data_10243_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10243
_Entry.PDB_ID 1X6E
_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 3.957 4.269 -0.312 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.957 4.317 -0.360 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.124 175.151 -1.027 1
1 4 . 1 1 1 A 7 7 GLY CA C 7 45.359 46.031 -0.672 1
1 5 . 1 1 1 A 8 8 ILE H H 8 7.939 7.480 0.459 1
1 6 . 1 1 1 A 8 8 ILE HA H 8 4.106 4.071 0.035 1
1 16 . 1 1 1 A 8 8 ILE C C 8 176.213 177.386 -1.173 1
1 17 . 1 1 1 A 8 8 ILE CA C 8 61.378 62.978 -1.600 1
1 18 . 1 1 1 A 8 8 ILE CB C 8 38.603 37.773 0.830 1
1 22 . 1 1 1 A 8 8 ILE N N 8 119.652 120.366 -0.714 1
1 23 . 1 1 1 A 9 9 HIS H H 9 8.409 7.589 0.820 1
1 24 . 1 1 1 A 9 9 HIS C C 9 175.436 175.846 -0.410 1
1 25 . 1 1 1 A 9 9 HIS CA C 9 56.065 58.927 -2.862 1
1 26 . 1 1 1 A 9 9 HIS CB C 9 30.677 29.623 1.054 1
1 27 . 1 1 1 A 9 9 HIS N N 9 123.607 120.344 3.263 1
1 28 . 1 1 1 A 10 10 SER HA H 10 4.484 4.491 -0.007 1
1 31 . 1 1 1 A 10 10 SER C C 10 174.981 174.795 0.186 1
1 32 . 1 1 1 A 10 10 SER CA C 10 58.621 58.594 0.027 1
1 33 . 1 1 1 A 10 10 SER CB C 10 63.732 62.589 1.143 1
1 34 . 1 1 1 A 11 11 GLY H H 11 8.447 8.206 0.241 1
1 35 . 1 1 1 A 11 11 GLY HA2 H 11 3.936 4.073 -0.137 1
1 36 . 1 1 1 A 11 11 GLY HA3 H 11 3.936 4.082 -0.146 1
1 37 . 1 1 1 A 11 11 GLY C C 11 174.112 174.490 -0.378 1
1 38 . 1 1 1 A 11 11 GLY CA C 11 45.292 45.139 0.153 1
1 39 . 1 1 1 A 11 11 GLY N N 11 110.887 113.145 -2.258 1
1 40 . 1 1 1 A 12 12 GLU H H 12 8.200 8.072 0.128 1
1 41 . 1 1 1 A 12 12 GLU HA H 12 4.174 4.268 -0.094 1
1 46 . 1 1 1 A 12 12 GLU C C 12 176.545 175.806 0.739 1
1 47 . 1 1 1 A 12 12 GLU CA C 12 56.962 56.792 0.170 1
1 48 . 1 1 1 A 12 12 GLU CB C 12 30.388 30.516 -0.128 1
1 50 . 1 1 1 A 12 12 GLU N N 12 120.059 121.513 -1.454 1
1 51 . 1 1 1 A 13 13 LYS H H 13 8.280 8.095 0.185 1
1 52 . 1 1 1 A 13 13 LYS HA H 13 4.434 5.052 -0.618 1
1 61 . 1 1 1 A 13 13 LYS C C 13 173.760 175.299 -1.539 1
1 62 . 1 1 1 A 13 13 LYS CA C 13 53.742 53.537 0.205 1
1 63 . 1 1 1 A 13 13 LYS CB C 13 33.067 33.179 -0.112 1
1 67 . 1 1 1 A 13 13 LYS N N 13 121.235 127.119 -5.884 1
1 68 . 1 1 1 A 14 14 PRO HA H 14 4.268 4.604 -0.336 1
1 75 . 1 1 1 A 14 14 PRO C C 14 176.391 175.925 0.466 1
1 76 . 1 1 1 A 14 14 PRO CA C 14 63.473 64.407 -0.934 1
1 77 . 1 1 1 A 14 14 PRO CB C 14 32.243 31.719 0.524 1
1 80 . 1 1 1 A 15 15 TYR H H 15 7.898 7.654 0.244 1
1 81 . 1 1 1 A 15 15 TYR HA H 15 4.609 4.973 -0.364 1
1 88 . 1 1 1 A 15 15 TYR C C 15 175.259 175.667 -0.408 1
1 89 . 1 1 1 A 15 15 TYR CA C 15 57.252 56.495 0.757 1
1 90 . 1 1 1 A 15 15 TYR CB C 15 37.800 40.939 -3.139 1
1 95 . 1 1 1 A 15 15 TYR N N 15 118.120 118.755 -0.635 1
1 96 . 1 1 1 A 16 16 GLY H H 16 8.420 8.755 -0.335 1
1 97 . 1 1 1 A 16 16 GLY HA2 H 16 4.634 4.464 0.170 1
1 98 . 1 1 1 A 16 16 GLY HA3 H 16 3.568 4.499 -0.931 1
1 99 . 1 1 1 A 16 16 GLY C C 16 172.667 172.542 0.125 1
1 100 . 1 1 1 A 16 16 GLY CA C 16 44.599 44.843 -0.244 1
1 101 . 1 1 1 A 16 16 GLY N N 16 111.924 109.710 2.214 1
1 102 . 1 1 1 A 17 17 CYS H H 17 9.142 8.842 0.300 1
1 103 . 1 1 1 A 17 17 CYS HA H 17 4.712 5.083 -0.371 1
1 106 . 1 1 1 A 17 17 CYS C C 17 177.696 174.760 2.936 1
1 107 . 1 1 1 A 17 17 CYS CA C 17 58.694 58.236 0.458 1
1 108 . 1 1 1 A 17 17 CYS CB C 17 29.770 29.429 0.341 1
1 109 . 1 1 1 A 17 17 CYS N N 17 125.008 118.436 6.572 1
1 110 . 1 1 1 A 18 18 VAL H H 18 9.089 8.378 0.711 1
1 111 . 1 1 1 A 18 18 VAL HA H 18 4.003 4.174 -0.171 1
1 119 . 1 1 1 A 18 18 VAL C C 18 176.506 177.668 -1.162 1
1 120 . 1 1 1 A 18 18 VAL CA C 18 64.407 63.765 0.642 1
1 121 . 1 1 1 A 18 18 VAL CB C 18 31.744 33.541 -1.797 1
1 124 . 1 1 1 A 18 18 VAL N N 18 129.598 124.455 5.143 1
1 125 . 1 1 1 A 19 19 GLU H H 19 8.413 7.845 0.568 1
1 126 . 1 1 1 A 19 19 GLU HA H 19 4.187 3.903 0.284 1
1 131 . 1 1 1 A 19 19 GLU C C 19 177.385 177.778 -0.393 1
1 132 . 1 1 1 A 19 19 GLU CA C 19 58.535 59.528 -0.993 1
1 133 . 1 1 1 A 19 19 GLU CB C 19 29.358 28.736 0.622 1
1 135 . 1 1 1 A 19 19 GLU N N 19 121.264 121.837 -0.573 1
1 136 . 1 1 1 A 20 20 CYS H H 20 7.854 7.339 0.515 1
1 137 . 1 1 1 A 20 20 CYS HA H 20 5.142 4.778 0.364 1
1 140 . 1 1 1 A 20 20 CYS C C 20 176.237 175.788 0.449 1
1 141 . 1 1 1 A 20 20 CYS CA C 20 58.341 59.466 -1.125 1
1 142 . 1 1 1 A 20 20 CYS CB C 20 32.531 30.093 2.438 1
1 143 . 1 1 1 A 20 20 CYS N N 20 113.736 114.475 -0.739 1
1 144 . 1 1 1 A 21 21 GLY H H 21 8.281 8.191 0.090 1
1 145 . 1 1 1 A 21 21 GLY HA2 H 21 4.216 4.065 0.151 1
1 146 . 1 1 1 A 21 21 GLY HA3 H 21 3.784 4.075 -0.291 1
1 147 . 1 1 1 A 21 21 GLY C C 21 174.288 174.420 -0.132 1
1 148 . 1 1 1 A 21 21 GLY CA C 21 46.159 45.159 1.000 1
1 149 . 1 1 1 A 21 21 GLY N N 21 113.574 110.114 3.460 1
1 150 . 1 1 1 A 22 22 LYS H H 22 7.891 7.390 0.501 1
1 151 . 1 1 1 A 22 22 LYS HA H 22 3.989 4.091 -0.102 1
1 160 . 1 1 1 A 22 22 LYS C C 22 173.452 175.212 -1.760 1
1 161 . 1 1 1 A 22 22 LYS CA C 22 57.789 56.093 1.696 1
1 162 . 1 1 1 A 22 22 LYS CB C 22 34.125 32.641 1.484 1
1 166 . 1 1 1 A 22 22 LYS N N 22 122.877 120.014 2.863 1
1 167 . 1 1 1 A 23 23 ALA H H 23 7.645 8.326 -0.681 1
1 168 . 1 1 1 A 23 23 ALA HA H 23 4.925 5.258 -0.333 1
1 172 . 1 1 1 A 23 23 ALA C C 23 175.868 176.278 -0.410 1
1 173 . 1 1 1 A 23 23 ALA CA C 23 50.523 50.468 0.055 1
1 174 . 1 1 1 A 23 23 ALA CB C 23 22.145 21.022 1.123 1
1 175 . 1 1 1 A 23 23 ALA N N 23 122.280 127.464 -5.184 1
1 176 . 1 1 1 A 24 24 PHE H H 24 8.337 8.988 -0.651 1
1 177 . 1 1 1 A 24 24 PHE HA H 24 4.890 4.875 0.015 1
1 185 . 1 1 1 A 24 24 PHE C C 24 175.994 176.085 -0.091 1
1 186 . 1 1 1 A 24 24 PHE CA C 24 56.926 56.847 0.079 1
1 187 . 1 1 1 A 24 24 PHE CB C 24 43.626 41.992 1.634 1
1 193 . 1 1 1 A 24 24 PHE N N 24 116.352 118.237 -1.885 1
1 194 . 1 1 1 A 25 25 SER H H 25 9.344 8.784 0.560 1
1 195 . 1 1 1 A 25 25 SER HA H 25 4.612 4.343 0.269 1
1 198 . 1 1 1 A 25 25 SER C C 25 174.148 174.673 -0.525 1
1 199 . 1 1 1 A 25 25 SER CA C 25 60.554 60.570 -0.016 1
1 200 . 1 1 1 A 25 25 SER CB C 25 64.329 63.211 1.118 1
1 201 . 1 1 1 A 25 25 SER N N 25 115.148 118.264 -3.116 1
1 202 . 1 1 1 A 26 26 ARG H H 26 7.040 7.961 -0.921 1
1 203 . 1 1 1 A 26 26 ARG HA H 26 4.719 4.629 0.090 1
1 210 . 1 1 1 A 26 26 ARG C C 26 176.116 176.508 -0.392 1
1 211 . 1 1 1 A 26 26 ARG CA C 26 54.417 54.429 -0.012 1
1 212 . 1 1 1 A 26 26 ARG CB C 26 34.587 33.143 1.444 1
1 215 . 1 1 1 A 26 26 ARG N N 26 115.877 121.681 -5.804 1
1 216 . 1 1 1 A 27 27 SER H H 27 8.441 8.809 -0.368 1
1 217 . 1 1 1 A 27 27 SER HA H 27 3.278 3.675 -0.397 1
1 220 . 1 1 1 A 27 27 SER CA C 27 61.160 61.647 -0.487 1
1 221 . 1 1 1 A 27 27 SER CB C 27 61.910 62.359 -0.449 1
1 222 . 1 1 1 A 27 27 SER N N 27 120.683 117.618 3.065 1
1 223 . 1 1 1 A 28 28 SER HA H 28 3.969 4.194 -0.225 1
1 226 . 1 1 1 A 28 28 SER C C 28 176.640 177.117 -0.477 1
1 227 . 1 1 1 A 28 28 SER CA C 28 61.029 61.683 -0.654 1
1 228 . 1 1 1 A 28 28 SER CB C 28 61.506 62.455 -0.949 1
1 229 . 1 1 1 A 29 29 ILE H H 29 6.628 7.651 -1.023 1
1 230 . 1 1 1 A 29 29 ILE HA H 29 3.725 3.641 0.084 1
1 240 . 1 1 1 A 29 29 ILE C C 29 178.108 177.951 0.157 1
1 241 . 1 1 1 A 29 29 ILE CA C 29 63.470 64.083 -0.613 1
1 242 . 1 1 1 A 29 29 ILE CB C 29 38.013 36.826 1.187 1
1 246 . 1 1 1 A 29 29 ILE N N 29 122.549 122.648 -0.099 1
1 247 . 1 1 1 A 30 30 LEU H H 30 7.003 7.619 -0.616 1
1 248 . 1 1 1 A 30 30 LEU HA H 30 3.511 3.280 0.231 1
1 258 . 1 1 1 A 30 30 LEU C C 30 177.880 178.500 -0.620 1
1 259 . 1 1 1 A 30 30 LEU CA C 30 58.394 57.742 0.652 1
1 260 . 1 1 1 A 30 30 LEU CB C 30 40.239 41.956 -1.717 1
1 264 . 1 1 1 A 30 30 LEU N N 30 122.518 122.170 0.348 1
1 265 . 1 1 1 A 31 31 VAL H H 31 8.203 8.056 0.147 1
1 266 . 1 1 1 A 31 31 VAL HA H 31 3.709 3.493 0.216 1
1 274 . 1 1 1 A 31 31 VAL C C 31 179.070 177.433 1.637 1
1 275 . 1 1 1 A 31 31 VAL CA C 31 66.618 66.765 -0.147 1
1 276 . 1 1 1 A 31 31 VAL CB C 31 31.624 31.320 0.304 1
1 279 . 1 1 1 A 31 31 VAL N N 31 118.600 119.650 -1.050 1
1 280 . 1 1 1 A 32 32 GLN H H 32 7.323 7.420 -0.097 1
1 281 . 1 1 1 A 32 32 GLN HA H 32 3.927 4.068 -0.141 1
1 288 . 1 1 1 A 32 32 GLN C C 32 178.751 177.225 1.526 1
1 289 . 1 1 1 A 32 32 GLN CA C 32 58.772 58.400 0.372 1
1 290 . 1 1 1 A 32 32 GLN CB C 32 28.368 28.996 -0.628 1
1 292 . 1 1 1 A 32 32 GLN N N 32 118.113 118.701 -0.588 1
1 294 . 1 1 1 A 33 33 HIS H H 33 8.046 7.837 0.209 1
1 295 . 1 1 1 A 33 33 HIS HA H 33 4.148 4.287 -0.139 1
1 300 . 1 1 1 A 33 33 HIS C C 33 176.164 176.672 -0.508 1
1 301 . 1 1 1 A 33 33 HIS CA C 33 59.033 58.039 0.994 1
1 302 . 1 1 1 A 33 33 HIS CB C 33 27.726 30.375 -2.649 1
1 305 . 1 1 1 A 33 33 HIS N N 33 120.097 120.736 -0.639 1
1 306 . 1 1 1 A 34 34 GLN H H 34 8.348 7.610 0.738 1
1 307 . 1 1 1 A 34 34 GLN HA H 34 3.630 4.222 -0.592 1
1 314 . 1 1 1 A 34 34 GLN C C 34 177.457 177.479 -0.022 1
1 315 . 1 1 1 A 34 34 GLN CA C 34 59.367 56.711 2.656 1
1 316 . 1 1 1 A 34 34 GLN CB C 34 28.158 29.407 -1.249 1
1 318 . 1 1 1 A 34 34 GLN N N 34 115.621 117.630 -2.009 1
1 320 . 1 1 1 A 35 35 ARG H H 35 7.167 7.755 -0.588 1
1 321 . 1 1 1 A 35 35 ARG HA H 35 4.094 4.163 -0.069 1
1 328 . 1 1 1 A 35 35 ARG C C 35 178.544 178.054 0.490 1
1 329 . 1 1 1 A 35 35 ARG CA C 35 58.553 58.270 0.283 1
1 330 . 1 1 1 A 35 35 ARG CB C 35 30.016 30.213 -0.197 1
1 333 . 1 1 1 A 35 35 ARG N N 35 117.694 118.585 -0.891 1
1 334 . 1 1 1 A 36 36 VAL H H 36 7.878 7.674 0.204 1
1 335 . 1 1 1 A 36 36 VAL HA H 36 3.885 3.843 0.042 1
1 343 . 1 1 1 A 36 36 VAL C C 36 177.246 177.924 -0.678 1
1 344 . 1 1 1 A 36 36 VAL CA C 36 63.924 65.509 -1.585 1
1 345 . 1 1 1 A 36 36 VAL CB C 36 31.137 31.048 0.089 1
1 348 . 1 1 1 A 36 36 VAL N N 36 116.056 116.371 -0.315 1
1 349 . 1 1 1 A 37 37 HIS H H 37 7.151 7.908 -0.757 1
1 350 . 1 1 1 A 37 37 HIS HA H 37 4.877 4.192 0.685 1
1 355 . 1 1 1 A 37 37 HIS C C 37 175.769 177.923 -2.154 1
1 356 . 1 1 1 A 37 37 HIS CA C 37 55.034 59.401 -4.367 1
1 357 . 1 1 1 A 37 37 HIS CB C 37 28.415 29.472 -1.057 1
1 360 . 1 1 1 A 37 37 HIS N N 37 117.486 120.780 -3.294 1
1 361 . 1 1 1 A 38 38 THR H H 38 7.769 7.713 0.056 1
1 362 . 1 1 1 A 38 38 THR HA H 38 4.288 4.071 0.217 1
1 367 . 1 1 1 A 38 38 THR C C 38 175.391 174.747 0.644 1
1 368 . 1 1 1 A 38 38 THR CA C 38 62.697 64.663 -1.966 1
1 369 . 1 1 1 A 38 38 THR CB C 38 69.738 69.597 0.141 1
1 371 . 1 1 1 A 38 38 THR N N 38 112.779 114.185 -1.406 1
1 372 . 1 1 1 A 39 39 GLY H H 39 8.251 7.153 1.098 1
1 373 . 1 1 1 A 39 39 GLY HA2 H 39 3.994 4.041 -0.047 1
1 374 . 1 1 1 A 39 39 GLY HA3 H 39 3.920 4.046 -0.126 1
1 375 . 1 1 1 A 39 39 GLY C C 39 174.076 173.081 0.995 1
1 376 . 1 1 1 A 39 39 GLY CA C 39 45.288 44.140 1.148 1
1 377 . 1 1 1 A 39 39 GLY N N 39 110.331 107.687 2.644 1
1 378 . 1 1 1 A 40 40 GLU H H 40 8.076 8.492 -0.416 1
1 379 . 1 1 1 A 40 40 GLU HA H 40 4.139 4.587 -0.448 1
1 384 . 1 1 1 A 40 40 GLU C C 40 176.602 176.021 0.581 1
1 385 . 1 1 1 A 40 40 GLU CA C 40 56.915 55.789 1.126 1
1 386 . 1 1 1 A 40 40 GLU CB C 40 30.414 28.956 1.458 1
1 388 . 1 1 1 A 40 40 GLU N N 40 120.155 118.943 1.212 1
1 389 . 1 1 1 A 41 41 LYS H H 41 8.274 7.447 0.827 1
1 390 . 1 1 1 A 41 41 LYS HA H 41 4.496 5.058 -0.562 1
1 399 . 1 1 1 A 41 41 LYS C C 41 173.906 174.937 -1.031 1
1 400 . 1 1 1 A 41 41 LYS CA C 41 53.865 53.863 0.002 1
1 401 . 1 1 1 A 41 41 LYS CB C 41 33.372 32.799 0.573 1
1 405 . 1 1 1 A 41 41 LYS N N 41 121.689 121.102 0.587 1
1 406 . 1 1 1 A 42 42 PRO HA H 42 4.253 4.498 -0.245 1
1 413 . 1 1 1 A 42 42 PRO C C 42 176.660 175.745 0.915 1
1 414 . 1 1 1 A 42 42 PRO CA C 42 63.718 64.506 -0.788 1
1 415 . 1 1 1 A 42 42 PRO CB C 42 32.320 31.480 0.840 1
1 418 . 1 1 1 A 43 43 TYR H H 43 7.693 7.171 0.522 1
1 419 . 1 1 1 A 43 43 TYR HA H 43 4.600 4.917 -0.317 1
1 426 . 1 1 1 A 43 43 TYR C C 43 174.460 174.699 -0.239 1
1 427 . 1 1 1 A 43 43 TYR CA C 43 57.722 57.224 0.498 1
1 428 . 1 1 1 A 43 43 TYR CB C 43 37.840 39.146 -1.306 1
1 433 . 1 1 1 A 43 43 TYR N N 43 118.327 118.325 0.002 1
1 434 . 1 1 1 A 44 44 LYS H H 44 8.335 9.044 -0.709 1
1 435 . 1 1 1 A 44 44 LYS HA H 44 4.826 5.564 -0.738 1
1 444 . 1 1 1 A 44 44 LYS C C 44 174.679 175.461 -0.782 1
1 445 . 1 1 1 A 44 44 LYS CA C 44 55.423 54.296 1.127 1
1 446 . 1 1 1 A 44 44 LYS CB C 44 35.380 35.952 -0.572 1
1 450 . 1 1 1 A 44 44 LYS N N 44 125.187 125.793 -0.606 1
1 451 . 1 1 1 A 45 45 CYS H H 45 9.250 9.513 -0.263 1
1 452 . 1 1 1 A 45 45 CYS HA H 45 4.536 4.715 -0.179 1
1 455 . 1 1 1 A 45 45 CYS C C 45 177.400 174.696 2.704 1
1 456 . 1 1 1 A 45 45 CYS CA C 45 59.384 59.406 -0.022 1
1 457 . 1 1 1 A 45 45 CYS CB C 45 29.482 29.245 0.237 1
1 458 . 1 1 1 A 45 45 CYS N N 45 126.431 124.440 1.991 1
1 459 . 1 1 1 A 46 46 LEU H H 46 9.297 8.637 0.660 1
1 460 . 1 1 1 A 46 46 LEU HA H 46 4.192 4.616 -0.424 1
1 470 . 1 1 1 A 46 46 LEU C C 46 177.806 177.595 0.211 1
1 471 . 1 1 1 A 46 46 LEU CA C 46 56.944 55.118 1.826 1
1 472 . 1 1 1 A 46 46 LEU CB C 46 41.269 43.882 -2.613 1
1 476 . 1 1 1 A 46 46 LEU N N 46 132.501 126.783 5.718 1
1 477 . 1 1 1 A 47 47 GLU H H 47 8.568 7.579 0.989 1
1 478 . 1 1 1 A 47 47 GLU HA H 47 4.161 4.059 0.102 1
1 483 . 1 1 1 A 47 47 GLU C C 47 177.358 177.628 -0.270 1
1 484 . 1 1 1 A 47 47 GLU CA C 47 58.545 58.973 -0.428 1
1 485 . 1 1 1 A 47 47 GLU CB C 47 29.500 29.680 -0.180 1
1 487 . 1 1 1 A 47 47 GLU N N 47 120.165 120.882 -0.717 1
1 488 . 1 1 1 A 48 48 CYS H H 48 7.979 7.450 0.529 1
1 489 . 1 1 1 A 48 48 CYS HA H 48 5.182 4.600 0.582 1
1 492 . 1 1 1 A 48 48 CYS C C 48 176.224 175.421 0.803 1
1 493 . 1 1 1 A 48 48 CYS CA C 48 58.210 59.495 -1.285 1
1 494 . 1 1 1 A 48 48 CYS CB C 48 32.531 29.866 2.665 1
1 495 . 1 1 1 A 48 48 CYS N N 48 114.531 115.766 -1.235 1
1 496 . 1 1 1 A 49 49 GLY H H 49 8.156 8.003 0.153 1
1 497 . 1 1 1 A 49 49 GLY HA2 H 49 4.273 4.090 0.183 1
1 498 . 1 1 1 A 49 49 GLY HA3 H 49 3.771 4.125 -0.354 1
1 499 . 1 1 1 A 49 49 GLY C C 49 173.907 172.576 1.331 1
1 500 . 1 1 1 A 49 49 GLY CA C 49 46.207 44.913 1.294 1
1 501 . 1 1 1 A 49 49 GLY N N 49 113.613 109.053 4.560 1
1 502 . 1 1 1 A 50 50 LYS H H 50 7.961 8.671 -0.710 1
1 503 . 1 1 1 A 50 50 LYS HA H 50 3.936 4.689 -0.753 1
1 512 . 1 1 1 A 50 50 LYS C C 50 173.571 173.816 -0.245 1
1 513 . 1 1 1 A 50 50 LYS CA C 50 58.199 55.524 2.675 1
1 514 . 1 1 1 A 50 50 LYS CB C 50 33.479 36.439 -2.960 1
1 518 . 1 1 1 A 50 50 LYS N N 50 123.259 125.399 -2.140 1
1 519 . 1 1 1 A 51 51 ALA H H 51 7.740 8.518 -0.778 1
1 520 . 1 1 1 A 51 51 ALA HA H 51 5.179 5.573 -0.394 1
1 524 . 1 1 1 A 51 51 ALA C C 51 175.844 176.680 -0.836 1
1 525 . 1 1 1 A 51 51 ALA CA C 51 50.329 51.114 -0.785 1
1 526 . 1 1 1 A 51 51 ALA CB C 51 22.741 20.939 1.802 1
1 527 . 1 1 1 A 51 51 ALA N N 51 123.792 127.093 -3.301 1
1 528 . 1 1 1 A 52 52 PHE H H 52 8.698 9.178 -0.480 1
1 529 . 1 1 1 A 52 52 PHE HA H 52 4.653 4.898 -0.245 1
1 537 . 1 1 1 A 52 52 PHE C C 52 175.640 176.203 -0.563 1
1 538 . 1 1 1 A 52 52 PHE CA C 52 57.636 57.085 0.551 1
1 539 . 1 1 1 A 52 52 PHE CB C 52 43.314 42.501 0.813 1
1 545 . 1 1 1 A 52 52 PHE N N 52 116.792 118.393 -1.601 1
1 546 . 1 1 1 A 53 53 SER H H 53 9.246 8.866 0.380 1
1 547 . 1 1 1 A 53 53 SER HA H 53 4.627 4.781 -0.154 1
1 550 . 1 1 1 A 53 53 SER C C 53 173.837 174.353 -0.516 1
1 551 . 1 1 1 A 53 53 SER CA C 53 60.959 61.510 -0.551 1
1 552 . 1 1 1 A 53 53 SER CB C 53 64.077 62.961 1.116 1
1 553 . 1 1 1 A 53 53 SER N N 53 116.932 117.448 -0.516 1
1 554 . 1 1 1 A 54 54 GLN H H 54 7.873 8.092 -0.219 1
1 555 . 1 1 1 A 54 54 GLN HA H 54 4.774 4.736 0.038 1
1 562 . 1 1 1 A 54 54 GLN C C 54 176.112 175.462 0.650 1
1 563 . 1 1 1 A 54 54 GLN CA C 54 53.972 54.439 -0.467 1
1 564 . 1 1 1 A 54 54 GLN CB C 54 32.160 31.747 0.413 1
1 566 . 1 1 1 A 54 54 GLN N N 54 116.030 119.512 -3.482 1
1 568 . 1 1 1 A 55 55 ASN H H 55 8.494 8.123 0.371 1
1 569 . 1 1 1 A 55 55 ASN HA H 55 3.540 3.778 -0.238 1
1 574 . 1 1 1 A 55 55 ASN C C 55 177.306 176.939 0.367 1
1 575 . 1 1 1 A 55 55 ASN CA C 55 56.094 56.253 -0.159 1
1 576 . 1 1 1 A 55 55 ASN CB C 55 38.260 38.021 0.239 1
1 577 . 1 1 1 A 55 55 ASN N N 55 124.248 121.758 2.490 1
1 579 . 1 1 1 A 56 56 SER HA H 56 3.867 4.098 -0.231 1
1 582 . 1 1 1 A 56 56 SER C C 56 176.822 176.990 -0.168 1
1 583 . 1 1 1 A 56 56 SER CA C 56 60.888 62.075 -1.187 1
1 584 . 1 1 1 A 56 56 SER CB C 56 61.588 62.783 -1.195 1
1 585 . 1 1 1 A 57 57 GLY H H 57 7.104 8.204 -1.100 1
1 586 . 1 1 1 A 57 57 GLY HA2 H 57 3.893 3.701 0.192 1
1 587 . 1 1 1 A 57 57 GLY HA3 H 57 3.718 3.732 -0.014 1
1 588 . 1 1 1 A 57 57 GLY C C 57 175.641 175.297 0.344 1
1 589 . 1 1 1 A 57 57 GLY CA C 57 46.508 46.844 -0.336 1
1 590 . 1 1 1 A 57 57 GLY N N 57 109.816 109.211 0.605 1
1 591 . 1 1 1 A 58 58 LEU H H 58 6.781 7.746 -0.965 1
1 592 . 1 1 1 A 58 58 LEU HA H 58 3.288 2.517 0.771 1
1 602 . 1 1 1 A 58 58 LEU C C 58 177.650 178.004 -0.354 1
1 603 . 1 1 1 A 58 58 LEU CA C 58 57.726 56.475 1.251 1
1 604 . 1 1 1 A 58 58 LEU CB C 58 40.656 40.922 -0.266 1
1 608 . 1 1 1 A 58 58 LEU N N 58 124.058 121.932 2.126 1
1 609 . 1 1 1 A 59 59 ILE H H 59 8.281 8.087 0.194 1
1 610 . 1 1 1 A 59 59 ILE HA H 59 3.686 3.373 0.313 1
1 620 . 1 1 1 A 59 59 ILE C C 59 179.220 177.662 1.558 1
1 621 . 1 1 1 A 59 59 ILE CA C 59 64.389 65.361 -0.972 1
1 622 . 1 1 1 A 59 59 ILE CB C 59 37.545 37.767 -0.222 1
1 626 . 1 1 1 A 59 59 ILE N N 59 119.575 119.611 -0.036 1
1 627 . 1 1 1 A 60 60 ASN H H 60 7.677 8.208 -0.531 1
1 628 . 1 1 1 A 60 60 ASN HA H 60 4.326 4.430 -0.104 1
1 633 . 1 1 1 A 60 60 ASN C C 60 177.688 177.084 0.604 1
1 634 . 1 1 1 A 60 60 ASN CA C 60 56.183 55.951 0.232 1
1 635 . 1 1 1 A 60 60 ASN CB C 60 38.549 38.899 -0.350 1
1 636 . 1 1 1 A 60 60 ASN N N 60 116.791 118.789 -1.998 1
1 638 . 1 1 1 A 61 61 HIS H H 61 7.526 7.387 0.139 1
1 639 . 1 1 1 A 61 61 HIS HA H 61 4.172 4.216 -0.044 1
1 643 . 1 1 1 A 61 61 HIS C C 61 176.063 176.148 -0.085 1
1 644 . 1 1 1 A 61 61 HIS CA C 61 58.924 57.611 1.313 1
1 645 . 1 1 1 A 61 61 HIS CB C 61 29.110 30.286 -1.176 1
1 647 . 1 1 1 A 61 61 HIS N N 61 119.310 118.760 0.550 1
1 648 . 1 1 1 A 62 62 GLN H H 62 8.345 7.991 0.354 1
1 649 . 1 1 1 A 62 62 GLN HA H 62 3.631 4.181 -0.550 1
1 656 . 1 1 1 A 62 62 GLN C C 62 177.302 178.220 -0.918 1
1 657 . 1 1 1 A 62 62 GLN CA C 62 59.260 56.598 2.662 1
1 658 . 1 1 1 A 62 62 GLN CB C 62 28.161 29.420 -1.259 1
1 660 . 1 1 1 A 62 62 GLN N N 62 115.573 117.491 -1.918 1
1 662 . 1 1 1 A 63 63 ARG H H 63 7.029 8.061 -1.032 1
1 663 . 1 1 1 A 63 63 ARG HA H 63 4.091 4.024 0.067 1
1 670 . 1 1 1 A 63 63 ARG C C 63 178.257 177.760 0.497 1
1 671 . 1 1 1 A 63 63 ARG CA C 63 58.505 58.766 -0.261 1
1 672 . 1 1 1 A 63 63 ARG CB C 63 30.046 29.664 0.382 1
1 675 . 1 1 1 A 63 63 ARG N N 63 117.521 118.779 -1.258 1
1 676 . 1 1 1 A 64 64 ILE H H 64 7.763 7.435 0.328 1
1 677 . 1 1 1 A 64 64 ILE HA H 64 3.988 3.715 0.273 1
1 687 . 1 1 1 A 64 64 ILE C C 64 177.138 177.808 -0.670 1
1 688 . 1 1 1 A 64 64 ILE CA C 64 62.780 64.189 -1.409 1
1 689 . 1 1 1 A 64 64 ILE CB C 64 37.760 37.349 0.411 1
1 693 . 1 1 1 A 64 64 ILE N N 64 115.601 116.241 -0.640 1
1 694 . 1 1 1 A 65 65 HIS H H 65 7.261 7.365 -0.104 1
1 695 . 1 1 1 A 65 65 HIS HA H 65 4.867 4.307 0.560 1
1 700 . 1 1 1 A 65 65 HIS C C 65 175.314 178.211 -2.897 1
1 701 . 1 1 1 A 65 65 HIS CA C 65 54.927 59.281 -4.354 1
1 702 . 1 1 1 A 65 65 HIS CB C 65 28.723 29.641 -0.918 1
1 705 . 1 1 1 A 65 65 HIS N N 65 118.018 121.331 -3.313 1
1 706 . 1 1 1 A 66 66 THR H H 66 7.717 7.827 -0.110 1
1 707 . 1 1 1 A 66 66 THR HA H 66 4.433 3.957 0.476 1
1 712 . 1 1 1 A 66 66 THR C C 66 174.569 174.109 0.460 1
1 713 . 1 1 1 A 66 66 THR CA C 66 61.984 64.592 -2.608 1
1 714 . 1 1 1 A 66 66 THR CB C 66 69.832 69.032 0.800 1
1 716 . 1 1 1 A 66 66 THR N N 66 112.598 113.928 -1.330 1
1 717 . 1 1 1 A 67 67 SER H H 67 8.272 8.030 0.242 1
1 718 . 1 1 1 A 67 67 SER HA H 67 4.540 5.198 -0.658 1
1 721 . 1 1 1 A 67 67 SER C C 67 174.531 174.265 0.266 1
1 722 . 1 1 1 A 67 67 SER CA C 67 58.517 57.082 1.435 1
1 723 . 1 1 1 A 67 67 SER CB C 67 64.041 64.703 -0.662 1
1 724 . 1 1 1 A 67 67 SER N N 67 117.832 116.022 1.810 1
1 725 . 1 1 1 A 68 68 GLY H H 68 8.223 8.336 -0.113 1
1 726 . 1 1 1 A 68 68 GLY HA2 H 68 4.153 4.231 -0.078 1
1 727 . 1 1 1 A 68 68 GLY HA3 H 68 4.101 4.239 -0.138 1
1 728 . 1 1 1 A 68 68 GLY C C 68 171.817 174.157 -2.340 1
1 729 . 1 1 1 A 68 68 GLY CA C 68 44.704 45.502 -0.798 1
1 730 . 1 1 1 A 68 68 GLY N N 68 110.671 111.524 -0.853 1
1 731 . 1 1 1 A 69 69 PRO HA H 69 4.469 4.436 0.033 1
1 738 . 1 1 1 A 69 69 PRO CA C 69 63.244 64.597 -1.353 1
1 739 . 1 1 1 A 69 69 PRO CB C 69 32.208 32.221 -0.013 1
1 1 . 2 1 1 A 7 7 GLY HA2 H 7 3.957 4.067 -0.110 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.957 4.077 -0.120 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.124 174.858 -0.734 1
1 4 . 2 1 1 A 7 7 GLY CA C 7 45.359 45.714 -0.355 1
1 5 . 2 1 1 A 8 8 ILE H H 8 7.939 8.117 -0.178 1
1 6 . 2 1 1 A 8 8 ILE HA H 8 4.106 3.836 0.270 1
1 16 . 2 1 1 A 8 8 ILE C C 8 176.213 176.415 -0.202 1
1 17 . 2 1 1 A 8 8 ILE CA C 8 61.378 62.242 -0.864 1
1 18 . 2 1 1 A 8 8 ILE CB C 8 38.603 36.828 1.775 1
1 22 . 2 1 1 A 8 8 ILE N N 8 119.652 123.219 -3.567 1
1 23 . 2 1 1 A 9 9 HIS H H 9 8.409 7.999 0.410 1
1 24 . 2 1 1 A 9 9 HIS C C 9 175.436 174.660 0.776 1
1 25 . 2 1 1 A 9 9 HIS CA C 9 56.065 59.729 -3.664 1
1 26 . 2 1 1 A 9 9 HIS CB C 9 30.677 30.695 -0.018 1
1 27 . 2 1 1 A 9 9 HIS N N 9 123.607 122.703 0.904 1
1 28 . 2 1 1 A 10 10 SER HA H 10 4.484 4.733 -0.249 1
1 31 . 2 1 1 A 10 10 SER C C 10 174.981 173.066 1.915 1
1 32 . 2 1 1 A 10 10 SER CA C 10 58.621 57.147 1.474 1
1 33 . 2 1 1 A 10 10 SER CB C 10 63.732 65.924 -2.192 1
1 34 . 2 1 1 A 11 11 GLY H H 11 8.447 8.572 -0.125 1
1 35 . 2 1 1 A 11 11 GLY HA2 H 11 3.936 4.210 -0.274 1
1 36 . 2 1 1 A 11 11 GLY HA3 H 11 3.936 4.218 -0.282 1
1 37 . 2 1 1 A 11 11 GLY C C 11 174.112 174.657 -0.545 1
1 38 . 2 1 1 A 11 11 GLY CA C 11 45.292 44.739 0.553 1
1 39 . 2 1 1 A 11 11 GLY N N 11 110.887 108.743 2.144 1
1 40 . 2 1 1 A 12 12 GLU H H 12 8.200 8.790 -0.590 1
1 41 . 2 1 1 A 12 12 GLU HA H 12 4.174 4.575 -0.401 1
1 46 . 2 1 1 A 12 12 GLU C C 12 176.545 176.459 0.086 1
1 47 . 2 1 1 A 12 12 GLU CA C 12 56.962 57.262 -0.300 1
1 48 . 2 1 1 A 12 12 GLU CB C 12 30.388 31.762 -1.374 1
1 50 . 2 1 1 A 12 12 GLU N N 12 120.059 120.061 -0.002 1
1 51 . 2 1 1 A 13 13 LYS H H 13 8.280 7.865 0.415 1
1 52 . 2 1 1 A 13 13 LYS HA H 13 4.434 4.753 -0.319 1
1 61 . 2 1 1 A 13 13 LYS C C 13 173.760 174.918 -1.158 1
1 62 . 2 1 1 A 13 13 LYS CA C 13 53.742 53.689 0.053 1
1 63 . 2 1 1 A 13 13 LYS CB C 13 33.067 32.960 0.107 1
1 67 . 2 1 1 A 13 13 LYS N N 13 121.235 119.744 1.491 1
1 68 . 2 1 1 A 14 14 PRO HA H 14 4.268 4.554 -0.286 1
1 75 . 2 1 1 A 14 14 PRO C C 14 176.391 175.979 0.412 1
1 76 . 2 1 1 A 14 14 PRO CA C 14 63.473 64.443 -0.970 1
1 77 . 2 1 1 A 14 14 PRO CB C 14 32.243 31.729 0.514 1
1 80 . 2 1 1 A 15 15 TYR H H 15 7.898 7.667 0.231 1
1 81 . 2 1 1 A 15 15 TYR HA H 15 4.609 5.032 -0.423 1
1 88 . 2 1 1 A 15 15 TYR C C 15 175.259 175.772 -0.513 1
1 89 . 2 1 1 A 15 15 TYR CA C 15 57.252 56.462 0.790 1
1 90 . 2 1 1 A 15 15 TYR CB C 15 37.800 41.187 -3.387 1
1 95 . 2 1 1 A 15 15 TYR N N 15 118.120 118.772 -0.652 1
1 96 . 2 1 1 A 16 16 GLY H H 16 8.420 8.712 -0.292 1
1 97 . 2 1 1 A 16 16 GLY HA2 H 16 4.634 4.467 0.167 1
1 98 . 2 1 1 A 16 16 GLY HA3 H 16 3.568 4.517 -0.949 1
1 99 . 2 1 1 A 16 16 GLY C C 16 172.667 172.368 0.299 1
1 100 . 2 1 1 A 16 16 GLY CA C 16 44.599 45.098 -0.499 1
1 101 . 2 1 1 A 16 16 GLY N N 16 111.924 109.533 2.391 1
1 102 . 2 1 1 A 17 17 CYS H H 17 9.142 8.970 0.172 1
1 103 . 2 1 1 A 17 17 CYS HA H 17 4.712 5.023 -0.311 1
1 106 . 2 1 1 A 17 17 CYS C C 17 177.696 174.796 2.900 1
1 107 . 2 1 1 A 17 17 CYS CA C 17 58.694 58.142 0.552 1
1 108 . 2 1 1 A 17 17 CYS CB C 17 29.770 29.643 0.127 1
1 109 . 2 1 1 A 17 17 CYS N N 17 125.008 118.251 6.757 1
1 110 . 2 1 1 A 18 18 VAL H H 18 9.089 8.621 0.468 1
1 111 . 2 1 1 A 18 18 VAL HA H 18 4.003 4.176 -0.173 1
1 119 . 2 1 1 A 18 18 VAL C C 18 176.506 177.669 -1.163 1
1 120 . 2 1 1 A 18 18 VAL CA C 18 64.407 63.769 0.638 1
1 121 . 2 1 1 A 18 18 VAL CB C 18 31.744 33.550 -1.806 1
1 124 . 2 1 1 A 18 18 VAL N N 18 129.598 124.422 5.176 1
1 125 . 2 1 1 A 19 19 GLU H H 19 8.413 7.880 0.533 1
1 126 . 2 1 1 A 19 19 GLU HA H 19 4.187 3.886 0.301 1
1 131 . 2 1 1 A 19 19 GLU C C 19 177.385 177.697 -0.312 1
1 132 . 2 1 1 A 19 19 GLU CA C 19 58.535 59.587 -1.052 1
1 133 . 2 1 1 A 19 19 GLU CB C 19 29.358 28.915 0.443 1
1 135 . 2 1 1 A 19 19 GLU N N 19 121.264 121.990 -0.726 1
1 136 . 2 1 1 A 20 20 CYS H H 20 7.854 7.370 0.484 1
1 137 . 2 1 1 A 20 20 CYS HA H 20 5.142 4.762 0.380 1
1 140 . 2 1 1 A 20 20 CYS C C 20 176.237 175.784 0.453 1
1 141 . 2 1 1 A 20 20 CYS CA C 20 58.341 59.457 -1.116 1
1 142 . 2 1 1 A 20 20 CYS CB C 20 32.531 30.170 2.361 1
1 143 . 2 1 1 A 20 20 CYS N N 20 113.736 114.575 -0.839 1
1 144 . 2 1 1 A 21 21 GLY H H 21 8.281 8.330 -0.049 1
1 145 . 2 1 1 A 21 21 GLY HA2 H 21 4.216 4.053 0.163 1
1 146 . 2 1 1 A 21 21 GLY HA3 H 21 3.784 4.063 -0.279 1
1 147 . 2 1 1 A 21 21 GLY C C 21 174.288 174.266 0.022 1
1 148 . 2 1 1 A 21 21 GLY CA C 21 46.159 45.337 0.822 1
1 149 . 2 1 1 A 21 21 GLY N N 21 113.574 110.254 3.320 1
1 150 . 2 1 1 A 22 22 LYS H H 22 7.891 7.838 0.053 1
1 151 . 2 1 1 A 22 22 LYS HA H 22 3.989 4.212 -0.223 1
1 160 . 2 1 1 A 22 22 LYS C C 22 173.452 175.262 -1.810 1
1 161 . 2 1 1 A 22 22 LYS CA C 22 57.789 55.203 2.586 1
1 162 . 2 1 1 A 22 22 LYS CB C 22 34.125 32.931 1.194 1
1 166 . 2 1 1 A 22 22 LYS N N 22 122.877 119.615 3.262 1
1 167 . 2 1 1 A 23 23 ALA H H 23 7.645 8.664 -1.019 1
1 168 . 2 1 1 A 23 23 ALA HA H 23 4.925 5.427 -0.502 1
1 172 . 2 1 1 A 23 23 ALA C C 23 175.868 176.024 -0.156 1
1 173 . 2 1 1 A 23 23 ALA CA C 23 50.523 50.109 0.414 1
1 174 . 2 1 1 A 23 23 ALA CB C 23 22.145 21.082 1.063 1
1 175 . 2 1 1 A 23 23 ALA N N 23 122.280 127.151 -4.871 1
1 176 . 2 1 1 A 24 24 PHE H H 24 8.337 9.082 -0.745 1
1 177 . 2 1 1 A 24 24 PHE HA H 24 4.890 4.967 -0.077 1
1 185 . 2 1 1 A 24 24 PHE C C 24 175.994 175.953 0.041 1
1 186 . 2 1 1 A 24 24 PHE CA C 24 56.926 56.592 0.334 1
1 187 . 2 1 1 A 24 24 PHE CB C 24 43.626 41.643 1.983 1
1 193 . 2 1 1 A 24 24 PHE N N 24 116.352 119.653 -3.301 1
1 194 . 2 1 1 A 25 25 SER H H 25 9.344 8.928 0.416 1
1 195 . 2 1 1 A 25 25 SER HA H 25 4.612 4.310 0.302 1
1 198 . 2 1 1 A 25 25 SER C C 25 174.148 173.727 0.421 1
1 199 . 2 1 1 A 25 25 SER CA C 25 60.554 61.115 -0.561 1
1 200 . 2 1 1 A 25 25 SER CB C 25 64.329 62.913 1.416 1
1 201 . 2 1 1 A 25 25 SER N N 25 115.148 119.520 -4.372 1
1 202 . 2 1 1 A 26 26 ARG H H 26 7.040 7.976 -0.936 1
1 203 . 2 1 1 A 26 26 ARG HA H 26 4.719 4.587 0.132 1
1 210 . 2 1 1 A 26 26 ARG C C 26 176.116 176.011 0.105 1
1 211 . 2 1 1 A 26 26 ARG CA C 26 54.417 54.429 -0.012 1
1 212 . 2 1 1 A 26 26 ARG CB C 26 34.587 33.111 1.476 1
1 215 . 2 1 1 A 26 26 ARG N N 26 115.877 119.251 -3.374 1
1 216 . 2 1 1 A 27 27 SER H H 27 8.441 8.715 -0.274 1
1 217 . 2 1 1 A 27 27 SER HA H 27 3.278 3.740 -0.462 1
1 220 . 2 1 1 A 27 27 SER CA C 27 61.160 60.914 0.246 1
1 221 . 2 1 1 A 27 27 SER CB C 27 61.910 62.145 -0.235 1
1 222 . 2 1 1 A 27 27 SER N N 27 120.683 118.694 1.989 1
1 223 . 2 1 1 A 28 28 SER HA H 28 3.969 4.068 -0.099 1
1 226 . 2 1 1 A 28 28 SER C C 28 176.640 176.126 0.514 1
1 227 . 2 1 1 A 28 28 SER CA C 28 61.029 62.284 -1.255 1
1 228 . 2 1 1 A 28 28 SER CB C 28 61.506 62.898 -1.392 1
1 229 . 2 1 1 A 29 29 ILE H H 29 6.628 7.780 -1.152 1
1 230 . 2 1 1 A 29 29 ILE HA H 29 3.725 3.610 0.115 1
1 240 . 2 1 1 A 29 29 ILE C C 29 178.108 177.479 0.629 1
1 241 . 2 1 1 A 29 29 ILE CA C 29 63.470 64.456 -0.986 1
1 242 . 2 1 1 A 29 29 ILE CB C 29 38.013 37.422 0.591 1
1 246 . 2 1 1 A 29 29 ILE N N 29 122.549 121.326 1.223 1
1 247 . 2 1 1 A 30 30 LEU H H 30 7.003 8.008 -1.005 1
1 248 . 2 1 1 A 30 30 LEU HA H 30 3.511 3.099 0.412 1
1 258 . 2 1 1 A 30 30 LEU C C 30 177.880 178.627 -0.747 1
1 259 . 2 1 1 A 30 30 LEU CA C 30 58.394 57.903 0.491 1
1 260 . 2 1 1 A 30 30 LEU CB C 30 40.239 42.062 -1.823 1
1 264 . 2 1 1 A 30 30 LEU N N 30 122.518 122.061 0.457 1
1 265 . 2 1 1 A 31 31 VAL H H 31 8.203 7.985 0.218 1
1 266 . 2 1 1 A 31 31 VAL HA H 31 3.709 3.472 0.237 1
1 274 . 2 1 1 A 31 31 VAL C C 31 179.070 177.375 1.695 1
1 275 . 2 1 1 A 31 31 VAL CA C 31 66.618 66.909 -0.291 1
1 276 . 2 1 1 A 31 31 VAL CB C 31 31.624 31.373 0.251 1
1 279 . 2 1 1 A 31 31 VAL N N 31 118.600 119.631 -1.031 1
1 280 . 2 1 1 A 32 32 GLN H H 32 7.323 7.630 -0.307 1
1 281 . 2 1 1 A 32 32 GLN HA H 32 3.927 4.024 -0.097 1
1 288 . 2 1 1 A 32 32 GLN C C 32 178.751 177.319 1.432 1
1 289 . 2 1 1 A 32 32 GLN CA C 32 58.772 58.527 0.245 1
1 290 . 2 1 1 A 32 32 GLN CB C 32 28.368 28.785 -0.417 1
1 292 . 2 1 1 A 32 32 GLN N N 32 118.113 118.397 -0.284 1
1 294 . 2 1 1 A 33 33 HIS H H 33 8.046 8.076 -0.030 1
1 295 . 2 1 1 A 33 33 HIS HA H 33 4.148 4.268 -0.120 1
1 300 . 2 1 1 A 33 33 HIS C C 33 176.164 177.180 -1.016 1
1 301 . 2 1 1 A 33 33 HIS CA C 33 59.033 58.010 1.023 1
1 302 . 2 1 1 A 33 33 HIS CB C 33 27.726 30.410 -2.684 1
1 305 . 2 1 1 A 33 33 HIS N N 33 120.097 120.957 -0.860 1
1 306 . 2 1 1 A 34 34 GLN H H 34 8.348 7.699 0.649 1
1 307 . 2 1 1 A 34 34 GLN HA H 34 3.630 4.129 -0.499 1
1 314 . 2 1 1 A 34 34 GLN C C 34 177.457 178.637 -1.180 1
1 315 . 2 1 1 A 34 34 GLN CA C 34 59.367 58.058 1.309 1
1 316 . 2 1 1 A 34 34 GLN CB C 34 28.158 28.750 -0.592 1
1 318 . 2 1 1 A 34 34 GLN N N 34 115.621 117.700 -2.079 1
1 320 . 2 1 1 A 35 35 ARG H H 35 7.167 7.918 -0.751 1
1 321 . 2 1 1 A 35 35 ARG HA H 35 4.094 4.088 0.006 1
1 328 . 2 1 1 A 35 35 ARG C C 35 178.544 178.008 0.536 1
1 329 . 2 1 1 A 35 35 ARG CA C 35 58.553 59.060 -0.507 1
1 330 . 2 1 1 A 35 35 ARG CB C 35 30.016 29.696 0.320 1
1 333 . 2 1 1 A 35 35 ARG N N 35 117.694 119.128 -1.434 1
1 334 . 2 1 1 A 36 36 VAL H H 36 7.878 7.787 0.091 1
1 335 . 2 1 1 A 36 36 VAL HA H 36 3.885 3.751 0.134 1
1 343 . 2 1 1 A 36 36 VAL C C 36 177.246 177.783 -0.537 1
1 344 . 2 1 1 A 36 36 VAL CA C 36 63.924 65.612 -1.688 1
1 345 . 2 1 1 A 36 36 VAL CB C 36 31.137 31.333 -0.196 1
1 348 . 2 1 1 A 36 36 VAL N N 36 116.056 115.371 0.685 1
1 349 . 2 1 1 A 37 37 HIS H H 37 7.151 7.955 -0.804 1
1 350 . 2 1 1 A 37 37 HIS HA H 37 4.877 4.237 0.640 1
1 355 . 2 1 1 A 37 37 HIS C C 37 175.769 176.120 -0.351 1
1 356 . 2 1 1 A 37 37 HIS CA C 37 55.034 58.830 -3.796 1
1 357 . 2 1 1 A 37 37 HIS CB C 37 28.415 29.875 -1.460 1
1 360 . 2 1 1 A 37 37 HIS N N 37 117.486 119.758 -2.272 1
1 361 . 2 1 1 A 38 38 THR H H 38 7.769 7.738 0.031 1
1 362 . 2 1 1 A 38 38 THR HA H 38 4.288 3.937 0.351 1
1 367 . 2 1 1 A 38 38 THR C C 38 175.391 175.259 0.132 1
1 368 . 2 1 1 A 38 38 THR CA C 38 62.697 63.446 -0.749 1
1 369 . 2 1 1 A 38 38 THR CB C 38 69.738 69.128 0.610 1
1 371 . 2 1 1 A 38 38 THR N N 38 112.779 113.871 -1.092 1
1 372 . 2 1 1 A 39 39 GLY H H 39 8.251 8.512 -0.261 1
1 373 . 2 1 1 A 39 39 GLY HA2 H 39 3.994 3.910 0.084 1
1 374 . 2 1 1 A 39 39 GLY HA3 H 39 3.920 3.923 -0.003 1
1 375 . 2 1 1 A 39 39 GLY C C 39 174.076 175.640 -1.564 1
1 376 . 2 1 1 A 39 39 GLY CA C 39 45.288 45.466 -0.178 1
1 377 . 2 1 1 A 39 39 GLY N N 39 110.331 115.948 -5.617 1
1 378 . 2 1 1 A 40 40 GLU H H 40 8.076 8.420 -0.344 1
1 379 . 2 1 1 A 40 40 GLU HA H 40 4.139 4.220 -0.081 1
1 384 . 2 1 1 A 40 40 GLU C C 40 176.602 177.301 -0.699 1
1 385 . 2 1 1 A 40 40 GLU CA C 40 56.915 58.620 -1.705 1
1 386 . 2 1 1 A 40 40 GLU CB C 40 30.414 30.421 -0.007 1
1 388 . 2 1 1 A 40 40 GLU N N 40 120.155 120.112 0.043 1
1 389 . 2 1 1 A 41 41 LYS H H 41 8.274 7.703 0.571 1
1 390 . 2 1 1 A 41 41 LYS HA H 41 4.496 4.724 -0.228 1
1 399 . 2 1 1 A 41 41 LYS C C 41 173.906 174.955 -1.049 1
1 400 . 2 1 1 A 41 41 LYS CA C 41 53.865 54.034 -0.169 1
1 401 . 2 1 1 A 41 41 LYS CB C 41 33.372 32.525 0.847 1
1 405 . 2 1 1 A 41 41 LYS N N 41 121.689 118.415 3.274 1
1 406 . 2 1 1 A 42 42 PRO HA H 42 4.253 4.341 -0.088 1
1 413 . 2 1 1 A 42 42 PRO C C 42 176.660 175.916 0.744 1
1 414 . 2 1 1 A 42 42 PRO CA C 42 63.718 64.891 -1.173 1
1 415 . 2 1 1 A 42 42 PRO CB C 42 32.320 31.653 0.667 1
1 418 . 2 1 1 A 43 43 TYR H H 43 7.693 7.344 0.349 1
1 419 . 2 1 1 A 43 43 TYR HA H 43 4.600 4.652 -0.052 1
1 426 . 2 1 1 A 43 43 TYR C C 43 174.460 175.115 -0.655 1
1 427 . 2 1 1 A 43 43 TYR CA C 43 57.722 58.636 -0.914 1
1 428 . 2 1 1 A 43 43 TYR CB C 43 37.840 38.552 -0.712 1
1 433 . 2 1 1 A 43 43 TYR N N 43 118.327 118.127 0.200 1
1 434 . 2 1 1 A 44 44 LYS H H 44 8.335 8.973 -0.638 1
1 435 . 2 1 1 A 44 44 LYS HA H 44 4.826 5.418 -0.592 1
1 444 . 2 1 1 A 44 44 LYS C C 44 174.679 175.762 -1.083 1
1 445 . 2 1 1 A 44 44 LYS CA C 44 55.423 54.339 1.084 1
1 446 . 2 1 1 A 44 44 LYS CB C 44 35.380 36.052 -0.672 1
1 450 . 2 1 1 A 44 44 LYS N N 44 125.187 125.351 -0.164 1
1 451 . 2 1 1 A 45 45 CYS H H 45 9.250 9.330 -0.080 1
1 452 . 2 1 1 A 45 45 CYS HA H 45 4.536 4.631 -0.095 1
1 455 . 2 1 1 A 45 45 CYS C C 45 177.400 174.859 2.541 1
1 456 . 2 1 1 A 45 45 CYS CA C 45 59.384 59.127 0.257 1
1 457 . 2 1 1 A 45 45 CYS CB C 45 29.482 29.102 0.380 1
1 458 . 2 1 1 A 45 45 CYS N N 45 126.431 123.998 2.433 1
1 459 . 2 1 1 A 46 46 LEU H H 46 9.297 8.676 0.621 1
1 460 . 2 1 1 A 46 46 LEU HA H 46 4.192 4.418 -0.226 1
1 470 . 2 1 1 A 46 46 LEU C C 46 177.806 178.163 -0.357 1
1 471 . 2 1 1 A 46 46 LEU CA C 46 56.944 54.742 2.202 1
1 472 . 2 1 1 A 46 46 LEU CB C 46 41.269 42.324 -1.055 1
1 476 . 2 1 1 A 46 46 LEU N N 46 132.501 129.944 2.557 1
1 477 . 2 1 1 A 47 47 GLU H H 47 8.568 7.566 1.002 1
1 478 . 2 1 1 A 47 47 GLU HA H 47 4.161 4.076 0.085 1
1 483 . 2 1 1 A 47 47 GLU C C 47 177.358 177.731 -0.373 1
1 484 . 2 1 1 A 47 47 GLU CA C 47 58.545 58.955 -0.410 1
