data_10217_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10217
_Entry.PDB_ID 2EOG
_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 7 7 GLY HA2 H 7 3.954 3.919 0.035 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.954 3.922 0.032 1
1 3 . 1 1 1 A 7 7 GLY C C 7 173.934 173.722 0.212 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.271 46.499 -1.228 1
1 5 . 1 1 1 A 8 8 VAL H H 8 7.897 7.885 0.012 1
1 6 . 1 1 1 A 8 8 VAL HA H 8 4.047 5.033 -0.986 1
1 14 . 1 1 1 A 8 8 VAL C C 8 175.891 174.150 1.741 1
1 15 . 1 1 1 A 8 8 VAL CA C 8 62.520 58.909 3.611 1
1 16 . 1 1 1 A 8 8 VAL CB C 8 32.445 36.181 -3.736 1
1 19 . 1 1 1 A 8 8 VAL N N 8 119.114 119.402 -0.288 1
1 20 . 1 1 1 A 9 9 LYS H H 9 8.299 8.375 -0.076 1
1 21 . 1 1 1 A 9 9 LYS HA H 9 4.522 4.701 -0.179 1
1 28 . 1 1 1 A 9 9 LYS C C 9 173.981 176.107 -2.126 1
1 29 . 1 1 1 A 9 9 LYS CA C 9 53.793 53.135 0.658 1
1 30 . 1 1 1 A 9 9 LYS CB C 9 33.011 34.859 -1.848 1
1 34 . 1 1 1 A 9 9 LYS N N 9 125.248 120.982 4.266 1
1 35 . 1 1 1 A 10 10 PRO HA H 10 4.290 4.314 -0.024 1
1 42 . 1 1 1 A 10 10 PRO C C 10 176.364 175.535 0.829 1
1 43 . 1 1 1 A 10 10 PRO CA C 10 63.426 63.828 -0.402 1
1 44 . 1 1 1 A 10 10 PRO CB C 10 32.209 31.312 0.897 1
1 47 . 1 1 1 A 11 11 TYR H H 11 7.981 7.370 0.611 1
1 48 . 1 1 1 A 11 11 TYR HA H 11 4.659 5.350 -0.691 1
1 55 . 1 1 1 A 11 11 TYR C C 11 175.225 175.647 -0.422 1
1 56 . 1 1 1 A 11 11 TYR CA C 11 57.195 56.281 0.914 1
1 57 . 1 1 1 A 11 11 TYR CB C 11 38.185 42.297 -4.112 1
1 62 . 1 1 1 A 11 11 TYR N N 11 117.941 118.176 -0.235 1
1 63 . 1 1 1 A 12 12 GLY H H 12 8.475 8.891 -0.416 1
1 64 . 1 1 1 A 12 12 GLY HA2 H 12 3.630 4.262 -0.632 1
1 65 . 1 1 1 A 12 12 GLY HA3 H 12 4.709 4.305 0.404 1
1 66 . 1 1 1 A 12 12 GLY C C 12 172.847 173.501 -0.654 1
1 67 . 1 1 1 A 12 12 GLY CA C 12 44.512 45.297 -0.785 1
1 68 . 1 1 1 A 12 12 GLY N N 12 111.547 110.388 1.159 1
1 69 . 1 1 1 A 13 13 CYS H H 13 9.098 8.988 0.110 1
1 70 . 1 1 1 A 13 13 CYS HA H 13 4.701 4.445 0.256 1
1 73 . 1 1 1 A 13 13 CYS C C 13 177.769 174.963 2.806 1
1 74 . 1 1 1 A 13 13 CYS CA C 13 59.277 59.789 -0.512 1
1 75 . 1 1 1 A 13 13 CYS CB C 13 30.109 28.905 1.204 1
1 76 . 1 1 1 A 13 13 CYS N N 13 124.934 125.296 -0.362 1
1 77 . 1 1 1 A 14 14 SER H H 14 9.169 8.993 0.176 1
1 78 . 1 1 1 A 14 14 SER HA H 14 4.273 4.379 -0.106 1
1 81 . 1 1 1 A 14 14 SER C C 14 174.567 176.455 -1.888 1
1 82 . 1 1 1 A 14 14 SER CA C 14 60.801 61.075 -0.274 1
1 83 . 1 1 1 A 14 14 SER CB C 14 63.065 63.782 -0.717 1
1 84 . 1 1 1 A 14 14 SER N N 14 127.617 120.996 6.621 1
1 85 . 1 1 1 A 15 15 GLU H H 15 9.031 8.160 0.871 1
1 86 . 1 1 1 A 15 15 GLU HA H 15 4.274 3.901 0.373 1
1 91 . 1 1 1 A 15 15 GLU C C 15 177.149 178.315 -1.166 1
1 92 . 1 1 1 A 15 15 GLU CA C 15 57.715 59.486 -1.771 1
1 93 . 1 1 1 A 15 15 GLU CB C 15 29.512 28.856 0.656 1
1 95 . 1 1 1 A 15 15 GLU N N 15 123.683 120.916 2.767 1
1 96 . 1 1 1 A 16 16 CYS H H 16 8.253 7.921 0.332 1
1 97 . 1 1 1 A 16 16 CYS HA H 16 5.178 4.627 0.551 1
1 100 . 1 1 1 A 16 16 CYS C C 16 176.203 175.410 0.793 1
1 101 . 1 1 1 A 16 16 CYS CA C 16 58.466 59.890 -1.424 1
1 102 . 1 1 1 A 16 16 CYS CB C 16 32.439 29.553 2.886 1
1 103 . 1 1 1 A 16 16 CYS N N 16 116.046 115.047 0.999 1
1 104 . 1 1 1 A 17 17 GLY H H 17 8.087 8.293 -0.206 1
1 105 . 1 1 1 A 17 17 GLY HA2 H 17 3.882 3.994 -0.112 1
1 106 . 1 1 1 A 17 17 GLY HA3 H 17 4.225 4.005 0.220 1
1 107 . 1 1 1 A 17 17 GLY C C 17 174.332 174.028 0.304 1
1 108 . 1 1 1 A 17 17 GLY CA C 17 46.224 45.781 0.443 1
1 109 . 1 1 1 A 17 17 GLY N N 17 112.453 110.396 2.057 1
1 110 . 1 1 1 A 18 18 LYS H H 18 7.998 7.754 0.244 1
1 111 . 1 1 1 A 18 18 LYS HA H 18 4.011 4.624 -0.613 1
1 120 . 1 1 1 A 18 18 LYS C C 18 173.574 174.981 -1.407 1
1 121 . 1 1 1 A 18 18 LYS CA C 18 58.142 54.302 3.840 1
1 122 . 1 1 1 A 18 18 LYS CB C 18 33.979 34.546 -0.567 1
1 126 . 1 1 1 A 18 18 LYS N N 18 123.407 118.973 4.434 1
1 127 . 1 1 1 A 19 19 ALA H H 19 7.768 8.137 -0.369 1
1 128 . 1 1 1 A 19 19 ALA HA H 19 5.057 5.231 -0.174 1
1 132 . 1 1 1 A 19 19 ALA C C 19 176.149 175.360 0.789 1
1 133 . 1 1 1 A 19 19 ALA CA C 19 50.649 50.061 0.588 1
1 134 . 1 1 1 A 19 19 ALA CB C 19 22.135 23.879 -1.744 1
1 135 . 1 1 1 A 19 19 ALA N N 19 122.869 120.803 2.066 1
1 136 . 1 1 1 A 20 20 PHE H H 20 8.400 8.351 0.049 1
1 137 . 1 1 1 A 20 20 PHE HA H 20 4.787 4.944 -0.157 1
1 145 . 1 1 1 A 20 20 PHE C C 20 175.996 175.850 0.146 1
1 146 . 1 1 1 A 20 20 PHE CA C 20 57.402 56.362 1.040 1
1 147 . 1 1 1 A 20 20 PHE CB C 20 44.177 41.226 2.951 1
1 153 . 1 1 1 A 20 20 PHE N N 20 116.260 116.323 -0.063 1
1 154 . 1 1 1 A 21 21 ARG H H 21 9.316 8.880 0.436 1
1 155 . 1 1 1 A 21 21 ARG HA H 21 4.478 4.065 0.413 1
1 162 . 1 1 1 A 21 21 ARG C C 21 175.389 176.300 -0.911 1
1 163 . 1 1 1 A 21 21 ARG CA C 21 57.837 59.461 -1.624 1
1 164 . 1 1 1 A 21 21 ARG CB C 21 31.184 30.338 0.846 1
1 167 . 1 1 1 A 21 21 ARG N N 21 119.000 127.181 -8.181 1
1 168 . 1 1 1 A 22 22 SER H H 22 7.474 8.015 -0.541 1
1 169 . 1 1 1 A 22 22 SER HA H 22 4.696 4.976 -0.280 1
1 172 . 1 1 1 A 22 22 SER C C 22 173.464 174.281 -0.817 1
1 173 . 1 1 1 A 22 22 SER CA C 22 55.901 56.228 -0.327 1
1 174 . 1 1 1 A 22 22 SER CB C 22 66.117 65.528 0.589 1
1 175 . 1 1 1 A 22 22 SER N N 22 109.845 114.288 -4.443 1
1 176 . 1 1 1 A 23 23 LYS H H 23 8.388 8.797 -0.409 1
1 177 . 1 1 1 A 23 23 LYS HA H 23 3.324 3.068 0.256 1
1 186 . 1 1 1 A 23 23 LYS C C 23 178.109 177.730 0.379 1
1 187 . 1 1 1 A 23 23 LYS CA C 23 58.994 59.718 -0.724 1
1 188 . 1 1 1 A 23 23 LYS CB C 23 31.895 31.926 -0.031 1
1 192 . 1 1 1 A 23 23 LYS N N 23 125.361 126.881 -1.520 1
1 193 . 1 1 1 A 24 24 SER H H 24 8.217 8.005 0.212 1
1 194 . 1 1 1 A 24 24 SER HA H 24 3.980 4.010 -0.030 1
1 197 . 1 1 1 A 24 24 SER C C 24 176.910 176.478 0.432 1
1 198 . 1 1 1 A 24 24 SER CA C 24 61.457 61.635 -0.178 1
1 199 . 1 1 1 A 24 24 SER CB C 24 61.986 63.050 -1.064 1
1 200 . 1 1 1 A 24 24 SER N N 24 113.056 114.102 -1.046 1
1 201 . 1 1 1 A 25 25 TYR H H 25 7.270 8.231 -0.961 1
1 202 . 1 1 1 A 25 25 TYR HA H 25 4.258 4.288 -0.030 1
1 209 . 1 1 1 A 25 25 TYR C C 25 178.363 177.651 0.712 1
1 210 . 1 1 1 A 25 25 TYR CA C 25 59.989 60.778 -0.789 1
1 211 . 1 1 1 A 25 25 TYR CB C 25 37.656 38.433 -0.777 1
1 216 . 1 1 1 A 25 25 TYR N N 25 119.562 119.972 -0.410 1
1 217 . 1 1 1 A 26 26 LEU H H 26 7.354 7.602 -0.248 1
1 218 . 1 1 1 A 26 26 LEU HA H 26 3.466 2.196 1.270 1
1 228 . 1 1 1 A 26 26 LEU C C 26 177.513 178.183 -0.670 1
1 229 . 1 1 1 A 26 26 LEU CA C 26 58.142 57.673 0.469 1
1 230 . 1 1 1 A 26 26 LEU CB C 26 40.723 41.448 -0.725 1
1 234 . 1 1 1 A 26 26 LEU N N 26 122.537 120.652 1.885 1
1 235 . 1 1 1 A 27 27 ILE H H 27 8.244 7.619 0.625 1
1 236 . 1 1 1 A 27 27 ILE HA H 27 3.594 3.524 0.070 1
1 246 . 1 1 1 A 27 27 ILE C C 27 179.045 177.673 1.372 1
1 247 . 1 1 1 A 27 27 ILE CA C 27 65.264 65.179 0.085 1
1 248 . 1 1 1 A 27 27 ILE CB C 27 37.650 37.726 -0.076 1
1 252 . 1 1 1 A 27 27 ILE N N 27 120.012 118.912 1.100 1
1 253 . 1 1 1 A 28 28 ILE H H 28 7.350 7.980 -0.630 1
1 254 . 1 1 1 A 28 28 ILE HA H 28 3.541 3.655 -0.114 1
1 264 . 1 1 1 A 28 28 ILE C C 28 179.008 178.498 0.510 1
1 265 . 1 1 1 A 28 28 ILE CA C 28 65.093 65.259 -0.166 1
1 266 . 1 1 1 A 28 28 ILE CB C 28 38.473 37.776 0.697 1
1 270 . 1 1 1 A 28 28 ILE N N 28 119.450 120.306 -0.856 1
1 271 . 1 1 1 A 29 29 HIS H H 29 7.774 7.837 -0.063 1
1 272 . 1 1 1 A 29 29 HIS HA H 29 4.210 4.326 -0.116 1
1 277 . 1 1 1 A 29 29 HIS C C 29 178.135 177.097 1.038 1
1 278 . 1 1 1 A 29 29 HIS CA C 29 59.320 59.349 -0.029 1
1 279 . 1 1 1 A 29 29 HIS CB C 29 28.240 29.950 -1.710 1
1 282 . 1 1 1 A 29 29 HIS N N 29 119.901 119.591 0.310 1
1 283 . 1 1 1 A 30 30 MET H H 30 8.859 8.370 0.489 1
1 284 . 1 1 1 A 30 30 MET HA H 30 4.061 3.807 0.254 1
1 292 . 1 1 1 A 30 30 MET C C 30 178.435 178.749 -0.314 1
1 293 . 1 1 1 A 30 30 MET CA C 30 58.334 58.866 -0.532 1
1 294 . 1 1 1 A 30 30 MET CB C 30 30.760 32.824 -2.064 1
1 297 . 1 1 1 A 30 30 MET N N 30 119.643 116.842 2.801 1
1 298 . 1 1 1 A 31 31 ARG H H 31 7.334 7.786 -0.452 1
1 299 . 1 1 1 A 31 31 ARG HA H 31 4.214 4.112 0.102 1
1 306 . 1 1 1 A 31 31 ARG C C 31 178.442 178.178 0.264 1
1 307 . 1 1 1 A 31 31 ARG CA C 31 58.742 59.583 -0.841 1
1 308 . 1 1 1 A 31 31 ARG CB C 31 29.921 30.142 -0.221 1
1 311 . 1 1 1 A 31 31 ARG N N 31 117.860 118.943 -1.083 1
1 312 . 1 1 1 A 32 32 THR H H 32 7.892 8.175 -0.283 1
1 313 . 1 1 1 A 32 32 THR HA H 32 4.129 3.914 0.215 1
1 318 . 1 1 1 A 32 32 THR C C 32 175.441 176.916 -1.475 1
1 319 . 1 1 1 A 32 32 THR CA C 32 63.963 65.367 -1.404 1
1 320 . 1 1 1 A 32 32 THR CB C 32 69.388 67.675 1.713 1
1 322 . 1 1 1 A 32 32 THR N N 32 109.787 112.574 -2.787 1
1 323 . 1 1 1 A 33 33 HIS H H 33 7.270 7.784 -0.514 1
1 324 . 1 1 1 A 33 33 HIS HA H 33 4.921 4.203 0.718 1
1 329 . 1 1 1 A 33 33 HIS C C 33 175.596 177.831 -2.235 1
1 330 . 1 1 1 A 33 33 HIS CA C 33 55.469 59.313 -3.844 1
1 331 . 1 1 1 A 33 33 HIS CB C 33 28.877 29.872 -0.995 1
1 334 . 1 1 1 A 33 33 HIS N N 33 118.636 119.208 -0.572 1
1 335 . 1 1 1 A 34 34 THR H H 34 7.842 8.575 -0.733 1
1 336 . 1 1 1 A 34 34 THR HA H 34 4.377 3.993 0.384 1
1 341 . 1 1 1 A 34 34 THR C C 34 175.388 175.956 -0.568 1
1 342 . 1 1 1 A 34 34 THR CA C 34 62.369 65.254 -2.885 1
1 343 . 1 1 1 A 34 34 THR CB C 34 69.883 67.960 1.923 1
1 345 . 1 1 1 A 34 34 THR N N 34 112.003 112.717 -0.714 1
1 346 . 1 1 1 A 35 35 GLY H H 35 8.325 7.815 0.510 1
1 347 . 1 1 1 A 35 35 GLY HA2 H 35 4.037 4.042 -0.005 1
1 348 . 1 1 1 A 35 35 GLY HA3 H 35 3.961 4.051 -0.090 1
1 349 . 1 1 1 A 35 35 GLY C C 35 174.027 173.748 0.279 1
1 350 . 1 1 1 A 35 35 GLY CA C 35 45.420 44.797 0.623 1
1 351 . 1 1 1 A 35 35 GLY N N 35 110.924 110.513 0.411 1
1 352 . 1 1 1 A 36 36 GLU H H 36 8.134 8.591 -0.457 1
1 353 . 1 1 1 A 36 36 GLU HA H 36 4.252 4.155 0.097 1
1 358 . 1 1 1 A 36 36 GLU C C 36 176.217 176.245 -0.028 1
1 359 . 1 1 1 A 36 36 GLU CA C 36 56.529 56.804 -0.275 1
1 360 . 1 1 1 A 36 36 GLU CB C 36 30.526 30.069 0.457 1
1 362 . 1 1 1 A 36 36 GLU N N 36 120.646 119.892 0.754 1
1 363 . 1 1 1 A 37 37 LYS H H 37 8.442 8.942 -0.500 1
1 364 . 1 1 1 A 37 37 LYS HA H 37 4.624 3.855 0.769 1
1 373 . 1 1 1 A 37 37 LYS C C 37 174.470 176.565 -2.095 1
1 374 . 1 1 1 A 37 37 LYS CA C 37 54.105 56.763 -2.658 1
1 375 . 1 1 1 A 37 37 LYS CB C 37 32.513 30.160 2.353 1
1 379 . 1 1 1 A 37 37 LYS N N 37 123.934 116.940 6.994 1
1 380 . 1 1 1 A 38 38 PRO HA H 38 4.472 4.692 -0.220 1
1 387 . 1 1 1 A 38 38 PRO C C 38 176.963 176.720 0.243 1
1 388 . 1 1 1 A 38 38 PRO CA C 38 63.242 65.298 -2.056 1
1 389 . 1 1 1 A 38 38 PRO CB C 38 32.184 31.890 0.294 1
1 392 . 1 1 1 A 39 39 SER H H 39 8.479 8.012 0.467 1
1 393 . 1 1 1 A 39 39 SER HA H 39 4.478 4.693 -0.215 1
1 396 . 1 1 1 A 39 39 SER C C 39 174.643 173.774 0.869 1
1 397 . 1 1 1 A 39 39 SER CA C 39 58.498 57.245 1.253 1
1 398 . 1 1 1 A 39 39 SER CB C 39 63.958 63.828 0.130 1
1 399 . 1 1 1 A 39 39 SER N N 39 116.485 112.763 3.722 1
1 400 . 1 1 1 A 40 40 GLY H H 40 8.234 8.350 -0.116 1
1 401 . 1 1 1 A 40 40 GLY HA2 H 40 4.173 4.053 0.120 1
1 402 . 1 1 1 A 40 40 GLY HA3 H 40 4.122 4.054 0.068 1
1 403 . 1 1 1 A 40 40 GLY C C 40 171.735 174.276 -2.541 1
1 404 . 1 1 1 A 40 40 GLY CA C 40 44.655 45.545 -0.890 1
1 405 . 1 1 1 A 40 40 GLY N N 40 110.650 114.969 -4.319 1
1 406 . 1 1 1 A 41 41 PRO HA H 41 4.474 4.400 0.074 1
1 413 . 1 1 1 A 41 41 PRO CA C 41 63.258 64.531 -1.273 1
1 414 . 1 1 1 A 41 41 PRO CB C 41 32.111 31.526 0.585 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.954 4.094 -0.140 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.954 4.095 -0.141 1
1 3 . 2 1 1 A 7 7 GLY C C 7 173.934 172.701 1.233 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.271 44.846 0.425 1
1 5 . 2 1 1 A 8 8 VAL H H 8 7.897 8.958 -1.061 1
1 6 . 2 1 1 A 8 8 VAL HA H 8 4.047 5.023 -0.976 1
1 14 . 2 1 1 A 8 8 VAL C C 8 175.891 175.491 0.400 1
1 15 . 2 1 1 A 8 8 VAL CA C 8 62.520 58.940 3.580 1
1 16 . 2 1 1 A 8 8 VAL CB C 8 32.445 35.318 -2.873 1
1 19 . 2 1 1 A 8 8 VAL N N 8 119.114 120.540 -1.426 1
1 20 . 2 1 1 A 9 9 LYS H H 9 8.299 8.548 -0.249 1
1 21 . 2 1 1 A 9 9 LYS HA H 9 4.522 4.378 0.144 1
1 28 . 2 1 1 A 9 9 LYS C C 9 173.981 176.560 -2.579 1
1 29 . 2 1 1 A 9 9 LYS CA C 9 53.793 54.969 -1.176 1
1 30 . 2 1 1 A 9 9 LYS CB C 9 33.011 31.864 1.147 1
1 34 . 2 1 1 A 9 9 LYS N N 9 125.248 122.364 2.884 1
1 35 . 2 1 1 A 10 10 PRO HA H 10 4.290 4.338 -0.048 1
1 42 . 2 1 1 A 10 10 PRO C C 10 176.364 175.487 0.877 1
1 43 . 2 1 1 A 10 10 PRO CA C 10 63.426 64.111 -0.685 1
1 44 . 2 1 1 A 10 10 PRO CB C 10 32.209 31.418 0.791 1
1 47 . 2 1 1 A 11 11 TYR H H 11 7.981 7.499 0.482 1
1 48 . 2 1 1 A 11 11 TYR HA H 11 4.659 5.293 -0.634 1
1 55 . 2 1 1 A 11 11 TYR C C 11 175.225 175.688 -0.463 1
1 56 . 2 1 1 A 11 11 TYR CA C 11 57.195 56.269 0.926 1
1 57 . 2 1 1 A 11 11 TYR CB C 11 38.185 41.543 -3.358 1
1 62 . 2 1 1 A 11 11 TYR N N 11 117.941 119.309 -1.368 1
1 63 . 2 1 1 A 12 12 GLY H H 12 8.475 8.687 -0.212 1
1 64 . 2 1 1 A 12 12 GLY HA2 H 12 3.630 4.246 -0.616 1
1 65 . 2 1 1 A 12 12 GLY HA3 H 12 4.709 4.302 0.407 1
1 66 . 2 1 1 A 12 12 GLY C C 12 172.847 172.559 0.288 1
1 67 . 2 1 1 A 12 12 GLY CA C 12 44.512 46.272 -1.760 1
1 68 . 2 1 1 A 12 12 GLY N N 12 111.547 108.843 2.704 1
1 69 . 2 1 1 A 13 13 CYS H H 13 9.098 9.136 -0.038 1
1 70 . 2 1 1 A 13 13 CYS HA H 13 4.701 4.786 -0.085 1
1 73 . 2 1 1 A 13 13 CYS C C 13 177.769 175.903 1.866 1
1 74 . 2 1 1 A 13 13 CYS CA C 13 59.277 59.362 -0.085 1
1 75 . 2 1 1 A 13 13 CYS CB C 13 30.109 28.120 1.989 1
1 76 . 2 1 1 A 13 13 CYS N N 13 124.934 121.461 3.473 1
1 77 . 2 1 1 A 14 14 SER H H 14 9.169 8.920 0.249 1
1 78 . 2 1 1 A 14 14 SER HA H 14 4.273 4.651 -0.378 1
1 81 . 2 1 1 A 14 14 SER C C 14 174.567 173.926 0.641 1
1 82 . 2 1 1 A 14 14 SER CA C 14 60.801 57.796 3.005 1
1 83 . 2 1 1 A 14 14 SER CB C 14 63.065 63.065 0.000 1
1 84 . 2 1 1 A 14 14 SER N N 14 127.617 120.853 6.764 1
1 85 . 2 1 1 A 15 15 GLU H H 15 9.031 7.597 1.434 1
1 86 . 2 1 1 A 15 15 GLU HA H 15 4.274 4.480 -0.206 1
1 91 . 2 1 1 A 15 15 GLU C C 15 177.149 177.813 -0.664 1
1 92 . 2 1 1 A 15 15 GLU CA C 15 57.715 57.174 0.541 1
1 93 . 2 1 1 A 15 15 GLU CB C 15 29.512 31.653 -2.141 1
1 95 . 2 1 1 A 15 15 GLU N N 15 123.683 119.333 4.350 1
1 96 . 2 1 1 A 16 16 CYS H H 16 8.253 7.696 0.557 1
1 97 . 2 1 1 A 16 16 CYS HA H 16 5.178 4.649 0.529 1
1 100 . 2 1 1 A 16 16 CYS C C 16 176.203 175.193 1.010 1
1 101 . 2 1 1 A 16 16 CYS CA C 16 58.466 59.732 -1.266 1
1 102 . 2 1 1 A 16 16 CYS CB C 16 32.439 29.875 2.564 1
1 103 . 2 1 1 A 16 16 CYS N N 16 116.046 114.860 1.186 1
1 104 . 2 1 1 A 17 17 GLY H H 17 8.087 8.099 -0.012 1
1 105 . 2 1 1 A 17 17 GLY HA2 H 17 3.882 4.038 -0.156 1
1 106 . 2 1 1 A 17 17 GLY HA3 H 17 4.225 4.038 0.187 1
1 107 . 2 1 1 A 17 17 GLY C C 17 174.332 173.636 0.696 1
1 108 . 2 1 1 A 17 17 GLY CA C 17 46.224 45.621 0.603 1
1 109 . 2 1 1 A 17 17 GLY N N 17 112.453 109.260 3.193 1
1 110 . 2 1 1 A 18 18 LYS H H 18 7.998 8.062 -0.064 1
1 111 . 2 1 1 A 18 18 LYS HA H 18 4.011 4.730 -0.719 1
1 120 . 2 1 1 A 18 18 LYS C C 18 173.574 174.255 -0.681 1
1 121 . 2 1 1 A 18 18 LYS CA C 18 58.142 54.298 3.844 1
1 122 . 2 1 1 A 18 18 LYS CB C 18 33.979 36.463 -2.484 1
1 126 . 2 1 1 A 18 18 LYS N N 18 123.407 119.754 3.653 1
1 127 . 2 1 1 A 19 19 ALA H H 19 7.768 8.454 -0.686 1
1 128 . 2 1 1 A 19 19 ALA HA H 19 5.057 5.124 -0.067 1
1 132 . 2 1 1 A 19 19 ALA C C 19 176.149 175.059 1.090 1
1 133 . 2 1 1 A 19 19 ALA CA C 19 50.649 49.931 0.718 1
1 134 . 2 1 1 A 19 19 ALA CB C 19 22.135 23.926 -1.791 1
1 135 . 2 1 1 A 19 19 ALA N N 19 122.869 121.307 1.562 1
1 136 . 2 1 1 A 20 20 PHE H H 20 8.400 8.633 -0.233 1
1 137 . 2 1 1 A 20 20 PHE HA H 20 4.787 4.990 -0.203 1
1 145 . 2 1 1 A 20 20 PHE C C 20 175.996 175.730 0.266 1
1 146 . 2 1 1 A 20 20 PHE CA C 20 57.402 56.314 1.088 1
1 147 . 2 1 1 A 20 20 PHE CB C 20 44.177 42.486 1.691 1
1 153 . 2 1 1 A 20 20 PHE N N 20 116.260 114.313 1.947 1
1 154 . 2 1 1 A 21 21 ARG H H 21 9.316 8.635 0.681 1
1 155 . 2 1 1 A 21 21 ARG HA H 21 4.478 4.129 0.349 1
1 162 . 2 1 1 A 21 21 ARG C C 21 175.389 175.941 -0.552 1
1 163 . 2 1 1 A 21 21 ARG CA C 21 57.837 58.544 -0.707 1
1 164 . 2 1 1 A 21 21 ARG CB C 21 31.184 29.855 1.329 1
1 167 . 2 1 1 A 21 21 ARG N N 21 119.000 123.939 -4.939 1
1 168 . 2 1 1 A 22 22 SER H H 22 7.474 7.763 -0.289 1
1 169 . 2 1 1 A 22 22 SER HA H 22 4.696 4.998 -0.302 1
1 172 . 2 1 1 A 22 22 SER C C 22 173.464 174.375 -0.911 1
1 173 . 2 1 1 A 22 22 SER CA C 22 55.901 56.075 -0.174 1
1 174 . 2 1 1 A 22 22 SER CB C 22 66.117 65.957 0.160 1
1 175 . 2 1 1 A 22 22 SER N N 22 109.845 114.627 -4.782 1
1 176 . 2 1 1 A 23 23 LYS H H 23 8.388 8.892 -0.504 1
1 177 . 2 1 1 A 23 23 LYS HA H 23 3.324 2.803 0.521 1
1 186 . 2 1 1 A 23 23 LYS C C 23 178.109 178.401 -0.292 1
1 187 . 2 1 1 A 23 23 LYS CA C 23 58.994 58.534 0.460 1
1 188 . 2 1 1 A 23 23 LYS CB C 23 31.895 31.784 0.111 1
1 192 . 2 1 1 A 23 23 LYS N N 23 125.361 123.321 2.040 1
1 193 . 2 1 1 A 24 24 SER H H 24 8.217 8.077 0.140 1
1 194 . 2 1 1 A 24 24 SER HA H 24 3.980 4.054 -0.074 1
1 197 . 2 1 1 A 24 24 SER C C 24 176.910 176.559 0.351 1
1 198 . 2 1 1 A 24 24 SER CA C 24 61.457 62.384 -0.927 1
1 199 . 2 1 1 A 24 24 SER CB C 24 61.986 62.735 -0.749 1
1 200 . 2 1 1 A 24 24 SER N N 24 113.056 117.158 -4.102 1
1 201 . 2 1 1 A 25 25 TYR H H 25 7.270 8.340 -1.070 1
1 202 . 2 1 1 A 25 25 TYR HA H 25 4.258 4.447 -0.189 1
1 209 . 2 1 1 A 25 25 TYR C C 25 178.363 178.125 0.238 1
1 210 . 2 1 1 A 25 25 TYR CA C 25 59.989 60.951 -0.962 1
1 211 . 2 1 1 A 25 25 TYR CB C 25 37.656 38.062 -0.406 1
1 216 . 2 1 1 A 25 25 TYR N N 25 119.562 119.915 -0.353 1
1 217 . 2 1 1 A 26 26 LEU H H 26 7.354 7.447 -0.093 1
1 218 . 2 1 1 A 26 26 LEU HA H 26 3.466 1.933 1.533 1
1 228 . 2 1 1 A 26 26 LEU C C 26 177.513 177.888 -0.375 1
1 229 . 2 1 1 A 26 26 LEU CA C 26 58.142 56.842 1.300 1
1 230 . 2 1 1 A 26 26 LEU CB C 26 40.723 41.077 -0.354 1
1 234 . 2 1 1 A 26 26 LEU N N 26 122.537 120.874 1.663 1
1 235 . 2 1 1 A 27 27 ILE H H 27 8.244 7.597 0.647 1
1 236 . 2 1 1 A 27 27 ILE HA H 27 3.594 3.450 0.144 1
1 246 . 2 1 1 A 27 27 ILE C C 27 179.045 177.978 1.067 1
1 247 . 2 1 1 A 27 27 ILE CA C 27 65.264 65.134 0.130 1
1 248 . 2 1 1 A 27 27 ILE CB C 27 37.650 37.377 0.273 1
1 252 . 2 1 1 A 27 27 ILE N N 27 120.012 119.598 0.414 1
1 253 . 2 1 1 A 28 28 ILE H H 28 7.350 8.161 -0.811 1
1 254 . 2 1 1 A 28 28 ILE HA H 28 3.541 3.742 -0.201 1
1 264 . 2 1 1 A 28 28 ILE C C 28 179.008 177.011 1.997 1
1 265 . 2 1 1 A 28 28 ILE CA C 28 65.093 64.144 0.949 1
1 266 . 2 1 1 A 28 28 ILE CB C 28 38.473 37.578 0.895 1
1 270 . 2 1 1 A 28 28 ILE N N 28 119.450 121.135 -1.685 1
1 271 . 2 1 1 A 29 29 HIS H H 29 7.774 7.737 0.037 1
1 272 . 2 1 1 A 29 29 HIS HA H 29 4.210 4.451 -0.241 1
1 277 . 2 1 1 A 29 29 HIS C C 29 178.135 177.230 0.905 1
1 278 . 2 1 1 A 29 29 HIS CA C 29 59.320 58.317 1.003 1
1 279 . 2 1 1 A 29 29 HIS CB C 29 28.240 30.605 -2.365 1
1 282 . 2 1 1 A 29 29 HIS N N 29 119.901 121.617 -1.716 1
1 283 . 2 1 1 A 30 30 MET H H 30 8.859 8.306 0.553 1
1 284 . 2 1 1 A 30 30 MET HA H 30 4.061 4.129 -0.068 1
1 292 . 2 1 1 A 30 30 MET C C 30 178.435 178.037 0.398 1
1 293 . 2 1 1 A 30 30 MET CA C 30 58.334 59.123 -0.789 1
1 294 . 2 1 1 A 30 30 MET CB C 30 30.760 33.283 -2.523 1
1 297 . 2 1 1 A 30 30 MET N N 30 119.643 117.993 1.650 1
1 298 . 2 1 1 A 31 31 ARG H H 31 7.334 8.396 -1.062 1
1 299 . 2 1 1 A 31 31 ARG HA H 31 4.214 4.084 0.130 1
1 306 . 2 1 1 A 31 31 ARG C C 31 178.442 177.714 0.728 1
1 307 . 2 1 1 A 31 31 ARG CA C 31 58.742 58.843 -0.101 1
1 308 . 2 1 1 A 31 31 ARG CB C 31 29.921 29.769 0.152 1
1 311 . 2 1 1 A 31 31 ARG N N 31 117.860 117.579 0.281 1
1 312 . 2 1 1 A 32 32 THR H H 32 7.892 8.038 -0.146 1
1 313 . 2 1 1 A 32 32 THR HA H 32 4.129 3.950 0.179 1
1 318 . 2 1 1 A 32 32 THR C C 32 175.441 176.645 -1.204 1
1 319 . 2 1 1 A 32 32 THR CA C 32 63.963 65.592 -1.629 1
1 320 . 2 1 1 A 32 32 THR CB C 32 69.388 68.023 1.365 1
1 322 . 2 1 1 A 32 32 THR N N 32 109.787 111.211 -1.424 1
1 323 . 2 1 1 A 33 33 HIS H H 33 7.270 7.815 -0.545 1
1 324 . 2 1 1 A 33 33 HIS HA H 33 4.921 4.318 0.603 1
1 329 . 2 1 1 A 33 33 HIS C C 33 175.596 175.447 0.149 1
1 330 . 2 1 1 A 33 33 HIS CA C 33 55.469 58.522 -3.053 1
1 331 . 2 1 1 A 33 33 HIS CB C 33 28.877 29.549 -0.672 1
1 334 . 2 1 1 A 33 33 HIS N N 33 118.636 119.305 -0.669 1
1 335 . 2 1 1 A 34 34 THR H H 34 7.842 7.654 0.188 1
1 336 . 2 1 1 A 34 34 THR HA H 34 4.377 4.554 -0.177 1
1 341 . 2 1 1 A 34 34 THR C C 34 175.388 173.164 2.224 1
1 342 . 2 1 1 A 34 34 THR CA C 34 62.369 60.946 1.423 1
1 343 . 2 1 1 A 34 34 THR CB C 34 69.883 71.311 -1.428 1
1 345 . 2 1 1 A 34 34 THR N N 34 112.003 109.178 2.825 1
1 346 . 2 1 1 A 35 35 GLY H H 35 8.325 8.478 -0.153 1
1 347 . 2 1 1 A 35 35 GLY HA2 H 35 4.037 4.144 -0.107 1
1 348 . 2 1 1 A 35 35 GLY HA3 H 35 3.961 4.144 -0.183 1
1 349 . 2 1 1 A 35 35 GLY C C 35 174.027 174.571 -0.544 1
1 350 . 2 1 1 A 35 35 GLY CA C 35 45.420 44.443 0.977 1
1 351 . 2 1 1 A 35 35 GLY N N 35 110.924 114.372 -3.448 1
1 352 . 2 1 1 A 36 36 GLU H H 36 8.134 8.842 -0.708 1
1 353 . 2 1 1 A 36 36 GLU HA H 36 4.252 3.788 0.464 1
1 358 . 2 1 1 A 36 36 GLU C C 36 176.217 174.718 1.499 1
1 359 . 2 1 1 A 36 36 GLU CA C 36 56.529 57.384 -0.855 1
1 360 . 2 1 1 A 36 36 GLU CB C 36 30.526 28.247 2.279 1
1 362 . 2 1 1 A 36 36 GLU N N 36 120.646 119.182 1.464 1
1 363 . 2 1 1 A 37 37 LYS H H 37 8.442 7.739 0.703 1
1 364 . 2 1 1 A 37 37 LYS HA H 37 4.624 4.695 -0.071 1
1 373 . 2 1 1 A 37 37 LYS C C 37 174.470 175.154 -0.684 1
1 374 . 2 1 1 A 37 37 LYS CA C 37 54.105 52.774 1.331 1
1 375 . 2 1 1 A 37 37 LYS CB C 37 32.513 32.766 -0.253 1
1 379 . 2 1 1 A 37 37 LYS N N 37 123.934 119.884 4.050 1
1 380 . 2 1 1 A 38 38 PRO HA H 38 4.472 4.424 0.048 1
1 387 . 2 1 1 A 38 38 PRO C C 38 176.963 176.353 0.610 1
1 388 . 2 1 1 A 38 38 PRO CA C 38 63.242 64.614 -1.372 1
1 389 . 2 1 1 A 38 38 PRO CB C 38 32.184 32.006 0.178 1
1 392 . 2 1 1 A 39 39 SER H H 39 8.479 7.897 0.582 1
1 393 . 2 1 1 A 39 39 SER HA H 39 4.478 4.485 -0.007 1
1 396 . 2 1 1 A 39 39 SER C C 39 174.643 174.267 0.376 1
1 397 . 2 1 1 A 39 39 SER CA C 39 58.498 59.693 -1.195 1
1 398 . 2 1 1 A 39 39 SER CB C 39 63.958 64.383 -0.425 1
1 399 . 2 1 1 A 39 39 SER N N 39 116.485 115.326 1.159 1
1 400 . 2 1 1 A 40 40 GLY H H 40 8.234 8.369 -0.135 1
1 401 . 2 1 1 A 40 40 GLY HA2 H 40 4.173 4.050 0.123 1
1 402 . 2 1 1 A 40 40 GLY HA3 H 40 4.122 4.051 0.071 1
1 403 . 2 1 1 A 40 40 GLY C C 40 171.735 174.767 -3.032 1
1 404 . 2 1 1 A 40 40 GLY CA C 40 44.655 46.094 -1.439 1
1 405 . 2 1 1 A 40 40 GLY N N 40 110.650 112.467 -1.817 1
1 406 . 2 1 1 A 41 41 PRO HA H 41 4.474 4.238 0.236 1
1 413 . 2 1 1 A 41 41 PRO CA C 41 63.258 65.592 -2.334 1
1 414 . 2 1 1 A 41 41 PRO CB C 41 32.111 30.686 1.425 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.954 4.169 -0.215 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.954 4.170 -0.216 1
1 3 . 3 1 1 A 7 7 GLY C C 7 173.934 172.167 1.767 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.271 44.724 0.547 1
1 5 . 3 1 1 A 8 8 VAL H H 8 7.897 8.533 -0.636 1
1 6 . 3 1 1 A 8 8 VAL HA H 8 4.047 4.686 -0.639 1
1 14 . 3 1 1 A 8 8 VAL C C 8 175.891 174.211 1.680 1
1 15 . 3 1 1 A 8 8 VAL CA C 8 62.520 60.211 2.309 1
1 16 . 3 1 1 A 8 8 VAL CB C 8 32.445 34.850 -2.405 1
1 19 . 3 1 1 A 8 8 VAL N N 8 119.114 124.133 -5.019 1
1 20 . 3 1 1 A 9 9 LYS H H 9 8.299 8.618 -0.319 1
1 21 . 3 1 1 A 9 9 LYS HA H 9 4.522 4.519 0.003 1
1 28 . 3 1 1 A 9 9 LYS C C 9 173.981 176.426 -2.445 1
1 29 . 3 1 1 A 9 9 LYS CA C 9 53.793 54.027 -0.234 1
1 30 . 3 1 1 A 9 9 LYS CB C 9 33.011 31.785 1.226 1
1 34 . 3 1 1 A 9 9 LYS N N 9 125.248 127.641 -2.393 1
1 35 . 3 1 1 A 10 10 PRO HA H 10 4.290 4.298 -0.008 1
1 42 . 3 1 1 A 10 10 PRO C C 10 176.364 175.682 0.682 1
1 43 . 3 1 1 A 10 10 PRO CA C 10 63.426 64.200 -0.774 1
1 44 . 3 1 1 A 10 10 PRO CB C 10 32.209 31.295 0.914 1
1 47 . 3 1 1 A 11 11 TYR H H 11 7.981 7.835 0.146 1
1 48 . 3 1 1 A 11 11 TYR HA H 11 4.659 4.926 -0.267 1
1 55 . 3 1 1 A 11 11 TYR C C 11 175.225 174.549 0.676 1
1 56 . 3 1 1 A 11 11 TYR CA C 11 57.195 55.911 1.284 1
1 57 . 3 1 1 A 11 11 TYR CB C 11 38.185 38.731 -0.546 1
1 62 . 3 1 1 A 11 11 TYR N N 11 117.941 117.880 0.061 1
1 63 . 3 1 1 A 12 12 GLY H H 12 8.475 8.985 -0.510 1
1 64 . 3 1 1 A 12 12 GLY HA2 H 12 3.630 4.210 -0.580 1
1 65 . 3 1 1 A 12 12 GLY HA3 H 12 4.709 4.266 0.443 1
1 66 . 3 1 1 A 12 12 GLY C C 12 172.847 173.504 -0.657 1
1 67 . 3 1 1 A 12 12 GLY CA C 12 44.512 45.239 -0.727 1
1 68 . 3 1 1 A 12 12 GLY N N 12 111.547 111.054 0.493 1
1 69 . 3 1 1 A 13 13 CYS H H 13 9.098 8.599 0.499 1
1 70 . 3 1 1 A 13 13 CYS HA H 13 4.701 4.537 0.164 1
1 73 . 3 1 1 A 13 13 CYS C C 13 177.769 176.012 1.757 1
1 74 . 3 1 1 A 13 13 CYS CA C 13 59.277 60.309 -1.032 1
1 75 . 3 1 1 A 13 13 CYS CB C 13 30.109 28.753 1.356 1
1 76 . 3 1 1 A 13 13 CYS N N 13 124.934 126.084 -1.150 1
1 77 . 3 1 1 A 14 14 SER H H 14 9.169 9.037 0.132 1
1 78 . 3 1 1 A 14 14 SER HA H 14 4.273 4.689 -0.416 1
1 81 . 3 1 1 A 14 14 SER C C 14 174.567 175.184 -0.617 1
1 82 . 3 1 1 A 14 14 SER CA C 14 60.801 57.454 3.347 1
1 83 . 3 1 1 A 14 14 SER CB C 14 63.065 62.693 0.372 1
1 84 . 3 1 1 A 14 14 SER N N 14 127.617 123.505 4.112 1
1 85 . 3 1 1 A 15 15 GLU H H 15 9.031 7.597 1.434 1
1 86 . 3 1 1 A 15 15 GLU HA H 15 4.274 4.481 -0.207 1
1 91 . 3 1 1 A 15 15 GLU C C 15 177.149 177.752 -0.603 1
1 92 . 3 1 1 A 15 15 GLU CA C 15 57.715 57.348 0.367 1
1 93 . 3 1 1 A 15 15 GLU CB C 15 29.512 31.971 -2.459 1
1 95 . 3 1 1 A 15 15 GLU N N 15 123.683 122.431 1.252 1
1 96 . 3 1 1 A 16 16 CYS H H 16 8.253 7.701 0.552 1
1 97 . 3 1 1 A 16 16 CYS HA H 16 5.178 4.624 0.554 1
1 100 . 3 1 1 A 16 16 CYS C C 16 176.203 175.308 0.895 1
1 101 . 3 1 1 A 16 16 CYS CA C 16 58.466 59.586 -1.120 1
1 102 . 3 1 1 A 16 16 CYS CB C 16 32.439 29.789 2.650 1
1 103 . 3 1 1 A 16 16 CYS N N 16 116.046 114.522 1.524 1
1 104 . 3 1 1 A 17 17 GLY H H 17 8.087 8.241 -0.154 1
1 105 . 3 1 1 A 17 17 GLY HA2 H 17 3.882 4.071 -0.189 1
1 106 . 3 1 1 A 17 17 GLY HA3 H 17 4.225 4.078 0.147 1
1 107 . 3 1 1 A 17 17 GLY C C 17 174.332 173.820 0.512 1
1 108 . 3 1 1 A 17 17 GLY CA C 17 46.224 45.826 0.398 1
1 109 . 3 1 1 A 17 17 GLY N N 17 112.453 109.489 2.964 1
1 110 . 3 1 1 A 18 18 LYS H H 18 7.998 7.811 0.187 1
1 111 . 3 1 1 A 18 18 LYS HA H 18 4.011 4.795 -0.784 1
1 120 . 3 1 1 A 18 18 LYS C C 18 173.574 174.731 -1.157 1
1 121 . 3 1 1 A 18 18 LYS CA C 18 58.142 54.088 4.054 1
1 122 . 3 1 1 A 18 18 LYS CB C 18 33.979 36.018 -2.039 1
1 126 . 3 1 1 A 18 18 LYS N N 18 123.407 119.087 4.320 1
1 127 . 3 1 1 A 19 19 ALA H H 19 7.768 8.261 -0.493 1
1 128 . 3 1 1 A 19 19 ALA HA H 19 5.057 5.165 -0.108 1
1 132 . 3 1 1 A 19 19 ALA C C 19 176.149 174.744 1.405 1
1 133 . 3 1 1 A 19 19 ALA CA C 19 50.649 50.157 0.492 1
1 134 . 3 1 1 A 19 19 ALA CB C 19 22.135 23.307 -1.172 1
1 135 . 3 1 1 A 19 19 ALA N N 19 122.869 120.748 2.121 1
1 136 . 3 1 1 A 20 20 PHE H H 20 8.400 8.833 -0.433 1
1 137 . 3 1 1 A 20 20 PHE HA H 20 4.787 4.994 -0.207 1
1 145 . 3 1 1 A 20 20 PHE C C 20 175.996 174.955 1.041 1
1 146 . 3 1 1 A 20 20 PHE CA C 20 57.402 56.124 1.278 1
1 147 . 3 1 1 A 20 20 PHE CB C 20 44.177 43.548 0.629 1
1 153 . 3 1 1 A 20 20 PHE N N 20 116.260 117.569 -1.309 1
1 154 . 3 1 1 A 21 21 ARG H H 21 9.316 8.776 0.540 1
1 155 . 3 1 1 A 21 21 ARG HA H 21 4.478 4.654 -0.176 1
1 162 . 3 1 1 A 21 21 ARG C C 21 175.389 175.500 -0.111 1
1 163 . 3 1 1 A 21 21 ARG CA C 21 57.837 55.854 1.983 1
1 164 . 3 1 1 A 21 21 ARG CB C 21 31.184 31.101 0.083 1
1 167 . 3 1 1 A 21 21 ARG N N 21 119.000 124.632 -5.632 1
1 168 . 3 1 1 A 22 22 SER H H 22 7.474 7.748 -0.274 1
1 169 . 3 1 1 A 22 22 SER HA H 22 4.696 4.494 0.202 1
1 172 . 3 1 1 A 22 22 SER C C 22 173.464 173.826 -0.362 1
1 173 . 3 1 1 A 22 22 SER CA C 22 55.901 56.905 -1.004 1
1 174 . 3 1 1 A 22 22 SER CB C 22 66.117 65.309 0.808 1
1 175 . 3 1 1 A 22 22 SER N N 22 109.845 115.044 -5.199 1
1 176 . 3 1 1 A 23 23 LYS H H 23 8.388 8.049 0.339 1
1 177 . 3 1 1 A 23 23 LYS HA H 23 3.324 2.988 0.336 1
1 186 . 3 1 1 A 23 23 LYS C C 23 178.109 177.663 0.446 1
1 187 . 3 1 1 A 23 23 LYS CA C 23 58.994 59.634 -0.640 1
1 188 . 3 1 1 A 23 23 LYS CB C 23 31.895 31.912 -0.017 1
1 192 . 3 1 1 A 23 23 LYS N N 23 125.361 128.341 -2.980 1
1 193 . 3 1 1 A 24 24 SER H H 24 8.217 7.741 0.476 1
1 194 . 3 1 1 A 24 24 SER HA H 24 3.980 4.070 -0.090 1
1 197 . 3 1 1 A 24 24 SER C C 24 176.910 176.788 0.122 1
1 198 . 3 1 1 A 24 24 SER CA C 24 61.457 61.542 -0.085 1
1 199 . 3 1 1 A 24 24 SER CB C 24 61.986 63.130 -1.144 1
1 200 . 3 1 1 A 24 24 SER N N 24 113.056 114.083 -1.027 1
1 201 . 3 1 1 A 25 25 TYR H H 25 7.270 8.518 -1.248 1
1 202 . 3 1 1 A 25 25 TYR HA H 25 4.258 4.265 -0.007 1
1 209 . 3 1 1 A 25 25 TYR C C 25 178.363 177.617 0.746 1
1 210 . 3 1 1 A 25 25 TYR CA C 25 59.989 60.599 -0.610 1
1 211 . 3 1 1 A 25 25 TYR CB C 25 37.656 38.184 -0.528 1
1 216 . 3 1 1 A 25 25 TYR N N 25 119.562 120.162 -0.600 1
1 217 . 3 1 1 A 26 26 LEU H H 26 7.354 7.451 -0.097 1
1 218 . 3 1 1 A 26 26 LEU HA H 26 3.466 2.191 1.275 1
1 228 . 3 1 1 A 26 26 LEU C C 26 177.513 178.245 -0.732 1
1 229 . 3 1 1 A 26 26 LEU CA C 26 58.142 57.713 0.429 1
1 230 . 3 1 1 A 26 26 LEU CB C 26 40.723 41.459 -0.736 1
1 234 . 3 1 1 A 26 26 LEU N N 26 122.537 120.555 1.982 1
1 235 . 3 1 1 A 27 27 ILE H H 27 8.244 7.839 0.405 1
1 236 . 3 1 1 A 27 27 ILE HA H 27 3.594 3.540 0.054 1
1 246 . 3 1 1 A 27 27 ILE C C 27 179.045 177.827 1.218 1
1 247 . 3 1 1 A 27 27 ILE CA C 27 65.264 65.248 0.016 1
1 248 . 3 1 1 A 27 27 ILE CB C 27 37.650 37.744 -0.094 1
1 252 . 3 1 1 A 27 27 ILE N N 27 120.012 119.273 0.739 1
1 253 . 3 1 1 A 28 28 ILE H H 28 7.350 7.766 -0.416 1
1 254 . 3 1 1 A 28 28 ILE HA H 28 3.541 3.732 -0.191 1
1 264 . 3 1 1 A 28 28 ILE C C 28 179.008 177.801 1.207 1
1 265 . 3 1 1 A 28 28 ILE CA C 28 65.093 64.837 0.256 1
1 266 . 3 1 1 A 28 28 ILE CB C 28 38.473 37.829 0.644 1
1 270 . 3 1 1 A 28 28 ILE N N 28 119.450 119.973 -0.523 1
1 271 . 3 1 1 A 29 29 HIS H H 29 7.774 8.007 -0.233 1
1 272 . 3 1 1 A 29 29 HIS HA H 29 4.210 4.329 -0.119 1
1 277 . 3 1 1 A 29 29 HIS C C 29 178.135 177.154 0.981 1
1 278 . 3 1 1 A 29 29 HIS CA C 29 59.320 58.676 0.644 1
1 279 . 3 1 1 A 29 29 HIS CB C 29 28.240 30.157 -1.917 1
1 282 . 3 1 1 A 29 29 HIS N N 29 119.901 122.043 -2.142 1
1 283 . 3 1 1 A 30 30 MET H H 30 8.859 8.519 0.340 1
1 284 . 3 1 1 A 30 30 MET HA H 30 4.061 4.023 0.038 1
1 292 . 3 1 1 A 30 30 MET C C 30 178.435 177.933 0.502 1
1 293 . 3 1 1 A 30 30 MET CA C 30 58.334 58.718 -0.384 1
1 294 . 3 1 1 A 30 30 MET CB C 30 30.760 31.444 -0.684 1
1 297 . 3 1 1 A 30 30 MET N N 30 119.643 117.482 2.161 1
