 1
1 315 . 3 1 1 A 33 33 VAL CA C 33 58.765 58.706 0.059 1
1 316 . 3 1 1 A 33 33 VAL CB C 33 34.596 35.336 -0.740 1
1 319 . 3 1 1 A 33 33 VAL N N 33 117.728 119.906 -2.178 1
1 320 . 3 1 1 A 34 34 GLN H H 34 8.551 8.370 0.181 1
1 321 . 3 1 1 A 34 34 GLN HA H 34 5.052 4.950 0.102 1
1 328 . 3 1 1 A 34 34 GLN C C 34 175.752 174.544 1.208 1
1 329 . 3 1 1 A 34 34 GLN CA C 34 54.328 54.170 0.158 1
1 330 . 3 1 1 A 34 34 GLN CB C 34 30.760 31.795 -1.035 1
1 332 . 3 1 1 A 34 34 GLN N N 34 119.032 121.694 -2.662 1
1 334 . 3 1 1 A 35 35 VAL H H 35 9.180 8.801 0.379 1
1 335 . 3 1 1 A 35 35 VAL HA H 35 4.144 3.967 0.177 1
1 343 . 3 1 1 A 35 35 VAL C C 35 175.602 175.331 0.271 1
1 344 . 3 1 1 A 35 35 VAL CA C 35 63.035 63.144 -0.109 1
1 345 . 3 1 1 A 35 35 VAL CB C 35 32.056 31.108 0.948 1
1 348 . 3 1 1 A 35 35 VAL N N 35 124.135 127.465 -3.330 1
1 349 . 3 1 1 A 36 36 LEU H H 36 9.175 9.187 -0.012 1
1 350 . 3 1 1 A 36 36 LEU HA H 36 4.429 4.241 0.188 1
1 360 . 3 1 1 A 36 36 LEU C C 36 177.299 176.855 0.444 1
1 361 . 3 1 1 A 36 36 LEU CA C 36 55.785 56.893 -1.108 1
1 362 . 3 1 1 A 36 36 LEU CB C 36 42.924 42.338 0.586 1
1 366 . 3 1 1 A 36 36 LEU N N 36 129.320 129.355 -0.035 1
1 367 . 3 1 1 A 37 37 GLU H H 37 7.569 7.911 -0.342 1
1 368 . 3 1 1 A 37 37 GLU HA H 37 4.414 4.843 -0.429 1
1 373 . 3 1 1 A 37 37 GLU C C 37 174.132 174.424 -0.292 1
1 374 . 3 1 1 A 37 37 GLU CA C 37 56.244 54.861 1.383 1
1 375 . 3 1 1 A 37 37 GLU CB C 37 33.236 33.383 -0.147 1
1 377 . 3 1 1 A 37 37 GLU N N 37 116.925 115.008 1.917 1
1 378 . 3 1 1 A 38 38 LYS H H 38 8.693 8.618 0.075 1
1 379 . 3 1 1 A 38 38 LYS HA H 38 4.181 5.149 -0.968 1
1 388 . 3 1 1 A 38 38 LYS C C 38 175.877 175.421 0.456 1
1 389 . 3 1 1 A 38 38 LYS CA C 38 55.579 54.540 1.039 1
1 390 . 3 1 1 A 38 38 LYS CB C 38 34.965 35.394 -0.429 1
1 394 . 3 1 1 A 38 38 LYS N N 38 124.828 124.058 0.770 1
1 395 . 3 1 1 A 39 39 GLN H H 39 7.682 9.161 -1.479 1
1 396 . 3 1 1 A 39 39 GLN HA H 39 4.896 4.875 0.021 1
1 403 . 3 1 1 A 39 39 GLN C C 39 177.964 176.309 1.655 1
1 404 . 3 1 1 A 39 39 GLN CA C 39 55.324 54.725 0.599 1
1 405 . 3 1 1 A 39 39 GLN CB C 39 31.670 31.229 0.441 1
1 407 . 3 1 1 A 39 39 GLN N N 39 119.391 122.508 -3.117 1
1 409 . 3 1 1 A 40 40 GLU HA H 40 4.308 4.039 0.269 1
1 414 . 3 1 1 A 40 40 GLU C C 40 176.777 178.151 -1.374 1
1 415 . 3 1 1 A 40 40 GLU CA C 40 58.541 60.616 -2.075 1
1 416 . 3 1 1 A 40 40 GLU CB C 40 29.363 29.798 -0.435 1
1 418 . 3 1 1 A 41 41 SER H H 41 7.986 8.012 -0.026 1
1 419 . 3 1 1 A 41 41 SER HA H 41 4.413 4.312 0.101 1
1 422 . 3 1 1 A 41 41 SER C C 41 175.434 175.365 0.069 1
1 423 . 3 1 1 A 41 41 SER CA C 41 58.707 60.526 -1.819 1
1 424 . 3 1 1 A 41 41 SER CB C 41 63.871 63.334 0.537 1
1 425 . 3 1 1 A 41 41 SER N N 41 113.216 115.346 -2.130 1
1 426 . 3 1 1 A 42 42 GLY H H 42 8.135 8.343 -0.208 1
1 427 . 3 1 1 A 42 42 GLY HA2 H 42 4.347 4.016 0.331 1
1 428 . 3 1 1 A 42 42 GLY HA3 H 42 3.625 4.130 -0.505 1
1 429 . 3 1 1 A 42 42 GLY C C 42 173.338 174.769 -1.431 1
1 430 . 3 1 1 A 42 42 GLY CA C 42 44.998 45.516 -0.518 1
1 431 . 3 1 1 A 42 42 GLY N N 42 108.513 109.598 -1.085 1
1 432 . 3 1 1 A 43 43 TRP H H 43 7.820 7.914 -0.094 1
1 433 . 3 1 1 A 43 43 TRP HA H 43 4.942 4.561 0.381 1
1 442 . 3 1 1 A 43 43 TRP C C 43 174.648 176.464 -1.816 1
1 443 . 3 1 1 A 43 43 TRP CA C 43 57.245 58.282 -1.037 1
1 444 . 3 1 1 A 43 43 TRP CB C 43 30.102 29.617 0.485 1
1 450 . 3 1 1 A 43 43 TRP N N 43 122.320 120.463 1.857 1
1 452 . 3 1 1 A 44 44 TRP H H 44 9.769 8.840 0.929 1
1 453 . 3 1 1 A 44 44 TRP HA H 44 5.875 5.543 0.332 1
1 462 . 3 1 1 A 44 44 TRP C C 44 173.703 175.451 -1.748 1
1 463 . 3 1 1 A 44 44 TRP CA C 44 53.298 55.110 -1.812 1
1 464 . 3 1 1 A 44 44 TRP CB C 44 32.961 31.343 1.618 1
1 470 . 3 1 1 A 44 44 TRP N N 44 125.138 124.428 0.710 1
1 472 . 3 1 1 A 45 45 TYR H H 45 9.168 8.970 0.198 1
1 473 . 3 1 1 A 45 45 TYR HA H 45 4.173 4.189 -0.016 1
1 480 . 3 1 1 A 45 45 TYR C C 45 175.086 174.815 0.271 1
1 481 . 3 1 1 A 45 45 TYR CA C 45 58.044 56.786 1.258 1
1 482 . 3 1 1 A 45 45 TYR CB C 45 38.792 37.755 1.037 1
1 487 . 3 1 1 A 45 45 TYR N N 45 127.429 126.115 1.314 1
1 488 . 3 1 1 A 46 46 VAL H H 46 8.689 8.954 -0.265 1
1 489 . 3 1 1 A 46 46 VAL HA H 46 5.142 5.115 0.027 1
1 497 . 3 1 1 A 46 46 VAL C C 46 172.384 173.563 -1.179 1
1 498 . 3 1 1 A 46 46 VAL CA C 46 59.010 59.268 -0.258 1
1 499 . 3 1 1 A 46 46 VAL CB C 46 35.502 34.128 1.374 1
1 502 . 3 1 1 A 46 46 VAL N N 46 124.245 122.045 2.200 1
1 503 . 3 1 1 A 47 47 ARG H H 47 9.049 8.335 0.714 1
1 504 . 3 1 1 A 47 47 ARG HA H 47 5.163 5.047 0.116 1
1 512 . 3 1 1 A 47 47 ARG C C 47 175.057 174.013 1.044 1
1 513 . 3 1 1 A 47 47 ARG CA C 47 54.158 54.325 -0.167 1
1 514 . 3 1 1 A 47 47 ARG CB C 47 34.146 33.386 0.760 1
1 517 . 3 1 1 A 47 47 ARG N N 47 120.700 121.439 -0.739 1
1 519 . 3 1 1 A 48 48 PHE H H 48 9.042 8.861 0.181 1
1 520 . 3 1 1 A 48 48 PHE HA H 48 5.296 4.730 0.566 1
1 528 . 3 1 1 A 48 48 PHE C C 48 175.133 175.564 -0.431 1
1 529 . 3 1 1 A 48 48 PHE CA C 48 54.446 57.007 -2.561 1
1 530 . 3 1 1 A 48 48 PHE CB C 48 40.369 40.856 -0.487 1
1 536 . 3 1 1 A 48 48 PHE N N 48 128.029 127.951 0.078 1
1 537 . 3 1 1 A 49 49 GLY H H 49 9.103 8.814 0.289 1
1 538 . 3 1 1 A 49 49 GLY HA2 H 49 3.644 3.596 0.048 1
1 539 . 3 1 1 A 49 49 GLY HA3 H 49 3.503 3.693 -0.190 1
1 540 . 3 1 1 A 49 49 GLY C C 49 174.287 174.639 -0.352 1
1 541 . 3 1 1 A 49 49 GLY CA C 49 47.008 47.105 -0.097 1
1 542 . 3 1 1 A 49 49 GLY N N 49 118.890 115.763 3.127 1
1 543 . 3 1 1 A 50 50 GLU H H 50 8.920 8.633 0.287 1
1 544 . 3 1 1 A 50 50 GLU HA H 50 4.333 4.408 -0.075 1
1 549 . 3 1 1 A 50 50 GLU C C 50 176.000 175.924 0.076 1
1 550 . 3 1 1 A 50 50 GLU CA C 50 56.080 56.160 -0.080 1
1 551 . 3 1 1 A 50 50 GLU CB C 50 30.022 29.988 0.034 1
1 553 . 3 1 1 A 50 50 GLU N N 50 125.280 126.278 -0.998 1
1 554 . 3 1 1 A 51 51 LEU H H 51 7.792 7.473 0.319 1
1 555 . 3 1 1 A 51 51 LEU HA H 51 4.635 4.880 -0.245 1
1 565 . 3 1 1 A 51 51 LEU C C 51 175.050 175.182 -0.132 1
1 566 . 3 1 1 A 51 51 LEU CA C 51 54.074 53.555 0.519 1
1 567 . 3 1 1 A 51 51 LEU CB C 51 44.171 47.473 -3.302 1
1 571 . 3 1 1 A 51 51 LEU N N 51 121.706 119.538 2.168 1
1 572 . 3 1 1 A 52 52 GLU H H 52 8.165 8.670 -0.505 1
1 573 . 3 1 1 A 52 52 GLU HA H 52 5.476 5.136 0.340 1
1 578 . 3 1 1 A 52 52 GLU C C 52 176.062 175.214 0.848 1
1 579 . 3 1 1 A 52 52 GLU CA C 52 53.810 54.846 -1.036 1
1 580 . 3 1 1 A 52 52 GLU CB C 52 33.486 32.858 0.628 1
1 582 . 3 1 1 A 52 52 GLU N N 52 116.700 119.482 -2.782 1
1 583 . 3 1 1 A 53 53 GLY H H 53 8.091 8.531 -0.440 1
1 584 . 3 1 1 A 53 53 GLY HA2 H 53 3.882 4.549 -0.667 1
1 585 . 3 1 1 A 53 53 GLY HA3 H 53 3.730 4.642 -0.912 1
1 586 . 3 1 1 A 53 53 GLY C C 53 170.279 171.686 -1.407 1
1 587 . 3 1 1 A 53 53 GLY CA C 53 45.344 44.578 0.766 1
1 588 . 3 1 1 A 53 53 GLY N N 53 106.613 110.756 -4.143 1
1 589 . 3 1 1 A 54 54 TRP H H 54 8.595 9.090 -0.495 1
1 590 . 3 1 1 A 54 54 TRP HA H 54 5.348 5.631 -0.283 1
1 599 . 3 1 1 A 54 54 TRP C C 54 175.873 176.211 -0.338 1
1 600 . 3 1 1 A 54 54 TRP CA C 54 57.602 57.117 0.485 1
1 601 . 3 1 1 A 54 54 TRP CB C 54 31.176 30.755 0.421 1
1 607 . 3 1 1 A 54 54 TRP N N 54 120.550 121.142 -0.592 1
1 609 . 3 1 1 A 55 55 ALA H H 55 9.993 9.439 0.554 1
1 610 . 3 1 1 A 55 55 ALA HA H 55 4.978 4.385 0.593 1
1 614 . 3 1 1 A 55 55 ALA C C 55 173.642 174.694 -1.052 1
1 615 . 3 1 1 A 55 55 ALA CA C 55 49.335 49.047 0.288 1
1 616 . 3 1 1 A 55 55 ALA CB C 55 22.101 21.421 0.680 1
1 617 . 3 1 1 A 55 55 ALA N N 55 122.386 127.666 -5.280 1
1 618 . 3 1 1 A 56 56 PRO HA H 56 3.586 4.159 -0.573 1
1 625 . 3 1 1 A 56 56 PRO C C 56 178.765 177.194 1.571 1
1 626 . 3 1 1 A 56 56 PRO CA C 56 61.218 62.339 -1.121 1
1 627 . 3 1 1 A 56 56 PRO CB C 56 30.430 32.011 -1.581 1
1 630 . 3 1 1 A 57 57 SER H H 57 8.187 8.073 0.114 1
1 631 . 3 1 1 A 57 57 SER HA H 57 2.721 3.361 -0.640 1
1 634 . 3 1 1 A 57 57 SER C C 57 175.094 175.910 -0.816 1
1 635 . 3 1 1 A 57 57 SER CA C 57 60.865 60.122 0.743 1
1 636 . 3 1 1 A 57 57 SER CB C 57 60.645 61.724 -1.079 1
1 637 . 3 1 1 A 57 57 SER N N 57 120.088 119.776 0.312 1
1 638 . 3 1 1 A 58 58 HIS H H 58 7.482 7.592 -0.110 1
1 639 . 3 1 1 A 58 58 HIS HA H 58 4.433 4.125 0.308 1
1 644 . 3 1 1 A 58 58 HIS C C 58 175.763 177.236 -1.473 1
1 645 . 3 1 1 A 58 58 HIS CA C 58 56.938 59.508 -2.570 1
1 646 . 3 1 1 A 58 58 HIS CB C 58 28.597 29.670 -1.073 1
1 649 . 3 1 1 A 58 58 HIS N N 58 115.490 119.121 -3.631 1
1 650 . 3 1 1 A 59 59 TYR H H 59 7.251 7.586 -0.335 1
1 651 . 3 1 1 A 59 59 TYR HA H 59 4.366 4.326 0.040 1
1 658 . 3 1 1 A 59 59 TYR C C 59 173.874 176.246 -2.372 1
1 659 . 3 1 1 A 59 59 TYR CA C 59 58.862 60.018 -1.156 1
1 660 . 3 1 1 A 59 59 TYR CB C 59 36.586 39.672 -3.086 1
1 665 . 3 1 1 A 59 59 TYR N N 59 120.460 116.633 3.827 1
1 666 . 3 1 1 A 60 60 LEU H H 60 7.574 6.949 0.625 1
1 667 . 3 1 1 A 60 60 LEU HA H 60 4.964 4.518 0.446 1
1 677 . 3 1 1 A 60 60 LEU C C 60 175.663 176.487 -0.824 1
1 678 . 3 1 1 A 60 60 LEU CA C 60 53.709 55.090 -1.381 1
1 679 . 3 1 1 A 60 60 LEU CB C 60 42.879 42.504 0.375 1
1 683 . 3 1 1 A 60 60 LEU N N 60 121.690 119.619 2.071 1
1 684 . 3 1 1 A 61 61 VAL H H 61 9.082 9.135 -0.053 1
1 685 . 3 1 1 A 61 61 VAL HA H 61 4.309 4.337 -0.028 1
1 693 . 3 1 1 A 61 61 VAL C C 61 174.803 175.839 -1.036 1
1 694 . 3 1 1 A 61 61 VAL CA C 61 61.381 62.560 -1.179 1
1 695 . 3 1 1 A 61 61 VAL CB C 61 33.607 32.141 1.466 1
1 698 . 3 1 1 A 61 61 VAL N N 61 119.010 124.616 -5.606 1
1 699 . 3 1 1 A 62 62 LEU H H 62 8.307 8.885 -0.578 1
1 700 . 3 1 1 A 62 62 LEU HA H 62 4.288 4.772 -0.484 1
1 710 . 3 1 1 A 62 62 LEU C C 62 176.976 176.783 0.193 1
1 711 . 3 1 1 A 62 62 LEU CA C 62 54.807 53.748 1.059 1
1 712 . 3 1 1 A 62 62 LEU CB C 62 42.932 42.958 -0.026 1
1 716 . 3 1 1 A 62 62 LEU N N 62 127.895 129.259 -1.364 1
1 717 . 3 1 1 A 63 63 ASP H H 63 8.475 8.687 -0.212 1
1 718 . 3 1 1 A 63 63 ASP HA H 63 4.595 4.858 -0.263 1
1 721 . 3 1 1 A 63 63 ASP C C 63 176.269 175.289 0.980 1
1 722 . 3 1 1 A 63 63 ASP CA C 63 53.903 53.926 -0.023 1
1 723 . 3 1 1 A 63 63 ASP CB C 63 41.618 41.185 0.433 1
1 724 . 3 1 1 A 63 63 ASP N N 63 122.904 120.885 2.019 1
1 725 . 3 1 1 A 64 64 GLU H H 64 8.528 7.550 0.978 1
1 726 . 3 1 1 A 64 64 GLU HA H 64 4.220 4.646 -0.426 1
1 731 . 3 1 1 A 64 64 GLU C C 64 176.504 176.229 0.275 1
1 732 . 3 1 1 A 64 64 GLU CA C 64 57.043 54.793 2.250 1
1 733 . 3 1 1 A 64 64 GLU CB C 64 30.214 30.670 -0.456 1
1 735 . 3 1 1 A 64 64 GLU N N 64 122.471 118.142 4.329 1
1 736 . 3 1 1 A 65 65 ASN H H 65 8.523 8.161 0.362 1
1 737 . 3 1 1 A 65 65 ASN HA H 65 4.661 4.550 0.111 1
1 742 . 3 1 1 A 65 65 ASN C C 65 175.223 175.551 -0.328 1
1 743 . 3 1 1 A 65 65 ASN CA C 65 53.674 54.110 -0.436 1
1 744 . 3 1 1 A 65 65 ASN CB C 65 39.088 39.293 -0.205 1
1 745 . 3 1 1 A 65 65 ASN N N 65 118.895 119.061 -0.166 1
1 747 . 3 1 1 A 66 66 GLU H H 66 8.222 8.633 -0.411 1
1 748 . 3 1 1 A 66 66 GLU HA H 66 4.293 4.405 -0.112 1
1 753 . 3 1 1 A 66 66 GLU C C 66 176.054 176.432 -0.378 1
1 754 . 3 1 1 A 66 66 GLU CA C 66 56.432 56.873 -0.441 1
1 755 . 3 1 1 A 66 66 GLU CB C 66 30.476 30.300 0.176 1
1 757 . 3 1 1 A 66 66 GLU N N 66 120.919 125.779 -4.860 1
1 758 . 3 1 1 A 67 67 GLN H H 67 8.293 8.647 -0.354 1
1 759 . 3 1 1 A 67 67 GLN HA H 67 4.582 4.854 -0.272 1
1 766 . 3 1 1 A 67 67 GLN C C 67 173.836 173.970 -0.134 1
1 767 . 3 1 1 A 67 67 GLN CA C 67 53.593 53.480 0.113 1
1 768 . 3 1 1 A 67 67 GLN CB C 67 28.949 30.324 -1.375 1
1 770 . 3 1 1 A 67 67 GLN N N 67 122.295 120.238 2.057 1
1 772 . 3 1 1 A 68 68 PRO HA H 68 4.401 4.707 -0.306 1
1 779 . 3 1 1 A 68 68 PRO CA C 68 62.882 62.419 0.463 1
1 780 . 3 1 1 A 68 68 PRO CB C 68 32.175 29.600 2.575 1
1 783 . 3 1 1 A 69 69 ASP H H 69 8.502 8.132 0.370 1
1 784 . 3 1 1 A 69 69 ASP HA H 69 4.836 5.093 -0.257 1
1 787 . 3 1 1 A 69 69 ASP CA C 69 51.945 51.391 0.554 1
1 788 . 3 1 1 A 69 69 ASP CB C 69 41.305 44.145 -2.840 1
1 789 . 3 1 1 A 69 69 ASP N N 69 121.937 123.493 -1.556 1
1 790 . 3 1 1 A 70 70 PRO HA H 70 4.437 4.752 -0.315 1
1 797 . 3 1 1 A 70 70 PRO C C 70 177.484 176.624 0.860 1
1 798 . 3 1 1 A 70 70 PRO CA C 70 63.777 62.697 1.080 1
1 799 . 3 1 1 A 70 70 PRO CB C 70 32.027 31.673 0.354 1
1 802 . 3 1 1 A 71 71 SER H H 71 8.506 8.546 -0.040 1
1 803 . 3 1 1 A 71 71 SER HA H 71 4.364 4.641 -0.277 1
1 806 . 3 1 1 A 71 71 SER C C 71 175.439 174.590 0.849 1
1 807 . 3 1 1 A 71 71 SER CA C 71 59.261 57.107 2.154 1
1 808 . 3 1 1 A 71 71 SER CB C 71 63.771 64.790 -1.019 1
1 809 . 3 1 1 A 71 71 SER N N 71 115.901 117.966 -2.065 1
1 810 . 3 1 1 A 72 72 GLY H H 72 8.258 8.494 -0.236 1
1 811 . 3 1 1 A 72 72 GLY HA2 H 72 3.958 4.178 -0.220 1
1 812 . 3 1 1 A 72 72 GLY HA3 H 72 3.958 4.179 -0.221 1
1 813 . 3 1 1 A 72 72 GLY C C 72 174.314 172.611 1.703 1
1 814 . 3 1 1 A 72 72 GLY CA C 72 45.469 46.165 -0.696 1
1 815 . 3 1 1 A 72 72 GLY N N 72 110.595 110.421 0.174 1
1 816 . 3 1 1 A 73 73 LYS H H 73 8.052 7.813 0.239 1
1 817 . 3 1 1 A 73 73 LYS HA H 73 4.305 5.019 -0.714 1
1 826 . 3 1 1 A 73 73 LYS C C 73 176.792 173.924 2.868 1
1 827 . 3 1 1 A 73 73 LYS CA C 73 56.420 55.061 1.359 1
1 828 . 3 1 1 A 73 73 LYS CB C 73 33.082 36.462 -3.380 1
1 832 . 3 1 1 A 73 73 LYS N N 73 120.614 121.728 -1.114 1
1 833 . 3 1 1 A 74 74 GLU H H 74 8.559 8.986 -0.427 1
1 834 . 3 1 1 A 74 74 GLU HA H 74 4.305 5.222 -0.917 1
1 839 . 3 1 1 A 74 74 GLU C C 74 176.648 174.899 1.749 1
1 840 . 3 1 1 A 74 74 GLU CA C 74 56.446 54.885 1.561 1
1 841 . 3 1 1 A 74 74 GLU CB C 74 30.215 33.509 -3.294 1
1 843 . 3 1 1 A 74 74 GLU N N 74 122.000 126.244 -4.244 1
1 844 . 3 1 1 A 75 75 SER H H 75 8.364 8.822 -0.458 1
1 845 . 3 1 1 A 75 75 SER HA H 75 4.450 4.959 -0.509 1
1 846 . 3 1 1 A 75 75 SER C C 75 174.540 172.592 1.948 1
1 847 . 3 1 1 A 75 75 SER CA C 75 58.538 57.381 1.157 1
1 848 . 3 1 1 A 75 75 SER CB C 75 63.977 66.153 -2.176 1
1 849 . 3 1 1 A 75 75 SER N N 75 116.992 119.012 -2.020 1
1 850 . 3 1 1 A 76 76 GLY H H 76 8.243 8.437 -0.194 1
1 851 . 3 1 1 A 76 76 GLY HA2 H 76 4.157 4.339 -0.182 1
1 852 . 3 1 1 A 76 76 GLY HA3 H 76 4.058 4.340 -0.282 1
1 853 . 3 1 1 A 76 76 GLY CA C 76 44.680 44.829 -0.149 1
1 854 . 3 1 1 A 76 76 GLY N N 76 110.704 107.390 3.314 1
1 855 . 3 1 1 A 77 77 PRO HA H 77 4.463 4.710 -0.247 1
1 862 . 3 1 1 A 77 77 PRO C C 77 177.454 177.337 0.117 1
1 863 . 3 1 1 A 77 77 PRO CA C 77 63.202 62.701 0.501 1
1 864 . 3 1 1 A 77 77 PRO CB C 77 32.276 31.877 0.399 1
1 867 . 3 1 1 A 78 78 SER H H 78 8.535 8.774 -0.239 1
1 870 . 3 1 1 A 78 78 SER C C 78 174.735 175.020 -0.285 1
1 871 . 3 1 1 A 78 78 SER CA C 78 58.373 61.506 -3.133 1
1 872 . 3 1 1 A 78 78 SER CB C 78 63.977 63.260 0.717 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.494 4.756 -0.262 1
1 2 . 4 1 1 A 6 6 SER CA C 6 58.785 57.826 0.959 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.483 63.684 -0.201 1
1 4 . 4 1 1 A 7 7 GLY H H 7 8.367 8.726 -0.359 1
1 5 . 4 1 1 A 7 7 GLY HA2 H 7 3.955 4.285 -0.330 1
1 6 . 4 1 1 A 7 7 GLY HA3 H 7 3.955 4.286 -0.331 1
1 7 . 4 1 1 A 7 7 GLY C C 7 173.640 172.942 0.698 1
1 8 . 4 1 1 A 7 7 GLY CA C 7 45.215 44.027 1.188 1
1 9 . 4 1 1 A 7 7 GLY N N 7 110.787 111.517 -0.730 1
1 10 . 4 1 1 A 8 8 ALA H H 8 8.126 8.562 -0.436 1
1 11 . 4 1 1 A 8 8 ALA HA H 8 4.458 5.093 -0.635 1
1 15 . 4 1 1 A 8 8 ALA C C 8 177.711 175.376 2.335 1
1 16 . 4 1 1 A 8 8 ALA CA C 8 52.493 51.373 1.120 1
1 17 . 4 1 1 A 8 8 ALA CB C 8 19.761 23.828 -4.067 1
1 18 . 4 1 1 A 8 8 ALA N N 8 123.680 122.935 0.745 1
1 19 . 4 1 1 A 9 9 THR H H 9 8.254 8.650 -0.396 1
1 20 . 4 1 1 A 9 9 THR HA H 9 4.527 5.066 -0.539 1
1 25 . 4 1 1 A 9 9 THR C C 9 174.050 172.728 1.322 1
1 26 . 4 1 1 A 9 9 THR CA C 9 61.874 61.063 0.811 1
1 27 . 4 1 1 A 9 9 THR CB C 9 70.580 71.267 -0.687 1
1 29 . 4 1 1 A 9 9 THR N N 9 113.196 114.162 -0.966 1
1 30 . 4 1 1 A 10 10 SER H H 10 8.264 8.741 -0.477 1
1 31 . 4 1 1 A 10 10 SER HA H 10 5.228 5.187 0.041 1
1 34 . 4 1 1 A 10 10 SER C C 10 173.318 173.110 0.208 1
1 35 . 4 1 1 A 10 10 SER CA C 10 58.404 57.684 0.720 1
1 36 . 4 1 1 A 10 10 SER CB C 10 64.098 64.118 -0.020 1
1 37 . 4 1 1 A 10 10 SER N N 10 120.509 121.782 -1.273 1
1 38 . 4 1 1 A 11 11 TYR H H 11 8.957 8.902 0.055 1
1 39 . 4 1 1 A 11 11 TYR HA H 11 4.793 5.281 -0.488 1
1 46 . 4 1 1 A 11 11 TYR C C 11 174.111 174.153 -0.042 1
1 47 . 4 1 1 A 11 11 TYR CA C 11 57.097 56.435 0.662 1
1 48 . 4 1 1 A 11 11 TYR CB C 11 43.764 42.812 0.952 1
1 53 . 4 1 1 A 11 11 TYR N N 11 124.069 124.944 -0.875 1
1 54 . 4 1 1 A 12 12 MET H H 12 8.985 8.853 0.132 1
1 55 . 4 1 1 A 12 12 MET HA H 12 5.463 5.141 0.322 1
1 63 . 4 1 1 A 12 12 MET C C 12 177.045 175.513 1.532 1
1 64 . 4 1 1 A 12 12 MET CA C 12 52.215 54.151 -1.936 1
1 65 . 4 1 1 A 12 12 MET CB C 12 33.195 36.156 -2.961 1
1 68 . 4 1 1 A 12 12 MET N N 12 118.428 120.087 -1.659 1
1 69 . 4 1 1 A 13 13 THR H H 13 9.132 8.669 0.463 1
1 70 . 4 1 1 A 13 13 THR HA H 13 4.872 4.771 0.101 1
1 75 . 4 1 1 A 13 13 THR C C 13 177.032 174.889 2.143 1
1 76 . 4 1 1 A 13 13 THR CA C 13 60.003 61.045 -1.042 1
1 77 . 4 1 1 A 13 13 THR CB C 13 69.597 69.988 -0.391 1
1 79 . 4 1 1 A 13 13 THR N N 13 113.981 115.903 -1.922 1
1 80 . 4 1 1 A 14 14 CYS H H 14 9.504 8.523 0.981 1
1 81 . 4 1 1 A 14 14 CYS HA H 14 4.806 4.619 0.187 1
1 84 . 4 1 1 A 14 14 CYS C C 14 173.712 174.925 -1.213 1
1 85 . 4 1 1 A 14 14 CYS CA C 14 57.209 59.592 -2.383 1
1 86 . 4 1 1 A 14 14 CYS CB C 14 28.772 28.742 0.030 1
1 87 . 4 1 1 A 14 14 CYS N N 14 122.485 120.315 2.170 1
1 88 . 4 1 1 A 15 15 SER H H 15 7.796 7.861 -0.065 1
1 89 . 4 1 1 A 15 15 SER HA H 15 4.578 4.929 -0.351 1
1 92 . 4 1 1 A 15 15 SER C C 15 171.037 172.838 -1.801 1
1 93 . 4 1 1 A 15 15 SER CA C 15 56.858 57.992 -1.134 1
1 94 . 4 1 1 A 15 15 SER CB C 15 66.124 67.010 -0.886 1
1 95 . 4 1 1 A 15 15 SER N N 15 116.311 116.196 0.115 1
1 96 . 4 1 1 A 16 16 ALA H H 16 8.398 8.437 -0.039 1
1 97 . 4 1 1 A 16 16 ALA HA H 16 4.582 4.921 -0.339 1
1 101 . 4 1 1 A 16 16 ALA C C 16 176.897 176.017 0.880 1
1 102 . 4 1 1 A 16 16 ALA CA C 16 52.085 51.464 0.621 1
1 103 . 4 1 1 A 16 16 ALA CB C 16 19.720 19.781 -0.061 1
1 104 . 4 1 1 A 16 16 ALA N N 16 124.071 125.689 -1.618 1
1 105 . 4 1 1 A 17 17 TYR H H 17 8.401 8.215 0.186 1
1 106 . 4 1 1 A 17 17 TYR HA H 17 4.384 4.952 -0.568 1
1 113 . 4 1 1 A 17 17 TYR C C 17 173.836 173.602 0.234 1
1 114 . 4 1 1 A 17 17 TYR CA C 17 57.801 56.673 1.128 1
1 115 . 4 1 1 A 17 17 TYR CB C 17 42.166 40.854 1.312 1
1 120 . 4 1 1 A 17 17 TYR N N 17 121.997 125.948 -3.951 1
1 121 . 4 1 1 A 18 18 GLN H H 18 6.844 8.261 -1.417 1
1 122 . 4 1 1 A 18 18 GLN HA H 18 4.318 4.504 -0.186 1
1 129 . 4 1 1 A 18 18 GLN C C 18 172.990 174.808 -1.818 1
1 130 . 4 1 1 A 18 18 GLN CA C 18 52.767 53.457 -0.690 1
1 131 . 4 1 1 A 18 18 GLN CB C 18 29.940 31.198 -1.258 1
1 133 . 4 1 1 A 18 18 GLN N N 18 127.603 127.466 0.137 1
1 135 . 4 1 1 A 19 19 LYS H H 19 8.155 8.256 -0.101 1
1 136 . 4 1 1 A 19 19 LYS HA H 19 4.130 4.319 -0.189 1
1 145 . 4 1 1 A 19 19 LYS C C 19 175.995 175.871 0.124 1
1 146 . 4 1 1 A 19 19 LYS CA C 19 56.489 56.312 0.177 1
1 147 . 4 1 1 A 19 19 LYS CB C 19 33.369 33.163 0.206 1
1 151 . 4 1 1 A 19 19 LYS N N 19 123.114 124.170 -1.056 1
1 152 . 4 1 1 A 20 20 VAL H H 20 8.679 8.966 -0.287 1
1 153 . 4 1 1 A 20 20 VAL HA H 20 4.153 4.223 -0.070 1
1 161 . 4 1 1 A 20 20 VAL C C 20 176.493 174.967 1.526 1
1 162 . 4 1 1 A 20 20 VAL CA C 20 62.520 63.563 -1.043 1
1 163 . 4 1 1 A 20 20 VAL CB C 20 32.847 34.258 -1.411 1
1 166 . 4 1 1 A 20 20 VAL N N 20 120.106 119.442 0.664 1
1 167 . 4 1 1 A 21 21 GLN H H 21 7.133 7.816 -0.683 1
1 168 . 4 1 1 A 21 21 GLN HA H 21 4.582 4.693 -0.111 1
1 175 . 4 1 1 A 21 21 GLN C C 21 177.019 176.698 0.321 1
1 176 . 4 1 1 A 21 21 GLN CA C 21 54.291 54.387 -0.096 1
1 177 . 4 1 1 A 21 21 GLN CB C 21 31.023 31.371 -0.348 1
1 179 . 4 1 1 A 21 21 GLN N N 21 116.079 118.535 -2.456 1
1 181 . 4 1 1 A 22 22 ASP H H 22 8.858 9.002 -0.144 1
1 182 . 4 1 1 A 22 22 ASP HA H 22 4.318 4.321 -0.003 1
1 185 . 4 1 1 A 22 22 ASP C C 22 176.746 178.561 -1.815 1
1 186 . 4 1 1 A 22 22 ASP CA C 22 57.752 57.220 0.532 1
1 187 . 4 1 1 A 22 22 ASP CB C 22 40.859 40.212 0.647 1
1 188 . 4 1 1 A 22 22 ASP N N 22 120.173 122.962 -2.789 1
1 189 . 4 1 1 A 23 23 SER H H 23 7.860 8.161 -0.301 1
1 190 . 4 1 1 A 23 23 SER HA H 23 4.648 4.286 0.362 1
1 193 . 4 1 1 A 23 23 SER C C 23 175.526 175.557 -0.031 1
1 194 . 4 1 1 A 23 23 SER CA C 23 58.597 61.736 -3.139 1
1 195 . 4 1 1 A 23 23 SER CB C 23 62.993 63.176 -0.183 1
1 196 . 4 1 1 A 23 23 SER N N 23 110.013 115.176 -5.163 1
1 197 . 4 1 1 A 24 24 GLU H H 24 7.579 8.093 -0.514 1
1 198 . 4 1 1 A 24 24 GLU HA H 24 5.574 4.743 0.831 1
1 203 . 4 1 1 A 24 24 GLU C C 24 174.394 175.341 -0.947 1
1 204 . 4 1 1 A 24 24 GLU CA C 24 55.633 57.306 -1.673 1
1 205 . 4 1 1 A 24 24 GLU CB C 24 32.848 30.739 2.109 1
1 207 . 4 1 1 A 24 24 GLU N N 24 122.542 118.973 3.569 1
1 208 . 4 1 1 A 25 25 ILE H H 25 7.894 8.908 -1.014 1
1 209 . 4 1 1 A 25 25 ILE HA H 25 4.661 4.995 -0.334 1
1 219 . 4 1 1 A 25 25 ILE C C 25 171.519 174.333 -2.814 1
1 220 . 4 1 1 A 25 25 ILE CA C 25 58.838 59.528 -0.690 1
1 221 . 4 1 1 A 25 25 ILE CB C 25 42.673 42.257 0.416 1
1 225 . 4 1 1 A 25 25 ILE N N 25 117.944 123.223 -5.279 1
1 226 . 4 1 1 A 26 26 SER H H 26 7.535 9.103 -1.568 1
1 227 . 4 1 1 A 26 26 SER HA H 26 4.885 5.249 -0.364 1
1 230 . 4 1 1 A 26 26 SER C C 26 174.052 174.003 0.049 1
1 231 . 4 1 1 A 26 26 SER CA C 26 56.515 57.313 -0.798 1
1 232 . 4 1 1 A 26 26 SER CB C 26 65.131 64.761 0.370 1
1 233 . 4 1 1 A 26 26 SER N N 26 116.426 123.775 -7.349 1
1 234 . 4 1 1 A 27 27 PHE H H 27 8.271 8.268 0.003 1
1 235 . 4 1 1 A 27 27 PHE HA H 27 4.934 5.227 -0.293 1
1 243 . 4 1 1 A 27 27 PHE C C 27 173.278 173.133 0.145 1
1 244 . 4 1 1 A 27 27 PHE CA C 27 53.758 54.617 -0.859 1
1 245 . 4 1 1 A 27 27 PHE CB C 27 37.379 41.801 -4.422 1
1 251 . 4 1 1 A 27 27 PHE N N 27 116.221 119.085 -2.864 1
1 252 . 4 1 1 A 28 28 PRO HA H 28 4.872 4.676 0.196 1
1 259 . 4 1 1 A 28 28 PRO C C 28 176.165 175.688 0.477 1
1 260 . 4 1 1 A 28 28 PRO CA C 28 61.019 62.489 -1.470 1
1 261 . 4 1 1 A 28 28 PRO CB C 28 32.410 32.843 -0.433 1
1 264 . 4 1 1 A 29 29 ALA H H 29 8.513 8.322 0.191 1
1 265 . 4 1 1 A 29 29 ALA HA H 29 3.822 4.590 -0.768 1
1 269 . 4 1 1 A 29 29 ALA C C 29 178.074 178.101 -0.027 1
1 270 . 4 1 1 A 29 29 ALA CA C 29 52.670 52.976 -0.306 1
1 271 . 4 1 1 A 29 29 ALA CB C 29 19.721 19.544 0.177 1
1 272 . 4 1 1 A 29 29 ALA N N 29 120.286 124.098 -3.812 1
1 273 . 4 1 1 A 30 30 GLY H H 30 8.022 8.620 -0.598 1
1 274 . 4 1 1 A 30 30 GLY HA2 H 30 3.956 4.091 -0.135 1
1 275 . 4 1 1 A 30 30 GLY HA3 H 30 3.733 4.095 -0.362 1
1 276 . 4 1 1 A 30 30 GLY C C 30 174.944 173.756 1.188 1
1 277 . 4 1 1 A 30 30 GLY CA C 30 46.739 45.247 1.492 1
1 278 . 4 1 1 A 30 30 GLY N N 30 110.746 111.151 -0.405 1
1 279 . 4 1 1 A 31 31 VAL H H 31 7.736 7.446 0.290 1
1 280 . 4 1 1 A 31 31 VAL HA H 31 4.753 4.831 -0.078 1
1 288 . 4 1 1 A 31 31 VAL C C 31 173.642 174.319 -0.677 1
1 289 . 4 1 1 A 31 31 VAL CA C 31 58.809 59.182 -0.373 1
1 290 . 4 1 1 A 31 31 VAL CB C 31 34.719 35.347 -0.628 1
1 293 . 4 1 1 A 31 31 VAL N N 31 112.109 115.484 -3.375 1
1 294 . 4 1 1 A 32 32 GLU H H 32 8.264 8.843 -0.579 1
1 295 . 4 1 1 A 32 32 GLU HA H 32 5.090 4.892 0.198 1
1 300 . 4 1 1 A 32 32 GLU C C 32 176.725 176.169 0.556 1
1 301 . 4 1 1 A 32 32 GLU CA C 32 55.713 55.481 0.232 1
1 302 . 4 1 1 A 32 32 GLU CB C 32 31.615 31.154 0.461 1
1 304 . 4 1 1 A 32 32 GLU N N 32 121.304 123.411 -2.107 1
1 305 . 4 1 1 A 33 33 VAL H H 33 9.136 8.741 0.395 1
1 306 . 4 1 1 A 33 33 VAL HA H 33 5.001 5.014 -0.013 1
1 314 . 4 1 1 A 33 33 VAL C C 33 174.395 173.321 1.074 1
1 315 . 4 1 1 A 33 33 VAL CA C 33 58.765 58.657 0.108 1
1 316 . 4 1 1 A 33 33 VAL CB C 33 34.596 36.070 -1.474 1
1 319 . 4 1 1 A 33 33 VAL N N 33 117.728 119.555 -1.827 1
1 320 . 4 1 1 A 34 34 GLN H H 34 8.551 8.634 -0.083 1
1 321 . 4 1 1 A 34 34 GLN HA H 34 5.052 5.094 -0.042 1
1 328 . 4 1 1 A 34 34 GLN C C 34 175.752 174.267 1.485 1
1 329 . 4 1 1 A 34 34 GLN CA C 34 54.328 54.067 0.261 1
1 330 . 4 1 1 A 34 34 GLN CB C 34 30.760 31.686 -0.926 1
1 332 . 4 1 1 A 34 34 GLN N N 34 119.032 121.043 -2.011 1
1 334 . 4 1 1 A 35 35 VAL H H 35 9.180 8.854 0.326 1
1 335 . 4 1 1 A 35 35 VAL HA H 35 4.144 3.964 0.180 1
1 343 . 4 1 1 A 35 35 VAL C C 35 175.602 175.428 0.174 1
1 344 . 4 1 1 A 35 35 VAL CA C 35 63.035 63.166 -0.131 1
1 345 . 4 1 1 A 35 35 VAL CB C 35 32.056 31.162 0.894 1
1 348 . 4 1 1 A 35 35 VAL N N 35 124.135 127.417 -3.282 1
1 349 . 4 1 1 A 36 36 LEU H H 36 9.175 9.111 0.064 1
1 350 . 4 1 1 A 36 36 LEU HA H 36 4.429 4.265 0.164 1
1 360 . 4 1 1 A 36 36 LEU C C 36 177.299 176.711 0.588 1
1 361 . 4 1 1 A 36 36 LEU CA C 36 55.785 56.507 -0.722 1
1 362 . 4 1 1 A 36 36 LEU CB C 36 42.924 42.637 0.287 1
1 366 . 4 1 1 A 36 36 LEU N N 36 129.320 129.261 0.059 1
1 367 . 4 1 1 A 37 37 GLU H H 37 7.569 7.839 -0.270 1
1 368 . 4 1 1 A 37 37 GLU HA H 37 4.414 4.856 -0.442 1
1 373 . 4 1 1 A 37 37 GLU C C 37 174.132 174.232 -0.100 1
1 374 . 4 1 1 A 37 37 GLU CA C 37 56.244 55.035 1.209 1
1 375 . 4 1 1 A 37 37 GLU CB C 37 33.236 33.488 -0.252 1
1 377 . 4 1 1 A 37 37 GLU N N 37 116.925 115.502 1.423 1
1 378 . 4 1 1 A 38 38 LYS H H 38 8.693 8.654 0.039 1
1 379 . 4 1 1 A 38 38 LYS HA H 38 4.181 5.349 -1.168 1
1 388 . 4 1 1 A 38 38 LYS C C 38 175.877 175.344 0.533 1
1 389 . 4 1 1 A 38 38 LYS CA C 38 55.579 54.783 0.796 1
1 390 . 4 1 1 A 38 38 LYS CB C 38 34.965 35.902 -0.937 1
1 394 . 4 1 1 A 38 38 LYS N N 38 124.828 123.356 1.472 1
1 395 . 4 1 1 A 39 39 GLN H H 39 7.682 9.167 -1.485 1
1 396 . 4 1 1 A 39 39 GLN HA H 39 4.896 4.705 0.191 1
1 403 . 4 1 1 A 39 39 GLN C C 39 177.964 177.413 0.551 1
1 404 . 4 1 1 A 39 39 GLN CA C 39 55.324 54.374 0.950 1
1 405 . 4 1 1 A 39 39 GLN CB C 39 31.670 31.006 0.664 1
1 407 . 4 1 1 A 39 39 GLN N N 39 119.391 122.521 -3.130 1
1 409 . 4 1 1 A 40 40 GLU HA H 40 4.308 4.061 0.247 1
1 414 . 4 1 1 A 40 40 GLU C C 40 176.777 178.872 -2.095 1
1 415 . 4 1 1 A 40 40 GLU CA C 40 58.541 59.605 -1.064 1
1 416 . 4 1 1 A 40 40 GLU CB C 40 29.363 29.762 -0.399 1
1 418 . 4 1 1 A 41 41 SER H H 41 7.986 7.989 -0.003 1
1 419 . 4 1 1 A 41 41 SER HA H 41 4.413 4.330 0.083 1
1 422 . 4 1 1 A 41 41 SER C C 41 175.434 174.769 0.665 1
1 423 . 4 1 1 A 41 41 SER CA C 41 58.707 60.932 -2.225 1
1 424 . 4 1 1 A 41 41 SER CB C 41 63.871 63.575 0.296 1
1 425 . 4 1 1 A 41 41 SER N N 41 113.216 114.168 -0.952 1
1 426 . 4 1 1 A 42 42 GLY H H 42 8.135 8.064 0.071 1
1 427 . 4 1 1 A 42 42 GLY HA2 H 42 4.347 3.978 0.369 1
1 428 . 4 1 1 A 42 42 GLY HA3 H 42 3.625 4.116 -0.491 1
1 429 . 4 1 1 A 42 42 GLY C C 42 173.338 174.211 -0.873 1
1 430 . 4 1 1 A 42 42 GLY CA C 42 44.998 45.050 -0.052 1
1 431 . 4 1 1 A 42 42 GLY N N 42 108.513 107.943 0.570 1
1 432 . 4 1 1 A 43 43 TRP H H 43 7.820 7.989 -0.169 1
1 433 . 4 1 1 A 43 43 TRP HA H 43 4.942 4.885 0.057 1
1 442 . 4 1 1 A 43 43 TRP C C 43 174.648 175.397 -0.749 1
1 443 . 4 1 1 A 43 43 TRP CA C 43 57.245 56.517 0.728 1
1 444 . 4 1 1 A 43 43 TRP CB C 43 30.102 30.981 -0.879 1
1 450 . 4 1 1 A 43 43 TRP N N 43 122.320 119.547 2.773 1
1 452 . 4 1 1 A 44 44 TRP H H 44 9.769 9.063 0.706 1
1 453 . 4 1 1 A 44 44 TRP HA H 44 5.875 5.660 0.215 1
1 462 . 4 1 1 A 44 44 TRP C C 44 173.703 175.090 -1.387 1
1 463 . 4 1 1 A 44 44 TRP CA C 44 53.298 54.628 -1.330 1
1 464 . 4 1 1 A 44 44 TRP CB C 44 32.961 32.066 0.895 1
1 470 . 4 1 1 A 44 44 TRP N N 44 125.138 124.571 0.567 1
1 472 . 4 1 1 A 45 45 TYR H H 45 9.168 8.849 0.319 1
1 473 . 4 1 1 A 45 45 TYR HA H 45 4.173 4.198 -0.025 1
1 480 . 4 1 1 A 45 45 TYR C C 45 175.086 174.616 0.470 1
1 481 . 4 1 1 A 45 45 TYR CA C 45 58.044 56.471 1.573 1
1 482 . 4 1 1 A 45 45 TYR CB C 45 38.792 37.908 0.884 1
1 487 . 4 1 1 A 45 45 TYR N N 45 127.429 126.060 1.369 1
1 488 . 4 1 1 A 46 46 VAL H H 46 8.689 8.653 0.036 1
1 489 . 4 1 1 A 46 46 VAL HA H 46 5.142 5.144 -0.002 1
1 497 . 4 1 1 A 46 46 VAL C C 46 172.384 173.662 -1.278 1
1 498 . 4 1 1 A 46 46 VAL CA C 46 59.010 59.614 -0.604 1
1 499 . 4 1 1 A 46 46 VAL CB C 46 35.502 33.884 1.618 1
1 502 . 4 1 1 A 46 46 VAL N N 46 124.245 122.344 1.901 1
1 503 . 4 1 1 A 47 47 ARG H H 47 9.049 8.189 0.860 1
1 504 . 4 1 1 A 47 47 ARG HA H 47 5.163 5.015 0.148 1
1 512 . 4 1 1 A 47 47 ARG C C 47 175.057 173.957 1.100 1
1 513 . 4 1 1 A 47 47 ARG CA C 47 54.158 54.341 -0.183 1
1 514 . 4 1 1 A 47 47 ARG CB C 47 34.146 33.623 0.523 1
1 517 . 4 1 1 A 47 47 ARG N N 47 120.700 121.343 -0.643 1
1 519 . 4 1 1 A 48 48 PHE H H 48 9.042 8.830 0.212 1
1 520 . 4 1 1 A 48 48 PHE HA H 48 5.296 4.730 0.566 1
1 528 . 4 1 1 A 48 48 PHE C C 48 175.133 175.627 -0.494 1
1 529 . 4 1 1 A 48 48 PHE CA C 48 54.446 57.100 -2.654 1
1 530 . 4 1 1 A 48 48 PHE CB C 48 40.369 41.003 -0.634 1
1 536 . 4 1 1 A 48 48 PHE N N 48 128.029 127.968 0.061 1
1 537 . 4 1 1 A 49 49 GLY H H 49 9.103 8.793 0.310 1
1 538 . 4 1 1 A 49 49 GLY HA2 H 49 3.644 3.571 0.073 1
1 539 . 4 1 1 A 49 49 GLY HA3 H 49 3.503 3.672 -0.169 1
1 540 . 4 1 1 A 49 49 GLY C C 49 174.287 174.788 -0.501 1
1 541 . 4 1 1 A 49 49 GLY CA C 49 47.008 47.085 -0.077 1
1 542 . 4 1 1 A 49 49 GLY N N 49 118.890 115.995 2.895 1
1 543 . 4 1 1 A 50 50 GLU H H 50 8.920 8.715 0.205 1
1 544 . 4 1 1 A 50 50 GLU HA H 50 4.333 4.396 -0.063 1
1 549 . 4 1 1 A 50 50 GLU C C 50 176.000 175.922 0.078 1
1 550 . 4 1 1 A 50 50 GLU CA C 50 56.080 56.312 -0.232 1
1 551 . 4 1 1 A 50 50 GLU CB C 50 30.022 30.369 -0.347 1
1 553 . 4 1 1 A 50 50 GLU N N 50 125.280 126.335 -1.055 1
1 554 . 4 1 1 A 51 51 LEU H H 51 7.792 7.269 0.523 1
1 555 . 4 1 1 A 51 51 LEU HA H 51 4.635 4.796 -0.161 1
1 565 . 4 1 1 A 51 51 LEU C C 51 175.050 175.906 -0.856 1
1 566 . 4 1 1 A 51 51 LEU CA C 51 54.074 53.126 0.948 1
1 567 . 4 1 1 A 51 51 LEU CB C 51 44.171 45.439 -1.268 1
1 571 . 4 1 1 A 51 51 LEU N N 51 121.706 122.407 -0.701 1
1 572 . 4 1 1 A 52 52 GLU H H 52 8.165 8.638 -0.473 1
1 573 . 4 1 1 A 52 52 GLU HA H 52 5.476 5.104 0.372 1
1 578 . 4 1 1 A 52 52 GLU C C 52 176.062 175.121 0.941 1
1 579 . 4 1 1 A 52 52 GLU CA C 52 53.810 54.819 -1.009 1
1 580 . 4 1 1 A 52 52 GLU CB C 52 33.486 32.822 0.664 1
1 582 . 4 1 1 A 52 52 GLU N N 52 116.700 119.019 -2.319 1
1 583 . 4 1 1 A 53 53 GLY H H 53 8.091 8.505 -0.414 1
1 584 . 4 1 1 A 53 53 GLY HA2 H 53 3.882 4.550 -0.668 1
1 585 . 4 1 1 A 53 53 GLY HA3 H 53 3.730 4.679 -0.949 1
1 586 . 4 1 1 A 53 53 GLY C C 53 170.279 171.744 -1.465 1
1 587 . 4 1 1 A 53 53 GLY CA C 53 45.344 44.406 0.938 1
1 588 . 4 1 1 A 53 53 GLY N N 53 106.613 110.862 -4.249 1
1 589 . 4 1 1 A 54 54 TRP H H 54 8.595 9.144 -0.549 1
1 590 . 4 1 1 A 54 54 TRP HA H 54 5.348 5.553 -0.205 1
1 599 . 4 1 1 A 54 54 TRP C C 54 175.873 176.716 -0.843 1
1 600 . 4 1 1 A 54 54 TRP CA C 54 57.602 57.655 -0.053 1
1 601 . 4 1 1 A 54 54 TRP CB C 54 31.176 30.475 0.701 1
1 607 . 4 1 1 A 54 54 TRP N N 54 120.550 121.383 -0.833 1
1 609 . 4 1 1 A 55 55 ALA H H 55 9.993 9.440 0.553 1
1 610 . 4 1 1 A 55 55 ALA HA H 55 4.978 4.223 0.755 1
1 614 . 4 1 1 A 55 55 ALA C C 55 173.642 174.518 -0.876 1
1 615 . 4 1 1 A 55 55 ALA CA C 55 49.335 48.913 0.422 1
1 616 . 4 1 1 A 55 55 ALA CB C 55 22.101 21.422 0.679 1
1 617 . 4 1 1 A 55 55 ALA N N 55 122.386 127.253 -4.867 1
1 618 . 4 1 1 A 56 56 PRO HA H 56 3.586 3.875 -0.289 1
1 625 . 4 1 1 A 56 56 PRO C C 56 178.765 176.766 1.999 1
1 626 . 4 1 1 A 56 56 PRO CA C 56 61.218 62.164 -0.946 1
1 627 . 4 1 1 A 56 56 PRO CB C 56 30.430 32.232 -1.802 1
1 630 . 4 1 1 A 57 57 SER H H 57 8.187 7.622 0.565 1
1 631 . 4 1 1 A 57 57 SER HA H 57 2.721 3.223 -0.502 1
1 634 . 4 1 1 A 57 57 SER C C 57 175.094 175.670 -0.576 1
1 635 . 4 1 1 A 57 57 SER CA C 57 60.865 59.628 1.237 1
1 636 . 4 1 1 A 57 57 SER CB C 57 60.645 62.049 -1.404 1
1 637 . 4 1 1 A 57 57 SER N N 57 120.088 118.399 1.689 1
1 638 . 4 1 1 A 58 58 HIS H H 58 7.482 7.194 0.288 1
1 639 . 4 1 1 A 58 58 HIS HA H 58 4.433 4.168 0.265 1
1 644 . 4 1 1 A 58 58 HIS C C 58 175.763 176.589 -0.826 1
1 645 . 4 1 1 A 58 58 HIS CA C 58 56.938 59.271 -2.333 1
1 646 . 4 1 1 A 58 58 HIS CB C 58 28.597 29.858 -1.261 1
1 649 . 4 1 1 A 58 58 HIS N N 58 115.490 119.048 -3.558 1
1 650 . 4 1 1 A 59 59 TYR H H 59 7.251 7.441 -0.190 1
1 651 . 4 1 1 A 59 59 TYR HA H 59 4.366 4.366 0.000 1
1 658 . 4 1 1 A 59 59 TYR C C 59 173.874 176.267 -2.393 1
1 659 . 4 1 1 A 59 59 TYR CA C 59 58.862 59.586 -0.724 1
1 660 . 4 1 1 A 59 59 TYR CB C 59 36.586 39.748 -3.162 1
1 665 . 4 1 1 A 59 59 TYR N N 59 120.460 116.544 3.916 1
1 666 . 4 1 1 A 60 60 LEU H H 60 7.574 7.085 0.489 1
1 667 . 4 1 1 A 60 60 LEU HA H 60 4.964 4.180 0.784 1
1 677 . 4 1 1 A 60 60 LEU C C 60 175.663 176.374 -0.711 1
1 678 . 4 1 1 A 60 60 LEU CA C 60 53.709 55.481 -1.772 1
1 679 . 4 1 1 A 60 60 LEU CB C 60 42.879 41.978 0.901 1
1 683 . 4 1 1 A 60 60 LEU N N 60 121.690 119.740 1.950 1
1 684 . 4 1 1 A 61 61 VAL H H 61 9.082 8.892 0.190 1
1 685 . 4 1 1 A 61 61 VAL HA H 61 4.309 4.336 -0.027 1
1 693 . 4 1 1 A 61 61 VAL C C 61 174.803 175.920 -1.117 1
1 694 . 4 1 1 A 61 61 VAL CA C 61 61.381 62.694 -1.313 1
1 695 . 4 1 1 A 61 61 VAL CB C 61 33.607 31.410 2.197 1
1 698 . 4 1 1 A 61 61 VAL N N 61 119.010 125.539 -6.529 1
1 699 . 4 1 1 A 62 62 LEU H H 62 8.307 8.545 -0.238 1
1 700 . 4 1 1 A 62 62 LEU HA H 62 4.288 5.081 -0.793 1
1 710 . 4 1 1 A 62 62 LEU C C 62 176.976 176.848 0.128 1
1 711 . 4 1 1 A 62 62 LEU CA C 62 54.807 53.289 1.518 1
1 712 . 4 1 1 A 62 62 LEU CB C 62 42.932 45.633 -2.701 1
1 716 . 4 1 1 A 62 62 LEU N N 62 127.895 124.332 3.563 1
1 717 . 4 1 1 A 63 63 ASP H H 63 8.475 9.231 -0.756 1
1 718 . 4 1 1 A 63 63 ASP HA H 63 4.595 4.225 0.370 1
1 721 . 4 1 1 A 63 63 ASP C C 63 176.269 177.295 -1.026 1
1 722 . 4 1 1 A 63 63 ASP CA C 63 53.903 58.094 -4.191 1
1 723 . 4 1 1 A 63 63 ASP CB C 63 41.618 41.034 0.584 1
1 724 . 4 1 1 A 63 63 ASP N N 63 122.904 121.140 1.764 1
1 725 . 4 1 1 A 64 64 GLU H H 64 8.528 7.924 0.604 1
1 726 . 4 1 1 A 64 64 GLU HA H 64 4.220 4.385 -0.165 1
1 731 . 4 1 1 A 64 64 GLU C C 64 176.504 175.199 1.305 1
1 732 . 4 1 1 A 64 64 GLU CA C 64 57.043 56.023 1.020 1
1 733 . 4 1 1 A 64 64 GLU CB C 64 30.214 28.925 1.289 1
1 735 . 4 1 1 A 64 64 GLU N N 64 122.471 118.762 3.709 1
1 736 . 4 1 1 A 65 65 ASN H H 65 8.523 8.840 -0.317 1
1 737 . 4 1 1 A 65 65 ASN HA H 65 4.661 5.126 -0.465 1
1 742 . 4 1 1 A 65 65 ASN C C 65 175.223 174.066 1.157 1
1 743 . 4 1 1 A 65 65 ASN CA C 65 53.674 52.338 1.336 1
1 744 . 4 1 1 A 65 65 ASN CB C 65 39.088 37.564 1.524 1
1 745 . 4 1 1 A 65 65 ASN N N 65 118.895 124.790 -5.895 1
1 747 . 4 1 1 A 66 66 GLU H H 66 8.222 8.196 0.026 1
1 748 . 4 1 1 A 66 66 GLU HA H 66 4.293 4.489 -0.196 1
1 753 . 4 1 1 A 66 66 GLU C C 66 176.054 174.903 1.151 1
1 754 . 4 1 1 A 66 66 GLU CA C 66 56.432 56.293 0.139 1
1 755 . 4 1 1 A 66 66 GLU CB C 66 30.476 32.227 -1.751 1
1 757 . 4 1 1 A 66 66 GLU N N 66 120.919 123.158 -2.239 1
1 758 . 4 1 1 A 67 67 GLN H H 67 8.293 8.461 -0.168 1
1 759 . 4 1 1 A 67 67 GLN HA H 67 4.582 4.314 0.268 1
1 766 . 4 1 1 A 67 67 GLN C C 67 173.836 174.466 -0.630 1
1 767 . 4 1 1 A 67 67 GLN CA C 67 53.593 54.845 -1.252 1
1 768 . 4 1 1 A 67 67 GLN CB C 67 28.949 28.172 0.777 1
1 770 . 4 1 1 A 67 67 GLN N N 67 122.295 127.103 -4.808 1
1 772 . 4 1 1 A 68 68 PRO HA H 68 4.401 4.630 -0.229 1
1 779 . 4 1 1 A 68 68 PRO CA C 68 62.882 62.302 0.580 1
1 780 . 4 1 1 A 68 68 PRO CB C 68 32.175 29.785 2.390 1
1 783 . 4 1 1 A 69 69 ASP H H 69 8.502 8.274 0.228 1
1 784 . 4 1 1 A 69 69 ASP HA H 69 4.836 5.292 -0.456 1
1 787 . 4 1 1 A 69 69 ASP CA C 69 51.945 50.863 1.082 1
1 788 . 4 1 1 A 69 69 ASP CB C 69 41.305 41.611 -0.306 1
1 789 . 4 1 1 A 69 69 ASP N N 69 121.937 123.585 -1.648 1
1 790 . 4 1 1 A 70 70 PRO HA H 70 4.437 4.552 -0.115 1
1 797 . 4 1 1 A 70 70 PRO C C 70 177.484 176.449 1.035 1
1 798 . 4 1 1 A 70 70 PRO CA C 70 63.777 62.704 1.073 1
1 799 . 4 1 1 A 70 70 PRO CB C 70 32.027 31.979 0.048 1
1 802 . 4 1 1 A 71 71 SER H H 71 8.506 8.790 -0.284 1
1 803 . 4 1 1 A 71 71 SER HA H 71 4.364 4.609 -0.245 1
1 806 . 4 1 1 A 71 71 SER C C 71 175.439 173.969 1.470 1
1 807 . 4 1 1 A 71 71 SER CA C 71 59.261 59.117 0.144 1
1 808 . 4 1 1 A 71 71 SER CB C 71 63.771 65.499 -1.728 1
1 809 . 4 1 1 A 71 71 SER N N 71 115.901 118.280 -2.379 1
1 810 . 4 1 1 A 72 72 GLY H H 72 8.258 7.928 0.330 1
1 811 . 4 1 1 A 72 72 GLY HA2 H 72 3.958 3.957 0.001 1
1 812 . 4 1 1 A 72 72 GLY HA3 H 72 3.958 3.957 0.001 1
1 813 . 4 1 1 A 72 72 GLY C C 72 174.314 174.978 -0.664 1
1 814 . 4 1 1 A 72 72 GLY CA C 72 45.469 46.593 -1.124 1
1 815 . 4 1 1 A 72 72 GLY N N 72 110.595 107.819 2.776 1
1 816 . 4 1 1 A 73 73 LYS H H 73 8.052 8.124 -0.072 1
1 817 . 4 1 1 A 73 73 LYS HA H 73 4.305 4.598 -0.293 1
1 826 . 4 1 1 A 73 73 LYS C C 73 176.792 176.731 0.061 1
1 827 . 4 1 1 A 73 73 LYS CA C 73 56.420 55.451 0.969 1
1 828 . 4 1 1 A 73 73 LYS CB C 73 33.082 31.982 1.100 1
1 832 . 4 1 1 A 73 73 LYS N N 73 120.614 120.511 0.103 1
1 833 . 4 1 1 A 74 74 GLU H H 74 8.559 7.767 0.792 1
1 834 . 4 1 1 A 74 74 GLU HA H 74 4.305 4.593 -0.288 1
1 839 . 4 1 1 A 74 74 GLU C C 74 176.648 176.091 0.557 1
1 840 . 4 1 1 A 74 74 GLU CA C 74 56.446 55.816 0.630 1
1 841 . 4 1 1 A 74 74 GLU CB C 74 30.215 29.454 0.761 1
1 843 . 4 1 1 A 74 74 GLU N N 74 122.000 119.408 2.592 1
1 844 . 4 1 1 A 75 75 SER H H 75 8.364 8.763 -0.399 1
1 845 . 4 1 1 A 75 75 SER HA H 75 4.450 4.407 0.043 1
1 846 . 4 1 1 A 75 75 SER C C 75 174.540 174.588 -0.048 1
1 847 . 4 1 1 A 75 75 SER CA C 75 58.538 62.072 -3.534 1
1 848 . 4 1 1 A 75 75 SER CB C 75 63.977 63.673 0.304 1
1 849 . 4 1 1 A 75 75 SER N N 75 116.992 120.953 -3.961 1
1 850 . 4 1 1 A 76 76 GLY H H 76 8.243 7.705 0.538 1
1 851 . 4 1 1 A 76 76 GLY HA2 H 76 4.157 4.064 0.093 1
1 852 . 4 1 1 A 76 76 GLY HA3 H 76 4.058 4.064 -0.006 1
1 853 . 4 1 1 A 76 76 GLY CA C 76 44.680 44.237 0.443 1
1 854 . 4 1 1 A 76 76 GLY N N 76 110.704 108.825 1.879 1
1 855 . 4 1 1 A 77 77 PRO HA H 77 4.463 4.466 -0.003 1
1 862 . 4 1 1 A 77 77 PRO C C 77 177.454 177.081 0.373 1
1 863 . 4 1 1 A 77 77 PRO CA C 77 63.202 62.784 0.418 1
1 864 . 4 1 1 A 77 77 PRO CB C 77 32.276 30.255 2.021 1
1 867 . 4 1 1 A 78 78 SER H H 78 8.535 8.281 0.254 1
1 870 . 4 1 1 A 78 78 SER C C 78 174.735 173.045 1.690 1
1 871 . 4 1 1 A 78 78 SER CA C 78 58.373 59.046 -0.673 1
1 872 . 4 1 1 A 78 78 SER CB C 78 63.977 61.716 2.261 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.494 4.182 0.312 1
1 2 . 5 1 1 A 6 6 SER CA C 6 58.785 59.876 -1.091 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.483 63.816 -0.333 1
1 4 . 5 1 1 A 7 7 GLY H H 7 8.367 8.773 -0.406 1
1 5 . 5 1 1 A 7 7 GLY HA2 H 7 3.955 4.044 -0.089 1
1 6 . 5 1 1 A 7 7 GLY HA3 H 7 3.955 4.046 -0.091 1
1 7 . 5 1 1 A 7 7 GLY C C 7 173.640 173.840 -0.200 1
1 8 . 5 1 1 A 7 7 GLY CA C 7 45.215 45.364 -0.149 1
1 9 . 5 1 1 A 7 7 GLY N N 7 110.787 113.132 -2.345 1
1 10 . 5 1 1 A 8 8 ALA H H 8 8.126 7.808 0.318 1
1 11 . 5 1 1 A 8 8 ALA HA H 8 4.458 4.774 -0.316 1
1 15 . 5 1 1 A 8 8 ALA C C 8 177.711 175.557 2.154 1
1 16 . 5 1 1 A 8 8 ALA CA C 8 52.493 50.735 1.758 1
1 17 . 5 1 1 A 8 8 ALA CB C 8 19.761 22.898 -3.137 1
1 18 . 5 1 1 A 8 8 ALA N N 8 123.680 122.402 1.278 1
1 19 . 5 1 1 A 9 9 THR H H 9 8.254 8.860 -0.606 1
1 20 . 5 1 1 A 9 9 THR HA H 9 4.527 4.919 -0.392 1
1 25 . 5 1 1 A 9 9 THR C C 9 174.050 173.734 0.316 1
1 26 . 5 1 1 A 9 9 THR CA C 9 61.874 61.382 0.492 1
1 27 . 5 1 1 A 9 9 THR CB C 9 70.580 70.639 -0.059 1
1 29 . 5 1 1 A 9 9 THR N N 9 113.196 115.302 -2.106 1
1 30 . 5 1 1 A 10 10 SER H H 10 8.264 9.000 -0.736 1
1 31 . 5 1 1 A 10 10 SER HA H 10 5.228 5.346 -0.118 1
1 34 . 5 1 1 A 10 10 SER C C 10 173.318 173.893 -0.575 1
1 35 . 5 1 1 A 10 10 SER CA C 10 58.404 57.463 0.941 1
1 36 . 5 1 1 A 10 10 SER CB C 10 64.098 64.462 -0.364 1
1 37 . 5 1 1 A 10 10 SER N N 10 120.509 121.348 -0.839 1
1 38 . 5 1 1 A 11 11 TYR H H 11 8.957 9.108 -0.151 1
1 39 . 5 1 1 A 11 11 TYR HA H 11 4.793 5.163 -0.370 1
1 46 . 5 1 1 A 11 11 TYR C C 11 174.111 174.961 -0.850 1
1 47 . 5 1 1 A 11 11 TYR CA C 11 57.097 56.615 0.482 1
1 48 . 5 1 1 A 11 11 TYR CB C 11 43.764 42.598 1.166 1
1 53 . 5 1 1 A 11 11 TYR N N 11 124.069 122.268 1.801 1
1 54 . 5 1 1 A 12 12 MET H H 12 8.985 9.186 -0.201 1
1 55 . 5 1 1 A 12 12 MET HA H 12 5.463 5.220 0.243 1
1 63 . 5 1 1 A 12 12 MET C C 12 177.045 175.847 1.198 1
1 64 . 5 1 1 A 12 12 MET CA C 12 52.215 54.144 -1.929 1
1 65 . 5 1 1 A 12 12 MET CB C 12 33.195 34.819 -1.624 1
1 68 . 5 1 1 A 12 12 MET N N 12 118.428 120.045 -1.617 1
1 69 . 5 1 1 A 13 13 THR H H 13 9.132 8.748 0.384 1
1 70 . 5 1 1 A 13 13 THR HA H 13 4.872 4.481 0.391 1
1 75 . 5 1 1 A 13 13 THR C C 13 177.032 174.670 2.362 1
1 76 . 5 1 1 A 13 13 THR CA C 13 60.003 62.134 -2.131 1
1 77 . 5 1 1 A 13 13 THR CB C 13 69.597 69.723 -0.126 1
1 79 . 5 1 1 A 13 13 THR N N 13 113.981 116.336 -2.355 1
1 80 . 5 1 1 A 14 14 CYS H H 14 9.504 8.803 0.701 1
1 81 . 5 1 1 A 14 14 CYS HA H 14 4.806 4.493 0.313 1
1 84 . 5 1 1 A 14 14 CYS C C 14 173.712 174.190 -0.478 1
1 85 . 5 1 1 A 14 14 CYS CA C 14 57.209 59.752 -2.543 1
1 86 . 5 1 1 A 14 14 CYS CB C 14 28.772 28.960 -0.188 1
1 87 . 5 1 1 A 14 14 CYS N N 14 122.485 121.335 1.150 1
1 88 . 5 1 1 A 15 15 SER H H 15 7.796 7.785 0.011 1
1 89 . 5 1 1 A 15 15 SER HA H 15 4.578 4.689 -0.111 1
1 92 . 5 1 1 A 15 15 SER C C 15 171.037 172.631 -1.594 1
1 93 . 5 1 1 A 15 15 SER CA C 15 56.858 57.313 -0.455 1
1 94 . 5 1 1 A 15 15 SER CB C 15 66.124 65.164 0.960 1
1 95 . 5 1 1 A 15 15 SER N N 15 116.311 113.870 2.441 1
1 96 . 5 1 1 A 16 16 ALA H H 16 8.398 8.504 -0.106 1
1 97 . 5 1 1 A 16 16 ALA HA H 16 4.582 4.912 -0.330 1
1 101 . 5 1 1 A 16 16 ALA C C 16 176.897 176.206 0.691 1
1 102 . 5 1 1 A 16 16 ALA CA C 16 52.085 51.259 0.826 1
1 103 . 5 1 1 A 16 16 ALA CB C 16 19.720 19.936 -0.216 1
1 104 . 5 1 1 A 16 16 ALA N N 16 124.071 126.137 -2.066 1
1 105 . 5 1 1 A 17 17 TYR H H 17 8.401 8.176 0.225 1
1 106 . 5 1 1 A 17 17 TYR HA H 17 4.384 4.920 -0.536 1
1 113 . 5 1 1 A 17 17 TYR C C 17 173.836 173.955 -0.119 1
1 114 . 5 1 1 A 17 17 TYR CA C 17 57.801 57.317 0.484 1
1 115 . 5 1 1 A 17 17 TYR CB C 17 42.166 40.536 1.630 1
1 120 . 5 1 1 A 17 17 TYR N N 17 121.997 125.780 -3.783 1
1 121 . 5 1 1 A 18 18 GLN H H 18 6.844 7.766 -0.922 1
1 122 . 5 1 1 A 18 18 GLN HA H 18 4.318 4.800 -0.482 1
1 129 . 5 1 1 A 18 18 GLN C C 18 172.990 175.085 -2.095 1
1 130 . 5 1 1 A 18 18 GLN CA C 18 52.767 53.263 -0.496 1
1 131 . 5 1 1 A 18 18 GLN CB C 18 29.940 32.042 -2.102 1
1 133 . 5 1 1 A 18 18 GLN N N 18 127.603 125.949 1.654 1
1 135 . 5 1 1 A 19 19 LYS H H 19 8.155 8.393 -0.238 1
1 136 . 5 1 1 A 19 19 LYS HA H 19 4.130 4.833 -0.703 1
1 145 . 5 1 1 A 19 19 LYS C C 19 175.995 176.181 -0.186 1
1 146 . 5 1 1 A 19 19 LYS CA C 19 56.489 55.739 0.750 1
1 147 . 5 1 1 A 19 19 LYS CB C 19 33.369 33.639 -0.270 1
1 151 . 5 1 1 A 19 19 LYS N N 19 123.114 122.945 0.169 1
1 152 . 5 1 1 A 20 20 VAL H H 20 8.679 8.830 -0.151 1
1 153 . 5 1 1 A 20 20 VAL HA H 20 4.153 4.138 0.015 1
1 161 . 5 1 1 A 20 20 VAL C C 20 176.493 175.724 0.769 1
1 162 . 5 1 1 A 20 20 VAL CA C 20 62.520 63.419 -0.899 1
1 163 . 5 1 1 A 20 20 VAL CB C 20 32.847 33.115 -0.268 1
1 166 . 5 1 1 A 20 20 VAL N N 20 120.106 121.299 -1.193 1
1 167 . 5 1 1 A 21 21 GLN H H 21 7.133 7.660 -0.527 1
1 168 . 5 1 1 A 21 21 GLN HA H 21 4.582 4.732 -0.150 1
1 175 . 5 1 1 A 21 21 GLN C C 21 177.019 175.649 1.370 1
1 176 . 5 1 1 A 21 21 GLN CA C 21 54.291 54.405 -0.114 1
1 177 . 5 1 1 A 21 21 GLN CB C 21 31.023 31.785 -0.762 1
1 179 . 5 1 1 A 21 21 GLN N N 21 116.079 119.660 -3.581 1
1 181 . 5 1 1 A 22 22 ASP H H 22 8.858 8.861 -0.003 1
1 182 . 5 1 1 A 22 22 ASP HA H 22 4.318 4.360 -0.042 1
1 185 . 5 1 1 A 22 22 ASP C C 22 176.746 177.924 -1.178 1
1 186 . 5 1 1 A 22 22 ASP CA C 22 57.752 57.139 0.613 1
1 187 . 5 1 1 A 22 22 ASP CB C 22 40.859 40.307 0.552 1
1 188 . 5 1 1 A 22 22 ASP N N 22 120.173 124.424 -4.251 1
1 189 . 5 1 1 A 23 23 SER H H 23 7.860 8.046 -0.186 1
1 190 . 5 1 1 A 23 23 SER HA H 23 4.648 4.337 0.311 1
1 193 . 5 1 1 A 23 23 SER C C 23 175.526 175.285 0.241 1
1 194 . 5 1 1 A 23 23 SER CA C 23 58.597 61.609 -3.012 1
1 195 . 5 1 1 A 23 23 SER CB C 23 62.993 63.310 -0.317 1
1 196 . 5 1 1 A 23 23 SER N N 23 110.013 113.403 -3.390 1
1 197 . 5 1 1 A 24 24 GLU H H 24 7.579 7.858 -0.279 1
1 198 . 5 1 1 A 24 24 GLU HA H 24 5.574 4.659 0.915 1
1 203 . 5 1 1 A 24 24 GLU C C 24 174.394 175.342 -0.948 1
1 204 . 5 1 1 A 24 24 GLU CA C 24 55.633 57.072 -1.439 1
1 205 . 5 1 1 A 24 24 GLU CB C 24 32.848 30.708 2.140 1
1 207 . 5 1 1 A 24 24 GLU N N 24 122.542 119.393 3.149 1
1 208 . 5 1 1 A 25 25 ILE H H 25 7.894 8.845 -0.951 1
1 209 . 5 1 1 A 25 25 ILE HA H 25 4.661 5.006 -0.345 1
1 219 . 5 1 1 A 25 25 ILE C C 25 171.519 174.313 -2.794 1
1 220 . 5 1 1 A 25 25 ILE CA C 25 58.838 59.494 -0.656 1
1 221 . 5 1 1 A 25 25 ILE CB C 25 42.673 42.342 0.331 1
1 225 . 5 1 1 A 25 25 ILE N N 25 117.944 123.166 -5.222 1
1 226 . 5 1 1 A 26 26 SER H H 26 7.535 9.119 -1.584 1
1 227 . 5 1 1 A 26 26 SER HA H 26 4.885 5.198 -0.313 1
1 230 . 5 1 1 A 26 26 SER C C 26 174.052 174.011 0.041 1
1 231 . 5 1 1 A 26 26 SER CA C 26 56.515 57.193 -0.678 1
1 232 . 5 1 1 A 26 26 SER CB C 26 65.131 64.884 0.247 1
1 233 . 5 1 1 A 26 26 SER N N 26 116.426 123.868 -7.442 1
1 234 . 5 1 1 A 27 27 PHE H H 27 8.271 8.326 -0.055 1
1 235 . 5 1 1 A 27 27 PHE HA H 27 4.934 5.288 -0.354 1
1 243 . 5 1 1 A 27 27 PHE C C 27 173.278 173.110 0.168 1
1 244 . 5 1 1 A 27 27 PHE CA C 27 53.758 54.831 -1.073 1
1 245 . 5 1 1 A 27 27 PHE CB C 27 37.379 41.822 -4.443 1
1 251 . 5 1 1 A 27 27 PHE N N 27 116.221 118.689 -2.468 1
1 252 . 5 1 1 A 28 28 PRO HA H 28 4.872 4.662 0.210 1
1 259 . 5 1 1 A 28 28 PRO C C 28 176.165 175.521 0.644 1
1 260 . 5 1 1 A 28 28 PRO CA C 28 61.019 62.516 -1.497 1
1 261 . 5 1 1 A 28 28 PRO CB C 28 32.410 32.907 -0.497 1
1 264 . 5 1 1 A 29 29 ALA H H 29 8.513 8.346 0.167 1
1 265 . 5 1 1 A 29 29 ALA HA H 29 3.822 4.654 -0.832 1
1 269 . 5 1 1 A 29 29 ALA C C 29 178.074 177.970 0.104 1
1 270 . 5 1 1 A 29 29 ALA CA C 29 52.670 52.532 0.138 1
1 271 . 5 1 1 A 29 29 ALA CB C 29 19.721 19.814 -0.093 1
1 272 . 5 1 1 A 29 29 ALA N N 29 120.286 124.073 -3.787 1
1 273 . 5 1 1 A 30 30 GLY H H 30 8.022 8.649 -0.627 1
1 274 . 5 1 1 A 30 30 GLY HA2 H 30 3.956 4.093 -0.137 1
1 275 . 5 1 1 A 30 30 GLY HA3 H 30 3.733 4.099 -0.366 1
1 276 . 5 1 1 A 30 30 GLY C C 30 174.944 173.948 0.996 1
1 277 . 5 1 1 A 30 30 GLY CA C 30 46.739 45.237 1.502 1
1 278 . 5 1 1 A 30 30 GLY N N 30 110.746 111.124 -0.378 1
1 279 . 5 1 1 A 31 31 VAL H H 31 7.736 7.438 0.298 1
1 280 . 5 1 1 A 31 31 VAL HA H 31 4.753 4.885 -0.132 1
1 288 . 5 1 1 A 31 31 VAL C C 31 173.642 173.921 -0.279 1
1 289 . 5 1 1 A 31 31 VAL CA C 31 58.809 59.257 -0.448 1
1 290 . 5 1 1 A 31 31 VAL CB C 31 34.719 35.253 -0.534 1
1 293 . 5 1 1 A 31 31 VAL N N 31 112.109 115.458 -3.349 1
1 294 . 5 1 1 A 32 32 GLU H H 32 8.264 8.903 -0.639 1
1 295 . 5 1 1 A 32 32 GLU HA H 32 5.090 5.274 -0.184 1
1 300 . 5 1 1 A 32 32 GLU C C 32 176.725 175.687 1.038 1
1 301 . 5 1 1 A 32 32 GLU CA C 32 55.713 55.114 0.599 1
1 302 . 5 1 1 A 32 32 GLU CB C 32 31.615 32.393 -0.778 1
1 304 . 5 1 1 A 32 32 GLU N N 32 121.304 122.334 -1.030 1
1 305 . 5 1 1 A 33 33 VAL H H 33 9.136 8.741 0.395 1
1 306 . 5 1 1 A 33 33 VAL HA H 33 5.001 4.995 0.006 1
1 314 . 5 1 1 A 33 33 VAL C C 33 174.395 174.170 0.225 1
1 315 . 5 1 1 A 33 33 VAL CA C 33 58.765 58.712 0.053 1
1 316 . 5 1 1 A 33 33 VAL CB C 33 34.596 35.344 -0.748 1
1 319 . 5 1 1 A 33 33 VAL N N 33 117.728 119.901 -2.173 1
1 320 . 5 1 1 A 34 34 GLN H H 34 8.551 8.316 0.235 1
1 321 . 5 1 1 A 34 34 GLN HA H 34 5.052 5.016 0.036 1
1 328 . 5 1 1 A 34 34 GLN C C 34 175.752 174.843 0.909 1
1 329 . 5 1 1 A 34 34 GLN CA C 34 54.328 54.197 0.131 1
1 330 . 5 1 1 A 34 34 GLN CB C 34 30.760 31.370 -0.610 1
1 332 . 5 1 1 A 34 34 GLN N N 34 119.032 120.748 -1.716 1
1 334 . 5 1 1 A 35 35 VAL H H 35 9.180 8.606 0.574 1
1 335 . 5 1 1 A 35 35 VAL HA H 35 4.144 4.132 0.012 1
1 343 . 5 1 1 A 35 35 VAL C C 35 175.602 175.340 0.262 1
1 344 . 5 1 1 A 35 35 VAL CA C 35 63.035 62.810 0.225 1
1 345 . 5 1 1 A 35 35 VAL CB C 35 32.056 30.831 1.225 1
1 348 . 5 1 1 A 35 35 VAL N N 35 124.135 124.433 -0.298 1
1 349 . 5 1 1 A 36 36 LEU H H 36 9.175 8.580 0.595 1
1 350 . 5 1 1 A 36 36 LEU HA H 36 4.429 4.058 0.371 1
1 360 . 5 1 1 A 36 36 LEU C C 36 177.299 176.551 0.748 1
1 361 . 5 1 1 A 36 36 LEU CA C 36 55.785 56.855 -1.070 1
1 362 . 5 1 1 A 36 36 LEU CB C 36 42.924 42.174 0.750 1
1 366 . 5 1 1 A 36 36 LEU N N 36 129.320 129.636 -0.316 1
1 367 . 5 1 1 A 37 37 GLU H H 37 7.569 7.296 0.273 1
1 368 . 5 1 1 A 37 37 GLU HA H 37 4.414 4.776 -0.362 1
1 373 . 5 1 1 A 37 37 GLU C C 37 174.132 174.193 -0.061 1
1 374 . 5 1 1 A 37 37 GLU CA C 37 56.244 55.259 0.985 1
1 375 . 5 1 1 A 37 37 GLU CB C 37 33.236 33.182 0.054 1
1 377 . 5 1 1 A 37 37 GLU N N 37 116.925 115.345 1.580 1
1 378 . 5 1 1 A 38 38 LYS H H 38 8.693 8.488 0.205 1
1 379 . 5 1 1 A 38 38 LYS HA H 38 4.181 5.219 -1.038 1
1 388 . 5 1 1 A 38 38 LYS C C 38 175.877 175.137 0.740 1
1 389 . 5 1 1 A 38 38 LYS CA C 38 55.579 54.791 0.788 1
1 390 . 5 1 1 A 38 38 LYS CB C 38 34.965 36.292 -1.327 1
1 394 . 5 1 1 A 38 38 LYS N N 38 124.828 122.392 2.436 1
1 395 . 5 1 1 A 39 39 GLN H H 39 7.682 9.134 -1.452 1
1 396 . 5 1 1 A 39 39 GLN HA H 39 4.896 4.941 -0.045 1
1 403 . 5 1 1 A 39 39 GLN C C 39 177.964 176.269 1.695 1
1 404 . 5 1 1 A 39 39 GLN CA C 39 55.324 54.217 1.107 1
1 405 . 5 1 1 A 39 39 GLN CB C 39 31.670 31.140 0.530 1
1 407 . 5 1 1 A 39 39 GLN N N 39 119.391 121.623 -2.232 1
1 409 . 5 1 1 A 40 40 GLU HA H 40 4.308 4.032 0.276 1
1 414 . 5 1 1 A 40 40 GLU C C 40 176.777 178.412 -1.635 1
1 415 . 5 1 1 A 40 40 GLU CA C 40 58.541 60.480 -1.939 1
1 416 . 5 1 1 A 40 40 GLU CB C 40 29.363 29.746 -0.383 1
1 418 . 5 1 1 A 41 41 SER H H 41 7.986 8.098 -0.112 1
1 419 . 5 1 1 A 41 41 SER HA H 41 4.413 4.265 0.148 1
1 422 . 5 1 1 A 41 41 SER C C 41 175.434 174.562 0.872 1
1 423 . 5 1 1 A 41 41 SER CA C 41 58.707 62.100 -3.393 1
1 424 . 5 1 1 A 41 41 SER CB C 41 63.871 63.439 0.432 1
1 425 . 5 1 1 A 41 41 SER N N 41 113.216 117.730 -4.514 1
1 426 . 5 1 1 A 42 42 GLY H H 42 8.135 8.034 0.101 1
1 427 . 5 1 1 A 42 42 GLY HA2 H 42 4.347 3.967 0.380 1
1 428 . 5 1 1 A 42 42 GLY HA3 H 42 3.625 4.051 -0.426 1
1 429 . 5 1 1 A 42 42 GLY C C 42 173.338 174.652 -1.314 1
1 430 . 5 1 1 A 42 42 GLY CA C 42 44.998 45.474 -0.476 1
1 431 . 5 1 1 A 42 42 GLY N N 42 108.513 107.555 0.958 1
1 432 . 5 1 1 A 43 43 TRP H H 43 7.820 7.926 -0.106 1
1 433 . 5 1 1 A 43 43 TRP HA H 43 4.942 4.557 0.385 1
1 442 . 5 1 1 A 43 43 TRP C C 43 174.648 176.637 -1.989 1
1 443 . 5 1 1 A 43 43 TRP CA C 43 57.245 58.165 -0.920 1
1 444 . 5 1 1 A 43 43 TRP CB C 43 30.102 29.722 0.380 1
1 450 . 5 1 1 A 43 43 TRP N N 43 122.320 120.533 1.787 1
1 452 . 5 1 1 A 44 44 TRP H H 44 9.769 8.822 0.947 1
1 453 . 5 1 1 A 44 44 TRP HA H 44 5.875 5.659 0.216 1
1 462 . 5 1 1 A 44 44 TRP C C 44 173.703 175.162 -1.459 1
1 463 . 5 1 1 A 44 44 TRP CA C 44 53.298 55.610 -2.312 1
1 464 . 5 1 1 A 44 44 TRP CB C 44 32.961 31.805 1.156 1
1 470 . 5 1 1 A 44 44 TRP N N 44 125.138 123.845 1.293 1
1 472 . 5 1 1 A 45 45 TYR H H 45 9.168 9.034 0.134 1
1 473 . 5 1 1 A 45 45 TYR HA H 45 4.173 4.173 0.000 1
1 480 . 5 1 1 A 45 45 TYR C C 45 175.086 174.515 0.571 1
1 481 . 5 1 1 A 45 45 TYR CA C 45 58.044 56.338 1.706 1
1 482 . 5 1 1 A 45 45 TYR CB C 45 38.792 38.329 0.463 1
1 487 . 5 1 1 A 45 45 TYR N N 45 127.429 124.600 2.829 1
1 488 . 5 1 1 A 46 46 VAL H H 46 8.689 8.622 0.067 1
1 489 . 5 1 1 A 46 46 VAL HA H 46 5.142 5.191 -0.049 1
1 497 . 5 1 1 A 46 46 VAL C C 46 172.384 173.754 -1.370 1
1 498 . 5 1 1 A 46 46 VAL CA C 46 59.010 59.666 -0.656 1
1 499 . 5 1 1 A 46 46 VAL CB C 46 35.502 33.720 1.782 1
1 502 . 5 1 1 A 46 46 VAL N N 46 124.245 122.408 1.837 1
1 503 . 5 1 1 A 47 47 ARG H H 47 9.049 8.391 0.658 1
1 504 . 5 1 1 A 47 47 ARG HA H 47 5.163 5.351 -0.188 1
1 512 . 5 1 1 A 47 47 ARG C C 47 175.057 173.998 1.059 1
1 513 . 5 1 1 A 47 47 ARG CA C 47 54.158 54.102 0.056 1
1 514 . 5 1 1 A 47 47 ARG CB C 47 34.146 33.325 0.821 1
1 517 . 5 1 1 A 47 47 ARG N N 47 120.700 121.925 -1.225 1
1 519 . 5 1 1 A 48 48 PHE H H 48 9.042 9.210 -0.168 1
1 520 . 5 1 1 A 48 48 PHE HA H 48 5.296 4.756 0.540 1
1 528 . 5 1 1 A 48 48 PHE C C 48 175.133 175.625 -0.492 1
1 529 . 5 1 1 A 48 48 PHE CA C 48 54.446 57.001 -2.555 1
1 530 . 5 1 1 A 48 48 PHE CB C 48 40.369 41.435 -1.066 1
1 536 . 5 1 1 A 48 48 PHE N N 48 128.029 128.150 -0.121 1
1 537 . 5 1 1 A 49 49 GLY H H 49 9.103 8.791 0.312 1
1 538 . 5 1 1 A 49 49 GLY HA2 H 49 3.644 3.599 0.045 1
1 539 . 5 1 1 A 49 49 GLY HA3 H 49 3.503 3.682 -0.179 1
1 540 . 5 1 1 A 49 49 GLY C C 49 174.287 174.489 -0.202 1
1 541 . 5 1 1 A 49 49 GLY CA C 49 47.008 47.148 -0.140 1
1 542 . 5 1 1 A 49 49 GLY N N 49 118.890 116.093 2.797 1
1 543 . 5 1 1 A 50 50 GLU H H 50 8.920 8.154 0.766 1
1 544 . 5 1 1 A 50 50 GLU HA H 50 4.333 4.292 0.041 1
1 549 . 5 1 1 A 50 50 GLU C C 50 176.000 174.600 1.400 1
1 550 . 5 1 1 A 50 50 GLU CA C 50 56.080 55.506 0.574 1
1 551 . 5 1 1 A 50 50 GLU CB C 50 30.022 30.343 -0.321 1
1 553 . 5 1 1 A 50 50 GLU N N 50 125.280 125.699 -0.419 1
1 554 . 5 1 1 A 51 51 LEU H H 51 7.792 7.185 0.607 1
1 555 . 5 1 1 A 51 51 LEU HA H 51 4.635 4.850 -0.215 1
1 565 . 5 1 1 A 51 51 LEU C C 51 175.050 174.987 0.063 1
1 566 . 5 1 1 A 51 51 LEU CA C 51 54.074 53.669 0.405 1
1 567 . 5 1 1 A 51 51 LEU CB C 51 44.171 47.309 -3.138 1
1 571 . 5 1 1 A 51 51 LEU N N 51 121.706 120.603 1.103 1
1 572 . 5 1 1 A 52 52 GLU H H 52 8.165 8.718 -0.553 1
1 573 . 5 1 1 A 52 52 GLU HA H 52 5.476 5.153 0.323 1
1 578 . 5 1 1 A 52 52 GLU C C 52 176.062 175.189 0.873 1
1 579 . 5 1 1 A 52 52 GLU CA C 52 53.810 54.659 -0.849 1
1 580 . 5 1 1 A 52 52 GLU CB C 52 33.486 32.343 1.143 1
1 582 . 5 1 1 A 52 52 GLU N N 52 116.700 119.821 -3.121 1
1 583 . 5 1 1 A 53 53 GLY H H 53 8.091 8.582 -0.491 1
1 584 . 5 1 1 A 53 53 GLY HA2 H 53 3.882 4.462 -0.580 1
1 585 . 5 1 1 A 53 53 GLY HA3 H 53 3.730 4.513 -0.783 1
1 586 . 5 1 1 A 53 53 GLY C C 53 170.279 171.690 -1.411 1
1 587 . 5 1 1 A 53 53 GLY CA C 53 45.344 44.161 1.183 1
1 588 . 5 1 1 A 53 53 GLY N N 53 106.613 111.671 -5.058 1
1 589 . 5 1 1 A 54 54 TRP H H 54 8.595 8.964 -0.369 1
1 590 . 5 1 1 A 54 54 TRP HA H 54 5.348 5.620 -0.272 1
1 599 . 5 1 1 A 54 54 TRP C C 54 175.873 176.157 -0.284 1
1 600 . 5 1 1 A 54 54 TRP CA C 54 57.602 57.185 0.417 1
1 601 . 5 1 1 A 54 54 TRP CB C 54 31.176 30.091 1.085 1
1 607 . 5 1 1 A 54 54 TRP N N 54 120.550 120.747 -0.197 1
1 609 . 5 1 1 A 55 55 ALA H H 55 9.993 9.094 0.899 1
1 610 . 5 1 1 A 55 55 ALA HA H 55 4.978 4.553 0.425 1
1 614 . 5 1 1 A 55 55 ALA C C 55 173.642 174.738 -1.096 1
1 615 . 5 1 1 A 55 55 ALA CA C 55 49.335 49.137 0.198 1
1 616 . 5 1 1 A 55 55 ALA CB C 55 22.101 20.957 1.144 1
1 617 . 5 1 1 A 55 55 ALA N N 55 122.386 128.128 -5.742 1
1 618 . 5 1 1 A 56 56 PRO HA H 56 3.586 3.956 -0.370 1
1 625 . 5 1 1 A 56 56 PRO C C 56 178.765 177.037 1.728 1
1 626 . 5 1 1 A 56 56 PRO CA C 56 61.218 62.066 -0.848 1
1 627 . 5 1 1 A 56 56 PRO CB C 56 30.430 31.581 -1.151 1
1 630 . 5 1 1 A 57 57 SER H H 57 8.187 7.428 0.759 1
1 631 . 5 1 1 A 57 57 SER HA H 57 2.721 3.506 -0.785 1
1 634 . 5 1 1 A 57 57 SER C C 57 175.094 175.602 -0.508 1
1 635 . 5 1 1 A 57 57 SER CA C 57 60.865 60.116 0.749 1
1 636 . 5 1 1 A 57 57 SER CB C 57 60.645 62.044 -1.399 1
1 637 . 5 1 1 A 57 57 SER N N 57 120.088 120.440 -0.352 1
1 638 . 5 1 1 A 58 58 HIS H H 58 7.482 7.192 0.290 1
1 639 . 5 1 1 A 58 58 HIS HA H 58 4.433 4.121 0.312 1
1 644 . 5 1 1 A 58 58 HIS C C 58 175.763 177.257 -1.494 1
1 645 . 5 1 1 A 58 58 HIS CA C 58 56.938 59.445 -2.507 1
1 646 . 5 1 1 A 58 58 HIS CB C 58 28.597 29.871 -1.274 1
1 649 . 5 1 1 A 58 58 HIS N N 58 115.490 119.042 -3.552 1
1 650 . 5 1 1 A 59 59 TYR H H 59 7.251 7.749 -0.498 1
1 651 . 5 1 1 A 59 59 TYR HA H 59 4.366 4.342 0.024 1
1 658 . 5 1 1 A 59 59 TYR C C 59 173.874 176.060 -2.186 1
1 659 . 5 1 1 A 59 59 TYR CA C 59 58.862 59.942 -1.080 1
1 660 . 5 1 1 A 59 59 TYR CB C 59 36.586 39.432 -2.846 1
1 665 . 5 1 1 A 59 59 TYR N N 59 120.460 116.294 4.166 1
1 666 . 5 1 1 A 60 60 LEU H H 60 7.574 7.257 0.317 1
1 667 . 5 1 1 A 60 60 LEU HA H 60 4.964 4.313 0.651 1