1 485 . 2 1 1 A 47 47 GLU CB C 47 29.500 29.980 -0.480 1
1 487 . 2 1 1 A 47 47 GLU N N 47 120.165 120.010 0.155 1
1 488 . 2 1 1 A 48 48 CYS H H 48 7.979 7.509 0.470 1
1 489 . 2 1 1 A 48 48 CYS HA H 48 5.182 4.587 0.595 1
1 492 . 2 1 1 A 48 48 CYS C C 48 176.224 175.365 0.859 1
1 493 . 2 1 1 A 48 48 CYS CA C 48 58.210 59.456 -1.246 1
1 494 . 2 1 1 A 48 48 CYS CB C 48 32.531 29.845 2.686 1
1 495 . 2 1 1 A 48 48 CYS N N 48 114.531 115.449 -0.918 1
1 496 . 2 1 1 A 49 49 GLY H H 49 8.156 8.074 0.082 1
1 497 . 2 1 1 A 49 49 GLY HA2 H 49 4.273 4.087 0.186 1
1 498 . 2 1 1 A 49 49 GLY HA3 H 49 3.771 4.118 -0.347 1
1 499 . 2 1 1 A 49 49 GLY C C 49 173.907 172.705 1.202 1
1 500 . 2 1 1 A 49 49 GLY CA C 49 46.207 45.005 1.202 1
1 501 . 2 1 1 A 49 49 GLY N N 49 113.613 109.619 3.994 1
1 502 . 2 1 1 A 50 50 LYS H H 50 7.961 8.609 -0.648 1
1 503 . 2 1 1 A 50 50 LYS HA H 50 3.936 4.677 -0.741 1
1 512 . 2 1 1 A 50 50 LYS C C 50 173.571 173.880 -0.309 1
1 513 . 2 1 1 A 50 50 LYS CA C 50 58.199 55.576 2.623 1
1 514 . 2 1 1 A 50 50 LYS CB C 50 33.479 36.408 -2.929 1
1 518 . 2 1 1 A 50 50 LYS N N 50 123.259 125.497 -2.238 1
1 519 . 2 1 1 A 51 51 ALA H H 51 7.740 8.534 -0.794 1
1 520 . 2 1 1 A 51 51 ALA HA H 51 5.179 5.676 -0.497 1
1 524 . 2 1 1 A 51 51 ALA C C 51 175.844 176.727 -0.883 1
1 525 . 2 1 1 A 51 51 ALA CA C 51 50.329 51.061 -0.732 1
1 526 . 2 1 1 A 51 51 ALA CB C 51 22.741 21.004 1.737 1
1 527 . 2 1 1 A 51 51 ALA N N 51 123.792 127.412 -3.620 1
1 528 . 2 1 1 A 52 52 PHE H H 52 8.698 9.121 -0.423 1
1 529 . 2 1 1 A 52 52 PHE HA H 52 4.653 4.939 -0.286 1
1 537 . 2 1 1 A 52 52 PHE C C 52 175.640 175.908 -0.268 1
1 538 . 2 1 1 A 52 52 PHE CA C 52 57.636 56.958 0.678 1
1 539 . 2 1 1 A 52 52 PHE CB C 52 43.314 42.436 0.878 1
1 545 . 2 1 1 A 52 52 PHE N N 52 116.792 118.154 -1.362 1
1 546 . 2 1 1 A 53 53 SER H H 53 9.246 8.848 0.398 1
1 547 . 2 1 1 A 53 53 SER HA H 53 4.627 4.757 -0.130 1
1 550 . 2 1 1 A 53 53 SER C C 53 173.837 173.831 0.006 1
1 551 . 2 1 1 A 53 53 SER CA C 53 60.959 61.289 -0.330 1
1 552 . 2 1 1 A 53 53 SER CB C 53 64.077 63.046 1.031 1
1 553 . 2 1 1 A 53 53 SER N N 53 116.932 119.259 -2.327 1
1 554 . 2 1 1 A 54 54 GLN H H 54 7.873 8.084 -0.211 1
1 555 . 2 1 1 A 54 54 GLN HA H 54 4.774 4.870 -0.096 1
1 562 . 2 1 1 A 54 54 GLN C C 54 176.112 175.610 0.502 1
1 563 . 2 1 1 A 54 54 GLN CA C 54 53.972 54.611 -0.639 1
1 564 . 2 1 1 A 54 54 GLN CB C 54 32.160 31.540 0.620 1
1 566 . 2 1 1 A 54 54 GLN N N 54 116.030 117.649 -1.619 1
1 568 . 2 1 1 A 55 55 ASN H H 55 8.494 8.482 0.012 1
1 569 . 2 1 1 A 55 55 ASN HA H 55 3.540 3.874 -0.334 1
1 574 . 2 1 1 A 55 55 ASN C C 55 177.306 176.915 0.391 1
1 575 . 2 1 1 A 55 55 ASN CA C 55 56.094 56.652 -0.558 1
1 576 . 2 1 1 A 55 55 ASN CB C 55 38.260 38.286 -0.026 1
1 577 . 2 1 1 A 55 55 ASN N N 55 124.248 123.070 1.178 1
1 579 . 2 1 1 A 56 56 SER HA H 56 3.867 4.138 -0.271 1
1 582 . 2 1 1 A 56 56 SER C C 56 176.822 176.852 -0.030 1
1 583 . 2 1 1 A 56 56 SER CA C 56 60.888 62.004 -1.116 1
1 584 . 2 1 1 A 56 56 SER CB C 56 61.588 62.893 -1.305 1
1 585 . 2 1 1 A 57 57 GLY H H 57 7.104 8.274 -1.170 1
1 586 . 2 1 1 A 57 57 GLY HA2 H 57 3.893 3.705 0.188 1
1 587 . 2 1 1 A 57 57 GLY HA3 H 57 3.718 3.742 -0.024 1
1 588 . 2 1 1 A 57 57 GLY C C 57 175.641 175.300 0.341 1
1 589 . 2 1 1 A 57 57 GLY CA C 57 46.508 46.864 -0.356 1
1 590 . 2 1 1 A 57 57 GLY N N 57 109.816 109.465 0.351 1
1 591 . 2 1 1 A 58 58 LEU H H 58 6.781 7.931 -1.150 1
1 592 . 2 1 1 A 58 58 LEU HA H 58 3.288 2.647 0.641 1
1 602 . 2 1 1 A 58 58 LEU C C 58 177.650 177.845 -0.195 1
1 603 . 2 1 1 A 58 58 LEU CA C 58 57.726 56.787 0.939 1
1 604 . 2 1 1 A 58 58 LEU CB C 58 40.656 41.362 -0.706 1
1 608 . 2 1 1 A 58 58 LEU N N 58 124.058 122.171 1.887 1
1 609 . 2 1 1 A 59 59 ILE H H 59 8.281 7.834 0.447 1
1 610 . 2 1 1 A 59 59 ILE HA H 59 3.686 3.483 0.203 1
1 620 . 2 1 1 A 59 59 ILE C C 59 179.220 177.929 1.291 1
1 621 . 2 1 1 A 59 59 ILE CA C 59 64.389 65.219 -0.830 1
1 622 . 2 1 1 A 59 59 ILE CB C 59 37.545 37.608 -0.063 1
1 626 . 2 1 1 A 59 59 ILE N N 59 119.575 119.805 -0.230 1
1 627 . 2 1 1 A 60 60 ASN H H 60 7.677 8.139 -0.462 1
1 628 . 2 1 1 A 60 60 ASN HA H 60 4.326 4.428 -0.102 1
1 633 . 2 1 1 A 60 60 ASN C C 60 177.688 177.163 0.525 1
1 634 . 2 1 1 A 60 60 ASN CA C 60 56.183 56.079 0.104 1
1 635 . 2 1 1 A 60 60 ASN CB C 60 38.549 39.045 -0.496 1
1 636 . 2 1 1 A 60 60 ASN N N 60 116.791 118.824 -2.033 1
1 638 . 2 1 1 A 61 61 HIS H H 61 7.526 7.695 -0.169 1
1 639 . 2 1 1 A 61 61 HIS HA H 61 4.172 4.208 -0.036 1
1 643 . 2 1 1 A 61 61 HIS C C 61 176.063 176.359 -0.296 1
1 644 . 2 1 1 A 61 61 HIS CA C 61 58.924 57.727 1.197 1
1 645 . 2 1 1 A 61 61 HIS CB C 61 29.110 30.342 -1.232 1
1 647 . 2 1 1 A 61 61 HIS N N 61 119.310 118.626 0.684 1
1 648 . 2 1 1 A 62 62 GLN H H 62 8.345 7.891 0.454 1
1 649 . 2 1 1 A 62 62 GLN HA H 62 3.631 4.202 -0.571 1
1 656 . 2 1 1 A 62 62 GLN C C 62 177.302 178.246 -0.944 1
1 657 . 2 1 1 A 62 62 GLN CA C 62 59.260 56.304 2.956 1
1 658 . 2 1 1 A 62 62 GLN CB C 62 28.161 29.223 -1.062 1
1 660 . 2 1 1 A 62 62 GLN N N 62 115.573 117.603 -2.030 1
1 662 . 2 1 1 A 63 63 ARG H H 63 7.029 7.753 -0.724 1
1 663 . 2 1 1 A 63 63 ARG HA H 63 4.091 4.039 0.052 1
1 670 . 2 1 1 A 63 63 ARG C C 63 178.257 178.068 0.189 1
1 671 . 2 1 1 A 63 63 ARG CA C 63 58.505 58.438 0.067 1
1 672 . 2 1 1 A 63 63 ARG CB C 63 30.046 29.659 0.387 1
1 675 . 2 1 1 A 63 63 ARG N N 63 117.521 119.077 -1.556 1
1 676 . 2 1 1 A 64 64 ILE H H 64 7.763 7.384 0.379 1
1 677 . 2 1 1 A 64 64 ILE HA H 64 3.988 3.717 0.271 1
1 687 . 2 1 1 A 64 64 ILE C C 64 177.138 177.841 -0.703 1
1 688 . 2 1 1 A 64 64 ILE CA C 64 62.780 64.136 -1.356 1
1 689 . 2 1 1 A 64 64 ILE CB C 64 37.760 37.463 0.297 1
1 693 . 2 1 1 A 64 64 ILE N N 64 115.601 116.362 -0.761 1
1 694 . 2 1 1 A 65 65 HIS H H 65 7.261 7.256 0.005 1
1 695 . 2 1 1 A 65 65 HIS HA H 65 4.867 4.335 0.532 1
1 700 . 2 1 1 A 65 65 HIS C C 65 175.314 175.697 -0.383 1
1 701 . 2 1 1 A 65 65 HIS CA C 65 54.927 59.709 -4.782 1
1 702 . 2 1 1 A 65 65 HIS CB C 65 28.723 29.868 -1.145 1
1 705 . 2 1 1 A 65 65 HIS N N 65 118.018 120.330 -2.312 1
1 706 . 2 1 1 A 66 66 THR H H 66 7.717 7.066 0.651 1
1 707 . 2 1 1 A 66 66 THR HA H 66 4.433 4.294 0.139 1
1 712 . 2 1 1 A 66 66 THR C C 66 174.569 174.231 0.338 1
1 713 . 2 1 1 A 66 66 THR CA C 66 61.984 62.525 -0.541 1
1 714 . 2 1 1 A 66 66 THR CB C 66 69.832 69.188 0.644 1
1 716 . 2 1 1 A 66 66 THR N N 66 112.598 111.523 1.075 1
1 717 . 2 1 1 A 67 67 SER H H 67 8.272 8.533 -0.261 1
1 718 . 2 1 1 A 67 67 SER HA H 67 4.540 4.251 0.289 1
1 721 . 2 1 1 A 67 67 SER C C 67 174.531 174.304 0.227 1
1 722 . 2 1 1 A 67 67 SER CA C 67 58.517 59.175 -0.658 1
1 723 . 2 1 1 A 67 67 SER CB C 67 64.041 63.258 0.783 1
1 724 . 2 1 1 A 67 67 SER N N 67 117.832 120.470 -2.638 1
1 725 . 2 1 1 A 68 68 GLY H H 68 8.223 8.460 -0.237 1
1 726 . 2 1 1 A 68 68 GLY HA2 H 68 4.153 4.461 -0.308 1
1 727 . 2 1 1 A 68 68 GLY HA3 H 68 4.101 4.464 -0.363 1
1 728 . 2 1 1 A 68 68 GLY C C 68 171.817 173.376 -1.559 1
1 729 . 2 1 1 A 68 68 GLY CA C 68 44.704 45.313 -0.609 1
1 730 . 2 1 1 A 68 68 GLY N N 68 110.671 113.088 -2.417 1
1 731 . 2 1 1 A 69 69 PRO HA H 69 4.469 4.482 -0.013 1
1 738 . 2 1 1 A 69 69 PRO CA C 69 63.244 64.103 -0.859 1
1 739 . 2 1 1 A 69 69 PRO CB C 69 32.208 31.920 0.288 1
1 1 . 3 1 1 A 7 7 GLY HA2 H 7 3.957 4.190 -0.233 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.957 4.242 -0.285 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.124 172.485 1.639 1
1 4 . 3 1 1 A 7 7 GLY CA C 7 45.359 45.429 -0.070 1
1 5 . 3 1 1 A 8 8 ILE H H 8 7.939 8.826 -0.887 1
1 6 . 3 1 1 A 8 8 ILE HA H 8 4.106 4.746 -0.640 1
1 16 . 3 1 1 A 8 8 ILE C C 8 176.213 174.466 1.747 1
1 17 . 3 1 1 A 8 8 ILE CA C 8 61.378 60.261 1.117 1
1 18 . 3 1 1 A 8 8 ILE CB C 8 38.603 38.897 -0.294 1
1 22 . 3 1 1 A 8 8 ILE N N 8 119.652 126.548 -6.896 1
1 23 . 3 1 1 A 9 9 HIS H H 9 8.409 8.904 -0.495 1
1 24 . 3 1 1 A 9 9 HIS C C 9 175.436 175.141 0.295 1
1 25 . 3 1 1 A 9 9 HIS CA C 9 56.065 54.397 1.668 1
1 26 . 3 1 1 A 9 9 HIS CB C 9 30.677 30.227 0.450 1
1 27 . 3 1 1 A 9 9 HIS N N 9 123.607 127.081 -3.474 1
1 28 . 3 1 1 A 10 10 SER HA H 10 4.484 4.897 -0.413 1
1 31 . 3 1 1 A 10 10 SER C C 10 174.981 174.271 0.710 1
1 32 . 3 1 1 A 10 10 SER CA C 10 58.621 57.614 1.007 1
1 33 . 3 1 1 A 10 10 SER CB C 10 63.732 65.196 -1.464 1
1 34 . 3 1 1 A 11 11 GLY H H 11 8.447 8.392 0.055 1
1 35 . 3 1 1 A 11 11 GLY HA2 H 11 3.936 4.246 -0.310 1
1 36 . 3 1 1 A 11 11 GLY HA3 H 11 3.936 4.246 -0.310 1
1 37 . 3 1 1 A 11 11 GLY C C 11 174.112 172.824 1.288 1
1 38 . 3 1 1 A 11 11 GLY CA C 11 45.292 45.781 -0.489 1
1 39 . 3 1 1 A 11 11 GLY N N 11 110.887 107.692 3.195 1
1 40 . 3 1 1 A 12 12 GLU H H 12 8.200 8.062 0.138 1
1 41 . 3 1 1 A 12 12 GLU HA H 12 4.174 4.818 -0.644 1
1 46 . 3 1 1 A 12 12 GLU C C 12 176.545 175.109 1.436 1
1 47 . 3 1 1 A 12 12 GLU CA C 12 56.962 54.585 2.377 1
1 48 . 3 1 1 A 12 12 GLU CB C 12 30.388 30.952 -0.564 1
1 50 . 3 1 1 A 12 12 GLU N N 12 120.059 117.942 2.117 1
1 51 . 3 1 1 A 13 13 LYS H H 13 8.280 8.417 -0.137 1
1 52 . 3 1 1 A 13 13 LYS HA H 13 4.434 5.055 -0.621 1
1 61 . 3 1 1 A 13 13 LYS C C 13 173.760 175.417 -1.657 1
1 62 . 3 1 1 A 13 13 LYS CA C 13 53.742 52.990 0.752 1
1 63 . 3 1 1 A 13 13 LYS CB C 13 33.067 33.768 -0.701 1
1 67 . 3 1 1 A 13 13 LYS N N 13 121.235 119.353 1.882 1
1 68 . 3 1 1 A 14 14 PRO HA H 14 4.268 4.531 -0.263 1
1 75 . 3 1 1 A 14 14 PRO C C 14 176.391 175.847 0.544 1
1 76 . 3 1 1 A 14 14 PRO CA C 14 63.473 64.161 -0.688 1
1 77 . 3 1 1 A 14 14 PRO CB C 14 32.243 31.702 0.541 1
1 80 . 3 1 1 A 15 15 TYR H H 15 7.898 7.588 0.310 1
1 81 . 3 1 1 A 15 15 TYR HA H 15 4.609 5.107 -0.498 1
1 88 . 3 1 1 A 15 15 TYR C C 15 175.259 175.473 -0.214 1
1 89 . 3 1 1 A 15 15 TYR CA C 15 57.252 56.492 0.760 1
1 90 . 3 1 1 A 15 15 TYR CB C 15 37.800 41.186 -3.386 1
1 95 . 3 1 1 A 15 15 TYR N N 15 118.120 119.025 -0.905 1
1 96 . 3 1 1 A 16 16 GLY H H 16 8.420 8.912 -0.492 1
1 97 . 3 1 1 A 16 16 GLY HA2 H 16 4.634 4.460 0.174 1
1 98 . 3 1 1 A 16 16 GLY HA3 H 16 3.568 4.480 -0.912 1
1 99 . 3 1 1 A 16 16 GLY C C 16 172.667 172.561 0.106 1
1 100 . 3 1 1 A 16 16 GLY CA C 16 44.599 44.612 -0.013 1
1 101 . 3 1 1 A 16 16 GLY N N 16 111.924 110.328 1.596 1
1 102 . 3 1 1 A 17 17 CYS H H 17 9.142 9.127 0.015 1
1 103 . 3 1 1 A 17 17 CYS HA H 17 4.712 4.861 -0.149 1
1 106 . 3 1 1 A 17 17 CYS C C 17 177.696 174.725 2.971 1
1 107 . 3 1 1 A 17 17 CYS CA C 17 58.694 58.571 0.123 1
1 108 . 3 1 1 A 17 17 CYS CB C 17 29.770 29.019 0.751 1
1 109 . 3 1 1 A 17 17 CYS N N 17 125.008 120.034 4.974 1
1 110 . 3 1 1 A 18 18 VAL H H 18 9.089 8.648 0.441 1
1 111 . 3 1 1 A 18 18 VAL HA H 18 4.003 4.183 -0.180 1
1 119 . 3 1 1 A 18 18 VAL C C 18 176.506 177.727 -1.221 1
1 120 . 3 1 1 A 18 18 VAL CA C 18 64.407 63.946 0.461 1
1 121 . 3 1 1 A 18 18 VAL CB C 18 31.744 33.343 -1.599 1
1 124 . 3 1 1 A 18 18 VAL N N 18 129.598 124.464 5.134 1
1 125 . 3 1 1 A 19 19 GLU H H 19 8.413 7.914 0.499 1
1 126 . 3 1 1 A 19 19 GLU HA H 19 4.187 3.893 0.294 1
1 131 . 3 1 1 A 19 19 GLU C C 19 177.385 177.776 -0.391 1
1 132 . 3 1 1 A 19 19 GLU CA C 19 58.535 59.526 -0.991 1
1 133 . 3 1 1 A 19 19 GLU CB C 19 29.358 29.098 0.260 1
1 135 . 3 1 1 A 19 19 GLU N N 19 121.264 122.034 -0.770 1
1 136 . 3 1 1 A 20 20 CYS H H 20 7.854 7.873 -0.019 1
1 137 . 3 1 1 A 20 20 CYS HA H 20 5.142 4.802 0.340 1
1 140 . 3 1 1 A 20 20 CYS C C 20 176.237 175.854 0.383 1
1 141 . 3 1 1 A 20 20 CYS CA C 20 58.341 59.484 -1.143 1
1 142 . 3 1 1 A 20 20 CYS CB C 20 32.531 30.136 2.395 1
1 143 . 3 1 1 A 20 20 CYS N N 20 113.736 114.403 -0.667 1
1 144 . 3 1 1 A 21 21 GLY H H 21 8.281 8.153 0.128 1
1 145 . 3 1 1 A 21 21 GLY HA2 H 21 4.216 4.096 0.120 1
1 146 . 3 1 1 A 21 21 GLY HA3 H 21 3.784 4.105 -0.321 1
1 147 . 3 1 1 A 21 21 GLY C C 21 174.288 174.516 -0.228 1
1 148 . 3 1 1 A 21 21 GLY CA C 21 46.159 44.945 1.214 1
1 149 . 3 1 1 A 21 21 GLY N N 21 113.574 109.845 3.729 1
1 150 . 3 1 1 A 22 22 LYS H H 22 7.891 7.289 0.602 1
1 151 . 3 1 1 A 22 22 LYS HA H 22 3.989 4.111 -0.122 1
1 160 . 3 1 1 A 22 22 LYS C C 22 173.452 175.167 -1.715 1
1 161 . 3 1 1 A 22 22 LYS CA C 22 57.789 56.676 1.113 1
1 162 . 3 1 1 A 22 22 LYS CB C 22 34.125 32.797 1.328 1
1 166 . 3 1 1 A 22 22 LYS N N 22 122.877 120.125 2.752 1
1 167 . 3 1 1 A 23 23 ALA H H 23 7.645 8.362 -0.717 1
1 168 . 3 1 1 A 23 23 ALA HA H 23 4.925 5.554 -0.629 1
1 172 . 3 1 1 A 23 23 ALA C C 23 175.868 175.639 0.229 1
1 173 . 3 1 1 A 23 23 ALA CA C 23 50.523 50.000 0.523 1
1 174 . 3 1 1 A 23 23 ALA CB C 23 22.145 21.227 0.918 1
1 175 . 3 1 1 A 23 23 ALA N N 23 122.280 127.200 -4.920 1
1 176 . 3 1 1 A 24 24 PHE H H 24 8.337 8.677 -0.340 1
1 177 . 3 1 1 A 24 24 PHE HA H 24 4.890 4.962 -0.072 1
1 185 . 3 1 1 A 24 24 PHE C C 24 175.994 175.972 0.022 1
1 186 . 3 1 1 A 24 24 PHE CA C 24 56.926 56.602 0.324 1
1 187 . 3 1 1 A 24 24 PHE CB C 24 43.626 41.215 2.411 1
1 193 . 3 1 1 A 24 24 PHE N N 24 116.352 119.662 -3.310 1
1 194 . 3 1 1 A 25 25 SER H H 25 9.344 8.907 0.437 1
1 195 . 3 1 1 A 25 25 SER HA H 25 4.612 4.289 0.323 1
1 198 . 3 1 1 A 25 25 SER C C 25 174.148 173.869 0.279 1
1 199 . 3 1 1 A 25 25 SER CA C 25 60.554 61.002 -0.448 1
1 200 . 3 1 1 A 25 25 SER CB C 25 64.329 62.871 1.458 1
1 201 . 3 1 1 A 25 25 SER N N 25 115.148 120.138 -4.990 1
1 202 . 3 1 1 A 26 26 ARG H H 26 7.040 7.811 -0.771 1
1 203 . 3 1 1 A 26 26 ARG HA H 26 4.719 4.659 0.060 1
1 210 . 3 1 1 A 26 26 ARG C C 26 176.116 175.849 0.267 1
1 211 . 3 1 1 A 26 26 ARG CA C 26 54.417 54.204 0.213 1
1 212 . 3 1 1 A 26 26 ARG CB C 26 34.587 33.065 1.522 1
1 215 . 3 1 1 A 26 26 ARG N N 26 115.877 119.686 -3.809 1
1 216 . 3 1 1 A 27 27 SER H H 27 8.441 8.738 -0.297 1
1 217 . 3 1 1 A 27 27 SER HA H 27 3.278 3.577 -0.299 1
1 220 . 3 1 1 A 27 27 SER CA C 27 61.160 60.901 0.259 1
1 221 . 3 1 1 A 27 27 SER CB C 27 61.910 62.230 -0.320 1
1 222 . 3 1 1 A 27 27 SER N N 27 120.683 118.714 1.969 1
1 223 . 3 1 1 A 28 28 SER HA H 28 3.969 4.182 -0.213 1
1 226 . 3 1 1 A 28 28 SER C C 28 176.640 177.118 -0.478 1
1 227 . 3 1 1 A 28 28 SER CA C 28 61.029 61.648 -0.619 1
1 228 . 3 1 1 A 28 28 SER CB C 28 61.506 62.425 -0.919 1
1 229 . 3 1 1 A 29 29 ILE H H 29 6.628 7.823 -1.195 1
1 230 . 3 1 1 A 29 29 ILE HA H 29 3.725 3.537 0.188 1
1 240 . 3 1 1 A 29 29 ILE C C 29 178.108 178.091 0.017 1
1 241 . 3 1 1 A 29 29 ILE CA C 29 63.470 64.281 -0.811 1
1 242 . 3 1 1 A 29 29 ILE CB C 29 38.013 37.184 0.829 1
1 246 . 3 1 1 A 29 29 ILE N N 29 122.549 122.630 -0.081 1
1 247 . 3 1 1 A 30 30 LEU H H 30 7.003 7.937 -0.934 1
1 248 . 3 1 1 A 30 30 LEU HA H 30 3.511 3.662 -0.151 1
1 258 . 3 1 1 A 30 30 LEU C C 30 177.880 178.728 -0.848 1
1 259 . 3 1 1 A 30 30 LEU CA C 30 58.394 57.953 0.441 1
1 260 . 3 1 1 A 30 30 LEU CB C 30 40.239 41.948 -1.709 1
1 264 . 3 1 1 A 30 30 LEU N N 30 122.518 122.202 0.316 1
1 265 . 3 1 1 A 31 31 VAL H H 31 8.203 8.010 0.193 1
1 266 . 3 1 1 A 31 31 VAL HA H 31 3.709 3.487 0.222 1
1 274 . 3 1 1 A 31 31 VAL C C 31 179.070 177.486 1.584 1
1 275 . 3 1 1 A 31 31 VAL CA C 31 66.618 66.874 -0.256 1
1 276 . 3 1 1 A 31 31 VAL CB C 31 31.624 31.315 0.309 1
1 279 . 3 1 1 A 31 31 VAL N N 31 118.600 119.654 -1.054 1
1 280 . 3 1 1 A 32 32 GLN H H 32 7.323 7.570 -0.247 1
1 281 . 3 1 1 A 32 32 GLN HA H 32 3.927 4.106 -0.179 1
1 288 . 3 1 1 A 32 32 GLN C C 32 178.751 177.211 1.540 1
1 289 . 3 1 1 A 32 32 GLN CA C 32 58.772 58.347 0.425 1
1 290 . 3 1 1 A 32 32 GLN CB C 32 28.368 28.946 -0.578 1
1 292 . 3 1 1 A 32 32 GLN N N 32 118.113 118.690 -0.577 1
1 294 . 3 1 1 A 33 33 HIS H H 33 8.046 7.955 0.091 1
1 295 . 3 1 1 A 33 33 HIS HA H 33 4.148 4.255 -0.107 1
1 300 . 3 1 1 A 33 33 HIS C C 33 176.164 176.708 -0.544 1
1 301 . 3 1 1 A 33 33 HIS CA C 33 59.033 57.912 1.121 1
1 302 . 3 1 1 A 33 33 HIS CB C 33 27.726 30.291 -2.565 1
1 305 . 3 1 1 A 33 33 HIS N N 33 120.097 120.845 -0.748 1
1 306 . 3 1 1 A 34 34 GLN H H 34 8.348 7.613 0.735 1
1 307 . 3 1 1 A 34 34 GLN HA H 34 3.630 4.309 -0.679 1
1 314 . 3 1 1 A 34 34 GLN C C 34 177.457 178.695 -1.238 1
1 315 . 3 1 1 A 34 34 GLN CA C 34 59.367 57.525 1.842 1
1 316 . 3 1 1 A 34 34 GLN CB C 34 28.158 29.554 -1.396 1
1 318 . 3 1 1 A 34 34 GLN N N 34 115.621 117.841 -2.220 1
1 320 . 3 1 1 A 35 35 ARG H H 35 7.167 7.797 -0.630 1
1 321 . 3 1 1 A 35 35 ARG HA H 35 4.094 4.185 -0.091 1
1 328 . 3 1 1 A 35 35 ARG C C 35 178.544 177.631 0.913 1
1 329 . 3 1 1 A 35 35 ARG CA C 35 58.553 58.100 0.453 1
1 330 . 3 1 1 A 35 35 ARG CB C 35 30.016 28.832 1.184 1
1 333 . 3 1 1 A 35 35 ARG N N 35 117.694 119.343 -1.649 1
1 334 . 3 1 1 A 36 36 VAL H H 36 7.878 7.606 0.272 1
1 335 . 3 1 1 A 36 36 VAL HA H 36 3.885 3.713 0.172 1
1 343 . 3 1 1 A 36 36 VAL C C 36 177.246 178.069 -0.823 1
1 344 . 3 1 1 A 36 36 VAL CA C 36 63.924 65.343 -1.419 1
1 345 . 3 1 1 A 36 36 VAL CB C 36 31.137 31.205 -0.068 1
1 348 . 3 1 1 A 36 36 VAL N N 36 116.056 117.636 -1.580 1
1 349 . 3 1 1 A 37 37 HIS H H 37 7.151 7.624 -0.473 1
1 350 . 3 1 1 A 37 37 HIS HA H 37 4.877 4.333 0.544 1
1 355 . 3 1 1 A 37 37 HIS C C 37 175.769 176.112 -0.343 1
1 356 . 3 1 1 A 37 37 HIS CA C 37 55.034 58.871 -3.837 1
1 357 . 3 1 1 A 37 37 HIS CB C 37 28.415 29.571 -1.156 1
1 360 . 3 1 1 A 37 37 HIS N N 37 117.486 120.612 -3.126 1
1 361 . 3 1 1 A 38 38 THR H H 38 7.769 8.087 -0.318 1
1 362 . 3 1 1 A 38 38 THR HA H 38 4.288 4.494 -0.206 1
1 367 . 3 1 1 A 38 38 THR C C 38 175.391 175.354 0.037 1
1 368 . 3 1 1 A 38 38 THR CA C 38 62.697 60.963 1.734 1
1 369 . 3 1 1 A 38 38 THR CB C 38 69.738 69.554 0.184 1
1 371 . 3 1 1 A 38 38 THR N N 38 112.779 111.604 1.175 1
1 372 . 3 1 1 A 39 39 GLY H H 39 8.251 7.384 0.867 1
1 373 . 3 1 1 A 39 39 GLY HA2 H 39 3.994 4.034 -0.040 1
1 374 . 3 1 1 A 39 39 GLY HA3 H 39 3.920 4.045 -0.125 1
1 375 . 3 1 1 A 39 39 GLY C C 39 174.076 173.728 0.348 1
1 376 . 3 1 1 A 39 39 GLY CA C 39 45.288 45.937 -0.649 1
1 377 . 3 1 1 A 39 39 GLY N N 39 110.331 110.307 0.024 1
1 378 . 3 1 1 A 40 40 GLU H H 40 8.076 7.953 0.123 1
1 379 . 3 1 1 A 40 40 GLU HA H 40 4.139 4.784 -0.645 1
1 384 . 3 1 1 A 40 40 GLU C C 40 176.602 175.633 0.969 1
1 385 . 3 1 1 A 40 40 GLU CA C 40 56.915 54.611 2.304 1
1 386 . 3 1 1 A 40 40 GLU CB C 40 30.414 32.530 -2.116 1
1 388 . 3 1 1 A 40 40 GLU N N 40 120.155 119.608 0.547 1
1 389 . 3 1 1 A 41 41 LYS H H 41 8.274 8.600 -0.326 1
1 390 . 3 1 1 A 41 41 LYS HA H 41 4.496 4.963 -0.467 1
1 399 . 3 1 1 A 41 41 LYS C C 41 173.906 175.286 -1.380 1
1 400 . 3 1 1 A 41 41 LYS CA C 41 53.865 53.342 0.523 1
1 401 . 3 1 1 A 41 41 LYS CB C 41 33.372 32.955 0.417 1
1 405 . 3 1 1 A 41 41 LYS N N 41 121.689 120.750 0.939 1
1 406 . 3 1 1 A 42 42 PRO HA H 42 4.253 4.362 -0.109 1
1 413 . 3 1 1 A 42 42 PRO C C 42 176.660 175.780 0.880 1
1 414 . 3 1 1 A 42 42 PRO CA C 42 63.718 64.479 -0.761 1
1 415 . 3 1 1 A 42 42 PRO CB C 42 32.320 31.471 0.849 1
1 418 . 3 1 1 A 43 43 TYR H H 43 7.693 7.614 0.079 1
1 419 . 3 1 1 A 43 43 TYR HA H 43 4.600 4.754 -0.154 1
1 426 . 3 1 1 A 43 43 TYR C C 43 174.460 174.947 -0.487 1
1 427 . 3 1 1 A 43 43 TYR CA C 43 57.722 57.686 0.036 1
1 428 . 3 1 1 A 43 43 TYR CB C 43 37.840 38.465 -0.625 1
1 433 . 3 1 1 A 43 43 TYR N N 43 118.327 117.908 0.419 1
1 434 . 3 1 1 A 44 44 LYS H H 44 8.335 8.995 -0.660 1
1 435 . 3 1 1 A 44 44 LYS HA H 44 4.826 5.341 -0.515 1
1 444 . 3 1 1 A 44 44 LYS C C 44 174.679 175.264 -0.585 1
1 445 . 3 1 1 A 44 44 LYS CA C 44 55.423 54.452 0.971 1
1 446 . 3 1 1 A 44 44 LYS CB C 44 35.380 36.133 -0.753 1
1 450 . 3 1 1 A 44 44 LYS N N 44 125.187 125.717 -0.530 1
1 451 . 3 1 1 A 45 45 CYS H H 45 9.250 9.492 -0.242 1
1 452 . 3 1 1 A 45 45 CYS HA H 45 4.536 4.731 -0.195 1
1 455 . 3 1 1 A 45 45 CYS C C 45 177.400 174.761 2.639 1
1 456 . 3 1 1 A 45 45 CYS CA C 45 59.384 59.651 -0.267 1
1 457 . 3 1 1 A 45 45 CYS CB C 45 29.482 29.261 0.221 1
1 458 . 3 1 1 A 45 45 CYS N N 45 126.431 124.423 2.008 1
1 459 . 3 1 1 A 46 46 LEU H H 46 9.297 8.580 0.717 1
1 460 . 3 1 1 A 46 46 LEU HA H 46 4.192 4.629 -0.437 1
1 470 . 3 1 1 A 46 46 LEU C C 46 177.806 178.162 -0.356 1
1 471 . 3 1 1 A 46 46 LEU CA C 46 56.944 54.779 2.165 1
1 472 . 3 1 1 A 46 46 LEU CB C 46 41.269 43.583 -2.314 1
1 476 . 3 1 1 A 46 46 LEU N N 46 132.501 127.447 5.054 1
1 477 . 3 1 1 A 47 47 GLU H H 47 8.568 7.861 0.707 1
1 478 . 3 1 1 A 47 47 GLU HA H 47 4.161 4.086 0.075 1
1 483 . 3 1 1 A 47 47 GLU C C 47 177.358 177.924 -0.566 1
1 484 . 3 1 1 A 47 47 GLU CA C 47 58.545 59.254 -0.709 1
1 485 . 3 1 1 A 47 47 GLU CB C 47 29.500 30.000 -0.500 1
1 487 . 3 1 1 A 47 47 GLU N N 47 120.165 119.921 0.244 1
1 488 . 3 1 1 A 48 48 CYS H H 48 7.979 7.391 0.588 1
1 489 . 3 1 1 A 48 48 CYS HA H 48 5.182 4.627 0.555 1
1 492 . 3 1 1 A 48 48 CYS C C 48 176.224 175.250 0.974 1
1 493 . 3 1 1 A 48 48 CYS CA C 48 58.210 59.306 -1.096 1
1 494 . 3 1 1 A 48 48 CYS CB C 48 32.531 30.015 2.516 1
1 495 . 3 1 1 A 48 48 CYS N N 48 114.531 114.696 -0.165 1
1 496 . 3 1 1 A 49 49 GLY H H 49 8.156 7.975 0.181 1
1 497 . 3 1 1 A 49 49 GLY HA2 H 49 4.273 4.089 0.184 1
1 498 . 3 1 1 A 49 49 GLY HA3 H 49 3.771 4.120 -0.349 1
1 499 . 3 1 1 A 49 49 GLY C C 49 173.907 172.377 1.530 1
1 500 . 3 1 1 A 49 49 GLY CA C 49 46.207 44.918 1.289 1
1 501 . 3 1 1 A 49 49 GLY N N 49 113.613 109.290 4.323 1
1 502 . 3 1 1 A 50 50 LYS H H 50 7.961 8.661 -0.700 1
1 503 . 3 1 1 A 50 50 LYS HA H 50 3.936 4.661 -0.725 1
1 512 . 3 1 1 A 50 50 LYS C C 50 173.571 173.618 -0.047 1
1 513 . 3 1 1 A 50 50 LYS CA C 50 58.199 55.621 2.578 1
1 514 . 3 1 1 A 50 50 LYS CB C 50 33.479 36.232 -2.753 1
1 518 . 3 1 1 A 50 50 LYS N N 50 123.259 125.331 -2.072 1
1 519 . 3 1 1 A 51 51 ALA H H 51 7.740 8.426 -0.686 1
1 520 . 3 1 1 A 51 51 ALA HA H 51 5.179 5.607 -0.428 1
1 524 . 3 1 1 A 51 51 ALA C C 51 175.844 175.747 0.097 1
1 525 . 3 1 1 A 51 51 ALA CA C 51 50.329 50.124 0.205 1
1 526 . 3 1 1 A 51 51 ALA CB C 51 22.741 21.920 0.821 1
1 527 . 3 1 1 A 51 51 ALA N N 51 123.792 127.400 -3.608 1
1 528 . 3 1 1 A 52 52 PHE H H 52 8.698 8.845 -0.147 1
1 529 . 3 1 1 A 52 52 PHE HA H 52 4.653 5.001 -0.348 1
1 537 . 3 1 1 A 52 52 PHE C C 52 175.640 175.943 -0.303 1
1 538 . 3 1 1 A 52 52 PHE CA C 52 57.636 56.521 1.115 1
1 539 . 3 1 1 A 52 52 PHE CB C 52 43.314 40.760 2.554 1
1 545 . 3 1 1 A 52 52 PHE N N 52 116.792 117.971 -1.179 1
1 546 . 3 1 1 A 53 53 SER H H 53 9.246 9.029 0.217 1
1 547 . 3 1 1 A 53 53 SER HA H 53 4.627 4.307 0.320 1
1 550 . 3 1 1 A 53 53 SER C C 53 173.837 173.750 0.087 1
1 551 . 3 1 1 A 53 53 SER CA C 53 60.959 61.503 -0.544 1
1 552 . 3 1 1 A 53 53 SER CB C 53 64.077 62.959 1.118 1
1 553 . 3 1 1 A 53 53 SER N N 53 116.932 121.082 -4.150 1
1 554 . 3 1 1 A 54 54 GLN H H 54 7.873 8.119 -0.246 1
1 555 . 3 1 1 A 54 54 GLN HA H 54 4.774 4.638 0.136 1
1 562 . 3 1 1 A 54 54 GLN C C 54 176.112 175.528 0.584 1
1 563 . 3 1 1 A 54 54 GLN CA C 54 53.972 54.345 -0.373 1
1 564 . 3 1 1 A 54 54 GLN CB C 54 32.160 31.387 0.773 1
1 566 . 3 1 1 A 54 54 GLN N N 54 116.030 117.953 -1.923 1
1 568 . 3 1 1 A 55 55 ASN H H 55 8.494 8.566 -0.072 1
1 569 . 3 1 1 A 55 55 ASN HA H 55 3.540 3.876 -0.336 1
1 574 . 3 1 1 A 55 55 ASN C C 55 177.306 176.611 0.695 1
1 575 . 3 1 1 A 55 55 ASN CA C 55 56.094 55.775 0.319 1
1 576 . 3 1 1 A 55 55 ASN CB C 55 38.260 38.082 0.178 1
1 577 . 3 1 1 A 55 55 ASN N N 55 124.248 122.009 2.239 1
1 579 . 3 1 1 A 56 56 SER HA H 56 3.867 4.163 -0.296 1
1 582 . 3 1 1 A 56 56 SER C C 56 176.822 176.736 0.086 1
1 583 . 3 1 1 A 56 56 SER CA C 56 60.888 61.028 -0.140 1
1 584 . 3 1 1 A 56 56 SER CB C 56 61.588 62.748 -1.160 1
1 585 . 3 1 1 A 57 57 GLY H H 57 7.104 8.146 -1.042 1
1 586 . 3 1 1 A 57 57 GLY HA2 H 57 3.893 3.647 0.246 1
1 587 . 3 1 1 A 57 57 GLY HA3 H 57 3.718 3.675 0.043 1
1 588 . 3 1 1 A 57 57 GLY C C 57 175.641 175.215 0.426 1
1 589 . 3 1 1 A 57 57 GLY CA C 57 46.508 46.860 -0.352 1
1 590 . 3 1 1 A 57 57 GLY N N 57 109.816 107.081 2.735 1
1 591 . 3 1 1 A 58 58 LEU H H 58 6.781 7.522 -0.741 1
1 592 . 3 1 1 A 58 58 LEU HA H 58 3.288 2.618 0.670 1
1 602 . 3 1 1 A 58 58 LEU C C 58 177.650 178.162 -0.512 1
1 603 . 3 1 1 A 58 58 LEU CA C 58 57.726 56.721 1.005 1
1 604 . 3 1 1 A 58 58 LEU CB C 58 40.656 41.127 -0.471 1
1 608 . 3 1 1 A 58 58 LEU N N 58 124.058 121.837 2.221 1
1 609 . 3 1 1 A 59 59 ILE H H 59 8.281 8.116 0.165 1
1 610 . 3 1 1 A 59 59 ILE HA H 59 3.686 3.455 0.231 1
1 620 . 3 1 1 A 59 59 ILE C C 59 179.220 178.015 1.205 1
1 621 . 3 1 1 A 59 59 ILE CA C 59 64.389 65.087 -0.698 1
1 622 . 3 1 1 A 59 59 ILE CB C 59 37.545 37.616 -0.071 1
1 626 . 3 1 1 A 59 59 ILE N N 59 119.575 120.235 -0.660 1
1 627 . 3 1 1 A 60 60 ASN H H 60 7.677 8.056 -0.379 1
1 628 . 3 1 1 A 60 60 ASN HA H 60 4.326 4.396 -0.070 1
1 633 . 3 1 1 A 60 60 ASN C C 60 177.688 177.067 0.621 1
1 634 . 3 1 1 A 60 60 ASN CA C 60 56.183 55.480 0.703 1
1 635 . 3 1 1 A 60 60 ASN CB C 60 38.549 38.383 0.166 1
1 636 . 3 1 1 A 60 60 ASN N N 60 116.791 118.624 -1.833 1
1 638 . 3 1 1 A 61 61 HIS H H 61 7.526 7.783 -0.257 1
1 639 . 3 1 1 A 61 61 HIS HA H 61 4.172 4.202 -0.030 1
1 643 . 3 1 1 A 61 61 HIS C C 61 176.063 176.601 -0.538 1
1 644 . 3 1 1 A 61 61 HIS CA C 61 58.924 57.787 1.137 1
1 645 . 3 1 1 A 61 61 HIS CB C 61 29.110 30.509 -1.399 1
1 647 . 3 1 1 A 61 61 HIS N N 61 119.310 119.146 0.164 1
1 648 . 3 1 1 A 62 62 GLN H H 62 8.345 7.517 0.828 1
1 649 . 3 1 1 A 62 62 GLN HA H 62 3.631 4.304 -0.673 1
1 656 . 3 1 1 A 62 62 GLN C C 62 177.302 178.415 -1.113 1
1 657 . 3 1 1 A 62 62 GLN CA C 62 59.260 57.152 2.108 1
1 658 . 3 1 1 A 62 62 GLN CB C 62 28.161 29.458 -1.297 1
1 660 . 3 1 1 A 62 62 GLN N N 62 115.573 118.054 -2.481 1
1 662 . 3 1 1 A 63 63 ARG H H 63 7.029 8.118 -1.089 1
1 663 . 3 1 1 A 63 63 ARG HA H 63 4.091 4.023 0.068 1
1 670 . 3 1 1 A 63 63 ARG C C 63 178.257 177.870 0.387 1
1 671 . 3 1 1 A 63 63 ARG CA C 63 58.505 58.718 -0.213 1
1 672 . 3 1 1 A 63 63 ARG CB C 63 30.046 30.222 -0.176 1
1 675 . 3 1 1 A 63 63 ARG N N 63 117.521 118.562 -1.041 1
1 676 . 3 1 1 A 64 64 ILE H H 64 7.763 7.527 0.236 1
1 677 . 3 1 1 A 64 64 ILE HA H 64 3.988 3.721 0.267 1
1 687 . 3 1 1 A 64 64 ILE C C 64 177.138 177.886 -0.748 1
1 688 . 3 1 1 A 64 64 ILE CA C 64 62.780 64.191 -1.411 1
1 689 . 3 1 1 A 64 64 ILE CB C 64 37.760 37.315 0.445 1
1 693 . 3 1 1 A 64 64 ILE N N 64 115.601 116.146 -0.545 1
1 694 . 3 1 1 A 65 65 HIS H H 65 7.261 7.050 0.211 1
1 695 . 3 1 1 A 65 65 HIS HA H 65 4.867 4.305 0.562 1
1 700 . 3 1 1 A 65 65 HIS C C 65 175.314 176.574 -1.260 1
1 701 . 3 1 1 A 65 65 HIS CA C 65 54.927 59.721 -4.794 1
1 702 . 3 1 1 A 65 65 HIS CB C 65 28.723 30.346 -1.623 1
1 705 . 3 1 1 A 65 65 HIS N N 65 118.018 120.905 -2.887 1
1 706 . 3 1 1 A 66 66 THR H H 66 7.717 7.579 0.138 1
1 707 . 3 1 1 A 66 66 THR HA H 66 4.433 4.295 0.138 1
1 712 . 3 1 1 A 66 66 THR C C 66 174.569 174.534 0.035 1
1 713 . 3 1 1 A 66 66 THR CA C 66 61.984 60.457 1.527 1
1 714 . 3 1 1 A 66 66 THR CB C 66 69.832 67.349 2.483 1
1 716 . 3 1 1 A 66 66 THR N N 66 112.598 111.915 0.683 1
1 717 . 3 1 1 A 67 67 SER H H 67 8.272 7.579 0.693 1
1 718 . 3 1 1 A 67 67 SER HA H 67 4.540 4.685 -0.145 1
1 721 . 3 1 1 A 67 67 SER C C 67 174.531 175.163 -0.632 1
1 722 . 3 1 1 A 67 67 SER CA C 67 58.517 58.530 -0.013 1
1 723 . 3 1 1 A 67 67 SER CB C 67 64.041 64.574 -0.533 1
1 724 . 3 1 1 A 67 67 SER N N 67 117.832 119.552 -1.720 1
1 725 . 3 1 1 A 68 68 GLY H H 68 8.223 8.007 0.216 1
1 726 . 3 1 1 A 68 68 GLY HA2 H 68 4.153 4.069 0.084 1
1 727 . 3 1 1 A 68 68 GLY HA3 H 68 4.101 4.073 0.028 1
1 728 . 3 1 1 A 68 68 GLY C C 68 171.817 174.892 -3.075 1
1 729 . 3 1 1 A 68 68 GLY CA C 68 44.704 44.165 0.539 1
1 730 . 3 1 1 A 68 68 GLY N N 68 110.671 110.382 0.289 1
1 731 . 3 1 1 A 69 69 PRO HA H 69 4.469 4.559 -0.090 1
1 738 . 3 1 1 A 69 69 PRO CA C 69 63.244 63.516 -0.272 1
1 739 . 3 1 1 A 69 69 PRO CB C 69 32.208 32.274 -0.066 1
1 1 . 4 1 1 A 7 7 GLY HA2 H 7 3.957 4.161 -0.204 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.957 4.166 -0.209 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.124 172.948 1.176 1
1 4 . 4 1 1 A 7 7 GLY CA C 7 45.359 44.964 0.395 1
1 5 . 4 1 1 A 8 8 ILE H H 8 7.939 8.934 -0.995 1
1 6 . 4 1 1 A 8 8 ILE HA H 8 4.106 4.855 -0.749 1
1 16 . 4 1 1 A 8 8 ILE C C 8 176.213 174.612 1.601 1
1 17 . 4 1 1 A 8 8 ILE CA C 8 61.378 60.459 0.919 1
1 18 . 4 1 1 A 8 8 ILE CB C 8 38.603 40.336 -1.733 1
1 22 . 4 1 1 A 8 8 ILE N N 8 119.652 126.238 -6.586 1
1 23 . 4 1 1 A 9 9 HIS H H 9 8.409 8.737 -0.328 1
1 24 . 4 1 1 A 9 9 HIS C C 9 175.436 173.138 2.298 1
1 25 . 4 1 1 A 9 9 HIS CA C 9 56.065 55.454 0.611 1
1 26 . 4 1 1 A 9 9 HIS CB C 9 30.677 33.566 -2.889 1
1 27 . 4 1 1 A 9 9 HIS N N 9 123.607 127.336 -3.729 1
1 28 . 4 1 1 A 10 10 SER HA H 10 4.484 4.939 -0.455 1
1 31 . 4 1 1 A 10 10 SER C C 10 174.981 174.005 0.976 1
1 32 . 4 1 1 A 10 10 SER CA C 10 58.621 57.137 1.484 1
1 33 . 4 1 1 A 10 10 SER CB C 10 63.732 64.824 -1.092 1
1 34 . 4 1 1 A 11 11 GLY H H 11 8.447 8.503 -0.056 1
1 35 . 4 1 1 A 11 11 GLY HA2 H 11 3.936 4.007 -0.071 1
1 36 . 4 1 1 A 11 11 GLY HA3 H 11 3.936 4.038 -0.102 1
1 37 . 4 1 1 A 11 11 GLY C C 11 174.112 175.374 -1.262 1
1 38 . 4 1 1 A 11 11 GLY CA C 11 45.292 45.865 -0.573 1
1 39 . 4 1 1 A 11 11 GLY N N 11 110.887 113.134 -2.247 1
1 40 . 4 1 1 A 12 12 GLU H H 12 8.200 8.215 -0.015 1
1 41 . 4 1 1 A 12 12 GLU HA H 12 4.174 4.322 -0.148 1
1 46 . 4 1 1 A 12 12 GLU C C 12 176.545 176.208 0.337 1
1 47 . 4 1 1 A 12 12 GLU CA C 12 56.962 57.155 -0.193 1
1 48 . 4 1 1 A 12 12 GLU CB C 12 30.388 30.335 0.053 1
1 50 . 4 1 1 A 12 12 GLU N N 12 120.059 122.975 -2.916 1
1 51 . 4 1 1 A 13 13 LYS H H 13 8.280 7.483 0.797 1
1 52 . 4 1 1 A 13 13 LYS HA H 13 4.434 4.652 -0.218 1
1 61 . 4 1 1 A 13 13 LYS C C 13 173.760 175.548 -1.788 1
1 62 . 4 1 1 A 13 13 LYS CA C 13 53.742 52.964 0.778 1
1 63 . 4 1 1 A 13 13 LYS CB C 13 33.067 32.697 0.370 1
1 67 . 4 1 1 A 13 13 LYS N N 13 121.235 121.907 -0.672 1
1 68 . 4 1 1 A 14 14 PRO HA H 14 4.268 4.505 -0.237 1
1 75 . 4 1 1 A 14 14 PRO C C 14 176.391 175.931 0.460 1
1 76 . 4 1 1 A 14 14 PRO CA C 14 63.473 64.514 -1.041 1
1 77 . 4 1 1 A 14 14 PRO CB C 14 32.243 31.843 0.400 1
1 80 . 4 1 1 A 15 15 TYR H H 15 7.898 7.699 0.199 1
1 81 . 4 1 1 A 15 15 TYR HA H 15 4.609 4.950 -0.341 1
1 88 . 4 1 1 A 15 15 TYR C C 15 175.259 175.750 -0.491 1
1 89 . 4 1 1 A 15 15 TYR CA C 15 57.252 56.620 0.632 1
1 90 . 4 1 1 A 15 15 TYR CB C 15 37.800 40.865 -3.065 1
1 95 . 4 1 1 A 15 15 TYR N N 15 118.120 118.919 -0.799 1
1 96 . 4 1 1 A 16 16 GLY H H 16 8.420 8.650 -0.230 1
1 97 . 4 1 1 A 16 16 GLY HA2 H 16 4.634 4.381 0.253 1
1 98 . 4 1 1 A 16 16 GLY HA3 H 16 3.568 4.384 -0.816 1
1 99 . 4 1 1 A 16 16 GLY C C 16 172.667 172.132 0.535 1
1 100 . 4 1 1 A 16 16 GLY CA C 16 44.599 45.457 -0.858 1
1 101 . 4 1 1 A 16 16 GLY N N 16 111.924 109.526 2.398 1
1 102 . 4 1 1 A 17 17 CYS H H 17 9.142 8.617 0.525 1
1 103 . 4 1 1 A 17 17 CYS HA H 17 4.712 5.038 -0.326 1
1 106 . 4 1 1 A 17 17 CYS C C 17 177.696 174.781 2.915 1
1 107 . 4 1 1 A 17 17 CYS CA C 17 58.694 57.961 0.733 1
1 108 . 4 1 1 A 17 17 CYS CB C 17 29.770 29.808 -0.038 1
1 109 . 4 1 1 A 17 17 CYS N N 17 125.008 117.974 7.034 1
1 110 . 4 1 1 A 18 18 VAL H H 18 9.089 8.618 0.471 1
1 111 . 4 1 1 A 18 18 VAL HA H 18 4.003 4.168 -0.165 1
1 119 . 4 1 1 A 18 18 VAL C C 18 176.506 177.728 -1.222 1
1 120 . 4 1 1 A 18 18 VAL CA C 18 64.407 63.849 0.558 1
1 121 . 4 1 1 A 18 18 VAL CB C 18 31.744 33.439 -1.695 1
1 124 . 4 1 1 A 18 18 VAL N N 18 129.598 124.412 5.186 1
1 125 . 4 1 1 A 19 19 GLU H H 19 8.413 7.779 0.634 1
1 126 . 4 1 1 A 19 19 GLU HA H 19 4.187 3.907 0.280 1
1 131 . 4 1 1 A 19 19 GLU C C 19 177.385 177.985 -0.600 1
1 132 . 4 1 1 A 19 19 GLU CA C 19 58.535 59.407 -0.872 1
1 133 . 4 1 1 A 19 19 GLU CB C 19 29.358 28.789 0.569 1
1 135 . 4 1 1 A 19 19 GLU N N 19 121.264 122.146 -0.882 1
1 136 . 4 1 1 A 20 20 CYS H H 20 7.854 7.219 0.635 1
1 137 . 4 1 1 A 20 20 CYS HA H 20 5.142 4.751 0.391 1
1 140 . 4 1 1 A 20 20 CYS C C 20 176.237 175.750 0.487 1
1 141 . 4 1 1 A 20 20 CYS CA C 20 58.341 59.529 -1.188 1
1 142 . 4 1 1 A 20 20 CYS CB C 20 32.531 30.248 2.283 1
1 143 . 4 1 1 A 20 20 CYS N N 20 113.736 114.533 -0.797 1
1 144 . 4 1 1 A 21 21 GLY H H 21 8.281 8.218 0.063 1
1 145 . 4 1 1 A 21 21 GLY HA2 H 21 4.216 4.047 0.169 1
1 146 . 4 1 1 A 21 21 GLY HA3 H 21 3.784 4.048 -0.264 1
1 147 . 4 1 1 A 21 21 GLY C C 21 174.288 174.237 0.051 1
1 148 . 4 1 1 A 21 21 GLY CA C 21 46.159 45.254 0.905 1
1 149 . 4 1 1 A 21 21 GLY N N 21 113.574 110.328 3.246 1
1 150 . 4 1 1 A 22 22 LYS H H 22 7.891 7.790 0.101 1
1 151 . 4 1 1 A 22 22 LYS HA H 22 3.989 4.129 -0.140 1
1 160 . 4 1 1 A 22 22 LYS C C 22 173.452 175.096 -1.644 1
1 161 . 4 1 1 A 22 22 LYS CA C 22 57.789 55.759 2.030 1
1 162 . 4 1 1 A 22 22 LYS CB C 22 34.125 32.672 1.453 1
1 166 . 4 1 1 A 22 22 LYS N N 22 122.877 119.583 3.294 1
1 167 . 4 1 1 A 23 23 ALA H H 23 7.645 8.551 -0.906 1
1 168 . 4 1 1 A 23 23 ALA HA H 23 4.925 5.396 -0.471 1
1 172 . 4 1 1 A 23 23 ALA C C 23 175.868 175.711 0.157 1
1 173 . 4 1 1 A 23 23 ALA CA C 23 50.523 49.939 0.584 1
1 174 . 4 1 1 A 23 23 ALA CB C 23 22.145 21.647 0.498 1
1 175 . 4 1 1 A 23 23 ALA N N 23 122.280 127.074 -4.794 1
1 176 . 4 1 1 A 24 24 PHE H H 24 8.337 8.632 -0.295 1
1 177 . 4 1 1 A 24 24 PHE HA H 24 4.890 4.977 -0.087 1
1 185 . 4 1 1 A 24 24 PHE C C 24 175.994 175.898 0.096 1
1 186 . 4 1 1 A 24 24 PHE CA C 24 56.926 56.617 0.309 1
1 187 . 4 1 1 A 24 24 PHE CB C 24 43.626 41.833 1.793 1
1 193 . 4 1 1 A 24 24 PHE N N 24 116.352 118.595 -2.243 1
1 194 . 4 1 1 A 25 25 SER H H 25 9.344 8.949 0.395 1
1 195 . 4 1 1 A 25 25 SER HA H 25 4.612 4.323 0.289 1
1 198 . 4 1 1 A 25 25 SER C C 25 174.148 173.824 0.324 1
1 199 . 4 1 1 A 25 25 SER CA C 25 60.554 60.829 -0.275 1