1 298 . 3 1 1 A 31 31 ARG H H 31 7.334 8.437 -1.103 1
1 299 . 3 1 1 A 31 31 ARG HA H 31 4.214 4.054 0.160 1
1 306 . 3 1 1 A 31 31 ARG C C 31 178.442 177.695 0.747 1
1 307 . 3 1 1 A 31 31 ARG CA C 31 58.742 58.700 0.042 1
1 308 . 3 1 1 A 31 31 ARG CB C 31 29.921 29.872 0.049 1
1 311 . 3 1 1 A 31 31 ARG N N 31 117.860 118.206 -0.346 1
1 312 . 3 1 1 A 32 32 THR H H 32 7.892 7.982 -0.090 1
1 313 . 3 1 1 A 32 32 THR HA H 32 4.129 3.897 0.232 1
1 318 . 3 1 1 A 32 32 THR C C 32 175.441 176.812 -1.371 1
1 319 . 3 1 1 A 32 32 THR CA C 32 63.963 65.358 -1.395 1
1 320 . 3 1 1 A 32 32 THR CB C 32 69.388 67.817 1.571 1
1 322 . 3 1 1 A 32 32 THR N N 32 109.787 111.003 -1.216 1
1 323 . 3 1 1 A 33 33 HIS H H 33 7.270 7.395 -0.125 1
1 324 . 3 1 1 A 33 33 HIS HA H 33 4.921 4.358 0.563 1
1 329 . 3 1 1 A 33 33 HIS C C 33 175.596 175.587 0.009 1
1 330 . 3 1 1 A 33 33 HIS CA C 33 55.469 58.559 -3.090 1
1 331 . 3 1 1 A 33 33 HIS CB C 33 28.877 29.527 -0.650 1
1 334 . 3 1 1 A 33 33 HIS N N 33 118.636 119.777 -1.141 1
1 335 . 3 1 1 A 34 34 THR H H 34 7.842 7.858 -0.016 1
1 336 . 3 1 1 A 34 34 THR HA H 34 4.377 4.560 -0.183 1
1 341 . 3 1 1 A 34 34 THR C C 34 175.388 173.632 1.756 1
1 342 . 3 1 1 A 34 34 THR CA C 34 62.369 59.588 2.781 1
1 343 . 3 1 1 A 34 34 THR CB C 34 69.883 71.458 -1.575 1
1 345 . 3 1 1 A 34 34 THR N N 34 112.003 110.072 1.931 1
1 346 . 3 1 1 A 35 35 GLY H H 35 8.325 8.301 0.024 1
1 347 . 3 1 1 A 35 35 GLY HA2 H 35 4.037 3.961 0.076 1
1 348 . 3 1 1 A 35 35 GLY HA3 H 35 3.961 3.969 -0.008 1
1 349 . 3 1 1 A 35 35 GLY C C 35 174.027 174.484 -0.457 1
1 350 . 3 1 1 A 35 35 GLY CA C 35 45.420 45.449 -0.029 1
1 351 . 3 1 1 A 35 35 GLY N N 35 110.924 114.997 -4.073 1
1 352 . 3 1 1 A 36 36 GLU H H 36 8.134 8.034 0.100 1
1 353 . 3 1 1 A 36 36 GLU HA H 36 4.252 4.211 0.041 1
1 358 . 3 1 1 A 36 36 GLU C C 36 176.217 176.545 -0.328 1
1 359 . 3 1 1 A 36 36 GLU CA C 36 56.529 56.853 -0.324 1
1 360 . 3 1 1 A 36 36 GLU CB C 36 30.526 30.390 0.136 1
1 362 . 3 1 1 A 36 36 GLU N N 36 120.646 122.278 -1.632 1
1 363 . 3 1 1 A 37 37 LYS H H 37 8.442 8.348 0.094 1
1 364 . 3 1 1 A 37 37 LYS HA H 37 4.624 4.210 0.414 1
1 373 . 3 1 1 A 37 37 LYS C C 37 174.470 176.647 -2.177 1
1 374 . 3 1 1 A 37 37 LYS CA C 37 54.105 55.324 -1.219 1
1 375 . 3 1 1 A 37 37 LYS CB C 37 32.513 32.167 0.346 1
1 379 . 3 1 1 A 37 37 LYS N N 37 123.934 127.411 -3.477 1
1 380 . 3 1 1 A 38 38 PRO HA H 38 4.472 4.422 0.050 1
1 387 . 3 1 1 A 38 38 PRO C C 38 176.963 175.932 1.031 1
1 388 . 3 1 1 A 38 38 PRO CA C 38 63.242 64.153 -0.911 1
1 389 . 3 1 1 A 38 38 PRO CB C 38 32.184 31.577 0.607 1
1 392 . 3 1 1 A 39 39 SER H H 39 8.479 7.647 0.832 1
1 393 . 3 1 1 A 39 39 SER HA H 39 4.478 4.850 -0.372 1
1 396 . 3 1 1 A 39 39 SER C C 39 174.643 173.258 1.385 1
1 397 . 3 1 1 A 39 39 SER CA C 39 58.498 56.755 1.743 1
1 398 . 3 1 1 A 39 39 SER CB C 39 63.958 65.396 -1.438 1
1 399 . 3 1 1 A 39 39 SER N N 39 116.485 112.940 3.545 1
1 400 . 3 1 1 A 40 40 GLY H H 40 8.234 8.349 -0.115 1
1 401 . 3 1 1 A 40 40 GLY HA2 H 40 4.173 4.150 0.023 1
1 402 . 3 1 1 A 40 40 GLY HA3 H 40 4.122 4.150 -0.028 1
1 403 . 3 1 1 A 40 40 GLY C C 40 171.735 174.166 -2.431 1
1 404 . 3 1 1 A 40 40 GLY CA C 40 44.655 45.401 -0.746 1
1 405 . 3 1 1 A 40 40 GLY N N 40 110.650 113.702 -3.052 1
1 406 . 3 1 1 A 41 41 PRO HA H 41 4.474 4.507 -0.033 1
1 413 . 3 1 1 A 41 41 PRO CA C 41 63.258 64.101 -0.843 1
1 414 . 3 1 1 A 41 41 PRO CB C 41 32.111 31.710 0.401 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.954 4.065 -0.111 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.954 4.067 -0.113 1
1 3 . 4 1 1 A 7 7 GLY C C 7 173.934 172.870 1.064 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.271 44.176 1.095 1
1 5 . 4 1 1 A 8 8 VAL H H 8 7.897 8.313 -0.416 1
1 6 . 4 1 1 A 8 8 VAL HA H 8 4.047 4.720 -0.673 1
1 14 . 4 1 1 A 8 8 VAL C C 8 175.891 175.085 0.806 1
1 15 . 4 1 1 A 8 8 VAL CA C 8 62.520 61.029 1.491 1
1 16 . 4 1 1 A 8 8 VAL CB C 8 32.445 33.248 -0.803 1
1 19 . 4 1 1 A 8 8 VAL N N 8 119.114 120.539 -1.425 1
1 20 . 4 1 1 A 9 9 LYS H H 9 8.299 8.663 -0.364 1
1 21 . 4 1 1 A 9 9 LYS HA H 9 4.522 4.639 -0.117 1
1 28 . 4 1 1 A 9 9 LYS C C 9 173.981 176.327 -2.346 1
1 29 . 4 1 1 A 9 9 LYS CA C 9 53.793 53.667 0.126 1
1 30 . 4 1 1 A 9 9 LYS CB C 9 33.011 32.190 0.821 1
1 34 . 4 1 1 A 9 9 LYS N N 9 125.248 127.784 -2.536 1
1 35 . 4 1 1 A 10 10 PRO HA H 10 4.290 4.299 -0.009 1
1 42 . 4 1 1 A 10 10 PRO C C 10 176.364 175.769 0.595 1
1 43 . 4 1 1 A 10 10 PRO CA C 10 63.426 64.390 -0.964 1
1 44 . 4 1 1 A 10 10 PRO CB C 10 32.209 31.657 0.552 1
1 47 . 4 1 1 A 11 11 TYR H H 11 7.981 7.646 0.335 1
1 48 . 4 1 1 A 11 11 TYR HA H 11 4.659 5.165 -0.506 1
1 55 . 4 1 1 A 11 11 TYR C C 11 175.225 175.066 0.159 1
1 56 . 4 1 1 A 11 11 TYR CA C 11 57.195 56.075 1.120 1
1 57 . 4 1 1 A 11 11 TYR CB C 11 38.185 39.975 -1.790 1
1 62 . 4 1 1 A 11 11 TYR N N 11 117.941 118.343 -0.402 1
1 63 . 4 1 1 A 12 12 GLY H H 12 8.475 9.069 -0.594 1
1 64 . 4 1 1 A 12 12 GLY HA2 H 12 3.630 4.343 -0.713 1
1 65 . 4 1 1 A 12 12 GLY HA3 H 12 4.709 4.381 0.328 1
1 66 . 4 1 1 A 12 12 GLY C C 12 172.847 173.698 -0.851 1
1 67 . 4 1 1 A 12 12 GLY CA C 12 44.512 45.008 -0.496 1
1 68 . 4 1 1 A 12 12 GLY N N 12 111.547 111.773 -0.226 1
1 69 . 4 1 1 A 13 13 CYS H H 13 9.098 9.144 -0.046 1
1 70 . 4 1 1 A 13 13 CYS HA H 13 4.701 4.504 0.197 1
1 73 . 4 1 1 A 13 13 CYS C C 13 177.769 175.118 2.651 1
1 74 . 4 1 1 A 13 13 CYS CA C 13 59.277 60.043 -0.766 1
1 75 . 4 1 1 A 13 13 CYS CB C 13 30.109 28.847 1.262 1
1 76 . 4 1 1 A 13 13 CYS N N 13 124.934 125.934 -1.000 1
1 77 . 4 1 1 A 14 14 SER H H 14 9.169 8.888 0.281 1
1 78 . 4 1 1 A 14 14 SER HA H 14 4.273 4.813 -0.540 1
1 81 . 4 1 1 A 14 14 SER C C 14 174.567 175.209 -0.642 1
1 82 . 4 1 1 A 14 14 SER CA C 14 60.801 57.172 3.629 1
1 83 . 4 1 1 A 14 14 SER CB C 14 63.065 63.694 -0.629 1
1 84 . 4 1 1 A 14 14 SER N N 14 127.617 121.219 6.398 1
1 85 . 4 1 1 A 15 15 GLU H H 15 9.031 7.627 1.404 1
1 86 . 4 1 1 A 15 15 GLU HA H 15 4.274 4.479 -0.205 1
1 91 . 4 1 1 A 15 15 GLU C C 15 177.149 177.778 -0.629 1
1 92 . 4 1 1 A 15 15 GLU CA C 15 57.715 57.317 0.398 1
1 93 . 4 1 1 A 15 15 GLU CB C 15 29.512 32.118 -2.606 1
1 95 . 4 1 1 A 15 15 GLU N N 15 123.683 122.217 1.466 1
1 96 . 4 1 1 A 16 16 CYS H H 16 8.253 7.676 0.577 1
1 97 . 4 1 1 A 16 16 CYS HA H 16 5.178 4.693 0.485 1
1 100 . 4 1 1 A 16 16 CYS C C 16 176.203 175.403 0.800 1
1 101 . 4 1 1 A 16 16 CYS CA C 16 58.466 59.598 -1.132 1
1 102 . 4 1 1 A 16 16 CYS CB C 16 32.439 29.947 2.492 1
1 103 . 4 1 1 A 16 16 CYS N N 16 116.046 115.016 1.030 1
1 104 . 4 1 1 A 17 17 GLY H H 17 8.087 8.237 -0.150 1
1 105 . 4 1 1 A 17 17 GLY HA2 H 17 3.882 4.082 -0.200 1
1 106 . 4 1 1 A 17 17 GLY HA3 H 17 4.225 4.095 0.130 1
1 107 . 4 1 1 A 17 17 GLY C C 17 174.332 173.772 0.560 1
1 108 . 4 1 1 A 17 17 GLY CA C 17 46.224 45.586 0.638 1
1 109 . 4 1 1 A 17 17 GLY N N 17 112.453 109.172 3.281 1
1 110 . 4 1 1 A 18 18 LYS H H 18 7.998 8.160 -0.162 1
1 111 . 4 1 1 A 18 18 LYS HA H 18 4.011 4.710 -0.699 1
1 120 . 4 1 1 A 18 18 LYS C C 18 173.574 174.296 -0.722 1
1 121 . 4 1 1 A 18 18 LYS CA C 18 58.142 54.256 3.886 1
1 122 . 4 1 1 A 18 18 LYS CB C 18 33.979 36.464 -2.485 1
1 126 . 4 1 1 A 18 18 LYS N N 18 123.407 120.822 2.585 1
1 127 . 4 1 1 A 19 19 ALA H H 19 7.768 8.411 -0.643 1
1 128 . 4 1 1 A 19 19 ALA HA H 19 5.057 5.490 -0.433 1
1 132 . 4 1 1 A 19 19 ALA C C 19 176.149 175.160 0.989 1
1 133 . 4 1 1 A 19 19 ALA CA C 19 50.649 49.840 0.809 1
1 134 . 4 1 1 A 19 19 ALA CB C 19 22.135 22.601 -0.466 1
1 135 . 4 1 1 A 19 19 ALA N N 19 122.869 121.925 0.944 1
1 136 . 4 1 1 A 20 20 PHE H H 20 8.400 8.306 0.094 1
1 137 . 4 1 1 A 20 20 PHE HA H 20 4.787 4.903 -0.116 1
1 145 . 4 1 1 A 20 20 PHE C C 20 175.996 175.691 0.305 1
1 146 . 4 1 1 A 20 20 PHE CA C 20 57.402 56.439 0.963 1
1 147 . 4 1 1 A 20 20 PHE CB C 20 44.177 41.805 2.372 1
1 153 . 4 1 1 A 20 20 PHE N N 20 116.260 114.876 1.384 1
1 154 . 4 1 1 A 21 21 ARG H H 21 9.316 8.748 0.568 1
1 155 . 4 1 1 A 21 21 ARG HA H 21 4.478 4.274 0.204 1
1 162 . 4 1 1 A 21 21 ARG C C 21 175.389 176.404 -1.015 1
1 163 . 4 1 1 A 21 21 ARG CA C 21 57.837 58.883 -1.046 1
1 164 . 4 1 1 A 21 21 ARG CB C 21 31.184 29.936 1.248 1
1 167 . 4 1 1 A 21 21 ARG N N 21 119.000 124.524 -5.524 1
1 168 . 4 1 1 A 22 22 SER H H 22 7.474 8.161 -0.687 1
1 169 . 4 1 1 A 22 22 SER HA H 22 4.696 4.805 -0.109 1
1 172 . 4 1 1 A 22 22 SER C C 22 173.464 174.684 -1.220 1
1 173 . 4 1 1 A 22 22 SER CA C 22 55.901 57.392 -1.491 1
1 174 . 4 1 1 A 22 22 SER CB C 22 66.117 65.573 0.544 1
1 175 . 4 1 1 A 22 22 SER N N 22 109.845 114.746 -4.901 1
1 176 . 4 1 1 A 23 23 LYS H H 23 8.388 8.519 -0.131 1
1 177 . 4 1 1 A 23 23 LYS HA H 23 3.324 3.211 0.113 1
1 186 . 4 1 1 A 23 23 LYS C C 23 178.109 178.385 -0.276 1
1 187 . 4 1 1 A 23 23 LYS CA C 23 58.994 58.538 0.456 1
1 188 . 4 1 1 A 23 23 LYS CB C 23 31.895 31.738 0.157 1
1 192 . 4 1 1 A 23 23 LYS N N 23 125.361 122.941 2.420 1
1 193 . 4 1 1 A 24 24 SER H H 24 8.217 8.212 0.005 1
1 194 . 4 1 1 A 24 24 SER HA H 24 3.980 4.067 -0.087 1
1 197 . 4 1 1 A 24 24 SER C C 24 176.910 176.495 0.415 1
1 198 . 4 1 1 A 24 24 SER CA C 24 61.457 61.158 0.299 1
1 199 . 4 1 1 A 24 24 SER CB C 24 61.986 61.978 0.008 1
1 200 . 4 1 1 A 24 24 SER N N 24 113.056 114.471 -1.415 1
1 201 . 4 1 1 A 25 25 TYR H H 25 7.270 8.162 -0.892 1
1 202 . 4 1 1 A 25 25 TYR HA H 25 4.258 4.297 -0.039 1
1 209 . 4 1 1 A 25 25 TYR C C 25 178.363 177.934 0.429 1
1 210 . 4 1 1 A 25 25 TYR CA C 25 59.989 60.418 -0.429 1
1 211 . 4 1 1 A 25 25 TYR CB C 25 37.656 37.811 -0.155 1
1 216 . 4 1 1 A 25 25 TYR N N 25 119.562 119.363 0.199 1
1 217 . 4 1 1 A 26 26 LEU H H 26 7.354 7.711 -0.357 1
1 218 . 4 1 1 A 26 26 LEU HA H 26 3.466 2.518 0.948 1
1 228 . 4 1 1 A 26 26 LEU C C 26 177.513 178.198 -0.685 1
1 229 . 4 1 1 A 26 26 LEU CA C 26 58.142 57.399 0.743 1
1 230 . 4 1 1 A 26 26 LEU CB C 26 40.723 41.421 -0.698 1
1 234 . 4 1 1 A 26 26 LEU N N 26 122.537 120.310 2.227 1
1 235 . 4 1 1 A 27 27 ILE H H 27 8.244 7.802 0.442 1
1 236 . 4 1 1 A 27 27 ILE HA H 27 3.594 3.550 0.044 1
1 246 . 4 1 1 A 27 27 ILE C C 27 179.045 177.769 1.276 1
1 247 . 4 1 1 A 27 27 ILE CA C 27 65.264 65.236 0.028 1
1 248 . 4 1 1 A 27 27 ILE CB C 27 37.650 37.743 -0.093 1
1 252 . 4 1 1 A 27 27 ILE N N 27 120.012 119.520 0.492 1
1 253 . 4 1 1 A 28 28 ILE H H 28 7.350 7.829 -0.479 1
1 254 . 4 1 1 A 28 28 ILE HA H 28 3.541 3.687 -0.146 1
1 264 . 4 1 1 A 28 28 ILE C C 28 179.008 177.996 1.012 1
1 265 . 4 1 1 A 28 28 ILE CA C 28 65.093 64.966 0.127 1
1 266 . 4 1 1 A 28 28 ILE CB C 28 38.473 37.642 0.831 1
1 270 . 4 1 1 A 28 28 ILE N N 28 119.450 119.828 -0.378 1
1 271 . 4 1 1 A 29 29 HIS H H 29 7.774 7.500 0.274 1
1 272 . 4 1 1 A 29 29 HIS HA H 29 4.210 4.130 0.080 1
1 277 . 4 1 1 A 29 29 HIS C C 29 178.135 176.875 1.260 1
1 278 . 4 1 1 A 29 29 HIS CA C 29 59.320 58.736 0.584 1
1 279 . 4 1 1 A 29 29 HIS CB C 29 28.240 29.943 -1.703 1
1 282 . 4 1 1 A 29 29 HIS N N 29 119.901 120.074 -0.173 1
1 283 . 4 1 1 A 30 30 MET H H 30 8.859 8.215 0.644 1
1 284 . 4 1 1 A 30 30 MET HA H 30 4.061 4.232 -0.171 1
1 292 . 4 1 1 A 30 30 MET C C 30 178.435 177.811 0.624 1
1 293 . 4 1 1 A 30 30 MET CA C 30 58.334 58.425 -0.091 1
1 294 . 4 1 1 A 30 30 MET CB C 30 30.760 32.942 -2.182 1
1 297 . 4 1 1 A 30 30 MET N N 30 119.643 117.929 1.714 1
1 298 . 4 1 1 A 31 31 ARG H H 31 7.334 8.450 -1.116 1
1 299 . 4 1 1 A 31 31 ARG HA H 31 4.214 4.092 0.122 1
1 306 . 4 1 1 A 31 31 ARG C C 31 178.442 178.139 0.303 1
1 307 . 4 1 1 A 31 31 ARG CA C 31 58.742 58.823 -0.081 1
1 308 . 4 1 1 A 31 31 ARG CB C 31 29.921 29.719 0.202 1
1 311 . 4 1 1 A 31 31 ARG N N 31 117.860 118.038 -0.178 1
1 312 . 4 1 1 A 32 32 THR H H 32 7.892 7.735 0.157 1
1 313 . 4 1 1 A 32 32 THR HA H 32 4.129 3.974 0.155 1
1 318 . 4 1 1 A 32 32 THR C C 32 175.441 176.364 -0.923 1
1 319 . 4 1 1 A 32 32 THR CA C 32 63.963 65.841 -1.878 1
1 320 . 4 1 1 A 32 32 THR CB C 32 69.388 68.036 1.352 1
1 322 . 4 1 1 A 32 32 THR N N 32 109.787 114.943 -5.156 1
1 323 . 4 1 1 A 33 33 HIS H H 33 7.270 8.151 -0.881 1
1 324 . 4 1 1 A 33 33 HIS HA H 33 4.921 4.171 0.750 1
1 329 . 4 1 1 A 33 33 HIS C C 33 175.596 176.674 -1.078 1
1 330 . 4 1 1 A 33 33 HIS CA C 33 55.469 58.789 -3.320 1
1 331 . 4 1 1 A 33 33 HIS CB C 33 28.877 29.950 -1.073 1
1 334 . 4 1 1 A 33 33 HIS N N 33 118.636 119.875 -1.239 1
1 335 . 4 1 1 A 34 34 THR H H 34 7.842 7.369 0.473 1
1 336 . 4 1 1 A 34 34 THR HA H 34 4.377 4.470 -0.093 1
1 341 . 4 1 1 A 34 34 THR C C 34 175.388 175.730 -0.342 1
1 342 . 4 1 1 A 34 34 THR CA C 34 62.369 62.368 0.001 1
1 343 . 4 1 1 A 34 34 THR CB C 34 69.883 70.488 -0.605 1
1 345 . 4 1 1 A 34 34 THR N N 34 112.003 105.555 6.448 1
1 346 . 4 1 1 A 35 35 GLY H H 35 8.325 8.112 0.213 1
1 347 . 4 1 1 A 35 35 GLY HA2 H 35 4.037 3.901 0.136 1
1 348 . 4 1 1 A 35 35 GLY HA3 H 35 3.961 3.903 0.058 1
1 349 . 4 1 1 A 35 35 GLY C C 35 174.027 175.349 -1.322 1
1 350 . 4 1 1 A 35 35 GLY CA C 35 45.420 46.931 -1.511 1
1 351 . 4 1 1 A 35 35 GLY N N 35 110.924 110.774 0.150 1
1 352 . 4 1 1 A 36 36 GLU H H 36 8.134 8.062 0.072 1
1 353 . 4 1 1 A 36 36 GLU HA H 36 4.252 4.589 -0.337 1
1 358 . 4 1 1 A 36 36 GLU C C 36 176.217 175.348 0.869 1
1 359 . 4 1 1 A 36 36 GLU CA C 36 56.529 55.489 1.040 1
1 360 . 4 1 1 A 36 36 GLU CB C 36 30.526 29.987 0.539 1
1 362 . 4 1 1 A 36 36 GLU N N 36 120.646 117.050 3.596 1
1 363 . 4 1 1 A 37 37 LYS H H 37 8.442 7.385 1.057 1
1 364 . 4 1 1 A 37 37 LYS HA H 37 4.624 4.859 -0.235 1
1 373 . 4 1 1 A 37 37 LYS C C 37 174.470 174.635 -0.165 1
1 374 . 4 1 1 A 37 37 LYS CA C 37 54.105 53.002 1.103 1
1 375 . 4 1 1 A 37 37 LYS CB C 37 32.513 33.419 -0.906 1
1 379 . 4 1 1 A 37 37 LYS N N 37 123.934 121.283 2.651 1
1 380 . 4 1 1 A 38 38 PRO HA H 38 4.472 4.431 0.041 1
1 387 . 4 1 1 A 38 38 PRO C C 38 176.963 176.866 0.097 1
1 388 . 4 1 1 A 38 38 PRO CA C 38 63.242 64.490 -1.248 1
1 389 . 4 1 1 A 38 38 PRO CB C 38 32.184 31.816 0.368 1
1 392 . 4 1 1 A 39 39 SER H H 39 8.479 7.706 0.773 1
1 393 . 4 1 1 A 39 39 SER HA H 39 4.478 4.139 0.339 1
1 396 . 4 1 1 A 39 39 SER C C 39 174.643 175.246 -0.603 1
1 397 . 4 1 1 A 39 39 SER CA C 39 58.498 60.141 -1.643 1
1 398 . 4 1 1 A 39 39 SER CB C 39 63.958 62.400 1.558 1
1 399 . 4 1 1 A 39 39 SER N N 39 116.485 114.036 2.449 1
1 400 . 4 1 1 A 40 40 GLY H H 40 8.234 8.538 -0.304 1
1 401 . 4 1 1 A 40 40 GLY HA2 H 40 4.173 4.210 -0.037 1
1 402 . 4 1 1 A 40 40 GLY HA3 H 40 4.122 4.210 -0.088 1
1 403 . 4 1 1 A 40 40 GLY C C 40 171.735 174.076 -2.341 1
1 404 . 4 1 1 A 40 40 GLY CA C 40 44.655 45.571 -0.916 1
1 405 . 4 1 1 A 40 40 GLY N N 40 110.650 115.101 -4.451 1
1 406 . 4 1 1 A 41 41 PRO HA H 41 4.474 4.302 0.172 1
1 413 . 4 1 1 A 41 41 PRO CA C 41 63.258 65.026 -1.768 1
1 414 . 4 1 1 A 41 41 PRO CB C 41 32.111 32.080 0.031 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.954 3.901 0.053 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.954 3.904 0.050 1
1 3 . 5 1 1 A 7 7 GLY C C 7 173.934 174.309 -0.375 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.271 44.941 0.330 1
1 5 . 5 1 1 A 8 8 VAL H H 8 7.897 8.382 -0.485 1
1 6 . 5 1 1 A 8 8 VAL HA H 8 4.047 4.355 -0.308 1
1 14 . 5 1 1 A 8 8 VAL C C 8 175.891 174.957 0.934 1
1 15 . 5 1 1 A 8 8 VAL CA C 8 62.520 60.444 2.076 1
1 16 . 5 1 1 A 8 8 VAL CB C 8 32.445 31.688 0.757 1
1 19 . 5 1 1 A 8 8 VAL N N 8 119.114 115.753 3.361 1
1 20 . 5 1 1 A 9 9 LYS H H 9 8.299 7.386 0.913 1
1 21 . 5 1 1 A 9 9 LYS HA H 9 4.522 4.867 -0.345 1
1 28 . 5 1 1 A 9 9 LYS C C 9 173.981 175.882 -1.901 1
1 29 . 5 1 1 A 9 9 LYS CA C 9 53.793 53.441 0.352 1
1 30 . 5 1 1 A 9 9 LYS CB C 9 33.011 35.004 -1.993 1
1 34 . 5 1 1 A 9 9 LYS N N 9 125.248 118.629 6.619 1
1 35 . 5 1 1 A 10 10 PRO HA H 10 4.290 4.262 0.028 1
1 42 . 5 1 1 A 10 10 PRO C C 10 176.364 175.672 0.692 1
1 43 . 5 1 1 A 10 10 PRO CA C 10 63.426 64.380 -0.954 1
1 44 . 5 1 1 A 10 10 PRO CB C 10 32.209 31.726 0.483 1
1 47 . 5 1 1 A 11 11 TYR H H 11 7.981 7.475 0.506 1
1 48 . 5 1 1 A 11 11 TYR HA H 11 4.659 5.371 -0.712 1
1 55 . 5 1 1 A 11 11 TYR C C 11 175.225 175.282 -0.057 1
1 56 . 5 1 1 A 11 11 TYR CA C 11 57.195 56.023 1.172 1
1 57 . 5 1 1 A 11 11 TYR CB C 11 38.185 42.345 -4.160 1
1 62 . 5 1 1 A 11 11 TYR N N 11 117.941 118.197 -0.256 1
1 63 . 5 1 1 A 12 12 GLY H H 12 8.475 8.871 -0.396 1
1 64 . 5 1 1 A 12 12 GLY HA2 H 12 3.630 4.399 -0.769 1
1 65 . 5 1 1 A 12 12 GLY HA3 H 12 4.709 4.500 0.209 1
1 66 . 5 1 1 A 12 12 GLY C C 12 172.847 172.353 0.494 1
1 67 . 5 1 1 A 12 12 GLY CA C 12 44.512 45.648 -1.136 1
1 68 . 5 1 1 A 12 12 GLY N N 12 111.547 109.626 1.921 1
1 69 . 5 1 1 A 13 13 CYS H H 13 9.098 8.829 0.269 1
1 70 . 5 1 1 A 13 13 CYS HA H 13 4.701 4.686 0.015 1
1 73 . 5 1 1 A 13 13 CYS C C 13 177.769 175.509 2.260 1
1 74 . 5 1 1 A 13 13 CYS CA C 13 59.277 58.829 0.448 1
1 75 . 5 1 1 A 13 13 CYS CB C 13 30.109 28.758 1.351 1
1 76 . 5 1 1 A 13 13 CYS N N 13 124.934 122.469 2.465 1
1 77 . 5 1 1 A 14 14 SER H H 14 9.169 9.201 -0.032 1
1 78 . 5 1 1 A 14 14 SER HA H 14 4.273 4.268 0.005 1
1 81 . 5 1 1 A 14 14 SER C C 14 174.567 176.951 -2.384 1
1 82 . 5 1 1 A 14 14 SER CA C 14 60.801 61.416 -0.615 1
1 83 . 5 1 1 A 14 14 SER CB C 14 63.065 62.634 0.431 1
1 84 . 5 1 1 A 14 14 SER N N 14 127.617 123.103 4.514 1
1 85 . 5 1 1 A 15 15 GLU H H 15 9.031 8.251 0.780 1
1 86 . 5 1 1 A 15 15 GLU HA H 15 4.274 3.933 0.341 1
1 91 . 5 1 1 A 15 15 GLU C C 15 177.149 178.026 -0.877 1
1 92 . 5 1 1 A 15 15 GLU CA C 15 57.715 59.497 -1.782 1
1 93 . 5 1 1 A 15 15 GLU CB C 15 29.512 29.044 0.468 1
1 95 . 5 1 1 A 15 15 GLU N N 15 123.683 120.655 3.028 1
1 96 . 5 1 1 A 16 16 CYS H H 16 8.253 7.931 0.322 1
1 97 . 5 1 1 A 16 16 CYS HA H 16 5.178 4.672 0.506 1
1 100 . 5 1 1 A 16 16 CYS C C 16 176.203 175.288 0.915 1
1 101 . 5 1 1 A 16 16 CYS CA C 16 58.466 59.636 -1.170 1
1 102 . 5 1 1 A 16 16 CYS CB C 16 32.439 29.891 2.548 1
1 103 . 5 1 1 A 16 16 CYS N N 16 116.046 114.824 1.222 1
1 104 . 5 1 1 A 17 17 GLY H H 17 8.087 8.298 -0.211 1
1 105 . 5 1 1 A 17 17 GLY HA2 H 17 3.882 3.996 -0.114 1
1 106 . 5 1 1 A 17 17 GLY HA3 H 17 4.225 4.009 0.216 1
1 107 . 5 1 1 A 17 17 GLY C C 17 174.332 173.931 0.401 1
1 108 . 5 1 1 A 17 17 GLY CA C 17 46.224 46.284 -0.060 1
1 109 . 5 1 1 A 17 17 GLY N N 17 112.453 109.660 2.793 1
1 110 . 5 1 1 A 18 18 LYS H H 18 7.998 7.699 0.299 1
1 111 . 5 1 1 A 18 18 LYS HA H 18 4.011 4.763 -0.752 1
1 120 . 5 1 1 A 18 18 LYS C C 18 173.574 174.476 -0.902 1
1 121 . 5 1 1 A 18 18 LYS CA C 18 58.142 54.180 3.962 1
1 122 . 5 1 1 A 18 18 LYS CB C 18 33.979 36.330 -2.351 1
1 126 . 5 1 1 A 18 18 LYS N N 18 123.407 118.772 4.635 1
1 127 . 5 1 1 A 19 19 ALA H H 19 7.768 8.152 -0.384 1
1 128 . 5 1 1 A 19 19 ALA HA H 19 5.057 5.214 -0.157 1
1 132 . 5 1 1 A 19 19 ALA C C 19 176.149 174.904 1.245 1
1 133 . 5 1 1 A 19 19 ALA CA C 19 50.649 50.353 0.296 1
1 134 . 5 1 1 A 19 19 ALA CB C 19 22.135 23.919 -1.784 1
1 135 . 5 1 1 A 19 19 ALA N N 19 122.869 120.626 2.243 1
1 136 . 5 1 1 A 20 20 PHE H H 20 8.400 8.387 0.013 1
1 137 . 5 1 1 A 20 20 PHE HA H 20 4.787 5.012 -0.225 1
1 145 . 5 1 1 A 20 20 PHE C C 20 175.996 175.899 0.097 1
1 146 . 5 1 1 A 20 20 PHE CA C 20 57.402 56.403 0.999 1
1 147 . 5 1 1 A 20 20 PHE CB C 20 44.177 41.196 2.981 1
1 153 . 5 1 1 A 20 20 PHE N N 20 116.260 116.466 -0.206 1
1 154 . 5 1 1 A 21 21 ARG H H 21 9.316 8.916 0.400 1
1 155 . 5 1 1 A 21 21 ARG HA H 21 4.478 4.072 0.406 1
1 162 . 5 1 1 A 21 21 ARG C C 21 175.389 175.946 -0.557 1
1 163 . 5 1 1 A 21 21 ARG CA C 21 57.837 59.600 -1.763 1
1 164 . 5 1 1 A 21 21 ARG CB C 21 31.184 30.484 0.700 1
1 167 . 5 1 1 A 21 21 ARG N N 21 119.000 127.369 -8.369 1
1 168 . 5 1 1 A 22 22 SER H H 22 7.474 8.229 -0.755 1
1 169 . 5 1 1 A 22 22 SER HA H 22 4.696 4.983 -0.287 1
1 172 . 5 1 1 A 22 22 SER C C 22 173.464 175.160 -1.696 1
1 173 . 5 1 1 A 22 22 SER CA C 22 55.901 55.648 0.253 1
1 174 . 5 1 1 A 22 22 SER CB C 22 66.117 66.272 -0.155 1
1 175 . 5 1 1 A 22 22 SER N N 22 109.845 109.825 0.020 1
1 176 . 5 1 1 A 23 23 LYS H H 23 8.388 8.648 -0.260 1
1 177 . 5 1 1 A 23 23 LYS HA H 23 3.324 2.971 0.353 1
1 186 . 5 1 1 A 23 23 LYS C C 23 178.109 178.171 -0.062 1
1 187 . 5 1 1 A 23 23 LYS CA C 23 58.994 59.093 -0.099 1
1 188 . 5 1 1 A 23 23 LYS CB C 23 31.895 31.776 0.119 1
1 192 . 5 1 1 A 23 23 LYS N N 23 125.361 122.379 2.982 1
1 193 . 5 1 1 A 24 24 SER H H 24 8.217 8.050 0.167 1
1 194 . 5 1 1 A 24 24 SER HA H 24 3.980 4.050 -0.070 1
1 197 . 5 1 1 A 24 24 SER C C 24 176.910 176.268 0.642 1
1 198 . 5 1 1 A 24 24 SER CA C 24 61.457 62.047 -0.590 1
1 199 . 5 1 1 A 24 24 SER CB C 24 61.986 62.622 -0.636 1
1 200 . 5 1 1 A 24 24 SER N N 24 113.056 115.993 -2.937 1
1 201 . 5 1 1 A 25 25 TYR H H 25 7.270 7.778 -0.508 1
1 202 . 5 1 1 A 25 25 TYR HA H 25 4.258 4.313 -0.055 1
1 209 . 5 1 1 A 25 25 TYR C C 25 178.363 177.798 0.565 1
1 210 . 5 1 1 A 25 25 TYR CA C 25 59.989 60.783 -0.794 1
1 211 . 5 1 1 A 25 25 TYR CB C 25 37.656 38.418 -0.762 1
1 216 . 5 1 1 A 25 25 TYR N N 25 119.562 120.100 -0.538 1
1 217 . 5 1 1 A 26 26 LEU H H 26 7.354 7.716 -0.362 1
1 218 . 5 1 1 A 26 26 LEU HA H 26 3.466 2.245 1.221 1
1 228 . 5 1 1 A 26 26 LEU C C 26 177.513 178.300 -0.787 1
1 229 . 5 1 1 A 26 26 LEU CA C 26 58.142 57.721 0.421 1
1 230 . 5 1 1 A 26 26 LEU CB C 26 40.723 41.340 -0.617 1
1 234 . 5 1 1 A 26 26 LEU N N 26 122.537 120.604 1.933 1
1 235 . 5 1 1 A 27 27 ILE H H 27 8.244 7.531 0.713 1
1 236 . 5 1 1 A 27 27 ILE HA H 27 3.594 3.522 0.072 1
1 246 . 5 1 1 A 27 27 ILE C C 27 179.045 177.824 1.221 1
1 247 . 5 1 1 A 27 27 ILE CA C 27 65.264 65.280 -0.016 1
1 248 . 5 1 1 A 27 27 ILE CB C 27 37.650 37.752 -0.102 1
1 252 . 5 1 1 A 27 27 ILE N N 27 120.012 119.239 0.773 1
1 253 . 5 1 1 A 28 28 ILE H H 28 7.350 7.856 -0.506 1
1 254 . 5 1 1 A 28 28 ILE HA H 28 3.541 3.802 -0.261 1
1 264 . 5 1 1 A 28 28 ILE C C 28 179.008 178.147 0.861 1
1 265 . 5 1 1 A 28 28 ILE CA C 28 65.093 64.940 0.153 1
1 266 . 5 1 1 A 28 28 ILE CB C 28 38.473 38.018 0.455 1
1 270 . 5 1 1 A 28 28 ILE N N 28 119.450 120.095 -0.645 1
1 271 . 5 1 1 A 29 29 HIS H H 29 7.774 8.075 -0.301 1
1 272 . 5 1 1 A 29 29 HIS HA H 29 4.210 4.393 -0.183 1
1 277 . 5 1 1 A 29 29 HIS C C 29 178.135 177.200 0.935 1
1 278 . 5 1 1 A 29 29 HIS CA C 29 59.320 58.635 0.685 1
1 279 . 5 1 1 A 29 29 HIS CB C 29 28.240 30.204 -1.964 1
1 282 . 5 1 1 A 29 29 HIS N N 29 119.901 122.113 -2.212 1
1 283 . 5 1 1 A 30 30 MET H H 30 8.859 8.403 0.456 1
1 284 . 5 1 1 A 30 30 MET HA H 30 4.061 4.003 0.058 1
1 292 . 5 1 1 A 30 30 MET C C 30 178.435 177.976 0.459 1
1 293 . 5 1 1 A 30 30 MET CA C 30 58.334 58.673 -0.339 1
1 294 . 5 1 1 A 30 30 MET CB C 30 30.760 31.966 -1.206 1
1 297 . 5 1 1 A 30 30 MET N N 30 119.643 117.202 2.441 1
1 298 . 5 1 1 A 31 31 ARG H H 31 7.334 8.482 -1.148 1
1 299 . 5 1 1 A 31 31 ARG HA H 31 4.214 4.108 0.106 1
1 306 . 5 1 1 A 31 31 ARG C C 31 178.442 177.680 0.762 1
1 307 . 5 1 1 A 31 31 ARG CA C 31 58.742 58.800 -0.058 1
1 308 . 5 1 1 A 31 31 ARG CB C 31 29.921 29.888 0.033 1
1 311 . 5 1 1 A 31 31 ARG N N 31 117.860 118.566 -0.706 1
1 312 . 5 1 1 A 32 32 THR H H 32 7.892 7.508 0.384 1
1 313 . 5 1 1 A 32 32 THR HA H 32 4.129 3.975 0.154 1
1 318 . 5 1 1 A 32 32 THR C C 32 175.441 176.501 -1.060 1
1 319 . 5 1 1 A 32 32 THR CA C 32 63.963 65.539 -1.576 1
1 320 . 5 1 1 A 32 32 THR CB C 32 69.388 68.249 1.139 1
1 322 . 5 1 1 A 32 32 THR N N 32 109.787 111.308 -1.521 1
1 323 . 5 1 1 A 33 33 HIS H H 33 7.270 7.849 -0.579 1
1 324 . 5 1 1 A 33 33 HIS HA H 33 4.921 4.242 0.679 1
1 329 . 5 1 1 A 33 33 HIS C C 33 175.596 175.359 0.237 1
1 330 . 5 1 1 A 33 33 HIS CA C 33 55.469 58.806 -3.337 1
1 331 . 5 1 1 A 33 33 HIS CB C 33 28.877 29.751 -0.874 1
1 334 . 5 1 1 A 33 33 HIS N N 33 118.636 119.372 -0.736 1
1 335 . 5 1 1 A 34 34 THR H H 34 7.842 8.068 -0.226 1
1 336 . 5 1 1 A 34 34 THR HA H 34 4.377 4.531 -0.154 1
1 341 . 5 1 1 A 34 34 THR C C 34 175.388 174.901 0.487 1
1 342 . 5 1 1 A 34 34 THR CA C 34 62.369 60.932 1.437 1
1 343 . 5 1 1 A 34 34 THR CB C 34 69.883 70.859 -0.976 1
1 345 . 5 1 1 A 34 34 THR N N 34 112.003 111.738 0.265 1
1 346 . 5 1 1 A 35 35 GLY H H 35 8.325 8.990 -0.665 1
1 347 . 5 1 1 A 35 35 GLY HA2 H 35 4.037 3.867 0.170 1
1 348 . 5 1 1 A 35 35 GLY HA3 H 35 3.961 3.871 0.090 1
1 349 . 5 1 1 A 35 35 GLY C C 35 174.027 174.882 -0.855 1
1 350 . 5 1 1 A 35 35 GLY CA C 35 45.420 46.453 -1.033 1
1 351 . 5 1 1 A 35 35 GLY N N 35 110.924 115.466 -4.542 1
1 352 . 5 1 1 A 36 36 GLU H H 36 8.134 7.945 0.189 1
1 353 . 5 1 1 A 36 36 GLU HA H 36 4.252 4.641 -0.389 1
1 358 . 5 1 1 A 36 36 GLU C C 36 176.217 175.142 1.075 1
1 359 . 5 1 1 A 36 36 GLU CA C 36 56.529 55.562 0.967 1
1 360 . 5 1 1 A 36 36 GLU CB C 36 30.526 29.518 1.008 1
1 362 . 5 1 1 A 36 36 GLU N N 36 120.646 117.076 3.570 1
1 363 . 5 1 1 A 37 37 LYS H H 37 8.442 7.938 0.504 1
1 364 . 5 1 1 A 37 37 LYS HA H 37 4.624 4.901 -0.277 1
1 373 . 5 1 1 A 37 37 LYS C C 37 174.470 175.019 -0.549 1
1 374 . 5 1 1 A 37 37 LYS CA C 37 54.105 53.742 0.363 1
1 375 . 5 1 1 A 37 37 LYS CB C 37 32.513 33.004 -0.491 1
1 379 . 5 1 1 A 37 37 LYS N N 37 123.934 122.633 1.301 1
1 380 . 5 1 1 A 38 38 PRO HA H 38 4.472 4.501 -0.029 1
1 387 . 5 1 1 A 38 38 PRO C C 38 176.963 175.393 1.570 1
1 388 . 5 1 1 A 38 38 PRO CA C 38 63.242 64.132 -0.890 1
1 389 . 5 1 1 A 38 38 PRO CB C 38 32.184 31.823 0.361 1
1 392 . 5 1 1 A 39 39 SER H H 39 8.479 7.396 1.083 1
1 393 . 5 1 1 A 39 39 SER HA H 39 4.478 4.762 -0.284 1
1 396 . 5 1 1 A 39 39 SER C C 39 174.643 173.897 0.746 1
1 397 . 5 1 1 A 39 39 SER CA C 39 58.498 56.566 1.932 1
1 398 . 5 1 1 A 39 39 SER CB C 39 63.958 66.340 -2.382 1
1 399 . 5 1 1 A 39 39 SER N N 39 116.485 110.126 6.359 1
1 400 . 5 1 1 A 40 40 GLY H H 40 8.234 8.383 -0.149 1
1 401 . 5 1 1 A 40 40 GLY HA2 H 40 4.173 4.046 0.127 1
1 402 . 5 1 1 A 40 40 GLY HA3 H 40 4.122 4.046 0.076 1
1 403 . 5 1 1 A 40 40 GLY C C 40 171.735 174.027 -2.292 1
1 404 . 5 1 1 A 40 40 GLY CA C 40 44.655 45.452 -0.797 1
1 405 . 5 1 1 A 40 40 GLY N N 40 110.650 108.408 2.242 1
1 406 . 5 1 1 A 41 41 PRO HA H 41 4.474 4.641 -0.167 1
1 413 . 5 1 1 A 41 41 PRO CA C 41 63.258 62.865 0.393 1
1 414 . 5 1 1 A 41 41 PRO CB C 41 32.111 33.358 -1.247 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.954 3.919 0.035 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.954 3.921 0.033 1
1 3 . 6 1 1 A 7 7 GLY C C 7 173.934 173.590 0.344 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.271 46.962 -1.691 1
1 5 . 6 1 1 A 8 8 VAL H H 8 7.897 7.711 0.186 1
1 6 . 6 1 1 A 8 8 VAL HA H 8 4.047 4.827 -0.780 1
1 14 . 6 1 1 A 8 8 VAL C C 8 175.891 175.142 0.749 1
1 15 . 6 1 1 A 8 8 VAL CA C 8 62.520 59.937 2.583 1
1 16 . 6 1 1 A 8 8 VAL CB C 8 32.445 34.722 -2.277 1
1 19 . 6 1 1 A 8 8 VAL N N 8 119.114 114.734 4.380 1
1 20 . 6 1 1 A 9 9 LYS H H 9 8.299 8.360 -0.061 1
1 21 . 6 1 1 A 9 9 LYS HA H 9 4.522 4.249 0.273 1
1 28 . 6 1 1 A 9 9 LYS C C 9 173.981 176.693 -2.712 1
1 29 . 6 1 1 A 9 9 LYS CA C 9 53.793 55.669 -1.876 1
1 30 . 6 1 1 A 9 9 LYS CB C 9 33.011 32.504 0.507 1
1 34 . 6 1 1 A 9 9 LYS N N 9 125.248 121.370 3.878 1
1 35 . 6 1 1 A 10 10 PRO HA H 10 4.290 4.266 0.024 1
1 42 . 6 1 1 A 10 10 PRO C C 10 176.364 175.846 0.518 1
1 43 . 6 1 1 A 10 10 PRO CA C 10 63.426 64.542 -1.116 1
1 44 . 6 1 1 A 10 10 PRO CB C 10 32.209 31.764 0.445 1
1 47 . 6 1 1 A 11 11 TYR H H 11 7.981 7.684 0.297 1
1 48 . 6 1 1 A 11 11 TYR HA H 11 4.659 5.207 -0.548 1
1 55 . 6 1 1 A 11 11 TYR C C 11 175.225 174.769 0.456 1
1 56 . 6 1 1 A 11 11 TYR CA C 11 57.195 56.070 1.125 1
1 57 . 6 1 1 A 11 11 TYR CB C 11 38.185 40.211 -2.026 1
1 62 . 6 1 1 A 11 11 TYR N N 11 117.941 117.955 -0.014 1
1 63 . 6 1 1 A 12 12 GLY H H 12 8.475 9.147 -0.672 1
1 64 . 6 1 1 A 12 12 GLY HA2 H 12 3.630 4.238 -0.608 1
1 65 . 6 1 1 A 12 12 GLY HA3 H 12 4.709 4.247 0.462 1
1 66 . 6 1 1 A 12 12 GLY C C 12 172.847 174.055 -1.208 1
1 67 . 6 1 1 A 12 12 GLY CA C 12 44.512 45.783 -1.271 1
1 68 . 6 1 1 A 12 12 GLY N N 12 111.547 111.425 0.122 1
1 69 . 6 1 1 A 13 13 CYS H H 13 9.098 8.742 0.356 1
1 70 . 6 1 1 A 13 13 CYS HA H 13 4.701 4.453 0.248 1
1 73 . 6 1 1 A 13 13 CYS C C 13 177.769 175.115 2.654 1
1 74 . 6 1 1 A 13 13 CYS CA C 13 59.277 59.998 -0.721 1
1 75 . 6 1 1 A 13 13 CYS CB C 13 30.109 28.773 1.336 1
1 76 . 6 1 1 A 13 13 CYS N N 13 124.934 125.536 -0.602 1
1 77 . 6 1 1 A 14 14 SER H H 14 9.169 9.027 0.142 1
1 78 . 6 1 1 A 14 14 SER HA H 14 4.273 4.398 -0.125 1
1 81 . 6 1 1 A 14 14 SER C C 14 174.567 176.441 -1.874 1
1 82 . 6 1 1 A 14 14 SER CA C 14 60.801 60.823 -0.022 1
1 83 . 6 1 1 A 14 14 SER CB C 14 63.065 63.853 -0.788 1
1 84 . 6 1 1 A 14 14 SER N N 14 127.617 121.458 6.159 1
1 85 . 6 1 1 A 15 15 GLU H H 15 9.031 8.290 0.741 1
1 86 . 6 1 1 A 15 15 GLU HA H 15 4.274 3.915 0.359 1
1 91 . 6 1 1 A 15 15 GLU C C 15 177.149 178.142 -0.993 1
1 92 . 6 1 1 A 15 15 GLU CA C 15 57.715 59.447 -1.732 1
1 93 . 6 1 1 A 15 15 GLU CB C 15 29.512 28.833 0.679 1
1 95 . 6 1 1 A 15 15 GLU N N 15 123.683 121.005 2.678 1
1 96 . 6 1 1 A 16 16 CYS H H 16 8.253 7.982 0.271 1
1 97 . 6 1 1 A 16 16 CYS HA H 16 5.178 4.694 0.484 1
1 100 . 6 1 1 A 16 16 CYS C C 16 176.203 175.382 0.821 1
1 101 . 6 1 1 A 16 16 CYS CA C 16 58.466 59.695 -1.229 1
1 102 . 6 1 1 A 16 16 CYS CB C 16 32.439 29.955 2.484 1
1 103 . 6 1 1 A 16 16 CYS N N 16 116.046 114.853 1.193 1
1 104 . 6 1 1 A 17 17 GLY H H 17 8.087 8.332 -0.245 1
1 105 . 6 1 1 A 17 17 GLY HA2 H 17 3.882 4.032 -0.150 1
1 106 . 6 1 1 A 17 17 GLY HA3 H 17 4.225 4.038 0.187 1
1 107 . 6 1 1 A 17 17 GLY C C 17 174.332 173.989 0.343 1
1 108 . 6 1 1 A 17 17 GLY CA C 17 46.224 45.931 0.293 1
1 109 . 6 1 1 A 17 17 GLY N N 17 112.453 110.199 2.254 1
1 110 . 6 1 1 A 18 18 LYS H H 18 7.998 7.775 0.223 1
1 111 . 6 1 1 A 18 18 LYS HA H 18 4.011 4.738 -0.727 1
1 120 . 6 1 1 A 18 18 LYS C C 18 173.574 174.701 -1.127 1
1 121 . 6 1 1 A 18 18 LYS CA C 18 58.142 54.040 4.102 1
1 122 . 6 1 1 A 18 18 LYS CB C 18 33.979 35.299 -1.320 1
1 126 . 6 1 1 A 18 18 LYS N N 18 123.407 118.532 4.875 1
1 127 . 6 1 1 A 19 19 ALA H H 19 7.768 8.256 -0.488 1
1 128 . 6 1 1 A 19 19 ALA HA H 19 5.057 5.433 -0.376 1
1 132 . 6 1 1 A 19 19 ALA C C 19 176.149 175.163 0.986 1
1 133 . 6 1 1 A 19 19 ALA CA C 19 50.649 49.991 0.658 1
1 134 . 6 1 1 A 19 19 ALA CB C 19 22.135 23.551 -1.416 1
1 135 . 6 1 1 A 19 19 ALA N N 19 122.869 120.836 2.033 1
1 136 . 6 1 1 A 20 20 PHE H H 20 8.400 8.434 -0.034 1
1 137 . 6 1 1 A 20 20 PHE HA H 20 4.787 4.990 -0.203 1
1 145 . 6 1 1 A 20 20 PHE C C 20 175.996 175.871 0.125 1
1 146 . 6 1 1 A 20 20 PHE CA C 20 57.402 56.375 1.027 1
1 147 . 6 1 1 A 20 20 PHE CB C 20 44.177 41.048 3.129 1
1 153 . 6 1 1 A 20 20 PHE N N 20 116.260 116.820 -0.560 1
1 154 . 6 1 1 A 21 21 ARG H H 21 9.316 8.790 0.526 1