1 677 . 5 1 1 A 60 60 LEU C C 60 175.663 176.698 -1.035 1
1 678 . 5 1 1 A 60 60 LEU CA C 60 53.709 54.499 -0.790 1
1 679 . 5 1 1 A 60 60 LEU CB C 60 42.879 42.807 0.072 1
1 683 . 5 1 1 A 60 60 LEU N N 60 121.690 119.861 1.829 1
1 684 . 5 1 1 A 61 61 VAL H H 61 9.082 8.635 0.447 1
1 685 . 5 1 1 A 61 61 VAL HA H 61 4.309 4.889 -0.580 1
1 693 . 5 1 1 A 61 61 VAL C C 61 174.803 175.128 -0.325 1
1 694 . 5 1 1 A 61 61 VAL CA C 61 61.381 61.091 0.290 1
1 695 . 5 1 1 A 61 61 VAL CB C 61 33.607 33.344 0.263 1
1 698 . 5 1 1 A 61 61 VAL N N 61 119.010 120.515 -1.505 1
1 699 . 5 1 1 A 62 62 LEU H H 62 8.307 8.779 -0.472 1
1 700 . 5 1 1 A 62 62 LEU HA H 62 4.288 4.899 -0.611 1
1 710 . 5 1 1 A 62 62 LEU C C 62 176.976 176.312 0.664 1
1 711 . 5 1 1 A 62 62 LEU CA C 62 54.807 53.935 0.872 1
1 712 . 5 1 1 A 62 62 LEU CB C 62 42.932 41.524 1.408 1
1 716 . 5 1 1 A 62 62 LEU N N 62 127.895 127.656 0.239 1
1 717 . 5 1 1 A 63 63 ASP H H 63 8.475 9.096 -0.621 1
1 718 . 5 1 1 A 63 63 ASP HA H 63 4.595 4.253 0.342 1
1 721 . 5 1 1 A 63 63 ASP C C 63 176.269 175.895 0.374 1
1 722 . 5 1 1 A 63 63 ASP CA C 63 53.903 55.305 -1.402 1
1 723 . 5 1 1 A 63 63 ASP CB C 63 41.618 38.815 2.803 1
1 724 . 5 1 1 A 63 63 ASP N N 63 122.904 125.604 -2.700 1
1 725 . 5 1 1 A 64 64 GLU H H 64 8.528 8.057 0.471 1
1 726 . 5 1 1 A 64 64 GLU HA H 64 4.220 4.137 0.083 1
1 731 . 5 1 1 A 64 64 GLU C C 64 176.504 176.369 0.135 1
1 732 . 5 1 1 A 64 64 GLU CA C 64 57.043 58.675 -1.632 1
1 733 . 5 1 1 A 64 64 GLU CB C 64 30.214 30.891 -0.677 1
1 735 . 5 1 1 A 64 64 GLU N N 64 122.471 118.244 4.227 1
1 736 . 5 1 1 A 65 65 ASN H H 65 8.523 7.751 0.772 1
1 737 . 5 1 1 A 65 65 ASN HA H 65 4.661 5.230 -0.569 1
1 742 . 5 1 1 A 65 65 ASN C C 65 175.223 174.196 1.027 1
1 743 . 5 1 1 A 65 65 ASN CA C 65 53.674 51.556 2.118 1
1 744 . 5 1 1 A 65 65 ASN CB C 65 39.088 40.693 -1.605 1
1 745 . 5 1 1 A 65 65 ASN N N 65 118.895 114.089 4.806 1
1 747 . 5 1 1 A 66 66 GLU H H 66 8.222 8.604 -0.382 1
1 748 . 5 1 1 A 66 66 GLU HA H 66 4.293 4.467 -0.174 1
1 753 . 5 1 1 A 66 66 GLU C C 66 176.054 176.646 -0.592 1
1 754 . 5 1 1 A 66 66 GLU CA C 66 56.432 56.343 0.089 1
1 755 . 5 1 1 A 66 66 GLU CB C 66 30.476 30.116 0.360 1
1 757 . 5 1 1 A 66 66 GLU N N 66 120.919 124.160 -3.241 1
1 758 . 5 1 1 A 67 67 GLN H H 67 8.293 8.375 -0.082 1
1 759 . 5 1 1 A 67 67 GLN HA H 67 4.582 4.225 0.357 1
1 766 . 5 1 1 A 67 67 GLN C C 67 173.836 174.334 -0.498 1
1 767 . 5 1 1 A 67 67 GLN CA C 67 53.593 54.850 -1.257 1
1 768 . 5 1 1 A 67 67 GLN CB C 67 28.949 28.387 0.562 1
1 770 . 5 1 1 A 67 67 GLN N N 67 122.295 124.990 -2.695 1
1 772 . 5 1 1 A 68 68 PRO HA H 68 4.401 4.590 -0.189 1
1 779 . 5 1 1 A 68 68 PRO CA C 68 62.882 62.501 0.381 1
1 780 . 5 1 1 A 68 68 PRO CB C 68 32.175 32.888 -0.713 1
1 783 . 5 1 1 A 69 69 ASP H H 69 8.502 8.486 0.016 1
1 784 . 5 1 1 A 69 69 ASP HA H 69 4.836 5.176 -0.340 1
1 787 . 5 1 1 A 69 69 ASP CA C 69 51.945 51.676 0.269 1
1 788 . 5 1 1 A 69 69 ASP CB C 69 41.305 41.467 -0.162 1
1 789 . 5 1 1 A 69 69 ASP N N 69 121.937 120.733 1.204 1
1 790 . 5 1 1 A 70 70 PRO HA H 70 4.437 4.757 -0.320 1
1 797 . 5 1 1 A 70 70 PRO C C 70 177.484 175.322 2.162 1
1 798 . 5 1 1 A 70 70 PRO CA C 70 63.777 62.787 0.990 1
1 799 . 5 1 1 A 70 70 PRO CB C 70 32.027 33.436 -1.409 1
1 802 . 5 1 1 A 71 71 SER H H 71 8.506 8.595 -0.089 1
1 803 . 5 1 1 A 71 71 SER HA H 71 4.364 4.910 -0.546 1
1 806 . 5 1 1 A 71 71 SER C C 71 175.439 173.770 1.669 1
1 807 . 5 1 1 A 71 71 SER CA C 71 59.261 57.570 1.691 1
1 808 . 5 1 1 A 71 71 SER CB C 71 63.771 67.667 -3.896 1
1 809 . 5 1 1 A 71 71 SER N N 71 115.901 115.033 0.868 1
1 810 . 5 1 1 A 72 72 GLY H H 72 8.258 8.523 -0.265 1
1 811 . 5 1 1 A 72 72 GLY HA2 H 72 3.958 3.937 0.021 1
1 812 . 5 1 1 A 72 72 GLY HA3 H 72 3.958 3.937 0.021 1
1 813 . 5 1 1 A 72 72 GLY C C 72 174.314 174.605 -0.291 1
1 814 . 5 1 1 A 72 72 GLY CA C 72 45.469 46.610 -1.141 1
1 815 . 5 1 1 A 72 72 GLY N N 72 110.595 111.225 -0.630 1
1 816 . 5 1 1 A 73 73 LYS H H 73 8.052 7.793 0.259 1
1 817 . 5 1 1 A 73 73 LYS HA H 73 4.305 4.746 -0.441 1
1 826 . 5 1 1 A 73 73 LYS C C 73 176.792 175.338 1.454 1
1 827 . 5 1 1 A 73 73 LYS CA C 73 56.420 54.491 1.929 1
1 828 . 5 1 1 A 73 73 LYS CB C 73 33.082 35.177 -2.095 1
1 832 . 5 1 1 A 73 73 LYS N N 73 120.614 119.501 1.113 1
1 833 . 5 1 1 A 74 74 GLU H H 74 8.559 8.887 -0.328 1
1 834 . 5 1 1 A 74 74 GLU HA H 74 4.305 5.011 -0.706 1
1 839 . 5 1 1 A 74 74 GLU C C 74 176.648 175.734 0.914 1
1 840 . 5 1 1 A 74 74 GLU CA C 74 56.446 54.530 1.916 1
1 841 . 5 1 1 A 74 74 GLU CB C 74 30.215 33.404 -3.189 1
1 843 . 5 1 1 A 74 74 GLU N N 74 122.000 122.520 -0.520 1
1 844 . 5 1 1 A 75 75 SER H H 75 8.364 8.484 -0.120 1
1 845 . 5 1 1 A 75 75 SER HA H 75 4.450 4.563 -0.113 1
1 846 . 5 1 1 A 75 75 SER C C 75 174.540 175.228 -0.688 1
1 847 . 5 1 1 A 75 75 SER CA C 75 58.538 58.985 -0.447 1
1 848 . 5 1 1 A 75 75 SER CB C 75 63.977 64.081 -0.104 1
1 849 . 5 1 1 A 75 75 SER N N 75 116.992 115.269 1.723 1
1 850 . 5 1 1 A 76 76 GLY H H 76 8.243 8.125 0.118 1
1 851 . 5 1 1 A 76 76 GLY HA2 H 76 4.157 3.936 0.221 1
1 852 . 5 1 1 A 76 76 GLY HA3 H 76 4.058 3.936 0.122 1
1 853 . 5 1 1 A 76 76 GLY CA C 76 44.680 46.693 -2.013 1
1 854 . 5 1 1 A 76 76 GLY N N 76 110.704 109.967 0.737 1
1 855 . 5 1 1 A 77 77 PRO HA H 77 4.463 4.586 -0.123 1
1 862 . 5 1 1 A 77 77 PRO C C 77 177.454 175.745 1.709 1
1 863 . 5 1 1 A 77 77 PRO CA C 77 63.202 62.658 0.544 1
1 864 . 5 1 1 A 77 77 PRO CB C 77 32.276 32.795 -0.519 1
1 867 . 5 1 1 A 78 78 SER H H 78 8.535 8.511 0.024 1
1 870 . 5 1 1 A 78 78 SER C C 78 174.735 173.375 1.360 1
1 871 . 5 1 1 A 78 78 SER CA C 78 58.373 55.932 2.441 1
1 872 . 5 1 1 A 78 78 SER CB C 78 63.977 65.557 -1.580 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.494 4.173 0.321 1
1 2 . 6 1 1 A 6 6 SER CA C 6 58.785 61.212 -2.427 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.483 63.467 0.016 1
1 4 . 6 1 1 A 7 7 GLY H H 7 8.367 7.660 0.707 1
1 5 . 6 1 1 A 7 7 GLY HA2 H 7 3.955 4.111 -0.156 1
1 6 . 6 1 1 A 7 7 GLY HA3 H 7 3.955 4.113 -0.158 1
1 7 . 6 1 1 A 7 7 GLY C C 7 173.640 172.678 0.962 1
1 8 . 6 1 1 A 7 7 GLY CA C 7 45.215 44.240 0.975 1
1 9 . 6 1 1 A 7 7 GLY N N 7 110.787 106.689 4.098 1
1 10 . 6 1 1 A 8 8 ALA H H 8 8.126 8.060 0.066 1
1 11 . 6 1 1 A 8 8 ALA HA H 8 4.458 4.703 -0.245 1
1 15 . 6 1 1 A 8 8 ALA C C 8 177.711 176.273 1.438 1
1 16 . 6 1 1 A 8 8 ALA CA C 8 52.493 51.120 1.373 1
1 17 . 6 1 1 A 8 8 ALA CB C 8 19.761 21.090 -1.329 1
1 18 . 6 1 1 A 8 8 ALA N N 8 123.680 124.445 -0.765 1
1 19 . 6 1 1 A 9 9 THR H H 9 8.254 8.749 -0.495 1
1 20 . 6 1 1 A 9 9 THR HA H 9 4.527 5.008 -0.481 1
1 25 . 6 1 1 A 9 9 THR C C 9 174.050 173.856 0.194 1
1 26 . 6 1 1 A 9 9 THR CA C 9 61.874 61.322 0.552 1
1 27 . 6 1 1 A 9 9 THR CB C 9 70.580 71.173 -0.593 1
1 29 . 6 1 1 A 9 9 THR N N 9 113.196 114.487 -1.291 1
1 30 . 6 1 1 A 10 10 SER H H 10 8.264 8.944 -0.680 1
1 31 . 6 1 1 A 10 10 SER HA H 10 5.228 5.509 -0.281 1
1 34 . 6 1 1 A 10 10 SER C C 10 173.318 173.559 -0.241 1
1 35 . 6 1 1 A 10 10 SER CA C 10 58.404 57.219 1.185 1
1 36 . 6 1 1 A 10 10 SER CB C 10 64.098 64.749 -0.651 1
1 37 . 6 1 1 A 10 10 SER N N 10 120.509 120.494 0.015 1
1 38 . 6 1 1 A 11 11 TYR H H 11 8.957 9.357 -0.400 1
1 39 . 6 1 1 A 11 11 TYR HA H 11 4.793 5.237 -0.444 1
1 46 . 6 1 1 A 11 11 TYR C C 11 174.111 174.114 -0.003 1
1 47 . 6 1 1 A 11 11 TYR CA C 11 57.097 56.468 0.629 1
1 48 . 6 1 1 A 11 11 TYR CB C 11 43.764 42.777 0.987 1
1 53 . 6 1 1 A 11 11 TYR N N 11 124.069 121.350 2.719 1
1 54 . 6 1 1 A 12 12 MET H H 12 8.985 8.785 0.200 1
1 55 . 6 1 1 A 12 12 MET HA H 12 5.463 5.191 0.272 1
1 63 . 6 1 1 A 12 12 MET C C 12 177.045 175.065 1.980 1
1 64 . 6 1 1 A 12 12 MET CA C 12 52.215 53.966 -1.751 1
1 65 . 6 1 1 A 12 12 MET CB C 12 33.195 35.912 -2.717 1
1 68 . 6 1 1 A 12 12 MET N N 12 118.428 120.543 -2.115 1
1 69 . 6 1 1 A 13 13 THR H H 13 9.132 8.675 0.457 1
1 70 . 6 1 1 A 13 13 THR HA H 13 4.872 4.640 0.232 1
1 75 . 6 1 1 A 13 13 THR C C 13 177.032 174.420 2.612 1
1 76 . 6 1 1 A 13 13 THR CA C 13 60.003 61.185 -1.182 1
1 77 . 6 1 1 A 13 13 THR CB C 13 69.597 69.611 -0.014 1
1 79 . 6 1 1 A 13 13 THR N N 13 113.981 115.760 -1.779 1
1 80 . 6 1 1 A 14 14 CYS H H 14 9.504 8.523 0.981 1
1 81 . 6 1 1 A 14 14 CYS HA H 14 4.806 4.497 0.309 1
1 84 . 6 1 1 A 14 14 CYS C C 14 173.712 173.994 -0.282 1
1 85 . 6 1 1 A 14 14 CYS CA C 14 57.209 59.736 -2.527 1
1 86 . 6 1 1 A 14 14 CYS CB C 14 28.772 28.871 -0.099 1
1 87 . 6 1 1 A 14 14 CYS N N 14 122.485 123.270 -0.785 1
1 88 . 6 1 1 A 15 15 SER H H 15 7.796 7.746 0.050 1
1 89 . 6 1 1 A 15 15 SER HA H 15 4.578 4.833 -0.255 1
1 92 . 6 1 1 A 15 15 SER C C 15 171.037 172.372 -1.335 1
1 93 . 6 1 1 A 15 15 SER CA C 15 56.858 57.892 -1.034 1
1 94 . 6 1 1 A 15 15 SER CB C 15 66.124 67.094 -0.970 1
1 95 . 6 1 1 A 15 15 SER N N 15 116.311 114.194 2.117 1
1 96 . 6 1 1 A 16 16 ALA H H 16 8.398 8.540 -0.142 1
1 97 . 6 1 1 A 16 16 ALA HA H 16 4.582 5.060 -0.478 1
1 101 . 6 1 1 A 16 16 ALA C C 16 176.897 176.000 0.897 1
1 102 . 6 1 1 A 16 16 ALA CA C 16 52.085 51.124 0.961 1
1 103 . 6 1 1 A 16 16 ALA CB C 16 19.720 19.635 0.085 1
1 104 . 6 1 1 A 16 16 ALA N N 16 124.071 125.798 -1.727 1
1 105 . 6 1 1 A 17 17 TYR H H 17 8.401 8.302 0.099 1
1 106 . 6 1 1 A 17 17 TYR HA H 17 4.384 4.952 -0.568 1
1 113 . 6 1 1 A 17 17 TYR C C 17 173.836 174.964 -1.128 1
1 114 . 6 1 1 A 17 17 TYR CA C 17 57.801 57.437 0.364 1
1 115 . 6 1 1 A 17 17 TYR CB C 17 42.166 40.447 1.719 1
1 120 . 6 1 1 A 17 17 TYR N N 17 121.997 126.475 -4.478 1
1 121 . 6 1 1 A 18 18 GLN H H 18 6.844 7.987 -1.143 1
1 122 . 6 1 1 A 18 18 GLN HA H 18 4.318 4.508 -0.190 1
1 129 . 6 1 1 A 18 18 GLN C C 18 172.990 174.267 -1.277 1
1 130 . 6 1 1 A 18 18 GLN CA C 18 52.767 54.733 -1.966 1
1 131 . 6 1 1 A 18 18 GLN CB C 18 29.940 29.806 0.134 1
1 133 . 6 1 1 A 18 18 GLN N N 18 127.603 123.673 3.930 1
1 135 . 6 1 1 A 19 19 LYS H H 19 8.155 8.560 -0.405 1
1 136 . 6 1 1 A 19 19 LYS HA H 19 4.130 4.827 -0.697 1
1 145 . 6 1 1 A 19 19 LYS C C 19 175.995 176.327 -0.332 1
1 146 . 6 1 1 A 19 19 LYS CA C 19 56.489 55.414 1.075 1
1 147 . 6 1 1 A 19 19 LYS CB C 19 33.369 33.544 -0.175 1
1 151 . 6 1 1 A 19 19 LYS N N 19 123.114 119.750 3.364 1
1 152 . 6 1 1 A 20 20 VAL H H 20 8.679 8.647 0.032 1
1 153 . 6 1 1 A 20 20 VAL HA H 20 4.153 4.046 0.107 1
1 161 . 6 1 1 A 20 20 VAL C C 20 176.493 175.641 0.852 1
1 162 . 6 1 1 A 20 20 VAL CA C 20 62.520 63.925 -1.405 1
1 163 . 6 1 1 A 20 20 VAL CB C 20 32.847 32.304 0.543 1
1 166 . 6 1 1 A 20 20 VAL N N 20 120.106 123.174 -3.068 1
1 167 . 6 1 1 A 21 21 GLN H H 21 7.133 7.225 -0.092 1
1 168 . 6 1 1 A 21 21 GLN HA H 21 4.582 4.718 -0.136 1
1 175 . 6 1 1 A 21 21 GLN C C 21 177.019 176.273 0.746 1
1 176 . 6 1 1 A 21 21 GLN CA C 21 54.291 54.391 -0.100 1
1 177 . 6 1 1 A 21 21 GLN CB C 21 31.023 31.506 -0.483 1
1 179 . 6 1 1 A 21 21 GLN N N 21 116.079 118.953 -2.874 1
1 181 . 6 1 1 A 22 22 ASP H H 22 8.858 9.106 -0.248 1
1 182 . 6 1 1 A 22 22 ASP HA H 22 4.318 4.354 -0.036 1
1 185 . 6 1 1 A 22 22 ASP C C 22 176.746 178.473 -1.727 1
1 186 . 6 1 1 A 22 22 ASP CA C 22 57.752 57.419 0.333 1
1 187 . 6 1 1 A 22 22 ASP CB C 22 40.859 40.248 0.611 1
1 188 . 6 1 1 A 22 22 ASP N N 22 120.173 122.839 -2.666 1
1 189 . 6 1 1 A 23 23 SER H H 23 7.860 8.155 -0.295 1
1 190 . 6 1 1 A 23 23 SER HA H 23 4.648 4.313 0.335 1
1 193 . 6 1 1 A 23 23 SER C C 23 175.526 175.479 0.047 1
1 194 . 6 1 1 A 23 23 SER CA C 23 58.597 61.730 -3.133 1
1 195 . 6 1 1 A 23 23 SER CB C 23 62.993 63.243 -0.250 1
1 196 . 6 1 1 A 23 23 SER N N 23 110.013 115.703 -5.690 1
1 197 . 6 1 1 A 24 24 GLU H H 24 7.579 8.159 -0.580 1
1 198 . 6 1 1 A 24 24 GLU HA H 24 5.574 4.700 0.874 1
1 203 . 6 1 1 A 24 24 GLU C C 24 174.394 175.209 -0.815 1
1 204 . 6 1 1 A 24 24 GLU CA C 24 55.633 57.231 -1.598 1
1 205 . 6 1 1 A 24 24 GLU CB C 24 32.848 30.752 2.096 1
1 207 . 6 1 1 A 24 24 GLU N N 24 122.542 119.096 3.446 1
1 208 . 6 1 1 A 25 25 ILE H H 25 7.894 8.803 -0.909 1
1 209 . 6 1 1 A 25 25 ILE HA H 25 4.661 5.082 -0.421 1
1 219 . 6 1 1 A 25 25 ILE C C 25 171.519 174.416 -2.897 1
1 220 . 6 1 1 A 25 25 ILE CA C 25 58.838 59.441 -0.603 1
1 221 . 6 1 1 A 25 25 ILE CB C 25 42.673 42.287 0.386 1
1 225 . 6 1 1 A 25 25 ILE N N 25 117.944 123.151 -5.207 1
1 226 . 6 1 1 A 26 26 SER H H 26 7.535 9.121 -1.586 1
1 227 . 6 1 1 A 26 26 SER HA H 26 4.885 5.533 -0.648 1
1 230 . 6 1 1 A 26 26 SER C C 26 174.052 174.034 0.018 1
1 231 . 6 1 1 A 26 26 SER CA C 26 56.515 57.322 -0.807 1
1 232 . 6 1 1 A 26 26 SER CB C 26 65.131 64.894 0.237 1
1 233 . 6 1 1 A 26 26 SER N N 26 116.426 124.368 -7.942 1
1 234 . 6 1 1 A 27 27 PHE H H 27 8.271 8.038 0.233 1
1 235 . 6 1 1 A 27 27 PHE HA H 27 4.934 5.284 -0.350 1
1 243 . 6 1 1 A 27 27 PHE C C 27 173.278 173.162 0.116 1
1 244 . 6 1 1 A 27 27 PHE CA C 27 53.758 54.913 -1.155 1
1 245 . 6 1 1 A 27 27 PHE CB C 27 37.379 41.922 -4.543 1
1 251 . 6 1 1 A 27 27 PHE N N 27 116.221 118.850 -2.629 1
1 252 . 6 1 1 A 28 28 PRO HA H 28 4.872 4.663 0.209 1
1 259 . 6 1 1 A 28 28 PRO C C 28 176.165 175.512 0.653 1
1 260 . 6 1 1 A 28 28 PRO CA C 28 61.019 62.506 -1.487 1
1 261 . 6 1 1 A 28 28 PRO CB C 28 32.410 32.884 -0.474 1
1 264 . 6 1 1 A 29 29 ALA H H 29 8.513 8.355 0.158 1
1 265 . 6 1 1 A 29 29 ALA HA H 29 3.822 4.626 -0.804 1
1 269 . 6 1 1 A 29 29 ALA C C 29 178.074 178.076 -0.002 1
1 270 . 6 1 1 A 29 29 ALA CA C 29 52.670 52.609 0.061 1
1 271 . 6 1 1 A 29 29 ALA CB C 29 19.721 19.615 0.106 1
1 272 . 6 1 1 A 29 29 ALA N N 29 120.286 124.094 -3.808 1
1 273 . 6 1 1 A 30 30 GLY H H 30 8.022 8.650 -0.628 1
1 274 . 6 1 1 A 30 30 GLY HA2 H 30 3.956 4.037 -0.081 1
1 275 . 6 1 1 A 30 30 GLY HA3 H 30 3.733 4.044 -0.311 1
1 276 . 6 1 1 A 30 30 GLY C C 30 174.944 173.719 1.225 1
1 277 . 6 1 1 A 30 30 GLY CA C 30 46.739 45.298 1.441 1
1 278 . 6 1 1 A 30 30 GLY N N 30 110.746 111.130 -0.384 1
1 279 . 6 1 1 A 31 31 VAL H H 31 7.736 7.483 0.253 1
1 280 . 6 1 1 A 31 31 VAL HA H 31 4.753 4.782 -0.029 1
1 288 . 6 1 1 A 31 31 VAL C C 31 173.642 174.393 -0.751 1
1 289 . 6 1 1 A 31 31 VAL CA C 31 58.809 59.187 -0.378 1
1 290 . 6 1 1 A 31 31 VAL CB C 31 34.719 35.442 -0.723 1
1 293 . 6 1 1 A 31 31 VAL N N 31 112.109 115.192 -3.083 1
1 294 . 6 1 1 A 32 32 GLU H H 32 8.264 8.791 -0.527 1
1 295 . 6 1 1 A 32 32 GLU HA H 32 5.090 4.742 0.348 1
1 300 . 6 1 1 A 32 32 GLU C C 32 176.725 175.893 0.832 1
1 301 . 6 1 1 A 32 32 GLU CA C 32 55.713 56.094 -0.381 1
1 302 . 6 1 1 A 32 32 GLU CB C 32 31.615 30.917 0.698 1
1 304 . 6 1 1 A 32 32 GLU N N 32 121.304 123.848 -2.544 1
1 305 . 6 1 1 A 33 33 VAL H H 33 9.136 8.826 0.310 1
1 306 . 6 1 1 A 33 33 VAL HA H 33 5.001 4.813 0.188 1
1 314 . 6 1 1 A 33 33 VAL C C 33 174.395 174.042 0.353 1
1 315 . 6 1 1 A 33 33 VAL CA C 33 58.765 59.116 -0.351 1
1 316 . 6 1 1 A 33 33 VAL CB C 33 34.596 35.904 -1.308 1
1 319 . 6 1 1 A 33 33 VAL N N 33 117.728 118.737 -1.009 1
1 320 . 6 1 1 A 34 34 GLN H H 34 8.551 8.054 0.497 1
1 321 . 6 1 1 A 34 34 GLN HA H 34 5.052 5.182 -0.130 1
1 328 . 6 1 1 A 34 34 GLN C C 34 175.752 174.853 0.899 1
1 329 . 6 1 1 A 34 34 GLN CA C 34 54.328 54.453 -0.125 1
1 330 . 6 1 1 A 34 34 GLN CB C 34 30.760 31.323 -0.563 1
1 332 . 6 1 1 A 34 34 GLN N N 34 119.032 121.006 -1.974 1
1 334 . 6 1 1 A 35 35 VAL H H 35 9.180 9.032 0.148 1
1 335 . 6 1 1 A 35 35 VAL HA H 35 4.144 4.396 -0.252 1
1 343 . 6 1 1 A 35 35 VAL C C 35 175.602 175.622 -0.020 1
1 344 . 6 1 1 A 35 35 VAL CA C 35 63.035 61.717 1.318 1
1 345 . 6 1 1 A 35 35 VAL CB C 35 32.056 32.690 -0.634 1
1 348 . 6 1 1 A 35 35 VAL N N 35 124.135 122.619 1.516 1
1 349 . 6 1 1 A 36 36 LEU H H 36 9.175 8.550 0.625 1
1 350 . 6 1 1 A 36 36 LEU HA H 36 4.429 4.110 0.319 1
1 360 . 6 1 1 A 36 36 LEU C C 36 177.299 176.702 0.597 1
1 361 . 6 1 1 A 36 36 LEU CA C 36 55.785 57.221 -1.436 1
1 362 . 6 1 1 A 36 36 LEU CB C 36 42.924 42.375 0.549 1
1 366 . 6 1 1 A 36 36 LEU N N 36 129.320 129.542 -0.222 1
1 367 . 6 1 1 A 37 37 GLU H H 37 7.569 7.371 0.198 1
1 368 . 6 1 1 A 37 37 GLU HA H 37 4.414 4.843 -0.429 1
1 373 . 6 1 1 A 37 37 GLU C C 37 174.132 174.153 -0.021 1
1 374 . 6 1 1 A 37 37 GLU CA C 37 56.244 55.153 1.091 1
1 375 . 6 1 1 A 37 37 GLU CB C 37 33.236 33.324 -0.088 1
1 377 . 6 1 1 A 37 37 GLU N N 37 116.925 115.083 1.842 1
1 378 . 6 1 1 A 38 38 LYS H H 38 8.693 8.540 0.153 1
1 379 . 6 1 1 A 38 38 LYS HA H 38 4.181 5.271 -1.090 1
1 388 . 6 1 1 A 38 38 LYS C C 38 175.877 175.360 0.517 1
1 389 . 6 1 1 A 38 38 LYS CA C 38 55.579 54.863 0.716 1
1 390 . 6 1 1 A 38 38 LYS CB C 38 34.965 35.999 -1.034 1
1 394 . 6 1 1 A 38 38 LYS N N 38 124.828 122.401 2.427 1
1 395 . 6 1 1 A 39 39 GLN H H 39 7.682 8.977 -1.295 1
1 396 . 6 1 1 A 39 39 GLN HA H 39 4.896 4.760 0.136 1
1 403 . 6 1 1 A 39 39 GLN C C 39 177.964 176.705 1.259 1
1 404 . 6 1 1 A 39 39 GLN CA C 39 55.324 55.278 0.046 1
1 405 . 6 1 1 A 39 39 GLN CB C 39 31.670 30.467 1.203 1
1 407 . 6 1 1 A 39 39 GLN N N 39 119.391 122.613 -3.222 1
1 409 . 6 1 1 A 40 40 GLU HA H 40 4.308 4.090 0.218 1
1 414 . 6 1 1 A 40 40 GLU C C 40 176.777 178.505 -1.728 1
1 415 . 6 1 1 A 40 40 GLU CA C 40 58.541 59.983 -1.442 1
1 416 . 6 1 1 A 40 40 GLU CB C 40 29.363 29.281 0.082 1
1 418 . 6 1 1 A 41 41 SER H H 41 7.986 8.092 -0.106 1
1 419 . 6 1 1 A 41 41 SER HA H 41 4.413 4.331 0.082 1
1 422 . 6 1 1 A 41 41 SER C C 41 175.434 174.613 0.821 1
1 423 . 6 1 1 A 41 41 SER CA C 41 58.707 62.072 -3.365 1
1 424 . 6 1 1 A 41 41 SER CB C 41 63.871 63.420 0.451 1
1 425 . 6 1 1 A 41 41 SER N N 41 113.216 116.718 -3.502 1
1 426 . 6 1 1 A 42 42 GLY H H 42 8.135 8.075 0.060 1
1 427 . 6 1 1 A 42 42 GLY HA2 H 42 4.347 4.081 0.266 1
1 428 . 6 1 1 A 42 42 GLY HA3 H 42 3.625 4.120 -0.495 1
1 429 . 6 1 1 A 42 42 GLY C C 42 173.338 174.730 -1.392 1
1 430 . 6 1 1 A 42 42 GLY CA C 42 44.998 45.569 -0.571 1
1 431 . 6 1 1 A 42 42 GLY N N 42 108.513 107.632 0.881 1
1 432 . 6 1 1 A 43 43 TRP H H 43 7.820 8.077 -0.257 1
1 433 . 6 1 1 A 43 43 TRP HA H 43 4.942 4.503 0.439 1
1 442 . 6 1 1 A 43 43 TRP C C 43 174.648 176.652 -2.004 1
1 443 . 6 1 1 A 43 43 TRP CA C 43 57.245 57.990 -0.745 1
1 444 . 6 1 1 A 43 43 TRP CB C 43 30.102 30.248 -0.146 1
1 450 . 6 1 1 A 43 43 TRP N N 43 122.320 120.611 1.709 1
1 452 . 6 1 1 A 44 44 TRP H H 44 9.769 9.018 0.751 1
1 453 . 6 1 1 A 44 44 TRP HA H 44 5.875 5.270 0.605 1
1 462 . 6 1 1 A 44 44 TRP C C 44 173.703 175.146 -1.443 1
1 463 . 6 1 1 A 44 44 TRP CA C 44 53.298 54.674 -1.376 1
1 464 . 6 1 1 A 44 44 TRP CB C 44 32.961 32.522 0.439 1
1 470 . 6 1 1 A 44 44 TRP N N 44 125.138 123.326 1.812 1
1 472 . 6 1 1 A 45 45 TYR H H 45 9.168 8.776 0.392 1
1 473 . 6 1 1 A 45 45 TYR HA H 45 4.173 4.043 0.130 1
1 480 . 6 1 1 A 45 45 TYR C C 45 175.086 175.029 0.057 1
1 481 . 6 1 1 A 45 45 TYR CA C 45 58.044 56.729 1.315 1
1 482 . 6 1 1 A 45 45 TYR CB C 45 38.792 37.538 1.254 1
1 487 . 6 1 1 A 45 45 TYR N N 45 127.429 126.050 1.379 1
1 488 . 6 1 1 A 46 46 VAL H H 46 8.689 8.639 0.050 1
1 489 . 6 1 1 A 46 46 VAL HA H 46 5.142 5.225 -0.083 1
1 497 . 6 1 1 A 46 46 VAL C C 46 172.384 173.855 -1.471 1
1 498 . 6 1 1 A 46 46 VAL CA C 46 59.010 59.621 -0.611 1
1 499 . 6 1 1 A 46 46 VAL CB C 46 35.502 33.853 1.649 1
1 502 . 6 1 1 A 46 46 VAL N N 46 124.245 122.264 1.981 1
1 503 . 6 1 1 A 47 47 ARG H H 47 9.049 8.210 0.839 1
1 504 . 6 1 1 A 47 47 ARG HA H 47 5.163 4.981 0.182 1
1 512 . 6 1 1 A 47 47 ARG C C 47 175.057 173.925 1.132 1
1 513 . 6 1 1 A 47 47 ARG CA C 47 54.158 54.526 -0.368 1
1 514 . 6 1 1 A 47 47 ARG CB C 47 34.146 33.782 0.364 1
1 517 . 6 1 1 A 47 47 ARG N N 47 120.700 121.181 -0.481 1
1 519 . 6 1 1 A 48 48 PHE H H 48 9.042 9.184 -0.142 1
1 520 . 6 1 1 A 48 48 PHE HA H 48 5.296 4.754 0.542 1
1 528 . 6 1 1 A 48 48 PHE C C 48 175.133 175.610 -0.477 1
1 529 . 6 1 1 A 48 48 PHE CA C 48 54.446 57.006 -2.560 1
1 530 . 6 1 1 A 48 48 PHE CB C 48 40.369 41.409 -1.040 1
1 536 . 6 1 1 A 48 48 PHE N N 48 128.029 127.944 0.085 1
1 537 . 6 1 1 A 49 49 GLY H H 49 9.103 8.838 0.265 1
1 538 . 6 1 1 A 49 49 GLY HA2 H 49 3.644 3.547 0.097 1
1 539 . 6 1 1 A 49 49 GLY HA3 H 49 3.503 3.687 -0.184 1
1 540 . 6 1 1 A 49 49 GLY C C 49 174.287 174.550 -0.263 1
1 541 . 6 1 1 A 49 49 GLY CA C 49 47.008 47.103 -0.095 1
1 542 . 6 1 1 A 49 49 GLY N N 49 118.890 116.023 2.867 1
1 543 . 6 1 1 A 50 50 GLU H H 50 8.920 8.518 0.402 1
1 544 . 6 1 1 A 50 50 GLU HA H 50 4.333 4.434 -0.101 1
1 549 . 6 1 1 A 50 50 GLU C C 50 176.000 175.897 0.103 1
1 550 . 6 1 1 A 50 50 GLU CA C 50 56.080 55.538 0.542 1
1 551 . 6 1 1 A 50 50 GLU CB C 50 30.022 29.368 0.654 1
1 553 . 6 1 1 A 50 50 GLU N N 50 125.280 125.528 -0.248 1
1 554 . 6 1 1 A 51 51 LEU H H 51 7.792 7.382 0.410 1
1 555 . 6 1 1 A 51 51 LEU HA H 51 4.635 4.891 -0.256 1
1 565 . 6 1 1 A 51 51 LEU C C 51 175.050 174.858 0.192 1
1 566 . 6 1 1 A 51 51 LEU CA C 51 54.074 53.668 0.406 1
1 567 . 6 1 1 A 51 51 LEU CB C 51 44.171 47.434 -3.263 1
1 571 . 6 1 1 A 51 51 LEU N N 51 121.706 121.174 0.532 1
1 572 . 6 1 1 A 52 52 GLU H H 52 8.165 8.705 -0.540 1
1 573 . 6 1 1 A 52 52 GLU HA H 52 5.476 5.134 0.342 1
1 578 . 6 1 1 A 52 52 GLU C C 52 176.062 175.390 0.672 1
1 579 . 6 1 1 A 52 52 GLU CA C 52 53.810 54.678 -0.868 1
1 580 . 6 1 1 A 52 52 GLU CB C 52 33.486 32.246 1.240 1
1 582 . 6 1 1 A 52 52 GLU N N 52 116.700 120.468 -3.768 1
1 583 . 6 1 1 A 53 53 GLY H H 53 8.091 8.454 -0.363 1
1 584 . 6 1 1 A 53 53 GLY HA2 H 53 3.882 4.463 -0.581 1
1 585 . 6 1 1 A 53 53 GLY HA3 H 53 3.730 4.521 -0.791 1
1 586 . 6 1 1 A 53 53 GLY C C 53 170.279 171.642 -1.363 1
1 587 . 6 1 1 A 53 53 GLY CA C 53 45.344 44.345 0.999 1
1 588 . 6 1 1 A 53 53 GLY N N 53 106.613 110.754 -4.141 1
1 589 . 6 1 1 A 54 54 TRP H H 54 8.595 8.899 -0.304 1
1 590 . 6 1 1 A 54 54 TRP HA H 54 5.348 5.516 -0.168 1
1 599 . 6 1 1 A 54 54 TRP C C 54 175.873 176.393 -0.520 1
1 600 . 6 1 1 A 54 54 TRP CA C 54 57.602 56.931 0.671 1
1 601 . 6 1 1 A 54 54 TRP CB C 54 31.176 30.812 0.364 1
1 607 . 6 1 1 A 54 54 TRP N N 54 120.550 121.122 -0.572 1
1 609 . 6 1 1 A 55 55 ALA H H 55 9.993 9.029 0.964 1
1 610 . 6 1 1 A 55 55 ALA HA H 55 4.978 4.286 0.692 1
1 614 . 6 1 1 A 55 55 ALA C C 55 173.642 174.420 -0.778 1
1 615 . 6 1 1 A 55 55 ALA CA C 55 49.335 48.899 0.436 1
1 616 . 6 1 1 A 55 55 ALA CB C 55 22.101 21.666 0.435 1
1 617 . 6 1 1 A 55 55 ALA N N 55 122.386 127.515 -5.129 1
1 618 . 6 1 1 A 56 56 PRO HA H 56 3.586 3.834 -0.248 1
1 625 . 6 1 1 A 56 56 PRO C C 56 178.765 177.326 1.439 1
1 626 . 6 1 1 A 56 56 PRO CA C 56 61.218 62.049 -0.831 1
1 627 . 6 1 1 A 56 56 PRO CB C 56 30.430 31.690 -1.260 1
1 630 . 6 1 1 A 57 57 SER H H 57 8.187 7.932 0.255 1
1 631 . 6 1 1 A 57 57 SER HA H 57 2.721 3.305 -0.584 1
1 634 . 6 1 1 A 57 57 SER C C 57 175.094 176.208 -1.114 1
1 635 . 6 1 1 A 57 57 SER CA C 57 60.865 60.092 0.773 1
1 636 . 6 1 1 A 57 57 SER CB C 57 60.645 61.261 -0.616 1
1 637 . 6 1 1 A 57 57 SER N N 57 120.088 119.295 0.793 1
1 638 . 6 1 1 A 58 58 HIS H H 58 7.482 7.255 0.227 1
1 639 . 6 1 1 A 58 58 HIS HA H 58 4.433 4.170 0.263 1
1 644 . 6 1 1 A 58 58 HIS C C 58 175.763 177.666 -1.903 1
1 645 . 6 1 1 A 58 58 HIS CA C 58 56.938 58.334 -1.396 1
1 646 . 6 1 1 A 58 58 HIS CB C 58 28.597 29.909 -1.312 1
1 649 . 6 1 1 A 58 58 HIS N N 58 115.490 119.417 -3.927 1
1 650 . 6 1 1 A 59 59 TYR H H 59 7.251 7.743 -0.492 1
1 651 . 6 1 1 A 59 59 TYR HA H 59 4.366 4.257 0.109 1
1 658 . 6 1 1 A 59 59 TYR C C 59 173.874 176.185 -2.311 1
1 659 . 6 1 1 A 59 59 TYR CA C 59 58.862 60.380 -1.518 1
1 660 . 6 1 1 A 59 59 TYR CB C 59 36.586 39.421 -2.835 1
1 665 . 6 1 1 A 59 59 TYR N N 59 120.460 116.467 3.993 1
1 666 . 6 1 1 A 60 60 LEU H H 60 7.574 6.897 0.677 1
1 667 . 6 1 1 A 60 60 LEU HA H 60 4.964 4.248 0.716 1
1 677 . 6 1 1 A 60 60 LEU C C 60 175.663 176.239 -0.576 1
1 678 . 6 1 1 A 60 60 LEU CA C 60 53.709 54.791 -1.082 1
1 679 . 6 1 1 A 60 60 LEU CB C 60 42.879 42.301 0.578 1
1 683 . 6 1 1 A 60 60 LEU N N 60 121.690 119.430 2.260 1
1 684 . 6 1 1 A 61 61 VAL H H 61 9.082 8.685 0.397 1
1 685 . 6 1 1 A 61 61 VAL HA H 61 4.309 4.768 -0.459 1
1 693 . 6 1 1 A 61 61 VAL C C 61 174.803 175.876 -1.073 1
1 694 . 6 1 1 A 61 61 VAL CA C 61 61.381 60.523 0.858 1
1 695 . 6 1 1 A 61 61 VAL CB C 61 33.607 33.151 0.456 1
1 698 . 6 1 1 A 61 61 VAL N N 61 119.010 126.036 -7.026 1
1 699 . 6 1 1 A 62 62 LEU H H 62 8.307 9.009 -0.702 1
1 700 . 6 1 1 A 62 62 LEU HA H 62 4.288 4.740 -0.452 1
1 710 . 6 1 1 A 62 62 LEU C C 62 176.976 176.590 0.386 1
1 711 . 6 1 1 A 62 62 LEU CA C 62 54.807 54.545 0.262 1
1 712 . 6 1 1 A 62 62 LEU CB C 62 42.932 42.235 0.697 1
1 716 . 6 1 1 A 62 62 LEU N N 62 127.895 129.942 -2.047 1
1 717 . 6 1 1 A 63 63 ASP H H 63 8.475 8.520 -0.045 1
1 718 . 6 1 1 A 63 63 ASP HA H 63 4.595 4.885 -0.290 1
1 721 . 6 1 1 A 63 63 ASP C C 63 176.269 174.832 1.437 1
1 722 . 6 1 1 A 63 63 ASP CA C 63 53.903 53.398 0.505 1
1 723 . 6 1 1 A 63 63 ASP CB C 63 41.618 40.942 0.676 1
1 724 . 6 1 1 A 63 63 ASP N N 63 122.904 121.691 1.213 1
1 725 . 6 1 1 A 64 64 GLU H H 64 8.528 8.658 -0.130 1
1 726 . 6 1 1 A 64 64 GLU HA H 64 4.220 4.974 -0.754 1
1 731 . 6 1 1 A 64 64 GLU C C 64 176.504 175.659 0.845 1
1 732 . 6 1 1 A 64 64 GLU CA C 64 57.043 55.149 1.894 1
1 733 . 6 1 1 A 64 64 GLU CB C 64 30.214 31.463 -1.249 1
1 735 . 6 1 1 A 64 64 GLU N N 64 122.471 123.814 -1.343 1
1 736 . 6 1 1 A 65 65 ASN H H 65 8.523 8.907 -0.384 1
1 737 . 6 1 1 A 65 65 ASN HA H 65 4.661 4.258 0.403 1
1 742 . 6 1 1 A 65 65 ASN C C 65 175.223 173.704 1.519 1
1 743 . 6 1 1 A 65 65 ASN CA C 65 53.674 54.535 -0.861 1
1 744 . 6 1 1 A 65 65 ASN CB C 65 39.088 37.322 1.766 1
1 745 . 6 1 1 A 65 65 ASN N N 65 118.895 117.811 1.084 1
1 747 . 6 1 1 A 66 66 GLU H H 66 8.222 7.728 0.494 1
1 748 . 6 1 1 A 66 66 GLU HA H 66 4.293 4.575 -0.282 1
1 753 . 6 1 1 A 66 66 GLU C C 66 176.054 174.341 1.713 1
1 754 . 6 1 1 A 66 66 GLU CA C 66 56.432 56.337 0.095 1
1 755 . 6 1 1 A 66 66 GLU CB C 66 30.476 32.222 -1.746 1
1 757 . 6 1 1 A 66 66 GLU N N 66 120.919 117.180 3.739 1
1 758 . 6 1 1 A 67 67 GLN H H 67 8.293 8.770 -0.477 1
1 759 . 6 1 1 A 67 67 GLN HA H 67 4.582 4.969 -0.387 1
1 766 . 6 1 1 A 67 67 GLN C C 67 173.836 173.572 0.264 1
1 767 . 6 1 1 A 67 67 GLN CA C 67 53.593 53.183 0.410 1
1 768 . 6 1 1 A 67 67 GLN CB C 67 28.949 29.610 -0.661 1
1 770 . 6 1 1 A 67 67 GLN N N 67 122.295 124.832 -2.537 1
1 772 . 6 1 1 A 68 68 PRO HA H 68 4.401 4.523 -0.122 1
1 779 . 6 1 1 A 68 68 PRO CA C 68 62.882 62.365 0.517 1
1 780 . 6 1 1 A 68 68 PRO CB C 68 32.175 29.558 2.617 1
1 783 . 6 1 1 A 69 69 ASP H H 69 8.502 8.383 0.119 1
1 784 . 6 1 1 A 69 69 ASP HA H 69 4.836 4.223 0.613 1
1 787 . 6 1 1 A 69 69 ASP CA C 69 51.945 55.040 -3.095 1
1 788 . 6 1 1 A 69 69 ASP CB C 69 41.305 39.274 2.031 1
1 789 . 6 1 1 A 69 69 ASP N N 69 121.937 121.827 0.110 1
1 790 . 6 1 1 A 70 70 PRO HA H 70 4.437 4.749 -0.312 1
1 797 . 6 1 1 A 70 70 PRO C C 70 177.484 176.200 1.284 1
1 798 . 6 1 1 A 70 70 PRO CA C 70 63.777 62.862 0.915 1
1 799 . 6 1 1 A 70 70 PRO CB C 70 32.027 32.103 -0.076 1
1 802 . 6 1 1 A 71 71 SER H H 71 8.506 8.545 -0.039 1
1 803 . 6 1 1 A 71 71 SER HA H 71 4.364 4.991 -0.627 1
1 806 . 6 1 1 A 71 71 SER C C 71 175.439 173.054 2.385 1
1 807 . 6 1 1 A 71 71 SER CA C 71 59.261 57.683 1.578 1
1 808 . 6 1 1 A 71 71 SER CB C 71 63.771 65.778 -2.007 1
1 809 . 6 1 1 A 71 71 SER N N 71 115.901 113.604 2.297 1
1 810 . 6 1 1 A 72 72 GLY H H 72 8.258 8.667 -0.409 1
1 811 . 6 1 1 A 72 72 GLY HA2 H 72 3.958 4.170 -0.212 1
1 812 . 6 1 1 A 72 72 GLY HA3 H 72 3.958 4.171 -0.213 1
1 813 . 6 1 1 A 72 72 GLY C C 72 174.314 172.669 1.645 1
1 814 . 6 1 1 A 72 72 GLY CA C 72 45.469 45.926 -0.457 1
1 815 . 6 1 1 A 72 72 GLY N N 72 110.595 109.882 0.713 1
1 816 . 6 1 1 A 73 73 LYS H H 73 8.052 8.582 -0.530 1
1 817 . 6 1 1 A 73 73 LYS HA H 73 4.305 4.754 -0.449 1
1 826 . 6 1 1 A 73 73 LYS C C 73 176.792 175.368 1.424 1
1 827 . 6 1 1 A 73 73 LYS CA C 73 56.420 55.105 1.315 1
1 828 . 6 1 1 A 73 73 LYS CB C 73 33.082 33.901 -0.819 1
1 832 . 6 1 1 A 73 73 LYS N N 73 120.614 121.160 -0.546 1
1 833 . 6 1 1 A 74 74 GLU H H 74 8.559 9.109 -0.550 1
1 834 . 6 1 1 A 74 74 GLU HA H 74 4.305 5.123 -0.818 1
1 839 . 6 1 1 A 74 74 GLU C C 74 176.648 175.341 1.307 1
1 840 . 6 1 1 A 74 74 GLU CA C 74 56.446 54.602 1.844 1
1 841 . 6 1 1 A 74 74 GLU CB C 74 30.215 33.695 -3.480 1
1 843 . 6 1 1 A 74 74 GLU N N 74 122.000 123.757 -1.757 1
1 844 . 6 1 1 A 75 75 SER H H 75 8.364 8.570 -0.206 1
1 845 . 6 1 1 A 75 75 SER HA H 75 4.450 5.243 -0.793 1
1 846 . 6 1 1 A 75 75 SER C C 75 174.540 173.252 1.288 1
1 847 . 6 1 1 A 75 75 SER CA C 75 58.538 57.854 0.684 1
1 848 . 6 1 1 A 75 75 SER CB C 75 63.977 65.638 -1.661 1
1 849 . 6 1 1 A 75 75 SER N N 75 116.992 116.381 0.611 1
1 850 . 6 1 1 A 76 76 GLY H H 76 8.243 8.365 -0.122 1
1 851 . 6 1 1 A 76 76 GLY HA2 H 76 4.157 4.052 0.105 1
1 852 . 6 1 1 A 76 76 GLY HA3 H 76 4.058 4.054 0.004 1
1 853 . 6 1 1 A 76 76 GLY CA C 76 44.680 45.635 -0.955 1
1 854 . 6 1 1 A 76 76 GLY N N 76 110.704 113.016 -2.312 1
1 855 . 6 1 1 A 77 77 PRO HA H 77 4.463 4.326 0.137 1
1 862 . 6 1 1 A 77 77 PRO C C 77 177.454 177.172 0.282 1
1 863 . 6 1 1 A 77 77 PRO CA C 77 63.202 65.161 -1.959 1
1 864 . 6 1 1 A 77 77 PRO CB C 77 32.276 31.062 1.214 1
1 867 . 6 1 1 A 78 78 SER H H 78 8.535 8.043 0.492 1
1 870 . 6 1 1 A 78 78 SER C C 78 174.735 174.466 0.269 1
1 871 . 6 1 1 A 78 78 SER CA C 78 58.373 59.002 -0.629 1
1 872 . 6 1 1 A 78 78 SER CB C 78 63.977 63.664 0.313 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.494 3.973 0.521 1
1 2 . 7 1 1 A 6 6 SER CA C 6 58.785 59.161 -0.376 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.483 61.793 1.690 1
1 4 . 7 1 1 A 7 7 GLY H H 7 8.367 8.092 0.275 1
1 5 . 7 1 1 A 7 7 GLY HA2 H 7 3.955 3.956 -0.001 1
1 6 . 7 1 1 A 7 7 GLY HA3 H 7 3.955 3.957 -0.002 1
1 7 . 7 1 1 A 7 7 GLY C C 7 173.640 173.219 0.421 1
1 8 . 7 1 1 A 7 7 GLY CA C 7 45.215 45.672 -0.457 1
1 9 . 7 1 1 A 7 7 GLY N N 7 110.787 108.094 2.693 1
1 10 . 7 1 1 A 8 8 ALA H H 8 8.126 8.732 -0.606 1
1 11 . 7 1 1 A 8 8 ALA HA H 8 4.458 5.220 -0.762 1
1 15 . 7 1 1 A 8 8 ALA C C 8 177.711 175.454 2.257 1
1 16 . 7 1 1 A 8 8 ALA CA C 8 52.493 50.540 1.953 1
1 17 . 7 1 1 A 8 8 ALA CB C 8 19.761 22.833 -3.072 1
1 18 . 7 1 1 A 8 8 ALA N N 8 123.680 125.651 -1.971 1
1 19 . 7 1 1 A 9 9 THR H H 9 8.254 8.682 -0.428 1
1 20 . 7 1 1 A 9 9 THR HA H 9 4.527 5.026 -0.499 1
1 25 . 7 1 1 A 9 9 THR C C 9 174.050 172.645 1.405 1
1 26 . 7 1 1 A 9 9 THR CA C 9 61.874 61.294 0.580 1
1 27 . 7 1 1 A 9 9 THR CB C 9 70.580 70.906 -0.326 1
1 29 . 7 1 1 A 9 9 THR N N 9 113.196 113.903 -0.707 1
1 30 . 7 1 1 A 10 10 SER H H 10 8.264 8.744 -0.480 1
1 31 . 7 1 1 A 10 10 SER HA H 10 5.228 5.401 -0.173 1
1 34 . 7 1 1 A 10 10 SER C C 10 173.318 173.215 0.103 1
1 35 . 7 1 1 A 10 10 SER CA C 10 58.404 57.471 0.933 1
1 36 . 7 1 1 A 10 10 SER CB C 10 64.098 64.533 -0.435 1
1 37 . 7 1 1 A 10 10 SER N N 10 120.509 121.526 -1.017 1
1 38 . 7 1 1 A 11 11 TYR H H 11 8.957 9.505 -0.548 1
1 39 . 7 1 1 A 11 11 TYR HA H 11 4.793 5.253 -0.460 1
1 46 . 7 1 1 A 11 11 TYR C C 11 174.111 174.677 -0.566 1
1 47 . 7 1 1 A 11 11 TYR CA C 11 57.097 56.378 0.719 1
1 48 . 7 1 1 A 11 11 TYR CB C 11 43.764 43.051 0.713 1
1 53 . 7 1 1 A 11 11 TYR N N 11 124.069 124.065 0.004 1
1 54 . 7 1 1 A 12 12 MET H H 12 8.985 9.217 -0.232 1
1 55 . 7 1 1 A 12 12 MET HA H 12 5.463 5.204 0.259 1
1 63 . 7 1 1 A 12 12 MET C C 12 177.045 175.540 1.505 1
1 64 . 7 1 1 A 12 12 MET CA C 12 52.215 54.303 -2.088 1
1 65 . 7 1 1 A 12 12 MET CB C 12 33.195 35.167 -1.972 1
1 68 . 7 1 1 A 12 12 MET N N 12 118.428 119.898 -1.470 1
1 69 . 7 1 1 A 13 13 THR H H 13 9.132 8.846 0.286 1
1 70 . 7 1 1 A 13 13 THR HA H 13 4.872 4.395 0.477 1
1 75 . 7 1 1 A 13 13 THR C C 13 177.032 175.079 1.953 1
1 76 . 7 1 1 A 13 13 THR CA C 13 60.003 62.094 -2.091 1
1 77 . 7 1 1 A 13 13 THR CB C 13 69.597 69.515 0.082 1
1 79 . 7 1 1 A 13 13 THR N N 13 113.981 116.373 -2.392 1
1 80 . 7 1 1 A 14 14 CYS H H 14 9.504 8.692 0.812 1
1 81 . 7 1 1 A 14 14 CYS HA H 14 4.806 4.480 0.326 1
1 84 . 7 1 1 A 14 14 CYS C C 14 173.712 174.065 -0.353 1
1 85 . 7 1 1 A 14 14 CYS CA C 14 57.209 59.932 -2.723 1
1 86 . 7 1 1 A 14 14 CYS CB C 14 28.772 28.892 -0.120 1
1 87 . 7 1 1 A 14 14 CYS N N 14 122.485 122.278 0.207 1
1 88 . 7 1 1 A 15 15 SER H H 15 7.796 7.825 -0.029 1
1 89 . 7 1 1 A 15 15 SER HA H 15 4.578 4.898 -0.320 1
1 92 . 7 1 1 A 15 15 SER C C 15 171.037 172.543 -1.506 1
1 93 . 7 1 1 A 15 15 SER CA C 15 56.858 58.005 -1.147 1
1 94 . 7 1 1 A 15 15 SER CB C 15 66.124 67.458 -1.334 1
1 95 . 7 1 1 A 15 15 SER N N 15 116.311 113.874 2.437 1
1 96 . 7 1 1 A 16 16 ALA H H 16 8.398 8.483 -0.085 1
1 97 . 7 1 1 A 16 16 ALA HA H 16 4.582 5.241 -0.659 1
1 101 . 7 1 1 A 16 16 ALA C C 16 176.897 175.890 1.007 1
1 102 . 7 1 1 A 16 16 ALA CA C 16 52.085 50.819 1.266 1
1 103 . 7 1 1 A 16 16 ALA CB C 16 19.720 20.819 -1.099 1
1 104 . 7 1 1 A 16 16 ALA N N 16 124.071 124.925 -0.854 1
1 105 . 7 1 1 A 17 17 TYR H H 17 8.401 8.306 0.095 1
1 106 . 7 1 1 A 17 17 TYR HA H 17 4.384 5.037 -0.653 1
1 113 . 7 1 1 A 17 17 TYR C C 17 173.836 174.021 -0.185 1
1 114 . 7 1 1 A 17 17 TYR CA C 17 57.801 55.987 1.814 1
1 115 . 7 1 1 A 17 17 TYR CB C 17 42.166 41.732 0.434 1
1 120 . 7 1 1 A 17 17 TYR N N 17 121.997 124.334 -2.337 1
1 121 . 7 1 1 A 18 18 GLN H H 18 6.844 8.035 -1.191 1
1 122 . 7 1 1 A 18 18 GLN HA H 18 4.318 4.729 -0.411 1
1 129 . 7 1 1 A 18 18 GLN C C 18 172.990 174.648 -1.658 1
1 130 . 7 1 1 A 18 18 GLN CA C 18 52.767 54.182 -1.415 1
1 131 . 7 1 1 A 18 18 GLN CB C 18 29.940 30.529 -0.589 1
1 133 . 7 1 1 A 18 18 GLN N N 18 127.603 124.419 3.184 1
1 135 . 7 1 1 A 19 19 LYS H H 19 8.155 8.412 -0.257 1
1 136 . 7 1 1 A 19 19 LYS HA H 19 4.130 4.554 -0.424 1
1 145 . 7 1 1 A 19 19 LYS C C 19 175.995 176.178 -0.183 1
1 146 . 7 1 1 A 19 19 LYS CA C 19 56.489 56.191 0.298 1
1 147 . 7 1 1 A 19 19 LYS CB C 19 33.369 32.947 0.422 1
1 151 . 7 1 1 A 19 19 LYS N N 19 123.114 119.846 3.268 1
1 152 . 7 1 1 A 20 20 VAL H H 20 8.679 8.897 -0.218 1
1 153 . 7 1 1 A 20 20 VAL HA H 20 4.153 4.123 0.030 1
1 161 . 7 1 1 A 20 20 VAL C C 20 176.493 175.435 1.058 1
1 162 . 7 1 1 A 20 20 VAL CA C 20 62.520 63.709 -1.189 1
1 163 . 7 1 1 A 20 20 VAL CB C 20 32.847 32.779 0.068 1
1 166 . 7 1 1 A 20 20 VAL N N 20 120.106 121.128 -1.022 1
1 167 . 7 1 1 A 21 21 GLN H H 21 7.133 7.627 -0.494 1
1 168 . 7 1 1 A 21 21 GLN HA H 21 4.582 4.768 -0.186 1
1 175 . 7 1 1 A 21 21 GLN C C 21 177.019 175.887 1.132 1
1 176 . 7 1 1 A 21 21 GLN CA C 21 54.291 54.077 0.214 1
1 177 . 7 1 1 A 21 21 GLN CB C 21 31.023 32.563 -1.540 1
1 179 . 7 1 1 A 21 21 GLN N N 21 116.079 118.150 -2.071 1
1 181 . 7 1 1 A 22 22 ASP H H 22 8.858 9.018 -0.160 1
1 182 . 7 1 1 A 22 22 ASP HA H 22 4.318 4.347 -0.029 1
1 185 . 7 1 1 A 22 22 ASP C C 22 176.746 178.625 -1.879 1
1 186 . 7 1 1 A 22 22 ASP CA C 22 57.752 56.708 1.044 1
1 187 . 7 1 1 A 22 22 ASP CB C 22 40.859 39.969 0.890 1
1 188 . 7 1 1 A 22 22 ASP N N 22 120.173 122.805 -2.632 1
1 189 . 7 1 1 A 23 23 SER H H 23 7.860 7.795 0.065 1
1 190 . 7 1 1 A 23 23 SER HA H 23 4.648 4.353 0.295 1
1 193 . 7 1 1 A 23 23 SER C C 23 175.526 175.243 0.283 1
1 194 . 7 1 1 A 23 23 SER CA C 23 58.597 61.586 -2.989 1
1 195 . 7 1 1 A 23 23 SER CB C 23 62.993 62.794 0.199 1
1 196 . 7 1 1 A 23 23 SER N N 23 110.013 112.012 -1.999 1
1 197 . 7 1 1 A 24 24 GLU H H 24 7.579 8.171 -0.592 1
1 198 . 7 1 1 A 24 24 GLU HA H 24 5.574 4.682 0.892 1
1 203 . 7 1 1 A 24 24 GLU C C 24 174.394 175.469 -1.075 1
1 204 . 7 1 1 A 24 24 GLU CA C 24 55.633 56.916 -1.283 1
1 205 . 7 1 1 A 24 24 GLU CB C 24 32.848 31.047 1.801 1
1 207 . 7 1 1 A 24 24 GLU N N 24 122.542 121.348 1.194 1
1 208 . 7 1 1 A 25 25 ILE H H 25 7.894 8.846 -0.952 1
1 209 . 7 1 1 A 25 25 ILE HA H 25 4.661 4.964 -0.303 1
1 219 . 7 1 1 A 25 25 ILE C C 25 171.519 173.795 -2.276 1
1 220 . 7 1 1 A 25 25 ILE CA C 25 58.838 59.465 -0.627 1
1 221 . 7 1 1 A 25 25 ILE CB C 25 42.673 42.241 0.432 1
1 225 . 7 1 1 A 25 25 ILE N N 25 117.944 122.949 -5.005 1
1 226 . 7 1 1 A 26 26 SER H H 26 7.535 8.982 -1.447 1
1 227 . 7 1 1 A 26 26 SER HA H 26 4.885 5.017 -0.132 1
1 230 . 7 1 1 A 26 26 SER C C 26 174.052 173.919 0.133 1
1 231 . 7 1 1 A 26 26 SER CA C 26 56.515 58.485 -1.970 1
1 232 . 7 1 1 A 26 26 SER CB C 26 65.131 64.004 1.127 1
1 233 . 7 1 1 A 26 26 SER N N 26 116.426 125.792 -9.366 1
1 234 . 7 1 1 A 27 27 PHE H H 27 8.271 7.915 0.356 1
1 235 . 7 1 1 A 27 27 PHE HA H 27 4.934 5.194 -0.260 1
1 243 . 7 1 1 A 27 27 PHE C C 27 173.278 173.292 -0.014 1
1 244 . 7 1 1 A 27 27 PHE CA C 27 53.758 54.560 -0.802 1
1 245 . 7 1 1 A 27 27 PHE CB C 27 37.379 41.650 -4.271 1
1 251 . 7 1 1 A 27 27 PHE N N 27 116.221 121.848 -5.627 1
1 252 . 7 1 1 A 28 28 PRO HA H 28 4.872 4.679 0.193 1
1 259 . 7 1 1 A 28 28 PRO C C 28 176.165 175.519 0.646 1
1 260 . 7 1 1 A 28 28 PRO CA C 28 61.019 62.444 -1.425 1
1 261 . 7 1 1 A 28 28 PRO CB C 28 32.410 33.221 -0.811 1
1 264 . 7 1 1 A 29 29 ALA H H 29 8.513 8.437 0.076 1
1 265 . 7 1 1 A 29 29 ALA HA H 29 3.822 4.724 -0.902 1
1 269 . 7 1 1 A 29 29 ALA C C 29 178.074 177.770 0.304 1
1 270 . 7 1 1 A 29 29 ALA CA C 29 52.670 51.534 1.136 1
1 271 . 7 1 1 A 29 29 ALA CB C 29 19.721 19.638 0.083 1
1 272 . 7 1 1 A 29 29 ALA N N 29 120.286 123.585 -3.299 1
1 273 . 7 1 1 A 30 30 GLY H H 30 8.022 8.561 -0.539 1
1 274 . 7 1 1 A 30 30 GLY HA2 H 30 3.956 4.095 -0.139 1
1 275 . 7 1 1 A 30 30 GLY HA3 H 30 3.733 4.105 -0.372 1
1 276 . 7 1 1 A 30 30 GLY C C 30 174.944 173.728 1.216 1
1 277 . 7 1 1 A 30 30 GLY CA C 30 46.739 45.109 1.630 1
1 278 . 7 1 1 A 30 30 GLY N N 30 110.746 111.272 -0.526 1
1 279 . 7 1 1 A 31 31 VAL H H 31 7.736 7.496 0.240 1
1 280 . 7 1 1 A 31 31 VAL HA H 31 4.753 4.923 -0.170 1
1 288 . 7 1 1 A 31 31 VAL C C 31 173.642 173.849 -0.207 1
1 289 . 7 1 1 A 31 31 VAL CA C 31 58.809 59.043 -0.234 1
1 290 . 7 1 1 A 31 31 VAL CB C 31 34.719 35.699 -0.980 1
1 293 . 7 1 1 A 31 31 VAL N N 31 112.109 115.345 -3.236 1
1 294 . 7 1 1 A 32 32 GLU H H 32 8.264 8.947 -0.683 1
1 295 . 7 1 1 A 32 32 GLU HA H 32 5.090 5.336 -0.246 1
1 300 . 7 1 1 A 32 32 GLU C C 32 176.725 175.524 1.201 1
1 301 . 7 1 1 A 32 32 GLU CA C 32 55.713 55.135 0.578 1
1 302 . 7 1 1 A 32 32 GLU CB C 32 31.615 32.463 -0.848 1
1 304 . 7 1 1 A 32 32 GLU N N 32 121.304 121.963 -0.659 1
1 305 . 7 1 1 A 33 33 VAL H H 33 9.136 8.862 0.274 1
1 306 . 7 1 1 A 33 33 VAL HA H 33 5.001 4.922 0.079 1
1 314 . 7 1 1 A 33 33 VAL C C 33 174.395 173.927 0.468 1
1 315 . 7 1 1 A 33 33 VAL CA C 33 58.765 59.104 -0.339 1
1 316 . 7 1 1 A 33 33 VAL CB C 33 34.596 35.659 -1.063 1
1 319 . 7 1 1 A 33 33 VAL N N 33 117.728 119.442 -1.714 1
1 320 . 7 1 1 A 34 34 GLN H H 34 8.551 8.280 0.271 1
1 321 . 7 1 1 A 34 34 GLN HA H 34 5.052 4.839 0.213 1
1 328 . 7 1 1 A 34 34 GLN C C 34 175.752 175.016 0.736 1
1 329 . 7 1 1 A 34 34 GLN CA C 34 54.328 55.449 -1.121 1
1 330 . 7 1 1 A 34 34 GLN CB C 34 30.760 29.990 0.770 1
1 332 . 7 1 1 A 34 34 GLN N N 34 119.032 121.577 -2.545 1
1 334 . 7 1 1 A 35 35 VAL H H 35 9.180 9.030 0.150 1
1 335 . 7 1 1 A 35 35 VAL HA H 35 4.144 4.090 0.054 1
1 343 . 7 1 1 A 35 35 VAL C C 35 175.602 175.295 0.307 1
1 344 . 7 1 1 A 35 35 VAL CA C 35 63.035 63.001 0.034 1
1 345 . 7 1 1 A 35 35 VAL CB C 35 32.056 30.901 1.155 1
1 348 . 7 1 1 A 35 35 VAL N N 35 124.135 124.523 -0.388 1
1 349 . 7 1 1 A 36 36 LEU H H 36 9.175 8.889 0.286 1
1 350 . 7 1 1 A 36 36 LEU HA H 36 4.429 4.123 0.306 1
1 360 . 7 1 1 A 36 36 LEU C C 36 177.299 176.798 0.501 1
1 361 . 7 1 1 A 36 36 LEU CA C 36 55.785 57.248 -1.463 1
1 362 . 7 1 1 A 36 36 LEU CB C 36 42.924 42.432 0.492 1
1 366 . 7 1 1 A 36 36 LEU N N 36 129.320 129.708 -0.388 1
1 367 . 7 1 1 A 37 37 GLU H H 37 7.569 7.837 -0.268 1
1 368 . 7 1 1 A 37 37 GLU HA H 37 4.414 4.735 -0.321 1
1 373 . 7 1 1 A 37 37 GLU C C 37 174.132 174.150 -0.018 1
1 374 . 7 1 1 A 37 37 GLU CA C 37 56.244 55.199 1.045 1
1 375 . 7 1 1 A 37 37 GLU CB C 37 33.236 33.206 0.030 1
1 377 . 7 1 1 A 37 37 GLU N N 37 116.925 114.646 2.279 1
1 378 . 7 1 1 A 38 38 LYS H H 38 8.693 8.419 0.274 1
1 379 . 7 1 1 A 38 38 LYS HA H 38 4.181 5.194 -1.013 1
1 388 . 7 1 1 A 38 38 LYS C C 38 175.877 174.996 0.881 1
1 389 . 7 1 1 A 38 38 LYS CA C 38 55.579 54.733 0.846 1
1 390 . 7 1 1 A 38 38 LYS CB C 38 34.965 35.582 -0.617 1
1 394 . 7 1 1 A 38 38 LYS N N 38 124.828 121.829 2.999 1
1 395 . 7 1 1 A 39 39 GLN H H 39 7.682 8.752 -1.070 1
1 396 . 7 1 1 A 39 39 GLN HA H 39 4.896 4.784 0.112 1
1 403 . 7 1 1 A 39 39 GLN C C 39 177.964 176.556 1.408 1
1 404 . 7 1 1 A 39 39 GLN CA C 39 55.324 54.596 0.728 1
1 405 . 7 1 1 A 39 39 GLN CB C 39 31.670 31.148 0.522 1
1 407 . 7 1 1 A 39 39 GLN N N 39 119.391 121.876 -2.485 1
1 409 . 7 1 1 A 40 40 GLU HA H 40 4.308 4.020 0.288 1
1 414 . 7 1 1 A 40 40 GLU C C 40 176.777 178.153 -1.376 1
1 415 . 7 1 1 A 40 40 GLU CA C 40 58.541 60.482 -1.941 1
1 416 . 7 1 1 A 40 40 GLU CB C 40 29.363 29.670 -0.307 1
1 418 . 7 1 1 A 41 41 SER H H 41 7.986 8.059 -0.073 1
1 419 . 7 1 1 A 41 41 SER HA H 41 4.413 4.324 0.089 1
1 422 . 7 1 1 A 41 41 SER C C 41 175.434 175.195 0.239 1
1 423 . 7 1 1 A 41 41 SER CA C 41 58.707 60.222 -1.515 1
1 424 . 7 1 1 A 41 41 SER CB C 41 63.871 63.770 0.101 1
1 425 . 7 1 1 A 41 41 SER N N 41 113.216 115.320 -2.104 1
1 426 . 7 1 1 A 42 42 GLY H H 42 8.135 8.070 0.065 1
1 427 . 7 1 1 A 42 42 GLY HA2 H 42 4.347 4.081 0.266 1
1 428 . 7 1 1 A 42 42 GLY HA3 H 42 3.625 4.163 -0.538 1
1 429 . 7 1 1 A 42 42 GLY C C 42 173.338 174.739 -1.401 1
1 430 . 7 1 1 A 42 42 GLY CA C 42 44.998 45.464 -0.466 1
1 431 . 7 1 1 A 42 42 GLY N N 42 108.513 109.475 -0.962 1
1 432 . 7 1 1 A 43 43 TRP H H 43 7.820 7.542 0.278 1
1 433 . 7 1 1 A 43 43 TRP HA H 43 4.942 4.616 0.326 1
1 442 . 7 1 1 A 43 43 TRP C C 43 174.648 176.750 -2.102 1
1 443 . 7 1 1 A 43 43 TRP CA C 43 57.245 58.293 -1.048 1
1 444 . 7 1 1 A 43 43 TRP CB C 43 30.102 30.015 0.087 1
1 450 . 7 1 1 A 43 43 TRP N N 43 122.320 120.664 1.656 1
1 452 . 7 1 1 A 44 44 TRP H H 44 9.769 8.997 0.772 1
1 453 . 7 1 1 A 44 44 TRP HA H 44 5.875 5.561 0.314 1
1 462 . 7 1 1 A 44 44 TRP C C 44 173.703 175.143 -1.440 1
1 463 . 7 1 1 A 44 44 TRP CA C 44 53.298 54.933 -1.635 1
1 464 . 7 1 1 A 44 44 TRP CB C 44 32.961 32.139 0.822 1
1 470 . 7 1 1 A 44 44 TRP N N 44 125.138 123.735 1.403 1
1 472 . 7 1 1 A 45 45 TYR H H 45 9.168 9.079 0.089 1
1 473 . 7 1 1 A 45 45 TYR HA H 45 4.173 4.319 -0.146 1
1 480 . 7 1 1 A 45 45 TYR C C 45 175.086 174.696 0.390 1
1 481 . 7 1 1 A 45 45 TYR CA C 45 58.044 56.601 1.443 1
1 482 . 7 1 1 A 45 45 TYR CB C 45 38.792 38.172 0.620 1
1 487 . 7 1 1 A 45 45 TYR N N 45 127.429 125.907 1.522 1
1 488 . 7 1 1 A 46 46 VAL H H 46 8.689 8.772 -0.083 1
1 489 . 7 1 1 A 46 46 VAL HA H 46 5.142 5.229 -0.087 1
1 497 . 7 1 1 A 46 46 VAL C C 46 172.384 173.567 -1.183 1
1 498 . 7 1 1 A 46 46 VAL CA C 46 59.010 59.385 -0.375 1
1 499 . 7 1 1 A 46 46 VAL CB C 46 35.502 34.247 1.255 1
1 502 . 7 1 1 A 46 46 VAL N N 46 124.245 122.137 2.108 1
1 503 . 7 1 1 A 47 47 ARG H H 47 9.049 8.400 0.649 1
1 504 . 7 1 1 A 47 47 ARG HA H 47 5.163 5.388 -0.225 1
1 512 . 7 1 1 A 47 47 ARG C C 47 175.057 174.012 1.045 1
1 513 . 7 1 1 A 47 47 ARG CA C 47 54.158 54.220 -0.062 1
1 514 . 7 1 1 A 47 47 ARG CB C 47 34.146 33.341 0.805 1
1 517 . 7 1 1 A 47 47 ARG N N 47 120.700 121.931 -1.231 1
1 519 . 7 1 1 A 48 48 PHE H H 48 9.042 9.119 -0.077 1
1 520 . 7 1 1 A 48 48 PHE HA H 48 5.296 4.773 0.523 1
1 528 . 7 1 1 A 48 48 PHE C C 48 175.133 175.642 -0.509 1
1 529 . 7 1 1 A 48 48 PHE CA C 48 54.446 57.005 -2.559 1
1 530 . 7 1 1 A 48 48 PHE CB C 48 40.369 41.199 -0.830 1
1 536 . 7 1 1 A 48 48 PHE N N 48 128.029 127.836 0.193 1
1 537 . 7 1 1 A 49 49 GLY H H 49 9.103 8.825 0.278 1
1 538 . 7 1 1 A 49 49 GLY HA2 H 49 3.644 3.557 0.087 1
1 539 . 7 1 1 A 49 49 GLY HA3 H 49 3.503 3.688 -0.185 1
1 540 . 7 1 1 A 49 49 GLY C C 49 174.287 174.457 -0.170 1
1 541 . 7 1 1 A 49 49 GLY CA C 49 47.008 47.136 -0.128 1
1 542 . 7 1 1 A 49 49 GLY N N 49 118.890 116.055 2.835 1
1 543 . 7 1 1 A 50 50 GLU H H 50 8.920 8.209 0.711 1
1 544 . 7 1 1 A 50 50 GLU HA H 50 4.333 4.312 0.021 1
1 549 . 7 1 1 A 50 50 GLU C C 50 176.000 174.530 1.470 1
1 550 . 7 1 1 A 50 50 GLU CA C 50 56.080 55.501 0.579 1
1 551 . 7 1 1 A 50 50 GLU CB C 50 30.022 30.382 -0.360 1
1 553 . 7 1 1 A 50 50 GLU N N 50 125.280 125.584 -0.304 1
1 554 . 7 1 1 A 51 51 LEU H H 51 7.792 7.204 0.588 1
1 555 . 7 1 1 A 51 51 LEU HA H 51 4.635 4.842 -0.207 1
1 565 . 7 1 1 A 51 51 LEU C C 51 175.050 175.437 -0.387 1
1 566 . 7 1 1 A 51 51 LEU CA C 51 54.074 53.664 0.410 1
1 567 . 7 1 1 A 51 51 LEU CB C 51 44.171 47.015 -2.844 1
1 571 . 7 1 1 A 51 51 LEU N N 51 121.706 121.223 0.483 1
1 572 . 7 1 1 A 52 52 GLU H H 52 8.165 8.641 -0.476 1
1 573 . 7 1 1 A 52 52 GLU HA H 52 5.476 5.187 0.289 1
1 578 . 7 1 1 A 52 52 GLU C C 52 176.062 175.092 0.970 1
1 579 . 7 1 1 A 52 52 GLU CA C 52 53.810 54.692 -0.882 1
1 580 . 7 1 1 A 52 52 GLU CB C 52 33.486 31.954 1.532 1
1 582 . 7 1 1 A 52 52 GLU N N 52 116.700 119.619 -2.919 1
1 583 . 7 1 1 A 53 53 GLY H H 53 8.091 8.684 -0.593 1
1 584 . 7 1 1 A 53 53 GLY HA2 H 53 3.882 4.424 -0.542 1
1 585 . 7 1 1 A 53 53 GLY HA3 H 53 3.730 4.487 -0.757 1
1 586 . 7 1 1 A 53 53 GLY C C 53 170.279 172.031 -1.752 1
1 587 . 7 1 1 A 53 53 GLY CA C 53 45.344 44.014 1.330 1
1 588 . 7 1 1 A 53 53 GLY N N 53 106.613 112.022 -5.409 1
1 589 . 7 1 1 A 54 54 TRP H H 54 8.595 9.014 -0.419 1
1 590 . 7 1 1 A 54 54 TRP HA H 54 5.348 5.387 -0.039 1
1 599 . 7 1 1 A 54 54 TRP C C 54 175.873 176.469 -0.596 1
1 600 . 7 1 1 A 54 54 TRP CA C 54 57.602 57.510 0.092 1
1 601 . 7 1 1 A 54 54 TRP CB C 54 31.176 29.428 1.748 1
1 607 . 7 1 1 A 54 54 TRP N N 54 120.550 121.809 -1.259 1
1 609 . 7 1 1 A 55 55 ALA H H 55 9.993 9.280 0.713 1
1 610 . 7 1 1 A 55 55 ALA HA H 55 4.978 4.549 0.429 1
1 614 . 7 1 1 A 55 55 ALA C C 55 173.642 174.817 -1.175 1
1 615 . 7 1 1 A 55 55 ALA CA C 55 49.335 49.185 0.150 1
1 616 . 7 1 1 A 55 55 ALA CB C 55 22.101 20.898 1.203 1
1 617 . 7 1 1 A 55 55 ALA N N 55 122.386 128.278 -5.892 1
1 618 . 7 1 1 A 56 56 PRO HA H 56 3.586 4.155 -0.569 1
1 625 . 7 1 1 A 56 56 PRO C C 56 178.765 177.190 1.575 1
1 626 . 7 1 1 A 56 56 PRO CA C 56 61.218 62.214 -0.996 1
1 627 . 7 1 1 A 56 56 PRO CB C 56 30.430 31.927 -1.497 1
1 630 . 7 1 1 A 57 57 SER H H 57 8.187 7.504 0.683 1
1 631 . 7 1 1 A 57 57 SER HA H 57 2.721 3.378 -0.657 1
1 634 . 7 1 1 A 57 57 SER C C 57 175.094 175.783 -0.689 1
1 635 . 7 1 1 A 57 57 SER CA C 57 60.865 60.079 0.786 1
1 636 . 7 1 1 A 57 57 SER CB C 57 60.645 61.504 -0.859 1
1 637 . 7 1 1 A 57 57 SER N N 57 120.088 120.101 -0.013 1
1 638 . 7 1 1 A 58 58 HIS H H 58 7.482 7.362 0.120 1
1 639 . 7 1 1 A 58 58 HIS HA H 58 4.433 4.079 0.354 1
1 644 . 7 1 1 A 58 58 HIS C C 58 175.763 177.249 -1.486 1
1 645 . 7 1 1 A 58 58 HIS CA C 58 56.938 59.516 -2.578 1
1 646 . 7 1 1 A 58 58 HIS CB C 58 28.597 29.762 -1.165 1
1 649 . 7 1 1 A 58 58 HIS N N 58 115.490 119.119 -3.629 1
1 650 . 7 1 1 A 59 59 TYR H H 59 7.251 7.621 -0.370 1
1 651 . 7 1 1 A 59 59 TYR HA H 59 4.366 4.276 0.090 1
1 658 . 7 1 1 A 59 59 TYR C C 59 173.874 176.327 -2.453 1
1 659 . 7 1 1 A 59 59 TYR CA C 59 58.862 60.004 -1.142 1
1 660 . 7 1 1 A 59 59 TYR CB C 59 36.586 39.377 -2.791 1
1 665 . 7 1 1 A 59 59 TYR N N 59 120.460 116.998 3.462 1
1 666 . 7 1 1 A 60 60 LEU H H 60 7.574 6.953 0.621 1
1 667 . 7 1 1 A 60 60 LEU HA H 60 4.964 4.275 0.689 1
1 677 . 7 1 1 A 60 60 LEU C C 60 175.663 176.085 -0.422 1
1 678 . 7 1 1 A 60 60 LEU CA C 60 53.709 54.893 -1.184 1
1 679 . 7 1 1 A 60 60 LEU CB C 60 42.879 42.105 0.774 1
1 683 . 7 1 1 A 60 60 LEU N N 60 121.690 120.049 1.641 1
1 684 . 7 1 1 A 61 61 VAL H H 61 9.082 8.029 1.053 1
1 685 . 7 1 1 A 61 61 VAL HA H 61 4.309 4.752 -0.443 1
1 693 . 7 1 1 A 61 61 VAL C C 61 174.803 174.664 0.139 1
1 694 . 7 1 1 A 61 61 VAL CA C 61 61.381 61.152 0.229 1
1 695 . 7 1 1 A 61 61 VAL CB C 61 33.607 33.522 0.085 1
1 698 . 7 1 1 A 61 61 VAL N N 61 119.010 123.126 -4.116 1
1 699 . 7 1 1 A 62 62 LEU H H 62 8.307 8.794 -0.487 1
1 700 . 7 1 1 A 62 62 LEU HA H 62 4.288 4.880 -0.592 1
1 710 . 7 1 1 A 62 62 LEU C C 62 176.976 177.078 -0.102 1
1 711 . 7 1 1 A 62 62 LEU CA C 62 54.807 54.074 0.733 1
1 712 . 7 1 1 A 62 62 LEU CB C 62 42.932 41.319 1.613 1
1 716 . 7 1 1 A 62 62 LEU N N 62 127.895 128.299 -0.404 1
1 717 . 7 1 1 A 63 63 ASP H H 63 8.475 8.946 -0.471 1
1 718 . 7 1 1 A 63 63 ASP HA H 63 4.595 4.311 0.284 1
1 721 . 7 1 1 A 63 63 ASP C C 63 176.269 176.426 -0.157 1
1 722 . 7 1 1 A 63 63 ASP CA C 63 53.903 55.215 -1.312 1
1 723 . 7 1 1 A 63 63 ASP CB C 63 41.618 40.114 1.504 1
1 724 . 7 1 1 A 63 63 ASP N N 63 122.904 124.002 -1.098 1
1 725 . 7 1 1 A 64 64 GLU H H 64 8.528 7.931 0.597 1
1 726 . 7 1 1 A 64 64 GLU HA H 64 4.220 4.466 -0.246 1
1 731 . 7 1 1 A 64 64 GLU C C 64 176.504 175.026 1.478 1
1 732 . 7 1 1 A 64 64 GLU CA C 64 57.043 55.454 1.589 1
1 733 . 7 1 1 A 64 64 GLU CB C 64 30.214 28.855 1.359 1
1 735 . 7 1 1 A 64 64 GLU N N 64 122.471 119.014 3.457 1
1 736 . 7 1 1 A 65 65 ASN H H 65 8.523 7.703 0.820 1
1 737 . 7 1 1 A 65 65 ASN HA H 65 4.661 5.435 -0.774 1
1 742 . 7 1 1 A 65 65 ASN C C 65 175.223 173.896 1.327 1
1 743 . 7 1 1 A 65 65 ASN CA C 65 53.674 51.674 2.000 1
1 744 . 7 1 1 A 65 65 ASN CB C 65 39.088 41.447 -2.359 1
1 745 . 7 1 1 A 65 65 ASN N N 65 118.895 122.896 -4.001 1
1 747 . 7 1 1 A 66 66 GLU H H 66 8.222 8.532 -0.310 1
1 748 . 7 1 1 A 66 66 GLU HA H 66 4.293 4.600 -0.307 1
1 753 . 7 1 1 A 66 66 GLU C C 66 176.054 176.201 -0.147 1
1 754 . 7 1 1 A 66 66 GLU CA C 66 56.432 55.451 0.981 1
1 755 . 7 1 1 A 66 66 GLU CB C 66 30.476 29.665 0.811 1
1 757 . 7 1 1 A 66 66 GLU N N 66 120.919 125.605 -4.686 1
1 758 . 7 1 1 A 67 67 GLN H H 67 8.293 8.610 -0.317 1
1 759 . 7 1 1 A 67 67 GLN HA H 67 4.582 4.269 0.313 1
1 766 . 7 1 1 A 67 67 GLN C C 67 173.836 175.446 -1.610 1
1 767 . 7 1 1 A 67 67 GLN CA C 67 53.593 55.327 -1.734 1
1 768 . 7 1 1 A 67 67 GLN CB C 67 28.949 28.663 0.286 1
1 770 . 7 1 1 A 67 67 GLN N N 67 122.295 125.198 -2.903 1
1 772 . 7 1 1 A 68 68 PRO HA H 68 4.401 4.420 -0.019 1
1 779 . 7 1 1 A 68 68 PRO CA C 68 62.882 62.634 0.248 1
1 780 . 7 1 1 A 68 68 PRO CB C 68 32.175 32.028 0.147 1
1 783 . 7 1 1 A 69 69 ASP H H 69 8.502 8.498 0.004 1
1 784 . 7 1 1 A 69 69 ASP HA H 69 4.836 4.613 0.223 1
1 787 . 7 1 1 A 69 69 ASP CA C 69 51.945 52.395 -0.450 1
1 788 . 7 1 1 A 69 69 ASP CB C 69 41.305 41.154 0.151 1
1 789 . 7 1 1 A 69 69 ASP N N 69 121.937 122.052 -0.115 1
1 790 . 7 1 1 A 70 70 PRO HA H 70 4.437 4.807 -0.370 1
1 797 . 7 1 1 A 70 70 PRO C C 70 177.484 176.034 1.450 1
1 798 . 7 1 1 A 70 70 PRO CA C 70 63.777 62.797 0.980 1
1 799 . 7 1 1 A 70 70 PRO CB C 70 32.027 32.159 -0.132 1
1 802 . 7 1 1 A 71 71 SER H H 71 8.506 8.509 -0.003 1
1 803 . 7 1 1 A 71 71 SER HA H 71 4.364 5.000 -0.636 1
1 806 . 7 1 1 A 71 71 SER C C 71 175.439 173.958 1.481 1
1 807 . 7 1 1 A 71 71 SER CA C 71 59.261 57.728 1.533 1
1 808 . 7 1 1 A 71 71 SER CB C 71 63.771 67.256 -3.485 1
1 809 . 7 1 1 A 71 71 SER N N 71 115.901 118.277 -2.376 1
1 810 . 7 1 1 A 72 72 GLY H H 72 8.258 8.513 -0.255 1
1 811 . 7 1 1 A 72 72 GLY HA2 H 72 3.958 4.032 -0.074 1
1 812 . 7 1 1 A 72 72 GLY HA3 H 72 3.958 4.033 -0.075 1
1 813 . 7 1 1 A 72 72 GLY C C 72 174.314 173.039 1.275 1
1 814 . 7 1 1 A 72 72 GLY CA C 72 45.469 45.197 0.272 1
1 815 . 7 1 1 A 72 72 GLY N N 72 110.595 109.940 0.655 1
1 816 . 7 1 1 A 73 73 LYS H H 73 8.052 8.170 -0.118 1
1 817 . 7 1 1 A 73 73 LYS HA H 73 4.305 4.671 -0.366 1
1 826 . 7 1 1 A 73 73 LYS C C 73 176.792 176.203 0.589 1
1 827 . 7 1 1 A 73 73 LYS CA C 73 56.420 55.923 0.497 1
1 828 . 7 1 1 A 73 73 LYS CB C 73 33.082 33.506 -0.424 1
1 832 . 7 1 1 A 73 73 LYS N N 73 120.614 118.830 1.784 1
1 833 . 7 1 1 A 74 74 GLU H H 74 8.559 8.645 -0.086 1
1 834 . 7 1 1 A 74 74 GLU HA H 74 4.305 4.432 -0.127 1
1 839 . 7 1 1 A 74 74 GLU C C 74 176.648 175.666 0.982 1
1 840 . 7 1 1 A 74 74 GLU CA C 74 56.446 56.145 0.301 1
1 841 . 7 1 1 A 74 74 GLU CB C 74 30.215 29.011 1.204 1
1 843 . 7 1 1 A 74 74 GLU N N 74 122.000 122.561 -0.561 1
1 844 . 7 1 1 A 75 75 SER H H 75 8.364 8.354 0.010 1
1 845 . 7 1 1 A 75 75 SER HA H 75 4.450 4.692 -0.242 1
1 846 . 7 1 1 A 75 75 SER C C 75 174.540 174.281 0.259 1
1 847 . 7 1 1 A 75 75 SER CA C 75 58.538 58.619 -0.081 1
1 848 . 7 1 1 A 75 75 SER CB C 75 63.977 64.155 -0.178 1
1 849 . 7 1 1 A 75 75 SER N N 75 116.992 122.932 -5.940 1
1 850 . 7 1 1 A 76 76 GLY H H 76 8.243 8.615 -0.372 1
1 851 . 7 1 1 A 76 76 GLY HA2 H 76 4.157 4.327 -0.170 1
1 852 . 7 1 1 A 76 76 GLY HA3 H 76 4.058 4.327 -0.269 1
1 853 . 7 1 1 A 76 76 GLY CA C 76 44.680 44.278 0.402 1
1 854 . 7 1 1 A 76 76 GLY N N 76 110.704 110.316 0.388 1
1 855 . 7 1 1 A 77 77 PRO HA H 77 4.463 4.661 -0.198 1
1 862 . 7 1 1 A 77 77 PRO C C 77 177.454 177.500 -0.046 1
1 863 . 7 1 1 A 77 77 PRO CA C 77 63.202 62.145 1.057 1
1 864 . 7 1 1 A 77 77 PRO CB C 77 32.276 29.655 2.621 1
1 867 . 7 1 1 A 78 78 SER H H 78 8.535 8.449 0.086 1
1 870 . 7 1 1 A 78 78 SER C C 78 174.735 176.146 -1.411 1
1 871 . 7 1 1 A 78 78 SER CA C 78 58.373 61.678 -3.305 1
1 872 . 7 1 1 A 78 78 SER CB C 78 63.977 62.826 1.151 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.494 5.061 -0.567 1
1 2 . 8 1 1 A 6 6 SER CA C 6 58.785 57.780 1.005 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.483 65.949 -2.466 1
1 4 . 8 1 1 A 7 7 GLY H H 7 8.367 8.741 -0.374 1
1 5 . 8 1 1 A 7 7 GLY HA2 H 7 3.955 4.010 -0.055 1
1 6 . 8 1 1 A 7 7 GLY HA3 H 7 3.955 4.011 -0.056 1
1 7 . 8 1 1 A 7 7 GLY C C 7 173.640 173.644 -0.004 1
1 8 . 8 1 1 A 7 7 GLY CA C 7 45.215 45.964 -0.749 1
1 9 . 8 1 1 A 7 7 GLY N N 7 110.787 112.422 -1.635 1
1 10 . 8 1 1 A 8 8 ALA H H 8 8.126 7.810 0.316 1
1 11 . 8 1 1 A 8 8 ALA HA H 8 4.458 4.881 -0.423 1
1 15 . 8 1 1 A 8 8 ALA C C 8 177.711 175.457 2.254 1
1 16 . 8 1 1 A 8 8 ALA CA C 8 52.493 51.376 1.117 1
1 17 . 8 1 1 A 8 8 ALA CB C 8 19.761 23.529 -3.768 1
1 18 . 8 1 1 A 8 8 ALA N N 8 123.680 120.839 2.841 1
1 19 . 8 1 1 A 9 9 THR H H 9 8.254 8.724 -0.470 1
1 20 . 8 1 1 A 9 9 THR HA H 9 4.527 4.924 -0.397 1
1 25 . 8 1 1 A 9 9 THR C C 9 174.050 173.730 0.320 1
1 26 . 8 1 1 A 9 9 THR CA C 9 61.874 60.870 1.004 1
1 27 . 8 1 1 A 9 9 THR CB C 9 70.580 71.946 -1.366 1
1 29 . 8 1 1 A 9 9 THR N N 9 113.196 113.927 -0.731 1
1 30 . 8 1 1 A 10 10 SER H H 10 8.264 8.995 -0.731 1
1 31 . 8 1 1 A 10 10 SER HA H 10 5.228 5.784 -0.556 1
1 34 . 8 1 1 A 10 10 SER C C 10 173.318 173.479 -0.161 1
1 35 . 8 1 1 A 10 10 SER CA C 10 58.404 56.911 1.493 1
1 36 . 8 1 1 A 10 10 SER CB C 10 64.098 65.034 -0.936 1
1 37 . 8 1 1 A 10 10 SER N N 10 120.509 119.763 0.746 1
1 38 . 8 1 1 A 11 11 TYR H H 11 8.957 9.217 -0.260 1
1 39 . 8 1 1 A 11 11 TYR HA H 11 4.793 5.266 -0.473 1
1 46 . 8 1 1 A 11 11 TYR C C 11 174.111 174.876 -0.765 1
1 47 . 8 1 1 A 11 11 TYR CA C 11 57.097 56.399 0.698 1
1 48 . 8 1 1 A 11 11 TYR CB C 11 43.764 42.885 0.879 1
1 53 . 8 1 1 A 11 11 TYR N N 11 124.069 120.990 3.079 1
1 54 . 8 1 1 A 12 12 MET H H 12 8.985 9.063 -0.078 1
1 55 . 8 1 1 A 12 12 MET HA H 12 5.463 5.303 0.160 1
1 63 . 8 1 1 A 12 12 MET C C 12 177.045 175.034 2.011 1
1 64 . 8 1 1 A 12 12 MET CA C 12 52.215 54.029 -1.814 1
1 65 . 8 1 1 A 12 12 MET CB C 12 33.195 34.681 -1.486 1
1 68 . 8 1 1 A 12 12 MET N N 12 118.428 120.314 -1.886 1
1 69 . 8 1 1 A 13 13 THR H H 13 9.132 8.837 0.295 1
1 70 . 8 1 1 A 13 13 THR HA H 13 4.872 4.858 0.014 1
1 75 . 8 1 1 A 13 13 THR C C 13 177.032 174.406 2.626 1
1 76 . 8 1 1 A 13 13 THR CA C 13 60.003 61.026 -1.023 1
1 77 . 8 1 1 A 13 13 THR CB C 13 69.597 69.863 -0.266 1
1 79 . 8 1 1 A 13 13 THR N N 13 113.981 113.839 0.142 1
1 80 . 8 1 1 A 14 14 CYS H H 14 9.504 9.035 0.469 1
1 81 . 8 1 1 A 14 14 CYS HA H 14 4.806 4.557 0.249 1
1 84 . 8 1 1 A 14 14 CYS C C 14 173.712 174.030 -0.318 1
1 85 . 8 1 1 A 14 14 CYS CA C 14 57.209 59.400 -2.191 1
1 86 . 8 1 1 A 14 14 CYS CB C 14 28.772 28.813 -0.041 1
1 87 . 8 1 1 A 14 14 CYS N N 14 122.485 123.630 -1.145 1
1 88 . 8 1 1 A 15 15 SER H H 15 7.796 7.713 0.083 1
1 89 . 8 1 1 A 15 15 SER HA H 15 4.578 4.807 -0.229 1
1 92 . 8 1 1 A 15 15 SER C C 15 171.037 172.596 -1.559 1
1 93 . 8 1 1 A 15 15 SER CA C 15 56.858 57.908 -1.050 1
1 94 . 8 1 1 A 15 15 SER CB C 15 66.124 67.331 -1.207 1
1 95 . 8 1 1 A 15 15 SER N N 15 116.311 114.555 1.756 1
1 96 . 8 1 1 A 16 16 ALA H H 16 8.398 8.549 -0.151 1