1 200 . 4 1 1 A 25 25 SER CB C 25 64.329 62.962 1.367 1
1 201 . 4 1 1 A 25 25 SER N N 25 115.148 119.861 -4.713 1
1 202 . 4 1 1 A 26 26 ARG H H 26 7.040 7.746 -0.706 1
1 203 . 4 1 1 A 26 26 ARG HA H 26 4.719 4.672 0.047 1
1 210 . 4 1 1 A 26 26 ARG C C 26 176.116 176.283 -0.167 1
1 211 . 4 1 1 A 26 26 ARG CA C 26 54.417 54.317 0.100 1
1 212 . 4 1 1 A 26 26 ARG CB C 26 34.587 33.065 1.522 1
1 215 . 4 1 1 A 26 26 ARG N N 26 115.877 120.321 -4.444 1
1 216 . 4 1 1 A 27 27 SER H H 27 8.441 8.732 -0.291 1
1 217 . 4 1 1 A 27 27 SER HA H 27 3.278 3.696 -0.418 1
1 220 . 4 1 1 A 27 27 SER CA C 27 61.160 61.414 -0.254 1
1 221 . 4 1 1 A 27 27 SER CB C 27 61.910 61.975 -0.065 1
1 222 . 4 1 1 A 27 27 SER N N 27 120.683 118.434 2.249 1
1 223 . 4 1 1 A 28 28 SER HA H 28 3.969 4.045 -0.076 1
1 226 . 4 1 1 A 28 28 SER C C 28 176.640 176.028 0.612 1
1 227 . 4 1 1 A 28 28 SER CA C 28 61.029 62.265 -1.236 1
1 228 . 4 1 1 A 28 28 SER CB C 28 61.506 62.960 -1.454 1
1 229 . 4 1 1 A 29 29 ILE H H 29 6.628 7.754 -1.126 1
1 230 . 4 1 1 A 29 29 ILE HA H 29 3.725 3.470 0.255 1
1 240 . 4 1 1 A 29 29 ILE C C 29 178.108 177.377 0.731 1
1 241 . 4 1 1 A 29 29 ILE CA C 29 63.470 64.203 -0.733 1
1 242 . 4 1 1 A 29 29 ILE CB C 29 38.013 37.424 0.589 1
1 246 . 4 1 1 A 29 29 ILE N N 29 122.549 121.299 1.250 1
1 247 . 4 1 1 A 30 30 LEU H H 30 7.003 7.839 -0.836 1
1 248 . 4 1 1 A 30 30 LEU HA H 30 3.511 3.973 -0.462 1
1 258 . 4 1 1 A 30 30 LEU C C 30 177.880 178.659 -0.779 1
1 259 . 4 1 1 A 30 30 LEU CA C 30 58.394 58.498 -0.104 1
1 260 . 4 1 1 A 30 30 LEU CB C 30 40.239 42.221 -1.982 1
1 264 . 4 1 1 A 30 30 LEU N N 30 122.518 121.316 1.202 1
1 265 . 4 1 1 A 31 31 VAL H H 31 8.203 8.167 0.036 1
1 266 . 4 1 1 A 31 31 VAL HA H 31 3.709 3.538 0.171 1
1 274 . 4 1 1 A 31 31 VAL C C 31 179.070 177.505 1.565 1
1 275 . 4 1 1 A 31 31 VAL CA C 31 66.618 67.129 -0.511 1
1 276 . 4 1 1 A 31 31 VAL CB C 31 31.624 31.479 0.145 1
1 279 . 4 1 1 A 31 31 VAL N N 31 118.600 119.665 -1.065 1
1 280 . 4 1 1 A 32 32 GLN H H 32 7.323 7.946 -0.623 1
1 281 . 4 1 1 A 32 32 GLN HA H 32 3.927 4.053 -0.126 1
1 288 . 4 1 1 A 32 32 GLN C C 32 178.751 177.010 1.741 1
1 289 . 4 1 1 A 32 32 GLN CA C 32 58.772 58.296 0.476 1
1 290 . 4 1 1 A 32 32 GLN CB C 32 28.368 28.795 -0.427 1
1 292 . 4 1 1 A 32 32 GLN N N 32 118.113 118.339 -0.226 1
1 294 . 4 1 1 A 33 33 HIS H H 33 8.046 7.988 0.058 1
1 295 . 4 1 1 A 33 33 HIS HA H 33 4.148 4.344 -0.196 1
1 300 . 4 1 1 A 33 33 HIS C C 33 176.164 177.142 -0.978 1
1 301 . 4 1 1 A 33 33 HIS CA C 33 59.033 57.861 1.172 1
1 302 . 4 1 1 A 33 33 HIS CB C 33 27.726 30.392 -2.666 1
1 305 . 4 1 1 A 33 33 HIS N N 33 120.097 120.918 -0.821 1
1 306 . 4 1 1 A 34 34 GLN H H 34 8.348 8.100 0.248 1
1 307 . 4 1 1 A 34 34 GLN HA H 34 3.630 4.390 -0.760 1
1 314 . 4 1 1 A 34 34 GLN C C 34 177.457 178.324 -0.867 1
1 315 . 4 1 1 A 34 34 GLN CA C 34 59.367 58.018 1.349 1
1 316 . 4 1 1 A 34 34 GLN CB C 34 28.158 29.818 -1.660 1
1 318 . 4 1 1 A 34 34 GLN N N 34 115.621 118.081 -2.460 1
1 320 . 4 1 1 A 35 35 ARG H H 35 7.167 8.223 -1.056 1
1 321 . 4 1 1 A 35 35 ARG HA H 35 4.094 4.142 -0.048 1
1 328 . 4 1 1 A 35 35 ARG C C 35 178.544 176.543 2.001 1
1 329 . 4 1 1 A 35 35 ARG CA C 35 58.553 58.334 0.219 1
1 330 . 4 1 1 A 35 35 ARG CB C 35 30.016 29.634 0.382 1
1 333 . 4 1 1 A 35 35 ARG N N 35 117.694 119.121 -1.427 1
1 334 . 4 1 1 A 36 36 VAL H H 36 7.878 7.448 0.430 1
1 335 . 4 1 1 A 36 36 VAL HA H 36 3.885 3.949 -0.064 1
1 343 . 4 1 1 A 36 36 VAL C C 36 177.246 175.033 2.213 1
1 344 . 4 1 1 A 36 36 VAL CA C 36 63.924 61.943 1.981 1
1 345 . 4 1 1 A 36 36 VAL CB C 36 31.137 31.441 -0.304 1
1 348 . 4 1 1 A 36 36 VAL N N 36 116.056 116.472 -0.416 1
1 349 . 4 1 1 A 37 37 HIS H H 37 7.151 7.593 -0.442 1
1 350 . 4 1 1 A 37 37 HIS HA H 37 4.877 4.583 0.294 1
1 355 . 4 1 1 A 37 37 HIS C C 37 175.769 177.018 -1.249 1
1 356 . 4 1 1 A 37 37 HIS CA C 37 55.034 56.781 -1.747 1
1 357 . 4 1 1 A 37 37 HIS CB C 37 28.415 31.071 -2.656 1
1 360 . 4 1 1 A 37 37 HIS N N 37 117.486 119.292 -1.806 1
1 361 . 4 1 1 A 38 38 THR H H 38 7.769 8.524 -0.755 1
1 362 . 4 1 1 A 38 38 THR HA H 38 4.288 4.122 0.166 1
1 367 . 4 1 1 A 38 38 THR C C 38 175.391 176.705 -1.314 1
1 368 . 4 1 1 A 38 38 THR CA C 38 62.697 65.349 -2.652 1
1 369 . 4 1 1 A 38 38 THR CB C 38 69.738 68.425 1.313 1
1 371 . 4 1 1 A 38 38 THR N N 38 112.779 113.493 -0.714 1
1 372 . 4 1 1 A 39 39 GLY H H 39 8.251 7.834 0.417 1
1 373 . 4 1 1 A 39 39 GLY HA2 H 39 3.994 4.029 -0.035 1
1 374 . 4 1 1 A 39 39 GLY HA3 H 39 3.920 4.045 -0.125 1
1 375 . 4 1 1 A 39 39 GLY C C 39 174.076 173.455 0.621 1
1 376 . 4 1 1 A 39 39 GLY CA C 39 45.288 44.292 0.996 1
1 377 . 4 1 1 A 39 39 GLY N N 39 110.331 111.112 -0.781 1
1 378 . 4 1 1 A 40 40 GLU H H 40 8.076 8.252 -0.176 1
1 379 . 4 1 1 A 40 40 GLU HA H 40 4.139 4.780 -0.641 1
1 384 . 4 1 1 A 40 40 GLU C C 40 176.602 176.585 0.017 1
1 385 . 4 1 1 A 40 40 GLU CA C 40 56.915 54.385 2.530 1
1 386 . 4 1 1 A 40 40 GLU CB C 40 30.414 33.348 -2.934 1
1 388 . 4 1 1 A 40 40 GLU N N 40 120.155 119.886 0.269 1
1 389 . 4 1 1 A 41 41 LYS H H 41 8.274 8.821 -0.547 1
1 390 . 4 1 1 A 41 41 LYS HA H 41 4.496 4.129 0.367 1
1 399 . 4 1 1 A 41 41 LYS C C 41 173.906 177.032 -3.126 1
1 400 . 4 1 1 A 41 41 LYS CA C 41 53.865 57.172 -3.307 1
1 401 . 4 1 1 A 41 41 LYS CB C 41 33.372 30.025 3.347 1
1 405 . 4 1 1 A 41 41 LYS N N 41 121.689 121.960 -0.271 1
1 406 . 4 1 1 A 42 42 PRO HA H 42 4.253 4.406 -0.153 1
1 413 . 4 1 1 A 42 42 PRO C C 42 176.660 175.851 0.809 1
1 414 . 4 1 1 A 42 42 PRO CA C 42 63.718 64.764 -1.046 1
1 415 . 4 1 1 A 42 42 PRO CB C 42 32.320 31.397 0.923 1
1 418 . 4 1 1 A 43 43 TYR H H 43 7.693 7.236 0.457 1
1 419 . 4 1 1 A 43 43 TYR HA H 43 4.600 4.847 -0.247 1
1 426 . 4 1 1 A 43 43 TYR C C 43 174.460 174.924 -0.464 1
1 427 . 4 1 1 A 43 43 TYR CA C 43 57.722 57.483 0.239 1
1 428 . 4 1 1 A 43 43 TYR CB C 43 37.840 39.320 -1.480 1
1 433 . 4 1 1 A 43 43 TYR N N 43 118.327 118.125 0.202 1
1 434 . 4 1 1 A 44 44 LYS H H 44 8.335 9.012 -0.677 1
1 435 . 4 1 1 A 44 44 LYS HA H 44 4.826 5.567 -0.741 1
1 444 . 4 1 1 A 44 44 LYS C C 44 174.679 175.881 -1.202 1
1 445 . 4 1 1 A 44 44 LYS CA C 44 55.423 54.486 0.937 1
1 446 . 4 1 1 A 44 44 LYS CB C 44 35.380 35.695 -0.315 1
1 450 . 4 1 1 A 44 44 LYS N N 44 125.187 125.707 -0.520 1
1 451 . 4 1 1 A 45 45 CYS H H 45 9.250 9.453 -0.203 1
1 452 . 4 1 1 A 45 45 CYS HA H 45 4.536 4.757 -0.221 1
1 455 . 4 1 1 A 45 45 CYS C C 45 177.400 176.582 0.818 1
1 456 . 4 1 1 A 45 45 CYS CA C 45 59.384 58.649 0.735 1
1 457 . 4 1 1 A 45 45 CYS CB C 45 29.482 29.386 0.096 1
1 458 . 4 1 1 A 45 45 CYS N N 45 126.431 124.449 1.982 1
1 459 . 4 1 1 A 46 46 LEU H H 46 9.297 8.492 0.805 1
1 460 . 4 1 1 A 46 46 LEU HA H 46 4.192 4.551 -0.359 1
1 470 . 4 1 1 A 46 46 LEU C C 46 177.806 178.764 -0.958 1
1 471 . 4 1 1 A 46 46 LEU CA C 46 56.944 55.550 1.394 1
1 472 . 4 1 1 A 46 46 LEU CB C 46 41.269 42.935 -1.666 1
1 476 . 4 1 1 A 46 46 LEU N N 46 132.501 122.792 9.709 1
1 477 . 4 1 1 A 47 47 GLU H H 47 8.568 7.936 0.632 1
1 478 . 4 1 1 A 47 47 GLU HA H 47 4.161 3.966 0.195 1
1 483 . 4 1 1 A 47 47 GLU C C 47 177.358 177.736 -0.378 1
1 484 . 4 1 1 A 47 47 GLU CA C 47 58.545 59.347 -0.802 1
1 485 . 4 1 1 A 47 47 GLU CB C 47 29.500 30.024 -0.524 1
1 487 . 4 1 1 A 47 47 GLU N N 47 120.165 119.116 1.049 1
1 488 . 4 1 1 A 48 48 CYS H H 48 7.979 7.336 0.643 1
1 489 . 4 1 1 A 48 48 CYS HA H 48 5.182 4.571 0.611 1
1 492 . 4 1 1 A 48 48 CYS C C 48 176.224 175.342 0.882 1
1 493 . 4 1 1 A 48 48 CYS CA C 48 58.210 59.383 -1.173 1
1 494 . 4 1 1 A 48 48 CYS CB C 48 32.531 29.582 2.949 1
1 495 . 4 1 1 A 48 48 CYS N N 48 114.531 115.106 -0.575 1
1 496 . 4 1 1 A 49 49 GLY H H 49 8.156 8.172 -0.016 1
1 497 . 4 1 1 A 49 49 GLY HA2 H 49 4.273 4.090 0.183 1
1 498 . 4 1 1 A 49 49 GLY HA3 H 49 3.771 4.115 -0.344 1
1 499 . 4 1 1 A 49 49 GLY C C 49 173.907 173.465 0.442 1
1 500 . 4 1 1 A 49 49 GLY CA C 49 46.207 45.221 0.986 1
1 501 . 4 1 1 A 49 49 GLY N N 49 113.613 109.022 4.591 1
1 502 . 4 1 1 A 50 50 LYS H H 50 7.961 8.624 -0.663 1
1 503 . 4 1 1 A 50 50 LYS HA H 50 3.936 4.837 -0.901 1
1 512 . 4 1 1 A 50 50 LYS C C 50 173.571 174.400 -0.829 1
1 513 . 4 1 1 A 50 50 LYS CA C 50 58.199 54.511 3.688 1
1 514 . 4 1 1 A 50 50 LYS CB C 50 33.479 36.890 -3.411 1
1 518 . 4 1 1 A 50 50 LYS N N 50 123.259 123.492 -0.233 1
1 519 . 4 1 1 A 51 51 ALA H H 51 7.740 8.287 -0.547 1
1 520 . 4 1 1 A 51 51 ALA HA H 51 5.179 5.610 -0.431 1
1 524 . 4 1 1 A 51 51 ALA C C 51 175.844 174.926 0.918 1
1 525 . 4 1 1 A 51 51 ALA CA C 51 50.329 50.301 0.028 1
1 526 . 4 1 1 A 51 51 ALA CB C 51 22.741 23.794 -1.053 1
1 527 . 4 1 1 A 51 51 ALA N N 51 123.792 120.980 2.812 1
1 528 . 4 1 1 A 52 52 PHE H H 52 8.698 8.733 -0.035 1
1 529 . 4 1 1 A 52 52 PHE HA H 52 4.653 4.880 -0.227 1
1 537 . 4 1 1 A 52 52 PHE C C 52 175.640 175.774 -0.134 1
1 538 . 4 1 1 A 52 52 PHE CA C 52 57.636 56.756 0.880 1
1 539 . 4 1 1 A 52 52 PHE CB C 52 43.314 43.050 0.264 1
1 545 . 4 1 1 A 52 52 PHE N N 52 116.792 116.859 -0.067 1
1 546 . 4 1 1 A 53 53 SER H H 53 9.246 8.976 0.270 1
1 547 . 4 1 1 A 53 53 SER HA H 53 4.627 4.416 0.211 1
1 550 . 4 1 1 A 53 53 SER C C 53 173.837 174.878 -1.041 1
1 551 . 4 1 1 A 53 53 SER CA C 53 60.959 61.304 -0.345 1
1 552 . 4 1 1 A 53 53 SER CB C 53 64.077 63.053 1.024 1
1 553 . 4 1 1 A 53 53 SER N N 53 116.932 118.130 -1.198 1
1 554 . 4 1 1 A 54 54 GLN H H 54 7.873 8.159 -0.286 1
1 555 . 4 1 1 A 54 54 GLN HA H 54 4.774 4.885 -0.111 1
1 562 . 4 1 1 A 54 54 GLN C C 54 176.112 175.618 0.494 1
1 563 . 4 1 1 A 54 54 GLN CA C 54 53.972 54.685 -0.713 1
1 564 . 4 1 1 A 54 54 GLN CB C 54 32.160 31.410 0.750 1
1 566 . 4 1 1 A 54 54 GLN N N 54 116.030 120.037 -4.007 1
1 568 . 4 1 1 A 55 55 ASN H H 55 8.494 8.733 -0.239 1
1 569 . 4 1 1 A 55 55 ASN HA H 55 3.540 3.696 -0.156 1
1 574 . 4 1 1 A 55 55 ASN C C 55 177.306 176.967 0.339 1
1 575 . 4 1 1 A 55 55 ASN CA C 55 56.094 56.168 -0.074 1
1 576 . 4 1 1 A 55 55 ASN CB C 55 38.260 37.777 0.483 1
1 577 . 4 1 1 A 55 55 ASN N N 55 124.248 122.551 1.697 1
1 579 . 4 1 1 A 56 56 SER HA H 56 3.867 4.122 -0.255 1
1 582 . 4 1 1 A 56 56 SER C C 56 176.822 177.068 -0.246 1
1 583 . 4 1 1 A 56 56 SER CA C 56 60.888 62.031 -1.143 1
1 584 . 4 1 1 A 56 56 SER CB C 56 61.588 62.811 -1.223 1
1 585 . 4 1 1 A 57 57 GLY H H 57 7.104 8.250 -1.146 1
1 586 . 4 1 1 A 57 57 GLY HA2 H 57 3.893 3.664 0.229 1
1 587 . 4 1 1 A 57 57 GLY HA3 H 57 3.718 3.691 0.027 1
1 588 . 4 1 1 A 57 57 GLY C C 57 175.641 175.261 0.380 1
1 589 . 4 1 1 A 57 57 GLY CA C 57 46.508 46.877 -0.369 1
1 590 . 4 1 1 A 57 57 GLY N N 57 109.816 109.763 0.053 1
1 591 . 4 1 1 A 58 58 LEU H H 58 6.781 7.582 -0.801 1
1 592 . 4 1 1 A 58 58 LEU HA H 58 3.288 2.571 0.717 1
1 602 . 4 1 1 A 58 58 LEU C C 58 177.650 178.106 -0.456 1
1 603 . 4 1 1 A 58 58 LEU CA C 58 57.726 56.667 1.059 1
1 604 . 4 1 1 A 58 58 LEU CB C 58 40.656 41.080 -0.424 1
1 608 . 4 1 1 A 58 58 LEU N N 58 124.058 121.840 2.218 1
1 609 . 4 1 1 A 59 59 ILE H H 59 8.281 8.135 0.146 1
1 610 . 4 1 1 A 59 59 ILE HA H 59 3.686 3.386 0.300 1
1 620 . 4 1 1 A 59 59 ILE C C 59 179.220 177.682 1.538 1
1 621 . 4 1 1 A 59 59 ILE CA C 59 64.389 65.596 -1.207 1
1 622 . 4 1 1 A 59 59 ILE CB C 59 37.545 37.828 -0.283 1
1 626 . 4 1 1 A 59 59 ILE N N 59 119.575 120.104 -0.529 1
1 627 . 4 1 1 A 60 60 ASN H H 60 7.677 8.112 -0.435 1
1 628 . 4 1 1 A 60 60 ASN HA H 60 4.326 4.354 -0.028 1
1 633 . 4 1 1 A 60 60 ASN C C 60 177.688 176.752 0.936 1
1 634 . 4 1 1 A 60 60 ASN CA C 60 56.183 55.942 0.241 1
1 635 . 4 1 1 A 60 60 ASN CB C 60 38.549 38.337 0.212 1
1 636 . 4 1 1 A 60 60 ASN N N 60 116.791 117.632 -0.841 1
1 638 . 4 1 1 A 61 61 HIS H H 61 7.526 7.729 -0.203 1
1 639 . 4 1 1 A 61 61 HIS HA H 61 4.172 4.230 -0.058 1
1 643 . 4 1 1 A 61 61 HIS C C 61 176.063 176.141 -0.078 1
1 644 . 4 1 1 A 61 61 HIS CA C 61 58.924 57.636 1.288 1
1 645 . 4 1 1 A 61 61 HIS CB C 61 29.110 30.156 -1.046 1
1 647 . 4 1 1 A 61 61 HIS N N 61 119.310 120.122 -0.812 1
1 648 . 4 1 1 A 62 62 GLN H H 62 8.345 8.050 0.295 1
1 649 . 4 1 1 A 62 62 GLN HA H 62 3.631 4.264 -0.633 1
1 656 . 4 1 1 A 62 62 GLN C C 62 177.302 178.106 -0.804 1
1 657 . 4 1 1 A 62 62 GLN CA C 62 59.260 56.554 2.706 1
1 658 . 4 1 1 A 62 62 GLN CB C 62 28.161 29.482 -1.321 1
1 660 . 4 1 1 A 62 62 GLN N N 62 115.573 117.538 -1.965 1
1 662 . 4 1 1 A 63 63 ARG H H 63 7.029 7.661 -0.632 1
1 663 . 4 1 1 A 63 63 ARG HA H 63 4.091 4.039 0.052 1
1 670 . 4 1 1 A 63 63 ARG C C 63 178.257 177.782 0.475 1
1 671 . 4 1 1 A 63 63 ARG CA C 63 58.505 58.575 -0.070 1
1 672 . 4 1 1 A 63 63 ARG CB C 63 30.046 29.492 0.554 1
1 675 . 4 1 1 A 63 63 ARG N N 63 117.521 118.768 -1.247 1
1 676 . 4 1 1 A 64 64 ILE H H 64 7.763 7.414 0.349 1
1 677 . 4 1 1 A 64 64 ILE HA H 64 3.988 3.727 0.261 1
1 687 . 4 1 1 A 64 64 ILE C C 64 177.138 177.854 -0.716 1
1 688 . 4 1 1 A 64 64 ILE CA C 64 62.780 64.229 -1.449 1
1 689 . 4 1 1 A 64 64 ILE CB C 64 37.760 37.416 0.344 1
1 693 . 4 1 1 A 64 64 ILE N N 64 115.601 116.173 -0.572 1
1 694 . 4 1 1 A 65 65 HIS H H 65 7.261 7.387 -0.126 1
1 695 . 4 1 1 A 65 65 HIS HA H 65 4.867 4.240 0.627 1
1 700 . 4 1 1 A 65 65 HIS C C 65 175.314 175.675 -0.361 1
1 701 . 4 1 1 A 65 65 HIS CA C 65 54.927 59.600 -4.673 1
1 702 . 4 1 1 A 65 65 HIS CB C 65 28.723 30.020 -1.297 1
1 705 . 4 1 1 A 65 65 HIS N N 65 118.018 120.606 -2.588 1
1 706 . 4 1 1 A 66 66 THR H H 66 7.717 7.093 0.624 1
1 707 . 4 1 1 A 66 66 THR HA H 66 4.433 4.255 0.178 1
1 712 . 4 1 1 A 66 66 THR C C 66 174.569 174.233 0.336 1
1 713 . 4 1 1 A 66 66 THR CA C 66 61.984 61.832 0.152 1
1 714 . 4 1 1 A 66 66 THR CB C 66 69.832 70.644 -0.812 1
1 716 . 4 1 1 A 66 66 THR N N 66 112.598 112.244 0.354 1
1 717 . 4 1 1 A 67 67 SER H H 67 8.272 8.469 -0.197 1
1 718 . 4 1 1 A 67 67 SER HA H 67 4.540 4.777 -0.237 1
1 721 . 4 1 1 A 67 67 SER C C 67 174.531 174.862 -0.331 1
1 722 . 4 1 1 A 67 67 SER CA C 67 58.517 57.669 0.848 1
1 723 . 4 1 1 A 67 67 SER CB C 67 64.041 62.380 1.661 1
1 724 . 4 1 1 A 67 67 SER N N 67 117.832 118.641 -0.809 1
1 725 . 4 1 1 A 68 68 GLY H H 68 8.223 8.788 -0.565 1
1 726 . 4 1 1 A 68 68 GLY HA2 H 68 4.153 3.918 0.235 1
1 727 . 4 1 1 A 68 68 GLY HA3 H 68 4.101 3.925 0.176 1
1 728 . 4 1 1 A 68 68 GLY C C 68 171.817 173.466 -1.649 1
1 729 . 4 1 1 A 68 68 GLY CA C 68 44.704 45.152 -0.448 1
1 730 . 4 1 1 A 68 68 GLY N N 68 110.671 115.925 -5.254 1
1 731 . 4 1 1 A 69 69 PRO HA H 69 4.469 4.434 0.035 1
1 738 . 4 1 1 A 69 69 PRO CA C 69 63.244 62.853 0.391 1
1 739 . 4 1 1 A 69 69 PRO CB C 69 32.208 31.683 0.525 1
1 1 . 5 1 1 A 7 7 GLY HA2 H 7 3.957 4.202 -0.245 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.957 4.215 -0.258 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.124 171.926 2.198 1
1 4 . 5 1 1 A 7 7 GLY CA C 7 45.359 45.917 -0.558 1
1 5 . 5 1 1 A 8 8 ILE H H 8 7.939 8.565 -0.626 1
1 6 . 5 1 1 A 8 8 ILE HA H 8 4.106 4.748 -0.642 1
1 16 . 5 1 1 A 8 8 ILE C C 8 176.213 173.640 2.573 1
1 17 . 5 1 1 A 8 8 ILE CA C 8 61.378 60.004 1.374 1
1 18 . 5 1 1 A 8 8 ILE CB C 8 38.603 41.648 -3.045 1
1 22 . 5 1 1 A 8 8 ILE N N 8 119.652 120.674 -1.022 1
1 23 . 5 1 1 A 9 9 HIS H H 9 8.409 9.027 -0.618 1
1 24 . 5 1 1 A 9 9 HIS C C 9 175.436 172.967 2.469 1
1 25 . 5 1 1 A 9 9 HIS CA C 9 56.065 54.352 1.713 1
1 26 . 5 1 1 A 9 9 HIS CB C 9 30.677 31.672 -0.995 1
1 27 . 5 1 1 A 9 9 HIS N N 9 123.607 121.469 2.138 1
1 28 . 5 1 1 A 10 10 SER HA H 10 4.484 4.640 -0.156 1
1 31 . 5 1 1 A 10 10 SER C C 10 174.981 173.791 1.190 1
1 32 . 5 1 1 A 10 10 SER CA C 10 58.621 57.300 1.321 1
1 33 . 5 1 1 A 10 10 SER CB C 10 63.732 65.833 -2.101 1
1 34 . 5 1 1 A 11 11 GLY H H 11 8.447 8.198 0.249 1
1 35 . 5 1 1 A 11 11 GLY HA2 H 11 3.936 3.866 0.070 1
1 36 . 5 1 1 A 11 11 GLY HA3 H 11 3.936 3.920 0.016 1
1 37 . 5 1 1 A 11 11 GLY C C 11 174.112 174.722 -0.610 1
1 38 . 5 1 1 A 11 11 GLY CA C 11 45.292 45.541 -0.249 1
1 39 . 5 1 1 A 11 11 GLY N N 11 110.887 108.665 2.222 1
1 40 . 5 1 1 A 12 12 GLU H H 12 8.200 7.956 0.244 1
1 41 . 5 1 1 A 12 12 GLU HA H 12 4.174 3.879 0.295 1
1 46 . 5 1 1 A 12 12 GLU C C 12 176.545 175.031 1.514 1
1 47 . 5 1 1 A 12 12 GLU CA C 12 56.962 57.740 -0.778 1
1 48 . 5 1 1 A 12 12 GLU CB C 12 30.388 26.802 3.586 1
1 50 . 5 1 1 A 12 12 GLU N N 12 120.059 115.405 4.654 1
1 51 . 5 1 1 A 13 13 LYS H H 13 8.280 7.829 0.451 1
1 52 . 5 1 1 A 13 13 LYS HA H 13 4.434 4.783 -0.349 1
1 61 . 5 1 1 A 13 13 LYS C C 13 173.760 175.027 -1.267 1
1 62 . 5 1 1 A 13 13 LYS CA C 13 53.742 53.552 0.190 1
1 63 . 5 1 1 A 13 13 LYS CB C 13 33.067 33.364 -0.297 1
1 67 . 5 1 1 A 13 13 LYS N N 13 121.235 118.942 2.293 1
1 68 . 5 1 1 A 14 14 PRO HA H 14 4.268 4.604 -0.336 1
1 75 . 5 1 1 A 14 14 PRO C C 14 176.391 175.970 0.421 1
1 76 . 5 1 1 A 14 14 PRO CA C 14 63.473 64.221 -0.748 1
1 77 . 5 1 1 A 14 14 PRO CB C 14 32.243 31.729 0.514 1
1 80 . 5 1 1 A 15 15 TYR H H 15 7.898 7.719 0.179 1
1 81 . 5 1 1 A 15 15 TYR HA H 15 4.609 5.083 -0.474 1
1 88 . 5 1 1 A 15 15 TYR C C 15 175.259 175.432 -0.173 1
1 89 . 5 1 1 A 15 15 TYR CA C 15 57.252 56.178 1.074 1
1 90 . 5 1 1 A 15 15 TYR CB C 15 37.800 39.532 -1.732 1
1 95 . 5 1 1 A 15 15 TYR N N 15 118.120 119.258 -1.138 1
1 96 . 5 1 1 A 16 16 GLY H H 16 8.420 8.941 -0.521 1
1 97 . 5 1 1 A 16 16 GLY HA2 H 16 4.634 4.300 0.334 1
1 98 . 5 1 1 A 16 16 GLY HA3 H 16 3.568 4.338 -0.770 1
1 99 . 5 1 1 A 16 16 GLY C C 16 172.667 172.552 0.115 1
1 100 . 5 1 1 A 16 16 GLY CA C 16 44.599 44.545 0.054 1
1 101 . 5 1 1 A 16 16 GLY N N 16 111.924 111.903 0.021 1
1 102 . 5 1 1 A 17 17 CYS H H 17 9.142 9.137 0.005 1
1 103 . 5 1 1 A 17 17 CYS HA H 17 4.712 4.749 -0.037 1
1 106 . 5 1 1 A 17 17 CYS C C 17 177.696 175.333 2.363 1
1 107 . 5 1 1 A 17 17 CYS CA C 17 58.694 59.376 -0.682 1
1 108 . 5 1 1 A 17 17 CYS CB C 17 29.770 28.771 0.999 1
1 109 . 5 1 1 A 17 17 CYS N N 17 125.008 121.774 3.234 1
1 110 . 5 1 1 A 18 18 VAL H H 18 9.089 8.729 0.360 1
1 111 . 5 1 1 A 18 18 VAL HA H 18 4.003 4.183 -0.180 1
1 119 . 5 1 1 A 18 18 VAL C C 18 176.506 177.695 -1.189 1
1 120 . 5 1 1 A 18 18 VAL CA C 18 64.407 63.819 0.588 1
1 121 . 5 1 1 A 18 18 VAL CB C 18 31.744 32.861 -1.117 1
1 124 . 5 1 1 A 18 18 VAL N N 18 129.598 125.180 4.418 1
1 125 . 5 1 1 A 19 19 GLU H H 19 8.413 7.821 0.592 1
1 126 . 5 1 1 A 19 19 GLU HA H 19 4.187 3.942 0.245 1
1 131 . 5 1 1 A 19 19 GLU C C 19 177.385 177.937 -0.552 1
1 132 . 5 1 1 A 19 19 GLU CA C 19 58.535 59.382 -0.847 1
1 133 . 5 1 1 A 19 19 GLU CB C 19 29.358 29.183 0.175 1
1 135 . 5 1 1 A 19 19 GLU N N 19 121.264 121.694 -0.430 1
1 136 . 5 1 1 A 20 20 CYS H H 20 7.854 7.874 -0.020 1
1 137 . 5 1 1 A 20 20 CYS HA H 20 5.142 4.774 0.368 1
1 140 . 5 1 1 A 20 20 CYS C C 20 176.237 175.603 0.634 1
1 141 . 5 1 1 A 20 20 CYS CA C 20 58.341 59.441 -1.100 1
1 142 . 5 1 1 A 20 20 CYS CB C 20 32.531 30.396 2.135 1
1 143 . 5 1 1 A 20 20 CYS N N 20 113.736 114.533 -0.797 1
1 144 . 5 1 1 A 21 21 GLY H H 21 8.281 8.003 0.278 1
1 145 . 5 1 1 A 21 21 GLY HA2 H 21 4.216 4.032 0.184 1
1 146 . 5 1 1 A 21 21 GLY HA3 H 21 3.784 4.043 -0.259 1
1 147 . 5 1 1 A 21 21 GLY C C 21 174.288 174.577 -0.289 1
1 148 . 5 1 1 A 21 21 GLY CA C 21 46.159 45.280 0.879 1
1 149 . 5 1 1 A 21 21 GLY N N 21 113.574 109.799 3.775 1
1 150 . 5 1 1 A 22 22 LYS H H 22 7.891 7.519 0.372 1
1 151 . 5 1 1 A 22 22 LYS HA H 22 3.989 3.983 0.006 1
1 160 . 5 1 1 A 22 22 LYS C C 22 173.452 175.786 -2.334 1
1 161 . 5 1 1 A 22 22 LYS CA C 22 57.789 56.976 0.813 1
1 162 . 5 1 1 A 22 22 LYS CB C 22 34.125 33.154 0.971 1
1 166 . 5 1 1 A 22 22 LYS N N 22 122.877 122.326 0.551 1
1 167 . 5 1 1 A 23 23 ALA H H 23 7.645 8.130 -0.485 1
1 168 . 5 1 1 A 23 23 ALA HA H 23 4.925 5.389 -0.464 1
1 172 . 5 1 1 A 23 23 ALA C C 23 175.868 175.509 0.359 1
1 173 . 5 1 1 A 23 23 ALA CA C 23 50.523 50.020 0.503 1
1 174 . 5 1 1 A 23 23 ALA CB C 23 22.145 22.238 -0.093 1
1 175 . 5 1 1 A 23 23 ALA N N 23 122.280 128.566 -6.286 1
1 176 . 5 1 1 A 24 24 PHE H H 24 8.337 9.205 -0.868 1
1 177 . 5 1 1 A 24 24 PHE HA H 24 4.890 4.980 -0.090 1
1 185 . 5 1 1 A 24 24 PHE C C 24 175.994 175.991 0.003 1
1 186 . 5 1 1 A 24 24 PHE CA C 24 56.926 56.526 0.400 1
1 187 . 5 1 1 A 24 24 PHE CB C 24 43.626 40.785 2.841 1
1 193 . 5 1 1 A 24 24 PHE N N 24 116.352 117.971 -1.619 1
1 194 . 5 1 1 A 25 25 SER H H 25 9.344 8.887 0.457 1
1 195 . 5 1 1 A 25 25 SER HA H 25 4.612 4.329 0.283 1
1 198 . 5 1 1 A 25 25 SER C C 25 174.148 174.792 -0.644 1
1 199 . 5 1 1 A 25 25 SER CA C 25 60.554 61.270 -0.716 1
1 200 . 5 1 1 A 25 25 SER CB C 25 64.329 62.709 1.620 1
1 201 . 5 1 1 A 25 25 SER N N 25 115.148 118.929 -3.781 1
1 202 . 5 1 1 A 26 26 ARG H H 26 7.040 8.036 -0.996 1
1 203 . 5 1 1 A 26 26 ARG HA H 26 4.719 4.604 0.115 1
1 210 . 5 1 1 A 26 26 ARG C C 26 176.116 176.255 -0.139 1
1 211 . 5 1 1 A 26 26 ARG CA C 26 54.417 54.394 0.023 1
1 212 . 5 1 1 A 26 26 ARG CB C 26 34.587 33.178 1.409 1
1 215 . 5 1 1 A 26 26 ARG N N 26 115.877 121.740 -5.863 1
1 216 . 5 1 1 A 27 27 SER H H 27 8.441 8.720 -0.279 1
1 217 . 5 1 1 A 27 27 SER HA H 27 3.278 3.768 -0.490 1
1 220 . 5 1 1 A 27 27 SER CA C 27 61.160 61.664 -0.504 1
1 221 . 5 1 1 A 27 27 SER CB C 27 61.910 62.120 -0.210 1
1 222 . 5 1 1 A 27 27 SER N N 27 120.683 118.386 2.297 1
1 223 . 5 1 1 A 28 28 SER HA H 28 3.969 4.087 -0.118 1
1 226 . 5 1 1 A 28 28 SER C C 28 176.640 176.151 0.489 1
1 227 . 5 1 1 A 28 28 SER CA C 28 61.029 62.345 -1.316 1
1 228 . 5 1 1 A 28 28 SER CB C 28 61.506 62.887 -1.381 1
1 229 . 5 1 1 A 29 29 ILE H H 29 6.628 7.788 -1.160 1
1 230 . 5 1 1 A 29 29 ILE HA H 29 3.725 3.617 0.108 1
1 240 . 5 1 1 A 29 29 ILE C C 29 178.108 177.728 0.380 1
1 241 . 5 1 1 A 29 29 ILE CA C 29 63.470 64.290 -0.820 1
1 242 . 5 1 1 A 29 29 ILE CB C 29 38.013 38.010 0.003 1
1 246 . 5 1 1 A 29 29 ILE N N 29 122.549 121.006 1.543 1
1 247 . 5 1 1 A 30 30 LEU H H 30 7.003 7.800 -0.797 1
1 248 . 5 1 1 A 30 30 LEU HA H 30 3.511 2.536 0.975 1
1 258 . 5 1 1 A 30 30 LEU C C 30 177.880 178.423 -0.543 1
1 259 . 5 1 1 A 30 30 LEU CA C 30 58.394 57.664 0.730 1
1 260 . 5 1 1 A 30 30 LEU CB C 30 40.239 41.615 -1.376 1
1 264 . 5 1 1 A 30 30 LEU N N 30 122.518 121.018 1.500 1
1 265 . 5 1 1 A 31 31 VAL H H 31 8.203 8.303 -0.100 1
1 266 . 5 1 1 A 31 31 VAL HA H 31 3.709 3.442 0.267 1
1 274 . 5 1 1 A 31 31 VAL C C 31 179.070 177.327 1.743 1
1 275 . 5 1 1 A 31 31 VAL CA C 31 66.618 66.689 -0.071 1
1 276 . 5 1 1 A 31 31 VAL CB C 31 31.624 31.277 0.347 1
1 279 . 5 1 1 A 31 31 VAL N N 31 118.600 119.516 -0.916 1
1 280 . 5 1 1 A 32 32 GLN H H 32 7.323 7.572 -0.249 1
1 281 . 5 1 1 A 32 32 GLN HA H 32 3.927 3.966 -0.039 1
1 288 . 5 1 1 A 32 32 GLN C C 32 178.751 178.451 0.300 1
1 289 . 5 1 1 A 32 32 GLN CA C 32 58.772 58.981 -0.209 1
1 290 . 5 1 1 A 32 32 GLN CB C 32 28.368 28.310 0.058 1
1 292 . 5 1 1 A 32 32 GLN N N 32 118.113 118.834 -0.721 1
1 294 . 5 1 1 A 33 33 HIS H H 33 8.046 7.790 0.256 1
1 295 . 5 1 1 A 33 33 HIS HA H 33 4.148 4.195 -0.047 1
1 300 . 5 1 1 A 33 33 HIS C C 33 176.164 177.339 -1.175 1
1 301 . 5 1 1 A 33 33 HIS CA C 33 59.033 59.568 -0.535 1
1 302 . 5 1 1 A 33 33 HIS CB C 33 27.726 29.463 -1.737 1
1 305 . 5 1 1 A 33 33 HIS N N 33 120.097 120.820 -0.723 1
1 306 . 5 1 1 A 34 34 GLN H H 34 8.348 8.301 0.047 1
1 307 . 5 1 1 A 34 34 GLN HA H 34 3.630 3.861 -0.231 1
1 314 . 5 1 1 A 34 34 GLN C C 34 177.457 178.844 -1.387 1
1 315 . 5 1 1 A 34 34 GLN CA C 34 59.367 59.327 0.040 1
1 316 . 5 1 1 A 34 34 GLN CB C 34 28.158 28.342 -0.184 1
1 318 . 5 1 1 A 34 34 GLN N N 34 115.621 118.640 -3.019 1
1 320 . 5 1 1 A 35 35 ARG H H 35 7.167 7.315 -0.148 1
1 321 . 5 1 1 A 35 35 ARG HA H 35 4.094 4.083 0.011 1
1 328 . 5 1 1 A 35 35 ARG C C 35 178.544 177.976 0.568 1
1 329 . 5 1 1 A 35 35 ARG CA C 35 58.553 58.196 0.357 1
1 330 . 5 1 1 A 35 35 ARG CB C 35 30.016 30.068 -0.052 1
1 333 . 5 1 1 A 35 35 ARG N N 35 117.694 119.118 -1.424 1
1 334 . 5 1 1 A 36 36 VAL H H 36 7.878 7.217 0.661 1
1 335 . 5 1 1 A 36 36 VAL HA H 36 3.885 3.937 -0.052 1
1 343 . 5 1 1 A 36 36 VAL C C 36 177.246 175.932 1.314 1
1 344 . 5 1 1 A 36 36 VAL CA C 36 63.924 62.800 1.124 1
1 345 . 5 1 1 A 36 36 VAL CB C 36 31.137 31.571 -0.434 1
1 348 . 5 1 1 A 36 36 VAL N N 36 116.056 116.967 -0.911 1
1 349 . 5 1 1 A 37 37 HIS H H 37 7.151 7.991 -0.840 1
1 350 . 5 1 1 A 37 37 HIS HA H 37 4.877 4.828 0.049 1
1 355 . 5 1 1 A 37 37 HIS C C 37 175.769 174.889 0.880 1
1 356 . 5 1 1 A 37 37 HIS CA C 37 55.034 55.490 -0.456 1
1 357 . 5 1 1 A 37 37 HIS CB C 37 28.415 30.387 -1.972 1
1 360 . 5 1 1 A 37 37 HIS N N 37 117.486 118.930 -1.444 1
1 361 . 5 1 1 A 38 38 THR H H 38 7.769 7.144 0.625 1
1 362 . 5 1 1 A 38 38 THR HA H 38 4.288 4.799 -0.511 1
1 367 . 5 1 1 A 38 38 THR C C 38 175.391 173.935 1.456 1
1 368 . 5 1 1 A 38 38 THR CA C 38 62.697 60.537 2.160 1
1 369 . 5 1 1 A 38 38 THR CB C 38 69.738 70.642 -0.904 1
1 371 . 5 1 1 A 38 38 THR N N 38 112.779 111.423 1.356 1
1 372 . 5 1 1 A 39 39 GLY H H 39 8.251 8.461 -0.210 1
1 373 . 5 1 1 A 39 39 GLY HA2 H 39 3.994 4.168 -0.174 1
1 374 . 5 1 1 A 39 39 GLY HA3 H 39 3.920 4.172 -0.252 1
1 375 . 5 1 1 A 39 39 GLY C C 39 174.076 172.691 1.385 1
1 376 . 5 1 1 A 39 39 GLY CA C 39 45.288 44.614 0.674 1
1 377 . 5 1 1 A 39 39 GLY N N 39 110.331 109.151 1.180 1
1 378 . 5 1 1 A 40 40 GLU H H 40 8.076 8.592 -0.516 1
1 379 . 5 1 1 A 40 40 GLU HA H 40 4.139 4.525 -0.386 1
1 384 . 5 1 1 A 40 40 GLU C C 40 176.602 176.108 0.494 1
1 385 . 5 1 1 A 40 40 GLU CA C 40 56.915 55.569 1.346 1
1 386 . 5 1 1 A 40 40 GLU CB C 40 30.414 29.027 1.387 1
1 388 . 5 1 1 A 40 40 GLU N N 40 120.155 120.898 -0.743 1
1 389 . 5 1 1 A 41 41 LYS H H 41 8.274 7.524 0.750 1
1 390 . 5 1 1 A 41 41 LYS HA H 41 4.496 5.086 -0.590 1
1 399 . 5 1 1 A 41 41 LYS C C 41 173.906 174.902 -0.996 1
1 400 . 5 1 1 A 41 41 LYS CA C 41 53.865 53.744 0.121 1
1 401 . 5 1 1 A 41 41 LYS CB C 41 33.372 33.200 0.172 1
1 405 . 5 1 1 A 41 41 LYS N N 41 121.689 122.058 -0.369 1
1 406 . 5 1 1 A 42 42 PRO HA H 42 4.253 4.508 -0.255 1
1 413 . 5 1 1 A 42 42 PRO C C 42 176.660 175.808 0.852 1
1 414 . 5 1 1 A 42 42 PRO CA C 42 63.718 64.353 -0.635 1
1 415 . 5 1 1 A 42 42 PRO CB C 42 32.320 31.436 0.884 1
1 418 . 5 1 1 A 43 43 TYR H H 43 7.693 7.287 0.406 1
1 419 . 5 1 1 A 43 43 TYR HA H 43 4.600 4.810 -0.210 1
1 426 . 5 1 1 A 43 43 TYR C C 43 174.460 175.103 -0.643 1
1 427 . 5 1 1 A 43 43 TYR CA C 43 57.722 57.006 0.716 1
1 428 . 5 1 1 A 43 43 TYR CB C 43 37.840 38.173 -0.333 1
1 433 . 5 1 1 A 43 43 TYR N N 43 118.327 118.578 -0.251 1
1 434 . 5 1 1 A 44 44 LYS H H 44 8.335 8.832 -0.497 1
1 435 . 5 1 1 A 44 44 LYS HA H 44 4.826 5.541 -0.715 1
1 444 . 5 1 1 A 44 44 LYS C C 44 174.679 175.874 -1.195 1
1 445 . 5 1 1 A 44 44 LYS CA C 44 55.423 55.052 0.371 1
1 446 . 5 1 1 A 44 44 LYS CB C 44 35.380 34.251 1.129 1
1 450 . 5 1 1 A 44 44 LYS N N 44 125.187 126.091 -0.904 1
1 451 . 5 1 1 A 45 45 CYS H H 45 9.250 9.252 -0.002 1
1 452 . 5 1 1 A 45 45 CYS HA H 45 4.536 4.832 -0.296 1
1 455 . 5 1 1 A 45 45 CYS C C 45 177.400 176.062 1.338 1
1 456 . 5 1 1 A 45 45 CYS CA C 45 59.384 58.049 1.335 1
1 457 . 5 1 1 A 45 45 CYS CB C 45 29.482 29.503 -0.021 1
1 458 . 5 1 1 A 45 45 CYS N N 45 126.431 124.510 1.921 1
1 459 . 5 1 1 A 46 46 LEU H H 46 9.297 8.861 0.436 1
1 460 . 5 1 1 A 46 46 LEU HA H 46 4.192 4.600 -0.408 1
1 470 . 5 1 1 A 46 46 LEU C C 46 177.806 177.513 0.293 1
1 471 . 5 1 1 A 46 46 LEU CA C 46 56.944 54.928 2.016 1
1 472 . 5 1 1 A 46 46 LEU CB C 46 41.269 41.184 0.085 1
1 476 . 5 1 1 A 46 46 LEU N N 46 132.501 128.992 3.509 1
1 477 . 5 1 1 A 47 47 GLU H H 47 8.568 8.314 0.254 1
1 478 . 5 1 1 A 47 47 GLU HA H 47 4.161 4.380 -0.219 1
1 483 . 5 1 1 A 47 47 GLU C C 47 177.358 177.637 -0.279 1
1 484 . 5 1 1 A 47 47 GLU CA C 47 58.545 58.034 0.511 1
1 485 . 5 1 1 A 47 47 GLU CB C 47 29.500 30.374 -0.874 1
1 487 . 5 1 1 A 47 47 GLU N N 47 120.165 118.851 1.314 1
1 488 . 5 1 1 A 48 48 CYS H H 48 7.979 7.975 0.004 1
1 489 . 5 1 1 A 48 48 CYS HA H 48 5.182 4.680 0.502 1
1 492 . 5 1 1 A 48 48 CYS C C 48 176.224 175.286 0.938 1
1 493 . 5 1 1 A 48 48 CYS CA C 48 58.210 59.386 -1.176 1
1 494 . 5 1 1 A 48 48 CYS CB C 48 32.531 29.786 2.745 1
1 495 . 5 1 1 A 48 48 CYS N N 48 114.531 115.719 -1.188 1
1 496 . 5 1 1 A 49 49 GLY H H 49 8.156 8.136 0.020 1
1 497 . 5 1 1 A 49 49 GLY HA2 H 49 4.273 4.119 0.154 1
1 498 . 5 1 1 A 49 49 GLY HA3 H 49 3.771 4.145 -0.374 1
1 499 . 5 1 1 A 49 49 GLY C C 49 173.907 173.253 0.654 1
1 500 . 5 1 1 A 49 49 GLY CA C 49 46.207 45.442 0.765 1
1 501 . 5 1 1 A 49 49 GLY N N 49 113.613 109.052 4.561 1
1 502 . 5 1 1 A 50 50 LYS H H 50 7.961 8.602 -0.641 1
1 503 . 5 1 1 A 50 50 LYS HA H 50 3.936 4.767 -0.831 1
1 512 . 5 1 1 A 50 50 LYS C C 50 173.571 174.084 -0.513 1
1 513 . 5 1 1 A 50 50 LYS CA C 50 58.199 55.407 2.792 1
1 514 . 5 1 1 A 50 50 LYS CB C 50 33.479 36.243 -2.764 1
1 518 . 5 1 1 A 50 50 LYS N N 50 123.259 124.505 -1.246 1
1 519 . 5 1 1 A 51 51 ALA H H 51 7.740 8.460 -0.720 1
1 520 . 5 1 1 A 51 51 ALA HA H 51 5.179 5.985 -0.806 1
1 524 . 5 1 1 A 51 51 ALA C C 51 175.844 176.285 -0.441 1
1 525 . 5 1 1 A 51 51 ALA CA C 51 50.329 50.029 0.300 1
1 526 . 5 1 1 A 51 51 ALA CB C 51 22.741 22.471 0.270 1
1 527 . 5 1 1 A 51 51 ALA N N 51 123.792 127.669 -3.877 1
1 528 . 5 1 1 A 52 52 PHE H H 52 8.698 9.010 -0.312 1
1 529 . 5 1 1 A 52 52 PHE HA H 52 4.653 4.899 -0.246 1
1 537 . 5 1 1 A 52 52 PHE C C 52 175.640 176.174 -0.534 1
1 538 . 5 1 1 A 52 52 PHE CA C 52 57.636 57.042 0.594 1
1 539 . 5 1 1 A 52 52 PHE CB C 52 43.314 42.922 0.392 1
1 545 . 5 1 1 A 52 52 PHE N N 52 116.792 117.713 -0.921 1
1 546 . 5 1 1 A 53 53 SER H H 53 9.246 8.990 0.256 1
1 547 . 5 1 1 A 53 53 SER HA H 53 4.627 4.822 -0.195 1
1 550 . 5 1 1 A 53 53 SER C C 53 173.837 174.603 -0.766 1
1 551 . 5 1 1 A 53 53 SER CA C 53 60.959 60.399 0.560 1
1 552 . 5 1 1 A 53 53 SER CB C 53 64.077 63.359 0.718 1
1 553 . 5 1 1 A 53 53 SER N N 53 116.932 116.999 -0.067 1
1 554 . 5 1 1 A 54 54 GLN H H 54 7.873 7.961 -0.088 1
1 555 . 5 1 1 A 54 54 GLN HA H 54 4.774 4.720 0.054 1
1 562 . 5 1 1 A 54 54 GLN C C 54 176.112 175.562 0.550 1
1 563 . 5 1 1 A 54 54 GLN CA C 54 53.972 54.537 -0.565 1
1 564 . 5 1 1 A 54 54 GLN CB C 54 32.160 32.433 -0.273 1
1 566 . 5 1 1 A 54 54 GLN N N 54 116.030 120.601 -4.571 1
1 568 . 5 1 1 A 55 55 ASN H H 55 8.494 8.548 -0.054 1
1 569 . 5 1 1 A 55 55 ASN HA H 55 3.540 3.931 -0.391 1
1 574 . 5 1 1 A 55 55 ASN C C 55 177.306 176.661 0.645 1
1 575 . 5 1 1 A 55 55 ASN CA C 55 56.094 55.992 0.102 1
1 576 . 5 1 1 A 55 55 ASN CB C 55 38.260 38.086 0.174 1
1 577 . 5 1 1 A 55 55 ASN N N 55 124.248 122.112 2.136 1
1 579 . 5 1 1 A 56 56 SER HA H 56 3.867 4.129 -0.262 1
1 582 . 5 1 1 A 56 56 SER C C 56 176.822 176.481 0.341 1
1 583 . 5 1 1 A 56 56 SER CA C 56 60.888 60.988 -0.100 1
1 584 . 5 1 1 A 56 56 SER CB C 56 61.588 62.799 -1.211 1
1 585 . 5 1 1 A 57 57 GLY H H 57 7.104 8.019 -0.915 1
1 586 . 5 1 1 A 57 57 GLY HA2 H 57 3.893 3.661 0.232 1
1 587 . 5 1 1 A 57 57 GLY HA3 H 57 3.718 3.687 0.031 1
1 588 . 5 1 1 A 57 57 GLY C C 57 175.641 175.346 0.295 1
1 589 . 5 1 1 A 57 57 GLY CA C 57 46.508 46.872 -0.364 1
1 590 . 5 1 1 A 57 57 GLY N N 57 109.816 106.998 2.818 1
1 591 . 5 1 1 A 58 58 LEU H H 58 6.781 7.556 -0.775 1
1 592 . 5 1 1 A 58 58 LEU HA H 58 3.288 2.505 0.783 1
1 602 . 5 1 1 A 58 58 LEU C C 58 177.650 177.987 -0.337 1
1 603 . 5 1 1 A 58 58 LEU CA C 58 57.726 56.448 1.278 1
1 604 . 5 1 1 A 58 58 LEU CB C 58 40.656 40.904 -0.248 1
1 608 . 5 1 1 A 58 58 LEU N N 58 124.058 121.823 2.235 1
1 609 . 5 1 1 A 59 59 ILE H H 59 8.281 8.124 0.157 1
1 610 . 5 1 1 A 59 59 ILE HA H 59 3.686 3.371 0.315 1
1 620 . 5 1 1 A 59 59 ILE C C 59 179.220 177.723 1.497 1
1 621 . 5 1 1 A 59 59 ILE CA C 59 64.389 65.403 -1.014 1
1 622 . 5 1 1 A 59 59 ILE CB C 59 37.545 37.731 -0.186 1
1 626 . 5 1 1 A 59 59 ILE N N 59 119.575 119.888 -0.313 1
1 627 . 5 1 1 A 60 60 ASN H H 60 7.677 8.226 -0.549 1
1 628 . 5 1 1 A 60 60 ASN HA H 60 4.326 4.438 -0.112 1
1 633 . 5 1 1 A 60 60 ASN C C 60 177.688 177.197 0.491 1
1 634 . 5 1 1 A 60 60 ASN CA C 60 56.183 55.614 0.569 1
1 635 . 5 1 1 A 60 60 ASN CB C 60 38.549 38.848 -0.299 1
1 636 . 5 1 1 A 60 60 ASN N N 60 116.791 118.821 -2.030 1
1 638 . 5 1 1 A 61 61 HIS H H 61 7.526 7.439 0.087 1
1 639 . 5 1 1 A 61 61 HIS HA H 61 4.172 4.246 -0.074 1
1 643 . 5 1 1 A 61 61 HIS C C 61 176.063 176.199 -0.136 1
1 644 . 5 1 1 A 61 61 HIS CA C 61 58.924 57.653 1.271 1
1 645 . 5 1 1 A 61 61 HIS CB C 61 29.110 30.243 -1.133 1
1 647 . 5 1 1 A 61 61 HIS N N 61 119.310 119.270 0.040 1
1 648 . 5 1 1 A 62 62 GLN H H 62 8.345 8.005 0.340 1
1 649 . 5 1 1 A 62 62 GLN HA H 62 3.631 4.232 -0.601 1
1 656 . 5 1 1 A 62 62 GLN C C 62 177.302 178.193 -0.891 1
1 657 . 5 1 1 A 62 62 GLN CA C 62 59.260 56.640 2.620 1
1 658 . 5 1 1 A 62 62 GLN CB C 62 28.161 29.433 -1.272 1
1 660 . 5 1 1 A 62 62 GLN N N 62 115.573 117.559 -1.986 1
1 662 . 5 1 1 A 63 63 ARG H H 63 7.029 7.836 -0.807 1
1 663 . 5 1 1 A 63 63 ARG HA H 63 4.091 4.050 0.041 1
1 670 . 5 1 1 A 63 63 ARG C C 63 178.257 177.866 0.391 1
1 671 . 5 1 1 A 63 63 ARG CA C 63 58.505 58.472 0.033 1
1 672 . 5 1 1 A 63 63 ARG CB C 63 30.046 29.462 0.584 1
1 675 . 5 1 1 A 63 63 ARG N N 63 117.521 118.846 -1.325 1
1 676 . 5 1 1 A 64 64 ILE H H 64 7.763 7.388 0.375 1
1 677 . 5 1 1 A 64 64 ILE HA H 64 3.988 3.697 0.291 1
1 687 . 5 1 1 A 64 64 ILE C C 64 177.138 177.874 -0.736 1
1 688 . 5 1 1 A 64 64 ILE CA C 64 62.780 64.242 -1.462 1
1 689 . 5 1 1 A 64 64 ILE CB C 64 37.760 37.203 0.557 1
1 693 . 5 1 1 A 64 64 ILE N N 64 115.601 116.233 -0.632 1
1 694 . 5 1 1 A 65 65 HIS H H 65 7.261 7.249 0.012 1
1 695 . 5 1 1 A 65 65 HIS HA H 65 4.867 4.375 0.492 1
1 700 . 5 1 1 A 65 65 HIS C C 65 175.314 176.737 -1.423 1
1 701 . 5 1 1 A 65 65 HIS CA C 65 54.927 59.286 -4.359 1