1 155 . 6 1 1 A 21 21 ARG HA H 21 4.478 3.989 0.489 1
1 162 . 6 1 1 A 21 21 ARG C C 21 175.389 175.904 -0.515 1
1 163 . 6 1 1 A 21 21 ARG CA C 21 57.837 59.385 -1.548 1
1 164 . 6 1 1 A 21 21 ARG CB C 21 31.184 30.259 0.925 1
1 167 . 6 1 1 A 21 21 ARG N N 21 119.000 127.442 -8.442 1
1 168 . 6 1 1 A 22 22 SER H H 22 7.474 7.878 -0.404 1
1 169 . 6 1 1 A 22 22 SER HA H 22 4.696 4.877 -0.181 1
1 172 . 6 1 1 A 22 22 SER C C 22 173.464 175.297 -1.833 1
1 173 . 6 1 1 A 22 22 SER CA C 22 55.901 55.876 0.025 1
1 174 . 6 1 1 A 22 22 SER CB C 22 66.117 66.134 -0.017 1
1 175 . 6 1 1 A 22 22 SER N N 22 109.845 109.425 0.420 1
1 176 . 6 1 1 A 23 23 LYS H H 23 8.388 8.857 -0.469 1
1 177 . 6 1 1 A 23 23 LYS HA H 23 3.324 3.074 0.250 1
1 186 . 6 1 1 A 23 23 LYS C C 23 178.109 177.841 0.268 1
1 187 . 6 1 1 A 23 23 LYS CA C 23 58.994 58.505 0.489 1
1 188 . 6 1 1 A 23 23 LYS CB C 23 31.895 32.363 -0.468 1
1 192 . 6 1 1 A 23 23 LYS N N 23 125.361 122.421 2.940 1
1 193 . 6 1 1 A 24 24 SER H H 24 8.217 8.035 0.182 1
1 194 . 6 1 1 A 24 24 SER HA H 24 3.980 4.031 -0.051 1
1 197 . 6 1 1 A 24 24 SER C C 24 176.910 176.692 0.218 1
1 198 . 6 1 1 A 24 24 SER CA C 24 61.457 61.385 0.072 1
1 199 . 6 1 1 A 24 24 SER CB C 24 61.986 63.195 -1.209 1
1 200 . 6 1 1 A 24 24 SER N N 24 113.056 114.394 -1.338 1
1 201 . 6 1 1 A 25 25 TYR H H 25 7.270 7.907 -0.637 1
1 202 . 6 1 1 A 25 25 TYR HA H 25 4.258 4.238 0.020 1
1 209 . 6 1 1 A 25 25 TYR C C 25 178.363 177.452 0.911 1
1 210 . 6 1 1 A 25 25 TYR CA C 25 59.989 60.665 -0.676 1
1 211 . 6 1 1 A 25 25 TYR CB C 25 37.656 38.592 -0.936 1
1 216 . 6 1 1 A 25 25 TYR N N 25 119.562 119.383 0.179 1
1 217 . 6 1 1 A 26 26 LEU H H 26 7.354 7.547 -0.193 1
1 218 . 6 1 1 A 26 26 LEU HA H 26 3.466 2.166 1.300 1
1 228 . 6 1 1 A 26 26 LEU C C 26 177.513 178.229 -0.716 1
1 229 . 6 1 1 A 26 26 LEU CA C 26 58.142 57.672 0.470 1
1 230 . 6 1 1 A 26 26 LEU CB C 26 40.723 41.377 -0.654 1
1 234 . 6 1 1 A 26 26 LEU N N 26 122.537 120.610 1.927 1
1 235 . 6 1 1 A 27 27 ILE H H 27 8.244 7.623 0.621 1
1 236 . 6 1 1 A 27 27 ILE HA H 27 3.594 3.489 0.105 1
1 246 . 6 1 1 A 27 27 ILE C C 27 179.045 177.680 1.365 1
1 247 . 6 1 1 A 27 27 ILE CA C 27 65.264 65.364 -0.100 1
1 248 . 6 1 1 A 27 27 ILE CB C 27 37.650 37.845 -0.195 1
1 252 . 6 1 1 A 27 27 ILE N N 27 120.012 119.423 0.589 1
1 253 . 6 1 1 A 28 28 ILE H H 28 7.350 7.695 -0.345 1
1 254 . 6 1 1 A 28 28 ILE HA H 28 3.541 3.813 -0.272 1
1 264 . 6 1 1 A 28 28 ILE C C 28 179.008 176.665 2.343 1
1 265 . 6 1 1 A 28 28 ILE CA C 28 65.093 63.616 1.477 1
1 266 . 6 1 1 A 28 28 ILE CB C 28 38.473 37.457 1.016 1
1 270 . 6 1 1 A 28 28 ILE N N 28 119.450 120.082 -0.632 1
1 271 . 6 1 1 A 29 29 HIS H H 29 7.774 8.036 -0.262 1
1 272 . 6 1 1 A 29 29 HIS HA H 29 4.210 4.468 -0.258 1
1 277 . 6 1 1 A 29 29 HIS C C 29 178.135 177.170 0.965 1
1 278 . 6 1 1 A 29 29 HIS CA C 29 59.320 57.994 1.326 1
1 279 . 6 1 1 A 29 29 HIS CB C 29 28.240 30.729 -2.489 1
1 282 . 6 1 1 A 29 29 HIS N N 29 119.901 122.082 -2.181 1
1 283 . 6 1 1 A 30 30 MET H H 30 8.859 8.700 0.159 1
1 284 . 6 1 1 A 30 30 MET HA H 30 4.061 4.145 -0.084 1
1 292 . 6 1 1 A 30 30 MET C C 30 178.435 177.954 0.481 1
1 293 . 6 1 1 A 30 30 MET CA C 30 58.334 58.309 0.025 1
1 294 . 6 1 1 A 30 30 MET CB C 30 30.760 31.021 -0.261 1
1 297 . 6 1 1 A 30 30 MET N N 30 119.643 117.077 2.566 1
1 298 . 6 1 1 A 31 31 ARG H H 31 7.334 8.315 -0.981 1
1 299 . 6 1 1 A 31 31 ARG HA H 31 4.214 4.106 0.108 1
1 306 . 6 1 1 A 31 31 ARG C C 31 178.442 177.505 0.937 1
1 307 . 6 1 1 A 31 31 ARG CA C 31 58.742 58.596 0.146 1
1 308 . 6 1 1 A 31 31 ARG CB C 31 29.921 30.102 -0.181 1
1 311 . 6 1 1 A 31 31 ARG N N 31 117.860 118.786 -0.926 1
1 312 . 6 1 1 A 32 32 THR H H 32 7.892 7.656 0.236 1
1 313 . 6 1 1 A 32 32 THR HA H 32 4.129 4.097 0.032 1
1 318 . 6 1 1 A 32 32 THR C C 32 175.441 176.907 -1.466 1
1 319 . 6 1 1 A 32 32 THR CA C 32 63.963 64.851 -0.888 1
1 320 . 6 1 1 A 32 32 THR CB C 32 69.388 68.342 1.046 1
1 322 . 6 1 1 A 32 32 THR N N 32 109.787 111.207 -1.420 1
1 323 . 6 1 1 A 33 33 HIS H H 33 7.270 7.514 -0.244 1
1 324 . 6 1 1 A 33 33 HIS HA H 33 4.921 4.303 0.618 1
1 329 . 6 1 1 A 33 33 HIS C C 33 175.596 175.834 -0.238 1
1 330 . 6 1 1 A 33 33 HIS CA C 33 55.469 59.474 -4.005 1
1 331 . 6 1 1 A 33 33 HIS CB C 33 28.877 30.117 -1.240 1
1 334 . 6 1 1 A 33 33 HIS N N 33 118.636 119.050 -0.414 1
1 335 . 6 1 1 A 34 34 THR H H 34 7.842 7.626 0.216 1
1 336 . 6 1 1 A 34 34 THR HA H 34 4.377 4.244 0.133 1
1 341 . 6 1 1 A 34 34 THR C C 34 175.388 175.289 0.099 1
1 342 . 6 1 1 A 34 34 THR CA C 34 62.369 63.257 -0.888 1
1 343 . 6 1 1 A 34 34 THR CB C 34 69.883 68.611 1.272 1
1 345 . 6 1 1 A 34 34 THR N N 34 112.003 106.850 5.153 1
1 346 . 6 1 1 A 35 35 GLY H H 35 8.325 8.728 -0.403 1
1 347 . 6 1 1 A 35 35 GLY HA2 H 35 4.037 4.123 -0.086 1
1 348 . 6 1 1 A 35 35 GLY HA3 H 35 3.961 4.128 -0.167 1
1 349 . 6 1 1 A 35 35 GLY C C 35 174.027 174.003 0.024 1
1 350 . 6 1 1 A 35 35 GLY CA C 35 45.420 45.775 -0.355 1
1 351 . 6 1 1 A 35 35 GLY N N 35 110.924 113.404 -2.480 1
1 352 . 6 1 1 A 36 36 GLU H H 36 8.134 8.142 -0.008 1
1 353 . 6 1 1 A 36 36 GLU HA H 36 4.252 4.944 -0.692 1
1 358 . 6 1 1 A 36 36 GLU C C 36 176.217 175.076 1.141 1
1 359 . 6 1 1 A 36 36 GLU CA C 36 56.529 55.758 0.771 1
1 360 . 6 1 1 A 36 36 GLU CB C 36 30.526 30.412 0.114 1
1 362 . 6 1 1 A 36 36 GLU N N 36 120.646 117.333 3.313 1
1 363 . 6 1 1 A 37 37 LYS H H 37 8.442 8.496 -0.054 1
1 364 . 6 1 1 A 37 37 LYS HA H 37 4.624 5.018 -0.394 1
1 373 . 6 1 1 A 37 37 LYS C C 37 174.470 173.758 0.712 1
1 374 . 6 1 1 A 37 37 LYS CA C 37 54.105 53.913 0.192 1
1 375 . 6 1 1 A 37 37 LYS CB C 37 32.513 35.634 -3.121 1
1 379 . 6 1 1 A 37 37 LYS N N 37 123.934 121.782 2.152 1
1 380 . 6 1 1 A 38 38 PRO HA H 38 4.472 4.685 -0.213 1
1 387 . 6 1 1 A 38 38 PRO C C 38 176.963 175.420 1.543 1
1 388 . 6 1 1 A 38 38 PRO CA C 38 63.242 62.633 0.609 1
1 389 . 6 1 1 A 38 38 PRO CB C 38 32.184 32.908 -0.724 1
1 392 . 6 1 1 A 39 39 SER H H 39 8.479 8.523 -0.044 1
1 393 . 6 1 1 A 39 39 SER HA H 39 4.478 4.763 -0.285 1
1 396 . 6 1 1 A 39 39 SER C C 39 174.643 173.266 1.377 1
1 397 . 6 1 1 A 39 39 SER CA C 39 58.498 56.804 1.694 1
1 398 . 6 1 1 A 39 39 SER CB C 39 63.958 64.036 -0.078 1
1 399 . 6 1 1 A 39 39 SER N N 39 116.485 115.669 0.816 1
1 400 . 6 1 1 A 40 40 GLY H H 40 8.234 8.316 -0.082 1
1 401 . 6 1 1 A 40 40 GLY HA2 H 40 4.173 4.201 -0.028 1
1 402 . 6 1 1 A 40 40 GLY HA3 H 40 4.122 4.201 -0.079 1
1 403 . 6 1 1 A 40 40 GLY C C 40 171.735 173.973 -2.238 1
1 404 . 6 1 1 A 40 40 GLY CA C 40 44.655 44.459 0.196 1
1 405 . 6 1 1 A 40 40 GLY N N 40 110.650 113.721 -3.071 1
1 406 . 6 1 1 A 41 41 PRO HA H 41 4.474 4.414 0.060 1
1 413 . 6 1 1 A 41 41 PRO CA C 41 63.258 64.454 -1.196 1
1 414 . 6 1 1 A 41 41 PRO CB C 41 32.111 31.988 0.123 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.954 4.336 -0.382 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.954 4.340 -0.386 1
1 3 . 7 1 1 A 7 7 GLY C C 7 173.934 173.636 0.298 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.271 44.704 0.567 1
1 5 . 7 1 1 A 8 8 VAL H H 8 7.897 8.403 -0.506 1
1 6 . 7 1 1 A 8 8 VAL HA H 8 4.047 4.348 -0.301 1
1 14 . 7 1 1 A 8 8 VAL C C 8 175.891 175.580 0.311 1
1 15 . 7 1 1 A 8 8 VAL CA C 8 62.520 61.455 1.065 1
1 16 . 7 1 1 A 8 8 VAL CB C 8 32.445 31.665 0.780 1
1 19 . 7 1 1 A 8 8 VAL N N 8 119.114 117.297 1.817 1
1 20 . 7 1 1 A 9 9 LYS H H 9 8.299 7.653 0.646 1
1 21 . 7 1 1 A 9 9 LYS HA H 9 4.522 4.673 -0.151 1
1 28 . 7 1 1 A 9 9 LYS C C 9 173.981 175.817 -1.836 1
1 29 . 7 1 1 A 9 9 LYS CA C 9 53.793 53.477 0.316 1
1 30 . 7 1 1 A 9 9 LYS CB C 9 33.011 32.528 0.483 1
1 34 . 7 1 1 A 9 9 LYS N N 9 125.248 119.156 6.092 1
1 35 . 7 1 1 A 10 10 PRO HA H 10 4.290 4.435 -0.145 1
1 42 . 7 1 1 A 10 10 PRO C C 10 176.364 175.896 0.468 1
1 43 . 7 1 1 A 10 10 PRO CA C 10 63.426 64.424 -0.998 1
1 44 . 7 1 1 A 10 10 PRO CB C 10 32.209 31.600 0.609 1
1 47 . 7 1 1 A 11 11 TYR H H 11 7.981 7.598 0.383 1
1 48 . 7 1 1 A 11 11 TYR HA H 11 4.659 5.171 -0.512 1
1 55 . 7 1 1 A 11 11 TYR C C 11 175.225 174.980 0.245 1
1 56 . 7 1 1 A 11 11 TYR CA C 11 57.195 56.200 0.995 1
1 57 . 7 1 1 A 11 11 TYR CB C 11 38.185 39.694 -1.509 1
1 62 . 7 1 1 A 11 11 TYR N N 11 117.941 117.705 0.236 1
1 63 . 7 1 1 A 12 12 GLY H H 12 8.475 9.016 -0.541 1
1 64 . 7 1 1 A 12 12 GLY HA2 H 12 3.630 4.324 -0.694 1
1 65 . 7 1 1 A 12 12 GLY HA3 H 12 4.709 4.374 0.335 1
1 66 . 7 1 1 A 12 12 GLY C C 12 172.847 173.032 -0.185 1
1 67 . 7 1 1 A 12 12 GLY CA C 12 44.512 44.818 -0.306 1
1 68 . 7 1 1 A 12 12 GLY N N 12 111.547 111.245 0.302 1
1 69 . 7 1 1 A 13 13 CYS H H 13 9.098 8.955 0.143 1
1 70 . 7 1 1 A 13 13 CYS HA H 13 4.701 4.723 -0.022 1
1 73 . 7 1 1 A 13 13 CYS C C 13 177.769 174.575 3.194 1
1 74 . 7 1 1 A 13 13 CYS CA C 13 59.277 59.346 -0.069 1
1 75 . 7 1 1 A 13 13 CYS CB C 13 30.109 28.332 1.777 1
1 76 . 7 1 1 A 13 13 CYS N N 13 124.934 123.518 1.416 1
1 77 . 7 1 1 A 14 14 SER H H 14 9.169 8.963 0.206 1
1 78 . 7 1 1 A 14 14 SER HA H 14 4.273 4.542 -0.269 1
1 81 . 7 1 1 A 14 14 SER C C 14 174.567 176.298 -1.731 1
1 82 . 7 1 1 A 14 14 SER CA C 14 60.801 59.498 1.303 1
1 83 . 7 1 1 A 14 14 SER CB C 14 63.065 64.975 -1.910 1
1 84 . 7 1 1 A 14 14 SER N N 14 127.617 119.865 7.752 1
1 85 . 7 1 1 A 15 15 GLU H H 15 9.031 8.336 0.695 1
1 86 . 7 1 1 A 15 15 GLU HA H 15 4.274 3.971 0.303 1
1 91 . 7 1 1 A 15 15 GLU C C 15 177.149 178.200 -1.051 1
1 92 . 7 1 1 A 15 15 GLU CA C 15 57.715 59.397 -1.682 1
1 93 . 7 1 1 A 15 15 GLU CB C 15 29.512 29.087 0.425 1
1 95 . 7 1 1 A 15 15 GLU N N 15 123.683 121.287 2.396 1
1 96 . 7 1 1 A 16 16 CYS H H 16 8.253 8.049 0.204 1
1 97 . 7 1 1 A 16 16 CYS HA H 16 5.178 4.753 0.425 1
1 100 . 7 1 1 A 16 16 CYS C C 16 176.203 175.459 0.744 1
1 101 . 7 1 1 A 16 16 CYS CA C 16 58.466 59.630 -1.164 1
1 102 . 7 1 1 A 16 16 CYS CB C 16 32.439 30.207 2.232 1
1 103 . 7 1 1 A 16 16 CYS N N 16 116.046 115.051 0.995 1
1 104 . 7 1 1 A 17 17 GLY H H 17 8.087 8.414 -0.327 1
1 105 . 7 1 1 A 17 17 GLY HA2 H 17 3.882 3.987 -0.105 1
1 106 . 7 1 1 A 17 17 GLY HA3 H 17 4.225 3.994 0.231 1
1 107 . 7 1 1 A 17 17 GLY C C 17 174.332 173.893 0.439 1
1 108 . 7 1 1 A 17 17 GLY CA C 17 46.224 46.222 0.002 1
1 109 . 7 1 1 A 17 17 GLY N N 17 112.453 109.657 2.796 1
1 110 . 7 1 1 A 18 18 LYS H H 18 7.998 7.652 0.346 1
1 111 . 7 1 1 A 18 18 LYS HA H 18 4.011 4.732 -0.721 1
1 120 . 7 1 1 A 18 18 LYS C C 18 173.574 174.362 -0.788 1
1 121 . 7 1 1 A 18 18 LYS CA C 18 58.142 54.006 4.136 1
1 122 . 7 1 1 A 18 18 LYS CB C 18 33.979 36.321 -2.342 1
1 126 . 7 1 1 A 18 18 LYS N N 18 123.407 118.698 4.709 1
1 127 . 7 1 1 A 19 19 ALA H H 19 7.768 8.184 -0.416 1
1 128 . 7 1 1 A 19 19 ALA HA H 19 5.057 5.075 -0.018 1
1 132 . 7 1 1 A 19 19 ALA C C 19 176.149 174.796 1.353 1
1 133 . 7 1 1 A 19 19 ALA CA C 19 50.649 50.081 0.568 1
1 134 . 7 1 1 A 19 19 ALA CB C 19 22.135 23.940 -1.805 1
1 135 . 7 1 1 A 19 19 ALA N N 19 122.869 120.561 2.308 1
1 136 . 7 1 1 A 20 20 PHE H H 20 8.400 8.510 -0.110 1
1 137 . 7 1 1 A 20 20 PHE HA H 20 4.787 4.920 -0.133 1
1 145 . 7 1 1 A 20 20 PHE C C 20 175.996 175.691 0.305 1
1 146 . 7 1 1 A 20 20 PHE CA C 20 57.402 56.386 1.016 1
1 147 . 7 1 1 A 20 20 PHE CB C 20 44.177 42.891 1.286 1
1 153 . 7 1 1 A 20 20 PHE N N 20 116.260 115.177 1.083 1
1 154 . 7 1 1 A 21 21 ARG H H 21 9.316 8.890 0.426 1
1 155 . 7 1 1 A 21 21 ARG HA H 21 4.478 4.231 0.247 1
1 162 . 7 1 1 A 21 21 ARG C C 21 175.389 175.637 -0.248 1
1 163 . 7 1 1 A 21 21 ARG CA C 21 57.837 58.800 -0.963 1
1 164 . 7 1 1 A 21 21 ARG CB C 21 31.184 30.771 0.413 1
1 167 . 7 1 1 A 21 21 ARG N N 21 119.000 126.405 -7.405 1
1 168 . 7 1 1 A 22 22 SER H H 22 7.474 8.101 -0.627 1
1 169 . 7 1 1 A 22 22 SER HA H 22 4.696 5.035 -0.339 1
1 172 . 7 1 1 A 22 22 SER C C 22 173.464 173.665 -0.201 1
1 173 . 7 1 1 A 22 22 SER CA C 22 55.901 57.546 -1.645 1
1 174 . 7 1 1 A 22 22 SER CB C 22 66.117 66.811 -0.694 1
1 175 . 7 1 1 A 22 22 SER N N 22 109.845 111.959 -2.114 1
1 176 . 7 1 1 A 23 23 LYS H H 23 8.388 8.990 -0.602 1
1 177 . 7 1 1 A 23 23 LYS HA H 23 3.324 3.472 -0.148 1
1 186 . 7 1 1 A 23 23 LYS C C 23 178.109 178.398 -0.289 1
1 187 . 7 1 1 A 23 23 LYS CA C 23 58.994 59.309 -0.315 1
1 188 . 7 1 1 A 23 23 LYS CB C 23 31.895 32.212 -0.317 1
1 192 . 7 1 1 A 23 23 LYS N N 23 125.361 124.145 1.216 1
1 193 . 7 1 1 A 24 24 SER H H 24 8.217 8.303 -0.086 1
1 194 . 7 1 1 A 24 24 SER HA H 24 3.980 4.113 -0.133 1
1 197 . 7 1 1 A 24 24 SER C C 24 176.910 176.796 0.114 1
1 198 . 7 1 1 A 24 24 SER CA C 24 61.457 61.609 -0.152 1
1 199 . 7 1 1 A 24 24 SER CB C 24 61.986 62.540 -0.554 1
1 200 . 7 1 1 A 24 24 SER N N 24 113.056 114.329 -1.273 1
1 201 . 7 1 1 A 25 25 TYR H H 25 7.270 8.192 -0.922 1
1 202 . 7 1 1 A 25 25 TYR HA H 25 4.258 4.432 -0.174 1
1 209 . 7 1 1 A 25 25 TYR C C 25 178.363 177.935 0.428 1
1 210 . 7 1 1 A 25 25 TYR CA C 25 59.989 60.889 -0.900 1
1 211 . 7 1 1 A 25 25 TYR CB C 25 37.656 38.165 -0.509 1
1 216 . 7 1 1 A 25 25 TYR N N 25 119.562 119.441 0.121 1
1 217 . 7 1 1 A 26 26 LEU H H 26 7.354 8.165 -0.811 1
1 218 . 7 1 1 A 26 26 LEU HA H 26 3.466 1.859 1.607 1
1 228 . 7 1 1 A 26 26 LEU C C 26 177.513 178.310 -0.797 1
1 229 . 7 1 1 A 26 26 LEU CA C 26 58.142 57.446 0.696 1
1 230 . 7 1 1 A 26 26 LEU CB C 26 40.723 41.154 -0.431 1
1 234 . 7 1 1 A 26 26 LEU N N 26 122.537 120.721 1.816 1
1 235 . 7 1 1 A 27 27 ILE H H 27 8.244 7.700 0.544 1
1 236 . 7 1 1 A 27 27 ILE HA H 27 3.594 3.489 0.105 1
1 246 . 7 1 1 A 27 27 ILE C C 27 179.045 178.033 1.012 1
1 247 . 7 1 1 A 27 27 ILE CA C 27 65.264 65.296 -0.032 1
1 248 . 7 1 1 A 27 27 ILE CB C 27 37.650 37.763 -0.113 1
1 252 . 7 1 1 A 27 27 ILE N N 27 120.012 119.457 0.555 1
1 253 . 7 1 1 A 28 28 ILE H H 28 7.350 8.058 -0.708 1
1 254 . 7 1 1 A 28 28 ILE HA H 28 3.541 3.826 -0.285 1
1 264 . 7 1 1 A 28 28 ILE C C 28 179.008 178.120 0.888 1
1 265 . 7 1 1 A 28 28 ILE CA C 28 65.093 64.484 0.609 1
1 266 . 7 1 1 A 28 28 ILE CB C 28 38.473 37.843 0.630 1
1 270 . 7 1 1 A 28 28 ILE N N 28 119.450 119.888 -0.438 1
1 271 . 7 1 1 A 29 29 HIS H H 29 7.774 8.269 -0.495 1
1 272 . 7 1 1 A 29 29 HIS HA H 29 4.210 4.445 -0.235 1
1 277 . 7 1 1 A 29 29 HIS C C 29 178.135 177.037 1.098 1
1 278 . 7 1 1 A 29 29 HIS CA C 29 59.320 58.645 0.675 1
1 279 . 7 1 1 A 29 29 HIS CB C 29 28.240 30.790 -2.550 1
1 282 . 7 1 1 A 29 29 HIS N N 29 119.901 122.190 -2.289 1
1 283 . 7 1 1 A 30 30 MET H H 30 8.859 8.552 0.307 1
1 284 . 7 1 1 A 30 30 MET HA H 30 4.061 3.840 0.221 1
1 292 . 7 1 1 A 30 30 MET C C 30 178.435 178.156 0.279 1
1 293 . 7 1 1 A 30 30 MET CA C 30 58.334 59.032 -0.698 1
1 294 . 7 1 1 A 30 30 MET CB C 30 30.760 32.412 -1.652 1
1 297 . 7 1 1 A 30 30 MET N N 30 119.643 116.888 2.755 1
1 298 . 7 1 1 A 31 31 ARG H H 31 7.334 8.048 -0.714 1
1 299 . 7 1 1 A 31 31 ARG HA H 31 4.214 4.059 0.155 1
1 306 . 7 1 1 A 31 31 ARG C C 31 178.442 178.191 0.251 1
1 307 . 7 1 1 A 31 31 ARG CA C 31 58.742 58.549 0.193 1
1 308 . 7 1 1 A 31 31 ARG CB C 31 29.921 30.188 -0.267 1
1 311 . 7 1 1 A 31 31 ARG N N 31 117.860 117.868 -0.008 1
1 312 . 7 1 1 A 32 32 THR H H 32 7.892 7.838 0.054 1
1 313 . 7 1 1 A 32 32 THR HA H 32 4.129 3.995 0.134 1
1 318 . 7 1 1 A 32 32 THR C C 32 175.441 176.891 -1.450 1
1 319 . 7 1 1 A 32 32 THR CA C 32 63.963 65.398 -1.435 1
1 320 . 7 1 1 A 32 32 THR CB C 32 69.388 68.541 0.847 1
1 322 . 7 1 1 A 32 32 THR N N 32 109.787 115.151 -5.364 1
1 323 . 7 1 1 A 33 33 HIS H H 33 7.270 7.458 -0.188 1
1 324 . 7 1 1 A 33 33 HIS HA H 33 4.921 4.315 0.606 1
1 329 . 7 1 1 A 33 33 HIS C C 33 175.596 175.414 0.182 1
1 330 . 7 1 1 A 33 33 HIS CA C 33 55.469 58.995 -3.526 1
1 331 . 7 1 1 A 33 33 HIS CB C 33 28.877 29.924 -1.047 1
1 334 . 7 1 1 A 33 33 HIS N N 33 118.636 116.721 1.915 1
1 335 . 7 1 1 A 34 34 THR H H 34 7.842 8.234 -0.392 1
1 336 . 7 1 1 A 34 34 THR HA H 34 4.377 4.657 -0.280 1
1 341 . 7 1 1 A 34 34 THR C C 34 175.388 173.525 1.863 1
1 342 . 7 1 1 A 34 34 THR CA C 34 62.369 59.785 2.584 1
1 343 . 7 1 1 A 34 34 THR CB C 34 69.883 70.438 -0.555 1
1 345 . 7 1 1 A 34 34 THR N N 34 112.003 111.322 0.681 1
1 346 . 7 1 1 A 35 35 GLY H H 35 8.325 8.422 -0.097 1
1 347 . 7 1 1 A 35 35 GLY HA2 H 35 4.037 4.009 0.028 1
1 348 . 7 1 1 A 35 35 GLY HA3 H 35 3.961 4.014 -0.053 1
1 349 . 7 1 1 A 35 35 GLY C C 35 174.027 173.503 0.524 1
1 350 . 7 1 1 A 35 35 GLY CA C 35 45.420 45.957 -0.537 1
1 351 . 7 1 1 A 35 35 GLY N N 35 110.924 114.486 -3.562 1
1 352 . 7 1 1 A 36 36 GLU H H 36 8.134 8.115 0.019 1
1 353 . 7 1 1 A 36 36 GLU HA H 36 4.252 4.957 -0.705 1
1 358 . 7 1 1 A 36 36 GLU C C 36 176.217 174.396 1.821 1
1 359 . 7 1 1 A 36 36 GLU CA C 36 56.529 54.945 1.584 1
1 360 . 7 1 1 A 36 36 GLU CB C 36 30.526 33.221 -2.695 1
1 362 . 7 1 1 A 36 36 GLU N N 36 120.646 119.808 0.838 1
1 363 . 7 1 1 A 37 37 LYS H H 37 8.442 8.565 -0.123 1
1 364 . 7 1 1 A 37 37 LYS HA H 37 4.624 4.772 -0.148 1
1 373 . 7 1 1 A 37 37 LYS C C 37 174.470 176.414 -1.944 1
1 374 . 7 1 1 A 37 37 LYS CA C 37 54.105 53.191 0.914 1
1 375 . 7 1 1 A 37 37 LYS CB C 37 32.513 33.700 -1.187 1
1 379 . 7 1 1 A 37 37 LYS N N 37 123.934 125.503 -1.569 1
1 380 . 7 1 1 A 38 38 PRO HA H 38 4.472 4.540 -0.068 1
1 387 . 7 1 1 A 38 38 PRO C C 38 176.963 176.486 0.477 1
1 388 . 7 1 1 A 38 38 PRO CA C 38 63.242 63.697 -0.455 1
1 389 . 7 1 1 A 38 38 PRO CB C 38 32.184 32.212 -0.028 1
1 392 . 7 1 1 A 39 39 SER H H 39 8.479 7.662 0.817 1
1 393 . 7 1 1 A 39 39 SER HA H 39 4.478 4.131 0.347 1
1 396 . 7 1 1 A 39 39 SER C C 39 174.643 175.284 -0.641 1
1 397 . 7 1 1 A 39 39 SER CA C 39 58.498 60.212 -1.714 1
1 398 . 7 1 1 A 39 39 SER CB C 39 63.958 62.928 1.030 1
1 399 . 7 1 1 A 39 39 SER N N 39 116.485 116.262 0.223 1
1 400 . 7 1 1 A 40 40 GLY H H 40 8.234 8.862 -0.628 1
1 401 . 7 1 1 A 40 40 GLY HA2 H 40 4.173 4.023 0.150 1
1 402 . 7 1 1 A 40 40 GLY HA3 H 40 4.122 4.023 0.099 1
1 403 . 7 1 1 A 40 40 GLY C C 40 171.735 173.862 -2.127 1
1 404 . 7 1 1 A 40 40 GLY CA C 40 44.655 45.546 -0.891 1
1 405 . 7 1 1 A 40 40 GLY N N 40 110.650 115.031 -4.381 1
1 406 . 7 1 1 A 41 41 PRO HA H 41 4.474 4.624 -0.150 1
1 413 . 7 1 1 A 41 41 PRO CA C 41 63.258 62.590 0.668 1
1 414 . 7 1 1 A 41 41 PRO CB C 41 32.111 31.908 0.203 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.954 3.988 -0.034 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.954 3.996 -0.042 1
1 3 . 8 1 1 A 7 7 GLY C C 7 173.934 175.099 -1.165 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.271 45.407 -0.136 1
1 5 . 8 1 1 A 8 8 VAL H H 8 7.897 8.063 -0.166 1
1 6 . 8 1 1 A 8 8 VAL HA H 8 4.047 3.674 0.373 1
1 14 . 8 1 1 A 8 8 VAL C C 8 175.891 175.042 0.849 1
1 15 . 8 1 1 A 8 8 VAL CA C 8 62.520 62.923 -0.403 1
1 16 . 8 1 1 A 8 8 VAL CB C 8 32.445 29.527 2.918 1
1 19 . 8 1 1 A 8 8 VAL N N 8 119.114 117.271 1.843 1
1 20 . 8 1 1 A 9 9 LYS H H 9 8.299 8.032 0.267 1
1 21 . 8 1 1 A 9 9 LYS HA H 9 4.522 4.396 0.126 1
1 28 . 8 1 1 A 9 9 LYS C C 9 173.981 176.379 -2.398 1
1 29 . 8 1 1 A 9 9 LYS CA C 9 53.793 54.433 -0.640 1
1 30 . 8 1 1 A 9 9 LYS CB C 9 33.011 31.919 1.092 1
1 34 . 8 1 1 A 9 9 LYS N N 9 125.248 121.761 3.487 1
1 35 . 8 1 1 A 10 10 PRO HA H 10 4.290 4.274 0.016 1
1 42 . 8 1 1 A 10 10 PRO C C 10 176.364 175.869 0.495 1
1 43 . 8 1 1 A 10 10 PRO CA C 10 63.426 64.693 -1.267 1
1 44 . 8 1 1 A 10 10 PRO CB C 10 32.209 31.838 0.371 1
1 47 . 8 1 1 A 11 11 TYR H H 11 7.981 7.793 0.188 1
1 48 . 8 1 1 A 11 11 TYR HA H 11 4.659 5.021 -0.362 1
1 55 . 8 1 1 A 11 11 TYR C C 11 175.225 174.877 0.348 1
1 56 . 8 1 1 A 11 11 TYR CA C 11 57.195 56.258 0.937 1
1 57 . 8 1 1 A 11 11 TYR CB C 11 38.185 39.515 -1.330 1
1 62 . 8 1 1 A 11 11 TYR N N 11 117.941 117.786 0.155 1
1 63 . 8 1 1 A 12 12 GLY H H 12 8.475 9.074 -0.599 1
1 64 . 8 1 1 A 12 12 GLY HA2 H 12 3.630 4.308 -0.678 1
1 65 . 8 1 1 A 12 12 GLY HA3 H 12 4.709 4.361 0.348 1
1 66 . 8 1 1 A 12 12 GLY C C 12 172.847 172.803 0.044 1
1 67 . 8 1 1 A 12 12 GLY CA C 12 44.512 44.871 -0.359 1
1 68 . 8 1 1 A 12 12 GLY N N 12 111.547 111.656 -0.109 1
1 69 . 8 1 1 A 13 13 CYS H H 13 9.098 8.890 0.208 1
1 70 . 8 1 1 A 13 13 CYS HA H 13 4.701 4.672 0.029 1
1 73 . 8 1 1 A 13 13 CYS C C 13 177.769 175.419 2.350 1
1 74 . 8 1 1 A 13 13 CYS CA C 13 59.277 59.797 -0.520 1
1 75 . 8 1 1 A 13 13 CYS CB C 13 30.109 28.928 1.181 1
1 76 . 8 1 1 A 13 13 CYS N N 13 124.934 125.251 -0.317 1
1 77 . 8 1 1 A 14 14 SER H H 14 9.169 9.128 0.041 1
1 78 . 8 1 1 A 14 14 SER HA H 14 4.273 4.367 -0.094 1
1 81 . 8 1 1 A 14 14 SER C C 14 174.567 176.569 -2.002 1
1 82 . 8 1 1 A 14 14 SER CA C 14 60.801 61.304 -0.503 1
1 83 . 8 1 1 A 14 14 SER CB C 14 63.065 63.532 -0.467 1
1 84 . 8 1 1 A 14 14 SER N N 14 127.617 121.864 5.753 1
1 85 . 8 1 1 A 15 15 GLU H H 15 9.031 8.255 0.776 1
1 86 . 8 1 1 A 15 15 GLU HA H 15 4.274 3.945 0.329 1
1 91 . 8 1 1 A 15 15 GLU C C 15 177.149 178.032 -0.883 1
1 92 . 8 1 1 A 15 15 GLU CA C 15 57.715 59.517 -1.802 1
1 93 . 8 1 1 A 15 15 GLU CB C 15 29.512 29.060 0.452 1
1 95 . 8 1 1 A 15 15 GLU N N 15 123.683 121.103 2.580 1
1 96 . 8 1 1 A 16 16 CYS H H 16 8.253 8.053 0.200 1
1 97 . 8 1 1 A 16 16 CYS HA H 16 5.178 4.687 0.491 1
1 100 . 8 1 1 A 16 16 CYS C C 16 176.203 175.337 0.866 1
1 101 . 8 1 1 A 16 16 CYS CA C 16 58.466 59.675 -1.209 1
1 102 . 8 1 1 A 16 16 CYS CB C 16 32.439 29.789 2.650 1
1 103 . 8 1 1 A 16 16 CYS N N 16 116.046 115.028 1.018 1
1 104 . 8 1 1 A 17 17 GLY H H 17 8.087 8.338 -0.251 1
1 105 . 8 1 1 A 17 17 GLY HA2 H 17 3.882 4.029 -0.147 1
1 106 . 8 1 1 A 17 17 GLY HA3 H 17 4.225 4.042 0.183 1
1 107 . 8 1 1 A 17 17 GLY C C 17 174.332 174.092 0.240 1
1 108 . 8 1 1 A 17 17 GLY CA C 17 46.224 46.135 0.089 1
1 109 . 8 1 1 A 17 17 GLY N N 17 112.453 110.205 2.248 1
1 110 . 8 1 1 A 18 18 LYS H H 18 7.998 7.471 0.527 1
1 111 . 8 1 1 A 18 18 LYS HA H 18 4.011 4.753 -0.742 1
1 120 . 8 1 1 A 18 18 LYS C C 18 173.574 174.713 -1.139 1
1 121 . 8 1 1 A 18 18 LYS CA C 18 58.142 54.217 3.925 1
1 122 . 8 1 1 A 18 18 LYS CB C 18 33.979 35.498 -1.519 1
1 126 . 8 1 1 A 18 18 LYS N N 18 123.407 118.701 4.706 1
1 127 . 8 1 1 A 19 19 ALA H H 19 7.768 8.151 -0.383 1
1 128 . 8 1 1 A 19 19 ALA HA H 19 5.057 5.280 -0.223 1
1 132 . 8 1 1 A 19 19 ALA C C 19 176.149 175.105 1.044 1
1 133 . 8 1 1 A 19 19 ALA CA C 19 50.649 51.012 -0.363 1
1 134 . 8 1 1 A 19 19 ALA CB C 19 22.135 22.527 -0.392 1
1 135 . 8 1 1 A 19 19 ALA N N 19 122.869 120.961 1.908 1
1 136 . 8 1 1 A 20 20 PHE H H 20 8.400 9.358 -0.958 1
1 137 . 8 1 1 A 20 20 PHE HA H 20 4.787 5.028 -0.241 1
1 145 . 8 1 1 A 20 20 PHE C C 20 175.996 176.004 -0.008 1
1 146 . 8 1 1 A 20 20 PHE CA C 20 57.402 56.238 1.164 1
1 147 . 8 1 1 A 20 20 PHE CB C 20 44.177 40.324 3.853 1
1 153 . 8 1 1 A 20 20 PHE N N 20 116.260 120.243 -3.983 1
1 154 . 8 1 1 A 21 21 ARG H H 21 9.316 8.767 0.549 1
1 155 . 8 1 1 A 21 21 ARG HA H 21 4.478 4.023 0.455 1
1 162 . 8 1 1 A 21 21 ARG C C 21 175.389 175.637 -0.248 1
1 163 . 8 1 1 A 21 21 ARG CA C 21 57.837 59.352 -1.515 1
1 164 . 8 1 1 A 21 21 ARG CB C 21 31.184 30.342 0.842 1
1 167 . 8 1 1 A 21 21 ARG N N 21 119.000 127.174 -8.174 1
1 168 . 8 1 1 A 22 22 SER H H 22 7.474 8.075 -0.601 1
1 169 . 8 1 1 A 22 22 SER HA H 22 4.696 4.900 -0.204 1
1 172 . 8 1 1 A 22 22 SER C C 22 173.464 175.115 -1.651 1
1 173 . 8 1 1 A 22 22 SER CA C 22 55.901 57.664 -1.763 1
1 174 . 8 1 1 A 22 22 SER CB C 22 66.117 65.593 0.524 1
1 175 . 8 1 1 A 22 22 SER N N 22 109.845 112.031 -2.186 1
1 176 . 8 1 1 A 23 23 LYS H H 23 8.388 8.590 -0.202 1
1 177 . 8 1 1 A 23 23 LYS HA H 23 3.324 3.081 0.243 1
1 186 . 8 1 1 A 23 23 LYS C C 23 178.109 178.270 -0.161 1
1 187 . 8 1 1 A 23 23 LYS CA C 23 58.994 58.575 0.419 1
1 188 . 8 1 1 A 23 23 LYS CB C 23 31.895 31.756 0.139 1
1 192 . 8 1 1 A 23 23 LYS N N 23 125.361 123.267 2.094 1
1 193 . 8 1 1 A 24 24 SER H H 24 8.217 7.918 0.299 1
1 194 . 8 1 1 A 24 24 SER HA H 24 3.980 4.052 -0.072 1
1 197 . 8 1 1 A 24 24 SER C C 24 176.910 176.718 0.192 1
1 198 . 8 1 1 A 24 24 SER CA C 24 61.457 61.336 0.121 1
1 199 . 8 1 1 A 24 24 SER CB C 24 61.986 63.105 -1.119 1
1 200 . 8 1 1 A 24 24 SER N N 24 113.056 114.612 -1.556 1
1 201 . 8 1 1 A 25 25 TYR H H 25 7.270 8.248 -0.978 1
1 202 . 8 1 1 A 25 25 TYR HA H 25 4.258 4.340 -0.082 1
1 209 . 8 1 1 A 25 25 TYR C C 25 178.363 177.679 0.684 1
1 210 . 8 1 1 A 25 25 TYR CA C 25 59.989 60.702 -0.713 1
1 211 . 8 1 1 A 25 25 TYR CB C 25 37.656 37.879 -0.223 1
1 216 . 8 1 1 A 25 25 TYR N N 25 119.562 119.129 0.433 1
1 217 . 8 1 1 A 26 26 LEU H H 26 7.354 7.669 -0.315 1
1 218 . 8 1 1 A 26 26 LEU HA H 26 3.466 2.458 1.008 1
1 228 . 8 1 1 A 26 26 LEU C C 26 177.513 178.258 -0.745 1
1 229 . 8 1 1 A 26 26 LEU CA C 26 58.142 57.804 0.338 1
1 230 . 8 1 1 A 26 26 LEU CB C 26 40.723 41.522 -0.799 1
1 234 . 8 1 1 A 26 26 LEU N N 26 122.537 120.585 1.952 1
1 235 . 8 1 1 A 27 27 ILE H H 27 8.244 7.661 0.583 1
1 236 . 8 1 1 A 27 27 ILE HA H 27 3.594 3.518 0.076 1
1 246 . 8 1 1 A 27 27 ILE C C 27 179.045 177.896 1.149 1
1 247 . 8 1 1 A 27 27 ILE CA C 27 65.264 65.139 0.125 1
1 248 . 8 1 1 A 27 27 ILE CB C 27 37.650 37.692 -0.042 1
1 252 . 8 1 1 A 27 27 ILE N N 27 120.012 119.264 0.748 1
1 253 . 8 1 1 A 28 28 ILE H H 28 7.350 7.795 -0.445 1
1 254 . 8 1 1 A 28 28 ILE HA H 28 3.541 3.739 -0.198 1
1 264 . 8 1 1 A 28 28 ILE C C 28 179.008 178.303 0.705 1
1 265 . 8 1 1 A 28 28 ILE CA C 28 65.093 64.785 0.308 1
1 266 . 8 1 1 A 28 28 ILE CB C 28 38.473 37.805 0.668 1
1 270 . 8 1 1 A 28 28 ILE N N 28 119.450 119.805 -0.355 1
1 271 . 8 1 1 A 29 29 HIS H H 29 7.774 8.169 -0.395 1
1 272 . 8 1 1 A 29 29 HIS HA H 29 4.210 4.298 -0.088 1
1 277 . 8 1 1 A 29 29 HIS C C 29 178.135 176.978 1.157 1
1 278 . 8 1 1 A 29 29 HIS CA C 29 59.320 58.870 0.450 1
1 279 . 8 1 1 A 29 29 HIS CB C 29 28.240 30.231 -1.991 1
1 282 . 8 1 1 A 29 29 HIS N N 29 119.901 122.029 -2.128 1
1 283 . 8 1 1 A 30 30 MET H H 30 8.859 8.440 0.419 1
1 284 . 8 1 1 A 30 30 MET HA H 30 4.061 3.752 0.309 1
1 292 . 8 1 1 A 30 30 MET C C 30 178.435 178.059 0.376 1
1 293 . 8 1 1 A 30 30 MET CA C 30 58.334 58.732 -0.398 1
1 294 . 8 1 1 A 30 30 MET CB C 30 30.760 31.811 -1.051 1
1 297 . 8 1 1 A 30 30 MET N N 30 119.643 116.637 3.006 1
1 298 . 8 1 1 A 31 31 ARG H H 31 7.334 8.201 -0.867 1
1 299 . 8 1 1 A 31 31 ARG HA H 31 4.214 4.079 0.135 1
1 306 . 8 1 1 A 31 31 ARG C C 31 178.442 177.507 0.935 1
1 307 . 8 1 1 A 31 31 ARG CA C 31 58.742 58.555 0.187 1
1 308 . 8 1 1 A 31 31 ARG CB C 31 29.921 30.085 -0.164 1
1 311 . 8 1 1 A 31 31 ARG N N 31 117.860 118.025 -0.165 1
1 312 . 8 1 1 A 32 32 THR H H 32 7.892 8.256 -0.364 1
1 313 . 8 1 1 A 32 32 THR HA H 32 4.129 4.068 0.061 1
1 318 . 8 1 1 A 32 32 THR C C 32 175.441 176.900 -1.459 1
1 319 . 8 1 1 A 32 32 THR CA C 32 63.963 64.851 -0.888 1
1 320 . 8 1 1 A 32 32 THR CB C 32 69.388 68.382 1.006 1
1 322 . 8 1 1 A 32 32 THR N N 32 109.787 111.338 -1.551 1
1 323 . 8 1 1 A 33 33 HIS H H 33 7.270 7.580 -0.310 1
1 324 . 8 1 1 A 33 33 HIS HA H 33 4.921 4.305 0.616 1
1 329 . 8 1 1 A 33 33 HIS C C 33 175.596 175.338 0.258 1
1 330 . 8 1 1 A 33 33 HIS CA C 33 55.469 59.017 -3.548 1
1 331 . 8 1 1 A 33 33 HIS CB C 33 28.877 30.374 -1.497 1
1 334 . 8 1 1 A 33 33 HIS N N 33 118.636 118.875 -0.239 1
1 335 . 8 1 1 A 34 34 THR H H 34 7.842 7.853 -0.011 1
1 336 . 8 1 1 A 34 34 THR HA H 34 4.377 4.652 -0.275 1
1 341 . 8 1 1 A 34 34 THR C C 34 175.388 173.483 1.905 1
1 342 . 8 1 1 A 34 34 THR CA C 34 62.369 59.538 2.831 1
1 343 . 8 1 1 A 34 34 THR CB C 34 69.883 72.295 -2.412 1
1 345 . 8 1 1 A 34 34 THR N N 34 112.003 110.471 1.532 1
1 346 . 8 1 1 A 35 35 GLY H H 35 8.325 8.263 0.062 1
1 347 . 8 1 1 A 35 35 GLY HA2 H 35 4.037 4.215 -0.178 1
1 348 . 8 1 1 A 35 35 GLY HA3 H 35 3.961 4.216 -0.255 1
1 349 . 8 1 1 A 35 35 GLY C C 35 174.027 172.111 1.916 1
1 350 . 8 1 1 A 35 35 GLY CA C 35 45.420 46.212 -0.792 1
1 351 . 8 1 1 A 35 35 GLY N N 35 110.924 113.382 -2.458 1
1 352 . 8 1 1 A 36 36 GLU H H 36 8.134 8.494 -0.360 1
1 353 . 8 1 1 A 36 36 GLU HA H 36 4.252 4.753 -0.501 1
1 358 . 8 1 1 A 36 36 GLU C C 36 176.217 175.098 1.119 1
1 359 . 8 1 1 A 36 36 GLU CA C 36 56.529 55.545 0.984 1
1 360 . 8 1 1 A 36 36 GLU CB C 36 30.526 30.326 0.200 1
1 362 . 8 1 1 A 36 36 GLU N N 36 120.646 124.408 -3.762 1
1 363 . 8 1 1 A 37 37 LYS H H 37 8.442 8.263 0.179 1
1 364 . 8 1 1 A 37 37 LYS HA H 37 4.624 4.864 -0.240 1
1 373 . 8 1 1 A 37 37 LYS C C 37 174.470 173.889 0.581 1
1 374 . 8 1 1 A 37 37 LYS CA C 37 54.105 53.634 0.471 1
1 375 . 8 1 1 A 37 37 LYS CB C 37 32.513 33.184 -0.671 1
1 379 . 8 1 1 A 37 37 LYS N N 37 123.934 124.816 -0.882 1
1 380 . 8 1 1 A 38 38 PRO HA H 38 4.472 4.739 -0.267 1
1 387 . 8 1 1 A 38 38 PRO C C 38 176.963 176.033 0.930 1
1 388 . 8 1 1 A 38 38 PRO CA C 38 63.242 62.526 0.716 1
1 389 . 8 1 1 A 38 38 PRO CB C 38 32.184 29.413 2.771 1
1 392 . 8 1 1 A 39 39 SER H H 39 8.479 8.276 0.203 1
1 393 . 8 1 1 A 39 39 SER HA H 39 4.478 4.884 -0.406 1
1 396 . 8 1 1 A 39 39 SER C C 39 174.643 174.426 0.217 1
1 397 . 8 1 1 A 39 39 SER CA C 39 58.498 58.044 0.454 1
1 398 . 8 1 1 A 39 39 SER CB C 39 63.958 66.542 -2.584 1
1 399 . 8 1 1 A 39 39 SER N N 39 116.485 119.138 -2.653 1
1 400 . 8 1 1 A 40 40 GLY H H 40 8.234 8.758 -0.524 1
1 401 . 8 1 1 A 40 40 GLY HA2 H 40 4.173 4.103 0.070 1
1 402 . 8 1 1 A 40 40 GLY HA3 H 40 4.122 4.103 0.019 1
1 403 . 8 1 1 A 40 40 GLY C C 40 171.735 172.947 -1.212 1
1 404 . 8 1 1 A 40 40 GLY CA C 40 44.655 44.235 0.420 1
1 405 . 8 1 1 A 40 40 GLY N N 40 110.650 111.422 -0.772 1
1 406 . 8 1 1 A 41 41 PRO HA H 41 4.474 4.615 -0.141 1
1 413 . 8 1 1 A 41 41 PRO CA C 41 63.258 62.875 0.383 1
1 414 . 8 1 1 A 41 41 PRO CB C 41 32.111 32.718 -0.607 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.954 4.165 -0.211 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.954 4.166 -0.212 1
1 3 . 9 1 1 A 7 7 GLY C C 7 173.934 172.711 1.223 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.271 43.971 1.300 1
1 5 . 9 1 1 A 8 8 VAL H H 8 7.897 8.171 -0.274 1
1 6 . 9 1 1 A 8 8 VAL HA H 8 4.047 4.688 -0.641 1
1 14 . 9 1 1 A 8 8 VAL C C 8 175.891 175.290 0.601 1
1 15 . 9 1 1 A 8 8 VAL CA C 8 62.520 61.217 1.303 1
1 16 . 9 1 1 A 8 8 VAL CB C 8 32.445 32.770 -0.325 1
1 19 . 9 1 1 A 8 8 VAL N N 8 119.114 119.405 -0.291 1
1 20 . 9 1 1 A 9 9 LYS H H 9 8.299 8.515 -0.216 1
1 21 . 9 1 1 A 9 9 LYS HA H 9 4.522 4.489 0.033 1
1 28 . 9 1 1 A 9 9 LYS C C 9 173.981 176.505 -2.524 1
1 29 . 9 1 1 A 9 9 LYS CA C 9 53.793 54.401 -0.608 1
1 30 . 9 1 1 A 9 9 LYS CB C 9 33.011 31.966 1.045 1
1 34 . 9 1 1 A 9 9 LYS N N 9 125.248 127.687 -2.439 1
1 35 . 9 1 1 A 10 10 PRO HA H 10 4.290 4.245 0.045 1
1 42 . 9 1 1 A 10 10 PRO C C 10 176.364 175.899 0.465 1
1 43 . 9 1 1 A 10 10 PRO CA C 10 63.426 64.709 -1.283 1
1 44 . 9 1 1 A 10 10 PRO CB C 10 32.209 31.710 0.499 1
1 47 . 9 1 1 A 11 11 TYR H H 11 7.981 7.715 0.266 1