1 97 . 8 1 1 A 16 16 ALA HA H 16 4.582 4.790 -0.208 1
1 101 . 8 1 1 A 16 16 ALA C C 16 176.897 176.394 0.503 1
1 102 . 8 1 1 A 16 16 ALA CA C 16 52.085 51.316 0.769 1
1 103 . 8 1 1 A 16 16 ALA CB C 16 19.720 19.671 0.049 1
1 104 . 8 1 1 A 16 16 ALA N N 16 124.071 125.891 -1.820 1
1 105 . 8 1 1 A 17 17 TYR H H 17 8.401 8.813 -0.412 1
1 106 . 8 1 1 A 17 17 TYR HA H 17 4.384 4.965 -0.581 1
1 113 . 8 1 1 A 17 17 TYR C C 17 173.836 174.174 -0.338 1
1 114 . 8 1 1 A 17 17 TYR CA C 17 57.801 58.112 -0.311 1
1 115 . 8 1 1 A 17 17 TYR CB C 17 42.166 39.845 2.321 1
1 120 . 8 1 1 A 17 17 TYR N N 17 121.997 126.262 -4.265 1
1 121 . 8 1 1 A 18 18 GLN H H 18 6.844 7.809 -0.965 1
1 122 . 8 1 1 A 18 18 GLN HA H 18 4.318 4.756 -0.438 1
1 129 . 8 1 1 A 18 18 GLN C C 18 172.990 174.780 -1.790 1
1 130 . 8 1 1 A 18 18 GLN CA C 18 52.767 53.186 -0.419 1
1 131 . 8 1 1 A 18 18 GLN CB C 18 29.940 31.920 -1.980 1
1 133 . 8 1 1 A 18 18 GLN N N 18 127.603 126.542 1.061 1
1 135 . 8 1 1 A 19 19 LYS H H 19 8.155 8.430 -0.275 1
1 136 . 8 1 1 A 19 19 LYS HA H 19 4.130 4.663 -0.533 1
1 145 . 8 1 1 A 19 19 LYS C C 19 175.995 176.338 -0.343 1
1 146 . 8 1 1 A 19 19 LYS CA C 19 56.489 55.968 0.521 1
1 147 . 8 1 1 A 19 19 LYS CB C 19 33.369 33.007 0.362 1
1 151 . 8 1 1 A 19 19 LYS N N 19 123.114 123.578 -0.464 1
1 152 . 8 1 1 A 20 20 VAL H H 20 8.679 8.855 -0.176 1
1 153 . 8 1 1 A 20 20 VAL HA H 20 4.153 4.083 0.070 1
1 161 . 8 1 1 A 20 20 VAL C C 20 176.493 175.454 1.039 1
1 162 . 8 1 1 A 20 20 VAL CA C 20 62.520 63.916 -1.396 1
1 163 . 8 1 1 A 20 20 VAL CB C 20 32.847 32.840 0.007 1
1 166 . 8 1 1 A 20 20 VAL N N 20 120.106 121.059 -0.953 1
1 167 . 8 1 1 A 21 21 GLN H H 21 7.133 7.626 -0.493 1
1 168 . 8 1 1 A 21 21 GLN HA H 21 4.582 4.771 -0.189 1
1 175 . 8 1 1 A 21 21 GLN C C 21 177.019 175.845 1.174 1
1 176 . 8 1 1 A 21 21 GLN CA C 21 54.291 53.992 0.299 1
1 177 . 8 1 1 A 21 21 GLN CB C 21 31.023 32.572 -1.549 1
1 179 . 8 1 1 A 21 21 GLN N N 21 116.079 118.194 -2.115 1
1 181 . 8 1 1 A 22 22 ASP H H 22 8.858 9.009 -0.151 1
1 182 . 8 1 1 A 22 22 ASP HA H 22 4.318 4.342 -0.024 1
1 185 . 8 1 1 A 22 22 ASP C C 22 176.746 178.291 -1.545 1
1 186 . 8 1 1 A 22 22 ASP CA C 22 57.752 57.048 0.704 1
1 187 . 8 1 1 A 22 22 ASP CB C 22 40.859 39.752 1.107 1
1 188 . 8 1 1 A 22 22 ASP N N 22 120.173 122.775 -2.602 1
1 189 . 8 1 1 A 23 23 SER H H 23 7.860 8.053 -0.193 1
1 190 . 8 1 1 A 23 23 SER HA H 23 4.648 4.321 0.327 1
1 193 . 8 1 1 A 23 23 SER C C 23 175.526 175.240 0.286 1
1 194 . 8 1 1 A 23 23 SER CA C 23 58.597 61.665 -3.068 1
1 195 . 8 1 1 A 23 23 SER CB C 23 62.993 63.387 -0.394 1
1 196 . 8 1 1 A 23 23 SER N N 23 110.013 115.601 -5.588 1
1 197 . 8 1 1 A 24 24 GLU H H 24 7.579 8.358 -0.779 1
1 198 . 8 1 1 A 24 24 GLU HA H 24 5.574 4.810 0.764 1
1 203 . 8 1 1 A 24 24 GLU C C 24 174.394 175.340 -0.946 1
1 204 . 8 1 1 A 24 24 GLU CA C 24 55.633 56.094 -0.461 1
1 205 . 8 1 1 A 24 24 GLU CB C 24 32.848 30.882 1.966 1
1 207 . 8 1 1 A 24 24 GLU N N 24 122.542 118.920 3.622 1
1 208 . 8 1 1 A 25 25 ILE H H 25 7.894 8.863 -0.969 1
1 209 . 8 1 1 A 25 25 ILE HA H 25 4.661 4.995 -0.334 1
1 219 . 8 1 1 A 25 25 ILE C C 25 171.519 174.451 -2.932 1
1 220 . 8 1 1 A 25 25 ILE CA C 25 58.838 59.467 -0.629 1
1 221 . 8 1 1 A 25 25 ILE CB C 25 42.673 42.130 0.543 1
1 225 . 8 1 1 A 25 25 ILE N N 25 117.944 123.433 -5.489 1
1 226 . 8 1 1 A 26 26 SER H H 26 7.535 9.086 -1.551 1
1 227 . 8 1 1 A 26 26 SER HA H 26 4.885 5.273 -0.388 1
1 230 . 8 1 1 A 26 26 SER C C 26 174.052 173.953 0.099 1
1 231 . 8 1 1 A 26 26 SER CA C 26 56.515 57.257 -0.742 1
1 232 . 8 1 1 A 26 26 SER CB C 26 65.131 64.897 0.234 1
1 233 . 8 1 1 A 26 26 SER N N 26 116.426 124.387 -7.961 1
1 234 . 8 1 1 A 27 27 PHE H H 27 8.271 8.229 0.042 1
1 235 . 8 1 1 A 27 27 PHE HA H 27 4.934 5.296 -0.362 1
1 243 . 8 1 1 A 27 27 PHE C C 27 173.278 173.053 0.225 1
1 244 . 8 1 1 A 27 27 PHE CA C 27 53.758 54.838 -1.080 1
1 245 . 8 1 1 A 27 27 PHE CB C 27 37.379 41.293 -3.914 1
1 251 . 8 1 1 A 27 27 PHE N N 27 116.221 119.128 -2.907 1
1 252 . 8 1 1 A 28 28 PRO HA H 28 4.872 4.675 0.197 1
1 259 . 8 1 1 A 28 28 PRO C C 28 176.165 175.606 0.559 1
1 260 . 8 1 1 A 28 28 PRO CA C 28 61.019 62.511 -1.492 1
1 261 . 8 1 1 A 28 28 PRO CB C 28 32.410 32.822 -0.412 1
1 264 . 8 1 1 A 29 29 ALA H H 29 8.513 8.355 0.158 1
1 265 . 8 1 1 A 29 29 ALA HA H 29 3.822 4.650 -0.828 1
1 269 . 8 1 1 A 29 29 ALA C C 29 178.074 177.979 0.095 1
1 270 . 8 1 1 A 29 29 ALA CA C 29 52.670 52.519 0.151 1
1 271 . 8 1 1 A 29 29 ALA CB C 29 19.721 19.635 0.086 1
1 272 . 8 1 1 A 29 29 ALA N N 29 120.286 123.714 -3.428 1
1 273 . 8 1 1 A 30 30 GLY H H 30 8.022 8.779 -0.757 1
1 274 . 8 1 1 A 30 30 GLY HA2 H 30 3.956 4.072 -0.116 1
1 275 . 8 1 1 A 30 30 GLY HA3 H 30 3.733 4.080 -0.347 1
1 276 . 8 1 1 A 30 30 GLY C C 30 174.944 173.720 1.224 1
1 277 . 8 1 1 A 30 30 GLY CA C 30 46.739 45.217 1.522 1
1 278 . 8 1 1 A 30 30 GLY N N 30 110.746 111.246 -0.500 1
1 279 . 8 1 1 A 31 31 VAL H H 31 7.736 7.380 0.356 1
1 280 . 8 1 1 A 31 31 VAL HA H 31 4.753 4.844 -0.091 1
1 288 . 8 1 1 A 31 31 VAL C C 31 173.642 174.026 -0.384 1
1 289 . 8 1 1 A 31 31 VAL CA C 31 58.809 59.064 -0.255 1
1 290 . 8 1 1 A 31 31 VAL CB C 31 34.719 35.337 -0.618 1
1 293 . 8 1 1 A 31 31 VAL N N 31 112.109 115.149 -3.040 1
1 294 . 8 1 1 A 32 32 GLU H H 32 8.264 8.786 -0.522 1
1 295 . 8 1 1 A 32 32 GLU HA H 32 5.090 5.068 0.022 1
1 300 . 8 1 1 A 32 32 GLU C C 32 176.725 176.085 0.640 1
1 301 . 8 1 1 A 32 32 GLU CA C 32 55.713 55.438 0.275 1
1 302 . 8 1 1 A 32 32 GLU CB C 32 31.615 31.143 0.472 1
1 304 . 8 1 1 A 32 32 GLU N N 32 121.304 122.679 -1.375 1
1 305 . 8 1 1 A 33 33 VAL H H 33 9.136 9.068 0.068 1
1 306 . 8 1 1 A 33 33 VAL HA H 33 5.001 4.939 0.062 1
1 314 . 8 1 1 A 33 33 VAL C C 33 174.395 173.350 1.045 1
1 315 . 8 1 1 A 33 33 VAL CA C 33 58.765 58.716 0.049 1
1 316 . 8 1 1 A 33 33 VAL CB C 33 34.596 35.820 -1.224 1
1 319 . 8 1 1 A 33 33 VAL N N 33 117.728 119.445 -1.717 1
1 320 . 8 1 1 A 34 34 GLN H H 34 8.551 8.317 0.234 1
1 321 . 8 1 1 A 34 34 GLN HA H 34 5.052 5.089 -0.037 1
1 328 . 8 1 1 A 34 34 GLN C C 34 175.752 174.630 1.122 1
1 329 . 8 1 1 A 34 34 GLN CA C 34 54.328 54.197 0.131 1
1 330 . 8 1 1 A 34 34 GLN CB C 34 30.760 32.465 -1.705 1
1 332 . 8 1 1 A 34 34 GLN N N 34 119.032 121.315 -2.283 1
1 334 . 8 1 1 A 35 35 VAL H H 35 9.180 8.938 0.242 1
1 335 . 8 1 1 A 35 35 VAL HA H 35 4.144 4.212 -0.068 1
1 343 . 8 1 1 A 35 35 VAL C C 35 175.602 175.314 0.288 1
1 344 . 8 1 1 A 35 35 VAL CA C 35 63.035 62.761 0.274 1
1 345 . 8 1 1 A 35 35 VAL CB C 35 32.056 30.919 1.137 1
1 348 . 8 1 1 A 35 35 VAL N N 35 124.135 127.160 -3.025 1
1 349 . 8 1 1 A 36 36 LEU H H 36 9.175 8.632 0.543 1
1 350 . 8 1 1 A 36 36 LEU HA H 36 4.429 4.065 0.364 1
1 360 . 8 1 1 A 36 36 LEU C C 36 177.299 176.628 0.671 1
1 361 . 8 1 1 A 36 36 LEU CA C 36 55.785 57.027 -1.242 1
1 362 . 8 1 1 A 36 36 LEU CB C 36 42.924 42.224 0.700 1
1 366 . 8 1 1 A 36 36 LEU N N 36 129.320 129.700 -0.380 1
1 367 . 8 1 1 A 37 37 GLU H H 37 7.569 7.790 -0.221 1
1 368 . 8 1 1 A 37 37 GLU HA H 37 4.414 4.724 -0.310 1
1 373 . 8 1 1 A 37 37 GLU C C 37 174.132 173.999 0.133 1
1 374 . 8 1 1 A 37 37 GLU CA C 37 56.244 55.329 0.915 1
1 375 . 8 1 1 A 37 37 GLU CB C 37 33.236 33.095 0.141 1
1 377 . 8 1 1 A 37 37 GLU N N 37 116.925 115.040 1.885 1
1 378 . 8 1 1 A 38 38 LYS H H 38 8.693 8.440 0.253 1
1 379 . 8 1 1 A 38 38 LYS HA H 38 4.181 5.072 -0.891 1
1 388 . 8 1 1 A 38 38 LYS C C 38 175.877 175.280 0.597 1
1 389 . 8 1 1 A 38 38 LYS CA C 38 55.579 54.740 0.839 1
1 390 . 8 1 1 A 38 38 LYS CB C 38 34.965 35.127 -0.162 1
1 394 . 8 1 1 A 38 38 LYS N N 38 124.828 123.080 1.748 1
1 395 . 8 1 1 A 39 39 GLN H H 39 7.682 8.738 -1.056 1
1 396 . 8 1 1 A 39 39 GLN HA H 39 4.896 4.774 0.122 1
1 403 . 8 1 1 A 39 39 GLN C C 39 177.964 176.845 1.119 1
1 404 . 8 1 1 A 39 39 GLN CA C 39 55.324 55.241 0.083 1
1 405 . 8 1 1 A 39 39 GLN CB C 39 31.670 30.435 1.235 1
1 407 . 8 1 1 A 39 39 GLN N N 39 119.391 122.418 -3.027 1
1 409 . 8 1 1 A 40 40 GLU HA H 40 4.308 4.141 0.167 1
1 414 . 8 1 1 A 40 40 GLU C C 40 176.777 178.347 -1.570 1
1 415 . 8 1 1 A 40 40 GLU CA C 40 58.541 59.289 -0.748 1
1 416 . 8 1 1 A 40 40 GLU CB C 40 29.363 29.002 0.361 1
1 418 . 8 1 1 A 41 41 SER H H 41 7.986 8.211 -0.225 1
1 419 . 8 1 1 A 41 41 SER HA H 41 4.413 4.277 0.136 1
1 422 . 8 1 1 A 41 41 SER C C 41 175.434 174.923 0.511 1
1 423 . 8 1 1 A 41 41 SER CA C 41 58.707 62.126 -3.419 1
1 424 . 8 1 1 A 41 41 SER CB C 41 63.871 63.376 0.495 1
1 425 . 8 1 1 A 41 41 SER N N 41 113.216 116.836 -3.620 1
1 426 . 8 1 1 A 42 42 GLY H H 42 8.135 7.734 0.401 1
1 427 . 8 1 1 A 42 42 GLY HA2 H 42 4.347 4.047 0.300 1
1 428 . 8 1 1 A 42 42 GLY HA3 H 42 3.625 4.090 -0.465 1
1 429 . 8 1 1 A 42 42 GLY C C 42 173.338 174.781 -1.443 1
1 430 . 8 1 1 A 42 42 GLY CA C 42 44.998 45.541 -0.543 1
1 431 . 8 1 1 A 42 42 GLY N N 42 108.513 107.321 1.192 1
1 432 . 8 1 1 A 43 43 TRP H H 43 7.820 7.992 -0.172 1
1 433 . 8 1 1 A 43 43 TRP HA H 43 4.942 4.603 0.339 1
1 442 . 8 1 1 A 43 43 TRP C C 43 174.648 176.807 -2.159 1
1 443 . 8 1 1 A 43 43 TRP CA C 43 57.245 58.153 -0.908 1
1 444 . 8 1 1 A 43 43 TRP CB C 43 30.102 30.096 0.006 1
1 450 . 8 1 1 A 43 43 TRP N N 43 122.320 120.670 1.650 1
1 452 . 8 1 1 A 44 44 TRP H H 44 9.769 8.885 0.884 1
1 453 . 8 1 1 A 44 44 TRP HA H 44 5.875 5.524 0.351 1
1 462 . 8 1 1 A 44 44 TRP C C 44 173.703 175.136 -1.433 1
1 463 . 8 1 1 A 44 44 TRP CA C 44 53.298 54.762 -1.464 1
1 464 . 8 1 1 A 44 44 TRP CB C 44 32.961 32.210 0.751 1
1 470 . 8 1 1 A 44 44 TRP N N 44 125.138 123.703 1.435 1
1 472 . 8 1 1 A 45 45 TYR H H 45 9.168 8.906 0.262 1
1 473 . 8 1 1 A 45 45 TYR HA H 45 4.173 4.091 0.082 1
1 480 . 8 1 1 A 45 45 TYR C C 45 175.086 174.779 0.307 1
1 481 . 8 1 1 A 45 45 TYR CA C 45 58.044 56.743 1.301 1
1 482 . 8 1 1 A 45 45 TYR CB C 45 38.792 37.798 0.994 1
1 487 . 8 1 1 A 45 45 TYR N N 45 127.429 125.922 1.507 1
1 488 . 8 1 1 A 46 46 VAL H H 46 8.689 8.876 -0.187 1
1 489 . 8 1 1 A 46 46 VAL HA H 46 5.142 5.175 -0.033 1
1 497 . 8 1 1 A 46 46 VAL C C 46 172.384 173.597 -1.213 1
1 498 . 8 1 1 A 46 46 VAL CA C 46 59.010 59.559 -0.549 1
1 499 . 8 1 1 A 46 46 VAL CB C 46 35.502 34.080 1.422 1
1 502 . 8 1 1 A 46 46 VAL N N 46 124.245 122.091 2.154 1
1 503 . 8 1 1 A 47 47 ARG H H 47 9.049 8.515 0.534 1
1 504 . 8 1 1 A 47 47 ARG HA H 47 5.163 5.106 0.057 1
1 512 . 8 1 1 A 47 47 ARG C C 47 175.057 174.067 0.990 1
1 513 . 8 1 1 A 47 47 ARG CA C 47 54.158 54.258 -0.100 1
1 514 . 8 1 1 A 47 47 ARG CB C 47 34.146 33.260 0.886 1
1 517 . 8 1 1 A 47 47 ARG N N 47 120.700 121.775 -1.075 1
1 519 . 8 1 1 A 48 48 PHE H H 48 9.042 8.965 0.077 1
1 520 . 8 1 1 A 48 48 PHE HA H 48 5.296 4.729 0.567 1
1 528 . 8 1 1 A 48 48 PHE C C 48 175.133 175.550 -0.417 1
1 529 . 8 1 1 A 48 48 PHE CA C 48 54.446 57.015 -2.569 1
1 530 . 8 1 1 A 48 48 PHE CB C 48 40.369 40.928 -0.559 1
1 536 . 8 1 1 A 48 48 PHE N N 48 128.029 127.974 0.055 1
1 537 . 8 1 1 A 49 49 GLY H H 49 9.103 8.856 0.247 1
1 538 . 8 1 1 A 49 49 GLY HA2 H 49 3.644 3.599 0.045 1
1 539 . 8 1 1 A 49 49 GLY HA3 H 49 3.503 3.719 -0.216 1
1 540 . 8 1 1 A 49 49 GLY C C 49 174.287 174.673 -0.386 1
1 541 . 8 1 1 A 49 49 GLY CA C 49 47.008 47.022 -0.014 1
1 542 . 8 1 1 A 49 49 GLY N N 49 118.890 115.801 3.089 1
1 543 . 8 1 1 A 50 50 GLU H H 50 8.920 8.594 0.326 1
1 544 . 8 1 1 A 50 50 GLU HA H 50 4.333 4.371 -0.038 1
1 549 . 8 1 1 A 50 50 GLU C C 50 176.000 175.244 0.756 1
1 550 . 8 1 1 A 50 50 GLU CA C 50 56.080 55.919 0.161 1
1 551 . 8 1 1 A 50 50 GLU CB C 50 30.022 29.865 0.157 1
1 553 . 8 1 1 A 50 50 GLU N N 50 125.280 125.800 -0.520 1
1 554 . 8 1 1 A 51 51 LEU H H 51 7.792 7.425 0.367 1
1 555 . 8 1 1 A 51 51 LEU HA H 51 4.635 4.898 -0.263 1
1 565 . 8 1 1 A 51 51 LEU C C 51 175.050 174.926 0.124 1
1 566 . 8 1 1 A 51 51 LEU CA C 51 54.074 53.595 0.479 1
1 567 . 8 1 1 A 51 51 LEU CB C 51 44.171 47.679 -3.508 1
1 571 . 8 1 1 A 51 51 LEU N N 51 121.706 120.554 1.152 1
1 572 . 8 1 1 A 52 52 GLU H H 52 8.165 8.678 -0.513 1
1 573 . 8 1 1 A 52 52 GLU HA H 52 5.476 5.036 0.440 1
1 578 . 8 1 1 A 52 52 GLU C C 52 176.062 175.256 0.806 1
1 579 . 8 1 1 A 52 52 GLU CA C 52 53.810 54.704 -0.894 1
1 580 . 8 1 1 A 52 52 GLU CB C 52 33.486 32.844 0.642 1
1 582 . 8 1 1 A 52 52 GLU N N 52 116.700 119.963 -3.263 1
1 583 . 8 1 1 A 53 53 GLY H H 53 8.091 8.627 -0.536 1
1 584 . 8 1 1 A 53 53 GLY HA2 H 53 3.882 4.451 -0.569 1
1 585 . 8 1 1 A 53 53 GLY HA3 H 53 3.730 4.506 -0.776 1
1 586 . 8 1 1 A 53 53 GLY C C 53 170.279 171.590 -1.311 1
1 587 . 8 1 1 A 53 53 GLY CA C 53 45.344 44.496 0.848 1
1 588 . 8 1 1 A 53 53 GLY N N 53 106.613 110.686 -4.073 1
1 589 . 8 1 1 A 54 54 TRP H H 54 8.595 9.020 -0.425 1
1 590 . 8 1 1 A 54 54 TRP HA H 54 5.348 5.526 -0.178 1
1 599 . 8 1 1 A 54 54 TRP C C 54 175.873 176.163 -0.290 1
1 600 . 8 1 1 A 54 54 TRP CA C 54 57.602 57.168 0.434 1
1 601 . 8 1 1 A 54 54 TRP CB C 54 31.176 30.189 0.987 1
1 607 . 8 1 1 A 54 54 TRP N N 54 120.550 120.873 -0.323 1
1 609 . 8 1 1 A 55 55 ALA H H 55 9.993 9.135 0.858 1
1 610 . 8 1 1 A 55 55 ALA HA H 55 4.978 4.315 0.663 1
1 614 . 8 1 1 A 55 55 ALA C C 55 173.642 174.680 -1.038 1
1 615 . 8 1 1 A 55 55 ALA CA C 55 49.335 49.027 0.308 1
1 616 . 8 1 1 A 55 55 ALA CB C 55 22.101 21.303 0.798 1
1 617 . 8 1 1 A 55 55 ALA N N 55 122.386 128.121 -5.735 1
1 618 . 8 1 1 A 56 56 PRO HA H 56 3.586 4.115 -0.529 1
1 625 . 8 1 1 A 56 56 PRO C C 56 178.765 177.089 1.676 1
1 626 . 8 1 1 A 56 56 PRO CA C 56 61.218 62.324 -1.106 1
1 627 . 8 1 1 A 56 56 PRO CB C 56 30.430 32.173 -1.743 1
1 630 . 8 1 1 A 57 57 SER H H 57 8.187 7.899 0.288 1
1 631 . 8 1 1 A 57 57 SER HA H 57 2.721 3.498 -0.777 1
1 634 . 8 1 1 A 57 57 SER C C 57 175.094 175.625 -0.531 1
1 635 . 8 1 1 A 57 57 SER CA C 57 60.865 59.657 1.208 1
1 636 . 8 1 1 A 57 57 SER CB C 57 60.645 61.681 -1.036 1
1 637 . 8 1 1 A 57 57 SER N N 57 120.088 119.205 0.883 1
1 638 . 8 1 1 A 58 58 HIS H H 58 7.482 7.493 -0.011 1
1 639 . 8 1 1 A 58 58 HIS HA H 58 4.433 4.181 0.252 1
1 644 . 8 1 1 A 58 58 HIS C C 58 175.763 177.328 -1.565 1
1 645 . 8 1 1 A 58 58 HIS CA C 58 56.938 59.484 -2.546 1
1 646 . 8 1 1 A 58 58 HIS CB C 58 28.597 30.157 -1.560 1
1 649 . 8 1 1 A 58 58 HIS N N 58 115.490 119.050 -3.560 1
1 650 . 8 1 1 A 59 59 TYR H H 59 7.251 7.612 -0.361 1
1 651 . 8 1 1 A 59 59 TYR HA H 59 4.366 4.271 0.095 1
1 658 . 8 1 1 A 59 59 TYR C C 59 173.874 175.979 -2.105 1
1 659 . 8 1 1 A 59 59 TYR CA C 59 58.862 60.433 -1.571 1
1 660 . 8 1 1 A 59 59 TYR CB C 59 36.586 39.098 -2.512 1
1 665 . 8 1 1 A 59 59 TYR N N 59 120.460 117.360 3.100 1
1 666 . 8 1 1 A 60 60 LEU H H 60 7.574 7.349 0.225 1
1 667 . 8 1 1 A 60 60 LEU HA H 60 4.964 4.569 0.395 1
1 677 . 8 1 1 A 60 60 LEU C C 60 175.663 176.410 -0.747 1
1 678 . 8 1 1 A 60 60 LEU CA C 60 53.709 54.225 -0.516 1
1 679 . 8 1 1 A 60 60 LEU CB C 60 42.879 43.053 -0.174 1
1 683 . 8 1 1 A 60 60 LEU N N 60 121.690 119.632 2.058 1
1 684 . 8 1 1 A 61 61 VAL H H 61 9.082 8.851 0.231 1
1 685 . 8 1 1 A 61 61 VAL HA H 61 4.309 4.883 -0.574 1
1 693 . 8 1 1 A 61 61 VAL C C 61 174.803 174.938 -0.135 1
1 694 . 8 1 1 A 61 61 VAL CA C 61 61.381 60.754 0.627 1
1 695 . 8 1 1 A 61 61 VAL CB C 61 33.607 33.688 -0.081 1
1 698 . 8 1 1 A 61 61 VAL N N 61 119.010 119.774 -0.764 1
1 699 . 8 1 1 A 62 62 LEU H H 62 8.307 9.139 -0.832 1
1 700 . 8 1 1 A 62 62 LEU HA H 62 4.288 5.160 -0.872 1
1 710 . 8 1 1 A 62 62 LEU C C 62 176.976 175.279 1.697 1
1 711 . 8 1 1 A 62 62 LEU CA C 62 54.807 53.918 0.889 1
1 712 . 8 1 1 A 62 62 LEU CB C 62 42.932 42.791 0.141 1
1 716 . 8 1 1 A 62 62 LEU N N 62 127.895 127.650 0.245 1
1 717 . 8 1 1 A 63 63 ASP H H 63 8.475 9.049 -0.574 1
1 718 . 8 1 1 A 63 63 ASP HA H 63 4.595 5.075 -0.480 1
1 721 . 8 1 1 A 63 63 ASP C C 63 176.269 175.206 1.063 1
1 722 . 8 1 1 A 63 63 ASP CA C 63 53.903 52.874 1.029 1
1 723 . 8 1 1 A 63 63 ASP CB C 63 41.618 40.658 0.960 1
1 724 . 8 1 1 A 63 63 ASP N N 63 122.904 125.261 -2.357 1
1 725 . 8 1 1 A 64 64 GLU H H 64 8.528 8.500 0.028 1
1 726 . 8 1 1 A 64 64 GLU HA H 64 4.220 4.742 -0.522 1
1 731 . 8 1 1 A 64 64 GLU C C 64 176.504 176.798 -0.294 1
1 732 . 8 1 1 A 64 64 GLU CA C 64 57.043 55.764 1.279 1
1 733 . 8 1 1 A 64 64 GLU CB C 64 30.214 30.345 -0.131 1
1 735 . 8 1 1 A 64 64 GLU N N 64 122.471 124.044 -1.573 1
1 736 . 8 1 1 A 65 65 ASN H H 65 8.523 8.334 0.189 1
1 737 . 8 1 1 A 65 65 ASN HA H 65 4.661 4.705 -0.044 1
1 742 . 8 1 1 A 65 65 ASN C C 65 175.223 175.491 -0.268 1
1 743 . 8 1 1 A 65 65 ASN CA C 65 53.674 55.021 -1.347 1
1 744 . 8 1 1 A 65 65 ASN CB C 65 39.088 39.944 -0.856 1
1 745 . 8 1 1 A 65 65 ASN N N 65 118.895 118.287 0.608 1
1 747 . 8 1 1 A 66 66 GLU H H 66 8.222 7.762 0.460 1
1 748 . 8 1 1 A 66 66 GLU HA H 66 4.293 4.617 -0.324 1
1 753 . 8 1 1 A 66 66 GLU C C 66 176.054 175.970 0.084 1
1 754 . 8 1 1 A 66 66 GLU CA C 66 56.432 55.772 0.660 1
1 755 . 8 1 1 A 66 66 GLU CB C 66 30.476 31.113 -0.637 1
1 757 . 8 1 1 A 66 66 GLU N N 66 120.919 119.039 1.880 1
1 758 . 8 1 1 A 67 67 GLN H H 67 8.293 8.415 -0.122 1
1 759 . 8 1 1 A 67 67 GLN HA H 67 4.582 4.262 0.320 1
1 766 . 8 1 1 A 67 67 GLN C C 67 173.836 175.346 -1.510 1
1 767 . 8 1 1 A 67 67 GLN CA C 67 53.593 55.172 -1.579 1
1 768 . 8 1 1 A 67 67 GLN CB C 67 28.949 28.749 0.200 1
1 770 . 8 1 1 A 67 67 GLN N N 67 122.295 125.022 -2.727 1
1 772 . 8 1 1 A 68 68 PRO HA H 68 4.401 4.511 -0.110 1
1 779 . 8 1 1 A 68 68 PRO CA C 68 62.882 62.799 0.083 1
1 780 . 8 1 1 A 68 68 PRO CB C 68 32.175 32.032 0.143 1
1 783 . 8 1 1 A 69 69 ASP H H 69 8.502 8.600 -0.098 1
1 784 . 8 1 1 A 69 69 ASP HA H 69 4.836 4.774 0.062 1
1 787 . 8 1 1 A 69 69 ASP CA C 69 51.945 52.031 -0.086 1
1 788 . 8 1 1 A 69 69 ASP CB C 69 41.305 41.799 -0.494 1
1 789 . 8 1 1 A 69 69 ASP N N 69 121.937 122.168 -0.231 1
1 790 . 8 1 1 A 70 70 PRO HA H 70 4.437 4.732 -0.295 1
1 797 . 8 1 1 A 70 70 PRO C C 70 177.484 176.113 1.371 1
1 798 . 8 1 1 A 70 70 PRO CA C 70 63.777 62.593 1.184 1
1 799 . 8 1 1 A 70 70 PRO CB C 70 32.027 30.554 1.473 1
1 802 . 8 1 1 A 71 71 SER H H 71 8.506 8.035 0.471 1
1 803 . 8 1 1 A 71 71 SER HA H 71 4.364 5.103 -0.739 1
1 806 . 8 1 1 A 71 71 SER C C 71 175.439 173.478 1.961 1
1 807 . 8 1 1 A 71 71 SER CA C 71 59.261 57.737 1.524 1
1 808 . 8 1 1 A 71 71 SER CB C 71 63.771 67.318 -3.547 1
1 809 . 8 1 1 A 71 71 SER N N 71 115.901 120.123 -4.222 1
1 810 . 8 1 1 A 72 72 GLY H H 72 8.258 8.330 -0.072 1
1 811 . 8 1 1 A 72 72 GLY HA2 H 72 3.958 3.981 -0.023 1
1 812 . 8 1 1 A 72 72 GLY HA3 H 72 3.958 3.982 -0.024 1
1 813 . 8 1 1 A 72 72 GLY C C 72 174.314 174.881 -0.567 1
1 814 . 8 1 1 A 72 72 GLY CA C 72 45.469 45.377 0.092 1
1 815 . 8 1 1 A 72 72 GLY N N 72 110.595 110.858 -0.263 1
1 816 . 8 1 1 A 73 73 LYS H H 73 8.052 8.411 -0.359 1
1 817 . 8 1 1 A 73 73 LYS HA H 73 4.305 4.279 0.026 1
1 826 . 8 1 1 A 73 73 LYS C C 73 176.792 175.632 1.160 1
1 827 . 8 1 1 A 73 73 LYS CA C 73 56.420 57.117 -0.697 1
1 828 . 8 1 1 A 73 73 LYS CB C 73 33.082 30.167 2.915 1
1 832 . 8 1 1 A 73 73 LYS N N 73 120.614 124.089 -3.475 1
1 833 . 8 1 1 A 74 74 GLU H H 74 8.559 7.854 0.705 1
1 834 . 8 1 1 A 74 74 GLU HA H 74 4.305 4.860 -0.555 1
1 839 . 8 1 1 A 74 74 GLU C C 74 176.648 176.054 0.594 1
1 840 . 8 1 1 A 74 74 GLU CA C 74 56.446 55.209 1.237 1
1 841 . 8 1 1 A 74 74 GLU CB C 74 30.215 31.744 -1.529 1
1 843 . 8 1 1 A 74 74 GLU N N 74 122.000 118.299 3.701 1
1 844 . 8 1 1 A 75 75 SER H H 75 8.364 8.637 -0.273 1
1 845 . 8 1 1 A 75 75 SER HA H 75 4.450 4.164 0.286 1
1 846 . 8 1 1 A 75 75 SER C C 75 174.540 174.602 -0.062 1
1 847 . 8 1 1 A 75 75 SER CA C 75 58.538 59.931 -1.393 1
1 848 . 8 1 1 A 75 75 SER CB C 75 63.977 63.524 0.453 1
1 849 . 8 1 1 A 75 75 SER N N 75 116.992 118.235 -1.243 1
1 850 . 8 1 1 A 76 76 GLY H H 76 8.243 8.345 -0.102 1
1 851 . 8 1 1 A 76 76 GLY HA2 H 76 4.157 4.229 -0.072 1
1 852 . 8 1 1 A 76 76 GLY HA3 H 76 4.058 4.232 -0.174 1
1 853 . 8 1 1 A 76 76 GLY CA C 76 44.680 45.595 -0.915 1
1 854 . 8 1 1 A 76 76 GLY N N 76 110.704 110.224 0.480 1
1 855 . 8 1 1 A 77 77 PRO HA H 77 4.463 4.673 -0.210 1
1 862 . 8 1 1 A 77 77 PRO C C 77 177.454 175.223 2.231 1
1 863 . 8 1 1 A 77 77 PRO CA C 77 63.202 62.503 0.699 1
1 864 . 8 1 1 A 77 77 PRO CB C 77 32.276 33.339 -1.063 1
1 867 . 8 1 1 A 78 78 SER H H 78 8.535 8.937 -0.402 1
1 870 . 8 1 1 A 78 78 SER C C 78 174.735 172.937 1.798 1
1 871 . 8 1 1 A 78 78 SER CA C 78 58.373 57.024 1.349 1
1 872 . 8 1 1 A 78 78 SER CB C 78 63.977 66.063 -2.086 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.494 4.651 -0.157 1
1 2 . 9 1 1 A 6 6 SER CA C 6 58.785 58.174 0.611 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.483 61.980 1.503 1
1 4 . 9 1 1 A 7 7 GLY H H 7 8.367 8.503 -0.136 1
1 5 . 9 1 1 A 7 7 GLY HA2 H 7 3.955 4.184 -0.229 1
1 6 . 9 1 1 A 7 7 GLY HA3 H 7 3.955 4.184 -0.229 1
1 7 . 9 1 1 A 7 7 GLY C C 7 173.640 172.324 1.316 1
1 8 . 9 1 1 A 7 7 GLY CA C 7 45.215 46.107 -0.892 1
1 9 . 9 1 1 A 7 7 GLY N N 7 110.787 113.239 -2.452 1
1 10 . 9 1 1 A 8 8 ALA H H 8 8.126 7.945 0.181 1
1 11 . 9 1 1 A 8 8 ALA HA H 8 4.458 5.076 -0.618 1
1 15 . 9 1 1 A 8 8 ALA C C 8 177.711 175.512 2.199 1
1 16 . 9 1 1 A 8 8 ALA CA C 8 52.493 50.935 1.558 1
1 17 . 9 1 1 A 8 8 ALA CB C 8 19.761 23.752 -3.991 1
1 18 . 9 1 1 A 8 8 ALA N N 8 123.680 122.749 0.931 1
1 19 . 9 1 1 A 9 9 THR H H 9 8.254 8.739 -0.485 1
1 20 . 9 1 1 A 9 9 THR HA H 9 4.527 5.053 -0.526 1
1 25 . 9 1 1 A 9 9 THR C C 9 174.050 173.039 1.011 1
1 26 . 9 1 1 A 9 9 THR CA C 9 61.874 61.388 0.486 1
1 27 . 9 1 1 A 9 9 THR CB C 9 70.580 71.775 -1.195 1
1 29 . 9 1 1 A 9 9 THR N N 9 113.196 113.799 -0.603 1
1 30 . 9 1 1 A 10 10 SER H H 10 8.264 8.863 -0.599 1
1 31 . 9 1 1 A 10 10 SER HA H 10 5.228 5.412 -0.184 1
1 34 . 9 1 1 A 10 10 SER C C 10 173.318 173.445 -0.127 1
1 35 . 9 1 1 A 10 10 SER CA C 10 58.404 58.138 0.266 1
1 36 . 9 1 1 A 10 10 SER CB C 10 64.098 64.069 0.029 1
1 37 . 9 1 1 A 10 10 SER N N 10 120.509 121.923 -1.414 1
1 38 . 9 1 1 A 11 11 TYR H H 11 8.957 9.561 -0.604 1
1 39 . 9 1 1 A 11 11 TYR HA H 11 4.793 5.270 -0.477 1
1 46 . 9 1 1 A 11 11 TYR C C 11 174.111 174.748 -0.637 1
1 47 . 9 1 1 A 11 11 TYR CA C 11 57.097 56.299 0.798 1
1 48 . 9 1 1 A 11 11 TYR CB C 11 43.764 42.880 0.884 1
1 53 . 9 1 1 A 11 11 TYR N N 11 124.069 124.538 -0.469 1
1 54 . 9 1 1 A 12 12 MET H H 12 8.985 8.706 0.279 1
1 55 . 9 1 1 A 12 12 MET HA H 12 5.463 5.319 0.144 1
1 63 . 9 1 1 A 12 12 MET C C 12 177.045 174.953 2.092 1
1 64 . 9 1 1 A 12 12 MET CA C 12 52.215 54.132 -1.917 1
1 65 . 9 1 1 A 12 12 MET CB C 12 33.195 35.534 -2.339 1
1 68 . 9 1 1 A 12 12 MET N N 12 118.428 119.775 -1.347 1
1 69 . 9 1 1 A 13 13 THR H H 13 9.132 8.522 0.610 1
1 70 . 9 1 1 A 13 13 THR HA H 13 4.872 4.795 0.077 1
1 75 . 9 1 1 A 13 13 THR C C 13 177.032 174.691 2.341 1
1 76 . 9 1 1 A 13 13 THR CA C 13 60.003 60.818 -0.815 1
1 77 . 9 1 1 A 13 13 THR CB C 13 69.597 69.942 -0.345 1
1 79 . 9 1 1 A 13 13 THR N N 13 113.981 113.549 0.432 1
1 80 . 9 1 1 A 14 14 CYS H H 14 9.504 8.760 0.744 1
1 81 . 9 1 1 A 14 14 CYS HA H 14 4.806 4.490 0.316 1
1 84 . 9 1 1 A 14 14 CYS C C 14 173.712 174.195 -0.483 1
1 85 . 9 1 1 A 14 14 CYS CA C 14 57.209 59.868 -2.659 1
1 86 . 9 1 1 A 14 14 CYS CB C 14 28.772 28.885 -0.113 1
1 87 . 9 1 1 A 14 14 CYS N N 14 122.485 121.205 1.280 1
1 88 . 9 1 1 A 15 15 SER H H 15 7.796 7.769 0.027 1
1 89 . 9 1 1 A 15 15 SER HA H 15 4.578 4.631 -0.053 1
1 92 . 9 1 1 A 15 15 SER C C 15 171.037 172.734 -1.697 1
1 93 . 9 1 1 A 15 15 SER CA C 15 56.858 57.123 -0.265 1
1 94 . 9 1 1 A 15 15 SER CB C 15 66.124 64.874 1.250 1
1 95 . 9 1 1 A 15 15 SER N N 15 116.311 113.837 2.474 1
1 96 . 9 1 1 A 16 16 ALA H H 16 8.398 8.468 -0.070 1
1 97 . 9 1 1 A 16 16 ALA HA H 16 4.582 5.066 -0.484 1
1 101 . 9 1 1 A 16 16 ALA C C 16 176.897 176.048 0.849 1
1 102 . 9 1 1 A 16 16 ALA CA C 16 52.085 51.406 0.679 1
1 103 . 9 1 1 A 16 16 ALA CB C 16 19.720 20.077 -0.357 1
1 104 . 9 1 1 A 16 16 ALA N N 16 124.071 125.188 -1.117 1
1 105 . 9 1 1 A 17 17 TYR H H 17 8.401 8.270 0.131 1
1 106 . 9 1 1 A 17 17 TYR HA H 17 4.384 4.960 -0.576 1
1 113 . 9 1 1 A 17 17 TYR C C 17 173.836 173.684 0.152 1
1 114 . 9 1 1 A 17 17 TYR CA C 17 57.801 56.654 1.147 1
1 115 . 9 1 1 A 17 17 TYR CB C 17 42.166 40.999 1.167 1
1 120 . 9 1 1 A 17 17 TYR N N 17 121.997 125.167 -3.170 1
1 121 . 9 1 1 A 18 18 GLN H H 18 6.844 8.276 -1.432 1
1 122 . 9 1 1 A 18 18 GLN HA H 18 4.318 4.608 -0.290 1
1 129 . 9 1 1 A 18 18 GLN C C 18 172.990 175.021 -2.031 1
1 130 . 9 1 1 A 18 18 GLN CA C 18 52.767 53.582 -0.815 1
1 131 . 9 1 1 A 18 18 GLN CB C 18 29.940 31.501 -1.561 1
1 133 . 9 1 1 A 18 18 GLN N N 18 127.603 127.203 0.400 1
1 135 . 9 1 1 A 19 19 LYS H H 19 8.155 8.362 -0.207 1
1 136 . 9 1 1 A 19 19 LYS HA H 19 4.130 4.703 -0.573 1
1 145 . 9 1 1 A 19 19 LYS C C 19 175.995 175.717 0.278 1
1 146 . 9 1 1 A 19 19 LYS CA C 19 56.489 55.833 0.656 1
1 147 . 9 1 1 A 19 19 LYS CB C 19 33.369 33.396 -0.027 1
1 151 . 9 1 1 A 19 19 LYS N N 19 123.114 123.942 -0.828 1
1 152 . 9 1 1 A 20 20 VAL H H 20 8.679 8.894 -0.215 1
1 153 . 9 1 1 A 20 20 VAL HA H 20 4.153 4.186 -0.033 1
1 161 . 9 1 1 A 20 20 VAL C C 20 176.493 175.249 1.244 1
1 162 . 9 1 1 A 20 20 VAL CA C 20 62.520 63.445 -0.925 1
1 163 . 9 1 1 A 20 20 VAL CB C 20 32.847 33.803 -0.956 1
1 166 . 9 1 1 A 20 20 VAL N N 20 120.106 120.438 -0.332 1
1 167 . 9 1 1 A 21 21 GLN H H 21 7.133 7.687 -0.554 1
1 168 . 9 1 1 A 21 21 GLN HA H 21 4.582 4.711 -0.129 1
1 175 . 9 1 1 A 21 21 GLN C C 21 177.019 176.658 0.361 1
1 176 . 9 1 1 A 21 21 GLN CA C 21 54.291 54.400 -0.109 1
1 177 . 9 1 1 A 21 21 GLN CB C 21 31.023 31.002 0.021 1
1 179 . 9 1 1 A 21 21 GLN N N 21 116.079 118.910 -2.831 1
1 181 . 9 1 1 A 22 22 ASP H H 22 8.858 8.997 -0.139 1
1 182 . 9 1 1 A 22 22 ASP HA H 22 4.318 4.373 -0.055 1
1 185 . 9 1 1 A 22 22 ASP C C 22 176.746 178.675 -1.929 1
1 186 . 9 1 1 A 22 22 ASP CA C 22 57.752 57.019 0.733 1
1 187 . 9 1 1 A 22 22 ASP CB C 22 40.859 40.419 0.440 1
1 188 . 9 1 1 A 22 22 ASP N N 22 120.173 122.817 -2.644 1
1 189 . 9 1 1 A 23 23 SER H H 23 7.860 8.136 -0.276 1
1 190 . 9 1 1 A 23 23 SER HA H 23 4.648 4.278 0.370 1
1 193 . 9 1 1 A 23 23 SER C C 23 175.526 175.590 -0.064 1
1 194 . 9 1 1 A 23 23 SER CA C 23 58.597 61.607 -3.010 1
1 195 . 9 1 1 A 23 23 SER CB C 23 62.993 63.230 -0.237 1
1 196 . 9 1 1 A 23 23 SER N N 23 110.013 115.453 -5.440 1
1 197 . 9 1 1 A 24 24 GLU H H 24 7.579 8.168 -0.589 1
1 198 . 9 1 1 A 24 24 GLU HA H 24 5.574 4.687 0.887 1
1 203 . 9 1 1 A 24 24 GLU C C 24 174.394 175.505 -1.111 1
1 204 . 9 1 1 A 24 24 GLU CA C 24 55.633 57.539 -1.906 1
1 205 . 9 1 1 A 24 24 GLU CB C 24 32.848 30.810 2.038 1
1 207 . 9 1 1 A 24 24 GLU N N 24 122.542 119.288 3.254 1
1 208 . 9 1 1 A 25 25 ILE H H 25 7.894 8.759 -0.865 1
1 209 . 9 1 1 A 25 25 ILE HA H 25 4.661 4.986 -0.325 1
1 219 . 9 1 1 A 25 25 ILE C C 25 171.519 174.242 -2.723 1
1 220 . 9 1 1 A 25 25 ILE CA C 25 58.838 59.470 -0.632 1
1 221 . 9 1 1 A 25 25 ILE CB C 25 42.673 42.249 0.424 1
1 225 . 9 1 1 A 25 25 ILE N N 25 117.944 123.265 -5.321 1
1 226 . 9 1 1 A 26 26 SER H H 26 7.535 9.138 -1.603 1
1 227 . 9 1 1 A 26 26 SER HA H 26 4.885 5.361 -0.476 1
1 230 . 9 1 1 A 26 26 SER C C 26 174.052 174.024 0.028 1
1 231 . 9 1 1 A 26 26 SER CA C 26 56.515 57.337 -0.822 1
1 232 . 9 1 1 A 26 26 SER CB C 26 65.131 64.906 0.225 1
1 233 . 9 1 1 A 26 26 SER N N 26 116.426 124.369 -7.943 1
1 234 . 9 1 1 A 27 27 PHE H H 27 8.271 8.373 -0.102 1
1 235 . 9 1 1 A 27 27 PHE HA H 27 4.934 5.292 -0.358 1
1 243 . 9 1 1 A 27 27 PHE C C 27 173.278 173.129 0.149 1
1 244 . 9 1 1 A 27 27 PHE CA C 27 53.758 54.881 -1.123 1
1 245 . 9 1 1 A 27 27 PHE CB C 27 37.379 41.787 -4.408 1
1 251 . 9 1 1 A 27 27 PHE N N 27 116.221 118.845 -2.624 1
1 252 . 9 1 1 A 28 28 PRO HA H 28 4.872 4.679 0.193 1
1 259 . 9 1 1 A 28 28 PRO C C 28 176.165 175.517 0.648 1
1 260 . 9 1 1 A 28 28 PRO CA C 28 61.019 62.526 -1.507 1
1 261 . 9 1 1 A 28 28 PRO CB C 28 32.410 32.906 -0.496 1
1 264 . 9 1 1 A 29 29 ALA H H 29 8.513 8.355 0.158 1
1 265 . 9 1 1 A 29 29 ALA HA H 29 3.822 4.650 -0.828 1
1 269 . 9 1 1 A 29 29 ALA C C 29 178.074 177.996 0.078 1
1 270 . 9 1 1 A 29 29 ALA CA C 29 52.670 52.513 0.157 1
1 271 . 9 1 1 A 29 29 ALA CB C 29 19.721 19.911 -0.190 1
1 272 . 9 1 1 A 29 29 ALA N N 29 120.286 124.064 -3.778 1
1 273 . 9 1 1 A 30 30 GLY H H 30 8.022 8.437 -0.415 1
1 274 . 9 1 1 A 30 30 GLY HA2 H 30 3.956 4.100 -0.144 1
1 275 . 9 1 1 A 30 30 GLY HA3 H 30 3.733 4.108 -0.375 1
1 276 . 9 1 1 A 30 30 GLY C C 30 174.944 173.696 1.248 1
1 277 . 9 1 1 A 30 30 GLY CA C 30 46.739 45.144 1.595 1
1 278 . 9 1 1 A 30 30 GLY N N 30 110.746 111.207 -0.461 1
1 279 . 9 1 1 A 31 31 VAL H H 31 7.736 7.525 0.211 1
1 280 . 9 1 1 A 31 31 VAL HA H 31 4.753 4.849 -0.096 1
1 288 . 9 1 1 A 31 31 VAL C C 31 173.642 175.231 -1.589 1
1 289 . 9 1 1 A 31 31 VAL CA C 31 58.809 59.122 -0.313 1
1 290 . 9 1 1 A 31 31 VAL CB C 31 34.719 35.789 -1.070 1
1 293 . 9 1 1 A 31 31 VAL N N 31 112.109 115.285 -3.176 1
1 294 . 9 1 1 A 32 32 GLU H H 32 8.264 8.611 -0.347 1
1 295 . 9 1 1 A 32 32 GLU HA H 32 5.090 4.761 0.329 1
1 300 . 9 1 1 A 32 32 GLU C C 32 176.725 176.083 0.642 1
1 301 . 9 1 1 A 32 32 GLU CA C 32 55.713 56.063 -0.350 1
1 302 . 9 1 1 A 32 32 GLU CB C 32 31.615 30.554 1.061 1
1 304 . 9 1 1 A 32 32 GLU N N 32 121.304 122.863 -1.559 1
1 305 . 9 1 1 A 33 33 VAL H H 33 9.136 8.906 0.230 1
1 306 . 9 1 1 A 33 33 VAL HA H 33 5.001 4.752 0.249 1
1 314 . 9 1 1 A 33 33 VAL C C 33 174.395 173.423 0.972 1
1 315 . 9 1 1 A 33 33 VAL CA C 33 58.765 59.151 -0.386 1
1 316 . 9 1 1 A 33 33 VAL CB C 33 34.596 35.958 -1.362 1
1 319 . 9 1 1 A 33 33 VAL N N 33 117.728 114.428 3.300 1
1 320 . 9 1 1 A 34 34 GLN H H 34 8.551 8.512 0.039 1
1 321 . 9 1 1 A 34 34 GLN HA H 34 5.052 4.775 0.277 1
1 328 . 9 1 1 A 34 34 GLN C C 34 175.752 174.705 1.047 1
1 329 . 9 1 1 A 34 34 GLN CA C 34 54.328 54.611 -0.283 1
1 330 . 9 1 1 A 34 34 GLN CB C 34 30.760 30.854 -0.094 1
1 332 . 9 1 1 A 34 34 GLN N N 34 119.032 122.636 -3.604 1
1 334 . 9 1 1 A 35 35 VAL H H 35 9.180 8.772 0.408 1
1 335 . 9 1 1 A 35 35 VAL HA H 35 4.144 3.982 0.162 1
1 343 . 9 1 1 A 35 35 VAL C C 35 175.602 175.292 0.310 1
1 344 . 9 1 1 A 35 35 VAL CA C 35 63.035 63.042 -0.007 1
1 345 . 9 1 1 A 35 35 VAL CB C 35 32.056 31.031 1.025 1
1 348 . 9 1 1 A 35 35 VAL N N 35 124.135 127.563 -3.428 1
1 349 . 9 1 1 A 36 36 LEU H H 36 9.175 8.927 0.248 1
1 350 . 9 1 1 A 36 36 LEU HA H 36 4.429 4.228 0.201 1
1 360 . 9 1 1 A 36 36 LEU C C 36 177.299 176.583 0.716 1
1 361 . 9 1 1 A 36 36 LEU CA C 36 55.785 56.960 -1.175 1
1 362 . 9 1 1 A 36 36 LEU CB C 36 42.924 42.646 0.278 1
1 366 . 9 1 1 A 36 36 LEU N N 36 129.320 129.528 -0.208 1
1 367 . 9 1 1 A 37 37 GLU H H 37 7.569 7.899 -0.330 1
1 368 . 9 1 1 A 37 37 GLU HA H 37 4.414 4.846 -0.432 1
1 373 . 9 1 1 A 37 37 GLU C C 37 174.132 174.209 -0.077 1
1 374 . 9 1 1 A 37 37 GLU CA C 37 56.244 54.574 1.670 1
1 375 . 9 1 1 A 37 37 GLU CB C 37 33.236 33.402 -0.166 1
1 377 . 9 1 1 A 37 37 GLU N N 37 116.925 115.111 1.814 1
1 378 . 9 1 1 A 38 38 LYS H H 38 8.693 8.556 0.137 1
1 379 . 9 1 1 A 38 38 LYS HA H 38 4.181 5.245 -1.064 1
1 388 . 9 1 1 A 38 38 LYS C C 38 175.877 175.258 0.619 1
1 389 . 9 1 1 A 38 38 LYS CA C 38 55.579 54.752 0.827 1
1 390 . 9 1 1 A 38 38 LYS CB C 38 34.965 35.980 -1.015 1
1 394 . 9 1 1 A 38 38 LYS N N 38 124.828 123.585 1.243 1
1 395 . 9 1 1 A 39 39 GLN H H 39 7.682 8.766 -1.084 1
1 396 . 9 1 1 A 39 39 GLN HA H 39 4.896 4.813 0.083 1
1 403 . 9 1 1 A 39 39 GLN C C 39 177.964 176.700 1.264 1
1 404 . 9 1 1 A 39 39 GLN CA C 39 55.324 54.669 0.655 1
1 405 . 9 1 1 A 39 39 GLN CB C 39 31.670 31.200 0.470 1
1 407 . 9 1 1 A 39 39 GLN N N 39 119.391 122.355 -2.964 1
1 409 . 9 1 1 A 40 40 GLU HA H 40 4.308 4.031 0.277 1
1 414 . 9 1 1 A 40 40 GLU C C 40 176.777 178.531 -1.754 1
1 415 . 9 1 1 A 40 40 GLU CA C 40 58.541 60.038 -1.497 1
1 416 . 9 1 1 A 40 40 GLU CB C 40 29.363 29.388 -0.025 1
1 418 . 9 1 1 A 41 41 SER H H 41 7.986 8.039 -0.053 1
1 419 . 9 1 1 A 41 41 SER HA H 41 4.413 4.334 0.079 1
1 422 . 9 1 1 A 41 41 SER C C 41 175.434 175.162 0.272 1
1 423 . 9 1 1 A 41 41 SER CA C 41 58.707 60.004 -1.297 1
1 424 . 9 1 1 A 41 41 SER CB C 41 63.871 64.176 -0.305 1
1 425 . 9 1 1 A 41 41 SER N N 41 113.216 113.178 0.038 1
1 426 . 9 1 1 A 42 42 GLY H H 42 8.135 7.846 0.289 1
1 427 . 9 1 1 A 42 42 GLY HA2 H 42 4.347 3.959 0.388 1
1 428 . 9 1 1 A 42 42 GLY HA3 H 42 3.625 4.037 -0.412 1
1 429 . 9 1 1 A 42 42 GLY C C 42 173.338 174.552 -1.214 1
1 430 . 9 1 1 A 42 42 GLY CA C 42 44.998 45.371 -0.373 1
1 431 . 9 1 1 A 42 42 GLY N N 42 108.513 109.672 -1.159 1
1 432 . 9 1 1 A 43 43 TRP H H 43 7.820 7.597 0.223 1
1 433 . 9 1 1 A 43 43 TRP HA H 43 4.942 4.582 0.360 1
1 442 . 9 1 1 A 43 43 TRP C C 43 174.648 176.664 -2.016 1
1 443 . 9 1 1 A 43 43 TRP CA C 43 57.245 58.182 -0.937 1
1 444 . 9 1 1 A 43 43 TRP CB C 43 30.102 29.561 0.541 1
1 450 . 9 1 1 A 43 43 TRP N N 43 122.320 120.755 1.565 1
1 452 . 9 1 1 A 44 44 TRP H H 44 9.769 9.296 0.473 1
1 453 . 9 1 1 A 44 44 TRP HA H 44 5.875 5.498 0.377 1
1 462 . 9 1 1 A 44 44 TRP C C 44 173.703 175.069 -1.366 1
1 463 . 9 1 1 A 44 44 TRP CA C 44 53.298 54.922 -1.624 1
1 464 . 9 1 1 A 44 44 TRP CB C 44 32.961 31.969 0.992 1
1 470 . 9 1 1 A 44 44 TRP N N 44 125.138 124.224 0.914 1
1 472 . 9 1 1 A 45 45 TYR H H 45 9.168 9.062 0.106 1
1 473 . 9 1 1 A 45 45 TYR HA H 45 4.173 4.357 -0.184 1
1 480 . 9 1 1 A 45 45 TYR C C 45 175.086 174.588 0.498 1
1 481 . 9 1 1 A 45 45 TYR CA C 45 58.044 56.492 1.552 1
1 482 . 9 1 1 A 45 45 TYR CB C 45 38.792 38.126 0.666 1
1 487 . 9 1 1 A 45 45 TYR N N 45 127.429 125.801 1.628 1
1 488 . 9 1 1 A 46 46 VAL H H 46 8.689 8.820 -0.131 1
1 489 . 9 1 1 A 46 46 VAL HA H 46 5.142 5.185 -0.043 1
1 497 . 9 1 1 A 46 46 VAL C C 46 172.384 173.608 -1.224 1
1 498 . 9 1 1 A 46 46 VAL CA C 46 59.010 59.562 -0.552 1
1 499 . 9 1 1 A 46 46 VAL CB C 46 35.502 34.048 1.454 1
1 502 . 9 1 1 A 46 46 VAL N N 46 124.245 122.148 2.097 1
1 503 . 9 1 1 A 47 47 ARG H H 47 9.049 8.542 0.507 1
1 504 . 9 1 1 A 47 47 ARG HA H 47 5.163 5.426 -0.263 1
1 512 . 9 1 1 A 47 47 ARG C C 47 175.057 173.993 1.064 1
1 513 . 9 1 1 A 47 47 ARG CA C 47 54.158 54.284 -0.126 1
1 514 . 9 1 1 A 47 47 ARG CB C 47 34.146 33.432 0.714 1
1 517 . 9 1 1 A 47 47 ARG N N 47 120.700 121.656 -0.956 1
1 519 . 9 1 1 A 48 48 PHE H H 48 9.042 9.071 -0.029 1
1 520 . 9 1 1 A 48 48 PHE HA H 48 5.296 4.762 0.534 1
1 528 . 9 1 1 A 48 48 PHE C C 48 175.133 175.645 -0.512 1
1 529 . 9 1 1 A 48 48 PHE CA C 48 54.446 57.269 -2.823 1
1 530 . 9 1 1 A 48 48 PHE CB C 48 40.369 41.026 -0.657 1
1 536 . 9 1 1 A 48 48 PHE N N 48 128.029 128.005 0.024 1
1 537 . 9 1 1 A 49 49 GLY H H 49 9.103 8.849 0.254 1
1 538 . 9 1 1 A 49 49 GLY HA2 H 49 3.644 3.596 0.048 1
1 539 . 9 1 1 A 49 49 GLY HA3 H 49 3.503 3.707 -0.204 1
1 540 . 9 1 1 A 49 49 GLY C C 49 174.287 174.548 -0.261 1
1 541 . 9 1 1 A 49 49 GLY CA C 49 47.008 47.148 -0.140 1
1 542 . 9 1 1 A 49 49 GLY N N 49 118.890 116.024 2.866 1
1 543 . 9 1 1 A 50 50 GLU H H 50 8.920 8.665 0.255 1
1 544 . 9 1 1 A 50 50 GLU HA H 50 4.333 4.518 -0.185 1
1 549 . 9 1 1 A 50 50 GLU C C 50 176.000 174.932 1.068 1
1 550 . 9 1 1 A 50 50 GLU CA C 50 56.080 55.478 0.602 1
1 551 . 9 1 1 A 50 50 GLU CB C 50 30.022 30.445 -0.423 1
1 553 . 9 1 1 A 50 50 GLU N N 50 125.280 125.837 -0.557 1
1 554 . 9 1 1 A 51 51 LEU H H 51 7.792 7.518 0.274 1
1 555 . 9 1 1 A 51 51 LEU HA H 51 4.635 4.906 -0.271 1
1 565 . 9 1 1 A 51 51 LEU C C 51 175.050 175.003 0.047 1
1 566 . 9 1 1 A 51 51 LEU CA C 51 54.074 53.556 0.518 1
1 567 . 9 1 1 A 51 51 LEU CB C 51 44.171 47.466 -3.295 1
1 571 . 9 1 1 A 51 51 LEU N N 51 121.706 120.952 0.754 1
1 572 . 9 1 1 A 52 52 GLU H H 52 8.165 8.695 -0.530 1
1 573 . 9 1 1 A 52 52 GLU HA H 52 5.476 5.208 0.268 1
1 578 . 9 1 1 A 52 52 GLU C C 52 176.062 175.022 1.040 1
1 579 . 9 1 1 A 52 52 GLU CA C 52 53.810 54.633 -0.823 1
1 580 . 9 1 1 A 52 52 GLU CB C 52 33.486 32.306 1.180 1
1 582 . 9 1 1 A 52 52 GLU N N 52 116.700 119.842 -3.142 1
1 583 . 9 1 1 A 53 53 GLY H H 53 8.091 8.660 -0.569 1
1 584 . 9 1 1 A 53 53 GLY HA2 H 53 3.882 4.482 -0.600 1
1 585 . 9 1 1 A 53 53 GLY HA3 H 53 3.730 4.591 -0.861 1
1 586 . 9 1 1 A 53 53 GLY C C 53 170.279 171.754 -1.475 1
1 587 . 9 1 1 A 53 53 GLY CA C 53 45.344 44.191 1.153 1
1 588 . 9 1 1 A 53 53 GLY N N 53 106.613 111.765 -5.152 1
1 589 . 9 1 1 A 54 54 TRP H H 54 8.595 9.004 -0.409 1
1 590 . 9 1 1 A 54 54 TRP HA H 54 5.348 5.621 -0.273 1
1 599 . 9 1 1 A 54 54 TRP C C 54 175.873 176.652 -0.779 1
1 600 . 9 1 1 A 54 54 TRP CA C 54 57.602 57.222 0.380 1
1 601 . 9 1 1 A 54 54 TRP CB C 54 31.176 30.556 0.620 1
1 607 . 9 1 1 A 54 54 TRP N N 54 120.550 121.030 -0.480 1
1 609 . 9 1 1 A 55 55 ALA H H 55 9.993 9.634 0.359 1
1 610 . 9 1 1 A 55 55 ALA HA H 55 4.978 4.577 0.401 1
1 614 . 9 1 1 A 55 55 ALA C C 55 173.642 174.571 -0.929 1
1 615 . 9 1 1 A 55 55 ALA CA C 55 49.335 49.098 0.237 1
1 616 . 9 1 1 A 55 55 ALA CB C 55 22.101 21.443 0.658 1
1 617 . 9 1 1 A 55 55 ALA N N 55 122.386 127.600 -5.214 1
1 618 . 9 1 1 A 56 56 PRO HA H 56 3.586 4.102 -0.516 1
1 625 . 9 1 1 A 56 56 PRO C C 56 178.765 177.454 1.311 1
1 626 . 9 1 1 A 56 56 PRO CA C 56 61.218 62.178 -0.960 1
1 627 . 9 1 1 A 56 56 PRO CB C 56 30.430 31.544 -1.114 1
1 630 . 9 1 1 A 57 57 SER H H 57 8.187 7.969 0.218 1
1 631 . 9 1 1 A 57 57 SER HA H 57 2.721 3.491 -0.770 1
1 634 . 9 1 1 A 57 57 SER C C 57 175.094 176.002 -0.908 1
1 635 . 9 1 1 A 57 57 SER CA C 57 60.865 59.462 1.403 1
1 636 . 9 1 1 A 57 57 SER CB C 57 60.645 61.068 -0.423 1
1 637 . 9 1 1 A 57 57 SER N N 57 120.088 119.612 0.476 1
1 638 . 9 1 1 A 58 58 HIS H H 58 7.482 7.241 0.241 1
1 639 . 9 1 1 A 58 58 HIS HA H 58 4.433 4.083 0.350 1
1 644 . 9 1 1 A 58 58 HIS C C 58 175.763 177.361 -1.598 1
1 645 . 9 1 1 A 58 58 HIS CA C 58 56.938 59.436 -2.498 1
1 646 . 9 1 1 A 58 58 HIS CB C 58 28.597 29.850 -1.253 1
1 649 . 9 1 1 A 58 58 HIS N N 58 115.490 118.916 -3.426 1
1 650 . 9 1 1 A 59 59 TYR H H 59 7.251 7.782 -0.531 1
1 651 . 9 1 1 A 59 59 TYR HA H 59 4.366 4.285 0.081 1
1 658 . 9 1 1 A 59 59 TYR C C 59 173.874 176.194 -2.320 1
1 659 . 9 1 1 A 59 59 TYR CA C 59 58.862 60.216 -1.354 1
1 660 . 9 1 1 A 59 59 TYR CB C 59 36.586 39.282 -2.696 1
1 665 . 9 1 1 A 59 59 TYR N N 59 120.460 116.665 3.795 1
1 666 . 9 1 1 A 60 60 LEU H H 60 7.574 6.831 0.743 1
1 667 . 9 1 1 A 60 60 LEU HA H 60 4.964 4.237 0.727 1
1 677 . 9 1 1 A 60 60 LEU C C 60 175.663 176.313 -0.650 1
1 678 . 9 1 1 A 60 60 LEU CA C 60 53.709 55.016 -1.307 1
1 679 . 9 1 1 A 60 60 LEU CB C 60 42.879 42.544 0.335 1
1 683 . 9 1 1 A 60 60 LEU N N 60 121.690 120.227 1.463 1
1 684 . 9 1 1 A 61 61 VAL H H 61 9.082 8.966 0.116 1
1 685 . 9 1 1 A 61 61 VAL HA H 61 4.309 4.739 -0.430 1
1 693 . 9 1 1 A 61 61 VAL C C 61 174.803 174.820 -0.017 1
1 694 . 9 1 1 A 61 61 VAL CA C 61 61.381 61.470 -0.089 1
1 695 . 9 1 1 A 61 61 VAL CB C 61 33.607 33.196 0.411 1
1 698 . 9 1 1 A 61 61 VAL N N 61 119.010 123.950 -4.940 1
1 699 . 9 1 1 A 62 62 LEU H H 62 8.307 8.801 -0.494 1
1 700 . 9 1 1 A 62 62 LEU HA H 62 4.288 4.889 -0.601 1
1 710 . 9 1 1 A 62 62 LEU C C 62 176.976 176.299 0.677 1
1 711 . 9 1 1 A 62 62 LEU CA C 62 54.807 54.071 0.736 1
1 712 . 9 1 1 A 62 62 LEU CB C 62 42.932 41.459 1.473 1
1 716 . 9 1 1 A 62 62 LEU N N 62 127.895 128.414 -0.519 1
1 717 . 9 1 1 A 63 63 ASP H H 63 8.475 9.081 -0.606 1
1 718 . 9 1 1 A 63 63 ASP HA H 63 4.595 4.235 0.360 1
1 721 . 9 1 1 A 63 63 ASP C C 63 176.269 175.770 0.499 1
1 722 . 9 1 1 A 63 63 ASP CA C 63 53.903 55.271 -1.368 1
1 723 . 9 1 1 A 63 63 ASP CB C 63 41.618 38.751 2.867 1
1 724 . 9 1 1 A 63 63 ASP N N 63 122.904 125.344 -2.440 1
1 725 . 9 1 1 A 64 64 GLU H H 64 8.528 7.990 0.538 1
1 726 . 9 1 1 A 64 64 GLU HA H 64 4.220 4.245 -0.025 1
1 731 . 9 1 1 A 64 64 GLU C C 64 176.504 176.449 0.055 1
1 732 . 9 1 1 A 64 64 GLU CA C 64 57.043 58.505 -1.462 1
1 733 . 9 1 1 A 64 64 GLU CB C 64 30.214 30.705 -0.491 1
1 735 . 9 1 1 A 64 64 GLU N N 64 122.471 118.140 4.331 1
1 736 . 9 1 1 A 65 65 ASN H H 65 8.523 7.760 0.763 1
1 737 . 9 1 1 A 65 65 ASN HA H 65 4.661 5.209 -0.548 1
1 742 . 9 1 1 A 65 65 ASN C C 65 175.223 174.051 1.172 1
1 743 . 9 1 1 A 65 65 ASN CA C 65 53.674 52.535 1.139 1
1 744 . 9 1 1 A 65 65 ASN CB C 65 39.088 40.339 -1.251 1
1 745 . 9 1 1 A 65 65 ASN N N 65 118.895 117.868 1.027 1
1 747 . 9 1 1 A 66 66 GLU H H 66 8.222 8.820 -0.598 1
1 748 . 9 1 1 A 66 66 GLU HA H 66 4.293 4.875 -0.582 1
1 753 . 9 1 1 A 66 66 GLU C C 66 176.054 174.969 1.085 1
1 754 . 9 1 1 A 66 66 GLU CA C 66 56.432 55.060 1.372 1
1 755 . 9 1 1 A 66 66 GLU CB C 66 30.476 32.391 -1.915 1
1 757 . 9 1 1 A 66 66 GLU N N 66 120.919 122.912 -1.993 1
1 758 . 9 1 1 A 67 67 GLN H H 67 8.293 8.441 -0.148 1
1 759 . 9 1 1 A 67 67 GLN HA H 67 4.582 4.423 0.159 1
1 766 . 9 1 1 A 67 67 GLN C C 67 173.836 175.089 -1.253 1
1 767 . 9 1 1 A 67 67 GLN CA C 67 53.593 54.675 -1.082 1
1 768 . 9 1 1 A 67 67 GLN CB C 67 28.949 28.881 0.068 1
1 770 . 9 1 1 A 67 67 GLN N N 67 122.295 119.571 2.724 1
1 772 . 9 1 1 A 68 68 PRO HA H 68 4.401 4.716 -0.315 1
1 779 . 9 1 1 A 68 68 PRO CA C 68 62.882 62.751 0.131 1
1 780 . 9 1 1 A 68 68 PRO CB C 68 32.175 30.756 1.419 1
1 783 . 9 1 1 A 69 69 ASP H H 69 8.502 8.588 -0.086 1
1 784 . 9 1 1 A 69 69 ASP HA H 69 4.836 4.980 -0.144 1
1 787 . 9 1 1 A 69 69 ASP CA C 69 51.945 51.408 0.537 1
1 788 . 9 1 1 A 69 69 ASP CB C 69 41.305 44.255 -2.950 1
1 789 . 9 1 1 A 69 69 ASP N N 69 121.937 123.276 -1.339 1
1 790 . 9 1 1 A 70 70 PRO HA H 70 4.437 4.704 -0.267 1
1 797 . 9 1 1 A 70 70 PRO C C 70 177.484 176.444 1.040 1
1 798 . 9 1 1 A 70 70 PRO CA C 70 63.777 62.284 1.493 1
1 799 . 9 1 1 A 70 70 PRO CB C 70 32.027 30.099 1.928 1
1 802 . 9 1 1 A 71 71 SER H H 71 8.506 8.334 0.172 1
1 803 . 9 1 1 A 71 71 SER HA H 71 4.364 4.407 -0.043 1
1 806 . 9 1 1 A 71 71 SER C C 71 175.439 174.870 0.569 1
1 807 . 9 1 1 A 71 71 SER CA C 71 59.261 58.797 0.464 1
1 808 . 9 1 1 A 71 71 SER CB C 71 63.771 64.250 -0.479 1
1 809 . 9 1 1 A 71 71 SER N N 71 115.901 119.442 -3.541 1
1 810 . 9 1 1 A 72 72 GLY H H 72 8.258 8.211 0.047 1
1 811 . 9 1 1 A 72 72 GLY HA2 H 72 3.958 4.036 -0.078 1
1 812 . 9 1 1 A 72 72 GLY HA3 H 72 3.958 4.038 -0.080 1
1 813 . 9 1 1 A 72 72 GLY C C 72 174.314 174.281 0.033 1
1 814 . 9 1 1 A 72 72 GLY CA C 72 45.469 45.707 -0.238 1
1 815 . 9 1 1 A 72 72 GLY N N 72 110.595 112.230 -1.635 1
1 816 . 9 1 1 A 73 73 LYS H H 73 8.052 7.556 0.496 1
1 817 . 9 1 1 A 73 73 LYS HA H 73 4.305 4.361 -0.056 1
1 826 . 9 1 1 A 73 73 LYS C C 73 176.792 175.773 1.019 1
1 827 . 9 1 1 A 73 73 LYS CA C 73 56.420 56.588 -0.168 1
1 828 . 9 1 1 A 73 73 LYS CB C 73 33.082 33.567 -0.485 1
1 832 . 9 1 1 A 73 73 LYS N N 73 120.614 119.443 1.171 1
1 833 . 9 1 1 A 74 74 GLU H H 74 8.559 8.805 -0.246 1
1 834 . 9 1 1 A 74 74 GLU HA H 74 4.305 4.974 -0.669 1
1 839 . 9 1 1 A 74 74 GLU C C 74 176.648 176.096 0.552 1
1 840 . 9 1 1 A 74 74 GLU CA C 74 56.446 54.677 1.769 1
1 841 . 9 1 1 A 74 74 GLU CB C 74 30.215 33.006 -2.791 1
1 843 . 9 1 1 A 74 74 GLU N N 74 122.000 121.929 0.071 1
1 844 . 9 1 1 A 75 75 SER H H 75 8.364 8.537 -0.173 1
1 845 . 9 1 1 A 75 75 SER HA H 75 4.450 4.742 -0.292 1
1 846 . 9 1 1 A 75 75 SER C C 75 174.540 174.606 -0.066 1
1 847 . 9 1 1 A 75 75 SER CA C 75 58.538 58.246 0.292 1
1 848 . 9 1 1 A 75 75 SER CB C 75 63.977 64.607 -0.630 1
1 849 . 9 1 1 A 75 75 SER N N 75 116.992 117.118 -0.126 1
1 850 . 9 1 1 A 76 76 GLY H H 76 8.243 8.007 0.236 1
1 851 . 9 1 1 A 76 76 GLY HA2 H 76 4.157 4.137 0.020 1
1 852 . 9 1 1 A 76 76 GLY HA3 H 76 4.058 4.138 -0.080 1
1 853 . 9 1 1 A 76 76 GLY CA C 76 44.680 44.906 -0.226 1
1 854 . 9 1 1 A 76 76 GLY N N 76 110.704 111.013 -0.309 1
1 855 . 9 1 1 A 77 77 PRO HA H 77 4.463 4.602 -0.139 1
1 862 . 9 1 1 A 77 77 PRO C C 77 177.454 175.812 1.642 1
1 863 . 9 1 1 A 77 77 PRO CA C 77 63.202 62.714 0.488 1
1 864 . 9 1 1 A 77 77 PRO CB C 77 32.276 32.560 -0.284 1
1 867 . 9 1 1 A 78 78 SER H H 78 8.535 8.509 0.026 1
1 870 . 9 1 1 A 78 78 SER C C 78 174.735 175.311 -0.576 1
1 871 . 9 1 1 A 78 78 SER CA C 78 58.373 56.328 2.045 1
1 872 . 9 1 1 A 78 78 SER CB C 78 63.977 65.517 -1.540 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.494 4.792 -0.298 1
1 2 . 10 1 1 A 6 6 SER CA C 6 58.785 57.123 1.662 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.483 63.955 -0.472 1
1 4 . 10 1 1 A 7 7 GLY H H 7 8.367 8.118 0.249 1
1 5 . 10 1 1 A 7 7 GLY HA2 H 7 3.955 4.129 -0.174 1
1 6 . 10 1 1 A 7 7 GLY HA3 H 7 3.955 4.131 -0.176 1
1 7 . 10 1 1 A 7 7 GLY C C 7 173.640 173.269 0.371 1
1 8 . 10 1 1 A 7 7 GLY CA C 7 45.215 44.052 1.163 1
1 9 . 10 1 1 A 7 7 GLY N N 7 110.787 109.649 1.138 1
1 10 . 10 1 1 A 8 8 ALA H H 8 8.126 8.166 -0.040 1
1 11 . 10 1 1 A 8 8 ALA HA H 8 4.458 4.328 0.130 1
1 15 . 10 1 1 A 8 8 ALA C C 8 177.711 176.957 0.754 1
1 16 . 10 1 1 A 8 8 ALA CA C 8 52.493 51.869 0.624 1
1 17 . 10 1 1 A 8 8 ALA CB C 8 19.761 19.755 0.006 1
1 18 . 10 1 1 A 8 8 ALA N N 8 123.680 121.557 2.123 1
1 19 . 10 1 1 A 9 9 THR H H 9 8.254 8.712 -0.458 1
1 20 . 10 1 1 A 9 9 THR HA H 9 4.527 4.987 -0.460 1
1 25 . 10 1 1 A 9 9 THR C C 9 174.050 173.705 0.345 1
1 26 . 10 1 1 A 9 9 THR CA C 9 61.874 61.443 0.431 1
1 27 . 10 1 1 A 9 9 THR CB C 9 70.580 71.620 -1.040 1
1 29 . 10 1 1 A 9 9 THR N N 9 113.196 114.197 -1.001 1
1 30 . 10 1 1 A 10 10 SER H H 10 8.264 8.939 -0.675 1
1 31 . 10 1 1 A 10 10 SER HA H 10 5.228 5.490 -0.262 1
1 34 . 10 1 1 A 10 10 SER C C 10 173.318 173.643 -0.325 1
1 35 . 10 1 1 A 10 10 SER CA C 10 58.404 57.264 1.140 1
1 36 . 10 1 1 A 10 10 SER CB C 10 64.098 64.576 -0.478 1
1 37 . 10 1 1 A 10 10 SER N N 10 120.509 120.660 -0.151 1
1 38 . 10 1 1 A 11 11 TYR H H 11 8.957 9.004 -0.047 1
1 39 . 10 1 1 A 11 11 TYR HA H 11 4.793 5.162 -0.369 1
1 46 . 10 1 1 A 11 11 TYR C C 11 174.111 174.842 -0.731 1
1 47 . 10 1 1 A 11 11 TYR CA C 11 57.097 56.564 0.533 1
1 48 . 10 1 1 A 11 11 TYR CB C 11 43.764 42.654 1.110 1
1 53 . 10 1 1 A 11 11 TYR N N 11 124.069 122.286 1.783 1
1 54 . 10 1 1 A 12 12 MET H H 12 8.985 9.122 -0.137 1
1 55 . 10 1 1 A 12 12 MET HA H 12 5.463 5.241 0.222 1
1 63 . 10 1 1 A 12 12 MET C C 12 177.045 175.441 1.604 1
1 64 . 10 1 1 A 12 12 MET CA C 12 52.215 54.202 -1.987 1
1 65 . 10 1 1 A 12 12 MET CB C 12 33.195 34.773 -1.578 1
1 68 . 10 1 1 A 12 12 MET N N 12 118.428 120.364 -1.936 1
1 69 . 10 1 1 A 13 13 THR H H 13 9.132 8.803 0.329 1
1 70 . 10 1 1 A 13 13 THR HA H 13 4.872 4.569 0.303 1
1 75 . 10 1 1 A 13 13 THR C C 13 177.032 174.672 2.360 1
1 76 . 10 1 1 A 13 13 THR CA C 13 60.003 62.126 -2.123 1
1 77 . 10 1 1 A 13 13 THR CB C 13 69.597 69.808 -0.211 1
1 79 . 10 1 1 A 13 13 THR N N 13 113.981 115.577 -1.596 1
1 80 . 10 1 1 A 14 14 CYS H H 14 9.504 8.842 0.662 1
1 81 . 10 1 1 A 14 14 CYS HA H 14 4.806 4.486 0.320 1
1 84 . 10 1 1 A 14 14 CYS C C 14 173.712 174.004 -0.292 1
1 85 . 10 1 1 A 14 14 CYS CA C 14 57.209 59.762 -2.553 1
1 86 . 10 1 1 A 14 14 CYS CB C 14 28.772 28.884 -0.112 1
1 87 . 10 1 1 A 14 14 CYS N N 14 122.485 121.936 0.549 1
1 88 . 10 1 1 A 15 15 SER H H 15 7.796 7.767 0.029 1
1 89 . 10 1 1 A 15 15 SER HA H 15 4.578 4.777 -0.199 1
1 92 . 10 1 1 A 15 15 SER C C 15 171.037 172.610 -1.573 1
1 93 . 10 1 1 A 15 15 SER CA C 15 56.858 57.896 -1.038 1
1 94 . 10 1 1 A 15 15 SER CB C 15 66.124 67.462 -1.338 1
1 95 . 10 1 1 A 15 15 SER N N 15 116.311 114.310 2.001 1
1 96 . 10 1 1 A 16 16 ALA H H 16 8.398 8.462 -0.064 1
1 97 . 10 1 1 A 16 16 ALA HA H 16 4.582 4.789 -0.207 1
1 101 . 10 1 1 A 16 16 ALA C C 16 176.897 175.932 0.965 1
1 102 . 10 1 1 A 16 16 ALA CA C 16 52.085 51.298 0.787 1
1 103 . 10 1 1 A 16 16 ALA CB C 16 19.720 19.869 -0.149 1
1 104 . 10 1 1 A 16 16 ALA N N 16 124.071 125.552 -1.481 1
1 105 . 10 1 1 A 17 17 TYR H H 17 8.401 7.918 0.483 1
1 106 . 10 1 1 A 17 17 TYR HA H 17 4.384 4.900 -0.516 1
1 113 . 10 1 1 A 17 17 TYR C C 17 173.836 173.798 0.038 1
1 114 . 10 1 1 A 17 17 TYR CA C 17 57.801 56.917 0.884 1
1 115 . 10 1 1 A 17 17 TYR CB C 17 42.166 39.660 2.506 1
1 120 . 10 1 1 A 17 17 TYR N N 17 121.997 126.204 -4.207 1
1 121 . 10 1 1 A 18 18 GLN H H 18 6.844 8.200 -1.356 1
1 122 . 10 1 1 A 18 18 GLN HA H 18 4.318 4.422 -0.104 1
1 129 . 10 1 1 A 18 18 GLN C C 18 172.990 174.923 -1.933 1
1 130 . 10 1 1 A 18 18 GLN CA C 18 52.767 54.840 -2.073 1
1 131 . 10 1 1 A 18 18 GLN CB C 18 29.940 30.044 -0.104 1
1 133 . 10 1 1 A 18 18 GLN N N 18 127.603 128.312 -0.709 1
1 135 . 10 1 1 A 19 19 LYS H H 19 8.155 8.251 -0.096 1
1 136 . 10 1 1 A 19 19 LYS HA H 19 4.130 4.233 -0.103 1
1 145 . 10 1 1 A 19 19 LYS C C 19 175.995 175.572 0.423 1
1 146 . 10 1 1 A 19 19 LYS CA C 19 56.489 56.455 0.034 1
1 147 . 10 1 1 A 19 19 LYS CB C 19 33.369 33.108 0.261 1
1 151 . 10 1 1 A 19 19 LYS N N 19 123.114 124.161 -1.047 1
1 152 . 10 1 1 A 20 20 VAL H H 20 8.679 8.567 0.112 1
1 153 . 10 1 1 A 20 20 VAL HA H 20 4.153 4.227 -0.074 1
1 161 . 10 1 1 A 20 20 VAL C C 20 176.493 174.931 1.562 1
1 162 . 10 1 1 A 20 20 VAL CA C 20 62.520 62.560 -0.040 1
1 163 . 10 1 1 A 20 20 VAL CB C 20 32.847 34.360 -1.513 1
1 166 . 10 1 1 A 20 20 VAL N N 20 120.106 120.076 0.030 1
1 167 . 10 1 1 A 21 21 GLN H H 21 7.133 7.348 -0.215 1
1 168 . 10 1 1 A 21 21 GLN HA H 21 4.582 4.706 -0.124 1
1 175 . 10 1 1 A 21 21 GLN C C 21 177.019 175.962 1.057 1
1 176 . 10 1 1 A 21 21 GLN CA C 21 54.291 54.255 0.036 1
1 177 . 10 1 1 A 21 21 GLN CB C 21 31.023 31.711 -0.688 1
1 179 . 10 1 1 A 21 21 GLN N N 21 116.079 118.873 -2.794 1
1 181 . 10 1 1 A 22 22 ASP H H 22 8.858 9.133 -0.275 1
1 182 . 10 1 1 A 22 22 ASP HA H 22 4.318 4.324 -0.006 1
1 185 . 10 1 1 A 22 22 ASP C C 22 176.746 178.639 -1.893 1
1 186 . 10 1 1 A 22 22 ASP CA C 22 57.752 57.207 0.545 1
1 187 . 10 1 1 A 22 22 ASP CB C 22 40.859 40.247 0.612 1
1 188 . 10 1 1 A 22 22 ASP N N 22 120.173 123.124 -2.951 1
1 189 . 10 1 1 A 23 23 SER H H 23 7.860 8.125 -0.265 1
1 190 . 10 1 1 A 23 23 SER HA H 23 4.648 4.256 0.392 1
1 193 . 10 1 1 A 23 23 SER C C 23 175.526 175.608 -0.082 1
1 194 . 10 1 1 A 23 23 SER CA C 23 58.597 61.609 -3.012 1
1 195 . 10 1 1 A 23 23 SER CB C 23 62.993 63.185 -0.192 1
1 196 . 10 1 1 A 23 23 SER N N 23 110.013 115.571 -5.558 1
1 197 . 10 1 1 A 24 24 GLU H H 24 7.579 8.217 -0.638 1
1 198 . 10 1 1 A 24 24 GLU HA H 24 5.574 4.686 0.888 1
1 203 . 10 1 1 A 24 24 GLU C C 24 174.394 175.247 -0.853 1
1 204 . 10 1 1 A 24 24 GLU CA C 24 55.633 57.597 -1.964 1
1 205 . 10 1 1 A 24 24 GLU CB C 24 32.848 30.829 2.019 1
1 207 . 10 1 1 A 24 24 GLU N N 24 122.542 119.297 3.245 1
1 208 . 10 1 1 A 25 25 ILE H H 25 7.894 8.747 -0.853 1
1 209 . 10 1 1 A 25 25 ILE HA H 25 4.661 5.109 -0.448 1
1 219 . 10 1 1 A 25 25 ILE C C 25 171.519 174.760 -3.241 1
1 220 . 10 1 1 A 25 25 ILE CA C 25 58.838 59.401 -0.563 1
1 221 . 10 1 1 A 25 25 ILE CB C 25 42.673 42.298 0.375 1
1 225 . 10 1 1 A 25 25 ILE N N 25 117.944 123.144 -5.200 1
1 226 . 10 1 1 A 26 26 SER H H 26 7.535 9.170 -1.635 1
1 227 . 10 1 1 A 26 26 SER HA H 26 4.885 5.409 -0.524 1
1 230 . 10 1 1 A 26 26 SER C C 26 174.052 174.082 -0.030 1
1 231 . 10 1 1 A 26 26 SER CA C 26 56.515 57.463 -0.948 1
1 232 . 10 1 1 A 26 26 SER CB C 26 65.131 64.898 0.233 1
1 233 . 10 1 1 A 26 26 SER N N 26 116.426 124.363 -7.937 1
1 234 . 10 1 1 A 27 27 PHE H H 27 8.271 8.454 -0.183 1
1 235 . 10 1 1 A 27 27 PHE HA H 27 4.934 5.181 -0.247 1
1 243 . 10 1 1 A 27 27 PHE C C 27 173.278 173.114 0.164 1
1 244 . 10 1 1 A 27 27 PHE CA C 27 53.758 54.840 -1.082 1
1 245 . 10 1 1 A 27 27 PHE CB C 27 37.379 41.843 -4.464 1
1 251 . 10 1 1 A 27 27 PHE N N 27 116.221 118.811 -2.590 1
1 252 . 10 1 1 A 28 28 PRO HA H 28 4.872 4.656 0.216 1
1 259 . 10 1 1 A 28 28 PRO C C 28 176.165 175.738 0.427 1
1 260 . 10 1 1 A 28 28 PRO CA C 28 61.019 62.458 -1.439 1
1 261 . 10 1 1 A 28 28 PRO CB C 28 32.410 32.857 -0.447 1
1 264 . 10 1 1 A 29 29 ALA H H 29 8.513 8.331 0.182 1
1 265 . 10 1 1 A 29 29 ALA HA H 29 3.822 4.639 -0.817 1
1 269 . 10 1 1 A 29 29 ALA C C 29 178.074 177.895 0.179 1
1 270 . 10 1 1 A 29 29 ALA CA C 29 52.670 52.413 0.257 1
1 271 . 10 1 1 A 29 29 ALA CB C 29 19.721 19.485 0.236 1
1 272 . 10 1 1 A 29 29 ALA N N 29 120.286 123.865 -3.579 1
1 273 . 10 1 1 A 30 30 GLY H H 30 8.022 8.485 -0.463 1
1 274 . 10 1 1 A 30 30 GLY HA2 H 30 3.956 4.095 -0.139 1
1 275 . 10 1 1 A 30 30 GLY HA3 H 30 3.733 4.095 -0.362 1
1 276 . 10 1 1 A 30 30 GLY C C 30 174.944 173.744 1.200 1
1 277 . 10 1 1 A 30 30 GLY CA C 30 46.739 45.199 1.540 1
1 278 . 10 1 1 A 30 30 GLY N N 30 110.746 111.273 -0.527 1
1 279 . 10 1 1 A 31 31 VAL H H 31 7.736 7.388 0.348 1
1 280 . 10 1 1 A 31 31 VAL HA H 31 4.753 4.885 -0.132 1
1 288 . 10 1 1 A 31 31 VAL C C 31 173.642 174.006 -0.364 1
1 289 . 10 1 1 A 31 31 VAL CA C 31 58.809 59.102 -0.293 1
1 290 . 10 1 1 A 31 31 VAL CB C 31 34.719 35.451 -0.732 1
1 293 . 10 1 1 A 31 31 VAL N N 31 112.109 115.202 -3.093 1
1 294 . 10 1 1 A 32 32 GLU H H 32 8.264 8.877 -0.613 1
1 295 . 10 1 1 A 32 32 GLU HA H 32 5.090 5.165 -0.075 1
1 300 . 10 1 1 A 32 32 GLU C C 32 176.725 175.902 0.823 1
1 301 . 10 1 1 A 32 32 GLU CA C 32 55.713 55.292 0.421 1
1 302 . 10 1 1 A 32 32 GLU CB C 32 31.615 31.512 0.103 1
1 304 . 10 1 1 A 32 32 GLU N N 32 121.304 122.839 -1.535 1
1 305 . 10 1 1 A 33 33 VAL H H 33 9.136 9.114 0.022 1
1 306 . 10 1 1 A 33 33 VAL HA H 33 5.001 5.022 -0.021 1
1 314 . 10 1 1 A 33 33 VAL C C 33 174.395 173.426 0.969 1
1 315 . 10 1 1 A 33 33 VAL CA C 33 58.765 58.755 0.010 1
1 316 . 10 1 1 A 33 33 VAL CB C 33 34.596 36.003 -1.407 1
1 319 . 10 1 1 A 33 33 VAL N N 33 117.728 119.590 -1.862 1
1 320 . 10 1 1 A 34 34 GLN H H 34 8.551 8.182 0.369 1
1 321 . 10 1 1 A 34 34 GLN HA H 34 5.052 5.055 -0.003 1
1 328 . 10 1 1 A 34 34 GLN C C 34 175.752 174.261 1.491 1
1 329 . 10 1 1 A 34 34 GLN CA C 34 54.328 54.265 0.063 1
1 330 . 10 1 1 A 34 34 GLN CB C 34 30.760 31.852 -1.092 1
1 332 . 10 1 1 A 34 34 GLN N N 34 119.032 121.057 -2.025 1
1 334 . 10 1 1 A 35 35 VAL H H 35 9.180 8.862 0.318 1
1 335 . 10 1 1 A 35 35 VAL HA H 35 4.144 4.103 0.041 1
1 343 . 10 1 1 A 35 35 VAL C C 35 175.602 175.444 0.158 1
1 344 . 10 1 1 A 35 35 VAL CA C 35 63.035 63.230 -0.195 1
1 345 . 10 1 1 A 35 35 VAL CB C 35 32.056 30.564 1.492 1
1 348 . 10 1 1 A 35 35 VAL N N 35 124.135 127.537 -3.402 1
1 349 . 10 1 1 A 36 36 LEU H H 36 9.175 8.554 0.621 1
1 350 . 10 1 1 A 36 36 LEU HA H 36 4.429 3.991 0.438 1
1 360 . 10 1 1 A 36 36 LEU C C 36 177.299 176.596 0.703 1
1 361 . 10 1 1 A 36 36 LEU CA C 36 55.785 57.190 -1.405 1
1 362 . 10 1 1 A 36 36 LEU CB C 36 42.924 42.078 0.846 1
1 366 . 10 1 1 A 36 36 LEU N N 36 129.320 129.734 -0.414 1
1 367 . 10 1 1 A 37 37 GLU H H 37 7.569 7.276 0.293 1
1 368 . 10 1 1 A 37 37 GLU HA H 37 4.414 4.818 -0.404 1
1 373 . 10 1 1 A 37 37 GLU C C 37 174.132 173.993 0.139 1
1 374 . 10 1 1 A 37 37 GLU CA C 37 56.244 55.499 0.745 1
1 375 . 10 1 1 A 37 37 GLU CB C 37 33.236 33.373 -0.137 1
1 377 . 10 1 1 A 37 37 GLU N N 37 116.925 115.584 1.341 1
1 378 . 10 1 1 A 38 38 LYS H H 38 8.693 8.390 0.303 1
1 379 . 10 1 1 A 38 38 LYS HA H 38 4.181 4.874 -0.693 1
1 388 . 10 1 1 A 38 38 LYS C C 38 175.877 175.212 0.665 1
1 389 . 10 1 1 A 38 38 LYS CA C 38 55.579 54.429 1.150 1
1 390 . 10 1 1 A 38 38 LYS CB C 38 34.965 34.883 0.082 1
1 394 . 10 1 1 A 38 38 LYS N N 38 124.828 124.180 0.648 1
1 395 . 10 1 1 A 39 39 GLN H H 39 7.682 9.240 -1.558 1
1 396 . 10 1 1 A 39 39 GLN HA H 39 4.896 4.638 0.258 1
1 403 . 10 1 1 A 39 39 GLN C C 39 177.964 177.268 0.696 1
1 404 . 10 1 1 A 39 39 GLN CA C 39 55.324 54.849 0.475 1
1 405 . 10 1 1 A 39 39 GLN CB C 39 31.670 31.050 0.620 1
1 407 . 10 1 1 A 39 39 GLN N N 39 119.391 122.249 -2.858 1
1 409 . 10 1 1 A 40 40 GLU HA H 40 4.308 4.156 0.152 1
1 414 . 10 1 1 A 40 40 GLU C C 40 176.777 178.307 -1.530 1
1 415 . 10 1 1 A 40 40 GLU CA C 40 58.541 59.316 -0.775 1
1 416 . 10 1 1 A 40 40 GLU CB C 40 29.363 29.077 0.286 1
1 418 . 10 1 1 A 41 41 SER H H 41 7.986 8.400 -0.414 1
1 419 . 10 1 1 A 41 41 SER HA H 41 4.413 4.222 0.191 1
1 422 . 10 1 1 A 41 41 SER C C 41 175.434 175.203 0.231 1
1 423 . 10 1 1 A 41 41 SER CA C 41 58.707 62.185 -3.478 1
1 424 . 10 1 1 A 41 41 SER CB C 41 63.871 63.262 0.609 1
1 425 . 10 1 1 A 41 41 SER N N 41 113.216 117.157 -3.941 1
1 426 . 10 1 1 A 42 42 GLY H H 42 8.135 7.782 0.353 1
1 427 . 10 1 1 A 42 42 GLY HA2 H 42 4.347 4.125 0.222 1