1 702 . 5 1 1 A 65 65 HIS CB C 65 28.723 29.672 -0.949 1
1 705 . 5 1 1 A 65 65 HIS N N 65 118.018 120.736 -2.718 1
1 706 . 5 1 1 A 66 66 THR H H 66 7.717 7.386 0.331 1
1 707 . 5 1 1 A 66 66 THR HA H 66 4.433 4.354 0.079 1
1 712 . 5 1 1 A 66 66 THR C C 66 174.569 173.516 1.053 1
1 713 . 5 1 1 A 66 66 THR CA C 66 61.984 60.441 1.543 1
1 714 . 5 1 1 A 66 66 THR CB C 66 69.832 67.415 2.417 1
1 716 . 5 1 1 A 66 66 THR N N 66 112.598 111.355 1.243 1
1 717 . 5 1 1 A 67 67 SER H H 67 8.272 8.148 0.124 1
1 718 . 5 1 1 A 67 67 SER HA H 67 4.540 5.103 -0.563 1
1 721 . 5 1 1 A 67 67 SER C C 67 174.531 174.317 0.214 1
1 722 . 5 1 1 A 67 67 SER CA C 67 58.517 56.081 2.436 1
1 723 . 5 1 1 A 67 67 SER CB C 67 64.041 65.395 -1.354 1
1 724 . 5 1 1 A 67 67 SER N N 67 117.832 121.968 -4.136 1
1 725 . 5 1 1 A 68 68 GLY H H 68 8.223 8.684 -0.461 1
1 726 . 5 1 1 A 68 68 GLY HA2 H 68 4.153 3.963 0.190 1
1 727 . 5 1 1 A 68 68 GLY HA3 H 68 4.101 3.965 0.136 1
1 728 . 5 1 1 A 68 68 GLY C C 68 171.817 174.108 -2.291 1
1 729 . 5 1 1 A 68 68 GLY CA C 68 44.704 46.529 -1.825 1
1 730 . 5 1 1 A 68 68 GLY N N 68 110.671 114.359 -3.688 1
1 731 . 5 1 1 A 69 69 PRO HA H 69 4.469 4.634 -0.165 1
1 738 . 5 1 1 A 69 69 PRO CA C 69 63.244 62.376 0.868 1
1 739 . 5 1 1 A 69 69 PRO CB C 69 32.208 30.133 2.075 1
1 1 . 6 1 1 A 7 7 GLY HA2 H 7 3.957 4.155 -0.198 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.957 4.168 -0.211 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.124 172.584 1.540 1
1 4 . 6 1 1 A 7 7 GLY CA C 7 45.359 45.821 -0.462 1
1 5 . 6 1 1 A 8 8 ILE H H 8 7.939 8.212 -0.273 1
1 6 . 6 1 1 A 8 8 ILE HA H 8 4.106 4.031 0.075 1
1 16 . 6 1 1 A 8 8 ILE C C 8 176.213 176.531 -0.318 1
1 17 . 6 1 1 A 8 8 ILE CA C 8 61.378 60.733 0.645 1
1 18 . 6 1 1 A 8 8 ILE CB C 8 38.603 39.229 -0.626 1
1 22 . 6 1 1 A 8 8 ILE N N 8 119.652 119.932 -0.280 1
1 23 . 6 1 1 A 9 9 HIS H H 9 8.409 8.649 -0.240 1
1 24 . 6 1 1 A 9 9 HIS C C 9 175.436 175.297 0.139 1
1 25 . 6 1 1 A 9 9 HIS CA C 9 56.065 58.437 -2.372 1
1 26 . 6 1 1 A 9 9 HIS CB C 9 30.677 30.546 0.131 1
1 27 . 6 1 1 A 9 9 HIS N N 9 123.607 123.378 0.229 1
1 28 . 6 1 1 A 10 10 SER HA H 10 4.484 4.142 0.342 1
1 31 . 6 1 1 A 10 10 SER C C 10 174.981 174.085 0.896 1
1 32 . 6 1 1 A 10 10 SER CA C 10 58.621 59.344 -0.723 1
1 33 . 6 1 1 A 10 10 SER CB C 10 63.732 61.760 1.972 1
1 34 . 6 1 1 A 11 11 GLY H H 11 8.447 8.436 0.011 1
1 35 . 6 1 1 A 11 11 GLY HA2 H 11 3.936 4.138 -0.202 1
1 36 . 6 1 1 A 11 11 GLY HA3 H 11 3.936 4.140 -0.204 1
1 37 . 6 1 1 A 11 11 GLY C C 11 174.112 173.590 0.522 1
1 38 . 6 1 1 A 11 11 GLY CA C 11 45.292 45.598 -0.306 1
1 39 . 6 1 1 A 11 11 GLY N N 11 110.887 106.710 4.177 1
1 40 . 6 1 1 A 12 12 GLU H H 12 8.200 8.880 -0.680 1
1 41 . 6 1 1 A 12 12 GLU HA H 12 4.174 3.874 0.300 1
1 46 . 6 1 1 A 12 12 GLU C C 12 176.545 175.760 0.785 1
1 47 . 6 1 1 A 12 12 GLU CA C 12 56.962 57.458 -0.496 1
1 48 . 6 1 1 A 12 12 GLU CB C 12 30.388 27.756 2.632 1
1 50 . 6 1 1 A 12 12 GLU N N 12 120.059 123.302 -3.243 1
1 51 . 6 1 1 A 13 13 LYS H H 13 8.280 7.932 0.348 1
1 52 . 6 1 1 A 13 13 LYS HA H 13 4.434 4.317 0.117 1
1 61 . 6 1 1 A 13 13 LYS C C 13 173.760 176.770 -3.010 1
1 62 . 6 1 1 A 13 13 LYS CA C 13 53.742 55.185 -1.443 1
1 63 . 6 1 1 A 13 13 LYS CB C 13 33.067 32.479 0.588 1
1 67 . 6 1 1 A 13 13 LYS N N 13 121.235 120.085 1.150 1
1 68 . 6 1 1 A 14 14 PRO HA H 14 4.268 4.504 -0.236 1
1 75 . 6 1 1 A 14 14 PRO C C 14 176.391 175.859 0.532 1
1 76 . 6 1 1 A 14 14 PRO CA C 14 63.473 64.369 -0.896 1
1 77 . 6 1 1 A 14 14 PRO CB C 14 32.243 31.633 0.610 1
1 80 . 6 1 1 A 15 15 TYR H H 15 7.898 7.600 0.298 1
1 81 . 6 1 1 A 15 15 TYR HA H 15 4.609 5.129 -0.520 1
1 88 . 6 1 1 A 15 15 TYR C C 15 175.259 175.723 -0.464 1
1 89 . 6 1 1 A 15 15 TYR CA C 15 57.252 56.390 0.862 1
1 90 . 6 1 1 A 15 15 TYR CB C 15 37.800 41.289 -3.489 1
1 95 . 6 1 1 A 15 15 TYR N N 15 118.120 119.040 -0.920 1
1 96 . 6 1 1 A 16 16 GLY H H 16 8.420 8.631 -0.211 1
1 97 . 6 1 1 A 16 16 GLY HA2 H 16 4.634 4.310 0.324 1
1 98 . 6 1 1 A 16 16 GLY HA3 H 16 3.568 4.336 -0.768 1
1 99 . 6 1 1 A 16 16 GLY C C 16 172.667 172.076 0.591 1
1 100 . 6 1 1 A 16 16 GLY CA C 16 44.599 45.534 -0.935 1
1 101 . 6 1 1 A 16 16 GLY N N 16 111.924 109.737 2.187 1
1 102 . 6 1 1 A 17 17 CYS H H 17 9.142 8.539 0.603 1
1 103 . 6 1 1 A 17 17 CYS HA H 17 4.712 5.197 -0.485 1
1 106 . 6 1 1 A 17 17 CYS C C 17 177.696 174.558 3.138 1
1 107 . 6 1 1 A 17 17 CYS CA C 17 58.694 57.228 1.466 1
1 108 . 6 1 1 A 17 17 CYS CB C 17 29.770 30.683 -0.913 1
1 109 . 6 1 1 A 17 17 CYS N N 17 125.008 118.332 6.676 1
1 110 . 6 1 1 A 18 18 VAL H H 18 9.089 8.517 0.572 1
1 111 . 6 1 1 A 18 18 VAL HA H 18 4.003 4.130 -0.127 1
1 119 . 6 1 1 A 18 18 VAL C C 18 176.506 177.629 -1.123 1
1 120 . 6 1 1 A 18 18 VAL CA C 18 64.407 63.782 0.625 1
1 121 . 6 1 1 A 18 18 VAL CB C 18 31.744 33.531 -1.787 1
1 124 . 6 1 1 A 18 18 VAL N N 18 129.598 124.277 5.321 1
1 125 . 6 1 1 A 19 19 GLU H H 19 8.413 7.807 0.606 1
1 126 . 6 1 1 A 19 19 GLU HA H 19 4.187 3.887 0.300 1
1 131 . 6 1 1 A 19 19 GLU C C 19 177.385 177.901 -0.516 1
1 132 . 6 1 1 A 19 19 GLU CA C 19 58.535 59.463 -0.928 1
1 133 . 6 1 1 A 19 19 GLU CB C 19 29.358 28.888 0.470 1
1 135 . 6 1 1 A 19 19 GLU N N 19 121.264 121.941 -0.677 1
1 136 . 6 1 1 A 20 20 CYS H H 20 7.854 7.186 0.668 1
1 137 . 6 1 1 A 20 20 CYS HA H 20 5.142 4.690 0.452 1
1 140 . 6 1 1 A 20 20 CYS C C 20 176.237 175.785 0.452 1
1 141 . 6 1 1 A 20 20 CYS CA C 20 58.341 59.486 -1.145 1
1 142 . 6 1 1 A 20 20 CYS CB C 20 32.531 30.281 2.250 1
1 143 . 6 1 1 A 20 20 CYS N N 20 113.736 114.700 -0.964 1
1 144 . 6 1 1 A 21 21 GLY H H 21 8.281 8.304 -0.023 1
1 145 . 6 1 1 A 21 21 GLY HA2 H 21 4.216 4.020 0.196 1
1 146 . 6 1 1 A 21 21 GLY HA3 H 21 3.784 4.020 -0.236 1
1 147 . 6 1 1 A 21 21 GLY C C 21 174.288 174.197 0.091 1
1 148 . 6 1 1 A 21 21 GLY CA C 21 46.159 45.589 0.570 1
1 149 . 6 1 1 A 21 21 GLY N N 21 113.574 110.269 3.305 1
1 150 . 6 1 1 A 22 22 LYS H H 22 7.891 7.791 0.100 1
1 151 . 6 1 1 A 22 22 LYS HA H 22 3.989 4.201 -0.212 1
1 160 . 6 1 1 A 22 22 LYS C C 22 173.452 174.929 -1.477 1
1 161 . 6 1 1 A 22 22 LYS CA C 22 57.789 54.776 3.013 1
1 162 . 6 1 1 A 22 22 LYS CB C 22 34.125 33.361 0.764 1
1 166 . 6 1 1 A 22 22 LYS N N 22 122.877 119.576 3.301 1
1 167 . 6 1 1 A 23 23 ALA H H 23 7.645 8.667 -1.022 1
1 168 . 6 1 1 A 23 23 ALA HA H 23 4.925 5.272 -0.347 1
1 172 . 6 1 1 A 23 23 ALA C C 23 175.868 175.859 0.009 1
1 173 . 6 1 1 A 23 23 ALA CA C 23 50.523 49.973 0.550 1
1 174 . 6 1 1 A 23 23 ALA CB C 23 22.145 21.325 0.820 1
1 175 . 6 1 1 A 23 23 ALA N N 23 122.280 127.566 -5.286 1
1 176 . 6 1 1 A 24 24 PHE H H 24 8.337 9.144 -0.807 1
1 177 . 6 1 1 A 24 24 PHE HA H 24 4.890 4.974 -0.084 1
1 185 . 6 1 1 A 24 24 PHE C C 24 175.994 176.015 -0.021 1
1 186 . 6 1 1 A 24 24 PHE CA C 24 56.926 56.468 0.458 1
1 187 . 6 1 1 A 24 24 PHE CB C 24 43.626 40.969 2.657 1
1 193 . 6 1 1 A 24 24 PHE N N 24 116.352 118.776 -2.424 1
1 194 . 6 1 1 A 25 25 SER H H 25 9.344 8.761 0.583 1
1 195 . 6 1 1 A 25 25 SER HA H 25 4.612 4.288 0.324 1
1 198 . 6 1 1 A 25 25 SER C C 25 174.148 174.587 -0.439 1
1 199 . 6 1 1 A 25 25 SER CA C 25 60.554 60.527 0.027 1
1 200 . 6 1 1 A 25 25 SER CB C 25 64.329 62.848 1.481 1
1 201 . 6 1 1 A 25 25 SER N N 25 115.148 118.691 -3.543 1
1 202 . 6 1 1 A 26 26 ARG H H 26 7.040 7.865 -0.825 1
1 203 . 6 1 1 A 26 26 ARG HA H 26 4.719 4.646 0.073 1
1 210 . 6 1 1 A 26 26 ARG C C 26 176.116 176.285 -0.169 1
1 211 . 6 1 1 A 26 26 ARG CA C 26 54.417 54.504 -0.087 1
1 212 . 6 1 1 A 26 26 ARG CB C 26 34.587 33.132 1.455 1
1 215 . 6 1 1 A 26 26 ARG N N 26 115.877 121.897 -6.020 1
1 216 . 6 1 1 A 27 27 SER H H 27 8.441 8.823 -0.382 1
1 217 . 6 1 1 A 27 27 SER HA H 27 3.278 4.000 -0.722 1
1 220 . 6 1 1 A 27 27 SER CA C 27 61.160 61.513 -0.353 1
1 221 . 6 1 1 A 27 27 SER CB C 27 61.910 62.000 -0.090 1
1 222 . 6 1 1 A 27 27 SER N N 27 120.683 118.672 2.011 1
1 223 . 6 1 1 A 28 28 SER HA H 28 3.969 4.076 -0.107 1
1 226 . 6 1 1 A 28 28 SER C C 28 176.640 176.148 0.492 1
1 227 . 6 1 1 A 28 28 SER CA C 28 61.029 62.288 -1.259 1
1 228 . 6 1 1 A 28 28 SER CB C 28 61.506 63.001 -1.495 1
1 229 . 6 1 1 A 29 29 ILE H H 29 6.628 7.744 -1.116 1
1 230 . 6 1 1 A 29 29 ILE HA H 29 3.725 3.555 0.170 1
1 240 . 6 1 1 A 29 29 ILE C C 29 178.108 177.581 0.527 1
1 241 . 6 1 1 A 29 29 ILE CA C 29 63.470 64.540 -1.070 1
1 242 . 6 1 1 A 29 29 ILE CB C 29 38.013 37.479 0.534 1
1 246 . 6 1 1 A 29 29 ILE N N 29 122.549 121.247 1.302 1
1 247 . 6 1 1 A 30 30 LEU H H 30 7.003 7.769 -0.766 1
1 248 . 6 1 1 A 30 30 LEU HA H 30 3.511 3.584 -0.073 1
1 258 . 6 1 1 A 30 30 LEU C C 30 177.880 178.609 -0.729 1
1 259 . 6 1 1 A 30 30 LEU CA C 30 58.394 58.195 0.199 1
1 260 . 6 1 1 A 30 30 LEU CB C 30 40.239 41.815 -1.576 1
1 264 . 6 1 1 A 30 30 LEU N N 30 122.518 121.072 1.446 1
1 265 . 6 1 1 A 31 31 VAL H H 31 8.203 8.116 0.087 1
1 266 . 6 1 1 A 31 31 VAL HA H 31 3.709 3.505 0.204 1
1 274 . 6 1 1 A 31 31 VAL C C 31 179.070 177.412 1.658 1
1 275 . 6 1 1 A 31 31 VAL CA C 31 66.618 67.102 -0.484 1
1 276 . 6 1 1 A 31 31 VAL CB C 31 31.624 31.390 0.234 1
1 279 . 6 1 1 A 31 31 VAL N N 31 118.600 119.636 -1.036 1
1 280 . 6 1 1 A 32 32 GLN H H 32 7.323 7.616 -0.293 1
1 281 . 6 1 1 A 32 32 GLN HA H 32 3.927 4.073 -0.146 1
1 288 . 6 1 1 A 32 32 GLN C C 32 178.751 176.853 1.898 1
1 289 . 6 1 1 A 32 32 GLN CA C 32 58.772 58.292 0.480 1
1 290 . 6 1 1 A 32 32 GLN CB C 32 28.368 29.111 -0.743 1
1 292 . 6 1 1 A 32 32 GLN N N 32 118.113 117.984 0.129 1
1 294 . 6 1 1 A 33 33 HIS H H 33 8.046 8.075 -0.029 1
1 295 . 6 1 1 A 33 33 HIS HA H 33 4.148 4.316 -0.168 1
1 300 . 6 1 1 A 33 33 HIS C C 33 176.164 176.842 -0.678 1
1 301 . 6 1 1 A 33 33 HIS CA C 33 59.033 57.836 1.197 1
1 302 . 6 1 1 A 33 33 HIS CB C 33 27.726 30.340 -2.614 1
1 305 . 6 1 1 A 33 33 HIS N N 33 120.097 120.924 -0.827 1
1 306 . 6 1 1 A 34 34 GLN H H 34 8.348 7.807 0.541 1
1 307 . 6 1 1 A 34 34 GLN HA H 34 3.630 4.340 -0.710 1
1 314 . 6 1 1 A 34 34 GLN C C 34 177.457 178.774 -1.317 1
1 315 . 6 1 1 A 34 34 GLN CA C 34 59.367 57.465 1.902 1
1 316 . 6 1 1 A 34 34 GLN CB C 34 28.158 29.696 -1.538 1
1 318 . 6 1 1 A 34 34 GLN N N 34 115.621 117.914 -2.293 1
1 320 . 6 1 1 A 35 35 ARG H H 35 7.167 8.056 -0.889 1
1 321 . 6 1 1 A 35 35 ARG HA H 35 4.094 4.152 -0.058 1
1 328 . 6 1 1 A 35 35 ARG C C 35 178.544 176.457 2.087 1
1 329 . 6 1 1 A 35 35 ARG CA C 35 58.553 58.018 0.535 1
1 330 . 6 1 1 A 35 35 ARG CB C 35 30.016 29.244 0.772 1
1 333 . 6 1 1 A 35 35 ARG N N 35 117.694 119.296 -1.602 1
1 334 . 6 1 1 A 36 36 VAL H H 36 7.878 7.405 0.473 1
1 335 . 6 1 1 A 36 36 VAL HA H 36 3.885 4.066 -0.181 1
1 343 . 6 1 1 A 36 36 VAL C C 36 177.246 176.022 1.224 1
1 344 . 6 1 1 A 36 36 VAL CA C 36 63.924 62.509 1.415 1
1 345 . 6 1 1 A 36 36 VAL CB C 36 31.137 31.595 -0.458 1
1 348 . 6 1 1 A 36 36 VAL N N 36 116.056 116.395 -0.339 1
1 349 . 6 1 1 A 37 37 HIS H H 37 7.151 8.095 -0.944 1
1 350 . 6 1 1 A 37 37 HIS HA H 37 4.877 4.837 0.040 1
1 355 . 6 1 1 A 37 37 HIS C C 37 175.769 175.168 0.601 1
1 356 . 6 1 1 A 37 37 HIS CA C 37 55.034 55.517 -0.483 1
1 357 . 6 1 1 A 37 37 HIS CB C 37 28.415 30.125 -1.710 1
1 360 . 6 1 1 A 37 37 HIS N N 37 117.486 119.387 -1.901 1
1 361 . 6 1 1 A 38 38 THR H H 38 7.769 7.675 0.094 1
1 362 . 6 1 1 A 38 38 THR HA H 38 4.288 4.665 -0.377 1
1 367 . 6 1 1 A 38 38 THR C C 38 175.391 174.612 0.779 1
1 368 . 6 1 1 A 38 38 THR CA C 38 62.697 60.621 2.076 1
1 369 . 6 1 1 A 38 38 THR CB C 38 69.738 69.558 0.180 1
1 371 . 6 1 1 A 38 38 THR N N 38 112.779 110.203 2.576 1
1 372 . 6 1 1 A 39 39 GLY H H 39 8.251 8.547 -0.296 1
1 373 . 6 1 1 A 39 39 GLY HA2 H 39 3.994 4.078 -0.084 1
1 374 . 6 1 1 A 39 39 GLY HA3 H 39 3.920 4.080 -0.160 1
1 375 . 6 1 1 A 39 39 GLY C C 39 174.076 174.419 -0.343 1
1 376 . 6 1 1 A 39 39 GLY CA C 39 45.288 45.739 -0.451 1
1 377 . 6 1 1 A 39 39 GLY N N 39 110.331 113.064 -2.733 1
1 378 . 6 1 1 A 40 40 GLU H H 40 8.076 8.285 -0.209 1
1 379 . 6 1 1 A 40 40 GLU HA H 40 4.139 4.414 -0.275 1
1 384 . 6 1 1 A 40 40 GLU C C 40 176.602 176.660 -0.058 1
1 385 . 6 1 1 A 40 40 GLU CA C 40 56.915 56.936 -0.021 1
1 386 . 6 1 1 A 40 40 GLU CB C 40 30.414 32.566 -2.152 1
1 388 . 6 1 1 A 40 40 GLU N N 40 120.155 117.333 2.822 1
1 389 . 6 1 1 A 41 41 LYS H H 41 8.274 7.642 0.632 1
1 390 . 6 1 1 A 41 41 LYS HA H 41 4.496 5.029 -0.533 1
1 399 . 6 1 1 A 41 41 LYS C C 41 173.906 174.865 -0.959 1
1 400 . 6 1 1 A 41 41 LYS CA C 41 53.865 54.063 -0.198 1
1 401 . 6 1 1 A 41 41 LYS CB C 41 33.372 32.576 0.796 1
1 405 . 6 1 1 A 41 41 LYS N N 41 121.689 118.739 2.950 1
1 406 . 6 1 1 A 42 42 PRO HA H 42 4.253 4.375 -0.122 1
1 413 . 6 1 1 A 42 42 PRO C C 42 176.660 175.881 0.779 1
1 414 . 6 1 1 A 42 42 PRO CA C 42 63.718 64.907 -1.189 1
1 415 . 6 1 1 A 42 42 PRO CB C 42 32.320 31.641 0.679 1
1 418 . 6 1 1 A 43 43 TYR H H 43 7.693 7.555 0.138 1
1 419 . 6 1 1 A 43 43 TYR HA H 43 4.600 4.678 -0.078 1
1 426 . 6 1 1 A 43 43 TYR C C 43 174.460 175.091 -0.631 1
1 427 . 6 1 1 A 43 43 TYR CA C 43 57.722 58.428 -0.706 1
1 428 . 6 1 1 A 43 43 TYR CB C 43 37.840 38.435 -0.595 1
1 433 . 6 1 1 A 43 43 TYR N N 43 118.327 117.989 0.338 1
1 434 . 6 1 1 A 44 44 LYS H H 44 8.335 8.902 -0.567 1
1 435 . 6 1 1 A 44 44 LYS HA H 44 4.826 5.547 -0.721 1
1 444 . 6 1 1 A 44 44 LYS C C 44 174.679 175.704 -1.025 1
1 445 . 6 1 1 A 44 44 LYS CA C 44 55.423 54.460 0.963 1
1 446 . 6 1 1 A 44 44 LYS CB C 44 35.380 35.923 -0.543 1
1 450 . 6 1 1 A 44 44 LYS N N 44 125.187 125.706 -0.519 1
1 451 . 6 1 1 A 45 45 CYS H H 45 9.250 9.355 -0.105 1
1 452 . 6 1 1 A 45 45 CYS HA H 45 4.536 4.783 -0.247 1
1 455 . 6 1 1 A 45 45 CYS C C 45 177.400 175.913 1.487 1
1 456 . 6 1 1 A 45 45 CYS CA C 45 59.384 58.394 0.990 1
1 457 . 6 1 1 A 45 45 CYS CB C 45 29.482 29.297 0.185 1
1 458 . 6 1 1 A 45 45 CYS N N 45 126.431 124.554 1.877 1
1 459 . 6 1 1 A 46 46 LEU H H 46 9.297 8.812 0.485 1
1 460 . 6 1 1 A 46 46 LEU HA H 46 4.192 4.596 -0.404 1
1 470 . 6 1 1 A 46 46 LEU C C 46 177.806 177.433 0.373 1
1 471 . 6 1 1 A 46 46 LEU CA C 46 56.944 54.792 2.152 1
1 472 . 6 1 1 A 46 46 LEU CB C 46 41.269 41.180 0.089 1
1 476 . 6 1 1 A 46 46 LEU N N 46 132.501 128.947 3.554 1
1 477 . 6 1 1 A 47 47 GLU H H 47 8.568 8.295 0.273 1
1 478 . 6 1 1 A 47 47 GLU HA H 47 4.161 4.375 -0.214 1
1 483 . 6 1 1 A 47 47 GLU C C 47 177.358 177.641 -0.283 1
1 484 . 6 1 1 A 47 47 GLU CA C 47 58.545 58.026 0.519 1
1 485 . 6 1 1 A 47 47 GLU CB C 47 29.500 30.307 -0.807 1
1 487 . 6 1 1 A 47 47 GLU N N 47 120.165 119.090 1.075 1
1 488 . 6 1 1 A 48 48 CYS H H 48 7.979 7.948 0.031 1
1 489 . 6 1 1 A 48 48 CYS HA H 48 5.182 4.660 0.522 1
1 492 . 6 1 1 A 48 48 CYS C C 48 176.224 175.318 0.906 1
1 493 . 6 1 1 A 48 48 CYS CA C 48 58.210 59.382 -1.172 1
1 494 . 6 1 1 A 48 48 CYS CB C 48 32.531 29.738 2.793 1
1 495 . 6 1 1 A 48 48 CYS N N 48 114.531 115.608 -1.077 1
1 496 . 6 1 1 A 49 49 GLY H H 49 8.156 8.015 0.141 1
1 497 . 6 1 1 A 49 49 GLY HA2 H 49 4.273 4.099 0.174 1
1 498 . 6 1 1 A 49 49 GLY HA3 H 49 3.771 4.129 -0.358 1
1 499 . 6 1 1 A 49 49 GLY C C 49 173.907 173.140 0.767 1
1 500 . 6 1 1 A 49 49 GLY CA C 49 46.207 45.279 0.928 1
1 501 . 6 1 1 A 49 49 GLY N N 49 113.613 109.027 4.586 1
1 502 . 6 1 1 A 50 50 LYS H H 50 7.961 8.689 -0.728 1
1 503 . 6 1 1 A 50 50 LYS HA H 50 3.936 4.684 -0.748 1
1 512 . 6 1 1 A 50 50 LYS C C 50 173.571 174.011 -0.440 1
1 513 . 6 1 1 A 50 50 LYS CA C 50 58.199 55.475 2.724 1
1 514 . 6 1 1 A 50 50 LYS CB C 50 33.479 36.314 -2.835 1
1 518 . 6 1 1 A 50 50 LYS N N 50 123.259 124.818 -1.559 1
1 519 . 6 1 1 A 51 51 ALA H H 51 7.740 8.519 -0.779 1
1 520 . 6 1 1 A 51 51 ALA HA H 51 5.179 5.681 -0.502 1
1 524 . 6 1 1 A 51 51 ALA C C 51 175.844 176.287 -0.443 1
1 525 . 6 1 1 A 51 51 ALA CA C 51 50.329 50.425 -0.096 1
1 526 . 6 1 1 A 51 51 ALA CB C 51 22.741 21.936 0.805 1
1 527 . 6 1 1 A 51 51 ALA N N 51 123.792 127.572 -3.780 1
1 528 . 6 1 1 A 52 52 PHE H H 52 8.698 8.920 -0.222 1
1 529 . 6 1 1 A 52 52 PHE HA H 52 4.653 4.912 -0.259 1
1 537 . 6 1 1 A 52 52 PHE C C 52 175.640 175.979 -0.339 1
1 538 . 6 1 1 A 52 52 PHE CA C 52 57.636 57.025 0.611 1
1 539 . 6 1 1 A 52 52 PHE CB C 52 43.314 42.523 0.791 1
1 545 . 6 1 1 A 52 52 PHE N N 52 116.792 117.879 -1.087 1
1 546 . 6 1 1 A 53 53 SER H H 53 9.246 8.793 0.453 1
1 547 . 6 1 1 A 53 53 SER HA H 53 4.627 4.662 -0.035 1
1 550 . 6 1 1 A 53 53 SER C C 53 173.837 175.185 -1.348 1
1 551 . 6 1 1 A 53 53 SER CA C 53 60.959 62.101 -1.142 1
1 552 . 6 1 1 A 53 53 SER CB C 53 64.077 63.029 1.048 1
1 553 . 6 1 1 A 53 53 SER N N 53 116.932 117.336 -0.404 1
1 554 . 6 1 1 A 54 54 GLN H H 54 7.873 8.157 -0.284 1
1 555 . 6 1 1 A 54 54 GLN HA H 54 4.774 4.860 -0.086 1
1 562 . 6 1 1 A 54 54 GLN C C 54 176.112 175.650 0.462 1
1 563 . 6 1 1 A 54 54 GLN CA C 54 53.972 54.409 -0.437 1
1 564 . 6 1 1 A 54 54 GLN CB C 54 32.160 31.594 0.566 1
1 566 . 6 1 1 A 54 54 GLN N N 54 116.030 118.299 -2.269 1
1 568 . 6 1 1 A 55 55 ASN H H 55 8.494 8.401 0.093 1
1 569 . 6 1 1 A 55 55 ASN HA H 55 3.540 3.828 -0.288 1
1 574 . 6 1 1 A 55 55 ASN C C 55 177.306 176.553 0.753 1
1 575 . 6 1 1 A 55 55 ASN CA C 55 56.094 55.718 0.376 1
1 576 . 6 1 1 A 55 55 ASN CB C 55 38.260 37.683 0.577 1
1 577 . 6 1 1 A 55 55 ASN N N 55 124.248 122.041 2.207 1
1 579 . 6 1 1 A 56 56 SER HA H 56 3.867 4.116 -0.249 1
1 582 . 6 1 1 A 56 56 SER C C 56 176.822 177.026 -0.204 1
1 583 . 6 1 1 A 56 56 SER CA C 56 60.888 61.142 -0.254 1
1 584 . 6 1 1 A 56 56 SER CB C 56 61.588 62.818 -1.230 1
1 585 . 6 1 1 A 57 57 GLY H H 57 7.104 8.232 -1.128 1
1 586 . 6 1 1 A 57 57 GLY HA2 H 57 3.893 3.746 0.147 1
1 587 . 6 1 1 A 57 57 GLY HA3 H 57 3.718 3.781 -0.063 1
1 588 . 6 1 1 A 57 57 GLY C C 57 175.641 175.449 0.192 1
1 589 . 6 1 1 A 57 57 GLY CA C 57 46.508 46.844 -0.336 1
1 590 . 6 1 1 A 57 57 GLY N N 57 109.816 107.618 2.198 1
1 591 . 6 1 1 A 58 58 LEU H H 58 6.781 7.764 -0.983 1
1 592 . 6 1 1 A 58 58 LEU HA H 58 3.288 2.861 0.427 1
1 602 . 6 1 1 A 58 58 LEU C C 58 177.650 178.212 -0.562 1
1 603 . 6 1 1 A 58 58 LEU CA C 58 57.726 56.481 1.245 1
1 604 . 6 1 1 A 58 58 LEU CB C 58 40.656 41.135 -0.479 1
1 608 . 6 1 1 A 58 58 LEU N N 58 124.058 122.399 1.659 1
1 609 . 6 1 1 A 59 59 ILE H H 59 8.281 8.110 0.171 1
1 610 . 6 1 1 A 59 59 ILE HA H 59 3.686 3.715 -0.029 1
1 620 . 6 1 1 A 59 59 ILE C C 59 179.220 177.781 1.439 1
1 621 . 6 1 1 A 59 59 ILE CA C 59 64.389 65.547 -1.158 1
1 622 . 6 1 1 A 59 59 ILE CB C 59 37.545 37.999 -0.454 1
1 626 . 6 1 1 A 59 59 ILE N N 59 119.575 119.294 0.281 1
1 627 . 6 1 1 A 60 60 ASN H H 60 7.677 7.642 0.035 1
1 628 . 6 1 1 A 60 60 ASN HA H 60 4.326 4.448 -0.122 1
1 633 . 6 1 1 A 60 60 ASN C C 60 177.688 176.981 0.707 1
1 634 . 6 1 1 A 60 60 ASN CA C 60 56.183 55.520 0.663 1
1 635 . 6 1 1 A 60 60 ASN CB C 60 38.549 38.590 -0.041 1
1 636 . 6 1 1 A 60 60 ASN N N 60 116.791 118.695 -1.904 1
1 638 . 6 1 1 A 61 61 HIS H H 61 7.526 7.841 -0.315 1
1 639 . 6 1 1 A 61 61 HIS HA H 61 4.172 4.232 -0.060 1
1 643 . 6 1 1 A 61 61 HIS C C 61 176.063 176.287 -0.224 1
1 644 . 6 1 1 A 61 61 HIS CA C 61 58.924 57.714 1.210 1
1 645 . 6 1 1 A 61 61 HIS CB C 61 29.110 30.285 -1.175 1
1 647 . 6 1 1 A 61 61 HIS N N 61 119.310 119.371 -0.061 1
1 648 . 6 1 1 A 62 62 GLN H H 62 8.345 7.789 0.556 1
1 649 . 6 1 1 A 62 62 GLN HA H 62 3.631 4.091 -0.460 1
1 656 . 6 1 1 A 62 62 GLN C C 62 177.302 178.315 -1.013 1
1 657 . 6 1 1 A 62 62 GLN CA C 62 59.260 56.626 2.634 1
1 658 . 6 1 1 A 62 62 GLN CB C 62 28.161 29.247 -1.086 1
1 660 . 6 1 1 A 62 62 GLN N N 62 115.573 117.633 -2.060 1
1 662 . 6 1 1 A 63 63 ARG H H 63 7.029 7.764 -0.735 1
1 663 . 6 1 1 A 63 63 ARG HA H 63 4.091 4.087 0.004 1
1 670 . 6 1 1 A 63 63 ARG C C 63 178.257 177.803 0.454 1
1 671 . 6 1 1 A 63 63 ARG CA C 63 58.505 58.601 -0.096 1
1 672 . 6 1 1 A 63 63 ARG CB C 63 30.046 29.512 0.534 1
1 675 . 6 1 1 A 63 63 ARG N N 63 117.521 118.665 -1.144 1
1 676 . 6 1 1 A 64 64 ILE H H 64 7.763 7.423 0.340 1
1 677 . 6 1 1 A 64 64 ILE HA H 64 3.988 3.753 0.235 1
1 687 . 6 1 1 A 64 64 ILE C C 64 177.138 177.996 -0.858 1
1 688 . 6 1 1 A 64 64 ILE CA C 64 62.780 64.186 -1.406 1
1 689 . 6 1 1 A 64 64 ILE CB C 64 37.760 37.391 0.369 1
1 693 . 6 1 1 A 64 64 ILE N N 64 115.601 116.185 -0.584 1
1 694 . 6 1 1 A 65 65 HIS H H 65 7.261 7.433 -0.172 1
1 695 . 6 1 1 A 65 65 HIS HA H 65 4.867 4.294 0.573 1
1 700 . 6 1 1 A 65 65 HIS C C 65 175.314 178.493 -3.179 1
1 701 . 6 1 1 A 65 65 HIS CA C 65 54.927 59.900 -4.973 1
1 702 . 6 1 1 A 65 65 HIS CB C 65 28.723 29.428 -0.705 1
1 705 . 6 1 1 A 65 65 HIS N N 65 118.018 120.913 -2.895 1
1 706 . 6 1 1 A 66 66 THR H H 66 7.717 7.676 0.041 1
1 707 . 6 1 1 A 66 66 THR HA H 66 4.433 4.056 0.377 1
1 712 . 6 1 1 A 66 66 THR C C 66 174.569 174.718 -0.149 1
1 713 . 6 1 1 A 66 66 THR CA C 66 61.984 64.520 -2.536 1
1 714 . 6 1 1 A 66 66 THR CB C 66 69.832 68.743 1.089 1
1 716 . 6 1 1 A 66 66 THR N N 66 112.598 113.616 -1.018 1
1 717 . 6 1 1 A 67 67 SER H H 67 8.272 7.245 1.027 1
1 718 . 6 1 1 A 67 67 SER HA H 67 4.540 4.785 -0.245 1
1 721 . 6 1 1 A 67 67 SER C C 67 174.531 173.022 1.509 1
1 722 . 6 1 1 A 67 67 SER CA C 67 58.517 57.781 0.736 1
1 723 . 6 1 1 A 67 67 SER CB C 67 64.041 64.802 -0.761 1
1 724 . 6 1 1 A 67 67 SER N N 67 117.832 115.331 2.501 1
1 725 . 6 1 1 A 68 68 GLY H H 68 8.223 8.330 -0.107 1
1 726 . 6 1 1 A 68 68 GLY HA2 H 68 4.153 4.124 0.029 1
1 727 . 6 1 1 A 68 68 GLY HA3 H 68 4.101 4.132 -0.031 1
1 728 . 6 1 1 A 68 68 GLY C C 68 171.817 172.854 -1.037 1
1 729 . 6 1 1 A 68 68 GLY CA C 68 44.704 44.215 0.489 1
1 730 . 6 1 1 A 68 68 GLY N N 68 110.671 113.440 -2.769 1
1 731 . 6 1 1 A 69 69 PRO HA H 69 4.469 4.773 -0.304 1
1 738 . 6 1 1 A 69 69 PRO CA C 69 63.244 62.238 1.006 1
1 739 . 6 1 1 A 69 69 PRO CB C 69 32.208 30.035 2.173 1
1 1 . 7 1 1 A 7 7 GLY HA2 H 7 3.957 4.094 -0.137 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.957 4.135 -0.178 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.124 172.036 2.088 1
1 4 . 7 1 1 A 7 7 GLY CA C 7 45.359 45.397 -0.038 1
1 5 . 7 1 1 A 8 8 ILE H H 8 7.939 8.756 -0.817 1
1 6 . 7 1 1 A 8 8 ILE HA H 8 4.106 5.179 -1.073 1
1 16 . 7 1 1 A 8 8 ILE C C 8 176.213 174.155 2.058 1
1 17 . 7 1 1 A 8 8 ILE CA C 8 61.378 58.691 2.687 1
1 18 . 7 1 1 A 8 8 ILE CB C 8 38.603 42.594 -3.991 1
1 22 . 7 1 1 A 8 8 ILE N N 8 119.652 121.898 -2.246 1
1 23 . 7 1 1 A 9 9 HIS H H 9 8.409 8.868 -0.459 1
1 24 . 7 1 1 A 9 9 HIS C C 9 175.436 173.950 1.486 1
1 25 . 7 1 1 A 9 9 HIS CA C 9 56.065 54.730 1.335 1
1 26 . 7 1 1 A 9 9 HIS CB C 9 30.677 33.722 -3.045 1
1 27 . 7 1 1 A 9 9 HIS N N 9 123.607 119.840 3.767 1
1 28 . 7 1 1 A 10 10 SER HA H 10 4.484 5.158 -0.674 1
1 31 . 7 1 1 A 10 10 SER C C 10 174.981 173.379 1.602 1
1 32 . 7 1 1 A 10 10 SER CA C 10 58.621 57.038 1.583 1
1 33 . 7 1 1 A 10 10 SER CB C 10 63.732 66.722 -2.990 1
1 34 . 7 1 1 A 11 11 GLY H H 11 8.447 8.744 -0.297 1
1 35 . 7 1 1 A 11 11 GLY HA2 H 11 3.936 4.122 -0.186 1
1 36 . 7 1 1 A 11 11 GLY HA3 H 11 3.936 4.125 -0.189 1
1 37 . 7 1 1 A 11 11 GLY C C 11 174.112 172.586 1.526 1
1 38 . 7 1 1 A 11 11 GLY CA C 11 45.292 44.877 0.415 1
1 39 . 7 1 1 A 11 11 GLY N N 11 110.887 108.093 2.794 1
1 40 . 7 1 1 A 12 12 GLU H H 12 8.200 8.832 -0.632 1
1 41 . 7 1 1 A 12 12 GLU HA H 12 4.174 4.653 -0.479 1
1 46 . 7 1 1 A 12 12 GLU C C 12 176.545 175.043 1.502 1
1 47 . 7 1 1 A 12 12 GLU CA C 12 56.962 56.023 0.939 1
1 48 . 7 1 1 A 12 12 GLU CB C 12 30.388 32.630 -2.242 1
1 50 . 7 1 1 A 12 12 GLU N N 12 120.059 120.611 -0.552 1
1 51 . 7 1 1 A 13 13 LYS H H 13 8.280 8.804 -0.524 1
1 52 . 7 1 1 A 13 13 LYS HA H 13 4.434 3.840 0.594 1
1 61 . 7 1 1 A 13 13 LYS C C 13 173.760 176.740 -2.980 1
1 62 . 7 1 1 A 13 13 LYS CA C 13 53.742 56.870 -3.128 1
1 63 . 7 1 1 A 13 13 LYS CB C 13 33.067 30.297 2.770 1
1 67 . 7 1 1 A 13 13 LYS N N 13 121.235 124.978 -3.743 1
1 68 . 7 1 1 A 14 14 PRO HA H 14 4.268 4.544 -0.276 1
1 75 . 7 1 1 A 14 14 PRO C C 14 176.391 175.868 0.523 1
1 76 . 7 1 1 A 14 14 PRO CA C 14 63.473 64.405 -0.932 1
1 77 . 7 1 1 A 14 14 PRO CB C 14 32.243 31.610 0.633 1
1 80 . 7 1 1 A 15 15 TYR H H 15 7.898 7.228 0.670 1
1 81 . 7 1 1 A 15 15 TYR HA H 15 4.609 5.060 -0.451 1
1 88 . 7 1 1 A 15 15 TYR C C 15 175.259 175.540 -0.281 1
1 89 . 7 1 1 A 15 15 TYR CA C 15 57.252 56.462 0.790 1
1 90 . 7 1 1 A 15 15 TYR CB C 15 37.800 41.058 -3.258 1
1 95 . 7 1 1 A 15 15 TYR N N 15 118.120 119.322 -1.202 1
1 96 . 7 1 1 A 16 16 GLY H H 16 8.420 8.936 -0.516 1
1 97 . 7 1 1 A 16 16 GLY HA2 H 16 4.634 4.495 0.139 1
1 98 . 7 1 1 A 16 16 GLY HA3 H 16 3.568 4.539 -0.971 1
1 99 . 7 1 1 A 16 16 GLY C C 16 172.667 172.626 0.041 1
1 100 . 7 1 1 A 16 16 GLY CA C 16 44.599 44.664 -0.065 1
1 101 . 7 1 1 A 16 16 GLY N N 16 111.924 109.833 2.091 1
1 102 . 7 1 1 A 17 17 CYS H H 17 9.142 9.160 -0.018 1
1 103 . 7 1 1 A 17 17 CYS HA H 17 4.712 4.878 -0.166 1
1 106 . 7 1 1 A 17 17 CYS C C 17 177.696 174.705 2.991 1
1 107 . 7 1 1 A 17 17 CYS CA C 17 58.694 58.591 0.103 1
1 108 . 7 1 1 A 17 17 CYS CB C 17 29.770 29.182 0.588 1
1 109 . 7 1 1 A 17 17 CYS N N 17 125.008 119.328 5.680 1
1 110 . 7 1 1 A 18 18 VAL H H 18 9.089 8.315 0.774 1
1 111 . 7 1 1 A 18 18 VAL HA H 18 4.003 4.157 -0.154 1
1 119 . 7 1 1 A 18 18 VAL C C 18 176.506 177.707 -1.201 1
1 120 . 7 1 1 A 18 18 VAL CA C 18 64.407 63.839 0.568 1
1 121 . 7 1 1 A 18 18 VAL CB C 18 31.744 33.167 -1.423 1
1 124 . 7 1 1 A 18 18 VAL N N 18 129.598 124.487 5.111 1
1 125 . 7 1 1 A 19 19 GLU H H 19 8.413 7.890 0.523 1
1 126 . 7 1 1 A 19 19 GLU HA H 19 4.187 3.829 0.358 1
1 131 . 7 1 1 A 19 19 GLU C C 19 177.385 177.865 -0.480 1
1 132 . 7 1 1 A 19 19 GLU CA C 19 58.535 59.422 -0.887 1
1 133 . 7 1 1 A 19 19 GLU CB C 19 29.358 28.860 0.498 1
1 135 . 7 1 1 A 19 19 GLU N N 19 121.264 121.995 -0.731 1
1 136 . 7 1 1 A 20 20 CYS H H 20 7.854 7.335 0.519 1
1 137 . 7 1 1 A 20 20 CYS HA H 20 5.142 4.721 0.421 1
1 140 . 7 1 1 A 20 20 CYS C C 20 176.237 175.795 0.442 1
1 141 . 7 1 1 A 20 20 CYS CA C 20 58.341 59.436 -1.095 1
1 142 . 7 1 1 A 20 20 CYS CB C 20 32.531 30.182 2.349 1
1 143 . 7 1 1 A 20 20 CYS N N 20 113.736 114.579 -0.843 1
1 144 . 7 1 1 A 21 21 GLY H H 21 8.281 8.166 0.115 1
1 145 . 7 1 1 A 21 21 GLY HA2 H 21 4.216 4.080 0.136 1
1 146 . 7 1 1 A 21 21 GLY HA3 H 21 3.784 4.096 -0.312 1
1 147 . 7 1 1 A 21 21 GLY C C 21 174.288 174.568 -0.280 1
1 148 . 7 1 1 A 21 21 GLY CA C 21 46.159 45.040 1.119 1
1 149 . 7 1 1 A 21 21 GLY N N 21 113.574 110.110 3.464 1
1 150 . 7 1 1 A 22 22 LYS H H 22 7.891 7.437 0.454 1
1 151 . 7 1 1 A 22 22 LYS HA H 22 3.989 4.157 -0.168 1
1 160 . 7 1 1 A 22 22 LYS C C 22 173.452 175.600 -2.148 1
1 161 . 7 1 1 A 22 22 LYS CA C 22 57.789 56.479 1.310 1
1 162 . 7 1 1 A 22 22 LYS CB C 22 34.125 33.008 1.117 1
1 166 . 7 1 1 A 22 22 LYS N N 22 122.877 120.252 2.625 1
1 167 . 7 1 1 A 23 23 ALA H H 23 7.645 8.215 -0.570 1
1 168 . 7 1 1 A 23 23 ALA HA H 23 4.925 5.007 -0.082 1
1 172 . 7 1 1 A 23 23 ALA C C 23 175.868 176.335 -0.467 1
1 173 . 7 1 1 A 23 23 ALA CA C 23 50.523 51.212 -0.689 1
1 174 . 7 1 1 A 23 23 ALA CB C 23 22.145 20.205 1.940 1
1 175 . 7 1 1 A 23 23 ALA N N 23 122.280 127.323 -5.043 1
1 176 . 7 1 1 A 24 24 PHE H H 24 8.337 9.019 -0.682 1
1 177 . 7 1 1 A 24 24 PHE HA H 24 4.890 4.814 0.076 1
1 185 . 7 1 1 A 24 24 PHE C C 24 175.994 175.472 0.522 1
1 186 . 7 1 1 A 24 24 PHE CA C 24 56.926 56.718 0.208 1
1 187 . 7 1 1 A 24 24 PHE CB C 24 43.626 43.001 0.625 1
1 193 . 7 1 1 A 24 24 PHE N N 24 116.352 117.502 -1.150 1
1 194 . 7 1 1 A 25 25 SER H H 25 9.344 8.959 0.385 1
1 195 . 7 1 1 A 25 25 SER HA H 25 4.612 4.411 0.201 1
1 198 . 7 1 1 A 25 25 SER C C 25 174.148 174.017 0.131 1
1 199 . 7 1 1 A 25 25 SER CA C 25 60.554 60.890 -0.336 1
1 200 . 7 1 1 A 25 25 SER CB C 25 64.329 63.717 0.612 1
1 201 . 7 1 1 A 25 25 SER N N 25 115.148 118.325 -3.177 1
1 202 . 7 1 1 A 26 26 ARG H H 26 7.040 7.849 -0.809 1
1 203 . 7 1 1 A 26 26 ARG HA H 26 4.719 4.575 0.144 1
1 210 . 7 1 1 A 26 26 ARG C C 26 176.116 176.277 -0.161 1
1 211 . 7 1 1 A 26 26 ARG CA C 26 54.417 54.039 0.378 1
1 212 . 7 1 1 A 26 26 ARG CB C 26 34.587 32.836 1.751 1
1 215 . 7 1 1 A 26 26 ARG N N 26 115.877 119.183 -3.306 1
1 216 . 7 1 1 A 27 27 SER H H 27 8.441 8.539 -0.098 1
1 217 . 7 1 1 A 27 27 SER HA H 27 3.278 3.607 -0.329 1
1 220 . 7 1 1 A 27 27 SER CA C 27 61.160 61.091 0.069 1
1 221 . 7 1 1 A 27 27 SER CB C 27 61.910 62.352 -0.442 1
1 222 . 7 1 1 A 27 27 SER N N 27 120.683 117.681 3.002 1
1 223 . 7 1 1 A 28 28 SER HA H 28 3.969 4.027 -0.058 1
1 226 . 7 1 1 A 28 28 SER C C 28 176.640 177.067 -0.427 1
1 227 . 7 1 1 A 28 28 SER CA C 28 61.029 61.718 -0.689 1
1 228 . 7 1 1 A 28 28 SER CB C 28 61.506 63.081 -1.575 1
1 229 . 7 1 1 A 29 29 ILE H H 29 6.628 7.729 -1.101 1
1 230 . 7 1 1 A 29 29 ILE HA H 29 3.725 3.619 0.106 1
1 240 . 7 1 1 A 29 29 ILE C C 29 178.108 178.162 -0.054 1
1 241 . 7 1 1 A 29 29 ILE CA C 29 63.470 64.268 -0.798 1
1 242 . 7 1 1 A 29 29 ILE CB C 29 38.013 37.328 0.685 1
1 246 . 7 1 1 A 29 29 ILE N N 29 122.549 120.476 2.073 1
1 247 . 7 1 1 A 30 30 LEU H H 30 7.003 7.870 -0.867 1
1 248 . 7 1 1 A 30 30 LEU HA H 30 3.511 3.059 0.452 1
1 258 . 7 1 1 A 30 30 LEU C C 30 177.880 178.533 -0.653 1
1 259 . 7 1 1 A 30 30 LEU CA C 30 58.394 57.636 0.758 1
1 260 . 7 1 1 A 30 30 LEU CB C 30 40.239 41.842 -1.603 1
1 264 . 7 1 1 A 30 30 LEU N N 30 122.518 121.982 0.536 1
1 265 . 7 1 1 A 31 31 VAL H H 31 8.203 8.078 0.125 1
1 266 . 7 1 1 A 31 31 VAL HA H 31 3.709 3.462 0.247 1
1 274 . 7 1 1 A 31 31 VAL C C 31 179.070 177.321 1.749 1
1 275 . 7 1 1 A 31 31 VAL CA C 31 66.618 66.969 -0.351 1
1 276 . 7 1 1 A 31 31 VAL CB C 31 31.624 31.411 0.213 1
1 279 . 7 1 1 A 31 31 VAL N N 31 118.600 119.554 -0.954 1
1 280 . 7 1 1 A 32 32 GLN H H 32 7.323 8.087 -0.764 1
1 281 . 7 1 1 A 32 32 GLN HA H 32 3.927 4.044 -0.117 1
1 288 . 7 1 1 A 32 32 GLN C C 32 178.751 177.915 0.836 1
1 289 . 7 1 1 A 32 32 GLN CA C 32 58.772 58.425 0.347 1
1 290 . 7 1 1 A 32 32 GLN CB C 32 28.368 28.366 0.002 1
1 292 . 7 1 1 A 32 32 GLN N N 32 118.113 118.137 -0.024 1
1 294 . 7 1 1 A 33 33 HIS H H 33 8.046 7.793 0.253 1
1 295 . 7 1 1 A 33 33 HIS HA H 33 4.148 4.191 -0.043 1
1 300 . 7 1 1 A 33 33 HIS C C 33 176.164 177.097 -0.933 1
1 301 . 7 1 1 A 33 33 HIS CA C 33 59.033 58.090 0.943 1
1 302 . 7 1 1 A 33 33 HIS CB C 33 27.726 30.401 -2.675 1
1 305 . 7 1 1 A 33 33 HIS N N 33 120.097 120.972 -0.875 1
1 306 . 7 1 1 A 34 34 GLN H H 34 8.348 7.937 0.411 1
1 307 . 7 1 1 A 34 34 GLN HA H 34 3.630 4.137 -0.507 1
1 314 . 7 1 1 A 34 34 GLN C C 34 177.457 178.668 -1.211 1
1 315 . 7 1 1 A 34 34 GLN CA C 34 59.367 58.329 1.038 1
1 316 . 7 1 1 A 34 34 GLN CB C 34 28.158 28.616 -0.458 1
1 318 . 7 1 1 A 34 34 GLN N N 34 115.621 118.264 -2.643 1
1 320 . 7 1 1 A 35 35 ARG H H 35 7.167 7.912 -0.745 1
1 321 . 7 1 1 A 35 35 ARG HA H 35 4.094 4.090 0.004 1
1 328 . 7 1 1 A 35 35 ARG C C 35 178.544 177.984 0.560 1
1 329 . 7 1 1 A 35 35 ARG CA C 35 58.553 59.033 -0.480 1
1 330 . 7 1 1 A 35 35 ARG CB C 35 30.016 29.634 0.382 1
1 333 . 7 1 1 A 35 35 ARG N N 35 117.694 118.998 -1.304 1
1 334 . 7 1 1 A 36 36 VAL H H 36 7.878 7.760 0.118 1
1 335 . 7 1 1 A 36 36 VAL HA H 36 3.885 3.737 0.148 1
1 343 . 7 1 1 A 36 36 VAL C C 36 177.246 177.819 -0.573 1
1 344 . 7 1 1 A 36 36 VAL CA C 36 63.924 65.398 -1.474 1
1 345 . 7 1 1 A 36 36 VAL CB C 36 31.137 31.272 -0.135 1
1 348 . 7 1 1 A 36 36 VAL N N 36 116.056 115.474 0.582 1
1 349 . 7 1 1 A 37 37 HIS H H 37 7.151 7.869 -0.718 1
1 350 . 7 1 1 A 37 37 HIS HA H 37 4.877 4.365 0.512 1
1 355 . 7 1 1 A 37 37 HIS C C 37 175.769 176.360 -0.591 1
1 356 . 7 1 1 A 37 37 HIS CA C 37 55.034 58.731 -3.697 1
1 357 . 7 1 1 A 37 37 HIS CB C 37 28.415 29.626 -1.211 1
1 360 . 7 1 1 A 37 37 HIS N N 37 117.486 120.086 -2.600 1
1 361 . 7 1 1 A 38 38 THR H H 38 7.769 7.747 0.022 1
1 362 . 7 1 1 A 38 38 THR HA H 38 4.288 4.096 0.192 1
1 367 . 7 1 1 A 38 38 THR C C 38 175.391 173.767 1.624 1
1 368 . 7 1 1 A 38 38 THR CA C 38 62.697 63.354 -0.657 1
1 369 . 7 1 1 A 38 38 THR CB C 38 69.738 69.258 0.480 1
1 371 . 7 1 1 A 38 38 THR N N 38 112.779 112.856 -0.077 1
1 372 . 7 1 1 A 39 39 GLY H H 39 8.251 8.495 -0.244 1
1 373 . 7 1 1 A 39 39 GLY HA2 H 39 3.994 4.171 -0.177 1
1 374 . 7 1 1 A 39 39 GLY HA3 H 39 3.920 4.179 -0.259 1
1 375 . 7 1 1 A 39 39 GLY C C 39 174.076 173.855 0.221 1
1 376 . 7 1 1 A 39 39 GLY CA C 39 45.288 45.435 -0.147 1
1 377 . 7 1 1 A 39 39 GLY N N 39 110.331 113.847 -3.516 1
1 378 . 7 1 1 A 40 40 GLU H H 40 8.076 8.785 -0.709 1
1 379 . 7 1 1 A 40 40 GLU HA H 40 4.139 4.332 -0.193 1
1 384 . 7 1 1 A 40 40 GLU C C 40 176.602 176.340 0.262 1
1 385 . 7 1 1 A 40 40 GLU CA C 40 56.915 56.234 0.681 1
1 386 . 7 1 1 A 40 40 GLU CB C 40 30.414 29.197 1.217 1
1 388 . 7 1 1 A 40 40 GLU N N 40 120.155 120.172 -0.017 1
1 389 . 7 1 1 A 41 41 LYS H H 41 8.274 7.491 0.783 1
1 390 . 7 1 1 A 41 41 LYS HA H 41 4.496 5.203 -0.707 1
1 399 . 7 1 1 A 41 41 LYS C C 41 173.906 174.925 -1.019 1
1 400 . 7 1 1 A 41 41 LYS CA C 41 53.865 53.884 -0.019 1
1 401 . 7 1 1 A 41 41 LYS CB C 41 33.372 32.907 0.465 1
1 405 . 7 1 1 A 41 41 LYS N N 41 121.689 120.403 1.286 1
1 406 . 7 1 1 A 42 42 PRO HA H 42 4.253 4.487 -0.234 1
1 413 . 7 1 1 A 42 42 PRO C C 42 176.660 175.945 0.715 1
1 414 . 7 1 1 A 42 42 PRO CA C 42 63.718 64.628 -0.910 1
1 415 . 7 1 1 A 42 42 PRO CB C 42 32.320 31.778 0.542 1
1 418 . 7 1 1 A 43 43 TYR H H 43 7.693 7.640 0.053 1
1 419 . 7 1 1 A 43 43 TYR HA H 43 4.600 4.776 -0.176 1
1 426 . 7 1 1 A 43 43 TYR C C 43 174.460 175.114 -0.654 1
1 427 . 7 1 1 A 43 43 TYR CA C 43 57.722 57.772 -0.050 1
1 428 . 7 1 1 A 43 43 TYR CB C 43 37.840 39.215 -1.375 1
1 433 . 7 1 1 A 43 43 TYR N N 43 118.327 117.894 0.433 1
1 434 . 7 1 1 A 44 44 LYS H H 44 8.335 9.008 -0.673 1