1 48 . 9 1 1 A 11 11 TYR HA H 11 4.659 4.992 -0.333 1
1 55 . 9 1 1 A 11 11 TYR C C 11 175.225 175.004 0.221 1
1 56 . 9 1 1 A 11 11 TYR CA C 11 57.195 56.294 0.901 1
1 57 . 9 1 1 A 11 11 TYR CB C 11 38.185 39.116 -0.931 1
1 62 . 9 1 1 A 11 11 TYR N N 11 117.941 117.661 0.280 1
1 63 . 9 1 1 A 12 12 GLY H H 12 8.475 8.998 -0.523 1
1 64 . 9 1 1 A 12 12 GLY HA2 H 12 3.630 4.350 -0.720 1
1 65 . 9 1 1 A 12 12 GLY HA3 H 12 4.709 4.499 0.210 1
1 66 . 9 1 1 A 12 12 GLY C C 12 172.847 172.734 0.113 1
1 67 . 9 1 1 A 12 12 GLY CA C 12 44.512 44.895 -0.383 1
1 68 . 9 1 1 A 12 12 GLY N N 12 111.547 111.185 0.362 1
1 69 . 9 1 1 A 13 13 CYS H H 13 9.098 9.352 -0.254 1
1 70 . 9 1 1 A 13 13 CYS HA H 13 4.701 4.609 0.092 1
1 73 . 9 1 1 A 13 13 CYS C C 13 177.769 175.850 1.919 1
1 74 . 9 1 1 A 13 13 CYS CA C 13 59.277 59.496 -0.219 1
1 75 . 9 1 1 A 13 13 CYS CB C 13 30.109 28.557 1.552 1
1 76 . 9 1 1 A 13 13 CYS N N 13 124.934 124.217 0.717 1
1 77 . 9 1 1 A 14 14 SER H H 14 9.169 8.634 0.535 1
1 78 . 9 1 1 A 14 14 SER HA H 14 4.273 4.411 -0.138 1
1 81 . 9 1 1 A 14 14 SER C C 14 174.567 176.131 -1.564 1
1 82 . 9 1 1 A 14 14 SER CA C 14 60.801 59.330 1.471 1
1 83 . 9 1 1 A 14 14 SER CB C 14 63.065 64.257 -1.192 1
1 84 . 9 1 1 A 14 14 SER N N 14 127.617 120.795 6.822 1
1 85 . 9 1 1 A 15 15 GLU H H 15 9.031 8.269 0.762 1
1 86 . 9 1 1 A 15 15 GLU HA H 15 4.274 3.887 0.387 1
1 91 . 9 1 1 A 15 15 GLU C C 15 177.149 178.138 -0.989 1
1 92 . 9 1 1 A 15 15 GLU CA C 15 57.715 59.453 -1.738 1
1 93 . 9 1 1 A 15 15 GLU CB C 15 29.512 28.672 0.840 1
1 95 . 9 1 1 A 15 15 GLU N N 15 123.683 121.624 2.059 1
1 96 . 9 1 1 A 16 16 CYS H H 16 8.253 8.025 0.228 1
1 97 . 9 1 1 A 16 16 CYS HA H 16 5.178 4.731 0.447 1
1 100 . 9 1 1 A 16 16 CYS C C 16 176.203 175.401 0.802 1
1 101 . 9 1 1 A 16 16 CYS CA C 16 58.466 59.649 -1.183 1
1 102 . 9 1 1 A 16 16 CYS CB C 16 32.439 30.137 2.302 1
1 103 . 9 1 1 A 16 16 CYS N N 16 116.046 114.857 1.189 1
1 104 . 9 1 1 A 17 17 GLY H H 17 8.087 8.512 -0.425 1
1 105 . 9 1 1 A 17 17 GLY HA2 H 17 3.882 4.028 -0.146 1
1 106 . 9 1 1 A 17 17 GLY HA3 H 17 4.225 4.041 0.184 1
1 107 . 9 1 1 A 17 17 GLY C C 17 174.332 174.140 0.192 1
1 108 . 9 1 1 A 17 17 GLY CA C 17 46.224 46.327 -0.103 1
1 109 . 9 1 1 A 17 17 GLY N N 17 112.453 110.255 2.198 1
1 110 . 9 1 1 A 18 18 LYS H H 18 7.998 7.847 0.151 1
1 111 . 9 1 1 A 18 18 LYS HA H 18 4.011 4.720 -0.709 1
1 120 . 9 1 1 A 18 18 LYS C C 18 173.574 174.828 -1.254 1
1 121 . 9 1 1 A 18 18 LYS CA C 18 58.142 54.163 3.979 1
1 122 . 9 1 1 A 18 18 LYS CB C 18 33.979 35.426 -1.447 1
1 126 . 9 1 1 A 18 18 LYS N N 18 123.407 119.269 4.138 1
1 127 . 9 1 1 A 19 19 ALA H H 19 7.768 8.726 -0.958 1
1 128 . 9 1 1 A 19 19 ALA HA H 19 5.057 5.357 -0.300 1
1 132 . 9 1 1 A 19 19 ALA C C 19 176.149 176.754 -0.605 1
1 133 . 9 1 1 A 19 19 ALA CA C 19 50.649 51.004 -0.355 1
1 134 . 9 1 1 A 19 19 ALA CB C 19 22.135 21.356 0.779 1
1 135 . 9 1 1 A 19 19 ALA N N 19 122.869 125.572 -2.703 1
1 136 . 9 1 1 A 20 20 PHE H H 20 8.400 9.306 -0.906 1
1 137 . 9 1 1 A 20 20 PHE HA H 20 4.787 5.270 -0.483 1
1 145 . 9 1 1 A 20 20 PHE C C 20 175.996 175.603 0.393 1
1 146 . 9 1 1 A 20 20 PHE CA C 20 57.402 56.150 1.252 1
1 147 . 9 1 1 A 20 20 PHE CB C 20 44.177 42.508 1.669 1
1 153 . 9 1 1 A 20 20 PHE N N 20 116.260 118.232 -1.972 1
1 154 . 9 1 1 A 21 21 ARG H H 21 9.316 8.836 0.480 1
1 155 . 9 1 1 A 21 21 ARG HA H 21 4.478 4.485 -0.007 1
1 162 . 9 1 1 A 21 21 ARG C C 21 175.389 175.776 -0.387 1
1 163 . 9 1 1 A 21 21 ARG CA C 21 57.837 57.320 0.517 1
1 164 . 9 1 1 A 21 21 ARG CB C 21 31.184 30.041 1.143 1
1 167 . 9 1 1 A 21 21 ARG N N 21 119.000 121.161 -2.161 1
1 168 . 9 1 1 A 22 22 SER H H 22 7.474 7.953 -0.479 1
1 169 . 9 1 1 A 22 22 SER HA H 22 4.696 4.789 -0.093 1
1 172 . 9 1 1 A 22 22 SER C C 22 173.464 174.172 -0.708 1
1 173 . 9 1 1 A 22 22 SER CA C 22 55.901 57.068 -1.167 1
1 174 . 9 1 1 A 22 22 SER CB C 22 66.117 65.389 0.728 1
1 175 . 9 1 1 A 22 22 SER N N 22 109.845 112.334 -2.489 1
1 176 . 9 1 1 A 23 23 LYS H H 23 8.388 8.486 -0.098 1
1 177 . 9 1 1 A 23 23 LYS HA H 23 3.324 2.943 0.381 1
1 186 . 9 1 1 A 23 23 LYS C C 23 178.109 178.308 -0.199 1
1 187 . 9 1 1 A 23 23 LYS CA C 23 58.994 59.639 -0.645 1
1 188 . 9 1 1 A 23 23 LYS CB C 23 31.895 32.271 -0.376 1
1 192 . 9 1 1 A 23 23 LYS N N 23 125.361 126.624 -1.263 1
1 193 . 9 1 1 A 24 24 SER H H 24 8.217 8.251 -0.034 1
1 194 . 9 1 1 A 24 24 SER HA H 24 3.980 4.110 -0.130 1
1 197 . 9 1 1 A 24 24 SER C C 24 176.910 175.936 0.974 1
1 198 . 9 1 1 A 24 24 SER CA C 24 61.457 62.196 -0.739 1
1 199 . 9 1 1 A 24 24 SER CB C 24 61.986 62.497 -0.511 1
1 200 . 9 1 1 A 24 24 SER N N 24 113.056 114.201 -1.145 1
1 201 . 9 1 1 A 25 25 TYR H H 25 7.270 8.304 -1.034 1
1 202 . 9 1 1 A 25 25 TYR HA H 25 4.258 4.161 0.097 1
1 209 . 9 1 1 A 25 25 TYR C C 25 178.363 177.220 1.143 1
1 210 . 9 1 1 A 25 25 TYR CA C 25 59.989 61.893 -1.904 1
1 211 . 9 1 1 A 25 25 TYR CB C 25 37.656 38.925 -1.269 1
1 216 . 9 1 1 A 25 25 TYR N N 25 119.562 122.968 -3.406 1
1 217 . 9 1 1 A 26 26 LEU H H 26 7.354 8.258 -0.904 1
1 218 . 9 1 1 A 26 26 LEU HA H 26 3.466 2.505 0.961 1
1 228 . 9 1 1 A 26 26 LEU C C 26 177.513 178.270 -0.757 1
1 229 . 9 1 1 A 26 26 LEU CA C 26 58.142 57.651 0.491 1
1 230 . 9 1 1 A 26 26 LEU CB C 26 40.723 41.408 -0.685 1
1 234 . 9 1 1 A 26 26 LEU N N 26 122.537 120.236 2.301 1
1 235 . 9 1 1 A 27 27 ILE H H 27 8.244 7.526 0.718 1
1 236 . 9 1 1 A 27 27 ILE HA H 27 3.594 3.488 0.106 1
1 246 . 9 1 1 A 27 27 ILE C C 27 179.045 177.877 1.168 1
1 247 . 9 1 1 A 27 27 ILE CA C 27 65.264 65.256 0.008 1
1 248 . 9 1 1 A 27 27 ILE CB C 27 37.650 37.631 0.019 1
1 252 . 9 1 1 A 27 27 ILE N N 27 120.012 119.172 0.840 1
1 253 . 9 1 1 A 28 28 ILE H H 28 7.350 8.207 -0.857 1
1 254 . 9 1 1 A 28 28 ILE HA H 28 3.541 3.789 -0.248 1
1 264 . 9 1 1 A 28 28 ILE C C 28 179.008 178.488 0.520 1
1 265 . 9 1 1 A 28 28 ILE CA C 28 65.093 64.917 0.176 1
1 266 . 9 1 1 A 28 28 ILE CB C 28 38.473 37.767 0.706 1
1 270 . 9 1 1 A 28 28 ILE N N 28 119.450 120.013 -0.563 1
1 271 . 9 1 1 A 29 29 HIS H H 29 7.774 8.402 -0.628 1
1 272 . 9 1 1 A 29 29 HIS HA H 29 4.210 4.226 -0.016 1
1 277 . 9 1 1 A 29 29 HIS C C 29 178.135 177.004 1.131 1
1 278 . 9 1 1 A 29 29 HIS CA C 29 59.320 59.405 -0.085 1
1 279 . 9 1 1 A 29 29 HIS CB C 29 28.240 30.146 -1.906 1
1 282 . 9 1 1 A 29 29 HIS N N 29 119.901 121.101 -1.200 1
1 283 . 9 1 1 A 30 30 MET H H 30 8.859 8.511 0.348 1
1 284 . 9 1 1 A 30 30 MET HA H 30 4.061 3.848 0.213 1
1 292 . 9 1 1 A 30 30 MET C C 30 178.435 178.281 0.154 1
1 293 . 9 1 1 A 30 30 MET CA C 30 58.334 59.236 -0.902 1
1 294 . 9 1 1 A 30 30 MET CB C 30 30.760 32.594 -1.834 1
1 297 . 9 1 1 A 30 30 MET N N 30 119.643 117.324 2.319 1
1 298 . 9 1 1 A 31 31 ARG H H 31 7.334 7.837 -0.503 1
1 299 . 9 1 1 A 31 31 ARG HA H 31 4.214 4.056 0.158 1
1 306 . 9 1 1 A 31 31 ARG C C 31 178.442 177.649 0.793 1
1 307 . 9 1 1 A 31 31 ARG CA C 31 58.742 58.557 0.185 1
1 308 . 9 1 1 A 31 31 ARG CB C 31 29.921 30.031 -0.110 1
1 311 . 9 1 1 A 31 31 ARG N N 31 117.860 117.566 0.294 1
1 312 . 9 1 1 A 32 32 THR H H 32 7.892 8.166 -0.274 1
1 313 . 9 1 1 A 32 32 THR HA H 32 4.129 3.935 0.194 1
1 318 . 9 1 1 A 32 32 THR C C 32 175.441 177.159 -1.718 1
1 319 . 9 1 1 A 32 32 THR CA C 32 63.963 65.185 -1.222 1
1 320 . 9 1 1 A 32 32 THR CB C 32 69.388 67.543 1.845 1
1 322 . 9 1 1 A 32 32 THR N N 32 109.787 111.328 -1.541 1
1 323 . 9 1 1 A 33 33 HIS H H 33 7.270 7.590 -0.320 1
1 324 . 9 1 1 A 33 33 HIS HA H 33 4.921 4.403 0.518 1
1 329 . 9 1 1 A 33 33 HIS C C 33 175.596 176.128 -0.532 1
1 330 . 9 1 1 A 33 33 HIS CA C 33 55.469 59.336 -3.867 1
1 331 . 9 1 1 A 33 33 HIS CB C 33 28.877 30.100 -1.223 1
1 334 . 9 1 1 A 33 33 HIS N N 33 118.636 119.033 -0.397 1
1 335 . 9 1 1 A 34 34 THR H H 34 7.842 7.651 0.191 1
1 336 . 9 1 1 A 34 34 THR HA H 34 4.377 4.538 -0.161 1
1 341 . 9 1 1 A 34 34 THR C C 34 175.388 172.844 2.544 1
1 342 . 9 1 1 A 34 34 THR CA C 34 62.369 60.645 1.724 1
1 343 . 9 1 1 A 34 34 THR CB C 34 69.883 68.929 0.954 1
1 345 . 9 1 1 A 34 34 THR N N 34 112.003 112.952 -0.949 1
1 346 . 9 1 1 A 35 35 GLY H H 35 8.325 8.753 -0.428 1
1 347 . 9 1 1 A 35 35 GLY HA2 H 35 4.037 4.103 -0.066 1
1 348 . 9 1 1 A 35 35 GLY HA3 H 35 3.961 4.104 -0.143 1
1 349 . 9 1 1 A 35 35 GLY C C 35 174.027 172.405 1.622 1
1 350 . 9 1 1 A 35 35 GLY CA C 35 45.420 44.261 1.159 1
1 351 . 9 1 1 A 35 35 GLY N N 35 110.924 115.301 -4.377 1
1 352 . 9 1 1 A 36 36 GLU H H 36 8.134 8.481 -0.347 1
1 353 . 9 1 1 A 36 36 GLU HA H 36 4.252 4.655 -0.403 1
1 358 . 9 1 1 A 36 36 GLU C C 36 176.217 175.073 1.144 1
1 359 . 9 1 1 A 36 36 GLU CA C 36 56.529 55.602 0.927 1
1 360 . 9 1 1 A 36 36 GLU CB C 36 30.526 29.392 1.134 1
1 362 . 9 1 1 A 36 36 GLU N N 36 120.646 119.944 0.702 1
1 363 . 9 1 1 A 37 37 LYS H H 37 8.442 8.172 0.270 1
1 364 . 9 1 1 A 37 37 LYS HA H 37 4.624 4.758 -0.134 1
1 373 . 9 1 1 A 37 37 LYS C C 37 174.470 176.460 -1.990 1
1 374 . 9 1 1 A 37 37 LYS CA C 37 54.105 53.416 0.689 1
1 375 . 9 1 1 A 37 37 LYS CB C 37 32.513 33.183 -0.670 1
1 379 . 9 1 1 A 37 37 LYS N N 37 123.934 124.691 -0.757 1
1 380 . 9 1 1 A 38 38 PRO HA H 38 4.472 4.477 -0.005 1
1 387 . 9 1 1 A 38 38 PRO C C 38 176.963 177.549 -0.586 1
1 388 . 9 1 1 A 38 38 PRO CA C 38 63.242 64.264 -1.022 1
1 389 . 9 1 1 A 38 38 PRO CB C 38 32.184 31.710 0.474 1
1 392 . 9 1 1 A 39 39 SER H H 39 8.479 8.027 0.452 1
1 393 . 9 1 1 A 39 39 SER HA H 39 4.478 4.468 0.010 1
1 396 . 9 1 1 A 39 39 SER C C 39 174.643 175.386 -0.743 1
1 397 . 9 1 1 A 39 39 SER CA C 39 58.498 60.080 -1.582 1
1 398 . 9 1 1 A 39 39 SER CB C 39 63.958 64.029 -0.071 1
1 399 . 9 1 1 A 39 39 SER N N 39 116.485 111.332 5.153 1
1 400 . 9 1 1 A 40 40 GLY H H 40 8.234 8.037 0.197 1
1 401 . 9 1 1 A 40 40 GLY HA2 H 40 4.173 3.922 0.251 1
1 402 . 9 1 1 A 40 40 GLY HA3 H 40 4.122 3.922 0.200 1
1 403 . 9 1 1 A 40 40 GLY C C 40 171.735 175.403 -3.668 1
1 404 . 9 1 1 A 40 40 GLY CA C 40 44.655 46.868 -2.213 1
1 405 . 9 1 1 A 40 40 GLY N N 40 110.650 108.520 2.130 1
1 406 . 9 1 1 A 41 41 PRO HA H 41 4.474 4.490 -0.016 1
1 413 . 9 1 1 A 41 41 PRO CA C 41 63.258 64.564 -1.306 1
1 414 . 9 1 1 A 41 41 PRO CB C 41 32.111 31.887 0.224 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.954 3.971 -0.017 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.954 3.976 -0.022 1
1 3 . 10 1 1 A 7 7 GLY C C 7 173.934 175.347 -1.413 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.271 46.829 -1.558 1
1 5 . 10 1 1 A 8 8 VAL H H 8 7.897 7.665 0.232 1
1 6 . 10 1 1 A 8 8 VAL HA H 8 4.047 4.018 0.029 1
1 14 . 10 1 1 A 8 8 VAL C C 8 175.891 176.149 -0.258 1
1 15 . 10 1 1 A 8 8 VAL CA C 8 62.520 64.631 -2.111 1
1 16 . 10 1 1 A 8 8 VAL CB C 8 32.445 32.002 0.443 1
1 19 . 10 1 1 A 8 8 VAL N N 8 119.114 118.801 0.313 1
1 20 . 10 1 1 A 9 9 LYS H H 9 8.299 7.331 0.968 1
1 21 . 10 1 1 A 9 9 LYS HA H 9 4.522 4.429 0.093 1
1 28 . 10 1 1 A 9 9 LYS C C 9 173.981 176.420 -2.439 1
1 29 . 10 1 1 A 9 9 LYS CA C 9 53.793 54.740 -0.947 1
1 30 . 10 1 1 A 9 9 LYS CB C 9 33.011 31.847 1.164 1
1 34 . 10 1 1 A 9 9 LYS N N 9 125.248 124.253 0.995 1
1 35 . 10 1 1 A 10 10 PRO HA H 10 4.290 4.266 0.024 1
1 42 . 10 1 1 A 10 10 PRO C C 10 176.364 175.686 0.678 1
1 43 . 10 1 1 A 10 10 PRO CA C 10 63.426 64.327 -0.901 1
1 44 . 10 1 1 A 10 10 PRO CB C 10 32.209 31.540 0.669 1
1 47 . 10 1 1 A 11 11 TYR H H 11 7.981 7.424 0.557 1
1 48 . 10 1 1 A 11 11 TYR HA H 11 4.659 5.357 -0.698 1
1 55 . 10 1 1 A 11 11 TYR C C 11 175.225 175.073 0.152 1
1 56 . 10 1 1 A 11 11 TYR CA C 11 57.195 56.194 1.001 1
1 57 . 10 1 1 A 11 11 TYR CB C 11 38.185 41.715 -3.530 1
1 62 . 10 1 1 A 11 11 TYR N N 11 117.941 117.815 0.126 1
1 63 . 10 1 1 A 12 12 GLY H H 12 8.475 8.988 -0.513 1
1 64 . 10 1 1 A 12 12 GLY HA2 H 12 3.630 4.347 -0.717 1
1 65 . 10 1 1 A 12 12 GLY HA3 H 12 4.709 4.388 0.321 1
1 66 . 10 1 1 A 12 12 GLY C C 12 172.847 172.767 0.080 1
1 67 . 10 1 1 A 12 12 GLY CA C 12 44.512 44.881 -0.369 1
1 68 . 10 1 1 A 12 12 GLY N N 12 111.547 110.778 0.769 1
1 69 . 10 1 1 A 13 13 CYS H H 13 9.098 8.897 0.201 1
1 70 . 10 1 1 A 13 13 CYS HA H 13 4.701 4.638 0.063 1
1 73 . 10 1 1 A 13 13 CYS C C 13 177.769 175.684 2.085 1
1 74 . 10 1 1 A 13 13 CYS CA C 13 59.277 59.687 -0.410 1
1 75 . 10 1 1 A 13 13 CYS CB C 13 30.109 28.386 1.723 1
1 76 . 10 1 1 A 13 13 CYS N N 13 124.934 124.752 0.182 1
1 77 . 10 1 1 A 14 14 SER H H 14 9.169 9.039 0.130 1
1 78 . 10 1 1 A 14 14 SER HA H 14 4.273 4.136 0.137 1
1 81 . 10 1 1 A 14 14 SER C C 14 174.567 177.021 -2.454 1
1 82 . 10 1 1 A 14 14 SER CA C 14 60.801 61.611 -0.810 1
1 83 . 10 1 1 A 14 14 SER CB C 14 63.065 63.128 -0.063 1
1 84 . 10 1 1 A 14 14 SER N N 14 127.617 123.108 4.509 1
1 85 . 10 1 1 A 15 15 GLU H H 15 9.031 8.332 0.699 1
1 86 . 10 1 1 A 15 15 GLU HA H 15 4.274 3.980 0.294 1
1 91 . 10 1 1 A 15 15 GLU C C 15 177.149 178.362 -1.213 1
1 92 . 10 1 1 A 15 15 GLU CA C 15 57.715 59.377 -1.662 1
1 93 . 10 1 1 A 15 15 GLU CB C 15 29.512 29.045 0.467 1
1 95 . 10 1 1 A 15 15 GLU N N 15 123.683 121.674 2.009 1
1 96 . 10 1 1 A 16 16 CYS H H 16 8.253 7.834 0.419 1
1 97 . 10 1 1 A 16 16 CYS HA H 16 5.178 4.607 0.571 1
1 100 . 10 1 1 A 16 16 CYS C C 16 176.203 175.330 0.873 1
1 101 . 10 1 1 A 16 16 CYS CA C 16 58.466 59.751 -1.285 1
1 102 . 10 1 1 A 16 16 CYS CB C 16 32.439 29.536 2.903 1
1 103 . 10 1 1 A 16 16 CYS N N 16 116.046 115.158 0.888 1
1 104 . 10 1 1 A 17 17 GLY H H 17 8.087 8.228 -0.141 1
1 105 . 10 1 1 A 17 17 GLY HA2 H 17 3.882 4.023 -0.141 1
1 106 . 10 1 1 A 17 17 GLY HA3 H 17 4.225 4.026 0.199 1
1 107 . 10 1 1 A 17 17 GLY C C 17 174.332 173.937 0.395 1
1 108 . 10 1 1 A 17 17 GLY CA C 17 46.224 46.270 -0.046 1
1 109 . 10 1 1 A 17 17 GLY N N 17 112.453 110.053 2.400 1
1 110 . 10 1 1 A 18 18 LYS H H 18 7.998 7.692 0.306 1
1 111 . 10 1 1 A 18 18 LYS HA H 18 4.011 4.773 -0.762 1
1 120 . 10 1 1 A 18 18 LYS C C 18 173.574 174.818 -1.244 1
1 121 . 10 1 1 A 18 18 LYS CA C 18 58.142 54.072 4.070 1
1 122 . 10 1 1 A 18 18 LYS CB C 18 33.979 36.060 -2.081 1
1 126 . 10 1 1 A 18 18 LYS N N 18 123.407 118.776 4.631 1
1 127 . 10 1 1 A 19 19 ALA H H 19 7.768 8.249 -0.481 1
1 128 . 10 1 1 A 19 19 ALA HA H 19 5.057 5.233 -0.176 1
1 132 . 10 1 1 A 19 19 ALA C C 19 176.149 174.935 1.214 1
1 133 . 10 1 1 A 19 19 ALA CA C 19 50.649 50.424 0.225 1
1 134 . 10 1 1 A 19 19 ALA CB C 19 22.135 23.688 -1.553 1
1 135 . 10 1 1 A 19 19 ALA N N 19 122.869 120.802 2.067 1
1 136 . 10 1 1 A 20 20 PHE H H 20 8.400 8.485 -0.085 1
1 137 . 10 1 1 A 20 20 PHE HA H 20 4.787 4.922 -0.135 1
1 145 . 10 1 1 A 20 20 PHE C C 20 175.996 175.821 0.175 1
1 146 . 10 1 1 A 20 20 PHE CA C 20 57.402 56.344 1.058 1
1 147 . 10 1 1 A 20 20 PHE CB C 20 44.177 41.101 3.076 1
1 153 . 10 1 1 A 20 20 PHE N N 20 116.260 117.058 -0.798 1
1 154 . 10 1 1 A 21 21 ARG H H 21 9.316 8.822 0.494 1
1 155 . 10 1 1 A 21 21 ARG HA H 21 4.478 4.009 0.469 1
1 162 . 10 1 1 A 21 21 ARG C C 21 175.389 175.861 -0.472 1
1 163 . 10 1 1 A 21 21 ARG CA C 21 57.837 59.407 -1.570 1
1 164 . 10 1 1 A 21 21 ARG CB C 21 31.184 30.320 0.864 1
1 167 . 10 1 1 A 21 21 ARG N N 21 119.000 126.982 -7.982 1
1 168 . 10 1 1 A 22 22 SER H H 22 7.474 7.930 -0.456 1
1 169 . 10 1 1 A 22 22 SER HA H 22 4.696 5.017 -0.321 1
1 172 . 10 1 1 A 22 22 SER C C 22 173.464 174.217 -0.753 1
1 173 . 10 1 1 A 22 22 SER CA C 22 55.901 56.166 -0.265 1
1 174 . 10 1 1 A 22 22 SER CB C 22 66.117 65.433 0.684 1
1 175 . 10 1 1 A 22 22 SER N N 22 109.845 114.142 -4.297 1
1 176 . 10 1 1 A 23 23 LYS H H 23 8.388 8.634 -0.246 1
1 177 . 10 1 1 A 23 23 LYS HA H 23 3.324 2.883 0.441 1
1 186 . 10 1 1 A 23 23 LYS C C 23 178.109 177.883 0.226 1
1 187 . 10 1 1 A 23 23 LYS CA C 23 58.994 59.172 -0.178 1
1 188 . 10 1 1 A 23 23 LYS CB C 23 31.895 31.845 0.050 1
1 192 . 10 1 1 A 23 23 LYS N N 23 125.361 126.503 -1.142 1
1 193 . 10 1 1 A 24 24 SER H H 24 8.217 8.275 -0.058 1
1 194 . 10 1 1 A 24 24 SER HA H 24 3.980 4.108 -0.128 1
1 197 . 10 1 1 A 24 24 SER C C 24 176.910 176.870 0.040 1
1 198 . 10 1 1 A 24 24 SER CA C 24 61.457 61.561 -0.104 1
1 199 . 10 1 1 A 24 24 SER CB C 24 61.986 62.578 -0.592 1
1 200 . 10 1 1 A 24 24 SER N N 24 113.056 114.320 -1.264 1
1 201 . 10 1 1 A 25 25 TYR H H 25 7.270 8.299 -1.029 1
1 202 . 10 1 1 A 25 25 TYR HA H 25 4.258 4.298 -0.040 1
1 209 . 10 1 1 A 25 25 TYR C C 25 178.363 177.588 0.775 1
1 210 . 10 1 1 A 25 25 TYR CA C 25 59.989 60.568 -0.579 1
1 211 . 10 1 1 A 25 25 TYR CB C 25 37.656 38.222 -0.566 1
1 216 . 10 1 1 A 25 25 TYR N N 25 119.562 119.387 0.175 1
1 217 . 10 1 1 A 26 26 LEU H H 26 7.354 7.862 -0.508 1
1 218 . 10 1 1 A 26 26 LEU HA H 26 3.466 2.483 0.983 1
1 228 . 10 1 1 A 26 26 LEU C C 26 177.513 178.307 -0.794 1
1 229 . 10 1 1 A 26 26 LEU CA C 26 58.142 57.732 0.410 1
1 230 . 10 1 1 A 26 26 LEU CB C 26 40.723 41.176 -0.453 1
1 234 . 10 1 1 A 26 26 LEU N N 26 122.537 120.560 1.977 1
1 235 . 10 1 1 A 27 27 ILE H H 27 8.244 7.738 0.506 1
1 236 . 10 1 1 A 27 27 ILE HA H 27 3.594 3.530 0.064 1
1 246 . 10 1 1 A 27 27 ILE C C 27 179.045 177.854 1.191 1
1 247 . 10 1 1 A 27 27 ILE CA C 27 65.264 65.268 -0.004 1
1 248 . 10 1 1 A 27 27 ILE CB C 27 37.650 37.723 -0.073 1
1 252 . 10 1 1 A 27 27 ILE N N 27 120.012 119.442 0.570 1
1 253 . 10 1 1 A 28 28 ILE H H 28 7.350 7.679 -0.329 1
1 254 . 10 1 1 A 28 28 ILE HA H 28 3.541 3.791 -0.250 1
1 264 . 10 1 1 A 28 28 ILE C C 28 179.008 177.736 1.272 1
1 265 . 10 1 1 A 28 28 ILE CA C 28 65.093 64.573 0.520 1
1 266 . 10 1 1 A 28 28 ILE CB C 28 38.473 37.847 0.626 1
1 270 . 10 1 1 A 28 28 ILE N N 28 119.450 119.726 -0.276 1
1 271 . 10 1 1 A 29 29 HIS H H 29 7.774 7.888 -0.114 1
1 272 . 10 1 1 A 29 29 HIS HA H 29 4.210 4.379 -0.169 1
1 277 . 10 1 1 A 29 29 HIS C C 29 178.135 177.246 0.889 1
1 278 . 10 1 1 A 29 29 HIS CA C 29 59.320 58.595 0.725 1
1 279 . 10 1 1 A 29 29 HIS CB C 29 28.240 30.233 -1.993 1
1 282 . 10 1 1 A 29 29 HIS N N 29 119.901 122.110 -2.209 1
1 283 . 10 1 1 A 30 30 MET H H 30 8.859 8.632 0.227 1
1 284 . 10 1 1 A 30 30 MET HA H 30 4.061 4.308 -0.247 1
1 292 . 10 1 1 A 30 30 MET C C 30 178.435 178.011 0.424 1
1 293 . 10 1 1 A 30 30 MET CA C 30 58.334 57.102 1.232 1
1 294 . 10 1 1 A 30 30 MET CB C 30 30.760 31.073 -0.313 1
1 297 . 10 1 1 A 30 30 MET N N 30 119.643 117.420 2.223 1
1 298 . 10 1 1 A 31 31 ARG H H 31 7.334 8.414 -1.080 1
1 299 . 10 1 1 A 31 31 ARG HA H 31 4.214 4.065 0.149 1
1 306 . 10 1 1 A 31 31 ARG C C 31 178.442 177.980 0.462 1
1 307 . 10 1 1 A 31 31 ARG CA C 31 58.742 58.805 -0.063 1
1 308 . 10 1 1 A 31 31 ARG CB C 31 29.921 29.833 0.088 1
1 311 . 10 1 1 A 31 31 ARG N N 31 117.860 118.930 -1.070 1
1 312 . 10 1 1 A 32 32 THR H H 32 7.892 7.740 0.152 1
1 313 . 10 1 1 A 32 32 THR HA H 32 4.129 4.113 0.016 1
1 318 . 10 1 1 A 32 32 THR C C 32 175.441 176.617 -1.176 1
1 319 . 10 1 1 A 32 32 THR CA C 32 63.963 65.386 -1.423 1
1 320 . 10 1 1 A 32 32 THR CB C 32 69.388 68.607 0.781 1
1 322 . 10 1 1 A 32 32 THR N N 32 109.787 114.583 -4.796 1
1 323 . 10 1 1 A 33 33 HIS H H 33 7.270 7.679 -0.409 1
1 324 . 10 1 1 A 33 33 HIS HA H 33 4.921 4.383 0.538 1
1 329 . 10 1 1 A 33 33 HIS C C 33 175.596 176.180 -0.584 1
1 330 . 10 1 1 A 33 33 HIS CA C 33 55.469 59.205 -3.736 1
1 331 . 10 1 1 A 33 33 HIS CB C 33 28.877 29.506 -0.629 1
1 334 . 10 1 1 A 33 33 HIS N N 33 118.636 119.016 -0.380 1
1 335 . 10 1 1 A 34 34 THR H H 34 7.842 8.039 -0.197 1
1 336 . 10 1 1 A 34 34 THR HA H 34 4.377 4.406 -0.029 1
1 341 . 10 1 1 A 34 34 THR C C 34 175.388 174.701 0.687 1
1 342 . 10 1 1 A 34 34 THR CA C 34 62.369 61.469 0.900 1
1 343 . 10 1 1 A 34 34 THR CB C 34 69.883 68.900 0.983 1
1 345 . 10 1 1 A 34 34 THR N N 34 112.003 105.608 6.395 1
1 346 . 10 1 1 A 35 35 GLY H H 35 8.325 7.954 0.371 1
1 347 . 10 1 1 A 35 35 GLY HA2 H 35 4.037 4.006 0.031 1
1 348 . 10 1 1 A 35 35 GLY HA3 H 35 3.961 4.007 -0.046 1
1 349 . 10 1 1 A 35 35 GLY C C 35 174.027 172.738 1.289 1
1 350 . 10 1 1 A 35 35 GLY CA C 35 45.420 44.964 0.456 1
1 351 . 10 1 1 A 35 35 GLY N N 35 110.924 110.663 0.261 1
1 352 . 10 1 1 A 36 36 GLU H H 36 8.134 8.623 -0.489 1
1 353 . 10 1 1 A 36 36 GLU HA H 36 4.252 4.670 -0.418 1
1 358 . 10 1 1 A 36 36 GLU C C 36 176.217 175.636 0.581 1
1 359 . 10 1 1 A 36 36 GLU CA C 36 56.529 55.039 1.490 1
1 360 . 10 1 1 A 36 36 GLU CB C 36 30.526 30.015 0.511 1
1 362 . 10 1 1 A 36 36 GLU N N 36 120.646 121.583 -0.937 1
1 363 . 10 1 1 A 37 37 LYS H H 37 8.442 8.324 0.118 1
1 364 . 10 1 1 A 37 37 LYS HA H 37 4.624 4.650 -0.026 1
1 373 . 10 1 1 A 37 37 LYS C C 37 174.470 175.861 -1.391 1
1 374 . 10 1 1 A 37 37 LYS CA C 37 54.105 54.863 -0.758 1
1 375 . 10 1 1 A 37 37 LYS CB C 37 32.513 32.474 0.039 1
1 379 . 10 1 1 A 37 37 LYS N N 37 123.934 123.257 0.677 1
1 380 . 10 1 1 A 38 38 PRO HA H 38 4.472 4.659 -0.187 1
1 387 . 10 1 1 A 38 38 PRO C C 38 176.963 175.807 1.156 1
1 388 . 10 1 1 A 38 38 PRO CA C 38 63.242 62.511 0.731 1
1 389 . 10 1 1 A 38 38 PRO CB C 38 32.184 33.069 -0.885 1
1 392 . 10 1 1 A 39 39 SER H H 39 8.479 8.561 -0.082 1
1 393 . 10 1 1 A 39 39 SER HA H 39 4.478 5.246 -0.768 1
1 396 . 10 1 1 A 39 39 SER C C 39 174.643 173.367 1.276 1
1 397 . 10 1 1 A 39 39 SER CA C 39 58.498 57.216 1.282 1
1 398 . 10 1 1 A 39 39 SER CB C 39 63.958 65.367 -1.409 1
1 399 . 10 1 1 A 39 39 SER N N 39 116.485 112.352 4.133 1
1 400 . 10 1 1 A 40 40 GLY H H 40 8.234 8.847 -0.613 1
1 401 . 10 1 1 A 40 40 GLY HA2 H 40 4.173 4.101 0.072 1
1 402 . 10 1 1 A 40 40 GLY HA3 H 40 4.122 4.101 0.021 1
1 403 . 10 1 1 A 40 40 GLY C C 40 171.735 174.617 -2.882 1
1 404 . 10 1 1 A 40 40 GLY CA C 40 44.655 43.573 1.082 1
1 405 . 10 1 1 A 40 40 GLY N N 40 110.650 111.012 -0.362 1
1 406 . 10 1 1 A 41 41 PRO HA H 41 4.474 4.407 0.067 1
1 413 . 10 1 1 A 41 41 PRO CA C 41 63.258 64.617 -1.359 1
1 414 . 10 1 1 A 41 41 PRO CB C 41 32.111 31.805 0.306 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.954 4.061 -0.107 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.954 4.065 -0.111 1
1 3 . 11 1 1 A 7 7 GLY C C 7 173.934 174.436 -0.502 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.271 44.239 1.032 1
1 5 . 11 1 1 A 8 8 VAL H H 8 7.897 8.193 -0.296 1
1 6 . 11 1 1 A 8 8 VAL HA H 8 4.047 4.427 -0.380 1
1 14 . 11 1 1 A 8 8 VAL C C 8 175.891 175.571 0.320 1
1 15 . 11 1 1 A 8 8 VAL CA C 8 62.520 60.417 2.103 1
1 16 . 11 1 1 A 8 8 VAL CB C 8 32.445 31.409 1.036 1
1 19 . 11 1 1 A 8 8 VAL N N 8 119.114 116.575 2.539 1
1 20 . 11 1 1 A 9 9 LYS H H 9 8.299 7.699 0.600 1
1 21 . 11 1 1 A 9 9 LYS HA H 9 4.522 4.728 -0.206 1
1 28 . 11 1 1 A 9 9 LYS C C 9 173.981 176.016 -2.035 1
1 29 . 11 1 1 A 9 9 LYS CA C 9 53.793 53.469 0.324 1
1 30 . 11 1 1 A 9 9 LYS CB C 9 33.011 32.613 0.398 1
1 34 . 11 1 1 A 9 9 LYS N N 9 125.248 118.932 6.316 1
1 35 . 11 1 1 A 10 10 PRO HA H 10 4.290 4.436 -0.146 1
1 42 . 11 1 1 A 10 10 PRO C C 10 176.364 175.694 0.670 1
1 43 . 11 1 1 A 10 10 PRO CA C 10 63.426 64.224 -0.798 1
1 44 . 11 1 1 A 10 10 PRO CB C 10 32.209 31.356 0.853 1
1 47 . 11 1 1 A 11 11 TYR H H 11 7.981 7.621 0.360 1
1 48 . 11 1 1 A 11 11 TYR HA H 11 4.659 5.023 -0.364 1
1 55 . 11 1 1 A 11 11 TYR C C 11 175.225 174.508 0.717 1
1 56 . 11 1 1 A 11 11 TYR CA C 11 57.195 56.169 1.026 1
1 57 . 11 1 1 A 11 11 TYR CB C 11 38.185 39.325 -1.140 1
1 62 . 11 1 1 A 11 11 TYR N N 11 117.941 118.655 -0.714 1
1 63 . 11 1 1 A 12 12 GLY H H 12 8.475 9.143 -0.668 1
1 64 . 11 1 1 A 12 12 GLY HA2 H 12 3.630 4.298 -0.668 1
1 65 . 11 1 1 A 12 12 GLY HA3 H 12 4.709 4.389 0.320 1
1 66 . 11 1 1 A 12 12 GLY C C 12 172.847 173.305 -0.458 1
1 67 . 11 1 1 A 12 12 GLY CA C 12 44.512 44.878 -0.366 1
1 68 . 11 1 1 A 12 12 GLY N N 12 111.547 111.324 0.223 1
1 69 . 11 1 1 A 13 13 CYS H H 13 9.098 9.074 0.024 1
1 70 . 11 1 1 A 13 13 CYS HA H 13 4.701 4.513 0.188 1
1 73 . 11 1 1 A 13 13 CYS C C 13 177.769 174.804 2.965 1
1 74 . 11 1 1 A 13 13 CYS CA C 13 59.277 59.792 -0.515 1
1 75 . 11 1 1 A 13 13 CYS CB C 13 30.109 28.964 1.145 1
1 76 . 11 1 1 A 13 13 CYS N N 13 124.934 125.263 -0.329 1
1 77 . 11 1 1 A 14 14 SER H H 14 9.169 8.907 0.262 1
1 78 . 11 1 1 A 14 14 SER HA H 14 4.273 4.538 -0.265 1
1 81 . 11 1 1 A 14 14 SER C C 14 174.567 175.956 -1.389 1
1 82 . 11 1 1 A 14 14 SER CA C 14 60.801 60.506 0.295 1
1 83 . 11 1 1 A 14 14 SER CB C 14 63.065 63.669 -0.604 1
1 84 . 11 1 1 A 14 14 SER N N 14 127.617 122.432 5.185 1
1 85 . 11 1 1 A 15 15 GLU H H 15 9.031 8.236 0.795 1
1 86 . 11 1 1 A 15 15 GLU HA H 15 4.274 3.903 0.371 1
1 91 . 11 1 1 A 15 15 GLU C C 15 177.149 178.113 -0.964 1
1 92 . 11 1 1 A 15 15 GLU CA C 15 57.715 59.185 -1.470 1
1 93 . 11 1 1 A 15 15 GLU CB C 15 29.512 28.541 0.971 1
1 95 . 11 1 1 A 15 15 GLU N N 15 123.683 121.499 2.184 1
1 96 . 11 1 1 A 16 16 CYS H H 16 8.253 7.818 0.435 1
1 97 . 11 1 1 A 16 16 CYS HA H 16 5.178 4.630 0.548 1
1 100 . 11 1 1 A 16 16 CYS C C 16 176.203 175.240 0.963 1
1 101 . 11 1 1 A 16 16 CYS CA C 16 58.466 59.711 -1.245 1
1 102 . 11 1 1 A 16 16 CYS CB C 16 32.439 29.546 2.893 1
1 103 . 11 1 1 A 16 16 CYS N N 16 116.046 115.009 1.037 1
1 104 . 11 1 1 A 17 17 GLY H H 17 8.087 8.126 -0.039 1
1 105 . 11 1 1 A 17 17 GLY HA2 H 17 3.882 4.046 -0.164 1
1 106 . 11 1 1 A 17 17 GLY HA3 H 17 4.225 4.058 0.167 1
1 107 . 11 1 1 A 17 17 GLY C C 17 174.332 174.061 0.271 1
1 108 . 11 1 1 A 17 17 GLY CA C 17 46.224 45.426 0.798 1
1 109 . 11 1 1 A 17 17 GLY N N 17 112.453 110.002 2.451 1
1 110 . 11 1 1 A 18 18 LYS H H 18 7.998 7.754 0.244 1
1 111 . 11 1 1 A 18 18 LYS HA H 18 4.011 4.596 -0.585 1
1 120 . 11 1 1 A 18 18 LYS C C 18 173.574 175.121 -1.547 1
1 121 . 11 1 1 A 18 18 LYS CA C 18 58.142 53.993 4.149 1
1 122 . 11 1 1 A 18 18 LYS CB C 18 33.979 34.357 -0.378 1
1 126 . 11 1 1 A 18 18 LYS N N 18 123.407 118.865 4.542 1
1 127 . 11 1 1 A 19 19 ALA H H 19 7.768 8.369 -0.601 1
1 128 . 11 1 1 A 19 19 ALA HA H 19 5.057 5.433 -0.376 1
1 132 . 11 1 1 A 19 19 ALA C C 19 176.149 175.199 0.950 1
1 133 . 11 1 1 A 19 19 ALA CA C 19 50.649 49.629 1.020 1
1 134 . 11 1 1 A 19 19 ALA CB C 19 22.135 22.918 -0.783 1
1 135 . 11 1 1 A 19 19 ALA N N 19 122.869 121.540 1.329 1
1 136 . 11 1 1 A 20 20 PHE H H 20 8.400 8.757 -0.357 1
1 137 . 11 1 1 A 20 20 PHE HA H 20 4.787 5.013 -0.226 1
1 145 . 11 1 1 A 20 20 PHE C C 20 175.996 175.940 0.056 1
1 146 . 11 1 1 A 20 20 PHE CA C 20 57.402 56.370 1.032 1
1 147 . 11 1 1 A 20 20 PHE CB C 20 44.177 41.462 2.715 1
1 153 . 11 1 1 A 20 20 PHE N N 20 116.260 117.178 -0.918 1
1 154 . 11 1 1 A 21 21 ARG H H 21 9.316 8.669 0.647 1
1 155 . 11 1 1 A 21 21 ARG HA H 21 4.478 4.238 0.240 1
1 162 . 11 1 1 A 21 21 ARG C C 21 175.389 175.893 -0.504 1
1 163 . 11 1 1 A 21 21 ARG CA C 21 57.837 59.028 -1.191 1
1 164 . 11 1 1 A 21 21 ARG CB C 21 31.184 29.973 1.211 1
1 167 . 11 1 1 A 21 21 ARG N N 21 119.000 124.755 -5.755 1
1 168 . 11 1 1 A 22 22 SER H H 22 7.474 8.165 -0.691 1
1 169 . 11 1 1 A 22 22 SER HA H 22 4.696 4.953 -0.257 1
1 172 . 11 1 1 A 22 22 SER C C 22 173.464 175.287 -1.823 1
1 173 . 11 1 1 A 22 22 SER CA C 22 55.901 56.218 -0.317 1
1 174 . 11 1 1 A 22 22 SER CB C 22 66.117 64.848 1.269 1
1 175 . 11 1 1 A 22 22 SER N N 22 109.845 115.207 -5.362 1
1 176 . 11 1 1 A 23 23 LYS H H 23 8.388 8.347 0.041 1
1 177 . 11 1 1 A 23 23 LYS HA H 23 3.324 3.180 0.144 1
1 186 . 11 1 1 A 23 23 LYS C C 23 178.109 178.139 -0.030 1
1 187 . 11 1 1 A 23 23 LYS CA C 23 58.994 58.453 0.541 1
1 188 . 11 1 1 A 23 23 LYS CB C 23 31.895 31.329 0.566 1
1 192 . 11 1 1 A 23 23 LYS N N 23 125.361 124.888 0.473 1
1 193 . 11 1 1 A 24 24 SER H H 24 8.217 8.226 -0.009 1
1 194 . 11 1 1 A 24 24 SER HA H 24 3.980 4.054 -0.074 1
1 197 . 11 1 1 A 24 24 SER C C 24 176.910 176.684 0.226 1
1 198 . 11 1 1 A 24 24 SER CA C 24 61.457 61.226 0.231 1
1 199 . 11 1 1 A 24 24 SER CB C 24 61.986 62.011 -0.025 1
1 200 . 11 1 1 A 24 24 SER N N 24 113.056 114.739 -1.683 1
1 201 . 11 1 1 A 25 25 TYR H H 25 7.270 8.170 -0.900 1
1 202 . 11 1 1 A 25 25 TYR HA H 25 4.258 4.345 -0.087 1
1 209 . 11 1 1 A 25 25 TYR C C 25 178.363 177.888 0.475 1
1 210 . 11 1 1 A 25 25 TYR CA C 25 59.989 60.983 -0.994 1
1 211 . 11 1 1 A 25 25 TYR CB C 25 37.656 38.396 -0.740 1
1 216 . 11 1 1 A 25 25 TYR N N 25 119.562 119.368 0.194 1
1 217 . 11 1 1 A 26 26 LEU H H 26 7.354 7.530 -0.176 1
1 218 . 11 1 1 A 26 26 LEU HA H 26 3.466 2.319 1.147 1
1 228 . 11 1 1 A 26 26 LEU C C 26 177.513 178.270 -0.757 1
1 229 . 11 1 1 A 26 26 LEU CA C 26 58.142 57.697 0.445 1
1 230 . 11 1 1 A 26 26 LEU CB C 26 40.723 41.569 -0.846 1
1 234 . 11 1 1 A 26 26 LEU N N 26 122.537 120.790 1.747 1
1 235 . 11 1 1 A 27 27 ILE H H 27 8.244 7.734 0.510 1
1 236 . 11 1 1 A 27 27 ILE HA H 27 3.594 3.509 0.085 1
1 246 . 11 1 1 A 27 27 ILE C C 27 179.045 177.933 1.112 1
1 247 . 11 1 1 A 27 27 ILE CA C 27 65.264 65.110 0.154 1
1 248 . 11 1 1 A 27 27 ILE CB C 27 37.650 37.804 -0.154 1
1 252 . 11 1 1 A 27 27 ILE N N 27 120.012 119.173 0.839 1
1 253 . 11 1 1 A 28 28 ILE H H 28 7.350 8.129 -0.779 1
1 254 . 11 1 1 A 28 28 ILE HA H 28 3.541 3.747 -0.206 1
1 264 . 11 1 1 A 28 28 ILE C C 28 179.008 178.555 0.453 1
1 265 . 11 1 1 A 28 28 ILE CA C 28 65.093 64.799 0.294 1
1 266 . 11 1 1 A 28 28 ILE CB C 28 38.473 37.814 0.659 1
1 270 . 11 1 1 A 28 28 ILE N N 28 119.450 119.620 -0.170 1
1 271 . 11 1 1 A 29 29 HIS H H 29 7.774 8.237 -0.463 1
1 272 . 11 1 1 A 29 29 HIS HA H 29 4.210 4.215 -0.005 1
1 277 . 11 1 1 A 29 29 HIS C C 29 178.135 176.969 1.166 1
1 278 . 11 1 1 A 29 29 HIS CA C 29 59.320 59.188 0.132 1
1 279 . 11 1 1 A 29 29 HIS CB C 29 28.240 29.768 -1.528 1
1 282 . 11 1 1 A 29 29 HIS N N 29 119.901 120.806 -0.905 1
1 283 . 11 1 1 A 30 30 MET H H 30 8.859 8.392 0.467 1
1 284 . 11 1 1 A 30 30 MET HA H 30 4.061 3.807 0.254 1
1 292 . 11 1 1 A 30 30 MET C C 30 178.435 178.729 -0.294 1
1 293 . 11 1 1 A 30 30 MET CA C 30 58.334 58.843 -0.509 1
1 294 . 11 1 1 A 30 30 MET CB C 30 30.760 32.370 -1.610 1
1 297 . 11 1 1 A 30 30 MET N N 30 119.643 117.013 2.630 1
1 298 . 11 1 1 A 31 31 ARG H H 31 7.334 7.786 -0.452 1
1 299 . 11 1 1 A 31 31 ARG HA H 31 4.214 4.106 0.108 1
1 306 . 11 1 1 A 31 31 ARG C C 31 178.442 177.840 0.602 1
1 307 . 11 1 1 A 31 31 ARG CA C 31 58.742 59.663 -0.921 1
1 308 . 11 1 1 A 31 31 ARG CB C 31 29.921 30.061 -0.140 1
1 311 . 11 1 1 A 31 31 ARG N N 31 117.860 119.030 -1.170 1
1 312 . 11 1 1 A 32 32 THR H H 32 7.892 8.066 -0.174 1
1 313 . 11 1 1 A 32 32 THR HA H 32 4.129 3.901 0.228 1
1 318 . 11 1 1 A 32 32 THR C C 32 175.441 176.994 -1.553 1
1 319 . 11 1 1 A 32 32 THR CA C 32 63.963 65.248 -1.285 1
1 320 . 11 1 1 A 32 32 THR CB C 32 69.388 67.490 1.898 1
1 322 . 11 1 1 A 32 32 THR N N 32 109.787 112.112 -2.325 1
1 323 . 11 1 1 A 33 33 HIS H H 33 7.270 7.578 -0.308 1
1 324 . 11 1 1 A 33 33 HIS HA H 33 4.921 4.292 0.629 1
1 329 . 11 1 1 A 33 33 HIS C C 33 175.596 175.759 -0.163 1
1 330 . 11 1 1 A 33 33 HIS CA C 33 55.469 59.157 -3.688 1