1 428 . 10 1 1 A 42 42 GLY HA3 H 42 3.625 4.144 -0.519 1
1 429 . 10 1 1 A 42 42 GLY C C 42 173.338 174.781 -1.443 1
1 430 . 10 1 1 A 42 42 GLY CA C 42 44.998 45.599 -0.601 1
1 431 . 10 1 1 A 42 42 GLY N N 42 108.513 105.937 2.576 1
1 432 . 10 1 1 A 43 43 TRP H H 43 7.820 8.011 -0.191 1
1 433 . 10 1 1 A 43 43 TRP HA H 43 4.942 4.670 0.272 1
1 442 . 10 1 1 A 43 43 TRP C C 43 174.648 176.893 -2.245 1
1 443 . 10 1 1 A 43 43 TRP CA C 43 57.245 58.125 -0.880 1
1 444 . 10 1 1 A 43 43 TRP CB C 43 30.102 30.313 -0.211 1
1 450 . 10 1 1 A 43 43 TRP N N 43 122.320 120.788 1.532 1
1 452 . 10 1 1 A 44 44 TRP H H 44 9.769 8.899 0.870 1
1 453 . 10 1 1 A 44 44 TRP HA H 44 5.875 5.594 0.281 1
1 462 . 10 1 1 A 44 44 TRP C C 44 173.703 175.170 -1.467 1
1 463 . 10 1 1 A 44 44 TRP CA C 44 53.298 55.293 -1.995 1
1 464 . 10 1 1 A 44 44 TRP CB C 44 32.961 32.036 0.925 1
1 470 . 10 1 1 A 44 44 TRP N N 44 125.138 123.559 1.579 1
1 472 . 10 1 1 A 45 45 TYR H H 45 9.168 8.996 0.172 1
1 473 . 10 1 1 A 45 45 TYR HA H 45 4.173 4.215 -0.042 1
1 480 . 10 1 1 A 45 45 TYR C C 45 175.086 174.734 0.352 1
1 481 . 10 1 1 A 45 45 TYR CA C 45 58.044 56.361 1.683 1
1 482 . 10 1 1 A 45 45 TYR CB C 45 38.792 38.214 0.578 1
1 487 . 10 1 1 A 45 45 TYR N N 45 127.429 125.153 2.276 1
1 488 . 10 1 1 A 46 46 VAL H H 46 8.689 8.782 -0.093 1
1 489 . 10 1 1 A 46 46 VAL HA H 46 5.142 5.009 0.133 1
1 497 . 10 1 1 A 46 46 VAL C C 46 172.384 173.778 -1.394 1
1 498 . 10 1 1 A 46 46 VAL CA C 46 59.010 59.614 -0.604 1
1 499 . 10 1 1 A 46 46 VAL CB C 46 35.502 33.802 1.700 1
1 502 . 10 1 1 A 46 46 VAL N N 46 124.245 122.219 2.026 1
1 503 . 10 1 1 A 47 47 ARG H H 47 9.049 8.530 0.519 1
1 504 . 10 1 1 A 47 47 ARG HA H 47 5.163 4.837 0.326 1
1 512 . 10 1 1 A 47 47 ARG C C 47 175.057 174.006 1.051 1
1 513 . 10 1 1 A 47 47 ARG CA C 47 54.158 54.497 -0.339 1
1 514 . 10 1 1 A 47 47 ARG CB C 47 34.146 33.692 0.454 1
1 517 . 10 1 1 A 47 47 ARG N N 47 120.700 121.163 -0.463 1
1 519 . 10 1 1 A 48 48 PHE H H 48 9.042 8.792 0.250 1
1 520 . 10 1 1 A 48 48 PHE HA H 48 5.296 4.707 0.589 1
1 528 . 10 1 1 A 48 48 PHE C C 48 175.133 175.623 -0.490 1
1 529 . 10 1 1 A 48 48 PHE CA C 48 54.446 57.025 -2.579 1
1 530 . 10 1 1 A 48 48 PHE CB C 48 40.369 40.993 -0.624 1
1 536 . 10 1 1 A 48 48 PHE N N 48 128.029 127.625 0.404 1
1 537 . 10 1 1 A 49 49 GLY H H 49 9.103 8.786 0.317 1
1 538 . 10 1 1 A 49 49 GLY HA2 H 49 3.644 3.534 0.110 1
1 539 . 10 1 1 A 49 49 GLY HA3 H 49 3.503 3.658 -0.155 1
1 540 . 10 1 1 A 49 49 GLY C C 49 174.287 174.643 -0.356 1
1 541 . 10 1 1 A 49 49 GLY CA C 49 47.008 47.027 -0.019 1
1 542 . 10 1 1 A 49 49 GLY N N 49 118.890 115.993 2.897 1
1 543 . 10 1 1 A 50 50 GLU H H 50 8.920 8.597 0.323 1
1 544 . 10 1 1 A 50 50 GLU HA H 50 4.333 4.351 -0.018 1
1 549 . 10 1 1 A 50 50 GLU C C 50 176.000 175.525 0.475 1
1 550 . 10 1 1 A 50 50 GLU CA C 50 56.080 56.229 -0.149 1
1 551 . 10 1 1 A 50 50 GLU CB C 50 30.022 30.523 -0.501 1
1 553 . 10 1 1 A 50 50 GLU N N 50 125.280 125.644 -0.364 1
1 554 . 10 1 1 A 51 51 LEU H H 51 7.792 7.258 0.534 1
1 555 . 10 1 1 A 51 51 LEU HA H 51 4.635 4.762 -0.127 1
1 565 . 10 1 1 A 51 51 LEU C C 51 175.050 175.907 -0.857 1
1 566 . 10 1 1 A 51 51 LEU CA C 51 54.074 53.047 1.027 1
1 567 . 10 1 1 A 51 51 LEU CB C 51 44.171 45.429 -1.258 1
1 571 . 10 1 1 A 51 51 LEU N N 51 121.706 121.152 0.554 1
1 572 . 10 1 1 A 52 52 GLU H H 52 8.165 8.614 -0.449 1
1 573 . 10 1 1 A 52 52 GLU HA H 52 5.476 4.980 0.496 1
1 578 . 10 1 1 A 52 52 GLU C C 52 176.062 175.213 0.849 1
1 579 . 10 1 1 A 52 52 GLU CA C 52 53.810 54.842 -1.032 1
1 580 . 10 1 1 A 52 52 GLU CB C 52 33.486 32.741 0.745 1
1 582 . 10 1 1 A 52 52 GLU N N 52 116.700 119.171 -2.471 1
1 583 . 10 1 1 A 53 53 GLY H H 53 8.091 8.410 -0.319 1
1 584 . 10 1 1 A 53 53 GLY HA2 H 53 3.882 4.471 -0.589 1
1 585 . 10 1 1 A 53 53 GLY HA3 H 53 3.730 4.528 -0.798 1
1 586 . 10 1 1 A 53 53 GLY C C 53 170.279 171.646 -1.367 1
1 587 . 10 1 1 A 53 53 GLY CA C 53 45.344 44.558 0.786 1
1 588 . 10 1 1 A 53 53 GLY N N 53 106.613 110.668 -4.055 1
1 589 . 10 1 1 A 54 54 TRP H H 54 8.595 8.875 -0.280 1
1 590 . 10 1 1 A 54 54 TRP HA H 54 5.348 5.614 -0.266 1
1 599 . 10 1 1 A 54 54 TRP C C 54 175.873 175.945 -0.072 1
1 600 . 10 1 1 A 54 54 TRP CA C 54 57.602 56.852 0.750 1
1 601 . 10 1 1 A 54 54 TRP CB C 54 31.176 30.043 1.133 1
1 607 . 10 1 1 A 54 54 TRP N N 54 120.550 120.942 -0.392 1
1 609 . 10 1 1 A 55 55 ALA H H 55 9.993 9.068 0.925 1
1 610 . 10 1 1 A 55 55 ALA HA H 55 4.978 4.438 0.540 1
1 614 . 10 1 1 A 55 55 ALA C C 55 173.642 174.771 -1.129 1
1 615 . 10 1 1 A 55 55 ALA CA C 55 49.335 49.159 0.176 1
1 616 . 10 1 1 A 55 55 ALA CB C 55 22.101 20.962 1.139 1
1 617 . 10 1 1 A 55 55 ALA N N 55 122.386 128.090 -5.704 1
1 618 . 10 1 1 A 56 56 PRO HA H 56 3.586 4.116 -0.530 1
1 625 . 10 1 1 A 56 56 PRO C C 56 178.765 177.216 1.549 1
1 626 . 10 1 1 A 56 56 PRO CA C 56 61.218 62.230 -1.012 1
1 627 . 10 1 1 A 56 56 PRO CB C 56 30.430 31.255 -0.825 1
1 630 . 10 1 1 A 57 57 SER H H 57 8.187 7.622 0.565 1
1 631 . 10 1 1 A 57 57 SER HA H 57 2.721 3.593 -0.872 1
1 634 . 10 1 1 A 57 57 SER C C 57 175.094 175.965 -0.871 1
1 635 . 10 1 1 A 57 57 SER CA C 57 60.865 60.464 0.401 1
1 636 . 10 1 1 A 57 57 SER CB C 57 60.645 61.454 -0.809 1
1 637 . 10 1 1 A 57 57 SER N N 57 120.088 121.941 -1.853 1
1 638 . 10 1 1 A 58 58 HIS H H 58 7.482 7.433 0.049 1
1 639 . 10 1 1 A 58 58 HIS HA H 58 4.433 4.190 0.243 1
1 644 . 10 1 1 A 58 58 HIS C C 58 175.763 177.333 -1.570 1
1 645 . 10 1 1 A 58 58 HIS CA C 58 56.938 58.962 -2.024 1
1 646 . 10 1 1 A 58 58 HIS CB C 58 28.597 29.383 -0.786 1
1 649 . 10 1 1 A 58 58 HIS N N 58 115.490 118.921 -3.431 1
1 650 . 10 1 1 A 59 59 TYR H H 59 7.251 7.989 -0.738 1
1 651 . 10 1 1 A 59 59 TYR HA H 59 4.366 4.287 0.079 1
1 658 . 10 1 1 A 59 59 TYR C C 59 173.874 176.358 -2.484 1
1 659 . 10 1 1 A 59 59 TYR CA C 59 58.862 60.415 -1.553 1
1 660 . 10 1 1 A 59 59 TYR CB C 59 36.586 39.417 -2.831 1
1 665 . 10 1 1 A 59 59 TYR N N 59 120.460 117.042 3.418 1
1 666 . 10 1 1 A 60 60 LEU H H 60 7.574 6.945 0.629 1
1 667 . 10 1 1 A 60 60 LEU HA H 60 4.964 4.290 0.674 1
1 677 . 10 1 1 A 60 60 LEU C C 60 175.663 176.387 -0.724 1
1 678 . 10 1 1 A 60 60 LEU CA C 60 53.709 55.104 -1.395 1
1 679 . 10 1 1 A 60 60 LEU CB C 60 42.879 42.482 0.397 1
1 683 . 10 1 1 A 60 60 LEU N N 60 121.690 119.832 1.858 1
1 684 . 10 1 1 A 61 61 VAL H H 61 9.082 8.614 0.468 1
1 685 . 10 1 1 A 61 61 VAL HA H 61 4.309 4.522 -0.213 1
1 693 . 10 1 1 A 61 61 VAL C C 61 174.803 176.053 -1.250 1
1 694 . 10 1 1 A 61 61 VAL CA C 61 61.381 61.844 -0.463 1
1 695 . 10 1 1 A 61 61 VAL CB C 61 33.607 31.514 2.093 1
1 698 . 10 1 1 A 61 61 VAL N N 61 119.010 123.688 -4.678 1
1 699 . 10 1 1 A 62 62 LEU H H 62 8.307 8.431 -0.124 1
1 700 . 10 1 1 A 62 62 LEU HA H 62 4.288 5.274 -0.986 1
1 710 . 10 1 1 A 62 62 LEU C C 62 176.976 175.988 0.988 1
1 711 . 10 1 1 A 62 62 LEU CA C 62 54.807 53.483 1.324 1
1 712 . 10 1 1 A 62 62 LEU CB C 62 42.932 44.880 -1.948 1
1 716 . 10 1 1 A 62 62 LEU N N 62 127.895 125.170 2.725 1
1 717 . 10 1 1 A 63 63 ASP H H 63 8.475 8.776 -0.301 1
1 718 . 10 1 1 A 63 63 ASP HA H 63 4.595 4.729 -0.134 1
1 721 . 10 1 1 A 63 63 ASP C C 63 176.269 175.102 1.167 1
1 722 . 10 1 1 A 63 63 ASP CA C 63 53.903 53.890 0.013 1
1 723 . 10 1 1 A 63 63 ASP CB C 63 41.618 39.732 1.886 1
1 724 . 10 1 1 A 63 63 ASP N N 63 122.904 120.364 2.540 1
1 725 . 10 1 1 A 64 64 GLU H H 64 8.528 8.424 0.104 1
1 726 . 10 1 1 A 64 64 GLU HA H 64 4.220 4.685 -0.465 1
1 731 . 10 1 1 A 64 64 GLU C C 64 176.504 177.163 -0.659 1
1 732 . 10 1 1 A 64 64 GLU CA C 64 57.043 55.474 1.569 1
1 733 . 10 1 1 A 64 64 GLU CB C 64 30.214 32.403 -2.189 1
1 735 . 10 1 1 A 64 64 GLU N N 64 122.471 125.970 -3.499 1
1 736 . 10 1 1 A 65 65 ASN H H 65 8.523 8.819 -0.296 1
1 737 . 10 1 1 A 65 65 ASN HA H 65 4.661 4.383 0.278 1
1 742 . 10 1 1 A 65 65 ASN C C 65 175.223 176.165 -0.942 1
1 743 . 10 1 1 A 65 65 ASN CA C 65 53.674 56.358 -2.684 1
1 744 . 10 1 1 A 65 65 ASN CB C 65 39.088 38.344 0.744 1
1 745 . 10 1 1 A 65 65 ASN N N 65 118.895 122.475 -3.580 1
1 747 . 10 1 1 A 66 66 GLU H H 66 8.222 7.755 0.467 1
1 748 . 10 1 1 A 66 66 GLU HA H 66 4.293 4.508 -0.215 1
1 753 . 10 1 1 A 66 66 GLU C C 66 176.054 174.680 1.374 1
1 754 . 10 1 1 A 66 66 GLU CA C 66 56.432 55.336 1.096 1
1 755 . 10 1 1 A 66 66 GLU CB C 66 30.476 29.309 1.167 1
1 757 . 10 1 1 A 66 66 GLU N N 66 120.919 118.747 2.172 1
1 758 . 10 1 1 A 67 67 GLN H H 67 8.293 8.110 0.183 1
1 759 . 10 1 1 A 67 67 GLN HA H 67 4.582 5.019 -0.437 1
1 766 . 10 1 1 A 67 67 GLN C C 67 173.836 174.208 -0.372 1
1 767 . 10 1 1 A 67 67 GLN CA C 67 53.593 53.453 0.140 1
1 768 . 10 1 1 A 67 67 GLN CB C 67 28.949 31.087 -2.138 1
1 770 . 10 1 1 A 67 67 GLN N N 67 122.295 121.587 0.708 1
1 772 . 10 1 1 A 68 68 PRO HA H 68 4.401 4.623 -0.222 1
1 779 . 10 1 1 A 68 68 PRO CA C 68 62.882 62.313 0.569 1
1 780 . 10 1 1 A 68 68 PRO CB C 68 32.175 33.149 -0.974 1
1 783 . 10 1 1 A 69 69 ASP H H 69 8.502 8.617 -0.115 1
1 784 . 10 1 1 A 69 69 ASP HA H 69 4.836 5.213 -0.377 1
1 787 . 10 1 1 A 69 69 ASP CA C 69 51.945 50.939 1.006 1
1 788 . 10 1 1 A 69 69 ASP CB C 69 41.305 41.549 -0.244 1
1 789 . 10 1 1 A 69 69 ASP N N 69 121.937 121.450 0.487 1
1 790 . 10 1 1 A 70 70 PRO HA H 70 4.437 4.523 -0.086 1
1 797 . 10 1 1 A 70 70 PRO C C 70 177.484 176.058 1.426 1
1 798 . 10 1 1 A 70 70 PRO CA C 70 63.777 62.636 1.141 1
1 799 . 10 1 1 A 70 70 PRO CB C 70 32.027 32.112 -0.085 1
1 802 . 10 1 1 A 71 71 SER H H 71 8.506 8.532 -0.026 1
1 803 . 10 1 1 A 71 71 SER HA H 71 4.364 4.638 -0.274 1
1 806 . 10 1 1 A 71 71 SER C C 71 175.439 174.505 0.934 1
1 807 . 10 1 1 A 71 71 SER CA C 71 59.261 57.194 2.067 1
1 808 . 10 1 1 A 71 71 SER CB C 71 63.771 64.301 -0.530 1
1 809 . 10 1 1 A 71 71 SER N N 71 115.901 117.249 -1.348 1
1 810 . 10 1 1 A 72 72 GLY H H 72 8.258 8.628 -0.370 1
1 811 . 10 1 1 A 72 72 GLY HA2 H 72 3.958 3.941 0.017 1
1 812 . 10 1 1 A 72 72 GLY HA3 H 72 3.958 3.946 0.012 1
1 813 . 10 1 1 A 72 72 GLY C C 72 174.314 174.193 0.121 1
1 814 . 10 1 1 A 72 72 GLY CA C 72 45.469 45.994 -0.525 1
1 815 . 10 1 1 A 72 72 GLY N N 72 110.595 114.964 -4.369 1
1 816 . 10 1 1 A 73 73 LYS H H 73 8.052 8.243 -0.191 1
1 817 . 10 1 1 A 73 73 LYS HA H 73 4.305 4.385 -0.080 1
1 826 . 10 1 1 A 73 73 LYS C C 73 176.792 176.496 0.296 1
1 827 . 10 1 1 A 73 73 LYS CA C 73 56.420 56.065 0.355 1
1 828 . 10 1 1 A 73 73 LYS CB C 73 33.082 33.042 0.040 1
1 832 . 10 1 1 A 73 73 LYS N N 73 120.614 125.848 -5.234 1
1 833 . 10 1 1 A 74 74 GLU H H 74 8.559 8.490 0.069 1
1 834 . 10 1 1 A 74 74 GLU HA H 74 4.305 4.133 0.172 1
1 839 . 10 1 1 A 74 74 GLU C C 74 176.648 176.555 0.093 1
1 840 . 10 1 1 A 74 74 GLU CA C 74 56.446 57.544 -1.098 1
1 841 . 10 1 1 A 74 74 GLU CB C 74 30.215 29.579 0.636 1
1 843 . 10 1 1 A 74 74 GLU N N 74 122.000 125.153 -3.153 1
1 844 . 10 1 1 A 75 75 SER H H 75 8.364 8.396 -0.032 1
1 845 . 10 1 1 A 75 75 SER HA H 75 4.450 4.539 -0.089 1
1 846 . 10 1 1 A 75 75 SER C C 75 174.540 173.895 0.645 1
1 847 . 10 1 1 A 75 75 SER CA C 75 58.538 59.057 -0.519 1
1 848 . 10 1 1 A 75 75 SER CB C 75 63.977 62.143 1.834 1
1 849 . 10 1 1 A 75 75 SER N N 75 116.992 119.783 -2.791 1
1 850 . 10 1 1 A 76 76 GLY H H 76 8.243 8.279 -0.036 1
1 851 . 10 1 1 A 76 76 GLY HA2 H 76 4.157 4.305 -0.148 1
1 852 . 10 1 1 A 76 76 GLY HA3 H 76 4.058 4.306 -0.248 1
1 853 . 10 1 1 A 76 76 GLY CA C 76 44.680 43.702 0.978 1
1 854 . 10 1 1 A 76 76 GLY N N 76 110.704 113.564 -2.860 1
1 855 . 10 1 1 A 77 77 PRO HA H 77 4.463 4.300 0.163 1
1 862 . 10 1 1 A 77 77 PRO C C 77 177.454 176.973 0.481 1
1 863 . 10 1 1 A 77 77 PRO CA C 77 63.202 64.750 -1.548 1
1 864 . 10 1 1 A 77 77 PRO CB C 77 32.276 31.761 0.515 1
1 867 . 10 1 1 A 78 78 SER H H 78 8.535 8.046 0.489 1
1 870 . 10 1 1 A 78 78 SER C C 78 174.735 173.419 1.316 1
1 871 . 10 1 1 A 78 78 SER CA C 78 58.373 58.868 -0.495 1
1 872 . 10 1 1 A 78 78 SER CB C 78 63.977 61.235 2.742 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.494 4.813 -0.319 1
1 2 . 11 1 1 A 6 6 SER CA C 6 58.785 56.852 1.933 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.483 63.973 -0.490 1
1 4 . 11 1 1 A 7 7 GLY H H 7 8.367 9.012 -0.645 1
1 5 . 11 1 1 A 7 7 GLY HA2 H 7 3.955 4.116 -0.161 1
1 6 . 11 1 1 A 7 7 GLY HA3 H 7 3.955 4.116 -0.161 1
1 7 . 11 1 1 A 7 7 GLY C C 7 173.640 173.447 0.193 1
1 8 . 11 1 1 A 7 7 GLY CA C 7 45.215 46.292 -1.077 1
1 9 . 11 1 1 A 7 7 GLY N N 7 110.787 114.651 -3.864 1
1 10 . 11 1 1 A 8 8 ALA H H 8 8.126 8.238 -0.112 1
1 11 . 11 1 1 A 8 8 ALA HA H 8 4.458 4.341 0.117 1
1 15 . 11 1 1 A 8 8 ALA C C 8 177.711 176.630 1.081 1
1 16 . 11 1 1 A 8 8 ALA CA C 8 52.493 51.917 0.576 1
1 17 . 11 1 1 A 8 8 ALA CB C 8 19.761 19.942 -0.181 1
1 18 . 11 1 1 A 8 8 ALA N N 8 123.680 125.251 -1.571 1
1 19 . 11 1 1 A 9 9 THR H H 9 8.254 8.636 -0.382 1
1 20 . 11 1 1 A 9 9 THR HA H 9 4.527 4.973 -0.446 1
1 25 . 11 1 1 A 9 9 THR C C 9 174.050 172.642 1.408 1
1 26 . 11 1 1 A 9 9 THR CA C 9 61.874 61.321 0.553 1
1 27 . 11 1 1 A 9 9 THR CB C 9 70.580 70.836 -0.256 1
1 29 . 11 1 1 A 9 9 THR N N 9 113.196 113.290 -0.094 1
1 30 . 11 1 1 A 10 10 SER H H 10 8.264 8.739 -0.475 1
1 31 . 11 1 1 A 10 10 SER HA H 10 5.228 5.346 -0.118 1
1 34 . 11 1 1 A 10 10 SER C C 10 173.318 173.121 0.197 1
1 35 . 11 1 1 A 10 10 SER CA C 10 58.404 57.616 0.788 1
1 36 . 11 1 1 A 10 10 SER CB C 10 64.098 64.341 -0.243 1
1 37 . 11 1 1 A 10 10 SER N N 10 120.509 121.632 -1.123 1
1 38 . 11 1 1 A 11 11 TYR H H 11 8.957 9.318 -0.361 1
1 39 . 11 1 1 A 11 11 TYR HA H 11 4.793 5.225 -0.432 1
1 46 . 11 1 1 A 11 11 TYR C C 11 174.111 174.971 -0.860 1
1 47 . 11 1 1 A 11 11 TYR CA C 11 57.097 56.516 0.581 1
1 48 . 11 1 1 A 11 11 TYR CB C 11 43.764 42.704 1.060 1
1 53 . 11 1 1 A 11 11 TYR N N 11 124.069 124.827 -0.758 1
1 54 . 11 1 1 A 12 12 MET H H 12 8.985 9.075 -0.090 1
1 55 . 11 1 1 A 12 12 MET HA H 12 5.463 5.323 0.140 1
1 63 . 11 1 1 A 12 12 MET C C 12 177.045 175.128 1.917 1
1 64 . 11 1 1 A 12 12 MET CA C 12 52.215 54.133 -1.918 1
1 65 . 11 1 1 A 12 12 MET CB C 12 33.195 34.172 -0.977 1
1 68 . 11 1 1 A 12 12 MET N N 12 118.428 120.857 -2.429 1
1 69 . 11 1 1 A 13 13 THR H H 13 9.132 9.103 0.029 1
1 70 . 11 1 1 A 13 13 THR HA H 13 4.872 4.739 0.133 1
1 75 . 11 1 1 A 13 13 THR C C 13 177.032 174.844 2.188 1
1 76 . 11 1 1 A 13 13 THR CA C 13 60.003 61.432 -1.429 1
1 77 . 11 1 1 A 13 13 THR CB C 13 69.597 69.230 0.367 1
1 79 . 11 1 1 A 13 13 THR N N 13 113.981 115.052 -1.071 1
1 80 . 11 1 1 A 14 14 CYS H H 14 9.504 8.492 1.012 1
1 81 . 11 1 1 A 14 14 CYS HA H 14 4.806 4.505 0.301 1
1 84 . 11 1 1 A 14 14 CYS C C 14 173.712 174.132 -0.420 1
1 85 . 11 1 1 A 14 14 CYS CA C 14 57.209 60.039 -2.830 1
1 86 . 11 1 1 A 14 14 CYS CB C 14 28.772 28.580 0.192 1
1 87 . 11 1 1 A 14 14 CYS N N 14 122.485 123.875 -1.390 1
1 88 . 11 1 1 A 15 15 SER H H 15 7.796 7.722 0.074 1
1 89 . 11 1 1 A 15 15 SER HA H 15 4.578 4.817 -0.239 1
1 92 . 11 1 1 A 15 15 SER C C 15 171.037 172.842 -1.805 1
1 93 . 11 1 1 A 15 15 SER CA C 15 56.858 57.742 -0.884 1
1 94 . 11 1 1 A 15 15 SER CB C 15 66.124 67.205 -1.081 1
1 95 . 11 1 1 A 15 15 SER N N 15 116.311 114.284 2.027 1
1 96 . 11 1 1 A 16 16 ALA H H 16 8.398 8.454 -0.056 1
1 97 . 11 1 1 A 16 16 ALA HA H 16 4.582 4.627 -0.045 1
1 101 . 11 1 1 A 16 16 ALA C C 16 176.897 176.259 0.638 1
1 102 . 11 1 1 A 16 16 ALA CA C 16 52.085 52.098 -0.013 1
1 103 . 11 1 1 A 16 16 ALA CB C 16 19.720 19.105 0.615 1
1 104 . 11 1 1 A 16 16 ALA N N 16 124.071 126.540 -2.469 1
1 105 . 11 1 1 A 17 17 TYR H H 17 8.401 7.891 0.510 1
1 106 . 11 1 1 A 17 17 TYR HA H 17 4.384 4.885 -0.501 1
1 113 . 11 1 1 A 17 17 TYR C C 17 173.836 173.705 0.131 1
1 114 . 11 1 1 A 17 17 TYR CA C 17 57.801 56.584 1.217 1
1 115 . 11 1 1 A 17 17 TYR CB C 17 42.166 40.942 1.224 1
1 120 . 11 1 1 A 17 17 TYR N N 17 121.997 124.855 -2.858 1
1 121 . 11 1 1 A 18 18 GLN H H 18 6.844 8.213 -1.369 1
1 122 . 11 1 1 A 18 18 GLN HA H 18 4.318 4.450 -0.132 1
1 129 . 11 1 1 A 18 18 GLN C C 18 172.990 174.574 -1.584 1
1 130 . 11 1 1 A 18 18 GLN CA C 18 52.767 53.542 -0.775 1
1 131 . 11 1 1 A 18 18 GLN CB C 18 29.940 31.048 -1.108 1
1 133 . 11 1 1 A 18 18 GLN N N 18 127.603 127.069 0.534 1
1 135 . 11 1 1 A 19 19 LYS H H 19 8.155 8.232 -0.077 1
1 136 . 11 1 1 A 19 19 LYS HA H 19 4.130 4.389 -0.259 1
1 145 . 11 1 1 A 19 19 LYS C C 19 175.995 175.801 0.194 1
1 146 . 11 1 1 A 19 19 LYS CA C 19 56.489 56.044 0.445 1
1 147 . 11 1 1 A 19 19 LYS CB C 19 33.369 33.004 0.365 1
1 151 . 11 1 1 A 19 19 LYS N N 19 123.114 123.763 -0.649 1
1 152 . 11 1 1 A 20 20 VAL H H 20 8.679 8.849 -0.170 1
1 153 . 11 1 1 A 20 20 VAL HA H 20 4.153 4.165 -0.012 1
1 161 . 11 1 1 A 20 20 VAL C C 20 176.493 175.528 0.965 1
1 162 . 11 1 1 A 20 20 VAL CA C 20 62.520 63.681 -1.161 1
1 163 . 11 1 1 A 20 20 VAL CB C 20 32.847 33.060 -0.213 1
1 166 . 11 1 1 A 20 20 VAL N N 20 120.106 121.097 -0.991 1
1 167 . 11 1 1 A 21 21 GLN H H 21 7.133 7.222 -0.089 1
1 168 . 11 1 1 A 21 21 GLN HA H 21 4.582 4.701 -0.119 1
1 175 . 11 1 1 A 21 21 GLN C C 21 177.019 175.970 1.049 1
1 176 . 11 1 1 A 21 21 GLN CA C 21 54.291 54.349 -0.058 1
1 177 . 11 1 1 A 21 21 GLN CB C 21 31.023 30.967 0.056 1
1 179 . 11 1 1 A 21 21 GLN N N 21 116.079 119.193 -3.114 1
1 181 . 11 1 1 A 22 22 ASP H H 22 8.858 8.891 -0.033 1
1 182 . 11 1 1 A 22 22 ASP HA H 22 4.318 4.383 -0.065 1
1 185 . 11 1 1 A 22 22 ASP C C 22 176.746 178.701 -1.955 1
1 186 . 11 1 1 A 22 22 ASP CA C 22 57.752 57.131 0.621 1
1 187 . 11 1 1 A 22 22 ASP CB C 22 40.859 40.512 0.347 1
1 188 . 11 1 1 A 22 22 ASP N N 22 120.173 122.984 -2.811 1
1 189 . 11 1 1 A 23 23 SER H H 23 7.860 8.253 -0.393 1
1 190 . 11 1 1 A 23 23 SER HA H 23 4.648 4.326 0.322 1
1 193 . 11 1 1 A 23 23 SER C C 23 175.526 175.208 0.318 1
1 194 . 11 1 1 A 23 23 SER CA C 23 58.597 61.599 -3.002 1
1 195 . 11 1 1 A 23 23 SER CB C 23 62.993 63.299 -0.306 1
1 196 . 11 1 1 A 23 23 SER N N 23 110.013 115.666 -5.653 1
1 197 . 11 1 1 A 24 24 GLU H H 24 7.579 8.118 -0.539 1
1 198 . 11 1 1 A 24 24 GLU HA H 24 5.574 4.707 0.867 1
1 203 . 11 1 1 A 24 24 GLU C C 24 174.394 175.474 -1.080 1
1 204 . 11 1 1 A 24 24 GLU CA C 24 55.633 56.871 -1.238 1
1 205 . 11 1 1 A 24 24 GLU CB C 24 32.848 31.104 1.744 1
1 207 . 11 1 1 A 24 24 GLU N N 24 122.542 119.266 3.276 1
1 208 . 11 1 1 A 25 25 ILE H H 25 7.894 8.909 -1.015 1
1 209 . 11 1 1 A 25 25 ILE HA H 25 4.661 4.947 -0.286 1
1 219 . 11 1 1 A 25 25 ILE C C 25 171.519 174.036 -2.517 1
1 220 . 11 1 1 A 25 25 ILE CA C 25 58.838 59.528 -0.690 1
1 221 . 11 1 1 A 25 25 ILE CB C 25 42.673 42.294 0.379 1
1 225 . 11 1 1 A 25 25 ILE N N 25 117.944 122.985 -5.041 1
1 226 . 11 1 1 A 26 26 SER H H 26 7.535 9.116 -1.581 1
1 227 . 11 1 1 A 26 26 SER HA H 26 4.885 5.206 -0.321 1
1 230 . 11 1 1 A 26 26 SER C C 26 174.052 174.029 0.023 1
1 231 . 11 1 1 A 26 26 SER CA C 26 56.515 57.358 -0.843 1
1 232 . 11 1 1 A 26 26 SER CB C 26 65.131 64.831 0.300 1
1 233 . 11 1 1 A 26 26 SER N N 26 116.426 124.086 -7.660 1
1 234 . 11 1 1 A 27 27 PHE H H 27 8.271 8.260 0.011 1
1 235 . 11 1 1 A 27 27 PHE HA H 27 4.934 5.014 -0.080 1
1 243 . 11 1 1 A 27 27 PHE C C 27 173.278 172.985 0.293 1
1 244 . 11 1 1 A 27 27 PHE CA C 27 53.758 54.810 -1.052 1
1 245 . 11 1 1 A 27 27 PHE CB C 27 37.379 41.566 -4.187 1
1 251 . 11 1 1 A 27 27 PHE N N 27 116.221 119.016 -2.795 1
1 252 . 11 1 1 A 28 28 PRO HA H 28 4.872 4.656 0.216 1
1 259 . 11 1 1 A 28 28 PRO C C 28 176.165 175.506 0.659 1
1 260 . 11 1 1 A 28 28 PRO CA C 28 61.019 62.450 -1.431 1
1 261 . 11 1 1 A 28 28 PRO CB C 28 32.410 32.875 -0.465 1
1 264 . 11 1 1 A 29 29 ALA H H 29 8.513 8.396 0.117 1
1 265 . 11 1 1 A 29 29 ALA HA H 29 3.822 4.737 -0.915 1
1 269 . 11 1 1 A 29 29 ALA C C 29 178.074 177.899 0.175 1
1 270 . 11 1 1 A 29 29 ALA CA C 29 52.670 52.048 0.622 1
1 271 . 11 1 1 A 29 29 ALA CB C 29 19.721 19.658 0.063 1
1 272 . 11 1 1 A 29 29 ALA N N 29 120.286 123.698 -3.412 1
1 273 . 11 1 1 A 30 30 GLY H H 30 8.022 8.732 -0.710 1
1 274 . 11 1 1 A 30 30 GLY HA2 H 30 3.956 4.105 -0.149 1
1 275 . 11 1 1 A 30 30 GLY HA3 H 30 3.733 4.106 -0.373 1
1 276 . 11 1 1 A 30 30 GLY C C 30 174.944 173.785 1.159 1
1 277 . 11 1 1 A 30 30 GLY CA C 30 46.739 45.214 1.525 1
1 278 . 11 1 1 A 30 30 GLY N N 30 110.746 111.375 -0.629 1
1 279 . 11 1 1 A 31 31 VAL H H 31 7.736 7.724 0.012 1
1 280 . 11 1 1 A 31 31 VAL HA H 31 4.753 4.890 -0.137 1
1 288 . 11 1 1 A 31 31 VAL C C 31 173.642 174.007 -0.365 1
1 289 . 11 1 1 A 31 31 VAL CA C 31 58.809 59.227 -0.418 1
1 290 . 11 1 1 A 31 31 VAL CB C 31 34.719 35.604 -0.885 1
1 293 . 11 1 1 A 31 31 VAL N N 31 112.109 115.459 -3.350 1
1 294 . 11 1 1 A 32 32 GLU H H 32 8.264 8.974 -0.710 1
1 295 . 11 1 1 A 32 32 GLU HA H 32 5.090 5.235 -0.145 1
1 300 . 11 1 1 A 32 32 GLU C C 32 176.725 175.664 1.061 1
1 301 . 11 1 1 A 32 32 GLU CA C 32 55.713 55.148 0.565 1
1 302 . 11 1 1 A 32 32 GLU CB C 32 31.615 32.230 -0.615 1
1 304 . 11 1 1 A 32 32 GLU N N 32 121.304 122.206 -0.902 1
1 305 . 11 1 1 A 33 33 VAL H H 33 9.136 8.859 0.277 1
1 306 . 11 1 1 A 33 33 VAL HA H 33 5.001 4.856 0.145 1
1 314 . 11 1 1 A 33 33 VAL C C 33 174.395 173.973 0.422 1
1 315 . 11 1 1 A 33 33 VAL CA C 33 58.765 59.084 -0.319 1
1 316 . 11 1 1 A 33 33 VAL CB C 33 34.596 35.603 -1.007 1
1 319 . 11 1 1 A 33 33 VAL N N 33 117.728 119.902 -2.174 1
1 320 . 11 1 1 A 34 34 GLN H H 34 8.551 8.155 0.396 1
1 321 . 11 1 1 A 34 34 GLN HA H 34 5.052 4.730 0.322 1
1 328 . 11 1 1 A 34 34 GLN C C 34 175.752 175.047 0.705 1
1 329 . 11 1 1 A 34 34 GLN CA C 34 54.328 54.824 -0.496 1
1 330 . 11 1 1 A 34 34 GLN CB C 34 30.760 30.633 0.127 1
1 332 . 11 1 1 A 34 34 GLN N N 34 119.032 123.297 -4.265 1
1 334 . 11 1 1 A 35 35 VAL H H 35 9.180 8.813 0.367 1
1 335 . 11 1 1 A 35 35 VAL HA H 35 4.144 4.056 0.088 1
1 343 . 11 1 1 A 35 35 VAL C C 35 175.602 175.268 0.334 1
1 344 . 11 1 1 A 35 35 VAL CA C 35 63.035 62.919 0.116 1
1 345 . 11 1 1 A 35 35 VAL CB C 35 32.056 31.036 1.020 1
1 348 . 11 1 1 A 35 35 VAL N N 35 124.135 127.157 -3.022 1
1 349 . 11 1 1 A 36 36 LEU H H 36 9.175 8.995 0.180 1
1 350 . 11 1 1 A 36 36 LEU HA H 36 4.429 4.115 0.314 1
1 360 . 11 1 1 A 36 36 LEU C C 36 177.299 176.589 0.710 1
1 361 . 11 1 1 A 36 36 LEU CA C 36 55.785 57.386 -1.601 1
1 362 . 11 1 1 A 36 36 LEU CB C 36 42.924 42.453 0.471 1
1 366 . 11 1 1 A 36 36 LEU N N 36 129.320 129.462 -0.142 1
1 367 . 11 1 1 A 37 37 GLU H H 37 7.569 7.845 -0.276 1
1 368 . 11 1 1 A 37 37 GLU HA H 37 4.414 4.761 -0.347 1
1 373 . 11 1 1 A 37 37 GLU C C 37 174.132 174.167 -0.035 1
1 374 . 11 1 1 A 37 37 GLU CA C 37 56.244 55.152 1.092 1
1 375 . 11 1 1 A 37 37 GLU CB C 37 33.236 33.358 -0.122 1
1 377 . 11 1 1 A 37 37 GLU N N 37 116.925 114.540 2.385 1
1 378 . 11 1 1 A 38 38 LYS H H 38 8.693 8.446 0.247 1
1 379 . 11 1 1 A 38 38 LYS HA H 38 4.181 5.249 -1.068 1
1 388 . 11 1 1 A 38 38 LYS C C 38 175.877 175.361 0.516 1
1 389 . 11 1 1 A 38 38 LYS CA C 38 55.579 54.754 0.825 1
1 390 . 11 1 1 A 38 38 LYS CB C 38 34.965 35.832 -0.867 1
1 394 . 11 1 1 A 38 38 LYS N N 38 124.828 121.747 3.081 1
1 395 . 11 1 1 A 39 39 GLN H H 39 7.682 8.774 -1.092 1
1 396 . 11 1 1 A 39 39 GLN HA H 39 4.896 4.863 0.033 1
1 403 . 11 1 1 A 39 39 GLN C C 39 177.964 176.386 1.578 1
1 404 . 11 1 1 A 39 39 GLN CA C 39 55.324 54.758 0.566 1
1 405 . 11 1 1 A 39 39 GLN CB C 39 31.670 30.824 0.846 1
1 407 . 11 1 1 A 39 39 GLN N N 39 119.391 122.344 -2.953 1
1 409 . 11 1 1 A 40 40 GLU HA H 40 4.308 4.005 0.303 1
1 414 . 11 1 1 A 40 40 GLU C C 40 176.777 178.153 -1.376 1
1 415 . 11 1 1 A 40 40 GLU CA C 40 58.541 60.271 -1.730 1
1 416 . 11 1 1 A 40 40 GLU CB C 40 29.363 29.574 -0.211 1
1 418 . 11 1 1 A 41 41 SER H H 41 7.986 7.886 0.100 1
1 419 . 11 1 1 A 41 41 SER HA H 41 4.413 4.345 0.068 1
1 422 . 11 1 1 A 41 41 SER C C 41 175.434 174.644 0.790 1
1 423 . 11 1 1 A 41 41 SER CA C 41 58.707 60.931 -2.224 1
1 424 . 11 1 1 A 41 41 SER CB C 41 63.871 63.712 0.159 1
1 425 . 11 1 1 A 41 41 SER N N 41 113.216 114.748 -1.532 1
1 426 . 11 1 1 A 42 42 GLY H H 42 8.135 8.220 -0.085 1
1 427 . 11 1 1 A 42 42 GLY HA2 H 42 4.347 3.933 0.414 1
1 428 . 11 1 1 A 42 42 GLY HA3 H 42 3.625 4.111 -0.486 1
1 429 . 11 1 1 A 42 42 GLY C C 42 173.338 174.530 -1.192 1
1 430 . 11 1 1 A 42 42 GLY CA C 42 44.998 45.383 -0.385 1
1 431 . 11 1 1 A 42 42 GLY N N 42 108.513 108.191 0.322 1
1 432 . 11 1 1 A 43 43 TRP H H 43 7.820 7.937 -0.117 1
1 433 . 11 1 1 A 43 43 TRP HA H 43 4.942 4.472 0.470 1
1 442 . 11 1 1 A 43 43 TRP C C 43 174.648 176.501 -1.853 1
1 443 . 11 1 1 A 43 43 TRP CA C 43 57.245 58.070 -0.825 1
1 444 . 11 1 1 A 43 43 TRP CB C 43 30.102 29.614 0.488 1
1 450 . 11 1 1 A 43 43 TRP N N 43 122.320 120.735 1.585 1
1 452 . 11 1 1 A 44 44 TRP H H 44 9.769 8.852 0.917 1
1 453 . 11 1 1 A 44 44 TRP HA H 44 5.875 5.483 0.392 1
1 462 . 11 1 1 A 44 44 TRP C C 44 173.703 175.130 -1.427 1
1 463 . 11 1 1 A 44 44 TRP CA C 44 53.298 54.826 -1.528 1
1 464 . 11 1 1 A 44 44 TRP CB C 44 32.961 31.934 1.027 1
1 470 . 11 1 1 A 44 44 TRP N N 44 125.138 123.963 1.175 1
1 472 . 11 1 1 A 45 45 TYR H H 45 9.168 8.902 0.266 1
1 473 . 11 1 1 A 45 45 TYR HA H 45 4.173 4.318 -0.145 1
1 480 . 11 1 1 A 45 45 TYR C C 45 175.086 174.778 0.308 1
1 481 . 11 1 1 A 45 45 TYR CA C 45 58.044 56.723 1.321 1
1 482 . 11 1 1 A 45 45 TYR CB C 45 38.792 38.142 0.650 1
1 487 . 11 1 1 A 45 45 TYR N N 45 127.429 126.205 1.224 1
1 488 . 11 1 1 A 46 46 VAL H H 46 8.689 8.629 0.060 1
1 489 . 11 1 1 A 46 46 VAL HA H 46 5.142 5.200 -0.058 1
1 497 . 11 1 1 A 46 46 VAL C C 46 172.384 173.576 -1.192 1
1 498 . 11 1 1 A 46 46 VAL CA C 46 59.010 59.564 -0.554 1
1 499 . 11 1 1 A 46 46 VAL CB C 46 35.502 33.742 1.760 1
1 502 . 11 1 1 A 46 46 VAL N N 46 124.245 122.110 2.135 1
1 503 . 11 1 1 A 47 47 ARG H H 47 9.049 8.217 0.832 1
1 504 . 11 1 1 A 47 47 ARG HA H 47 5.163 5.282 -0.119 1
1 512 . 11 1 1 A 47 47 ARG C C 47 175.057 173.849 1.208 1
1 513 . 11 1 1 A 47 47 ARG CA C 47 54.158 54.173 -0.015 1
1 514 . 11 1 1 A 47 47 ARG CB C 47 34.146 33.738 0.408 1
1 517 . 11 1 1 A 47 47 ARG N N 47 120.700 121.227 -0.527 1
1 519 . 11 1 1 A 48 48 PHE H H 48 9.042 9.207 -0.165 1
1 520 . 11 1 1 A 48 48 PHE HA H 48 5.296 4.735 0.561 1
1 528 . 11 1 1 A 48 48 PHE C C 48 175.133 175.605 -0.472 1
1 529 . 11 1 1 A 48 48 PHE CA C 48 54.446 57.016 -2.570 1
1 530 . 11 1 1 A 48 48 PHE CB C 48 40.369 41.023 -0.654 1
1 536 . 11 1 1 A 48 48 PHE N N 48 128.029 127.605 0.424 1
1 537 . 11 1 1 A 49 49 GLY H H 49 9.103 8.811 0.292 1
1 538 . 11 1 1 A 49 49 GLY HA2 H 49 3.644 3.583 0.061 1
1 539 . 11 1 1 A 49 49 GLY HA3 H 49 3.503 3.689 -0.186 1
1 540 . 11 1 1 A 49 49 GLY C C 49 174.287 174.513 -0.226 1
1 541 . 11 1 1 A 49 49 GLY CA C 49 47.008 47.131 -0.123 1
1 542 . 11 1 1 A 49 49 GLY N N 49 118.890 115.955 2.935 1
1 543 . 11 1 1 A 50 50 GLU H H 50 8.920 8.661 0.259 1
1 544 . 11 1 1 A 50 50 GLU HA H 50 4.333 4.514 -0.181 1
1 549 . 11 1 1 A 50 50 GLU C C 50 176.000 174.610 1.390 1
1 550 . 11 1 1 A 50 50 GLU CA C 50 56.080 55.426 0.654 1
1 551 . 11 1 1 A 50 50 GLU CB C 50 30.022 30.469 -0.447 1
1 553 . 11 1 1 A 50 50 GLU N N 50 125.280 125.807 -0.527 1
1 554 . 11 1 1 A 51 51 LEU H H 51 7.792 7.484 0.308 1
1 555 . 11 1 1 A 51 51 LEU HA H 51 4.635 4.899 -0.264 1
1 565 . 11 1 1 A 51 51 LEU C C 51 175.050 175.046 0.004 1
1 566 . 11 1 1 A 51 51 LEU CA C 51 54.074 53.537 0.537 1
1 567 . 11 1 1 A 51 51 LEU CB C 51 44.171 47.538 -3.367 1
1 571 . 11 1 1 A 51 51 LEU N N 51 121.706 121.184 0.522 1
1 572 . 11 1 1 A 52 52 GLU H H 52 8.165 8.654 -0.489 1
1 573 . 11 1 1 A 52 52 GLU HA H 52 5.476 5.180 0.296 1
1 578 . 11 1 1 A 52 52 GLU C C 52 176.062 174.955 1.107 1
1 579 . 11 1 1 A 52 52 GLU CA C 52 53.810 54.753 -0.943 1
1 580 . 11 1 1 A 52 52 GLU CB C 52 33.486 32.675 0.811 1
1 582 . 11 1 1 A 52 52 GLU N N 52 116.700 119.750 -3.050 1
1 583 . 11 1 1 A 53 53 GLY H H 53 8.091 8.415 -0.324 1
1 584 . 11 1 1 A 53 53 GLY HA2 H 53 3.882 4.508 -0.626 1
1 585 . 11 1 1 A 53 53 GLY HA3 H 53 3.730 4.570 -0.840 1
1 586 . 11 1 1 A 53 53 GLY C C 53 170.279 171.807 -1.528 1
1 587 . 11 1 1 A 53 53 GLY CA C 53 45.344 44.435 0.909 1
1 588 . 11 1 1 A 53 53 GLY N N 53 106.613 110.734 -4.121 1
1 589 . 11 1 1 A 54 54 TRP H H 54 8.595 8.961 -0.366 1
1 590 . 11 1 1 A 54 54 TRP HA H 54 5.348 5.394 -0.046 1
1 599 . 11 1 1 A 54 54 TRP C C 54 175.873 176.284 -0.411 1
1 600 . 11 1 1 A 54 54 TRP CA C 54 57.602 57.277 0.325 1
1 601 . 11 1 1 A 54 54 TRP CB C 54 31.176 29.594 1.582 1
1 607 . 11 1 1 A 54 54 TRP N N 54 120.550 121.131 -0.581 1
1 609 . 11 1 1 A 55 55 ALA H H 55 9.993 9.290 0.703 1
1 610 . 11 1 1 A 55 55 ALA HA H 55 4.978 4.509 0.469 1
1 614 . 11 1 1 A 55 55 ALA C C 55 173.642 174.773 -1.131 1
1 615 . 11 1 1 A 55 55 ALA CA C 55 49.335 49.161 0.174 1
1 616 . 11 1 1 A 55 55 ALA CB C 55 22.101 20.844 1.257 1
1 617 . 11 1 1 A 55 55 ALA N N 55 122.386 128.133 -5.747 1
1 618 . 11 1 1 A 56 56 PRO HA H 56 3.586 3.811 -0.225 1
1 625 . 11 1 1 A 56 56 PRO C C 56 178.765 176.966 1.799 1
1 626 . 11 1 1 A 56 56 PRO CA C 56 61.218 62.025 -0.807 1
1 627 . 11 1 1 A 56 56 PRO CB C 56 30.430 31.204 -0.774 1
1 630 . 11 1 1 A 57 57 SER H H 57 8.187 7.471 0.716 1
1 631 . 11 1 1 A 57 57 SER HA H 57 2.721 3.300 -0.579 1
1 634 . 11 1 1 A 57 57 SER C C 57 175.094 175.581 -0.487 1
1 635 . 11 1 1 A 57 57 SER CA C 57 60.865 60.020 0.845 1
1 636 . 11 1 1 A 57 57 SER CB C 57 60.645 61.678 -1.033 1
1 637 . 11 1 1 A 57 57 SER N N 57 120.088 121.404 -1.316 1
1 638 . 11 1 1 A 58 58 HIS H H 58 7.482 7.102 0.380 1
1 639 . 11 1 1 A 58 58 HIS HA H 58 4.433 4.104 0.329 1
1 644 . 11 1 1 A 58 58 HIS C C 58 175.763 177.262 -1.499 1
1 645 . 11 1 1 A 58 58 HIS CA C 58 56.938 59.433 -2.495 1
1 646 . 11 1 1 A 58 58 HIS CB C 58 28.597 29.869 -1.272 1
1 649 . 11 1 1 A 58 58 HIS N N 58 115.490 119.056 -3.566 1
1 650 . 11 1 1 A 59 59 TYR H H 59 7.251 7.808 -0.557 1
1 651 . 11 1 1 A 59 59 TYR HA H 59 4.366 4.318 0.048 1
1 658 . 11 1 1 A 59 59 TYR C C 59 173.874 176.257 -2.383 1
1 659 . 11 1 1 A 59 59 TYR CA C 59 58.862 60.153 -1.291 1
1 660 . 11 1 1 A 59 59 TYR CB C 59 36.586 39.741 -3.155 1
1 665 . 11 1 1 A 59 59 TYR N N 59 120.460 116.508 3.952 1
1 666 . 11 1 1 A 60 60 LEU H H 60 7.574 6.918 0.656 1
1 667 . 11 1 1 A 60 60 LEU HA H 60 4.964 4.260 0.704 1
1 677 . 11 1 1 A 60 60 LEU C C 60 175.663 176.502 -0.839 1
1 678 . 11 1 1 A 60 60 LEU CA C 60 53.709 55.203 -1.494 1
1 679 . 11 1 1 A 60 60 LEU CB C 60 42.879 42.241 0.638 1
1 683 . 11 1 1 A 60 60 LEU N N 60 121.690 119.701 1.989 1
1 684 . 11 1 1 A 61 61 VAL H H 61 9.082 8.366 0.716 1
1 685 . 11 1 1 A 61 61 VAL HA H 61 4.309 4.734 -0.425 1
1 693 . 11 1 1 A 61 61 VAL C C 61 174.803 174.293 0.510 1
1 694 . 11 1 1 A 61 61 VAL CA C 61 61.381 60.877 0.504 1
1 695 . 11 1 1 A 61 61 VAL CB C 61 33.607 33.634 -0.027 1
1 698 . 11 1 1 A 61 61 VAL N N 61 119.010 125.111 -6.101 1
1 699 . 11 1 1 A 62 62 LEU H H 62 8.307 8.812 -0.505 1
1 700 . 11 1 1 A 62 62 LEU HA H 62 4.288 4.943 -0.655 1
1 710 . 11 1 1 A 62 62 LEU C C 62 176.976 177.120 -0.144 1
1 711 . 11 1 1 A 62 62 LEU CA C 62 54.807 54.151 0.656 1
1 712 . 11 1 1 A 62 62 LEU CB C 62 42.932 41.047 1.885 1
1 716 . 11 1 1 A 62 62 LEU N N 62 127.895 130.303 -2.408 1
1 717 . 11 1 1 A 63 63 ASP H H 63 8.475 8.860 -0.385 1
1 718 . 11 1 1 A 63 63 ASP HA H 63 4.595 4.188 0.407 1
1 721 . 11 1 1 A 63 63 ASP C C 63 176.269 175.442 0.827 1
1 722 . 11 1 1 A 63 63 ASP CA C 63 53.903 54.954 -1.051 1
1 723 . 11 1 1 A 63 63 ASP CB C 63 41.618 39.420 2.198 1
1 724 . 11 1 1 A 63 63 ASP N N 63 122.904 123.847 -0.943 1
1 725 . 11 1 1 A 64 64 GLU H H 64 8.528 7.904 0.624 1
1 726 . 11 1 1 A 64 64 GLU HA H 64 4.220 4.634 -0.414 1
1 731 . 11 1 1 A 64 64 GLU C C 64 176.504 175.852 0.652 1
1 732 . 11 1 1 A 64 64 GLU CA C 64 57.043 55.494 1.549 1
1 733 . 11 1 1 A 64 64 GLU CB C 64 30.214 31.635 -1.421 1
1 735 . 11 1 1 A 64 64 GLU N N 64 122.471 119.199 3.272 1
1 736 . 11 1 1 A 65 65 ASN H H 65 8.523 8.566 -0.043 1
1 737 . 11 1 1 A 65 65 ASN HA H 65 4.661 4.553 0.108 1
1 742 . 11 1 1 A 65 65 ASN C C 65 175.223 175.153 0.070 1
1 743 . 11 1 1 A 65 65 ASN CA C 65 53.674 54.026 -0.352 1
1 744 . 11 1 1 A 65 65 ASN CB C 65 39.088 38.172 0.916 1
1 745 . 11 1 1 A 65 65 ASN N N 65 118.895 120.159 -1.264 1
1 747 . 11 1 1 A 66 66 GLU H H 66 8.222 8.600 -0.378 1
1 748 . 11 1 1 A 66 66 GLU HA H 66 4.293 4.866 -0.573 1
1 753 . 11 1 1 A 66 66 GLU C C 66 176.054 175.172 0.882 1
1 754 . 11 1 1 A 66 66 GLU CA C 66 56.432 54.731 1.701 1
1 755 . 11 1 1 A 66 66 GLU CB C 66 30.476 33.410 -2.934 1
1 757 . 11 1 1 A 66 66 GLU N N 66 120.919 124.109 -3.190 1
1 758 . 11 1 1 A 67 67 GLN H H 67 8.293 8.419 -0.126 1
1 759 . 11 1 1 A 67 67 GLN HA H 67 4.582 4.202 0.380 1
1 766 . 11 1 1 A 67 67 GLN C C 67 173.836 174.423 -0.587 1
1 767 . 11 1 1 A 67 67 GLN CA C 67 53.593 54.839 -1.246 1
1 768 . 11 1 1 A 67 67 GLN CB C 67 28.949 28.317 0.632 1
1 770 . 11 1 1 A 67 67 GLN N N 67 122.295 125.136 -2.841 1
1 772 . 11 1 1 A 68 68 PRO HA H 68 4.401 4.674 -0.273 1
1 779 . 11 1 1 A 68 68 PRO CA C 68 62.882 62.815 0.067 1
1 780 . 11 1 1 A 68 68 PRO CB C 68 32.175 32.545 -0.370 1
1 783 . 11 1 1 A 69 69 ASP H H 69 8.502 8.501 0.001 1
1 784 . 11 1 1 A 69 69 ASP HA H 69 4.836 5.216 -0.380 1
1 787 . 11 1 1 A 69 69 ASP CA C 69 51.945 50.948 0.997 1
1 788 . 11 1 1 A 69 69 ASP CB C 69 41.305 42.113 -0.808 1
1 789 . 11 1 1 A 69 69 ASP N N 69 121.937 121.742 0.195 1
1 790 . 11 1 1 A 70 70 PRO HA H 70 4.437 4.418 0.019 1
1 797 . 11 1 1 A 70 70 PRO C C 70 177.484 177.707 -0.223 1
1 798 . 11 1 1 A 70 70 PRO CA C 70 63.777 64.429 -0.652 1
1 799 . 11 1 1 A 70 70 PRO CB C 70 32.027 31.965 0.062 1
1 802 . 11 1 1 A 71 71 SER H H 71 8.506 7.986 0.520 1
1 803 . 11 1 1 A 71 71 SER HA H 71 4.364 4.186 0.178 1
1 806 . 11 1 1 A 71 71 SER C C 71 175.439 174.666 0.773 1
1 807 . 11 1 1 A 71 71 SER CA C 71 59.261 60.762 -1.501 1
1 808 . 11 1 1 A 71 71 SER CB C 71 63.771 63.542 0.229 1
1 809 . 11 1 1 A 71 71 SER N N 71 115.901 111.086 4.815 1
1 810 . 11 1 1 A 72 72 GLY H H 72 8.258 7.783 0.475 1
1 811 . 11 1 1 A 72 72 GLY HA2 H 72 3.958 3.975 -0.017 1
1 812 . 11 1 1 A 72 72 GLY HA3 H 72 3.958 3.976 -0.018 1
1 813 . 11 1 1 A 72 72 GLY C C 72 174.314 173.025 1.289 1
1 814 . 11 1 1 A 72 72 GLY CA C 72 45.469 44.924 0.545 1
1 815 . 11 1 1 A 72 72 GLY N N 72 110.595 109.472 1.123 1
1 816 . 11 1 1 A 73 73 LYS H H 73 8.052 8.347 -0.295 1
1 817 . 11 1 1 A 73 73 LYS HA H 73 4.305 4.973 -0.668 1
1 826 . 11 1 1 A 73 73 LYS C C 73 176.792 173.854 2.938 1
1 827 . 11 1 1 A 73 73 LYS CA C 73 56.420 55.191 1.229 1
1 828 . 11 1 1 A 73 73 LYS CB C 73 33.082 35.506 -2.424 1
1 832 . 11 1 1 A 73 73 LYS N N 73 120.614 115.634 4.980 1
1 833 . 11 1 1 A 74 74 GLU H H 74 8.559 8.929 -0.370 1
1 834 . 11 1 1 A 74 74 GLU HA H 74 4.305 5.126 -0.821 1
1 839 . 11 1 1 A 74 74 GLU C C 74 176.648 174.370 2.278 1
1 840 . 11 1 1 A 74 74 GLU CA C 74 56.446 54.969 1.477 1
1 841 . 11 1 1 A 74 74 GLU CB C 74 30.215 32.373 -2.158 1
1 843 . 11 1 1 A 74 74 GLU N N 74 122.000 121.265 0.735 1
1 844 . 11 1 1 A 75 75 SER H H 75 8.364 9.011 -0.647 1
1 845 . 11 1 1 A 75 75 SER HA H 75 4.450 5.490 -1.040 1
1 846 . 11 1 1 A 75 75 SER C C 75 174.540 173.256 1.284 1
1 847 . 11 1 1 A 75 75 SER CA C 75 58.538 56.388 2.150 1
1 848 . 11 1 1 A 75 75 SER CB C 75 63.977 65.585 -1.608 1
1 849 . 11 1 1 A 75 75 SER N N 75 116.992 122.660 -5.668 1
1 850 . 11 1 1 A 76 76 GLY H H 76 8.243 8.219 0.024 1
1 851 . 11 1 1 A 76 76 GLY HA2 H 76 4.157 4.244 -0.087 1
1 852 . 11 1 1 A 76 76 GLY HA3 H 76 4.058 4.244 -0.186 1
1 853 . 11 1 1 A 76 76 GLY CA C 76 44.680 45.508 -0.828 1
1 854 . 11 1 1 A 76 76 GLY N N 76 110.704 111.892 -1.188 1
1 855 . 11 1 1 A 77 77 PRO HA H 77 4.463 4.232 0.231 1
1 862 . 11 1 1 A 77 77 PRO C C 77 177.454 177.245 0.209 1
1 863 . 11 1 1 A 77 77 PRO CA C 77 63.202 63.590 -0.388 1
1 864 . 11 1 1 A 77 77 PRO CB C 77 32.276 31.793 0.483 1
1 867 . 11 1 1 A 78 78 SER H H 78 8.535 8.845 -0.310 1
1 870 . 11 1 1 A 78 78 SER C C 78 174.735 173.901 0.834 1
1 871 . 11 1 1 A 78 78 SER CA C 78 58.373 59.362 -0.989 1
1 872 . 11 1 1 A 78 78 SER CB C 78 63.977 62.470 1.507 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.494 4.522 -0.028 1
1 2 . 12 1 1 A 6 6 SER CA C 6 58.785 58.167 0.618 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.483 61.937 1.546 1
1 4 . 12 1 1 A 7 7 GLY H H 7 8.367 8.657 -0.290 1
1 5 . 12 1 1 A 7 7 GLY HA2 H 7 3.955 4.008 -0.053 1
1 6 . 12 1 1 A 7 7 GLY HA3 H 7 3.955 4.010 -0.055 1
1 7 . 12 1 1 A 7 7 GLY C C 7 173.640 173.451 0.189 1
1 8 . 12 1 1 A 7 7 GLY CA C 7 45.215 46.087 -0.872 1
1 9 . 12 1 1 A 7 7 GLY N N 7 110.787 112.525 -1.738 1
1 10 . 12 1 1 A 8 8 ALA H H 8 8.126 7.615 0.511 1
1 11 . 12 1 1 A 8 8 ALA HA H 8 4.458 5.013 -0.555 1
1 15 . 12 1 1 A 8 8 ALA C C 8 177.711 175.015 2.696 1
1 16 . 12 1 1 A 8 8 ALA CA C 8 52.493 51.038 1.455 1
1 17 . 12 1 1 A 8 8 ALA CB C 8 19.761 23.728 -3.967 1
1 18 . 12 1 1 A 8 8 ALA N N 8 123.680 122.324 1.356 1
1 19 . 12 1 1 A 9 9 THR H H 9 8.254 8.728 -0.474 1
1 20 . 12 1 1 A 9 9 THR HA H 9 4.527 5.039 -0.512 1
1 25 . 12 1 1 A 9 9 THR C C 9 174.050 174.079 -0.029 1
1 26 . 12 1 1 A 9 9 THR CA C 9 61.874 61.622 0.252 1
1 27 . 12 1 1 A 9 9 THR CB C 9 70.580 71.485 -0.905 1
1 29 . 12 1 1 A 9 9 THR N N 9 113.196 113.270 -0.074 1
1 30 . 12 1 1 A 10 10 SER H H 10 8.264 8.982 -0.718 1
1 31 . 12 1 1 A 10 10 SER HA H 10 5.228 5.414 -0.186 1
1 34 . 12 1 1 A 10 10 SER C C 10 173.318 173.880 -0.562 1
1 35 . 12 1 1 A 10 10 SER CA C 10 58.404 57.472 0.932 1
1 36 . 12 1 1 A 10 10 SER CB C 10 64.098 64.407 -0.309 1
1 37 . 12 1 1 A 10 10 SER N N 10 120.509 121.716 -1.207 1
1 38 . 12 1 1 A 11 11 TYR H H 11 8.957 9.092 -0.135 1
1 39 . 12 1 1 A 11 11 TYR HA H 11 4.793 5.248 -0.455 1
1 46 . 12 1 1 A 11 11 TYR C C 11 174.111 174.201 -0.090 1
1 47 . 12 1 1 A 11 11 TYR CA C 11 57.097 56.490 0.607 1
1 48 . 12 1 1 A 11 11 TYR CB C 11 43.764 42.714 1.050 1
1 53 . 12 1 1 A 11 11 TYR N N 11 124.069 120.642 3.427 1
1 54 . 12 1 1 A 12 12 MET H H 12 8.985 8.857 0.128 1
1 55 . 12 1 1 A 12 12 MET HA H 12 5.463 5.262 0.201 1
1 63 . 12 1 1 A 12 12 MET C C 12 177.045 174.951 2.094 1
1 64 . 12 1 1 A 12 12 MET CA C 12 52.215 53.930 -1.715 1
1 65 . 12 1 1 A 12 12 MET CB C 12 33.195 35.853 -2.658 1
1 68 . 12 1 1 A 12 12 MET N N 12 118.428 120.827 -2.399 1
1 69 . 12 1 1 A 13 13 THR H H 13 9.132 8.496 0.636 1
1 70 . 12 1 1 A 13 13 THR HA H 13 4.872 5.018 -0.146 1
1 75 . 12 1 1 A 13 13 THR C C 13 177.032 174.803 2.229 1
1 76 . 12 1 1 A 13 13 THR CA C 13 60.003 60.605 -0.602 1
1 77 . 12 1 1 A 13 13 THR CB C 13 69.597 70.328 -0.731 1
1 79 . 12 1 1 A 13 13 THR N N 13 113.981 113.245 0.736 1
1 80 . 12 1 1 A 14 14 CYS H H 14 9.504 8.374 1.130 1
1 81 . 12 1 1 A 14 14 CYS HA H 14 4.806 4.572 0.234 1
1 84 . 12 1 1 A 14 14 CYS C C 14 173.712 174.707 -0.995 1
1 85 . 12 1 1 A 14 14 CYS CA C 14 57.209 60.213 -3.004 1
1 86 . 12 1 1 A 14 14 CYS CB C 14 28.772 29.558 -0.786 1
1 87 . 12 1 1 A 14 14 CYS N N 14 122.485 123.104 -0.619 1
1 88 . 12 1 1 A 15 15 SER H H 15 7.796 7.781 0.015 1
1 89 . 12 1 1 A 15 15 SER HA H 15 4.578 4.855 -0.277 1
1 92 . 12 1 1 A 15 15 SER C C 15 171.037 172.765 -1.728 1
1 93 . 12 1 1 A 15 15 SER CA C 15 56.858 56.904 -0.046 1
1 94 . 12 1 1 A 15 15 SER CB C 15 66.124 65.777 0.347 1
1 95 . 12 1 1 A 15 15 SER N N 15 116.311 113.368 2.943 1
1 96 . 12 1 1 A 16 16 ALA H H 16 8.398 8.440 -0.042 1
1 97 . 12 1 1 A 16 16 ALA HA H 16 4.582 4.985 -0.403 1
1 101 . 12 1 1 A 16 16 ALA C C 16 176.897 176.041 0.856 1
1 102 . 12 1 1 A 16 16 ALA CA C 16 52.085 51.432 0.653 1
1 103 . 12 1 1 A 16 16 ALA CB C 16 19.720 19.843 -0.123 1
1 104 . 12 1 1 A 16 16 ALA N N 16 124.071 126.193 -2.122 1
1 105 . 12 1 1 A 17 17 TYR H H 17 8.401 8.151 0.250 1
1 106 . 12 1 1 A 17 17 TYR HA H 17 4.384 4.902 -0.518 1
1 113 . 12 1 1 A 17 17 TYR C C 17 173.836 173.508 0.328 1
1 114 . 12 1 1 A 17 17 TYR CA C 17 57.801 56.569 1.232 1
1 115 . 12 1 1 A 17 17 TYR CB C 17 42.166 40.941 1.225 1
1 120 . 12 1 1 A 17 17 TYR N N 17 121.997 125.608 -3.611 1
1 121 . 12 1 1 A 18 18 GLN H H 18 6.844 8.111 -1.267 1
1 122 . 12 1 1 A 18 18 GLN HA H 18 4.318 4.616 -0.298 1
1 129 . 12 1 1 A 18 18 GLN C C 18 172.990 175.125 -2.135 1
1 130 . 12 1 1 A 18 18 GLN CA C 18 52.767 53.708 -0.941 1
1 131 . 12 1 1 A 18 18 GLN CB C 18 29.940 30.858 -0.918 1
1 133 . 12 1 1 A 18 18 GLN N N 18 127.603 127.066 0.537 1
1 135 . 12 1 1 A 19 19 LYS H H 19 8.155 8.400 -0.245 1
1 136 . 12 1 1 A 19 19 LYS HA H 19 4.130 4.826 -0.696 1
1 145 . 12 1 1 A 19 19 LYS C C 19 175.995 176.678 -0.683 1
1 146 . 12 1 1 A 19 19 LYS CA C 19 56.489 55.226 1.263 1
1 147 . 12 1 1 A 19 19 LYS CB C 19 33.369 34.089 -0.720 1
1 151 . 12 1 1 A 19 19 LYS N N 19 123.114 123.016 0.098 1
1 152 . 12 1 1 A 20 20 VAL H H 20 8.679 8.350 0.329 1
1 153 . 12 1 1 A 20 20 VAL HA H 20 4.153 4.217 -0.064 1
1 161 . 12 1 1 A 20 20 VAL C C 20 176.493 176.187 0.306 1
1 162 . 12 1 1 A 20 20 VAL CA C 20 62.520 63.128 -0.608 1
1 163 . 12 1 1 A 20 20 VAL CB C 20 32.847 32.601 0.246 1
1 166 . 12 1 1 A 20 20 VAL N N 20 120.106 120.140 -0.034 1
1 167 . 12 1 1 A 21 21 GLN H H 21 7.133 7.657 -0.524 1
1 168 . 12 1 1 A 21 21 GLN HA H 21 4.582 4.733 -0.151 1
1 175 . 12 1 1 A 21 21 GLN C C 21 177.019 175.778 1.241 1
1 176 . 12 1 1 A 21 21 GLN CA C 21 54.291 54.403 -0.112 1
1 177 . 12 1 1 A 21 21 GLN CB C 21 31.023 31.423 -0.400 1
1 179 . 12 1 1 A 21 21 GLN N N 21 116.079 121.586 -5.507 1
1 181 . 12 1 1 A 22 22 ASP H H 22 8.858 8.985 -0.127 1
1 182 . 12 1 1 A 22 22 ASP HA H 22 4.318 4.334 -0.016 1
1 185 . 12 1 1 A 22 22 ASP C C 22 176.746 178.005 -1.259 1
1 186 . 12 1 1 A 22 22 ASP CA C 22 57.752 57.478 0.274 1
1 187 . 12 1 1 A 22 22 ASP CB C 22 40.859 40.483 0.376 1
1 188 . 12 1 1 A 22 22 ASP N N 22 120.173 124.504 -4.331 1
1 189 . 12 1 1 A 23 23 SER H H 23 7.860 8.206 -0.346 1
1 190 . 12 1 1 A 23 23 SER HA H 23 4.648 4.268 0.380 1
1 193 . 12 1 1 A 23 23 SER C C 23 175.526 175.616 -0.090 1
1 194 . 12 1 1 A 23 23 SER CA C 23 58.597 61.696 -3.099 1
1 195 . 12 1 1 A 23 23 SER CB C 23 62.993 63.277 -0.284 1
1 196 . 12 1 1 A 23 23 SER N N 23 110.013 115.233 -5.220 1
1 197 . 12 1 1 A 24 24 GLU H H 24 7.579 8.164 -0.585 1
1 198 . 12 1 1 A 24 24 GLU HA H 24 5.574 4.685 0.889 1
1 203 . 12 1 1 A 24 24 GLU C C 24 174.394 175.278 -0.884 1
1 204 . 12 1 1 A 24 24 GLU CA C 24 55.633 57.338 -1.705 1
1 205 . 12 1 1 A 24 24 GLU CB C 24 32.848 30.807 2.041 1
1 207 . 12 1 1 A 24 24 GLU N N 24 122.542 119.183 3.359 1
1 208 . 12 1 1 A 25 25 ILE H H 25 7.894 8.797 -0.903 1
1 209 . 12 1 1 A 25 25 ILE HA H 25 4.661 4.991 -0.330 1
1 219 . 12 1 1 A 25 25 ILE C C 25 171.519 174.240 -2.721 1
1 220 . 12 1 1 A 25 25 ILE CA C 25 58.838 59.453 -0.615 1
1 221 . 12 1 1 A 25 25 ILE CB C 25 42.673 42.281 0.392 1
1 225 . 12 1 1 A 25 25 ILE N N 25 117.944 123.250 -5.306 1
1 226 . 12 1 1 A 26 26 SER H H 26 7.535 8.970 -1.435 1
1 227 . 12 1 1 A 26 26 SER HA H 26 4.885 5.511 -0.626 1
1 230 . 12 1 1 A 26 26 SER C C 26 174.052 173.879 0.173 1
1 231 . 12 1 1 A 26 26 SER CA C 26 56.515 57.168 -0.653 1
1 232 . 12 1 1 A 26 26 SER CB C 26 65.131 64.801 0.330 1
1 233 . 12 1 1 A 26 26 SER N N 26 116.426 123.508 -7.082 1
1 234 . 12 1 1 A 27 27 PHE H H 27 8.271 7.845 0.426 1
1 235 . 12 1 1 A 27 27 PHE HA H 27 4.934 5.051 -0.117 1
1 243 . 12 1 1 A 27 27 PHE C C 27 173.278 173.160 0.118 1
1 244 . 12 1 1 A 27 27 PHE CA C 27 53.758 54.561 -0.803 1
1 245 . 12 1 1 A 27 27 PHE CB C 27 37.379 41.728 -4.349 1
1 251 . 12 1 1 A 27 27 PHE N N 27 116.221 118.987 -2.766 1
1 252 . 12 1 1 A 28 28 PRO HA H 28 4.872 4.694 0.178 1
1 259 . 12 1 1 A 28 28 PRO C C 28 176.165 175.615 0.550 1
1 260 . 12 1 1 A 28 28 PRO CA C 28 61.019 62.513 -1.494 1
1 261 . 12 1 1 A 28 28 PRO CB C 28 32.410 32.912 -0.502 1
1 264 . 12 1 1 A 29 29 ALA H H 29 8.513 8.383 0.130 1
1 265 . 12 1 1 A 29 29 ALA HA H 29 3.822 4.732 -0.910 1
1 269 . 12 1 1 A 29 29 ALA C C 29 178.074 177.930 0.144 1
1 270 . 12 1 1 A 29 29 ALA CA C 29 52.670 52.121 0.549 1
1 271 . 12 1 1 A 29 29 ALA CB C 29 19.721 19.641 0.080 1
1 272 . 12 1 1 A 29 29 ALA N N 29 120.286 123.698 -3.412 1
1 273 . 12 1 1 A 30 30 GLY H H 30 8.022 8.635 -0.613 1
1 274 . 12 1 1 A 30 30 GLY HA2 H 30 3.956 4.125 -0.169 1
1 275 . 12 1 1 A 30 30 GLY HA3 H 30 3.733 4.128 -0.395 1
1 276 . 12 1 1 A 30 30 GLY C C 30 174.944 173.776 1.168 1
1 277 . 12 1 1 A 30 30 GLY CA C 30 46.739 45.153 1.586 1
1 278 . 12 1 1 A 30 30 GLY N N 30 110.746 111.400 -0.654 1
1 279 . 12 1 1 A 31 31 VAL H H 31 7.736 7.460 0.276 1
1 280 . 12 1 1 A 31 31 VAL HA H 31 4.753 4.886 -0.133 1
1 288 . 12 1 1 A 31 31 VAL C C 31 173.642 173.834 -0.192 1
1 289 . 12 1 1 A 31 31 VAL CA C 31 58.809 59.058 -0.249 1
1 290 . 12 1 1 A 31 31 VAL CB C 31 34.719 35.568 -0.849 1
1 293 . 12 1 1 A 31 31 VAL N N 31 112.109 115.484 -3.375 1
1 294 . 12 1 1 A 32 32 GLU H H 32 8.264 8.838 -0.574 1
1 295 . 12 1 1 A 32 32 GLU HA H 32 5.090 5.219 -0.129 1
1 300 . 12 1 1 A 32 32 GLU C C 32 176.725 175.380 1.345 1
1 301 . 12 1 1 A 32 32 GLU CA C 32 55.713 54.731 0.982 1
1 302 . 12 1 1 A 32 32 GLU CB C 32 31.615 32.883 -1.268 1
1 304 . 12 1 1 A 32 32 GLU N N 32 121.304 121.881 -0.577 1
1 305 . 12 1 1 A 33 33 VAL H H 33 9.136 8.621 0.515 1
1 306 . 12 1 1 A 33 33 VAL HA H 33 5.001 4.793 0.208 1
1 314 . 12 1 1 A 33 33 VAL C C 33 174.395 174.291 0.104 1
1 315 . 12 1 1 A 33 33 VAL CA C 33 58.765 58.781 -0.016 1
1 316 . 12 1 1 A 33 33 VAL CB C 33 34.596 35.983 -1.387 1
1 319 . 12 1 1 A 33 33 VAL N N 33 117.728 118.931 -1.203 1
1 320 . 12 1 1 A 34 34 GLN H H 34 8.551 8.185 0.366 1
1 321 . 12 1 1 A 34 34 GLN HA H 34 5.052 4.968 0.084 1
1 328 . 12 1 1 A 34 34 GLN C C 34 175.752 174.886 0.866 1
1 329 . 12 1 1 A 34 34 GLN CA C 34 54.328 54.348 -0.020 1
1 330 . 12 1 1 A 34 34 GLN CB C 34 30.760 31.026 -0.266 1
1 332 . 12 1 1 A 34 34 GLN N N 34 119.032 120.327 -1.295 1
1 334 . 12 1 1 A 35 35 VAL H H 35 9.180 8.708 0.472 1
1 335 . 12 1 1 A 35 35 VAL HA H 35 4.144 4.048 0.096 1
1 343 . 12 1 1 A 35 35 VAL C C 35 175.602 175.422 0.180 1
1 344 . 12 1 1 A 35 35 VAL CA C 35 63.035 63.232 -0.197 1
1 345 . 12 1 1 A 35 35 VAL CB C 35 32.056 31.040 1.016 1
1 348 . 12 1 1 A 35 35 VAL N N 35 124.135 124.941 -0.806 1
1 349 . 12 1 1 A 36 36 LEU H H 36 9.175 9.107 0.068 1
1 350 . 12 1 1 A 36 36 LEU HA H 36 4.429 4.280 0.149 1
1 360 . 12 1 1 A 36 36 LEU C C 36 177.299 176.745 0.554 1
1 361 . 12 1 1 A 36 36 LEU CA C 36 55.785 56.542 -0.757 1
1 362 . 12 1 1 A 36 36 LEU CB C 36 42.924 42.723 0.201 1
1 366 . 12 1 1 A 36 36 LEU N N 36 129.320 129.284 0.036 1
1 367 . 12 1 1 A 37 37 GLU H H 37 7.569 7.513 0.056 1
1 368 . 12 1 1 A 37 37 GLU HA H 37 4.414 4.914 -0.500 1
1 373 . 12 1 1 A 37 37 GLU C C 37 174.132 174.676 -0.544 1
1 374 . 12 1 1 A 37 37 GLU CA C 37 56.244 54.679 1.565 1
1 375 . 12 1 1 A 37 37 GLU CB C 37 33.236 33.327 -0.091 1
1 377 . 12 1 1 A 37 37 GLU N N 37 116.925 116.798 0.127 1
1 378 . 12 1 1 A 38 38 LYS H H 38 8.693 8.743 -0.050 1
1 379 . 12 1 1 A 38 38 LYS HA H 38 4.181 5.390 -1.209 1
1 388 . 12 1 1 A 38 38 LYS C C 38 175.877 175.348 0.529 1
1 389 . 12 1 1 A 38 38 LYS CA C 38 55.579 54.531 1.048 1
1 390 . 12 1 1 A 38 38 LYS CB C 38 34.965 35.338 -0.373 1
1 394 . 12 1 1 A 38 38 LYS N N 38 124.828 124.110 0.718 1
1 395 . 12 1 1 A 39 39 GLN H H 39 7.682 9.318 -1.636 1
1 396 . 12 1 1 A 39 39 GLN HA H 39 4.896 4.658 0.238 1
1 403 . 12 1 1 A 39 39 GLN C C 39 177.964 176.623 1.341 1
1 404 . 12 1 1 A 39 39 GLN CA C 39 55.324 55.823 -0.499 1
1 405 . 12 1 1 A 39 39 GLN CB C 39 31.670 29.490 2.180 1
1 407 . 12 1 1 A 39 39 GLN N N 39 119.391 123.689 -4.298 1
1 409 . 12 1 1 A 40 40 GLU HA H 40 4.308 4.104 0.204 1
1 414 . 12 1 1 A 40 40 GLU C C 40 176.777 178.515 -1.738 1
1 415 . 12 1 1 A 40 40 GLU CA C 40 58.541 60.221 -1.680 1
1 416 . 12 1 1 A 40 40 GLU CB C 40 29.363 29.339 0.024 1
1 418 . 12 1 1 A 41 41 SER H H 41 7.986 8.297 -0.311 1
1 419 . 12 1 1 A 41 41 SER HA H 41 4.413 4.264 0.149 1
1 422 . 12 1 1 A 41 41 SER C C 41 175.434 174.954 0.480 1
1 423 . 12 1 1 A 41 41 SER CA C 41 58.707 62.180 -3.473 1
1 424 . 12 1 1 A 41 41 SER CB C 41 63.871 63.240 0.631 1
1 425 . 12 1 1 A 41 41 SER N N 41 113.216 117.317 -4.101 1
1 426 . 12 1 1 A 42 42 GLY H H 42 8.135 7.738 0.397 1
1 427 . 12 1 1 A 42 42 GLY HA2 H 42 4.347 4.087 0.260 1
1 428 . 12 1 1 A 42 42 GLY HA3 H 42 3.625 4.108 -0.483 1
1 429 . 12 1 1 A 42 42 GLY C C 42 173.338 174.676 -1.338 1
1 430 . 12 1 1 A 42 42 GLY CA C 42 44.998 45.586 -0.588 1
1 431 . 12 1 1 A 42 42 GLY N N 42 108.513 106.639 1.874 1
1 432 . 12 1 1 A 43 43 TRP H H 43 7.820 8.028 -0.208 1
1 433 . 12 1 1 A 43 43 TRP HA H 43 4.942 4.563 0.379 1
1 442 . 12 1 1 A 43 43 TRP C C 43 174.648 176.730 -2.082 1
1 443 . 12 1 1 A 43 43 TRP CA C 43 57.245 58.088 -0.843 1
1 444 . 12 1 1 A 43 43 TRP CB C 43 30.102 30.432 -0.330 1
1 450 . 12 1 1 A 43 43 TRP N N 43 122.320 120.579 1.741 1
1 452 . 12 1 1 A 44 44 TRP H H 44 9.769 9.190 0.579 1
1 453 . 12 1 1 A 44 44 TRP HA H 44 5.875 5.447 0.428 1
1 462 . 12 1 1 A 44 44 TRP C C 44 173.703 175.091 -1.388 1
1 463 . 12 1 1 A 44 44 TRP CA C 44 53.298 54.895 -1.597 1
1 464 . 12 1 1 A 44 44 TRP CB C 44 32.961 32.541 0.420 1
1 470 . 12 1 1 A 44 44 TRP N N 44 125.138 123.561 1.577 1
1 472 . 12 1 1 A 45 45 TYR H H 45 9.168 9.334 -0.166 1
1 473 . 12 1 1 A 45 45 TYR HA H 45 4.173 4.309 -0.136 1
1 480 . 12 1 1 A 45 45 TYR C C 45 175.086 174.758 0.328 1
1 481 . 12 1 1 A 45 45 TYR CA C 45 58.044 56.540 1.504 1
1 482 . 12 1 1 A 45 45 TYR CB C 45 38.792 37.958 0.834 1
1 487 . 12 1 1 A 45 45 TYR N N 45 127.429 125.928 1.501 1
1 488 . 12 1 1 A 46 46 VAL H H 46 8.689 8.410 0.279 1
1 489 . 12 1 1 A 46 46 VAL HA H 46 5.142 5.109 0.033 1
1 497 . 12 1 1 A 46 46 VAL C C 46 172.384 173.641 -1.257 1
1 498 . 12 1 1 A 46 46 VAL CA C 46 59.010 59.618 -0.608 1
1 499 . 12 1 1 A 46 46 VAL CB C 46 35.502 33.899 1.603 1
1 502 . 12 1 1 A 46 46 VAL N N 46 124.245 122.477 1.768 1
1 503 . 12 1 1 A 47 47 ARG H H 47 9.049 8.240 0.809 1
1 504 . 12 1 1 A 47 47 ARG HA H 47 5.163 5.224 -0.061 1
1 512 . 12 1 1 A 47 47 ARG C C 47 175.057 173.853 1.204 1
1 513 . 12 1 1 A 47 47 ARG CA C 47 54.158 54.209 -0.051 1
1 514 . 12 1 1 A 47 47 ARG CB C 47 34.146 33.373 0.773 1
1 517 . 12 1 1 A 47 47 ARG N N 47 120.700 121.441 -0.741 1
1 519 . 12 1 1 A 48 48 PHE H H 48 9.042 8.923 0.119 1
1 520 . 12 1 1 A 48 48 PHE HA H 48 5.296 4.728 0.568 1
1 528 . 12 1 1 A 48 48 PHE C C 48 175.133 175.574 -0.441 1
1 529 . 12 1 1 A 48 48 PHE CA C 48 54.446 57.023 -2.577 1
1 530 . 12 1 1 A 48 48 PHE CB C 48 40.369 41.714 -1.345 1
1 536 . 12 1 1 A 48 48 PHE N N 48 128.029 127.680 0.349 1
1 537 . 12 1 1 A 49 49 GLY H H 49 9.103 8.669 0.434 1
1 538 . 12 1 1 A 49 49 GLY HA2 H 49 3.644 3.700 -0.056 1
1 539 . 12 1 1 A 49 49 GLY HA3 H 49 3.503 3.774 -0.271 1
1 540 . 12 1 1 A 49 49 GLY C C 49 174.287 174.552 -0.265 1
1 541 . 12 1 1 A 49 49 GLY CA C 49 47.008 47.236 -0.228 1
1 542 . 12 1 1 A 49 49 GLY N N 49 118.890 116.197 2.693 1
1 543 . 12 1 1 A 50 50 GLU H H 50 8.920 8.799 0.121 1
1 544 . 12 1 1 A 50 50 GLU HA H 50 4.333 4.527 -0.194 1
1 549 . 12 1 1 A 50 50 GLU C C 50 176.000 174.628 1.372 1
1 550 . 12 1 1 A 50 50 GLU CA C 50 56.080 55.470 0.610 1
1 551 . 12 1 1 A 50 50 GLU CB C 50 30.022 30.427 -0.405 1
1 553 . 12 1 1 A 50 50 GLU N N 50 125.280 125.984 -0.704 1
1 554 . 12 1 1 A 51 51 LEU H H 51 7.792 7.541 0.251 1
1 555 . 12 1 1 A 51 51 LEU HA H 51 4.635 4.920 -0.285 1
1 565 . 12 1 1 A 51 51 LEU C C 51 175.050 175.347 -0.297 1
1 566 . 12 1 1 A 51 51 LEU CA C 51 54.074 53.485 0.589 1
1 567 . 12 1 1 A 51 51 LEU CB C 51 44.171 47.468 -3.297 1
1 571 . 12 1 1 A 51 51 LEU N N 51 121.706 121.116 0.590 1
1 572 . 12 1 1 A 52 52 GLU H H 52 8.165 8.674 -0.509 1
1 573 . 12 1 1 A 52 52 GLU HA H 52 5.476 5.095 0.381 1
1 578 . 12 1 1 A 52 52 GLU C C 52 176.062 174.919 1.143 1
1 579 . 12 1 1 A 52 52 GLU CA C 52 53.810 54.767 -0.957 1
1 580 . 12 1 1 A 52 52 GLU CB C 52 33.486 32.770 0.716 1
1 582 . 12 1 1 A 52 52 GLU N N 52 116.700 119.400 -2.700 1
1 583 . 12 1 1 A 53 53 GLY H H 53 8.091 8.400 -0.309 1
1 584 . 12 1 1 A 53 53 GLY HA2 H 53 3.882 4.407 -0.525 1
1 585 . 12 1 1 A 53 53 GLY HA3 H 53 3.730 4.461 -0.731 1
1 586 . 12 1 1 A 53 53 GLY C C 53 170.279 171.852 -1.573 1
1 587 . 12 1 1 A 53 53 GLY CA C 53 45.344 44.007 1.337 1
1 588 . 12 1 1 A 53 53 GLY N N 53 106.613 111.481 -4.868 1
1 589 . 12 1 1 A 54 54 TRP H H 54 8.595 9.042 -0.447 1
1 590 . 12 1 1 A 54 54 TRP HA H 54 5.348 5.270 0.078 1
1 599 . 12 1 1 A 54 54 TRP C C 54 175.873 176.471 -0.598 1
1 600 . 12 1 1 A 54 54 TRP CA C 54 57.602 57.572 0.030 1
1 601 . 12 1 1 A 54 54 TRP CB C 54 31.176 29.844 1.332 1
1 607 . 12 1 1 A 54 54 TRP N N 54 120.550 121.656 -1.106 1
1 609 . 12 1 1 A 55 55 ALA H H 55 9.993 9.209 0.784 1
1 610 . 12 1 1 A 55 55 ALA HA H 55 4.978 4.306 0.672 1
1 614 . 12 1 1 A 55 55 ALA C C 55 173.642 174.671 -1.029 1
1 615 . 12 1 1 A 55 55 ALA CA C 55 49.335 49.068 0.267 1
1 616 . 12 1 1 A 55 55 ALA CB C 55 22.101 21.304 0.797 1
1 617 . 12 1 1 A 55 55 ALA N N 55 122.386 128.071 -5.685 1
1 618 . 12 1 1 A 56 56 PRO HA H 56 3.586 3.777 -0.191 1
1 625 . 12 1 1 A 56 56 PRO C C 56 178.765 177.215 1.550 1
1 626 . 12 1 1 A 56 56 PRO CA C 56 61.218 62.098 -0.880 1
1 627 . 12 1 1 A 56 56 PRO CB C 56 30.430 32.282 -1.852 1
1 630 . 12 1 1 A 57 57 SER H H 57 8.187 8.149 0.038 1
1 631 . 12 1 1 A 57 57 SER HA H 57 2.721 3.493 -0.772 1
1 634 . 12 1 1 A 57 57 SER C C 57 175.094 176.451 -1.357 1
1 635 . 12 1 1 A 57 57 SER CA C 57 60.865 60.285 0.580 1
1 636 . 12 1 1 A 57 57 SER CB C 57 60.645 61.741 -1.096 1
1 637 . 12 1 1 A 57 57 SER N N 57 120.088 118.881 1.207 1
1 638 . 12 1 1 A 58 58 HIS H H 58 7.482 7.498 -0.016 1
1 639 . 12 1 1 A 58 58 HIS HA H 58 4.433 4.214 0.219 1
1 644 . 12 1 1 A 58 58 HIS C C 58 175.763 177.094 -1.331 1
1 645 . 12 1 1 A 58 58 HIS CA C 58 56.938 58.521 -1.583 1
1 646 . 12 1 1 A 58 58 HIS CB C 58 28.597 29.731 -1.134 1
1 649 . 12 1 1 A 58 58 HIS N N 58 115.490 119.173 -3.683 1
1 650 . 12 1 1 A 59 59 TYR H H 59 7.251 7.963 -0.712 1
1 651 . 12 1 1 A 59 59 TYR HA H 59 4.366 4.288 0.078 1
1 658 . 12 1 1 A 59 59 TYR C C 59 173.874 176.387 -2.513 1
1 659 . 12 1 1 A 59 59 TYR CA C 59 58.862 60.601 -1.739 1
1 660 . 12 1 1 A 59 59 TYR CB C 59 36.586 39.416 -2.830 1
1 665 . 12 1 1 A 59 59 TYR N N 59 120.460 116.796 3.664 1
1 666 . 12 1 1 A 60 60 LEU H H 60 7.574 7.170 0.404 1
1 667 . 12 1 1 A 60 60 LEU HA H 60 4.964 4.230 0.734 1
1 677 . 12 1 1 A 60 60 LEU C C 60 175.663 176.506 -0.843 1
1 678 . 12 1 1 A 60 60 LEU CA C 60 53.709 55.302 -1.593 1
1 679 . 12 1 1 A 60 60 LEU CB C 60 42.879 42.382 0.497 1
1 683 . 12 1 1 A 60 60 LEU N N 60 121.690 119.734 1.956 1
1 684 . 12 1 1 A 61 61 VAL H H 61 9.082 9.304 -0.222 1
1 685 . 12 1 1 A 61 61 VAL HA H 61 4.309 4.374 -0.065 1
1 693 . 12 1 1 A 61 61 VAL C C 61 174.803 175.785 -0.982 1
1 694 . 12 1 1 A 61 61 VAL CA C 61 61.381 62.463 -1.082 1
1 695 . 12 1 1 A 61 61 VAL CB C 61 33.607 32.095 1.512 1
1 698 . 12 1 1 A 61 61 VAL N N 61 119.010 124.287 -5.277 1
1 699 . 12 1 1 A 62 62 LEU H H 62 8.307 8.928 -0.621 1
1 700 . 12 1 1 A 62 62 LEU HA H 62 4.288 4.905 -0.617 1
1 710 . 12 1 1 A 62 62 LEU C C 62 176.976 177.072 -0.096 1
1 711 . 12 1 1 A 62 62 LEU CA C 62 54.807 54.160 0.647 1
1 712 . 12 1 1 A 62 62 LEU CB C 62 42.932 42.418 0.514 1
1 716 . 12 1 1 A 62 62 LEU N N 62 127.895 129.557 -1.662 1
1 717 . 12 1 1 A 63 63 ASP H H 63 8.475 8.719 -0.244 1
1 718 . 12 1 1 A 63 63 ASP HA H 63 4.595 4.804 -0.209 1
1 721 . 12 1 1 A 63 63 ASP C C 63 176.269 175.597 0.672 1
1 722 . 12 1 1 A 63 63 ASP CA C 63 53.903 54.001 -0.098 1
1 723 . 12 1 1 A 63 63 ASP CB C 63 41.618 40.947 0.671 1
1 724 . 12 1 1 A 63 63 ASP N N 63 122.904 120.399 2.505 1
1 725 . 12 1 1 A 64 64 GLU H H 64 8.528 7.826 0.702 1
1 726 . 12 1 1 A 64 64 GLU HA H 64 4.220 4.507 -0.287 1
1 731 . 12 1 1 A 64 64 GLU C C 64 176.504 175.880 0.624 1
1 732 . 12 1 1 A 64 64 GLU CA C 64 57.043 56.394 0.649 1
1 733 . 12 1 1 A 64 64 GLU CB C 64 30.214 30.625 -0.411 1
1 735 . 12 1 1 A 64 64 GLU N N 64 122.471 121.505 0.966 1
1 736 . 12 1 1 A 65 65 ASN H H 65 8.523 8.578 -0.055 1
1 737 . 12 1 1 A 65 65 ASN HA H 65 4.661 4.819 -0.158 1
1 742 . 12 1 1 A 65 65 ASN C C 65 175.223 175.534 -0.311 1
1 743 . 12 1 1 A 65 65 ASN CA C 65 53.674 53.341 0.333 1
1 744 . 12 1 1 A 65 65 ASN CB C 65 39.088 38.504 0.584 1