1 435 . 7 1 1 A 44 44 LYS HA H 44 4.826 5.623 -0.797 1
1 444 . 7 1 1 A 44 44 LYS C C 44 174.679 175.064 -0.385 1
1 445 . 7 1 1 A 44 44 LYS CA C 44 55.423 54.374 1.049 1
1 446 . 7 1 1 A 44 44 LYS CB C 44 35.380 36.065 -0.685 1
1 450 . 7 1 1 A 44 44 LYS N N 44 125.187 125.704 -0.517 1
1 451 . 7 1 1 A 45 45 CYS H H 45 9.250 9.336 -0.086 1
1 452 . 7 1 1 A 45 45 CYS HA H 45 4.536 4.818 -0.282 1
1 455 . 7 1 1 A 45 45 CYS C C 45 177.400 174.992 2.408 1
1 456 . 7 1 1 A 45 45 CYS CA C 45 59.384 58.406 0.978 1
1 457 . 7 1 1 A 45 45 CYS CB C 45 29.482 29.766 -0.284 1
1 458 . 7 1 1 A 45 45 CYS N N 45 126.431 124.139 2.292 1
1 459 . 7 1 1 A 46 46 LEU H H 46 9.297 8.326 0.971 1
1 460 . 7 1 1 A 46 46 LEU HA H 46 4.192 4.402 -0.210 1
1 470 . 7 1 1 A 46 46 LEU C C 46 177.806 178.280 -0.474 1
1 471 . 7 1 1 A 46 46 LEU CA C 46 56.944 54.900 2.044 1
1 472 . 7 1 1 A 46 46 LEU CB C 46 41.269 42.423 -1.154 1
1 476 . 7 1 1 A 46 46 LEU N N 46 132.501 129.320 3.181 1
1 477 . 7 1 1 A 47 47 GLU H H 47 8.568 7.575 0.993 1
1 478 . 7 1 1 A 47 47 GLU HA H 47 4.161 4.116 0.045 1
1 483 . 7 1 1 A 47 47 GLU C C 47 177.358 177.710 -0.352 1
1 484 . 7 1 1 A 47 47 GLU CA C 47 58.545 59.071 -0.526 1
1 485 . 7 1 1 A 47 47 GLU CB C 47 29.500 29.840 -0.340 1
1 487 . 7 1 1 A 47 47 GLU N N 47 120.165 120.344 -0.179 1
1 488 . 7 1 1 A 48 48 CYS H H 48 7.979 7.497 0.482 1
1 489 . 7 1 1 A 48 48 CYS HA H 48 5.182 4.540 0.642 1
1 492 . 7 1 1 A 48 48 CYS C C 48 176.224 175.291 0.933 1
1 493 . 7 1 1 A 48 48 CYS CA C 48 58.210 59.475 -1.265 1
1 494 . 7 1 1 A 48 48 CYS CB C 48 32.531 29.655 2.876 1
1 495 . 7 1 1 A 48 48 CYS N N 48 114.531 115.516 -0.985 1
1 496 . 7 1 1 A 49 49 GLY H H 49 8.156 7.964 0.192 1
1 497 . 7 1 1 A 49 49 GLY HA2 H 49 4.273 4.086 0.187 1
1 498 . 7 1 1 A 49 49 GLY HA3 H 49 3.771 4.114 -0.343 1
1 499 . 7 1 1 A 49 49 GLY C C 49 173.907 172.615 1.292 1
1 500 . 7 1 1 A 49 49 GLY CA C 49 46.207 45.012 1.195 1
1 501 . 7 1 1 A 49 49 GLY N N 49 113.613 108.764 4.849 1
1 502 . 7 1 1 A 50 50 LYS H H 50 7.961 8.738 -0.777 1
1 503 . 7 1 1 A 50 50 LYS HA H 50 3.936 4.721 -0.785 1
1 512 . 7 1 1 A 50 50 LYS C C 50 173.571 173.820 -0.249 1
1 513 . 7 1 1 A 50 50 LYS CA C 50 58.199 55.298 2.901 1
1 514 . 7 1 1 A 50 50 LYS CB C 50 33.479 36.304 -2.825 1
1 518 . 7 1 1 A 50 50 LYS N N 50 123.259 125.355 -2.096 1
1 519 . 7 1 1 A 51 51 ALA H H 51 7.740 8.270 -0.530 1
1 520 . 7 1 1 A 51 51 ALA HA H 51 5.179 5.559 -0.380 1
1 524 . 7 1 1 A 51 51 ALA C C 51 175.844 176.080 -0.236 1
1 525 . 7 1 1 A 51 51 ALA CA C 51 50.329 49.742 0.587 1
1 526 . 7 1 1 A 51 51 ALA CB C 51 22.741 22.778 -0.037 1
1 527 . 7 1 1 A 51 51 ALA N N 51 123.792 126.605 -2.813 1
1 528 . 7 1 1 A 52 52 PHE H H 52 8.698 8.806 -0.108 1
1 529 . 7 1 1 A 52 52 PHE HA H 52 4.653 4.892 -0.239 1
1 537 . 7 1 1 A 52 52 PHE C C 52 175.640 175.927 -0.287 1
1 538 . 7 1 1 A 52 52 PHE CA C 52 57.636 57.008 0.628 1
1 539 . 7 1 1 A 52 52 PHE CB C 52 43.314 42.875 0.439 1
1 545 . 7 1 1 A 52 52 PHE N N 52 116.792 117.902 -1.110 1
1 546 . 7 1 1 A 53 53 SER H H 53 9.246 8.684 0.562 1
1 547 . 7 1 1 A 53 53 SER HA H 53 4.627 4.882 -0.255 1
1 550 . 7 1 1 A 53 53 SER C C 53 173.837 175.022 -1.185 1
1 551 . 7 1 1 A 53 53 SER CA C 53 60.959 61.558 -0.599 1
1 552 . 7 1 1 A 53 53 SER CB C 53 64.077 63.442 0.635 1
1 553 . 7 1 1 A 53 53 SER N N 53 116.932 116.846 0.086 1
1 554 . 7 1 1 A 54 54 GLN H H 54 7.873 8.074 -0.201 1
1 555 . 7 1 1 A 54 54 GLN HA H 54 4.774 4.688 0.086 1
1 562 . 7 1 1 A 54 54 GLN C C 54 176.112 175.433 0.679 1
1 563 . 7 1 1 A 54 54 GLN CA C 54 53.972 54.485 -0.513 1
1 564 . 7 1 1 A 54 54 GLN CB C 54 32.160 31.642 0.518 1
1 566 . 7 1 1 A 54 54 GLN N N 54 116.030 118.446 -2.416 1
1 568 . 7 1 1 A 55 55 ASN H H 55 8.494 8.155 0.339 1
1 569 . 7 1 1 A 55 55 ASN HA H 55 3.540 3.818 -0.278 1
1 574 . 7 1 1 A 55 55 ASN C C 55 177.306 176.657 0.649 1
1 575 . 7 1 1 A 55 55 ASN CA C 55 56.094 56.307 -0.213 1
1 576 . 7 1 1 A 55 55 ASN CB C 55 38.260 37.828 0.432 1
1 577 . 7 1 1 A 55 55 ASN N N 55 124.248 121.974 2.274 1
1 579 . 7 1 1 A 56 56 SER HA H 56 3.867 4.105 -0.238 1
1 582 . 7 1 1 A 56 56 SER C C 56 176.822 176.839 -0.017 1
1 583 . 7 1 1 A 56 56 SER CA C 56 60.888 61.196 -0.308 1
1 584 . 7 1 1 A 56 56 SER CB C 56 61.588 62.793 -1.205 1
1 585 . 7 1 1 A 57 57 GLY H H 57 7.104 8.255 -1.151 1
1 586 . 7 1 1 A 57 57 GLY HA2 H 57 3.893 3.670 0.223 1
1 587 . 7 1 1 A 57 57 GLY HA3 H 57 3.718 3.698 0.020 1
1 588 . 7 1 1 A 57 57 GLY C C 57 175.641 175.240 0.401 1
1 589 . 7 1 1 A 57 57 GLY CA C 57 46.508 46.874 -0.366 1
1 590 . 7 1 1 A 57 57 GLY N N 57 109.816 107.258 2.558 1
1 591 . 7 1 1 A 58 58 LEU H H 58 6.781 7.545 -0.764 1
1 592 . 7 1 1 A 58 58 LEU HA H 58 3.288 2.373 0.915 1
1 602 . 7 1 1 A 58 58 LEU C C 58 177.650 178.005 -0.355 1
1 603 . 7 1 1 A 58 58 LEU CA C 58 57.726 56.554 1.172 1
1 604 . 7 1 1 A 58 58 LEU CB C 58 40.656 41.208 -0.552 1
1 608 . 7 1 1 A 58 58 LEU N N 58 124.058 121.970 2.088 1
1 609 . 7 1 1 A 59 59 ILE H H 59 8.281 8.190 0.091 1
1 610 . 7 1 1 A 59 59 ILE HA H 59 3.686 3.400 0.286 1
1 620 . 7 1 1 A 59 59 ILE C C 59 179.220 177.946 1.274 1
1 621 . 7 1 1 A 59 59 ILE CA C 59 64.389 65.283 -0.894 1
1 622 . 7 1 1 A 59 59 ILE CB C 59 37.545 37.661 -0.116 1
1 626 . 7 1 1 A 59 59 ILE N N 59 119.575 119.929 -0.354 1
1 627 . 7 1 1 A 60 60 ASN H H 60 7.677 7.677 0.000 1
1 628 . 7 1 1 A 60 60 ASN HA H 60 4.326 4.409 -0.083 1
1 633 . 7 1 1 A 60 60 ASN C C 60 177.688 177.135 0.553 1
1 634 . 7 1 1 A 60 60 ASN CA C 60 56.183 56.059 0.124 1
1 635 . 7 1 1 A 60 60 ASN CB C 60 38.549 39.050 -0.501 1
1 636 . 7 1 1 A 60 60 ASN N N 60 116.791 118.825 -2.034 1
1 638 . 7 1 1 A 61 61 HIS H H 61 7.526 7.626 -0.100 1
1 639 . 7 1 1 A 61 61 HIS HA H 61 4.172 4.144 0.028 1
1 643 . 7 1 1 A 61 61 HIS C C 61 176.063 176.797 -0.734 1
1 644 . 7 1 1 A 61 61 HIS CA C 61 58.924 57.944 0.980 1
1 645 . 7 1 1 A 61 61 HIS CB C 61 29.110 30.392 -1.282 1
1 647 . 7 1 1 A 61 61 HIS N N 61 119.310 118.650 0.660 1
1 648 . 7 1 1 A 62 62 GLN H H 62 8.345 7.992 0.353 1
1 649 . 7 1 1 A 62 62 GLN HA H 62 3.631 4.183 -0.552 1
1 656 . 7 1 1 A 62 62 GLN C C 62 177.302 178.387 -1.085 1
1 657 . 7 1 1 A 62 62 GLN CA C 62 59.260 57.386 1.874 1
1 658 . 7 1 1 A 62 62 GLN CB C 62 28.161 29.417 -1.256 1
1 660 . 7 1 1 A 62 62 GLN N N 62 115.573 118.071 -2.498 1
1 662 . 7 1 1 A 63 63 ARG H H 63 7.029 7.938 -0.909 1
1 663 . 7 1 1 A 63 63 ARG HA H 63 4.091 4.036 0.055 1
1 670 . 7 1 1 A 63 63 ARG C C 63 178.257 177.752 0.505 1
1 671 . 7 1 1 A 63 63 ARG CA C 63 58.505 58.579 -0.074 1
1 672 . 7 1 1 A 63 63 ARG CB C 63 30.046 29.566 0.480 1
1 675 . 7 1 1 A 63 63 ARG N N 63 117.521 118.613 -1.092 1
1 676 . 7 1 1 A 64 64 ILE H H 64 7.763 7.384 0.379 1
1 677 . 7 1 1 A 64 64 ILE HA H 64 3.988 3.729 0.259 1
1 687 . 7 1 1 A 64 64 ILE C C 64 177.138 177.920 -0.782 1
1 688 . 7 1 1 A 64 64 ILE CA C 64 62.780 64.267 -1.487 1
1 689 . 7 1 1 A 64 64 ILE CB C 64 37.760 37.361 0.399 1
1 693 . 7 1 1 A 64 64 ILE N N 64 115.601 116.114 -0.513 1
1 694 . 7 1 1 A 65 65 HIS H H 65 7.261 6.983 0.278 1
1 695 . 7 1 1 A 65 65 HIS HA H 65 4.867 4.280 0.587 1
1 700 . 7 1 1 A 65 65 HIS C C 65 175.314 178.082 -2.768 1
1 701 . 7 1 1 A 65 65 HIS CA C 65 54.927 59.832 -4.905 1
1 702 . 7 1 1 A 65 65 HIS CB C 65 28.723 29.276 -0.553 1
1 705 . 7 1 1 A 65 65 HIS N N 65 118.018 121.260 -3.242 1
1 706 . 7 1 1 A 66 66 THR H H 66 7.717 8.164 -0.447 1
1 707 . 7 1 1 A 66 66 THR HA H 66 4.433 4.128 0.305 1
1 712 . 7 1 1 A 66 66 THR C C 66 174.569 177.084 -2.515 1
1 713 . 7 1 1 A 66 66 THR CA C 66 61.984 65.222 -3.238 1
1 714 . 7 1 1 A 66 66 THR CB C 66 69.832 68.326 1.506 1
1 716 . 7 1 1 A 66 66 THR N N 66 112.598 113.071 -0.473 1
1 717 . 7 1 1 A 67 67 SER H H 67 8.272 7.780 0.492 1
1 718 . 7 1 1 A 67 67 SER HA H 67 4.540 4.162 0.378 1
1 721 . 7 1 1 A 67 67 SER C C 67 174.531 176.221 -1.690 1
1 722 . 7 1 1 A 67 67 SER CA C 67 58.517 62.379 -3.862 1
1 723 . 7 1 1 A 67 67 SER CB C 67 64.041 62.462 1.579 1
1 724 . 7 1 1 A 67 67 SER N N 67 117.832 118.404 -0.572 1
1 725 . 7 1 1 A 68 68 GLY H H 68 8.223 7.347 0.876 1
1 726 . 7 1 1 A 68 68 GLY HA2 H 68 4.153 4.023 0.130 1
1 727 . 7 1 1 A 68 68 GLY HA3 H 68 4.101 4.033 0.068 1
1 728 . 7 1 1 A 68 68 GLY C C 68 171.817 173.133 -1.316 1
1 729 . 7 1 1 A 68 68 GLY CA C 68 44.704 45.128 -0.424 1
1 730 . 7 1 1 A 68 68 GLY N N 68 110.671 109.331 1.340 1
1 731 . 7 1 1 A 69 69 PRO HA H 69 4.469 4.384 0.085 1
1 738 . 7 1 1 A 69 69 PRO CA C 69 63.244 63.339 -0.095 1
1 739 . 7 1 1 A 69 69 PRO CB C 69 32.208 31.291 0.917 1
1 1 . 8 1 1 A 7 7 GLY HA2 H 7 3.957 4.222 -0.265 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.957 4.227 -0.270 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.124 172.462 1.662 1
1 4 . 8 1 1 A 7 7 GLY CA C 7 45.359 45.835 -0.476 1
1 5 . 8 1 1 A 8 8 ILE H H 8 7.939 9.039 -1.100 1
1 6 . 8 1 1 A 8 8 ILE HA H 8 4.106 5.082 -0.976 1
1 16 . 8 1 1 A 8 8 ILE C C 8 176.213 175.068 1.145 1
1 17 . 8 1 1 A 8 8 ILE CA C 8 61.378 58.786 2.592 1
1 18 . 8 1 1 A 8 8 ILE CB C 8 38.603 40.640 -2.037 1
1 22 . 8 1 1 A 8 8 ILE N N 8 119.652 121.423 -1.771 1
1 23 . 8 1 1 A 9 9 HIS H H 9 8.409 8.735 -0.326 1
1 24 . 8 1 1 A 9 9 HIS C C 9 175.436 172.022 3.414 1
1 25 . 8 1 1 A 9 9 HIS CA C 9 56.065 54.610 1.455 1
1 26 . 8 1 1 A 9 9 HIS CB C 9 30.677 32.137 -1.460 1
1 27 . 8 1 1 A 9 9 HIS N N 9 123.607 118.726 4.881 1
1 28 . 8 1 1 A 10 10 SER HA H 10 4.484 4.926 -0.442 1
1 31 . 8 1 1 A 10 10 SER C C 10 174.981 174.368 0.613 1
1 32 . 8 1 1 A 10 10 SER CA C 10 58.621 57.262 1.359 1
1 33 . 8 1 1 A 10 10 SER CB C 10 63.732 64.322 -0.590 1
1 34 . 8 1 1 A 11 11 GLY H H 11 8.447 8.782 -0.335 1
1 35 . 8 1 1 A 11 11 GLY HA2 H 11 3.936 4.055 -0.119 1
1 36 . 8 1 1 A 11 11 GLY HA3 H 11 3.936 4.071 -0.135 1
1 37 . 8 1 1 A 11 11 GLY C C 11 174.112 172.172 1.940 1
1 38 . 8 1 1 A 11 11 GLY CA C 11 45.292 44.977 0.315 1
1 39 . 8 1 1 A 11 11 GLY N N 11 110.887 113.491 -2.604 1
1 40 . 8 1 1 A 12 12 GLU H H 12 8.200 8.582 -0.382 1
1 41 . 8 1 1 A 12 12 GLU HA H 12 4.174 4.682 -0.508 1
1 46 . 8 1 1 A 12 12 GLU C C 12 176.545 174.850 1.695 1
1 47 . 8 1 1 A 12 12 GLU CA C 12 56.962 55.325 1.637 1
1 48 . 8 1 1 A 12 12 GLU CB C 12 30.388 33.576 -3.188 1
1 50 . 8 1 1 A 12 12 GLU N N 12 120.059 121.172 -1.113 1
1 51 . 8 1 1 A 13 13 LYS H H 13 8.280 8.415 -0.135 1
1 52 . 8 1 1 A 13 13 LYS HA H 13 4.434 4.204 0.230 1
1 61 . 8 1 1 A 13 13 LYS C C 13 173.760 176.731 -2.971 1
1 62 . 8 1 1 A 13 13 LYS CA C 13 53.742 55.151 -1.409 1
1 63 . 8 1 1 A 13 13 LYS CB C 13 33.067 32.467 0.600 1
1 67 . 8 1 1 A 13 13 LYS N N 13 121.235 126.203 -4.968 1
1 68 . 8 1 1 A 14 14 PRO HA H 14 4.268 4.439 -0.171 1
1 75 . 8 1 1 A 14 14 PRO C C 14 176.391 175.707 0.684 1
1 76 . 8 1 1 A 14 14 PRO CA C 14 63.473 64.210 -0.737 1
1 77 . 8 1 1 A 14 14 PRO CB C 14 32.243 31.599 0.644 1
1 80 . 8 1 1 A 15 15 TYR H H 15 7.898 7.560 0.338 1
1 81 . 8 1 1 A 15 15 TYR HA H 15 4.609 5.157 -0.548 1
1 88 . 8 1 1 A 15 15 TYR C C 15 175.259 175.717 -0.458 1
1 89 . 8 1 1 A 15 15 TYR CA C 15 57.252 56.169 1.083 1
1 90 . 8 1 1 A 15 15 TYR CB C 15 37.800 41.330 -3.530 1
1 95 . 8 1 1 A 15 15 TYR N N 15 118.120 119.396 -1.276 1
1 96 . 8 1 1 A 16 16 GLY H H 16 8.420 8.821 -0.401 1
1 97 . 8 1 1 A 16 16 GLY HA2 H 16 4.634 4.456 0.178 1
1 98 . 8 1 1 A 16 16 GLY HA3 H 16 3.568 4.461 -0.893 1
1 99 . 8 1 1 A 16 16 GLY C C 16 172.667 172.030 0.637 1
1 100 . 8 1 1 A 16 16 GLY CA C 16 44.599 45.026 -0.427 1
1 101 . 8 1 1 A 16 16 GLY N N 16 111.924 109.365 2.559 1
1 102 . 8 1 1 A 17 17 CYS H H 17 9.142 8.809 0.333 1
1 103 . 8 1 1 A 17 17 CYS HA H 17 4.712 4.797 -0.085 1
1 106 . 8 1 1 A 17 17 CYS C C 17 177.696 174.722 2.974 1
1 107 . 8 1 1 A 17 17 CYS CA C 17 58.694 57.511 1.183 1
1 108 . 8 1 1 A 17 17 CYS CB C 17 29.770 27.662 2.108 1
1 109 . 8 1 1 A 17 17 CYS N N 17 125.008 119.157 5.851 1
1 110 . 8 1 1 A 18 18 VAL H H 18 9.089 8.476 0.613 1
1 111 . 8 1 1 A 18 18 VAL HA H 18 4.003 3.898 0.105 1
1 119 . 8 1 1 A 18 18 VAL C C 18 176.506 177.234 -0.728 1
1 120 . 8 1 1 A 18 18 VAL CA C 18 64.407 65.121 -0.714 1
1 121 . 8 1 1 A 18 18 VAL CB C 18 31.744 31.750 -0.006 1
1 124 . 8 1 1 A 18 18 VAL N N 18 129.598 127.553 2.045 1
1 125 . 8 1 1 A 19 19 GLU H H 19 8.413 8.496 -0.083 1
1 126 . 8 1 1 A 19 19 GLU HA H 19 4.187 3.861 0.326 1
1 131 . 8 1 1 A 19 19 GLU C C 19 177.385 178.368 -0.983 1
1 132 . 8 1 1 A 19 19 GLU CA C 19 58.535 59.382 -0.847 1
1 133 . 8 1 1 A 19 19 GLU CB C 19 29.358 28.671 0.687 1
1 135 . 8 1 1 A 19 19 GLU N N 19 121.264 121.859 -0.595 1
1 136 . 8 1 1 A 20 20 CYS H H 20 7.854 7.902 -0.048 1
1 137 . 8 1 1 A 20 20 CYS HA H 20 5.142 4.710 0.432 1
1 140 . 8 1 1 A 20 20 CYS C C 20 176.237 175.648 0.589 1
1 141 . 8 1 1 A 20 20 CYS CA C 20 58.341 59.651 -1.310 1
1 142 . 8 1 1 A 20 20 CYS CB C 20 32.531 30.029 2.502 1
1 143 . 8 1 1 A 20 20 CYS N N 20 113.736 114.802 -1.066 1
1 144 . 8 1 1 A 21 21 GLY H H 21 8.281 8.437 -0.156 1
1 145 . 8 1 1 A 21 21 GLY HA2 H 21 4.216 4.073 0.143 1
1 146 . 8 1 1 A 21 21 GLY HA3 H 21 3.784 4.077 -0.293 1
1 147 . 8 1 1 A 21 21 GLY C C 21 174.288 174.420 -0.132 1
1 148 . 8 1 1 A 21 21 GLY CA C 21 46.159 44.915 1.244 1
1 149 . 8 1 1 A 21 21 GLY N N 21 113.574 109.842 3.732 1
1 150 . 8 1 1 A 22 22 LYS H H 22 7.891 7.309 0.582 1
1 151 . 8 1 1 A 22 22 LYS HA H 22 3.989 4.089 -0.100 1
1 160 . 8 1 1 A 22 22 LYS C C 22 173.452 175.065 -1.613 1
1 161 . 8 1 1 A 22 22 LYS CA C 22 57.789 56.310 1.479 1
1 162 . 8 1 1 A 22 22 LYS CB C 22 34.125 32.871 1.254 1
1 166 . 8 1 1 A 22 22 LYS N N 22 122.877 120.160 2.717 1
1 167 . 8 1 1 A 23 23 ALA H H 23 7.645 8.382 -0.737 1
1 168 . 8 1 1 A 23 23 ALA HA H 23 4.925 5.567 -0.642 1
1 172 . 8 1 1 A 23 23 ALA C C 23 175.868 175.649 0.219 1
1 173 . 8 1 1 A 23 23 ALA CA C 23 50.523 49.854 0.669 1
1 174 . 8 1 1 A 23 23 ALA CB C 23 22.145 21.765 0.380 1
1 175 . 8 1 1 A 23 23 ALA N N 23 122.280 126.721 -4.441 1
1 176 . 8 1 1 A 24 24 PHE H H 24 8.337 8.600 -0.263 1
1 177 . 8 1 1 A 24 24 PHE HA H 24 4.890 4.969 -0.079 1
1 185 . 8 1 1 A 24 24 PHE C C 24 175.994 176.028 -0.034 1
1 186 . 8 1 1 A 24 24 PHE CA C 24 56.926 56.419 0.507 1
1 187 . 8 1 1 A 24 24 PHE CB C 24 43.626 40.969 2.657 1
1 193 . 8 1 1 A 24 24 PHE N N 24 116.352 119.641 -3.289 1
1 194 . 8 1 1 A 25 25 SER H H 25 9.344 8.821 0.523 1
1 195 . 8 1 1 A 25 25 SER HA H 25 4.612 4.341 0.271 1
1 198 . 8 1 1 A 25 25 SER C C 25 174.148 174.755 -0.607 1
1 199 . 8 1 1 A 25 25 SER CA C 25 60.554 60.862 -0.308 1
1 200 . 8 1 1 A 25 25 SER CB C 25 64.329 62.835 1.494 1
1 201 . 8 1 1 A 25 25 SER N N 25 115.148 118.722 -3.574 1
1 202 . 8 1 1 A 26 26 ARG H H 26 7.040 7.896 -0.856 1
1 203 . 8 1 1 A 26 26 ARG HA H 26 4.719 4.640 0.079 1
1 210 . 8 1 1 A 26 26 ARG C C 26 176.116 176.359 -0.243 1
1 211 . 8 1 1 A 26 26 ARG CA C 26 54.417 54.428 -0.011 1
1 212 . 8 1 1 A 26 26 ARG CB C 26 34.587 33.097 1.490 1
1 215 . 8 1 1 A 26 26 ARG N N 26 115.877 121.950 -6.073 1
1 216 . 8 1 1 A 27 27 SER H H 27 8.441 8.639 -0.198 1
1 217 . 8 1 1 A 27 27 SER HA H 27 3.278 3.640 -0.362 1
1 220 . 8 1 1 A 27 27 SER CA C 27 61.160 61.306 -0.146 1
1 221 . 8 1 1 A 27 27 SER CB C 27 61.910 62.016 -0.106 1
1 222 . 8 1 1 A 27 27 SER N N 27 120.683 118.111 2.572 1
1 223 . 8 1 1 A 28 28 SER HA H 28 3.969 4.193 -0.224 1
1 226 . 8 1 1 A 28 28 SER C C 28 176.640 177.133 -0.493 1
1 227 . 8 1 1 A 28 28 SER CA C 28 61.029 61.586 -0.557 1
1 228 . 8 1 1 A 28 28 SER CB C 28 61.506 62.432 -0.926 1
1 229 . 8 1 1 A 29 29 ILE H H 29 6.628 7.702 -1.074 1
1 230 . 8 1 1 A 29 29 ILE HA H 29 3.725 3.454 0.271 1
1 240 . 8 1 1 A 29 29 ILE C C 29 178.108 176.894 1.214 1
1 241 . 8 1 1 A 29 29 ILE CA C 29 63.470 64.686 -1.216 1
1 242 . 8 1 1 A 29 29 ILE CB C 29 38.013 37.442 0.571 1
1 246 . 8 1 1 A 29 29 ILE N N 29 122.549 123.040 -0.491 1
1 247 . 8 1 1 A 30 30 LEU H H 30 7.003 7.979 -0.976 1
1 248 . 8 1 1 A 30 30 LEU HA H 30 3.511 3.700 -0.189 1
1 258 . 8 1 1 A 30 30 LEU C C 30 177.880 178.685 -0.805 1
1 259 . 8 1 1 A 30 30 LEU CA C 30 58.394 58.364 0.030 1
1 260 . 8 1 1 A 30 30 LEU CB C 30 40.239 42.248 -2.009 1
1 264 . 8 1 1 A 30 30 LEU N N 30 122.518 121.295 1.223 1
1 265 . 8 1 1 A 31 31 VAL H H 31 8.203 7.999 0.204 1
1 266 . 8 1 1 A 31 31 VAL HA H 31 3.709 3.808 -0.099 1
1 274 . 8 1 1 A 31 31 VAL C C 31 179.070 177.377 1.693 1
1 275 . 8 1 1 A 31 31 VAL CA C 31 66.618 67.102 -0.484 1
1 276 . 8 1 1 A 31 31 VAL CB C 31 31.624 31.352 0.272 1
1 279 . 8 1 1 A 31 31 VAL N N 31 118.600 119.536 -0.936 1
1 280 . 8 1 1 A 32 32 GLN H H 32 7.323 7.817 -0.494 1
1 281 . 8 1 1 A 32 32 GLN HA H 32 3.927 4.035 -0.108 1
1 288 . 8 1 1 A 32 32 GLN C C 32 178.751 177.222 1.529 1
1 289 . 8 1 1 A 32 32 GLN CA C 32 58.772 58.474 0.298 1
1 290 . 8 1 1 A 32 32 GLN CB C 32 28.368 28.619 -0.251 1
1 292 . 8 1 1 A 32 32 GLN N N 32 118.113 118.314 -0.201 1
1 294 . 8 1 1 A 33 33 HIS H H 33 8.046 8.122 -0.076 1
1 295 . 8 1 1 A 33 33 HIS HA H 33 4.148 4.261 -0.113 1
1 300 . 8 1 1 A 33 33 HIS C C 33 176.164 177.233 -1.069 1
1 301 . 8 1 1 A 33 33 HIS CA C 33 59.033 57.937 1.096 1
1 302 . 8 1 1 A 33 33 HIS CB C 33 27.726 30.487 -2.761 1
1 305 . 8 1 1 A 33 33 HIS N N 33 120.097 120.904 -0.807 1
1 306 . 8 1 1 A 34 34 GLN H H 34 8.348 7.862 0.486 1
1 307 . 8 1 1 A 34 34 GLN HA H 34 3.630 4.237 -0.607 1
1 314 . 8 1 1 A 34 34 GLN C C 34 177.457 178.643 -1.186 1
1 315 . 8 1 1 A 34 34 GLN CA C 34 59.367 58.385 0.982 1
1 316 . 8 1 1 A 34 34 GLN CB C 34 28.158 29.224 -1.066 1
1 318 . 8 1 1 A 34 34 GLN N N 34 115.621 118.217 -2.596 1
1 320 . 8 1 1 A 35 35 ARG H H 35 7.167 7.944 -0.777 1
1 321 . 8 1 1 A 35 35 ARG HA H 35 4.094 4.084 0.010 1
1 328 . 8 1 1 A 35 35 ARG C C 35 178.544 178.005 0.539 1
1 329 . 8 1 1 A 35 35 ARG CA C 35 58.553 58.916 -0.363 1
1 330 . 8 1 1 A 35 35 ARG CB C 35 30.016 30.099 -0.083 1
1 333 . 8 1 1 A 35 35 ARG N N 35 117.694 118.992 -1.298 1
1 334 . 8 1 1 A 36 36 VAL H H 36 7.878 7.944 -0.066 1
1 335 . 8 1 1 A 36 36 VAL HA H 36 3.885 3.780 0.105 1
1 343 . 8 1 1 A 36 36 VAL C C 36 177.246 178.031 -0.785 1
1 344 . 8 1 1 A 36 36 VAL CA C 36 63.924 65.927 -2.003 1
1 345 . 8 1 1 A 36 36 VAL CB C 36 31.137 31.316 -0.179 1
1 348 . 8 1 1 A 36 36 VAL N N 36 116.056 115.780 0.276 1
1 349 . 8 1 1 A 37 37 HIS H H 37 7.151 8.047 -0.896 1
1 350 . 8 1 1 A 37 37 HIS HA H 37 4.877 4.349 0.528 1
1 355 . 8 1 1 A 37 37 HIS C C 37 175.769 176.330 -0.561 1
1 356 . 8 1 1 A 37 37 HIS CA C 37 55.034 58.645 -3.611 1
1 357 . 8 1 1 A 37 37 HIS CB C 37 28.415 29.567 -1.152 1
1 360 . 8 1 1 A 37 37 HIS N N 37 117.486 119.871 -2.385 1
1 361 . 8 1 1 A 38 38 THR H H 38 7.769 8.177 -0.408 1
1 362 . 8 1 1 A 38 38 THR HA H 38 4.288 3.890 0.398 1
1 367 . 8 1 1 A 38 38 THR C C 38 175.391 174.503 0.888 1
1 368 . 8 1 1 A 38 38 THR CA C 38 62.697 63.380 -0.683 1
1 369 . 8 1 1 A 38 38 THR CB C 38 69.738 68.349 1.389 1
1 371 . 8 1 1 A 38 38 THR N N 38 112.779 113.305 -0.526 1
1 372 . 8 1 1 A 39 39 GLY H H 39 8.251 8.284 -0.033 1
1 373 . 8 1 1 A 39 39 GLY HA2 H 39 3.994 4.017 -0.023 1
1 374 . 8 1 1 A 39 39 GLY HA3 H 39 3.920 4.026 -0.106 1
1 375 . 8 1 1 A 39 39 GLY C C 39 174.076 173.660 0.416 1
1 376 . 8 1 1 A 39 39 GLY CA C 39 45.288 45.515 -0.227 1
1 377 . 8 1 1 A 39 39 GLY N N 39 110.331 115.163 -4.832 1
1 378 . 8 1 1 A 40 40 GLU H H 40 8.076 8.250 -0.174 1
1 379 . 8 1 1 A 40 40 GLU HA H 40 4.139 4.807 -0.668 1
1 384 . 8 1 1 A 40 40 GLU C C 40 176.602 175.449 1.153 1
1 385 . 8 1 1 A 40 40 GLU CA C 40 56.915 54.772 2.143 1
1 386 . 8 1 1 A 40 40 GLU CB C 40 30.414 32.683 -2.269 1
1 388 . 8 1 1 A 40 40 GLU N N 40 120.155 116.163 3.992 1
1 389 . 8 1 1 A 41 41 LYS H H 41 8.274 8.802 -0.528 1
1 390 . 8 1 1 A 41 41 LYS HA H 41 4.496 4.239 0.257 1
1 399 . 8 1 1 A 41 41 LYS C C 41 173.906 176.499 -2.593 1
1 400 . 8 1 1 A 41 41 LYS CA C 41 53.865 56.823 -2.958 1
1 401 . 8 1 1 A 41 41 LYS CB C 41 33.372 30.216 3.156 1
1 405 . 8 1 1 A 41 41 LYS N N 41 121.689 118.620 3.069 1
1 406 . 8 1 1 A 42 42 PRO HA H 42 4.253 4.508 -0.255 1
1 413 . 8 1 1 A 42 42 PRO C C 42 176.660 175.768 0.892 1
1 414 . 8 1 1 A 42 42 PRO CA C 42 63.718 64.473 -0.755 1
1 415 . 8 1 1 A 42 42 PRO CB C 42 32.320 31.386 0.934 1
1 418 . 8 1 1 A 43 43 TYR H H 43 7.693 7.789 -0.096 1
1 419 . 8 1 1 A 43 43 TYR HA H 43 4.600 4.822 -0.222 1
1 426 . 8 1 1 A 43 43 TYR C C 43 174.460 174.935 -0.475 1
1 427 . 8 1 1 A 43 43 TYR CA C 43 57.722 57.031 0.691 1
1 428 . 8 1 1 A 43 43 TYR CB C 43 37.840 38.301 -0.461 1
1 433 . 8 1 1 A 43 43 TYR N N 43 118.327 118.874 -0.547 1
1 434 . 8 1 1 A 44 44 LYS H H 44 8.335 8.834 -0.499 1
1 435 . 8 1 1 A 44 44 LYS HA H 44 4.826 5.430 -0.604 1
1 444 . 8 1 1 A 44 44 LYS C C 44 174.679 175.812 -1.133 1
1 445 . 8 1 1 A 44 44 LYS CA C 44 55.423 55.153 0.270 1
1 446 . 8 1 1 A 44 44 LYS CB C 44 35.380 34.342 1.038 1
1 450 . 8 1 1 A 44 44 LYS N N 44 125.187 126.159 -0.972 1
1 451 . 8 1 1 A 45 45 CYS H H 45 9.250 9.066 0.184 1
1 452 . 8 1 1 A 45 45 CYS HA H 45 4.536 4.762 -0.226 1
1 455 . 8 1 1 A 45 45 CYS C C 45 177.400 176.307 1.093 1
1 456 . 8 1 1 A 45 45 CYS CA C 45 59.384 58.316 1.068 1
1 457 . 8 1 1 A 45 45 CYS CB C 45 29.482 28.723 0.759 1
1 458 . 8 1 1 A 45 45 CYS N N 45 126.431 124.501 1.930 1
1 459 . 8 1 1 A 46 46 LEU H H 46 9.297 8.890 0.407 1
1 460 . 8 1 1 A 46 46 LEU HA H 46 4.192 4.254 -0.062 1
1 470 . 8 1 1 A 46 46 LEU C C 46 177.806 178.780 -0.974 1
1 471 . 8 1 1 A 46 46 LEU CA C 46 56.944 56.756 0.188 1
1 472 . 8 1 1 A 46 46 LEU CB C 46 41.269 41.583 -0.314 1
1 476 . 8 1 1 A 46 46 LEU N N 46 132.501 128.084 4.417 1
1 477 . 8 1 1 A 47 47 GLU H H 47 8.568 8.236 0.332 1
1 478 . 8 1 1 A 47 47 GLU HA H 47 4.161 4.092 0.069 1
1 483 . 8 1 1 A 47 47 GLU C C 47 177.358 177.776 -0.418 1
1 484 . 8 1 1 A 47 47 GLU CA C 47 58.545 59.166 -0.621 1
1 485 . 8 1 1 A 47 47 GLU CB C 47 29.500 29.718 -0.218 1
1 487 . 8 1 1 A 47 47 GLU N N 47 120.165 120.469 -0.304 1
1 488 . 8 1 1 A 48 48 CYS H H 48 7.979 7.495 0.484 1
1 489 . 8 1 1 A 48 48 CYS HA H 48 5.182 4.645 0.537 1
1 492 . 8 1 1 A 48 48 CYS C C 48 176.224 175.376 0.848 1
1 493 . 8 1 1 A 48 48 CYS CA C 48 58.210 59.452 -1.242 1
1 494 . 8 1 1 A 48 48 CYS CB C 48 32.531 29.777 2.754 1
1 495 . 8 1 1 A 48 48 CYS N N 48 114.531 115.667 -1.136 1
1 496 . 8 1 1 A 49 49 GLY H H 49 8.156 8.013 0.143 1
1 497 . 8 1 1 A 49 49 GLY HA2 H 49 4.273 4.068 0.205 1
1 498 . 8 1 1 A 49 49 GLY HA3 H 49 3.771 4.096 -0.325 1
1 499 . 8 1 1 A 49 49 GLY C C 49 173.907 172.571 1.336 1
1 500 . 8 1 1 A 49 49 GLY CA C 49 46.207 45.078 1.129 1
1 501 . 8 1 1 A 49 49 GLY N N 49 113.613 108.796 4.817 1
1 502 . 8 1 1 A 50 50 LYS H H 50 7.961 8.733 -0.772 1
1 503 . 8 1 1 A 50 50 LYS HA H 50 3.936 4.697 -0.761 1
1 512 . 8 1 1 A 50 50 LYS C C 50 173.571 173.962 -0.391 1
1 513 . 8 1 1 A 50 50 LYS CA C 50 58.199 55.410 2.789 1
1 514 . 8 1 1 A 50 50 LYS CB C 50 33.479 36.284 -2.805 1
1 518 . 8 1 1 A 50 50 LYS N N 50 123.259 125.347 -2.088 1
1 519 . 8 1 1 A 51 51 ALA H H 51 7.740 8.449 -0.709 1
1 520 . 8 1 1 A 51 51 ALA HA H 51 5.179 5.654 -0.475 1
1 524 . 8 1 1 A 51 51 ALA C C 51 175.844 176.541 -0.697 1
1 525 . 8 1 1 A 51 51 ALA CA C 51 50.329 50.567 -0.238 1
1 526 . 8 1 1 A 51 51 ALA CB C 51 22.741 21.368 1.373 1
1 527 . 8 1 1 A 51 51 ALA N N 51 123.792 127.314 -3.522 1
1 528 . 8 1 1 A 52 52 PHE H H 52 8.698 8.855 -0.157 1
1 529 . 8 1 1 A 52 52 PHE HA H 52 4.653 4.972 -0.319 1
1 537 . 8 1 1 A 52 52 PHE C C 52 175.640 176.125 -0.485 1
1 538 . 8 1 1 A 52 52 PHE CA C 52 57.636 56.642 0.994 1
1 539 . 8 1 1 A 52 52 PHE CB C 52 43.314 42.090 1.224 1
1 545 . 8 1 1 A 52 52 PHE N N 52 116.792 118.584 -1.792 1
1 546 . 8 1 1 A 53 53 SER H H 53 9.246 8.912 0.334 1
1 547 . 8 1 1 A 53 53 SER HA H 53 4.627 4.300 0.327 1
1 550 . 8 1 1 A 53 53 SER C C 53 173.837 174.435 -0.598 1
1 551 . 8 1 1 A 53 53 SER CA C 53 60.959 61.867 -0.908 1
1 552 . 8 1 1 A 53 53 SER CB C 53 64.077 63.087 0.990 1
1 553 . 8 1 1 A 53 53 SER N N 53 116.932 119.092 -2.160 1
1 554 . 8 1 1 A 54 54 GLN H H 54 7.873 8.145 -0.272 1
1 555 . 8 1 1 A 54 54 GLN HA H 54 4.774 4.697 0.077 1
1 562 . 8 1 1 A 54 54 GLN C C 54 176.112 175.469 0.643 1
1 563 . 8 1 1 A 54 54 GLN CA C 54 53.972 54.428 -0.456 1
1 564 . 8 1 1 A 54 54 GLN CB C 54 32.160 31.497 0.663 1
1 566 . 8 1 1 A 54 54 GLN N N 54 116.030 119.461 -3.431 1
1 568 . 8 1 1 A 55 55 ASN H H 55 8.494 8.390 0.104 1
1 569 . 8 1 1 A 55 55 ASN HA H 55 3.540 3.746 -0.206 1
1 574 . 8 1 1 A 55 55 ASN C C 55 177.306 176.900 0.406 1
1 575 . 8 1 1 A 55 55 ASN CA C 55 56.094 56.363 -0.269 1
1 576 . 8 1 1 A 55 55 ASN CB C 55 38.260 37.942 0.318 1
1 577 . 8 1 1 A 55 55 ASN N N 55 124.248 122.097 2.151 1
1 579 . 8 1 1 A 56 56 SER HA H 56 3.867 4.105 -0.238 1
1 582 . 8 1 1 A 56 56 SER C C 56 176.822 176.844 -0.022 1
1 583 . 8 1 1 A 56 56 SER CA C 56 60.888 62.027 -1.139 1
1 584 . 8 1 1 A 56 56 SER CB C 56 61.588 62.740 -1.152 1
1 585 . 8 1 1 A 57 57 GLY H H 57 7.104 8.227 -1.123 1
1 586 . 8 1 1 A 57 57 GLY HA2 H 57 3.893 3.710 0.183 1
1 587 . 8 1 1 A 57 57 GLY HA3 H 57 3.718 3.751 -0.033 1
1 588 . 8 1 1 A 57 57 GLY C C 57 175.641 175.234 0.407 1
1 589 . 8 1 1 A 57 57 GLY CA C 57 46.508 46.884 -0.376 1
1 590 . 8 1 1 A 57 57 GLY N N 57 109.816 109.367 0.449 1
1 591 . 8 1 1 A 58 58 LEU H H 58 6.781 7.838 -1.057 1
1 592 . 8 1 1 A 58 58 LEU HA H 58 3.288 2.275 1.013 1
1 602 . 8 1 1 A 58 58 LEU C C 58 177.650 177.909 -0.259 1
1 603 . 8 1 1 A 58 58 LEU CA C 58 57.726 56.408 1.318 1
1 604 . 8 1 1 A 58 58 LEU CB C 58 40.656 40.952 -0.296 1
1 608 . 8 1 1 A 58 58 LEU N N 58 124.058 121.932 2.126 1
1 609 . 8 1 1 A 59 59 ILE H H 59 8.281 7.992 0.289 1
1 610 . 8 1 1 A 59 59 ILE HA H 59 3.686 3.350 0.336 1
1 620 . 8 1 1 A 59 59 ILE C C 59 179.220 177.757 1.463 1
1 621 . 8 1 1 A 59 59 ILE CA C 59 64.389 65.730 -1.341 1
1 622 . 8 1 1 A 59 59 ILE CB C 59 37.545 37.831 -0.286 1
1 626 . 8 1 1 A 59 59 ILE N N 59 119.575 119.727 -0.152 1
1 627 . 8 1 1 A 60 60 ASN H H 60 7.677 8.130 -0.453 1
1 628 . 8 1 1 A 60 60 ASN HA H 60 4.326 4.418 -0.092 1
1 633 . 8 1 1 A 60 60 ASN C C 60 177.688 177.163 0.525 1
1 634 . 8 1 1 A 60 60 ASN CA C 60 56.183 55.875 0.308 1
1 635 . 8 1 1 A 60 60 ASN CB C 60 38.549 38.877 -0.328 1
1 636 . 8 1 1 A 60 60 ASN N N 60 116.791 118.792 -2.001 1
1 638 . 8 1 1 A 61 61 HIS H H 61 7.526 7.363 0.163 1
1 639 . 8 1 1 A 61 61 HIS HA H 61 4.172 4.255 -0.083 1
1 643 . 8 1 1 A 61 61 HIS C C 61 176.063 176.099 -0.036 1
1 644 . 8 1 1 A 61 61 HIS CA C 61 58.924 57.607 1.317 1
1 645 . 8 1 1 A 61 61 HIS CB C 61 29.110 30.228 -1.118 1
1 647 . 8 1 1 A 61 61 HIS N N 61 119.310 118.767 0.543 1
1 648 . 8 1 1 A 62 62 GLN H H 62 8.345 7.921 0.424 1
1 649 . 8 1 1 A 62 62 GLN HA H 62 3.631 4.251 -0.620 1
1 656 . 8 1 1 A 62 62 GLN C C 62 177.302 178.268 -0.966 1
1 657 . 8 1 1 A 62 62 GLN CA C 62 59.260 56.562 2.698 1
1 658 . 8 1 1 A 62 62 GLN CB C 62 28.161 29.507 -1.346 1
1 660 . 8 1 1 A 62 62 GLN N N 62 115.573 117.560 -1.987 1
1 662 . 8 1 1 A 63 63 ARG H H 63 7.029 7.805 -0.776 1
1 663 . 8 1 1 A 63 63 ARG HA H 63 4.091 4.054 0.037 1
1 670 . 8 1 1 A 63 63 ARG C C 63 178.257 177.711 0.546 1
1 671 . 8 1 1 A 63 63 ARG CA C 63 58.505 58.397 0.108 1
1 672 . 8 1 1 A 63 63 ARG CB C 63 30.046 29.358 0.688 1
1 675 . 8 1 1 A 63 63 ARG N N 63 117.521 118.827 -1.306 1
1 676 . 8 1 1 A 64 64 ILE H H 64 7.763 7.340 0.423 1
1 677 . 8 1 1 A 64 64 ILE HA H 64 3.988 3.715 0.273 1
1 687 . 8 1 1 A 64 64 ILE C C 64 177.138 177.953 -0.815 1
1 688 . 8 1 1 A 64 64 ILE CA C 64 62.780 64.076 -1.296 1
1 689 . 8 1 1 A 64 64 ILE CB C 64 37.760 37.213 0.547 1
1 693 . 8 1 1 A 64 64 ILE N N 64 115.601 116.260 -0.659 1
1 694 . 8 1 1 A 65 65 HIS H H 65 7.261 7.385 -0.124 1
1 695 . 8 1 1 A 65 65 HIS HA H 65 4.867 4.276 0.591 1
1 700 . 8 1 1 A 65 65 HIS C C 65 175.314 177.997 -2.683 1
1 701 . 8 1 1 A 65 65 HIS CA C 65 54.927 59.836 -4.909 1
1 702 . 8 1 1 A 65 65 HIS CB C 65 28.723 29.326 -0.603 1
1 705 . 8 1 1 A 65 65 HIS N N 65 118.018 121.326 -3.308 1
1 706 . 8 1 1 A 66 66 THR H H 66 7.717 7.956 -0.239 1
1 707 . 8 1 1 A 66 66 THR HA H 66 4.433 4.185 0.248 1
1 712 . 8 1 1 A 66 66 THR C C 66 174.569 175.383 -0.814 1
1 713 . 8 1 1 A 66 66 THR CA C 66 61.984 65.397 -3.413 1
1 714 . 8 1 1 A 66 66 THR CB C 66 69.832 68.305 1.527 1
1 716 . 8 1 1 A 66 66 THR N N 66 112.598 113.958 -1.360 1
1 717 . 8 1 1 A 67 67 SER H H 67 8.272 7.440 0.832 1
1 718 . 8 1 1 A 67 67 SER HA H 67 4.540 4.179 0.361 1
1 721 . 8 1 1 A 67 67 SER C C 67 174.531 174.657 -0.126 1
1 722 . 8 1 1 A 67 67 SER CA C 67 58.517 60.169 -1.652 1
1 723 . 8 1 1 A 67 67 SER CB C 67 64.041 63.733 0.308 1
1 724 . 8 1 1 A 67 67 SER N N 67 117.832 118.343 -0.511 1
1 725 . 8 1 1 A 68 68 GLY H H 68 8.223 8.653 -0.430 1
1 726 . 8 1 1 A 68 68 GLY HA2 H 68 4.153 4.121 0.032 1
1 727 . 8 1 1 A 68 68 GLY HA3 H 68 4.101 4.124 -0.023 1
1 728 . 8 1 1 A 68 68 GLY C C 68 171.817 172.851 -1.034 1
1 729 . 8 1 1 A 68 68 GLY CA C 68 44.704 44.092 0.612 1
1 730 . 8 1 1 A 68 68 GLY N N 68 110.671 110.703 -0.032 1
1 731 . 8 1 1 A 69 69 PRO HA H 69 4.469 4.536 -0.067 1
1 738 . 8 1 1 A 69 69 PRO CA C 69 63.244 62.474 0.770 1
1 739 . 8 1 1 A 69 69 PRO CB C 69 32.208 33.247 -1.039 1
1 1 . 9 1 1 A 7 7 GLY HA2 H 7 3.957 4.298 -0.341 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.957 4.309 -0.352 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.124 171.696 2.428 1
1 4 . 9 1 1 A 7 7 GLY CA C 7 45.359 44.555 0.804 1
1 5 . 9 1 1 A 8 8 ILE H H 8 7.939 8.866 -0.927 1
1 6 . 9 1 1 A 8 8 ILE HA H 8 4.106 4.738 -0.632 1
1 16 . 9 1 1 A 8 8 ILE C C 8 176.213 175.024 1.189 1
1 17 . 9 1 1 A 8 8 ILE CA C 8 61.378 59.606 1.772 1
1 18 . 9 1 1 A 8 8 ILE CB C 8 38.603 41.761 -3.158 1
1 22 . 9 1 1 A 8 8 ILE N N 8 119.652 125.053 -5.401 1
1 23 . 9 1 1 A 9 9 HIS H H 9 8.409 9.109 -0.700 1
1 24 . 9 1 1 A 9 9 HIS C C 9 175.436 173.709 1.727 1
1 25 . 9 1 1 A 9 9 HIS CA C 9 56.065 55.063 1.002 1
1 26 . 9 1 1 A 9 9 HIS CB C 9 30.677 29.017 1.660 1
1 27 . 9 1 1 A 9 9 HIS N N 9 123.607 127.415 -3.808 1
1 28 . 9 1 1 A 10 10 SER HA H 10 4.484 4.726 -0.242 1
1 31 . 9 1 1 A 10 10 SER C C 10 174.981 173.409 1.572 1
1 32 . 9 1 1 A 10 10 SER CA C 10 58.621 56.936 1.685 1
1 33 . 9 1 1 A 10 10 SER CB C 10 63.732 63.246 0.486 1
1 34 . 9 1 1 A 11 11 GLY H H 11 8.447 8.917 -0.470 1
1 35 . 9 1 1 A 11 11 GLY HA2 H 11 3.936 3.972 -0.036 1
1 36 . 9 1 1 A 11 11 GLY HA3 H 11 3.936 3.981 -0.045 1
1 37 . 9 1 1 A 11 11 GLY C C 11 174.112 174.951 -0.839 1
1 38 . 9 1 1 A 11 11 GLY CA C 11 45.292 46.080 -0.788 1
1 39 . 9 1 1 A 11 11 GLY N N 11 110.887 114.426 -3.539 1
1 40 . 9 1 1 A 12 12 GLU H H 12 8.200 8.750 -0.550 1
1 41 . 9 1 1 A 12 12 GLU HA H 12 4.174 4.004 0.170 1
1 46 . 9 1 1 A 12 12 GLU C C 12 176.545 177.025 -0.480 1
1 47 . 9 1 1 A 12 12 GLU CA C 12 56.962 59.548 -2.586 1
1 48 . 9 1 1 A 12 12 GLU CB C 12 30.388 29.673 0.715 1
1 50 . 9 1 1 A 12 12 GLU N N 12 120.059 125.819 -5.760 1
1 51 . 9 1 1 A 13 13 LYS H H 13 8.280 8.007 0.273 1
1 52 . 9 1 1 A 13 13 LYS HA H 13 4.434 4.759 -0.325 1
1 61 . 9 1 1 A 13 13 LYS C C 13 173.760 174.920 -1.160 1
1 62 . 9 1 1 A 13 13 LYS CA C 13 53.742 53.846 -0.104 1
1 63 . 9 1 1 A 13 13 LYS CB C 13 33.067 32.662 0.405 1
1 67 . 9 1 1 A 13 13 LYS N N 13 121.235 119.944 1.291 1
1 68 . 9 1 1 A 14 14 PRO HA H 14 4.268 4.524 -0.256 1
1 75 . 9 1 1 A 14 14 PRO C C 14 176.391 175.835 0.556 1
1 76 . 9 1 1 A 14 14 PRO CA C 14 63.473 64.163 -0.690 1
1 77 . 9 1 1 A 14 14 PRO CB C 14 32.243 31.680 0.563 1
1 80 . 9 1 1 A 15 15 TYR H H 15 7.898 7.598 0.300 1
1 81 . 9 1 1 A 15 15 TYR HA H 15 4.609 5.102 -0.493 1
1 88 . 9 1 1 A 15 15 TYR C C 15 175.259 175.727 -0.468 1
1 89 . 9 1 1 A 15 15 TYR CA C 15 57.252 56.467 0.785 1
1 90 . 9 1 1 A 15 15 TYR CB C 15 37.800 41.246 -3.446 1
1 95 . 9 1 1 A 15 15 TYR N N 15 118.120 119.096 -0.976 1
1 96 . 9 1 1 A 16 16 GLY H H 16 8.420 8.749 -0.329 1
1 97 . 9 1 1 A 16 16 GLY HA2 H 16 4.634 4.474 0.160 1
1 98 . 9 1 1 A 16 16 GLY HA3 H 16 3.568 4.492 -0.924 1
1 99 . 9 1 1 A 16 16 GLY C C 16 172.667 172.258 0.409 1
1 100 . 9 1 1 A 16 16 GLY CA C 16 44.599 45.073 -0.474 1
1 101 . 9 1 1 A 16 16 GLY N N 16 111.924 109.546 2.378 1
1 102 . 9 1 1 A 17 17 CYS H H 17 9.142 8.565 0.577 1
1 103 . 9 1 1 A 17 17 CYS HA H 17 4.712 5.098 -0.386 1
1 106 . 9 1 1 A 17 17 CYS C C 17 177.696 174.844 2.852 1
1 107 . 9 1 1 A 17 17 CYS CA C 17 58.694 57.456 1.238 1
1 108 . 9 1 1 A 17 17 CYS CB C 17 29.770 30.453 -0.683 1
1 109 . 9 1 1 A 17 17 CYS N N 17 125.008 117.934 7.074 1
1 110 . 9 1 1 A 18 18 VAL H H 18 9.089 8.591 0.498 1
1 111 . 9 1 1 A 18 18 VAL HA H 18 4.003 4.165 -0.162 1
1 119 . 9 1 1 A 18 18 VAL C C 18 176.506 177.755 -1.249 1
1 120 . 9 1 1 A 18 18 VAL CA C 18 64.407 63.729 0.678 1
1 121 . 9 1 1 A 18 18 VAL CB C 18 31.744 33.089 -1.345 1
1 124 . 9 1 1 A 18 18 VAL N N 18 129.598 124.378 5.220 1
1 125 . 9 1 1 A 19 19 GLU H H 19 8.413 7.810 0.603 1
1 126 . 9 1 1 A 19 19 GLU HA H 19 4.187 3.848 0.339 1
1 131 . 9 1 1 A 19 19 GLU C C 19 177.385 177.987 -0.602 1
1 132 . 9 1 1 A 19 19 GLU CA C 19 58.535 59.413 -0.878 1
1 133 . 9 1 1 A 19 19 GLU CB C 19 29.358 28.625 0.733 1
1 135 . 9 1 1 A 19 19 GLU N N 19 121.264 122.204 -0.940 1
1 136 . 9 1 1 A 20 20 CYS H H 20 7.854 7.366 0.488 1
1 137 . 9 1 1 A 20 20 CYS HA H 20 5.142 4.742 0.400 1
1 140 . 9 1 1 A 20 20 CYS C C 20 176.237 175.648 0.589 1
1 141 . 9 1 1 A 20 20 CYS CA C 20 58.341 59.637 -1.296 1
1 142 . 9 1 1 A 20 20 CYS CB C 20 32.531 30.120 2.411 1
1 143 . 9 1 1 A 20 20 CYS N N 20 113.736 114.785 -1.049 1
1 144 . 9 1 1 A 21 21 GLY H H 21 8.281 8.240 0.041 1
1 145 . 9 1 1 A 21 21 GLY HA2 H 21 4.216 4.054 0.162 1
1 146 . 9 1 1 A 21 21 GLY HA3 H 21 3.784 4.064 -0.280 1
1 147 . 9 1 1 A 21 21 GLY C C 21 174.288 174.242 0.046 1
1 148 . 9 1 1 A 21 21 GLY CA C 21 46.159 45.192 0.967 1
1 149 . 9 1 1 A 21 21 GLY N N 21 113.574 110.432 3.142 1
1 150 . 9 1 1 A 22 22 LYS H H 22 7.891 7.784 0.107 1