1 331 . 11 1 1 A 33 33 HIS CB C 33 28.877 29.991 -1.114 1
1 334 . 11 1 1 A 33 33 HIS N N 33 118.636 119.124 -0.488 1
1 335 . 11 1 1 A 34 34 THR H H 34 7.842 7.911 -0.069 1
1 336 . 11 1 1 A 34 34 THR HA H 34 4.377 4.165 0.212 1
1 341 . 11 1 1 A 34 34 THR C C 34 175.388 174.916 0.472 1
1 342 . 11 1 1 A 34 34 THR CA C 34 62.369 61.995 0.374 1
1 343 . 11 1 1 A 34 34 THR CB C 34 69.883 69.773 0.110 1
1 345 . 11 1 1 A 34 34 THR N N 34 112.003 111.191 0.812 1
1 346 . 11 1 1 A 35 35 GLY H H 35 8.325 8.464 -0.139 1
1 347 . 11 1 1 A 35 35 GLY HA2 H 35 4.037 3.955 0.082 1
1 348 . 11 1 1 A 35 35 GLY HA3 H 35 3.961 3.959 0.002 1
1 349 . 11 1 1 A 35 35 GLY C C 35 174.027 173.535 0.492 1
1 350 . 11 1 1 A 35 35 GLY CA C 35 45.420 45.811 -0.391 1
1 351 . 11 1 1 A 35 35 GLY N N 35 110.924 108.825 2.099 1
1 352 . 11 1 1 A 36 36 GLU H H 36 8.134 8.752 -0.618 1
1 353 . 11 1 1 A 36 36 GLU HA H 36 4.252 5.077 -0.825 1
1 358 . 11 1 1 A 36 36 GLU C C 36 176.217 175.305 0.912 1
1 359 . 11 1 1 A 36 36 GLU CA C 36 56.529 54.301 2.228 1
1 360 . 11 1 1 A 36 36 GLU CB C 36 30.526 33.051 -2.525 1
1 362 . 11 1 1 A 36 36 GLU N N 36 120.646 121.549 -0.903 1
1 363 . 11 1 1 A 37 37 LYS H H 37 8.442 8.277 0.165 1
1 364 . 11 1 1 A 37 37 LYS HA H 37 4.624 4.254 0.370 1
1 373 . 11 1 1 A 37 37 LYS C C 37 174.470 176.883 -2.413 1
1 374 . 11 1 1 A 37 37 LYS CA C 37 54.105 55.468 -1.363 1
1 375 . 11 1 1 A 37 37 LYS CB C 37 32.513 32.516 -0.003 1
1 379 . 11 1 1 A 37 37 LYS N N 37 123.934 117.669 6.265 1
1 380 . 11 1 1 A 38 38 PRO HA H 38 4.472 4.394 0.078 1
1 387 . 11 1 1 A 38 38 PRO C C 38 176.963 176.914 0.049 1
1 388 . 11 1 1 A 38 38 PRO CA C 38 63.242 65.157 -1.915 1
1 389 . 11 1 1 A 38 38 PRO CB C 38 32.184 31.969 0.215 1
1 392 . 11 1 1 A 39 39 SER H H 39 8.479 8.181 0.298 1
1 393 . 11 1 1 A 39 39 SER HA H 39 4.478 4.571 -0.093 1
1 396 . 11 1 1 A 39 39 SER C C 39 174.643 174.254 0.389 1
1 397 . 11 1 1 A 39 39 SER CA C 39 58.498 57.349 1.149 1
1 398 . 11 1 1 A 39 39 SER CB C 39 63.958 63.787 0.171 1
1 399 . 11 1 1 A 39 39 SER N N 39 116.485 110.877 5.608 1
1 400 . 11 1 1 A 40 40 GLY H H 40 8.234 8.427 -0.193 1
1 401 . 11 1 1 A 40 40 GLY HA2 H 40 4.173 4.062 0.111 1
1 402 . 11 1 1 A 40 40 GLY HA3 H 40 4.122 4.063 0.059 1
1 403 . 11 1 1 A 40 40 GLY C C 40 171.735 174.855 -3.120 1
1 404 . 11 1 1 A 40 40 GLY CA C 40 44.655 46.123 -1.468 1
1 405 . 11 1 1 A 40 40 GLY N N 40 110.650 111.417 -0.767 1
1 406 . 11 1 1 A 41 41 PRO HA H 41 4.474 4.316 0.158 1
1 413 . 11 1 1 A 41 41 PRO CA C 41 63.258 64.973 -1.715 1
1 414 . 11 1 1 A 41 41 PRO CB C 41 32.111 31.875 0.236 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.954 4.178 -0.224 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.954 4.181 -0.227 1
1 3 . 12 1 1 A 7 7 GLY C C 7 173.934 173.980 -0.046 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.271 45.729 -0.458 1
1 5 . 12 1 1 A 8 8 VAL H H 8 7.897 8.057 -0.160 1
1 6 . 12 1 1 A 8 8 VAL HA H 8 4.047 4.229 -0.182 1
1 14 . 12 1 1 A 8 8 VAL C C 8 175.891 175.867 0.024 1
1 15 . 12 1 1 A 8 8 VAL CA C 8 62.520 61.573 0.947 1
1 16 . 12 1 1 A 8 8 VAL CB C 8 32.445 31.119 1.326 1
1 19 . 12 1 1 A 8 8 VAL N N 8 119.114 121.644 -2.530 1
1 20 . 12 1 1 A 9 9 LYS H H 9 8.299 7.800 0.499 1
1 21 . 12 1 1 A 9 9 LYS HA H 9 4.522 4.722 -0.200 1
1 28 . 12 1 1 A 9 9 LYS C C 9 173.981 176.369 -2.388 1
1 29 . 12 1 1 A 9 9 LYS CA C 9 53.793 53.861 -0.068 1
1 30 . 12 1 1 A 9 9 LYS CB C 9 33.011 32.385 0.626 1
1 34 . 12 1 1 A 9 9 LYS N N 9 125.248 120.830 4.418 1
1 35 . 12 1 1 A 10 10 PRO HA H 10 4.290 4.437 -0.147 1
1 42 . 12 1 1 A 10 10 PRO C C 10 176.364 175.819 0.545 1
1 43 . 12 1 1 A 10 10 PRO CA C 10 63.426 64.144 -0.718 1
1 44 . 12 1 1 A 10 10 PRO CB C 10 32.209 31.484 0.725 1
1 47 . 12 1 1 A 11 11 TYR H H 11 7.981 8.048 -0.067 1
1 48 . 12 1 1 A 11 11 TYR HA H 11 4.659 4.990 -0.331 1
1 55 . 12 1 1 A 11 11 TYR C C 11 175.225 176.316 -1.091 1
1 56 . 12 1 1 A 11 11 TYR CA C 11 57.195 57.273 -0.078 1
1 57 . 12 1 1 A 11 11 TYR CB C 11 38.185 39.098 -0.913 1
1 62 . 12 1 1 A 11 11 TYR N N 11 117.941 116.353 1.588 1
1 63 . 12 1 1 A 12 12 GLY H H 12 8.475 8.047 0.428 1
1 64 . 12 1 1 A 12 12 GLY HA2 H 12 3.630 3.953 -0.323 1
1 65 . 12 1 1 A 12 12 GLY HA3 H 12 4.709 3.971 0.738 1
1 66 . 12 1 1 A 12 12 GLY C C 12 172.847 174.151 -1.304 1
1 67 . 12 1 1 A 12 12 GLY CA C 12 44.512 46.007 -1.495 1
1 68 . 12 1 1 A 12 12 GLY N N 12 111.547 107.931 3.616 1
1 69 . 12 1 1 A 13 13 CYS H H 13 9.098 8.367 0.731 1
1 70 . 12 1 1 A 13 13 CYS HA H 13 4.701 4.657 0.044 1
1 73 . 12 1 1 A 13 13 CYS C C 13 177.769 175.610 2.159 1
1 74 . 12 1 1 A 13 13 CYS CA C 13 59.277 60.140 -0.863 1
1 75 . 12 1 1 A 13 13 CYS CB C 13 30.109 28.706 1.403 1
1 76 . 12 1 1 A 13 13 CYS N N 13 124.934 124.042 0.892 1
1 77 . 12 1 1 A 14 14 SER H H 14 9.169 8.744 0.425 1
1 78 . 12 1 1 A 14 14 SER HA H 14 4.273 4.698 -0.425 1
1 81 . 12 1 1 A 14 14 SER C C 14 174.567 174.579 -0.012 1
1 82 . 12 1 1 A 14 14 SER CA C 14 60.801 57.923 2.878 1
1 83 . 12 1 1 A 14 14 SER CB C 14 63.065 62.535 0.530 1
1 84 . 12 1 1 A 14 14 SER N N 14 127.617 122.712 4.905 1
1 85 . 12 1 1 A 15 15 GLU H H 15 9.031 7.596 1.435 1
1 86 . 12 1 1 A 15 15 GLU HA H 15 4.274 4.509 -0.235 1
1 91 . 12 1 1 A 15 15 GLU C C 15 177.149 177.887 -0.738 1
1 92 . 12 1 1 A 15 15 GLU CA C 15 57.715 57.070 0.645 1
1 93 . 12 1 1 A 15 15 GLU CB C 15 29.512 32.179 -2.667 1
1 95 . 12 1 1 A 15 15 GLU N N 15 123.683 120.250 3.433 1
1 96 . 12 1 1 A 16 16 CYS H H 16 8.253 7.688 0.565 1
1 97 . 12 1 1 A 16 16 CYS HA H 16 5.178 4.750 0.428 1
1 100 . 12 1 1 A 16 16 CYS C C 16 176.203 175.430 0.773 1
1 101 . 12 1 1 A 16 16 CYS CA C 16 58.466 59.497 -1.031 1
1 102 . 12 1 1 A 16 16 CYS CB C 16 32.439 30.010 2.429 1
1 103 . 12 1 1 A 16 16 CYS N N 16 116.046 115.113 0.933 1
1 104 . 12 1 1 A 17 17 GLY H H 17 8.087 8.023 0.064 1
1 105 . 12 1 1 A 17 17 GLY HA2 H 17 3.882 4.059 -0.177 1
1 106 . 12 1 1 A 17 17 GLY HA3 H 17 4.225 4.062 0.163 1
1 107 . 12 1 1 A 17 17 GLY C C 17 174.332 173.846 0.486 1
1 108 . 12 1 1 A 17 17 GLY CA C 17 46.224 45.689 0.535 1
1 109 . 12 1 1 A 17 17 GLY N N 17 112.453 109.380 3.073 1
1 110 . 12 1 1 A 18 18 LYS H H 18 7.998 7.767 0.231 1
1 111 . 12 1 1 A 18 18 LYS HA H 18 4.011 4.753 -0.742 1
1 120 . 12 1 1 A 18 18 LYS C C 18 173.574 174.328 -0.754 1
1 121 . 12 1 1 A 18 18 LYS CA C 18 58.142 54.036 4.106 1
1 122 . 12 1 1 A 18 18 LYS CB C 18 33.979 35.917 -1.938 1
1 126 . 12 1 1 A 18 18 LYS N N 18 123.407 119.056 4.351 1
1 127 . 12 1 1 A 19 19 ALA H H 19 7.768 8.071 -0.303 1
1 128 . 12 1 1 A 19 19 ALA HA H 19 5.057 5.051 0.006 1
1 132 . 12 1 1 A 19 19 ALA C C 19 176.149 174.694 1.455 1
1 133 . 12 1 1 A 19 19 ALA CA C 19 50.649 50.118 0.531 1
1 134 . 12 1 1 A 19 19 ALA CB C 19 22.135 23.505 -1.370 1
1 135 . 12 1 1 A 19 19 ALA N N 19 122.869 120.157 2.712 1
1 136 . 12 1 1 A 20 20 PHE H H 20 8.400 8.932 -0.532 1
1 137 . 12 1 1 A 20 20 PHE HA H 20 4.787 4.966 -0.179 1
1 145 . 12 1 1 A 20 20 PHE C C 20 175.996 175.005 0.991 1
1 146 . 12 1 1 A 20 20 PHE CA C 20 57.402 56.313 1.089 1
1 147 . 12 1 1 A 20 20 PHE CB C 20 44.177 43.553 0.624 1
1 153 . 12 1 1 A 20 20 PHE N N 20 116.260 116.590 -0.330 1
1 154 . 12 1 1 A 21 21 ARG H H 21 9.316 8.818 0.498 1
1 155 . 12 1 1 A 21 21 ARG HA H 21 4.478 4.689 -0.211 1
1 162 . 12 1 1 A 21 21 ARG C C 21 175.389 175.796 -0.407 1
1 163 . 12 1 1 A 21 21 ARG CA C 21 57.837 56.238 1.599 1
1 164 . 12 1 1 A 21 21 ARG CB C 21 31.184 30.638 0.546 1
1 167 . 12 1 1 A 21 21 ARG N N 21 119.000 120.495 -1.495 1
1 168 . 12 1 1 A 22 22 SER H H 22 7.474 7.887 -0.413 1
1 169 . 12 1 1 A 22 22 SER HA H 22 4.696 4.884 -0.188 1
1 172 . 12 1 1 A 22 22 SER C C 22 173.464 173.915 -0.451 1
1 173 . 12 1 1 A 22 22 SER CA C 22 55.901 57.822 -1.921 1
1 174 . 12 1 1 A 22 22 SER CB C 22 66.117 66.922 -0.805 1
1 175 . 12 1 1 A 22 22 SER N N 22 109.845 113.877 -4.032 1
1 176 . 12 1 1 A 23 23 LYS H H 23 8.388 8.447 -0.059 1
1 177 . 12 1 1 A 23 23 LYS HA H 23 3.324 3.052 0.272 1
1 186 . 12 1 1 A 23 23 LYS C C 23 178.109 177.788 0.321 1
1 187 . 12 1 1 A 23 23 LYS CA C 23 58.994 59.767 -0.773 1
1 188 . 12 1 1 A 23 23 LYS CB C 23 31.895 31.815 0.080 1
1 192 . 12 1 1 A 23 23 LYS N N 23 125.361 125.483 -0.122 1
1 193 . 12 1 1 A 24 24 SER H H 24 8.217 7.899 0.318 1
1 194 . 12 1 1 A 24 24 SER HA H 24 3.980 3.987 -0.007 1
1 197 . 12 1 1 A 24 24 SER C C 24 176.910 176.587 0.323 1
1 198 . 12 1 1 A 24 24 SER CA C 24 61.457 62.124 -0.667 1
1 199 . 12 1 1 A 24 24 SER CB C 24 61.986 62.496 -0.510 1
1 200 . 12 1 1 A 24 24 SER N N 24 113.056 116.650 -3.594 1
1 201 . 12 1 1 A 25 25 TYR H H 25 7.270 8.156 -0.886 1
1 202 . 12 1 1 A 25 25 TYR HA H 25 4.258 4.358 -0.100 1
1 209 . 12 1 1 A 25 25 TYR C C 25 178.363 177.793 0.570 1
1 210 . 12 1 1 A 25 25 TYR CA C 25 59.989 60.827 -0.838 1
1 211 . 12 1 1 A 25 25 TYR CB C 25 37.656 38.191 -0.535 1
1 216 . 12 1 1 A 25 25 TYR N N 25 119.562 120.123 -0.561 1
1 217 . 12 1 1 A 26 26 LEU H H 26 7.354 7.457 -0.103 1
1 218 . 12 1 1 A 26 26 LEU HA H 26 3.466 2.274 1.192 1
1 228 . 12 1 1 A 26 26 LEU C C 26 177.513 178.329 -0.816 1
1 229 . 12 1 1 A 26 26 LEU CA C 26 58.142 57.678 0.464 1
1 230 . 12 1 1 A 26 26 LEU CB C 26 40.723 41.392 -0.669 1
1 234 . 12 1 1 A 26 26 LEU N N 26 122.537 120.540 1.997 1
1 235 . 12 1 1 A 27 27 ILE H H 27 8.244 7.907 0.337 1
1 236 . 12 1 1 A 27 27 ILE HA H 27 3.594 3.509 0.085 1
1 246 . 12 1 1 A 27 27 ILE C C 27 179.045 177.785 1.260 1
1 247 . 12 1 1 A 27 27 ILE CA C 27 65.264 65.150 0.114 1
1 248 . 12 1 1 A 27 27 ILE CB C 27 37.650 37.612 0.038 1
1 252 . 12 1 1 A 27 27 ILE N N 27 120.012 119.391 0.621 1
1 253 . 12 1 1 A 28 28 ILE H H 28 7.350 7.910 -0.560 1
1 254 . 12 1 1 A 28 28 ILE HA H 28 3.541 3.807 -0.266 1
1 264 . 12 1 1 A 28 28 ILE C C 28 179.008 177.206 1.802 1
1 265 . 12 1 1 A 28 28 ILE CA C 28 65.093 63.911 1.182 1
1 266 . 12 1 1 A 28 28 ILE CB C 28 38.473 37.669 0.804 1
1 270 . 12 1 1 A 28 28 ILE N N 28 119.450 121.670 -2.220 1
1 271 . 12 1 1 A 29 29 HIS H H 29 7.774 8.223 -0.449 1
1 272 . 12 1 1 A 29 29 HIS HA H 29 4.210 4.405 -0.195 1
1 277 . 12 1 1 A 29 29 HIS C C 29 178.135 177.325 0.810 1
1 278 . 12 1 1 A 29 29 HIS CA C 29 59.320 58.678 0.642 1
1 279 . 12 1 1 A 29 29 HIS CB C 29 28.240 30.891 -2.651 1
1 282 . 12 1 1 A 29 29 HIS N N 29 119.901 121.912 -2.011 1
1 283 . 12 1 1 A 30 30 MET H H 30 8.859 8.715 0.144 1
1 284 . 12 1 1 A 30 30 MET HA H 30 4.061 4.207 -0.146 1
1 292 . 12 1 1 A 30 30 MET C C 30 178.435 177.964 0.471 1
1 293 . 12 1 1 A 30 30 MET CA C 30 58.334 57.728 0.606 1
1 294 . 12 1 1 A 30 30 MET CB C 30 30.760 30.918 -0.158 1
1 297 . 12 1 1 A 30 30 MET N N 30 119.643 116.800 2.843 1
1 298 . 12 1 1 A 31 31 ARG H H 31 7.334 8.512 -1.178 1
1 299 . 12 1 1 A 31 31 ARG HA H 31 4.214 4.101 0.113 1
1 306 . 12 1 1 A 31 31 ARG C C 31 178.442 178.073 0.369 1
1 307 . 12 1 1 A 31 31 ARG CA C 31 58.742 58.747 -0.005 1
1 308 . 12 1 1 A 31 31 ARG CB C 31 29.921 29.954 -0.033 1
1 311 . 12 1 1 A 31 31 ARG N N 31 117.860 118.908 -1.048 1
1 312 . 12 1 1 A 32 32 THR H H 32 7.892 7.507 0.385 1
1 313 . 12 1 1 A 32 32 THR HA H 32 4.129 4.161 -0.032 1
1 318 . 12 1 1 A 32 32 THR C C 32 175.441 176.347 -0.906 1
1 319 . 12 1 1 A 32 32 THR CA C 32 63.963 64.611 -0.648 1
1 320 . 12 1 1 A 32 32 THR CB C 32 69.388 68.998 0.390 1
1 322 . 12 1 1 A 32 32 THR N N 32 109.787 114.530 -4.743 1
1 323 . 12 1 1 A 33 33 HIS H H 33 7.270 7.765 -0.495 1
1 324 . 12 1 1 A 33 33 HIS HA H 33 4.921 4.357 0.564 1
1 329 . 12 1 1 A 33 33 HIS C C 33 175.596 175.861 -0.265 1
1 330 . 12 1 1 A 33 33 HIS CA C 33 55.469 58.602 -3.133 1
1 331 . 12 1 1 A 33 33 HIS CB C 33 28.877 30.707 -1.830 1
1 334 . 12 1 1 A 33 33 HIS N N 33 118.636 117.622 1.014 1
1 335 . 12 1 1 A 34 34 THR H H 34 7.842 8.112 -0.270 1
1 336 . 12 1 1 A 34 34 THR HA H 34 4.377 4.722 -0.345 1
1 341 . 12 1 1 A 34 34 THR C C 34 175.388 173.309 2.079 1
1 342 . 12 1 1 A 34 34 THR CA C 34 62.369 59.858 2.511 1
1 343 . 12 1 1 A 34 34 THR CB C 34 69.883 70.375 -0.492 1
1 345 . 12 1 1 A 34 34 THR N N 34 112.003 111.414 0.589 1
1 346 . 12 1 1 A 35 35 GLY H H 35 8.325 8.457 -0.132 1
1 347 . 12 1 1 A 35 35 GLY HA2 H 35 4.037 4.228 -0.191 1
1 348 . 12 1 1 A 35 35 GLY HA3 H 35 3.961 4.232 -0.271 1
1 349 . 12 1 1 A 35 35 GLY C C 35 174.027 172.635 1.392 1
1 350 . 12 1 1 A 35 35 GLY CA C 35 45.420 46.311 -0.891 1
1 351 . 12 1 1 A 35 35 GLY N N 35 110.924 114.777 -3.853 1
1 352 . 12 1 1 A 36 36 GLU H H 36 8.134 8.407 -0.273 1
1 353 . 12 1 1 A 36 36 GLU HA H 36 4.252 4.463 -0.211 1
1 358 . 12 1 1 A 36 36 GLU C C 36 176.217 175.025 1.192 1
1 359 . 12 1 1 A 36 36 GLU CA C 36 56.529 55.483 1.046 1
1 360 . 12 1 1 A 36 36 GLU CB C 36 30.526 30.031 0.495 1
1 362 . 12 1 1 A 36 36 GLU N N 36 120.646 124.241 -3.595 1
1 363 . 12 1 1 A 37 37 LYS H H 37 8.442 7.462 0.980 1
1 364 . 12 1 1 A 37 37 LYS HA H 37 4.624 4.764 -0.140 1
1 373 . 12 1 1 A 37 37 LYS C C 37 174.470 174.668 -0.198 1
1 374 . 12 1 1 A 37 37 LYS CA C 37 54.105 53.298 0.807 1
1 375 . 12 1 1 A 37 37 LYS CB C 37 32.513 35.669 -3.156 1
1 379 . 12 1 1 A 37 37 LYS N N 37 123.934 121.482 2.452 1
1 380 . 12 1 1 A 38 38 PRO HA H 38 4.472 4.677 -0.205 1
1 387 . 12 1 1 A 38 38 PRO C C 38 176.963 176.329 0.634 1
1 388 . 12 1 1 A 38 38 PRO CA C 38 63.242 62.142 1.100 1
1 389 . 12 1 1 A 38 38 PRO CB C 38 32.184 29.618 2.566 1
1 392 . 12 1 1 A 39 39 SER H H 39 8.479 8.643 -0.164 1
1 393 . 12 1 1 A 39 39 SER HA H 39 4.478 4.445 0.033 1
1 396 . 12 1 1 A 39 39 SER C C 39 174.643 175.128 -0.485 1
1 397 . 12 1 1 A 39 39 SER CA C 39 58.498 60.100 -1.602 1
1 398 . 12 1 1 A 39 39 SER CB C 39 63.958 63.834 0.124 1
1 399 . 12 1 1 A 39 39 SER N N 39 116.485 117.814 -1.329 1
1 400 . 12 1 1 A 40 40 GLY H H 40 8.234 7.719 0.515 1
1 401 . 12 1 1 A 40 40 GLY HA2 H 40 4.173 4.128 0.045 1
1 402 . 12 1 1 A 40 40 GLY HA3 H 40 4.122 4.130 -0.008 1
1 403 . 12 1 1 A 40 40 GLY C C 40 171.735 173.627 -1.892 1
1 404 . 12 1 1 A 40 40 GLY CA C 40 44.655 44.246 0.409 1
1 405 . 12 1 1 A 40 40 GLY N N 40 110.650 106.912 3.738 1
1 406 . 12 1 1 A 41 41 PRO HA H 41 4.474 4.551 -0.077 1
1 413 . 12 1 1 A 41 41 PRO CA C 41 63.258 63.690 -0.432 1
1 414 . 12 1 1 A 41 41 PRO CB C 41 32.111 31.818 0.293 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.954 4.071 -0.117 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.954 4.071 -0.117 1
1 3 . 13 1 1 A 7 7 GLY C C 7 173.934 174.696 -0.762 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.271 44.406 0.865 1
1 5 . 13 1 1 A 8 8 VAL H H 8 7.897 8.201 -0.304 1
1 6 . 13 1 1 A 8 8 VAL HA H 8 4.047 4.033 0.014 1
1 14 . 13 1 1 A 8 8 VAL C C 8 175.891 176.445 -0.554 1
1 15 . 13 1 1 A 8 8 VAL CA C 8 62.520 64.050 -1.530 1
1 16 . 13 1 1 A 8 8 VAL CB C 8 32.445 32.484 -0.039 1
1 19 . 13 1 1 A 8 8 VAL N N 8 119.114 118.019 1.095 1
1 20 . 13 1 1 A 9 9 LYS H H 9 8.299 7.376 0.923 1
1 21 . 13 1 1 A 9 9 LYS HA H 9 4.522 4.434 0.088 1
1 28 . 13 1 1 A 9 9 LYS C C 9 173.981 176.314 -2.333 1
1 29 . 13 1 1 A 9 9 LYS CA C 9 53.793 55.181 -1.388 1
1 30 . 13 1 1 A 9 9 LYS CB C 9 33.011 31.812 1.199 1
1 34 . 13 1 1 A 9 9 LYS N N 9 125.248 122.103 3.145 1
1 35 . 13 1 1 A 10 10 PRO HA H 10 4.290 4.366 -0.076 1
1 42 . 13 1 1 A 10 10 PRO C C 10 176.364 175.908 0.456 1
1 43 . 13 1 1 A 10 10 PRO CA C 10 63.426 64.249 -0.823 1
1 44 . 13 1 1 A 10 10 PRO CB C 10 32.209 31.454 0.755 1
1 47 . 13 1 1 A 11 11 TYR H H 11 7.981 8.040 -0.059 1
1 48 . 13 1 1 A 11 11 TYR HA H 11 4.659 4.917 -0.258 1
1 55 . 13 1 1 A 11 11 TYR C C 11 175.225 176.166 -0.941 1
1 56 . 13 1 1 A 11 11 TYR CA C 11 57.195 57.475 -0.280 1
1 57 . 13 1 1 A 11 11 TYR CB C 11 38.185 39.121 -0.936 1
1 62 . 13 1 1 A 11 11 TYR N N 11 117.941 116.387 1.554 1
1 63 . 13 1 1 A 12 12 GLY H H 12 8.475 7.854 0.621 1
1 64 . 13 1 1 A 12 12 GLY HA2 H 12 3.630 3.989 -0.359 1
1 65 . 13 1 1 A 12 12 GLY HA3 H 12 4.709 4.073 0.636 1
1 66 . 13 1 1 A 12 12 GLY C C 12 172.847 173.971 -1.124 1
1 67 . 13 1 1 A 12 12 GLY CA C 12 44.512 45.990 -1.478 1
1 68 . 13 1 1 A 12 12 GLY N N 12 111.547 107.966 3.581 1
1 69 . 13 1 1 A 13 13 CYS H H 13 9.098 8.878 0.220 1
1 70 . 13 1 1 A 13 13 CYS HA H 13 4.701 4.546 0.155 1
1 73 . 13 1 1 A 13 13 CYS C C 13 177.769 175.661 2.108 1
1 74 . 13 1 1 A 13 13 CYS CA C 13 59.277 60.092 -0.815 1
1 75 . 13 1 1 A 13 13 CYS CB C 13 30.109 28.766 1.343 1
1 76 . 13 1 1 A 13 13 CYS N N 13 124.934 125.047 -0.113 1
1 77 . 13 1 1 A 14 14 SER H H 14 9.169 8.697 0.472 1
1 78 . 13 1 1 A 14 14 SER HA H 14 4.273 4.717 -0.444 1
1 81 . 13 1 1 A 14 14 SER C C 14 174.567 174.555 0.012 1
1 82 . 13 1 1 A 14 14 SER CA C 14 60.801 57.907 2.894 1
1 83 . 13 1 1 A 14 14 SER CB C 14 63.065 62.597 0.468 1
1 84 . 13 1 1 A 14 14 SER N N 14 127.617 122.589 5.028 1
1 85 . 13 1 1 A 15 15 GLU H H 15 9.031 8.083 0.948 1
1 86 . 13 1 1 A 15 15 GLU HA H 15 4.274 4.537 -0.263 1
1 91 . 13 1 1 A 15 15 GLU C C 15 177.149 177.841 -0.692 1
1 92 . 13 1 1 A 15 15 GLU CA C 15 57.715 57.132 0.583 1
1 93 . 13 1 1 A 15 15 GLU CB C 15 29.512 32.398 -2.886 1
1 95 . 13 1 1 A 15 15 GLU N N 15 123.683 120.272 3.411 1
1 96 . 13 1 1 A 16 16 CYS H H 16 8.253 7.570 0.683 1
1 97 . 13 1 1 A 16 16 CYS HA H 16 5.178 4.710 0.468 1
1 100 . 13 1 1 A 16 16 CYS C C 16 176.203 175.411 0.792 1
1 101 . 13 1 1 A 16 16 CYS CA C 16 58.466 59.560 -1.094 1
1 102 . 13 1 1 A 16 16 CYS CB C 16 32.439 29.926 2.513 1
1 103 . 13 1 1 A 16 16 CYS N N 16 116.046 114.771 1.275 1
1 104 . 13 1 1 A 17 17 GLY H H 17 8.087 8.071 0.016 1
1 105 . 13 1 1 A 17 17 GLY HA2 H 17 3.882 4.074 -0.192 1
1 106 . 13 1 1 A 17 17 GLY HA3 H 17 4.225 4.081 0.144 1
1 107 . 13 1 1 A 17 17 GLY C C 17 174.332 174.019 0.313 1
1 108 . 13 1 1 A 17 17 GLY CA C 17 46.224 45.474 0.750 1
1 109 . 13 1 1 A 17 17 GLY N N 17 112.453 109.601 2.852 1
1 110 . 13 1 1 A 18 18 LYS H H 18 7.998 7.877 0.121 1
1 111 . 13 1 1 A 18 18 LYS HA H 18 4.011 4.715 -0.704 1
1 120 . 13 1 1 A 18 18 LYS C C 18 173.574 175.046 -1.472 1
1 121 . 13 1 1 A 18 18 LYS CA C 18 58.142 53.936 4.206 1
1 122 . 13 1 1 A 18 18 LYS CB C 18 33.979 35.200 -1.221 1
1 126 . 13 1 1 A 18 18 LYS N N 18 123.407 118.916 4.491 1
1 127 . 13 1 1 A 19 19 ALA H H 19 7.768 8.269 -0.501 1
1 128 . 13 1 1 A 19 19 ALA HA H 19 5.057 5.437 -0.380 1
1 132 . 13 1 1 A 19 19 ALA C C 19 176.149 174.979 1.170 1
1 133 . 13 1 1 A 19 19 ALA CA C 19 50.649 49.897 0.752 1
1 134 . 13 1 1 A 19 19 ALA CB C 19 22.135 23.191 -1.056 1
1 135 . 13 1 1 A 19 19 ALA N N 19 122.869 121.449 1.420 1
1 136 . 13 1 1 A 20 20 PHE H H 20 8.400 8.929 -0.529 1
1 137 . 13 1 1 A 20 20 PHE HA H 20 4.787 4.746 0.041 1
1 145 . 13 1 1 A 20 20 PHE C C 20 175.996 174.795 1.201 1
1 146 . 13 1 1 A 20 20 PHE CA C 20 57.402 56.251 1.151 1
1 147 . 13 1 1 A 20 20 PHE CB C 20 44.177 43.231 0.946 1
1 153 . 13 1 1 A 20 20 PHE N N 20 116.260 116.521 -0.261 1
1 154 . 13 1 1 A 21 21 ARG H H 21 9.316 8.804 0.512 1
1 155 . 13 1 1 A 21 21 ARG HA H 21 4.478 4.756 -0.278 1
1 162 . 13 1 1 A 21 21 ARG C C 21 175.389 175.475 -0.086 1
1 163 . 13 1 1 A 21 21 ARG CA C 21 57.837 55.916 1.921 1
1 164 . 13 1 1 A 21 21 ARG CB C 21 31.184 31.218 -0.034 1
1 167 . 13 1 1 A 21 21 ARG N N 21 119.000 124.916 -5.916 1
1 168 . 13 1 1 A 22 22 SER H H 22 7.474 7.703 -0.229 1
1 169 . 13 1 1 A 22 22 SER HA H 22 4.696 4.425 0.271 1
1 172 . 13 1 1 A 22 22 SER C C 22 173.464 173.794 -0.330 1
1 173 . 13 1 1 A 22 22 SER CA C 22 55.901 56.799 -0.898 1
1 174 . 13 1 1 A 22 22 SER CB C 22 66.117 65.323 0.794 1
1 175 . 13 1 1 A 22 22 SER N N 22 109.845 114.891 -5.046 1
1 176 . 13 1 1 A 23 23 LYS H H 23 8.388 8.178 0.210 1
1 177 . 13 1 1 A 23 23 LYS HA H 23 3.324 3.191 0.133 1
1 186 . 13 1 1 A 23 23 LYS C C 23 178.109 177.809 0.300 1
1 187 . 13 1 1 A 23 23 LYS CA C 23 58.994 59.643 -0.649 1
1 188 . 13 1 1 A 23 23 LYS CB C 23 31.895 32.441 -0.546 1
1 192 . 13 1 1 A 23 23 LYS N N 23 125.361 126.241 -0.880 1
1 193 . 13 1 1 A 24 24 SER H H 24 8.217 8.253 -0.036 1
1 194 . 13 1 1 A 24 24 SER HA H 24 3.980 4.226 -0.246 1
1 197 . 13 1 1 A 24 24 SER C C 24 176.910 176.621 0.289 1
1 198 . 13 1 1 A 24 24 SER CA C 24 61.457 61.639 -0.182 1
1 199 . 13 1 1 A 24 24 SER CB C 24 61.986 62.560 -0.574 1
1 200 . 13 1 1 A 24 24 SER N N 24 113.056 113.096 -0.040 1
1 201 . 13 1 1 A 25 25 TYR H H 25 7.270 8.007 -0.737 1
1 202 . 13 1 1 A 25 25 TYR HA H 25 4.258 4.176 0.082 1
1 209 . 13 1 1 A 25 25 TYR C C 25 178.363 177.107 1.256 1
1 210 . 13 1 1 A 25 25 TYR CA C 25 59.989 61.646 -1.657 1
1 211 . 13 1 1 A 25 25 TYR CB C 25 37.656 38.581 -0.925 1
1 216 . 13 1 1 A 25 25 TYR N N 25 119.562 123.644 -4.082 1
1 217 . 13 1 1 A 26 26 LEU H H 26 7.354 8.010 -0.656 1
1 218 . 13 1 1 A 26 26 LEU HA H 26 3.466 2.909 0.557 1
1 228 . 13 1 1 A 26 26 LEU C C 26 177.513 178.552 -1.039 1
1 229 . 13 1 1 A 26 26 LEU CA C 26 58.142 57.983 0.159 1
1 230 . 13 1 1 A 26 26 LEU CB C 26 40.723 41.438 -0.715 1
1 234 . 13 1 1 A 26 26 LEU N N 26 122.537 120.078 2.459 1
1 235 . 13 1 1 A 27 27 ILE H H 27 8.244 7.760 0.484 1
1 236 . 13 1 1 A 27 27 ILE HA H 27 3.594 3.553 0.041 1
1 246 . 13 1 1 A 27 27 ILE C C 27 179.045 177.897 1.148 1
1 247 . 13 1 1 A 27 27 ILE CA C 27 65.264 65.368 -0.104 1
1 248 . 13 1 1 A 27 27 ILE CB C 27 37.650 37.821 -0.171 1
1 252 . 13 1 1 A 27 27 ILE N N 27 120.012 119.636 0.376 1
1 253 . 13 1 1 A 28 28 ILE H H 28 7.350 7.873 -0.523 1
1 254 . 13 1 1 A 28 28 ILE HA H 28 3.541 3.847 -0.306 1
1 264 . 13 1 1 A 28 28 ILE C C 28 179.008 176.790 2.218 1
1 265 . 13 1 1 A 28 28 ILE CA C 28 65.093 63.834 1.259 1
1 266 . 13 1 1 A 28 28 ILE CB C 28 38.473 37.600 0.873 1
1 270 . 13 1 1 A 28 28 ILE N N 28 119.450 120.025 -0.575 1
1 271 . 13 1 1 A 29 29 HIS H H 29 7.774 8.300 -0.526 1
1 272 . 13 1 1 A 29 29 HIS HA H 29 4.210 4.377 -0.167 1
1 277 . 13 1 1 A 29 29 HIS C C 29 178.135 177.066 1.069 1
1 278 . 13 1 1 A 29 29 HIS CA C 29 59.320 58.182 1.138 1
1 279 . 13 1 1 A 29 29 HIS CB C 29 28.240 30.464 -2.224 1
1 282 . 13 1 1 A 29 29 HIS N N 29 119.901 122.025 -2.124 1
1 283 . 13 1 1 A 30 30 MET H H 30 8.859 8.128 0.731 1
1 284 . 13 1 1 A 30 30 MET HA H 30 4.061 4.189 -0.128 1
1 292 . 13 1 1 A 30 30 MET C C 30 178.435 177.857 0.578 1
1 293 . 13 1 1 A 30 30 MET CA C 30 58.334 58.664 -0.330 1
1 294 . 13 1 1 A 30 30 MET CB C 30 30.760 33.530 -2.770 1
1 297 . 13 1 1 A 30 30 MET N N 30 119.643 117.933 1.710 1
1 298 . 13 1 1 A 31 31 ARG H H 31 7.334 8.481 -1.147 1
1 299 . 13 1 1 A 31 31 ARG HA H 31 4.214 4.141 0.073 1
1 306 . 13 1 1 A 31 31 ARG C C 31 178.442 177.599 0.843 1
1 307 . 13 1 1 A 31 31 ARG CA C 31 58.742 58.665 0.077 1
1 308 . 13 1 1 A 31 31 ARG CB C 31 29.921 29.530 0.391 1
1 311 . 13 1 1 A 31 31 ARG N N 31 117.860 117.599 0.261 1
1 312 . 13 1 1 A 32 32 THR H H 32 7.892 7.837 0.055 1
1 313 . 13 1 1 A 32 32 THR HA H 32 4.129 3.983 0.146 1
1 318 . 13 1 1 A 32 32 THR C C 32 175.441 176.489 -1.048 1
1 319 . 13 1 1 A 32 32 THR CA C 32 63.963 65.558 -1.595 1
1 320 . 13 1 1 A 32 32 THR CB C 32 69.388 68.185 1.203 1
1 322 . 13 1 1 A 32 32 THR N N 32 109.787 111.679 -1.892 1
1 323 . 13 1 1 A 33 33 HIS H H 33 7.270 7.621 -0.351 1
1 324 . 13 1 1 A 33 33 HIS HA H 33 4.921 4.300 0.621 1
1 329 . 13 1 1 A 33 33 HIS C C 33 175.596 175.139 0.457 1
1 330 . 13 1 1 A 33 33 HIS CA C 33 55.469 58.824 -3.355 1
1 331 . 13 1 1 A 33 33 HIS CB C 33 28.877 29.838 -0.961 1
1 334 . 13 1 1 A 33 33 HIS N N 33 118.636 119.928 -1.292 1
1 335 . 13 1 1 A 34 34 THR H H 34 7.842 7.569 0.273 1
1 336 . 13 1 1 A 34 34 THR HA H 34 4.377 4.791 -0.414 1
1 341 . 13 1 1 A 34 34 THR C C 34 175.388 173.022 2.366 1
1 342 . 13 1 1 A 34 34 THR CA C 34 62.369 59.681 2.688 1
1 343 . 13 1 1 A 34 34 THR CB C 34 69.883 71.915 -2.032 1
1 345 . 13 1 1 A 34 34 THR N N 34 112.003 110.892 1.111 1
1 346 . 13 1 1 A 35 35 GLY H H 35 8.325 8.540 -0.215 1
1 347 . 13 1 1 A 35 35 GLY HA2 H 35 4.037 4.180 -0.143 1
1 348 . 13 1 1 A 35 35 GLY HA3 H 35 3.961 4.183 -0.222 1
1 349 . 13 1 1 A 35 35 GLY C C 35 174.027 173.503 0.524 1
1 350 . 13 1 1 A 35 35 GLY CA C 35 45.420 45.560 -0.140 1
1 351 . 13 1 1 A 35 35 GLY N N 35 110.924 112.578 -1.654 1
1 352 . 13 1 1 A 36 36 GLU H H 36 8.134 8.127 0.007 1
1 353 . 13 1 1 A 36 36 GLU HA H 36 4.252 4.837 -0.585 1
1 358 . 13 1 1 A 36 36 GLU C C 36 176.217 175.749 0.468 1
1 359 . 13 1 1 A 36 36 GLU CA C 36 56.529 54.349 2.180 1
1 360 . 13 1 1 A 36 36 GLU CB C 36 30.526 34.270 -3.744 1
1 362 . 13 1 1 A 36 36 GLU N N 36 120.646 119.354 1.292 1
1 363 . 13 1 1 A 37 37 LYS H H 37 8.442 8.360 0.082 1
1 364 . 13 1 1 A 37 37 LYS HA H 37 4.624 4.362 0.262 1
1 373 . 13 1 1 A 37 37 LYS C C 37 174.470 175.053 -0.583 1
1 374 . 13 1 1 A 37 37 LYS CA C 37 54.105 55.292 -1.187 1
1 375 . 13 1 1 A 37 37 LYS CB C 37 32.513 31.730 0.783 1
1 379 . 13 1 1 A 37 37 LYS N N 37 123.934 121.658 2.276 1
1 380 . 13 1 1 A 38 38 PRO HA H 38 4.472 4.707 -0.235 1
1 387 . 13 1 1 A 38 38 PRO C C 38 176.963 176.008 0.955 1
1 388 . 13 1 1 A 38 38 PRO CA C 38 63.242 62.865 0.377 1
1 389 . 13 1 1 A 38 38 PRO CB C 38 32.184 31.756 0.428 1
1 392 . 13 1 1 A 39 39 SER H H 39 8.479 8.771 -0.292 1
1 393 . 13 1 1 A 39 39 SER HA H 39 4.478 4.948 -0.470 1
1 396 . 13 1 1 A 39 39 SER C C 39 174.643 174.229 0.414 1
1 397 . 13 1 1 A 39 39 SER CA C 39 58.498 57.617 0.881 1
1 398 . 13 1 1 A 39 39 SER CB C 39 63.958 66.663 -2.705 1
1 399 . 13 1 1 A 39 39 SER N N 39 116.485 119.898 -3.413 1
1 400 . 13 1 1 A 40 40 GLY H H 40 8.234 8.606 -0.372 1
1 401 . 13 1 1 A 40 40 GLY HA2 H 40 4.173 4.006 0.167 1
1 402 . 13 1 1 A 40 40 GLY HA3 H 40 4.122 4.007 0.115 1
1 403 . 13 1 1 A 40 40 GLY C C 40 171.735 173.344 -1.609 1
1 404 . 13 1 1 A 40 40 GLY CA C 40 44.655 45.119 -0.464 1
1 405 . 13 1 1 A 40 40 GLY N N 40 110.650 110.031 0.619 1
1 406 . 13 1 1 A 41 41 PRO HA H 41 4.474 4.631 -0.157 1
1 413 . 13 1 1 A 41 41 PRO CA C 41 63.258 62.707 0.551 1
1 414 . 13 1 1 A 41 41 PRO CB C 41 32.111 33.434 -1.323 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.954 3.887 0.067 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.954 3.887 0.067 1
1 3 . 14 1 1 A 7 7 GLY C C 7 173.934 174.466 -0.532 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.271 47.101 -1.830 1
1 5 . 14 1 1 A 8 8 VAL H H 8 7.897 7.662 0.235 1
1 6 . 14 1 1 A 8 8 VAL HA H 8 4.047 4.310 -0.263 1
1 14 . 14 1 1 A 8 8 VAL C C 8 175.891 175.030 0.861 1
1 15 . 14 1 1 A 8 8 VAL CA C 8 62.520 61.342 1.178 1
1 16 . 14 1 1 A 8 8 VAL CB C 8 32.445 34.324 -1.879 1
1 19 . 14 1 1 A 8 8 VAL N N 8 119.114 119.650 -0.536 1
1 20 . 14 1 1 A 9 9 LYS H H 9 8.299 8.786 -0.487 1
1 21 . 14 1 1 A 9 9 LYS HA H 9 4.522 4.578 -0.056 1
1 28 . 14 1 1 A 9 9 LYS C C 9 173.981 176.340 -2.359 1
1 29 . 14 1 1 A 9 9 LYS CA C 9 53.793 53.780 0.013 1
1 30 . 14 1 1 A 9 9 LYS CB C 9 33.011 31.878 1.133 1
1 34 . 14 1 1 A 9 9 LYS N N 9 125.248 127.753 -2.505 1
1 35 . 14 1 1 A 10 10 PRO HA H 10 4.290 4.283 0.007 1
1 42 . 14 1 1 A 10 10 PRO C C 10 176.364 175.522 0.842 1
1 43 . 14 1 1 A 10 10 PRO CA C 10 63.426 63.895 -0.469 1
1 44 . 14 1 1 A 10 10 PRO CB C 10 32.209 31.157 1.052 1
1 47 . 14 1 1 A 11 11 TYR H H 11 7.981 7.553 0.428 1
1 48 . 14 1 1 A 11 11 TYR HA H 11 4.659 5.062 -0.403 1
1 55 . 14 1 1 A 11 11 TYR C C 11 175.225 174.475 0.750 1
1 56 . 14 1 1 A 11 11 TYR CA C 11 57.195 55.865 1.330 1
1 57 . 14 1 1 A 11 11 TYR CB C 11 38.185 39.367 -1.182 1
1 62 . 14 1 1 A 11 11 TYR N N 11 117.941 118.225 -0.284 1
1 63 . 14 1 1 A 12 12 GLY H H 12 8.475 9.147 -0.672 1
1 64 . 14 1 1 A 12 12 GLY HA2 H 12 3.630 4.272 -0.642 1
1 65 . 14 1 1 A 12 12 GLY HA3 H 12 4.709 4.331 0.378 1
1 66 . 14 1 1 A 12 12 GLY C C 12 172.847 172.920 -0.073 1
1 67 . 14 1 1 A 12 12 GLY CA C 12 44.512 44.892 -0.380 1
1 68 . 14 1 1 A 12 12 GLY N N 12 111.547 111.150 0.397 1
1 69 . 14 1 1 A 13 13 CYS H H 13 9.098 9.005 0.093 1
1 70 . 14 1 1 A 13 13 CYS HA H 13 4.701 4.631 0.070 1
1 73 . 14 1 1 A 13 13 CYS C C 13 177.769 175.855 1.914 1
1 74 . 14 1 1 A 13 13 CYS CA C 13 59.277 60.003 -0.726 1
1 75 . 14 1 1 A 13 13 CYS CB C 13 30.109 28.405 1.704 1
1 76 . 14 1 1 A 13 13 CYS N N 13 124.934 124.769 0.165 1
1 77 . 14 1 1 A 14 14 SER H H 14 9.169 9.005 0.164 1
1 78 . 14 1 1 A 14 14 SER HA H 14 4.273 4.643 -0.370 1
1 81 . 14 1 1 A 14 14 SER C C 14 174.567 175.197 -0.630 1
1 82 . 14 1 1 A 14 14 SER CA C 14 60.801 57.521 3.280 1
1 83 . 14 1 1 A 14 14 SER CB C 14 63.065 62.287 0.778 1
1 84 . 14 1 1 A 14 14 SER N N 14 127.617 123.198 4.419 1
1 85 . 14 1 1 A 15 15 GLU H H 15 9.031 7.972 1.059 1
1 86 . 14 1 1 A 15 15 GLU HA H 15 4.274 4.532 -0.258 1
1 91 . 14 1 1 A 15 15 GLU C C 15 177.149 177.861 -0.712 1
1 92 . 14 1 1 A 15 15 GLU CA C 15 57.715 57.096 0.619 1
1 93 . 14 1 1 A 15 15 GLU CB C 15 29.512 32.132 -2.620 1
1 95 . 14 1 1 A 15 15 GLU N N 15 123.683 122.460 1.223 1
1 96 . 14 1 1 A 16 16 CYS H H 16 8.253 7.639 0.614 1
1 97 . 14 1 1 A 16 16 CYS HA H 16 5.178 4.777 0.401 1
1 100 . 14 1 1 A 16 16 CYS C C 16 176.203 175.429 0.774 1
1 101 . 14 1 1 A 16 16 CYS CA C 16 58.466 59.693 -1.227 1
1 102 . 14 1 1 A 16 16 CYS CB C 16 32.439 30.078 2.361 1
1 103 . 14 1 1 A 16 16 CYS N N 16 116.046 115.156 0.890 1
1 104 . 14 1 1 A 17 17 GLY H H 17 8.087 8.191 -0.104 1
1 105 . 14 1 1 A 17 17 GLY HA2 H 17 3.882 4.072 -0.190 1
1 106 . 14 1 1 A 17 17 GLY HA3 H 17 4.225 4.074 0.151 1
1 107 . 14 1 1 A 17 17 GLY C C 17 174.332 173.808 0.524 1
1 108 . 14 1 1 A 17 17 GLY CA C 17 46.224 45.708 0.516 1
1 109 . 14 1 1 A 17 17 GLY N N 17 112.453 109.682 2.771 1
1 110 . 14 1 1 A 18 18 LYS H H 18 7.998 7.816 0.182 1
1 111 . 14 1 1 A 18 18 LYS HA H 18 4.011 4.782 -0.771 1
1 120 . 14 1 1 A 18 18 LYS C C 18 173.574 174.805 -1.231 1
1 121 . 14 1 1 A 18 18 LYS CA C 18 58.142 54.050 4.092 1
1 122 . 14 1 1 A 18 18 LYS CB C 18 33.979 36.126 -2.147 1
1 126 . 14 1 1 A 18 18 LYS N N 18 123.407 118.843 4.564 1
1 127 . 14 1 1 A 19 19 ALA H H 19 7.768 8.306 -0.538 1
1 128 . 14 1 1 A 19 19 ALA HA H 19 5.057 5.089 -0.032 1
1 132 . 14 1 1 A 19 19 ALA C C 19 176.149 174.981 1.168 1
1 133 . 14 1 1 A 19 19 ALA CA C 19 50.649 50.329 0.320 1
1 134 . 14 1 1 A 19 19 ALA CB C 19 22.135 23.867 -1.732 1
1 135 . 14 1 1 A 19 19 ALA N N 19 122.869 120.867 2.002 1
1 136 . 14 1 1 A 20 20 PHE H H 20 8.400 8.372 0.028 1
1 137 . 14 1 1 A 20 20 PHE HA H 20 4.787 4.927 -0.140 1
1 145 . 14 1 1 A 20 20 PHE C C 20 175.996 175.752 0.244 1
1 146 . 14 1 1 A 20 20 PHE CA C 20 57.402 56.498 0.904 1
1 147 . 14 1 1 A 20 20 PHE CB C 20 44.177 41.786 2.391 1
1 153 . 14 1 1 A 20 20 PHE N N 20 116.260 114.808 1.452 1
1 154 . 14 1 1 A 21 21 ARG H H 21 9.316 8.831 0.485 1
1 155 . 14 1 1 A 21 21 ARG HA H 21 4.478 4.077 0.401 1
1 162 . 14 1 1 A 21 21 ARG C C 21 175.389 175.750 -0.361 1
1 163 . 14 1 1 A 21 21 ARG CA C 21 57.837 59.301 -1.464 1
1 164 . 14 1 1 A 21 21 ARG CB C 21 31.184 30.192 0.992 1
1 167 . 14 1 1 A 21 21 ARG N N 21 119.000 126.948 -7.948 1
1 168 . 14 1 1 A 22 22 SER H H 22 7.474 7.777 -0.303 1
1 169 . 14 1 1 A 22 22 SER HA H 22 4.696 4.760 -0.064 1