1 745 . 12 1 1 A 65 65 ASN N N 65 118.895 124.110 -5.215 1
1 747 . 12 1 1 A 66 66 GLU H H 66 8.222 8.807 -0.585 1
1 748 . 12 1 1 A 66 66 GLU HA H 66 4.293 4.890 -0.597 1
1 753 . 12 1 1 A 66 66 GLU C C 66 176.054 175.144 0.910 1
1 754 . 12 1 1 A 66 66 GLU CA C 66 56.432 54.818 1.614 1
1 755 . 12 1 1 A 66 66 GLU CB C 66 30.476 33.596 -3.120 1
1 757 . 12 1 1 A 66 66 GLU N N 66 120.919 123.800 -2.881 1
1 758 . 12 1 1 A 67 67 GLN H H 67 8.293 8.521 -0.228 1
1 759 . 12 1 1 A 67 67 GLN HA H 67 4.582 4.410 0.172 1
1 766 . 12 1 1 A 67 67 GLN C C 67 173.836 174.864 -1.028 1
1 767 . 12 1 1 A 67 67 GLN CA C 67 53.593 53.778 -0.185 1
1 768 . 12 1 1 A 67 67 GLN CB C 67 28.949 29.241 -0.292 1
1 770 . 12 1 1 A 67 67 GLN N N 67 122.295 122.121 0.174 1
1 772 . 12 1 1 A 68 68 PRO HA H 68 4.401 4.655 -0.254 1
1 779 . 12 1 1 A 68 68 PRO CA C 68 62.882 62.869 0.013 1
1 780 . 12 1 1 A 68 68 PRO CB C 68 32.175 32.472 -0.297 1
1 783 . 12 1 1 A 69 69 ASP H H 69 8.502 8.480 0.022 1
1 784 . 12 1 1 A 69 69 ASP HA H 69 4.836 5.198 -0.362 1
1 787 . 12 1 1 A 69 69 ASP CA C 69 51.945 51.744 0.201 1
1 788 . 12 1 1 A 69 69 ASP CB C 69 41.305 41.654 -0.349 1
1 789 . 12 1 1 A 69 69 ASP N N 69 121.937 121.124 0.813 1
1 790 . 12 1 1 A 70 70 PRO HA H 70 4.437 4.658 -0.221 1
1 797 . 12 1 1 A 70 70 PRO C C 70 177.484 177.016 0.468 1
1 798 . 12 1 1 A 70 70 PRO CA C 70 63.777 62.493 1.284 1
1 799 . 12 1 1 A 70 70 PRO CB C 70 32.027 30.672 1.355 1
1 802 . 12 1 1 A 71 71 SER H H 71 8.506 8.556 -0.050 1
1 803 . 12 1 1 A 71 71 SER HA H 71 4.364 4.566 -0.202 1
1 806 . 12 1 1 A 71 71 SER C C 71 175.439 174.598 0.841 1
1 807 . 12 1 1 A 71 71 SER CA C 71 59.261 59.425 -0.164 1
1 808 . 12 1 1 A 71 71 SER CB C 71 63.771 65.223 -1.452 1
1 809 . 12 1 1 A 71 71 SER N N 71 115.901 119.259 -3.358 1
1 810 . 12 1 1 A 72 72 GLY H H 72 8.258 7.883 0.375 1
1 811 . 12 1 1 A 72 72 GLY HA2 H 72 3.958 4.041 -0.083 1
1 812 . 12 1 1 A 72 72 GLY HA3 H 72 3.958 4.041 -0.083 1
1 813 . 12 1 1 A 72 72 GLY C C 72 174.314 173.254 1.060 1
1 814 . 12 1 1 A 72 72 GLY CA C 72 45.469 44.573 0.896 1
1 815 . 12 1 1 A 72 72 GLY N N 72 110.595 107.629 2.966 1
1 816 . 12 1 1 A 73 73 LYS H H 73 8.052 8.399 -0.347 1
1 817 . 12 1 1 A 73 73 LYS HA H 73 4.305 4.514 -0.209 1
1 826 . 12 1 1 A 73 73 LYS C C 73 176.792 175.314 1.478 1
1 827 . 12 1 1 A 73 73 LYS CA C 73 56.420 55.745 0.675 1
1 828 . 12 1 1 A 73 73 LYS CB C 73 33.082 33.580 -0.498 1
1 832 . 12 1 1 A 73 73 LYS N N 73 120.614 120.054 0.560 1
1 833 . 12 1 1 A 74 74 GLU H H 74 8.559 8.673 -0.114 1
1 834 . 12 1 1 A 74 74 GLU HA H 74 4.305 4.546 -0.241 1
1 839 . 12 1 1 A 74 74 GLU C C 74 176.648 176.178 0.470 1
1 840 . 12 1 1 A 74 74 GLU CA C 74 56.446 54.652 1.794 1
1 841 . 12 1 1 A 74 74 GLU CB C 74 30.215 29.514 0.701 1
1 843 . 12 1 1 A 74 74 GLU N N 74 122.000 125.515 -3.515 1
1 844 . 12 1 1 A 75 75 SER H H 75 8.364 8.301 0.063 1
1 845 . 12 1 1 A 75 75 SER HA H 75 4.450 4.224 0.226 1
1 846 . 12 1 1 A 75 75 SER C C 75 174.540 174.959 -0.419 1
1 847 . 12 1 1 A 75 75 SER CA C 75 58.538 59.838 -1.300 1
1 848 . 12 1 1 A 75 75 SER CB C 75 63.977 64.037 -0.060 1
1 849 . 12 1 1 A 75 75 SER N N 75 116.992 121.852 -4.860 1
1 850 . 12 1 1 A 76 76 GLY H H 76 8.243 7.873 0.370 1
1 851 . 12 1 1 A 76 76 GLY HA2 H 76 4.157 3.937 0.220 1
1 852 . 12 1 1 A 76 76 GLY HA3 H 76 4.058 3.938 0.120 1
1 853 . 12 1 1 A 76 76 GLY CA C 76 44.680 46.672 -1.992 1
1 854 . 12 1 1 A 76 76 GLY N N 76 110.704 109.419 1.285 1
1 855 . 12 1 1 A 77 77 PRO HA H 77 4.463 4.274 0.189 1
1 862 . 12 1 1 A 77 77 PRO C C 77 177.454 177.627 -0.173 1
1 863 . 12 1 1 A 77 77 PRO CA C 77 63.202 64.576 -1.374 1
1 864 . 12 1 1 A 77 77 PRO CB C 77 32.276 31.925 0.351 1
1 867 . 12 1 1 A 78 78 SER H H 78 8.535 8.096 0.439 1
1 870 . 12 1 1 A 78 78 SER C C 78 174.735 173.913 0.822 1
1 871 . 12 1 1 A 78 78 SER CA C 78 58.373 59.183 -0.810 1
1 872 . 12 1 1 A 78 78 SER CB C 78 63.977 61.533 2.444 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.494 4.846 -0.352 1
1 2 . 13 1 1 A 6 6 SER CA C 6 58.785 57.971 0.814 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.483 64.633 -1.150 1
1 4 . 13 1 1 A 7 7 GLY H H 7 8.367 8.231 0.136 1
1 5 . 13 1 1 A 7 7 GLY HA2 H 7 3.955 4.040 -0.085 1
1 6 . 13 1 1 A 7 7 GLY HA3 H 7 3.955 4.043 -0.088 1
1 7 . 13 1 1 A 7 7 GLY C C 7 173.640 174.424 -0.784 1
1 8 . 13 1 1 A 7 7 GLY CA C 7 45.215 45.550 -0.335 1
1 9 . 13 1 1 A 7 7 GLY N N 7 110.787 110.055 0.732 1
1 10 . 13 1 1 A 8 8 ALA H H 8 8.126 7.888 0.238 1
1 11 . 13 1 1 A 8 8 ALA HA H 8 4.458 4.306 0.152 1
1 15 . 13 1 1 A 8 8 ALA C C 8 177.711 176.165 1.546 1
1 16 . 13 1 1 A 8 8 ALA CA C 8 52.493 52.561 -0.068 1
1 17 . 13 1 1 A 8 8 ALA CB C 8 19.761 19.855 -0.094 1
1 18 . 13 1 1 A 8 8 ALA N N 8 123.680 124.323 -0.643 1
1 19 . 13 1 1 A 9 9 THR H H 9 8.254 8.668 -0.414 1
1 20 . 13 1 1 A 9 9 THR HA H 9 4.527 4.828 -0.301 1
1 25 . 13 1 1 A 9 9 THR C C 9 174.050 173.914 0.136 1
1 26 . 13 1 1 A 9 9 THR CA C 9 61.874 61.240 0.634 1
1 27 . 13 1 1 A 9 9 THR CB C 9 70.580 71.675 -1.095 1
1 29 . 13 1 1 A 9 9 THR N N 9 113.196 115.423 -2.227 1
1 30 . 13 1 1 A 10 10 SER H H 10 8.264 8.911 -0.647 1
1 31 . 13 1 1 A 10 10 SER HA H 10 5.228 5.548 -0.320 1
1 34 . 13 1 1 A 10 10 SER C C 10 173.318 173.533 -0.215 1
1 35 . 13 1 1 A 10 10 SER CA C 10 58.404 57.195 1.209 1
1 36 . 13 1 1 A 10 10 SER CB C 10 64.098 64.828 -0.730 1
1 37 . 13 1 1 A 10 10 SER N N 10 120.509 120.455 0.054 1
1 38 . 13 1 1 A 11 11 TYR H H 11 8.957 8.979 -0.022 1
1 39 . 13 1 1 A 11 11 TYR HA H 11 4.793 5.195 -0.402 1
1 46 . 13 1 1 A 11 11 TYR C C 11 174.111 174.227 -0.116 1
1 47 . 13 1 1 A 11 11 TYR CA C 11 57.097 56.475 0.622 1
1 48 . 13 1 1 A 11 11 TYR CB C 11 43.764 42.927 0.837 1
1 53 . 13 1 1 A 11 11 TYR N N 11 124.069 120.244 3.825 1
1 54 . 13 1 1 A 12 12 MET H H 12 8.985 8.365 0.620 1
1 55 . 13 1 1 A 12 12 MET HA H 12 5.463 5.182 0.281 1
1 63 . 13 1 1 A 12 12 MET C C 12 177.045 175.783 1.262 1
1 64 . 13 1 1 A 12 12 MET CA C 12 52.215 53.995 -1.780 1
1 65 . 13 1 1 A 12 12 MET CB C 12 33.195 35.718 -2.523 1
1 68 . 13 1 1 A 12 12 MET N N 12 118.428 121.279 -2.851 1
1 69 . 13 1 1 A 13 13 THR H H 13 9.132 8.511 0.621 1
1 70 . 13 1 1 A 13 13 THR HA H 13 4.872 4.534 0.338 1
1 75 . 13 1 1 A 13 13 THR C C 13 177.032 174.945 2.087 1
1 76 . 13 1 1 A 13 13 THR CA C 13 60.003 62.055 -2.052 1
1 77 . 13 1 1 A 13 13 THR CB C 13 69.597 69.988 -0.391 1
1 79 . 13 1 1 A 13 13 THR N N 13 113.981 116.578 -2.597 1
1 80 . 13 1 1 A 14 14 CYS H H 14 9.504 8.804 0.700 1
1 81 . 13 1 1 A 14 14 CYS HA H 14 4.806 4.488 0.318 1
1 84 . 13 1 1 A 14 14 CYS C C 14 173.712 174.235 -0.523 1
1 85 . 13 1 1 A 14 14 CYS CA C 14 57.209 59.964 -2.755 1
1 86 . 13 1 1 A 14 14 CYS CB C 14 28.772 28.934 -0.162 1
1 87 . 13 1 1 A 14 14 CYS N N 14 122.485 121.225 1.260 1
1 88 . 13 1 1 A 15 15 SER H H 15 7.796 7.755 0.041 1
1 89 . 13 1 1 A 15 15 SER HA H 15 4.578 4.652 -0.074 1
1 92 . 13 1 1 A 15 15 SER C C 15 171.037 172.683 -1.646 1
1 93 . 13 1 1 A 15 15 SER CA C 15 56.858 56.991 -0.133 1
1 94 . 13 1 1 A 15 15 SER CB C 15 66.124 65.097 1.027 1
1 95 . 13 1 1 A 15 15 SER N N 15 116.311 113.796 2.515 1
1 96 . 13 1 1 A 16 16 ALA H H 16 8.398 8.366 0.032 1
1 97 . 13 1 1 A 16 16 ALA HA H 16 4.582 4.781 -0.199 1
1 101 . 13 1 1 A 16 16 ALA C C 16 176.897 176.113 0.784 1
1 102 . 13 1 1 A 16 16 ALA CA C 16 52.085 51.475 0.610 1
1 103 . 13 1 1 A 16 16 ALA CB C 16 19.720 19.882 -0.162 1
1 104 . 13 1 1 A 16 16 ALA N N 16 124.071 125.855 -1.784 1
1 105 . 13 1 1 A 17 17 TYR H H 17 8.401 8.009 0.392 1
1 106 . 13 1 1 A 17 17 TYR HA H 17 4.384 4.891 -0.507 1
1 113 . 13 1 1 A 17 17 TYR C C 17 173.836 173.521 0.315 1
1 114 . 13 1 1 A 17 17 TYR CA C 17 57.801 56.209 1.592 1
1 115 . 13 1 1 A 17 17 TYR CB C 17 42.166 41.395 0.771 1
1 120 . 13 1 1 A 17 17 TYR N N 17 121.997 124.715 -2.718 1
1 121 . 13 1 1 A 18 18 GLN H H 18 6.844 8.166 -1.322 1
1 122 . 13 1 1 A 18 18 GLN HA H 18 4.318 4.612 -0.294 1
1 129 . 13 1 1 A 18 18 GLN C C 18 172.990 174.835 -1.845 1
1 130 . 13 1 1 A 18 18 GLN CA C 18 52.767 53.469 -0.702 1
1 131 . 13 1 1 A 18 18 GLN CB C 18 29.940 31.785 -1.845 1
1 133 . 13 1 1 A 18 18 GLN N N 18 127.603 126.739 0.864 1
1 135 . 13 1 1 A 19 19 LYS H H 19 8.155 8.303 -0.148 1
1 136 . 13 1 1 A 19 19 LYS HA H 19 4.130 4.679 -0.549 1
1 145 . 13 1 1 A 19 19 LYS C C 19 175.995 176.481 -0.486 1
1 146 . 13 1 1 A 19 19 LYS CA C 19 56.489 56.611 -0.122 1
1 147 . 13 1 1 A 19 19 LYS CB C 19 33.369 33.090 0.279 1
1 151 . 13 1 1 A 19 19 LYS N N 19 123.114 124.166 -1.052 1
1 152 . 13 1 1 A 20 20 VAL H H 20 8.679 9.041 -0.362 1
1 153 . 13 1 1 A 20 20 VAL HA H 20 4.153 4.209 -0.056 1
1 161 . 13 1 1 A 20 20 VAL C C 20 176.493 175.564 0.929 1
1 162 . 13 1 1 A 20 20 VAL CA C 20 62.520 63.164 -0.644 1
1 163 . 13 1 1 A 20 20 VAL CB C 20 32.847 32.999 -0.152 1
1 166 . 13 1 1 A 20 20 VAL N N 20 120.106 121.448 -1.342 1
1 167 . 13 1 1 A 21 21 GLN H H 21 7.133 7.585 -0.452 1
1 168 . 13 1 1 A 21 21 GLN HA H 21 4.582 4.791 -0.209 1
1 175 . 13 1 1 A 21 21 GLN C C 21 177.019 176.015 1.004 1
1 176 . 13 1 1 A 21 21 GLN CA C 21 54.291 54.075 0.216 1
1 177 . 13 1 1 A 21 21 GLN CB C 21 31.023 32.321 -1.298 1
1 179 . 13 1 1 A 21 21 GLN N N 21 116.079 119.290 -3.211 1
1 181 . 13 1 1 A 22 22 ASP H H 22 8.858 9.160 -0.302 1
1 182 . 13 1 1 A 22 22 ASP HA H 22 4.318 4.368 -0.050 1
1 185 . 13 1 1 A 22 22 ASP C C 22 176.746 178.389 -1.643 1
1 186 . 13 1 1 A 22 22 ASP CA C 22 57.752 56.712 1.040 1
1 187 . 13 1 1 A 22 22 ASP CB C 22 40.859 39.972 0.887 1
1 188 . 13 1 1 A 22 22 ASP N N 22 120.173 122.927 -2.754 1
1 189 . 13 1 1 A 23 23 SER H H 23 7.860 8.128 -0.268 1
1 190 . 13 1 1 A 23 23 SER HA H 23 4.648 4.364 0.284 1
1 193 . 13 1 1 A 23 23 SER C C 23 175.526 175.371 0.155 1
1 194 . 13 1 1 A 23 23 SER CA C 23 58.597 61.658 -3.061 1
1 195 . 13 1 1 A 23 23 SER CB C 23 62.993 63.190 -0.197 1
1 196 . 13 1 1 A 23 23 SER N N 23 110.013 115.346 -5.333 1
1 197 . 13 1 1 A 24 24 GLU H H 24 7.579 8.063 -0.484 1
1 198 . 13 1 1 A 24 24 GLU HA H 24 5.574 4.710 0.864 1
1 203 . 13 1 1 A 24 24 GLU C C 24 174.394 175.356 -0.962 1
1 204 . 13 1 1 A 24 24 GLU CA C 24 55.633 57.191 -1.558 1
1 205 . 13 1 1 A 24 24 GLU CB C 24 32.848 30.945 1.903 1
1 207 . 13 1 1 A 24 24 GLU N N 24 122.542 119.097 3.445 1
1 208 . 13 1 1 A 25 25 ILE H H 25 7.894 8.860 -0.966 1
1 209 . 13 1 1 A 25 25 ILE HA H 25 4.661 5.025 -0.364 1
1 219 . 13 1 1 A 25 25 ILE C C 25 171.519 174.419 -2.900 1
1 220 . 13 1 1 A 25 25 ILE CA C 25 58.838 59.509 -0.671 1
1 221 . 13 1 1 A 25 25 ILE CB C 25 42.673 42.248 0.425 1
1 225 . 13 1 1 A 25 25 ILE N N 25 117.944 123.407 -5.463 1
1 226 . 13 1 1 A 26 26 SER H H 26 7.535 9.128 -1.593 1
1 227 . 13 1 1 A 26 26 SER HA H 26 4.885 5.315 -0.430 1
1 230 . 13 1 1 A 26 26 SER C C 26 174.052 174.108 -0.056 1
1 231 . 13 1 1 A 26 26 SER CA C 26 56.515 57.422 -0.907 1
1 232 . 13 1 1 A 26 26 SER CB C 26 65.131 64.871 0.260 1
1 233 . 13 1 1 A 26 26 SER N N 26 116.426 124.072 -7.646 1
1 234 . 13 1 1 A 27 27 PHE H H 27 8.271 8.353 -0.082 1
1 235 . 13 1 1 A 27 27 PHE HA H 27 4.934 5.318 -0.384 1
1 243 . 13 1 1 A 27 27 PHE C C 27 173.278 173.085 0.193 1
1 244 . 13 1 1 A 27 27 PHE CA C 27 53.758 54.843 -1.085 1
1 245 . 13 1 1 A 27 27 PHE CB C 27 37.379 41.639 -4.260 1
1 251 . 13 1 1 A 27 27 PHE N N 27 116.221 119.137 -2.916 1
1 252 . 13 1 1 A 28 28 PRO HA H 28 4.872 4.665 0.207 1
1 259 . 13 1 1 A 28 28 PRO C C 28 176.165 175.605 0.560 1
1 260 . 13 1 1 A 28 28 PRO CA C 28 61.019 62.463 -1.444 1
1 261 . 13 1 1 A 28 28 PRO CB C 28 32.410 32.858 -0.448 1
1 264 . 13 1 1 A 29 29 ALA H H 29 8.513 8.327 0.186 1
1 265 . 13 1 1 A 29 29 ALA HA H 29 3.822 4.627 -0.805 1
1 269 . 13 1 1 A 29 29 ALA C C 29 178.074 177.976 0.098 1
1 270 . 13 1 1 A 29 29 ALA CA C 29 52.670 52.511 0.159 1
1 271 . 13 1 1 A 29 29 ALA CB C 29 19.721 19.463 0.258 1
1 272 . 13 1 1 A 29 29 ALA N N 29 120.286 123.870 -3.584 1
1 273 . 13 1 1 A 30 30 GLY H H 30 8.022 8.607 -0.585 1
1 274 . 13 1 1 A 30 30 GLY HA2 H 30 3.956 4.081 -0.125 1
1 275 . 13 1 1 A 30 30 GLY HA3 H 30 3.733 4.083 -0.350 1
1 276 . 13 1 1 A 30 30 GLY C C 30 174.944 173.723 1.221 1
1 277 . 13 1 1 A 30 30 GLY CA C 30 46.739 45.190 1.549 1
1 278 . 13 1 1 A 30 30 GLY N N 30 110.746 111.260 -0.514 1
1 279 . 13 1 1 A 31 31 VAL H H 31 7.736 7.372 0.364 1
1 280 . 13 1 1 A 31 31 VAL HA H 31 4.753 4.822 -0.069 1
1 288 . 13 1 1 A 31 31 VAL C C 31 173.642 174.063 -0.421 1
1 289 . 13 1 1 A 31 31 VAL CA C 31 58.809 59.248 -0.439 1
1 290 . 13 1 1 A 31 31 VAL CB C 31 34.719 35.602 -0.883 1
1 293 . 13 1 1 A 31 31 VAL N N 31 112.109 115.456 -3.347 1
1 294 . 13 1 1 A 32 32 GLU H H 32 8.264 8.887 -0.623 1
1 295 . 13 1 1 A 32 32 GLU HA H 32 5.090 4.948 0.142 1
1 300 . 13 1 1 A 32 32 GLU C C 32 176.725 176.189 0.536 1
1 301 . 13 1 1 A 32 32 GLU CA C 32 55.713 55.457 0.256 1
1 302 . 13 1 1 A 32 32 GLU CB C 32 31.615 31.453 0.162 1
1 304 . 13 1 1 A 32 32 GLU N N 32 121.304 123.467 -2.163 1
1 305 . 13 1 1 A 33 33 VAL H H 33 9.136 8.809 0.327 1
1 306 . 13 1 1 A 33 33 VAL HA H 33 5.001 5.015 -0.014 1
1 314 . 13 1 1 A 33 33 VAL C C 33 174.395 173.365 1.030 1
1 315 . 13 1 1 A 33 33 VAL CA C 33 58.765 58.765 0.000 1
1 316 . 13 1 1 A 33 33 VAL CB C 33 34.596 35.652 -1.056 1
1 319 . 13 1 1 A 33 33 VAL N N 33 117.728 119.950 -2.222 1
1 320 . 13 1 1 A 34 34 GLN H H 34 8.551 8.303 0.248 1
1 321 . 13 1 1 A 34 34 GLN HA H 34 5.052 5.002 0.050 1
1 328 . 13 1 1 A 34 34 GLN C C 34 175.752 174.535 1.217 1
1 329 . 13 1 1 A 34 34 GLN CA C 34 54.328 54.099 0.229 1
1 330 . 13 1 1 A 34 34 GLN CB C 34 30.760 31.711 -0.951 1
1 332 . 13 1 1 A 34 34 GLN N N 34 119.032 121.113 -2.081 1
1 334 . 13 1 1 A 35 35 VAL H H 35 9.180 8.947 0.233 1
1 335 . 13 1 1 A 35 35 VAL HA H 35 4.144 4.078 0.066 1
1 343 . 13 1 1 A 35 35 VAL C C 35 175.602 175.266 0.336 1
1 344 . 13 1 1 A 35 35 VAL CA C 35 63.035 63.129 -0.094 1
1 345 . 13 1 1 A 35 35 VAL CB C 35 32.056 31.135 0.921 1
1 348 . 13 1 1 A 35 35 VAL N N 35 124.135 127.584 -3.449 1
1 349 . 13 1 1 A 36 36 LEU H H 36 9.175 9.075 0.100 1
1 350 . 13 1 1 A 36 36 LEU HA H 36 4.429 4.147 0.282 1
1 360 . 13 1 1 A 36 36 LEU C C 36 177.299 176.526 0.773 1
1 361 . 13 1 1 A 36 36 LEU CA C 36 55.785 57.179 -1.394 1
1 362 . 13 1 1 A 36 36 LEU CB C 36 42.924 42.426 0.498 1
1 366 . 13 1 1 A 36 36 LEU N N 36 129.320 129.534 -0.214 1
1 367 . 13 1 1 A 37 37 GLU H H 37 7.569 7.857 -0.288 1
1 368 . 13 1 1 A 37 37 GLU HA H 37 4.414 4.819 -0.405 1
1 373 . 13 1 1 A 37 37 GLU C C 37 174.132 174.310 -0.178 1
1 374 . 13 1 1 A 37 37 GLU CA C 37 56.244 54.867 1.377 1
1 375 . 13 1 1 A 37 37 GLU CB C 37 33.236 33.420 -0.184 1
1 377 . 13 1 1 A 37 37 GLU N N 37 116.925 115.426 1.499 1
1 378 . 13 1 1 A 38 38 LYS H H 38 8.693 8.544 0.149 1
1 379 . 13 1 1 A 38 38 LYS HA H 38 4.181 5.191 -1.010 1
1 388 . 13 1 1 A 38 38 LYS C C 38 175.877 175.343 0.534 1
1 389 . 13 1 1 A 38 38 LYS CA C 38 55.579 54.607 0.972 1
1 390 . 13 1 1 A 38 38 LYS CB C 38 34.965 35.473 -0.508 1
1 394 . 13 1 1 A 38 38 LYS N N 38 124.828 123.768 1.060 1
1 395 . 13 1 1 A 39 39 GLN H H 39 7.682 8.780 -1.098 1
1 396 . 13 1 1 A 39 39 GLN HA H 39 4.896 4.912 -0.016 1
1 403 . 13 1 1 A 39 39 GLN C C 39 177.964 176.602 1.362 1
1 404 . 13 1 1 A 39 39 GLN CA C 39 55.324 54.667 0.657 1
1 405 . 13 1 1 A 39 39 GLN CB C 39 31.670 31.168 0.502 1
1 407 . 13 1 1 A 39 39 GLN N N 39 119.391 122.466 -3.075 1
1 409 . 13 1 1 A 40 40 GLU HA H 40 4.308 4.182 0.126 1
1 414 . 13 1 1 A 40 40 GLU C C 40 176.777 178.200 -1.423 1
1 415 . 13 1 1 A 40 40 GLU CA C 40 58.541 59.253 -0.712 1
1 416 . 13 1 1 A 40 40 GLU CB C 40 29.363 29.063 0.300 1
1 418 . 13 1 1 A 41 41 SER H H 41 7.986 8.015 -0.029 1
1 419 . 13 1 1 A 41 41 SER HA H 41 4.413 4.327 0.086 1
1 422 . 13 1 1 A 41 41 SER C C 41 175.434 174.701 0.733 1
1 423 . 13 1 1 A 41 41 SER CA C 41 58.707 61.661 -2.954 1
1 424 . 13 1 1 A 41 41 SER CB C 41 63.871 63.393 0.478 1
1 425 . 13 1 1 A 41 41 SER N N 41 113.216 116.228 -3.012 1
1 426 . 13 1 1 A 42 42 GLY H H 42 8.135 8.006 0.129 1
1 427 . 13 1 1 A 42 42 GLY HA2 H 42 4.347 4.140 0.207 1
1 428 . 13 1 1 A 42 42 GLY HA3 H 42 3.625 4.147 -0.522 1
1 429 . 13 1 1 A 42 42 GLY C C 42 173.338 174.571 -1.233 1
1 430 . 13 1 1 A 42 42 GLY CA C 42 44.998 45.530 -0.532 1
1 431 . 13 1 1 A 42 42 GLY N N 42 108.513 107.883 0.630 1
1 432 . 13 1 1 A 43 43 TRP H H 43 7.820 8.125 -0.305 1
1 433 . 13 1 1 A 43 43 TRP HA H 43 4.942 4.622 0.320 1
1 442 . 13 1 1 A 43 43 TRP C C 43 174.648 176.305 -1.657 1
1 443 . 13 1 1 A 43 43 TRP CA C 43 57.245 57.488 -0.243 1
1 444 . 13 1 1 A 43 43 TRP CB C 43 30.102 30.712 -0.610 1
1 450 . 13 1 1 A 43 43 TRP N N 43 122.320 121.066 1.254 1
1 452 . 13 1 1 A 44 44 TRP H H 44 9.769 8.940 0.829 1
1 453 . 13 1 1 A 44 44 TRP HA H 44 5.875 5.493 0.382 1
1 462 . 13 1 1 A 44 44 TRP C C 44 173.703 174.990 -1.287 1
1 463 . 13 1 1 A 44 44 TRP CA C 44 53.298 55.666 -2.368 1
1 464 . 13 1 1 A 44 44 TRP CB C 44 32.961 32.254 0.707 1
1 470 . 13 1 1 A 44 44 TRP N N 44 125.138 123.464 1.674 1
1 472 . 13 1 1 A 45 45 TYR H H 45 9.168 9.057 0.111 1
1 473 . 13 1 1 A 45 45 TYR HA H 45 4.173 4.352 -0.179 1
1 480 . 13 1 1 A 45 45 TYR C C 45 175.086 174.634 0.452 1
1 481 . 13 1 1 A 45 45 TYR CA C 45 58.044 56.459 1.585 1
1 482 . 13 1 1 A 45 45 TYR CB C 45 38.792 38.508 0.284 1
1 487 . 13 1 1 A 45 45 TYR N N 45 127.429 124.430 2.999 1
1 488 . 13 1 1 A 46 46 VAL H H 46 8.689 8.582 0.107 1
1 489 . 13 1 1 A 46 46 VAL HA H 46 5.142 5.145 -0.003 1
1 497 . 13 1 1 A 46 46 VAL C C 46 172.384 173.591 -1.207 1
1 498 . 13 1 1 A 46 46 VAL CA C 46 59.010 59.580 -0.570 1
1 499 . 13 1 1 A 46 46 VAL CB C 46 35.502 33.839 1.663 1
1 502 . 13 1 1 A 46 46 VAL N N 46 124.245 122.259 1.986 1
1 503 . 13 1 1 A 47 47 ARG H H 47 9.049 8.254 0.795 1
1 504 . 13 1 1 A 47 47 ARG HA H 47 5.163 5.342 -0.179 1
1 512 . 13 1 1 A 47 47 ARG C C 47 175.057 173.903 1.154 1
1 513 . 13 1 1 A 47 47 ARG CA C 47 54.158 54.142 0.016 1
1 514 . 13 1 1 A 47 47 ARG CB C 47 34.146 33.540 0.606 1
1 517 . 13 1 1 A 47 47 ARG N N 47 120.700 121.593 -0.893 1
1 519 . 13 1 1 A 48 48 PHE H H 48 9.042 9.062 -0.020 1
1 520 . 13 1 1 A 48 48 PHE HA H 48 5.296 4.741 0.555 1
1 528 . 13 1 1 A 48 48 PHE C C 48 175.133 175.597 -0.464 1
1 529 . 13 1 1 A 48 48 PHE CA C 48 54.446 56.996 -2.550 1
1 530 . 13 1 1 A 48 48 PHE CB C 48 40.369 41.013 -0.644 1
1 536 . 13 1 1 A 48 48 PHE N N 48 128.029 127.623 0.406 1
1 537 . 13 1 1 A 49 49 GLY H H 49 9.103 8.845 0.258 1
1 538 . 13 1 1 A 49 49 GLY HA2 H 49 3.644 3.564 0.080 1
1 539 . 13 1 1 A 49 49 GLY HA3 H 49 3.503 3.687 -0.184 1
1 540 . 13 1 1 A 49 49 GLY C C 49 174.287 174.475 -0.188 1
1 541 . 13 1 1 A 49 49 GLY CA C 49 47.008 47.101 -0.093 1
1 542 . 13 1 1 A 49 49 GLY N N 49 118.890 116.113 2.777 1
1 543 . 13 1 1 A 50 50 GLU H H 50 8.920 8.508 0.412 1
1 544 . 13 1 1 A 50 50 GLU HA H 50 4.333 4.459 -0.126 1
1 549 . 13 1 1 A 50 50 GLU C C 50 176.000 176.105 -0.105 1
1 550 . 13 1 1 A 50 50 GLU CA C 50 56.080 55.548 0.532 1
1 551 . 13 1 1 A 50 50 GLU CB C 50 30.022 30.108 -0.086 1
1 553 . 13 1 1 A 50 50 GLU N N 50 125.280 125.057 0.223 1
1 554 . 13 1 1 A 51 51 LEU H H 51 7.792 7.519 0.273 1
1 555 . 13 1 1 A 51 51 LEU HA H 51 4.635 4.863 -0.228 1
1 565 . 13 1 1 A 51 51 LEU C C 51 175.050 174.998 0.052 1
1 566 . 13 1 1 A 51 51 LEU CA C 51 54.074 53.664 0.410 1
1 567 . 13 1 1 A 51 51 LEU CB C 51 44.171 47.314 -3.143 1
1 571 . 13 1 1 A 51 51 LEU N N 51 121.706 121.295 0.411 1
1 572 . 13 1 1 A 52 52 GLU H H 52 8.165 8.671 -0.506 1
1 573 . 13 1 1 A 52 52 GLU HA H 52 5.476 5.159 0.317 1
1 578 . 13 1 1 A 52 52 GLU C C 52 176.062 175.033 1.029 1
1 579 . 13 1 1 A 52 52 GLU CA C 52 53.810 54.634 -0.824 1
1 580 . 13 1 1 A 52 52 GLU CB C 52 33.486 32.440 1.046 1
1 582 . 13 1 1 A 52 52 GLU N N 52 116.700 119.790 -3.090 1
1 583 . 13 1 1 A 53 53 GLY H H 53 8.091 8.542 -0.451 1
1 584 . 13 1 1 A 53 53 GLY HA2 H 53 3.882 4.506 -0.624 1
1 585 . 13 1 1 A 53 53 GLY HA3 H 53 3.730 4.592 -0.862 1
1 586 . 13 1 1 A 53 53 GLY C C 53 170.279 171.907 -1.628 1
1 587 . 13 1 1 A 53 53 GLY CA C 53 45.344 44.028 1.316 1
1 588 . 13 1 1 A 53 53 GLY N N 53 106.613 111.583 -4.970 1
1 589 . 13 1 1 A 54 54 TRP H H 54 8.595 9.090 -0.495 1
1 590 . 13 1 1 A 54 54 TRP HA H 54 5.348 5.470 -0.122 1
1 599 . 13 1 1 A 54 54 TRP C C 54 175.873 175.903 -0.030 1
1 600 . 13 1 1 A 54 54 TRP CA C 54 57.602 57.260 0.342 1
1 601 . 13 1 1 A 54 54 TRP CB C 54 31.176 29.406 1.770 1
1 607 . 13 1 1 A 54 54 TRP N N 54 120.550 121.689 -1.139 1
1 609 . 13 1 1 A 55 55 ALA H H 55 9.993 8.867 1.126 1
1 610 . 13 1 1 A 55 55 ALA HA H 55 4.978 4.403 0.575 1
1 614 . 13 1 1 A 55 55 ALA C C 55 173.642 174.963 -1.321 1
1 615 . 13 1 1 A 55 55 ALA CA C 55 49.335 49.556 -0.221 1
1 616 . 13 1 1 A 55 55 ALA CB C 55 22.101 20.057 2.044 1
1 617 . 13 1 1 A 55 55 ALA N N 55 122.386 128.096 -5.710 1
1 618 . 13 1 1 A 56 56 PRO HA H 56 3.586 3.659 -0.073 1
1 625 . 13 1 1 A 56 56 PRO C C 56 178.765 177.373 1.392 1
1 626 . 13 1 1 A 56 56 PRO CA C 56 61.218 62.006 -0.788 1
1 627 . 13 1 1 A 56 56 PRO CB C 56 30.430 31.078 -0.648 1
1 630 . 13 1 1 A 57 57 SER H H 57 8.187 7.956 0.231 1
1 631 . 13 1 1 A 57 57 SER HA H 57 2.721 3.353 -0.632 1
1 634 . 13 1 1 A 57 57 SER C C 57 175.094 176.129 -1.035 1
1 635 . 13 1 1 A 57 57 SER CA C 57 60.865 59.733 1.132 1
1 636 . 13 1 1 A 57 57 SER CB C 57 60.645 61.450 -0.805 1
1 637 . 13 1 1 A 57 57 SER N N 57 120.088 119.800 0.288 1
1 638 . 13 1 1 A 58 58 HIS H H 58 7.482 7.276 0.206 1
1 639 . 13 1 1 A 58 58 HIS HA H 58 4.433 4.086 0.347 1
1 644 . 13 1 1 A 58 58 HIS C C 58 175.763 177.549 -1.786 1
1 645 . 13 1 1 A 58 58 HIS CA C 58 56.938 59.338 -2.400 1
1 646 . 13 1 1 A 58 58 HIS CB C 58 28.597 29.817 -1.220 1
1 649 . 13 1 1 A 58 58 HIS N N 58 115.490 118.847 -3.357 1
1 650 . 13 1 1 A 59 59 TYR H H 59 7.251 7.970 -0.719 1
1 651 . 13 1 1 A 59 59 TYR HA H 59 4.366 4.377 -0.011 1
1 658 . 13 1 1 A 59 59 TYR C C 59 173.874 175.428 -1.554 1
1 659 . 13 1 1 A 59 59 TYR CA C 59 58.862 60.237 -1.375 1
1 660 . 13 1 1 A 59 59 TYR CB C 59 36.586 38.600 -2.014 1
1 665 . 13 1 1 A 59 59 TYR N N 59 120.460 116.705 3.755 1
1 666 . 13 1 1 A 60 60 LEU H H 60 7.574 7.289 0.285 1
1 667 . 13 1 1 A 60 60 LEU HA H 60 4.964 4.442 0.522 1
1 677 . 13 1 1 A 60 60 LEU C C 60 175.663 176.079 -0.416 1
1 678 . 13 1 1 A 60 60 LEU CA C 60 53.709 53.838 -0.129 1
1 679 . 13 1 1 A 60 60 LEU CB C 60 42.879 43.220 -0.341 1
1 683 . 13 1 1 A 60 60 LEU N N 60 121.690 120.496 1.194 1
1 684 . 13 1 1 A 61 61 VAL H H 61 9.082 8.943 0.139 1
1 685 . 13 1 1 A 61 61 VAL HA H 61 4.309 4.464 -0.155 1
1 693 . 13 1 1 A 61 61 VAL C C 61 174.803 175.355 -0.552 1
1 694 . 13 1 1 A 61 61 VAL CA C 61 61.381 61.780 -0.399 1
1 695 . 13 1 1 A 61 61 VAL CB C 61 33.607 32.848 0.759 1
1 698 . 13 1 1 A 61 61 VAL N N 61 119.010 124.715 -5.705 1
1 699 . 13 1 1 A 62 62 LEU H H 62 8.307 8.829 -0.522 1
1 700 . 13 1 1 A 62 62 LEU HA H 62 4.288 4.880 -0.592 1
1 710 . 13 1 1 A 62 62 LEU C C 62 176.976 177.258 -0.282 1
1 711 . 13 1 1 A 62 62 LEU CA C 62 54.807 54.349 0.458 1
1 712 . 13 1 1 A 62 62 LEU CB C 62 42.932 41.000 1.932 1
1 716 . 13 1 1 A 62 62 LEU N N 62 127.895 128.277 -0.382 1
1 717 . 13 1 1 A 63 63 ASP H H 63 8.475 8.822 -0.347 1
1 718 . 13 1 1 A 63 63 ASP HA H 63 4.595 4.194 0.401 1
1 721 . 13 1 1 A 63 63 ASP C C 63 176.269 174.737 1.532 1
1 722 . 13 1 1 A 63 63 ASP CA C 63 53.903 54.986 -1.083 1
1 723 . 13 1 1 A 63 63 ASP CB C 63 41.618 39.605 2.013 1
1 724 . 13 1 1 A 63 63 ASP N N 63 122.904 123.641 -0.737 1
1 725 . 13 1 1 A 64 64 GLU H H 64 8.528 7.943 0.585 1
1 726 . 13 1 1 A 64 64 GLU HA H 64 4.220 4.734 -0.514 1
1 731 . 13 1 1 A 64 64 GLU C C 64 176.504 175.674 0.830 1
1 732 . 13 1 1 A 64 64 GLU CA C 64 57.043 54.745 2.298 1
1 733 . 13 1 1 A 64 64 GLU CB C 64 30.214 32.501 -2.287 1
1 735 . 13 1 1 A 64 64 GLU N N 64 122.471 117.938 4.533 1
1 736 . 13 1 1 A 65 65 ASN H H 65 8.523 8.788 -0.265 1
1 737 . 13 1 1 A 65 65 ASN HA H 65 4.661 4.177 0.484 1
1 742 . 13 1 1 A 65 65 ASN C C 65 175.223 174.046 1.177 1
1 743 . 13 1 1 A 65 65 ASN CA C 65 53.674 54.258 -0.584 1
1 744 . 13 1 1 A 65 65 ASN CB C 65 39.088 37.137 1.951 1
1 745 . 13 1 1 A 65 65 ASN N N 65 118.895 116.153 2.742 1
1 747 . 13 1 1 A 66 66 GLU H H 66 8.222 8.211 0.011 1
1 748 . 13 1 1 A 66 66 GLU HA H 66 4.293 4.552 -0.259 1
1 753 . 13 1 1 A 66 66 GLU C C 66 176.054 176.073 -0.019 1
1 754 . 13 1 1 A 66 66 GLU CA C 66 56.432 55.301 1.131 1
1 755 . 13 1 1 A 66 66 GLU CB C 66 30.476 29.489 0.987 1
1 757 . 13 1 1 A 66 66 GLU N N 66 120.919 114.902 6.017 1
1 758 . 13 1 1 A 67 67 GLN H H 67 8.293 8.303 -0.010 1
1 759 . 13 1 1 A 67 67 GLN HA H 67 4.582 4.617 -0.035 1
1 766 . 13 1 1 A 67 67 GLN C C 67 173.836 173.810 0.026 1
1 767 . 13 1 1 A 67 67 GLN CA C 67 53.593 53.429 0.164 1
1 768 . 13 1 1 A 67 67 GLN CB C 67 28.949 27.915 1.034 1
1 770 . 13 1 1 A 67 67 GLN N N 67 122.295 122.547 -0.252 1
1 772 . 13 1 1 A 68 68 PRO HA H 68 4.401 4.614 -0.213 1
1 779 . 13 1 1 A 68 68 PRO CA C 68 62.882 62.845 0.037 1
1 780 . 13 1 1 A 68 68 PRO CB C 68 32.175 32.558 -0.383 1
1 783 . 13 1 1 A 69 69 ASP H H 69 8.502 8.325 0.177 1
1 784 . 13 1 1 A 69 69 ASP HA H 69 4.836 5.067 -0.231 1
1 787 . 13 1 1 A 69 69 ASP CA C 69 51.945 51.767 0.178 1
1 788 . 13 1 1 A 69 69 ASP CB C 69 41.305 40.624 0.681 1
1 789 . 13 1 1 A 69 69 ASP N N 69 121.937 120.216 1.721 1
1 790 . 13 1 1 A 70 70 PRO HA H 70 4.437 4.464 -0.027 1
1 797 . 13 1 1 A 70 70 PRO C C 70 177.484 177.355 0.129 1
1 798 . 13 1 1 A 70 70 PRO CA C 70 63.777 64.339 -0.562 1
1 799 . 13 1 1 A 70 70 PRO CB C 70 32.027 31.817 0.210 1
1 802 . 13 1 1 A 71 71 SER H H 71 8.506 7.993 0.513 1
1 803 . 13 1 1 A 71 71 SER HA H 71 4.364 4.426 -0.062 1
1 806 . 13 1 1 A 71 71 SER C C 71 175.439 174.169 1.270 1
1 807 . 13 1 1 A 71 71 SER CA C 71 59.261 58.663 0.598 1
1 808 . 13 1 1 A 71 71 SER CB C 71 63.771 62.218 1.553 1
1 809 . 13 1 1 A 71 71 SER N N 71 115.901 111.086 4.815 1
1 810 . 13 1 1 A 72 72 GLY H H 72 8.258 8.213 0.045 1
1 811 . 13 1 1 A 72 72 GLY HA2 H 72 3.958 4.130 -0.172 1
1 812 . 13 1 1 A 72 72 GLY HA3 H 72 3.958 4.130 -0.172 1
1 813 . 13 1 1 A 72 72 GLY C C 72 174.314 172.685 1.629 1
1 814 . 13 1 1 A 72 72 GLY CA C 72 45.469 45.554 -0.085 1
1 815 . 13 1 1 A 72 72 GLY N N 72 110.595 111.598 -1.003 1
1 816 . 13 1 1 A 73 73 LYS H H 73 8.052 8.626 -0.574 1
1 817 . 13 1 1 A 73 73 LYS HA H 73 4.305 4.494 -0.189 1
1 826 . 13 1 1 A 73 73 LYS C C 73 176.792 175.395 1.397 1
1 827 . 13 1 1 A 73 73 LYS CA C 73 56.420 55.646 0.774 1
1 828 . 13 1 1 A 73 73 LYS CB C 73 33.082 32.385 0.697 1
1 832 . 13 1 1 A 73 73 LYS N N 73 120.614 123.327 -2.713 1
1 833 . 13 1 1 A 74 74 GLU H H 74 8.559 8.690 -0.131 1
1 834 . 13 1 1 A 74 74 GLU HA H 74 4.305 4.352 -0.047 1
1 839 . 13 1 1 A 74 74 GLU C C 74 176.648 176.111 0.537 1
1 840 . 13 1 1 A 74 74 GLU CA C 74 56.446 57.233 -0.787 1
1 841 . 13 1 1 A 74 74 GLU CB C 74 30.215 29.973 0.242 1
1 843 . 13 1 1 A 74 74 GLU N N 74 122.000 126.403 -4.403 1
1 844 . 13 1 1 A 75 75 SER H H 75 8.364 8.540 -0.176 1
1 845 . 13 1 1 A 75 75 SER HA H 75 4.450 4.410 0.040 1
1 846 . 13 1 1 A 75 75 SER C C 75 174.540 175.071 -0.531 1
1 847 . 13 1 1 A 75 75 SER CA C 75 58.538 58.341 0.197 1
1 848 . 13 1 1 A 75 75 SER CB C 75 63.977 63.545 0.432 1
1 849 . 13 1 1 A 75 75 SER N N 75 116.992 119.004 -2.012 1
1 850 . 13 1 1 A 76 76 GLY H H 76 8.243 8.572 -0.329 1
1 851 . 13 1 1 A 76 76 GLY HA2 H 76 4.157 4.252 -0.095 1
1 852 . 13 1 1 A 76 76 GLY HA3 H 76 4.058 4.252 -0.194 1
1 853 . 13 1 1 A 76 76 GLY CA C 76 44.680 44.013 0.667 1
1 854 . 13 1 1 A 76 76 GLY N N 76 110.704 109.380 1.324 1
1 855 . 13 1 1 A 77 77 PRO HA H 77 4.463 4.747 -0.284 1
1 862 . 13 1 1 A 77 77 PRO C C 77 177.454 175.223 2.231 1
1 863 . 13 1 1 A 77 77 PRO CA C 77 63.202 62.810 0.392 1
1 864 . 13 1 1 A 77 77 PRO CB C 77 32.276 33.040 -0.764 1
1 867 . 13 1 1 A 78 78 SER H H 78 8.535 8.771 -0.236 1
1 870 . 13 1 1 A 78 78 SER C C 78 174.735 173.305 1.430 1
1 871 . 13 1 1 A 78 78 SER CA C 78 58.373 56.925 1.448 1
1 872 . 13 1 1 A 78 78 SER CB C 78 63.977 65.442 -1.465 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.494 5.091 -0.597 1
1 2 . 14 1 1 A 6 6 SER CA C 6 58.785 56.702 2.083 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.483 64.531 -1.048 1
1 4 . 14 1 1 A 7 7 GLY H H 7 8.367 8.466 -0.099 1
1 5 . 14 1 1 A 7 7 GLY HA2 H 7 3.955 4.021 -0.066 1
1 6 . 14 1 1 A 7 7 GLY HA3 H 7 3.955 4.024 -0.069 1
1 7 . 14 1 1 A 7 7 GLY C C 7 173.640 173.583 0.057 1
1 8 . 14 1 1 A 7 7 GLY CA C 7 45.215 45.631 -0.416 1
1 9 . 14 1 1 A 7 7 GLY N N 7 110.787 109.827 0.960 1
1 10 . 14 1 1 A 8 8 ALA H H 8 8.126 8.033 0.093 1
1 11 . 14 1 1 A 8 8 ALA HA H 8 4.458 4.354 0.104 1
1 15 . 14 1 1 A 8 8 ALA C C 8 177.711 176.416 1.295 1
1 16 . 14 1 1 A 8 8 ALA CA C 8 52.493 52.241 0.252 1
1 17 . 14 1 1 A 8 8 ALA CB C 8 19.761 19.770 -0.009 1
1 18 . 14 1 1 A 8 8 ALA N N 8 123.680 124.212 -0.532 1
1 19 . 14 1 1 A 9 9 THR H H 9 8.254 8.520 -0.266 1
1 20 . 14 1 1 A 9 9 THR HA H 9 4.527 4.809 -0.282 1
1 25 . 14 1 1 A 9 9 THR C C 9 174.050 172.878 1.172 1
1 26 . 14 1 1 A 9 9 THR CA C 9 61.874 61.465 0.409 1
1 27 . 14 1 1 A 9 9 THR CB C 9 70.580 72.011 -1.431 1
1 29 . 14 1 1 A 9 9 THR N N 9 113.196 114.607 -1.411 1
1 30 . 14 1 1 A 10 10 SER H H 10 8.264 8.821 -0.557 1
1 31 . 14 1 1 A 10 10 SER HA H 10 5.228 5.540 -0.312 1
1 34 . 14 1 1 A 10 10 SER C C 10 173.318 172.815 0.503 1
1 35 . 14 1 1 A 10 10 SER CA C 10 58.404 58.212 0.192 1
1 36 . 14 1 1 A 10 10 SER CB C 10 64.098 64.549 -0.451 1
1 37 . 14 1 1 A 10 10 SER N N 10 120.509 123.349 -2.840 1
1 38 . 14 1 1 A 11 11 TYR H H 11 8.957 9.030 -0.073 1
1 39 . 14 1 1 A 11 11 TYR HA H 11 4.793 5.206 -0.413 1
1 46 . 14 1 1 A 11 11 TYR C C 11 174.111 174.008 0.103 1
1 47 . 14 1 1 A 11 11 TYR CA C 11 57.097 56.673 0.424 1
1 48 . 14 1 1 A 11 11 TYR CB C 11 43.764 43.058 0.706 1
1 53 . 14 1 1 A 11 11 TYR N N 11 124.069 123.428 0.641 1
1 54 . 14 1 1 A 12 12 MET H H 12 8.985 8.855 0.130 1
1 55 . 14 1 1 A 12 12 MET HA H 12 5.463 5.193 0.270 1
1 63 . 14 1 1 A 12 12 MET C C 12 177.045 175.100 1.945 1
1 64 . 14 1 1 A 12 12 MET CA C 12 52.215 53.904 -1.689 1
1 65 . 14 1 1 A 12 12 MET CB C 12 33.195 35.773 -2.578 1
1 68 . 14 1 1 A 12 12 MET N N 12 118.428 120.759 -2.331 1
1 69 . 14 1 1 A 13 13 THR H H 13 9.132 8.654 0.478 1
1 70 . 14 1 1 A 13 13 THR HA H 13 4.872 4.474 0.398 1
1 75 . 14 1 1 A 13 13 THR C C 13 177.032 175.156 1.876 1
1 76 . 14 1 1 A 13 13 THR CA C 13 60.003 61.485 -1.482 1
1 77 . 14 1 1 A 13 13 THR CB C 13 69.597 69.266 0.331 1
1 79 . 14 1 1 A 13 13 THR N N 13 113.981 116.503 -2.522 1
1 80 . 14 1 1 A 14 14 CYS H H 14 9.504 8.625 0.879 1
1 81 . 14 1 1 A 14 14 CYS HA H 14 4.806 4.526 0.280 1
1 84 . 14 1 1 A 14 14 CYS C C 14 173.712 174.344 -0.632 1
1 85 . 14 1 1 A 14 14 CYS CA C 14 57.209 60.024 -2.815 1
1 86 . 14 1 1 A 14 14 CYS CB C 14 28.772 28.651 0.121 1
1 87 . 14 1 1 A 14 14 CYS N N 14 122.485 121.682 0.803 1
1 88 . 14 1 1 A 15 15 SER H H 15 7.796 7.888 -0.092 1
1 89 . 14 1 1 A 15 15 SER HA H 15 4.578 5.099 -0.521 1
1 92 . 14 1 1 A 15 15 SER C C 15 171.037 173.178 -2.141 1
1 93 . 14 1 1 A 15 15 SER CA C 15 56.858 56.712 0.146 1
1 94 . 14 1 1 A 15 15 SER CB C 15 66.124 66.167 -0.043 1
1 95 . 14 1 1 A 15 15 SER N N 15 116.311 113.213 3.098 1
1 96 . 14 1 1 A 16 16 ALA H H 16 8.398 8.563 -0.165 1
1 97 . 14 1 1 A 16 16 ALA HA H 16 4.582 4.872 -0.290 1
1 101 . 14 1 1 A 16 16 ALA C C 16 176.897 176.537 0.360 1
1 102 . 14 1 1 A 16 16 ALA CA C 16 52.085 50.720 1.365 1
1 103 . 14 1 1 A 16 16 ALA CB C 16 19.720 20.043 -0.323 1
1 104 . 14 1 1 A 16 16 ALA N N 16 124.071 124.851 -0.780 1
1 105 . 14 1 1 A 17 17 TYR H H 17 8.401 8.395 0.006 1
1 106 . 14 1 1 A 17 17 TYR HA H 17 4.384 4.723 -0.339 1
1 113 . 14 1 1 A 17 17 TYR C C 17 173.836 174.238 -0.402 1
1 114 . 14 1 1 A 17 17 TYR CA C 17 57.801 58.191 -0.390 1
1 115 . 14 1 1 A 17 17 TYR CB C 17 42.166 39.359 2.807 1
1 120 . 14 1 1 A 17 17 TYR N N 17 121.997 126.253 -4.256 1
1 121 . 14 1 1 A 18 18 GLN H H 18 6.844 7.708 -0.864 1
1 122 . 14 1 1 A 18 18 GLN HA H 18 4.318 4.664 -0.346 1
1 129 . 14 1 1 A 18 18 GLN C C 18 172.990 174.392 -1.402 1
1 130 . 14 1 1 A 18 18 GLN CA C 18 52.767 53.534 -0.767 1
1 131 . 14 1 1 A 18 18 GLN CB C 18 29.940 31.318 -1.378 1
1 133 . 14 1 1 A 18 18 GLN N N 18 127.603 126.305 1.298 1
1 135 . 14 1 1 A 19 19 LYS H H 19 8.155 8.292 -0.137 1
1 136 . 14 1 1 A 19 19 LYS HA H 19 4.130 4.373 -0.243 1
1 145 . 14 1 1 A 19 19 LYS C C 19 175.995 176.649 -0.654 1
1 146 . 14 1 1 A 19 19 LYS CA C 19 56.489 56.362 0.127 1
1 147 . 14 1 1 A 19 19 LYS CB C 19 33.369 32.955 0.414 1
1 151 . 14 1 1 A 19 19 LYS N N 19 123.114 124.067 -0.953 1
1 152 . 14 1 1 A 20 20 VAL H H 20 8.679 8.712 -0.033 1
1 153 . 14 1 1 A 20 20 VAL HA H 20 4.153 4.108 0.045 1
1 161 . 14 1 1 A 20 20 VAL C C 20 176.493 175.446 1.047 1
1 162 . 14 1 1 A 20 20 VAL CA C 20 62.520 64.030 -1.510 1
1 163 . 14 1 1 A 20 20 VAL CB C 20 32.847 33.307 -0.460 1
1 166 . 14 1 1 A 20 20 VAL N N 20 120.106 120.877 -0.771 1
1 167 . 14 1 1 A 21 21 GLN H H 21 7.133 8.130 -0.997 1
1 168 . 14 1 1 A 21 21 GLN HA H 21 4.582 4.711 -0.129 1
1 175 . 14 1 1 A 21 21 GLN C C 21 177.019 176.220 0.799 1
1 176 . 14 1 1 A 21 21 GLN CA C 21 54.291 54.247 0.044 1
1 177 . 14 1 1 A 21 21 GLN CB C 21 31.023 31.513 -0.490 1
1 179 . 14 1 1 A 21 21 GLN N N 21 116.079 118.148 -2.069 1
1 181 . 14 1 1 A 22 22 ASP H H 22 8.858 8.941 -0.083 1
1 182 . 14 1 1 A 22 22 ASP HA H 22 4.318 4.378 -0.060 1
1 185 . 14 1 1 A 22 22 ASP C C 22 176.746 178.625 -1.879 1
1 186 . 14 1 1 A 22 22 ASP CA C 22 57.752 57.257 0.495 1
1 187 . 14 1 1 A 22 22 ASP CB C 22 40.859 40.407 0.452 1
1 188 . 14 1 1 A 22 22 ASP N N 22 120.173 122.611 -2.438 1
1 189 . 14 1 1 A 23 23 SER H H 23 7.860 8.139 -0.279 1
1 190 . 14 1 1 A 23 23 SER HA H 23 4.648 4.280 0.368 1
1 193 . 14 1 1 A 23 23 SER C C 23 175.526 175.361 0.165 1
1 194 . 14 1 1 A 23 23 SER CA C 23 58.597 61.523 -2.926 1
1 195 . 14 1 1 A 23 23 SER CB C 23 62.993 62.579 0.414 1
1 196 . 14 1 1 A 23 23 SER N N 23 110.013 112.481 -2.468 1
1 197 . 14 1 1 A 24 24 GLU H H 24 7.579 8.072 -0.493 1
1 198 . 14 1 1 A 24 24 GLU HA H 24 5.574 4.724 0.850 1
1 203 . 14 1 1 A 24 24 GLU C C 24 174.394 175.498 -1.104 1
1 204 . 14 1 1 A 24 24 GLU CA C 24 55.633 56.924 -1.291 1
1 205 . 14 1 1 A 24 24 GLU CB C 24 32.848 30.920 1.928 1
1 207 . 14 1 1 A 24 24 GLU N N 24 122.542 120.950 1.592 1
1 208 . 14 1 1 A 25 25 ILE H H 25 7.894 8.877 -0.983 1
1 209 . 14 1 1 A 25 25 ILE HA H 25 4.661 4.943 -0.282 1
1 219 . 14 1 1 A 25 25 ILE C C 25 171.519 174.247 -2.728 1
1 220 . 14 1 1 A 25 25 ILE CA C 25 58.838 59.528 -0.690 1
1 221 . 14 1 1 A 25 25 ILE CB C 25 42.673 42.242 0.431 1
1 225 . 14 1 1 A 25 25 ILE N N 25 117.944 123.207 -5.263 1
1 226 . 14 1 1 A 26 26 SER H H 26 7.535 9.069 -1.534 1
1 227 . 14 1 1 A 26 26 SER HA H 26 4.885 5.073 -0.188 1
1 230 . 14 1 1 A 26 26 SER C C 26 174.052 174.059 -0.007 1
1 231 . 14 1 1 A 26 26 SER CA C 26 56.515 57.361 -0.846 1
1 232 . 14 1 1 A 26 26 SER CB C 26 65.131 64.717 0.414 1
1 233 . 14 1 1 A 26 26 SER N N 26 116.426 124.007 -7.581 1
1 234 . 14 1 1 A 27 27 PHE H H 27 8.271 8.323 -0.052 1
1 235 . 14 1 1 A 27 27 PHE HA H 27 4.934 5.290 -0.356 1
1 243 . 14 1 1 A 27 27 PHE C C 27 173.278 173.133 0.145 1
1 244 . 14 1 1 A 27 27 PHE CA C 27 53.758 54.745 -0.987 1
1 245 . 14 1 1 A 27 27 PHE CB C 27 37.379 41.883 -4.504 1
1 251 . 14 1 1 A 27 27 PHE N N 27 116.221 119.071 -2.850 1
1 252 . 14 1 1 A 28 28 PRO HA H 28 4.872 4.669 0.203 1
1 259 . 14 1 1 A 28 28 PRO C C 28 176.165 175.784 0.381 1
1 260 . 14 1 1 A 28 28 PRO CA C 28 61.019 62.438 -1.419 1
1 261 . 14 1 1 A 28 28 PRO CB C 28 32.410 32.852 -0.442 1
1 264 . 14 1 1 A 29 29 ALA H H 29 8.513 8.345 0.168 1
1 265 . 14 1 1 A 29 29 ALA HA H 29 3.822 4.583 -0.761 1
1 269 . 14 1 1 A 29 29 ALA C C 29 178.074 177.910 0.164 1
1 270 . 14 1 1 A 29 29 ALA CA C 29 52.670 52.594 0.076 1
1 271 . 14 1 1 A 29 29 ALA CB C 29 19.721 19.378 0.343 1
1 272 . 14 1 1 A 29 29 ALA N N 29 120.286 123.992 -3.706 1
1 273 . 14 1 1 A 30 30 GLY H H 30 8.022 8.626 -0.604 1
1 274 . 14 1 1 A 30 30 GLY HA2 H 30 3.956 4.084 -0.128 1
1 275 . 14 1 1 A 30 30 GLY HA3 H 30 3.733 4.090 -0.357 1
1 276 . 14 1 1 A 30 30 GLY C C 30 174.944 173.709 1.235 1
1 277 . 14 1 1 A 30 30 GLY CA C 30 46.739 45.127 1.612 1
1 278 . 14 1 1 A 30 30 GLY N N 30 110.746 111.351 -0.605 1
1 279 . 14 1 1 A 31 31 VAL H H 31 7.736 7.623 0.113 1
1 280 . 14 1 1 A 31 31 VAL HA H 31 4.753 4.825 -0.072 1
1 288 . 14 1 1 A 31 31 VAL C C 31 173.642 174.100 -0.458 1
1 289 . 14 1 1 A 31 31 VAL CA C 31 58.809 59.152 -0.343 1
1 290 . 14 1 1 A 31 31 VAL CB C 31 34.719 35.630 -0.911 1
1 293 . 14 1 1 A 31 31 VAL N N 31 112.109 115.170 -3.061 1
1 294 . 14 1 1 A 32 32 GLU H H 32 8.264 8.806 -0.542 1
1 295 . 14 1 1 A 32 32 GLU HA H 32 5.090 4.931 0.159 1
1 300 . 14 1 1 A 32 32 GLU C C 32 176.725 176.128 0.597 1
1 301 . 14 1 1 A 32 32 GLU CA C 32 55.713 55.551 0.162 1
1 302 . 14 1 1 A 32 32 GLU CB C 32 31.615 31.089 0.526 1
1 304 . 14 1 1 A 32 32 GLU N N 32 121.304 123.415 -2.111 1
1 305 . 14 1 1 A 33 33 VAL H H 33 9.136 8.822 0.314 1
1 306 . 14 1 1 A 33 33 VAL HA H 33 5.001 4.991 0.010 1
1 314 . 14 1 1 A 33 33 VAL C C 33 174.395 173.339 1.056 1
1 315 . 14 1 1 A 33 33 VAL CA C 33 58.765 58.657 0.108 1
1 316 . 14 1 1 A 33 33 VAL CB C 33 34.596 36.111 -1.515 1
1 319 . 14 1 1 A 33 33 VAL N N 33 117.728 119.521 -1.793 1
1 320 . 14 1 1 A 34 34 GLN H H 34 8.551 8.656 -0.105 1
1 321 . 14 1 1 A 34 34 GLN HA H 34 5.052 5.095 -0.043 1
1 328 . 14 1 1 A 34 34 GLN C C 34 175.752 174.372 1.380 1
1 329 . 14 1 1 A 34 34 GLN CA C 34 54.328 54.197 0.131 1
1 330 . 14 1 1 A 34 34 GLN CB C 34 30.760 31.837 -1.077 1
1 332 . 14 1 1 A 34 34 GLN N N 34 119.032 121.087 -2.055 1
1 334 . 14 1 1 A 35 35 VAL H H 35 9.180 9.126 0.054 1
1 335 . 14 1 1 A 35 35 VAL HA H 35 4.144 3.952 0.192 1
1 343 . 14 1 1 A 35 35 VAL C C 35 175.602 175.152 0.450 1
1 344 . 14 1 1 A 35 35 VAL CA C 35 63.035 63.221 -0.186 1
1 345 . 14 1 1 A 35 35 VAL CB C 35 32.056 30.675 1.381 1
1 348 . 14 1 1 A 35 35 VAL N N 35 124.135 127.572 -3.437 1
1 349 . 14 1 1 A 36 36 LEU H H 36 9.175 8.874 0.301 1
1 350 . 14 1 1 A 36 36 LEU HA H 36 4.429 4.125 0.304 1
1 360 . 14 1 1 A 36 36 LEU C C 36 177.299 176.488 0.811 1
1 361 . 14 1 1 A 36 36 LEU CA C 36 55.785 57.490 -1.705 1
1 362 . 14 1 1 A 36 36 LEU CB C 36 42.924 42.474 0.450 1
1 366 . 14 1 1 A 36 36 LEU N N 36 129.320 129.684 -0.364 1
1 367 . 14 1 1 A 37 37 GLU H H 37 7.569 7.921 -0.352 1
1 368 . 14 1 1 A 37 37 GLU HA H 37 4.414 4.894 -0.480 1
1 373 . 14 1 1 A 37 37 GLU C C 37 174.132 174.624 -0.492 1
1 374 . 14 1 1 A 37 37 GLU CA C 37 56.244 54.651 1.593 1
1 375 . 14 1 1 A 37 37 GLU CB C 37 33.236 33.288 -0.052 1
1 377 . 14 1 1 A 37 37 GLU N N 37 116.925 115.435 1.490 1
1 378 . 14 1 1 A 38 38 LYS H H 38 8.693 8.744 -0.051 1
1 379 . 14 1 1 A 38 38 LYS HA H 38 4.181 5.062 -0.881 1
1 388 . 14 1 1 A 38 38 LYS C C 38 175.877 175.320 0.557 1
1 389 . 14 1 1 A 38 38 LYS CA C 38 55.579 54.636 0.943 1
1 390 . 14 1 1 A 38 38 LYS CB C 38 34.965 35.061 -0.096 1
1 394 . 14 1 1 A 38 38 LYS N N 38 124.828 125.027 -0.199 1
1 395 . 14 1 1 A 39 39 GLN H H 39 7.682 9.000 -1.318 1
1 396 . 14 1 1 A 39 39 GLN HA H 39 4.896 4.709 0.187 1
1 403 . 14 1 1 A 39 39 GLN C C 39 177.964 176.760 1.204 1
1 404 . 14 1 1 A 39 39 GLN CA C 39 55.324 55.100 0.224 1
1 405 . 14 1 1 A 39 39 GLN CB C 39 31.670 30.555 1.115 1
1 407 . 14 1 1 A 39 39 GLN N N 39 119.391 122.902 -3.511 1
1 409 . 14 1 1 A 40 40 GLU HA H 40 4.308 4.034 0.274 1
1 414 . 14 1 1 A 40 40 GLU C C 40 176.777 178.257 -1.480 1
1 415 . 14 1 1 A 40 40 GLU CA C 40 58.541 60.032 -1.491 1
1 416 . 14 1 1 A 40 40 GLU CB C 40 29.363 29.474 -0.111 1
1 418 . 14 1 1 A 41 41 SER H H 41 7.986 8.177 -0.191 1
1 419 . 14 1 1 A 41 41 SER HA H 41 4.413 4.282 0.131 1
1 422 . 14 1 1 A 41 41 SER C C 41 175.434 174.735 0.699 1
1 423 . 14 1 1 A 41 41 SER CA C 41 58.707 62.121 -3.414 1
1 424 . 14 1 1 A 41 41 SER CB C 41 63.871 63.319 0.552 1
1 425 . 14 1 1 A 41 41 SER N N 41 113.216 117.961 -4.745 1
1 426 . 14 1 1 A 42 42 GLY H H 42 8.135 7.735 0.400 1
1 427 . 14 1 1 A 42 42 GLY HA2 H 42 4.347 4.033 0.314 1
1 428 . 14 1 1 A 42 42 GLY HA3 H 42 3.625 4.106 -0.481 1
1 429 . 14 1 1 A 42 42 GLY C C 42 173.338 174.611 -1.273 1
1 430 . 14 1 1 A 42 42 GLY CA C 42 44.998 45.550 -0.552 1
1 431 . 14 1 1 A 42 42 GLY N N 42 108.513 107.372 1.141 1
1 432 . 14 1 1 A 43 43 TRP H H 43 7.820 8.024 -0.204 1
1 433 . 14 1 1 A 43 43 TRP HA H 43 4.942 4.449 0.493 1
1 442 . 14 1 1 A 43 43 TRP C C 43 174.648 176.439 -1.791 1
1 443 . 14 1 1 A 43 43 TRP CA C 43 57.245 57.971 -0.726 1
1 444 . 14 1 1 A 43 43 TRP CB C 43 30.102 30.281 -0.179 1
1 450 . 14 1 1 A 43 43 TRP N N 43 122.320 120.550 1.770 1
1 452 . 14 1 1 A 44 44 TRP H H 44 9.769 8.985 0.784 1
1 453 . 14 1 1 A 44 44 TRP HA H 44 5.875 5.367 0.508 1
1 462 . 14 1 1 A 44 44 TRP C C 44 173.703 175.159 -1.456 1
1 463 . 14 1 1 A 44 44 TRP CA C 44 53.298 54.500 -1.202 1
1 464 . 14 1 1 A 44 44 TRP CB C 44 32.961 32.451 0.510 1
1 470 . 14 1 1 A 44 44 TRP N N 44 125.138 123.570 1.568 1
1 472 . 14 1 1 A 45 45 TYR H H 45 9.168 8.954 0.214 1
1 473 . 14 1 1 A 45 45 TYR HA H 45 4.173 4.072 0.101 1
1 480 . 14 1 1 A 45 45 TYR C C 45 175.086 175.003 0.083 1
1 481 . 14 1 1 A 45 45 TYR CA C 45 58.044 56.709 1.335 1
1 482 . 14 1 1 A 45 45 TYR CB C 45 38.792 37.490 1.302 1
1 487 . 14 1 1 A 45 45 TYR N N 45 127.429 126.026 1.403 1
1 488 . 14 1 1 A 46 46 VAL H H 46 8.689 8.670 0.019 1
1 489 . 14 1 1 A 46 46 VAL HA H 46 5.142 4.930 0.212 1
1 497 . 14 1 1 A 46 46 VAL C C 46 172.384 173.774 -1.390 1
1 498 . 14 1 1 A 46 46 VAL CA C 46 59.010 59.636 -0.626 1
1 499 . 14 1 1 A 46 46 VAL CB C 46 35.502 33.807 1.695 1
1 502 . 14 1 1 A 46 46 VAL N N 46 124.245 122.274 1.971 1
1 503 . 14 1 1 A 47 47 ARG H H 47 9.049 8.562 0.487 1
1 504 . 14 1 1 A 47 47 ARG HA H 47 5.163 4.918 0.245 1
1 512 . 14 1 1 A 47 47 ARG C C 47 175.057 174.019 1.038 1
1 513 . 14 1 1 A 47 47 ARG CA C 47 54.158 54.372 -0.214 1
1 514 . 14 1 1 A 47 47 ARG CB C 47 34.146 33.584 0.562 1
1 517 . 14 1 1 A 47 47 ARG N N 47 120.700 121.355 -0.655 1
1 519 . 14 1 1 A 48 48 PHE H H 48 9.042 9.003 0.039 1
1 520 . 14 1 1 A 48 48 PHE HA H 48 5.296 4.725 0.571 1
1 528 . 14 1 1 A 48 48 PHE C C 48 175.133 175.553 -0.420 1
1 529 . 14 1 1 A 48 48 PHE CA C 48 54.446 57.002 -2.556 1
1 530 . 14 1 1 A 48 48 PHE CB C 48 40.369 40.852 -0.483 1
1 536 . 14 1 1 A 48 48 PHE N N 48 128.029 127.938 0.091 1
1 537 . 14 1 1 A 49 49 GLY H H 49 9.103 8.846 0.257 1
1 538 . 14 1 1 A 49 49 GLY HA2 H 49 3.644 3.563 0.081 1
1 539 . 14 1 1 A 49 49 GLY HA3 H 49 3.503 3.708 -0.205 1
1 540 . 14 1 1 A 49 49 GLY C C 49 174.287 174.660 -0.373 1
1 541 . 14 1 1 A 49 49 GLY CA C 49 47.008 47.087 -0.079 1
1 542 . 14 1 1 A 49 49 GLY N N 49 118.890 115.795 3.095 1
1 543 . 14 1 1 A 50 50 GLU H H 50 8.920 8.585 0.335 1
1 544 . 14 1 1 A 50 50 GLU HA H 50 4.333 4.394 -0.061 1
1 549 . 14 1 1 A 50 50 GLU C C 50 176.000 175.619 0.381 1
1 550 . 14 1 1 A 50 50 GLU CA C 50 56.080 56.111 -0.031 1
1 551 . 14 1 1 A 50 50 GLU CB C 50 30.022 29.715 0.307 1
1 553 . 14 1 1 A 50 50 GLU N N 50 125.280 126.091 -0.811 1
1 554 . 14 1 1 A 51 51 LEU H H 51 7.792 7.415 0.377 1
1 555 . 14 1 1 A 51 51 LEU HA H 51 4.635 4.898 -0.263 1
1 565 . 14 1 1 A 51 51 LEU C C 51 175.050 175.084 -0.034 1
1 566 . 14 1 1 A 51 51 LEU CA C 51 54.074 53.576 0.498 1
1 567 . 14 1 1 A 51 51 LEU CB C 51 44.171 47.602 -3.431 1
1 571 . 14 1 1 A 51 51 LEU N N 51 121.706 120.020 1.686 1
1 572 . 14 1 1 A 52 52 GLU H H 52 8.165 8.697 -0.532 1
1 573 . 14 1 1 A 52 52 GLU HA H 52 5.476 5.083 0.393 1
1 578 . 14 1 1 A 52 52 GLU C C 52 176.062 175.235 0.827 1
1 579 . 14 1 1 A 52 52 GLU CA C 52 53.810 54.702 -0.892 1
1 580 . 14 1 1 A 52 52 GLU CB C 52 33.486 32.918 0.568 1
1 582 . 14 1 1 A 52 52 GLU N N 52 116.700 119.956 -3.256 1
1 583 . 14 1 1 A 53 53 GLY H H 53 8.091 8.416 -0.325 1
1 584 . 14 1 1 A 53 53 GLY HA2 H 53 3.882 4.468 -0.586 1
1 585 . 14 1 1 A 53 53 GLY HA3 H 53 3.730 4.544 -0.814 1
1 586 . 14 1 1 A 53 53 GLY C C 53 170.279 171.603 -1.324 1
1 587 . 14 1 1 A 53 53 GLY CA C 53 45.344 44.553 0.791 1
1 588 . 14 1 1 A 53 53 GLY N N 53 106.613 110.617 -4.004 1
1 589 . 14 1 1 A 54 54 TRP H H 54 8.595 8.882 -0.287 1
1 590 . 14 1 1 A 54 54 TRP HA H 54 5.348 5.527 -0.179 1
1 599 . 14 1 1 A 54 54 TRP C C 54 175.873 176.346 -0.473 1
1 600 . 14 1 1 A 54 54 TRP CA C 54 57.602 56.919 0.683 1
1 601 . 14 1 1 A 54 54 TRP CB C 54 31.176 30.806 0.370 1
1 607 . 14 1 1 A 54 54 TRP N N 54 120.550 120.469 0.081 1
1 609 . 14 1 1 A 55 55 ALA H H 55 9.993 9.203 0.790 1
1 610 . 14 1 1 A 55 55 ALA HA H 55 4.978 4.268 0.710 1
1 614 . 14 1 1 A 55 55 ALA C C 55 173.642 174.422 -0.780 1
1 615 . 14 1 1 A 55 55 ALA CA C 55 49.335 48.946 0.389 1
1 616 . 14 1 1 A 55 55 ALA CB C 55 22.101 21.555 0.546 1
1 617 . 14 1 1 A 55 55 ALA N N 55 122.386 127.495 -5.109 1
1 618 . 14 1 1 A 56 56 PRO HA H 56 3.586 3.778 -0.192 1
1 625 . 14 1 1 A 56 56 PRO C C 56 178.765 176.761 2.004 1
1 626 . 14 1 1 A 56 56 PRO CA C 56 61.218 62.068 -0.850 1
1 627 . 14 1 1 A 56 56 PRO CB C 56 30.430 32.237 -1.807 1
1 630 . 14 1 1 A 57 57 SER H H 57 8.187 7.371 0.816 1
1 631 . 14 1 1 A 57 57 SER HA H 57 2.721 3.239 -0.518 1
1 634 . 14 1 1 A 57 57 SER C C 57 175.094 175.968 -0.874 1
1 635 . 14 1 1 A 57 57 SER CA C 57 60.865 60.036 0.829 1
1 636 . 14 1 1 A 57 57 SER CB C 57 60.645 61.718 -1.073 1
1 637 . 14 1 1 A 57 57 SER N N 57 120.088 118.312 1.776 1
1 638 . 14 1 1 A 58 58 HIS H H 58 7.482 6.945 0.537 1
1 639 . 14 1 1 A 58 58 HIS HA H 58 4.433 4.095 0.338 1
1 644 . 14 1 1 A 58 58 HIS C C 58 175.763 177.640 -1.877 1
1 645 . 14 1 1 A 58 58 HIS CA C 58 56.938 58.919 -1.981 1
1 646 . 14 1 1 A 58 58 HIS CB C 58 28.597 30.354 -1.757 1
1 649 . 14 1 1 A 58 58 HIS N N 58 115.490 119.126 -3.636 1
1 650 . 14 1 1 A 59 59 TYR H H 59 7.251 8.017 -0.766 1
1 651 . 14 1 1 A 59 59 TYR HA H 59 4.366 4.282 0.084 1
1 658 . 14 1 1 A 59 59 TYR C C 59 173.874 176.247 -2.373 1
1 659 . 14 1 1 A 59 59 TYR CA C 59 58.862 60.331 -1.469 1
1 660 . 14 1 1 A 59 59 TYR CB C 59 36.586 39.066 -2.480 1
1 665 . 14 1 1 A 59 59 TYR N N 59 120.460 117.065 3.395 1
1 666 . 14 1 1 A 60 60 LEU H H 60 7.574 6.938 0.636 1
1 667 . 14 1 1 A 60 60 LEU HA H 60 4.964 4.309 0.655 1
1 677 . 14 1 1 A 60 60 LEU C C 60 175.663 176.293 -0.630 1
1 678 . 14 1 1 A 60 60 LEU CA C 60 53.709 54.578 -0.869 1
1 679 . 14 1 1 A 60 60 LEU CB C 60 42.879 42.826 0.053 1
1 683 . 14 1 1 A 60 60 LEU N N 60 121.690 119.316 2.374 1
1 684 . 14 1 1 A 61 61 VAL H H 61 9.082 8.690 0.392 1
1 685 . 14 1 1 A 61 61 VAL HA H 61 4.309 4.816 -0.507 1
1 693 . 14 1 1 A 61 61 VAL C C 61 174.803 174.275 0.528 1
1 694 . 14 1 1 A 61 61 VAL CA C 61 61.381 60.290 1.091 1
1 695 . 14 1 1 A 61 61 VAL CB C 61 33.607 33.907 -0.300 1
1 698 . 14 1 1 A 61 61 VAL N N 61 119.010 125.343 -6.333 1
1 699 . 14 1 1 A 62 62 LEU H H 62 8.307 9.143 -0.836 1
1 700 . 14 1 1 A 62 62 LEU HA H 62 4.288 4.614 -0.326 1
1 710 . 14 1 1 A 62 62 LEU C C 62 176.976 176.161 0.815 1
1 711 . 14 1 1 A 62 62 LEU CA C 62 54.807 54.227 0.580 1
1 712 . 14 1 1 A 62 62 LEU CB C 62 42.932 41.492 1.440 1
1 716 . 14 1 1 A 62 62 LEU N N 62 127.895 129.883 -1.988 1
1 717 . 14 1 1 A 63 63 ASP H H 63 8.475 8.726 -0.251 1
1 718 . 14 1 1 A 63 63 ASP HA H 63 4.595 4.837 -0.242 1
1 721 . 14 1 1 A 63 63 ASP C C 63 176.269 177.039 -0.770 1
1 722 . 14 1 1 A 63 63 ASP CA C 63 53.903 53.202 0.701 1
1 723 . 14 1 1 A 63 63 ASP CB C 63 41.618 40.482 1.136 1
1 724 . 14 1 1 A 63 63 ASP N N 63 122.904 125.673 -2.769 1
1 725 . 14 1 1 A 64 64 GLU H H 64 8.528 8.130 0.398 1
1 726 . 14 1 1 A 64 64 GLU HA H 64 4.220 4.050 0.170 1
1 731 . 14 1 1 A 64 64 GLU C C 64 176.504 178.281 -1.777 1
1 732 . 14 1 1 A 64 64 GLU CA C 64 57.043 59.297 -2.254 1
1 733 . 14 1 1 A 64 64 GLU CB C 64 30.214 29.215 0.999 1
1 735 . 14 1 1 A 64 64 GLU N N 64 122.471 120.297 2.174 1
1 736 . 14 1 1 A 65 65 ASN H H 65 8.523 7.838 0.685 1
1 737 . 14 1 1 A 65 65 ASN HA H 65 4.661 4.516 0.145 1
1 742 . 14 1 1 A 65 65 ASN C C 65 175.223 175.623 -0.400 1
1 743 . 14 1 1 A 65 65 ASN CA C 65 53.674 56.417 -2.743 1
1 744 . 14 1 1 A 65 65 ASN CB C 65 39.088 38.336 0.752 1
1 745 . 14 1 1 A 65 65 ASN N N 65 118.895 117.559 1.336 1
1 747 . 14 1 1 A 66 66 GLU H H 66 8.222 7.381 0.841 1
1 748 . 14 1 1 A 66 66 GLU HA H 66 4.293 4.858 -0.565 1
1 753 . 14 1 1 A 66 66 GLU C C 66 176.054 174.526 1.528 1
1 754 . 14 1 1 A 66 66 GLU CA C 66 56.432 55.016 1.416 1
1 755 . 14 1 1 A 66 66 GLU CB C 66 30.476 32.850 -2.374 1
1 757 . 14 1 1 A 66 66 GLU N N 66 120.919 112.746 8.173 1
1 758 . 14 1 1 A 67 67 GLN H H 67 8.293 8.495 -0.202 1
1 759 . 14 1 1 A 67 67 GLN HA H 67 4.582 4.847 -0.265 1
1 766 . 14 1 1 A 67 67 GLN C C 67 173.836 173.344 0.492 1
1 767 . 14 1 1 A 67 67 GLN CA C 67 53.593 52.368 1.225 1
1 768 . 14 1 1 A 67 67 GLN CB C 67 28.949 31.721 -2.772 1
1 770 . 14 1 1 A 67 67 GLN N N 67 122.295 120.751 1.544 1
1 772 . 14 1 1 A 68 68 PRO HA H 68 4.401 4.699 -0.298 1
1 779 . 14 1 1 A 68 68 PRO CA C 68 62.882 62.603 0.279 1
1 780 . 14 1 1 A 68 68 PRO CB C 68 32.175 32.017 0.158 1
1 783 . 14 1 1 A 69 69 ASP H H 69 8.502 8.322 0.180 1
1 784 . 14 1 1 A 69 69 ASP HA H 69 4.836 5.239 -0.403 1
1 787 . 14 1 1 A 69 69 ASP CA C 69 51.945 51.621 0.324 1
1 788 . 14 1 1 A 69 69 ASP CB C 69 41.305 40.969 0.336 1
1 789 . 14 1 1 A 69 69 ASP N N 69 121.937 119.399 2.538 1
1 790 . 14 1 1 A 70 70 PRO HA H 70 4.437 4.471 -0.034 1
1 797 . 14 1 1 A 70 70 PRO C C 70 177.484 176.479 1.005 1
1 798 . 14 1 1 A 70 70 PRO CA C 70 63.777 64.613 -0.836 1
1 799 . 14 1 1 A 70 70 PRO CB C 70 32.027 32.107 -0.080 1
1 802 . 14 1 1 A 71 71 SER H H 71 8.506 7.528 0.978 1
1 803 . 14 1 1 A 71 71 SER HA H 71 4.364 4.655 -0.291 1
1 806 . 14 1 1 A 71 71 SER C C 71 175.439 172.730 2.709 1
1 807 . 14 1 1 A 71 71 SER CA C 71 59.261 57.396 1.865 1
1 808 . 14 1 1 A 71 71 SER CB C 71 63.771 65.595 -1.824 1
1 809 . 14 1 1 A 71 71 SER N N 71 115.901 112.052 3.849 1
1 810 . 14 1 1 A 72 72 GLY H H 72 8.258 8.513 -0.255 1
1 811 . 14 1 1 A 72 72 GLY HA2 H 72 3.958 4.163 -0.205 1
1 812 . 14 1 1 A 72 72 GLY HA3 H 72 3.958 4.165 -0.207 1
1 813 . 14 1 1 A 72 72 GLY C C 72 174.314 173.894 0.420 1
1 814 . 14 1 1 A 72 72 GLY CA C 72 45.469 45.524 -0.055 1
1 815 . 14 1 1 A 72 72 GLY N N 72 110.595 110.713 -0.118 1
1 816 . 14 1 1 A 73 73 LYS H H 73 8.052 8.160 -0.108 1
1 817 . 14 1 1 A 73 73 LYS HA H 73 4.305 4.851 -0.546 1
1 826 . 14 1 1 A 73 73 LYS C C 73 176.792 174.728 2.064 1
1 827 . 14 1 1 A 73 73 LYS CA C 73 56.420 54.969 1.451 1
1 828 . 14 1 1 A 73 73 LYS CB C 73 33.082 34.990 -1.908 1
1 832 . 14 1 1 A 73 73 LYS N N 73 120.614 121.182 -0.568 1
1 833 . 14 1 1 A 74 74 GLU H H 74 8.559 8.939 -0.380 1
1 834 . 14 1 1 A 74 74 GLU HA H 74 4.305 4.751 -0.446 1
1 839 . 14 1 1 A 74 74 GLU C C 74 176.648 176.576 0.072 1
1 840 . 14 1 1 A 74 74 GLU CA C 74 56.446 55.423 1.023 1
1 841 . 14 1 1 A 74 74 GLU CB C 74 30.215 31.140 -0.925 1
1 843 . 14 1 1 A 74 74 GLU N N 74 122.000 127.027 -5.027 1
1 844 . 14 1 1 A 75 75 SER H H 75 8.364 9.116 -0.752 1
1 845 . 14 1 1 A 75 75 SER HA H 75 4.450 4.230 0.220 1
1 846 . 14 1 1 A 75 75 SER C C 75 174.540 177.057 -2.517 1
1 847 . 14 1 1 A 75 75 SER CA C 75 58.538 61.101 -2.563 1
1 848 . 14 1 1 A 75 75 SER CB C 75 63.977 62.733 1.244 1
1 849 . 14 1 1 A 75 75 SER N N 75 116.992 121.575 -4.583 1
1 850 . 14 1 1 A 76 76 GLY H H 76 8.243 8.243 0.000 1
1 851 . 14 1 1 A 76 76 GLY HA2 H 76 4.157 3.759 0.398 1
1 852 . 14 1 1 A 76 76 GLY HA3 H 76 4.058 3.760 0.298 1
1 853 . 14 1 1 A 76 76 GLY CA C 76 44.680 47.813 -3.133 1
1 854 . 14 1 1 A 76 76 GLY N N 76 110.704 109.326 1.378 1
1 855 . 14 1 1 A 77 77 PRO HA H 77 4.463 4.652 -0.189 1
1 862 . 14 1 1 A 77 77 PRO C C 77 177.454 176.088 1.366 1
1 863 . 14 1 1 A 77 77 PRO CA C 77 63.202 62.863 0.339 1
1 864 . 14 1 1 A 77 77 PRO CB C 77 32.276 31.689 0.587 1
1 867 . 14 1 1 A 78 78 SER H H 78 8.535 8.758 -0.223 1
1 870 . 14 1 1 A 78 78 SER C C 78 174.735 174.073 0.662 1
1 871 . 14 1 1 A 78 78 SER CA C 78 58.373 57.624 0.749 1
1 872 . 14 1 1 A 78 78 SER CB C 78 63.977 65.737 -1.760 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.494 4.464 0.030 1
1 2 . 15 1 1 A 6 6 SER CA C 6 58.785 58.981 -0.196 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.483 62.377 1.106 1
1 4 . 15 1 1 A 7 7 GLY H H 7 8.367 8.454 -0.087 1
1 5 . 15 1 1 A 7 7 GLY HA2 H 7 3.955 4.169 -0.214 1
1 6 . 15 1 1 A 7 7 GLY HA3 H 7 3.955 4.170 -0.215 1
1 7 . 15 1 1 A 7 7 GLY C C 7 173.640 172.487 1.153 1
1 8 . 15 1 1 A 7 7 GLY CA C 7 45.215 46.022 -0.807 1
1 9 . 15 1 1 A 7 7 GLY N N 7 110.787 112.358 -1.571 1
1 10 . 15 1 1 A 8 8 ALA H H 8 8.126 8.089 0.037 1
1 11 . 15 1 1 A 8 8 ALA HA H 8 4.458 4.491 -0.033 1
1 15 . 15 1 1 A 8 8 ALA C C 8 177.711 176.268 1.443 1
1 16 . 15 1 1 A 8 8 ALA CA C 8 52.493 51.841 0.652 1
1 17 . 15 1 1 A 8 8 ALA CB C 8 19.761 20.031 -0.270 1
1 18 . 15 1 1 A 8 8 ALA N N 8 123.680 124.433 -0.753 1
1 19 . 15 1 1 A 9 9 THR H H 9 8.254 8.735 -0.481 1
1 20 . 15 1 1 A 9 9 THR HA H 9 4.527 4.965 -0.438 1
1 25 . 15 1 1 A 9 9 THR C C 9 174.050 173.768 0.282 1
1 26 . 15 1 1 A 9 9 THR CA C 9 61.874 60.751 1.123 1
1 27 . 15 1 1 A 9 9 THR CB C 9 70.580 71.735 -1.155 1
1 29 . 15 1 1 A 9 9 THR N N 9 113.196 114.786 -1.590 1
1 30 . 15 1 1 A 10 10 SER H H 10 8.264 9.055 -0.791 1
1 31 . 15 1 1 A 10 10 SER HA H 10 5.228 5.706 -0.478 1
1 34 . 15 1 1 A 10 10 SER C C 10 173.318 173.645 -0.327 1
1 35 . 15 1 1 A 10 10 SER CA C 10 58.404 57.045 1.359 1
1 36 . 15 1 1 A 10 10 SER CB C 10 64.098 64.891 -0.793 1
1 37 . 15 1 1 A 10 10 SER N N 10 120.509 119.901 0.608 1
1 38 . 15 1 1 A 11 11 TYR H H 11 8.957 9.650 -0.693 1
1 39 . 15 1 1 A 11 11 TYR HA H 11 4.793 5.247 -0.454 1
1 46 . 15 1 1 A 11 11 TYR C C 11 174.111 174.168 -0.057 1
1 47 . 15 1 1 A 11 11 TYR CA C 11 57.097 56.609 0.488 1
1 48 . 15 1 1 A 11 11 TYR CB C 11 43.764 42.740 1.024 1
1 53 . 15 1 1 A 11 11 TYR N N 11 124.069 121.606 2.463 1
1 54 . 15 1 1 A 12 12 MET H H 12 8.985 8.762 0.223 1
1 55 . 15 1 1 A 12 12 MET HA H 12 5.463 5.204 0.259 1
1 63 . 15 1 1 A 12 12 MET C C 12 177.045 175.281 1.764 1
1 64 . 15 1 1 A 12 12 MET CA C 12 52.215 54.074 -1.859 1
1 65 . 15 1 1 A 12 12 MET CB C 12 33.195 35.986 -2.791 1
1 68 . 15 1 1 A 12 12 MET N N 12 118.428 121.257 -2.829 1
1 69 . 15 1 1 A 13 13 THR H H 13 9.132 8.607 0.525 1
1 70 . 15 1 1 A 13 13 THR HA H 13 4.872 4.544 0.328 1
1 75 . 15 1 1 A 13 13 THR C C 13 177.032 175.180 1.852 1
1 76 . 15 1 1 A 13 13 THR CA C 13 60.003 61.764 -1.761 1
1 77 . 15 1 1 A 13 13 THR CB C 13 69.597 69.568 0.029 1
1 79 . 15 1 1 A 13 13 THR N N 13 113.981 116.116 -2.135 1
1 80 . 15 1 1 A 14 14 CYS H H 14 9.504 8.747 0.757 1
1 81 . 15 1 1 A 14 14 CYS HA H 14 4.806 4.497 0.309 1
1 84 . 15 1 1 A 14 14 CYS C C 14 173.712 174.249 -0.537 1
1 85 . 15 1 1 A 14 14 CYS CA C 14 57.209 60.328 -3.119 1
1 86 . 15 1 1 A 14 14 CYS CB C 14 28.772 28.873 -0.101 1
1 87 . 15 1 1 A 14 14 CYS N N 14 122.485 122.954 -0.469 1
1 88 . 15 1 1 A 15 15 SER H H 15 7.796 7.791 0.005 1
1 89 . 15 1 1 A 15 15 SER HA H 15 4.578 4.703 -0.125 1
1 92 . 15 1 1 A 15 15 SER C C 15 171.037 172.601 -1.564 1
1 93 . 15 1 1 A 15 15 SER CA C 15 56.858 56.478 0.380 1
1 94 . 15 1 1 A 15 15 SER CB C 15 66.124 65.864 0.260 1
1 95 . 15 1 1 A 15 15 SER N N 15 116.311 113.813 2.498 1
1 96 . 15 1 1 A 16 16 ALA H H 16 8.398 8.604 -0.206 1
1 97 . 15 1 1 A 16 16 ALA HA H 16 4.582 5.053 -0.471 1
1 101 . 15 1 1 A 16 16 ALA C C 16 176.897 176.022 0.875 1
1 102 . 15 1 1 A 16 16 ALA CA C 16 52.085 50.737 1.348 1
1 103 . 15 1 1 A 16 16 ALA CB C 16 19.720 20.162 -0.442 1
1 104 . 15 1 1 A 16 16 ALA N N 16 124.071 125.533 -1.462 1
1 105 . 15 1 1 A 17 17 TYR H H 17 8.401 8.027 0.374 1
1 106 . 15 1 1 A 17 17 TYR HA H 17 4.384 4.602 -0.218 1
1 113 . 15 1 1 A 17 17 TYR C C 17 173.836 173.780 0.056 1
1 114 . 15 1 1 A 17 17 TYR CA C 17 57.801 57.407 0.394 1
1 115 . 15 1 1 A 17 17 TYR CB C 17 42.166 39.262 2.904 1
1 120 . 15 1 1 A 17 17 TYR N N 17 121.997 126.278 -4.281 1
1 121 . 15 1 1 A 18 18 GLN H H 18 6.844 8.135 -1.291 1
1 122 . 15 1 1 A 18 18 GLN HA H 18 4.318 4.491 -0.173 1
1 129 . 15 1 1 A 18 18 GLN C C 18 172.990 174.995 -2.005 1
1 130 . 15 1 1 A 18 18 GLN CA C 18 52.767 54.184 -1.417 1
1 131 . 15 1 1 A 18 18 GLN CB C 18 29.940 30.710 -0.770 1