1 151 . 9 1 1 A 22 22 LYS HA H 22 3.989 4.145 -0.156 1
1 160 . 9 1 1 A 22 22 LYS C C 22 173.452 175.130 -1.678 1
1 161 . 9 1 1 A 22 22 LYS CA C 22 57.789 55.766 2.023 1
1 162 . 9 1 1 A 22 22 LYS CB C 22 34.125 32.781 1.344 1
1 166 . 9 1 1 A 22 22 LYS N N 22 122.877 119.787 3.090 1
1 167 . 9 1 1 A 23 23 ALA H H 23 7.645 8.474 -0.829 1
1 168 . 9 1 1 A 23 23 ALA HA H 23 4.925 5.680 -0.755 1
1 172 . 9 1 1 A 23 23 ALA C C 23 175.868 175.471 0.397 1
1 173 . 9 1 1 A 23 23 ALA CA C 23 50.523 49.941 0.582 1
1 174 . 9 1 1 A 23 23 ALA CB C 23 22.145 21.556 0.589 1
1 175 . 9 1 1 A 23 23 ALA N N 23 122.280 125.528 -3.248 1
1 176 . 9 1 1 A 24 24 PHE H H 24 8.337 8.637 -0.300 1
1 177 . 9 1 1 A 24 24 PHE HA H 24 4.890 4.961 -0.071 1
1 185 . 9 1 1 A 24 24 PHE C C 24 175.994 176.100 -0.106 1
1 186 . 9 1 1 A 24 24 PHE CA C 24 56.926 56.549 0.377 1
1 187 . 9 1 1 A 24 24 PHE CB C 24 43.626 41.538 2.088 1
1 193 . 9 1 1 A 24 24 PHE N N 24 116.352 119.645 -3.293 1
1 194 . 9 1 1 A 25 25 SER H H 25 9.344 8.776 0.568 1
1 195 . 9 1 1 A 25 25 SER HA H 25 4.612 4.331 0.281 1
1 198 . 9 1 1 A 25 25 SER C C 25 174.148 174.566 -0.418 1
1 199 . 9 1 1 A 25 25 SER CA C 25 60.554 60.697 -0.143 1
1 200 . 9 1 1 A 25 25 SER CB C 25 64.329 62.824 1.505 1
1 201 . 9 1 1 A 25 25 SER N N 25 115.148 119.132 -3.984 1
1 202 . 9 1 1 A 26 26 ARG H H 26 7.040 7.780 -0.740 1
1 203 . 9 1 1 A 26 26 ARG HA H 26 4.719 4.690 0.029 1
1 210 . 9 1 1 A 26 26 ARG C C 26 176.116 176.200 -0.084 1
1 211 . 9 1 1 A 26 26 ARG CA C 26 54.417 54.308 0.109 1
1 212 . 9 1 1 A 26 26 ARG CB C 26 34.587 33.077 1.510 1
1 215 . 9 1 1 A 26 26 ARG N N 26 115.877 121.808 -5.931 1
1 216 . 9 1 1 A 27 27 SER H H 27 8.441 8.701 -0.260 1
1 217 . 9 1 1 A 27 27 SER HA H 27 3.278 3.646 -0.368 1
1 220 . 9 1 1 A 27 27 SER CA C 27 61.160 61.199 -0.039 1
1 221 . 9 1 1 A 27 27 SER CB C 27 61.910 61.663 0.247 1
1 222 . 9 1 1 A 27 27 SER N N 27 120.683 118.286 2.397 1
1 223 . 9 1 1 A 28 28 SER HA H 28 3.969 4.176 -0.207 1
1 226 . 9 1 1 A 28 28 SER C C 28 176.640 177.327 -0.687 1
1 227 . 9 1 1 A 28 28 SER CA C 28 61.029 61.823 -0.794 1
1 228 . 9 1 1 A 28 28 SER CB C 28 61.506 62.464 -0.958 1
1 229 . 9 1 1 A 29 29 ILE H H 29 6.628 7.713 -1.085 1
1 230 . 9 1 1 A 29 29 ILE HA H 29 3.725 3.535 0.190 1
1 240 . 9 1 1 A 29 29 ILE C C 29 178.108 177.498 0.610 1
1 241 . 9 1 1 A 29 29 ILE CA C 29 63.470 64.131 -0.661 1
1 242 . 9 1 1 A 29 29 ILE CB C 29 38.013 37.529 0.484 1
1 246 . 9 1 1 A 29 29 ILE N N 29 122.549 122.535 0.014 1
1 247 . 9 1 1 A 30 30 LEU H H 30 7.003 7.535 -0.532 1
1 248 . 9 1 1 A 30 30 LEU HA H 30 3.511 3.526 -0.015 1
1 258 . 9 1 1 A 30 30 LEU C C 30 177.880 178.650 -0.770 1
1 259 . 9 1 1 A 30 30 LEU CA C 30 58.394 58.030 0.364 1
1 260 . 9 1 1 A 30 30 LEU CB C 30 40.239 41.714 -1.475 1
1 264 . 9 1 1 A 30 30 LEU N N 30 122.518 120.994 1.524 1
1 265 . 9 1 1 A 31 31 VAL H H 31 8.203 7.956 0.247 1
1 266 . 9 1 1 A 31 31 VAL HA H 31 3.709 3.466 0.243 1
1 274 . 9 1 1 A 31 31 VAL C C 31 179.070 178.083 0.987 1
1 275 . 9 1 1 A 31 31 VAL CA C 31 66.618 67.163 -0.545 1
1 276 . 9 1 1 A 31 31 VAL CB C 31 31.624 31.523 0.101 1
1 279 . 9 1 1 A 31 31 VAL N N 31 118.600 119.514 -0.914 1
1 280 . 9 1 1 A 32 32 GLN H H 32 7.323 8.109 -0.786 1
1 281 . 9 1 1 A 32 32 GLN HA H 32 3.927 4.039 -0.112 1
1 288 . 9 1 1 A 32 32 GLN C C 32 178.751 177.632 1.119 1
1 289 . 9 1 1 A 32 32 GLN CA C 32 58.772 57.964 0.808 1
1 290 . 9 1 1 A 32 32 GLN CB C 32 28.368 28.105 0.263 1
1 292 . 9 1 1 A 32 32 GLN N N 32 118.113 119.476 -1.363 1
1 294 . 9 1 1 A 33 33 HIS H H 33 8.046 7.749 0.297 1
1 295 . 9 1 1 A 33 33 HIS HA H 33 4.148 4.236 -0.088 1
1 300 . 9 1 1 A 33 33 HIS C C 33 176.164 176.933 -0.769 1
1 301 . 9 1 1 A 33 33 HIS CA C 33 59.033 57.972 1.061 1
1 302 . 9 1 1 A 33 33 HIS CB C 33 27.726 30.303 -2.577 1
1 305 . 9 1 1 A 33 33 HIS N N 33 120.097 119.506 0.591 1
1 306 . 9 1 1 A 34 34 GLN H H 34 8.348 7.933 0.415 1
1 307 . 9 1 1 A 34 34 GLN HA H 34 3.630 4.342 -0.712 1
1 314 . 9 1 1 A 34 34 GLN C C 34 177.457 178.476 -1.019 1
1 315 . 9 1 1 A 34 34 GLN CA C 34 59.367 57.473 1.894 1
1 316 . 9 1 1 A 34 34 GLN CB C 34 28.158 29.847 -1.689 1
1 318 . 9 1 1 A 34 34 GLN N N 34 115.621 117.847 -2.226 1
1 320 . 9 1 1 A 35 35 ARG H H 35 7.167 8.201 -1.034 1
1 321 . 9 1 1 A 35 35 ARG HA H 35 4.094 4.106 -0.012 1
1 328 . 9 1 1 A 35 35 ARG C C 35 178.544 177.774 0.770 1
1 329 . 9 1 1 A 35 35 ARG CA C 35 58.553 58.612 -0.059 1
1 330 . 9 1 1 A 35 35 ARG CB C 35 30.016 29.738 0.278 1
1 333 . 9 1 1 A 35 35 ARG N N 35 117.694 119.157 -1.463 1
1 334 . 9 1 1 A 36 36 VAL H H 36 7.878 7.592 0.286 1
1 335 . 9 1 1 A 36 36 VAL HA H 36 3.885 3.706 0.179 1
1 343 . 9 1 1 A 36 36 VAL C C 36 177.246 177.929 -0.683 1
1 344 . 9 1 1 A 36 36 VAL CA C 36 63.924 65.356 -1.432 1
1 345 . 9 1 1 A 36 36 VAL CB C 36 31.137 31.300 -0.163 1
1 348 . 9 1 1 A 36 36 VAL N N 36 116.056 115.815 0.241 1
1 349 . 9 1 1 A 37 37 HIS H H 37 7.151 7.860 -0.709 1
1 350 . 9 1 1 A 37 37 HIS HA H 37 4.877 4.323 0.554 1
1 355 . 9 1 1 A 37 37 HIS C C 37 175.769 176.432 -0.663 1
1 356 . 9 1 1 A 37 37 HIS CA C 37 55.034 58.776 -3.742 1
1 357 . 9 1 1 A 37 37 HIS CB C 37 28.415 29.891 -1.476 1
1 360 . 9 1 1 A 37 37 HIS N N 37 117.486 119.793 -2.307 1
1 361 . 9 1 1 A 38 38 THR H H 38 7.769 8.074 -0.305 1
1 362 . 9 1 1 A 38 38 THR HA H 38 4.288 4.087 0.201 1
1 367 . 9 1 1 A 38 38 THR C C 38 175.391 175.381 0.010 1
1 368 . 9 1 1 A 38 38 THR CA C 38 62.697 63.370 -0.673 1
1 369 . 9 1 1 A 38 38 THR CB C 38 69.738 69.200 0.538 1
1 371 . 9 1 1 A 38 38 THR N N 38 112.779 112.159 0.620 1
1 372 . 9 1 1 A 39 39 GLY H H 39 8.251 8.618 -0.367 1
1 373 . 9 1 1 A 39 39 GLY HA2 H 39 3.994 4.114 -0.120 1
1 374 . 9 1 1 A 39 39 GLY HA3 H 39 3.920 4.127 -0.207 1
1 375 . 9 1 1 A 39 39 GLY C C 39 174.076 174.961 -0.885 1
1 376 . 9 1 1 A 39 39 GLY CA C 39 45.288 45.365 -0.077 1
1 377 . 9 1 1 A 39 39 GLY N N 39 110.331 116.262 -5.931 1
1 378 . 9 1 1 A 40 40 GLU H H 40 8.076 8.572 -0.496 1
1 379 . 9 1 1 A 40 40 GLU HA H 40 4.139 4.161 -0.022 1
1 384 . 9 1 1 A 40 40 GLU C C 40 176.602 176.297 0.305 1
1 385 . 9 1 1 A 40 40 GLU CA C 40 56.915 59.203 -2.288 1
1 386 . 9 1 1 A 40 40 GLU CB C 40 30.414 29.709 0.705 1
1 388 . 9 1 1 A 40 40 GLU N N 40 120.155 119.563 0.592 1
1 389 . 9 1 1 A 41 41 LYS H H 41 8.274 7.866 0.408 1
1 390 . 9 1 1 A 41 41 LYS HA H 41 4.496 4.451 0.045 1
1 399 . 9 1 1 A 41 41 LYS C C 41 173.906 177.200 -3.294 1
1 400 . 9 1 1 A 41 41 LYS CA C 41 53.865 56.890 -3.025 1
1 401 . 9 1 1 A 41 41 LYS CB C 41 33.372 30.443 2.929 1
1 405 . 9 1 1 A 41 41 LYS N N 41 121.689 115.895 5.794 1
1 406 . 9 1 1 A 42 42 PRO HA H 42 4.253 4.434 -0.181 1
1 413 . 9 1 1 A 42 42 PRO C C 42 176.660 175.724 0.936 1
1 414 . 9 1 1 A 42 42 PRO CA C 42 63.718 64.537 -0.819 1
1 415 . 9 1 1 A 42 42 PRO CB C 42 32.320 31.227 1.093 1
1 418 . 9 1 1 A 43 43 TYR H H 43 7.693 7.633 0.060 1
1 419 . 9 1 1 A 43 43 TYR HA H 43 4.600 4.845 -0.245 1
1 426 . 9 1 1 A 43 43 TYR C C 43 174.460 174.875 -0.415 1
1 427 . 9 1 1 A 43 43 TYR CA C 43 57.722 57.048 0.674 1
1 428 . 9 1 1 A 43 43 TYR CB C 43 37.840 38.160 -0.320 1
1 433 . 9 1 1 A 43 43 TYR N N 43 118.327 118.757 -0.430 1
1 434 . 9 1 1 A 44 44 LYS H H 44 8.335 8.881 -0.546 1
1 435 . 9 1 1 A 44 44 LYS HA H 44 4.826 5.359 -0.533 1
1 444 . 9 1 1 A 44 44 LYS C C 44 174.679 176.602 -1.923 1
1 445 . 9 1 1 A 44 44 LYS CA C 44 55.423 55.218 0.205 1
1 446 . 9 1 1 A 44 44 LYS CB C 44 35.380 34.303 1.077 1
1 450 . 9 1 1 A 44 44 LYS N N 44 125.187 126.174 -0.987 1
1 451 . 9 1 1 A 45 45 CYS H H 45 9.250 9.421 -0.171 1
1 452 . 9 1 1 A 45 45 CYS HA H 45 4.536 4.661 -0.125 1
1 455 . 9 1 1 A 45 45 CYS C C 45 177.400 174.785 2.615 1
1 456 . 9 1 1 A 45 45 CYS CA C 45 59.384 59.615 -0.231 1
1 457 . 9 1 1 A 45 45 CYS CB C 45 29.482 28.651 0.831 1
1 458 . 9 1 1 A 45 45 CYS N N 45 126.431 124.403 2.028 1
1 459 . 9 1 1 A 46 46 LEU H H 46 9.297 8.066 1.231 1
1 460 . 9 1 1 A 46 46 LEU HA H 46 4.192 4.398 -0.206 1
1 470 . 9 1 1 A 46 46 LEU C C 46 177.806 178.215 -0.409 1
1 471 . 9 1 1 A 46 46 LEU CA C 46 56.944 54.840 2.104 1
1 472 . 9 1 1 A 46 46 LEU CB C 46 41.269 42.355 -1.086 1
1 476 . 9 1 1 A 46 46 LEU N N 46 132.501 129.856 2.645 1
1 477 . 9 1 1 A 47 47 GLU H H 47 8.568 7.564 1.004 1
1 478 . 9 1 1 A 47 47 GLU HA H 47 4.161 4.086 0.075 1
1 483 . 9 1 1 A 47 47 GLU C C 47 177.358 177.769 -0.411 1
1 484 . 9 1 1 A 47 47 GLU CA C 47 58.545 58.957 -0.412 1
1 485 . 9 1 1 A 47 47 GLU CB C 47 29.500 29.816 -0.316 1
1 487 . 9 1 1 A 47 47 GLU N N 47 120.165 120.646 -0.481 1
1 488 . 9 1 1 A 48 48 CYS H H 48 7.979 7.528 0.451 1
1 489 . 9 1 1 A 48 48 CYS HA H 48 5.182 4.603 0.579 1
1 492 . 9 1 1 A 48 48 CYS C C 48 176.224 175.513 0.711 1
1 493 . 9 1 1 A 48 48 CYS CA C 48 58.210 59.496 -1.286 1
1 494 . 9 1 1 A 48 48 CYS CB C 48 32.531 29.838 2.693 1
1 495 . 9 1 1 A 48 48 CYS N N 48 114.531 115.492 -0.961 1
1 496 . 9 1 1 A 49 49 GLY H H 49 8.156 7.999 0.157 1
1 497 . 9 1 1 A 49 49 GLY HA2 H 49 4.273 4.090 0.183 1
1 498 . 9 1 1 A 49 49 GLY HA3 H 49 3.771 4.124 -0.353 1
1 499 . 9 1 1 A 49 49 GLY C C 49 173.907 172.540 1.367 1
1 500 . 9 1 1 A 49 49 GLY CA C 49 46.207 44.923 1.284 1
1 501 . 9 1 1 A 49 49 GLY N N 49 113.613 109.153 4.460 1
1 502 . 9 1 1 A 50 50 LYS H H 50 7.961 8.631 -0.670 1
1 503 . 9 1 1 A 50 50 LYS HA H 50 3.936 4.661 -0.725 1
1 512 . 9 1 1 A 50 50 LYS C C 50 173.571 173.815 -0.244 1
1 513 . 9 1 1 A 50 50 LYS CA C 50 58.199 55.642 2.557 1
1 514 . 9 1 1 A 50 50 LYS CB C 50 33.479 36.421 -2.942 1
1 518 . 9 1 1 A 50 50 LYS N N 50 123.259 125.398 -2.139 1
1 519 . 9 1 1 A 51 51 ALA H H 51 7.740 8.516 -0.776 1
1 520 . 9 1 1 A 51 51 ALA HA H 51 5.179 5.490 -0.311 1
1 524 . 9 1 1 A 51 51 ALA C C 51 175.844 176.752 -0.908 1
1 525 . 9 1 1 A 51 51 ALA CA C 51 50.329 50.939 -0.610 1
1 526 . 9 1 1 A 51 51 ALA CB C 51 22.741 21.191 1.550 1
1 527 . 9 1 1 A 51 51 ALA N N 51 123.792 127.234 -3.442 1
1 528 . 9 1 1 A 52 52 PHE H H 52 8.698 8.662 0.036 1
1 529 . 9 1 1 A 52 52 PHE HA H 52 4.653 4.976 -0.323 1
1 537 . 9 1 1 A 52 52 PHE C C 52 175.640 175.932 -0.292 1
1 538 . 9 1 1 A 52 52 PHE CA C 52 57.636 56.558 1.078 1
1 539 . 9 1 1 A 52 52 PHE CB C 52 43.314 41.932 1.382 1
1 545 . 9 1 1 A 52 52 PHE N N 52 116.792 118.193 -1.401 1
1 546 . 9 1 1 A 53 53 SER H H 53 9.246 8.993 0.253 1
1 547 . 9 1 1 A 53 53 SER HA H 53 4.627 4.246 0.381 1
1 550 . 9 1 1 A 53 53 SER C C 53 173.837 174.380 -0.543 1
1 551 . 9 1 1 A 53 53 SER CA C 53 60.959 62.236 -1.277 1
1 552 . 9 1 1 A 53 53 SER CB C 53 64.077 63.130 0.947 1
1 553 . 9 1 1 A 53 53 SER N N 53 116.932 119.400 -2.468 1
1 554 . 9 1 1 A 54 54 GLN H H 54 7.873 8.212 -0.339 1
1 555 . 9 1 1 A 54 54 GLN HA H 54 4.774 4.917 -0.143 1
1 562 . 9 1 1 A 54 54 GLN C C 54 176.112 175.613 0.499 1
1 563 . 9 1 1 A 54 54 GLN CA C 54 53.972 54.498 -0.526 1
1 564 . 9 1 1 A 54 54 GLN CB C 54 32.160 31.839 0.321 1
1 566 . 9 1 1 A 54 54 GLN N N 54 116.030 119.476 -3.446 1
1 568 . 9 1 1 A 55 55 ASN H H 55 8.494 8.282 0.212 1
1 569 . 9 1 1 A 55 55 ASN HA H 55 3.540 3.927 -0.387 1
1 574 . 9 1 1 A 55 55 ASN C C 55 177.306 176.632 0.674 1
1 575 . 9 1 1 A 55 55 ASN CA C 55 56.094 56.201 -0.107 1
1 576 . 9 1 1 A 55 55 ASN CB C 55 38.260 38.189 0.071 1
1 577 . 9 1 1 A 55 55 ASN N N 55 124.248 121.422 2.826 1
1 579 . 9 1 1 A 56 56 SER HA H 56 3.867 4.060 -0.193 1
1 582 . 9 1 1 A 56 56 SER C C 56 176.822 176.996 -0.174 1
1 583 . 9 1 1 A 56 56 SER CA C 56 60.888 61.124 -0.236 1
1 584 . 9 1 1 A 56 56 SER CB C 56 61.588 62.842 -1.254 1
1 585 . 9 1 1 A 57 57 GLY H H 57 7.104 8.332 -1.228 1
1 586 . 9 1 1 A 57 57 GLY HA2 H 57 3.893 3.750 0.143 1
1 587 . 9 1 1 A 57 57 GLY HA3 H 57 3.718 3.794 -0.076 1
1 588 . 9 1 1 A 57 57 GLY C C 57 175.641 175.300 0.341 1
1 589 . 9 1 1 A 57 57 GLY CA C 57 46.508 46.857 -0.349 1
1 590 . 9 1 1 A 57 57 GLY N N 57 109.816 107.653 2.163 1
1 591 . 9 1 1 A 58 58 LEU H H 58 6.781 8.029 -1.248 1
1 592 . 9 1 1 A 58 58 LEU HA H 58 3.288 2.725 0.563 1
1 602 . 9 1 1 A 58 58 LEU C C 58 177.650 177.890 -0.240 1
1 603 . 9 1 1 A 58 58 LEU CA C 58 57.726 56.635 1.091 1
1 604 . 9 1 1 A 58 58 LEU CB C 58 40.656 41.190 -0.534 1
1 608 . 9 1 1 A 58 58 LEU N N 58 124.058 122.368 1.690 1
1 609 . 9 1 1 A 59 59 ILE H H 59 8.281 8.222 0.059 1
1 610 . 9 1 1 A 59 59 ILE HA H 59 3.686 3.376 0.310 1
1 620 . 9 1 1 A 59 59 ILE C C 59 179.220 177.893 1.327 1
1 621 . 9 1 1 A 59 59 ILE CA C 59 64.389 65.516 -1.127 1
1 622 . 9 1 1 A 59 59 ILE CB C 59 37.545 37.789 -0.244 1
1 626 . 9 1 1 A 59 59 ILE N N 59 119.575 119.683 -0.108 1
1 627 . 9 1 1 A 60 60 ASN H H 60 7.677 8.190 -0.513 1
1 628 . 9 1 1 A 60 60 ASN HA H 60 4.326 4.415 -0.089 1
1 633 . 9 1 1 A 60 60 ASN C C 60 177.688 177.088 0.600 1
1 634 . 9 1 1 A 60 60 ASN CA C 60 56.183 55.987 0.196 1
1 635 . 9 1 1 A 60 60 ASN CB C 60 38.549 39.009 -0.460 1
1 636 . 9 1 1 A 60 60 ASN N N 60 116.791 118.776 -1.985 1
1 638 . 9 1 1 A 61 61 HIS H H 61 7.526 7.803 -0.277 1
1 639 . 9 1 1 A 61 61 HIS HA H 61 4.172 4.172 0.000 1
1 643 . 9 1 1 A 61 61 HIS C C 61 176.063 176.438 -0.375 1
1 644 . 9 1 1 A 61 61 HIS CA C 61 58.924 57.883 1.041 1
1 645 . 9 1 1 A 61 61 HIS CB C 61 29.110 30.256 -1.146 1
1 647 . 9 1 1 A 61 61 HIS N N 61 119.310 118.678 0.632 1
1 648 . 9 1 1 A 62 62 GLN H H 62 8.345 7.940 0.405 1
1 649 . 9 1 1 A 62 62 GLN HA H 62 3.631 4.075 -0.444 1
1 656 . 9 1 1 A 62 62 GLN C C 62 177.302 178.490 -1.188 1
1 657 . 9 1 1 A 62 62 GLN CA C 62 59.260 56.964 2.296 1
1 658 . 9 1 1 A 62 62 GLN CB C 62 28.161 29.294 -1.133 1
1 660 . 9 1 1 A 62 62 GLN N N 62 115.573 117.426 -1.853 1
1 662 . 9 1 1 A 63 63 ARG H H 63 7.029 7.962 -0.933 1
1 663 . 9 1 1 A 63 63 ARG HA H 63 4.091 4.022 0.069 1
1 670 . 9 1 1 A 63 63 ARG C C 63 178.257 177.995 0.262 1
1 671 . 9 1 1 A 63 63 ARG CA C 63 58.505 58.519 -0.014 1
1 672 . 9 1 1 A 63 63 ARG CB C 63 30.046 29.425 0.621 1
1 675 . 9 1 1 A 63 63 ARG N N 63 117.521 118.640 -1.119 1
1 676 . 9 1 1 A 64 64 ILE H H 64 7.763 7.343 0.420 1
1 677 . 9 1 1 A 64 64 ILE HA H 64 3.988 3.735 0.253 1
1 687 . 9 1 1 A 64 64 ILE C C 64 177.138 177.830 -0.692 1
1 688 . 9 1 1 A 64 64 ILE CA C 64 62.780 64.286 -1.506 1
1 689 . 9 1 1 A 64 64 ILE CB C 64 37.760 37.356 0.404 1
1 693 . 9 1 1 A 64 64 ILE N N 64 115.601 116.119 -0.518 1
1 694 . 9 1 1 A 65 65 HIS H H 65 7.261 7.257 0.004 1
1 695 . 9 1 1 A 65 65 HIS HA H 65 4.867 4.352 0.515 1
1 700 . 9 1 1 A 65 65 HIS C C 65 175.314 176.294 -0.980 1
1 701 . 9 1 1 A 65 65 HIS CA C 65 54.927 58.938 -4.011 1
1 702 . 9 1 1 A 65 65 HIS CB C 65 28.723 30.108 -1.385 1
1 705 . 9 1 1 A 65 65 HIS N N 65 118.018 120.001 -1.983 1
1 706 . 9 1 1 A 66 66 THR H H 66 7.717 7.401 0.316 1
1 707 . 9 1 1 A 66 66 THR HA H 66 4.433 4.261 0.172 1
1 712 . 9 1 1 A 66 66 THR C C 66 174.569 173.526 1.043 1
1 713 . 9 1 1 A 66 66 THR CA C 66 61.984 62.834 -0.850 1
1 714 . 9 1 1 A 66 66 THR CB C 66 69.832 69.768 0.064 1
1 716 . 9 1 1 A 66 66 THR N N 66 112.598 111.794 0.804 1
1 717 . 9 1 1 A 67 67 SER H H 67 8.272 9.061 -0.789 1
1 718 . 9 1 1 A 67 67 SER HA H 67 4.540 4.557 -0.017 1
1 721 . 9 1 1 A 67 67 SER C C 67 174.531 173.317 1.214 1
1 722 . 9 1 1 A 67 67 SER CA C 67 58.517 59.395 -0.878 1
1 723 . 9 1 1 A 67 67 SER CB C 67 64.041 65.646 -1.605 1
1 724 . 9 1 1 A 67 67 SER N N 67 117.832 122.799 -4.967 1
1 725 . 9 1 1 A 68 68 GLY H H 68 8.223 7.976 0.247 1
1 726 . 9 1 1 A 68 68 GLY HA2 H 68 4.153 4.302 -0.149 1
1 727 . 9 1 1 A 68 68 GLY HA3 H 68 4.101 4.304 -0.203 1
1 728 . 9 1 1 A 68 68 GLY C C 68 171.817 174.220 -2.403 1
1 729 . 9 1 1 A 68 68 GLY CA C 68 44.704 44.299 0.405 1
1 730 . 9 1 1 A 68 68 GLY N N 68 110.671 107.486 3.185 1
1 731 . 9 1 1 A 69 69 PRO HA H 69 4.469 4.491 -0.022 1
1 738 . 9 1 1 A 69 69 PRO CA C 69 63.244 64.022 -0.778 1
1 739 . 9 1 1 A 69 69 PRO CB C 69 32.208 31.725 0.483 1
1 1 . 10 1 1 A 7 7 GLY HA2 H 7 3.957 3.497 0.460 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.957 3.622 0.335 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.124 174.394 -0.270 1
1 4 . 10 1 1 A 7 7 GLY CA C 7 45.359 46.281 -0.922 1
1 5 . 10 1 1 A 8 8 ILE H H 8 7.939 7.594 0.345 1
1 6 . 10 1 1 A 8 8 ILE HA H 8 4.106 4.164 -0.058 1
1 16 . 10 1 1 A 8 8 ILE C C 8 176.213 175.403 0.810 1
1 17 . 10 1 1 A 8 8 ILE CA C 8 61.378 59.858 1.520 1
1 18 . 10 1 1 A 8 8 ILE CB C 8 38.603 36.109 2.494 1
1 22 . 10 1 1 A 8 8 ILE N N 8 119.652 121.370 -1.718 1
1 23 . 10 1 1 A 9 9 HIS H H 9 8.409 7.349 1.060 1
1 24 . 10 1 1 A 9 9 HIS C C 9 175.436 173.934 1.502 1
1 25 . 10 1 1 A 9 9 HIS CA C 9 56.065 54.037 2.028 1
1 26 . 10 1 1 A 9 9 HIS CB C 9 30.677 29.487 1.190 1
1 27 . 10 1 1 A 9 9 HIS N N 9 123.607 120.888 2.719 1
1 28 . 10 1 1 A 10 10 SER HA H 10 4.484 4.986 -0.502 1
1 31 . 10 1 1 A 10 10 SER C C 10 174.981 174.058 0.923 1
1 32 . 10 1 1 A 10 10 SER CA C 10 58.621 57.318 1.303 1
1 33 . 10 1 1 A 10 10 SER CB C 10 63.732 64.913 -1.181 1
1 34 . 10 1 1 A 11 11 GLY H H 11 8.447 8.348 0.099 1
1 35 . 10 1 1 A 11 11 GLY HA2 H 11 3.936 4.190 -0.254 1
1 36 . 10 1 1 A 11 11 GLY HA3 H 11 3.936 4.191 -0.255 1
1 37 . 10 1 1 A 11 11 GLY C C 11 174.112 173.423 0.689 1
1 38 . 10 1 1 A 11 11 GLY CA C 11 45.292 45.731 -0.439 1
1 39 . 10 1 1 A 11 11 GLY N N 11 110.887 111.240 -0.353 1
1 40 . 10 1 1 A 12 12 GLU H H 12 8.200 8.578 -0.378 1
1 41 . 10 1 1 A 12 12 GLU HA H 12 4.174 4.539 -0.365 1
1 46 . 10 1 1 A 12 12 GLU C C 12 176.545 176.676 -0.131 1
1 47 . 10 1 1 A 12 12 GLU CA C 12 56.962 57.061 -0.099 1
1 48 . 10 1 1 A 12 12 GLU CB C 12 30.388 32.275 -1.887 1
1 50 . 10 1 1 A 12 12 GLU N N 12 120.059 118.891 1.168 1
1 51 . 10 1 1 A 13 13 LYS H H 13 8.280 7.640 0.640 1
1 52 . 10 1 1 A 13 13 LYS HA H 13 4.434 4.437 -0.003 1
1 61 . 10 1 1 A 13 13 LYS C C 13 173.760 176.538 -2.778 1
1 62 . 10 1 1 A 13 13 LYS CA C 13 53.742 55.213 -1.471 1
1 63 . 10 1 1 A 13 13 LYS CB C 13 33.067 32.600 0.467 1
1 67 . 10 1 1 A 13 13 LYS N N 13 121.235 119.844 1.391 1
1 68 . 10 1 1 A 14 14 PRO HA H 14 4.268 4.493 -0.225 1
1 75 . 10 1 1 A 14 14 PRO C C 14 176.391 175.860 0.531 1
1 76 . 10 1 1 A 14 14 PRO CA C 14 63.473 64.283 -0.810 1
1 77 . 10 1 1 A 14 14 PRO CB C 14 32.243 31.543 0.700 1
1 80 . 10 1 1 A 15 15 TYR H H 15 7.898 7.604 0.294 1
1 81 . 10 1 1 A 15 15 TYR HA H 15 4.609 5.122 -0.513 1
1 88 . 10 1 1 A 15 15 TYR C C 15 175.259 175.228 0.031 1
1 89 . 10 1 1 A 15 15 TYR CA C 15 57.252 56.385 0.867 1
1 90 . 10 1 1 A 15 15 TYR CB C 15 37.800 40.532 -2.732 1
1 95 . 10 1 1 A 15 15 TYR N N 15 118.120 119.381 -1.261 1
1 96 . 10 1 1 A 16 16 GLY H H 16 8.420 8.943 -0.523 1
1 97 . 10 1 1 A 16 16 GLY HA2 H 16 4.634 4.332 0.302 1
1 98 . 10 1 1 A 16 16 GLY HA3 H 16 3.568 4.351 -0.783 1
1 99 . 10 1 1 A 16 16 GLY C C 16 172.667 172.507 0.160 1
1 100 . 10 1 1 A 16 16 GLY CA C 16 44.599 44.324 0.275 1
1 101 . 10 1 1 A 16 16 GLY N N 16 111.924 111.697 0.227 1
1 102 . 10 1 1 A 17 17 CYS H H 17 9.142 9.145 -0.003 1
1 103 . 10 1 1 A 17 17 CYS HA H 17 4.712 4.911 -0.199 1
1 106 . 10 1 1 A 17 17 CYS C C 17 177.696 175.099 2.597 1
1 107 . 10 1 1 A 17 17 CYS CA C 17 58.694 58.827 -0.133 1
1 108 . 10 1 1 A 17 17 CYS CB C 17 29.770 28.808 0.962 1
1 109 . 10 1 1 A 17 17 CYS N N 17 125.008 120.499 4.509 1
1 110 . 10 1 1 A 18 18 VAL H H 18 9.089 8.245 0.844 1
1 111 . 10 1 1 A 18 18 VAL HA H 18 4.003 4.149 -0.146 1
1 119 . 10 1 1 A 18 18 VAL C C 18 176.506 177.655 -1.149 1
1 120 . 10 1 1 A 18 18 VAL CA C 18 64.407 63.770 0.637 1
1 121 . 10 1 1 A 18 18 VAL CB C 18 31.744 33.190 -1.446 1
1 124 . 10 1 1 A 18 18 VAL N N 18 129.598 125.075 4.523 1
1 125 . 10 1 1 A 19 19 GLU H H 19 8.413 7.799 0.614 1
1 126 . 10 1 1 A 19 19 GLU HA H 19 4.187 3.998 0.189 1
1 131 . 10 1 1 A 19 19 GLU C C 19 177.385 178.005 -0.620 1
1 132 . 10 1 1 A 19 19 GLU CA C 19 58.535 59.250 -0.715 1
1 133 . 10 1 1 A 19 19 GLU CB C 19 29.358 29.138 0.220 1
1 135 . 10 1 1 A 19 19 GLU N N 19 121.264 121.691 -0.427 1
1 136 . 10 1 1 A 20 20 CYS H H 20 7.854 7.378 0.476 1
1 137 . 10 1 1 A 20 20 CYS HA H 20 5.142 4.760 0.382 1
1 140 . 10 1 1 A 20 20 CYS C C 20 176.237 175.655 0.582 1
1 141 . 10 1 1 A 20 20 CYS CA C 20 58.341 59.392 -1.051 1
1 142 . 10 1 1 A 20 20 CYS CB C 20 32.531 30.374 2.157 1
1 143 . 10 1 1 A 20 20 CYS N N 20 113.736 114.540 -0.804 1
1 144 . 10 1 1 A 21 21 GLY H H 21 8.281 7.987 0.294 1
1 145 . 10 1 1 A 21 21 GLY HA2 H 21 4.216 4.033 0.183 1
1 146 . 10 1 1 A 21 21 GLY HA3 H 21 3.784 4.040 -0.256 1
1 147 . 10 1 1 A 21 21 GLY C C 21 174.288 174.705 -0.417 1
1 148 . 10 1 1 A 21 21 GLY CA C 21 46.159 45.254 0.905 1
1 149 . 10 1 1 A 21 21 GLY N N 21 113.574 109.803 3.771 1
1 150 . 10 1 1 A 22 22 LYS H H 22 7.891 7.560 0.331 1
1 151 . 10 1 1 A 22 22 LYS HA H 22 3.989 4.050 -0.061 1
1 160 . 10 1 1 A 22 22 LYS C C 22 173.452 175.387 -1.935 1
1 161 . 10 1 1 A 22 22 LYS CA C 22 57.789 57.494 0.295 1
1 162 . 10 1 1 A 22 22 LYS CB C 22 34.125 32.610 1.515 1
1 166 . 10 1 1 A 22 22 LYS N N 22 122.877 121.476 1.401 1
1 167 . 10 1 1 A 23 23 ALA H H 23 7.645 8.171 -0.526 1
1 168 . 10 1 1 A 23 23 ALA HA H 23 4.925 5.482 -0.557 1
1 172 . 10 1 1 A 23 23 ALA C C 23 175.868 175.304 0.564 1
1 173 . 10 1 1 A 23 23 ALA CA C 23 50.523 49.831 0.692 1
1 174 . 10 1 1 A 23 23 ALA CB C 23 22.145 22.622 -0.477 1
1 175 . 10 1 1 A 23 23 ALA N N 23 122.280 126.501 -4.221 1
1 176 . 10 1 1 A 24 24 PHE H H 24 8.337 8.868 -0.531 1
1 177 . 10 1 1 A 24 24 PHE HA H 24 4.890 4.933 -0.043 1
1 185 . 10 1 1 A 24 24 PHE C C 24 175.994 175.984 0.010 1
1 186 . 10 1 1 A 24 24 PHE CA C 24 56.926 56.551 0.375 1
1 187 . 10 1 1 A 24 24 PHE CB C 24 43.626 41.621 2.005 1
1 193 . 10 1 1 A 24 24 PHE N N 24 116.352 117.693 -1.341 1
1 194 . 10 1 1 A 25 25 SER H H 25 9.344 8.861 0.483 1
1 195 . 10 1 1 A 25 25 SER HA H 25 4.612 4.346 0.266 1
1 198 . 10 1 1 A 25 25 SER C C 25 174.148 174.601 -0.453 1
1 199 . 10 1 1 A 25 25 SER CA C 25 60.554 60.426 0.128 1
1 200 . 10 1 1 A 25 25 SER CB C 25 64.329 62.981 1.348 1
1 201 . 10 1 1 A 25 25 SER N N 25 115.148 118.960 -3.812 1
1 202 . 10 1 1 A 26 26 ARG H H 26 7.040 7.795 -0.755 1
1 203 . 10 1 1 A 26 26 ARG HA H 26 4.719 4.699 0.020 1
1 210 . 10 1 1 A 26 26 ARG C C 26 176.116 176.204 -0.088 1
1 211 . 10 1 1 A 26 26 ARG CA C 26 54.417 54.353 0.064 1
1 212 . 10 1 1 A 26 26 ARG CB C 26 34.587 33.077 1.510 1
1 215 . 10 1 1 A 26 26 ARG N N 26 115.877 122.042 -6.165 1
1 216 . 10 1 1 A 27 27 SER H H 27 8.441 8.640 -0.199 1
1 217 . 10 1 1 A 27 27 SER HA H 27 3.278 3.628 -0.350 1
1 220 . 10 1 1 A 27 27 SER CA C 27 61.160 61.158 0.002 1
1 221 . 10 1 1 A 27 27 SER CB C 27 61.910 61.844 0.066 1
1 222 . 10 1 1 A 27 27 SER N N 27 120.683 118.462 2.221 1
1 223 . 10 1 1 A 28 28 SER HA H 28 3.969 4.166 -0.197 1
1 226 . 10 1 1 A 28 28 SER C C 28 176.640 177.137 -0.497 1
1 227 . 10 1 1 A 28 28 SER CA C 28 61.029 61.609 -0.580 1
1 228 . 10 1 1 A 28 28 SER CB C 28 61.506 62.570 -1.064 1
1 229 . 10 1 1 A 29 29 ILE H H 29 6.628 7.620 -0.992 1
1 230 . 10 1 1 A 29 29 ILE HA H 29 3.725 3.670 0.055 1
1 240 . 10 1 1 A 29 29 ILE C C 29 178.108 178.033 0.075 1
1 241 . 10 1 1 A 29 29 ILE CA C 29 63.470 63.916 -0.446 1
1 242 . 10 1 1 A 29 29 ILE CB C 29 38.013 37.041 0.972 1
1 246 . 10 1 1 A 29 29 ILE N N 29 122.549 122.681 -0.132 1
1 247 . 10 1 1 A 30 30 LEU H H 30 7.003 7.520 -0.517 1
1 248 . 10 1 1 A 30 30 LEU HA H 30 3.511 3.478 0.033 1
1 258 . 10 1 1 A 30 30 LEU C C 30 177.880 178.520 -0.640 1
1 259 . 10 1 1 A 30 30 LEU CA C 30 58.394 57.899 0.495 1
1 260 . 10 1 1 A 30 30 LEU CB C 30 40.239 41.828 -1.589 1
1 264 . 10 1 1 A 30 30 LEU N N 30 122.518 122.112 0.406 1
1 265 . 10 1 1 A 31 31 VAL H H 31 8.203 8.045 0.158 1
1 266 . 10 1 1 A 31 31 VAL HA H 31 3.709 3.504 0.205 1
1 274 . 10 1 1 A 31 31 VAL C C 31 179.070 177.747 1.323 1
1 275 . 10 1 1 A 31 31 VAL CA C 31 66.618 66.755 -0.137 1
1 276 . 10 1 1 A 31 31 VAL CB C 31 31.624 31.287 0.337 1
1 279 . 10 1 1 A 31 31 VAL N N 31 118.600 119.550 -0.950 1
1 280 . 10 1 1 A 32 32 GLN H H 32 7.323 7.717 -0.394 1
1 281 . 10 1 1 A 32 32 GLN HA H 32 3.927 4.118 -0.191 1
1 288 . 10 1 1 A 32 32 GLN C C 32 178.751 176.825 1.926 1
1 289 . 10 1 1 A 32 32 GLN CA C 32 58.772 58.405 0.367 1
1 290 . 10 1 1 A 32 32 GLN CB C 32 28.368 28.792 -0.424 1
1 292 . 10 1 1 A 32 32 GLN N N 32 118.113 118.587 -0.474 1
1 294 . 10 1 1 A 33 33 HIS H H 33 8.046 7.870 0.176 1
1 295 . 10 1 1 A 33 33 HIS HA H 33 4.148 4.267 -0.119 1
1 300 . 10 1 1 A 33 33 HIS C C 33 176.164 176.486 -0.322 1
1 301 . 10 1 1 A 33 33 HIS CA C 33 59.033 57.849 1.184 1
1 302 . 10 1 1 A 33 33 HIS CB C 33 27.726 30.554 -2.828 1
1 305 . 10 1 1 A 33 33 HIS N N 33 120.097 120.824 -0.727 1
1 306 . 10 1 1 A 34 34 GLN H H 34 8.348 7.773 0.575 1
1 307 . 10 1 1 A 34 34 GLN HA H 34 3.630 4.333 -0.703 1
1 314 . 10 1 1 A 34 34 GLN C C 34 177.457 177.604 -0.147 1
1 315 . 10 1 1 A 34 34 GLN CA C 34 59.367 56.581 2.786 1
1 316 . 10 1 1 A 34 34 GLN CB C 34 28.158 29.670 -1.512 1
1 318 . 10 1 1 A 34 34 GLN N N 34 115.621 117.447 -1.826 1
1 320 . 10 1 1 A 35 35 ARG H H 35 7.167 7.733 -0.566 1
1 321 . 10 1 1 A 35 35 ARG HA H 35 4.094 4.154 -0.060 1
1 328 . 10 1 1 A 35 35 ARG C C 35 178.544 178.383 0.161 1
1 329 . 10 1 1 A 35 35 ARG CA C 35 58.553 58.800 -0.247 1
1 330 . 10 1 1 A 35 35 ARG CB C 35 30.016 30.184 -0.168 1
1 333 . 10 1 1 A 35 35 ARG N N 35 117.694 118.791 -1.097 1
1 334 . 10 1 1 A 36 36 VAL H H 36 7.878 7.753 0.125 1
1 335 . 10 1 1 A 36 36 VAL HA H 36 3.885 3.723 0.162 1
1 343 . 10 1 1 A 36 36 VAL C C 36 177.246 177.837 -0.591 1
1 344 . 10 1 1 A 36 36 VAL CA C 36 63.924 65.394 -1.470 1
1 345 . 10 1 1 A 36 36 VAL CB C 36 31.137 31.267 -0.130 1
1 348 . 10 1 1 A 36 36 VAL N N 36 116.056 115.977 0.079 1
1 349 . 10 1 1 A 37 37 HIS H H 37 7.151 8.132 -0.981 1
1 350 . 10 1 1 A 37 37 HIS HA H 37 4.877 4.261 0.616 1
1 355 . 10 1 1 A 37 37 HIS C C 37 175.769 177.675 -1.906 1
1 356 . 10 1 1 A 37 37 HIS CA C 37 55.034 58.816 -3.782 1
1 357 . 10 1 1 A 37 37 HIS CB C 37 28.415 29.489 -1.074 1
1 360 . 10 1 1 A 37 37 HIS N N 37 117.486 120.817 -3.331 1
1 361 . 10 1 1 A 38 38 THR H H 38 7.769 7.979 -0.210 1
1 362 . 10 1 1 A 38 38 THR HA H 38 4.288 4.065 0.223 1
1 367 . 10 1 1 A 38 38 THR C C 38 175.391 174.411 0.980 1
1 368 . 10 1 1 A 38 38 THR CA C 38 62.697 64.741 -2.044 1
1 369 . 10 1 1 A 38 38 THR CB C 38 69.738 69.346 0.392 1
1 371 . 10 1 1 A 38 38 THR N N 38 112.779 114.331 -1.552 1
1 372 . 10 1 1 A 39 39 GLY H H 39 8.251 7.898 0.353 1
1 373 . 10 1 1 A 39 39 GLY HA2 H 39 3.994 4.039 -0.045 1
1 374 . 10 1 1 A 39 39 GLY HA3 H 39 3.920 4.049 -0.129 1
1 375 . 10 1 1 A 39 39 GLY C C 39 174.076 173.554 0.522 1
1 376 . 10 1 1 A 39 39 GLY CA C 39 45.288 45.646 -0.358 1
1 377 . 10 1 1 A 39 39 GLY N N 39 110.331 108.022 2.309 1
1 378 . 10 1 1 A 40 40 GLU H H 40 8.076 8.612 -0.536 1
1 379 . 10 1 1 A 40 40 GLU HA H 40 4.139 4.491 -0.352 1
1 384 . 10 1 1 A 40 40 GLU C C 40 176.602 176.658 -0.056 1
1 385 . 10 1 1 A 40 40 GLU CA C 40 56.915 55.974 0.941 1
1 386 . 10 1 1 A 40 40 GLU CB C 40 30.414 29.729 0.685 1
1 388 . 10 1 1 A 40 40 GLU N N 40 120.155 121.601 -1.446 1
1 389 . 10 1 1 A 41 41 LYS H H 41 8.274 7.471 0.803 1
1 390 . 10 1 1 A 41 41 LYS HA H 41 4.496 5.125 -0.629 1
1 399 . 10 1 1 A 41 41 LYS C C 41 173.906 174.901 -0.995 1
1 400 . 10 1 1 A 41 41 LYS CA C 41 53.865 53.883 -0.018 1
1 401 . 10 1 1 A 41 41 LYS CB C 41 33.372 32.812 0.560 1
1 405 . 10 1 1 A 41 41 LYS N N 41 121.689 121.175 0.514 1
1 406 . 10 1 1 A 42 42 PRO HA H 42 4.253 4.470 -0.217 1
1 413 . 10 1 1 A 42 42 PRO C C 42 176.660 175.873 0.787 1
1 414 . 10 1 1 A 42 42 PRO CA C 42 63.718 64.603 -0.885 1
1 415 . 10 1 1 A 42 42 PRO CB C 42 32.320 31.743 0.577 1
1 418 . 10 1 1 A 43 43 TYR H H 43 7.693 7.161 0.532 1
1 419 . 10 1 1 A 43 43 TYR HA H 43 4.600 4.783 -0.183 1
1 426 . 10 1 1 A 43 43 TYR C C 43 174.460 175.066 -0.606 1
1 427 . 10 1 1 A 43 43 TYR CA C 43 57.722 57.953 -0.231 1
1 428 . 10 1 1 A 43 43 TYR CB C 43 37.840 39.226 -1.386 1
1 433 . 10 1 1 A 43 43 TYR N N 43 118.327 117.876 0.451 1
1 434 . 10 1 1 A 44 44 LYS H H 44 8.335 9.009 -0.674 1
1 435 . 10 1 1 A 44 44 LYS HA H 44 4.826 5.461 -0.635 1
1 444 . 10 1 1 A 44 44 LYS C C 44 174.679 175.699 -1.020 1
1 445 . 10 1 1 A 44 44 LYS CA C 44 55.423 54.344 1.079 1
1 446 . 10 1 1 A 44 44 LYS CB C 44 35.380 36.162 -0.782 1
1 450 . 10 1 1 A 44 44 LYS N N 44 125.187 125.540 -0.353 1
1 451 . 10 1 1 A 45 45 CYS H H 45 9.250 9.554 -0.304 1
1 452 . 10 1 1 A 45 45 CYS HA H 45 4.536 4.656 -0.120 1
1 455 . 10 1 1 A 45 45 CYS C C 45 177.400 175.357 2.043 1
1 456 . 10 1 1 A 45 45 CYS CA C 45 59.384 59.281 0.103 1
1 457 . 10 1 1 A 45 45 CYS CB C 45 29.482 28.603 0.879 1
1 458 . 10 1 1 A 45 45 CYS N N 45 126.431 123.952 2.479 1
1 459 . 10 1 1 A 46 46 LEU H H 46 9.297 8.589 0.708 1
1 460 . 10 1 1 A 46 46 LEU HA H 46 4.192 4.662 -0.470 1
1 470 . 10 1 1 A 46 46 LEU C C 46 177.806 177.255 0.551 1
1 471 . 10 1 1 A 46 46 LEU CA C 46 56.944 54.594 2.350 1
1 472 . 10 1 1 A 46 46 LEU CB C 46 41.269 41.822 -0.553 1
1 476 . 10 1 1 A 46 46 LEU N N 46 132.501 128.647 3.854 1
1 477 . 10 1 1 A 47 47 GLU H H 47 8.568 8.401 0.167 1
1 478 . 10 1 1 A 47 47 GLU HA H 47 4.161 4.460 -0.299 1
1 483 . 10 1 1 A 47 47 GLU C C 47 177.358 177.534 -0.176 1
1 484 . 10 1 1 A 47 47 GLU CA C 47 58.545 57.482 1.063 1
1 485 . 10 1 1 A 47 47 GLU CB C 47 29.500 30.915 -1.415 1
1 487 . 10 1 1 A 47 47 GLU N N 47 120.165 119.376 0.789 1
1 488 . 10 1 1 A 48 48 CYS H H 48 7.979 7.947 0.032 1
1 489 . 10 1 1 A 48 48 CYS HA H 48 5.182 4.634 0.548 1
1 492 . 10 1 1 A 48 48 CYS C C 48 176.224 175.483 0.741 1
1 493 . 10 1 1 A 48 48 CYS CA C 48 58.210 59.306 -1.096 1
1 494 . 10 1 1 A 48 48 CYS CB C 48 32.531 30.130 2.401 1
1 495 . 10 1 1 A 48 48 CYS N N 48 114.531 115.650 -1.119 1
1 496 . 10 1 1 A 49 49 GLY H H 49 8.156 8.146 0.010 1
1 497 . 10 1 1 A 49 49 GLY HA2 H 49 4.273 4.082 0.191 1
1 498 . 10 1 1 A 49 49 GLY HA3 H 49 3.771 4.106 -0.335 1
1 499 . 10 1 1 A 49 49 GLY C C 49 173.907 173.103 0.804 1
1 500 . 10 1 1 A 49 49 GLY CA C 49 46.207 45.204 1.003 1
1 501 . 10 1 1 A 49 49 GLY N N 49 113.613 109.362 4.251 1
1 502 . 10 1 1 A 50 50 LYS H H 50 7.961 8.491 -0.530 1
1 503 . 10 1 1 A 50 50 LYS HA H 50 3.936 4.720 -0.784 1
1 512 . 10 1 1 A 50 50 LYS C C 50 173.571 173.802 -0.231 1
1 513 . 10 1 1 A 50 50 LYS CA C 50 58.199 55.358 2.841 1
1 514 . 10 1 1 A 50 50 LYS CB C 50 33.479 36.144 -2.665 1
1 518 . 10 1 1 A 50 50 LYS N N 50 123.259 124.948 -1.689 1
1 519 . 10 1 1 A 51 51 ALA H H 51 7.740 8.520 -0.780 1
1 520 . 10 1 1 A 51 51 ALA HA H 51 5.179 5.507 -0.328 1
1 524 . 10 1 1 A 51 51 ALA C C 51 175.844 176.371 -0.527 1
1 525 . 10 1 1 A 51 51 ALA CA C 51 50.329 50.459 -0.130 1
1 526 . 10 1 1 A 51 51 ALA CB C 51 22.741 21.487 1.254 1
1 527 . 10 1 1 A 51 51 ALA N N 51 123.792 127.322 -3.530 1
1 528 . 10 1 1 A 52 52 PHE H H 52 8.698 9.128 -0.430 1
1 529 . 10 1 1 A 52 52 PHE HA H 52 4.653 4.946 -0.293 1
1 537 . 10 1 1 A 52 52 PHE C C 52 175.640 175.688 -0.048 1
1 538 . 10 1 1 A 52 52 PHE CA C 52 57.636 57.014 0.622 1
1 539 . 10 1 1 A 52 52 PHE CB C 52 43.314 43.098 0.216 1
1 545 . 10 1 1 A 52 52 PHE N N 52 116.792 117.819 -1.027 1
1 546 . 10 1 1 A 53 53 SER H H 53 9.246 9.060 0.186 1
1 547 . 10 1 1 A 53 53 SER HA H 53 4.627 4.851 -0.224 1
1 550 . 10 1 1 A 53 53 SER C C 53 173.837 173.781 0.056 1
1 551 . 10 1 1 A 53 53 SER CA C 53 60.959 61.100 -0.141 1
1 552 . 10 1 1 A 53 53 SER CB C 53 64.077 63.715 0.362 1
1 553 . 10 1 1 A 53 53 SER N N 53 116.932 118.333 -1.401 1
1 554 . 10 1 1 A 54 54 GLN H H 54 7.873 7.942 -0.069 1
1 555 . 10 1 1 A 54 54 GLN HA H 54 4.774 4.666 0.108 1
1 562 . 10 1 1 A 54 54 GLN C C 54 176.112 175.341 0.771 1
1 563 . 10 1 1 A 54 54 GLN CA C 54 53.972 54.457 -0.485 1
1 564 . 10 1 1 A 54 54 GLN CB C 54 32.160 31.855 0.305 1
1 566 . 10 1 1 A 54 54 GLN N N 54 116.030 117.267 -1.237 1
1 568 . 10 1 1 A 55 55 ASN H H 55 8.494 8.082 0.412 1
1 569 . 10 1 1 A 55 55 ASN HA H 55 3.540 3.752 -0.212 1
1 574 . 10 1 1 A 55 55 ASN C C 55 177.306 176.907 0.399 1
1 575 . 10 1 1 A 55 55 ASN CA C 55 56.094 56.077 0.017 1
1 576 . 10 1 1 A 55 55 ASN CB C 55 38.260 37.764 0.496 1
1 577 . 10 1 1 A 55 55 ASN N N 55 124.248 121.822 2.426 1
1 579 . 10 1 1 A 56 56 SER HA H 56 3.867 4.128 -0.261 1
1 582 . 10 1 1 A 56 56 SER C C 56 176.822 176.919 -0.097 1
1 583 . 10 1 1 A 56 56 SER CA C 56 60.888 62.160 -1.272 1
1 584 . 10 1 1 A 56 56 SER CB C 56 61.588 62.742 -1.154 1
1 585 . 10 1 1 A 57 57 GLY H H 57 7.104 8.201 -1.097 1
1 586 . 10 1 1 A 57 57 GLY HA2 H 57 3.893 3.636 0.257 1
1 587 . 10 1 1 A 57 57 GLY HA3 H 57 3.718 3.656 0.062 1
1 588 . 10 1 1 A 57 57 GLY C C 57 175.641 175.313 0.328 1
1 589 . 10 1 1 A 57 57 GLY CA C 57 46.508 46.839 -0.331 1
1 590 . 10 1 1 A 57 57 GLY N N 57 109.816 109.518 0.298 1
1 591 . 10 1 1 A 58 58 LEU H H 58 6.781 7.567 -0.786 1
1 592 . 10 1 1 A 58 58 LEU HA H 58 3.288 2.329 0.959 1
1 602 . 10 1 1 A 58 58 LEU C C 58 177.650 178.171 -0.521 1
1 603 . 10 1 1 A 58 58 LEU CA C 58 57.726 56.387 1.339 1
1 604 . 10 1 1 A 58 58 LEU CB C 58 40.656 41.186 -0.530 1
1 608 . 10 1 1 A 58 58 LEU N N 58 124.058 121.764 2.294 1
1 609 . 10 1 1 A 59 59 ILE H H 59 8.281 7.938 0.343 1
1 610 . 10 1 1 A 59 59 ILE HA H 59 3.686 3.337 0.349 1
1 620 . 10 1 1 A 59 59 ILE C C 59 179.220 177.754 1.466 1
1 621 . 10 1 1 A 59 59 ILE CA C 59 64.389 65.595 -1.206 1
1 622 . 10 1 1 A 59 59 ILE CB C 59 37.545 38.059 -0.514 1
1 626 . 10 1 1 A 59 59 ILE N N 59 119.575 119.181 0.394 1
1 627 . 10 1 1 A 60 60 ASN H H 60 7.677 8.158 -0.481 1
1 628 . 10 1 1 A 60 60 ASN HA H 60 4.326 4.448 -0.122 1
1 633 . 10 1 1 A 60 60 ASN C C 60 177.688 177.077 0.611 1
1 634 . 10 1 1 A 60 60 ASN CA C 60 56.183 55.701 0.482 1
1 635 . 10 1 1 A 60 60 ASN CB C 60 38.549 38.840 -0.291 1
1 636 . 10 1 1 A 60 60 ASN N N 60 116.791 118.800 -2.009 1
1 638 . 10 1 1 A 61 61 HIS H H 61 7.526 7.467 0.059 1