1 172 . 14 1 1 A 22 22 SER C C 22 173.464 175.228 -1.764 1
1 173 . 14 1 1 A 22 22 SER CA C 22 55.901 56.057 -0.156 1
1 174 . 14 1 1 A 22 22 SER CB C 22 66.117 64.972 1.145 1
1 175 . 14 1 1 A 22 22 SER N N 22 109.845 113.959 -4.114 1
1 176 . 14 1 1 A 23 23 LYS H H 23 8.388 8.385 0.003 1
1 177 . 14 1 1 A 23 23 LYS HA H 23 3.324 3.198 0.126 1
1 186 . 14 1 1 A 23 23 LYS C C 23 178.109 178.197 -0.088 1
1 187 . 14 1 1 A 23 23 LYS CA C 23 58.994 58.438 0.556 1
1 188 . 14 1 1 A 23 23 LYS CB C 23 31.895 31.549 0.346 1
1 192 . 14 1 1 A 23 23 LYS N N 23 125.361 124.320 1.041 1
1 193 . 14 1 1 A 24 24 SER H H 24 8.217 7.737 0.480 1
1 194 . 14 1 1 A 24 24 SER HA H 24 3.980 4.047 -0.067 1
1 197 . 14 1 1 A 24 24 SER C C 24 176.910 176.651 0.259 1
1 198 . 14 1 1 A 24 24 SER CA C 24 61.457 61.584 -0.127 1
1 199 . 14 1 1 A 24 24 SER CB C 24 61.986 62.998 -1.012 1
1 200 . 14 1 1 A 24 24 SER N N 24 113.056 114.860 -1.804 1
1 201 . 14 1 1 A 25 25 TYR H H 25 7.270 8.435 -1.165 1
1 202 . 14 1 1 A 25 25 TYR HA H 25 4.258 4.239 0.019 1
1 209 . 14 1 1 A 25 25 TYR C C 25 178.363 177.677 0.686 1
1 210 . 14 1 1 A 25 25 TYR CA C 25 59.989 60.892 -0.903 1
1 211 . 14 1 1 A 25 25 TYR CB C 25 37.656 38.636 -0.980 1
1 216 . 14 1 1 A 25 25 TYR N N 25 119.562 119.811 -0.249 1
1 217 . 14 1 1 A 26 26 LEU H H 26 7.354 7.461 -0.107 1
1 218 . 14 1 1 A 26 26 LEU HA H 26 3.466 1.284 2.182 1
1 228 . 14 1 1 A 26 26 LEU C C 26 177.513 178.122 -0.609 1
1 229 . 14 1 1 A 26 26 LEU CA C 26 58.142 57.264 0.878 1
1 230 . 14 1 1 A 26 26 LEU CB C 26 40.723 41.115 -0.392 1
1 234 . 14 1 1 A 26 26 LEU N N 26 122.537 120.154 2.383 1
1 235 . 14 1 1 A 27 27 ILE H H 27 8.244 7.715 0.529 1
1 236 . 14 1 1 A 27 27 ILE HA H 27 3.594 3.526 0.068 1
1 246 . 14 1 1 A 27 27 ILE C C 27 179.045 177.743 1.302 1
1 247 . 14 1 1 A 27 27 ILE CA C 27 65.264 65.214 0.050 1
1 248 . 14 1 1 A 27 27 ILE CB C 27 37.650 37.755 -0.105 1
1 252 . 14 1 1 A 27 27 ILE N N 27 120.012 119.062 0.950 1
1 253 . 14 1 1 A 28 28 ILE H H 28 7.350 7.649 -0.299 1
1 254 . 14 1 1 A 28 28 ILE HA H 28 3.541 3.755 -0.214 1
1 264 . 14 1 1 A 28 28 ILE C C 28 179.008 178.617 0.391 1
1 265 . 14 1 1 A 28 28 ILE CA C 28 65.093 64.956 0.137 1
1 266 . 14 1 1 A 28 28 ILE CB C 28 38.473 37.780 0.693 1
1 270 . 14 1 1 A 28 28 ILE N N 28 119.450 120.559 -1.109 1
1 271 . 14 1 1 A 29 29 HIS H H 29 7.774 8.011 -0.237 1
1 272 . 14 1 1 A 29 29 HIS HA H 29 4.210 4.252 -0.042 1
1 277 . 14 1 1 A 29 29 HIS C C 29 178.135 177.006 1.129 1
1 278 . 14 1 1 A 29 29 HIS CA C 29 59.320 59.216 0.104 1
1 279 . 14 1 1 A 29 29 HIS CB C 29 28.240 30.344 -2.104 1
1 282 . 14 1 1 A 29 29 HIS N N 29 119.901 121.432 -1.531 1
1 283 . 14 1 1 A 30 30 MET H H 30 8.859 8.509 0.350 1
1 284 . 14 1 1 A 30 30 MET HA H 30 4.061 3.893 0.168 1
1 292 . 14 1 1 A 30 30 MET C C 30 178.435 178.720 -0.285 1
1 293 . 14 1 1 A 30 30 MET CA C 30 58.334 58.781 -0.447 1
1 294 . 14 1 1 A 30 30 MET CB C 30 30.760 32.146 -1.386 1
1 297 . 14 1 1 A 30 30 MET N N 30 119.643 116.883 2.760 1
1 298 . 14 1 1 A 31 31 ARG H H 31 7.334 8.025 -0.691 1
1 299 . 14 1 1 A 31 31 ARG HA H 31 4.214 3.920 0.294 1
1 306 . 14 1 1 A 31 31 ARG C C 31 178.442 177.851 0.591 1
1 307 . 14 1 1 A 31 31 ARG CA C 31 58.742 59.782 -1.040 1
1 308 . 14 1 1 A 31 31 ARG CB C 31 29.921 29.964 -0.043 1
1 311 . 14 1 1 A 31 31 ARG N N 31 117.860 118.687 -0.827 1
1 312 . 14 1 1 A 32 32 THR H H 32 7.892 7.921 -0.029 1
1 313 . 14 1 1 A 32 32 THR HA H 32 4.129 3.940 0.189 1
1 318 . 14 1 1 A 32 32 THR C C 32 175.441 176.746 -1.305 1
1 319 . 14 1 1 A 32 32 THR CA C 32 63.963 65.394 -1.431 1
1 320 . 14 1 1 A 32 32 THR CB C 32 69.388 67.697 1.691 1
1 322 . 14 1 1 A 32 32 THR N N 32 109.787 112.231 -2.444 1
1 323 . 14 1 1 A 33 33 HIS H H 33 7.270 8.060 -0.790 1
1 324 . 14 1 1 A 33 33 HIS HA H 33 4.921 4.188 0.733 1
1 329 . 14 1 1 A 33 33 HIS C C 33 175.596 177.971 -2.375 1
1 330 . 14 1 1 A 33 33 HIS CA C 33 55.469 59.153 -3.684 1
1 331 . 14 1 1 A 33 33 HIS CB C 33 28.877 30.017 -1.140 1
1 334 . 14 1 1 A 33 33 HIS N N 33 118.636 119.086 -0.450 1
1 335 . 14 1 1 A 34 34 THR H H 34 7.842 8.777 -0.935 1
1 336 . 14 1 1 A 34 34 THR HA H 34 4.377 4.119 0.258 1
1 341 . 14 1 1 A 34 34 THR C C 34 175.388 175.690 -0.302 1
1 342 . 14 1 1 A 34 34 THR CA C 34 62.369 65.267 -2.898 1
1 343 . 14 1 1 A 34 34 THR CB C 34 69.883 68.230 1.653 1
1 345 . 14 1 1 A 34 34 THR N N 34 112.003 111.161 0.842 1
1 346 . 14 1 1 A 35 35 GLY H H 35 8.325 8.241 0.084 1
1 347 . 14 1 1 A 35 35 GLY HA2 H 35 4.037 3.914 0.123 1
1 348 . 14 1 1 A 35 35 GLY HA3 H 35 3.961 3.925 0.036 1
1 349 . 14 1 1 A 35 35 GLY C C 35 174.027 175.173 -1.146 1
1 350 . 14 1 1 A 35 35 GLY CA C 35 45.420 45.298 0.122 1
1 351 . 14 1 1 A 35 35 GLY N N 35 110.924 109.678 1.246 1
1 352 . 14 1 1 A 36 36 GLU H H 36 8.134 9.028 -0.894 1
1 353 . 14 1 1 A 36 36 GLU HA H 36 4.252 3.942 0.310 1
1 358 . 14 1 1 A 36 36 GLU C C 36 176.217 175.261 0.956 1
1 359 . 14 1 1 A 36 36 GLU CA C 36 56.529 57.341 -0.812 1
1 360 . 14 1 1 A 36 36 GLU CB C 36 30.526 28.613 1.913 1
1 362 . 14 1 1 A 36 36 GLU N N 36 120.646 121.166 -0.520 1
1 363 . 14 1 1 A 37 37 LYS H H 37 8.442 7.729 0.713 1
1 364 . 14 1 1 A 37 37 LYS HA H 37 4.624 4.652 -0.028 1
1 373 . 14 1 1 A 37 37 LYS C C 37 174.470 175.538 -1.068 1
1 374 . 14 1 1 A 37 37 LYS CA C 37 54.105 52.916 1.189 1
1 375 . 14 1 1 A 37 37 LYS CB C 37 32.513 35.988 -3.475 1
1 379 . 14 1 1 A 37 37 LYS N N 37 123.934 119.713 4.221 1
1 380 . 14 1 1 A 38 38 PRO HA H 38 4.472 4.404 0.068 1
1 387 . 14 1 1 A 38 38 PRO C C 38 176.963 176.355 0.608 1
1 388 . 14 1 1 A 38 38 PRO CA C 38 63.242 65.188 -1.946 1
1 389 . 14 1 1 A 38 38 PRO CB C 38 32.184 32.001 0.183 1
1 392 . 14 1 1 A 39 39 SER H H 39 8.479 7.845 0.634 1
1 393 . 14 1 1 A 39 39 SER HA H 39 4.478 4.482 -0.004 1
1 396 . 14 1 1 A 39 39 SER C C 39 174.643 174.666 -0.023 1
1 397 . 14 1 1 A 39 39 SER CA C 39 58.498 58.851 -0.353 1
1 398 . 14 1 1 A 39 39 SER CB C 39 63.958 64.210 -0.252 1
1 399 . 14 1 1 A 39 39 SER N N 39 116.485 114.514 1.971 1
1 400 . 14 1 1 A 40 40 GLY H H 40 8.234 8.527 -0.293 1
1 401 . 14 1 1 A 40 40 GLY HA2 H 40 4.173 4.155 0.018 1
1 402 . 14 1 1 A 40 40 GLY HA3 H 40 4.122 4.156 -0.034 1
1 403 . 14 1 1 A 40 40 GLY C C 40 171.735 173.934 -2.199 1
1 404 . 14 1 1 A 40 40 GLY CA C 40 44.655 44.466 0.189 1
1 405 . 14 1 1 A 40 40 GLY N N 40 110.650 110.073 0.577 1
1 406 . 14 1 1 A 41 41 PRO HA H 41 4.474 4.523 -0.049 1
1 413 . 14 1 1 A 41 41 PRO CA C 41 63.258 63.946 -0.688 1
1 414 . 14 1 1 A 41 41 PRO CB C 41 32.111 31.861 0.250 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.954 4.163 -0.209 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.954 4.166 -0.212 1
1 3 . 15 1 1 A 7 7 GLY C C 7 173.934 172.293 1.641 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.271 45.953 -0.682 1
1 5 . 15 1 1 A 8 8 VAL H H 8 7.897 9.001 -1.104 1
1 6 . 15 1 1 A 8 8 VAL HA H 8 4.047 4.893 -0.846 1
1 14 . 15 1 1 A 8 8 VAL C C 8 175.891 174.832 1.059 1
1 15 . 15 1 1 A 8 8 VAL CA C 8 62.520 59.089 3.431 1
1 16 . 15 1 1 A 8 8 VAL CB C 8 32.445 36.020 -3.575 1
1 19 . 15 1 1 A 8 8 VAL N N 8 119.114 120.325 -1.211 1
1 20 . 15 1 1 A 9 9 LYS H H 9 8.299 8.590 -0.291 1
1 21 . 15 1 1 A 9 9 LYS HA H 9 4.522 4.837 -0.315 1
1 28 . 15 1 1 A 9 9 LYS C C 9 173.981 176.458 -2.477 1
1 29 . 15 1 1 A 9 9 LYS CA C 9 53.793 53.544 0.249 1
1 30 . 15 1 1 A 9 9 LYS CB C 9 33.011 32.566 0.445 1
1 34 . 15 1 1 A 9 9 LYS N N 9 125.248 121.873 3.375 1
1 35 . 15 1 1 A 10 10 PRO HA H 10 4.290 4.420 -0.130 1
1 42 . 15 1 1 A 10 10 PRO C C 10 176.364 175.857 0.507 1
1 43 . 15 1 1 A 10 10 PRO CA C 10 63.426 64.907 -1.481 1
1 44 . 15 1 1 A 10 10 PRO CB C 10 32.209 31.616 0.593 1
1 47 . 15 1 1 A 11 11 TYR H H 11 7.981 7.697 0.284 1
1 48 . 15 1 1 A 11 11 TYR HA H 11 4.659 4.808 -0.149 1
1 55 . 15 1 1 A 11 11 TYR C C 11 175.225 176.049 -0.824 1
1 56 . 15 1 1 A 11 11 TYR CA C 11 57.195 57.125 0.070 1
1 57 . 15 1 1 A 11 11 TYR CB C 11 38.185 39.327 -1.142 1
1 62 . 15 1 1 A 11 11 TYR N N 11 117.941 118.196 -0.255 1
1 63 . 15 1 1 A 12 12 GLY H H 12 8.475 8.951 -0.476 1
1 64 . 15 1 1 A 12 12 GLY HA2 H 12 3.630 4.427 -0.797 1
1 65 . 15 1 1 A 12 12 GLY HA3 H 12 4.709 4.532 0.177 1
1 66 . 15 1 1 A 12 12 GLY C C 12 172.847 173.389 -0.542 1
1 67 . 15 1 1 A 12 12 GLY CA C 12 44.512 44.925 -0.413 1
1 68 . 15 1 1 A 12 12 GLY N N 12 111.547 111.353 0.194 1
1 69 . 15 1 1 A 13 13 CYS H H 13 9.098 8.956 0.142 1
1 70 . 15 1 1 A 13 13 CYS HA H 13 4.701 4.592 0.109 1
1 73 . 15 1 1 A 13 13 CYS C C 13 177.769 175.821 1.948 1
1 74 . 15 1 1 A 13 13 CYS CA C 13 59.277 60.146 -0.869 1
1 75 . 15 1 1 A 13 13 CYS CB C 13 30.109 28.610 1.499 1
1 76 . 15 1 1 A 13 13 CYS N N 13 124.934 123.967 0.967 1
1 77 . 15 1 1 A 14 14 SER H H 14 9.169 8.961 0.208 1
1 78 . 15 1 1 A 14 14 SER HA H 14 4.273 4.689 -0.416 1
1 81 . 15 1 1 A 14 14 SER C C 14 174.567 175.200 -0.633 1
1 82 . 15 1 1 A 14 14 SER CA C 14 60.801 57.478 3.323 1
1 83 . 15 1 1 A 14 14 SER CB C 14 63.065 62.769 0.296 1
1 84 . 15 1 1 A 14 14 SER N N 14 127.617 123.286 4.331 1
1 85 . 15 1 1 A 15 15 GLU H H 15 9.031 7.948 1.083 1
1 86 . 15 1 1 A 15 15 GLU HA H 15 4.274 4.454 -0.180 1
1 91 . 15 1 1 A 15 15 GLU C C 15 177.149 177.626 -0.477 1
1 92 . 15 1 1 A 15 15 GLU CA C 15 57.715 57.117 0.598 1
1 93 . 15 1 1 A 15 15 GLU CB C 15 29.512 31.956 -2.444 1
1 95 . 15 1 1 A 15 15 GLU N N 15 123.683 122.522 1.161 1
1 96 . 15 1 1 A 16 16 CYS H H 16 8.253 8.112 0.141 1
1 97 . 15 1 1 A 16 16 CYS HA H 16 5.178 4.731 0.447 1
1 100 . 15 1 1 A 16 16 CYS C C 16 176.203 175.485 0.718 1
1 101 . 15 1 1 A 16 16 CYS CA C 16 58.466 59.742 -1.276 1
1 102 . 15 1 1 A 16 16 CYS CB C 16 32.439 30.005 2.434 1
1 103 . 15 1 1 A 16 16 CYS N N 16 116.046 115.490 0.556 1
1 104 . 15 1 1 A 17 17 GLY H H 17 8.087 8.034 0.053 1
1 105 . 15 1 1 A 17 17 GLY HA2 H 17 3.882 4.068 -0.186 1
1 106 . 15 1 1 A 17 17 GLY HA3 H 17 4.225 4.071 0.154 1
1 107 . 15 1 1 A 17 17 GLY C C 17 174.332 173.904 0.428 1
1 108 . 15 1 1 A 17 17 GLY CA C 17 46.224 45.449 0.775 1
1 109 . 15 1 1 A 17 17 GLY N N 17 112.453 109.896 2.557 1
1 110 . 15 1 1 A 18 18 LYS H H 18 7.998 7.822 0.176 1
1 111 . 15 1 1 A 18 18 LYS HA H 18 4.011 4.706 -0.695 1
1 120 . 15 1 1 A 18 18 LYS C C 18 173.574 174.904 -1.330 1
1 121 . 15 1 1 A 18 18 LYS CA C 18 58.142 54.116 4.026 1
1 122 . 15 1 1 A 18 18 LYS CB C 18 33.979 35.507 -1.528 1
1 126 . 15 1 1 A 18 18 LYS N N 18 123.407 119.023 4.384 1
1 127 . 15 1 1 A 19 19 ALA H H 19 7.768 8.210 -0.442 1
1 128 . 15 1 1 A 19 19 ALA HA H 19 5.057 5.294 -0.237 1
1 132 . 15 1 1 A 19 19 ALA C C 19 176.149 175.005 1.144 1
1 133 . 15 1 1 A 19 19 ALA CA C 19 50.649 50.263 0.386 1
1 134 . 15 1 1 A 19 19 ALA CB C 19 22.135 23.990 -1.855 1
1 135 . 15 1 1 A 19 19 ALA N N 19 122.869 120.756 2.113 1
1 136 . 15 1 1 A 20 20 PHE H H 20 8.400 8.708 -0.308 1
1 137 . 15 1 1 A 20 20 PHE HA H 20 4.787 5.013 -0.226 1
1 145 . 15 1 1 A 20 20 PHE C C 20 175.996 175.737 0.259 1
1 146 . 15 1 1 A 20 20 PHE CA C 20 57.402 56.450 0.952 1
1 147 . 15 1 1 A 20 20 PHE CB C 20 44.177 41.807 2.370 1
1 153 . 15 1 1 A 20 20 PHE N N 20 116.260 115.322 0.938 1
1 154 . 15 1 1 A 21 21 ARG H H 21 9.316 8.890 0.426 1
1 155 . 15 1 1 A 21 21 ARG HA H 21 4.478 4.109 0.369 1
1 162 . 15 1 1 A 21 21 ARG C C 21 175.389 175.641 -0.252 1
1 163 . 15 1 1 A 21 21 ARG CA C 21 57.837 59.466 -1.629 1
1 164 . 15 1 1 A 21 21 ARG CB C 21 31.184 30.159 1.025 1
1 167 . 15 1 1 A 21 21 ARG N N 21 119.000 126.959 -7.959 1
1 168 . 15 1 1 A 22 22 SER H H 22 7.474 7.614 -0.140 1
1 169 . 15 1 1 A 22 22 SER HA H 22 4.696 4.544 0.152 1
1 172 . 15 1 1 A 22 22 SER C C 22 173.464 173.966 -0.502 1
1 173 . 15 1 1 A 22 22 SER CA C 22 55.901 55.851 0.050 1
1 174 . 15 1 1 A 22 22 SER CB C 22 66.117 64.670 1.447 1
1 175 . 15 1 1 A 22 22 SER N N 22 109.845 113.931 -4.086 1
1 176 . 15 1 1 A 23 23 LYS H H 23 8.388 8.418 -0.030 1
1 177 . 15 1 1 A 23 23 LYS HA H 23 3.324 3.141 0.183 1
1 186 . 15 1 1 A 23 23 LYS C C 23 178.109 177.923 0.186 1
1 187 . 15 1 1 A 23 23 LYS CA C 23 58.994 59.846 -0.852 1
1 188 . 15 1 1 A 23 23 LYS CB C 23 31.895 32.061 -0.166 1
1 192 . 15 1 1 A 23 23 LYS N N 23 125.361 126.853 -1.492 1
1 193 . 15 1 1 A 24 24 SER H H 24 8.217 8.023 0.194 1
1 194 . 15 1 1 A 24 24 SER HA H 24 3.980 4.059 -0.079 1
1 197 . 15 1 1 A 24 24 SER C C 24 176.910 176.579 0.331 1
1 198 . 15 1 1 A 24 24 SER CA C 24 61.457 61.466 -0.009 1
1 199 . 15 1 1 A 24 24 SER CB C 24 61.986 63.167 -1.181 1
1 200 . 15 1 1 A 24 24 SER N N 24 113.056 113.619 -0.563 1
1 201 . 15 1 1 A 25 25 TYR H H 25 7.270 8.345 -1.075 1
1 202 . 15 1 1 A 25 25 TYR HA H 25 4.258 4.336 -0.078 1
1 209 . 15 1 1 A 25 25 TYR C C 25 178.363 177.942 0.421 1
1 210 . 15 1 1 A 25 25 TYR CA C 25 59.989 60.783 -0.794 1
1 211 . 15 1 1 A 25 25 TYR CB C 25 37.656 38.272 -0.616 1
1 216 . 15 1 1 A 25 25 TYR N N 25 119.562 119.547 0.015 1
1 217 . 15 1 1 A 26 26 LEU H H 26 7.354 7.948 -0.594 1
1 218 . 15 1 1 A 26 26 LEU HA H 26 3.466 1.982 1.484 1
1 228 . 15 1 1 A 26 26 LEU C C 26 177.513 178.185 -0.672 1
1 229 . 15 1 1 A 26 26 LEU CA C 26 58.142 57.663 0.479 1
1 230 . 15 1 1 A 26 26 LEU CB C 26 40.723 41.480 -0.757 1
1 234 . 15 1 1 A 26 26 LEU N N 26 122.537 120.847 1.690 1
1 235 . 15 1 1 A 27 27 ILE H H 27 8.244 7.569 0.675 1
1 236 . 15 1 1 A 27 27 ILE HA H 27 3.594 3.535 0.059 1
1 246 . 15 1 1 A 27 27 ILE C C 27 179.045 177.598 1.447 1
1 247 . 15 1 1 A 27 27 ILE CA C 27 65.264 65.287 -0.023 1
1 248 . 15 1 1 A 27 27 ILE CB C 27 37.650 37.769 -0.119 1
1 252 . 15 1 1 A 27 27 ILE N N 27 120.012 119.042 0.970 1
1 253 . 15 1 1 A 28 28 ILE H H 28 7.350 7.953 -0.603 1
1 254 . 15 1 1 A 28 28 ILE HA H 28 3.541 3.656 -0.115 1
1 264 . 15 1 1 A 28 28 ILE C C 28 179.008 178.521 0.487 1
1 265 . 15 1 1 A 28 28 ILE CA C 28 65.093 65.116 -0.023 1
1 266 . 15 1 1 A 28 28 ILE CB C 28 38.473 37.735 0.738 1
1 270 . 15 1 1 A 28 28 ILE N N 28 119.450 120.418 -0.968 1
1 271 . 15 1 1 A 29 29 HIS H H 29 7.774 7.786 -0.012 1
1 272 . 15 1 1 A 29 29 HIS HA H 29 4.210 4.272 -0.062 1
1 277 . 15 1 1 A 29 29 HIS C C 29 178.135 177.003 1.132 1
1 278 . 15 1 1 A 29 29 HIS CA C 29 59.320 59.252 0.068 1
1 279 . 15 1 1 A 29 29 HIS CB C 29 28.240 30.019 -1.779 1
1 282 . 15 1 1 A 29 29 HIS N N 29 119.901 120.032 -0.131 1
1 283 . 15 1 1 A 30 30 MET H H 30 8.859 8.294 0.565 1
1 284 . 15 1 1 A 30 30 MET HA H 30 4.061 4.001 0.060 1
1 292 . 15 1 1 A 30 30 MET C C 30 178.435 178.871 -0.436 1
1 293 . 15 1 1 A 30 30 MET CA C 30 58.334 58.755 -0.421 1
1 294 . 15 1 1 A 30 30 MET CB C 30 30.760 31.816 -1.056 1
1 297 . 15 1 1 A 30 30 MET N N 30 119.643 116.783 2.860 1
1 298 . 15 1 1 A 31 31 ARG H H 31 7.334 7.715 -0.381 1
1 299 . 15 1 1 A 31 31 ARG HA H 31 4.214 4.098 0.116 1
1 306 . 15 1 1 A 31 31 ARG C C 31 178.442 179.110 -0.668 1
1 307 . 15 1 1 A 31 31 ARG CA C 31 58.742 59.572 -0.830 1
1 308 . 15 1 1 A 31 31 ARG CB C 31 29.921 29.822 0.099 1
1 311 . 15 1 1 A 31 31 ARG N N 31 117.860 119.002 -1.142 1
1 312 . 15 1 1 A 32 32 THR H H 32 7.892 8.136 -0.244 1
1 313 . 15 1 1 A 32 32 THR HA H 32 4.129 3.827 0.302 1
1 318 . 15 1 1 A 32 32 THR C C 32 175.441 176.196 -0.755 1
1 319 . 15 1 1 A 32 32 THR CA C 32 63.963 65.062 -1.099 1
1 320 . 15 1 1 A 32 32 THR CB C 32 69.388 68.441 0.947 1
1 322 . 15 1 1 A 32 32 THR N N 32 109.787 114.434 -4.647 1
1 323 . 15 1 1 A 33 33 HIS H H 33 7.270 7.746 -0.476 1
1 324 . 15 1 1 A 33 33 HIS HA H 33 4.921 4.642 0.279 1
1 329 . 15 1 1 A 33 33 HIS C C 33 175.596 174.281 1.315 1
1 330 . 15 1 1 A 33 33 HIS CA C 33 55.469 56.103 -0.634 1
1 331 . 15 1 1 A 33 33 HIS CB C 33 28.877 29.418 -0.541 1
1 334 . 15 1 1 A 33 33 HIS N N 33 118.636 116.313 2.323 1
1 335 . 15 1 1 A 34 34 THR H H 34 7.842 7.403 0.439 1
1 336 . 15 1 1 A 34 34 THR HA H 34 4.377 4.804 -0.427 1
1 341 . 15 1 1 A 34 34 THR C C 34 175.388 173.651 1.737 1
1 342 . 15 1 1 A 34 34 THR CA C 34 62.369 59.753 2.616 1
1 343 . 15 1 1 A 34 34 THR CB C 34 69.883 71.761 -1.878 1
1 345 . 15 1 1 A 34 34 THR N N 34 112.003 109.906 2.097 1
1 346 . 15 1 1 A 35 35 GLY H H 35 8.325 8.187 0.138 1
1 347 . 15 1 1 A 35 35 GLY HA2 H 35 4.037 3.992 0.045 1
1 348 . 15 1 1 A 35 35 GLY HA3 H 35 3.961 3.998 -0.037 1
1 349 . 15 1 1 A 35 35 GLY C C 35 174.027 173.807 0.220 1
1 350 . 15 1 1 A 35 35 GLY CA C 35 45.420 45.090 0.330 1
1 351 . 15 1 1 A 35 35 GLY N N 35 110.924 109.511 1.413 1
1 352 . 15 1 1 A 36 36 GLU H H 36 8.134 8.413 -0.279 1
1 353 . 15 1 1 A 36 36 GLU HA H 36 4.252 4.238 0.014 1
1 358 . 15 1 1 A 36 36 GLU C C 36 176.217 175.908 0.309 1
1 359 . 15 1 1 A 36 36 GLU CA C 36 56.529 56.503 0.026 1
1 360 . 15 1 1 A 36 36 GLU CB C 36 30.526 30.855 -0.329 1
1 362 . 15 1 1 A 36 36 GLU N N 36 120.646 123.569 -2.923 1
1 363 . 15 1 1 A 37 37 LYS H H 37 8.442 8.581 -0.139 1
1 364 . 15 1 1 A 37 37 LYS HA H 37 4.624 4.523 0.101 1
1 373 . 15 1 1 A 37 37 LYS C C 37 174.470 175.634 -1.164 1
1 374 . 15 1 1 A 37 37 LYS CA C 37 54.105 54.246 -0.141 1
1 375 . 15 1 1 A 37 37 LYS CB C 37 32.513 33.339 -0.826 1
1 379 . 15 1 1 A 37 37 LYS N N 37 123.934 123.519 0.415 1
1 380 . 15 1 1 A 38 38 PRO HA H 38 4.472 4.648 -0.176 1
1 387 . 15 1 1 A 38 38 PRO C C 38 176.963 175.272 1.691 1
1 388 . 15 1 1 A 38 38 PRO CA C 38 63.242 62.642 0.600 1
1 389 . 15 1 1 A 38 38 PRO CB C 38 32.184 32.345 -0.161 1
1 392 . 15 1 1 A 39 39 SER H H 39 8.479 8.514 -0.035 1
1 393 . 15 1 1 A 39 39 SER HA H 39 4.478 4.950 -0.472 1
1 396 . 15 1 1 A 39 39 SER C C 39 174.643 174.928 -0.285 1
1 397 . 15 1 1 A 39 39 SER CA C 39 58.498 57.328 1.170 1
1 398 . 15 1 1 A 39 39 SER CB C 39 63.958 64.740 -0.782 1
1 399 . 15 1 1 A 39 39 SER N N 39 116.485 117.363 -0.878 1
1 400 . 15 1 1 A 40 40 GLY H H 40 8.234 8.260 -0.026 1
1 401 . 15 1 1 A 40 40 GLY HA2 H 40 4.173 3.992 0.181 1
1 402 . 15 1 1 A 40 40 GLY HA3 H 40 4.122 3.994 0.128 1
1 403 . 15 1 1 A 40 40 GLY C C 40 171.735 174.745 -3.010 1
1 404 . 15 1 1 A 40 40 GLY CA C 40 44.655 45.431 -0.776 1
1 405 . 15 1 1 A 40 40 GLY N N 40 110.650 113.487 -2.837 1
1 406 . 15 1 1 A 41 41 PRO HA H 41 4.474 4.610 -0.136 1
1 413 . 15 1 1 A 41 41 PRO CA C 41 63.258 62.849 0.409 1
1 414 . 15 1 1 A 41 41 PRO CB C 41 32.111 31.605 0.506 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.954 4.053 -0.099 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.954 4.056 -0.102 1
1 3 . 16 1 1 A 7 7 GLY C C 7 173.934 172.680 1.254 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.271 45.504 -0.233 1
1 5 . 16 1 1 A 8 8 VAL H H 8 7.897 8.610 -0.713 1
1 6 . 16 1 1 A 8 8 VAL HA H 8 4.047 4.278 -0.231 1
1 14 . 16 1 1 A 8 8 VAL C C 8 175.891 174.246 1.645 1
1 15 . 16 1 1 A 8 8 VAL CA C 8 62.520 61.167 1.353 1
1 16 . 16 1 1 A 8 8 VAL CB C 8 32.445 30.832 1.613 1
1 19 . 16 1 1 A 8 8 VAL N N 8 119.114 123.546 -4.432 1
1 20 . 16 1 1 A 9 9 LYS H H 9 8.299 7.647 0.652 1
1 21 . 16 1 1 A 9 9 LYS HA H 9 4.522 4.923 -0.401 1
1 28 . 16 1 1 A 9 9 LYS C C 9 173.981 175.826 -1.845 1
1 29 . 16 1 1 A 9 9 LYS CA C 9 53.793 53.077 0.716 1
1 30 . 16 1 1 A 9 9 LYS CB C 9 33.011 35.024 -2.013 1
1 34 . 16 1 1 A 9 9 LYS N N 9 125.248 120.558 4.690 1
1 35 . 16 1 1 A 10 10 PRO HA H 10 4.290 4.281 0.009 1
1 42 . 16 1 1 A 10 10 PRO C C 10 176.364 175.573 0.791 1
1 43 . 16 1 1 A 10 10 PRO CA C 10 63.426 64.336 -0.910 1
1 44 . 16 1 1 A 10 10 PRO CB C 10 32.209 31.718 0.491 1
1 47 . 16 1 1 A 11 11 TYR H H 11 7.981 7.447 0.534 1
1 48 . 16 1 1 A 11 11 TYR HA H 11 4.659 5.383 -0.724 1
1 55 . 16 1 1 A 11 11 TYR C C 11 175.225 175.421 -0.196 1
1 56 . 16 1 1 A 11 11 TYR CA C 11 57.195 55.854 1.341 1
1 57 . 16 1 1 A 11 11 TYR CB C 11 38.185 42.062 -3.877 1
1 62 . 16 1 1 A 11 11 TYR N N 11 117.941 118.497 -0.556 1
1 63 . 16 1 1 A 12 12 GLY H H 12 8.475 8.699 -0.224 1
1 64 . 16 1 1 A 12 12 GLY HA2 H 12 3.630 4.285 -0.655 1
1 65 . 16 1 1 A 12 12 GLY HA3 H 12 4.709 4.363 0.346 1
1 66 . 16 1 1 A 12 12 GLY C C 12 172.847 172.577 0.270 1
1 67 . 16 1 1 A 12 12 GLY CA C 12 44.512 45.922 -1.410 1
1 68 . 16 1 1 A 12 12 GLY N N 12 111.547 109.217 2.330 1
1 69 . 16 1 1 A 13 13 CYS H H 13 9.098 9.349 -0.251 1
1 70 . 16 1 1 A 13 13 CYS HA H 13 4.701 4.699 0.002 1
1 73 . 16 1 1 A 13 13 CYS C C 13 177.769 175.202 2.567 1
1 74 . 16 1 1 A 13 13 CYS CA C 13 59.277 59.225 0.052 1
1 75 . 16 1 1 A 13 13 CYS CB C 13 30.109 28.514 1.595 1
1 76 . 16 1 1 A 13 13 CYS N N 13 124.934 121.778 3.156 1
1 77 . 16 1 1 A 14 14 SER H H 14 9.169 8.903 0.266 1
1 78 . 16 1 1 A 14 14 SER HA H 14 4.273 4.784 -0.511 1
1 81 . 16 1 1 A 14 14 SER C C 14 174.567 175.250 -0.683 1
1 82 . 16 1 1 A 14 14 SER CA C 14 60.801 57.151 3.650 1
1 83 . 16 1 1 A 14 14 SER CB C 14 63.065 63.710 -0.645 1
1 84 . 16 1 1 A 14 14 SER N N 14 127.617 122.332 5.285 1
1 85 . 16 1 1 A 15 15 GLU H H 15 9.031 7.535 1.496 1
1 86 . 16 1 1 A 15 15 GLU HA H 15 4.274 4.454 -0.180 1
1 91 . 16 1 1 A 15 15 GLU C C 15 177.149 177.783 -0.634 1
1 92 . 16 1 1 A 15 15 GLU CA C 15 57.715 57.161 0.554 1
1 93 . 16 1 1 A 15 15 GLU CB C 15 29.512 31.765 -2.253 1
1 95 . 16 1 1 A 15 15 GLU N N 15 123.683 122.184 1.499 1
1 96 . 16 1 1 A 16 16 CYS H H 16 8.253 7.738 0.515 1
1 97 . 16 1 1 A 16 16 CYS HA H 16 5.178 4.711 0.467 1
1 100 . 16 1 1 A 16 16 CYS C C 16 176.203 175.342 0.861 1
1 101 . 16 1 1 A 16 16 CYS CA C 16 58.466 59.755 -1.289 1
1 102 . 16 1 1 A 16 16 CYS CB C 16 32.439 29.875 2.564 1
1 103 . 16 1 1 A 16 16 CYS N N 16 116.046 115.268 0.778 1
1 104 . 16 1 1 A 17 17 GLY H H 17 8.087 8.238 -0.151 1
1 105 . 16 1 1 A 17 17 GLY HA2 H 17 3.882 4.059 -0.177 1
1 106 . 16 1 1 A 17 17 GLY HA3 H 17 4.225 4.069 0.156 1
1 107 . 16 1 1 A 17 17 GLY C C 17 174.332 173.725 0.607 1
1 108 . 16 1 1 A 17 17 GLY CA C 17 46.224 45.874 0.350 1
1 109 . 16 1 1 A 17 17 GLY N N 17 112.453 109.465 2.988 1
1 110 . 16 1 1 A 18 18 LYS H H 18 7.998 7.765 0.233 1
1 111 . 16 1 1 A 18 18 LYS HA H 18 4.011 4.756 -0.745 1
1 120 . 16 1 1 A 18 18 LYS C C 18 173.574 174.700 -1.126 1
1 121 . 16 1 1 A 18 18 LYS CA C 18 58.142 54.245 3.897 1
1 122 . 16 1 1 A 18 18 LYS CB C 18 33.979 36.529 -2.550 1
1 126 . 16 1 1 A 18 18 LYS N N 18 123.407 119.055 4.352 1
1 127 . 16 1 1 A 19 19 ALA H H 19 7.768 8.431 -0.663 1
1 128 . 16 1 1 A 19 19 ALA HA H 19 5.057 5.387 -0.330 1
1 132 . 16 1 1 A 19 19 ALA C C 19 176.149 175.043 1.106 1
1 133 . 16 1 1 A 19 19 ALA CA C 19 50.649 50.373 0.276 1
1 134 . 16 1 1 A 19 19 ALA CB C 19 22.135 24.014 -1.879 1
1 135 . 16 1 1 A 19 19 ALA N N 19 122.869 121.353 1.516 1
1 136 . 16 1 1 A 20 20 PHE H H 20 8.400 8.782 -0.382 1
1 137 . 16 1 1 A 20 20 PHE HA H 20 4.787 4.766 0.021 1
1 145 . 16 1 1 A 20 20 PHE C C 20 175.996 175.697 0.299 1
1 146 . 16 1 1 A 20 20 PHE CA C 20 57.402 55.939 1.463 1
1 147 . 16 1 1 A 20 20 PHE CB C 20 44.177 42.570 1.607 1
1 153 . 16 1 1 A 20 20 PHE N N 20 116.260 114.479 1.781 1
1 154 . 16 1 1 A 21 21 ARG H H 21 9.316 8.901 0.415 1
1 155 . 16 1 1 A 21 21 ARG HA H 21 4.478 4.222 0.256 1
1 162 . 16 1 1 A 21 21 ARG C C 21 175.389 175.990 -0.601 1
1 163 . 16 1 1 A 21 21 ARG CA C 21 57.837 58.821 -0.984 1
1 164 . 16 1 1 A 21 21 ARG CB C 21 31.184 30.791 0.393 1
1 167 . 16 1 1 A 21 21 ARG N N 21 119.000 125.796 -6.796 1
1 168 . 16 1 1 A 22 22 SER H H 22 7.474 8.073 -0.599 1
1 169 . 16 1 1 A 22 22 SER HA H 22 4.696 4.895 -0.199 1
1 172 . 16 1 1 A 22 22 SER C C 22 173.464 174.225 -0.761 1
1 173 . 16 1 1 A 22 22 SER CA C 22 55.901 57.260 -1.359 1
1 174 . 16 1 1 A 22 22 SER CB C 22 66.117 65.965 0.152 1
1 175 . 16 1 1 A 22 22 SER N N 22 109.845 112.233 -2.388 1
1 176 . 16 1 1 A 23 23 LYS H H 23 8.388 8.811 -0.423 1
1 177 . 16 1 1 A 23 23 LYS HA H 23 3.324 3.119 0.205 1
1 186 . 16 1 1 A 23 23 LYS C C 23 178.109 178.329 -0.220 1
1 187 . 16 1 1 A 23 23 LYS CA C 23 58.994 58.698 0.296 1
1 188 . 16 1 1 A 23 23 LYS CB C 23 31.895 32.550 -0.655 1
1 192 . 16 1 1 A 23 23 LYS N N 23 125.361 125.322 0.039 1
1 193 . 16 1 1 A 24 24 SER H H 24 8.217 8.029 0.188 1
1 194 . 16 1 1 A 24 24 SER HA H 24 3.980 4.039 -0.059 1
1 197 . 16 1 1 A 24 24 SER C C 24 176.910 176.572 0.338 1
1 198 . 16 1 1 A 24 24 SER CA C 24 61.457 61.414 0.043 1
1 199 . 16 1 1 A 24 24 SER CB C 24 61.986 63.161 -1.175 1
1 200 . 16 1 1 A 24 24 SER N N 24 113.056 113.823 -0.767 1
1 201 . 16 1 1 A 25 25 TYR H H 25 7.270 7.969 -0.699 1
1 202 . 16 1 1 A 25 25 TYR HA H 25 4.258 4.106 0.152 1
1 209 . 16 1 1 A 25 25 TYR C C 25 178.363 177.307 1.056 1
1 210 . 16 1 1 A 25 25 TYR CA C 25 59.989 61.856 -1.867 1
1 211 . 16 1 1 A 25 25 TYR CB C 25 37.656 38.413 -0.757 1
1 216 . 16 1 1 A 25 25 TYR N N 25 119.562 123.354 -3.792 1
1 217 . 16 1 1 A 26 26 LEU H H 26 7.354 7.647 -0.293 1
1 218 . 16 1 1 A 26 26 LEU HA H 26 3.466 1.740 1.726 1
1 228 . 16 1 1 A 26 26 LEU C C 26 177.513 178.174 -0.661 1
1 229 . 16 1 1 A 26 26 LEU CA C 26 58.142 57.554 0.588 1
1 230 . 16 1 1 A 26 26 LEU CB C 26 40.723 41.029 -0.306 1
1 234 . 16 1 1 A 26 26 LEU N N 26 122.537 120.060 2.477 1
1 235 . 16 1 1 A 27 27 ILE H H 27 8.244 7.456 0.788 1
1 236 . 16 1 1 A 27 27 ILE HA H 27 3.594 3.535 0.059 1
1 246 . 16 1 1 A 27 27 ILE C C 27 179.045 177.630 1.415 1
1 247 . 16 1 1 A 27 27 ILE CA C 27 65.264 65.275 -0.011 1
1 248 . 16 1 1 A 27 27 ILE CB C 27 37.650 37.748 -0.098 1
1 252 . 16 1 1 A 27 27 ILE N N 27 120.012 119.187 0.825 1
1 253 . 16 1 1 A 28 28 ILE H H 28 7.350 7.991 -0.641 1
1 254 . 16 1 1 A 28 28 ILE HA H 28 3.541 3.695 -0.154 1
1 264 . 16 1 1 A 28 28 ILE C C 28 179.008 178.574 0.434 1
1 265 . 16 1 1 A 28 28 ILE CA C 28 65.093 65.278 -0.185 1
1 266 . 16 1 1 A 28 28 ILE CB C 28 38.473 37.769 0.704 1
1 270 . 16 1 1 A 28 28 ILE N N 28 119.450 120.448 -0.998 1
1 271 . 16 1 1 A 29 29 HIS H H 29 7.774 7.968 -0.194 1
1 272 . 16 1 1 A 29 29 HIS HA H 29 4.210 4.376 -0.166 1
1 277 . 16 1 1 A 29 29 HIS C C 29 178.135 177.170 0.965 1
1 278 . 16 1 1 A 29 29 HIS CA C 29 59.320 59.459 -0.139 1
1 279 . 16 1 1 A 29 29 HIS CB C 29 28.240 30.222 -1.982 1
1 282 . 16 1 1 A 29 29 HIS N N 29 119.901 119.545 0.356 1
1 283 . 16 1 1 A 30 30 MET H H 30 8.859 8.210 0.649 1
1 284 . 16 1 1 A 30 30 MET HA H 30 4.061 3.830 0.231 1
1 292 . 16 1 1 A 30 30 MET C C 30 178.435 178.726 -0.291 1
1 293 . 16 1 1 A 30 30 MET CA C 30 58.334 58.888 -0.554 1
1 294 . 16 1 1 A 30 30 MET CB C 30 30.760 32.767 -2.007 1
1 297 . 16 1 1 A 30 30 MET N N 30 119.643 116.790 2.853 1
1 298 . 16 1 1 A 31 31 ARG H H 31 7.334 8.051 -0.717 1
1 299 . 16 1 1 A 31 31 ARG HA H 31 4.214 3.918 0.296 1
1 306 . 16 1 1 A 31 31 ARG C C 31 178.442 177.926 0.516 1
1 307 . 16 1 1 A 31 31 ARG CA C 31 58.742 59.675 -0.933 1
1 308 . 16 1 1 A 31 31 ARG CB C 31 29.921 29.962 -0.041 1
1 311 . 16 1 1 A 31 31 ARG N N 31 117.860 119.064 -1.204 1
1 312 . 16 1 1 A 32 32 THR H H 32 7.892 7.886 0.006 1
1 313 . 16 1 1 A 32 32 THR HA H 32 4.129 3.974 0.155 1
1 318 . 16 1 1 A 32 32 THR C C 32 175.441 177.116 -1.675 1
1 319 . 16 1 1 A 32 32 THR CA C 32 63.963 65.241 -1.278 1
1 320 . 16 1 1 A 32 32 THR CB C 32 69.388 67.870 1.518 1
1 322 . 16 1 1 A 32 32 THR N N 32 109.787 112.410 -2.623 1
1 323 . 16 1 1 A 33 33 HIS H H 33 7.270 7.514 -0.244 1
1 324 . 16 1 1 A 33 33 HIS HA H 33 4.921 4.336 0.585 1
1 329 . 16 1 1 A 33 33 HIS C C 33 175.596 176.629 -1.033 1
1 330 . 16 1 1 A 33 33 HIS CA C 33 55.469 58.784 -3.315 1
1 331 . 16 1 1 A 33 33 HIS CB C 33 28.877 29.694 -0.817 1
1 334 . 16 1 1 A 33 33 HIS N N 33 118.636 118.994 -0.358 1
1 335 . 16 1 1 A 34 34 THR H H 34 7.842 8.104 -0.262 1
1 336 . 16 1 1 A 34 34 THR HA H 34 4.377 4.152 0.225 1
1 341 . 16 1 1 A 34 34 THR C C 34 175.388 175.294 0.094 1
1 342 . 16 1 1 A 34 34 THR CA C 34 62.369 63.036 -0.667 1
1 343 . 16 1 1 A 34 34 THR CB C 34 69.883 68.579 1.304 1
1 345 . 16 1 1 A 34 34 THR N N 34 112.003 111.434 0.569 1
1 346 . 16 1 1 A 35 35 GLY H H 35 8.325 8.753 -0.428 1
1 347 . 16 1 1 A 35 35 GLY HA2 H 35 4.037 4.101 -0.064 1
1 348 . 16 1 1 A 35 35 GLY HA3 H 35 3.961 4.106 -0.145 1
1 349 . 16 1 1 A 35 35 GLY C C 35 174.027 174.870 -0.843 1
1 350 . 16 1 1 A 35 35 GLY CA C 35 45.420 45.299 0.121 1
1 351 . 16 1 1 A 35 35 GLY N N 35 110.924 115.782 -4.858 1
1 352 . 16 1 1 A 36 36 GLU H H 36 8.134 7.981 0.153 1
1 353 . 16 1 1 A 36 36 GLU HA H 36 4.252 4.374 -0.122 1
1 358 . 16 1 1 A 36 36 GLU C C 36 176.217 175.772 0.445 1
1 359 . 16 1 1 A 36 36 GLU CA C 36 56.529 56.211 0.318 1
1 360 . 16 1 1 A 36 36 GLU CB C 36 30.526 30.244 0.282 1
1 362 . 16 1 1 A 36 36 GLU N N 36 120.646 119.766 0.880 1
1 363 . 16 1 1 A 37 37 LYS H H 37 8.442 8.233 0.209 1
1 364 . 16 1 1 A 37 37 LYS HA H 37 4.624 4.433 0.191 1
1 373 . 16 1 1 A 37 37 LYS C C 37 174.470 176.701 -2.231 1
1 374 . 16 1 1 A 37 37 LYS CA C 37 54.105 54.482 -0.377 1
1 375 . 16 1 1 A 37 37 LYS CB C 37 32.513 33.385 -0.872 1
1 379 . 16 1 1 A 37 37 LYS N N 37 123.934 124.490 -0.556 1
1 380 . 16 1 1 A 38 38 PRO HA H 38 4.472 4.453 0.019 1
1 387 . 16 1 1 A 38 38 PRO C C 38 176.963 175.967 0.996 1
1 388 . 16 1 1 A 38 38 PRO CA C 38 63.242 64.865 -1.623 1
1 389 . 16 1 1 A 38 38 PRO CB C 38 32.184 32.071 0.113 1
1 392 . 16 1 1 A 39 39 SER H H 39 8.479 7.832 0.647 1
1 393 . 16 1 1 A 39 39 SER HA H 39 4.478 4.892 -0.414 1
1 396 . 16 1 1 A 39 39 SER C C 39 174.643 173.287 1.356 1
1 397 . 16 1 1 A 39 39 SER CA C 39 58.498 57.060 1.438 1
1 398 . 16 1 1 A 39 39 SER CB C 39 63.958 65.869 -1.911 1
1 399 . 16 1 1 A 39 39 SER N N 39 116.485 108.183 8.302 1
1 400 . 16 1 1 A 40 40 GLY H H 40 8.234 8.786 -0.552 1
1 401 . 16 1 1 A 40 40 GLY HA2 H 40 4.173 4.456 -0.283 1
1 402 . 16 1 1 A 40 40 GLY HA3 H 40 4.122 4.456 -0.334 1
1 403 . 16 1 1 A 40 40 GLY C C 40 171.735 171.945 -0.210 1
1 404 . 16 1 1 A 40 40 GLY CA C 40 44.655 45.640 -0.985 1
1 405 . 16 1 1 A 40 40 GLY N N 40 110.650 111.111 -0.461 1
1 406 . 16 1 1 A 41 41 PRO HA H 41 4.474 4.599 -0.125 1
1 413 . 16 1 1 A 41 41 PRO CA C 41 63.258 62.909 0.349 1
1 414 . 16 1 1 A 41 41 PRO CB C 41 32.111 31.705 0.406 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.954 4.241 -0.287 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.954 4.243 -0.289 1
1 3 . 17 1 1 A 7 7 GLY C C 7 173.934 174.750 -0.816 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.271 45.886 -0.615 1
1 5 . 17 1 1 A 8 8 VAL H H 8 7.897 7.752 0.145 1
1 6 . 17 1 1 A 8 8 VAL HA H 8 4.047 4.262 -0.215 1
1 14 . 17 1 1 A 8 8 VAL C C 8 175.891 176.062 -0.171 1
1 15 . 17 1 1 A 8 8 VAL CA C 8 62.520 63.241 -0.721 1
1 16 . 17 1 1 A 8 8 VAL CB C 8 32.445 32.848 -0.403 1
1 19 . 17 1 1 A 8 8 VAL N N 8 119.114 118.288 0.826 1
1 20 . 17 1 1 A 9 9 LYS H H 9 8.299 7.582 0.717 1
1 21 . 17 1 1 A 9 9 LYS HA H 9 4.522 4.768 -0.246 1
1 28 . 17 1 1 A 9 9 LYS C C 9 173.981 174.840 -0.859 1
1 29 . 17 1 1 A 9 9 LYS CA C 9 53.793 53.796 -0.003 1
1 30 . 17 1 1 A 9 9 LYS CB C 9 33.011 32.913 0.098 1
1 34 . 17 1 1 A 9 9 LYS N N 9 125.248 121.936 3.312 1
1 35 . 17 1 1 A 10 10 PRO HA H 10 4.290 4.398 -0.108 1
1 42 . 17 1 1 A 10 10 PRO C C 10 176.364 175.585 0.779 1
1 43 . 17 1 1 A 10 10 PRO CA C 10 63.426 64.271 -0.845 1