1 133 . 15 1 1 A 18 18 GLN N N 18 127.603 127.473 0.130 1
1 135 . 15 1 1 A 19 19 LYS H H 19 8.155 8.383 -0.228 1
1 136 . 15 1 1 A 19 19 LYS HA H 19 4.130 4.474 -0.344 1
1 145 . 15 1 1 A 19 19 LYS C C 19 175.995 175.589 0.406 1
1 146 . 15 1 1 A 19 19 LYS CA C 19 56.489 55.906 0.583 1
1 147 . 15 1 1 A 19 19 LYS CB C 19 33.369 33.775 -0.406 1
1 151 . 15 1 1 A 19 19 LYS N N 19 123.114 124.275 -1.161 1
1 152 . 15 1 1 A 20 20 VAL H H 20 8.679 8.916 -0.237 1
1 153 . 15 1 1 A 20 20 VAL HA H 20 4.153 4.243 -0.090 1
1 161 . 15 1 1 A 20 20 VAL C C 20 176.493 175.592 0.901 1
1 162 . 15 1 1 A 20 20 VAL CA C 20 62.520 63.314 -0.794 1
1 163 . 15 1 1 A 20 20 VAL CB C 20 32.847 34.487 -1.640 1
1 166 . 15 1 1 A 20 20 VAL N N 20 120.106 119.050 1.056 1
1 167 . 15 1 1 A 21 21 GLN H H 21 7.133 7.449 -0.316 1
1 168 . 15 1 1 A 21 21 GLN HA H 21 4.582 4.624 -0.042 1
1 175 . 15 1 1 A 21 21 GLN C C 21 177.019 176.596 0.423 1
1 176 . 15 1 1 A 21 21 GLN CA C 21 54.291 54.688 -0.397 1
1 177 . 15 1 1 A 21 21 GLN CB C 21 31.023 30.374 0.649 1
1 179 . 15 1 1 A 21 21 GLN N N 21 116.079 119.526 -3.447 1
1 181 . 15 1 1 A 22 22 ASP H H 22 8.858 8.975 -0.117 1
1 182 . 15 1 1 A 22 22 ASP HA H 22 4.318 4.298 0.020 1
1 185 . 15 1 1 A 22 22 ASP C C 22 176.746 178.363 -1.617 1
1 186 . 15 1 1 A 22 22 ASP CA C 22 57.752 56.830 0.922 1
1 187 . 15 1 1 A 22 22 ASP CB C 22 40.859 39.814 1.045 1
1 188 . 15 1 1 A 22 22 ASP N N 22 120.173 122.992 -2.819 1
1 189 . 15 1 1 A 23 23 SER H H 23 7.860 8.219 -0.359 1
1 190 . 15 1 1 A 23 23 SER HA H 23 4.648 4.265 0.383 1
1 193 . 15 1 1 A 23 23 SER C C 23 175.526 175.584 -0.058 1
1 194 . 15 1 1 A 23 23 SER CA C 23 58.597 61.748 -3.151 1
1 195 . 15 1 1 A 23 23 SER CB C 23 62.993 63.172 -0.179 1
1 196 . 15 1 1 A 23 23 SER N N 23 110.013 116.512 -6.499 1
1 197 . 15 1 1 A 24 24 GLU H H 24 7.579 7.890 -0.311 1
1 198 . 15 1 1 A 24 24 GLU HA H 24 5.574 4.687 0.887 1
1 203 . 15 1 1 A 24 24 GLU C C 24 174.394 175.584 -1.190 1
1 204 . 15 1 1 A 24 24 GLU CA C 24 55.633 57.249 -1.616 1
1 205 . 15 1 1 A 24 24 GLU CB C 24 32.848 30.944 1.904 1
1 207 . 15 1 1 A 24 24 GLU N N 24 122.542 118.850 3.692 1
1 208 . 15 1 1 A 25 25 ILE H H 25 7.894 8.919 -1.025 1
1 209 . 15 1 1 A 25 25 ILE HA H 25 4.661 4.928 -0.267 1
1 219 . 15 1 1 A 25 25 ILE C C 25 171.519 173.765 -2.246 1
1 220 . 15 1 1 A 25 25 ILE CA C 25 58.838 59.501 -0.663 1
1 221 . 15 1 1 A 25 25 ILE CB C 25 42.673 42.168 0.505 1
1 225 . 15 1 1 A 25 25 ILE N N 25 117.944 123.438 -5.494 1
1 226 . 15 1 1 A 26 26 SER H H 26 7.535 9.073 -1.538 1
1 227 . 15 1 1 A 26 26 SER HA H 26 4.885 5.438 -0.553 1
1 230 . 15 1 1 A 26 26 SER C C 26 174.052 173.981 0.071 1
1 231 . 15 1 1 A 26 26 SER CA C 26 56.515 57.214 -0.699 1
1 232 . 15 1 1 A 26 26 SER CB C 26 65.131 64.939 0.192 1
1 233 . 15 1 1 A 26 26 SER N N 26 116.426 123.665 -7.239 1
1 234 . 15 1 1 A 27 27 PHE H H 27 8.271 8.389 -0.118 1
1 235 . 15 1 1 A 27 27 PHE HA H 27 4.934 5.206 -0.272 1
1 243 . 15 1 1 A 27 27 PHE C C 27 173.278 173.134 0.144 1
1 244 . 15 1 1 A 27 27 PHE CA C 27 53.758 54.909 -1.151 1
1 245 . 15 1 1 A 27 27 PHE CB C 27 37.379 41.877 -4.498 1
1 251 . 15 1 1 A 27 27 PHE N N 27 116.221 118.684 -2.463 1
1 252 . 15 1 1 A 28 28 PRO HA H 28 4.872 4.654 0.218 1
1 259 . 15 1 1 A 28 28 PRO C C 28 176.165 175.579 0.586 1
1 260 . 15 1 1 A 28 28 PRO CA C 28 61.019 62.478 -1.459 1
1 261 . 15 1 1 A 28 28 PRO CB C 28 32.410 33.127 -0.717 1
1 264 . 15 1 1 A 29 29 ALA H H 29 8.513 8.441 0.072 1
1 265 . 15 1 1 A 29 29 ALA HA H 29 3.822 4.752 -0.930 1
1 269 . 15 1 1 A 29 29 ALA C C 29 178.074 177.784 0.290 1
1 270 . 15 1 1 A 29 29 ALA CA C 29 52.670 51.554 1.116 1
1 271 . 15 1 1 A 29 29 ALA CB C 29 19.721 19.574 0.147 1
1 272 . 15 1 1 A 29 29 ALA N N 29 120.286 123.932 -3.646 1
1 273 . 15 1 1 A 30 30 GLY H H 30 8.022 8.396 -0.374 1
1 274 . 15 1 1 A 30 30 GLY HA2 H 30 3.956 4.110 -0.154 1
1 275 . 15 1 1 A 30 30 GLY HA3 H 30 3.733 4.112 -0.379 1
1 276 . 15 1 1 A 30 30 GLY C C 30 174.944 173.725 1.219 1
1 277 . 15 1 1 A 30 30 GLY CA C 30 46.739 45.062 1.677 1
1 278 . 15 1 1 A 30 30 GLY N N 30 110.746 111.093 -0.347 1
1 279 . 15 1 1 A 31 31 VAL H H 31 7.736 7.363 0.373 1
1 280 . 15 1 1 A 31 31 VAL HA H 31 4.753 4.891 -0.138 1
1 288 . 15 1 1 A 31 31 VAL C C 31 173.642 173.928 -0.286 1
1 289 . 15 1 1 A 31 31 VAL CA C 31 58.809 59.074 -0.265 1
1 290 . 15 1 1 A 31 31 VAL CB C 31 34.719 35.517 -0.798 1
1 293 . 15 1 1 A 31 31 VAL N N 31 112.109 115.188 -3.079 1
1 294 . 15 1 1 A 32 32 GLU H H 32 8.264 8.824 -0.560 1
1 295 . 15 1 1 A 32 32 GLU HA H 32 5.090 5.048 0.042 1
1 300 . 15 1 1 A 32 32 GLU C C 32 176.725 176.064 0.661 1
1 301 . 15 1 1 A 32 32 GLU CA C 32 55.713 55.371 0.342 1
1 302 . 15 1 1 A 32 32 GLU CB C 32 31.615 31.333 0.282 1
1 304 . 15 1 1 A 32 32 GLU N N 32 121.304 122.741 -1.437 1
1 305 . 15 1 1 A 33 33 VAL H H 33 9.136 8.998 0.138 1
1 306 . 15 1 1 A 33 33 VAL HA H 33 5.001 4.824 0.177 1
1 314 . 15 1 1 A 33 33 VAL C C 33 174.395 174.442 -0.047 1
1 315 . 15 1 1 A 33 33 VAL CA C 33 58.765 58.900 -0.135 1
1 316 . 15 1 1 A 33 33 VAL CB C 33 34.596 35.736 -1.140 1
1 319 . 15 1 1 A 33 33 VAL N N 33 117.728 119.254 -1.526 1
1 320 . 15 1 1 A 34 34 GLN H H 34 8.551 8.104 0.447 1
1 321 . 15 1 1 A 34 34 GLN HA H 34 5.052 5.111 -0.059 1
1 328 . 15 1 1 A 34 34 GLN C C 34 175.752 174.789 0.963 1
1 329 . 15 1 1 A 34 34 GLN CA C 34 54.328 54.666 -0.338 1
1 330 . 15 1 1 A 34 34 GLN CB C 34 30.760 30.963 -0.203 1
1 332 . 15 1 1 A 34 34 GLN N N 34 119.032 121.190 -2.158 1
1 334 . 15 1 1 A 35 35 VAL H H 35 9.180 8.634 0.546 1
1 335 . 15 1 1 A 35 35 VAL HA H 35 4.144 4.307 -0.163 1
1 343 . 15 1 1 A 35 35 VAL C C 35 175.602 175.687 -0.085 1
1 344 . 15 1 1 A 35 35 VAL CA C 35 63.035 61.721 1.314 1
1 345 . 15 1 1 A 35 35 VAL CB C 35 32.056 33.110 -1.054 1
1 348 . 15 1 1 A 35 35 VAL N N 35 124.135 121.947 2.188 1
1 349 . 15 1 1 A 36 36 LEU H H 36 9.175 8.706 0.469 1
1 350 . 15 1 1 A 36 36 LEU HA H 36 4.429 4.220 0.209 1
1 360 . 15 1 1 A 36 36 LEU C C 36 177.299 176.490 0.809 1
1 361 . 15 1 1 A 36 36 LEU CA C 36 55.785 56.868 -1.083 1
1 362 . 15 1 1 A 36 36 LEU CB C 36 42.924 42.661 0.263 1
1 366 . 15 1 1 A 36 36 LEU N N 36 129.320 129.172 0.148 1
1 367 . 15 1 1 A 37 37 GLU H H 37 7.569 7.866 -0.297 1
1 368 . 15 1 1 A 37 37 GLU HA H 37 4.414 4.854 -0.440 1
1 373 . 15 1 1 A 37 37 GLU C C 37 174.132 174.523 -0.391 1
1 374 . 15 1 1 A 37 37 GLU CA C 37 56.244 54.865 1.379 1
1 375 . 15 1 1 A 37 37 GLU CB C 37 33.236 33.246 -0.010 1
1 377 . 15 1 1 A 37 37 GLU N N 37 116.925 116.073 0.852 1
1 378 . 15 1 1 A 38 38 LYS H H 38 8.693 8.718 -0.025 1
1 379 . 15 1 1 A 38 38 LYS HA H 38 4.181 5.157 -0.976 1
1 388 . 15 1 1 A 38 38 LYS C C 38 175.877 175.424 0.453 1
1 389 . 15 1 1 A 38 38 LYS CA C 38 55.579 54.260 1.319 1
1 390 . 15 1 1 A 38 38 LYS CB C 38 34.965 34.816 0.149 1
1 394 . 15 1 1 A 38 38 LYS N N 38 124.828 124.932 -0.104 1
1 395 . 15 1 1 A 39 39 GLN H H 39 7.682 9.065 -1.383 1
1 396 . 15 1 1 A 39 39 GLN HA H 39 4.896 4.650 0.246 1
1 403 . 15 1 1 A 39 39 GLN C C 39 177.964 177.406 0.558 1
1 404 . 15 1 1 A 39 39 GLN CA C 39 55.324 55.445 -0.121 1
1 405 . 15 1 1 A 39 39 GLN CB C 39 31.670 30.203 1.467 1
1 407 . 15 1 1 A 39 39 GLN N N 39 119.391 123.285 -3.894 1
1 409 . 15 1 1 A 40 40 GLU HA H 40 4.308 4.079 0.229 1
1 414 . 15 1 1 A 40 40 GLU C C 40 176.777 178.676 -1.899 1
1 415 . 15 1 1 A 40 40 GLU CA C 40 58.541 59.954 -1.413 1
1 416 . 15 1 1 A 40 40 GLU CB C 40 29.363 29.279 0.084 1
1 418 . 15 1 1 A 41 41 SER H H 41 7.986 8.257 -0.271 1
1 419 . 15 1 1 A 41 41 SER HA H 41 4.413 4.238 0.175 1
1 422 . 15 1 1 A 41 41 SER C C 41 175.434 174.933 0.501 1
1 423 . 15 1 1 A 41 41 SER CA C 41 58.707 62.157 -3.450 1
1 424 . 15 1 1 A 41 41 SER CB C 41 63.871 63.309 0.562 1
1 425 . 15 1 1 A 41 41 SER N N 41 113.216 117.449 -4.233 1
1 426 . 15 1 1 A 42 42 GLY H H 42 8.135 7.787 0.348 1
1 427 . 15 1 1 A 42 42 GLY HA2 H 42 4.347 3.906 0.441 1
1 428 . 15 1 1 A 42 42 GLY HA3 H 42 3.625 3.931 -0.306 1
1 429 . 15 1 1 A 42 42 GLY C C 42 173.338 174.620 -1.282 1
1 430 . 15 1 1 A 42 42 GLY CA C 42 44.998 45.398 -0.400 1
1 431 . 15 1 1 A 42 42 GLY N N 42 108.513 106.432 2.081 1
1 432 . 15 1 1 A 43 43 TRP H H 43 7.820 7.868 -0.048 1
1 433 . 15 1 1 A 43 43 TRP HA H 43 4.942 4.586 0.356 1
1 442 . 15 1 1 A 43 43 TRP C C 43 174.648 176.634 -1.986 1
1 443 . 15 1 1 A 43 43 TRP CA C 43 57.245 58.260 -1.015 1
1 444 . 15 1 1 A 43 43 TRP CB C 43 30.102 29.856 0.246 1
1 450 . 15 1 1 A 43 43 TRP N N 43 122.320 120.326 1.994 1
1 452 . 15 1 1 A 44 44 TRP H H 44 9.769 9.110 0.659 1
1 453 . 15 1 1 A 44 44 TRP HA H 44 5.875 5.439 0.436 1
1 462 . 15 1 1 A 44 44 TRP C C 44 173.703 175.006 -1.303 1
1 463 . 15 1 1 A 44 44 TRP CA C 44 53.298 54.841 -1.543 1
1 464 . 15 1 1 A 44 44 TRP CB C 44 32.961 32.227 0.734 1
1 470 . 15 1 1 A 44 44 TRP N N 44 125.138 123.966 1.172 1
1 472 . 15 1 1 A 45 45 TYR H H 45 9.168 9.163 0.005 1
1 473 . 15 1 1 A 45 45 TYR HA H 45 4.173 4.154 0.019 1
1 480 . 15 1 1 A 45 45 TYR C C 45 175.086 174.620 0.466 1
1 481 . 15 1 1 A 45 45 TYR CA C 45 58.044 56.487 1.557 1
1 482 . 15 1 1 A 45 45 TYR CB C 45 38.792 38.169 0.623 1
1 487 . 15 1 1 A 45 45 TYR N N 45 127.429 125.832 1.597 1
1 488 . 15 1 1 A 46 46 VAL H H 46 8.689 8.649 0.040 1
1 489 . 15 1 1 A 46 46 VAL HA H 46 5.142 5.220 -0.078 1
1 497 . 15 1 1 A 46 46 VAL C C 46 172.384 173.759 -1.375 1
1 498 . 15 1 1 A 46 46 VAL CA C 46 59.010 59.479 -0.469 1
1 499 . 15 1 1 A 46 46 VAL CB C 46 35.502 33.783 1.719 1
1 502 . 15 1 1 A 46 46 VAL N N 46 124.245 122.049 2.196 1
1 503 . 15 1 1 A 47 47 ARG H H 47 9.049 8.207 0.842 1
1 504 . 15 1 1 A 47 47 ARG HA H 47 5.163 4.899 0.264 1
1 512 . 15 1 1 A 47 47 ARG C C 47 175.057 173.928 1.129 1
1 513 . 15 1 1 A 47 47 ARG CA C 47 54.158 54.469 -0.311 1
1 514 . 15 1 1 A 47 47 ARG CB C 47 34.146 33.846 0.300 1
1 517 . 15 1 1 A 47 47 ARG N N 47 120.700 121.154 -0.454 1
1 519 . 15 1 1 A 48 48 PHE H H 48 9.042 9.056 -0.014 1
1 520 . 15 1 1 A 48 48 PHE HA H 48 5.296 4.749 0.547 1
1 528 . 15 1 1 A 48 48 PHE C C 48 175.133 175.633 -0.500 1
1 529 . 15 1 1 A 48 48 PHE CA C 48 54.446 57.251 -2.805 1
1 530 . 15 1 1 A 48 48 PHE CB C 48 40.369 40.995 -0.626 1
1 536 . 15 1 1 A 48 48 PHE N N 48 128.029 128.011 0.018 1
1 537 . 15 1 1 A 49 49 GLY H H 49 9.103 8.804 0.299 1
1 538 . 15 1 1 A 49 49 GLY HA2 H 49 3.644 3.568 0.076 1
1 539 . 15 1 1 A 49 49 GLY HA3 H 49 3.503 3.683 -0.180 1
1 540 . 15 1 1 A 49 49 GLY C C 49 174.287 174.613 -0.326 1
1 541 . 15 1 1 A 49 49 GLY CA C 49 47.008 47.117 -0.109 1
1 542 . 15 1 1 A 49 49 GLY N N 49 118.890 116.028 2.862 1
1 543 . 15 1 1 A 50 50 GLU H H 50 8.920 8.563 0.357 1
1 544 . 15 1 1 A 50 50 GLU HA H 50 4.333 4.407 -0.074 1
1 549 . 15 1 1 A 50 50 GLU C C 50 176.000 175.901 0.099 1
1 550 . 15 1 1 A 50 50 GLU CA C 50 56.080 56.110 -0.030 1
1 551 . 15 1 1 A 50 50 GLU CB C 50 30.022 30.099 -0.077 1
1 553 . 15 1 1 A 50 50 GLU N N 50 125.280 125.013 0.267 1
1 554 . 15 1 1 A 51 51 LEU H H 51 7.792 7.369 0.423 1
1 555 . 15 1 1 A 51 51 LEU HA H 51 4.635 4.780 -0.145 1
1 565 . 15 1 1 A 51 51 LEU C C 51 175.050 175.822 -0.772 1
1 566 . 15 1 1 A 51 51 LEU CA C 51 54.074 53.087 0.987 1
1 567 . 15 1 1 A 51 51 LEU CB C 51 44.171 45.449 -1.278 1
1 571 . 15 1 1 A 51 51 LEU N N 51 121.706 122.153 -0.447 1
1 572 . 15 1 1 A 52 52 GLU H H 52 8.165 8.774 -0.609 1
1 573 . 15 1 1 A 52 52 GLU HA H 52 5.476 5.129 0.347 1
1 578 . 15 1 1 A 52 52 GLU C C 52 176.062 175.345 0.717 1
1 579 . 15 1 1 A 52 52 GLU CA C 52 53.810 54.749 -0.939 1
1 580 . 15 1 1 A 52 52 GLU CB C 52 33.486 32.681 0.805 1
1 582 . 15 1 1 A 52 52 GLU N N 52 116.700 119.531 -2.831 1
1 583 . 15 1 1 A 53 53 GLY H H 53 8.091 8.419 -0.328 1
1 584 . 15 1 1 A 53 53 GLY HA2 H 53 3.882 4.465 -0.583 1
1 585 . 15 1 1 A 53 53 GLY HA3 H 53 3.730 4.555 -0.825 1
1 586 . 15 1 1 A 53 53 GLY C C 53 170.279 171.683 -1.404 1
1 587 . 15 1 1 A 53 53 GLY CA C 53 45.344 44.532 0.812 1
1 588 . 15 1 1 A 53 53 GLY N N 53 106.613 110.751 -4.138 1
1 589 . 15 1 1 A 54 54 TRP H H 54 8.595 8.920 -0.325 1
1 590 . 15 1 1 A 54 54 TRP HA H 54 5.348 5.498 -0.150 1
1 599 . 15 1 1 A 54 54 TRP C C 54 175.873 176.107 -0.234 1
1 600 . 15 1 1 A 54 54 TRP CA C 54 57.602 56.804 0.798 1
1 601 . 15 1 1 A 54 54 TRP CB C 54 31.176 29.994 1.182 1
1 607 . 15 1 1 A 54 54 TRP N N 54 120.550 120.651 -0.101 1
1 609 . 15 1 1 A 55 55 ALA H H 55 9.993 9.178 0.815 1
1 610 . 15 1 1 A 55 55 ALA HA H 55 4.978 4.479 0.499 1
1 614 . 15 1 1 A 55 55 ALA C C 55 173.642 174.872 -1.230 1
1 615 . 15 1 1 A 55 55 ALA CA C 55 49.335 49.233 0.102 1
1 616 . 15 1 1 A 55 55 ALA CB C 55 22.101 21.121 0.980 1
1 617 . 15 1 1 A 55 55 ALA N N 55 122.386 128.095 -5.709 1
1 618 . 15 1 1 A 56 56 PRO HA H 56 3.586 4.076 -0.490 1
1 625 . 15 1 1 A 56 56 PRO C C 56 178.765 176.822 1.943 1
1 626 . 15 1 1 A 56 56 PRO CA C 56 61.218 62.322 -1.104 1
1 627 . 15 1 1 A 56 56 PRO CB C 56 30.430 32.538 -2.108 1
1 630 . 15 1 1 A 57 57 SER H H 57 8.187 7.719 0.468 1
1 631 . 15 1 1 A 57 57 SER HA H 57 2.721 3.364 -0.643 1
1 634 . 15 1 1 A 57 57 SER C C 57 175.094 176.019 -0.925 1
1 635 . 15 1 1 A 57 57 SER CA C 57 60.865 60.234 0.631 1
1 636 . 15 1 1 A 57 57 SER CB C 57 60.645 61.574 -0.929 1
1 637 . 15 1 1 A 57 57 SER N N 57 120.088 118.291 1.797 1
1 638 . 15 1 1 A 58 58 HIS H H 58 7.482 7.155 0.327 1
1 639 . 15 1 1 A 58 58 HIS HA H 58 4.433 4.142 0.291 1
1 644 . 15 1 1 A 58 58 HIS C C 58 175.763 177.465 -1.702 1
1 645 . 15 1 1 A 58 58 HIS CA C 58 56.938 58.390 -1.452 1
1 646 . 15 1 1 A 58 58 HIS CB C 58 28.597 29.905 -1.308 1
1 649 . 15 1 1 A 58 58 HIS N N 58 115.490 118.855 -3.365 1
1 650 . 15 1 1 A 59 59 TYR H H 59 7.251 8.078 -0.827 1
1 651 . 15 1 1 A 59 59 TYR HA H 59 4.366 4.277 0.089 1
1 658 . 15 1 1 A 59 59 TYR C C 59 173.874 176.308 -2.434 1
1 659 . 15 1 1 A 59 59 TYR CA C 59 58.862 60.514 -1.652 1
1 660 . 15 1 1 A 59 59 TYR CB C 59 36.586 39.372 -2.786 1
1 665 . 15 1 1 A 59 59 TYR N N 59 120.460 116.517 3.943 1
1 666 . 15 1 1 A 60 60 LEU H H 60 7.574 7.027 0.547 1
1 667 . 15 1 1 A 60 60 LEU HA H 60 4.964 4.244 0.720 1
1 677 . 15 1 1 A 60 60 LEU C C 60 175.663 176.755 -1.092 1
1 678 . 15 1 1 A 60 60 LEU CA C 60 53.709 55.338 -1.629 1
1 679 . 15 1 1 A 60 60 LEU CB C 60 42.879 42.437 0.442 1
1 683 . 15 1 1 A 60 60 LEU N N 60 121.690 119.706 1.984 1
1 684 . 15 1 1 A 61 61 VAL H H 61 9.082 8.827 0.255 1
1 685 . 15 1 1 A 61 61 VAL HA H 61 4.309 5.011 -0.702 1
1 693 . 15 1 1 A 61 61 VAL C C 61 174.803 175.206 -0.403 1
1 694 . 15 1 1 A 61 61 VAL CA C 61 61.381 60.915 0.466 1
1 695 . 15 1 1 A 61 61 VAL CB C 61 33.607 33.609 -0.002 1
1 698 . 15 1 1 A 61 61 VAL N N 61 119.010 121.271 -2.261 1
1 699 . 15 1 1 A 62 62 LEU H H 62 8.307 8.968 -0.661 1
1 700 . 15 1 1 A 62 62 LEU HA H 62 4.288 5.090 -0.802 1
1 710 . 15 1 1 A 62 62 LEU C C 62 176.976 175.925 1.051 1
1 711 . 15 1 1 A 62 62 LEU CA C 62 54.807 53.324 1.483 1
1 712 . 15 1 1 A 62 62 LEU CB C 62 42.932 45.098 -2.166 1
1 716 . 15 1 1 A 62 62 LEU N N 62 127.895 125.228 2.667 1
1 717 . 15 1 1 A 63 63 ASP H H 63 8.475 8.877 -0.402 1
1 718 . 15 1 1 A 63 63 ASP HA H 63 4.595 5.097 -0.502 1
1 721 . 15 1 1 A 63 63 ASP C C 63 176.269 175.473 0.796 1
1 722 . 15 1 1 A 63 63 ASP CA C 63 53.903 53.509 0.394 1
1 723 . 15 1 1 A 63 63 ASP CB C 63 41.618 41.401 0.217 1
1 724 . 15 1 1 A 63 63 ASP N N 63 122.904 122.143 0.761 1
1 725 . 15 1 1 A 64 64 GLU H H 64 8.528 7.840 0.688 1
1 726 . 15 1 1 A 64 64 GLU HA H 64 4.220 3.939 0.281 1
1 731 . 15 1 1 A 64 64 GLU C C 64 176.504 177.348 -0.844 1
1 732 . 15 1 1 A 64 64 GLU CA C 64 57.043 58.519 -1.476 1
1 733 . 15 1 1 A 64 64 GLU CB C 64 30.214 29.372 0.842 1
1 735 . 15 1 1 A 64 64 GLU N N 64 122.471 121.998 0.473 1
1 736 . 15 1 1 A 65 65 ASN H H 65 8.523 9.047 -0.524 1
1 737 . 15 1 1 A 65 65 ASN HA H 65 4.661 4.314 0.347 1
1 742 . 15 1 1 A 65 65 ASN C C 65 175.223 174.235 0.988 1
1 743 . 15 1 1 A 65 65 ASN CA C 65 53.674 54.217 -0.543 1
1 744 . 15 1 1 A 65 65 ASN CB C 65 39.088 37.610 1.478 1
1 745 . 15 1 1 A 65 65 ASN N N 65 118.895 124.580 -5.685 1
1 747 . 15 1 1 A 66 66 GLU H H 66 8.222 7.710 0.512 1
1 748 . 15 1 1 A 66 66 GLU HA H 66 4.293 4.871 -0.578 1
1 753 . 15 1 1 A 66 66 GLU C C 66 176.054 175.471 0.583 1
1 754 . 15 1 1 A 66 66 GLU CA C 66 56.432 54.394 2.038 1
1 755 . 15 1 1 A 66 66 GLU CB C 66 30.476 33.001 -2.525 1
1 757 . 15 1 1 A 66 66 GLU N N 66 120.919 118.331 2.588 1
1 758 . 15 1 1 A 67 67 GLN H H 67 8.293 8.438 -0.145 1
1 759 . 15 1 1 A 67 67 GLN HA H 67 4.582 4.247 0.335 1
1 766 . 15 1 1 A 67 67 GLN C C 67 173.836 174.674 -0.838 1
1 767 . 15 1 1 A 67 67 GLN CA C 67 53.593 54.051 -0.458 1
1 768 . 15 1 1 A 67 67 GLN CB C 67 28.949 29.347 -0.398 1
1 770 . 15 1 1 A 67 67 GLN N N 67 122.295 125.916 -3.621 1
1 772 . 15 1 1 A 68 68 PRO HA H 68 4.401 4.589 -0.188 1
1 779 . 15 1 1 A 68 68 PRO CA C 68 62.882 62.476 0.406 1
1 780 . 15 1 1 A 68 68 PRO CB C 68 32.175 32.659 -0.484 1
1 783 . 15 1 1 A 69 69 ASP H H 69 8.502 8.267 0.235 1
1 784 . 15 1 1 A 69 69 ASP HA H 69 4.836 5.215 -0.379 1
1 787 . 15 1 1 A 69 69 ASP CA C 69 51.945 50.887 1.058 1
1 788 . 15 1 1 A 69 69 ASP CB C 69 41.305 42.780 -1.475 1
1 789 . 15 1 1 A 69 69 ASP N N 69 121.937 119.919 2.018 1
1 790 . 15 1 1 A 70 70 PRO HA H 70 4.437 4.675 -0.238 1
1 797 . 15 1 1 A 70 70 PRO C C 70 177.484 176.518 0.966 1
1 798 . 15 1 1 A 70 70 PRO CA C 70 63.777 62.842 0.935 1
1 799 . 15 1 1 A 70 70 PRO CB C 70 32.027 31.797 0.230 1
1 802 . 15 1 1 A 71 71 SER H H 71 8.506 8.684 -0.178 1
1 803 . 15 1 1 A 71 71 SER HA H 71 4.364 4.726 -0.362 1
1 806 . 15 1 1 A 71 71 SER C C 71 175.439 174.681 0.758 1
1 807 . 15 1 1 A 71 71 SER CA C 71 59.261 57.705 1.556 1
1 808 . 15 1 1 A 71 71 SER CB C 71 63.771 64.482 -0.711 1
1 809 . 15 1 1 A 71 71 SER N N 71 115.901 118.074 -2.173 1
1 810 . 15 1 1 A 72 72 GLY H H 72 8.258 8.329 -0.071 1
1 811 . 15 1 1 A 72 72 GLY HA2 H 72 3.958 4.050 -0.092 1
1 812 . 15 1 1 A 72 72 GLY HA3 H 72 3.958 4.051 -0.093 1
1 813 . 15 1 1 A 72 72 GLY C C 72 174.314 173.602 0.712 1
1 814 . 15 1 1 A 72 72 GLY CA C 72 45.469 44.736 0.733 1
1 815 . 15 1 1 A 72 72 GLY N N 72 110.595 112.231 -1.636 1
1 816 . 15 1 1 A 73 73 LYS H H 73 8.052 7.882 0.170 1
1 817 . 15 1 1 A 73 73 LYS HA H 73 4.305 4.776 -0.471 1
1 826 . 15 1 1 A 73 73 LYS C C 73 176.792 174.325 2.467 1
1 827 . 15 1 1 A 73 73 LYS CA C 73 56.420 55.633 0.787 1
1 828 . 15 1 1 A 73 73 LYS CB C 73 33.082 36.395 -3.313 1
1 832 . 15 1 1 A 73 73 LYS N N 73 120.614 122.124 -1.510 1
1 833 . 15 1 1 A 74 74 GLU H H 74 8.559 8.733 -0.174 1
1 834 . 15 1 1 A 74 74 GLU HA H 74 4.305 5.150 -0.845 1
1 839 . 15 1 1 A 74 74 GLU C C 74 176.648 175.160 1.488 1
1 840 . 15 1 1 A 74 74 GLU CA C 74 56.446 54.906 1.540 1
1 841 . 15 1 1 A 74 74 GLU CB C 74 30.215 32.621 -2.406 1
1 843 . 15 1 1 A 74 74 GLU N N 74 122.000 125.087 -3.087 1
1 844 . 15 1 1 A 75 75 SER H H 75 8.364 8.631 -0.267 1
1 845 . 15 1 1 A 75 75 SER HA H 75 4.450 5.144 -0.694 1
1 846 . 15 1 1 A 75 75 SER C C 75 174.540 173.431 1.109 1
1 847 . 15 1 1 A 75 75 SER CA C 75 58.538 57.577 0.961 1
1 848 . 15 1 1 A 75 75 SER CB C 75 63.977 66.350 -2.373 1
1 849 . 15 1 1 A 75 75 SER N N 75 116.992 116.994 -0.002 1
1 850 . 15 1 1 A 76 76 GLY H H 76 8.243 8.753 -0.510 1
1 851 . 15 1 1 A 76 76 GLY HA2 H 76 4.157 4.155 0.002 1
1 852 . 15 1 1 A 76 76 GLY HA3 H 76 4.058 4.156 -0.098 1
1 853 . 15 1 1 A 76 76 GLY CA C 76 44.680 44.020 0.660 1
1 854 . 15 1 1 A 76 76 GLY N N 76 110.704 111.428 -0.724 1
1 855 . 15 1 1 A 77 77 PRO HA H 77 4.463 4.608 -0.145 1
1 862 . 15 1 1 A 77 77 PRO C C 77 177.454 175.147 2.307 1
1 863 . 15 1 1 A 77 77 PRO CA C 77 63.202 62.641 0.561 1
1 864 . 15 1 1 A 77 77 PRO CB C 77 32.276 33.197 -0.921 1
1 867 . 15 1 1 A 78 78 SER H H 78 8.535 8.943 -0.408 1
1 870 . 15 1 1 A 78 78 SER C C 78 174.735 173.646 1.089 1
1 871 . 15 1 1 A 78 78 SER CA C 78 58.373 57.013 1.360 1
1 872 . 15 1 1 A 78 78 SER CB C 78 63.977 66.273 -2.296 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.494 4.534 -0.040 1
1 2 . 16 1 1 A 6 6 SER CA C 6 58.785 58.228 0.557 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.483 63.394 0.089 1
1 4 . 16 1 1 A 7 7 GLY H H 7 8.367 7.860 0.507 1
1 5 . 16 1 1 A 7 7 GLY HA2 H 7 3.955 3.976 -0.021 1
1 6 . 16 1 1 A 7 7 GLY HA3 H 7 3.955 3.978 -0.023 1
1 7 . 16 1 1 A 7 7 GLY C C 7 173.640 174.460 -0.820 1
1 8 . 16 1 1 A 7 7 GLY CA C 7 45.215 46.579 -1.364 1
1 9 . 16 1 1 A 7 7 GLY N N 7 110.787 109.470 1.317 1
1 10 . 16 1 1 A 8 8 ALA H H 8 8.126 8.101 0.025 1
1 11 . 16 1 1 A 8 8 ALA HA H 8 4.458 4.660 -0.202 1
1 15 . 16 1 1 A 8 8 ALA C C 8 177.711 175.952 1.759 1
1 16 . 16 1 1 A 8 8 ALA CA C 8 52.493 51.199 1.294 1
1 17 . 16 1 1 A 8 8 ALA CB C 8 19.761 21.013 -1.252 1
1 18 . 16 1 1 A 8 8 ALA N N 8 123.680 123.331 0.349 1
1 19 . 16 1 1 A 9 9 THR H H 9 8.254 8.634 -0.380 1
1 20 . 16 1 1 A 9 9 THR HA H 9 4.527 5.140 -0.613 1
1 25 . 16 1 1 A 9 9 THR C C 9 174.050 173.909 0.141 1
1 26 . 16 1 1 A 9 9 THR CA C 9 61.874 61.219 0.655 1
1 27 . 16 1 1 A 9 9 THR CB C 9 70.580 70.779 -0.199 1
1 29 . 16 1 1 A 9 9 THR N N 9 113.196 112.758 0.438 1
1 30 . 16 1 1 A 10 10 SER H H 10 8.264 8.918 -0.654 1
1 31 . 16 1 1 A 10 10 SER HA H 10 5.228 5.937 -0.709 1
1 34 . 16 1 1 A 10 10 SER C C 10 173.318 173.454 -0.136 1
1 35 . 16 1 1 A 10 10 SER CA C 10 58.404 56.843 1.561 1
1 36 . 16 1 1 A 10 10 SER CB C 10 64.098 65.197 -1.099 1
1 37 . 16 1 1 A 10 10 SER N N 10 120.509 120.020 0.489 1
1 38 . 16 1 1 A 11 11 TYR H H 11 8.957 9.010 -0.053 1
1 39 . 16 1 1 A 11 11 TYR HA H 11 4.793 5.237 -0.444 1
1 46 . 16 1 1 A 11 11 TYR C C 11 174.111 174.113 -0.002 1
1 47 . 16 1 1 A 11 11 TYR CA C 11 57.097 56.584 0.513 1
1 48 . 16 1 1 A 11 11 TYR CB C 11 43.764 42.814 0.950 1
1 53 . 16 1 1 A 11 11 TYR N N 11 124.069 121.169 2.900 1
1 54 . 16 1 1 A 12 12 MET H H 12 8.985 8.798 0.187 1
1 55 . 16 1 1 A 12 12 MET HA H 12 5.463 5.273 0.190 1
1 63 . 16 1 1 A 12 12 MET C C 12 177.045 175.434 1.611 1
1 64 . 16 1 1 A 12 12 MET CA C 12 52.215 53.854 -1.639 1
1 65 . 16 1 1 A 12 12 MET CB C 12 33.195 35.791 -2.596 1
1 68 . 16 1 1 A 12 12 MET N N 12 118.428 120.737 -2.309 1
1 69 . 16 1 1 A 13 13 THR H H 13 9.132 8.834 0.298 1
1 70 . 16 1 1 A 13 13 THR HA H 13 4.872 4.535 0.337 1
1 75 . 16 1 1 A 13 13 THR C C 13 177.032 174.642 2.390 1
1 76 . 16 1 1 A 13 13 THR CA C 13 60.003 62.039 -2.036 1
1 77 . 16 1 1 A 13 13 THR CB C 13 69.597 69.604 -0.007 1
1 79 . 16 1 1 A 13 13 THR N N 13 113.981 116.412 -2.431 1
1 80 . 16 1 1 A 14 14 CYS H H 14 9.504 9.055 0.449 1
1 81 . 16 1 1 A 14 14 CYS HA H 14 4.806 4.592 0.214 1
1 84 . 16 1 1 A 14 14 CYS C C 14 173.712 174.020 -0.308 1
1 85 . 16 1 1 A 14 14 CYS CA C 14 57.209 59.287 -2.078 1
1 86 . 16 1 1 A 14 14 CYS CB C 14 28.772 28.777 -0.005 1
1 87 . 16 1 1 A 14 14 CYS N N 14 122.485 122.442 0.043 1
1 88 . 16 1 1 A 15 15 SER H H 15 7.796 7.783 0.013 1
1 89 . 16 1 1 A 15 15 SER HA H 15 4.578 4.825 -0.247 1
1 92 . 16 1 1 A 15 15 SER C C 15 171.037 172.713 -1.676 1
1 93 . 16 1 1 A 15 15 SER CA C 15 56.858 57.943 -1.085 1
1 94 . 16 1 1 A 15 15 SER CB C 15 66.124 67.275 -1.151 1
1 95 . 16 1 1 A 15 15 SER N N 15 116.311 114.621 1.690 1
1 96 . 16 1 1 A 16 16 ALA H H 16 8.398 8.464 -0.066 1
1 97 . 16 1 1 A 16 16 ALA HA H 16 4.582 4.984 -0.402 1
1 101 . 16 1 1 A 16 16 ALA C C 16 176.897 176.093 0.804 1
1 102 . 16 1 1 A 16 16 ALA CA C 16 52.085 51.791 0.294 1
1 103 . 16 1 1 A 16 16 ALA CB C 16 19.720 19.257 0.463 1
1 104 . 16 1 1 A 16 16 ALA N N 16 124.071 126.148 -2.077 1
1 105 . 16 1 1 A 17 17 TYR H H 17 8.401 8.318 0.083 1
1 106 . 16 1 1 A 17 17 TYR HA H 17 4.384 5.012 -0.628 1
1 113 . 16 1 1 A 17 17 TYR C C 17 173.836 173.890 -0.054 1
1 114 . 16 1 1 A 17 17 TYR CA C 17 57.801 57.951 -0.150 1
1 115 . 16 1 1 A 17 17 TYR CB C 17 42.166 40.448 1.718 1
1 120 . 16 1 1 A 17 17 TYR N N 17 121.997 126.411 -4.414 1
1 121 . 16 1 1 A 18 18 GLN H H 18 6.844 8.176 -1.332 1
1 122 . 16 1 1 A 18 18 GLN HA H 18 4.318 4.678 -0.360 1
1 129 . 16 1 1 A 18 18 GLN C C 18 172.990 175.186 -2.196 1
1 130 . 16 1 1 A 18 18 GLN CA C 18 52.767 53.580 -0.813 1
1 131 . 16 1 1 A 18 18 GLN CB C 18 29.940 30.928 -0.988 1
1 133 . 16 1 1 A 18 18 GLN N N 18 127.603 126.809 0.794 1
1 135 . 16 1 1 A 19 19 LYS H H 19 8.155 8.373 -0.218 1
1 136 . 16 1 1 A 19 19 LYS HA H 19 4.130 4.793 -0.663 1
1 145 . 16 1 1 A 19 19 LYS C C 19 175.995 176.859 -0.864 1
1 146 . 16 1 1 A 19 19 LYS CA C 19 56.489 55.808 0.681 1
1 147 . 16 1 1 A 19 19 LYS CB C 19 33.369 33.481 -0.112 1
1 151 . 16 1 1 A 19 19 LYS N N 19 123.114 123.552 -0.438 1
1 152 . 16 1 1 A 20 20 VAL H H 20 8.679 8.893 -0.214 1
1 153 . 16 1 1 A 20 20 VAL HA H 20 4.153 4.225 -0.072 1
1 161 . 16 1 1 A 20 20 VAL C C 20 176.493 175.987 0.506 1
1 162 . 16 1 1 A 20 20 VAL CA C 20 62.520 63.013 -0.493 1
1 163 . 16 1 1 A 20 20 VAL CB C 20 32.847 32.588 0.259 1
1 166 . 16 1 1 A 20 20 VAL N N 20 120.106 119.577 0.529 1
1 167 . 16 1 1 A 21 21 GLN H H 21 7.133 8.164 -1.031 1
1 168 . 16 1 1 A 21 21 GLN HA H 21 4.582 4.728 -0.146 1
1 175 . 16 1 1 A 21 21 GLN C C 21 177.019 175.836 1.183 1
1 176 . 16 1 1 A 21 21 GLN CA C 21 54.291 54.052 0.239 1
1 177 . 16 1 1 A 21 21 GLN CB C 21 31.023 32.732 -1.709 1
1 179 . 16 1 1 A 21 21 GLN N N 21 116.079 119.960 -3.881 1
1 181 . 16 1 1 A 22 22 ASP H H 22 8.858 9.029 -0.171 1
1 182 . 16 1 1 A 22 22 ASP HA H 22 4.318 4.303 0.015 1
1 185 . 16 1 1 A 22 22 ASP C C 22 176.746 178.585 -1.839 1
1 186 . 16 1 1 A 22 22 ASP CA C 22 57.752 57.419 0.333 1
1 187 . 16 1 1 A 22 22 ASP CB C 22 40.859 40.255 0.604 1
1 188 . 16 1 1 A 22 22 ASP N N 22 120.173 123.183 -3.010 1
1 189 . 16 1 1 A 23 23 SER H H 23 7.860 8.109 -0.249 1
1 190 . 16 1 1 A 23 23 SER HA H 23 4.648 4.328 0.320 1
1 193 . 16 1 1 A 23 23 SER C C 23 175.526 175.480 0.046 1
1 194 . 16 1 1 A 23 23 SER CA C 23 58.597 61.701 -3.104 1
1 195 . 16 1 1 A 23 23 SER CB C 23 62.993 63.117 -0.124 1
1 196 . 16 1 1 A 23 23 SER N N 23 110.013 115.141 -5.128 1
1 197 . 16 1 1 A 24 24 GLU H H 24 7.579 8.312 -0.733 1
1 198 . 16 1 1 A 24 24 GLU HA H 24 5.574 4.806 0.768 1
1 203 . 16 1 1 A 24 24 GLU C C 24 174.394 175.286 -0.892 1
1 204 . 16 1 1 A 24 24 GLU CA C 24 55.633 56.472 -0.839 1
1 205 . 16 1 1 A 24 24 GLU CB C 24 32.848 30.772 2.076 1
1 207 . 16 1 1 A 24 24 GLU N N 24 122.542 118.573 3.969 1
1 208 . 16 1 1 A 25 25 ILE H H 25 7.894 8.866 -0.972 1
1 209 . 16 1 1 A 25 25 ILE HA H 25 4.661 5.021 -0.360 1
1 219 . 16 1 1 A 25 25 ILE C C 25 171.519 174.344 -2.825 1
1 220 . 16 1 1 A 25 25 ILE CA C 25 58.838 59.386 -0.548 1
1 221 . 16 1 1 A 25 25 ILE CB C 25 42.673 42.118 0.555 1
1 225 . 16 1 1 A 25 25 ILE N N 25 117.944 123.121 -5.177 1
1 226 . 16 1 1 A 26 26 SER H H 26 7.535 9.020 -1.485 1
1 227 . 16 1 1 A 26 26 SER HA H 26 4.885 5.291 -0.406 1
1 230 . 16 1 1 A 26 26 SER C C 26 174.052 173.902 0.150 1
1 231 . 16 1 1 A 26 26 SER CA C 26 56.515 57.217 -0.702 1
1 232 . 16 1 1 A 26 26 SER CB C 26 65.131 64.825 0.306 1
1 233 . 16 1 1 A 26 26 SER N N 26 116.426 124.300 -7.874 1
1 234 . 16 1 1 A 27 27 PHE H H 27 8.271 8.374 -0.103 1
1 235 . 16 1 1 A 27 27 PHE HA H 27 4.934 5.210 -0.276 1
1 243 . 16 1 1 A 27 27 PHE C C 27 173.278 173.151 0.127 1
1 244 . 16 1 1 A 27 27 PHE CA C 27 53.758 54.935 -1.177 1
1 245 . 16 1 1 A 27 27 PHE CB C 27 37.379 42.164 -4.785 1
1 251 . 16 1 1 A 27 27 PHE N N 27 116.221 118.808 -2.587 1
1 252 . 16 1 1 A 28 28 PRO HA H 28 4.872 4.735 0.137 1
1 259 . 16 1 1 A 28 28 PRO C C 28 176.165 175.900 0.265 1
1 260 . 16 1 1 A 28 28 PRO CA C 28 61.019 62.542 -1.523 1
1 261 . 16 1 1 A 28 28 PRO CB C 28 32.410 32.871 -0.461 1
1 264 . 16 1 1 A 29 29 ALA H H 29 8.513 8.393 0.120 1
1 265 . 16 1 1 A 29 29 ALA HA H 29 3.822 4.689 -0.867 1
1 269 . 16 1 1 A 29 29 ALA C C 29 178.074 177.952 0.122 1
1 270 . 16 1 1 A 29 29 ALA CA C 29 52.670 52.599 0.071 1
1 271 . 16 1 1 A 29 29 ALA CB C 29 19.721 19.482 0.239 1
1 272 . 16 1 1 A 29 29 ALA N N 29 120.286 123.997 -3.711 1
1 273 . 16 1 1 A 30 30 GLY H H 30 8.022 8.543 -0.521 1
1 274 . 16 1 1 A 30 30 GLY HA2 H 30 3.956 4.107 -0.151 1
1 275 . 16 1 1 A 30 30 GLY HA3 H 30 3.733 4.114 -0.381 1
1 276 . 16 1 1 A 30 30 GLY C C 30 174.944 173.761 1.183 1
1 277 . 16 1 1 A 30 30 GLY CA C 30 46.739 45.217 1.522 1
1 278 . 16 1 1 A 30 30 GLY N N 30 110.746 111.406 -0.660 1
1 279 . 16 1 1 A 31 31 VAL H H 31 7.736 7.358 0.378 1
1 280 . 16 1 1 A 31 31 VAL HA H 31 4.753 4.881 -0.128 1
1 288 . 16 1 1 A 31 31 VAL C C 31 173.642 173.786 -0.144 1
1 289 . 16 1 1 A 31 31 VAL CA C 31 58.809 59.020 -0.211 1
1 290 . 16 1 1 A 31 31 VAL CB C 31 34.719 36.036 -1.317 1
1 293 . 16 1 1 A 31 31 VAL N N 31 112.109 115.365 -3.256 1
1 294 . 16 1 1 A 32 32 GLU H H 32 8.264 8.652 -0.388 1
1 295 . 16 1 1 A 32 32 GLU HA H 32 5.090 5.298 -0.208 1
1 300 . 16 1 1 A 32 32 GLU C C 32 176.725 175.118 1.607 1
1 301 . 16 1 1 A 32 32 GLU CA C 32 55.713 54.551 1.162 1
1 302 . 16 1 1 A 32 32 GLU CB C 32 31.615 33.288 -1.673 1
1 304 . 16 1 1 A 32 32 GLU N N 32 121.304 121.844 -0.540 1
1 305 . 16 1 1 A 33 33 VAL H H 33 9.136 8.638 0.498 1
1 306 . 16 1 1 A 33 33 VAL HA H 33 5.001 4.696 0.305 1
1 314 . 16 1 1 A 33 33 VAL C C 33 174.395 173.291 1.104 1
1 315 . 16 1 1 A 33 33 VAL CA C 33 58.765 58.688 0.077 1
1 316 . 16 1 1 A 33 33 VAL CB C 33 34.596 35.909 -1.313 1
1 319 . 16 1 1 A 33 33 VAL N N 33 117.728 118.755 -1.027 1
1 320 . 16 1 1 A 34 34 GLN H H 34 8.551 8.374 0.177 1
1 321 . 16 1 1 A 34 34 GLN HA H 34 5.052 4.973 0.079 1
1 328 . 16 1 1 A 34 34 GLN C C 34 175.752 174.524 1.228 1
1 329 . 16 1 1 A 34 34 GLN CA C 34 54.328 54.117 0.211 1
1 330 . 16 1 1 A 34 34 GLN CB C 34 30.760 31.743 -0.983 1
1 332 . 16 1 1 A 34 34 GLN N N 34 119.032 121.443 -2.411 1
1 334 . 16 1 1 A 35 35 VAL H H 35 9.180 8.986 0.194 1
1 335 . 16 1 1 A 35 35 VAL HA H 35 4.144 4.130 0.014 1
1 343 . 16 1 1 A 35 35 VAL C C 35 175.602 175.248 0.354 1
1 344 . 16 1 1 A 35 35 VAL CA C 35 63.035 62.998 0.037 1
1 345 . 16 1 1 A 35 35 VAL CB C 35 32.056 30.765 1.291 1
1 348 . 16 1 1 A 35 35 VAL N N 35 124.135 127.448 -3.313 1
1 349 . 16 1 1 A 36 36 LEU H H 36 9.175 8.784 0.391 1
1 350 . 16 1 1 A 36 36 LEU HA H 36 4.429 4.104 0.325 1
1 360 . 16 1 1 A 36 36 LEU C C 36 177.299 176.578 0.721 1
1 361 . 16 1 1 A 36 36 LEU CA C 36 55.785 57.227 -1.442 1
1 362 . 16 1 1 A 36 36 LEU CB C 36 42.924 42.426 0.498 1
1 366 . 16 1 1 A 36 36 LEU N N 36 129.320 129.650 -0.330 1
1 367 . 16 1 1 A 37 37 GLU H H 37 7.569 7.845 -0.276 1
1 368 . 16 1 1 A 37 37 GLU HA H 37 4.414 4.834 -0.420 1
1 373 . 16 1 1 A 37 37 GLU C C 37 174.132 174.253 -0.121 1
1 374 . 16 1 1 A 37 37 GLU CA C 37 56.244 54.988 1.256 1
1 375 . 16 1 1 A 37 37 GLU CB C 37 33.236 33.494 -0.258 1
1 377 . 16 1 1 A 37 37 GLU N N 37 116.925 115.468 1.457 1
1 378 . 16 1 1 A 38 38 LYS H H 38 8.693 8.601 0.092 1
1 379 . 16 1 1 A 38 38 LYS HA H 38 4.181 5.169 -0.988 1
1 388 . 16 1 1 A 38 38 LYS C C 38 175.877 175.391 0.486 1
1 389 . 16 1 1 A 38 38 LYS CA C 38 55.579 54.687 0.892 1
1 390 . 16 1 1 A 38 38 LYS CB C 38 34.965 35.592 -0.627 1
1 394 . 16 1 1 A 38 38 LYS N N 38 124.828 123.409 1.419 1
1 395 . 16 1 1 A 39 39 GLN H H 39 7.682 8.797 -1.115 1
1 396 . 16 1 1 A 39 39 GLN HA H 39 4.896 4.826 0.070 1
1 403 . 16 1 1 A 39 39 GLN C C 39 177.964 176.695 1.269 1
1 404 . 16 1 1 A 39 39 GLN CA C 39 55.324 55.103 0.221 1
1 405 . 16 1 1 A 39 39 GLN CB C 39 31.670 30.756 0.914 1
1 407 . 16 1 1 A 39 39 GLN N N 39 119.391 122.654 -3.263 1
1 409 . 16 1 1 A 40 40 GLU HA H 40 4.308 4.134 0.174 1
1 414 . 16 1 1 A 40 40 GLU C C 40 176.777 178.352 -1.575 1
1 415 . 16 1 1 A 40 40 GLU CA C 40 58.541 59.330 -0.789 1
1 416 . 16 1 1 A 40 40 GLU CB C 40 29.363 29.104 0.259 1
1 418 . 16 1 1 A 41 41 SER H H 41 7.986 8.288 -0.302 1
1 419 . 16 1 1 A 41 41 SER HA H 41 4.413 4.284 0.129 1
1 422 . 16 1 1 A 41 41 SER C C 41 175.434 174.962 0.472 1
1 423 . 16 1 1 A 41 41 SER CA C 41 58.707 62.151 -3.444 1
1 424 . 16 1 1 A 41 41 SER CB C 41 63.871 63.297 0.574 1
1 425 . 16 1 1 A 41 41 SER N N 41 113.216 116.742 -3.526 1
1 426 . 16 1 1 A 42 42 GLY H H 42 8.135 7.813 0.322 1
1 427 . 16 1 1 A 42 42 GLY HA2 H 42 4.347 4.047 0.300 1
1 428 . 16 1 1 A 42 42 GLY HA3 H 42 3.625 4.091 -0.466 1
1 429 . 16 1 1 A 42 42 GLY C C 42 173.338 174.689 -1.351 1
1 430 . 16 1 1 A 42 42 GLY CA C 42 44.998 45.540 -0.542 1
1 431 . 16 1 1 A 42 42 GLY N N 42 108.513 107.307 1.206 1
1 432 . 16 1 1 A 43 43 TRP H H 43 7.820 8.015 -0.195 1
1 433 . 16 1 1 A 43 43 TRP HA H 43 4.942 4.536 0.406 1
1 442 . 16 1 1 A 43 43 TRP C C 43 174.648 176.659 -2.011 1
1 443 . 16 1 1 A 43 43 TRP CA C 43 57.245 58.076 -0.831 1
1 444 . 16 1 1 A 43 43 TRP CB C 43 30.102 30.218 -0.116 1
1 450 . 16 1 1 A 43 43 TRP N N 43 122.320 120.648 1.672 1
1 452 . 16 1 1 A 44 44 TRP H H 44 9.769 8.993 0.776 1
1 453 . 16 1 1 A 44 44 TRP HA H 44 5.875 5.436 0.439 1
1 462 . 16 1 1 A 44 44 TRP C C 44 173.703 175.034 -1.331 1
1 463 . 16 1 1 A 44 44 TRP CA C 44 53.298 54.781 -1.483 1
1 464 . 16 1 1 A 44 44 TRP CB C 44 32.961 32.404 0.557 1
1 470 . 16 1 1 A 44 44 TRP N N 44 125.138 123.543 1.595 1
1 472 . 16 1 1 A 45 45 TYR H H 45 9.168 8.937 0.231 1
1 473 . 16 1 1 A 45 45 TYR HA H 45 4.173 4.024 0.149 1
1 480 . 16 1 1 A 45 45 TYR C C 45 175.086 174.796 0.290 1
1 481 . 16 1 1 A 45 45 TYR CA C 45 58.044 56.806 1.238 1
1 482 . 16 1 1 A 45 45 TYR CB C 45 38.792 37.617 1.175 1
1 487 . 16 1 1 A 45 45 TYR N N 45 127.429 125.864 1.565 1
1 488 . 16 1 1 A 46 46 VAL H H 46 8.689 8.903 -0.214 1
1 489 . 16 1 1 A 46 46 VAL HA H 46 5.142 5.077 0.065 1
1 497 . 16 1 1 A 46 46 VAL C C 46 172.384 173.668 -1.284 1
1 498 . 16 1 1 A 46 46 VAL CA C 46 59.010 59.566 -0.556 1
1 499 . 16 1 1 A 46 46 VAL CB C 46 35.502 33.960 1.542 1
1 502 . 16 1 1 A 46 46 VAL N N 46 124.245 122.084 2.161 1
1 503 . 16 1 1 A 47 47 ARG H H 47 9.049 8.326 0.723 1
1 504 . 16 1 1 A 47 47 ARG HA H 47 5.163 4.999 0.164 1
1 512 . 16 1 1 A 47 47 ARG C C 47 175.057 173.840 1.217 1
1 513 . 16 1 1 A 47 47 ARG CA C 47 54.158 54.311 -0.153 1
1 514 . 16 1 1 A 47 47 ARG CB C 47 34.146 33.338 0.808 1
1 517 . 16 1 1 A 47 47 ARG N N 47 120.700 121.520 -0.820 1
1 519 . 16 1 1 A 48 48 PHE H H 48 9.042 8.930 0.112 1
1 520 . 16 1 1 A 48 48 PHE HA H 48 5.296 4.767 0.529 1
1 528 . 16 1 1 A 48 48 PHE C C 48 175.133 175.619 -0.486 1
1 529 . 16 1 1 A 48 48 PHE CA C 48 54.446 57.177 -2.731 1
1 530 . 16 1 1 A 48 48 PHE CB C 48 40.369 40.743 -0.374 1
1 536 . 16 1 1 A 48 48 PHE N N 48 128.029 128.168 -0.139 1
1 537 . 16 1 1 A 49 49 GLY H H 49 9.103 8.784 0.319 1
1 538 . 16 1 1 A 49 49 GLY HA2 H 49 3.644 3.802 -0.158 1
1 539 . 16 1 1 A 49 49 GLY HA3 H 49 3.503 3.897 -0.394 1
1 540 . 16 1 1 A 49 49 GLY C C 49 174.287 175.182 -0.895 1
1 541 . 16 1 1 A 49 49 GLY CA C 49 47.008 47.298 -0.290 1
1 542 . 16 1 1 A 49 49 GLY N N 49 118.890 115.945 2.945 1
1 543 . 16 1 1 A 50 50 GLU H H 50 8.920 8.904 0.016 1
1 544 . 16 1 1 A 50 50 GLU HA H 50 4.333 4.399 -0.066 1
1 549 . 16 1 1 A 50 50 GLU C C 50 176.000 176.240 -0.240 1
1 550 . 16 1 1 A 50 50 GLU CA C 50 56.080 57.166 -1.086 1
1 551 . 16 1 1 A 50 50 GLU CB C 50 30.022 30.376 -0.354 1
1 553 . 16 1 1 A 50 50 GLU N N 50 125.280 126.543 -1.263 1
1 554 . 16 1 1 A 51 51 LEU H H 51 7.792 7.609 0.183 1
1 555 . 16 1 1 A 51 51 LEU HA H 51 4.635 4.792 -0.157 1
1 565 . 16 1 1 A 51 51 LEU C C 51 175.050 175.687 -0.637 1
1 566 . 16 1 1 A 51 51 LEU CA C 51 54.074 53.136 0.938 1
1 567 . 16 1 1 A 51 51 LEU CB C 51 44.171 45.262 -1.091 1
1 571 . 16 1 1 A 51 51 LEU N N 51 121.706 122.256 -0.550 1
1 572 . 16 1 1 A 52 52 GLU H H 52 8.165 8.658 -0.493 1
1 573 . 16 1 1 A 52 52 GLU HA H 52 5.476 5.080 0.396 1
1 578 . 16 1 1 A 52 52 GLU C C 52 176.062 175.358 0.704 1
1 579 . 16 1 1 A 52 52 GLU CA C 52 53.810 55.078 -1.268 1
1 580 . 16 1 1 A 52 52 GLU CB C 52 33.486 33.097 0.389 1
1 582 . 16 1 1 A 52 52 GLU N N 52 116.700 118.978 -2.278 1
1 583 . 16 1 1 A 53 53 GLY H H 53 8.091 8.546 -0.455 1
1 584 . 16 1 1 A 53 53 GLY HA2 H 53 3.882 4.517 -0.635 1
1 585 . 16 1 1 A 53 53 GLY HA3 H 53 3.730 4.621 -0.891 1
1 586 . 16 1 1 A 53 53 GLY C C 53 170.279 171.659 -1.380 1
1 587 . 16 1 1 A 53 53 GLY CA C 53 45.344 44.702 0.642 1
1 588 . 16 1 1 A 53 53 GLY N N 53 106.613 110.688 -4.075 1
1 589 . 16 1 1 A 54 54 TRP H H 54 8.595 8.858 -0.263 1
1 590 . 16 1 1 A 54 54 TRP HA H 54 5.348 5.549 -0.201 1
1 599 . 16 1 1 A 54 54 TRP C C 54 175.873 176.171 -0.298 1
1 600 . 16 1 1 A 54 54 TRP CA C 54 57.602 56.852 0.750 1
1 601 . 16 1 1 A 54 54 TRP CB C 54 31.176 30.420 0.756 1
1 607 . 16 1 1 A 54 54 TRP N N 54 120.550 120.629 -0.079 1
1 609 . 16 1 1 A 55 55 ALA H H 55 9.993 9.170 0.823 1
1 610 . 16 1 1 A 55 55 ALA HA H 55 4.978 4.402 0.576 1
1 614 . 16 1 1 A 55 55 ALA C C 55 173.642 174.647 -1.005 1
1 615 . 16 1 1 A 55 55 ALA CA C 55 49.335 49.060 0.275 1
1 616 . 16 1 1 A 55 55 ALA CB C 55 22.101 21.371 0.730 1
1 617 . 16 1 1 A 55 55 ALA N N 55 122.386 128.138 -5.752 1
1 618 . 16 1 1 A 56 56 PRO HA H 56 3.586 3.977 -0.391 1
1 625 . 16 1 1 A 56 56 PRO C C 56 178.765 177.022 1.743 1
1 626 . 16 1 1 A 56 56 PRO CA C 56 61.218 62.175 -0.957 1
1 627 . 16 1 1 A 56 56 PRO CB C 56 30.430 31.918 -1.488 1
1 630 . 16 1 1 A 57 57 SER H H 57 8.187 7.426 0.761 1
1 631 . 16 1 1 A 57 57 SER HA H 57 2.721 3.317 -0.596 1
1 634 . 16 1 1 A 57 57 SER C C 57 175.094 175.894 -0.800 1
1 635 . 16 1 1 A 57 57 SER CA C 57 60.865 60.081 0.784 1
1 636 . 16 1 1 A 57 57 SER CB C 57 60.645 61.423 -0.778 1
1 637 . 16 1 1 A 57 57 SER N N 57 120.088 119.290 0.798 1
1 638 . 16 1 1 A 58 58 HIS H H 58 7.482 7.045 0.437 1
1 639 . 16 1 1 A 58 58 HIS HA H 58 4.433 4.123 0.310 1
1 644 . 16 1 1 A 58 58 HIS C C 58 175.763 177.445 -1.682 1
1 645 . 16 1 1 A 58 58 HIS CA C 58 56.938 59.303 -2.365 1
1 646 . 16 1 1 A 58 58 HIS CB C 58 28.597 29.711 -1.114 1
1 649 . 16 1 1 A 58 58 HIS N N 58 115.490 119.106 -3.616 1
1 650 . 16 1 1 A 59 59 TYR H H 59 7.251 7.662 -0.411 1
1 651 . 16 1 1 A 59 59 TYR HA H 59 4.366 4.297 0.069 1
1 658 . 16 1 1 A 59 59 TYR C C 59 173.874 176.311 -2.437 1
1 659 . 16 1 1 A 59 59 TYR CA C 59 58.862 60.454 -1.592 1
1 660 . 16 1 1 A 59 59 TYR CB C 59 36.586 39.330 -2.744 1
1 665 . 16 1 1 A 59 59 TYR N N 59 120.460 116.568 3.892 1
1 666 . 16 1 1 A 60 60 LEU H H 60 7.574 6.944 0.630 1
1 667 . 16 1 1 A 60 60 LEU HA H 60 4.964 4.271 0.693 1
1 677 . 16 1 1 A 60 60 LEU C C 60 175.663 176.418 -0.755 1
1 678 . 16 1 1 A 60 60 LEU CA C 60 53.709 55.060 -1.351 1
1 679 . 16 1 1 A 60 60 LEU CB C 60 42.879 42.475 0.404 1
1 683 . 16 1 1 A 60 60 LEU N N 60 121.690 119.883 1.807 1
1 684 . 16 1 1 A 61 61 VAL H H 61 9.082 9.055 0.027 1
1 685 . 16 1 1 A 61 61 VAL HA H 61 4.309 4.520 -0.211 1
1 693 . 16 1 1 A 61 61 VAL C C 61 174.803 175.558 -0.755 1
1 694 . 16 1 1 A 61 61 VAL CA C 61 61.381 62.248 -0.867 1
1 695 . 16 1 1 A 61 61 VAL CB C 61 33.607 32.208 1.399 1
1 698 . 16 1 1 A 61 61 VAL N N 61 119.010 124.079 -5.069 1
1 699 . 16 1 1 A 62 62 LEU H H 62 8.307 8.916 -0.609 1
1 700 . 16 1 1 A 62 62 LEU HA H 62 4.288 4.947 -0.659 1
1 710 . 16 1 1 A 62 62 LEU C C 62 176.976 176.306 0.670 1
1 711 . 16 1 1 A 62 62 LEU CA C 62 54.807 53.929 0.878 1
1 712 . 16 1 1 A 62 62 LEU CB C 62 42.932 42.620 0.312 1
1 716 . 16 1 1 A 62 62 LEU N N 62 127.895 129.436 -1.541 1
1 717 . 16 1 1 A 63 63 ASP H H 63 8.475 8.530 -0.055 1
1 718 . 16 1 1 A 63 63 ASP HA H 63 4.595 4.862 -0.267 1
1 721 . 16 1 1 A 63 63 ASP C C 63 176.269 175.639 0.630 1
1 722 . 16 1 1 A 63 63 ASP CA C 63 53.903 53.744 0.159 1
1 723 . 16 1 1 A 63 63 ASP CB C 63 41.618 40.271 1.347 1
1 724 . 16 1 1 A 63 63 ASP N N 63 122.904 120.281 2.623 1
1 725 . 16 1 1 A 64 64 GLU H H 64 8.528 8.045 0.483 1
1 726 . 16 1 1 A 64 64 GLU HA H 64 4.220 4.942 -0.722 1
1 731 . 16 1 1 A 64 64 GLU C C 64 176.504 175.827 0.677 1
1 732 . 16 1 1 A 64 64 GLU CA C 64 57.043 54.517 2.526 1
1 733 . 16 1 1 A 64 64 GLU CB C 64 30.214 33.107 -2.893 1
1 735 . 16 1 1 A 64 64 GLU N N 64 122.471 122.151 0.320 1
1 736 . 16 1 1 A 65 65 ASN H H 65 8.523 8.750 -0.227 1
1 737 . 16 1 1 A 65 65 ASN HA H 65 4.661 4.591 0.070 1
1 742 . 16 1 1 A 65 65 ASN C C 65 175.223 175.130 0.093 1
1 743 . 16 1 1 A 65 65 ASN CA C 65 53.674 53.993 -0.319 1
1 744 . 16 1 1 A 65 65 ASN CB C 65 39.088 37.837 1.251 1
1 745 . 16 1 1 A 65 65 ASN N N 65 118.895 119.405 -0.510 1
1 747 . 16 1 1 A 66 66 GLU H H 66 8.222 8.297 -0.075 1
1 748 . 16 1 1 A 66 66 GLU HA H 66 4.293 4.653 -0.360 1
1 753 . 16 1 1 A 66 66 GLU C C 66 176.054 174.698 1.356 1
1 754 . 16 1 1 A 66 66 GLU CA C 66 56.432 55.303 1.129 1
1 755 . 16 1 1 A 66 66 GLU CB C 66 30.476 33.400 -2.924 1
1 757 . 16 1 1 A 66 66 GLU N N 66 120.919 124.294 -3.375 1
1 758 . 16 1 1 A 67 67 GLN H H 67 8.293 8.382 -0.089 1
1 759 . 16 1 1 A 67 67 GLN HA H 67 4.582 4.333 0.249 1
1 766 . 16 1 1 A 67 67 GLN C C 67 173.836 175.543 -1.707 1
1 767 . 16 1 1 A 67 67 GLN CA C 67 53.593 55.022 -1.429 1
1 768 . 16 1 1 A 67 67 GLN CB C 67 28.949 28.886 0.063 1
1 770 . 16 1 1 A 67 67 GLN N N 67 122.295 124.526 -2.231 1
1 772 . 16 1 1 A 68 68 PRO HA H 68 4.401 4.554 -0.153 1
1 779 . 16 1 1 A 68 68 PRO CA C 68 62.882 62.532 0.350 1
1 780 . 16 1 1 A 68 68 PRO CB C 68 32.175 32.348 -0.173 1
1 783 . 16 1 1 A 69 69 ASP H H 69 8.502 8.350 0.152 1
1 784 . 16 1 1 A 69 69 ASP HA H 69 4.836 5.167 -0.331 1
1 787 . 16 1 1 A 69 69 ASP CA C 69 51.945 51.218 0.727 1
1 788 . 16 1 1 A 69 69 ASP CB C 69 41.305 41.679 -0.374 1
1 789 . 16 1 1 A 69 69 ASP N N 69 121.937 120.596 1.341 1
1 790 . 16 1 1 A 70 70 PRO HA H 70 4.437 4.546 -0.109 1
1 797 . 16 1 1 A 70 70 PRO C C 70 177.484 176.298 1.186 1
1 798 . 16 1 1 A 70 70 PRO CA C 70 63.777 63.863 -0.086 1
1 799 . 16 1 1 A 70 70 PRO CB C 70 32.027 31.763 0.264 1
1 802 . 16 1 1 A 71 71 SER H H 71 8.506 7.804 0.702 1
1 803 . 16 1 1 A 71 71 SER HA H 71 4.364 4.401 -0.037 1
1 806 . 16 1 1 A 71 71 SER C C 71 175.439 175.580 -0.141 1
1 807 . 16 1 1 A 71 71 SER CA C 71 59.261 58.658 0.603 1
1 808 . 16 1 1 A 71 71 SER CB C 71 63.771 64.263 -0.492 1
1 809 . 16 1 1 A 71 71 SER N N 71 115.901 115.822 0.079 1
1 810 . 16 1 1 A 72 72 GLY H H 72 8.258 8.741 -0.483 1
1 811 . 16 1 1 A 72 72 GLY HA2 H 72 3.958 3.839 0.119 1
1 812 . 16 1 1 A 72 72 GLY HA3 H 72 3.958 3.840 0.118 1
1 813 . 16 1 1 A 72 72 GLY C C 72 174.314 175.192 -0.878 1
1 814 . 16 1 1 A 72 72 GLY CA C 72 45.469 47.301 -1.832 1
1 815 . 16 1 1 A 72 72 GLY N N 72 110.595 112.821 -2.226 1
1 816 . 16 1 1 A 73 73 LYS H H 73 8.052 8.134 -0.082 1
1 817 . 16 1 1 A 73 73 LYS HA H 73 4.305 3.887 0.418 1
1 826 . 16 1 1 A 73 73 LYS C C 73 176.792 176.019 0.773 1
1 827 . 16 1 1 A 73 73 LYS CA C 73 56.420 57.307 -0.887 1
1 828 . 16 1 1 A 73 73 LYS CB C 73 33.082 30.856 2.226 1
1 832 . 16 1 1 A 73 73 LYS N N 73 120.614 119.621 0.993 1
1 833 . 16 1 1 A 74 74 GLU H H 74 8.559 7.926 0.633 1
1 834 . 16 1 1 A 74 74 GLU HA H 74 4.305 4.542 -0.237 1
1 839 . 16 1 1 A 74 74 GLU C C 74 176.648 176.261 0.387 1
1 840 . 16 1 1 A 74 74 GLU CA C 74 56.446 56.284 0.162 1
1 841 . 16 1 1 A 74 74 GLU CB C 74 30.215 30.509 -0.294 1
1 843 . 16 1 1 A 74 74 GLU N N 74 122.000 116.949 5.051 1
1 844 . 16 1 1 A 75 75 SER H H 75 8.364 9.044 -0.680 1
1 845 . 16 1 1 A 75 75 SER HA H 75 4.450 4.366 0.084 1
1 846 . 16 1 1 A 75 75 SER C C 75 174.540 175.536 -0.996 1
1 847 . 16 1 1 A 75 75 SER CA C 75 58.538 60.055 -1.517 1
1 848 . 16 1 1 A 75 75 SER CB C 75 63.977 63.739 0.238 1
1 849 . 16 1 1 A 75 75 SER N N 75 116.992 118.239 -1.247 1
1 850 . 16 1 1 A 76 76 GLY H H 76 8.243 7.860 0.383 1
1 851 . 16 1 1 A 76 76 GLY HA2 H 76 4.157 4.068 0.089 1
1 852 . 16 1 1 A 76 76 GLY HA3 H 76 4.058 4.069 -0.011 1
1 853 . 16 1 1 A 76 76 GLY CA C 76 44.680 44.761 -0.081 1
1 854 . 16 1 1 A 76 76 GLY N N 76 110.704 107.042 3.662 1
1 855 . 16 1 1 A 77 77 PRO HA H 77 4.463 4.777 -0.314 1
1 862 . 16 1 1 A 77 77 PRO C C 77 177.454 175.118 2.336 1
1 863 . 16 1 1 A 77 77 PRO CA C 77 63.202 62.731 0.471 1
1 864 . 16 1 1 A 77 77 PRO CB C 77 32.276 32.693 -0.417 1
1 867 . 16 1 1 A 78 78 SER H H 78 8.535 8.824 -0.289 1
1 870 . 16 1 1 A 78 78 SER C C 78 174.735 172.102 2.633 1
1 871 . 16 1 1 A 78 78 SER CA C 78 58.373 57.522 0.851 1
1 872 . 16 1 1 A 78 78 SER CB C 78 63.977 65.749 -1.772 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.494 4.977 -0.483 1
1 2 . 17 1 1 A 6 6 SER CA C 6 58.785 57.417 1.368 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.483 65.670 -2.187 1
1 4 . 17 1 1 A 7 7 GLY H H 7 8.367 8.302 0.065 1
1 5 . 17 1 1 A 7 7 GLY HA2 H 7 3.955 4.221 -0.266 1
1 6 . 17 1 1 A 7 7 GLY HA3 H 7 3.955 4.224 -0.269 1
1 7 . 17 1 1 A 7 7 GLY C C 7 173.640 171.987 1.653 1
1 8 . 17 1 1 A 7 7 GLY CA C 7 45.215 45.514 -0.299 1
1 9 . 17 1 1 A 7 7 GLY N N 7 110.787 107.663 3.124 1
1 10 . 17 1 1 A 8 8 ALA H H 8 8.126 8.328 -0.202 1
1 11 . 17 1 1 A 8 8 ALA HA H 8 4.458 4.959 -0.501 1
1 15 . 17 1 1 A 8 8 ALA C C 8 177.711 175.312 2.399 1
1 16 . 17 1 1 A 8 8 ALA CA C 8 52.493 51.606 0.887 1
1 17 . 17 1 1 A 8 8 ALA CB C 8 19.761 22.842 -3.081 1
1 18 . 17 1 1 A 8 8 ALA N N 8 123.680 124.332 -0.652 1
1 19 . 17 1 1 A 9 9 THR H H 9 8.254 8.741 -0.487 1
1 20 . 17 1 1 A 9 9 THR HA H 9 4.527 4.960 -0.433 1
1 25 . 17 1 1 A 9 9 THR C C 9 174.050 173.655 0.395 1
1 26 . 17 1 1 A 9 9 THR CA C 9 61.874 61.259 0.615 1
1 27 . 17 1 1 A 9 9 THR CB C 9 70.580 72.498 -1.918 1
1 29 . 17 1 1 A 9 9 THR N N 9 113.196 113.956 -0.760 1
1 30 . 17 1 1 A 10 10 SER H H 10 8.264 8.985 -0.721 1
1 31 . 17 1 1 A 10 10 SER HA H 10 5.228 5.598 -0.370 1
1 34 . 17 1 1 A 10 10 SER C C 10 173.318 173.757 -0.439 1
1 35 . 17 1 1 A 10 10 SER CA C 10 58.404 57.140 1.264 1
1 36 . 17 1 1 A 10 10 SER CB C 10 64.098 64.802 -0.704 1
1 37 . 17 1 1 A 10 10 SER N N 10 120.509 120.415 0.094 1
1 38 . 17 1 1 A 11 11 TYR H H 11 8.957 9.080 -0.123 1
1 39 . 17 1 1 A 11 11 TYR HA H 11 4.793 5.131 -0.338 1
1 46 . 17 1 1 A 11 11 TYR C C 11 174.111 174.974 -0.863 1
1 47 . 17 1 1 A 11 11 TYR CA C 11 57.097 56.910 0.187 1
1 48 . 17 1 1 A 11 11 TYR CB C 11 43.764 42.551 1.213 1
1 53 . 17 1 1 A 11 11 TYR N N 11 124.069 122.240 1.829 1
1 54 . 17 1 1 A 12 12 MET H H 12 8.985 8.786 0.199 1
1 55 . 17 1 1 A 12 12 MET HA H 12 5.463 5.212 0.251 1
1 63 . 17 1 1 A 12 12 MET C C 12 177.045 175.831 1.214 1
1 64 . 17 1 1 A 12 12 MET CA C 12 52.215 54.152 -1.937 1
1 65 . 17 1 1 A 12 12 MET CB C 12 33.195 34.691 -1.496 1
1 68 . 17 1 1 A 12 12 MET N N 12 118.428 119.812 -1.384 1
1 69 . 17 1 1 A 13 13 THR H H 13 9.132 8.601 0.531 1
1 70 . 17 1 1 A 13 13 THR HA H 13 4.872 4.619 0.253 1
1 75 . 17 1 1 A 13 13 THR C C 13 177.032 174.177 2.855 1
1 76 . 17 1 1 A 13 13 THR CA C 13 60.003 61.882 -1.879 1
1 77 . 17 1 1 A 13 13 THR CB C 13 69.597 69.803 -0.206 1
1 79 . 17 1 1 A 13 13 THR N N 13 113.981 116.174 -2.193 1
1 80 . 17 1 1 A 14 14 CYS H H 14 9.504 8.647 0.857 1
1 81 . 17 1 1 A 14 14 CYS HA H 14 4.806 4.572 0.234 1
1 84 . 17 1 1 A 14 14 CYS C C 14 173.712 173.735 -0.023 1
1 85 . 17 1 1 A 14 14 CYS CA C 14 57.209 59.190 -1.981 1
1 86 . 17 1 1 A 14 14 CYS CB C 14 28.772 29.576 -0.804 1
1 87 . 17 1 1 A 14 14 CYS N N 14 122.485 120.802 1.683 1
1 88 . 17 1 1 A 15 15 SER H H 15 7.796 7.795 0.001 1
1 89 . 17 1 1 A 15 15 SER HA H 15 4.578 4.880 -0.302 1
1 92 . 17 1 1 A 15 15 SER C C 15 171.037 172.480 -1.443 1
1 93 . 17 1 1 A 15 15 SER CA C 15 56.858 57.969 -1.111 1
1 94 . 17 1 1 A 15 15 SER CB C 15 66.124 66.738 -0.614 1
1 95 . 17 1 1 A 15 15 SER N N 15 116.311 114.463 1.848 1
1 96 . 17 1 1 A 16 16 ALA H H 16 8.398 8.487 -0.089 1
1 97 . 17 1 1 A 16 16 ALA HA H 16 4.582 4.966 -0.384 1
1 101 . 17 1 1 A 16 16 ALA C C 16 176.897 176.160 0.737 1
1 102 . 17 1 1 A 16 16 ALA CA C 16 52.085 51.719 0.366 1
1 103 . 17 1 1 A 16 16 ALA CB C 16 19.720 19.168 0.552 1
1 104 . 17 1 1 A 16 16 ALA N N 16 124.071 126.363 -2.292 1
1 105 . 17 1 1 A 17 17 TYR H H 17 8.401 8.143 0.258 1
1 106 . 17 1 1 A 17 17 TYR HA H 17 4.384 4.863 -0.479 1
1 113 . 17 1 1 A 17 17 TYR C C 17 173.836 173.947 -0.111 1
1 114 . 17 1 1 A 17 17 TYR CA C 17 57.801 57.753 0.048 1
1 115 . 17 1 1 A 17 17 TYR CB C 17 42.166 39.512 2.654 1
1 120 . 17 1 1 A 17 17 TYR N N 17 121.997 126.500 -4.503 1
1 121 . 17 1 1 A 18 18 GLN H H 18 6.844 8.180 -1.336 1
1 122 . 17 1 1 A 18 18 GLN HA H 18 4.318 4.569 -0.251 1
1 129 . 17 1 1 A 18 18 GLN C C 18 172.990 175.147 -2.157 1
1 130 . 17 1 1 A 18 18 GLN CA C 18 52.767 53.909 -1.142 1
1 131 . 17 1 1 A 18 18 GLN CB C 18 29.940 30.517 -0.577 1
1 133 . 17 1 1 A 18 18 GLN N N 18 127.603 127.818 -0.215 1
1 135 . 17 1 1 A 19 19 LYS H H 19 8.155 8.327 -0.172 1
1 136 . 17 1 1 A 19 19 LYS HA H 19 4.130 4.664 -0.534 1
1 145 . 17 1 1 A 19 19 LYS C C 19 175.995 176.850 -0.855 1
1 146 . 17 1 1 A 19 19 LYS CA C 19 56.489 55.845 0.644 1
1 147 . 17 1 1 A 19 19 LYS CB C 19 33.369 33.196 0.173 1
1 151 . 17 1 1 A 19 19 LYS N N 19 123.114 123.529 -0.415 1
1 152 . 17 1 1 A 20 20 VAL H H 20 8.679 8.712 -0.033 1
1 153 . 17 1 1 A 20 20 VAL HA H 20 4.153 4.312 -0.159 1
1 161 . 17 1 1 A 20 20 VAL C C 20 176.493 175.432 1.061 1
1 162 . 17 1 1 A 20 20 VAL CA C 20 62.520 62.162 0.358 1
1 163 . 17 1 1 A 20 20 VAL CB C 20 32.847 32.496 0.351 1
1 166 . 17 1 1 A 20 20 VAL N N 20 120.106 119.751 0.355 1
1 167 . 17 1 1 A 21 21 GLN H H 21 7.133 7.503 -0.370 1
1 168 . 17 1 1 A 21 21 GLN HA H 21 4.582 4.794 -0.212 1
1 175 . 17 1 1 A 21 21 GLN C C 21 177.019 175.607 1.412 1
1 176 . 17 1 1 A 21 21 GLN CA C 21 54.291 54.004 0.287 1
1 177 . 17 1 1 A 21 21 GLN CB C 21 31.023 32.492 -1.469 1
1 179 . 17 1 1 A 21 21 GLN N N 21 116.079 120.387 -4.308 1
1 181 . 17 1 1 A 22 22 ASP H H 22 8.858 9.050 -0.192 1
1 182 . 17 1 1 A 22 22 ASP HA H 22 4.318 4.393 -0.075 1
1 185 . 17 1 1 A 22 22 ASP C C 22 176.746 178.647 -1.901 1
1 186 . 17 1 1 A 22 22 ASP CA C 22 57.752 57.393 0.359 1
1 187 . 17 1 1 A 22 22 ASP CB C 22 40.859 40.438 0.421 1
1 188 . 17 1 1 A 22 22 ASP N N 22 120.173 123.128 -2.955 1
1 189 . 17 1 1 A 23 23 SER H H 23 7.860 8.047 -0.187 1
1 190 . 17 1 1 A 23 23 SER HA H 23 4.648 4.299 0.349 1
1 193 . 17 1 1 A 23 23 SER C C 23 175.526 175.355 0.171 1
1 194 . 17 1 1 A 23 23 SER CA C 23 58.597 61.555 -2.958 1
1 195 . 17 1 1 A 23 23 SER CB C 23 62.993 62.684 0.309 1
1 196 . 17 1 1 A 23 23 SER N N 23 110.013 112.937 -2.924 1
1 197 . 17 1 1 A 24 24 GLU H H 24 7.579 8.129 -0.550 1
1 198 . 17 1 1 A 24 24 GLU HA H 24 5.574 4.726 0.848 1
1 203 . 17 1 1 A 24 24 GLU C C 24 174.394 175.407 -1.013 1
1 204 . 17 1 1 A 24 24 GLU CA C 24 55.633 56.923 -1.290 1
1 205 . 17 1 1 A 24 24 GLU CB C 24 32.848 30.958 1.890 1
1 207 . 17 1 1 A 24 24 GLU N N 24 122.542 121.308 1.234 1
1 208 . 17 1 1 A 25 25 ILE H H 25 7.894 8.877 -0.983 1
1 209 . 17 1 1 A 25 25 ILE HA H 25 4.661 4.895 -0.234 1
1 219 . 17 1 1 A 25 25 ILE C C 25 171.519 173.865 -2.346 1
1 220 . 17 1 1 A 25 25 ILE CA C 25 58.838 59.484 -0.646 1
1 221 . 17 1 1 A 25 25 ILE CB C 25 42.673 42.169 0.504 1
1 225 . 17 1 1 A 25 25 ILE N N 25 117.944 123.312 -5.368 1
1 226 . 17 1 1 A 26 26 SER H H 26 7.535 9.057 -1.522 1
1 227 . 17 1 1 A 26 26 SER HA H 26 4.885 5.535 -0.650 1
1 230 . 17 1 1 A 26 26 SER C C 26 174.052 173.993 0.059 1
1 231 . 17 1 1 A 26 26 SER CA C 26 56.515 57.166 -0.651 1
1 232 . 17 1 1 A 26 26 SER CB C 26 65.131 64.981 0.150 1
1 233 . 17 1 1 A 26 26 SER N N 26 116.426 123.918 -7.492 1
1 234 . 17 1 1 A 27 27 PHE H H 27 8.271 8.341 -0.070 1
1 235 . 17 1 1 A 27 27 PHE HA H 27 4.934 5.188 -0.254 1
1 243 . 17 1 1 A 27 27 PHE C C 27 173.278 172.977 0.301 1
1 244 . 17 1 1 A 27 27 PHE CA C 27 53.758 54.928 -1.170 1
1 245 . 17 1 1 A 27 27 PHE CB C 27 37.379 41.604 -4.225 1
1 251 . 17 1 1 A 27 27 PHE N N 27 116.221 118.669 -2.448 1
1 252 . 17 1 1 A 28 28 PRO HA H 28 4.872 4.676 0.196 1
1 259 . 17 1 1 A 28 28 PRO C C 28 176.165 175.782 0.383 1
1 260 . 17 1 1 A 28 28 PRO CA C 28 61.019 62.455 -1.436 1
1 261 . 17 1 1 A 28 28 PRO CB C 28 32.410 32.837 -0.427 1
1 264 . 17 1 1 A 29 29 ALA H H 29 8.513 8.349 0.164 1
1 265 . 17 1 1 A 29 29 ALA HA H 29 3.822 4.684 -0.862 1
1 269 . 17 1 1 A 29 29 ALA C C 29 178.074 177.886 0.188 1
1 270 . 17 1 1 A 29 29 ALA CA C 29 52.670 52.080 0.590 1
1 271 . 17 1 1 A 29 29 ALA CB C 29 19.721 19.560 0.161 1
1 272 . 17 1 1 A 29 29 ALA N N 29 120.286 123.691 -3.405 1
1 273 . 17 1 1 A 30 30 GLY H H 30 8.022 8.505 -0.483 1
1 274 . 17 1 1 A 30 30 GLY HA2 H 30 3.956 4.094 -0.138 1
1 275 . 17 1 1 A 30 30 GLY HA3 H 30 3.733 4.100 -0.367 1
1 276 . 17 1 1 A 30 30 GLY C C 30 174.944 173.724 1.220 1
1 277 . 17 1 1 A 30 30 GLY CA C 30 46.739 45.130 1.609 1
1 278 . 17 1 1 A 30 30 GLY N N 30 110.746 111.304 -0.558 1
1 279 . 17 1 1 A 31 31 VAL H H 31 7.736 7.383 0.353 1
1 280 . 17 1 1 A 31 31 VAL HA H 31 4.753 4.856 -0.103 1
1 288 . 17 1 1 A 31 31 VAL C C 31 173.642 174.132 -0.490 1
1 289 . 17 1 1 A 31 31 VAL CA C 31 58.809 59.071 -0.262 1
1 290 . 17 1 1 A 31 31 VAL CB C 31 34.719 35.397 -0.678 1
1 293 . 17 1 1 A 31 31 VAL N N 31 112.109 115.394 -3.285 1
1 294 . 17 1 1 A 32 32 GLU H H 32 8.264 8.838 -0.574 1
1 295 . 17 1 1 A 32 32 GLU HA H 32 5.090 4.975 0.115 1
1 300 . 17 1 1 A 32 32 GLU C C 32 176.725 176.068 0.657 1
1 301 . 17 1 1 A 32 32 GLU CA C 32 55.713 55.452 0.261 1
1 302 . 17 1 1 A 32 32 GLU CB C 32 31.615 31.168 0.447 1
1 304 . 17 1 1 A 32 32 GLU N N 32 121.304 122.730 -1.426 1
1 305 . 17 1 1 A 33 33 VAL H H 33 9.136 8.707 0.429 1
1 306 . 17 1 1 A 33 33 VAL HA H 33 5.001 4.843 0.158 1
1 314 . 17 1 1 A 33 33 VAL C C 33 174.395 173.359 1.036 1
1 315 . 17 1 1 A 33 33 VAL CA C 33 58.765 58.803 -0.038 1
1 316 . 17 1 1 A 33 33 VAL CB C 33 34.596 35.873 -1.277 1
1 319 . 17 1 1 A 33 33 VAL N N 33 117.728 119.343 -1.615 1
1 320 . 17 1 1 A 34 34 GLN H H 34 8.551 8.808 -0.257 1
1 321 . 17 1 1 A 34 34 GLN HA H 34 5.052 5.006 0.046 1
1 328 . 17 1 1 A 34 34 GLN C C 34 175.752 174.612 1.140 1
1 329 . 17 1 1 A 34 34 GLN CA C 34 54.328 54.242 0.086 1
1 330 . 17 1 1 A 34 34 GLN CB C 34 30.760 31.920 -1.160 1
1 332 . 17 1 1 A 34 34 GLN N N 34 119.032 121.828 -2.796 1
1 334 . 17 1 1 A 35 35 VAL H H 35 9.180 8.824 0.356 1
1 335 . 17 1 1 A 35 35 VAL HA H 35 4.144 3.995 0.149 1
1 343 . 17 1 1 A 35 35 VAL C C 35 175.602 175.277 0.325 1
1 344 . 17 1 1 A 35 35 VAL CA C 35 63.035 63.025 0.010 1
1 345 . 17 1 1 A 35 35 VAL CB C 35 32.056 31.053 1.003 1
1 348 . 17 1 1 A 35 35 VAL N N 35 124.135 127.467 -3.332 1
1 349 . 17 1 1 A 36 36 LEU H H 36 9.175 8.970 0.205 1
1 350 . 17 1 1 A 36 36 LEU HA H 36 4.429 4.228 0.201 1
1 360 . 17 1 1 A 36 36 LEU C C 36 177.299 176.452 0.847 1
1 361 . 17 1 1 A 36 36 LEU CA C 36 55.785 57.224 -1.439 1
1 362 . 17 1 1 A 36 36 LEU CB C 36 42.924 42.584 0.340 1
1 366 . 17 1 1 A 36 36 LEU N N 36 129.320 129.411 -0.091 1
1 367 . 17 1 1 A 37 37 GLU H H 37 7.569 8.066 -0.497 1
1 368 . 17 1 1 A 37 37 GLU HA H 37 4.414 4.870 -0.456 1
1 373 . 17 1 1 A 37 37 GLU C C 37 174.132 174.571 -0.439 1
1 374 . 17 1 1 A 37 37 GLU CA C 37 56.244 54.663 1.581 1
1 375 . 17 1 1 A 37 37 GLU CB C 37 33.236 33.189 0.047 1
1 377 . 17 1 1 A 37 37 GLU N N 37 116.925 115.741 1.184 1
1 378 . 17 1 1 A 38 38 LYS H H 38 8.693 8.664 0.029 1
1 379 . 17 1 1 A 38 38 LYS HA H 38 4.181 5.452 -1.271 1
1 388 . 17 1 1 A 38 38 LYS C C 38 175.877 174.992 0.885 1
1 389 . 17 1 1 A 38 38 LYS CA C 38 55.579 55.136 0.443 1
1 390 . 17 1 1 A 38 38 LYS CB C 38 34.965 35.990 -1.025 1
1 394 . 17 1 1 A 38 38 LYS N N 38 124.828 121.936 2.892 1
1 395 . 17 1 1 A 39 39 GLN H H 39 7.682 9.131 -1.449 1
1 396 . 17 1 1 A 39 39 GLN HA H 39 4.896 4.682 0.214 1
1 403 . 17 1 1 A 39 39 GLN C C 39 177.964 177.324 0.640 1
1 404 . 17 1 1 A 39 39 GLN CA C 39 55.324 54.643 0.681 1
1 405 . 17 1 1 A 39 39 GLN CB C 39 31.670 31.240 0.430 1
1 407 . 17 1 1 A 39 39 GLN N N 39 119.391 122.171 -2.780 1
1 409 . 17 1 1 A 40 40 GLU HA H 40 4.308 4.184 0.124 1
1 414 . 17 1 1 A 40 40 GLU C C 40 176.777 177.050 -0.273 1
1 415 . 17 1 1 A 40 40 GLU CA C 40 58.541 58.460 0.081 1
1 416 . 17 1 1 A 40 40 GLU CB C 40 29.363 28.708 0.655 1
1 418 . 17 1 1 A 41 41 SER H H 41 7.986 7.895 0.091 1
1 419 . 17 1 1 A 41 41 SER HA H 41 4.413 4.685 -0.272 1
1 422 . 17 1 1 A 41 41 SER C C 41 175.434 174.865 0.569 1
1 423 . 17 1 1 A 41 41 SER CA C 41 58.707 58.543 0.164 1
1 424 . 17 1 1 A 41 41 SER CB C 41 63.871 64.430 -0.559 1
1 425 . 17 1 1 A 41 41 SER N N 41 113.216 115.486 -2.270 1
1 426 . 17 1 1 A 42 42 GLY H H 42 8.135 8.137 -0.002 1
1 427 . 17 1 1 A 42 42 GLY HA2 H 42 4.347 3.827 0.520 1
1 428 . 17 1 1 A 42 42 GLY HA3 H 42 3.625 3.998 -0.373 1
1 429 . 17 1 1 A 42 42 GLY C C 42 173.338 174.315 -0.977 1