1 639 . 10 1 1 A 61 61 HIS HA H 61 4.172 4.221 -0.049 1
1 643 . 10 1 1 A 61 61 HIS C C 61 176.063 176.908 -0.845 1
1 644 . 10 1 1 A 61 61 HIS CA C 61 58.924 58.102 0.822 1
1 645 . 10 1 1 A 61 61 HIS CB C 61 29.110 30.436 -1.326 1
1 647 . 10 1 1 A 61 61 HIS N N 61 119.310 118.917 0.393 1
1 648 . 10 1 1 A 62 62 GLN H H 62 8.345 7.953 0.392 1
1 649 . 10 1 1 A 62 62 GLN HA H 62 3.631 4.121 -0.490 1
1 656 . 10 1 1 A 62 62 GLN C C 62 177.302 177.771 -0.469 1
1 657 . 10 1 1 A 62 62 GLN CA C 62 59.260 57.595 1.665 1
1 658 . 10 1 1 A 62 62 GLN CB C 62 28.161 28.830 -0.669 1
1 660 . 10 1 1 A 62 62 GLN N N 62 115.573 117.728 -2.155 1
1 662 . 10 1 1 A 63 63 ARG H H 63 7.029 7.859 -0.830 1
1 663 . 10 1 1 A 63 63 ARG HA H 63 4.091 4.113 -0.022 1
1 670 . 10 1 1 A 63 63 ARG C C 63 178.257 177.664 0.593 1
1 671 . 10 1 1 A 63 63 ARG CA C 63 58.505 58.084 0.421 1
1 672 . 10 1 1 A 63 63 ARG CB C 63 30.046 29.640 0.406 1
1 675 . 10 1 1 A 63 63 ARG N N 63 117.521 117.884 -0.363 1
1 676 . 10 1 1 A 64 64 ILE H H 64 7.763 7.281 0.482 1
1 677 . 10 1 1 A 64 64 ILE HA H 64 3.988 3.761 0.227 1
1 687 . 10 1 1 A 64 64 ILE C C 64 177.138 178.116 -0.978 1
1 688 . 10 1 1 A 64 64 ILE CA C 64 62.780 64.178 -1.398 1
1 689 . 10 1 1 A 64 64 ILE CB C 64 37.760 36.931 0.829 1
1 693 . 10 1 1 A 64 64 ILE N N 64 115.601 116.728 -1.127 1
1 694 . 10 1 1 A 65 65 HIS H H 65 7.261 7.173 0.088 1
1 695 . 10 1 1 A 65 65 HIS HA H 65 4.867 4.317 0.550 1
1 700 . 10 1 1 A 65 65 HIS C C 65 175.314 176.456 -1.142 1
1 701 . 10 1 1 A 65 65 HIS CA C 65 54.927 59.474 -4.547 1
1 702 . 10 1 1 A 65 65 HIS CB C 65 28.723 30.948 -2.225 1
1 705 . 10 1 1 A 65 65 HIS N N 65 118.018 119.704 -1.686 1
1 706 . 10 1 1 A 66 66 THR H H 66 7.717 7.131 0.586 1
1 707 . 10 1 1 A 66 66 THR HA H 66 4.433 4.367 0.066 1
1 712 . 10 1 1 A 66 66 THR C C 66 174.569 173.300 1.269 1
1 713 . 10 1 1 A 66 66 THR CA C 66 61.984 60.377 1.607 1
1 714 . 10 1 1 A 66 66 THR CB C 66 69.832 67.781 2.051 1
1 716 . 10 1 1 A 66 66 THR N N 66 112.598 112.703 -0.105 1
1 717 . 10 1 1 A 67 67 SER H H 67 8.272 8.187 0.085 1
1 718 . 10 1 1 A 67 67 SER HA H 67 4.540 4.802 -0.262 1
1 721 . 10 1 1 A 67 67 SER C C 67 174.531 173.886 0.645 1
1 722 . 10 1 1 A 67 67 SER CA C 67 58.517 57.422 1.095 1
1 723 . 10 1 1 A 67 67 SER CB C 67 64.041 65.290 -1.249 1
1 724 . 10 1 1 A 67 67 SER N N 67 117.832 119.829 -1.997 1
1 725 . 10 1 1 A 68 68 GLY H H 68 8.223 8.444 -0.221 1
1 726 . 10 1 1 A 68 68 GLY HA2 H 68 4.153 4.114 0.039 1
1 727 . 10 1 1 A 68 68 GLY HA3 H 68 4.101 4.115 -0.014 1
1 728 . 10 1 1 A 68 68 GLY C C 68 171.817 173.386 -1.569 1
1 729 . 10 1 1 A 68 68 GLY CA C 68 44.704 43.858 0.846 1
1 730 . 10 1 1 A 68 68 GLY N N 68 110.671 107.608 3.063 1
1 731 . 10 1 1 A 69 69 PRO HA H 69 4.469 4.577 -0.108 1
1 738 . 10 1 1 A 69 69 PRO CA C 69 63.244 62.662 0.582 1
1 739 . 10 1 1 A 69 69 PRO CB C 69 32.208 32.475 -0.267 1
1 1 . 11 1 1 A 7 7 GLY HA2 H 7 3.957 4.082 -0.125 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.957 4.129 -0.172 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.124 171.463 2.661 1
1 4 . 11 1 1 A 7 7 GLY CA C 7 45.359 43.522 1.837 1
1 5 . 11 1 1 A 8 8 ILE H H 8 7.939 9.059 -1.120 1
1 6 . 11 1 1 A 8 8 ILE HA H 8 4.106 4.285 -0.179 1
1 16 . 11 1 1 A 8 8 ILE C C 8 176.213 175.098 1.115 1
1 17 . 11 1 1 A 8 8 ILE CA C 8 61.378 60.149 1.229 1
1 18 . 11 1 1 A 8 8 ILE CB C 8 38.603 37.387 1.216 1
1 22 . 11 1 1 A 8 8 ILE N N 8 119.652 121.568 -1.916 1
1 23 . 11 1 1 A 9 9 HIS H H 9 8.409 8.455 -0.046 1
1 24 . 11 1 1 A 9 9 HIS C C 9 175.436 175.272 0.164 1
1 25 . 11 1 1 A 9 9 HIS CA C 9 56.065 55.737 0.328 1
1 26 . 11 1 1 A 9 9 HIS CB C 9 30.677 29.337 1.340 1
1 27 . 11 1 1 A 9 9 HIS N N 9 123.607 128.058 -4.451 1
1 28 . 11 1 1 A 10 10 SER HA H 10 4.484 4.135 0.349 1
1 31 . 11 1 1 A 10 10 SER C C 10 174.981 175.414 -0.433 1
1 32 . 11 1 1 A 10 10 SER CA C 10 58.621 61.118 -2.497 1
1 33 . 11 1 1 A 10 10 SER CB C 10 63.732 63.491 0.241 1
1 34 . 11 1 1 A 11 11 GLY H H 11 8.447 7.821 0.626 1
1 35 . 11 1 1 A 11 11 GLY HA2 H 11 3.936 4.030 -0.094 1
1 36 . 11 1 1 A 11 11 GLY HA3 H 11 3.936 4.031 -0.095 1
1 37 . 11 1 1 A 11 11 GLY C C 11 174.112 174.248 -0.136 1
1 38 . 11 1 1 A 11 11 GLY CA C 11 45.292 44.778 0.514 1
1 39 . 11 1 1 A 11 11 GLY N N 11 110.887 107.149 3.738 1
1 40 . 11 1 1 A 12 12 GLU H H 12 8.200 8.757 -0.557 1
1 41 . 11 1 1 A 12 12 GLU HA H 12 4.174 4.505 -0.331 1
1 46 . 11 1 1 A 12 12 GLU C C 12 176.545 176.786 -0.241 1
1 47 . 11 1 1 A 12 12 GLU CA C 12 56.962 57.381 -0.419 1
1 48 . 11 1 1 A 12 12 GLU CB C 12 30.388 31.787 -1.399 1
1 50 . 11 1 1 A 12 12 GLU N N 12 120.059 120.605 -0.546 1
1 51 . 11 1 1 A 13 13 LYS H H 13 8.280 7.564 0.716 1
1 52 . 11 1 1 A 13 13 LYS HA H 13 4.434 4.402 0.032 1
1 61 . 11 1 1 A 13 13 LYS C C 13 173.760 176.604 -2.844 1
1 62 . 11 1 1 A 13 13 LYS CA C 13 53.742 55.137 -1.395 1
1 63 . 11 1 1 A 13 13 LYS CB C 13 33.067 32.398 0.669 1
1 67 . 11 1 1 A 13 13 LYS N N 13 121.235 119.643 1.592 1
1 68 . 11 1 1 A 14 14 PRO HA H 14 4.268 4.441 -0.173 1
1 75 . 11 1 1 A 14 14 PRO C C 14 176.391 175.730 0.661 1
1 76 . 11 1 1 A 14 14 PRO CA C 14 63.473 64.122 -0.649 1
1 77 . 11 1 1 A 14 14 PRO CB C 14 32.243 31.548 0.695 1
1 80 . 11 1 1 A 15 15 TYR H H 15 7.898 7.561 0.337 1
1 81 . 11 1 1 A 15 15 TYR HA H 15 4.609 5.235 -0.626 1
1 88 . 11 1 1 A 15 15 TYR C C 15 175.259 175.625 -0.366 1
1 89 . 11 1 1 A 15 15 TYR CA C 15 57.252 56.352 0.900 1
1 90 . 11 1 1 A 15 15 TYR CB C 15 37.800 41.317 -3.517 1
1 95 . 11 1 1 A 15 15 TYR N N 15 118.120 119.441 -1.321 1
1 96 . 11 1 1 A 16 16 GLY H H 16 8.420 8.857 -0.437 1
1 97 . 11 1 1 A 16 16 GLY HA2 H 16 4.634 4.478 0.156 1
1 98 . 11 1 1 A 16 16 GLY HA3 H 16 3.568 4.519 -0.951 1
1 99 . 11 1 1 A 16 16 GLY C C 16 172.667 172.670 -0.003 1
1 100 . 11 1 1 A 16 16 GLY CA C 16 44.599 44.792 -0.193 1
1 101 . 11 1 1 A 16 16 GLY N N 16 111.924 109.765 2.159 1
1 102 . 11 1 1 A 17 17 CYS H H 17 9.142 8.642 0.500 1
1 103 . 11 1 1 A 17 17 CYS HA H 17 4.712 4.922 -0.210 1
1 106 . 11 1 1 A 17 17 CYS C C 17 177.696 174.713 2.983 1
1 107 . 11 1 1 A 17 17 CYS CA C 17 58.694 58.341 0.353 1
1 108 . 11 1 1 A 17 17 CYS CB C 17 29.770 29.431 0.339 1
1 109 . 11 1 1 A 17 17 CYS N N 17 125.008 119.159 5.849 1
1 110 . 11 1 1 A 18 18 VAL H H 18 9.089 8.604 0.485 1
1 111 . 11 1 1 A 18 18 VAL HA H 18 4.003 4.180 -0.177 1
1 119 . 11 1 1 A 18 18 VAL C C 18 176.506 177.778 -1.272 1
1 120 . 11 1 1 A 18 18 VAL CA C 18 64.407 63.702 0.705 1
1 121 . 11 1 1 A 18 18 VAL CB C 18 31.744 33.130 -1.386 1
1 124 . 11 1 1 A 18 18 VAL N N 18 129.598 124.510 5.088 1
1 125 . 11 1 1 A 19 19 GLU H H 19 8.413 7.847 0.566 1
1 126 . 11 1 1 A 19 19 GLU HA H 19 4.187 3.848 0.339 1
1 131 . 11 1 1 A 19 19 GLU C C 19 177.385 178.050 -0.665 1
1 132 . 11 1 1 A 19 19 GLU CA C 19 58.535 59.368 -0.833 1
1 133 . 11 1 1 A 19 19 GLU CB C 19 29.358 28.653 0.705 1
1 135 . 11 1 1 A 19 19 GLU N N 19 121.264 122.258 -0.994 1
1 136 . 11 1 1 A 20 20 CYS H H 20 7.854 7.477 0.377 1
1 137 . 11 1 1 A 20 20 CYS HA H 20 5.142 4.751 0.391 1
1 140 . 11 1 1 A 20 20 CYS C C 20 176.237 175.706 0.531 1
1 141 . 11 1 1 A 20 20 CYS CA C 20 58.341 59.576 -1.235 1
1 142 . 11 1 1 A 20 20 CYS CB C 20 32.531 30.137 2.394 1
1 143 . 11 1 1 A 20 20 CYS N N 20 113.736 114.802 -1.066 1
1 144 . 11 1 1 A 21 21 GLY H H 21 8.281 8.149 0.132 1
1 145 . 11 1 1 A 21 21 GLY HA2 H 21 4.216 4.072 0.144 1
1 146 . 11 1 1 A 21 21 GLY HA3 H 21 3.784 4.088 -0.304 1
1 147 . 11 1 1 A 21 21 GLY C C 21 174.288 174.545 -0.257 1
1 148 . 11 1 1 A 21 21 GLY CA C 21 46.159 45.070 1.089 1
1 149 . 11 1 1 A 21 21 GLY N N 21 113.574 110.152 3.422 1
1 150 . 11 1 1 A 22 22 LYS H H 22 7.891 7.644 0.247 1
1 151 . 11 1 1 A 22 22 LYS HA H 22 3.989 4.062 -0.073 1
1 160 . 11 1 1 A 22 22 LYS C C 22 173.452 175.381 -1.929 1
1 161 . 11 1 1 A 22 22 LYS CA C 22 57.789 55.931 1.858 1
1 162 . 11 1 1 A 22 22 LYS CB C 22 34.125 32.532 1.593 1
1 166 . 11 1 1 A 22 22 LYS N N 22 122.877 122.565 0.312 1
1 167 . 11 1 1 A 23 23 ALA H H 23 7.645 8.155 -0.510 1
1 168 . 11 1 1 A 23 23 ALA HA H 23 4.925 4.743 0.182 1
1 172 . 11 1 1 A 23 23 ALA C C 23 175.868 176.442 -0.574 1
1 173 . 11 1 1 A 23 23 ALA CA C 23 50.523 51.339 -0.816 1
1 174 . 11 1 1 A 23 23 ALA CB C 23 22.145 20.185 1.960 1
1 175 . 11 1 1 A 23 23 ALA N N 23 122.280 128.674 -6.394 1
1 176 . 11 1 1 A 24 24 PHE H H 24 8.337 8.927 -0.590 1
1 177 . 11 1 1 A 24 24 PHE HA H 24 4.890 4.927 -0.037 1
1 185 . 11 1 1 A 24 24 PHE C C 24 175.994 175.993 0.001 1
1 186 . 11 1 1 A 24 24 PHE CA C 24 56.926 57.134 -0.208 1
1 187 . 11 1 1 A 24 24 PHE CB C 24 43.626 42.920 0.706 1
1 193 . 11 1 1 A 24 24 PHE N N 24 116.352 117.927 -1.575 1
1 194 . 11 1 1 A 25 25 SER H H 25 9.344 8.986 0.358 1
1 195 . 11 1 1 A 25 25 SER HA H 25 4.612 4.400 0.212 1
1 198 . 11 1 1 A 25 25 SER C C 25 174.148 174.359 -0.211 1
1 199 . 11 1 1 A 25 25 SER CA C 25 60.554 60.180 0.374 1
1 200 . 11 1 1 A 25 25 SER CB C 25 64.329 63.330 0.999 1
1 201 . 11 1 1 A 25 25 SER N N 25 115.148 117.369 -2.221 1
1 202 . 11 1 1 A 26 26 ARG H H 26 7.040 7.692 -0.652 1
1 203 . 11 1 1 A 26 26 ARG HA H 26 4.719 4.637 0.082 1
1 210 . 11 1 1 A 26 26 ARG C C 26 176.116 176.380 -0.264 1
1 211 . 11 1 1 A 26 26 ARG CA C 26 54.417 53.915 0.502 1
1 212 . 11 1 1 A 26 26 ARG CB C 26 34.587 33.761 0.826 1
1 215 . 11 1 1 A 26 26 ARG N N 26 115.877 121.590 -5.713 1
1 216 . 11 1 1 A 27 27 SER H H 27 8.441 8.470 -0.029 1
1 217 . 11 1 1 A 27 27 SER HA H 27 3.278 3.671 -0.393 1
1 220 . 11 1 1 A 27 27 SER CA C 27 61.160 61.611 -0.451 1
1 221 . 11 1 1 A 27 27 SER CB C 27 61.910 62.080 -0.170 1
1 222 . 11 1 1 A 27 27 SER N N 27 120.683 117.712 2.971 1
1 223 . 11 1 1 A 28 28 SER HA H 28 3.969 4.039 -0.070 1
1 226 . 11 1 1 A 28 28 SER C C 28 176.640 176.055 0.585 1
1 227 . 11 1 1 A 28 28 SER CA C 28 61.029 62.170 -1.141 1
1 228 . 11 1 1 A 28 28 SER CB C 28 61.506 62.720 -1.214 1
1 229 . 11 1 1 A 29 29 ILE H H 29 6.628 7.724 -1.096 1
1 230 . 11 1 1 A 29 29 ILE HA H 29 3.725 3.653 0.072 1
1 240 . 11 1 1 A 29 29 ILE C C 29 178.108 177.699 0.409 1
1 241 . 11 1 1 A 29 29 ILE CA C 29 63.470 64.745 -1.275 1
1 242 . 11 1 1 A 29 29 ILE CB C 29 38.013 37.481 0.532 1
1 246 . 11 1 1 A 29 29 ILE N N 29 122.549 121.285 1.264 1
1 247 . 11 1 1 A 30 30 LEU H H 30 7.003 7.636 -0.633 1
1 248 . 11 1 1 A 30 30 LEU HA H 30 3.511 2.195 1.316 1
1 258 . 11 1 1 A 30 30 LEU C C 30 177.880 178.311 -0.431 1
1 259 . 11 1 1 A 30 30 LEU CA C 30 58.394 57.471 0.923 1
1 260 . 11 1 1 A 30 30 LEU CB C 30 40.239 41.675 -1.436 1
1 264 . 11 1 1 A 30 30 LEU N N 30 122.518 121.892 0.626 1
1 265 . 11 1 1 A 31 31 VAL H H 31 8.203 8.158 0.045 1
1 266 . 11 1 1 A 31 31 VAL HA H 31 3.709 3.417 0.292 1
1 274 . 11 1 1 A 31 31 VAL C C 31 179.070 177.354 1.716 1
1 275 . 11 1 1 A 31 31 VAL CA C 31 66.618 66.873 -0.255 1
1 276 . 11 1 1 A 31 31 VAL CB C 31 31.624 31.385 0.239 1
1 279 . 11 1 1 A 31 31 VAL N N 31 118.600 119.384 -0.784 1
1 280 . 11 1 1 A 32 32 GLN H H 32 7.323 7.917 -0.594 1
1 281 . 11 1 1 A 32 32 GLN HA H 32 3.927 3.997 -0.070 1
1 288 . 11 1 1 A 32 32 GLN C C 32 178.751 178.371 0.380 1
1 289 . 11 1 1 A 32 32 GLN CA C 32 58.772 58.599 0.173 1
1 290 . 11 1 1 A 32 32 GLN CB C 32 28.368 27.897 0.471 1
1 292 . 11 1 1 A 32 32 GLN N N 32 118.113 118.220 -0.107 1
1 294 . 11 1 1 A 33 33 HIS H H 33 8.046 7.713 0.333 1
1 295 . 11 1 1 A 33 33 HIS HA H 33 4.148 4.202 -0.054 1
1 300 . 11 1 1 A 33 33 HIS C C 33 176.164 176.967 -0.803 1
1 301 . 11 1 1 A 33 33 HIS CA C 33 59.033 58.337 0.696 1
1 302 . 11 1 1 A 33 33 HIS CB C 33 27.726 30.401 -2.675 1
1 305 . 11 1 1 A 33 33 HIS N N 33 120.097 120.546 -0.449 1
1 306 . 11 1 1 A 34 34 GLN H H 34 8.348 7.920 0.428 1
1 307 . 11 1 1 A 34 34 GLN HA H 34 3.630 4.261 -0.631 1
1 314 . 11 1 1 A 34 34 GLN C C 34 177.457 178.285 -0.828 1
1 315 . 11 1 1 A 34 34 GLN CA C 34 59.367 57.492 1.875 1
1 316 . 11 1 1 A 34 34 GLN CB C 34 28.158 28.905 -0.747 1
1 318 . 11 1 1 A 34 34 GLN N N 34 115.621 117.778 -2.157 1
1 320 . 11 1 1 A 35 35 ARG H H 35 7.167 7.606 -0.439 1
1 321 . 11 1 1 A 35 35 ARG HA H 35 4.094 4.053 0.041 1
1 328 . 11 1 1 A 35 35 ARG C C 35 178.544 178.862 -0.318 1
1 329 . 11 1 1 A 35 35 ARG CA C 35 58.553 59.362 -0.809 1
1 330 . 11 1 1 A 35 35 ARG CB C 35 30.016 30.769 -0.753 1
1 333 . 11 1 1 A 35 35 ARG N N 35 117.694 120.581 -2.887 1
1 334 . 11 1 1 A 36 36 VAL H H 36 7.878 7.475 0.403 1
1 335 . 11 1 1 A 36 36 VAL HA H 36 3.885 3.742 0.143 1
1 343 . 11 1 1 A 36 36 VAL C C 36 177.246 178.051 -0.805 1
1 344 . 11 1 1 A 36 36 VAL CA C 36 63.924 65.643 -1.719 1
1 345 . 11 1 1 A 36 36 VAL CB C 36 31.137 31.227 -0.090 1
1 348 . 11 1 1 A 36 36 VAL N N 36 116.056 117.512 -1.456 1
1 349 . 11 1 1 A 37 37 HIS H H 37 7.151 8.134 -0.983 1
1 350 . 11 1 1 A 37 37 HIS HA H 37 4.877 4.350 0.527 1
1 355 . 11 1 1 A 37 37 HIS C C 37 175.769 176.341 -0.572 1
1 356 . 11 1 1 A 37 37 HIS CA C 37 55.034 58.730 -3.696 1
1 357 . 11 1 1 A 37 37 HIS CB C 37 28.415 29.813 -1.398 1
1 360 . 11 1 1 A 37 37 HIS N N 37 117.486 120.115 -2.629 1
1 361 . 11 1 1 A 38 38 THR H H 38 7.769 7.556 0.213 1
1 362 . 11 1 1 A 38 38 THR HA H 38 4.288 4.114 0.174 1
1 367 . 11 1 1 A 38 38 THR C C 38 175.391 174.873 0.518 1
1 368 . 11 1 1 A 38 38 THR CA C 38 62.697 62.383 0.314 1
1 369 . 11 1 1 A 38 38 THR CB C 38 69.738 69.349 0.389 1
1 371 . 11 1 1 A 38 38 THR N N 38 112.779 112.654 0.125 1
1 372 . 11 1 1 A 39 39 GLY H H 39 8.251 8.738 -0.487 1
1 373 . 11 1 1 A 39 39 GLY HA2 H 39 3.994 3.879 0.115 1
1 374 . 11 1 1 A 39 39 GLY HA3 H 39 3.920 3.896 0.024 1
1 375 . 11 1 1 A 39 39 GLY C C 39 174.076 174.351 -0.275 1
1 376 . 11 1 1 A 39 39 GLY CA C 39 45.288 47.316 -2.028 1
1 377 . 11 1 1 A 39 39 GLY N N 39 110.331 115.433 -5.102 1
1 378 . 11 1 1 A 40 40 GLU H H 40 8.076 8.302 -0.226 1
1 379 . 11 1 1 A 40 40 GLU HA H 40 4.139 4.544 -0.405 1
1 384 . 11 1 1 A 40 40 GLU C C 40 176.602 176.655 -0.053 1
1 385 . 11 1 1 A 40 40 GLU CA C 40 56.915 57.200 -0.285 1
1 386 . 11 1 1 A 40 40 GLU CB C 40 30.414 31.598 -1.184 1
1 388 . 11 1 1 A 40 40 GLU N N 40 120.155 120.972 -0.817 1
1 389 . 11 1 1 A 41 41 LYS H H 41 8.274 7.956 0.318 1
1 390 . 11 1 1 A 41 41 LYS HA H 41 4.496 4.786 -0.290 1
1 399 . 11 1 1 A 41 41 LYS C C 41 173.906 174.682 -0.776 1
1 400 . 11 1 1 A 41 41 LYS CA C 41 53.865 53.918 -0.053 1
1 401 . 11 1 1 A 41 41 LYS CB C 41 33.372 33.051 0.321 1
1 405 . 11 1 1 A 41 41 LYS N N 41 121.689 119.420 2.269 1
1 406 . 11 1 1 A 42 42 PRO HA H 42 4.253 4.457 -0.204 1
1 413 . 11 1 1 A 42 42 PRO C C 42 176.660 175.776 0.884 1
1 414 . 11 1 1 A 42 42 PRO CA C 42 63.718 64.565 -0.847 1
1 415 . 11 1 1 A 42 42 PRO CB C 42 32.320 31.608 0.712 1
1 418 . 11 1 1 A 43 43 TYR H H 43 7.693 7.209 0.484 1
1 419 . 11 1 1 A 43 43 TYR HA H 43 4.600 4.954 -0.354 1
1 426 . 11 1 1 A 43 43 TYR C C 43 174.460 174.620 -0.160 1
1 427 . 11 1 1 A 43 43 TYR CA C 43 57.722 57.356 0.366 1
1 428 . 11 1 1 A 43 43 TYR CB C 43 37.840 39.368 -1.528 1
1 433 . 11 1 1 A 43 43 TYR N N 43 118.327 117.968 0.359 1
1 434 . 11 1 1 A 44 44 LYS H H 44 8.335 9.093 -0.758 1
1 435 . 11 1 1 A 44 44 LYS HA H 44 4.826 5.536 -0.710 1
1 444 . 11 1 1 A 44 44 LYS C C 44 174.679 174.917 -0.238 1
1 445 . 11 1 1 A 44 44 LYS CA C 44 55.423 54.291 1.132 1
1 446 . 11 1 1 A 44 44 LYS CB C 44 35.380 36.159 -0.779 1
1 450 . 11 1 1 A 44 44 LYS N N 44 125.187 125.388 -0.201 1
1 451 . 11 1 1 A 45 45 CYS H H 45 9.250 9.401 -0.151 1
1 452 . 11 1 1 A 45 45 CYS HA H 45 4.536 4.789 -0.253 1
1 455 . 11 1 1 A 45 45 CYS C C 45 177.400 174.704 2.696 1
1 456 . 11 1 1 A 45 45 CYS CA C 45 59.384 58.965 0.419 1
1 457 . 11 1 1 A 45 45 CYS CB C 45 29.482 29.209 0.273 1
1 458 . 11 1 1 A 45 45 CYS N N 45 126.431 123.697 2.734 1
1 459 . 11 1 1 A 46 46 LEU H H 46 9.297 8.580 0.717 1
1 460 . 11 1 1 A 46 46 LEU HA H 46 4.192 4.603 -0.411 1
1 470 . 11 1 1 A 46 46 LEU C C 46 177.806 177.736 0.070 1
1 471 . 11 1 1 A 46 46 LEU CA C 46 56.944 55.209 1.735 1
1 472 . 11 1 1 A 46 46 LEU CB C 46 41.269 43.828 -2.559 1
1 476 . 11 1 1 A 46 46 LEU N N 46 132.501 127.475 5.026 1
1 477 . 11 1 1 A 47 47 GLU H H 47 8.568 8.115 0.453 1
1 478 . 11 1 1 A 47 47 GLU HA H 47 4.161 3.960 0.201 1
1 483 . 11 1 1 A 47 47 GLU C C 47 177.358 177.809 -0.451 1
1 484 . 11 1 1 A 47 47 GLU CA C 47 58.545 59.603 -1.058 1
1 485 . 11 1 1 A 47 47 GLU CB C 47 29.500 29.535 -0.035 1
1 487 . 11 1 1 A 47 47 GLU N N 47 120.165 121.395 -1.230 1
1 488 . 11 1 1 A 48 48 CYS H H 48 7.979 7.831 0.148 1
1 489 . 11 1 1 A 48 48 CYS HA H 48 5.182 4.671 0.511 1
1 492 . 11 1 1 A 48 48 CYS C C 48 176.224 175.332 0.892 1
1 493 . 11 1 1 A 48 48 CYS CA C 48 58.210 59.335 -1.125 1
1 494 . 11 1 1 A 48 48 CYS CB C 48 32.531 30.031 2.500 1
1 495 . 11 1 1 A 48 48 CYS N N 48 114.531 115.611 -1.080 1
1 496 . 11 1 1 A 49 49 GLY H H 49 8.156 7.962 0.194 1
1 497 . 11 1 1 A 49 49 GLY HA2 H 49 4.273 4.085 0.188 1
1 498 . 11 1 1 A 49 49 GLY HA3 H 49 3.771 4.116 -0.345 1
1 499 . 11 1 1 A 49 49 GLY C C 49 173.907 172.371 1.536 1
1 500 . 11 1 1 A 49 49 GLY CA C 49 46.207 44.911 1.296 1
1 501 . 11 1 1 A 49 49 GLY N N 49 113.613 109.268 4.345 1
1 502 . 11 1 1 A 50 50 LYS H H 50 7.961 8.700 -0.739 1
1 503 . 11 1 1 A 50 50 LYS HA H 50 3.936 4.680 -0.744 1
1 512 . 11 1 1 A 50 50 LYS C C 50 173.571 174.050 -0.479 1
1 513 . 11 1 1 A 50 50 LYS CA C 50 58.199 55.494 2.705 1
1 514 . 11 1 1 A 50 50 LYS CB C 50 33.479 36.327 -2.848 1
1 518 . 11 1 1 A 50 50 LYS N N 50 123.259 125.332 -2.073 1
1 519 . 11 1 1 A 51 51 ALA H H 51 7.740 8.452 -0.712 1
1 520 . 11 1 1 A 51 51 ALA HA H 51 5.179 5.520 -0.341 1
1 524 . 11 1 1 A 51 51 ALA C C 51 175.844 176.432 -0.588 1
1 525 . 11 1 1 A 51 51 ALA CA C 51 50.329 50.681 -0.352 1
1 526 . 11 1 1 A 51 51 ALA CB C 51 22.741 21.299 1.442 1
1 527 . 11 1 1 A 51 51 ALA N N 51 123.792 127.388 -3.596 1
1 528 . 11 1 1 A 52 52 PHE H H 52 8.698 9.061 -0.363 1
1 529 . 11 1 1 A 52 52 PHE HA H 52 4.653 4.936 -0.283 1
1 537 . 11 1 1 A 52 52 PHE C C 52 175.640 175.745 -0.105 1
1 538 . 11 1 1 A 52 52 PHE CA C 52 57.636 57.024 0.612 1
1 539 . 11 1 1 A 52 52 PHE CB C 52 43.314 42.874 0.440 1
1 545 . 11 1 1 A 52 52 PHE N N 52 116.792 117.817 -1.025 1
1 546 . 11 1 1 A 53 53 SER H H 53 9.246 8.960 0.286 1
1 547 . 11 1 1 A 53 53 SER HA H 53 4.627 4.828 -0.201 1
1 550 . 11 1 1 A 53 53 SER C C 53 173.837 173.736 0.101 1
1 551 . 11 1 1 A 53 53 SER CA C 53 60.959 61.434 -0.475 1
1 552 . 11 1 1 A 53 53 SER CB C 53 64.077 63.550 0.527 1
1 553 . 11 1 1 A 53 53 SER N N 53 116.932 118.423 -1.491 1
1 554 . 11 1 1 A 54 54 GLN H H 54 7.873 8.083 -0.210 1
1 555 . 11 1 1 A 54 54 GLN HA H 54 4.774 4.835 -0.061 1
1 562 . 11 1 1 A 54 54 GLN C C 54 176.112 175.375 0.737 1
1 563 . 11 1 1 A 54 54 GLN CA C 54 53.972 54.399 -0.427 1
1 564 . 11 1 1 A 54 54 GLN CB C 54 32.160 31.734 0.426 1
1 566 . 11 1 1 A 54 54 GLN N N 54 116.030 117.462 -1.432 1
1 568 . 11 1 1 A 55 55 ASN H H 55 8.494 7.993 0.501 1
1 569 . 11 1 1 A 55 55 ASN HA H 55 3.540 3.723 -0.183 1
1 574 . 11 1 1 A 55 55 ASN C C 55 177.306 176.624 0.682 1
1 575 . 11 1 1 A 55 55 ASN CA C 55 56.094 56.240 -0.146 1
1 576 . 11 1 1 A 55 55 ASN CB C 55 38.260 37.840 0.420 1
1 577 . 11 1 1 A 55 55 ASN N N 55 124.248 122.536 1.712 1
1 579 . 11 1 1 A 56 56 SER HA H 56 3.867 4.116 -0.249 1
1 582 . 11 1 1 A 56 56 SER C C 56 176.822 176.894 -0.072 1
1 583 . 11 1 1 A 56 56 SER CA C 56 60.888 61.135 -0.247 1
1 584 . 11 1 1 A 56 56 SER CB C 56 61.588 62.794 -1.206 1
1 585 . 11 1 1 A 57 57 GLY H H 57 7.104 7.966 -0.862 1
1 586 . 11 1 1 A 57 57 GLY HA2 H 57 3.893 3.661 0.232 1
1 587 . 11 1 1 A 57 57 GLY HA3 H 57 3.718 3.686 0.032 1
1 588 . 11 1 1 A 57 57 GLY C C 57 175.641 175.353 0.288 1
1 589 . 11 1 1 A 57 57 GLY CA C 57 46.508 46.763 -0.255 1
1 590 . 11 1 1 A 57 57 GLY N N 57 109.816 107.090 2.726 1
1 591 . 11 1 1 A 58 58 LEU H H 58 6.781 7.514 -0.733 1
1 592 . 11 1 1 A 58 58 LEU HA H 58 3.288 2.604 0.684 1
1 602 . 11 1 1 A 58 58 LEU C C 58 177.650 178.240 -0.590 1
1 603 . 11 1 1 A 58 58 LEU CA C 58 57.726 56.421 1.305 1
1 604 . 11 1 1 A 58 58 LEU CB C 58 40.656 40.950 -0.294 1
1 608 . 11 1 1 A 58 58 LEU N N 58 124.058 122.030 2.028 1
1 609 . 11 1 1 A 59 59 ILE H H 59 8.281 8.105 0.176 1
1 610 . 11 1 1 A 59 59 ILE HA H 59 3.686 3.339 0.347 1
1 620 . 11 1 1 A 59 59 ILE C C 59 179.220 177.653 1.567 1
1 621 . 11 1 1 A 59 59 ILE CA C 59 64.389 65.572 -1.183 1
1 622 . 11 1 1 A 59 59 ILE CB C 59 37.545 38.123 -0.578 1
1 626 . 11 1 1 A 59 59 ILE N N 59 119.575 119.167 0.408 1
1 627 . 11 1 1 A 60 60 ASN H H 60 7.677 8.230 -0.553 1
1 628 . 11 1 1 A 60 60 ASN HA H 60 4.326 4.411 -0.085 1
1 633 . 11 1 1 A 60 60 ASN C C 60 177.688 177.175 0.513 1
1 634 . 11 1 1 A 60 60 ASN CA C 60 56.183 55.709 0.474 1
1 635 . 11 1 1 A 60 60 ASN CB C 60 38.549 38.831 -0.282 1
1 636 . 11 1 1 A 60 60 ASN N N 60 116.791 118.804 -2.013 1
1 638 . 11 1 1 A 61 61 HIS H H 61 7.526 7.374 0.152 1
1 639 . 11 1 1 A 61 61 HIS HA H 61 4.172 4.252 -0.080 1
1 643 . 11 1 1 A 61 61 HIS C C 61 176.063 176.014 0.049 1
1 644 . 11 1 1 A 61 61 HIS CA C 61 58.924 57.635 1.289 1
1 645 . 11 1 1 A 61 61 HIS CB C 61 29.110 30.210 -1.100 1
1 647 . 11 1 1 A 61 61 HIS N N 61 119.310 118.881 0.429 1
1 648 . 11 1 1 A 62 62 GLN H H 62 8.345 8.030 0.315 1
1 649 . 11 1 1 A 62 62 GLN HA H 62 3.631 4.213 -0.582 1
1 656 . 11 1 1 A 62 62 GLN C C 62 177.302 178.054 -0.752 1
1 657 . 11 1 1 A 62 62 GLN CA C 62 59.260 56.663 2.597 1
1 658 . 11 1 1 A 62 62 GLN CB C 62 28.161 29.730 -1.569 1
1 660 . 11 1 1 A 62 62 GLN N N 62 115.573 117.285 -1.712 1
1 662 . 11 1 1 A 63 63 ARG H H 63 7.029 7.980 -0.951 1
1 663 . 11 1 1 A 63 63 ARG HA H 63 4.091 4.036 0.055 1
1 670 . 11 1 1 A 63 63 ARG C C 63 178.257 177.886 0.371 1
1 671 . 11 1 1 A 63 63 ARG CA C 63 58.505 58.557 -0.052 1
1 672 . 11 1 1 A 63 63 ARG CB C 63 30.046 29.526 0.520 1
1 675 . 11 1 1 A 63 63 ARG N N 63 117.521 118.800 -1.279 1
1 676 . 11 1 1 A 64 64 ILE H H 64 7.763 7.412 0.351 1
1 677 . 11 1 1 A 64 64 ILE HA H 64 3.988 3.715 0.273 1
1 687 . 11 1 1 A 64 64 ILE C C 64 177.138 177.686 -0.548 1
1 688 . 11 1 1 A 64 64 ILE CA C 64 62.780 64.248 -1.468 1
1 689 . 11 1 1 A 64 64 ILE CB C 64 37.760 37.344 0.416 1
1 693 . 11 1 1 A 64 64 ILE N N 64 115.601 116.125 -0.524 1
1 694 . 11 1 1 A 65 65 HIS H H 65 7.261 7.451 -0.190 1
1 695 . 11 1 1 A 65 65 HIS HA H 65 4.867 4.272 0.595 1
1 700 . 11 1 1 A 65 65 HIS C C 65 175.314 178.116 -2.802 1
1 701 . 11 1 1 A 65 65 HIS CA C 65 54.927 59.297 -4.370 1
1 702 . 11 1 1 A 65 65 HIS CB C 65 28.723 29.757 -1.034 1
1 705 . 11 1 1 A 65 65 HIS N N 65 118.018 121.287 -3.269 1
1 706 . 11 1 1 A 66 66 THR H H 66 7.717 7.858 -0.141 1
1 707 . 11 1 1 A 66 66 THR HA H 66 4.433 3.876 0.557 1
1 712 . 11 1 1 A 66 66 THR C C 66 174.569 174.734 -0.165 1
1 713 . 11 1 1 A 66 66 THR CA C 66 61.984 64.677 -2.693 1
1 714 . 11 1 1 A 66 66 THR CB C 66 69.832 68.782 1.050 1
1 716 . 11 1 1 A 66 66 THR N N 66 112.598 113.773 -1.175 1
1 717 . 11 1 1 A 67 67 SER H H 67 8.272 8.077 0.195 1
1 718 . 11 1 1 A 67 67 SER HA H 67 4.540 4.563 -0.023 1
1 721 . 11 1 1 A 67 67 SER C C 67 174.531 173.160 1.371 1
1 722 . 11 1 1 A 67 67 SER CA C 67 58.517 56.932 1.585 1
1 723 . 11 1 1 A 67 67 SER CB C 67 64.041 63.006 1.035 1
1 724 . 11 1 1 A 67 67 SER N N 67 117.832 116.174 1.658 1
1 725 . 11 1 1 A 68 68 GLY H H 68 8.223 8.322 -0.099 1
1 726 . 11 1 1 A 68 68 GLY HA2 H 68 4.153 4.192 -0.039 1
1 727 . 11 1 1 A 68 68 GLY HA3 H 68 4.101 4.194 -0.093 1
1 728 . 11 1 1 A 68 68 GLY C C 68 171.817 174.023 -2.206 1
1 729 . 11 1 1 A 68 68 GLY CA C 68 44.704 45.432 -0.728 1
1 730 . 11 1 1 A 68 68 GLY N N 68 110.671 113.241 -2.570 1
1 731 . 11 1 1 A 69 69 PRO HA H 69 4.469 4.340 0.129 1
1 738 . 11 1 1 A 69 69 PRO CA C 69 63.244 64.784 -1.540 1
1 739 . 11 1 1 A 69 69 PRO CB C 69 32.208 32.016 0.192 1
1 1 . 12 1 1 A 7 7 GLY HA2 H 7 3.957 4.199 -0.242 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.957 4.208 -0.251 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.124 172.505 1.619 1
1 4 . 12 1 1 A 7 7 GLY CA C 7 45.359 45.150 0.209 1
1 5 . 12 1 1 A 8 8 ILE H H 8 7.939 9.446 -1.507 1
1 6 . 12 1 1 A 8 8 ILE HA H 8 4.106 4.552 -0.446 1
1 16 . 12 1 1 A 8 8 ILE C C 8 176.213 176.047 0.166 1
1 17 . 12 1 1 A 8 8 ILE CA C 8 61.378 60.191 1.187 1
1 18 . 12 1 1 A 8 8 ILE CB C 8 38.603 37.683 0.920 1
1 22 . 12 1 1 A 8 8 ILE N N 8 119.652 127.356 -7.704 1
1 23 . 12 1 1 A 9 9 HIS H H 9 8.409 8.323 0.086 1
1 24 . 12 1 1 A 9 9 HIS C C 9 175.436 174.855 0.581 1
1 25 . 12 1 1 A 9 9 HIS CA C 9 56.065 55.239 0.826 1
1 26 . 12 1 1 A 9 9 HIS CB C 9 30.677 29.867 0.810 1
1 27 . 12 1 1 A 9 9 HIS N N 9 123.607 122.550 1.057 1
1 28 . 12 1 1 A 10 10 SER HA H 10 4.484 4.591 -0.107 1
1 31 . 12 1 1 A 10 10 SER C C 10 174.981 173.472 1.509 1
1 32 . 12 1 1 A 10 10 SER CA C 10 58.621 58.152 0.469 1
1 33 . 12 1 1 A 10 10 SER CB C 10 63.732 63.806 -0.074 1
1 34 . 12 1 1 A 11 11 GLY H H 11 8.447 8.499 -0.052 1
1 35 . 12 1 1 A 11 11 GLY HA2 H 11 3.936 4.161 -0.225 1
1 36 . 12 1 1 A 11 11 GLY HA3 H 11 3.936 4.161 -0.225 1
1 37 . 12 1 1 A 11 11 GLY C C 11 174.112 173.282 0.830 1
1 38 . 12 1 1 A 11 11 GLY CA C 11 45.292 45.452 -0.160 1
1 39 . 12 1 1 A 11 11 GLY N N 11 110.887 113.120 -2.233 1
1 40 . 12 1 1 A 12 12 GLU H H 12 8.200 8.655 -0.455 1
1 41 . 12 1 1 A 12 12 GLU HA H 12 4.174 4.529 -0.355 1
1 46 . 12 1 1 A 12 12 GLU C C 12 176.545 175.019 1.526 1
1 47 . 12 1 1 A 12 12 GLU CA C 12 56.962 56.209 0.753 1
1 48 . 12 1 1 A 12 12 GLU CB C 12 30.388 29.023 1.365 1
1 50 . 12 1 1 A 12 12 GLU N N 12 120.059 121.668 -1.609 1
1 51 . 12 1 1 A 13 13 LYS H H 13 8.280 7.333 0.947 1
1 52 . 12 1 1 A 13 13 LYS HA H 13 4.434 4.869 -0.435 1
1 61 . 12 1 1 A 13 13 LYS C C 13 173.760 175.452 -1.692 1
1 62 . 12 1 1 A 13 13 LYS CA C 13 53.742 53.271 0.471 1
1 63 . 12 1 1 A 13 13 LYS CB C 13 33.067 32.751 0.316 1
1 67 . 12 1 1 A 13 13 LYS N N 13 121.235 120.165 1.070 1
1 68 . 12 1 1 A 14 14 PRO HA H 14 4.268 4.523 -0.255 1
1 75 . 12 1 1 A 14 14 PRO C C 14 176.391 175.858 0.533 1
1 76 . 12 1 1 A 14 14 PRO CA C 14 63.473 64.176 -0.703 1
1 77 . 12 1 1 A 14 14 PRO CB C 14 32.243 31.742 0.501 1
1 80 . 12 1 1 A 15 15 TYR H H 15 7.898 7.537 0.361 1
1 81 . 12 1 1 A 15 15 TYR HA H 15 4.609 5.114 -0.505 1
1 88 . 12 1 1 A 15 15 TYR C C 15 175.259 175.250 0.009 1
1 89 . 12 1 1 A 15 15 TYR CA C 15 57.252 56.539 0.713 1
1 90 . 12 1 1 A 15 15 TYR CB C 15 37.800 40.698 -2.898 1
1 95 . 12 1 1 A 15 15 TYR N N 15 118.120 119.457 -1.337 1
1 96 . 12 1 1 A 16 16 GLY H H 16 8.420 8.918 -0.498 1
1 97 . 12 1 1 A 16 16 GLY HA2 H 16 4.634 4.365 0.269 1
1 98 . 12 1 1 A 16 16 GLY HA3 H 16 3.568 4.385 -0.817 1
1 99 . 12 1 1 A 16 16 GLY C C 16 172.667 172.465 0.202 1
1 100 . 12 1 1 A 16 16 GLY CA C 16 44.599 44.246 0.353 1
1 101 . 12 1 1 A 16 16 GLY N N 16 111.924 111.329 0.595 1
1 102 . 12 1 1 A 17 17 CYS H H 17 9.142 9.290 -0.148 1
1 103 . 12 1 1 A 17 17 CYS HA H 17 4.712 4.770 -0.058 1
1 106 . 12 1 1 A 17 17 CYS C C 17 177.696 175.247 2.449 1
1 107 . 12 1 1 A 17 17 CYS CA C 17 58.694 58.926 -0.232 1
1 108 . 12 1 1 A 17 17 CYS CB C 17 29.770 29.023 0.747 1
1 109 . 12 1 1 A 17 17 CYS N N 17 125.008 120.179 4.829 1
1 110 . 12 1 1 A 18 18 VAL H H 18 9.089 8.312 0.777 1
1 111 . 12 1 1 A 18 18 VAL HA H 18 4.003 4.106 -0.103 1
1 119 . 12 1 1 A 18 18 VAL C C 18 176.506 177.716 -1.210 1
1 120 . 12 1 1 A 18 18 VAL CA C 18 64.407 64.049 0.358 1
1 121 . 12 1 1 A 18 18 VAL CB C 18 31.744 32.645 -0.901 1
1 124 . 12 1 1 A 18 18 VAL N N 18 129.598 125.596 4.002 1
1 125 . 12 1 1 A 19 19 GLU H H 19 8.413 7.950 0.463 1
1 126 . 12 1 1 A 19 19 GLU HA H 19 4.187 3.921 0.266 1
1 131 . 12 1 1 A 19 19 GLU C C 19 177.385 178.024 -0.639 1
1 132 . 12 1 1 A 19 19 GLU CA C 19 58.535 59.490 -0.955 1
1 133 . 12 1 1 A 19 19 GLU CB C 19 29.358 29.185 0.173 1
1 135 . 12 1 1 A 19 19 GLU N N 19 121.264 122.050 -0.786 1
1 136 . 12 1 1 A 20 20 CYS H H 20 7.854 7.472 0.382 1
1 137 . 12 1 1 A 20 20 CYS HA H 20 5.142 4.780 0.362 1
1 140 . 12 1 1 A 20 20 CYS C C 20 176.237 175.630 0.607 1
1 141 . 12 1 1 A 20 20 CYS CA C 20 58.341 59.296 -0.955 1
1 142 . 12 1 1 A 20 20 CYS CB C 20 32.531 30.268 2.263 1
1 143 . 12 1 1 A 20 20 CYS N N 20 113.736 114.260 -0.524 1
1 144 . 12 1 1 A 21 21 GLY H H 21 8.281 7.947 0.334 1
1 145 . 12 1 1 A 21 21 GLY HA2 H 21 4.216 4.052 0.164 1
1 146 . 12 1 1 A 21 21 GLY HA3 H 21 3.784 4.059 -0.275 1
1 147 . 12 1 1 A 21 21 GLY C C 21 174.288 174.589 -0.301 1
1 148 . 12 1 1 A 21 21 GLY CA C 21 46.159 45.386 0.773 1
1 149 . 12 1 1 A 21 21 GLY N N 21 113.574 109.385 4.189 1
1 150 . 12 1 1 A 22 22 LYS H H 22 7.891 7.611 0.280 1
1 151 . 12 1 1 A 22 22 LYS HA H 22 3.989 3.998 -0.009 1
1 160 . 12 1 1 A 22 22 LYS C C 22 173.452 175.615 -2.163 1
1 161 . 12 1 1 A 22 22 LYS CA C 22 57.789 56.914 0.875 1
1 162 . 12 1 1 A 22 22 LYS CB C 22 34.125 33.120 1.005 1
1 166 . 12 1 1 A 22 22 LYS N N 22 122.877 122.342 0.535 1
1 167 . 12 1 1 A 23 23 ALA H H 23 7.645 8.137 -0.492 1
1 168 . 12 1 1 A 23 23 ALA HA H 23 4.925 5.483 -0.558 1
1 172 . 12 1 1 A 23 23 ALA C C 23 175.868 175.431 0.437 1
1 173 . 12 1 1 A 23 23 ALA CA C 23 50.523 49.811 0.712 1
1 174 . 12 1 1 A 23 23 ALA CB C 23 22.145 22.776 -0.631 1
1 175 . 12 1 1 A 23 23 ALA N N 23 122.280 128.606 -6.326 1
1 176 . 12 1 1 A 24 24 PHE H H 24 8.337 8.842 -0.505 1
1 177 . 12 1 1 A 24 24 PHE HA H 24 4.890 4.884 0.006 1
1 185 . 12 1 1 A 24 24 PHE C C 24 175.994 176.058 -0.064 1
1 186 . 12 1 1 A 24 24 PHE CA C 24 56.926 56.917 0.009 1
1 187 . 12 1 1 A 24 24 PHE CB C 24 43.626 42.478 1.148 1
1 193 . 12 1 1 A 24 24 PHE N N 24 116.352 117.504 -1.152 1
1 194 . 12 1 1 A 25 25 SER H H 25 9.344 8.936 0.408 1
1 195 . 12 1 1 A 25 25 SER HA H 25 4.612 4.271 0.341 1
1 198 . 12 1 1 A 25 25 SER C C 25 174.148 174.742 -0.594 1
1 199 . 12 1 1 A 25 25 SER CA C 25 60.554 61.951 -1.397 1
1 200 . 12 1 1 A 25 25 SER CB C 25 64.329 63.150 1.179 1
1 201 . 12 1 1 A 25 25 SER N N 25 115.148 117.381 -2.233 1
1 202 . 12 1 1 A 26 26 ARG H H 26 7.040 7.906 -0.866 1
1 203 . 12 1 1 A 26 26 ARG HA H 26 4.719 4.595 0.124 1
1 210 . 12 1 1 A 26 26 ARG C C 26 176.116 176.201 -0.085 1
1 211 . 12 1 1 A 26 26 ARG CA C 26 54.417 54.201 0.216 1
1 212 . 12 1 1 A 26 26 ARG CB C 26 34.587 32.616 1.971 1
1 215 . 12 1 1 A 26 26 ARG N N 26 115.877 119.612 -3.735 1
1 216 . 12 1 1 A 27 27 SER H H 27 8.441 8.546 -0.105 1
1 217 . 12 1 1 A 27 27 SER HA H 27 3.278 3.643 -0.365 1
1 220 . 12 1 1 A 27 27 SER CA C 27 61.160 60.711 0.449 1
1 221 . 12 1 1 A 27 27 SER CB C 27 61.910 62.437 -0.527 1
1 222 . 12 1 1 A 27 27 SER N N 27 120.683 118.366 2.317 1
1 223 . 12 1 1 A 28 28 SER HA H 28 3.969 4.044 -0.075 1
1 226 . 12 1 1 A 28 28 SER C C 28 176.640 176.233 0.407 1
1 227 . 12 1 1 A 28 28 SER CA C 28 61.029 62.146 -1.117 1
1 228 . 12 1 1 A 28 28 SER CB C 28 61.506 62.644 -1.138 1
1 229 . 12 1 1 A 29 29 ILE H H 29 6.628 7.767 -1.139 1
1 230 . 12 1 1 A 29 29 ILE HA H 29 3.725 3.518 0.207 1
1 240 . 12 1 1 A 29 29 ILE C C 29 178.108 177.566 0.542 1
1 241 . 12 1 1 A 29 29 ILE CA C 29 63.470 64.754 -1.284 1
1 242 . 12 1 1 A 29 29 ILE CB C 29 38.013 37.382 0.631 1
1 246 . 12 1 1 A 29 29 ILE N N 29 122.549 121.421 1.128 1
1 247 . 12 1 1 A 30 30 LEU H H 30 7.003 8.340 -1.337 1
1 248 . 12 1 1 A 30 30 LEU HA H 30 3.511 3.631 -0.120 1
1 258 . 12 1 1 A 30 30 LEU C C 30 177.880 178.710 -0.830 1
1 259 . 12 1 1 A 30 30 LEU CA C 30 58.394 58.051 0.343 1
1 260 . 12 1 1 A 30 30 LEU CB C 30 40.239 42.057 -1.818 1
1 264 . 12 1 1 A 30 30 LEU N N 30 122.518 121.927 0.591 1
1 265 . 12 1 1 A 31 31 VAL H H 31 8.203 8.008 0.195 1
1 266 . 12 1 1 A 31 31 VAL HA H 31 3.709 3.483 0.226 1
1 274 . 12 1 1 A 31 31 VAL C C 31 179.070 177.357 1.713 1
1 275 . 12 1 1 A 31 31 VAL CA C 31 66.618 66.871 -0.253 1
1 276 . 12 1 1 A 31 31 VAL CB C 31 31.624 31.337 0.287 1
1 279 . 12 1 1 A 31 31 VAL N N 31 118.600 119.619 -1.019 1
1 280 . 12 1 1 A 32 32 GLN H H 32 7.323 7.777 -0.454 1
1 281 . 12 1 1 A 32 32 GLN HA H 32 3.927 4.039 -0.112 1
1 288 . 12 1 1 A 32 32 GLN C C 32 178.751 177.743 1.008 1
1 289 . 12 1 1 A 32 32 GLN CA C 32 58.772 58.742 0.030 1
1 290 . 12 1 1 A 32 32 GLN CB C 32 28.368 28.284 0.084 1
1 292 . 12 1 1 A 32 32 GLN N N 32 118.113 118.560 -0.447 1
1 294 . 12 1 1 A 33 33 HIS H H 33 8.046 7.858 0.188 1
1 295 . 12 1 1 A 33 33 HIS HA H 33 4.148 4.241 -0.093 1
1 300 . 12 1 1 A 33 33 HIS C C 33 176.164 177.076 -0.912 1
1 301 . 12 1 1 A 33 33 HIS CA C 33 59.033 58.143 0.890 1
1 302 . 12 1 1 A 33 33 HIS CB C 33 27.726 30.413 -2.687 1
1 305 . 12 1 1 A 33 33 HIS N N 33 120.097 120.860 -0.763 1
1 306 . 12 1 1 A 34 34 GLN H H 34 8.348 7.701 0.647 1
1 307 . 12 1 1 A 34 34 GLN HA H 34 3.630 4.173 -0.543 1
1 314 . 12 1 1 A 34 34 GLN C C 34 177.457 178.568 -1.111 1
1 315 . 12 1 1 A 34 34 GLN CA C 34 59.367 57.667 1.700 1
1 316 . 12 1 1 A 34 34 GLN CB C 34 28.158 28.802 -0.644 1
1 318 . 12 1 1 A 34 34 GLN N N 34 115.621 117.900 -2.279 1
1 320 . 12 1 1 A 35 35 ARG H H 35 7.167 7.639 -0.472 1
1 321 . 12 1 1 A 35 35 ARG HA H 35 4.094 4.070 0.024 1
1 328 . 12 1 1 A 35 35 ARG C C 35 178.544 178.882 -0.338 1
1 329 . 12 1 1 A 35 35 ARG CA C 35 58.553 59.557 -1.004 1
1 330 . 12 1 1 A 35 35 ARG CB C 35 30.016 30.674 -0.658 1
1 333 . 12 1 1 A 35 35 ARG N N 35 117.694 121.078 -3.384 1
1 334 . 12 1 1 A 36 36 VAL H H 36 7.878 7.537 0.341 1
1 335 . 12 1 1 A 36 36 VAL HA H 36 3.885 3.816 0.069 1
1 343 . 12 1 1 A 36 36 VAL C C 36 177.246 177.939 -0.693 1
1 344 . 12 1 1 A 36 36 VAL CA C 36 63.924 65.641 -1.717 1
1 345 . 12 1 1 A 36 36 VAL CB C 36 31.137 31.378 -0.241 1
1 348 . 12 1 1 A 36 36 VAL N N 36 116.056 117.550 -1.494 1
1 349 . 12 1 1 A 37 37 HIS H H 37 7.151 7.989 -0.838 1
1 350 . 12 1 1 A 37 37 HIS HA H 37 4.877 4.426 0.451 1
1 355 . 12 1 1 A 37 37 HIS C C 37 175.769 176.154 -0.385 1
1 356 . 12 1 1 A 37 37 HIS CA C 37 55.034 58.634 -3.600 1