1 44 . 17 1 1 A 10 10 PRO CB C 10 32.209 31.598 0.611 1
1 47 . 17 1 1 A 11 11 TYR H H 11 7.981 7.561 0.420 1
1 48 . 17 1 1 A 11 11 TYR HA H 11 4.659 5.381 -0.722 1
1 55 . 17 1 1 A 11 11 TYR C C 11 175.225 175.682 -0.457 1
1 56 . 17 1 1 A 11 11 TYR CA C 11 57.195 56.175 1.020 1
1 57 . 17 1 1 A 11 11 TYR CB C 11 38.185 41.667 -3.482 1
1 62 . 17 1 1 A 11 11 TYR N N 11 117.941 119.170 -1.229 1
1 63 . 17 1 1 A 12 12 GLY H H 12 8.475 8.673 -0.198 1
1 64 . 17 1 1 A 12 12 GLY HA2 H 12 3.630 4.273 -0.643 1
1 65 . 17 1 1 A 12 12 GLY HA3 H 12 4.709 4.430 0.279 1
1 66 . 17 1 1 A 12 12 GLY C C 12 172.847 172.458 0.389 1
1 67 . 17 1 1 A 12 12 GLY CA C 12 44.512 46.295 -1.783 1
1 68 . 17 1 1 A 12 12 GLY N N 12 111.547 108.776 2.771 1
1 69 . 17 1 1 A 13 13 CYS H H 13 9.098 9.188 -0.090 1
1 70 . 17 1 1 A 13 13 CYS HA H 13 4.701 4.696 0.005 1
1 73 . 17 1 1 A 13 13 CYS C C 13 177.769 175.983 1.786 1
1 74 . 17 1 1 A 13 13 CYS CA C 13 59.277 59.207 0.070 1
1 75 . 17 1 1 A 13 13 CYS CB C 13 30.109 28.402 1.707 1
1 76 . 17 1 1 A 13 13 CYS N N 13 124.934 122.732 2.202 1
1 77 . 17 1 1 A 14 14 SER H H 14 9.169 9.220 -0.051 1
1 78 . 17 1 1 A 14 14 SER HA H 14 4.273 4.263 0.010 1
1 81 . 17 1 1 A 14 14 SER C C 14 174.567 176.844 -2.277 1
1 82 . 17 1 1 A 14 14 SER CA C 14 60.801 61.507 -0.706 1
1 83 . 17 1 1 A 14 14 SER CB C 14 63.065 62.911 0.154 1
1 84 . 17 1 1 A 14 14 SER N N 14 127.617 123.653 3.964 1
1 85 . 17 1 1 A 15 15 GLU H H 15 9.031 8.398 0.633 1
1 86 . 17 1 1 A 15 15 GLU HA H 15 4.274 3.968 0.306 1
1 91 . 17 1 1 A 15 15 GLU C C 15 177.149 178.135 -0.986 1
1 92 . 17 1 1 A 15 15 GLU CA C 15 57.715 59.507 -1.792 1
1 93 . 17 1 1 A 15 15 GLU CB C 15 29.512 29.198 0.314 1
1 95 . 17 1 1 A 15 15 GLU N N 15 123.683 120.738 2.945 1
1 96 . 17 1 1 A 16 16 CYS H H 16 8.253 7.926 0.327 1
1 97 . 17 1 1 A 16 16 CYS HA H 16 5.178 4.612 0.566 1
1 100 . 17 1 1 A 16 16 CYS C C 16 176.203 175.296 0.907 1
1 101 . 17 1 1 A 16 16 CYS CA C 16 58.466 59.627 -1.161 1
1 102 . 17 1 1 A 16 16 CYS CB C 16 32.439 29.568 2.871 1
1 103 . 17 1 1 A 16 16 CYS N N 16 116.046 115.117 0.929 1
1 104 . 17 1 1 A 17 17 GLY H H 17 8.087 7.953 0.134 1
1 105 . 17 1 1 A 17 17 GLY HA2 H 17 3.882 4.092 -0.210 1
1 106 . 17 1 1 A 17 17 GLY HA3 H 17 4.225 4.111 0.114 1
1 107 . 17 1 1 A 17 17 GLY C C 17 174.332 174.174 0.158 1
1 108 . 17 1 1 A 17 17 GLY CA C 17 46.224 45.986 0.238 1
1 109 . 17 1 1 A 17 17 GLY N N 17 112.453 110.063 2.390 1
1 110 . 17 1 1 A 18 18 LYS H H 18 7.998 7.868 0.130 1
1 111 . 17 1 1 A 18 18 LYS HA H 18 4.011 4.844 -0.833 1
1 120 . 17 1 1 A 18 18 LYS C C 18 173.574 174.933 -1.359 1
1 121 . 17 1 1 A 18 18 LYS CA C 18 58.142 54.131 4.011 1
1 122 . 17 1 1 A 18 18 LYS CB C 18 33.979 35.688 -1.709 1
1 126 . 17 1 1 A 18 18 LYS N N 18 123.407 118.969 4.438 1
1 127 . 17 1 1 A 19 19 ALA H H 19 7.768 8.399 -0.631 1
1 128 . 17 1 1 A 19 19 ALA HA H 19 5.057 5.600 -0.543 1
1 132 . 17 1 1 A 19 19 ALA C C 19 176.149 175.467 0.682 1
1 133 . 17 1 1 A 19 19 ALA CA C 19 50.649 49.998 0.651 1
1 134 . 17 1 1 A 19 19 ALA CB C 19 22.135 23.405 -1.270 1
1 135 . 17 1 1 A 19 19 ALA N N 19 122.869 121.177 1.692 1
1 136 . 17 1 1 A 20 20 PHE H H 20 8.400 8.676 -0.276 1
1 137 . 17 1 1 A 20 20 PHE HA H 20 4.787 5.135 -0.348 1
1 145 . 17 1 1 A 20 20 PHE C C 20 175.996 174.820 1.176 1
1 146 . 17 1 1 A 20 20 PHE CA C 20 57.402 56.472 0.930 1
1 147 . 17 1 1 A 20 20 PHE CB C 20 44.177 43.136 1.041 1
1 153 . 17 1 1 A 20 20 PHE N N 20 116.260 116.120 0.140 1
1 154 . 17 1 1 A 21 21 ARG H H 21 9.316 8.998 0.318 1
1 155 . 17 1 1 A 21 21 ARG HA H 21 4.478 4.625 -0.147 1
1 162 . 17 1 1 A 21 21 ARG C C 21 175.389 175.449 -0.060 1
1 163 . 17 1 1 A 21 21 ARG CA C 21 57.837 55.561 2.276 1
1 164 . 17 1 1 A 21 21 ARG CB C 21 31.184 29.885 1.299 1
1 167 . 17 1 1 A 21 21 ARG N N 21 119.000 125.562 -6.562 1
1 168 . 17 1 1 A 22 22 SER H H 22 7.474 7.990 -0.516 1
1 169 . 17 1 1 A 22 22 SER HA H 22 4.696 4.778 -0.082 1
1 172 . 17 1 1 A 22 22 SER C C 22 173.464 173.993 -0.529 1
1 173 . 17 1 1 A 22 22 SER CA C 22 55.901 57.161 -1.260 1
1 174 . 17 1 1 A 22 22 SER CB C 22 66.117 65.962 0.155 1
1 175 . 17 1 1 A 22 22 SER N N 22 109.845 115.882 -6.037 1
1 176 . 17 1 1 A 23 23 LYS H H 23 8.388 8.599 -0.211 1
1 177 . 17 1 1 A 23 23 LYS HA H 23 3.324 2.570 0.754 1
1 186 . 17 1 1 A 23 23 LYS C C 23 178.109 178.151 -0.042 1
1 187 . 17 1 1 A 23 23 LYS CA C 23 58.994 59.640 -0.646 1
1 188 . 17 1 1 A 23 23 LYS CB C 23 31.895 32.165 -0.270 1
1 192 . 17 1 1 A 23 23 LYS N N 23 125.361 127.650 -2.289 1
1 193 . 17 1 1 A 24 24 SER H H 24 8.217 8.140 0.077 1
1 194 . 17 1 1 A 24 24 SER HA H 24 3.980 4.097 -0.117 1
1 197 . 17 1 1 A 24 24 SER C C 24 176.910 175.698 1.212 1
1 198 . 17 1 1 A 24 24 SER CA C 24 61.457 62.035 -0.578 1
1 199 . 17 1 1 A 24 24 SER CB C 24 61.986 62.609 -0.623 1
1 200 . 17 1 1 A 24 24 SER N N 24 113.056 114.910 -1.854 1
1 201 . 17 1 1 A 25 25 TYR H H 25 7.270 8.331 -1.061 1
1 202 . 17 1 1 A 25 25 TYR HA H 25 4.258 4.044 0.214 1
1 209 . 17 1 1 A 25 25 TYR C C 25 178.363 177.243 1.120 1
1 210 . 17 1 1 A 25 25 TYR CA C 25 59.989 61.943 -1.954 1
1 211 . 17 1 1 A 25 25 TYR CB C 25 37.656 38.850 -1.194 1
1 216 . 17 1 1 A 25 25 TYR N N 25 119.562 122.790 -3.228 1
1 217 . 17 1 1 A 26 26 LEU H H 26 7.354 7.714 -0.360 1
1 218 . 17 1 1 A 26 26 LEU HA H 26 3.466 2.654 0.812 1
1 228 . 17 1 1 A 26 26 LEU C C 26 177.513 178.290 -0.777 1
1 229 . 17 1 1 A 26 26 LEU CA C 26 58.142 57.708 0.434 1
1 230 . 17 1 1 A 26 26 LEU CB C 26 40.723 41.347 -0.624 1
1 234 . 17 1 1 A 26 26 LEU N N 26 122.537 120.147 2.390 1
1 235 . 17 1 1 A 27 27 ILE H H 27 8.244 7.675 0.569 1
1 236 . 17 1 1 A 27 27 ILE HA H 27 3.594 3.504 0.090 1
1 246 . 17 1 1 A 27 27 ILE C C 27 179.045 178.110 0.935 1
1 247 . 17 1 1 A 27 27 ILE CA C 27 65.264 65.048 0.216 1
1 248 . 17 1 1 A 27 27 ILE CB C 27 37.650 37.751 -0.101 1
1 252 . 17 1 1 A 27 27 ILE N N 27 120.012 119.371 0.641 1
1 253 . 17 1 1 A 28 28 ILE H H 28 7.350 7.745 -0.395 1
1 254 . 17 1 1 A 28 28 ILE HA H 28 3.541 3.564 -0.023 1
1 264 . 17 1 1 A 28 28 ILE C C 28 179.008 177.462 1.546 1
1 265 . 17 1 1 A 28 28 ILE CA C 28 65.093 64.684 0.409 1
1 266 . 17 1 1 A 28 28 ILE CB C 28 38.473 37.742 0.731 1
1 270 . 17 1 1 A 28 28 ILE N N 28 119.450 121.417 -1.967 1
1 271 . 17 1 1 A 29 29 HIS H H 29 7.774 8.191 -0.417 1
1 272 . 17 1 1 A 29 29 HIS HA H 29 4.210 4.116 0.094 1
1 277 . 17 1 1 A 29 29 HIS C C 29 178.135 177.173 0.962 1
1 278 . 17 1 1 A 29 29 HIS CA C 29 59.320 58.273 1.047 1
1 279 . 17 1 1 A 29 29 HIS CB C 29 28.240 30.235 -1.995 1
1 282 . 17 1 1 A 29 29 HIS N N 29 119.901 120.635 -0.734 1
1 283 . 17 1 1 A 30 30 MET H H 30 8.859 8.181 0.678 1
1 284 . 17 1 1 A 30 30 MET HA H 30 4.061 4.373 -0.312 1
1 292 . 17 1 1 A 30 30 MET C C 30 178.435 177.619 0.816 1
1 293 . 17 1 1 A 30 30 MET CA C 30 58.334 56.931 1.403 1
1 294 . 17 1 1 A 30 30 MET CB C 30 30.760 32.046 -1.286 1
1 297 . 17 1 1 A 30 30 MET N N 30 119.643 117.592 2.051 1
1 298 . 17 1 1 A 31 31 ARG H H 31 7.334 8.511 -1.177 1
1 299 . 17 1 1 A 31 31 ARG HA H 31 4.214 4.062 0.152 1
1 306 . 17 1 1 A 31 31 ARG C C 31 178.442 178.412 0.030 1
1 307 . 17 1 1 A 31 31 ARG CA C 31 58.742 58.787 -0.045 1
1 308 . 17 1 1 A 31 31 ARG CB C 31 29.921 29.884 0.037 1
1 311 . 17 1 1 A 31 31 ARG N N 31 117.860 119.214 -1.354 1
1 312 . 17 1 1 A 32 32 THR H H 32 7.892 7.831 0.061 1
1 313 . 17 1 1 A 32 32 THR HA H 32 4.129 3.911 0.218 1
1 318 . 17 1 1 A 32 32 THR C C 32 175.441 176.514 -1.073 1
1 319 . 17 1 1 A 32 32 THR CA C 32 63.963 65.532 -1.569 1
1 320 . 17 1 1 A 32 32 THR CB C 32 69.388 68.393 0.995 1
1 322 . 17 1 1 A 32 32 THR N N 32 109.787 115.033 -5.246 1
1 323 . 17 1 1 A 33 33 HIS H H 33 7.270 7.661 -0.391 1
1 324 . 17 1 1 A 33 33 HIS HA H 33 4.921 4.321 0.600 1
1 329 . 17 1 1 A 33 33 HIS C C 33 175.596 175.108 0.488 1
1 330 . 17 1 1 A 33 33 HIS CA C 33 55.469 58.824 -3.355 1
1 331 . 17 1 1 A 33 33 HIS CB C 33 28.877 29.763 -0.886 1
1 334 . 17 1 1 A 33 33 HIS N N 33 118.636 117.626 1.010 1
1 335 . 17 1 1 A 34 34 THR H H 34 7.842 7.937 -0.095 1
1 336 . 17 1 1 A 34 34 THR HA H 34 4.377 4.722 -0.345 1
1 341 . 17 1 1 A 34 34 THR C C 34 175.388 173.036 2.352 1
1 342 . 17 1 1 A 34 34 THR CA C 34 62.369 59.453 2.916 1
1 343 . 17 1 1 A 34 34 THR CB C 34 69.883 72.108 -2.225 1
1 345 . 17 1 1 A 34 34 THR N N 34 112.003 110.836 1.167 1
1 346 . 17 1 1 A 35 35 GLY H H 35 8.325 8.262 0.063 1
1 347 . 17 1 1 A 35 35 GLY HA2 H 35 4.037 4.093 -0.056 1
1 348 . 17 1 1 A 35 35 GLY HA3 H 35 3.961 4.096 -0.135 1
1 349 . 17 1 1 A 35 35 GLY C C 35 174.027 174.154 -0.127 1
1 350 . 17 1 1 A 35 35 GLY CA C 35 45.420 45.421 -0.001 1
1 351 . 17 1 1 A 35 35 GLY N N 35 110.924 112.917 -1.993 1
1 352 . 17 1 1 A 36 36 GLU H H 36 8.134 8.207 -0.073 1
1 353 . 17 1 1 A 36 36 GLU HA H 36 4.252 4.046 0.206 1
1 358 . 17 1 1 A 36 36 GLU C C 36 176.217 176.154 0.063 1
1 359 . 17 1 1 A 36 36 GLU CA C 36 56.529 57.250 -0.721 1
1 360 . 17 1 1 A 36 36 GLU CB C 36 30.526 27.474 3.052 1
1 362 . 17 1 1 A 36 36 GLU N N 36 120.646 116.828 3.818 1
1 363 . 17 1 1 A 37 37 LYS H H 37 8.442 7.584 0.858 1
1 364 . 17 1 1 A 37 37 LYS HA H 37 4.624 4.501 0.123 1
1 373 . 17 1 1 A 37 37 LYS C C 37 174.470 175.696 -1.226 1
1 374 . 17 1 1 A 37 37 LYS CA C 37 54.105 55.164 -1.059 1
1 375 . 17 1 1 A 37 37 LYS CB C 37 32.513 32.236 0.277 1
1 379 . 17 1 1 A 37 37 LYS N N 37 123.934 118.020 5.914 1
1 380 . 17 1 1 A 38 38 PRO HA H 38 4.472 4.724 -0.252 1
1 387 . 17 1 1 A 38 38 PRO C C 38 176.963 176.516 0.447 1
1 388 . 17 1 1 A 38 38 PRO CA C 38 63.242 62.804 0.438 1
1 389 . 17 1 1 A 38 38 PRO CB C 38 32.184 31.823 0.361 1
1 392 . 17 1 1 A 39 39 SER H H 39 8.479 8.343 0.136 1
1 393 . 17 1 1 A 39 39 SER HA H 39 4.478 5.214 -0.736 1
1 396 . 17 1 1 A 39 39 SER C C 39 174.643 173.755 0.888 1
1 397 . 17 1 1 A 39 39 SER CA C 39 58.498 56.794 1.704 1
1 398 . 17 1 1 A 39 39 SER CB C 39 63.958 64.758 -0.800 1
1 399 . 17 1 1 A 39 39 SER N N 39 116.485 115.159 1.326 1
1 400 . 17 1 1 A 40 40 GLY H H 40 8.234 8.252 -0.018 1
1 401 . 17 1 1 A 40 40 GLY HA2 H 40 4.173 4.008 0.165 1
1 402 . 17 1 1 A 40 40 GLY HA3 H 40 4.122 4.008 0.114 1
1 403 . 17 1 1 A 40 40 GLY C C 40 171.735 174.131 -2.396 1
1 404 . 17 1 1 A 40 40 GLY CA C 40 44.655 45.743 -1.088 1
1 405 . 17 1 1 A 40 40 GLY N N 40 110.650 109.081 1.569 1
1 406 . 17 1 1 A 41 41 PRO HA H 41 4.474 4.478 -0.004 1
1 413 . 17 1 1 A 41 41 PRO CA C 41 63.258 63.582 -0.324 1
1 414 . 17 1 1 A 41 41 PRO CB C 41 32.111 31.995 0.116 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.954 4.333 -0.379 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.954 4.335 -0.381 1
1 3 . 18 1 1 A 7 7 GLY C C 7 173.934 173.888 0.046 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.271 44.619 0.652 1
1 5 . 18 1 1 A 8 8 VAL H H 8 7.897 8.714 -0.817 1
1 6 . 18 1 1 A 8 8 VAL HA H 8 4.047 3.867 0.180 1
1 14 . 18 1 1 A 8 8 VAL C C 8 175.891 176.057 -0.166 1
1 15 . 18 1 1 A 8 8 VAL CA C 8 62.520 63.336 -0.816 1
1 16 . 18 1 1 A 8 8 VAL CB C 8 32.445 31.620 0.825 1
1 19 . 18 1 1 A 8 8 VAL N N 8 119.114 125.199 -6.085 1
1 20 . 18 1 1 A 9 9 LYS H H 9 8.299 8.463 -0.164 1
1 21 . 18 1 1 A 9 9 LYS HA H 9 4.522 4.790 -0.268 1
1 28 . 18 1 1 A 9 9 LYS C C 9 173.981 176.227 -2.246 1
1 29 . 18 1 1 A 9 9 LYS CA C 9 53.793 53.403 0.390 1
1 30 . 18 1 1 A 9 9 LYS CB C 9 33.011 32.566 0.445 1
1 34 . 18 1 1 A 9 9 LYS N N 9 125.248 124.655 0.593 1
1 35 . 18 1 1 A 10 10 PRO HA H 10 4.290 4.405 -0.115 1
1 42 . 18 1 1 A 10 10 PRO C C 10 176.364 175.773 0.591 1
1 43 . 18 1 1 A 10 10 PRO CA C 10 63.426 64.352 -0.926 1
1 44 . 18 1 1 A 10 10 PRO CB C 10 32.209 31.488 0.721 1
1 47 . 18 1 1 A 11 11 TYR H H 11 7.981 7.531 0.450 1
1 48 . 18 1 1 A 11 11 TYR HA H 11 4.659 5.298 -0.639 1
1 55 . 18 1 1 A 11 11 TYR C C 11 175.225 175.508 -0.283 1
1 56 . 18 1 1 A 11 11 TYR CA C 11 57.195 56.157 1.038 1
1 57 . 18 1 1 A 11 11 TYR CB C 11 38.185 41.281 -3.096 1
1 62 . 18 1 1 A 11 11 TYR N N 11 117.941 118.172 -0.231 1
1 63 . 18 1 1 A 12 12 GLY H H 12 8.475 8.981 -0.506 1
1 64 . 18 1 1 A 12 12 GLY HA2 H 12 3.630 4.394 -0.764 1
1 65 . 18 1 1 A 12 12 GLY HA3 H 12 4.709 4.431 0.278 1
1 66 . 18 1 1 A 12 12 GLY C C 12 172.847 172.727 0.120 1
1 67 . 18 1 1 A 12 12 GLY CA C 12 44.512 45.021 -0.509 1
1 68 . 18 1 1 A 12 12 GLY N N 12 111.547 110.857 0.690 1
1 69 . 18 1 1 A 13 13 CYS H H 13 9.098 8.787 0.311 1
1 70 . 18 1 1 A 13 13 CYS HA H 13 4.701 4.692 0.009 1
1 73 . 18 1 1 A 13 13 CYS C C 13 177.769 176.066 1.703 1
1 74 . 18 1 1 A 13 13 CYS CA C 13 59.277 59.883 -0.606 1
1 75 . 18 1 1 A 13 13 CYS CB C 13 30.109 28.830 1.279 1
1 76 . 18 1 1 A 13 13 CYS N N 13 124.934 124.145 0.789 1
1 77 . 18 1 1 A 14 14 SER H H 14 9.169 9.093 0.076 1
1 78 . 18 1 1 A 14 14 SER HA H 14 4.273 4.286 -0.013 1
1 81 . 18 1 1 A 14 14 SER C C 14 174.567 176.376 -1.809 1
1 82 . 18 1 1 A 14 14 SER CA C 14 60.801 61.708 -0.907 1
1 83 . 18 1 1 A 14 14 SER CB C 14 63.065 62.543 0.522 1
1 84 . 18 1 1 A 14 14 SER N N 14 127.617 123.044 4.573 1
1 85 . 18 1 1 A 15 15 GLU H H 15 9.031 8.263 0.768 1
1 86 . 18 1 1 A 15 15 GLU HA H 15 4.274 3.955 0.319 1
1 91 . 18 1 1 A 15 15 GLU C C 15 177.149 178.116 -0.967 1
1 92 . 18 1 1 A 15 15 GLU CA C 15 57.715 59.545 -1.830 1
1 93 . 18 1 1 A 15 15 GLU CB C 15 29.512 29.179 0.333 1
1 95 . 18 1 1 A 15 15 GLU N N 15 123.683 122.019 1.664 1
1 96 . 18 1 1 A 16 16 CYS H H 16 8.253 7.883 0.370 1
1 97 . 18 1 1 A 16 16 CYS HA H 16 5.178 4.629 0.549 1
1 100 . 18 1 1 A 16 16 CYS C C 16 176.203 175.309 0.894 1
1 101 . 18 1 1 A 16 16 CYS CA C 16 58.466 59.730 -1.264 1
1 102 . 18 1 1 A 16 16 CYS CB C 16 32.439 29.645 2.794 1
1 103 . 18 1 1 A 16 16 CYS N N 16 116.046 115.114 0.932 1
1 104 . 18 1 1 A 17 17 GLY H H 17 8.087 8.131 -0.044 1
1 105 . 18 1 1 A 17 17 GLY HA2 H 17 3.882 4.017 -0.135 1
1 106 . 18 1 1 A 17 17 GLY HA3 H 17 4.225 4.024 0.201 1
1 107 . 18 1 1 A 17 17 GLY C C 17 174.332 174.042 0.290 1
1 108 . 18 1 1 A 17 17 GLY CA C 17 46.224 46.178 0.046 1
1 109 . 18 1 1 A 17 17 GLY N N 17 112.453 110.066 2.387 1
1 110 . 18 1 1 A 18 18 LYS H H 18 7.998 7.648 0.350 1
1 111 . 18 1 1 A 18 18 LYS HA H 18 4.011 4.754 -0.743 1
1 120 . 18 1 1 A 18 18 LYS C C 18 173.574 174.804 -1.230 1
1 121 . 18 1 1 A 18 18 LYS CA C 18 58.142 54.104 4.038 1
1 122 . 18 1 1 A 18 18 LYS CB C 18 33.979 35.875 -1.896 1
1 126 . 18 1 1 A 18 18 LYS N N 18 123.407 118.631 4.776 1
1 127 . 18 1 1 A 19 19 ALA H H 19 7.768 8.130 -0.362 1
1 128 . 18 1 1 A 19 19 ALA HA H 19 5.057 5.178 -0.121 1
1 132 . 18 1 1 A 19 19 ALA C C 19 176.149 174.904 1.245 1
1 133 . 18 1 1 A 19 19 ALA CA C 19 50.649 50.270 0.379 1
1 134 . 18 1 1 A 19 19 ALA CB C 19 22.135 24.028 -1.893 1
1 135 . 18 1 1 A 19 19 ALA N N 19 122.869 120.496 2.373 1
1 136 . 18 1 1 A 20 20 PHE H H 20 8.400 8.440 -0.040 1
1 137 . 18 1 1 A 20 20 PHE HA H 20 4.787 4.904 -0.117 1
1 145 . 18 1 1 A 20 20 PHE C C 20 175.996 175.849 0.147 1
1 146 . 18 1 1 A 20 20 PHE CA C 20 57.402 56.285 1.117 1
1 147 . 18 1 1 A 20 20 PHE CB C 20 44.177 42.184 1.993 1
1 153 . 18 1 1 A 20 20 PHE N N 20 116.260 115.144 1.116 1
1 154 . 18 1 1 A 21 21 ARG H H 21 9.316 8.876 0.440 1
1 155 . 18 1 1 A 21 21 ARG HA H 21 4.478 4.203 0.275 1
1 162 . 18 1 1 A 21 21 ARG C C 21 175.389 176.538 -1.149 1
1 163 . 18 1 1 A 21 21 ARG CA C 21 57.837 58.946 -1.109 1
1 164 . 18 1 1 A 21 21 ARG CB C 21 31.184 29.915 1.269 1
1 167 . 18 1 1 A 21 21 ARG N N 21 119.000 124.467 -5.467 1
1 168 . 18 1 1 A 22 22 SER H H 22 7.474 8.228 -0.754 1
1 169 . 18 1 1 A 22 22 SER HA H 22 4.696 4.980 -0.284 1
1 172 . 18 1 1 A 22 22 SER C C 22 173.464 174.833 -1.369 1
1 173 . 18 1 1 A 22 22 SER CA C 22 55.901 57.182 -1.281 1
1 174 . 18 1 1 A 22 22 SER CB C 22 66.117 66.223 -0.106 1
1 175 . 18 1 1 A 22 22 SER N N 22 109.845 114.380 -4.535 1
1 176 . 18 1 1 A 23 23 LYS H H 23 8.388 8.721 -0.333 1
1 177 . 18 1 1 A 23 23 LYS HA H 23 3.324 3.301 0.023 1
1 186 . 18 1 1 A 23 23 LYS C C 23 178.109 178.053 0.056 1
1 187 . 18 1 1 A 23 23 LYS CA C 23 58.994 58.695 0.299 1
1 188 . 18 1 1 A 23 23 LYS CB C 23 31.895 32.343 -0.448 1
1 192 . 18 1 1 A 23 23 LYS N N 23 125.361 125.447 -0.086 1
1 193 . 18 1 1 A 24 24 SER H H 24 8.217 8.229 -0.012 1
1 194 . 18 1 1 A 24 24 SER HA H 24 3.980 4.096 -0.116 1
1 197 . 18 1 1 A 24 24 SER C C 24 176.910 176.519 0.391 1
1 198 . 18 1 1 A 24 24 SER CA C 24 61.457 61.573 -0.116 1
1 199 . 18 1 1 A 24 24 SER CB C 24 61.986 62.468 -0.482 1
1 200 . 18 1 1 A 24 24 SER N N 24 113.056 114.809 -1.753 1
1 201 . 18 1 1 A 25 25 TYR H H 25 7.270 8.194 -0.924 1
1 202 . 18 1 1 A 25 25 TYR HA H 25 4.258 4.269 -0.011 1
1 209 . 18 1 1 A 25 25 TYR C C 25 178.363 177.562 0.801 1
1 210 . 18 1 1 A 25 25 TYR CA C 25 59.989 60.742 -0.753 1
1 211 . 18 1 1 A 25 25 TYR CB C 25 37.656 37.950 -0.294 1
1 216 . 18 1 1 A 25 25 TYR N N 25 119.562 119.316 0.246 1
1 217 . 18 1 1 A 26 26 LEU H H 26 7.354 7.964 -0.610 1
1 218 . 18 1 1 A 26 26 LEU HA H 26 3.466 2.517 0.949 1
1 228 . 18 1 1 A 26 26 LEU C C 26 177.513 178.299 -0.786 1
1 229 . 18 1 1 A 26 26 LEU CA C 26 58.142 57.767 0.375 1
1 230 . 18 1 1 A 26 26 LEU CB C 26 40.723 41.538 -0.815 1
1 234 . 18 1 1 A 26 26 LEU N N 26 122.537 120.446 2.091 1
1 235 . 18 1 1 A 27 27 ILE H H 27 8.244 7.587 0.657 1
1 236 . 18 1 1 A 27 27 ILE HA H 27 3.594 3.516 0.078 1
1 246 . 18 1 1 A 27 27 ILE C C 27 179.045 177.633 1.412 1
1 247 . 18 1 1 A 27 27 ILE CA C 27 65.264 65.257 0.007 1
1 248 . 18 1 1 A 27 27 ILE CB C 27 37.650 37.707 -0.057 1
1 252 . 18 1 1 A 27 27 ILE N N 27 120.012 119.295 0.717 1
1 253 . 18 1 1 A 28 28 ILE H H 28 7.350 7.909 -0.559 1
1 254 . 18 1 1 A 28 28 ILE HA H 28 3.541 3.730 -0.189 1
1 264 . 18 1 1 A 28 28 ILE C C 28 179.008 178.230 0.778 1
1 265 . 18 1 1 A 28 28 ILE CA C 28 65.093 64.955 0.138 1
1 266 . 18 1 1 A 28 28 ILE CB C 28 38.473 37.811 0.662 1
1 270 . 18 1 1 A 28 28 ILE N N 28 119.450 120.324 -0.874 1
1 271 . 18 1 1 A 29 29 HIS H H 29 7.774 7.709 0.065 1
1 272 . 18 1 1 A 29 29 HIS HA H 29 4.210 4.204 0.006 1
1 277 . 18 1 1 A 29 29 HIS C C 29 178.135 176.651 1.484 1
1 278 . 18 1 1 A 29 29 HIS CA C 29 59.320 58.793 0.527 1
1 279 . 18 1 1 A 29 29 HIS CB C 29 28.240 30.015 -1.775 1
1 282 . 18 1 1 A 29 29 HIS N N 29 119.901 120.969 -1.068 1
1 283 . 18 1 1 A 30 30 MET H H 30 8.859 8.076 0.783 1
1 284 . 18 1 1 A 30 30 MET HA H 30 4.061 4.580 -0.519 1
1 292 . 18 1 1 A 30 30 MET C C 30 178.435 177.105 1.330 1
1 293 . 18 1 1 A 30 30 MET CA C 30 58.334 54.750 3.584 1
1 294 . 18 1 1 A 30 30 MET CB C 30 30.760 31.968 -1.208 1
1 297 . 18 1 1 A 30 30 MET N N 30 119.643 117.167 2.476 1
1 298 . 18 1 1 A 31 31 ARG H H 31 7.334 8.512 -1.178 1
1 299 . 18 1 1 A 31 31 ARG HA H 31 4.214 4.094 0.120 1
1 306 . 18 1 1 A 31 31 ARG C C 31 178.442 178.397 0.045 1
1 307 . 18 1 1 A 31 31 ARG CA C 31 58.742 58.890 -0.148 1
1 308 . 18 1 1 A 31 31 ARG CB C 31 29.921 30.134 -0.213 1
1 311 . 18 1 1 A 31 31 ARG N N 31 117.860 119.614 -1.754 1
1 312 . 18 1 1 A 32 32 THR H H 32 7.892 7.838 0.054 1
1 313 . 18 1 1 A 32 32 THR HA H 32 4.129 3.952 0.177 1
1 318 . 18 1 1 A 32 32 THR C C 32 175.441 176.528 -1.087 1
1 319 . 18 1 1 A 32 32 THR CA C 32 63.963 65.083 -1.120 1
1 320 . 18 1 1 A 32 32 THR CB C 32 69.388 68.574 0.814 1
1 322 . 18 1 1 A 32 32 THR N N 32 109.787 115.155 -5.368 1
1 323 . 18 1 1 A 33 33 HIS H H 33 7.270 7.651 -0.381 1
1 324 . 18 1 1 A 33 33 HIS HA H 33 4.921 4.400 0.521 1
1 329 . 18 1 1 A 33 33 HIS C C 33 175.596 175.728 -0.132 1
1 330 . 18 1 1 A 33 33 HIS CA C 33 55.469 58.868 -3.399 1
1 331 . 18 1 1 A 33 33 HIS CB C 33 28.877 29.737 -0.860 1
1 334 . 18 1 1 A 33 33 HIS N N 33 118.636 118.247 0.389 1
1 335 . 18 1 1 A 34 34 THR H H 34 7.842 7.597 0.245 1
1 336 . 18 1 1 A 34 34 THR HA H 34 4.377 4.565 -0.188 1
1 341 . 18 1 1 A 34 34 THR C C 34 175.388 174.531 0.857 1
1 342 . 18 1 1 A 34 34 THR CA C 34 62.369 60.996 1.373 1
1 343 . 18 1 1 A 34 34 THR CB C 34 69.883 69.398 0.485 1
1 345 . 18 1 1 A 34 34 THR N N 34 112.003 105.173 6.830 1
1 346 . 18 1 1 A 35 35 GLY H H 35 8.325 8.277 0.048 1
1 347 . 18 1 1 A 35 35 GLY HA2 H 35 4.037 4.197 -0.160 1
1 348 . 18 1 1 A 35 35 GLY HA3 H 35 3.961 4.201 -0.240 1
1 349 . 18 1 1 A 35 35 GLY C C 35 174.027 173.280 0.747 1
1 350 . 18 1 1 A 35 35 GLY CA C 35 45.420 44.661 0.759 1
1 351 . 18 1 1 A 35 35 GLY N N 35 110.924 113.520 -2.596 1
1 352 . 18 1 1 A 36 36 GLU H H 36 8.134 8.485 -0.351 1
1 353 . 18 1 1 A 36 36 GLU HA H 36 4.252 4.716 -0.464 1
1 358 . 18 1 1 A 36 36 GLU C C 36 176.217 176.548 -0.331 1
1 359 . 18 1 1 A 36 36 GLU CA C 36 56.529 55.235 1.294 1
1 360 . 18 1 1 A 36 36 GLU CB C 36 30.526 29.900 0.626 1
1 362 . 18 1 1 A 36 36 GLU N N 36 120.646 122.021 -1.375 1
1 363 . 18 1 1 A 37 37 LYS H H 37 8.442 8.516 -0.074 1
1 364 . 18 1 1 A 37 37 LYS HA H 37 4.624 3.988 0.636 1
1 373 . 18 1 1 A 37 37 LYS C C 37 174.470 176.572 -2.102 1
1 374 . 18 1 1 A 37 37 LYS CA C 37 54.105 57.059 -2.954 1
1 375 . 18 1 1 A 37 37 LYS CB C 37 32.513 30.149 2.364 1
1 379 . 18 1 1 A 37 37 LYS N N 37 123.934 121.958 1.976 1
1 380 . 18 1 1 A 38 38 PRO HA H 38 4.472 4.578 -0.106 1
1 387 . 18 1 1 A 38 38 PRO C C 38 176.963 176.733 0.230 1
1 388 . 18 1 1 A 38 38 PRO CA C 38 63.242 62.571 0.671 1
1 389 . 18 1 1 A 38 38 PRO CB C 38 32.184 30.505 1.679 1
1 392 . 18 1 1 A 39 39 SER H H 39 8.479 8.137 0.342 1
1 393 . 18 1 1 A 39 39 SER HA H 39 4.478 4.460 0.018 1
1 396 . 18 1 1 A 39 39 SER C C 39 174.643 174.233 0.410 1
1 397 . 18 1 1 A 39 39 SER CA C 39 58.498 59.089 -0.591 1
1 398 . 18 1 1 A 39 39 SER CB C 39 63.958 62.463 1.495 1
1 399 . 18 1 1 A 39 39 SER N N 39 116.485 117.330 -0.845 1
1 400 . 18 1 1 A 40 40 GLY H H 40 8.234 8.449 -0.215 1
1 401 . 18 1 1 A 40 40 GLY HA2 H 40 4.173 4.158 0.015 1
1 402 . 18 1 1 A 40 40 GLY HA3 H 40 4.122 4.159 -0.037 1
1 403 . 18 1 1 A 40 40 GLY C C 40 171.735 173.947 -2.212 1
1 404 . 18 1 1 A 40 40 GLY CA C 40 44.655 44.891 -0.236 1
1 405 . 18 1 1 A 40 40 GLY N N 40 110.650 111.751 -1.101 1
1 406 . 18 1 1 A 41 41 PRO HA H 41 4.474 4.498 -0.024 1
1 413 . 18 1 1 A 41 41 PRO CA C 41 63.258 63.895 -0.637 1
1 414 . 18 1 1 A 41 41 PRO CB C 41 32.111 31.790 0.321 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.954 4.089 -0.135 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.954 4.093 -0.139 1
1 3 . 19 1 1 A 7 7 GLY C C 7 173.934 172.792 1.142 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.271 45.443 -0.172 1
1 5 . 19 1 1 A 8 8 VAL H H 8 7.897 8.731 -0.834 1
1 6 . 19 1 1 A 8 8 VAL HA H 8 4.047 4.108 -0.061 1
1 14 . 19 1 1 A 8 8 VAL C C 8 175.891 175.292 0.599 1
1 15 . 19 1 1 A 8 8 VAL CA C 8 62.520 62.638 -0.118 1
1 16 . 19 1 1 A 8 8 VAL CB C 8 32.445 31.159 1.286 1
1 19 . 19 1 1 A 8 8 VAL N N 8 119.114 125.594 -6.480 1
1 20 . 19 1 1 A 9 9 LYS H H 9 8.299 8.364 -0.065 1
1 21 . 19 1 1 A 9 9 LYS HA H 9 4.522 4.988 -0.466 1
1 28 . 19 1 1 A 9 9 LYS C C 9 173.981 175.431 -1.450 1
1 29 . 19 1 1 A 9 9 LYS CA C 9 53.793 53.354 0.439 1
1 30 . 19 1 1 A 9 9 LYS CB C 9 33.011 32.865 0.146 1
1 34 . 19 1 1 A 9 9 LYS N N 9 125.248 128.850 -3.602 1
1 35 . 19 1 1 A 10 10 PRO HA H 10 4.290 4.369 -0.079 1
1 42 . 19 1 1 A 10 10 PRO C C 10 176.364 175.802 0.562 1
1 43 . 19 1 1 A 10 10 PRO CA C 10 63.426 64.727 -1.301 1
1 44 . 19 1 1 A 10 10 PRO CB C 10 32.209 31.583 0.626 1
1 47 . 19 1 1 A 11 11 TYR H H 11 7.981 7.712 0.269 1
1 48 . 19 1 1 A 11 11 TYR HA H 11 4.659 4.856 -0.197 1
1 55 . 19 1 1 A 11 11 TYR C C 11 175.225 175.163 0.062 1
1 56 . 19 1 1 A 11 11 TYR CA C 11 57.195 56.500 0.695 1
1 57 . 19 1 1 A 11 11 TYR CB C 11 38.185 38.166 0.019 1
1 62 . 19 1 1 A 11 11 TYR N N 11 117.941 117.711 0.230 1
1 63 . 19 1 1 A 12 12 GLY H H 12 8.475 8.913 -0.438 1
1 64 . 19 1 1 A 12 12 GLY HA2 H 12 3.630 4.296 -0.666 1
1 65 . 19 1 1 A 12 12 GLY HA3 H 12 4.709 4.373 0.336 1
1 66 . 19 1 1 A 12 12 GLY C C 12 172.847 173.531 -0.684 1
1 67 . 19 1 1 A 12 12 GLY CA C 12 44.512 44.953 -0.441 1
1 68 . 19 1 1 A 12 12 GLY N N 12 111.547 111.338 0.209 1
1 69 . 19 1 1 A 13 13 CYS H H 13 9.098 8.879 0.219 1
1 70 . 19 1 1 A 13 13 CYS HA H 13 4.701 4.492 0.209 1
1 73 . 19 1 1 A 13 13 CYS C C 13 177.769 175.198 2.571 1
1 74 . 19 1 1 A 13 13 CYS CA C 13 59.277 59.817 -0.540 1
1 75 . 19 1 1 A 13 13 CYS CB C 13 30.109 28.951 1.158 1
1 76 . 19 1 1 A 13 13 CYS N N 13 124.934 124.915 0.019 1
1 77 . 19 1 1 A 14 14 SER H H 14 9.169 8.980 0.189 1
1 78 . 19 1 1 A 14 14 SER HA H 14 4.273 4.565 -0.292 1
1 81 . 19 1 1 A 14 14 SER C C 14 174.567 176.207 -1.640 1
1 82 . 19 1 1 A 14 14 SER CA C 14 60.801 60.987 -0.186 1
1 83 . 19 1 1 A 14 14 SER CB C 14 63.065 63.766 -0.701 1
1 84 . 19 1 1 A 14 14 SER N N 14 127.617 121.960 5.657 1
1 85 . 19 1 1 A 15 15 GLU H H 15 9.031 8.245 0.786 1
1 86 . 19 1 1 A 15 15 GLU HA H 15 4.274 3.969 0.305 1
1 91 . 19 1 1 A 15 15 GLU C C 15 177.149 178.239 -1.090 1
1 92 . 19 1 1 A 15 15 GLU CA C 15 57.715 59.454 -1.739 1
1 93 . 19 1 1 A 15 15 GLU CB C 15 29.512 29.187 0.325 1
1 95 . 19 1 1 A 15 15 GLU N N 15 123.683 121.835 1.848 1
1 96 . 19 1 1 A 16 16 CYS H H 16 8.253 7.897 0.356 1
1 97 . 19 1 1 A 16 16 CYS HA H 16 5.178 4.598 0.580 1
1 100 . 19 1 1 A 16 16 CYS C C 16 176.203 175.377 0.826 1
1 101 . 19 1 1 A 16 16 CYS CA C 16 58.466 59.622 -1.156 1
1 102 . 19 1 1 A 16 16 CYS CB C 16 32.439 29.600 2.839 1
1 103 . 19 1 1 A 16 16 CYS N N 16 116.046 115.010 1.036 1
1 104 . 19 1 1 A 17 17 GLY H H 17 8.087 8.282 -0.195 1
1 105 . 19 1 1 A 17 17 GLY HA2 H 17 3.882 4.040 -0.158 1
1 106 . 19 1 1 A 17 17 GLY HA3 H 17 4.225 4.055 0.170 1
1 107 . 19 1 1 A 17 17 GLY C C 17 174.332 174.050 0.282 1
1 108 . 19 1 1 A 17 17 GLY CA C 17 46.224 45.888 0.336 1
1 109 . 19 1 1 A 17 17 GLY N N 17 112.453 110.209 2.244 1
1 110 . 19 1 1 A 18 18 LYS H H 18 7.998 7.840 0.158 1
1 111 . 19 1 1 A 18 18 LYS HA H 18 4.011 4.664 -0.653 1
1 120 . 19 1 1 A 18 18 LYS C C 18 173.574 174.908 -1.334 1
1 121 . 19 1 1 A 18 18 LYS CA C 18 58.142 54.199 3.943 1
1 122 . 19 1 1 A 18 18 LYS CB C 18 33.979 35.098 -1.119 1
1 126 . 19 1 1 A 18 18 LYS N N 18 123.407 118.451 4.956 1
1 127 . 19 1 1 A 19 19 ALA H H 19 7.768 8.131 -0.363 1
1 128 . 19 1 1 A 19 19 ALA HA H 19 5.057 5.432 -0.375 1
1 132 . 19 1 1 A 19 19 ALA C C 19 176.149 175.132 1.017 1
1 133 . 19 1 1 A 19 19 ALA CA C 19 50.649 50.117 0.532 1
1 134 . 19 1 1 A 19 19 ALA CB C 19 22.135 23.936 -1.801 1
1 135 . 19 1 1 A 19 19 ALA N N 19 122.869 120.469 2.400 1
1 136 . 19 1 1 A 20 20 PHE H H 20 8.400 8.590 -0.190 1
1 137 . 19 1 1 A 20 20 PHE HA H 20 4.787 4.920 -0.133 1
1 145 . 19 1 1 A 20 20 PHE C C 20 175.996 175.789 0.207 1
1 146 . 19 1 1 A 20 20 PHE CA C 20 57.402 56.321 1.081 1
1 147 . 19 1 1 A 20 20 PHE CB C 20 44.177 40.978 3.199 1
1 153 . 19 1 1 A 20 20 PHE N N 20 116.260 115.309 0.951 1
1 154 . 19 1 1 A 21 21 ARG H H 21 9.316 8.619 0.697 1
1 155 . 19 1 1 A 21 21 ARG HA H 21 4.478 4.200 0.278 1
1 162 . 19 1 1 A 21 21 ARG C C 21 175.389 176.569 -1.180 1
1 163 . 19 1 1 A 21 21 ARG CA C 21 57.837 58.818 -0.981 1
1 164 . 19 1 1 A 21 21 ARG CB C 21 31.184 29.958 1.226 1
1 167 . 19 1 1 A 21 21 ARG N N 21 119.000 124.201 -5.201 1
1 168 . 19 1 1 A 22 22 SER H H 22 7.474 8.079 -0.605 1
1 169 . 19 1 1 A 22 22 SER HA H 22 4.696 4.776 -0.080 1
1 172 . 19 1 1 A 22 22 SER C C 22 173.464 174.748 -1.284 1
1 173 . 19 1 1 A 22 22 SER CA C 22 55.901 55.699 0.202 1
1 174 . 19 1 1 A 22 22 SER CB C 22 66.117 66.323 -0.206 1
1 175 . 19 1 1 A 22 22 SER N N 22 109.845 111.953 -2.108 1
1 176 . 19 1 1 A 23 23 LYS H H 23 8.388 8.286 0.102 1
1 177 . 19 1 1 A 23 23 LYS HA H 23 3.324 3.184 0.140 1
1 186 . 19 1 1 A 23 23 LYS C C 23 178.109 178.132 -0.023 1
1 187 . 19 1 1 A 23 23 LYS CA C 23 58.994 59.707 -0.713 1
1 188 . 19 1 1 A 23 23 LYS CB C 23 31.895 31.743 0.152 1
1 192 . 19 1 1 A 23 23 LYS N N 23 125.361 122.264 3.097 1
1 193 . 19 1 1 A 24 24 SER H H 24 8.217 7.958 0.259 1
1 194 . 19 1 1 A 24 24 SER HA H 24 3.980 4.017 -0.037 1
1 197 . 19 1 1 A 24 24 SER C C 24 176.910 176.350 0.560 1
1 198 . 19 1 1 A 24 24 SER CA C 24 61.457 61.967 -0.510 1
1 199 . 19 1 1 A 24 24 SER CB C 24 61.986 62.387 -0.401 1
1 200 . 19 1 1 A 24 24 SER N N 24 113.056 115.193 -2.137 1
1 201 . 19 1 1 A 25 25 TYR H H 25 7.270 7.771 -0.501 1
1 202 . 19 1 1 A 25 25 TYR HA H 25 4.258 4.369 -0.111 1
1 209 . 19 1 1 A 25 25 TYR C C 25 178.363 177.945 0.418 1
1 210 . 19 1 1 A 25 25 TYR CA C 25 59.989 60.429 -0.440 1
1 211 . 19 1 1 A 25 25 TYR CB C 25 37.656 38.002 -0.346 1
1 216 . 19 1 1 A 25 25 TYR N N 25 119.562 119.953 -0.391 1
1 217 . 19 1 1 A 26 26 LEU H H 26 7.354 8.186 -0.832 1
1 218 . 19 1 1 A 26 26 LEU HA H 26 3.466 2.595 0.871 1
1 228 . 19 1 1 A 26 26 LEU C C 26 177.513 178.287 -0.774 1
1 229 . 19 1 1 A 26 26 LEU CA C 26 58.142 57.795 0.347 1
1 230 . 19 1 1 A 26 26 LEU CB C 26 40.723 41.332 -0.609 1
1 234 . 19 1 1 A 26 26 LEU N N 26 122.537 120.443 2.094 1
1 235 . 19 1 1 A 27 27 ILE H H 27 8.244 7.751 0.493 1
1 236 . 19 1 1 A 27 27 ILE HA H 27 3.594 3.501 0.093 1
1 246 . 19 1 1 A 27 27 ILE C C 27 179.045 177.894 1.151 1
1 247 . 19 1 1 A 27 27 ILE CA C 27 65.264 65.234 0.030 1
1 248 . 19 1 1 A 27 27 ILE CB C 27 37.650 37.816 -0.166 1
1 252 . 19 1 1 A 27 27 ILE N N 27 120.012 119.596 0.416 1
1 253 . 19 1 1 A 28 28 ILE H H 28 7.350 7.776 -0.426 1
1 254 . 19 1 1 A 28 28 ILE HA H 28 3.541 3.809 -0.268 1
1 264 . 19 1 1 A 28 28 ILE C C 28 179.008 176.864 2.144 1
1 265 . 19 1 1 A 28 28 ILE CA C 28 65.093 63.988 1.105 1
1 266 . 19 1 1 A 28 28 ILE CB C 28 38.473 37.572 0.901 1
1 270 . 19 1 1 A 28 28 ILE N N 28 119.450 119.111 0.339 1
1 271 . 19 1 1 A 29 29 HIS H H 29 7.774 7.889 -0.115 1
1 272 . 19 1 1 A 29 29 HIS HA H 29 4.210 4.381 -0.171 1
1 277 . 19 1 1 A 29 29 HIS C C 29 178.135 176.898 1.237 1
1 278 . 19 1 1 A 29 29 HIS CA C 29 59.320 58.169 1.151 1
1 279 . 19 1 1 A 29 29 HIS CB C 29 28.240 30.393 -2.153 1
1 282 . 19 1 1 A 29 29 HIS N N 29 119.901 122.149 -2.248 1
1 283 . 19 1 1 A 30 30 MET H H 30 8.859 8.357 0.502 1
1 284 . 19 1 1 A 30 30 MET HA H 30 4.061 4.313 -0.252 1
1 292 . 19 1 1 A 30 30 MET C C 30 178.435 178.010 0.425 1
1 293 . 19 1 1 A 30 30 MET CA C 30 58.334 57.454 0.880 1
1 294 . 19 1 1 A 30 30 MET CB C 30 30.760 32.898 -2.138 1
1 297 . 19 1 1 A 30 30 MET N N 30 119.643 118.063 1.580 1
1 298 . 19 1 1 A 31 31 ARG H H 31 7.334 8.599 -1.265 1
1 299 . 19 1 1 A 31 31 ARG HA H 31 4.214 4.144 0.070 1
1 306 . 19 1 1 A 31 31 ARG C C 31 178.442 178.212 0.230 1
1 307 . 19 1 1 A 31 31 ARG CA C 31 58.742 58.556 0.186 1
1 308 . 19 1 1 A 31 31 ARG CB C 31 29.921 29.630 0.291 1
1 311 . 19 1 1 A 31 31 ARG N N 31 117.860 119.418 -1.558 1
1 312 . 19 1 1 A 32 32 THR H H 32 7.892 7.824 0.068 1
1 313 . 19 1 1 A 32 32 THR HA H 32 4.129 4.057 0.072 1
1 318 . 19 1 1 A 32 32 THR C C 32 175.441 176.631 -1.190 1
1 319 . 19 1 1 A 32 32 THR CA C 32 63.963 65.333 -1.370 1
1 320 . 19 1 1 A 32 32 THR CB C 32 69.388 68.606 0.782 1