1 430 . 17 1 1 A 42 42 GLY CA C 42 44.998 45.105 -0.107 1
1 431 . 17 1 1 A 42 42 GLY N N 42 108.513 109.182 -0.669 1
1 432 . 17 1 1 A 43 43 TRP H H 43 7.820 7.951 -0.131 1
1 433 . 17 1 1 A 43 43 TRP HA H 43 4.942 4.479 0.463 1
1 442 . 17 1 1 A 43 43 TRP C C 43 174.648 176.379 -1.731 1
1 443 . 17 1 1 A 43 43 TRP CA C 43 57.245 58.065 -0.820 1
1 444 . 17 1 1 A 43 43 TRP CB C 43 30.102 29.354 0.748 1
1 450 . 17 1 1 A 43 43 TRP N N 43 122.320 120.536 1.784 1
1 452 . 17 1 1 A 44 44 TRP H H 44 9.769 8.922 0.847 1
1 453 . 17 1 1 A 44 44 TRP HA H 44 5.875 5.412 0.463 1
1 462 . 17 1 1 A 44 44 TRP C C 44 173.703 175.330 -1.627 1
1 463 . 17 1 1 A 44 44 TRP CA C 44 53.298 54.843 -1.545 1
1 464 . 17 1 1 A 44 44 TRP CB C 44 32.961 32.239 0.722 1
1 470 . 17 1 1 A 44 44 TRP N N 44 125.138 124.224 0.914 1
1 472 . 17 1 1 A 45 45 TYR H H 45 9.168 8.882 0.286 1
1 473 . 17 1 1 A 45 45 TYR HA H 45 4.173 4.294 -0.121 1
1 480 . 17 1 1 A 45 45 TYR C C 45 175.086 174.794 0.292 1
1 481 . 17 1 1 A 45 45 TYR CA C 45 58.044 56.822 1.222 1
1 482 . 17 1 1 A 45 45 TYR CB C 45 38.792 37.834 0.958 1
1 487 . 17 1 1 A 45 45 TYR N N 45 127.429 126.123 1.306 1
1 488 . 17 1 1 A 46 46 VAL H H 46 8.689 8.721 -0.032 1
1 489 . 17 1 1 A 46 46 VAL HA H 46 5.142 5.178 -0.036 1
1 497 . 17 1 1 A 46 46 VAL C C 46 172.384 173.664 -1.280 1
1 498 . 17 1 1 A 46 46 VAL CA C 46 59.010 59.623 -0.613 1
1 499 . 17 1 1 A 46 46 VAL CB C 46 35.502 33.984 1.518 1
1 502 . 17 1 1 A 46 46 VAL N N 46 124.245 122.119 2.126 1
1 503 . 17 1 1 A 47 47 ARG H H 47 9.049 8.206 0.843 1
1 504 . 17 1 1 A 47 47 ARG HA H 47 5.163 5.194 -0.031 1
1 512 . 17 1 1 A 47 47 ARG C C 47 175.057 174.035 1.022 1
1 513 . 17 1 1 A 47 47 ARG CA C 47 54.158 54.327 -0.169 1
1 514 . 17 1 1 A 47 47 ARG CB C 47 34.146 33.453 0.693 1
1 517 . 17 1 1 A 47 47 ARG N N 47 120.700 121.473 -0.773 1
1 519 . 17 1 1 A 48 48 PHE H H 48 9.042 8.998 0.044 1
1 520 . 17 1 1 A 48 48 PHE HA H 48 5.296 4.753 0.543 1
1 528 . 17 1 1 A 48 48 PHE C C 48 175.133 175.603 -0.470 1
1 529 . 17 1 1 A 48 48 PHE CA C 48 54.446 57.019 -2.573 1
1 530 . 17 1 1 A 48 48 PHE CB C 48 40.369 41.044 -0.675 1
1 536 . 17 1 1 A 48 48 PHE N N 48 128.029 127.691 0.338 1
1 537 . 17 1 1 A 49 49 GLY H H 49 9.103 8.807 0.296 1
1 538 . 17 1 1 A 49 49 GLY HA2 H 49 3.644 3.583 0.061 1
1 539 . 17 1 1 A 49 49 GLY HA3 H 49 3.503 3.681 -0.178 1
1 540 . 17 1 1 A 49 49 GLY C C 49 174.287 174.594 -0.307 1
1 541 . 17 1 1 A 49 49 GLY CA C 49 47.008 47.070 -0.062 1
1 542 . 17 1 1 A 49 49 GLY N N 49 118.890 115.937 2.953 1
1 543 . 17 1 1 A 50 50 GLU H H 50 8.920 8.662 0.258 1
1 544 . 17 1 1 A 50 50 GLU HA H 50 4.333 4.502 -0.169 1
1 549 . 17 1 1 A 50 50 GLU C C 50 176.000 174.878 1.122 1
1 550 . 17 1 1 A 50 50 GLU CA C 50 56.080 55.404 0.676 1
1 551 . 17 1 1 A 50 50 GLU CB C 50 30.022 30.388 -0.366 1
1 553 . 17 1 1 A 50 50 GLU N N 50 125.280 126.005 -0.725 1
1 554 . 17 1 1 A 51 51 LEU H H 51 7.792 7.470 0.322 1
1 555 . 17 1 1 A 51 51 LEU HA H 51 4.635 4.913 -0.278 1
1 565 . 17 1 1 A 51 51 LEU C C 51 175.050 174.931 0.119 1
1 566 . 17 1 1 A 51 51 LEU CA C 51 54.074 53.570 0.504 1
1 567 . 17 1 1 A 51 51 LEU CB C 51 44.171 47.622 -3.451 1
1 571 . 17 1 1 A 51 51 LEU N N 51 121.706 120.994 0.712 1
1 572 . 17 1 1 A 52 52 GLU H H 52 8.165 8.689 -0.524 1
1 573 . 17 1 1 A 52 52 GLU HA H 52 5.476 5.176 0.300 1
1 578 . 17 1 1 A 52 52 GLU C C 52 176.062 175.067 0.995 1
1 579 . 17 1 1 A 52 52 GLU CA C 52 53.810 54.652 -0.842 1
1 580 . 17 1 1 A 52 52 GLU CB C 52 33.486 32.596 0.890 1
1 582 . 17 1 1 A 52 52 GLU N N 52 116.700 119.791 -3.091 1
1 583 . 17 1 1 A 53 53 GLY H H 53 8.091 8.436 -0.345 1
1 584 . 17 1 1 A 53 53 GLY HA2 H 53 3.882 4.428 -0.546 1
1 585 . 17 1 1 A 53 53 GLY HA3 H 53 3.730 4.485 -0.755 1
1 586 . 17 1 1 A 53 53 GLY C C 53 170.279 171.721 -1.442 1
1 587 . 17 1 1 A 53 53 GLY CA C 53 45.344 44.202 1.142 1
1 588 . 17 1 1 A 53 53 GLY N N 53 106.613 111.406 -4.793 1
1 589 . 17 1 1 A 54 54 TRP H H 54 8.595 8.933 -0.338 1
1 590 . 17 1 1 A 54 54 TRP HA H 54 5.348 5.378 -0.030 1
1 599 . 17 1 1 A 54 54 TRP C C 54 175.873 176.109 -0.236 1
1 600 . 17 1 1 A 54 54 TRP CA C 54 57.602 56.846 0.756 1
1 601 . 17 1 1 A 54 54 TRP CB C 54 31.176 30.010 1.166 1
1 607 . 17 1 1 A 54 54 TRP N N 54 120.550 120.962 -0.412 1
1 609 . 17 1 1 A 55 55 ALA H H 55 9.993 9.090 0.903 1
1 610 . 17 1 1 A 55 55 ALA HA H 55 4.978 4.351 0.627 1
1 614 . 17 1 1 A 55 55 ALA C C 55 173.642 174.740 -1.098 1
1 615 . 17 1 1 A 55 55 ALA CA C 55 49.335 49.084 0.251 1
1 616 . 17 1 1 A 55 55 ALA CB C 55 22.101 20.807 1.294 1
1 617 . 17 1 1 A 55 55 ALA N N 55 122.386 128.077 -5.691 1
1 618 . 17 1 1 A 56 56 PRO HA H 56 3.586 3.882 -0.296 1
1 625 . 17 1 1 A 56 56 PRO C C 56 178.765 176.862 1.903 1
1 626 . 17 1 1 A 56 56 PRO CA C 56 61.218 62.233 -1.015 1
1 627 . 17 1 1 A 56 56 PRO CB C 56 30.430 32.249 -1.819 1
1 630 . 17 1 1 A 57 57 SER H H 57 8.187 7.674 0.513 1
1 631 . 17 1 1 A 57 57 SER HA H 57 2.721 3.202 -0.481 1
1 634 . 17 1 1 A 57 57 SER C C 57 175.094 175.964 -0.870 1
1 635 . 17 1 1 A 57 57 SER CA C 57 60.865 60.075 0.790 1
1 636 . 17 1 1 A 57 57 SER CB C 57 60.645 61.811 -1.166 1
1 637 . 17 1 1 A 57 57 SER N N 57 120.088 118.954 1.134 1
1 638 . 17 1 1 A 58 58 HIS H H 58 7.482 7.214 0.268 1
1 639 . 17 1 1 A 58 58 HIS HA H 58 4.433 4.174 0.259 1
1 644 . 17 1 1 A 58 58 HIS C C 58 175.763 177.418 -1.655 1
1 645 . 17 1 1 A 58 58 HIS CA C 58 56.938 59.516 -2.578 1
1 646 . 17 1 1 A 58 58 HIS CB C 58 28.597 29.759 -1.162 1
1 649 . 17 1 1 A 58 58 HIS N N 58 115.490 119.108 -3.618 1
1 650 . 17 1 1 A 59 59 TYR H H 59 7.251 7.456 -0.205 1
1 651 . 17 1 1 A 59 59 TYR HA H 59 4.366 4.292 0.074 1
1 658 . 17 1 1 A 59 59 TYR C C 59 173.874 176.358 -2.484 1
1 659 . 17 1 1 A 59 59 TYR CA C 59 58.862 60.358 -1.496 1
1 660 . 17 1 1 A 59 59 TYR CB C 59 36.586 39.475 -2.889 1
1 665 . 17 1 1 A 59 59 TYR N N 59 120.460 116.990 3.470 1
1 666 . 17 1 1 A 60 60 LEU H H 60 7.574 7.052 0.522 1
1 667 . 17 1 1 A 60 60 LEU HA H 60 4.964 4.248 0.716 1
1 677 . 17 1 1 A 60 60 LEU C C 60 175.663 176.192 -0.529 1
1 678 . 17 1 1 A 60 60 LEU CA C 60 53.709 55.306 -1.597 1
1 679 . 17 1 1 A 60 60 LEU CB C 60 42.879 42.642 0.237 1
1 683 . 17 1 1 A 60 60 LEU N N 60 121.690 119.782 1.908 1
1 684 . 17 1 1 A 61 61 VAL H H 61 9.082 8.970 0.112 1
1 685 . 17 1 1 A 61 61 VAL HA H 61 4.309 4.732 -0.423 1
1 693 . 17 1 1 A 61 61 VAL C C 61 174.803 175.781 -0.978 1
1 694 . 17 1 1 A 61 61 VAL CA C 61 61.381 61.541 -0.160 1
1 695 . 17 1 1 A 61 61 VAL CB C 61 33.607 32.864 0.743 1
1 698 . 17 1 1 A 61 61 VAL N N 61 119.010 123.979 -4.969 1
1 699 . 17 1 1 A 62 62 LEU H H 62 8.307 9.149 -0.842 1
1 700 . 17 1 1 A 62 62 LEU HA H 62 4.288 5.240 -0.952 1
1 710 . 17 1 1 A 62 62 LEU C C 62 176.976 174.277 2.699 1
1 711 . 17 1 1 A 62 62 LEU CA C 62 54.807 52.953 1.854 1
1 712 . 17 1 1 A 62 62 LEU CB C 62 42.932 45.580 -2.648 1
1 716 . 17 1 1 A 62 62 LEU N N 62 127.895 125.095 2.800 1
1 717 . 17 1 1 A 63 63 ASP H H 63 8.475 8.924 -0.449 1
1 718 . 17 1 1 A 63 63 ASP HA H 63 4.595 5.309 -0.714 1
1 721 . 17 1 1 A 63 63 ASP C C 63 176.269 174.483 1.786 1
1 722 . 17 1 1 A 63 63 ASP CA C 63 53.903 52.600 1.303 1
1 723 . 17 1 1 A 63 63 ASP CB C 63 41.618 43.990 -2.372 1
1 724 . 17 1 1 A 63 63 ASP N N 63 122.904 123.465 -0.561 1
1 725 . 17 1 1 A 64 64 GLU H H 64 8.528 9.104 -0.576 1
1 726 . 17 1 1 A 64 64 GLU HA H 64 4.220 5.250 -1.030 1
1 731 . 17 1 1 A 64 64 GLU C C 64 176.504 175.239 1.265 1
1 732 . 17 1 1 A 64 64 GLU CA C 64 57.043 54.963 2.080 1
1 733 . 17 1 1 A 64 64 GLU CB C 64 30.214 32.454 -2.240 1
1 735 . 17 1 1 A 64 64 GLU N N 64 122.471 127.557 -5.086 1
1 736 . 17 1 1 A 65 65 ASN H H 65 8.523 8.828 -0.305 1
1 737 . 17 1 1 A 65 65 ASN HA H 65 4.661 5.138 -0.477 1
1 742 . 17 1 1 A 65 65 ASN C C 65 175.223 174.040 1.183 1
1 743 . 17 1 1 A 65 65 ASN CA C 65 53.674 51.797 1.877 1
1 744 . 17 1 1 A 65 65 ASN CB C 65 39.088 42.474 -3.386 1
1 745 . 17 1 1 A 65 65 ASN N N 65 118.895 123.593 -4.698 1
1 747 . 17 1 1 A 66 66 GLU H H 66 8.222 8.460 -0.238 1
1 748 . 17 1 1 A 66 66 GLU HA H 66 4.293 4.406 -0.113 1
1 753 . 17 1 1 A 66 66 GLU C C 66 176.054 176.279 -0.225 1
1 754 . 17 1 1 A 66 66 GLU CA C 66 56.432 56.671 -0.239 1
1 755 . 17 1 1 A 66 66 GLU CB C 66 30.476 29.892 0.584 1
1 757 . 17 1 1 A 66 66 GLU N N 66 120.919 120.886 0.033 1
1 758 . 17 1 1 A 67 67 GLN H H 67 8.293 8.674 -0.381 1
1 759 . 17 1 1 A 67 67 GLN HA H 67 4.582 4.990 -0.408 1
1 766 . 17 1 1 A 67 67 GLN C C 67 173.836 172.944 0.892 1
1 767 . 17 1 1 A 67 67 GLN CA C 67 53.593 53.115 0.478 1
1 768 . 17 1 1 A 67 67 GLN CB C 67 28.949 31.857 -2.908 1
1 770 . 17 1 1 A 67 67 GLN N N 67 122.295 121.469 0.826 1
1 772 . 17 1 1 A 68 68 PRO HA H 68 4.401 4.604 -0.203 1
1 779 . 17 1 1 A 68 68 PRO CA C 68 62.882 62.793 0.089 1
1 780 . 17 1 1 A 68 68 PRO CB C 68 32.175 31.610 0.565 1
1 783 . 17 1 1 A 69 69 ASP H H 69 8.502 8.582 -0.080 1
1 784 . 17 1 1 A 69 69 ASP HA H 69 4.836 4.507 0.329 1
1 787 . 17 1 1 A 69 69 ASP CA C 69 51.945 52.735 -0.790 1
1 788 . 17 1 1 A 69 69 ASP CB C 69 41.305 41.535 -0.230 1
1 789 . 17 1 1 A 69 69 ASP N N 69 121.937 123.374 -1.437 1
1 790 . 17 1 1 A 70 70 PRO HA H 70 4.437 4.564 -0.127 1
1 797 . 17 1 1 A 70 70 PRO C C 70 177.484 175.310 2.174 1
1 798 . 17 1 1 A 70 70 PRO CA C 70 63.777 62.272 1.505 1
1 799 . 17 1 1 A 70 70 PRO CB C 70 32.027 32.996 -0.969 1
1 802 . 17 1 1 A 71 71 SER H H 71 8.506 8.537 -0.031 1
1 803 . 17 1 1 A 71 71 SER HA H 71 4.364 5.229 -0.865 1
1 806 . 17 1 1 A 71 71 SER C C 71 175.439 173.609 1.830 1
1 807 . 17 1 1 A 71 71 SER CA C 71 59.261 57.671 1.590 1
1 808 . 17 1 1 A 71 71 SER CB C 71 63.771 66.542 -2.771 1
1 809 . 17 1 1 A 71 71 SER N N 71 115.901 116.107 -0.206 1
1 810 . 17 1 1 A 72 72 GLY H H 72 8.258 8.387 -0.129 1
1 811 . 17 1 1 A 72 72 GLY HA2 H 72 3.958 4.110 -0.152 1
1 812 . 17 1 1 A 72 72 GLY HA3 H 72 3.958 4.112 -0.154 1
1 813 . 17 1 1 A 72 72 GLY C C 72 174.314 171.962 2.352 1
1 814 . 17 1 1 A 72 72 GLY CA C 72 45.469 45.663 -0.194 1
1 815 . 17 1 1 A 72 72 GLY N N 72 110.595 109.740 0.855 1
1 816 . 17 1 1 A 73 73 LYS H H 73 8.052 8.680 -0.628 1
1 817 . 17 1 1 A 73 73 LYS HA H 73 4.305 5.058 -0.753 1
1 826 . 17 1 1 A 73 73 LYS C C 73 176.792 174.514 2.278 1
1 827 . 17 1 1 A 73 73 LYS CA C 73 56.420 55.639 0.781 1
1 828 . 17 1 1 A 73 73 LYS CB C 73 33.082 36.260 -3.178 1
1 832 . 17 1 1 A 73 73 LYS N N 73 120.614 123.323 -2.709 1
1 833 . 17 1 1 A 74 74 GLU H H 74 8.559 8.893 -0.334 1
1 834 . 17 1 1 A 74 74 GLU HA H 74 4.305 4.882 -0.577 1
1 839 . 17 1 1 A 74 74 GLU C C 74 176.648 174.953 1.695 1
1 840 . 17 1 1 A 74 74 GLU CA C 74 56.446 55.049 1.397 1
1 841 . 17 1 1 A 74 74 GLU CB C 74 30.215 34.261 -4.046 1
1 843 . 17 1 1 A 74 74 GLU N N 74 122.000 124.916 -2.916 1
1 844 . 17 1 1 A 75 75 SER H H 75 8.364 8.582 -0.218 1
1 845 . 17 1 1 A 75 75 SER HA H 75 4.450 5.337 -0.887 1
1 846 . 17 1 1 A 75 75 SER C C 75 174.540 174.029 0.511 1
1 847 . 17 1 1 A 75 75 SER CA C 75 58.538 57.180 1.358 1
1 848 . 17 1 1 A 75 75 SER CB C 75 63.977 65.689 -1.712 1
1 849 . 17 1 1 A 75 75 SER N N 75 116.992 117.687 -0.695 1
1 850 . 17 1 1 A 76 76 GLY H H 76 8.243 8.715 -0.472 1
1 851 . 17 1 1 A 76 76 GLY HA2 H 76 4.157 4.525 -0.368 1
1 852 . 17 1 1 A 76 76 GLY HA3 H 76 4.058 4.526 -0.468 1
1 853 . 17 1 1 A 76 76 GLY CA C 76 44.680 45.871 -1.191 1
1 854 . 17 1 1 A 76 76 GLY N N 76 110.704 112.842 -2.138 1
1 855 . 17 1 1 A 77 77 PRO HA H 77 4.463 4.542 -0.079 1
1 862 . 17 1 1 A 77 77 PRO C C 77 177.454 175.903 1.551 1
1 863 . 17 1 1 A 77 77 PRO CA C 77 63.202 62.750 0.452 1
1 864 . 17 1 1 A 77 77 PRO CB C 77 32.276 32.000 0.276 1
1 867 . 17 1 1 A 78 78 SER H H 78 8.535 8.686 -0.151 1
1 870 . 17 1 1 A 78 78 SER C C 78 174.735 173.365 1.370 1
1 871 . 17 1 1 A 78 78 SER CA C 78 58.373 57.635 0.738 1
1 872 . 17 1 1 A 78 78 SER CB C 78 63.977 64.114 -0.137 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.494 4.344 0.150 1
1 2 . 18 1 1 A 6 6 SER CA C 6 58.785 59.197 -0.412 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.483 63.679 -0.196 1
1 4 . 18 1 1 A 7 7 GLY H H 7 8.367 8.646 -0.279 1
1 5 . 18 1 1 A 7 7 GLY HA2 H 7 3.955 4.110 -0.155 1
1 6 . 18 1 1 A 7 7 GLY HA3 H 7 3.955 4.113 -0.158 1
1 7 . 18 1 1 A 7 7 GLY C C 7 173.640 172.601 1.039 1
1 8 . 18 1 1 A 7 7 GLY CA C 7 45.215 43.967 1.248 1
1 9 . 18 1 1 A 7 7 GLY N N 7 110.787 108.310 2.477 1
1 10 . 18 1 1 A 8 8 ALA H H 8 8.126 8.055 0.071 1
1 11 . 18 1 1 A 8 8 ALA HA H 8 4.458 4.808 -0.350 1
1 15 . 18 1 1 A 8 8 ALA C C 8 177.711 176.339 1.372 1
1 16 . 18 1 1 A 8 8 ALA CA C 8 52.493 51.100 1.393 1
1 17 . 18 1 1 A 8 8 ALA CB C 8 19.761 21.116 -1.355 1
1 18 . 18 1 1 A 8 8 ALA N N 8 123.680 122.844 0.836 1
1 19 . 18 1 1 A 9 9 THR H H 9 8.254 8.585 -0.331 1
1 20 . 18 1 1 A 9 9 THR HA H 9 4.527 4.874 -0.347 1
1 25 . 18 1 1 A 9 9 THR C C 9 174.050 173.172 0.878 1
1 26 . 18 1 1 A 9 9 THR CA C 9 61.874 61.580 0.294 1
1 27 . 18 1 1 A 9 9 THR CB C 9 70.580 71.551 -0.971 1
1 29 . 18 1 1 A 9 9 THR N N 9 113.196 113.999 -0.803 1
1 30 . 18 1 1 A 10 10 SER H H 10 8.264 8.904 -0.640 1
1 31 . 18 1 1 A 10 10 SER HA H 10 5.228 5.176 0.052 1
1 34 . 18 1 1 A 10 10 SER C C 10 173.318 173.259 0.059 1
1 35 . 18 1 1 A 10 10 SER CA C 10 58.404 58.763 -0.359 1
1 36 . 18 1 1 A 10 10 SER CB C 10 64.098 64.161 -0.063 1
1 37 . 18 1 1 A 10 10 SER N N 10 120.509 123.618 -3.109 1
1 38 . 18 1 1 A 11 11 TYR H H 11 8.957 8.806 0.151 1
1 39 . 18 1 1 A 11 11 TYR HA H 11 4.793 5.147 -0.354 1
1 46 . 18 1 1 A 11 11 TYR C C 11 174.111 174.279 -0.168 1
1 47 . 18 1 1 A 11 11 TYR CA C 11 57.097 56.537 0.560 1
1 48 . 18 1 1 A 11 11 TYR CB C 11 43.764 42.998 0.766 1
1 53 . 18 1 1 A 11 11 TYR N N 11 124.069 123.578 0.491 1
1 54 . 18 1 1 A 12 12 MET H H 12 8.985 8.403 0.582 1
1 55 . 18 1 1 A 12 12 MET HA H 12 5.463 5.163 0.300 1
1 63 . 18 1 1 A 12 12 MET C C 12 177.045 175.533 1.512 1
1 64 . 18 1 1 A 12 12 MET CA C 12 52.215 53.970 -1.755 1
1 65 . 18 1 1 A 12 12 MET CB C 12 33.195 35.510 -2.315 1
1 68 . 18 1 1 A 12 12 MET N N 12 118.428 121.949 -3.521 1
1 69 . 18 1 1 A 13 13 THR H H 13 9.132 8.753 0.379 1
1 70 . 18 1 1 A 13 13 THR HA H 13 4.872 4.784 0.088 1
1 75 . 18 1 1 A 13 13 THR C C 13 177.032 173.972 3.060 1
1 76 . 18 1 1 A 13 13 THR CA C 13 60.003 61.016 -1.013 1
1 77 . 18 1 1 A 13 13 THR CB C 13 69.597 69.874 -0.277 1
1 79 . 18 1 1 A 13 13 THR N N 13 113.981 116.268 -2.287 1
1 80 . 18 1 1 A 14 14 CYS H H 14 9.504 8.519 0.985 1
1 81 . 18 1 1 A 14 14 CYS HA H 14 4.806 4.583 0.223 1
1 84 . 18 1 1 A 14 14 CYS C C 14 173.712 174.382 -0.670 1
1 85 . 18 1 1 A 14 14 CYS CA C 14 57.209 59.295 -2.086 1
1 86 . 18 1 1 A 14 14 CYS CB C 14 28.772 29.485 -0.713 1
1 87 . 18 1 1 A 14 14 CYS N N 14 122.485 121.407 1.078 1
1 88 . 18 1 1 A 15 15 SER H H 15 7.796 7.931 -0.135 1
1 89 . 18 1 1 A 15 15 SER HA H 15 4.578 4.957 -0.379 1
1 92 . 18 1 1 A 15 15 SER C C 15 171.037 173.169 -2.132 1
1 93 . 18 1 1 A 15 15 SER CA C 15 56.858 56.128 0.730 1
1 94 . 18 1 1 A 15 15 SER CB C 15 66.124 65.829 0.295 1
1 95 . 18 1 1 A 15 15 SER N N 15 116.311 112.721 3.590 1
1 96 . 18 1 1 A 16 16 ALA H H 16 8.398 8.475 -0.077 1
1 97 . 18 1 1 A 16 16 ALA HA H 16 4.582 4.760 -0.178 1
1 101 . 18 1 1 A 16 16 ALA C C 16 176.897 176.154 0.743 1
1 102 . 18 1 1 A 16 16 ALA CA C 16 52.085 51.782 0.303 1
1 103 . 18 1 1 A 16 16 ALA CB C 16 19.720 19.235 0.485 1
1 104 . 18 1 1 A 16 16 ALA N N 16 124.071 126.400 -2.329 1
1 105 . 18 1 1 A 17 17 TYR H H 17 8.401 8.081 0.320 1
1 106 . 18 1 1 A 17 17 TYR HA H 17 4.384 4.813 -0.429 1
1 113 . 18 1 1 A 17 17 TYR C C 17 173.836 173.798 0.038 1
1 114 . 18 1 1 A 17 17 TYR CA C 17 57.801 57.612 0.189 1
1 115 . 18 1 1 A 17 17 TYR CB C 17 42.166 40.439 1.727 1
1 120 . 18 1 1 A 17 17 TYR N N 17 121.997 126.133 -4.136 1
1 121 . 18 1 1 A 18 18 GLN H H 18 6.844 7.936 -1.092 1
1 122 . 18 1 1 A 18 18 GLN HA H 18 4.318 4.617 -0.299 1
1 129 . 18 1 1 A 18 18 GLN C C 18 172.990 174.918 -1.928 1
1 130 . 18 1 1 A 18 18 GLN CA C 18 52.767 53.266 -0.499 1
1 131 . 18 1 1 A 18 18 GLN CB C 18 29.940 31.483 -1.543 1
1 133 . 18 1 1 A 18 18 GLN N N 18 127.603 126.623 0.980 1
1 135 . 18 1 1 A 19 19 LYS H H 19 8.155 8.407 -0.252 1
1 136 . 18 1 1 A 19 19 LYS HA H 19 4.130 4.639 -0.509 1
1 145 . 18 1 1 A 19 19 LYS C C 19 175.995 176.782 -0.787 1
1 146 . 18 1 1 A 19 19 LYS CA C 19 56.489 56.156 0.333 1
1 147 . 18 1 1 A 19 19 LYS CB C 19 33.369 33.071 0.298 1
1 151 . 18 1 1 A 19 19 LYS N N 19 123.114 123.805 -0.691 1
1 152 . 18 1 1 A 20 20 VAL H H 20 8.679 8.885 -0.206 1
1 153 . 18 1 1 A 20 20 VAL HA H 20 4.153 3.932 0.221 1
1 161 . 18 1 1 A 20 20 VAL C C 20 176.493 176.138 0.355 1
1 162 . 18 1 1 A 20 20 VAL CA C 20 62.520 64.460 -1.940 1
1 163 . 18 1 1 A 20 20 VAL CB C 20 32.847 32.583 0.264 1
1 166 . 18 1 1 A 20 20 VAL N N 20 120.106 123.445 -3.339 1
1 167 . 18 1 1 A 21 21 GLN H H 21 7.133 8.020 -0.887 1
1 168 . 18 1 1 A 21 21 GLN HA H 21 4.582 4.710 -0.128 1
1 175 . 18 1 1 A 21 21 GLN C C 21 177.019 176.570 0.449 1
1 176 . 18 1 1 A 21 21 GLN CA C 21 54.291 54.456 -0.165 1
1 177 . 18 1 1 A 21 21 GLN CB C 21 31.023 31.438 -0.415 1
1 179 . 18 1 1 A 21 21 GLN N N 21 116.079 119.159 -3.080 1
1 181 . 18 1 1 A 22 22 ASP H H 22 8.858 9.021 -0.163 1
1 182 . 18 1 1 A 22 22 ASP HA H 22 4.318 4.376 -0.058 1
1 185 . 18 1 1 A 22 22 ASP C C 22 176.746 178.362 -1.616 1
1 186 . 18 1 1 A 22 22 ASP CA C 22 57.752 56.813 0.939 1
1 187 . 18 1 1 A 22 22 ASP CB C 22 40.859 39.909 0.950 1
1 188 . 18 1 1 A 22 22 ASP N N 22 120.173 122.202 -2.029 1
1 189 . 18 1 1 A 23 23 SER H H 23 7.860 7.958 -0.098 1
1 190 . 18 1 1 A 23 23 SER HA H 23 4.648 4.471 0.177 1
1 193 . 18 1 1 A 23 23 SER C C 23 175.526 174.778 0.748 1
1 194 . 18 1 1 A 23 23 SER CA C 23 58.597 61.597 -3.000 1
1 195 . 18 1 1 A 23 23 SER CB C 23 62.993 63.386 -0.393 1
1 196 . 18 1 1 A 23 23 SER N N 23 110.013 114.393 -4.380 1
1 197 . 18 1 1 A 24 24 GLU H H 24 7.579 8.422 -0.843 1
1 198 . 18 1 1 A 24 24 GLU HA H 24 5.574 4.897 0.677 1
1 203 . 18 1 1 A 24 24 GLU C C 24 174.394 175.389 -0.995 1
1 204 . 18 1 1 A 24 24 GLU CA C 24 55.633 55.521 0.112 1
1 205 . 18 1 1 A 24 24 GLU CB C 24 32.848 31.165 1.683 1
1 207 . 18 1 1 A 24 24 GLU N N 24 122.542 119.285 3.257 1
1 208 . 18 1 1 A 25 25 ILE H H 25 7.894 8.921 -1.027 1
1 209 . 18 1 1 A 25 25 ILE HA H 25 4.661 4.951 -0.290 1
1 219 . 18 1 1 A 25 25 ILE C C 25 171.519 174.258 -2.739 1
1 220 . 18 1 1 A 25 25 ILE CA C 25 58.838 59.497 -0.659 1
1 221 . 18 1 1 A 25 25 ILE CB C 25 42.673 42.255 0.418 1
1 225 . 18 1 1 A 25 25 ILE N N 25 117.944 123.224 -5.280 1
1 226 . 18 1 1 A 26 26 SER H H 26 7.535 9.111 -1.576 1
1 227 . 18 1 1 A 26 26 SER HA H 26 4.885 5.117 -0.232 1
1 230 . 18 1 1 A 26 26 SER C C 26 174.052 174.040 0.012 1
1 231 . 18 1 1 A 26 26 SER CA C 26 56.515 57.360 -0.845 1
1 232 . 18 1 1 A 26 26 SER CB C 26 65.131 64.865 0.266 1
1 233 . 18 1 1 A 26 26 SER N N 26 116.426 124.031 -7.605 1
1 234 . 18 1 1 A 27 27 PHE H H 27 8.271 8.375 -0.104 1
1 235 . 18 1 1 A 27 27 PHE HA H 27 4.934 5.183 -0.249 1
1 243 . 18 1 1 A 27 27 PHE C C 27 173.278 173.116 0.162 1
1 244 . 18 1 1 A 27 27 PHE CA C 27 53.758 54.830 -1.072 1
1 245 . 18 1 1 A 27 27 PHE CB C 27 37.379 41.697 -4.318 1
1 251 . 18 1 1 A 27 27 PHE N N 27 116.221 118.801 -2.580 1
1 252 . 18 1 1 A 28 28 PRO HA H 28 4.872 4.649 0.223 1
1 259 . 18 1 1 A 28 28 PRO C C 28 176.165 175.516 0.649 1
1 260 . 18 1 1 A 28 28 PRO CA C 28 61.019 62.509 -1.490 1
1 261 . 18 1 1 A 28 28 PRO CB C 28 32.410 32.887 -0.477 1
1 264 . 18 1 1 A 29 29 ALA H H 29 8.513 8.346 0.167 1
1 265 . 18 1 1 A 29 29 ALA HA H 29 3.822 4.649 -0.827 1
1 269 . 18 1 1 A 29 29 ALA C C 29 178.074 177.999 0.075 1
1 270 . 18 1 1 A 29 29 ALA CA C 29 52.670 52.525 0.145 1
1 271 . 18 1 1 A 29 29 ALA CB C 29 19.721 19.753 -0.032 1
1 272 . 18 1 1 A 29 29 ALA N N 29 120.286 124.060 -3.774 1
1 273 . 18 1 1 A 30 30 GLY H H 30 8.022 8.574 -0.552 1
1 274 . 18 1 1 A 30 30 GLY HA2 H 30 3.956 4.099 -0.143 1
1 275 . 18 1 1 A 30 30 GLY HA3 H 30 3.733 4.104 -0.371 1
1 276 . 18 1 1 A 30 30 GLY C C 30 174.944 173.994 0.950 1
1 277 . 18 1 1 A 30 30 GLY CA C 30 46.739 45.126 1.613 1
1 278 . 18 1 1 A 30 30 GLY N N 30 110.746 111.256 -0.510 1
1 279 . 18 1 1 A 31 31 VAL H H 31 7.736 7.639 0.097 1
1 280 . 18 1 1 A 31 31 VAL HA H 31 4.753 4.820 -0.067 1
1 288 . 18 1 1 A 31 31 VAL C C 31 173.642 174.239 -0.597 1
1 289 . 18 1 1 A 31 31 VAL CA C 31 58.809 59.204 -0.395 1
1 290 . 18 1 1 A 31 31 VAL CB C 31 34.719 35.155 -0.436 1
1 293 . 18 1 1 A 31 31 VAL N N 31 112.109 116.060 -3.951 1
1 294 . 18 1 1 A 32 32 GLU H H 32 8.264 8.854 -0.590 1
1 295 . 18 1 1 A 32 32 GLU HA H 32 5.090 5.047 0.043 1
1 300 . 18 1 1 A 32 32 GLU C C 32 176.725 175.983 0.742 1
1 301 . 18 1 1 A 32 32 GLU CA C 32 55.713 55.363 0.350 1
1 302 . 18 1 1 A 32 32 GLU CB C 32 31.615 31.332 0.283 1
1 304 . 18 1 1 A 32 32 GLU N N 32 121.304 123.108 -1.804 1
1 305 . 18 1 1 A 33 33 VAL H H 33 9.136 8.739 0.397 1
1 306 . 18 1 1 A 33 33 VAL HA H 33 5.001 5.053 -0.052 1
1 314 . 18 1 1 A 33 33 VAL C C 33 174.395 173.382 1.013 1
1 315 . 18 1 1 A 33 33 VAL CA C 33 58.765 58.860 -0.095 1
1 316 . 18 1 1 A 33 33 VAL CB C 33 34.596 36.047 -1.451 1
1 319 . 18 1 1 A 33 33 VAL N N 33 117.728 119.597 -1.869 1
1 320 . 18 1 1 A 34 34 GLN H H 34 8.551 8.634 -0.083 1
1 321 . 18 1 1 A 34 34 GLN HA H 34 5.052 5.105 -0.053 1
1 328 . 18 1 1 A 34 34 GLN C C 34 175.752 174.256 1.496 1
1 329 . 18 1 1 A 34 34 GLN CA C 34 54.328 54.136 0.192 1
1 330 . 18 1 1 A 34 34 GLN CB C 34 30.760 31.965 -1.205 1
1 332 . 18 1 1 A 34 34 GLN N N 34 119.032 121.130 -2.098 1
1 334 . 18 1 1 A 35 35 VAL H H 35 9.180 8.966 0.214 1
1 335 . 18 1 1 A 35 35 VAL HA H 35 4.144 4.081 0.063 1
1 343 . 18 1 1 A 35 35 VAL C C 35 175.602 175.262 0.340 1
1 344 . 18 1 1 A 35 35 VAL CA C 35 63.035 63.080 -0.045 1
1 345 . 18 1 1 A 35 35 VAL CB C 35 32.056 30.871 1.185 1
1 348 . 18 1 1 A 35 35 VAL N N 35 124.135 127.555 -3.420 1
1 349 . 18 1 1 A 36 36 LEU H H 36 9.175 9.026 0.149 1
1 350 . 18 1 1 A 36 36 LEU HA H 36 4.429 4.118 0.311 1
1 360 . 18 1 1 A 36 36 LEU C C 36 177.299 176.578 0.721 1
1 361 . 18 1 1 A 36 36 LEU CA C 36 55.785 57.382 -1.597 1
1 362 . 18 1 1 A 36 36 LEU CB C 36 42.924 42.456 0.468 1
1 366 . 18 1 1 A 36 36 LEU N N 36 129.320 129.480 -0.160 1
1 367 . 18 1 1 A 37 37 GLU H H 37 7.569 7.868 -0.299 1
1 368 . 18 1 1 A 37 37 GLU HA H 37 4.414 4.797 -0.383 1
1 373 . 18 1 1 A 37 37 GLU C C 37 174.132 174.118 0.014 1
1 374 . 18 1 1 A 37 37 GLU CA C 37 56.244 55.037 1.207 1
1 375 . 18 1 1 A 37 37 GLU CB C 37 33.236 33.284 -0.048 1
1 377 . 18 1 1 A 37 37 GLU N N 37 116.925 114.641 2.284 1
1 378 . 18 1 1 A 38 38 LYS H H 38 8.693 8.456 0.237 1
1 379 . 18 1 1 A 38 38 LYS HA H 38 4.181 5.129 -0.948 1
1 388 . 18 1 1 A 38 38 LYS C C 38 175.877 175.257 0.620 1
1 389 . 18 1 1 A 38 38 LYS CA C 38 55.579 54.725 0.854 1
1 390 . 18 1 1 A 38 38 LYS CB C 38 34.965 35.783 -0.818 1
1 394 . 18 1 1 A 38 38 LYS N N 38 124.828 122.167 2.661 1
1 395 . 18 1 1 A 39 39 GLN H H 39 7.682 8.679 -0.997 1
1 396 . 18 1 1 A 39 39 GLN HA H 39 4.896 4.833 0.063 1
1 403 . 18 1 1 A 39 39 GLN C C 39 177.964 176.575 1.389 1
1 404 . 18 1 1 A 39 39 GLN CA C 39 55.324 54.852 0.472 1
1 405 . 18 1 1 A 39 39 GLN CB C 39 31.670 31.188 0.482 1
1 407 . 18 1 1 A 39 39 GLN N N 39 119.391 122.284 -2.893 1
1 409 . 18 1 1 A 40 40 GLU HA H 40 4.308 4.000 0.308 1
1 414 . 18 1 1 A 40 40 GLU C C 40 176.777 178.225 -1.448 1
1 415 . 18 1 1 A 40 40 GLU CA C 40 58.541 60.108 -1.567 1
1 416 . 18 1 1 A 40 40 GLU CB C 40 29.363 29.567 -0.204 1
1 418 . 18 1 1 A 41 41 SER H H 41 7.986 8.158 -0.172 1
1 419 . 18 1 1 A 41 41 SER HA H 41 4.413 4.263 0.150 1
1 422 . 18 1 1 A 41 41 SER C C 41 175.434 174.682 0.752 1
1 423 . 18 1 1 A 41 41 SER CA C 41 58.707 61.203 -2.496 1
1 424 . 18 1 1 A 41 41 SER CB C 41 63.871 63.636 0.235 1
1 425 . 18 1 1 A 41 41 SER N N 41 113.216 114.946 -1.730 1
1 426 . 18 1 1 A 42 42 GLY H H 42 8.135 7.630 0.505 1
1 427 . 18 1 1 A 42 42 GLY HA2 H 42 4.347 4.030 0.317 1
1 428 . 18 1 1 A 42 42 GLY HA3 H 42 3.625 4.152 -0.527 1
1 429 . 18 1 1 A 42 42 GLY C C 42 173.338 174.515 -1.177 1
1 430 . 18 1 1 A 42 42 GLY CA C 42 44.998 45.480 -0.482 1
1 431 . 18 1 1 A 42 42 GLY N N 42 108.513 107.939 0.574 1
1 432 . 18 1 1 A 43 43 TRP H H 43 7.820 8.031 -0.211 1
1 433 . 18 1 1 A 43 43 TRP HA H 43 4.942 4.596 0.346 1
1 442 . 18 1 1 A 43 43 TRP C C 43 174.648 176.513 -1.865 1
1 443 . 18 1 1 A 43 43 TRP CA C 43 57.245 58.053 -0.808 1
1 444 . 18 1 1 A 43 43 TRP CB C 43 30.102 29.878 0.224 1
1 450 . 18 1 1 A 43 43 TRP N N 43 122.320 120.961 1.359 1
1 452 . 18 1 1 A 44 44 TRP H H 44 9.769 8.888 0.881 1
1 453 . 18 1 1 A 44 44 TRP HA H 44 5.875 5.485 0.390 1
1 462 . 18 1 1 A 44 44 TRP C C 44 173.703 175.051 -1.348 1
1 463 . 18 1 1 A 44 44 TRP CA C 44 53.298 54.920 -1.622 1
1 464 . 18 1 1 A 44 44 TRP CB C 44 32.961 31.868 1.093 1
1 470 . 18 1 1 A 44 44 TRP N N 44 125.138 124.151 0.987 1
1 472 . 18 1 1 A 45 45 TYR H H 45 9.168 8.868 0.300 1
1 473 . 18 1 1 A 45 45 TYR HA H 45 4.173 4.217 -0.044 1
1 480 . 18 1 1 A 45 45 TYR C C 45 175.086 174.740 0.346 1
1 481 . 18 1 1 A 45 45 TYR CA C 45 58.044 56.528 1.516 1
1 482 . 18 1 1 A 45 45 TYR CB C 45 38.792 38.237 0.555 1
1 487 . 18 1 1 A 45 45 TYR N N 45 127.429 126.042 1.387 1
1 488 . 18 1 1 A 46 46 VAL H H 46 8.689 8.511 0.178 1
1 489 . 18 1 1 A 46 46 VAL HA H 46 5.142 5.216 -0.074 1
1 497 . 18 1 1 A 46 46 VAL C C 46 172.384 173.584 -1.200 1
1 498 . 18 1 1 A 46 46 VAL CA C 46 59.010 59.394 -0.384 1
1 499 . 18 1 1 A 46 46 VAL CB C 46 35.502 34.112 1.390 1
1 502 . 18 1 1 A 46 46 VAL N N 46 124.245 122.080 2.165 1
1 503 . 18 1 1 A 47 47 ARG H H 47 9.049 8.204 0.845 1
1 504 . 18 1 1 A 47 47 ARG HA H 47 5.163 5.075 0.088 1
1 512 . 18 1 1 A 47 47 ARG C C 47 175.057 174.022 1.035 1
1 513 . 18 1 1 A 47 47 ARG CA C 47 54.158 54.361 -0.203 1
1 514 . 18 1 1 A 47 47 ARG CB C 47 34.146 33.590 0.556 1
1 517 . 18 1 1 A 47 47 ARG N N 47 120.700 121.483 -0.783 1
1 519 . 18 1 1 A 48 48 PHE H H 48 9.042 9.316 -0.274 1
1 520 . 18 1 1 A 48 48 PHE HA H 48 5.296 4.756 0.540 1
1 528 . 18 1 1 A 48 48 PHE C C 48 175.133 175.638 -0.505 1
1 529 . 18 1 1 A 48 48 PHE CA C 48 54.446 57.104 -2.658 1
1 530 . 18 1 1 A 48 48 PHE CB C 48 40.369 41.079 -0.710 1
1 536 . 18 1 1 A 48 48 PHE N N 48 128.029 127.978 0.051 1
1 537 . 18 1 1 A 49 49 GLY H H 49 9.103 8.824 0.279 1
1 538 . 18 1 1 A 49 49 GLY HA2 H 49 3.644 3.558 0.086 1
1 539 . 18 1 1 A 49 49 GLY HA3 H 49 3.503 3.691 -0.188 1
1 540 . 18 1 1 A 49 49 GLY C C 49 174.287 174.564 -0.277 1
1 541 . 18 1 1 A 49 49 GLY CA C 49 47.008 47.140 -0.132 1
1 542 . 18 1 1 A 49 49 GLY N N 49 118.890 115.984 2.906 1
1 543 . 18 1 1 A 50 50 GLU H H 50 8.920 8.639 0.281 1
1 544 . 18 1 1 A 50 50 GLU HA H 50 4.333 4.511 -0.178 1
1 549 . 18 1 1 A 50 50 GLU C C 50 176.000 174.972 1.028 1
1 550 . 18 1 1 A 50 50 GLU CA C 50 56.080 55.487 0.593 1
1 551 . 18 1 1 A 50 50 GLU CB C 50 30.022 30.521 -0.499 1
1 553 . 18 1 1 A 50 50 GLU N N 50 125.280 126.065 -0.785 1
1 554 . 18 1 1 A 51 51 LEU H H 51 7.792 7.415 0.377 1
1 555 . 18 1 1 A 51 51 LEU HA H 51 4.635 4.945 -0.310 1
1 565 . 18 1 1 A 51 51 LEU C C 51 175.050 174.933 0.117 1
1 566 . 18 1 1 A 51 51 LEU CA C 51 54.074 53.645 0.429 1
1 567 . 18 1 1 A 51 51 LEU CB C 51 44.171 47.490 -3.319 1
1 571 . 18 1 1 A 51 51 LEU N N 51 121.706 120.934 0.772 1
1 572 . 18 1 1 A 52 52 GLU H H 52 8.165 8.866 -0.701 1
1 573 . 18 1 1 A 52 52 GLU HA H 52 5.476 5.127 0.349 1
1 578 . 18 1 1 A 52 52 GLU C C 52 176.062 175.410 0.652 1
1 579 . 18 1 1 A 52 52 GLU CA C 52 53.810 54.578 -0.768 1
1 580 . 18 1 1 A 52 52 GLU CB C 52 33.486 32.077 1.409 1
1 582 . 18 1 1 A 52 52 GLU N N 52 116.700 120.604 -3.904 1
1 583 . 18 1 1 A 53 53 GLY H H 53 8.091 8.445 -0.354 1
1 584 . 18 1 1 A 53 53 GLY HA2 H 53 3.882 4.525 -0.643 1
1 585 . 18 1 1 A 53 53 GLY HA3 H 53 3.730 4.577 -0.847 1
1 586 . 18 1 1 A 53 53 GLY C C 53 170.279 171.715 -1.436 1
1 587 . 18 1 1 A 53 53 GLY CA C 53 45.344 44.452 0.892 1
1 588 . 18 1 1 A 53 53 GLY N N 53 106.613 110.930 -4.317 1
1 589 . 18 1 1 A 54 54 TRP H H 54 8.595 9.016 -0.421 1
1 590 . 18 1 1 A 54 54 TRP HA H 54 5.348 5.429 -0.081 1
1 599 . 18 1 1 A 54 54 TRP C C 54 175.873 176.809 -0.936 1
1 600 . 18 1 1 A 54 54 TRP CA C 54 57.602 57.484 0.118 1
1 601 . 18 1 1 A 54 54 TRP CB C 54 31.176 30.541 0.635 1
1 607 . 18 1 1 A 54 54 TRP N N 54 120.550 121.075 -0.525 1
1 609 . 18 1 1 A 55 55 ALA H H 55 9.993 9.094 0.899 1
1 610 . 18 1 1 A 55 55 ALA HA H 55 4.978 4.321 0.657 1
1 614 . 18 1 1 A 55 55 ALA C C 55 173.642 174.419 -0.777 1
1 615 . 18 1 1 A 55 55 ALA CA C 55 49.335 49.015 0.320 1
1 616 . 18 1 1 A 55 55 ALA CB C 55 22.101 21.848 0.253 1
1 617 . 18 1 1 A 55 55 ALA N N 55 122.386 127.259 -4.873 1
1 618 . 18 1 1 A 56 56 PRO HA H 56 3.586 3.998 -0.412 1
1 625 . 18 1 1 A 56 56 PRO C C 56 178.765 177.147 1.618 1
1 626 . 18 1 1 A 56 56 PRO CA C 56 61.218 62.099 -0.881 1
1 627 . 18 1 1 A 56 56 PRO CB C 56 30.430 31.936 -1.506 1
1 630 . 18 1 1 A 57 57 SER H H 57 8.187 7.661 0.526 1
1 631 . 18 1 1 A 57 57 SER HA H 57 2.721 3.157 -0.436 1
1 634 . 18 1 1 A 57 57 SER C C 57 175.094 175.918 -0.824 1
1 635 . 18 1 1 A 57 57 SER CA C 57 60.865 60.273 0.592 1
1 636 . 18 1 1 A 57 57 SER CB C 57 60.645 61.078 -0.433 1
1 637 . 18 1 1 A 57 57 SER N N 57 120.088 120.159 -0.071 1
1 638 . 18 1 1 A 58 58 HIS H H 58 7.482 7.143 0.339 1
1 639 . 18 1 1 A 58 58 HIS HA H 58 4.433 4.225 0.208 1
1 644 . 18 1 1 A 58 58 HIS C C 58 175.763 177.519 -1.756 1
1 645 . 18 1 1 A 58 58 HIS CA C 58 56.938 58.487 -1.549 1
1 646 . 18 1 1 A 58 58 HIS CB C 58 28.597 29.630 -1.033 1
1 649 . 18 1 1 A 58 58 HIS N N 58 115.490 118.884 -3.394 1
1 650 . 18 1 1 A 59 59 TYR H H 59 7.251 7.718 -0.467 1
1 651 . 18 1 1 A 59 59 TYR HA H 59 4.366 4.455 -0.089 1
1 658 . 18 1 1 A 59 59 TYR C C 59 173.874 175.658 -1.784 1
1 659 . 18 1 1 A 59 59 TYR CA C 59 58.862 60.325 -1.463 1
1 660 . 18 1 1 A 59 59 TYR CB C 59 36.586 39.133 -2.547 1
1 665 . 18 1 1 A 59 59 TYR N N 59 120.460 116.623 3.837 1
1 666 . 18 1 1 A 60 60 LEU H H 60 7.574 7.259 0.315 1
1 667 . 18 1 1 A 60 60 LEU HA H 60 4.964 4.410 0.554 1
1 677 . 18 1 1 A 60 60 LEU C C 60 175.663 176.203 -0.540 1
1 678 . 18 1 1 A 60 60 LEU CA C 60 53.709 54.039 -0.330 1
1 679 . 18 1 1 A 60 60 LEU CB C 60 42.879 43.080 -0.201 1
1 683 . 18 1 1 A 60 60 LEU N N 60 121.690 119.974 1.716 1
1 684 . 18 1 1 A 61 61 VAL H H 61 9.082 8.870 0.212 1
1 685 . 18 1 1 A 61 61 VAL HA H 61 4.309 4.403 -0.094 1
1 693 . 18 1 1 A 61 61 VAL C C 61 174.803 175.870 -1.067 1
1 694 . 18 1 1 A 61 61 VAL CA C 61 61.381 61.978 -0.597 1
1 695 . 18 1 1 A 61 61 VAL CB C 61 33.607 32.605 1.002 1
1 698 . 18 1 1 A 61 61 VAL N N 61 119.010 124.534 -5.524 1
1 699 . 18 1 1 A 62 62 LEU H H 62 8.307 8.702 -0.395 1
1 700 . 18 1 1 A 62 62 LEU HA H 62 4.288 4.790 -0.502 1
1 710 . 18 1 1 A 62 62 LEU C C 62 176.976 176.476 0.500 1
1 711 . 18 1 1 A 62 62 LEU CA C 62 54.807 54.313 0.494 1
1 712 . 18 1 1 A 62 62 LEU CB C 62 42.932 42.296 0.636 1
1 716 . 18 1 1 A 62 62 LEU N N 62 127.895 129.042 -1.147 1
1 717 . 18 1 1 A 63 63 ASP H H 63 8.475 8.611 -0.136 1
1 718 . 18 1 1 A 63 63 ASP HA H 63 4.595 4.995 -0.400 1
1 721 . 18 1 1 A 63 63 ASP C C 63 176.269 175.587 0.682 1
1 722 . 18 1 1 A 63 63 ASP CA C 63 53.903 53.391 0.512 1
1 723 . 18 1 1 A 63 63 ASP CB C 63 41.618 40.273 1.345 1
1 724 . 18 1 1 A 63 63 ASP N N 63 122.904 121.142 1.762 1
1 725 . 18 1 1 A 64 64 GLU H H 64 8.528 8.611 -0.083 1
1 726 . 18 1 1 A 64 64 GLU HA H 64 4.220 4.702 -0.482 1
1 731 . 18 1 1 A 64 64 GLU C C 64 176.504 176.260 0.244 1
1 732 . 18 1 1 A 64 64 GLU CA C 64 57.043 55.653 1.390 1
1 733 . 18 1 1 A 64 64 GLU CB C 64 30.214 30.483 -0.269 1
1 735 . 18 1 1 A 64 64 GLU N N 64 122.471 123.707 -1.236 1
1 736 . 18 1 1 A 65 65 ASN H H 65 8.523 8.225 0.298 1
1 737 . 18 1 1 A 65 65 ASN HA H 65 4.661 4.953 -0.292 1
1 742 . 18 1 1 A 65 65 ASN C C 65 175.223 174.552 0.671 1
1 743 . 18 1 1 A 65 65 ASN CA C 65 53.674 52.058 1.616 1
1 744 . 18 1 1 A 65 65 ASN CB C 65 39.088 38.790 0.298 1
1 745 . 18 1 1 A 65 65 ASN N N 65 118.895 119.367 -0.472 1
1 747 . 18 1 1 A 66 66 GLU H H 66 8.222 7.805 0.417 1
1 748 . 18 1 1 A 66 66 GLU HA H 66 4.293 4.889 -0.596 1
1 753 . 18 1 1 A 66 66 GLU C C 66 176.054 175.227 0.827 1
1 754 . 18 1 1 A 66 66 GLU CA C 66 56.432 54.741 1.691 1
1 755 . 18 1 1 A 66 66 GLU CB C 66 30.476 34.222 -3.746 1
1 757 . 18 1 1 A 66 66 GLU N N 66 120.919 119.137 1.782 1
1 758 . 18 1 1 A 67 67 GLN H H 67 8.293 8.591 -0.298 1
1 759 . 18 1 1 A 67 67 GLN HA H 67 4.582 4.999 -0.417 1
1 766 . 18 1 1 A 67 67 GLN C C 67 173.836 172.911 0.925 1
1 767 . 18 1 1 A 67 67 GLN CA C 67 53.593 53.134 0.459 1
1 768 . 18 1 1 A 67 67 GLN CB C 67 28.949 29.619 -0.670 1
1 770 . 18 1 1 A 67 67 GLN N N 67 122.295 120.727 1.568 1
1 772 . 18 1 1 A 68 68 PRO HA H 68 4.401 4.595 -0.194 1
1 779 . 18 1 1 A 68 68 PRO CA C 68 62.882 62.565 0.317 1
1 780 . 18 1 1 A 68 68 PRO CB C 68 32.175 32.103 0.072 1
1 783 . 18 1 1 A 69 69 ASP H H 69 8.502 8.464 0.038 1
1 784 . 18 1 1 A 69 69 ASP HA H 69 4.836 4.900 -0.064 1
1 787 . 18 1 1 A 69 69 ASP CA C 69 51.945 52.631 -0.686 1
1 788 . 18 1 1 A 69 69 ASP CB C 69 41.305 40.558 0.747 1
1 789 . 18 1 1 A 69 69 ASP N N 69 121.937 120.364 1.573 1
1 790 . 18 1 1 A 70 70 PRO HA H 70 4.437 4.632 -0.195 1
1 797 . 18 1 1 A 70 70 PRO C C 70 177.484 175.031 2.453 1
1 798 . 18 1 1 A 70 70 PRO CA C 70 63.777 62.565 1.212 1
1 799 . 18 1 1 A 70 70 PRO CB C 70 32.027 33.082 -1.055 1
1 802 . 18 1 1 A 71 71 SER H H 71 8.506 8.675 -0.169 1
1 803 . 18 1 1 A 71 71 SER HA H 71 4.364 4.761 -0.397 1
1 806 . 18 1 1 A 71 71 SER C C 71 175.439 172.954 2.485 1
1 807 . 18 1 1 A 71 71 SER CA C 71 59.261 56.684 2.577 1
1 808 . 18 1 1 A 71 71 SER CB C 71 63.771 65.325 -1.554 1
1 809 . 18 1 1 A 71 71 SER N N 71 115.901 116.203 -0.302 1
1 810 . 18 1 1 A 72 72 GLY H H 72 8.258 8.527 -0.269 1
1 811 . 18 1 1 A 72 72 GLY HA2 H 72 3.958 3.977 -0.019 1
1 812 . 18 1 1 A 72 72 GLY HA3 H 72 3.958 3.977 -0.019 1
1 813 . 18 1 1 A 72 72 GLY C C 72 174.314 173.304 1.010 1
1 814 . 18 1 1 A 72 72 GLY CA C 72 45.469 46.529 -1.060 1
1 815 . 18 1 1 A 72 72 GLY N N 72 110.595 110.724 -0.129 1
1 816 . 18 1 1 A 73 73 LYS H H 73 8.052 7.809 0.243 1
1 817 . 18 1 1 A 73 73 LYS HA H 73 4.305 4.561 -0.256 1
1 826 . 18 1 1 A 73 73 LYS C C 73 176.792 176.298 0.494 1
1 827 . 18 1 1 A 73 73 LYS CA C 73 56.420 55.951 0.469 1
1 828 . 18 1 1 A 73 73 LYS CB C 73 33.082 32.334 0.748 1
1 832 . 18 1 1 A 73 73 LYS N N 73 120.614 123.240 -2.626 1
1 833 . 18 1 1 A 74 74 GLU H H 74 8.559 8.787 -0.228 1
1 834 . 18 1 1 A 74 74 GLU HA H 74 4.305 4.510 -0.205 1
1 839 . 18 1 1 A 74 74 GLU C C 74 176.648 176.163 0.485 1
1 840 . 18 1 1 A 74 74 GLU CA C 74 56.446 57.191 -0.745 1
1 841 . 18 1 1 A 74 74 GLU CB C 74 30.215 31.345 -1.130 1
1 843 . 18 1 1 A 74 74 GLU N N 74 122.000 125.050 -3.050 1
1 844 . 18 1 1 A 75 75 SER H H 75 8.364 7.509 0.855 1
1 845 . 18 1 1 A 75 75 SER HA H 75 4.450 4.351 0.099 1
1 846 . 18 1 1 A 75 75 SER C C 75 174.540 173.992 0.548 1
1 847 . 18 1 1 A 75 75 SER CA C 75 58.538 58.993 -0.455 1
1 848 . 18 1 1 A 75 75 SER CB C 75 63.977 63.551 0.426 1
1 849 . 18 1 1 A 75 75 SER N N 75 116.992 116.572 0.420 1
1 850 . 18 1 1 A 76 76 GLY H H 76 8.243 8.288 -0.045 1
1 851 . 18 1 1 A 76 76 GLY HA2 H 76 4.157 4.163 -0.006 1
1 852 . 18 1 1 A 76 76 GLY HA3 H 76 4.058 4.163 -0.105 1
1 853 . 18 1 1 A 76 76 GLY CA C 76 44.680 45.192 -0.512 1
1 854 . 18 1 1 A 76 76 GLY N N 76 110.704 113.225 -2.521 1
1 855 . 18 1 1 A 77 77 PRO HA H 77 4.463 4.482 -0.019 1
1 862 . 18 1 1 A 77 77 PRO C C 77 177.454 176.889 0.565 1
1 863 . 18 1 1 A 77 77 PRO CA C 77 63.202 62.882 0.320 1
1 864 . 18 1 1 A 77 77 PRO CB C 77 32.276 32.095 0.181 1
1 867 . 18 1 1 A 78 78 SER H H 78 8.535 8.551 -0.016 1
1 870 . 18 1 1 A 78 78 SER C C 78 174.735 173.812 0.923 1
1 871 . 18 1 1 A 78 78 SER CA C 78 58.373 58.829 -0.456 1
1 872 . 18 1 1 A 78 78 SER CB C 78 63.977 63.558 0.419 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.494 4.937 -0.443 1
1 2 . 19 1 1 A 6 6 SER CA C 6 58.785 56.753 2.032 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.483 65.024 -1.541 1
1 4 . 19 1 1 A 7 7 GLY H H 7 8.367 8.468 -0.101 1
1 5 . 19 1 1 A 7 7 GLY HA2 H 7 3.955 4.012 -0.057 1
1 6 . 19 1 1 A 7 7 GLY HA3 H 7 3.955 4.013 -0.058 1
1 7 . 19 1 1 A 7 7 GLY C C 7 173.640 173.519 0.121 1
1 8 . 19 1 1 A 7 7 GLY CA C 7 45.215 44.602 0.613 1
1 9 . 19 1 1 A 7 7 GLY N N 7 110.787 109.519 1.268 1
1 10 . 19 1 1 A 8 8 ALA H H 8 8.126 8.066 0.060 1
1 11 . 19 1 1 A 8 8 ALA HA H 8 4.458 4.720 -0.262 1
1 15 . 19 1 1 A 8 8 ALA C C 8 177.711 176.164 1.547 1
1 16 . 19 1 1 A 8 8 ALA CA C 8 52.493 51.072 1.421 1
1 17 . 19 1 1 A 8 8 ALA CB C 8 19.761 21.200 -1.439 1
1 18 . 19 1 1 A 8 8 ALA N N 8 123.680 123.395 0.285 1
1 19 . 19 1 1 A 9 9 THR H H 9 8.254 8.739 -0.485 1
1 20 . 19 1 1 A 9 9 THR HA H 9 4.527 4.940 -0.413 1
1 25 . 19 1 1 A 9 9 THR C C 9 174.050 173.689 0.361 1
1 26 . 19 1 1 A 9 9 THR CA C 9 61.874 61.264 0.610 1
1 27 . 19 1 1 A 9 9 THR CB C 9 70.580 72.136 -1.556 1
1 29 . 19 1 1 A 9 9 THR N N 9 113.196 112.305 0.891 1
1 30 . 19 1 1 A 10 10 SER H H 10 8.264 8.996 -0.732 1
1 31 . 19 1 1 A 10 10 SER HA H 10 5.228 5.776 -0.548 1
1 34 . 19 1 1 A 10 10 SER C C 10 173.318 173.576 -0.258 1
1 35 . 19 1 1 A 10 10 SER CA C 10 58.404 57.028 1.376 1
1 36 . 19 1 1 A 10 10 SER CB C 10 64.098 64.772 -0.674 1
1 37 . 19 1 1 A 10 10 SER N N 10 120.509 120.179 0.330 1
1 38 . 19 1 1 A 11 11 TYR H H 11 8.957 8.982 -0.025 1
1 39 . 19 1 1 A 11 11 TYR HA H 11 4.793 5.215 -0.422 1
1 46 . 19 1 1 A 11 11 TYR C C 11 174.111 174.139 -0.028 1
1 47 . 19 1 1 A 11 11 TYR CA C 11 57.097 56.488 0.609 1
1 48 . 19 1 1 A 11 11 TYR CB C 11 43.764 42.693 1.071 1
1 53 . 19 1 1 A 11 11 TYR N N 11 124.069 121.714 2.355 1
1 54 . 19 1 1 A 12 12 MET H H 12 8.985 8.790 0.195 1
1 55 . 19 1 1 A 12 12 MET HA H 12 5.463 5.165 0.298 1
1 63 . 19 1 1 A 12 12 MET C C 12 177.045 175.547 1.498 1
1 64 . 19 1 1 A 12 12 MET CA C 12 52.215 54.050 -1.835 1
1 65 . 19 1 1 A 12 12 MET CB C 12 33.195 35.821 -2.626 1
1 68 . 19 1 1 A 12 12 MET N N 12 118.428 121.001 -2.573 1
1 69 . 19 1 1 A 13 13 THR H H 13 9.132 8.713 0.419 1
1 70 . 19 1 1 A 13 13 THR HA H 13 4.872 4.654 0.218 1
1 75 . 19 1 1 A 13 13 THR C C 13 177.032 174.945 2.087 1
1 76 . 19 1 1 A 13 13 THR CA C 13 60.003 61.634 -1.631 1
1 77 . 19 1 1 A 13 13 THR CB C 13 69.597 69.568 0.029 1
1 79 . 19 1 1 A 13 13 THR N N 13 113.981 116.238 -2.257 1
1 80 . 19 1 1 A 14 14 CYS H H 14 9.504 8.608 0.896 1
1 81 . 19 1 1 A 14 14 CYS HA H 14 4.806 4.603 0.203 1
1 84 . 19 1 1 A 14 14 CYS C C 14 173.712 174.908 -1.196 1
1 85 . 19 1 1 A 14 14 CYS CA C 14 57.209 59.685 -2.476 1
1 86 . 19 1 1 A 14 14 CYS CB C 14 28.772 28.607 0.165 1
1 87 . 19 1 1 A 14 14 CYS N N 14 122.485 121.243 1.242 1
1 88 . 19 1 1 A 15 15 SER H H 15 7.796 7.795 0.001 1
1 89 . 19 1 1 A 15 15 SER HA H 15 4.578 4.924 -0.346 1
1 92 . 19 1 1 A 15 15 SER C C 15 171.037 173.246 -2.209 1
1 93 . 19 1 1 A 15 15 SER CA C 15 56.858 57.878 -1.020 1
1 94 . 19 1 1 A 15 15 SER CB C 15 66.124 66.735 -0.611 1
1 95 . 19 1 1 A 15 15 SER N N 15 116.311 116.473 -0.162 1
1 96 . 19 1 1 A 16 16 ALA H H 16 8.398 8.548 -0.150 1
1 97 . 19 1 1 A 16 16 ALA HA H 16 4.582 4.705 -0.123 1
1 101 . 19 1 1 A 16 16 ALA C C 16 176.897 176.592 0.305 1
1 102 . 19 1 1 A 16 16 ALA CA C 16 52.085 52.530 -0.445 1
1 103 . 19 1 1 A 16 16 ALA CB C 16 19.720 19.015 0.705 1
1 104 . 19 1 1 A 16 16 ALA N N 16 124.071 127.402 -3.331 1
1 105 . 19 1 1 A 17 17 TYR H H 17 8.401 8.005 0.396 1
1 106 . 19 1 1 A 17 17 TYR HA H 17 4.384 4.781 -0.397 1
1 113 . 19 1 1 A 17 17 TYR C C 17 173.836 174.394 -0.558 1
1 114 . 19 1 1 A 17 17 TYR CA C 17 57.801 58.193 -0.392 1
1 115 . 19 1 1 A 17 17 TYR CB C 17 42.166 38.921 3.245 1
1 120 . 19 1 1 A 17 17 TYR N N 17 121.997 125.979 -3.982 1
1 121 . 19 1 1 A 18 18 GLN H H 18 6.844 7.795 -0.951 1
1 122 . 19 1 1 A 18 18 GLN HA H 18 4.318 4.602 -0.284 1
1 129 . 19 1 1 A 18 18 GLN C C 18 172.990 174.688 -1.698 1
1 130 . 19 1 1 A 18 18 GLN CA C 18 52.767 53.406 -0.639 1
1 131 . 19 1 1 A 18 18 GLN CB C 18 29.940 31.807 -1.867 1
1 133 . 19 1 1 A 18 18 GLN N N 18 127.603 126.014 1.589 1
1 135 . 19 1 1 A 19 19 LYS H H 19 8.155 8.194 -0.039 1
1 136 . 19 1 1 A 19 19 LYS HA H 19 4.130 4.570 -0.440 1
1 145 . 19 1 1 A 19 19 LYS C C 19 175.995 176.823 -0.828 1
1 146 . 19 1 1 A 19 19 LYS CA C 19 56.489 56.032 0.457 1
1 147 . 19 1 1 A 19 19 LYS CB C 19 33.369 33.457 -0.088 1
1 151 . 19 1 1 A 19 19 LYS N N 19 123.114 124.028 -0.914 1
1 152 . 19 1 1 A 20 20 VAL H H 20 8.679 9.044 -0.365 1
1 153 . 19 1 1 A 20 20 VAL HA H 20 4.153 4.028 0.125 1
1 161 . 19 1 1 A 20 20 VAL C C 20 176.493 175.748 0.745 1
1 162 . 19 1 1 A 20 20 VAL CA C 20 62.520 64.038 -1.518 1
1 163 . 19 1 1 A 20 20 VAL CB C 20 32.847 32.646 0.201 1
1 166 . 19 1 1 A 20 20 VAL N N 20 120.106 121.604 -1.498 1
1 167 . 19 1 1 A 21 21 GLN H H 21 7.133 8.048 -0.915 1
1 168 . 19 1 1 A 21 21 GLN HA H 21 4.582 4.636 -0.054 1
1 175 . 19 1 1 A 21 21 GLN C C 21 177.019 176.963 0.056 1
1 176 . 19 1 1 A 21 21 GLN CA C 21 54.291 54.743 -0.452 1
1 177 . 19 1 1 A 21 21 GLN CB C 21 31.023 30.159 0.864 1
1 179 . 19 1 1 A 21 21 GLN N N 21 116.079 118.865 -2.786 1
1 181 . 19 1 1 A 22 22 ASP H H 22 8.858 8.858 0.000 1
1 182 . 19 1 1 A 22 22 ASP HA H 22 4.318 4.313 0.005 1
1 185 . 19 1 1 A 22 22 ASP C C 22 176.746 178.421 -1.675 1
1 186 . 19 1 1 A 22 22 ASP CA C 22 57.752 57.216 0.536 1
1 187 . 19 1 1 A 22 22 ASP CB C 22 40.859 40.232 0.627 1
1 188 . 19 1 1 A 22 22 ASP N N 22 120.173 122.596 -2.423 1
1 189 . 19 1 1 A 23 23 SER H H 23 7.860 8.162 -0.302 1
1 190 . 19 1 1 A 23 23 SER HA H 23 4.648 4.340 0.308 1
1 193 . 19 1 1 A 23 23 SER C C 23 175.526 175.386 0.140 1
1 194 . 19 1 1 A 23 23 SER CA C 23 58.597 61.598 -3.001 1
1 195 . 19 1 1 A 23 23 SER CB C 23 62.993 63.185 -0.192 1
1 196 . 19 1 1 A 23 23 SER N N 23 110.013 115.318 -5.305 1
1 197 . 19 1 1 A 24 24 GLU H H 24 7.579 8.126 -0.547 1
1 198 . 19 1 1 A 24 24 GLU HA H 24 5.574 4.692 0.882 1
1 203 . 19 1 1 A 24 24 GLU C C 24 174.394 175.516 -1.122 1
1 204 . 19 1 1 A 24 24 GLU CA C 24 55.633 56.929 -1.296 1
1 205 . 19 1 1 A 24 24 GLU CB C 24 32.848 31.073 1.775 1
1 207 . 19 1 1 A 24 24 GLU N N 24 122.542 119.145 3.397 1
1 208 . 19 1 1 A 25 25 ILE H H 25 7.894 8.939 -1.045 1
1 209 . 19 1 1 A 25 25 ILE HA H 25 4.661 4.914 -0.253 1
1 219 . 19 1 1 A 25 25 ILE C C 25 171.519 173.902 -2.383 1
1 220 . 19 1 1 A 25 25 ILE CA C 25 58.838 59.506 -0.668 1
1 221 . 19 1 1 A 25 25 ILE CB C 25 42.673 42.153 0.520 1
1 225 . 19 1 1 A 25 25 ILE N N 25 117.944 123.206 -5.262 1
1 226 . 19 1 1 A 26 26 SER H H 26 7.535 8.984 -1.449 1
1 227 . 19 1 1 A 26 26 SER HA H 26 4.885 5.081 -0.196 1
1 230 . 19 1 1 A 26 26 SER C C 26 174.052 173.991 0.061 1
1 231 . 19 1 1 A 26 26 SER CA C 26 56.515 57.237 -0.722 1
1 232 . 19 1 1 A 26 26 SER CB C 26 65.131 64.831 0.300 1
1 233 . 19 1 1 A 26 26 SER N N 26 116.426 124.001 -7.575 1
1 234 . 19 1 1 A 27 27 PHE H H 27 8.271 8.382 -0.111 1
1 235 . 19 1 1 A 27 27 PHE HA H 27 4.934 5.100 -0.166 1
1 243 . 19 1 1 A 27 27 PHE C C 27 173.278 173.118 0.160 1
1 244 . 19 1 1 A 27 27 PHE CA C 27 53.758 54.752 -0.994 1
1 245 . 19 1 1 A 27 27 PHE CB C 27 37.379 41.821 -4.442 1
1 251 . 19 1 1 A 27 27 PHE N N 27 116.221 118.760 -2.539 1
1 252 . 19 1 1 A 28 28 PRO HA H 28 4.872 4.658 0.214 1
1 259 . 19 1 1 A 28 28 PRO C C 28 176.165 175.541 0.624 1
1 260 . 19 1 1 A 28 28 PRO CA C 28 61.019 62.496 -1.477 1
1 261 . 19 1 1 A 28 28 PRO CB C 28 32.410 33.027 -0.617 1
1 264 . 19 1 1 A 29 29 ALA H H 29 8.513 8.366 0.147 1
1 265 . 19 1 1 A 29 29 ALA HA H 29 3.822 4.698 -0.876 1
1 269 . 19 1 1 A 29 29 ALA C C 29 178.074 177.904 0.170 1
1 270 . 19 1 1 A 29 29 ALA CA C 29 52.670 52.218 0.452 1
1 271 . 19 1 1 A 29 29 ALA CB C 29 19.721 19.663 0.058 1
1 272 . 19 1 1 A 29 29 ALA N N 29 120.286 123.828 -3.542 1
1 273 . 19 1 1 A 30 30 GLY H H 30 8.022 8.433 -0.411 1
1 274 . 19 1 1 A 30 30 GLY HA2 H 30 3.956 4.095 -0.139 1
1 275 . 19 1 1 A 30 30 GLY HA3 H 30 3.733 4.098 -0.365 1
1 276 . 19 1 1 A 30 30 GLY C C 30 174.944 173.741 1.203 1
1 277 . 19 1 1 A 30 30 GLY CA C 30 46.739 45.145 1.594 1
1 278 . 19 1 1 A 30 30 GLY N N 30 110.746 111.362 -0.616 1
1 279 . 19 1 1 A 31 31 VAL H H 31 7.736 7.487 0.249 1
1 280 . 19 1 1 A 31 31 VAL HA H 31 4.753 4.881 -0.128 1
1 288 . 19 1 1 A 31 31 VAL C C 31 173.642 173.911 -0.269 1
1 289 . 19 1 1 A 31 31 VAL CA C 31 58.809 59.090 -0.281 1
1 290 . 19 1 1 A 31 31 VAL CB C 31 34.719 35.466 -0.747 1
1 293 . 19 1 1 A 31 31 VAL N N 31 112.109 115.488 -3.379 1
1 294 . 19 1 1 A 32 32 GLU H H 32 8.264 8.920 -0.656 1
1 295 . 19 1 1 A 32 32 GLU HA H 32 5.090 5.113 -0.023 1
1 300 . 19 1 1 A 32 32 GLU C C 32 176.725 175.757 0.968 1
1 301 . 19 1 1 A 32 32 GLU CA C 32 55.713 55.199 0.514 1
1 302 . 19 1 1 A 32 32 GLU CB C 32 31.615 32.025 -0.410 1
1 304 . 19 1 1 A 32 32 GLU N N 32 121.304 122.744 -1.440 1
1 305 . 19 1 1 A 33 33 VAL H H 33 9.136 8.822 0.314 1
1 306 . 19 1 1 A 33 33 VAL HA H 33 5.001 4.997 0.004 1
1 314 . 19 1 1 A 33 33 VAL C C 33 174.395 173.403 0.992 1
1 315 . 19 1 1 A 33 33 VAL CA C 33 58.765 58.698 0.067 1
1 316 . 19 1 1 A 33 33 VAL CB C 33 34.596 35.859 -1.263 1
1 319 . 19 1 1 A 33 33 VAL N N 33 117.728 119.741 -2.013 1
1 320 . 19 1 1 A 34 34 GLN H H 34 8.551 8.258 0.293 1
1 321 . 19 1 1 A 34 34 GLN HA H 34 5.052 4.982 0.070 1
1 328 . 19 1 1 A 34 34 GLN C C 34 175.752 174.568 1.184 1
1 329 . 19 1 1 A 34 34 GLN CA C 34 54.328 54.200 0.128 1
1 330 . 19 1 1 A 34 34 GLN CB C 34 30.760 31.394 -0.634 1
1 332 . 19 1 1 A 34 34 GLN N N 34 119.032 121.240 -2.208 1
1 334 . 19 1 1 A 35 35 VAL H H 35 9.180 9.119 0.061 1
1 335 . 19 1 1 A 35 35 VAL HA H 35 4.144 4.153 -0.009 1
1 343 . 19 1 1 A 35 35 VAL C C 35 175.602 175.298 0.304 1
1 344 . 19 1 1 A 35 35 VAL CA C 35 63.035 63.400 -0.365 1
1 345 . 19 1 1 A 35 35 VAL CB C 35 32.056 30.803 1.253 1
1 348 . 19 1 1 A 35 35 VAL N N 35 124.135 127.648 -3.513 1
1 349 . 19 1 1 A 36 36 LEU H H 36 9.175 9.079 0.096 1
1 350 . 19 1 1 A 36 36 LEU HA H 36 4.429 4.101 0.328 1
1 360 . 19 1 1 A 36 36 LEU C C 36 177.299 176.792 0.507 1
1 361 . 19 1 1 A 36 36 LEU CA C 36 55.785 56.937 -1.152 1
1 362 . 19 1 1 A 36 36 LEU CB C 36 42.924 42.196 0.728 1
1 366 . 19 1 1 A 36 36 LEU N N 36 129.320 129.546 -0.226 1
1 367 . 19 1 1 A 37 37 GLU H H 37 7.569 7.766 -0.197 1
1 368 . 19 1 1 A 37 37 GLU HA H 37 4.414 4.744 -0.330 1
1 373 . 19 1 1 A 37 37 GLU C C 37 174.132 174.144 -0.012 1
1 374 . 19 1 1 A 37 37 GLU CA C 37 56.244 55.189 1.055 1
1 375 . 19 1 1 A 37 37 GLU CB C 37 33.236 33.194 0.042 1
1 377 . 19 1 1 A 37 37 GLU N N 37 116.925 115.215 1.710 1
1 378 . 19 1 1 A 38 38 LYS H H 38 8.693 8.572 0.121 1
1 379 . 19 1 1 A 38 38 LYS HA H 38 4.181 5.097 -0.916 1
1 388 . 19 1 1 A 38 38 LYS C C 38 175.877 175.228 0.649 1
1 389 . 19 1 1 A 38 38 LYS CA C 38 55.579 54.659 0.920 1
1 390 . 19 1 1 A 38 38 LYS CB C 38 34.965 35.491 -0.526 1
1 394 . 19 1 1 A 38 38 LYS N N 38 124.828 122.071 2.757 1
1 395 . 19 1 1 A 39 39 GLN H H 39 7.682 9.186 -1.504 1
1 396 . 19 1 1 A 39 39 GLN HA H 39 4.896 4.604 0.292 1
1 403 . 19 1 1 A 39 39 GLN C C 39 177.964 177.167 0.797 1
1 404 . 19 1 1 A 39 39 GLN CA C 39 55.324 54.914 0.410 1
1 405 . 19 1 1 A 39 39 GLN CB C 39 31.670 30.676 0.994 1
1 407 . 19 1 1 A 39 39 GLN N N 39 119.391 122.894 -3.503 1
1 409 . 19 1 1 A 40 40 GLU HA H 40 4.308 4.050 0.258 1
1 414 . 19 1 1 A 40 40 GLU C C 40 176.777 178.797 -2.020 1
1 415 . 19 1 1 A 40 40 GLU CA C 40 58.541 59.726 -1.185 1
1 416 . 19 1 1 A 40 40 GLU CB C 40 29.363 29.296 0.067 1
1 418 . 19 1 1 A 41 41 SER H H 41 7.986 8.380 -0.394 1
1 419 . 19 1 1 A 41 41 SER HA H 41 4.413 4.235 0.178 1
1 422 . 19 1 1 A 41 41 SER C C 41 175.434 175.318 0.116 1
1 423 . 19 1 1 A 41 41 SER CA C 41 58.707 62.197 -3.490 1
1 424 . 19 1 1 A 41 41 SER CB C 41 63.871 63.073 0.798 1
1 425 . 19 1 1 A 41 41 SER N N 41 113.216 117.535 -4.319 1
1 426 . 19 1 1 A 42 42 GLY H H 42 8.135 7.742 0.393 1
1 427 . 19 1 1 A 42 42 GLY HA2 H 42 4.347 3.928 0.419 1
1 428 . 19 1 1 A 42 42 GLY HA3 H 42 3.625 4.027 -0.402 1
1 429 . 19 1 1 A 42 42 GLY C C 42 173.338 174.706 -1.368 1
1 430 . 19 1 1 A 42 42 GLY CA C 42 44.998 45.524 -0.526 1
1 431 . 19 1 1 A 42 42 GLY N N 42 108.513 105.705 2.808 1
1 432 . 19 1 1 A 43 43 TRP H H 43 7.820 7.887 -0.067 1
1 433 . 19 1 1 A 43 43 TRP HA H 43 4.942 4.702 0.240 1
1 442 . 19 1 1 A 43 43 TRP C C 43 174.648 176.412 -1.764 1
1 443 . 19 1 1 A 43 43 TRP CA C 43 57.245 58.155 -0.910 1
1 444 . 19 1 1 A 43 43 TRP CB C 43 30.102 29.627 0.475 1
1 450 . 19 1 1 A 43 43 TRP N N 43 122.320 120.788 1.532 1
1 452 . 19 1 1 A 44 44 TRP H H 44 9.769 9.285 0.484 1
1 453 . 19 1 1 A 44 44 TRP HA H 44 5.875 5.636 0.239 1
1 462 . 19 1 1 A 44 44 TRP C C 44 173.703 175.240 -1.537 1
1 463 . 19 1 1 A 44 44 TRP CA C 44 53.298 55.838 -2.540 1
1 464 . 19 1 1 A 44 44 TRP CB C 44 32.961 31.758 1.203 1
1 470 . 19 1 1 A 44 44 TRP N N 44 125.138 123.915 1.223 1
1 472 . 19 1 1 A 45 45 TYR H H 45 9.168 8.822 0.346 1
1 473 . 19 1 1 A 45 45 TYR HA H 45 4.173 4.322 -0.149 1
1 480 . 19 1 1 A 45 45 TYR C C 45 175.086 174.561 0.525 1
1 481 . 19 1 1 A 45 45 TYR CA C 45 58.044 56.517 1.527 1
1 482 . 19 1 1 A 45 45 TYR CB C 45 38.792 38.288 0.504 1
1 487 . 19 1 1 A 45 45 TYR N N 45 127.429 125.055 2.374 1
1 488 . 19 1 1 A 46 46 VAL H H 46 8.689 8.876 -0.187 1
1 489 . 19 1 1 A 46 46 VAL HA H 46 5.142 5.115 0.027 1
1 497 . 19 1 1 A 46 46 VAL C C 46 172.384 173.477 -1.093 1
1 498 . 19 1 1 A 46 46 VAL CA C 46 59.010 59.550 -0.540 1
1 499 . 19 1 1 A 46 46 VAL CB C 46 35.502 34.112 1.390 1
1 502 . 19 1 1 A 46 46 VAL N N 46 124.245 122.179 2.066 1
1 503 . 19 1 1 A 47 47 ARG H H 47 9.049 8.602 0.447 1
1 504 . 19 1 1 A 47 47 ARG HA H 47 5.163 5.282 -0.119 1
1 512 . 19 1 1 A 47 47 ARG C C 47 175.057 173.861 1.196 1
1 513 . 19 1 1 A 47 47 ARG CA C 47 54.158 54.179 -0.021 1
1 514 . 19 1 1 A 47 47 ARG CB C 47 34.146 33.559 0.587 1
1 517 . 19 1 1 A 47 47 ARG N N 47 120.700 121.532 -0.832 1
1 519 . 19 1 1 A 48 48 PHE H H 48 9.042 9.320 -0.278 1
1 520 . 19 1 1 A 48 48 PHE HA H 48 5.296 4.759 0.537 1
1 528 . 19 1 1 A 48 48 PHE C C 48 175.133 175.601 -0.468 1
1 529 . 19 1 1 A 48 48 PHE CA C 48 54.446 57.041 -2.595 1
1 530 . 19 1 1 A 48 48 PHE CB C 48 40.369 41.392 -1.023 1
1 536 . 19 1 1 A 48 48 PHE N N 48 128.029 127.524 0.505 1
1 537 . 19 1 1 A 49 49 GLY H H 49 9.103 8.793 0.310 1
1 538 . 19 1 1 A 49 49 GLY HA2 H 49 3.644 3.537 0.107 1
1 539 . 19 1 1 A 49 49 GLY HA3 H 49 3.503 3.668 -0.165 1
1 540 . 19 1 1 A 49 49 GLY C C 49 174.287 174.455 -0.168 1
1 541 . 19 1 1 A 49 49 GLY CA C 49 47.008 47.115 -0.107 1
1 542 . 19 1 1 A 49 49 GLY N N 49 118.890 116.022 2.868 1
1 543 . 19 1 1 A 50 50 GLU H H 50 8.920 8.181 0.739 1
1 544 . 19 1 1 A 50 50 GLU HA H 50 4.333 4.344 -0.011 1
1 549 . 19 1 1 A 50 50 GLU C C 50 176.000 174.729 1.271 1
1 550 . 19 1 1 A 50 50 GLU CA C 50 56.080 55.720 0.360 1
1 551 . 19 1 1 A 50 50 GLU CB C 50 30.022 30.560 -0.538 1
1 553 . 19 1 1 A 50 50 GLU N N 50 125.280 125.626 -0.346 1
1 554 . 19 1 1 A 51 51 LEU H H 51 7.792 7.304 0.488 1
1 555 . 19 1 1 A 51 51 LEU HA H 51 4.635 4.904 -0.269 1
1 565 . 19 1 1 A 51 51 LEU C C 51 175.050 175.697 -0.647 1
1 566 . 19 1 1 A 51 51 LEU CA C 51 54.074 53.575 0.499 1
1 567 . 19 1 1 A 51 51 LEU CB C 51 44.171 46.061 -1.890 1
1 571 . 19 1 1 A 51 51 LEU N N 51 121.706 121.903 -0.197 1
1 572 . 19 1 1 A 52 52 GLU H H 52 8.165 8.742 -0.577 1
1 573 . 19 1 1 A 52 52 GLU HA H 52 5.476 5.217 0.259 1
1 578 . 19 1 1 A 52 52 GLU C C 52 176.062 175.221 0.841 1
1 579 . 19 1 1 A 52 52 GLU CA C 52 53.810 54.663 -0.853 1
1 580 . 19 1 1 A 52 52 GLU CB C 52 33.486 32.704 0.782 1
1 582 . 19 1 1 A 52 52 GLU N N 52 116.700 119.747 -3.047 1
1 583 . 19 1 1 A 53 53 GLY H H 53 8.091 8.553 -0.462 1
1 584 . 19 1 1 A 53 53 GLY HA2 H 53 3.882 4.507 -0.625 1
1 585 . 19 1 1 A 53 53 GLY HA3 H 53 3.730 4.532 -0.802 1
1 586 . 19 1 1 A 53 53 GLY C C 53 170.279 171.622 -1.343 1
1 587 . 19 1 1 A 53 53 GLY CA C 53 45.344 44.441 0.903 1
1 588 . 19 1 1 A 53 53 GLY N N 53 106.613 110.784 -4.171 1
1 589 . 19 1 1 A 54 54 TRP H H 54 8.595 9.023 -0.428 1
1 590 . 19 1 1 A 54 54 TRP HA H 54 5.348 5.657 -0.309 1
1 599 . 19 1 1 A 54 54 TRP C C 54 175.873 176.237 -0.364 1
1 600 . 19 1 1 A 54 54 TRP CA C 54 57.602 57.275 0.327 1
1 601 . 19 1 1 A 54 54 TRP CB C 54 31.176 30.190 0.986 1
1 607 . 19 1 1 A 54 54 TRP N N 54 120.550 121.082 -0.532 1
1 609 . 19 1 1 A 55 55 ALA H H 55 9.993 9.634 0.359 1
1 610 . 19 1 1 A 55 55 ALA HA H 55 4.978 4.457 0.521 1
1 614 . 19 1 1 A 55 55 ALA C C 55 173.642 174.786 -1.144 1
1 615 . 19 1 1 A 55 55 ALA CA C 55 49.335 49.224 0.111 1
1 616 . 19 1 1 A 55 55 ALA CB C 55 22.101 21.165 0.936 1
1 617 . 19 1 1 A 55 55 ALA N N 55 122.386 128.267 -5.881 1
1 618 . 19 1 1 A 56 56 PRO HA H 56 3.586 4.105 -0.519 1
1 625 . 19 1 1 A 56 56 PRO C C 56 178.765 177.101 1.664 1
1 626 . 19 1 1 A 56 56 PRO CA C 56 61.218 62.252 -1.034 1
1 627 . 19 1 1 A 56 56 PRO CB C 56 30.430 31.980 -1.550 1
1 630 . 19 1 1 A 57 57 SER H H 57 8.187 7.612 0.575 1
1 631 . 19 1 1 A 57 57 SER HA H 57 2.721 3.309 -0.588 1
1 634 . 19 1 1 A 57 57 SER C C 57 175.094 175.567 -0.473 1
1 635 . 19 1 1 A 57 57 SER CA C 57 60.865 59.706 1.159 1
1 636 . 19 1 1 A 57 57 SER CB C 57 60.645 61.896 -1.251 1
1 637 . 19 1 1 A 57 57 SER N N 57 120.088 119.580 0.508 1
1 638 . 19 1 1 A 58 58 HIS H H 58 7.482 7.435 0.047 1
1 639 . 19 1 1 A 58 58 HIS HA H 58 4.433 4.081 0.352 1
1 644 . 19 1 1 A 58 58 HIS C C 58 175.763 177.305 -1.542 1
1 645 . 19 1 1 A 58 58 HIS CA C 58 56.938 59.571 -2.633 1
1 646 . 19 1 1 A 58 58 HIS CB C 58 28.597 29.898 -1.301 1
1 649 . 19 1 1 A 58 58 HIS N N 58 115.490 119.057 -3.567 1
1 650 . 19 1 1 A 59 59 TYR H H 59 7.251 7.572 -0.321 1
1 651 . 19 1 1 A 59 59 TYR HA H 59 4.366 4.290 0.076 1
1 658 . 19 1 1 A 59 59 TYR C C 59 173.874 176.327 -2.453 1
1 659 . 19 1 1 A 59 59 TYR CA C 59 58.862 60.312 -1.450 1
1 660 . 19 1 1 A 59 59 TYR CB C 59 36.586 39.702 -3.116 1
1 665 . 19 1 1 A 59 59 TYR N N 59 120.460 116.551 3.909 1
1 666 . 19 1 1 A 60 60 LEU H H 60 7.574 6.964 0.610 1
1 667 . 19 1 1 A 60 60 LEU HA H 60 4.964 4.219 0.745 1
1 677 . 19 1 1 A 60 60 LEU C C 60 175.663 176.465 -0.802 1
1 678 . 19 1 1 A 60 60 LEU CA C 60 53.709 55.239 -1.530 1
1 679 . 19 1 1 A 60 60 LEU CB C 60 42.879 42.238 0.641 1
1 683 . 19 1 1 A 60 60 LEU N N 60 121.690 119.898 1.792 1
1 684 . 19 1 1 A 61 61 VAL H H 61 9.082 8.892 0.190 1
1 685 . 19 1 1 A 61 61 VAL HA H 61 4.309 4.477 -0.168 1
1 693 . 19 1 1 A 61 61 VAL C C 61 174.803 175.364 -0.561 1
1 694 . 19 1 1 A 61 61 VAL CA C 61 61.381 62.120 -0.739 1
1 695 . 19 1 1 A 61 61 VAL CB C 61 33.607 31.157 2.450 1
1 698 . 19 1 1 A 61 61 VAL N N 61 119.010 125.613 -6.603 1
1 699 . 19 1 1 A 62 62 LEU H H 62 8.307 8.341 -0.034 1
1 700 . 19 1 1 A 62 62 LEU HA H 62 4.288 5.316 -1.028 1
1 710 . 19 1 1 A 62 62 LEU C C 62 176.976 176.789 0.187 1
1 711 . 19 1 1 A 62 62 LEU CA C 62 54.807 53.764 1.043 1
1 712 . 19 1 1 A 62 62 LEU CB C 62 42.932 42.952 -0.020 1
1 716 . 19 1 1 A 62 62 LEU N N 62 127.895 126.124 1.771 1
1 717 . 19 1 1 A 63 63 ASP H H 63 8.475 8.663 -0.188 1
1 718 . 19 1 1 A 63 63 ASP HA H 63 4.595 4.946 -0.351 1
1 721 . 19 1 1 A 63 63 ASP C C 63 176.269 176.549 -0.280 1
1 722 . 19 1 1 A 63 63 ASP CA C 63 53.903 52.970 0.933 1
1 723 . 19 1 1 A 63 63 ASP CB C 63 41.618 39.850 1.768 1
1 724 . 19 1 1 A 63 63 ASP N N 63 122.904 120.577 2.327 1
1 725 . 19 1 1 A 64 64 GLU H H 64 8.528 8.177 0.351 1
1 726 . 19 1 1 A 64 64 GLU HA H 64 4.220 4.067 0.153 1
1 731 . 19 1 1 A 64 64 GLU C C 64 176.504 176.385 0.119 1
1 732 . 19 1 1 A 64 64 GLU CA C 64 57.043 57.347 -0.304 1
1 733 . 19 1 1 A 64 64 GLU CB C 64 30.214 28.248 1.966 1
1 735 . 19 1 1 A 64 64 GLU N N 64 122.471 118.254 4.217 1
1 736 . 19 1 1 A 65 65 ASN H H 65 8.523 7.876 0.647 1
1 737 . 19 1 1 A 65 65 ASN HA H 65 4.661 4.651 0.010 1
1 742 . 19 1 1 A 65 65 ASN C C 65 175.223 174.715 0.508 1
1 743 . 19 1 1 A 65 65 ASN CA C 65 53.674 53.837 -0.163 1
1 744 . 19 1 1 A 65 65 ASN CB C 65 39.088 39.201 -0.113 1
1 745 . 19 1 1 A 65 65 ASN N N 65 118.895 119.292 -0.397 1
1 747 . 19 1 1 A 66 66 GLU H H 66 8.222 8.938 -0.716 1
1 748 . 19 1 1 A 66 66 GLU HA H 66 4.293 5.076 -0.783 1
1 753 . 19 1 1 A 66 66 GLU C C 66 176.054 174.575 1.479 1
1 754 . 19 1 1 A 66 66 GLU CA C 66 56.432 54.642 1.790 1
1 755 . 19 1 1 A 66 66 GLU CB C 66 30.476 33.368 -2.892 1
1 757 . 19 1 1 A 66 66 GLU N N 66 120.919 123.174 -2.255 1
1 758 . 19 1 1 A 67 67 GLN H H 67 8.293 8.511 -0.218 1
1 759 . 19 1 1 A 67 67 GLN HA H 67 4.582 4.751 -0.169 1
1 766 . 19 1 1 A 67 67 GLN C C 67 173.836 173.662 0.174 1
1 767 . 19 1 1 A 67 67 GLN CA C 67 53.593 52.281 1.312 1
1 768 . 19 1 1 A 67 67 GLN CB C 67 28.949 30.445 -1.496 1
1 770 . 19 1 1 A 67 67 GLN N N 67 122.295 121.545 0.750 1
1 772 . 19 1 1 A 68 68 PRO HA H 68 4.401 4.721 -0.320 1
1 779 . 19 1 1 A 68 68 PRO CA C 68 62.882 62.638 0.244 1
1 780 . 19 1 1 A 68 68 PRO CB C 68 32.175 30.501 1.674 1
1 783 . 19 1 1 A 69 69 ASP H H 69 8.502 8.168 0.334 1
1 784 . 19 1 1 A 69 69 ASP HA H 69 4.836 4.968 -0.132 1
1 787 . 19 1 1 A 69 69 ASP CA C 69 51.945 50.814 1.131 1
1 788 . 19 1 1 A 69 69 ASP CB C 69 41.305 43.950 -2.645 1
1 789 . 19 1 1 A 69 69 ASP N N 69 121.937 123.945 -2.008 1
1 790 . 19 1 1 A 70 70 PRO HA H 70 4.437 4.288 0.149 1
1 797 . 19 1 1 A 70 70 PRO C C 70 177.484 176.520 0.964 1
1 798 . 19 1 1 A 70 70 PRO CA C 70 63.777 64.833 -1.056 1
1 799 . 19 1 1 A 70 70 PRO CB C 70 32.027 31.971 0.056 1
1 802 . 19 1 1 A 71 71 SER H H 71 8.506 7.823 0.683 1
1 803 . 19 1 1 A 71 71 SER HA H 71 4.364 4.231 0.133 1
1 806 . 19 1 1 A 71 71 SER C C 71 175.439 175.688 -0.249 1
1 807 . 19 1 1 A 71 71 SER CA C 71 59.261 60.162 -0.901 1
1 808 . 19 1 1 A 71 71 SER CB C 71 63.771 63.365 0.406 1
1 809 . 19 1 1 A 71 71 SER N N 71 115.901 114.333 1.568 1
1 810 . 19 1 1 A 72 72 GLY H H 72 8.258 8.864 -0.606 1
1 811 . 19 1 1 A 72 72 GLY HA2 H 72 3.958 3.918 0.040 1
1 812 . 19 1 1 A 72 72 GLY HA3 H 72 3.958 3.918 0.040 1
1 813 . 19 1 1 A 72 72 GLY C C 72 174.314 174.730 -0.416 1
1 814 . 19 1 1 A 72 72 GLY CA C 72 45.469 46.695 -1.226 1
1 815 . 19 1 1 A 72 72 GLY N N 72 110.595 112.969 -2.374 1
1 816 . 19 1 1 A 73 73 LYS H H 73 8.052 8.081 -0.029 1
1 817 . 19 1 1 A 73 73 LYS HA H 73 4.305 4.324 -0.019 1
1 826 . 19 1 1 A 73 73 LYS C C 73 176.792 176.173 0.619 1
1 827 . 19 1 1 A 73 73 LYS CA C 73 56.420 56.289 0.131 1
1 828 . 19 1 1 A 73 73 LYS CB C 73 33.082 32.721 0.361 1
1 832 . 19 1 1 A 73 73 LYS N N 73 120.614 117.873 2.741 1
1 833 . 19 1 1 A 74 74 GLU H H 74 8.559 8.568 -0.009 1
1 834 . 19 1 1 A 74 74 GLU HA H 74 4.305 4.829 -0.524 1
1 839 . 19 1 1 A 74 74 GLU C C 74 176.648 175.213 1.435 1
1 840 . 19 1 1 A 74 74 GLU CA C 74 56.446 54.863 1.583 1
1 841 . 19 1 1 A 74 74 GLU CB C 74 30.215 33.529 -3.314 1
1 843 . 19 1 1 A 74 74 GLU N N 74 122.000 122.417 -0.417 1
1 844 . 19 1 1 A 75 75 SER H H 75 8.364 8.766 -0.402 1
1 845 . 19 1 1 A 75 75 SER HA H 75 4.450 4.916 -0.466 1
1 846 . 19 1 1 A 75 75 SER C C 75 174.540 174.145 0.395 1
1 847 . 19 1 1 A 75 75 SER CA C 75 58.538 57.992 0.546 1
1 848 . 19 1 1 A 75 75 SER CB C 75 63.977 64.834 -0.857 1
1 849 . 19 1 1 A 75 75 SER N N 75 116.992 117.864 -0.872 1
1 850 . 19 1 1 A 76 76 GLY H H 76 8.243 8.433 -0.190 1
1 851 . 19 1 1 A 76 76 GLY HA2 H 76 4.157 4.185 -0.028 1
1 852 . 19 1 1 A 76 76 GLY HA3 H 76 4.058 4.186 -0.128 1
1 853 . 19 1 1 A 76 76 GLY CA C 76 44.680 44.951 -0.271 1
1 854 . 19 1 1 A 76 76 GLY N N 76 110.704 109.694 1.010 1
1 855 . 19 1 1 A 77 77 PRO HA H 77 4.463 4.776 -0.313 1
1 862 . 19 1 1 A 77 77 PRO C C 77 177.454 175.586 1.868 1
1 863 . 19 1 1 A 77 77 PRO CA C 77 63.202 62.683 0.519 1
1 864 . 19 1 1 A 77 77 PRO CB C 77 32.276 32.517 -0.241 1
1 867 . 19 1 1 A 78 78 SER H H 78 8.535 8.435 0.100 1
1 870 . 19 1 1 A 78 78 SER C C 78 174.735 173.062 1.673 1
1 871 . 19 1 1 A 78 78 SER CA C 78 58.373 57.843 0.530 1
1 872 . 19 1 1 A 78 78 SER CB C 78 63.977 66.223 -2.246 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.494 5.062 -0.568 1
1 2 . 20 1 1 A 6 6 SER CA C 6 58.785 57.932 0.853 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.483 62.944 0.539 1
1 4 . 20 1 1 A 7 7 GLY H H 7 8.367 9.034 -0.667 1
1 5 . 20 1 1 A 7 7 GLY HA2 H 7 3.955 3.954 0.001 1
1 6 . 20 1 1 A 7 7 GLY HA3 H 7 3.955 3.957 -0.002 1
1 7 . 20 1 1 A 7 7 GLY C C 7 173.640 173.568 0.072 1
1 8 . 20 1 1 A 7 7 GLY CA C 7 45.215 46.031 -0.816 1
1 9 . 20 1 1 A 7 7 GLY N N 7 110.787 112.787 -2.000 1
1 10 . 20 1 1 A 8 8 ALA H H 8 8.126 7.563 0.563 1
1 11 . 20 1 1 A 8 8 ALA HA H 8 4.458 4.715 -0.257 1
1 15 . 20 1 1 A 8 8 ALA C C 8 177.711 175.208 2.503 1
1 16 . 20 1 1 A 8 8 ALA CA C 8 52.493 51.707 0.786 1
1 17 . 20 1 1 A 8 8 ALA CB C 8 19.761 22.849 -3.088 1
1 18 . 20 1 1 A 8 8 ALA N N 8 123.680 121.391 2.289 1
1 19 . 20 1 1 A 9 9 THR H H 9 8.254 8.681 -0.427 1
1 20 . 20 1 1 A 9 9 THR HA H 9 4.527 4.913 -0.386 1
1 25 . 20 1 1 A 9 9 THR C C 9 174.050 173.104 0.946 1
1 26 . 20 1 1 A 9 9 THR CA C 9 61.874 61.590 0.284 1
1 27 . 20 1 1 A 9 9 THR CB C 9 70.580 71.564 -0.984 1
1 29 . 20 1 1 A 9 9 THR N N 9 113.196 114.572 -1.376 1
1 30 . 20 1 1 A 10 10 SER H H 10 8.264 8.847 -0.583 1
1 31 . 20 1 1 A 10 10 SER HA H 10 5.228 5.238 -0.010 1
1 34 . 20 1 1 A 10 10 SER C C 10 173.318 173.362 -0.044 1
1 35 . 20 1 1 A 10 10 SER CA C 10 58.404 58.863 -0.459 1
1 36 . 20 1 1 A 10 10 SER CB C 10 64.098 63.852 0.246 1
1 37 . 20 1 1 A 10 10 SER N N 10 120.509 123.820 -3.311 1
1 38 . 20 1 1 A 11 11 TYR H H 11 8.957 9.006 -0.049 1
1 39 . 20 1 1 A 11 11 TYR HA H 11 4.793 5.205 -0.412 1
1 46 . 20 1 1 A 11 11 TYR C C 11 174.111 174.731 -0.620 1
1 47 . 20 1 1 A 11 11 TYR CA C 11 57.097 56.413 0.684 1
1 48 . 20 1 1 A 11 11 TYR CB C 11 43.764 42.247 1.517 1
1 53 . 20 1 1 A 11 11 TYR N N 11 124.069 124.832 -0.763 1
1 54 . 20 1 1 A 12 12 MET H H 12 8.985 8.370 0.615 1
1 55 . 20 1 1 A 12 12 MET HA H 12 5.463 5.153 0.310 1
1 63 . 20 1 1 A 12 12 MET C C 12 177.045 175.247 1.798 1
1 64 . 20 1 1 A 12 12 MET CA C 12 52.215 53.797 -1.582 1
1 65 . 20 1 1 A 12 12 MET CB C 12 33.195 34.895 -1.700 1
1 68 . 20 1 1 A 12 12 MET N N 12 118.428 121.956 -3.528 1
1 69 . 20 1 1 A 13 13 THR H H 13 9.132 8.738 0.394 1
1 70 . 20 1 1 A 13 13 THR HA H 13 4.872 4.629 0.243 1
1 75 . 20 1 1 A 13 13 THR C C 13 177.032 174.853 2.179 1
1 76 . 20 1 1 A 13 13 THR CA C 13 60.003 62.091 -2.088 1
1 77 . 20 1 1 A 13 13 THR CB C 13 69.597 69.745 -0.148 1
1 79 . 20 1 1 A 13 13 THR N N 13 113.981 116.791 -2.810 1
1 80 . 20 1 1 A 14 14 CYS H H 14 9.504 8.630 0.874 1
1 81 . 20 1 1 A 14 14 CYS HA H 14 4.806 4.682 0.124 1
1 84 . 20 1 1 A 14 14 CYS C C 14 173.712 174.147 -0.435 1
1 85 . 20 1 1 A 14 14 CYS CA C 14 57.209 59.019 -1.810 1
1 86 . 20 1 1 A 14 14 CYS CB C 14 28.772 28.862 -0.090 1
1 87 . 20 1 1 A 14 14 CYS N N 14 122.485 120.329 2.156 1
1 88 . 20 1 1 A 15 15 SER H H 15 7.796 7.914 -0.118 1
1 89 . 20 1 1 A 15 15 SER HA H 15 4.578 5.026 -0.448 1
1 92 . 20 1 1 A 15 15 SER C C 15 171.037 173.182 -2.145 1
1 93 . 20 1 1 A 15 15 SER CA C 15 56.858 55.782 1.076 1
1 94 . 20 1 1 A 15 15 SER CB C 15 66.124 66.324 -0.200 1
1 95 . 20 1 1 A 15 15 SER N N 15 116.311 113.215 3.096 1
1 96 . 20 1 1 A 16 16 ALA H H 16 8.398 8.475 -0.077 1
1 97 . 20 1 1 A 16 16 ALA HA H 16 4.582 4.865 -0.283 1
1 101 . 20 1 1 A 16 16 ALA C C 16 176.897 176.042 0.855 1
1 102 . 20 1 1 A 16 16 ALA CA C 16 52.085 50.776 1.309 1
1 103 . 20 1 1 A 16 16 ALA CB C 16 19.720 19.895 -0.175 1
1 104 . 20 1 1 A 16 16 ALA N N 16 124.071 125.189 -1.118 1
1 105 . 20 1 1 A 17 17 TYR H H 17 8.401 8.170 0.231 1
1 106 . 20 1 1 A 17 17 TYR HA H 17 4.384 4.850 -0.466 1
1 113 . 20 1 1 A 17 17 TYR C C 17 173.836 174.613 -0.777 1
1 114 . 20 1 1 A 17 17 TYR CA C 17 57.801 57.972 -0.171 1
1 115 . 20 1 1 A 17 17 TYR CB C 17 42.166 40.120 2.046 1
1 120 . 20 1 1 A 17 17 TYR N N 17 121.997 125.991 -3.994 1
1 121 . 20 1 1 A 18 18 GLN H H 18 6.844 8.234 -1.390 1
1 122 . 20 1 1 A 18 18 GLN HA H 18 4.318 4.721 -0.403 1
1 129 . 20 1 1 A 18 18 GLN C C 18 172.990 174.211 -1.221 1
1 130 . 20 1 1 A 18 18 GLN CA C 18 52.767 53.886 -1.119 1
1 131 . 20 1 1 A 18 18 GLN CB C 18 29.940 31.399 -1.459 1
1 133 . 20 1 1 A 18 18 GLN N N 18 127.603 123.259 4.344 1
1 135 . 20 1 1 A 19 19 LYS H H 19 8.155 8.390 -0.235 1
1 136 . 20 1 1 A 19 19 LYS HA H 19 4.130 4.684 -0.554 1
1 145 . 20 1 1 A 19 19 LYS C C 19 175.995 176.569 -0.574 1
1 146 . 20 1 1 A 19 19 LYS CA C 19 56.489 56.086 0.403 1
1 147 . 20 1 1 A 19 19 LYS CB C 19 33.369 33.029 0.340 1
1 151 . 20 1 1 A 19 19 LYS N N 19 123.114 120.270 2.844 1
1 152 . 20 1 1 A 20 20 VAL H H 20 8.679 8.910 -0.231 1
1 153 . 20 1 1 A 20 20 VAL HA H 20 4.153 4.106 0.047 1
1 161 . 20 1 1 A 20 20 VAL C C 20 176.493 175.431 1.062 1
1 162 . 20 1 1 A 20 20 VAL CA C 20 62.520 63.986 -1.466 1
1 163 . 20 1 1 A 20 20 VAL CB C 20 32.847 32.863 -0.016 1
1 166 . 20 1 1 A 20 20 VAL N N 20 120.106 121.191 -1.085 1
1 167 . 20 1 1 A 21 21 GLN H H 21 7.133 7.586 -0.453 1
1 168 . 20 1 1 A 21 21 GLN HA H 21 4.582 4.834 -0.252 1
1 175 . 20 1 1 A 21 21 GLN C C 21 177.019 175.846 1.173 1
1 176 . 20 1 1 A 21 21 GLN CA C 21 54.291 53.730 0.561 1
1 177 . 20 1 1 A 21 21 GLN CB C 21 31.023 32.864 -1.841 1
1 179 . 20 1 1 A 21 21 GLN N N 21 116.079 118.056 -1.977 1
1 181 . 20 1 1 A 22 22 ASP H H 22 8.858 9.015 -0.157 1
1 182 . 20 1 1 A 22 22 ASP HA H 22 4.318 4.396 -0.078 1
1 185 . 20 1 1 A 22 22 ASP C C 22 176.746 178.448 -1.702 1
1 186 . 20 1 1 A 22 22 ASP CA C 22 57.752 57.073 0.679 1
1 187 . 20 1 1 A 22 22 ASP CB C 22 40.859 39.804 1.055 1
1 188 . 20 1 1 A 22 22 ASP N N 22 120.173 121.938 -1.765 1
1 189 . 20 1 1 A 23 23 SER H H 23 7.860 8.123 -0.263 1
1 190 . 20 1 1 A 23 23 SER HA H 23 4.648 4.290 0.358 1
1 193 . 20 1 1 A 23 23 SER C C 23 175.526 175.650 -0.124 1
1 194 . 20 1 1 A 23 23 SER CA C 23 58.597 61.766 -3.169 1
1 195 . 20 1 1 A 23 23 SER CB C 23 62.993 63.047 -0.054 1
1 196 . 20 1 1 A 23 23 SER N N 23 110.013 115.437 -5.424 1
1 197 . 20 1 1 A 24 24 GLU H H 24 7.579 8.131 -0.552 1
1 198 . 20 1 1 A 24 24 GLU HA H 24 5.574 4.693 0.881 1
1 203 . 20 1 1 A 24 24 GLU C C 24 174.394 175.363 -0.969 1
1 204 . 20 1 1 A 24 24 GLU CA C 24 55.633 57.274 -1.641 1
1 205 . 20 1 1 A 24 24 GLU CB C 24 32.848 30.840 2.008 1
1 207 . 20 1 1 A 24 24 GLU N N 24 122.542 118.879 3.663 1
1 208 . 20 1 1 A 25 25 ILE H H 25 7.894 8.948 -1.054 1
1 209 . 20 1 1 A 25 25 ILE HA H 25 4.661 4.949 -0.288 1
1 219 . 20 1 1 A 25 25 ILE C C 25 171.519 174.133 -2.614 1
1 220 . 20 1 1 A 25 25 ILE CA C 25 58.838 59.546 -0.708 1
1 221 . 20 1 1 A 25 25 ILE CB C 25 42.673 42.213 0.460 1
1 225 . 20 1 1 A 25 25 ILE N N 25 117.944 123.272 -5.328 1
1 226 . 20 1 1 A 26 26 SER H H 26 7.535 9.139 -1.604 1
1 227 . 20 1 1 A 26 26 SER HA H 26 4.885 5.201 -0.316 1
1 230 . 20 1 1 A 26 26 SER C C 26 174.052 174.092 -0.040 1
1 231 . 20 1 1 A 26 26 SER CA C 26 56.515 57.428 -0.913 1
1 232 . 20 1 1 A 26 26 SER CB C 26 65.131 64.875 0.256 1
1 233 . 20 1 1 A 26 26 SER N N 26 116.426 124.098 -7.672 1
1 234 . 20 1 1 A 27 27 PHE H H 27 8.271 8.384 -0.113 1
1 235 . 20 1 1 A 27 27 PHE HA H 27 4.934 5.219 -0.285 1
1 243 . 20 1 1 A 27 27 PHE C C 27 173.278 173.106 0.172 1
1 244 . 20 1 1 A 27 27 PHE CA C 27 53.758 54.840 -1.082 1
1 245 . 20 1 1 A 27 27 PHE CB C 27 37.379 41.684 -4.305 1
1 251 . 20 1 1 A 27 27 PHE N N 27 116.221 119.042 -2.821 1
1 252 . 20 1 1 A 28 28 PRO HA H 28 4.872 4.662 0.210 1
1 259 . 20 1 1 A 28 28 PRO C C 28 176.165 175.499 0.666 1
1 260 . 20 1 1 A 28 28 PRO CA C 28 61.019 62.448 -1.429 1
1 261 . 20 1 1 A 28 28 PRO CB C 28 32.410 32.803 -0.393 1
1 264 . 20 1 1 A 29 29 ALA H H 29 8.513 8.389 0.124 1
1 265 . 20 1 1 A 29 29 ALA HA H 29 3.822 4.679 -0.857 1
1 269 . 20 1 1 A 29 29 ALA C C 29 178.074 177.904 0.170 1
1 270 . 20 1 1 A 29 29 ALA CA C 29 52.670 52.111 0.559 1
1 271 . 20 1 1 A 29 29 ALA CB C 29 19.721 19.709 0.012 1
1 272 . 20 1 1 A 29 29 ALA N N 29 120.286 123.642 -3.356 1
1 273 . 20 1 1 A 30 30 GLY H H 30 8.022 8.434 -0.412 1
1 274 . 20 1 1 A 30 30 GLY HA2 H 30 3.956 4.099 -0.143 1
1 275 . 20 1 1 A 30 30 GLY HA3 H 30 3.733 4.099 -0.366 1
1 276 . 20 1 1 A 30 30 GLY C C 30 174.944 173.795 1.149 1
1 277 . 20 1 1 A 30 30 GLY CA C 30 46.739 45.139 1.600 1
1 278 . 20 1 1 A 30 30 GLY N N 30 110.746 111.263 -0.517 1
1 279 . 20 1 1 A 31 31 VAL H H 31 7.736 7.474 0.262 1
1 280 . 20 1 1 A 31 31 VAL HA H 31 4.753 4.879 -0.126 1
1 288 . 20 1 1 A 31 31 VAL C C 31 173.642 174.045 -0.403 1
1 289 . 20 1 1 A 31 31 VAL CA C 31 58.809 59.101 -0.292 1
1 290 . 20 1 1 A 31 31 VAL CB C 31 34.719 35.210 -0.491 1
1 293 . 20 1 1 A 31 31 VAL N N 31 112.109 115.666 -3.557 1
1 294 . 20 1 1 A 32 32 GLU H H 32 8.264 8.852 -0.588 1
1 295 . 20 1 1 A 32 32 GLU HA H 32 5.090 5.023 0.067 1
1 300 . 20 1 1 A 32 32 GLU C C 32 176.725 176.027 0.698 1
1 301 . 20 1 1 A 32 32 GLU CA C 32 55.713 55.297 0.416 1
1 302 . 20 1 1 A 32 32 GLU CB C 32 31.615 31.434 0.181 1
1 304 . 20 1 1 A 32 32 GLU N N 32 121.304 122.749 -1.445 1
1 305 . 20 1 1 A 33 33 VAL H H 33 9.136 8.847 0.289 1
1 306 . 20 1 1 A 33 33 VAL HA H 33 5.001 4.970 0.031 1
1 314 . 20 1 1 A 33 33 VAL C C 33 174.395 173.405 0.990 1
1 315 . 20 1 1 A 33 33 VAL CA C 33 58.765 58.662 0.103 1
1 316 . 20 1 1 A 33 33 VAL CB C 33 34.596 35.838 -1.242 1
1 319 . 20 1 1 A 33 33 VAL N N 33 117.728 119.785 -2.057 1
1 320 . 20 1 1 A 34 34 GLN H H 34 8.551 8.221 0.330 1
1 321 . 20 1 1 A 34 34 GLN HA H 34 5.052 5.023 0.029 1
1 328 . 20 1 1 A 34 34 GLN C C 34 175.752 174.377 1.375 1
1 329 . 20 1 1 A 34 34 GLN CA C 34 54.328 54.184 0.144 1
1 330 . 20 1 1 A 34 34 GLN CB C 34 30.760 31.450 -0.690 1
1 332 . 20 1 1 A 34 34 GLN N N 34 119.032 121.100 -2.068 1
1 334 . 20 1 1 A 35 35 VAL H H 35 9.180 8.753 0.427 1
1 335 . 20 1 1 A 35 35 VAL HA H 35 4.144 4.195 -0.051 1
1 343 . 20 1 1 A 35 35 VAL C C 35 175.602 175.247 0.355 1
1 344 . 20 1 1 A 35 35 VAL CA C 35 63.035 63.040 -0.005 1
1 345 . 20 1 1 A 35 35 VAL CB C 35 32.056 30.848 1.208 1
1 348 . 20 1 1 A 35 35 VAL N N 35 124.135 127.555 -3.420 1
1 349 . 20 1 1 A 36 36 LEU H H 36 9.175 8.624 0.551 1
1 350 . 20 1 1 A 36 36 LEU HA H 36 4.429 4.099 0.330 1
1 360 . 20 1 1 A 36 36 LEU C C 36 177.299 176.566 0.733 1
1 361 . 20 1 1 A 36 36 LEU CA C 36 55.785 57.296 -1.511 1
1 362 . 20 1 1 A 36 36 LEU CB C 36 42.924 42.454 0.470 1
1 366 . 20 1 1 A 36 36 LEU N N 36 129.320 129.662 -0.342 1
1 367 . 20 1 1 A 37 37 GLU H H 37 7.569 7.846 -0.277 1
1 368 . 20 1 1 A 37 37 GLU HA H 37 4.414 4.812 -0.398 1
1 373 . 20 1 1 A 37 37 GLU C C 37 174.132 174.308 -0.176 1
1 374 . 20 1 1 A 37 37 GLU CA C 37 56.244 54.827 1.417 1
1 375 . 20 1 1 A 37 37 GLU CB C 37 33.236 33.410 -0.174 1
1 377 . 20 1 1 A 37 37 GLU N N 37 116.925 115.788 1.137 1
1 378 . 20 1 1 A 38 38 LYS H H 38 8.693 8.600 0.093 1
1 379 . 20 1 1 A 38 38 LYS HA H 38 4.181 5.162 -0.981 1
1 388 . 20 1 1 A 38 38 LYS C C 38 175.877 175.445 0.432 1
1 389 . 20 1 1 A 38 38 LYS CA C 38 55.579 54.428 1.151 1
1 390 . 20 1 1 A 38 38 LYS CB C 38 34.965 35.113 -0.148 1
1 394 . 20 1 1 A 38 38 LYS N N 38 124.828 123.872 0.956 1
1 395 . 20 1 1 A 39 39 GLN H H 39 7.682 8.988 -1.306 1
1 396 . 20 1 1 A 39 39 GLN HA H 39 4.896 4.663 0.233 1
1 403 . 20 1 1 A 39 39 GLN C C 39 177.964 177.086 0.878 1
1 404 . 20 1 1 A 39 39 GLN CA C 39 55.324 55.248 0.076 1
1 405 . 20 1 1 A 39 39 GLN CB C 39 31.670 30.445 1.225 1
1 407 . 20 1 1 A 39 39 GLN N N 39 119.391 123.171 -3.780 1
1 409 . 20 1 1 A 40 40 GLU HA H 40 4.308 4.098 0.210 1
1 414 . 20 1 1 A 40 40 GLU C C 40 176.777 178.668 -1.891 1
1 415 . 20 1 1 A 40 40 GLU CA C 40 58.541 59.888 -1.347 1
1 416 . 20 1 1 A 40 40 GLU CB C 40 29.363 29.291 0.072 1
1 418 . 20 1 1 A 41 41 SER H H 41 7.986 8.239 -0.253 1
1 419 . 20 1 1 A 41 41 SER HA H 41 4.413 4.284 0.129 1
1 422 . 20 1 1 A 41 41 SER C C 41 175.434 174.861 0.573 1
1 423 . 20 1 1 A 41 41 SER CA C 41 58.707 62.140 -3.433 1
1 424 . 20 1 1 A 41 41 SER CB C 41 63.871 63.387 0.484 1
1 425 . 20 1 1 A 41 41 SER N N 41 113.216 117.449 -4.233 1
1 426 . 20 1 1 A 42 42 GLY H H 42 8.135 7.582 0.553 1
1 427 . 20 1 1 A 42 42 GLY HA2 H 42 4.347 3.997 0.350 1
1 428 . 20 1 1 A 42 42 GLY HA3 H 42 3.625 4.025 -0.400 1
1 429 . 20 1 1 A 42 42 GLY C C 42 173.338 174.792 -1.454 1
1 430 . 20 1 1 A 42 42 GLY CA C 42 44.998 45.459 -0.461 1
1 431 . 20 1 1 A 42 42 GLY N N 42 108.513 107.288 1.225 1
1 432 . 20 1 1 A 43 43 TRP H H 43 7.820 7.925 -0.105 1
1 433 . 20 1 1 A 43 43 TRP HA H 43 4.942 4.558 0.384 1
1 442 . 20 1 1 A 43 43 TRP C C 43 174.648 176.799 -2.151 1
1 443 . 20 1 1 A 43 43 TRP CA C 43 57.245 58.169 -0.924 1
1 444 . 20 1 1 A 43 43 TRP CB C 43 30.102 30.218 -0.116 1
1 450 . 20 1 1 A 43 43 TRP N N 43 122.320 120.341 1.979 1
1 452 . 20 1 1 A 44 44 TRP H H 44 9.769 9.061 0.708 1
1 453 . 20 1 1 A 44 44 TRP HA H 44 5.875 5.498 0.377 1
1 462 . 20 1 1 A 44 44 TRP C C 44 173.703 174.998 -1.295 1
1 463 . 20 1 1 A 44 44 TRP CA C 44 53.298 55.294 -1.996 1
1 464 . 20 1 1 A 44 44 TRP CB C 44 32.961 32.032 0.929 1
1 470 . 20 1 1 A 44 44 TRP N N 44 125.138 123.593 1.545 1
1 472 . 20 1 1 A 45 45 TYR H H 45 9.168 9.202 -0.034 1
1 473 . 20 1 1 A 45 45 TYR HA H 45 4.173 4.232 -0.059 1
1 480 . 20 1 1 A 45 45 TYR C C 45 175.086 174.584 0.502 1
1 481 . 20 1 1 A 45 45 TYR CA C 45 58.044 56.675 1.369 1
1 482 . 20 1 1 A 45 45 TYR CB C 45 38.792 38.250 0.542 1
1 487 . 20 1 1 A 45 45 TYR N N 45 127.429 125.141 2.288 1
1 488 . 20 1 1 A 46 46 VAL H H 46 8.689 8.950 -0.261 1
1 489 . 20 1 1 A 46 46 VAL HA H 46 5.142 4.936 0.206 1
1 497 . 20 1 1 A 46 46 VAL C C 46 172.384 173.579 -1.195 1
1 498 . 20 1 1 A 46 46 VAL CA C 46 59.010 59.321 -0.311 1
1 499 . 20 1 1 A 46 46 VAL CB C 46 35.502 34.000 1.502 1
1 502 . 20 1 1 A 46 46 VAL N N 46 124.245 122.057 2.188 1
1 503 . 20 1 1 A 47 47 ARG H H 47 9.049 8.160 0.889 1
1 504 . 20 1 1 A 47 47 ARG HA H 47 5.163 4.885 0.278 1
1 512 . 20 1 1 A 47 47 ARG C C 47 175.057 174.001 1.056 1
1 513 . 20 1 1 A 47 47 ARG CA C 47 54.158 54.362 -0.204 1
1 514 . 20 1 1 A 47 47 ARG CB C 47 34.146 33.549 0.597 1
1 517 . 20 1 1 A 47 47 ARG N N 47 120.700 121.466 -0.766 1
1 519 . 20 1 1 A 48 48 PHE H H 48 9.042 8.939 0.103 1
1 520 . 20 1 1 A 48 48 PHE HA H 48 5.296 4.741 0.555 1
1 528 . 20 1 1 A 48 48 PHE C C 48 175.133 175.604 -0.471 1
1 529 . 20 1 1 A 48 48 PHE CA C 48 54.446 57.181 -2.735 1
1 530 . 20 1 1 A 48 48 PHE CB C 48 40.369 40.731 -0.362 1
1 536 . 20 1 1 A 48 48 PHE N N 48 128.029 127.950 0.079 1
1 537 . 20 1 1 A 49 49 GLY H H 49 9.103 8.833 0.270 1
1 538 . 20 1 1 A 49 49 GLY HA2 H 49 3.644 3.553 0.091 1
1 539 . 20 1 1 A 49 49 GLY HA3 H 49 3.503 3.700 -0.197 1
1 540 . 20 1 1 A 49 49 GLY C C 49 174.287 174.943 -0.656 1
1 541 . 20 1 1 A 49 49 GLY CA C 49 47.008 47.146 -0.138 1
1 542 . 20 1 1 A 49 49 GLY N N 49 118.890 115.791 3.099 1
1 543 . 20 1 1 A 50 50 GLU H H 50 8.920 8.703 0.217 1
1 544 . 20 1 1 A 50 50 GLU HA H 50 4.333 4.319 0.014 1
1 549 . 20 1 1 A 50 50 GLU C C 50 176.000 176.139 -0.139 1
1 550 . 20 1 1 A 50 50 GLU CA C 50 56.080 57.008 -0.928 1
1 551 . 20 1 1 A 50 50 GLU CB C 50 30.022 30.305 -0.283 1
1 553 . 20 1 1 A 50 50 GLU N N 50 125.280 126.381 -1.101 1
1 554 . 20 1 1 A 51 51 LEU H H 51 7.792 7.462 0.330 1
1 555 . 20 1 1 A 51 51 LEU HA H 51 4.635 4.795 -0.160 1
1 565 . 20 1 1 A 51 51 LEU C C 51 175.050 175.783 -0.733 1
1 566 . 20 1 1 A 51 51 LEU CA C 51 54.074 53.176 0.898 1
1 567 . 20 1 1 A 51 51 LEU CB C 51 44.171 45.582 -1.411 1
1 571 . 20 1 1 A 51 51 LEU N N 51 121.706 122.144 -0.438 1
1 572 . 20 1 1 A 52 52 GLU H H 52 8.165 8.686 -0.521 1
1 573 . 20 1 1 A 52 52 GLU HA H 52 5.476 5.052 0.424 1
1 578 . 20 1 1 A 52 52 GLU C C 52 176.062 175.441 0.621 1
1 579 . 20 1 1 A 52 52 GLU CA C 52 53.810 55.038 -1.228 1
1 580 . 20 1 1 A 52 52 GLU CB C 52 33.486 32.959 0.527 1
1 582 . 20 1 1 A 52 52 GLU N N 52 116.700 118.944 -2.244 1
1 583 . 20 1 1 A 53 53 GLY H H 53 8.091 8.490 -0.399 1
1 584 . 20 1 1 A 53 53 GLY HA2 H 53 3.882 4.529 -0.647 1
1 585 . 20 1 1 A 53 53 GLY HA3 H 53 3.730 4.607 -0.877 1
1 586 . 20 1 1 A 53 53 GLY C C 53 170.279 171.769 -1.490 1
1 587 . 20 1 1 A 53 53 GLY CA C 53 45.344 44.784 0.560 1
1 588 . 20 1 1 A 53 53 GLY N N 53 106.613 110.720 -4.107 1
1 589 . 20 1 1 A 54 54 TRP H H 54 8.595 8.988 -0.393 1
1 590 . 20 1 1 A 54 54 TRP HA H 54 5.348 5.739 -0.391 1
1 599 . 20 1 1 A 54 54 TRP C C 54 175.873 176.275 -0.402 1
1 600 . 20 1 1 A 54 54 TRP CA C 54 57.602 56.916 0.686 1
1 601 . 20 1 1 A 54 54 TRP CB C 54 31.176 30.468 0.708 1
1 607 . 20 1 1 A 54 54 TRP N N 54 120.550 120.418 0.132 1
1 609 . 20 1 1 A 55 55 ALA H H 55 9.993 9.538 0.455 1
1 610 . 20 1 1 A 55 55 ALA HA H 55 4.978 4.522 0.456 1
1 614 . 20 1 1 A 55 55 ALA C C 55 173.642 174.709 -1.067 1
1 615 . 20 1 1 A 55 55 ALA CA C 55 49.335 49.059 0.276 1
1 616 . 20 1 1 A 55 55 ALA CB C 55 22.101 21.499 0.602 1
1 617 . 20 1 1 A 55 55 ALA N N 55 122.386 127.839 -5.453 1
1 618 . 20 1 1 A 56 56 PRO HA H 56 3.586 3.925 -0.339 1
1 625 . 20 1 1 A 56 56 PRO C C 56 178.765 176.664 2.101 1
1 626 . 20 1 1 A 56 56 PRO CA C 56 61.218 62.262 -1.044 1
1 627 . 20 1 1 A 56 56 PRO CB C 56 30.430 32.253 -1.823 1
1 630 . 20 1 1 A 57 57 SER H H 57 8.187 7.220 0.967 1
1 631 . 20 1 1 A 57 57 SER HA H 57 2.721 3.470 -0.749 1
1 634 . 20 1 1 A 57 57 SER C C 57 175.094 175.724 -0.630 1
1 635 . 20 1 1 A 57 57 SER CA C 57 60.865 59.483 1.382 1
1 636 . 20 1 1 A 57 57 SER CB C 57 60.645 61.753 -1.108 1
1 637 . 20 1 1 A 57 57 SER N N 57 120.088 118.104 1.984 1
1 638 . 20 1 1 A 58 58 HIS H H 58 7.482 7.181 0.301 1
1 639 . 20 1 1 A 58 58 HIS HA H 58 4.433 4.158 0.275 1
1 644 . 20 1 1 A 58 58 HIS C C 58 175.763 177.054 -1.291 1
1 645 . 20 1 1 A 58 58 HIS CA C 58 56.938 59.267 -2.329 1
1 646 . 20 1 1 A 58 58 HIS CB C 58 28.597 29.991 -1.394 1
1 649 . 20 1 1 A 58 58 HIS N N 58 115.490 119.014 -3.524 1
1 650 . 20 1 1 A 59 59 TYR H H 59 7.251 7.363 -0.112 1
1 651 . 20 1 1 A 59 59 TYR HA H 59 4.366 4.323 0.043 1
1 658 . 20 1 1 A 59 59 TYR C C 59 173.874 176.090 -2.216 1
1 659 . 20 1 1 A 59 59 TYR CA C 59 58.862 59.883 -1.021 1
1 660 . 20 1 1 A 59 59 TYR CB C 59 36.586 39.577 -2.991 1
1 665 . 20 1 1 A 59 59 TYR N N 59 120.460 116.359 4.101 1
1 666 . 20 1 1 A 60 60 LEU H H 60 7.574 7.373 0.201 1
1 667 . 20 1 1 A 60 60 LEU HA H 60 4.964 4.324 0.640 1
1 677 . 20 1 1 A 60 60 LEU C C 60 175.663 176.342 -0.679 1
1 678 . 20 1 1 A 60 60 LEU CA C 60 53.709 54.923 -1.214 1
1 679 . 20 1 1 A 60 60 LEU CB C 60 42.879 42.725 0.154 1
1 683 . 20 1 1 A 60 60 LEU N N 60 121.690 119.924 1.766 1
1 684 . 20 1 1 A 61 61 VAL H H 61 9.082 9.183 -0.101 1
1 685 . 20 1 1 A 61 61 VAL HA H 61 4.309 4.624 -0.315 1
1 693 . 20 1 1 A 61 61 VAL C C 61 174.803 175.224 -0.421 1
1 694 . 20 1 1 A 61 61 VAL CA C 61 61.381 61.778 -0.397 1
1 695 . 20 1 1 A 61 61 VAL CB C 61 33.607 32.653 0.954 1
1 698 . 20 1 1 A 61 61 VAL N N 61 119.010 124.990 -5.980 1
1 699 . 20 1 1 A 62 62 LEU H H 62 8.307 8.494 -0.187 1
1 700 . 20 1 1 A 62 62 LEU HA H 62 4.288 4.870 -0.582 1
1 710 . 20 1 1 A 62 62 LEU C C 62 176.976 176.118 0.858 1
1 711 . 20 1 1 A 62 62 LEU CA C 62 54.807 53.457 1.350 1
1 712 . 20 1 1 A 62 62 LEU CB C 62 42.932 44.002 -1.070 1
1 716 . 20 1 1 A 62 62 LEU N N 62 127.895 124.980 2.915 1
1 717 . 20 1 1 A 63 63 ASP H H 63 8.475 8.992 -0.517 1
1 718 . 20 1 1 A 63 63 ASP HA H 63 4.595 4.260 0.335 1
1 721 . 20 1 1 A 63 63 ASP C C 63 176.269 175.801 0.468 1
1 722 . 20 1 1 A 63 63 ASP CA C 63 53.903 55.150 -1.247 1
1 723 . 20 1 1 A 63 63 ASP CB C 63 41.618 40.105 1.513 1
1 724 . 20 1 1 A 63 63 ASP N N 63 122.904 118.928 3.976 1
1 725 . 20 1 1 A 64 64 GLU H H 64 8.528 8.003 0.525 1
1 726 . 20 1 1 A 64 64 GLU HA H 64 4.220 4.679 -0.459 1
1 731 . 20 1 1 A 64 64 GLU C C 64 176.504 175.830 0.674 1
1 732 . 20 1 1 A 64 64 GLU CA C 64 57.043 54.885 2.158 1
1 733 . 20 1 1 A 64 64 GLU CB C 64 30.214 30.668 -0.454 1
1 735 . 20 1 1 A 64 64 GLU N N 64 122.471 118.916 3.555 1
1 736 . 20 1 1 A 65 65 ASN H H 65 8.523 8.914 -0.391 1
1 737 . 20 1 1 A 65 65 ASN HA H 65 4.661 4.319 0.342 1
1 742 . 20 1 1 A 65 65 ASN C C 65 175.223 173.974 1.249 1
1 743 . 20 1 1 A 65 65 ASN CA C 65 53.674 54.168 -0.494 1
1 744 . 20 1 1 A 65 65 ASN CB C 65 39.088 37.368 1.720 1
1 745 . 20 1 1 A 65 65 ASN N N 65 118.895 124.036 -5.141 1
1 747 . 20 1 1 A 66 66 GLU H H 66 8.222 7.625 0.597 1
1 748 . 20 1 1 A 66 66 GLU HA H 66 4.293 4.988 -0.695 1
1 753 . 20 1 1 A 66 66 GLU C C 66 176.054 174.624 1.430 1
1 754 . 20 1 1 A 66 66 GLU CA C 66 56.432 54.400 2.032 1
1 755 . 20 1 1 A 66 66 GLU CB C 66 30.476 32.737 -2.261 1
1 757 . 20 1 1 A 66 66 GLU N N 66 120.919 114.132 6.787 1
1 758 . 20 1 1 A 67 67 GLN H H 67 8.293 8.536 -0.243 1
1 759 . 20 1 1 A 67 67 GLN HA H 67 4.582 4.941 -0.359 1
1 766 . 20 1 1 A 67 67 GLN C C 67 173.836 173.987 -0.151 1
1 767 . 20 1 1 A 67 67 GLN CA C 67 53.593 53.554 0.039 1
1 768 . 20 1 1 A 67 67 GLN CB C 67 28.949 30.526 -1.577 1
1 770 . 20 1 1 A 67 67 GLN N N 67 122.295 119.235 3.060 1
1 772 . 20 1 1 A 68 68 PRO HA H 68 4.401 4.773 -0.372 1
1 779 . 20 1 1 A 68 68 PRO CA C 68 62.882 63.014 -0.132 1
1 780 . 20 1 1 A 68 68 PRO CB C 68 32.175 32.734 -0.559 1
1 783 . 20 1 1 A 69 69 ASP H H 69 8.502 8.966 -0.464 1
1 784 . 20 1 1 A 69 69 ASP HA H 69 4.836 5.052 -0.216 1
1 787 . 20 1 1 A 69 69 ASP CA C 69 51.945 51.357 0.588 1
1 788 . 20 1 1 A 69 69 ASP CB C 69 41.305 44.300 -2.995 1
1 789 . 20 1 1 A 69 69 ASP N N 69 121.937 122.022 -0.085 1
1 790 . 20 1 1 A 70 70 PRO HA H 70 4.437 4.745 -0.308 1
1 797 . 20 1 1 A 70 70 PRO C C 70 177.484 175.082 2.402 1
1 798 . 20 1 1 A 70 70 PRO CA C 70 63.777 62.694 1.083 1
1 799 . 20 1 1 A 70 70 PRO CB C 70 32.027 32.957 -0.930 1
1 802 . 20 1 1 A 71 71 SER H H 71 8.506 8.617 -0.111 1
1 803 . 20 1 1 A 71 71 SER HA H 71 4.364 5.089 -0.725 1
1 806 . 20 1 1 A 71 71 SER C C 71 175.439 172.796 2.643 1
1 807 . 20 1 1 A 71 71 SER CA C 71 59.261 56.374 2.887 1
1 808 . 20 1 1 A 71 71 SER CB C 71 63.771 66.448 -2.677 1
1 809 . 20 1 1 A 71 71 SER N N 71 115.901 115.661 0.240 1
1 810 . 20 1 1 A 72 72 GLY H H 72 8.258 8.557 -0.299 1
1 811 . 20 1 1 A 72 72 GLY HA2 H 72 3.958 4.209 -0.251 1
1 812 . 20 1 1 A 72 72 GLY HA3 H 72 3.958 4.211 -0.253 1
1 813 . 20 1 1 A 72 72 GLY C C 72 174.314 174.226 0.088 1
1 814 . 20 1 1 A 72 72 GLY CA C 72 45.469 45.027 0.442 1
1 815 . 20 1 1 A 72 72 GLY N N 72 110.595 110.082 0.513 1
1 816 . 20 1 1 A 73 73 LYS H H 73 8.052 8.471 -0.419 1
1 817 . 20 1 1 A 73 73 LYS HA H 73 4.305 4.227 0.078 1
1 826 . 20 1 1 A 73 73 LYS C C 73 176.792 176.570 0.222 1
1 827 . 20 1 1 A 73 73 LYS CA C 73 56.420 56.491 -0.071 1
1 828 . 20 1 1 A 73 73 LYS CB C 73 33.082 32.706 0.376 1
1 832 . 20 1 1 A 73 73 LYS N N 73 120.614 123.262 -2.648 1
1 833 . 20 1 1 A 74 74 GLU H H 74 8.559 8.988 -0.429 1
1 834 . 20 1 1 A 74 74 GLU HA H 74 4.305 4.965 -0.660 1
1 839 . 20 1 1 A 74 74 GLU C C 74 176.648 174.554 2.094 1
1 840 . 20 1 1 A 74 74 GLU CA C 74 56.446 54.371 2.075 1
1 841 . 20 1 1 A 74 74 GLU CB C 74 30.215 33.126 -2.911 1
1 843 . 20 1 1 A 74 74 GLU N N 74 122.000 119.696 2.304 1
1 844 . 20 1 1 A 75 75 SER H H 75 8.364 8.532 -0.168 1
1 845 . 20 1 1 A 75 75 SER HA H 75 4.450 4.448 0.002 1
1 846 . 20 1 1 A 75 75 SER C C 75 174.540 174.169 0.371 1
1 847 . 20 1 1 A 75 75 SER CA C 75 58.538 58.802 -0.264 1
1 848 . 20 1 1 A 75 75 SER CB C 75 63.977 63.925 0.052 1
1 849 . 20 1 1 A 75 75 SER N N 75 116.992 117.099 -0.107 1
1 850 . 20 1 1 A 76 76 GLY H H 76 8.243 8.110 0.133 1
1 851 . 20 1 1 A 76 76 GLY HA2 H 76 4.157 4.166 -0.009 1
1 852 . 20 1 1 A 76 76 GLY HA3 H 76 4.058 4.166 -0.108 1
1 853 . 20 1 1 A 76 76 GLY CA C 76 44.680 45.615 -0.935 1
1 854 . 20 1 1 A 76 76 GLY N N 76 110.704 110.295 0.409 1
1 855 . 20 1 1 A 77 77 PRO HA H 77 4.463 4.603 -0.140 1
1 862 . 20 1 1 A 77 77 PRO C C 77 177.454 175.872 1.582 1
1 863 . 20 1 1 A 77 77 PRO CA C 77 63.202 62.563 0.639 1
1 864 . 20 1 1 A 77 77 PRO CB C 77 32.276 33.308 -1.032 1
1 867 . 20 1 1 A 78 78 SER H H 78 8.535 8.379 0.156 1
1 870 . 20 1 1 A 78 78 SER C C 78 174.735 173.136 1.599 1
1 871 . 20 1 1 A 78 78 SER CA C 78 58.373 56.677 1.696 1
1 872 . 20 1 1 A 78 78 SER CB C 78 63.977 66.042 -2.065 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 1.121 1
2 1 1 1 "RMS(OBS, PRED)" CA 73 1.187 1
3 1 1 1 "RMS(OBS, PRED)" CB 66 1.436 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.515 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.393 1
6 1 1 1 "RMS(OBS, PRED)" N 65 3.069 1
7 1 2 1 "RMS(OBS, PRED)" C 69 1.056 1
8 1 2 1 "RMS(OBS, PRED)" CA 73 1.192 1
9 1 2 1 "RMS(OBS, PRED)" CB 66 1.198 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.532 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.356 1
12 1 2 1 "RMS(OBS, PRED)" N 65 2.823 1
13 1 3 1 "RMS(OBS, PRED)" C 69 1.204 1
14 1 3 1 "RMS(OBS, PRED)" CA 73 1.259 1
15 1 3 1 "RMS(OBS, PRED)" CB 66 1.467 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.530 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.389 1
18 1 3 1 "RMS(OBS, PRED)" N 65 2.928 1
19 1 4 1 "RMS(OBS, PRED)" C 69 1.131 1
20 1 4 1 "RMS(OBS, PRED)" CA 73 1.295 1
21 1 4 1 "RMS(OBS, PRED)" CB 66 1.418 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.376 1
24 1 4 1 "RMS(OBS, PRED)" N 65 2.867 1
25 1 5 1 "RMS(OBS, PRED)" C 69 1.157 1
26 1 5 1 "RMS(OBS, PRED)" CA 73 1.314 1
27 1 5 1 "RMS(OBS, PRED)" CB 66 1.447 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.522 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.387 1
30 1 5 1 "RMS(OBS, PRED)" N 65 2.706 1
31 1 6 1 "RMS(OBS, PRED)" C 69 1.185 1
32 1 6 1 "RMS(OBS, PRED)" CA 73 1.291 1
33 1 6 1 "RMS(OBS, PRED)" CB 66 1.358 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.523 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.425 1
36 1 6 1 "RMS(OBS, PRED)" N 65 2.891 1
37 1 7 1 "RMS(OBS, PRED)" C 69 1.139 1
38 1 7 1 "RMS(OBS, PRED)" CA 73 1.304 1
39 1 7 1 "RMS(OBS, PRED)" CB 66 1.359 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.511 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.398 1
42 1 7 1 "RMS(OBS, PRED)" N 65 2.845 1
43 1 8 1 "RMS(OBS, PRED)" C 69 1.187 1
44 1 8 1 "RMS(OBS, PRED)" CA 73 1.164 1
45 1 8 1 "RMS(OBS, PRED)" CB 66 1.440 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.487 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.389 1
48 1 8 1 "RMS(OBS, PRED)" N 65 2.677 1
49 1 9 1 "RMS(OBS, PRED)" C 69 1.155 1
50 1 9 1 "RMS(OBS, PRED)" CA 73 1.173 1
51 1 9 1 "RMS(OBS, PRED)" CB 66 1.432 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.484 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.395 1
54 1 9 1 "RMS(OBS, PRED)" N 65 2.668 1
55 1 10 1 "RMS(OBS, PRED)" C 69 1.134 1
56 1 10 1 "RMS(OBS, PRED)" CA 73 1.283 1
57 1 10 1 "RMS(OBS, PRED)" CB 66 1.267 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.511 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.369 1
60 1 10 1 "RMS(OBS, PRED)" N 65 2.859 1
61 1 11 1 "RMS(OBS, PRED)" C 69 1.165 1
62 1 11 1 "RMS(OBS, PRED)" CA 73 1.207 1
63 1 11 1 "RMS(OBS, PRED)" CB 66 1.273 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.524 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.395 1
66 1 11 1 "RMS(OBS, PRED)" N 65 2.942 1
67 1 12 1 "RMS(OBS, PRED)" C 69 1.146 1
68 1 12 1 "RMS(OBS, PRED)" CA 73 1.213 1
69 1 12 1 "RMS(OBS, PRED)" CB 66 1.384 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.527 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.387 1
72 1 12 1 "RMS(OBS, PRED)" N 65 2.905 1
73 1 13 1 "RMS(OBS, PRED)" C 69 1.103 1
74 1 13 1 "RMS(OBS, PRED)" CA 73 1.164 1
75 1 13 1 "RMS(OBS, PRED)" CB 66 1.244 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.505 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.354 1
78 1 13 1 "RMS(OBS, PRED)" N 65 2.967 1
79 1 14 1 "RMS(OBS, PRED)" C 69 1.213 1
80 1 14 1 "RMS(OBS, PRED)" CA 73 1.317 1
81 1 14 1 "RMS(OBS, PRED)" CB 66 1.344 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.530 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.371 1
84 1 14 1 "RMS(OBS, PRED)" N 65 2.963 1
85 1 15 1 "RMS(OBS, PRED)" C 69 1.147 1
86 1 15 1 "RMS(OBS, PRED)" CA 73 1.270 1
87 1 15 1 "RMS(OBS, PRED)" CB 66 1.392 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.525 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.405 1
90 1 15 1 "RMS(OBS, PRED)" N 65 2.782 1
91 1 16 1 "RMS(OBS, PRED)" C 69 1.206 1
92 1 16 1 "RMS(OBS, PRED)" CA 73 1.208 1
93 1 16 1 "RMS(OBS, PRED)" CB 66 1.292 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.510 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.387 1
96 1 16 1 "RMS(OBS, PRED)" N 65 2.777 1
97 1 17 1 "RMS(OBS, PRED)" C 69 1.319 1
98 1 17 1 "RMS(OBS, PRED)" CA 73 1.154 1
99 1 17 1 "RMS(OBS, PRED)" CB 66 1.639 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.514 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.451 1
102 1 17 1 "RMS(OBS, PRED)" N 65 2.715 1
103 1 18 1 "RMS(OBS, PRED)" C 69 1.163 1
104 1 18 1 "RMS(OBS, PRED)" CA 73 1.113 1
105 1 18 1 "RMS(OBS, PRED)" CB 66 1.222 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.508 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.343 1
108 1 18 1 "RMS(OBS, PRED)" N 65 2.714 1
109 1 19 1 "RMS(OBS, PRED)" C 69 1.099 1
110 1 19 1 "RMS(OBS, PRED)" CA 73 1.235 1
111 1 19 1 "RMS(OBS, PRED)" CB 66 1.466 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.504 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.376 1
114 1 19 1 "RMS(OBS, PRED)" N 65 2.821 1
115 1 20 1 "RMS(OBS, PRED)" C 69 1.233 1
116 1 20 1 "RMS(OBS, PRED)" CA 73 1.294 1
117 1 20 1 "RMS(OBS, PRED)" CB 66 1.386 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.524 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.395 1
120 1 20 1 "RMS(OBS, PRED)" N 65 3.096 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.494 4.648 -0.154 2
1 2 . 1 1 A 6 6 SER CA C 6 58.785 58.185 0.600 2
1 3 . 1 1 A 6 6 SER CB C 6 63.483 63.503 -0.020 2
1 4 . 1 1 A 7 7 GLY H H 7 8.367 8.390 -0.023 2
1 5 . 1 1 A 7 7 GLY HA2 H 7 3.955 4.076 -0.121 2
1 6 . 1 1 A 7 7 GLY HA3 H 7 3.955 4.078 -0.123 2
1 7 . 1 1 A 7 7 GLY C C 7 173.640 173.296 0.344 2
1 8 . 1 1 A 7 7 GLY CA C 7 45.215 45.528 -0.313 2
1 9 . 1 1 A 7 7 GLY N N 7 110.787 110.696 0.091 2
1 10 . 1 1 A 8 8 ALA H H 8 8.126 8.036 0.090 2
1 11 . 1 1 A 8 8 ALA HA H 8 4.458 4.737 -0.279 2
1 15 . 1 1 A 8 8 ALA C C 8 177.711 175.843 1.868 2
1 16 . 1 1 A 8 8 ALA CA C 8 52.493 51.451 1.042 2
1 17 . 1 1 A 8 8 ALA CB C 8 19.761 21.799 -2.038 2
1 18 . 1 1 A 8 8 ALA N N 8 123.680 123.328 0.352 2
1 19 . 1 1 A 9 9 THR H H 9 8.254 8.695 -0.441 2
1 20 . 1 1 A 9 9 THR HA H 9 4.527 4.962 -0.435 2
1 25 . 1 1 A 9 9 THR C C 9 174.050 173.455 0.595 2
1 26 . 1 1 A 9 9 THR CA C 9 61.874 61.322 0.552 2
1 27 . 1 1 A 9 9 THR CB C 9 70.580 71.476 -0.896 2
1 29 . 1 1 A 9 9 THR N N 9 113.196 114.057 -0.861 2
1 30 . 1 1 A 10 10 SER H H 10 8.264 8.907 -0.643 2
1 31 . 1 1 A 10 10 SER HA H 10 5.228 5.476 -0.248 2
1 34 . 1 1 A 10 10 SER C C 10 173.318 173.455 -0.137 2
1 35 . 1 1 A 10 10 SER CA C 10 58.404 57.584 0.820 2
1 36 . 1 1 A 10 10 SER CB C 10 64.098 64.543 -0.445 2
1 37 . 1 1 A 10 10 SER N N 10 120.509 121.353 -0.844 2
1 38 . 1 1 A 11 11 TYR H H 11 8.957 9.176 -0.219 2
1 39 . 1 1 A 11 11 TYR HA H 11 4.793 5.217 -0.424 2
1 46 . 1 1 A 11 11 TYR C C 11 174.111 174.485 -0.374 2
1 47 . 1 1 A 11 11 TYR CA C 11 57.097 56.507 0.590 2
1 48 . 1 1 A 11 11 TYR CB C 11 43.764 42.758 1.006 2
1 53 . 1 1 A 11 11 TYR N N 11 124.069 122.601 1.468 2
1 54 . 1 1 A 12 12 MET H H 12 8.985 8.830 0.155 2
1 55 . 1 1 A 12 12 MET HA H 12 5.463 5.220 0.243 2
1 63 . 1 1 A 12 12 MET C C 12 177.045 175.348 1.697 2
1 64 . 1 1 A 12 12 MET CA C 12 52.215 54.033 -1.818 2
1 65 . 1 1 A 12 12 MET CB C 12 33.195 35.364 -2.169 2
1 68 . 1 1 A 12 12 MET N N 12 118.428 120.734 -2.306 2
1 69 . 1 1 A 13 13 THR H H 13 9.132 8.695 0.437 2
1 70 . 1 1 A 13 13 THR HA H 13 4.872 4.657 0.215 2
1 75 . 1 1 A 13 13 THR C C 13 177.032 174.723 2.309 2
1 76 . 1 1 A 13 13 THR CA C 13 60.003 61.551 -1.548 2
1 77 . 1 1 A 13 13 THR CB C 13 69.597 69.743 -0.146 2
1 79 . 1 1 A 13 13 THR N N 13 113.981 115.671 -1.690 2
1 80 . 1 1 A 14 14 CYS H H 14 9.504 8.674 0.830 2
1 81 . 1 1 A 14 14 CYS HA H 14 4.806 4.550 0.256 2
1 84 . 1 1 A 14 14 CYS C C 14 173.712 174.276 -0.564 2
1 85 . 1 1 A 14 14 CYS CA C 14 57.209 59.694 -2.485 2
1 86 . 1 1 A 14 14 CYS CB C 14 28.772 28.942 -0.170 2
1 87 . 1 1 A 14 14 CYS N N 14 122.485 121.884 0.601 2
1 88 . 1 1 A 15 15 SER H H 15 7.796 7.801 -0.005 2
1 89 . 1 1 A 15 15 SER HA H 15 4.578 4.845 -0.267 2
1 92 . 1 1 A 15 15 SER C C 15 171.037 172.780 -1.743 2
1 93 . 1 1 A 15 15 SER CA C 15 56.858 57.331 -0.473 2
1 94 . 1 1 A 15 15 SER CB C 15 66.124 66.267 -0.143 2
1 95 . 1 1 A 15 15 SER N N 15 116.311 114.282 2.029 2
1 96 . 1 1 A 16 16 ALA H H 16 8.398 8.497 -0.099 2
1 97 . 1 1 A 16 16 ALA HA H 16 4.582 4.887 -0.305 2
1 101 . 1 1 A 16 16 ALA C C 16 176.897 176.142 0.756 2
1 102 . 1 1 A 16 16 ALA CA C 16 52.085 51.470 0.615 2
1 103 . 1 1 A 16 16 ALA CB C 16 19.720 19.696 0.024 2
1 104 . 1 1 A 16 16 ALA N N 16 124.071 126.055 -1.984 2
1 105 . 1 1 A 17 17 TYR H H 17 8.401 8.171 0.230 2
1 106 . 1 1 A 17 17 TYR HA H 17 4.384 4.894 -0.510 2
1 113 . 1 1 A 17 17 TYR C C 17 173.836 173.979 -0.143 2
1 114 . 1 1 A 17 17 TYR CA C 17 57.801 57.237 0.564 2
1 115 . 1 1 A 17 17 TYR CB C 17 42.166 40.383 1.783 2
1 120 . 1 1 A 17 17 TYR N N 17 121.997 125.858 -3.861 2
1 121 . 1 1 A 18 18 GLN H H 18 6.844 8.070 -1.226 2
1 122 . 1 1 A 18 18 GLN HA H 18 4.318 4.589 -0.271 2
1 129 . 1 1 A 18 18 GLN C C 18 172.990 174.779 -1.789 2
1 130 . 1 1 A 18 18 GLN CA C 18 52.767 53.787 -1.020 2
1 131 . 1 1 A 18 18 GLN CB C 18 29.940 31.013 -1.073 2
1 133 . 1 1 A 18 18 GLN N N 18 127.603 126.376 1.227 2
1 135 . 1 1 A 19 19 LYS H H 19 8.155 8.340 -0.185 2
1 136 . 1 1 A 19 19 LYS HA H 19 4.130 4.592 -0.462 2
1 145 . 1 1 A 19 19 LYS C C 19 175.995 176.352 -0.357 2
1 146 . 1 1 A 19 19 LYS CA C 19 56.489 56.002 0.487 2
1 147 . 1 1 A 19 19 LYS CB C 19 33.369 33.259 0.110 2
1 151 . 1 1 A 19 19 LYS N N 19 123.114 122.931 0.183 2
1 152 . 1 1 A 20 20 VAL H H 20 8.679 8.822 -0.143 2
1 153 . 1 1 A 20 20 VAL HA H 20 4.153 4.125 0.028 2
1 161 . 1 1 A 20 20 VAL C C 20 176.493 175.608 0.885 2
1 162 . 1 1 A 20 20 VAL CA C 20 62.520 63.608 -1.088 2
1 163 . 1 1 A 20 20 VAL CB C 20 32.847 33.019 -0.172 2
1 166 . 1 1 A 20 20 VAL N N 20 120.106 121.164 -1.058 2
1 167 . 1 1 A 21 21 GLN H H 21 7.133 7.707 -0.574 2
1 168 . 1 1 A 21 21 GLN HA H 21 4.582 4.724 -0.142 2
1 175 . 1 1 A 21 21 GLN C C 21 177.019 176.157 0.862 2
1 176 . 1 1 A 21 21 GLN CA C 21 54.291 54.271 0.020 2
1 177 . 1 1 A 21 21 GLN CB C 21 31.023 31.646 -0.624 2
1 179 . 1 1 A 21 21 GLN N N 21 116.079 119.173 -3.094 2
1 181 . 1 1 A 22 22 ASP H H 22 8.858 9.004 -0.146 2
1 182 . 1 1 A 22 22 ASP HA H 22 4.318 4.348 -0.030 2
1 185 . 1 1 A 22 22 ASP C C 22 176.746 178.452 -1.706 2
1 186 . 1 1 A 22 22 ASP CA C 22 57.752 57.140 0.612 2
1 187 . 1 1 A 22 22 ASP CB C 22 40.859 40.190 0.669 2
1 188 . 1 1 A 22 22 ASP N N 22 120.173 122.985 -2.812 2
1 189 . 1 1 A 23 23 SER H H 23 7.860 8.105 -0.245 2
1 190 . 1 1 A 23 23 SER HA H 23 4.648 4.317 0.331 2
1 193 . 1 1 A 23 23 SER C C 23 175.526 175.412 0.114 2
1 194 . 1 1 A 23 23 SER CA C 23 58.597 61.650 -3.053 2
1 195 . 1 1 A 23 23 SER CB C 23 62.993 63.145 -0.152 2
1 196 . 1 1 A 23 23 SER N N 23 110.013 114.841 -4.828 2
1 197 . 1 1 A 24 24 GLU H H 24 7.579 8.157 -0.578 2
1 198 . 1 1 A 24 24 GLU HA H 24 5.574 4.725 0.849 2
1 203 . 1 1 A 24 24 GLU C C 24 174.394 175.395 -1.001 2
1 204 . 1 1 A 24 24 GLU CA C 24 55.633 56.967 -1.334 2
1 205 . 1 1 A 24 24 GLU CB C 24 32.848 30.898 1.950 2
1 207 . 1 1 A 24 24 GLU N N 24 122.542 119.406 3.136 2
1 208 . 1 1 A 25 25 ILE H H 25 7.894 8.859 -0.965 2
1 209 . 1 1 A 25 25 ILE HA H 25 4.661 4.981 -0.320 2
1 219 . 1 1 A 25 25 ILE C C 25 171.519 174.205 -2.686 2
1 220 . 1 1 A 25 25 ILE CA C 25 58.838 59.483 -0.645 2
1 221 . 1 1 A 25 25 ILE CB C 25 42.673 42.247 0.426 2
1 225 . 1 1 A 25 25 ILE N N 25 117.944 123.219 -5.275 2
1 226 . 1 1 A 26 26 SER H H 26 7.535 9.086 -1.551 2
1 227 . 1 1 A 26 26 SER HA H 26 4.885 5.296 -0.411 2
1 230 . 1 1 A 26 26 SER C C 26 174.052 174.013 0.039 2
1 231 . 1 1 A 26 26 SER CA C 26 56.515 57.350 -0.835 2
1 232 . 1 1 A 26 26 SER CB C 26 65.131 64.820 0.311 2
1 233 . 1 1 A 26 26 SER N N 26 116.426 124.143 -7.717 2
1 234 . 1 1 A 27 27 PHE H H 27 8.271 8.278 -0.007 2
1 235 . 1 1 A 27 27 PHE HA H 27 4.934 5.224 -0.290 2
1 243 . 1 1 A 27 27 PHE C C 27 173.278 173.115 0.163 2
1 244 . 1 1 A 27 27 PHE CA C 27 53.758 54.803 -1.045 2
1 245 . 1 1 A 27 27 PHE CB C 27 37.379 41.765 -4.386 2
1 251 . 1 1 A 27 27 PHE N N 27 116.221 119.045 -2.824 2
1 252 . 1 1 A 28 28 PRO HA H 28 4.872 4.671 0.201 2
1 259 . 1 1 A 28 28 PRO C C 28 176.165 175.631 0.534 2
1 260 . 1 1 A 28 28 PRO CA C 28 61.019 62.484 -1.466 2
1 261 . 1 1 A 28 28 PRO CB C 28 32.410 32.904 -0.494 2
1 264 . 1 1 A 29 29 ALA H H 29 8.513 8.363 0.150 2
1 265 . 1 1 A 29 29 ALA HA H 29 3.822 4.664 -0.842 2
1 269 . 1 1 A 29 29 ALA C C 29 178.074 177.937 0.137 2
1 270 . 1 1 A 29 29 ALA CA C 29 52.670 52.332 0.338 2
1 271 . 1 1 A 29 29 ALA CB C 29 19.721 19.602 0.119 2
1 272 . 1 1 A 29 29 ALA N N 29 120.286 123.869 -3.583 2
1 273 . 1 1 A 30 30 GLY H H 30 8.022 8.565 -0.543 2
1 274 . 1 1 A 30 30 GLY HA2 H 30 3.956 4.092 -0.136 2
1 275 . 1 1 A 30 30 GLY HA3 H 30 3.733 4.097 -0.364 2
1 276 . 1 1 A 30 30 GLY C C 30 174.944 173.761 1.183 2
1 277 . 1 1 A 30 30 GLY CA C 30 46.739 45.165 1.574 2
1 278 . 1 1 A 30 30 GLY N N 30 110.746 111.255 -0.509 2
1 279 . 1 1 A 31 31 VAL H H 31 7.736 7.458 0.278 2
1 280 . 1 1 A 31 31 VAL HA H 31 4.753 4.862 -0.109 2
1 288 . 1 1 A 31 31 VAL C C 31 173.642 174.078 -0.436 2
1 289 . 1 1 A 31 31 VAL CA C 31 58.809 59.126 -0.317 2
1 290 . 1 1 A 31 31 VAL CB C 31 34.719 35.519 -0.800 2
1 293 . 1 1 A 31 31 VAL N N 31 112.109 115.394 -3.285 2
1 294 . 1 1 A 32 32 GLU H H 32 8.264 8.840 -0.576 2
1 295 . 1 1 A 32 32 GLU HA H 32 5.090 5.058 0.032 2
1 300 . 1 1 A 32 32 GLU C C 32 176.725 175.844 0.881 2
1 301 . 1 1 A 32 32 GLU CA C 32 55.713 55.340 0.373 2
1 302 . 1 1 A 32 32 GLU CB C 32 31.615 31.719 -0.104 2
1 304 . 1 1 A 32 32 GLU N N 32 121.304 122.727 -1.423 2
1 305 . 1 1 A 33 33 VAL H H 33 9.136 8.824 0.312 2
1 306 . 1 1 A 33 33 VAL HA H 33 5.001 4.901 0.100 2
1 314 . 1 1 A 33 33 VAL C C 33 174.395 173.631 0.764 2
1 315 . 1 1 A 33 33 VAL CA C 33 58.765 58.841 -0.076 2
1 316 . 1 1 A 33 33 VAL CB C 33 34.596 35.807 -1.211 2
1 319 . 1 1 A 33 33 VAL N N 33 117.728 119.211 -1.483 2
1 320 . 1 1 A 34 34 GLN H H 34 8.551 8.357 0.194 2
1 321 . 1 1 A 34 34 GLN HA H 34 5.052 4.997 0.055 2
1 328 . 1 1 A 34 34 GLN C C 34 175.752 174.638 1.114 2
1 329 . 1 1 A 34 34 GLN CA C 34 54.328 54.362 -0.034 2
1 330 . 1 1 A 34 34 GLN CB C 34 30.760 31.430 -0.670 2
1 332 . 1 1 A 34 34 GLN N N 34 119.032 121.419 -2.387 2
1 334 . 1 1 A 35 35 VAL H H 35 9.180 8.870 0.310 2
1 335 . 1 1 A 35 35 VAL HA H 35 4.144 4.104 0.040 2
1 343 . 1 1 A 35 35 VAL C C 35 175.602 175.345 0.257 2
1 344 . 1 1 A 35 35 VAL CA C 35 63.035 62.910 0.125 2
1 345 . 1 1 A 35 35 VAL CB C 35 32.056 31.161 0.895 2
1 348 . 1 1 A 35 35 VAL N N 35 124.135 126.364 -2.229 2
1 349 . 1 1 A 36 36 LEU H H 36 9.175 8.870 0.305 2
1 350 . 1 1 A 36 36 LEU HA H 36 4.429 4.152 0.277 2
1 360 . 1 1 A 36 36 LEU C C 36 177.299 176.648 0.651 2
1 361 . 1 1 A 36 36 LEU CA C 36 55.785 57.098 -1.313 2
1 362 . 1 1 A 36 36 LEU CB C 36 42.924 42.438 0.486 2
1 366 . 1 1 A 36 36 LEU N N 36 129.320 129.519 -0.199 2
1 367 . 1 1 A 37 37 GLU H H 37 7.569 7.767 -0.198 2
1 368 . 1 1 A 37 37 GLU HA H 37 4.414 4.817 -0.403 2
1 373 . 1 1 A 37 37 GLU C C 37 174.132 174.348 -0.216 2
1 374 . 1 1 A 37 37 GLU CA C 37 56.244 54.971 1.273 2
1 375 . 1 1 A 37 37 GLU CB C 37 33.236 33.276 -0.041 2
1 377 . 1 1 A 37 37 GLU N N 37 116.925 115.413 1.512 2
1 378 . 1 1 A 38 38 LYS H H 38 8.693 8.576 0.117 2
1 379 . 1 1 A 38 38 LYS HA H 38 4.181 5.197 -1.016 2
1 388 . 1 1 A 38 38 LYS C C 38 175.877 175.280 0.597 2
1 389 . 1 1 A 38 38 LYS CA C 38 55.579 54.701 0.878 2
1 390 . 1 1 A 38 38 LYS CB C 38 34.965 35.574 -0.609 2
1 394 . 1 1 A 38 38 LYS N N 38 124.828 122.962 1.866 2
1 395 . 1 1 A 39 39 GLN H H 39 7.682 8.976 -1.294 2
1 396 . 1 1 A 39 39 GLN HA H 39 4.896 4.761 0.135 2
1 403 . 1 1 A 39 39 GLN C C 39 177.964 176.821 1.143 2
1 404 . 1 1 A 39 39 GLN CA C 39 55.324 54.923 0.401 2
1 405 . 1 1 A 39 39 GLN CB C 39 31.670 30.775 0.895 2
1 407 . 1 1 A 39 39 GLN N N 39 119.391 122.616 -3.225 2
1 409 . 1 1 A 40 40 GLU HA H 40 4.308 4.096 0.212 2
1 414 . 1 1 A 40 40 GLU C C 40 176.777 178.288 -1.511 2
1 415 . 1 1 A 40 40 GLU CA C 40 58.541 59.771 -1.230 2
1 416 . 1 1 A 40 40 GLU CB C 40 29.363 29.379 -0.016 2
1 418 . 1 1 A 41 41 SER H H 41 7.986 8.120 -0.134 2
1 419 . 1 1 A 41 41 SER HA H 41 4.413 4.326 0.087 2
1 422 . 1 1 A 41 41 SER C C 41 175.434 174.918 0.516 2
1 423 . 1 1 A 41 41 SER CA C 41 58.707 61.232 -2.525 2
1 424 . 1 1 A 41 41 SER CB C 41 63.871 63.563 0.308 2
1 425 . 1 1 A 41 41 SER N N 41 113.216 116.046 -2.830 2
1 426 . 1 1 A 42 42 GLY H H 42 8.135 7.929 0.206 2
1 427 . 1 1 A 42 42 GLY HA2 H 42 4.347 4.002 0.345 2
1 428 . 1 1 A 42 42 GLY HA3 H 42 3.625 4.081 -0.456 2
1 429 . 1 1 A 42 42 GLY C C 42 173.338 174.605 -1.267 2
1 430 . 1 1 A 42 42 GLY CA C 42 44.998 45.437 -0.439 2
1 431 . 1 1 A 42 42 GLY N N 42 108.513 107.799 0.714 2
1 432 . 1 1 A 43 43 TRP H H 43 7.820 7.922 -0.102 2
1 433 . 1 1 A 43 43 TRP HA H 43 4.942 4.581 0.361 2
1 442 . 1 1 A 43 43 TRP C C 43 174.648 176.513 -1.865 2
1 443 . 1 1 A 43 43 TRP CA C 43 57.245 57.981 -0.736 2
1 444 . 1 1 A 43 43 TRP CB C 43 30.102 30.018 0.084 2
1 450 . 1 1 A 43 43 TRP N N 43 122.320 120.601 1.719 2
1 452 . 1 1 A 44 44 TRP H H 44 9.769 9.010 0.759 2
1 453 . 1 1 A 44 44 TRP HA H 44 5.875 5.505 0.370 2
1 462 . 1 1 A 44 44 TRP C C 44 173.703 175.157 -1.454 2
1 463 . 1 1 A 44 44 TRP CA C 44 53.298 55.041 -1.743 2
1 464 . 1 1 A 44 44 TRP CB C 44 32.961 32.076 0.885 2
1 470 . 1 1 A 44 44 TRP N N 44 125.138 123.867 1.271 2
1 472 . 1 1 A 45 45 TYR H H 45 9.168 8.958 0.210 2
1 473 . 1 1 A 45 45 TYR HA H 45 4.173 4.216 -0.043 2
1 480 . 1 1 A 45 45 TYR C C 45 175.086 174.731 0.355 2
1 481 . 1 1 A 45 45 TYR CA C 45 58.044 56.606 1.438 2
1 482 . 1 1 A 45 45 TYR CB C 45 38.792 38.013 0.779 2
1 487 . 1 1 A 45 45 TYR N N 45 127.429 125.682 1.747 2
1 488 . 1 1 A 46 46 VAL H H 46 8.689 8.724 -0.035 2
1 489 . 1 1 A 46 46 VAL HA H 46 5.142 5.139 0.003 2
1 497 . 1 1 A 46 46 VAL C C 46 172.384 173.661 -1.276 2
1 498 . 1 1 A 46 46 VAL CA C 46 59.010 59.541 -0.531 2
1 499 . 1 1 A 46 46 VAL CB C 46 35.502 33.931 1.571 2
1 502 . 1 1 A 46 46 VAL N N 46 124.245 122.205 2.040 2
1 503 . 1 1 A 47 47 ARG H H 47 9.049 8.340 0.709 2
1 504 . 1 1 A 47 47 ARG HA H 47 5.163 5.133 0.030 2
1 512 . 1 1 A 47 47 ARG C C 47 175.057 173.965 1.092 2
1 513 . 1 1 A 47 47 ARG CA C 47 54.158 54.300 -0.142 2
1 514 . 1 1 A 47 47 ARG CB C 47 34.146 33.521 0.625 2
1 517 . 1 1 A 47 47 ARG N N 47 120.700 121.490 -0.790 2
1 519 . 1 1 A 48 48 PHE H H 48 9.042 9.056 -0.014 2
1 520 . 1 1 A 48 48 PHE HA H 48 5.296 4.744 0.552 2
1 528 . 1 1 A 48 48 PHE C C 48 175.133 175.608 -0.475 2
1 529 . 1 1 A 48 48 PHE CA C 48 54.446 57.062 -2.616 2
1 530 . 1 1 A 48 48 PHE CB C 48 40.369 41.074 -0.705 2
1 536 . 1 1 A 48 48 PHE N N 48 128.029 127.871 0.159 2
1 537 . 1 1 A 49 49 GLY H H 49 9.103 8.813 0.290 2
1 538 . 1 1 A 49 49 GLY HA2 H 49 3.644 3.587 0.057 2
1 539 . 1 1 A 49 49 GLY HA3 H 49 3.503 3.704 -0.201 2
1 540 . 1 1 A 49 49 GLY C C 49 174.287 174.627 -0.340 2
1 541 . 1 1 A 49 49 GLY CA C 49 47.008 47.121 -0.113 2
1 542 . 1 1 A 49 49 GLY N N 49 118.890 115.968 2.922 2
1 543 . 1 1 A 50 50 GLU H H 50 8.920 8.574 0.346 2
1 544 . 1 1 A 50 50 GLU HA H 50 4.333 4.416 -0.083 2
1 549 . 1 1 A 50 50 GLU C C 50 176.000 175.308 0.692 2
1 550 . 1 1 A 50 50 GLU CA C 50 56.080 55.869 0.211 2
1 551 . 1 1 A 50 50 GLU CB C 50 30.022 30.246 -0.224 2
1 553 . 1 1 A 50 50 GLU N N 50 125.280 125.854 -0.574 2
1 554 . 1 1 A 51 51 LEU H H 51 7.792 7.412 0.380 2
1 555 . 1 1 A 51 51 LEU HA H 51 4.635 4.865 -0.230 2
1 565 . 1 1 A 51 51 LEU C C 51 175.050 175.275 -0.225 2
1 566 . 1 1 A 51 51 LEU CA C 51 54.074 53.484 0.590 2
1 567 . 1 1 A 51 51 LEU CB C 51 44.171 46.840 -2.669 2
1 571 . 1 1 A 51 51 LEU N N 51 121.706 121.121 0.585 2
1 572 . 1 1 A 52 52 GLU H H 52 8.165 8.693 -0.528 2
1 573 . 1 1 A 52 52 GLU HA H 52 5.476 5.131 0.345 2
1 578 . 1 1 A 52 52 GLU C C 52 176.062 175.192 0.870 2
1 579 . 1 1 A 52 52 GLU CA C 52 53.810 54.744 -0.934 2
1 580 . 1 1 A 52 52 GLU CB C 52 33.486 32.605 0.881 2
1 582 . 1 1 A 52 52 GLU N N 52 116.700 119.682 -2.982 2
1 583 . 1 1 A 53 53 GLY H H 53 8.091 8.511 -0.421 2
1 584 . 1 1 A 53 53 GLY HA2 H 53 3.882 4.482 -0.600 2
1 585 . 1 1 A 53 53 GLY HA3 H 53 3.730 4.552 -0.822 2
1 586 . 1 1 A 53 53 GLY C C 53 170.279 171.737 -1.458 2
1 587 . 1 1 A 53 53 GLY CA C 53 45.344 44.366 0.978 2
1 588 . 1 1 A 53 53 GLY N N 53 106.613 111.041 -4.428 2
1 589 . 1 1 A 54 54 TRP H H 54 8.595 8.986 -0.391 2
1 590 . 1 1 A 54 54 TRP HA H 54 5.348 5.509 -0.161 2
1 599 . 1 1 A 54 54 TRP C C 54 175.873 176.300 -0.427 2
1 600 . 1 1 A 54 54 TRP CA C 54 57.602 57.178 0.424 2
1 601 . 1 1 A 54 54 TRP CB C 54 31.176 30.146 1.030 2
1 607 . 1 1 A 54 54 TRP N N 54 120.550 121.109 -0.559 2
1 609 . 1 1 A 55 55 ALA H H 55 9.993 9.250 0.743 2
1 610 . 1 1 A 55 55 ALA HA H 55 4.978 4.416 0.562 2
1 614 . 1 1 A 55 55 ALA C C 55 173.642 174.695 -1.053 2
1 615 . 1 1 A 55 55 ALA CA C 55 49.335 49.123 0.212 2
1 616 . 1 1 A 55 55 ALA CB C 55 22.101 21.174 0.927 2
1 617 . 1 1 A 55 55 ALA N N 55 122.386 127.927 -5.541 2
1 618 . 1 1 A 56 56 PRO HA H 56 3.586 3.964 -0.378 2
1 625 . 1 1 A 56 56 PRO C C 56 178.765 177.056 1.709 2
1 626 . 1 1 A 56 56 PRO CA C 56 61.218 62.176 -0.958 2
1 627 . 1 1 A 56 56 PRO CB C 56 30.430 31.910 -1.480 2
1 630 . 1 1 A 57 57 SER H H 57 8.187 7.718 0.469 2
1 631 . 1 1 A 57 57 SER HA H 57 2.721 3.351 -0.630 2
1 634 . 1 1 A 57 57 SER C C 57 175.094 175.880 -0.786 2
1 635 . 1 1 A 57 57 SER CA C 57 60.865 59.960 0.905 2
1 636 . 1 1 A 57 57 SER CB C 57 60.645 61.625 -0.980 2
1 637 . 1 1 A 57 57 SER N N 57 120.088 119.490 0.598 2
1 638 . 1 1 A 58 58 HIS H H 58 7.482 7.265 0.217 2
1 639 . 1 1 A 58 58 HIS HA H 58 4.433 4.138 0.295 2
1 644 . 1 1 A 58 58 HIS C C 58 175.763 177.353 -1.590 2
1 645 . 1 1 A 58 58 HIS CA C 58 56.938 59.179 -2.241 2
1 646 . 1 1 A 58 58 HIS CB C 58 28.597 29.850 -1.253 2
1 649 . 1 1 A 58 58 HIS N N 58 115.490 119.048 -3.558 2
1 650 . 1 1 A 59 59 TYR H H 59 7.251 7.744 -0.493 2
1 651 . 1 1 A 59 59 TYR HA H 59 4.366 4.315 0.051 2
1 658 . 1 1 A 59 59 TYR C C 59 173.874 176.114 -2.240 2
1 659 . 1 1 A 59 59 TYR CA C 59 58.862 60.263 -1.401 2
1 660 . 1 1 A 59 59 TYR CB C 59 36.586 39.325 -2.739 2
1 665 . 1 1 A 59 59 TYR N N 59 120.460 116.710 3.750 2
1 666 . 1 1 A 60 60 LEU H H 60 7.574 7.106 0.468 2
1 667 . 1 1 A 60 60 LEU HA H 60 4.964 4.338 0.626 2
1 677 . 1 1 A 60 60 LEU C C 60 175.663 176.386 -0.723 2
1 678 . 1 1 A 60 60 LEU CA C 60 53.709 54.778 -1.069 2
1 679 . 1 1 A 60 60 LEU CB C 60 42.879 42.660 0.219 2
1 683 . 1 1 A 60 60 LEU N N 60 121.690 119.849 1.841 2
1 684 . 1 1 A 61 61 VAL H H 61 9.082 8.801 0.281 2
1 685 . 1 1 A 61 61 VAL HA H 61 4.309 4.657 -0.348 2
1 693 . 1 1 A 61 61 VAL C C 61 174.803 175.331 -0.528 2
1 694 . 1 1 A 61 61 VAL CA C 61 61.381 61.491 -0.110 2
1 695 . 1 1 A 61 61 VAL CB C 61 33.607 32.820 0.787 2
1 698 . 1 1 A 61 61 VAL N N 61 119.010 123.617 -4.607 2
1 699 . 1 1 A 62 62 LEU H H 62 8.307 8.810 -0.503 2
1 700 . 1 1 A 62 62 LEU HA H 62 4.288 4.970 -0.682 2
1 710 . 1 1 A 62 62 LEU C C 62 176.976 176.332 0.644 2
1 711 . 1 1 A 62 62 LEU CA C 62 54.807 53.810 0.997 2
1 712 . 1 1 A 62 62 LEU CB C 62 42.932 43.006 -0.074 2
1 716 . 1 1 A 62 62 LEU N N 62 127.895 127.464 0.431 2
1 717 . 1 1 A 63 63 ASP H H 63 8.475 8.845 -0.370 2
1 718 . 1 1 A 63 63 ASP HA H 63 4.595 4.657 -0.062 2
1 721 . 1 1 A 63 63 ASP C C 63 176.269 175.657 0.612 2
1 722 . 1 1 A 63 63 ASP CA C 63 53.903 54.252 -0.349 2
1 723 . 1 1 A 63 63 ASP CB C 63 41.618 40.325 1.293 2
1 724 . 1 1 A 63 63 ASP N N 63 122.904 122.485 0.419 2
1 725 . 1 1 A 64 64 GLU H H 64 8.528 8.158 0.370 2
1 726 . 1 1 A 64 64 GLU HA H 64 4.220 4.567 -0.347 2
1 731 . 1 1 A 64 64 GLU C C 64 176.504 176.274 0.230 2
1 732 . 1 1 A 64 64 GLU CA C 64 57.043 56.257 0.786 2
1 733 . 1 1 A 64 64 GLU CB C 64 30.214 30.802 -0.588 2
1 735 . 1 1 A 64 64 GLU N N 64 122.471 121.001 1.470 2
1 736 . 1 1 A 65 65 ASN H H 65 8.523 8.414 0.109 2
1 737 . 1 1 A 65 65 ASN HA H 65 4.661 4.721 -0.060 2
1 742 . 1 1 A 65 65 ASN C C 65 175.223 174.695 0.528 2
1 743 . 1 1 A 65 65 ASN CA C 65 53.674 53.789 -0.115 2
1 744 . 1 1 A 65 65 ASN CB C 65 39.088 38.923 0.165 2
1 745 . 1 1 A 65 65 ASN N N 65 118.895 120.298 -1.403 2
1 747 . 1 1 A 66 66 GLU H H 66 8.222 8.234 -0.012 2
1 748 . 1 1 A 66 66 GLU HA H 66 4.293 4.724 -0.431 2
1 753 . 1 1 A 66 66 GLU C C 66 176.054 175.335 0.719 2
1 754 . 1 1 A 66 66 GLU CA C 66 56.432 55.381 1.051 2
1 755 . 1 1 A 66 66 GLU CB C 66 30.476 31.887 -1.411 2
1 757 . 1 1 A 66 66 GLU N N 66 120.919 120.470 0.449 2
1 758 . 1 1 A 67 67 GLN H H 67 8.293 8.494 -0.201 2
1 759 . 1 1 A 67 67 GLN HA H 67 4.582 4.604 -0.022 2
1 766 . 1 1 A 67 67 GLN C C 67 173.836 174.203 -0.367 2
1 767 . 1 1 A 67 67 GLN CA C 67 53.593 53.910 -0.317 2
1 768 . 1 1 A 67 67 GLN CB C 67 28.949 29.474 -0.525 2
1 770 . 1 1 A 67 67 GLN N N 67 122.295 123.068 -0.773 2
1 772 . 1 1 A 68 68 PRO HA H 68 4.401 4.625 -0.224 2
1 779 . 1 1 A 68 68 PRO CA C 68 62.882 62.609 0.273 2
1 780 . 1 1 A 68 68 PRO CB C 68 32.175 31.675 0.500 2
1 783 . 1 1 A 69 69 ASP H H 69 8.502 8.429 0.073 2
1 784 . 1 1 A 69 69 ASP HA H 69 4.836 5.001 -0.165 2
1 787 . 1 1 A 69 69 ASP CA C 69 51.945 51.765 0.180 2
1 788 . 1 1 A 69 69 ASP CB C 69 41.305 41.913 -0.608 2
1 789 . 1 1 A 69 69 ASP N N 69 121.937 121.554 0.383 2
1 790 . 1 1 A 70 70 PRO HA H 70 4.437 4.606 -0.169 2
1 797 . 1 1 A 70 70 PRO C C 70 177.484 176.324 1.160 2
1 798 . 1 1 A 70 70 PRO CA C 70 63.777 63.127 0.650 2
1 799 . 1 1 A 70 70 PRO CB C 70 32.027 32.007 0.020 2
1 802 . 1 1 A 71 71 SER H H 71 8.506 8.355 0.151 2
1 803 . 1 1 A 71 71 SER HA H 71 4.364 4.649 -0.285 2
1 806 . 1 1 A 71 71 SER C C 71 175.439 174.151 1.288 2
1 807 . 1 1 A 71 71 SER CA C 71 59.261 58.324 0.937 2
1 808 . 1 1 A 71 71 SER CB C 71 63.771 64.928 -1.157 2
1 809 . 1 1 A 71 71 SER N N 71 115.901 115.888 0.013 2
1 810 . 1 1 A 72 72 GLY H H 72 8.258 8.351 -0.093 2
1 811 . 1 1 A 72 72 GLY HA2 H 72 3.958 4.033 -0.075 2
1 812 . 1 1 A 72 72 GLY HA3 H 72 3.958 4.035 -0.077 2
1 813 . 1 1 A 72 72 GLY C C 72 174.314 173.666 0.648 2
1 814 . 1 1 A 72 72 GLY CA C 72 45.469 45.739 -0.270 2
1 815 . 1 1 A 72 72 GLY N N 72 110.595 110.503 0.092 2
1 816 . 1 1 A 73 73 LYS H H 73 8.052 8.219 -0.167 2
1 817 . 1 1 A 73 73 LYS HA H 73 4.305 4.591 -0.286 2
1 826 . 1 1 A 73 73 LYS C C 73 176.792 175.571 1.221 2
1 827 . 1 1 A 73 73 LYS CA C 73 56.420 55.735 0.685 2
1 828 . 1 1 A 73 73 LYS CB C 73 33.082 33.636 -0.554 2
1 832 . 1 1 A 73 73 LYS N N 73 120.614 121.487 -0.873 2
1 833 . 1 1 A 74 74 GLU H H 74 8.559 8.673 -0.114 2
1 834 . 1 1 A 74 74 GLU HA H 74 4.305 4.722 -0.417 2
1 839 . 1 1 A 74 74 GLU C C 74 176.648 175.728 0.920 2
1 840 . 1 1 A 74 74 GLU CA C 74 56.446 55.785 0.661 2
1 841 . 1 1 A 74 74 GLU CB C 74 30.215 31.621 -1.406 2
1 843 . 1 1 A 74 74 GLU N N 74 122.000 123.362 -1.362 2
1 844 . 1 1 A 75 75 SER H H 75 8.364 8.525 -0.161 2
1 845 . 1 1 A 75 75 SER HA H 75 4.450 4.700 -0.250 2
1 846 . 1 1 A 75 75 SER C C 75 174.540 174.369 0.171 2
1 847 . 1 1 A 75 75 SER CA C 75 58.538 58.655 -0.117 2
1 848 . 1 1 A 75 75 SER CB C 75 63.977 64.489 -0.512 2
1 849 . 1 1 A 75 75 SER N N 75 116.992 118.272 -1.279 2
1 850 . 1 1 A 76 76 GLY H H 76 8.243 8.302 -0.059 2
1 851 . 1 1 A 76 76 GLY HA2 H 76 4.157 4.153 0.004 2
1 852 . 1 1 A 76 76 GLY HA3 H 76 4.058 4.154 -0.096 2
1 853 . 1 1 A 76 76 GLY CA C 76 44.680 45.131 -0.451 2
1 854 . 1 1 A 76 76 GLY N N 76 110.704 110.377 0.327 2
1 855 . 1 1 A 77 77 PRO HA H 77 4.463 4.554 -0.091 2
1 862 . 1 1 A 77 77 PRO C C 77 177.454 176.355 1.099 2
1 863 . 1 1 A 77 77 PRO CA C 77 63.202 63.124 0.078 2
1 864 . 1 1 A 77 77 PRO CB C 77 32.276 31.935 0.341 2
1 867 . 1 1 A 78 78 SER H H 78 8.535 8.498 0.037 2
1 870 . 1 1 A 78 78 SER C C 78 174.735 173.818 0.917 2
1 871 . 1 1 A 78 78 SER CA C 78 58.373 58.240 0.133 2
1 872 . 1 1 A 78 78 SER CB C 78 63.977 64.247 -0.270 2
stop_
save_