1 322 . 19 1 1 A 32 32 THR N N 32 109.787 114.628 -4.841 1
1 323 . 19 1 1 A 33 33 HIS H H 33 7.270 7.818 -0.548 1
1 324 . 19 1 1 A 33 33 HIS HA H 33 4.921 4.135 0.786 1
1 329 . 19 1 1 A 33 33 HIS C C 33 175.596 177.929 -2.333 1
1 330 . 19 1 1 A 33 33 HIS CA C 33 55.469 59.379 -3.910 1
1 331 . 19 1 1 A 33 33 HIS CB C 33 28.877 29.966 -1.089 1
1 334 . 19 1 1 A 33 33 HIS N N 33 118.636 120.575 -1.939 1
1 335 . 19 1 1 A 34 34 THR H H 34 7.842 7.628 0.214 1
1 336 . 19 1 1 A 34 34 THR HA H 34 4.377 4.102 0.275 1
1 341 . 19 1 1 A 34 34 THR C C 34 175.388 174.590 0.798 1
1 342 . 19 1 1 A 34 34 THR CA C 34 62.369 63.688 -1.319 1
1 343 . 19 1 1 A 34 34 THR CB C 34 69.883 69.993 -0.110 1
1 345 . 19 1 1 A 34 34 THR N N 34 112.003 109.486 2.517 1
1 346 . 19 1 1 A 35 35 GLY H H 35 8.325 7.800 0.525 1
1 347 . 19 1 1 A 35 35 GLY HA2 H 35 4.037 4.042 -0.005 1
1 348 . 19 1 1 A 35 35 GLY HA3 H 35 3.961 4.048 -0.087 1
1 349 . 19 1 1 A 35 35 GLY C C 35 174.027 172.984 1.043 1
1 350 . 19 1 1 A 35 35 GLY CA C 35 45.420 44.435 0.985 1
1 351 . 19 1 1 A 35 35 GLY N N 35 110.924 109.642 1.282 1
1 352 . 19 1 1 A 36 36 GLU H H 36 8.134 8.422 -0.288 1
1 353 . 19 1 1 A 36 36 GLU HA H 36 4.252 4.958 -0.706 1
1 358 . 19 1 1 A 36 36 GLU C C 36 176.217 175.484 0.733 1
1 359 . 19 1 1 A 36 36 GLU CA C 36 56.529 55.159 1.370 1
1 360 . 19 1 1 A 36 36 GLU CB C 36 30.526 30.383 0.143 1
1 362 . 19 1 1 A 36 36 GLU N N 36 120.646 118.949 1.697 1
1 363 . 19 1 1 A 37 37 LYS H H 37 8.442 8.257 0.185 1
1 364 . 19 1 1 A 37 37 LYS HA H 37 4.624 4.284 0.340 1
1 373 . 19 1 1 A 37 37 LYS C C 37 174.470 176.590 -2.120 1
1 374 . 19 1 1 A 37 37 LYS CA C 37 54.105 55.037 -0.932 1
1 375 . 19 1 1 A 37 37 LYS CB C 37 32.513 31.769 0.744 1
1 379 . 19 1 1 A 37 37 LYS N N 37 123.934 124.214 -0.280 1
1 380 . 19 1 1 A 38 38 PRO HA H 38 4.472 4.475 -0.003 1
1 387 . 19 1 1 A 38 38 PRO C C 38 176.963 176.331 0.632 1
1 388 . 19 1 1 A 38 38 PRO CA C 38 63.242 64.284 -1.042 1
1 389 . 19 1 1 A 38 38 PRO CB C 38 32.184 31.717 0.467 1
1 392 . 19 1 1 A 39 39 SER H H 39 8.479 7.931 0.548 1
1 393 . 19 1 1 A 39 39 SER HA H 39 4.478 4.274 0.204 1
1 396 . 19 1 1 A 39 39 SER C C 39 174.643 175.285 -0.642 1
1 397 . 19 1 1 A 39 39 SER CA C 39 58.498 60.486 -1.988 1
1 398 . 19 1 1 A 39 39 SER CB C 39 63.958 62.511 1.447 1
1 399 . 19 1 1 A 39 39 SER N N 39 116.485 114.551 1.934 1
1 400 . 19 1 1 A 40 40 GLY H H 40 8.234 8.366 -0.132 1
1 401 . 19 1 1 A 40 40 GLY HA2 H 40 4.173 4.091 0.082 1
1 402 . 19 1 1 A 40 40 GLY HA3 H 40 4.122 4.091 0.031 1
1 403 . 19 1 1 A 40 40 GLY C C 40 171.735 173.372 -1.637 1
1 404 . 19 1 1 A 40 40 GLY CA C 40 44.655 44.776 -0.121 1
1 405 . 19 1 1 A 40 40 GLY N N 40 110.650 115.065 -4.415 1
1 406 . 19 1 1 A 41 41 PRO HA H 41 4.474 4.517 -0.043 1
1 413 . 19 1 1 A 41 41 PRO CA C 41 63.258 62.487 0.771 1
1 414 . 19 1 1 A 41 41 PRO CB C 41 32.111 32.883 -0.772 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.954 4.068 -0.114 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.954 4.072 -0.118 1
1 3 . 20 1 1 A 7 7 GLY C C 7 173.934 175.024 -1.090 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.271 45.976 -0.705 1
1 5 . 20 1 1 A 8 8 VAL H H 8 7.897 7.977 -0.080 1
1 6 . 20 1 1 A 8 8 VAL HA H 8 4.047 4.352 -0.305 1
1 14 . 20 1 1 A 8 8 VAL C C 8 175.891 174.890 1.001 1
1 15 . 20 1 1 A 8 8 VAL CA C 8 62.520 61.488 1.032 1
1 16 . 20 1 1 A 8 8 VAL CB C 8 32.445 33.437 -0.992 1
1 19 . 20 1 1 A 8 8 VAL N N 8 119.114 117.194 1.920 1
1 20 . 20 1 1 A 9 9 LYS H H 9 8.299 7.402 0.897 1
1 21 . 20 1 1 A 9 9 LYS HA H 9 4.522 4.882 -0.360 1
1 28 . 20 1 1 A 9 9 LYS C C 9 173.981 175.868 -1.887 1
1 29 . 20 1 1 A 9 9 LYS CA C 9 53.793 53.259 0.534 1
1 30 . 20 1 1 A 9 9 LYS CB C 9 33.011 34.582 -1.571 1
1 34 . 20 1 1 A 9 9 LYS N N 9 125.248 118.863 6.385 1
1 35 . 20 1 1 A 10 10 PRO HA H 10 4.290 4.239 0.051 1
1 42 . 20 1 1 A 10 10 PRO C C 10 176.364 175.854 0.510 1
1 43 . 20 1 1 A 10 10 PRO CA C 10 63.426 64.576 -1.150 1
1 44 . 20 1 1 A 10 10 PRO CB C 10 32.209 31.761 0.448 1
1 47 . 20 1 1 A 11 11 TYR H H 11 7.981 7.611 0.370 1
1 48 . 20 1 1 A 11 11 TYR HA H 11 4.659 5.350 -0.691 1
1 55 . 20 1 1 A 11 11 TYR C C 11 175.225 175.528 -0.303 1
1 56 . 20 1 1 A 11 11 TYR CA C 11 57.195 56.299 0.896 1
1 57 . 20 1 1 A 11 11 TYR CB C 11 38.185 41.614 -3.429 1
1 62 . 20 1 1 A 11 11 TYR N N 11 117.941 117.896 0.045 1
1 63 . 20 1 1 A 12 12 GLY H H 12 8.475 8.917 -0.442 1
1 64 . 20 1 1 A 12 12 GLY HA2 H 12 3.630 4.344 -0.714 1
1 65 . 20 1 1 A 12 12 GLY HA3 H 12 4.709 4.382 0.327 1
1 66 . 20 1 1 A 12 12 GLY C C 12 172.847 172.693 0.154 1
1 67 . 20 1 1 A 12 12 GLY CA C 12 44.512 45.068 -0.556 1
1 68 . 20 1 1 A 12 12 GLY N N 12 111.547 110.169 1.378 1
1 69 . 20 1 1 A 13 13 CYS H H 13 9.098 8.642 0.456 1
1 70 . 20 1 1 A 13 13 CYS HA H 13 4.701 4.673 0.028 1
1 73 . 20 1 1 A 13 13 CYS C C 13 177.769 175.984 1.785 1
1 74 . 20 1 1 A 13 13 CYS CA C 13 59.277 59.897 -0.620 1
1 75 . 20 1 1 A 13 13 CYS CB C 13 30.109 28.653 1.456 1
1 76 . 20 1 1 A 13 13 CYS N N 13 124.934 123.948 0.986 1
1 77 . 20 1 1 A 14 14 SER H H 14 9.169 9.129 0.040 1
1 78 . 20 1 1 A 14 14 SER HA H 14 4.273 4.260 0.013 1
1 81 . 20 1 1 A 14 14 SER C C 14 174.567 176.868 -2.301 1
1 82 . 20 1 1 A 14 14 SER CA C 14 60.801 61.381 -0.580 1
1 83 . 20 1 1 A 14 14 SER CB C 14 63.065 63.257 -0.192 1
1 84 . 20 1 1 A 14 14 SER N N 14 127.617 123.181 4.436 1
1 85 . 20 1 1 A 15 15 GLU H H 15 9.031 8.242 0.789 1
1 86 . 20 1 1 A 15 15 GLU HA H 15 4.274 3.909 0.365 1
1 91 . 20 1 1 A 15 15 GLU C C 15 177.149 178.273 -1.124 1
1 92 . 20 1 1 A 15 15 GLU CA C 15 57.715 59.357 -1.642 1
1 93 . 20 1 1 A 15 15 GLU CB C 15 29.512 28.810 0.702 1
1 95 . 20 1 1 A 15 15 GLU N N 15 123.683 121.038 2.645 1
1 96 . 20 1 1 A 16 16 CYS H H 16 8.253 7.902 0.351 1
1 97 . 20 1 1 A 16 16 CYS HA H 16 5.178 4.651 0.527 1
1 100 . 20 1 1 A 16 16 CYS C C 16 176.203 175.360 0.843 1
1 101 . 20 1 1 A 16 16 CYS CA C 16 58.466 59.692 -1.226 1
1 102 . 20 1 1 A 16 16 CYS CB C 16 32.439 29.663 2.776 1
1 103 . 20 1 1 A 16 16 CYS N N 16 116.046 115.149 0.897 1
1 104 . 20 1 1 A 17 17 GLY H H 17 8.087 8.174 -0.087 1
1 105 . 20 1 1 A 17 17 GLY HA2 H 17 3.882 4.051 -0.169 1
1 106 . 20 1 1 A 17 17 GLY HA3 H 17 4.225 4.052 0.173 1
1 107 . 20 1 1 A 17 17 GLY C C 17 174.332 173.922 0.410 1
1 108 . 20 1 1 A 17 17 GLY CA C 17 46.224 45.853 0.371 1
1 109 . 20 1 1 A 17 17 GLY N N 17 112.453 110.156 2.297 1
1 110 . 20 1 1 A 18 18 LYS H H 18 7.998 7.565 0.433 1
1 111 . 20 1 1 A 18 18 LYS HA H 18 4.011 4.733 -0.722 1
1 120 . 20 1 1 A 18 18 LYS C C 18 173.574 174.837 -1.263 1
1 121 . 20 1 1 A 18 18 LYS CA C 18 58.142 53.981 4.161 1
1 122 . 20 1 1 A 18 18 LYS CB C 18 33.979 35.479 -1.500 1
1 126 . 20 1 1 A 18 18 LYS N N 18 123.407 118.561 4.846 1
1 127 . 20 1 1 A 19 19 ALA H H 19 7.768 8.248 -0.480 1
1 128 . 20 1 1 A 19 19 ALA HA H 19 5.057 5.018 0.039 1
1 132 . 20 1 1 A 19 19 ALA C C 19 176.149 174.913 1.236 1
1 133 . 20 1 1 A 19 19 ALA CA C 19 50.649 50.219 0.430 1
1 134 . 20 1 1 A 19 19 ALA CB C 19 22.135 22.994 -0.859 1
1 135 . 20 1 1 A 19 19 ALA N N 19 122.869 120.771 2.098 1
1 136 . 20 1 1 A 20 20 PHE H H 20 8.400 8.639 -0.239 1
1 137 . 20 1 1 A 20 20 PHE HA H 20 4.787 4.992 -0.205 1
1 145 . 20 1 1 A 20 20 PHE C C 20 175.996 175.891 0.105 1
1 146 . 20 1 1 A 20 20 PHE CA C 20 57.402 56.382 1.020 1
1 147 . 20 1 1 A 20 20 PHE CB C 20 44.177 41.220 2.957 1
1 153 . 20 1 1 A 20 20 PHE N N 20 116.260 117.602 -1.342 1
1 154 . 20 1 1 A 21 21 ARG H H 21 9.316 8.865 0.451 1
1 155 . 20 1 1 A 21 21 ARG HA H 21 4.478 4.115 0.363 1
1 162 . 20 1 1 A 21 21 ARG C C 21 175.389 175.571 -0.182 1
1 163 . 20 1 1 A 21 21 ARG CA C 21 57.837 59.638 -1.801 1
1 164 . 20 1 1 A 21 21 ARG CB C 21 31.184 30.267 0.917 1
1 167 . 20 1 1 A 21 21 ARG N N 21 119.000 126.894 -7.894 1
1 168 . 20 1 1 A 22 22 SER H H 22 7.474 7.904 -0.430 1
1 169 . 20 1 1 A 22 22 SER HA H 22 4.696 5.031 -0.335 1
1 172 . 20 1 1 A 22 22 SER C C 22 173.464 173.914 -0.450 1
1 173 . 20 1 1 A 22 22 SER CA C 22 55.901 56.102 -0.201 1
1 174 . 20 1 1 A 22 22 SER CB C 22 66.117 65.761 0.356 1
1 175 . 20 1 1 A 22 22 SER N N 22 109.845 114.130 -4.285 1
1 176 . 20 1 1 A 23 23 LYS H H 23 8.388 8.671 -0.283 1
1 177 . 20 1 1 A 23 23 LYS HA H 23 3.324 3.178 0.146 1
1 186 . 20 1 1 A 23 23 LYS C C 23 178.109 177.966 0.143 1
1 187 . 20 1 1 A 23 23 LYS CA C 23 58.994 58.356 0.638 1
1 188 . 20 1 1 A 23 23 LYS CB C 23 31.895 32.101 -0.206 1
1 192 . 20 1 1 A 23 23 LYS N N 23 125.361 126.006 -0.645 1
1 193 . 20 1 1 A 24 24 SER H H 24 8.217 8.200 0.017 1
1 194 . 20 1 1 A 24 24 SER HA H 24 3.980 4.247 -0.267 1
1 197 . 20 1 1 A 24 24 SER C C 24 176.910 176.146 0.764 1
1 198 . 20 1 1 A 24 24 SER CA C 24 61.457 61.417 0.040 1
1 199 . 20 1 1 A 24 24 SER CB C 24 61.986 62.583 -0.597 1
1 200 . 20 1 1 A 24 24 SER N N 24 113.056 115.407 -2.351 1
1 201 . 20 1 1 A 25 25 TYR H H 25 7.270 7.765 -0.495 1
1 202 . 20 1 1 A 25 25 TYR HA H 25 4.258 4.290 -0.032 1
1 209 . 20 1 1 A 25 25 TYR C C 25 178.363 177.879 0.484 1
1 210 . 20 1 1 A 25 25 TYR CA C 25 59.989 61.413 -1.424 1
1 211 . 20 1 1 A 25 25 TYR CB C 25 37.656 38.231 -0.575 1
1 216 . 20 1 1 A 25 25 TYR N N 25 119.562 119.243 0.319 1
1 217 . 20 1 1 A 26 26 LEU H H 26 7.354 7.682 -0.328 1
1 218 . 20 1 1 A 26 26 LEU HA H 26 3.466 2.353 1.113 1
1 228 . 20 1 1 A 26 26 LEU C C 26 177.513 178.233 -0.720 1
1 229 . 20 1 1 A 26 26 LEU CA C 26 58.142 57.758 0.384 1
1 230 . 20 1 1 A 26 26 LEU CB C 26 40.723 41.273 -0.550 1
1 234 . 20 1 1 A 26 26 LEU N N 26 122.537 120.862 1.675 1
1 235 . 20 1 1 A 27 27 ILE H H 27 8.244 7.656 0.588 1
1 236 . 20 1 1 A 27 27 ILE HA H 27 3.594 3.527 0.067 1
1 246 . 20 1 1 A 27 27 ILE C C 27 179.045 177.854 1.191 1
1 247 . 20 1 1 A 27 27 ILE CA C 27 65.264 65.093 0.171 1
1 248 . 20 1 1 A 27 27 ILE CB C 27 37.650 37.682 -0.032 1
1 252 . 20 1 1 A 27 27 ILE N N 27 120.012 119.304 0.708 1
1 253 . 20 1 1 A 28 28 ILE H H 28 7.350 7.498 -0.148 1
1 254 . 20 1 1 A 28 28 ILE HA H 28 3.541 3.750 -0.209 1
1 264 . 20 1 1 A 28 28 ILE C C 28 179.008 178.407 0.601 1
1 265 . 20 1 1 A 28 28 ILE CA C 28 65.093 64.885 0.208 1
1 266 . 20 1 1 A 28 28 ILE CB C 28 38.473 37.886 0.587 1
1 270 . 20 1 1 A 28 28 ILE N N 28 119.450 119.959 -0.509 1
1 271 . 20 1 1 A 29 29 HIS H H 29 7.774 8.210 -0.436 1
1 272 . 20 1 1 A 29 29 HIS HA H 29 4.210 4.335 -0.125 1
1 277 . 20 1 1 A 29 29 HIS C C 29 178.135 176.914 1.221 1
1 278 . 20 1 1 A 29 29 HIS CA C 29 59.320 59.060 0.260 1
1 279 . 20 1 1 A 29 29 HIS CB C 29 28.240 30.278 -2.038 1
1 282 . 20 1 1 A 29 29 HIS N N 29 119.901 121.998 -2.097 1
1 283 . 20 1 1 A 30 30 MET H H 30 8.859 8.552 0.307 1
1 284 . 20 1 1 A 30 30 MET HA H 30 4.061 3.945 0.116 1
1 292 . 20 1 1 A 30 30 MET C C 30 178.435 178.196 0.239 1
1 293 . 20 1 1 A 30 30 MET CA C 30 58.334 59.023 -0.689 1
1 294 . 20 1 1 A 30 30 MET CB C 30 30.760 32.168 -1.408 1
1 297 . 20 1 1 A 30 30 MET N N 30 119.643 117.140 2.503 1
1 298 . 20 1 1 A 31 31 ARG H H 31 7.334 8.076 -0.742 1
1 299 . 20 1 1 A 31 31 ARG HA H 31 4.214 4.050 0.164 1
1 306 . 20 1 1 A 31 31 ARG C C 31 178.442 178.220 0.222 1
1 307 . 20 1 1 A 31 31 ARG CA C 31 58.742 58.508 0.234 1
1 308 . 20 1 1 A 31 31 ARG CB C 31 29.921 30.096 -0.175 1
1 311 . 20 1 1 A 31 31 ARG N N 31 117.860 117.787 0.073 1
1 312 . 20 1 1 A 32 32 THR H H 32 7.892 8.402 -0.510 1
1 313 . 20 1 1 A 32 32 THR HA H 32 4.129 3.838 0.291 1
1 318 . 20 1 1 A 32 32 THR C C 32 175.441 174.995 0.446 1
1 319 . 20 1 1 A 32 32 THR CA C 32 63.963 64.636 -0.673 1
1 320 . 20 1 1 A 32 32 THR CB C 32 69.388 68.554 0.834 1
1 322 . 20 1 1 A 32 32 THR N N 32 109.787 114.157 -4.370 1
1 323 . 20 1 1 A 33 33 HIS H H 33 7.270 7.366 -0.096 1
1 324 . 20 1 1 A 33 33 HIS HA H 33 4.921 4.670 0.251 1
1 329 . 20 1 1 A 33 33 HIS C C 33 175.596 174.888 0.708 1
1 330 . 20 1 1 A 33 33 HIS CA C 33 55.469 54.416 1.053 1
1 331 . 20 1 1 A 33 33 HIS CB C 33 28.877 27.755 1.122 1
1 334 . 20 1 1 A 33 33 HIS N N 33 118.636 118.227 0.409 1
1 335 . 20 1 1 A 34 34 THR H H 34 7.842 7.730 0.112 1
1 336 . 20 1 1 A 34 34 THR HA H 34 4.377 3.948 0.429 1
1 341 . 20 1 1 A 34 34 THR C C 34 175.388 174.451 0.937 1
1 342 . 20 1 1 A 34 34 THR CA C 34 62.369 62.955 -0.586 1
1 343 . 20 1 1 A 34 34 THR CB C 34 69.883 66.733 3.150 1
1 345 . 20 1 1 A 34 34 THR N N 34 112.003 112.807 -0.804 1
1 346 . 20 1 1 A 35 35 GLY H H 35 8.325 8.073 0.252 1
1 347 . 20 1 1 A 35 35 GLY HA2 H 35 4.037 3.899 0.138 1
1 348 . 20 1 1 A 35 35 GLY HA3 H 35 3.961 3.913 0.048 1
1 349 . 20 1 1 A 35 35 GLY C C 35 174.027 175.150 -1.123 1
1 350 . 20 1 1 A 35 35 GLY CA C 35 45.420 46.180 -0.760 1
1 351 . 20 1 1 A 35 35 GLY N N 35 110.924 109.973 0.951 1
1 352 . 20 1 1 A 36 36 GLU H H 36 8.134 8.086 0.048 1
1 353 . 20 1 1 A 36 36 GLU HA H 36 4.252 4.396 -0.144 1
1 358 . 20 1 1 A 36 36 GLU C C 36 176.217 174.829 1.388 1
1 359 . 20 1 1 A 36 36 GLU CA C 36 56.529 55.667 0.862 1
1 360 . 20 1 1 A 36 36 GLU CB C 36 30.526 30.299 0.227 1
1 362 . 20 1 1 A 36 36 GLU N N 36 120.646 117.507 3.139 1
1 363 . 20 1 1 A 37 37 LYS H H 37 8.442 7.393 1.049 1
1 364 . 20 1 1 A 37 37 LYS HA H 37 4.624 4.659 -0.035 1
1 373 . 20 1 1 A 37 37 LYS C C 37 174.470 173.585 0.885 1
1 374 . 20 1 1 A 37 37 LYS CA C 37 54.105 53.842 0.263 1
1 375 . 20 1 1 A 37 37 LYS CB C 37 32.513 35.854 -3.341 1
1 379 . 20 1 1 A 37 37 LYS N N 37 123.934 120.059 3.875 1
1 380 . 20 1 1 A 38 38 PRO HA H 38 4.472 4.449 0.023 1
1 387 . 20 1 1 A 38 38 PRO C C 38 176.963 177.247 -0.284 1
1 388 . 20 1 1 A 38 38 PRO CA C 38 63.242 62.810 0.432 1
1 389 . 20 1 1 A 38 38 PRO CB C 38 32.184 32.080 0.104 1
1 392 . 20 1 1 A 39 39 SER H H 39 8.479 8.370 0.109 1
1 393 . 20 1 1 A 39 39 SER HA H 39 4.478 4.336 0.142 1
1 396 . 20 1 1 A 39 39 SER C C 39 174.643 174.310 0.333 1
1 397 . 20 1 1 A 39 39 SER CA C 39 58.498 59.590 -1.092 1
1 398 . 20 1 1 A 39 39 SER CB C 39 63.958 64.236 -0.278 1
1 399 . 20 1 1 A 39 39 SER N N 39 116.485 119.070 -2.585 1
1 400 . 20 1 1 A 40 40 GLY H H 40 8.234 8.309 -0.075 1
1 401 . 20 1 1 A 40 40 GLY HA2 H 40 4.173 4.161 0.012 1
1 402 . 20 1 1 A 40 40 GLY HA3 H 40 4.122 4.163 -0.041 1
1 403 . 20 1 1 A 40 40 GLY C C 40 171.735 172.621 -0.886 1
1 404 . 20 1 1 A 40 40 GLY CA C 40 44.655 45.646 -0.991 1
1 405 . 20 1 1 A 40 40 GLY N N 40 110.650 109.349 1.301 1
1 406 . 20 1 1 A 41 41 PRO HA H 41 4.474 4.575 -0.101 1
1 413 . 20 1 1 A 41 41 PRO CA C 41 63.258 62.492 0.766 1
1 414 . 20 1 1 A 41 41 PRO CB C 41 32.111 32.901 -0.790 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 34 1.236 1
2 1 1 1 "RMS(OBS, PRED)" CA 35 1.576 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.689 1
4 1 1 1 "RMS(OBS, PRED)" H 31 0.464 1
5 1 1 1 "RMS(OBS, PRED)" HA 40 0.409 1
6 1 1 1 "RMS(OBS, PRED)" N 31 3.142 1
7 1 2 1 "RMS(OBS, PRED)" C 34 1.158 1
8 1 2 1 "RMS(OBS, PRED)" CA 35 1.550 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.621 1
10 1 2 1 "RMS(OBS, PRED)" H 31 0.596 1
11 1 2 1 "RMS(OBS, PRED)" HA 40 0.419 1
12 1 2 1 "RMS(OBS, PRED)" N 31 2.903 1
13 1 3 1 "RMS(OBS, PRED)" C 34 1.202 1
14 1 3 1 "RMS(OBS, PRED)" CA 35 1.466 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.244 1
16 1 3 1 "RMS(OBS, PRED)" H 31 0.537 1
17 1 3 1 "RMS(OBS, PRED)" HA 40 0.358 1
18 1 3 1 "RMS(OBS, PRED)" N 31 2.768 1
19 1 4 1 "RMS(OBS, PRED)" C 34 1.065 1
20 1 4 1 "RMS(OBS, PRED)" CA 35 1.437 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.308 1
22 1 4 1 "RMS(OBS, PRED)" H 31 0.589 1
23 1 4 1 "RMS(OBS, PRED)" HA 40 0.347 1
24 1 4 1 "RMS(OBS, PRED)" N 31 2.946 1
25 1 5 1 "RMS(OBS, PRED)" C 34 1.109 1
26 1 5 1 "RMS(OBS, PRED)" CA 35 1.307 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.525 1
28 1 5 1 "RMS(OBS, PRED)" H 31 0.536 1
29 1 5 1 "RMS(OBS, PRED)" HA 40 0.370 1
30 1 5 1 "RMS(OBS, PRED)" N 31 3.254 1
31 1 6 1 "RMS(OBS, PRED)" C 34 1.260 1
32 1 6 1 "RMS(OBS, PRED)" CA 35 1.445 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.415 1
34 1 6 1 "RMS(OBS, PRED)" H 31 0.397 1
35 1 6 1 "RMS(OBS, PRED)" HA 40 0.398 1
36 1 6 1 "RMS(OBS, PRED)" N 31 3.020 1
37 1 7 1 "RMS(OBS, PRED)" C 34 1.152 1
38 1 7 1 "RMS(OBS, PRED)" CA 35 1.367 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.299 1
40 1 7 1 "RMS(OBS, PRED)" H 31 0.500 1
41 1 7 1 "RMS(OBS, PRED)" HA 40 0.407 1
42 1 7 1 "RMS(OBS, PRED)" N 31 3.125 1
43 1 8 1 "RMS(OBS, PRED)" C 34 1.144 1
44 1 8 1 "RMS(OBS, PRED)" CA 35 1.287 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.559 1
46 1 8 1 "RMS(OBS, PRED)" H 31 0.475 1
47 1 8 1 "RMS(OBS, PRED)" HA 40 0.342 1
48 1 8 1 "RMS(OBS, PRED)" N 31 2.789 1
49 1 9 1 "RMS(OBS, PRED)" C 34 1.319 1
50 1 9 1 "RMS(OBS, PRED)" CA 35 1.436 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.134 1
52 1 9 1 "RMS(OBS, PRED)" H 31 0.535 1
53 1 9 1 "RMS(OBS, PRED)" HA 40 0.333 1
54 1 9 1 "RMS(OBS, PRED)" N 31 2.486 1
55 1 10 1 "RMS(OBS, PRED)" C 34 1.206 1
56 1 10 1 "RMS(OBS, PRED)" CA 35 1.362 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.364 1
58 1 10 1 "RMS(OBS, PRED)" H 31 0.486 1
59 1 10 1 "RMS(OBS, PRED)" HA 40 0.359 1
60 1 10 1 "RMS(OBS, PRED)" N 31 2.840 1
61 1 11 1 "RMS(OBS, PRED)" C 34 1.215 1
62 1 11 1 "RMS(OBS, PRED)" CA 35 1.416 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.229 1
64 1 11 1 "RMS(OBS, PRED)" H 31 0.462 1
65 1 11 1 "RMS(OBS, PRED)" HA 40 0.359 1
66 1 11 1 "RMS(OBS, PRED)" N 31 2.998 1
67 1 12 1 "RMS(OBS, PRED)" C 34 1.085 1
68 1 12 1 "RMS(OBS, PRED)" CA 35 1.399 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.378 1
70 1 12 1 "RMS(OBS, PRED)" H 31 0.552 1
71 1 12 1 "RMS(OBS, PRED)" HA 40 0.336 1
72 1 12 1 "RMS(OBS, PRED)" N 31 2.843 1
73 1 13 1 "RMS(OBS, PRED)" C 34 1.129 1
74 1 13 1 "RMS(OBS, PRED)" CA 35 1.515 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.549 1
76 1 13 1 "RMS(OBS, PRED)" H 31 0.515 1
77 1 13 1 "RMS(OBS, PRED)" HA 40 0.318 1
78 1 13 1 "RMS(OBS, PRED)" N 31 2.679 1
79 1 14 1 "RMS(OBS, PRED)" C 34 1.101 1
80 1 14 1 "RMS(OBS, PRED)" CA 35 1.474 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.562 1
82 1 14 1 "RMS(OBS, PRED)" H 31 0.549 1
83 1 14 1 "RMS(OBS, PRED)" HA 40 0.445 1
84 1 14 1 "RMS(OBS, PRED)" N 31 2.562 1
85 1 15 1 "RMS(OBS, PRED)" C 34 1.149 1
86 1 15 1 "RMS(OBS, PRED)" CA 35 1.356 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.402 1
88 1 15 1 "RMS(OBS, PRED)" H 31 0.477 1
89 1 15 1 "RMS(OBS, PRED)" HA 40 0.386 1
90 1 15 1 "RMS(OBS, PRED)" N 31 2.666 1
91 1 16 1 "RMS(OBS, PRED)" C 34 1.078 1
92 1 16 1 "RMS(OBS, PRED)" CA 35 1.403 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.549 1
94 1 16 1 "RMS(OBS, PRED)" H 31 0.548 1
95 1 16 1 "RMS(OBS, PRED)" HA 40 0.416 1
96 1 16 1 "RMS(OBS, PRED)" N 31 3.199 1
97 1 17 1 "RMS(OBS, PRED)" C 34 1.100 1
98 1 17 1 "RMS(OBS, PRED)" CA 35 1.449 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.397 1
100 1 17 1 "RMS(OBS, PRED)" H 31 0.479 1
101 1 17 1 "RMS(OBS, PRED)" HA 40 0.378 1
102 1 17 1 "RMS(OBS, PRED)" N 31 3.066 1
103 1 18 1 "RMS(OBS, PRED)" C 34 1.100 1
104 1 18 1 "RMS(OBS, PRED)" CA 35 1.446 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.347 1
106 1 18 1 "RMS(OBS, PRED)" H 31 0.503 1
107 1 18 1 "RMS(OBS, PRED)" HA 40 0.357 1
108 1 18 1 "RMS(OBS, PRED)" N 31 2.933 1
109 1 19 1 "RMS(OBS, PRED)" C 34 1.201 1
110 1 19 1 "RMS(OBS, PRED)" CA 35 1.307 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.238 1
112 1 19 1 "RMS(OBS, PRED)" H 31 0.492 1
113 1 19 1 "RMS(OBS, PRED)" HA 40 0.339 1
114 1 19 1 "RMS(OBS, PRED)" N 31 2.885 1
115 1 20 1 "RMS(OBS, PRED)" C 34 0.975 1
116 1 20 1 "RMS(OBS, PRED)" CA 35 1.094 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.552 1
118 1 20 1 "RMS(OBS, PRED)" H 31 0.450 1
119 1 20 1 "RMS(OBS, PRED)" HA 40 0.338 1
120 1 20 1 "RMS(OBS, PRED)" N 31 2.971 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 7 7 GLY HA2 H 7 3.954 4.084 -0.130 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.954 4.086 -0.132 2
1 3 . 1 1 A 7 7 GLY C C 7 173.934 173.758 0.176 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.271 45.396 -0.125 2
1 5 . 1 1 A 8 8 VAL H H 8 7.897 8.249 -0.352 2
1 6 . 1 1 A 8 8 VAL HA H 8 4.047 4.407 -0.360 2
1 14 . 1 1 A 8 8 VAL C C 8 175.891 175.269 0.622 2
1 15 . 1 1 A 8 8 VAL CA C 8 62.520 61.402 1.118 2
1 16 . 1 1 A 8 8 VAL CB C 8 32.445 32.861 -0.416 2
1 19 . 1 1 A 8 8 VAL N N 8 119.114 119.695 -0.581 2
1 20 . 1 1 A 9 9 LYS H H 9 8.299 8.059 0.239 2
1 21 . 1 1 A 9 9 LYS HA H 9 4.522 4.649 -0.128 2
1 28 . 1 1 A 9 9 LYS C C 9 173.981 176.140 -2.159 2
1 29 . 1 1 A 9 9 LYS CA C 9 53.793 53.934 -0.141 2
1 30 . 1 1 A 9 9 LYS CB C 9 33.011 32.783 0.228 2
1 34 . 1 1 A 9 9 LYS N N 9 125.248 122.899 2.349 2
1 35 . 1 1 A 10 10 PRO HA H 10 4.290 4.332 -0.042 2
1 42 . 1 1 A 10 10 PRO C C 10 176.364 175.736 0.628 2
1 43 . 1 1 A 10 10 PRO CA C 10 63.426 64.364 -0.938 2
1 44 . 1 1 A 10 10 PRO CB C 10 32.209 31.554 0.655 2
1 47 . 1 1 A 11 11 TYR H H 11 7.981 7.643 0.338 2
1 48 . 1 1 A 11 11 TYR HA H 11 4.659 5.146 -0.487 2
1 55 . 1 1 A 11 11 TYR C C 11 175.225 175.288 -0.063 2
1 56 . 1 1 A 11 11 TYR CA C 11 57.195 56.323 0.872 2
1 57 . 1 1 A 11 11 TYR CB C 11 38.185 40.309 -2.123 2
1 62 . 1 1 A 11 11 TYR N N 11 117.941 118.004 -0.063 2
1 63 . 1 1 A 12 12 GLY H H 12 8.475 8.853 -0.378 2
1 64 . 1 1 A 12 12 GLY HA2 H 12 3.630 4.278 -0.648 2
1 65 . 1 1 A 12 12 GLY HA3 H 12 4.709 4.345 0.364 2
1 66 . 1 1 A 12 12 GLY C C 12 172.847 173.136 -0.289 2
1 67 . 1 1 A 12 12 GLY CA C 12 44.512 45.333 -0.821 2
1 68 . 1 1 A 12 12 GLY N N 12 111.547 110.403 1.144 2
1 69 . 1 1 A 13 13 CYS H H 13 9.098 8.933 0.165 2
1 70 . 1 1 A 13 13 CYS HA H 13 4.701 4.612 0.089 2
1 73 . 1 1 A 13 13 CYS C C 13 177.769 175.517 2.252 2
1 74 . 1 1 A 13 13 CYS CA C 13 59.277 59.743 -0.466 2
1 75 . 1 1 A 13 13 CYS CB C 13 30.109 28.658 1.451 2
1 76 . 1 1 A 13 13 CYS N N 13 124.934 124.256 0.678 2
1 77 . 1 1 A 14 14 SER H H 14 9.169 8.973 0.196 2
1 78 . 1 1 A 14 14 SER HA H 14 4.273 4.505 -0.232 2
1 81 . 1 1 A 14 14 SER C C 14 174.567 175.861 -1.294 2
1 82 . 1 1 A 14 14 SER CA C 14 60.801 59.577 1.224 2
1 83 . 1 1 A 14 14 SER CB C 14 63.065 63.283 -0.218 2
1 84 . 1 1 A 14 14 SER N N 14 127.617 122.258 5.359 2
1 85 . 1 1 A 15 15 GLU H H 15 9.031 8.062 0.969 2
1 86 . 1 1 A 15 15 GLU HA H 15 4.274 4.158 0.116 2
1 91 . 1 1 A 15 15 GLU C C 15 177.149 178.022 -0.873 2
1 92 . 1 1 A 15 15 GLU CA C 15 57.715 58.532 -0.817 2
1 93 . 1 1 A 15 15 GLU CB C 15 29.512 30.184 -0.672 2
1 95 . 1 1 A 15 15 GLU N N 15 123.683 121.353 2.330 2
1 96 . 1 1 A 16 16 CYS H H 16 8.253 7.852 0.401 2
1 97 . 1 1 A 16 16 CYS HA H 16 5.178 4.677 0.501 2
1 100 . 1 1 A 16 16 CYS C C 16 176.203 175.359 0.843 2
1 101 . 1 1 A 16 16 CYS CA C 16 58.466 59.674 -1.208 2
1 102 . 1 1 A 16 16 CYS CB C 16 32.439 29.830 2.609 2
1 103 . 1 1 A 16 16 CYS N N 16 116.046 115.021 1.025 2
1 104 . 1 1 A 17 17 GLY H H 17 8.087 8.211 -0.124 2
1 105 . 1 1 A 17 17 GLY HA2 H 17 3.882 4.043 -0.161 2
1 106 . 1 1 A 17 17 GLY HA3 H 17 4.225 4.051 0.174 2
1 107 . 1 1 A 17 17 GLY C C 17 174.332 173.939 0.393 2
1 108 . 1 1 A 17 17 GLY CA C 17 46.224 45.875 0.349 2
1 109 . 1 1 A 17 17 GLY N N 17 112.453 109.843 2.610 2
1 110 . 1 1 A 18 18 LYS H H 18 7.998 7.782 0.216 2
1 111 . 1 1 A 18 18 LYS HA H 18 4.011 4.732 -0.721 2
1 120 . 1 1 A 18 18 LYS C C 18 173.574 174.727 -1.153 2
1 121 . 1 1 A 18 18 LYS CA C 18 58.142 54.121 4.021 2
1 122 . 1 1 A 18 18 LYS CB C 18 33.979 35.710 -1.731 2
1 126 . 1 1 A 18 18 LYS N N 18 123.407 118.988 4.419 2
1 127 . 1 1 A 19 19 ALA H H 19 7.768 8.277 -0.509 2
1 128 . 1 1 A 19 19 ALA HA H 19 5.057 5.276 -0.219 2
1 132 . 1 1 A 19 19 ALA C C 19 176.149 175.115 1.034 2
1 133 . 1 1 A 19 19 ALA CA C 19 50.649 50.203 0.446 2
1 134 . 1 1 A 19 19 ALA CB C 19 22.135 23.427 -1.292 2
1 135 . 1 1 A 19 19 ALA N N 19 122.869 121.159 1.710 2
1 136 . 1 1 A 20 20 PHE H H 20 8.400 8.671 -0.271 2
1 137 . 1 1 A 20 20 PHE HA H 20 4.787 4.968 -0.181 2
1 145 . 1 1 A 20 20 PHE C C 20 175.996 175.619 0.376 2
1 146 . 1 1 A 20 20 PHE CA C 20 57.402 56.321 1.081 2
1 147 . 1 1 A 20 20 PHE CB C 20 44.177 42.003 2.174 2
1 153 . 1 1 A 20 20 PHE N N 20 116.260 116.308 -0.048 2
1 154 . 1 1 A 21 21 ARG H H 21 9.316 8.817 0.499 2
1 155 . 1 1 A 21 21 ARG HA H 21 4.478 4.258 0.220 2
1 162 . 1 1 A 21 21 ARG C C 21 175.389 175.879 -0.490 2
1 163 . 1 1 A 21 21 ARG CA C 21 57.837 58.417 -0.580 2
1 164 . 1 1 A 21 21 ARG CB C 21 31.184 30.322 0.862 2
1 167 . 1 1 A 21 21 ARG N N 21 119.000 125.390 -6.390 2
1 168 . 1 1 A 22 22 SER H H 22 7.474 7.964 -0.490 2
1 169 . 1 1 A 22 22 SER HA H 22 4.696 4.845 -0.149 2
1 172 . 1 1 A 22 22 SER C C 22 173.464 174.435 -0.971 2
1 173 . 1 1 A 22 22 SER CA C 22 55.901 56.636 -0.735 2
1 174 . 1 1 A 22 22 SER CB C 22 66.117 65.748 0.369 2
1 175 . 1 1 A 22 22 SER N N 22 109.845 113.443 -3.598 2
1 176 . 1 1 A 23 23 LYS H H 23 8.388 8.566 -0.178 2
1 177 . 1 1 A 23 23 LYS HA H 23 3.324 3.080 0.244 2
1 186 . 1 1 A 23 23 LYS C C 23 178.109 178.077 0.032 2
1 187 . 1 1 A 23 23 LYS CA C 23 58.994 59.098 -0.104 2
1 188 . 1 1 A 23 23 LYS CB C 23 31.895 31.984 -0.089 2
1 192 . 1 1 A 23 23 LYS N N 23 125.361 125.065 0.296 2
1 193 . 1 1 A 24 24 SER H H 24 8.217 8.078 0.139 2
1 194 . 1 1 A 24 24 SER HA H 24 3.980 4.077 -0.097 2
1 197 . 1 1 A 24 24 SER C C 24 176.910 176.500 0.410 2
1 198 . 1 1 A 24 24 SER CA C 24 61.457 61.665 -0.208 2
1 199 . 1 1 A 24 24 SER CB C 24 61.986 62.694 -0.707 2
1 200 . 1 1 A 24 24 SER N N 24 113.056 114.738 -1.682 2
1 201 . 1 1 A 25 25 TYR H H 25 7.270 8.156 -0.886 2
1 202 . 1 1 A 25 25 TYR HA H 25 4.258 4.281 -0.023 2
1 209 . 1 1 A 25 25 TYR C C 25 178.363 177.667 0.696 2
1 210 . 1 1 A 25 25 TYR CA C 25 59.989 60.988 -0.999 2
1 211 . 1 1 A 25 25 TYR CB C 25 37.656 38.311 -0.655 2
1 216 . 1 1 A 25 25 TYR N N 25 119.562 120.348 -0.786 2
1 217 . 1 1 A 26 26 LEU H H 26 7.354 7.751 -0.397 2
1 218 . 1 1 A 26 26 LEU HA H 26 3.466 2.259 1.207 2
1 228 . 1 1 A 26 26 LEU C C 26 177.513 178.246 -0.733 2
1 229 . 1 1 A 26 26 LEU CA C 26 58.142 57.626 0.516 2
1 230 . 1 1 A 26 26 LEU CB C 26 40.723 41.345 -0.622 2
1 234 . 1 1 A 26 26 LEU N N 26 122.537 120.504 2.033 2
1 235 . 1 1 A 27 27 ILE H H 27 8.244 7.672 0.572 2
1 236 . 1 1 A 27 27 ILE HA H 27 3.594 3.516 0.078 2
1 246 . 1 1 A 27 27 ILE C C 27 179.045 177.824 1.221 2
1 247 . 1 1 A 27 27 ILE CA C 27 65.264 65.222 0.042 2
1 248 . 1 1 A 27 27 ILE CB C 27 37.650 37.723 -0.073 2
1 252 . 1 1 A 27 27 ILE N N 27 120.012 119.318 0.694 2
1 253 . 1 1 A 28 28 ILE H H 28 7.350 7.873 -0.523 2
1 254 . 1 1 A 28 28 ILE HA H 28 3.541 3.747 -0.206 2
1 264 . 1 1 A 28 28 ILE C C 28 179.008 177.900 1.108 2
1 265 . 1 1 A 28 28 ILE CA C 28 65.093 64.646 0.447 2
1 266 . 1 1 A 28 28 ILE CB C 28 38.473 37.747 0.726 2
1 270 . 1 1 A 28 28 ILE N N 28 119.450 120.220 -0.770 2
1 271 . 1 1 A 29 29 HIS H H 29 7.774 8.022 -0.248 2
1 272 . 1 1 A 29 29 HIS HA H 29 4.210 4.319 -0.109 2
1 277 . 1 1 A 29 29 HIS C C 29 178.135 177.058 1.077 2
1 278 . 1 1 A 29 29 HIS CA C 29 59.320 58.775 0.545 2
1 279 . 1 1 A 29 29 HIS CB C 29 28.240 30.281 -2.041 2
1 282 . 1 1 A 29 29 HIS N N 29 119.901 121.323 -1.422 2
1 283 . 1 1 A 30 30 MET H H 30 8.859 8.403 0.456 2
1 284 . 1 1 A 30 30 MET HA H 30 4.061 4.061 -0.000 2
1 292 . 1 1 A 30 30 MET C C 30 178.435 178.138 0.297 2
1 293 . 1 1 A 30 30 MET CA C 30 58.334 58.302 0.032 2
1 294 . 1 1 A 30 30 MET CB C 30 30.760 32.200 -1.440 2
1 297 . 1 1 A 30 30 MET N N 30 119.643 117.248 2.395 2
1 298 . 1 1 A 31 31 ARG H H 31 7.334 8.232 -0.898 2
1 299 . 1 1 A 31 31 ARG HA H 31 4.214 4.072 0.142 2
1 306 . 1 1 A 31 31 ARG C C 31 178.442 177.994 0.448 2
1 307 . 1 1 A 31 31 ARG CA C 31 58.742 58.933 -0.191 2
1 308 . 1 1 A 31 31 ARG CB C 31 29.921 29.933 -0.012 2
1 311 . 1 1 A 31 31 ARG N N 31 117.860 118.541 -0.681 2
1 312 . 1 1 A 32 32 THR H H 32 7.892 7.917 -0.025 2
1 313 . 1 1 A 32 32 THR HA H 32 4.129 3.973 0.156 2
1 318 . 1 1 A 32 32 THR C C 32 175.441 176.613 -1.172 2
1 319 . 1 1 A 32 32 THR CA C 32 63.963 65.253 -1.290 2
1 320 . 1 1 A 32 32 THR CB C 32 69.388 68.201 1.187 2
1 322 . 1 1 A 32 32 THR N N 32 109.787 113.051 -3.264 2
1 323 . 1 1 A 33 33 HIS H H 33 7.270 7.680 -0.410 2
1 324 . 1 1 A 33 33 HIS HA H 33 4.921 4.332 0.589 2
1 329 . 1 1 A 33 33 HIS C C 33 175.596 175.954 -0.358 2
1 330 . 1 1 A 33 33 HIS CA C 33 55.469 58.606 -3.137 2
1 331 . 1 1 A 33 33 HIS CB C 33 28.877 29.778 -0.901 2
1 334 . 1 1 A 33 33 HIS N N 33 118.636 118.799 -0.163 2
1 335 . 1 1 A 34 34 THR H H 34 7.842 7.885 -0.043 2
1 336 . 1 1 A 34 34 THR HA H 34 4.377 4.435 -0.058 2
1 341 . 1 1 A 34 34 THR C C 34 175.388 174.286 1.102 2
1 342 . 1 1 A 34 34 THR CA C 34 62.369 61.523 0.846 2
1 343 . 1 1 A 34 34 THR CB C 34 69.883 70.006 -0.123 2
1 345 . 1 1 A 34 34 THR N N 34 112.003 110.038 1.965 2
1 346 . 1 1 A 35 35 GLY H H 35 8.325 8.344 -0.018 2
1 347 . 1 1 A 35 35 GLY HA2 H 35 4.037 4.049 -0.012 2
1 348 . 1 1 A 35 35 GLY HA3 H 35 3.961 4.053 -0.092 2
1 349 . 1 1 A 35 35 GLY C C 35 174.027 173.844 0.183 2
1 350 . 1 1 A 35 35 GLY CA C 35 45.420 45.465 -0.045 2
1 351 . 1 1 A 35 35 GLY N N 35 110.924 112.528 -1.604 2
1 352 . 1 1 A 36 36 GLU H H 36 8.134 8.362 -0.228 2
1 353 . 1 1 A 36 36 GLU HA H 36 4.252 4.521 -0.269 2
1 358 . 1 1 A 36 36 GLU C C 36 176.217 175.466 0.751 2
1 359 . 1 1 A 36 36 GLU CA C 36 56.529 55.824 0.705 2
1 360 . 1 1 A 36 36 GLU CB C 36 30.526 30.335 0.191 2
1 362 . 1 1 A 36 36 GLU N N 36 120.646 120.175 0.471 2
1 363 . 1 1 A 37 37 LYS H H 37 8.442 8.128 0.314 2
1 364 . 1 1 A 37 37 LYS HA H 37 4.624 4.550 0.074 2
1 373 . 1 1 A 37 37 LYS C C 37 174.470 175.566 -1.096 2
1 374 . 1 1 A 37 37 LYS CA C 37 54.105 54.371 -0.266 2
1 375 . 1 1 A 37 37 LYS CB C 37 32.513 33.116 -0.603 2
1 379 . 1 1 A 37 37 LYS N N 37 123.934 122.049 1.885 2
1 380 . 1 1 A 38 38 PRO HA H 38 4.472 4.554 -0.082 2
1 387 . 1 1 A 38 38 PRO C C 38 176.963 176.312 0.651 2
1 388 . 1 1 A 38 38 PRO CA C 38 63.242 63.682 -0.440 2
1 389 . 1 1 A 38 38 PRO CB C 38 32.184 31.715 0.469 2
1 392 . 1 1 A 39 39 SER H H 39 8.479 8.114 0.365 2
1 393 . 1 1 A 39 39 SER HA H 39 4.478 4.650 -0.172 2
1 396 . 1 1 A 39 39 SER C C 39 174.643 174.312 0.331 2
1 397 . 1 1 A 39 39 SER CA C 39 58.498 58.351 0.147 2
1 398 . 1 1 A 39 39 SER CB C 39 63.958 64.416 -0.458 2
1 399 . 1 1 A 39 39 SER N N 39 116.485 114.735 1.750 2
1 400 . 1 1 A 40 40 GLY H H 40 8.234 8.425 -0.192 2
1 401 . 1 1 A 40 40 GLY HA2 H 40 4.173 4.104 0.069 2
1 402 . 1 1 A 40 40 GLY HA3 H 40 4.122 4.104 0.018 2
1 403 . 1 1 A 40 40 GLY C C 40 171.735 173.932 -2.197 2
1 404 . 1 1 A 40 40 GLY CA C 40 44.655 45.241 -0.586 2
1 405 . 1 1 A 40 40 GLY N N 40 110.650 111.632 -0.981 2
1 406 . 1 1 A 41 41 PRO HA H 41 4.474 4.497 -0.023 2
1 413 . 1 1 A 41 41 PRO CA C 41 63.258 63.737 -0.479 2
1 414 . 1 1 A 41 41 PRO CB C 41 32.111 32.077 0.034 2
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