1 357 . 12 1 1 A 37 37 HIS CB C 37 28.415 29.614 -1.199 1
1 360 . 12 1 1 A 37 37 HIS N N 37 117.486 119.749 -2.263 1
1 361 . 12 1 1 A 38 38 THR H H 38 7.769 8.151 -0.382 1
1 362 . 12 1 1 A 38 38 THR HA H 38 4.288 3.908 0.380 1
1 367 . 12 1 1 A 38 38 THR C C 38 175.391 175.269 0.122 1
1 368 . 12 1 1 A 38 38 THR CA C 38 62.697 63.671 -0.974 1
1 369 . 12 1 1 A 38 38 THR CB C 38 69.738 68.773 0.965 1
1 371 . 12 1 1 A 38 38 THR N N 38 112.779 114.062 -1.283 1
1 372 . 12 1 1 A 39 39 GLY H H 39 8.251 8.689 -0.438 1
1 373 . 12 1 1 A 39 39 GLY HA2 H 39 3.994 3.903 0.091 1
1 374 . 12 1 1 A 39 39 GLY HA3 H 39 3.920 3.909 0.011 1
1 375 . 12 1 1 A 39 39 GLY C C 39 174.076 174.628 -0.552 1
1 376 . 12 1 1 A 39 39 GLY CA C 39 45.288 45.471 -0.183 1
1 377 . 12 1 1 A 39 39 GLY N N 39 110.331 115.912 -5.581 1
1 378 . 12 1 1 A 40 40 GLU H H 40 8.076 8.146 -0.070 1
1 379 . 12 1 1 A 40 40 GLU HA H 40 4.139 4.235 -0.096 1
1 384 . 12 1 1 A 40 40 GLU C C 40 176.602 176.984 -0.382 1
1 385 . 12 1 1 A 40 40 GLU CA C 40 56.915 58.309 -1.394 1
1 386 . 12 1 1 A 40 40 GLU CB C 40 30.414 30.409 0.005 1
1 388 . 12 1 1 A 40 40 GLU N N 40 120.155 121.277 -1.122 1
1 389 . 12 1 1 A 41 41 LYS H H 41 8.274 7.687 0.587 1
1 390 . 12 1 1 A 41 41 LYS HA H 41 4.496 4.841 -0.345 1
1 399 . 12 1 1 A 41 41 LYS C C 41 173.906 174.817 -0.911 1
1 400 . 12 1 1 A 41 41 LYS CA C 41 53.865 53.970 -0.105 1
1 401 . 12 1 1 A 41 41 LYS CB C 41 33.372 33.025 0.347 1
1 405 . 12 1 1 A 41 41 LYS N N 41 121.689 118.056 3.633 1
1 406 . 12 1 1 A 42 42 PRO HA H 42 4.253 4.359 -0.106 1
1 413 . 12 1 1 A 42 42 PRO C C 42 176.660 175.951 0.709 1
1 414 . 12 1 1 A 42 42 PRO CA C 42 63.718 64.986 -1.268 1
1 415 . 12 1 1 A 42 42 PRO CB C 42 32.320 31.778 0.542 1
1 418 . 12 1 1 A 43 43 TYR H H 43 7.693 7.637 0.056 1
1 419 . 12 1 1 A 43 43 TYR HA H 43 4.600 4.648 -0.048 1
1 426 . 12 1 1 A 43 43 TYR C C 43 174.460 175.135 -0.675 1
1 427 . 12 1 1 A 43 43 TYR CA C 43 57.722 58.337 -0.615 1
1 428 . 12 1 1 A 43 43 TYR CB C 43 37.840 38.332 -0.492 1
1 433 . 12 1 1 A 43 43 TYR N N 43 118.327 118.159 0.168 1
1 434 . 12 1 1 A 44 44 LYS H H 44 8.335 8.857 -0.522 1
1 435 . 12 1 1 A 44 44 LYS HA H 44 4.826 5.559 -0.733 1
1 444 . 12 1 1 A 44 44 LYS C C 44 174.679 175.369 -0.690 1
1 445 . 12 1 1 A 44 44 LYS CA C 44 55.423 54.702 0.721 1
1 446 . 12 1 1 A 44 44 LYS CB C 44 35.380 34.725 0.655 1
1 450 . 12 1 1 A 44 44 LYS N N 44 125.187 126.265 -1.078 1
1 451 . 12 1 1 A 45 45 CYS H H 45 9.250 9.281 -0.031 1
1 452 . 12 1 1 A 45 45 CYS HA H 45 4.536 4.758 -0.222 1
1 455 . 12 1 1 A 45 45 CYS C C 45 177.400 176.108 1.292 1
1 456 . 12 1 1 A 45 45 CYS CA C 45 59.384 57.676 1.708 1
1 457 . 12 1 1 A 45 45 CYS CB C 45 29.482 28.896 0.586 1
1 458 . 12 1 1 A 45 45 CYS N N 45 126.431 124.504 1.927 1
1 459 . 12 1 1 A 46 46 LEU H H 46 9.297 8.828 0.469 1
1 460 . 12 1 1 A 46 46 LEU HA H 46 4.192 4.275 -0.083 1
1 470 . 12 1 1 A 46 46 LEU C C 46 177.806 178.088 -0.282 1
1 471 . 12 1 1 A 46 46 LEU CA C 46 56.944 56.288 0.656 1
1 472 . 12 1 1 A 46 46 LEU CB C 46 41.269 41.722 -0.453 1
1 476 . 12 1 1 A 46 46 LEU N N 46 132.501 127.981 4.520 1
1 477 . 12 1 1 A 47 47 GLU H H 47 8.568 8.421 0.147 1
1 478 . 12 1 1 A 47 47 GLU HA H 47 4.161 4.042 0.119 1
1 483 . 12 1 1 A 47 47 GLU C C 47 177.358 178.033 -0.675 1
1 484 . 12 1 1 A 47 47 GLU CA C 47 58.545 59.379 -0.834 1
1 485 . 12 1 1 A 47 47 GLU CB C 47 29.500 29.526 -0.026 1
1 487 . 12 1 1 A 47 47 GLU N N 47 120.165 118.990 1.175 1
1 488 . 12 1 1 A 48 48 CYS H H 48 7.979 7.337 0.642 1
1 489 . 12 1 1 A 48 48 CYS HA H 48 5.182 4.613 0.569 1
1 492 . 12 1 1 A 48 48 CYS C C 48 176.224 175.419 0.805 1
1 493 . 12 1 1 A 48 48 CYS CA C 48 58.210 59.319 -1.109 1
1 494 . 12 1 1 A 48 48 CYS CB C 48 32.531 29.899 2.632 1
1 495 . 12 1 1 A 48 48 CYS N N 48 114.531 114.287 0.244 1
1 496 . 12 1 1 A 49 49 GLY H H 49 8.156 8.129 0.027 1
1 497 . 12 1 1 A 49 49 GLY HA2 H 49 4.273 4.053 0.220 1
1 498 . 12 1 1 A 49 49 GLY HA3 H 49 3.771 4.078 -0.307 1
1 499 . 12 1 1 A 49 49 GLY C C 49 173.907 174.001 -0.094 1
1 500 . 12 1 1 A 49 49 GLY CA C 49 46.207 45.762 0.445 1
1 501 . 12 1 1 A 49 49 GLY N N 49 113.613 109.094 4.519 1
1 502 . 12 1 1 A 50 50 LYS H H 50 7.961 8.137 -0.176 1
1 503 . 12 1 1 A 50 50 LYS HA H 50 3.936 4.811 -0.875 1
1 512 . 12 1 1 A 50 50 LYS C C 50 173.571 174.668 -1.097 1
1 513 . 12 1 1 A 50 50 LYS CA C 50 58.199 54.242 3.957 1
1 514 . 12 1 1 A 50 50 LYS CB C 50 33.479 36.802 -3.323 1
1 518 . 12 1 1 A 50 50 LYS N N 50 123.259 119.976 3.283 1
1 519 . 12 1 1 A 51 51 ALA H H 51 7.740 8.497 -0.757 1
1 520 . 12 1 1 A 51 51 ALA HA H 51 5.179 5.574 -0.395 1
1 524 . 12 1 1 A 51 51 ALA C C 51 175.844 175.052 0.792 1
1 525 . 12 1 1 A 51 51 ALA CA C 51 50.329 49.915 0.414 1
1 526 . 12 1 1 A 51 51 ALA CB C 51 22.741 22.516 0.225 1
1 527 . 12 1 1 A 51 51 ALA N N 51 123.792 121.971 1.821 1
1 528 . 12 1 1 A 52 52 PHE H H 52 8.698 8.786 -0.088 1
1 529 . 12 1 1 A 52 52 PHE HA H 52 4.653 4.954 -0.301 1
1 537 . 12 1 1 A 52 52 PHE C C 52 175.640 175.877 -0.237 1
1 538 . 12 1 1 A 52 52 PHE CA C 52 57.636 56.738 0.898 1
1 539 . 12 1 1 A 52 52 PHE CB C 52 43.314 42.565 0.749 1
1 545 . 12 1 1 A 52 52 PHE N N 52 116.792 117.697 -0.905 1
1 546 . 12 1 1 A 53 53 SER H H 53 9.246 8.814 0.432 1
1 547 . 12 1 1 A 53 53 SER HA H 53 4.627 4.670 -0.043 1
1 550 . 12 1 1 A 53 53 SER C C 53 173.837 175.122 -1.285 1
1 551 . 12 1 1 A 53 53 SER CA C 53 60.959 62.093 -1.134 1
1 552 . 12 1 1 A 53 53 SER CB C 53 64.077 63.174 0.903 1
1 553 . 12 1 1 A 53 53 SER N N 53 116.932 117.926 -0.994 1
1 554 . 12 1 1 A 54 54 GLN H H 54 7.873 7.915 -0.042 1
1 555 . 12 1 1 A 54 54 GLN HA H 54 4.774 4.699 0.075 1
1 562 . 12 1 1 A 54 54 GLN C C 54 176.112 175.770 0.342 1
1 563 . 12 1 1 A 54 54 GLN CA C 54 53.972 54.457 -0.485 1
1 564 . 12 1 1 A 54 54 GLN CB C 54 32.160 31.427 0.733 1
1 566 . 12 1 1 A 54 54 GLN N N 54 116.030 118.602 -2.572 1
1 568 . 12 1 1 A 55 55 ASN H H 55 8.494 8.488 0.006 1
1 569 . 12 1 1 A 55 55 ASN HA H 55 3.540 3.690 -0.150 1
1 574 . 12 1 1 A 55 55 ASN C C 55 177.306 176.661 0.645 1
1 575 . 12 1 1 A 55 55 ASN CA C 55 56.094 55.389 0.705 1
1 576 . 12 1 1 A 55 55 ASN CB C 55 38.260 38.089 0.171 1
1 577 . 12 1 1 A 55 55 ASN N N 55 124.248 121.641 2.607 1
1 579 . 12 1 1 A 56 56 SER HA H 56 3.867 4.107 -0.240 1
1 582 . 12 1 1 A 56 56 SER C C 56 176.822 176.766 0.056 1
1 583 . 12 1 1 A 56 56 SER CA C 56 60.888 61.054 -0.166 1
1 584 . 12 1 1 A 56 56 SER CB C 56 61.588 62.953 -1.365 1
1 585 . 12 1 1 A 57 57 GLY H H 57 7.104 8.220 -1.116 1
1 586 . 12 1 1 A 57 57 GLY HA2 H 57 3.893 3.641 0.252 1
1 587 . 12 1 1 A 57 57 GLY HA3 H 57 3.718 3.667 0.051 1
1 588 . 12 1 1 A 57 57 GLY C C 57 175.641 175.259 0.382 1
1 589 . 12 1 1 A 57 57 GLY CA C 57 46.508 46.829 -0.321 1
1 590 . 12 1 1 A 57 57 GLY N N 57 109.816 107.396 2.420 1
1 591 . 12 1 1 A 58 58 LEU H H 58 6.781 7.465 -0.684 1
1 592 . 12 1 1 A 58 58 LEU HA H 58 3.288 2.558 0.730 1
1 602 . 12 1 1 A 58 58 LEU C C 58 177.650 178.151 -0.501 1
1 603 . 12 1 1 A 58 58 LEU CA C 58 57.726 56.632 1.094 1
1 604 . 12 1 1 A 58 58 LEU CB C 58 40.656 41.136 -0.480 1
1 608 . 12 1 1 A 58 58 LEU N N 58 124.058 121.817 2.241 1
1 609 . 12 1 1 A 59 59 ILE H H 59 8.281 8.133 0.148 1
1 610 . 12 1 1 A 59 59 ILE HA H 59 3.686 3.355 0.331 1
1 620 . 12 1 1 A 59 59 ILE C C 59 179.220 178.267 0.953 1
1 621 . 12 1 1 A 59 59 ILE CA C 59 64.389 65.596 -1.207 1
1 622 . 12 1 1 A 59 59 ILE CB C 59 37.545 37.978 -0.433 1
1 626 . 12 1 1 A 59 59 ILE N N 59 119.575 119.946 -0.371 1
1 627 . 12 1 1 A 60 60 ASN H H 60 7.677 8.049 -0.372 1
1 628 . 12 1 1 A 60 60 ASN HA H 60 4.326 4.390 -0.064 1
1 633 . 12 1 1 A 60 60 ASN C C 60 177.688 176.622 1.066 1
1 634 . 12 1 1 A 60 60 ASN CA C 60 56.183 55.804 0.379 1
1 635 . 12 1 1 A 60 60 ASN CB C 60 38.549 38.288 0.261 1
1 636 . 12 1 1 A 60 60 ASN N N 60 116.791 117.485 -0.694 1
1 638 . 12 1 1 A 61 61 HIS H H 61 7.526 7.425 0.101 1
1 639 . 12 1 1 A 61 61 HIS HA H 61 4.172 4.280 -0.108 1
1 643 . 12 1 1 A 61 61 HIS C C 61 176.063 176.302 -0.239 1
1 644 . 12 1 1 A 61 61 HIS CA C 61 58.924 57.659 1.265 1
1 645 . 12 1 1 A 61 61 HIS CB C 61 29.110 30.388 -1.278 1
1 647 . 12 1 1 A 61 61 HIS N N 61 119.310 119.705 -0.395 1
1 648 . 12 1 1 A 62 62 GLN H H 62 8.345 8.045 0.300 1
1 649 . 12 1 1 A 62 62 GLN HA H 62 3.631 4.266 -0.635 1
1 656 . 12 1 1 A 62 62 GLN C C 62 177.302 178.214 -0.912 1
1 657 . 12 1 1 A 62 62 GLN CA C 62 59.260 56.524 2.736 1
1 658 . 12 1 1 A 62 62 GLN CB C 62 28.161 29.380 -1.219 1
1 660 . 12 1 1 A 62 62 GLN N N 62 115.573 117.544 -1.971 1
1 662 . 12 1 1 A 63 63 ARG H H 63 7.029 7.954 -0.925 1
1 663 . 12 1 1 A 63 63 ARG HA H 63 4.091 3.999 0.092 1
1 670 . 12 1 1 A 63 63 ARG C C 63 178.257 177.748 0.509 1
1 671 . 12 1 1 A 63 63 ARG CA C 63 58.505 58.527 -0.022 1
1 672 . 12 1 1 A 63 63 ARG CB C 63 30.046 29.788 0.258 1
1 675 . 12 1 1 A 63 63 ARG N N 63 117.521 118.838 -1.317 1
1 676 . 12 1 1 A 64 64 ILE H H 64 7.763 7.282 0.481 1
1 677 . 12 1 1 A 64 64 ILE HA H 64 3.988 3.773 0.215 1
1 687 . 12 1 1 A 64 64 ILE C C 64 177.138 176.710 0.428 1
1 688 . 12 1 1 A 64 64 ILE CA C 64 62.780 64.242 -1.462 1
1 689 . 12 1 1 A 64 64 ILE CB C 64 37.760 36.997 0.763 1
1 693 . 12 1 1 A 64 64 ILE N N 64 115.601 116.113 -0.512 1
1 694 . 12 1 1 A 65 65 HIS H H 65 7.261 7.234 0.027 1
1 695 . 12 1 1 A 65 65 HIS HA H 65 4.867 4.650 0.217 1
1 700 . 12 1 1 A 65 65 HIS C C 65 175.314 175.778 -0.464 1
1 701 . 12 1 1 A 65 65 HIS CA C 65 54.927 56.040 -1.113 1
1 702 . 12 1 1 A 65 65 HIS CB C 65 28.723 29.020 -0.297 1
1 705 . 12 1 1 A 65 65 HIS N N 65 118.018 119.639 -1.621 1
1 706 . 12 1 1 A 66 66 THR H H 66 7.717 7.557 0.160 1
1 707 . 12 1 1 A 66 66 THR HA H 66 4.433 4.563 -0.130 1
1 712 . 12 1 1 A 66 66 THR C C 66 174.569 173.424 1.145 1
1 713 . 12 1 1 A 66 66 THR CA C 66 61.984 60.705 1.279 1
1 714 . 12 1 1 A 66 66 THR CB C 66 69.832 68.420 1.412 1
1 716 . 12 1 1 A 66 66 THR N N 66 112.598 109.956 2.642 1
1 717 . 12 1 1 A 67 67 SER H H 67 8.272 8.025 0.247 1
1 718 . 12 1 1 A 67 67 SER HA H 67 4.540 5.171 -0.631 1
1 721 . 12 1 1 A 67 67 SER C C 67 174.531 173.645 0.886 1
1 722 . 12 1 1 A 67 67 SER CA C 67 58.517 56.411 2.106 1
1 723 . 12 1 1 A 67 67 SER CB C 67 64.041 66.130 -2.089 1
1 724 . 12 1 1 A 67 67 SER N N 67 117.832 117.789 0.043 1
1 725 . 12 1 1 A 68 68 GLY H H 68 8.223 8.434 -0.211 1
1 726 . 12 1 1 A 68 68 GLY HA2 H 68 4.153 4.146 0.007 1
1 727 . 12 1 1 A 68 68 GLY HA3 H 68 4.101 4.148 -0.047 1
1 728 . 12 1 1 A 68 68 GLY C C 68 171.817 173.937 -2.120 1
1 729 . 12 1 1 A 68 68 GLY CA C 68 44.704 44.546 0.158 1
1 730 . 12 1 1 A 68 68 GLY N N 68 110.671 112.897 -2.226 1
1 731 . 12 1 1 A 69 69 PRO HA H 69 4.469 4.333 0.136 1
1 738 . 12 1 1 A 69 69 PRO CA C 69 63.244 64.973 -1.729 1
1 739 . 12 1 1 A 69 69 PRO CB C 69 32.208 31.773 0.435 1
1 1 . 13 1 1 A 7 7 GLY HA2 H 7 3.957 4.053 -0.096 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.957 4.103 -0.146 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.124 172.801 1.323 1
1 4 . 13 1 1 A 7 7 GLY CA C 7 45.359 45.381 -0.022 1
1 5 . 13 1 1 A 8 8 ILE H H 8 7.939 8.888 -0.949 1
1 6 . 13 1 1 A 8 8 ILE HA H 8 4.106 4.357 -0.251 1
1 16 . 13 1 1 A 8 8 ILE C C 8 176.213 174.740 1.473 1
1 17 . 13 1 1 A 8 8 ILE CA C 8 61.378 60.251 1.127 1
1 18 . 13 1 1 A 8 8 ILE CB C 8 38.603 36.526 2.077 1
1 22 . 13 1 1 A 8 8 ILE N N 8 119.652 124.794 -5.142 1
1 23 . 13 1 1 A 9 9 HIS H H 9 8.409 7.571 0.838 1
1 24 . 13 1 1 A 9 9 HIS C C 9 175.436 174.631 0.805 1
1 25 . 13 1 1 A 9 9 HIS CA C 9 56.065 55.234 0.831 1
1 26 . 13 1 1 A 9 9 HIS CB C 9 30.677 30.247 0.430 1
1 27 . 13 1 1 A 9 9 HIS N N 9 123.607 125.435 -1.828 1
1 28 . 13 1 1 A 10 10 SER HA H 10 4.484 5.409 -0.925 1
1 31 . 13 1 1 A 10 10 SER C C 10 174.981 173.966 1.015 1
1 32 . 13 1 1 A 10 10 SER CA C 10 58.621 56.789 1.832 1
1 33 . 13 1 1 A 10 10 SER CB C 10 63.732 64.550 -0.818 1
1 34 . 13 1 1 A 11 11 GLY H H 11 8.447 8.297 0.150 1
1 35 . 13 1 1 A 11 11 GLY HA2 H 11 3.936 4.126 -0.190 1
1 36 . 13 1 1 A 11 11 GLY HA3 H 11 3.936 4.128 -0.192 1
1 37 . 13 1 1 A 11 11 GLY C C 11 174.112 171.169 2.943 1
1 38 . 13 1 1 A 11 11 GLY CA C 11 45.292 45.604 -0.312 1
1 39 . 13 1 1 A 11 11 GLY N N 11 110.887 109.282 1.605 1
1 40 . 13 1 1 A 12 12 GLU H H 12 8.200 8.475 -0.275 1
1 41 . 13 1 1 A 12 12 GLU HA H 12 4.174 5.113 -0.939 1
1 46 . 13 1 1 A 12 12 GLU C C 12 176.545 175.035 1.510 1
1 47 . 13 1 1 A 12 12 GLU CA C 12 56.962 54.737 2.225 1
1 48 . 13 1 1 A 12 12 GLU CB C 12 30.388 33.313 -2.925 1
1 50 . 13 1 1 A 12 12 GLU N N 12 120.059 120.624 -0.565 1
1 51 . 13 1 1 A 13 13 LYS H H 13 8.280 8.532 -0.252 1
1 52 . 13 1 1 A 13 13 LYS HA H 13 4.434 5.026 -0.592 1
1 61 . 13 1 1 A 13 13 LYS C C 13 173.760 175.352 -1.592 1
1 62 . 13 1 1 A 13 13 LYS CA C 13 53.742 53.250 0.492 1
1 63 . 13 1 1 A 13 13 LYS CB C 13 33.067 33.273 -0.206 1
1 67 . 13 1 1 A 13 13 LYS N N 13 121.235 125.301 -4.066 1
1 68 . 13 1 1 A 14 14 PRO HA H 14 4.268 4.526 -0.258 1
1 75 . 13 1 1 A 14 14 PRO C C 14 176.391 175.957 0.434 1
1 76 . 13 1 1 A 14 14 PRO CA C 14 63.473 64.234 -0.761 1
1 77 . 13 1 1 A 14 14 PRO CB C 14 32.243 31.672 0.571 1
1 80 . 13 1 1 A 15 15 TYR H H 15 7.898 7.253 0.645 1
1 81 . 13 1 1 A 15 15 TYR HA H 15 4.609 5.019 -0.410 1
1 88 . 13 1 1 A 15 15 TYR C C 15 175.259 175.866 -0.607 1
1 89 . 13 1 1 A 15 15 TYR CA C 15 57.252 56.128 1.124 1
1 90 . 13 1 1 A 15 15 TYR CB C 15 37.800 41.269 -3.469 1
1 95 . 13 1 1 A 15 15 TYR N N 15 118.120 119.151 -1.031 1
1 96 . 13 1 1 A 16 16 GLY H H 16 8.420 8.636 -0.216 1
1 97 . 13 1 1 A 16 16 GLY HA2 H 16 4.634 4.389 0.245 1
1 98 . 13 1 1 A 16 16 GLY HA3 H 16 3.568 4.395 -0.827 1
1 99 . 13 1 1 A 16 16 GLY C C 16 172.667 172.209 0.458 1
1 100 . 13 1 1 A 16 16 GLY CA C 16 44.599 45.227 -0.628 1
1 101 . 13 1 1 A 16 16 GLY N N 16 111.924 108.974 2.950 1
1 102 . 13 1 1 A 17 17 CYS H H 17 9.142 8.469 0.673 1
1 103 . 13 1 1 A 17 17 CYS HA H 17 4.712 5.054 -0.342 1
1 106 . 13 1 1 A 17 17 CYS C C 17 177.696 174.785 2.911 1
1 107 . 13 1 1 A 17 17 CYS CA C 17 58.694 57.965 0.729 1
1 108 . 13 1 1 A 17 17 CYS CB C 17 29.770 29.793 -0.023 1
1 109 . 13 1 1 A 17 17 CYS N N 17 125.008 118.067 6.941 1
1 110 . 13 1 1 A 18 18 VAL H H 18 9.089 8.154 0.935 1
1 111 . 13 1 1 A 18 18 VAL HA H 18 4.003 4.151 -0.148 1
1 119 . 13 1 1 A 18 18 VAL C C 18 176.506 177.702 -1.196 1
1 120 . 13 1 1 A 18 18 VAL CA C 18 64.407 63.792 0.615 1
1 121 . 13 1 1 A 18 18 VAL CB C 18 31.744 33.542 -1.798 1
1 124 . 13 1 1 A 18 18 VAL N N 18 129.598 124.439 5.159 1
1 125 . 13 1 1 A 19 19 GLU H H 19 8.413 7.963 0.450 1
1 126 . 13 1 1 A 19 19 GLU HA H 19 4.187 3.862 0.325 1
1 131 . 13 1 1 A 19 19 GLU C C 19 177.385 177.928 -0.543 1
1 132 . 13 1 1 A 19 19 GLU CA C 19 58.535 59.479 -0.944 1
1 133 . 13 1 1 A 19 19 GLU CB C 19 29.358 29.007 0.351 1
1 135 . 13 1 1 A 19 19 GLU N N 19 121.264 122.012 -0.748 1
1 136 . 13 1 1 A 20 20 CYS H H 20 7.854 7.365 0.489 1
1 137 . 13 1 1 A 20 20 CYS HA H 20 5.142 4.720 0.422 1
1 140 . 13 1 1 A 20 20 CYS C C 20 176.237 175.817 0.420 1
1 141 . 13 1 1 A 20 20 CYS CA C 20 58.341 59.447 -1.106 1
1 142 . 13 1 1 A 20 20 CYS CB C 20 32.531 30.139 2.392 1
1 143 . 13 1 1 A 20 20 CYS N N 20 113.736 114.717 -0.981 1
1 144 . 13 1 1 A 21 21 GLY H H 21 8.281 8.172 0.109 1
1 145 . 13 1 1 A 21 21 GLY HA2 H 21 4.216 4.041 0.175 1
1 146 . 13 1 1 A 21 21 GLY HA3 H 21 3.784 4.046 -0.262 1
1 147 . 13 1 1 A 21 21 GLY C C 21 174.288 174.401 -0.113 1
1 148 . 13 1 1 A 21 21 GLY CA C 21 46.159 45.132 1.027 1
1 149 . 13 1 1 A 21 21 GLY N N 21 113.574 110.122 3.452 1
1 150 . 13 1 1 A 22 22 LYS H H 22 7.891 7.280 0.611 1
1 151 . 13 1 1 A 22 22 LYS HA H 22 3.989 4.060 -0.071 1
1 160 . 13 1 1 A 22 22 LYS C C 22 173.452 175.112 -1.660 1
1 161 . 13 1 1 A 22 22 LYS CA C 22 57.789 56.103 1.686 1
1 162 . 13 1 1 A 22 22 LYS CB C 22 34.125 32.526 1.599 1
1 166 . 13 1 1 A 22 22 LYS N N 22 122.877 119.946 2.931 1
1 167 . 13 1 1 A 23 23 ALA H H 23 7.645 8.282 -0.637 1
1 168 . 13 1 1 A 23 23 ALA HA H 23 4.925 5.195 -0.270 1
1 172 . 13 1 1 A 23 23 ALA C C 23 175.868 176.156 -0.288 1
1 173 . 13 1 1 A 23 23 ALA CA C 23 50.523 50.297 0.226 1
1 174 . 13 1 1 A 23 23 ALA CB C 23 22.145 21.039 1.106 1
1 175 . 13 1 1 A 23 23 ALA N N 23 122.280 127.392 -5.112 1
1 176 . 13 1 1 A 24 24 PHE H H 24 8.337 8.875 -0.538 1
1 177 . 13 1 1 A 24 24 PHE HA H 24 4.890 4.927 -0.037 1
1 185 . 13 1 1 A 24 24 PHE C C 24 175.994 175.237 0.757 1
1 186 . 13 1 1 A 24 24 PHE CA C 24 56.926 56.648 0.278 1
1 187 . 13 1 1 A 24 24 PHE CB C 24 43.626 43.714 -0.088 1
1 193 . 13 1 1 A 24 24 PHE N N 24 116.352 118.658 -2.306 1
1 194 . 13 1 1 A 25 25 SER H H 25 9.344 8.808 0.536 1
1 195 . 13 1 1 A 25 25 SER HA H 25 4.612 4.651 -0.039 1
1 198 . 13 1 1 A 25 25 SER C C 25 174.148 173.856 0.292 1
1 199 . 13 1 1 A 25 25 SER CA C 25 60.554 58.500 2.054 1
1 200 . 13 1 1 A 25 25 SER CB C 25 64.329 64.147 0.182 1
1 201 . 13 1 1 A 25 25 SER N N 25 115.148 114.445 0.703 1
1 202 . 13 1 1 A 26 26 ARG H H 26 7.040 7.540 -0.500 1
1 203 . 13 1 1 A 26 26 ARG HA H 26 4.719 4.614 0.105 1
1 210 . 13 1 1 A 26 26 ARG C C 26 176.116 176.067 0.049 1
1 211 . 13 1 1 A 26 26 ARG CA C 26 54.417 54.004 0.413 1
1 212 . 13 1 1 A 26 26 ARG CB C 26 34.587 32.540 2.047 1
1 215 . 13 1 1 A 26 26 ARG N N 26 115.877 121.633 -5.756 1
1 216 . 13 1 1 A 27 27 SER H H 27 8.441 8.855 -0.414 1
1 217 . 13 1 1 A 27 27 SER HA H 27 3.278 3.812 -0.534 1
1 220 . 13 1 1 A 27 27 SER CA C 27 61.160 61.743 -0.583 1
1 221 . 13 1 1 A 27 27 SER CB C 27 61.910 62.423 -0.513 1
1 222 . 13 1 1 A 27 27 SER N N 27 120.683 120.049 0.634 1
1 223 . 13 1 1 A 28 28 SER HA H 28 3.969 4.066 -0.097 1
1 226 . 13 1 1 A 28 28 SER C C 28 176.640 175.857 0.783 1
1 227 . 13 1 1 A 28 28 SER CA C 28 61.029 62.407 -1.378 1
1 228 . 13 1 1 A 28 28 SER CB C 28 61.506 62.997 -1.491 1
1 229 . 13 1 1 A 29 29 ILE H H 29 6.628 7.732 -1.104 1
1 230 . 13 1 1 A 29 29 ILE HA H 29 3.725 3.415 0.310 1
1 240 . 13 1 1 A 29 29 ILE C C 29 178.108 177.483 0.625 1
1 241 . 13 1 1 A 29 29 ILE CA C 29 63.470 63.826 -0.356 1
1 242 . 13 1 1 A 29 29 ILE CB C 29 38.013 37.645 0.368 1
1 246 . 13 1 1 A 29 29 ILE N N 29 122.549 121.037 1.512 1
1 247 . 13 1 1 A 30 30 LEU H H 30 7.003 8.033 -1.030 1
1 248 . 13 1 1 A 30 30 LEU HA H 30 3.511 3.713 -0.202 1
1 258 . 13 1 1 A 30 30 LEU C C 30 177.880 178.619 -0.739 1
1 259 . 13 1 1 A 30 30 LEU CA C 30 58.394 58.292 0.102 1
1 260 . 13 1 1 A 30 30 LEU CB C 30 40.239 42.282 -2.043 1
1 264 . 13 1 1 A 30 30 LEU N N 30 122.518 121.203 1.315 1
1 265 . 13 1 1 A 31 31 VAL H H 31 8.203 8.194 0.009 1
1 266 . 13 1 1 A 31 31 VAL HA H 31 3.709 3.513 0.196 1
1 274 . 13 1 1 A 31 31 VAL C C 31 179.070 177.292 1.778 1
1 275 . 13 1 1 A 31 31 VAL CA C 31 66.618 67.118 -0.500 1
1 276 . 13 1 1 A 31 31 VAL CB C 31 31.624 31.377 0.247 1
1 279 . 13 1 1 A 31 31 VAL N N 31 118.600 119.481 -0.881 1
1 280 . 13 1 1 A 32 32 GLN H H 32 7.323 8.125 -0.802 1
1 281 . 13 1 1 A 32 32 GLN HA H 32 3.927 4.063 -0.136 1
1 288 . 13 1 1 A 32 32 GLN C C 32 178.751 178.101 0.650 1
1 289 . 13 1 1 A 32 32 GLN CA C 32 58.772 58.673 0.099 1
1 290 . 13 1 1 A 32 32 GLN CB C 32 28.368 28.508 -0.140 1
1 292 . 13 1 1 A 32 32 GLN N N 32 118.113 118.425 -0.312 1
1 294 . 13 1 1 A 33 33 HIS H H 33 8.046 8.031 0.015 1
1 295 . 13 1 1 A 33 33 HIS HA H 33 4.148 4.213 -0.065 1
1 300 . 13 1 1 A 33 33 HIS C C 33 176.164 177.014 -0.850 1
1 301 . 13 1 1 A 33 33 HIS CA C 33 59.033 58.432 0.601 1
1 302 . 13 1 1 A 33 33 HIS CB C 33 27.726 30.124 -2.398 1
1 305 . 13 1 1 A 33 33 HIS N N 33 120.097 121.074 -0.977 1
1 306 . 13 1 1 A 34 34 GLN H H 34 8.348 8.146 0.202 1
1 307 . 13 1 1 A 34 34 GLN HA H 34 3.630 4.293 -0.663 1
1 314 . 13 1 1 A 34 34 GLN C C 34 177.457 177.118 0.339 1
1 315 . 13 1 1 A 34 34 GLN CA C 34 59.367 58.078 1.289 1
1 316 . 13 1 1 A 34 34 GLN CB C 34 28.158 28.561 -0.403 1
1 318 . 13 1 1 A 34 34 GLN N N 34 115.621 118.647 -3.026 1
1 320 . 13 1 1 A 35 35 ARG H H 35 7.167 7.461 -0.294 1
1 321 . 13 1 1 A 35 35 ARG HA H 35 4.094 4.187 -0.093 1
1 328 . 13 1 1 A 35 35 ARG C C 35 178.544 179.342 -0.798 1
1 329 . 13 1 1 A 35 35 ARG CA C 35 58.553 58.232 0.321 1
1 330 . 13 1 1 A 35 35 ARG CB C 35 30.016 29.979 0.037 1
1 333 . 13 1 1 A 35 35 ARG N N 35 117.694 119.312 -1.618 1
1 334 . 13 1 1 A 36 36 VAL H H 36 7.878 7.626 0.252 1
1 335 . 13 1 1 A 36 36 VAL HA H 36 3.885 3.871 0.014 1
1 343 . 13 1 1 A 36 36 VAL C C 36 177.246 177.768 -0.522 1
1 344 . 13 1 1 A 36 36 VAL CA C 36 63.924 64.736 -0.812 1
1 345 . 13 1 1 A 36 36 VAL CB C 36 31.137 31.345 -0.208 1
1 348 . 13 1 1 A 36 36 VAL N N 36 116.056 117.404 -1.348 1
1 349 . 13 1 1 A 37 37 HIS H H 37 7.151 7.807 -0.656 1
1 350 . 13 1 1 A 37 37 HIS HA H 37 4.877 4.209 0.668 1
1 355 . 13 1 1 A 37 37 HIS C C 37 175.769 177.662 -1.893 1
1 356 . 13 1 1 A 37 37 HIS CA C 37 55.034 60.071 -5.037 1
1 357 . 13 1 1 A 37 37 HIS CB C 37 28.415 30.002 -1.587 1
1 360 . 13 1 1 A 37 37 HIS N N 37 117.486 120.702 -3.216 1
1 361 . 13 1 1 A 38 38 THR H H 38 7.769 7.884 -0.115 1
1 362 . 13 1 1 A 38 38 THR HA H 38 4.288 3.940 0.348 1
1 367 . 13 1 1 A 38 38 THR C C 38 175.391 174.913 0.478 1
1 368 . 13 1 1 A 38 38 THR CA C 38 62.697 65.595 -2.898 1
1 369 . 13 1 1 A 38 38 THR CB C 38 69.738 69.073 0.665 1
1 371 . 13 1 1 A 38 38 THR N N 38 112.779 115.249 -2.470 1
1 372 . 13 1 1 A 39 39 GLY H H 39 8.251 7.300 0.951 1
1 373 . 13 1 1 A 39 39 GLY HA2 H 39 3.994 4.068 -0.074 1
1 374 . 13 1 1 A 39 39 GLY HA3 H 39 3.920 4.073 -0.153 1
1 375 . 13 1 1 A 39 39 GLY C C 39 174.076 173.799 0.277 1
1 376 . 13 1 1 A 39 39 GLY CA C 39 45.288 45.673 -0.385 1
1 377 . 13 1 1 A 39 39 GLY N N 39 110.331 108.104 2.227 1
1 378 . 13 1 1 A 40 40 GLU H H 40 8.076 8.700 -0.624 1
1 379 . 13 1 1 A 40 40 GLU HA H 40 4.139 4.608 -0.469 1
1 384 . 13 1 1 A 40 40 GLU C C 40 176.602 175.906 0.696 1
1 385 . 13 1 1 A 40 40 GLU CA C 40 56.915 57.331 -0.416 1
1 386 . 13 1 1 A 40 40 GLU CB C 40 30.414 32.591 -2.177 1
1 388 . 13 1 1 A 40 40 GLU N N 40 120.155 122.763 -2.608 1
1 389 . 13 1 1 A 41 41 LYS H H 41 8.274 7.633 0.641 1
1 390 . 13 1 1 A 41 41 LYS HA H 41 4.496 4.814 -0.318 1
1 399 . 13 1 1 A 41 41 LYS C C 41 173.906 174.846 -0.940 1
1 400 . 13 1 1 A 41 41 LYS CA C 41 53.865 53.810 0.055 1
1 401 . 13 1 1 A 41 41 LYS CB C 41 33.372 32.997 0.375 1
1 405 . 13 1 1 A 41 41 LYS N N 41 121.689 118.086 3.603 1
1 406 . 13 1 1 A 42 42 PRO HA H 42 4.253 4.507 -0.254 1
1 413 . 13 1 1 A 42 42 PRO C C 42 176.660 175.852 0.808 1
1 414 . 13 1 1 A 42 42 PRO CA C 42 63.718 64.540 -0.822 1
1 415 . 13 1 1 A 42 42 PRO CB C 42 32.320 31.628 0.692 1
1 418 . 13 1 1 A 43 43 TYR H H 43 7.693 7.713 -0.020 1
1 419 . 13 1 1 A 43 43 TYR HA H 43 4.600 4.819 -0.219 1
1 426 . 13 1 1 A 43 43 TYR C C 43 174.460 174.983 -0.523 1
1 427 . 13 1 1 A 43 43 TYR CA C 43 57.722 57.163 0.559 1
1 428 . 13 1 1 A 43 43 TYR CB C 43 37.840 38.243 -0.403 1
1 433 . 13 1 1 A 43 43 TYR N N 43 118.327 117.984 0.343 1
1 434 . 13 1 1 A 44 44 LYS H H 44 8.335 8.962 -0.627 1
1 435 . 13 1 1 A 44 44 LYS HA H 44 4.826 5.530 -0.704 1
1 444 . 13 1 1 A 44 44 LYS C C 44 174.679 176.089 -1.410 1
1 445 . 13 1 1 A 44 44 LYS CA C 44 55.423 54.304 1.119 1
1 446 . 13 1 1 A 44 44 LYS CB C 44 35.380 35.889 -0.509 1
1 450 . 13 1 1 A 44 44 LYS N N 44 125.187 125.795 -0.608 1
1 451 . 13 1 1 A 45 45 CYS H H 45 9.250 9.540 -0.290 1
1 452 . 13 1 1 A 45 45 CYS HA H 45 4.536 4.836 -0.300 1
1 455 . 13 1 1 A 45 45 CYS C C 45 177.400 175.533 1.867 1
1 456 . 13 1 1 A 45 45 CYS CA C 45 59.384 58.853 0.531 1
1 457 . 13 1 1 A 45 45 CYS CB C 45 29.482 28.903 0.579 1
1 458 . 13 1 1 A 45 45 CYS N N 45 126.431 123.648 2.783 1
1 459 . 13 1 1 A 46 46 LEU H H 46 9.297 8.580 0.717 1
1 460 . 13 1 1 A 46 46 LEU HA H 46 4.192 4.686 -0.494 1
1 470 . 13 1 1 A 46 46 LEU C C 46 177.806 177.698 0.108 1
1 471 . 13 1 1 A 46 46 LEU CA C 46 56.944 54.605 2.339 1
1 472 . 13 1 1 A 46 46 LEU CB C 46 41.269 41.884 -0.615 1
1 476 . 13 1 1 A 46 46 LEU N N 46 132.501 127.668 4.833 1
1 477 . 13 1 1 A 47 47 GLU H H 47 8.568 7.648 0.920 1
1 478 . 13 1 1 A 47 47 GLU HA H 47 4.161 4.442 -0.281 1
1 483 . 13 1 1 A 47 47 GLU C C 47 177.358 177.915 -0.557 1
1 484 . 13 1 1 A 47 47 GLU CA C 47 58.545 57.276 1.269 1
1 485 . 13 1 1 A 47 47 GLU CB C 47 29.500 30.972 -1.472 1
1 487 . 13 1 1 A 47 47 GLU N N 47 120.165 117.929 2.236 1
1 488 . 13 1 1 A 48 48 CYS H H 48 7.979 7.978 0.001 1
1 489 . 13 1 1 A 48 48 CYS HA H 48 5.182 4.645 0.537 1
1 492 . 13 1 1 A 48 48 CYS C C 48 176.224 175.654 0.570 1
1 493 . 13 1 1 A 48 48 CYS CA C 48 58.210 59.329 -1.119 1
1 494 . 13 1 1 A 48 48 CYS CB C 48 32.531 30.153 2.378 1
1 495 . 13 1 1 A 48 48 CYS N N 48 114.531 114.788 -0.257 1
1 496 . 13 1 1 A 49 49 GLY H H 49 8.156 8.199 -0.043 1
1 497 . 13 1 1 A 49 49 GLY HA2 H 49 4.273 4.100 0.173 1
1 498 . 13 1 1 A 49 49 GLY HA3 H 49 3.771 4.126 -0.355 1
1 499 . 13 1 1 A 49 49 GLY C C 49 173.907 173.188 0.719 1
1 500 . 13 1 1 A 49 49 GLY CA C 49 46.207 45.350 0.857 1
1 501 . 13 1 1 A 49 49 GLY N N 49 113.613 109.355 4.258 1
1 502 . 13 1 1 A 50 50 LYS H H 50 7.961 8.456 -0.495 1
1 503 . 13 1 1 A 50 50 LYS HA H 50 3.936 4.811 -0.875 1
1 512 . 13 1 1 A 50 50 LYS C C 50 173.571 173.906 -0.335 1
1 513 . 13 1 1 A 50 50 LYS CA C 50 58.199 55.201 2.998 1
1 514 . 13 1 1 A 50 50 LYS CB C 50 33.479 36.530 -3.051 1
1 518 . 13 1 1 A 50 50 LYS N N 50 123.259 124.446 -1.187 1
1 519 . 13 1 1 A 51 51 ALA H H 51 7.740 8.375 -0.635 1
1 520 . 13 1 1 A 51 51 ALA HA H 51 5.179 5.544 -0.365 1
1 524 . 13 1 1 A 51 51 ALA C C 51 175.844 175.445 0.399 1
1 525 . 13 1 1 A 51 51 ALA CA C 51 50.329 49.600 0.729 1
1 526 . 13 1 1 A 51 51 ALA CB C 51 22.741 22.768 -0.027 1
1 527 . 13 1 1 A 51 51 ALA N N 51 123.792 125.820 -2.028 1
1 528 . 13 1 1 A 52 52 PHE H H 52 8.698 8.732 -0.034 1
1 529 . 13 1 1 A 52 52 PHE HA H 52 4.653 4.913 -0.260 1
1 537 . 13 1 1 A 52 52 PHE C C 52 175.640 175.874 -0.234 1
1 538 . 13 1 1 A 52 52 PHE CA C 52 57.636 56.745 0.891 1
1 539 . 13 1 1 A 52 52 PHE CB C 52 43.314 43.060 0.254 1
1 545 . 13 1 1 A 52 52 PHE N N 52 116.792 118.275 -1.483 1
1 546 . 13 1 1 A 53 53 SER H H 53 9.246 8.779 0.467 1
1 547 . 13 1 1 A 53 53 SER HA H 53 4.627 4.841 -0.214 1
1 550 . 13 1 1 A 53 53 SER C C 53 173.837 173.129 0.708 1
1 551 . 13 1 1 A 53 53 SER CA C 53 60.959 58.920 2.039 1
1 552 . 13 1 1 A 53 53 SER CB C 53 64.077 63.860 0.217 1
1 553 . 13 1 1 A 53 53 SER N N 53 116.932 117.670 -0.738 1
1 554 . 13 1 1 A 54 54 GLN H H 54 7.873 7.701 0.172 1
1 555 . 13 1 1 A 54 54 GLN HA H 54 4.774 4.548 0.226 1
1 562 . 13 1 1 A 54 54 GLN C C 54 176.112 175.534 0.578 1
1 563 . 13 1 1 A 54 54 GLN CA C 54 53.972 54.206 -0.234 1
1 564 . 13 1 1 A 54 54 GLN CB C 54 32.160 31.304 0.856 1
1 566 . 13 1 1 A 54 54 GLN N N 54 116.030 119.608 -3.578 1
1 568 . 13 1 1 A 55 55 ASN H H 55 8.494 8.510 -0.016 1
1 569 . 13 1 1 A 55 55 ASN HA H 55 3.540 3.764 -0.224 1
1 574 . 13 1 1 A 55 55 ASN C C 55 177.306 176.548 0.758 1
1 575 . 13 1 1 A 55 55 ASN CA C 55 56.094 56.775 -0.681 1
1 576 . 13 1 1 A 55 55 ASN CB C 55 38.260 38.243 0.017 1
1 577 . 13 1 1 A 55 55 ASN N N 55 124.248 124.747 -0.499 1
1 579 . 13 1 1 A 56 56 SER HA H 56 3.867 4.126 -0.259 1
1 582 . 13 1 1 A 56 56 SER C C 56 176.822 176.772 0.050 1
1 583 . 13 1 1 A 56 56 SER CA C 56 60.888 60.689 0.199 1
1 584 . 13 1 1 A 56 56 SER CB C 56 61.588 62.927 -1.339 1
1 585 . 13 1 1 A 57 57 GLY H H 57 7.104 8.478 -1.374 1
1 586 . 13 1 1 A 57 57 GLY HA2 H 57 3.893 3.694 0.199 1
1 587 . 13 1 1 A 57 57 GLY HA3 H 57 3.718 3.726 -0.008 1
1 588 . 13 1 1 A 57 57 GLY C C 57 175.641 175.329 0.312 1
1 589 . 13 1 1 A 57 57 GLY CA C 57 46.508 46.788 -0.280 1
1 590 . 13 1 1 A 57 57 GLY N N 57 109.816 106.906 2.910 1
1 591 . 13 1 1 A 58 58 LEU H H 58 6.781 7.834 -1.053 1
1 592 . 13 1 1 A 58 58 LEU HA H 58 3.288 2.686 0.602 1
1 602 . 13 1 1 A 58 58 LEU C C 58 177.650 178.049 -0.399 1
1 603 . 13 1 1 A 58 58 LEU CA C 58 57.726 56.608 1.118 1
1 604 . 13 1 1 A 58 58 LEU CB C 58 40.656 41.179 -0.523 1
1 608 . 13 1 1 A 58 58 LEU N N 58 124.058 122.124 1.934 1
1 609 . 13 1 1 A 59 59 ILE H H 59 8.281 8.030 0.251 1
1 610 . 13 1 1 A 59 59 ILE HA H 59 3.686 3.368 0.318 1
1 620 . 13 1 1 A 59 59 ILE C C 59 179.220 177.573 1.647 1
1 621 . 13 1 1 A 59 59 ILE CA C 59 64.389 65.541 -1.152 1
1 622 . 13 1 1 A 59 59 ILE CB C 59 37.545 37.903 -0.358 1
1 626 . 13 1 1 A 59 59 ILE N N 59 119.575 119.730 -0.155 1
1 627 . 13 1 1 A 60 60 ASN H H 60 7.677 8.253 -0.576 1
1 628 . 13 1 1 A 60 60 ASN HA H 60 4.326 4.432 -0.106 1
1 633 . 13 1 1 A 60 60 ASN C C 60 177.688 177.079 0.609 1
1 634 . 13 1 1 A 60 60 ASN CA C 60 56.183 55.804 0.379 1
1 635 . 13 1 1 A 60 60 ASN CB C 60 38.549 38.924 -0.375 1
1 636 . 13 1 1 A 60 60 ASN N N 60 116.791 118.785 -1.994 1
1 638 . 13 1 1 A 61 61 HIS H H 61 7.526 7.360 0.166 1
1 639 . 13 1 1 A 61 61 HIS HA H 61 4.172 4.209 -0.037 1
1 643 . 13 1 1 A 61 61 HIS C C 61 176.063 176.433 -0.370 1
1 644 . 13 1 1 A 61 61 HIS CA C 61 58.924 57.793 1.131 1
1 645 . 13 1 1 A 61 61 HIS CB C 61 29.110 30.344 -1.234 1
1 647 . 13 1 1 A 61 61 HIS N N 61 119.310 118.859 0.451 1
1 648 . 13 1 1 A 62 62 GLN H H 62 8.345 7.911 0.434 1
1 649 . 13 1 1 A 62 62 GLN HA H 62 3.631 4.230 -0.599 1
1 656 . 13 1 1 A 62 62 GLN C C 62 177.302 178.466 -1.164 1
1 657 . 13 1 1 A 62 62 GLN CA C 62 59.260 56.902 2.358 1
1 658 . 13 1 1 A 62 62 GLN CB C 62 28.161 29.395 -1.234 1
1 660 . 13 1 1 A 62 62 GLN N N 62 115.573 117.565 -1.992 1
1 662 . 13 1 1 A 63 63 ARG H H 63 7.029 8.043 -1.014 1
1 663 . 13 1 1 A 63 63 ARG HA H 63 4.091 4.032 0.059 1
1 670 . 13 1 1 A 63 63 ARG C C 63 178.257 177.720 0.537 1
1 671 . 13 1 1 A 63 63 ARG CA C 63 58.505 58.671 -0.166 1
1 672 . 13 1 1 A 63 63 ARG CB C 63 30.046 29.590 0.456 1
1 675 . 13 1 1 A 63 63 ARG N N 63 117.521 118.702 -1.181 1
1 676 . 13 1 1 A 64 64 ILE H H 64 7.763 7.444 0.319 1
1 677 . 13 1 1 A 64 64 ILE HA H 64 3.988 3.682 0.306 1
1 687 . 13 1 1 A 64 64 ILE C C 64 177.138 178.009 -0.871 1
1 688 . 13 1 1 A 64 64 ILE CA C 64 62.780 64.079 -1.299 1
1 689 . 13 1 1 A 64 64 ILE CB C 64 37.760 37.340 0.420 1
1 693 . 13 1 1 A 64 64 ILE N N 64 115.601 116.216 -0.615 1
1 694 . 13 1 1 A 65 65 HIS H H 65 7.261 6.994 0.267 1
1 695 . 13 1 1 A 65 65 HIS HA H 65 4.867 4.417 0.450 1
1 700 . 13 1 1 A 65 65 HIS C C 65 175.314 177.815 -2.501 1
1 701 . 13 1 1 A 65 65 HIS CA C 65 54.927 59.170 -4.243 1
1 702 . 13 1 1 A 65 65 HIS CB C 65 28.723 29.988 -1.265 1
1 705 . 13 1 1 A 65 65 HIS N N 65 118.018 121.017 -2.999 1
1 706 . 13 1 1 A 66 66 THR H H 66 7.717 7.963 -0.246 1
1 707 . 13 1 1 A 66 66 THR HA H 66 4.433 4.037 0.396 1
1 712 . 13 1 1 A 66 66 THR C C 66 174.569 173.721 0.848 1
1 713 . 13 1 1 A 66 66 THR CA C 66 61.984 64.631 -2.647 1
1 714 . 13 1 1 A 66 66 THR CB C 66 69.832 68.946 0.886 1
1 716 . 13 1 1 A 66 66 THR N N 66 112.598 114.057 -1.459 1
1 717 . 13 1 1 A 67 67 SER H H 67 8.272 7.844 0.428 1
1 718 . 13 1 1 A 67 67 SER HA H 67 4.540 5.114 -0.574 1
1 721 . 13 1 1 A 67 67 SER C C 67 174.531 173.894 0.637 1
1 722 . 13 1 1 A 67 67 SER CA C 67 58.517 57.570 0.947 1
1 723 . 13 1 1 A 67 67 SER CB C 67 64.041 65.114 -1.073 1
1 724 . 13 1 1 A 67 67 SER N N 67 117.832 116.103 1.729 1
1 725 . 13 1 1 A 68 68 GLY H H 68 8.223 8.405 -0.182 1
1 726 . 13 1 1 A 68 68 GLY HA2 H 68 4.153 4.201 -0.048 1
1 727 . 13 1 1 A 68 68 GLY HA3 H 68 4.101 4.206 -0.105 1
1 728 . 13 1 1 A 68 68 GLY C C 68 171.817 174.021 -2.204 1
1 729 . 13 1 1 A 68 68 GLY CA C 68 44.704 45.236 -0.532 1
1 730 . 13 1 1 A 68 68 GLY N N 68 110.671 111.117 -0.446 1
1 731 . 13 1 1 A 69 69 PRO HA H 69 4.469 4.397 0.072 1
1 738 . 13 1 1 A 69 69 PRO CA C 69 63.244 64.843 -1.599 1
1 739 . 13 1 1 A 69 69 PRO CB C 69 32.208 32.022 0.186 1
1 1 . 14 1 1 A 7 7 GLY HA2 H 7 3.957 4.026 -0.069 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.957 4.040 -0.083 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.124 173.026 1.098 1
1 4 . 14 1 1 A 7 7 GLY CA C 7 45.359 44.704 0.655 1
1 5 . 14 1 1 A 8 8 ILE H H 8 7.939 8.650 -0.711 1
1 6 . 14 1 1 A 8 8 ILE HA H 8 4.106 4.777 -0.671 1
1 16 . 14 1 1 A 8 8 ILE C C 8 176.213 174.825 1.388 1
1 17 . 14 1 1 A 8 8 ILE CA C 8 61.378 59.513 1.865 1
1 18 . 14 1 1 A 8 8 ILE CB C 8 38.603 42.308 -3.705 1
1 22 . 14 1 1 A 8 8 ILE N N 8 119.652 120.747 -1.095 1
1 23 . 14 1 1 A 9 9 HIS H H 9 8.409 8.357 0.052 1
1 24 . 14 1 1 A 9 9 HIS C C 9 175.436 172.718 2.718 1
1 25 . 14 1 1 A 9 9 HIS CA C 9 56.065 53.316 2.749 1
1 26 . 14 1 1 A 9 9 HIS CB C 9 30.677 32.706 -2.029 1
1 27 . 14 1 1 A 9 9 HIS N N 9 123.607 122.104 1.503 1
1 28 . 14 1 1 A 10 10 SER HA H 10 4.484 5.009 -0.525 1
1 31 . 14 1 1 A 10 10 SER C C 10 174.981 175.059 -0.078 1
1 32 . 14 1 1 A 10 10 SER CA C 10 58.621 56.324 2.297 1
1 33 . 14 1 1 A 10 10 SER CB C 10 63.732 65.577 -1.845 1
1 34 . 14 1 1 A 11 11 GLY H H 11 8.447 8.882 -0.435 1
1 35 . 14 1 1 A 11 11 GLY HA2 H 11 3.936 3.844 0.092 1
1 36 . 14 1 1 A 11 11 GLY HA3 H 11 3.936 3.851 0.085 1
1 37 . 14 1 1 A 11 11 GLY C C 11 174.112 175.085 -0.973 1
1 38 . 14 1 1 A 11 11 GLY CA C 11 45.292 47.365 -2.073 1
1 39 . 14 1 1 A 11 11 GLY N N 11 110.887 113.587 -2.700 1
1 40 . 14 1 1 A 12 12 GLU H H 12 8.200 8.270 -0.070 1
1 41 . 14 1 1 A 12 12 GLU HA H 12 4.174 3.978 0.196 1
1 46 . 14 1 1 A 12 12 GLU C C 12 176.545 175.107 1.438 1
1 47 . 14 1 1 A 12 12 GLU CA C 12 56.962 57.459 -0.497 1
1 48 . 14 1 1 A 12 12 GLU CB C 12 30.388 28.709 1.679 1
1 50 . 14 1 1 A 12 12 GLU N N 12 120.059 119.203 0.856 1
1 51 . 14 1 1 A 13 13 LYS H H 13 8.280 7.863 0.417 1
1 52 . 14 1 1 A 13 13 LYS HA H 13 4.434 4.793 -0.359 1
1 61 . 14 1 1 A 13 13 LYS C C 13 173.760 175.034 -1.274 1
1 62 . 14 1 1 A 13 13 LYS CA C 13 53.742 53.426 0.316 1
1 63 . 14 1 1 A 13 13 LYS CB C 13 33.067 33.360 -0.293 1
1 67 . 14 1 1 A 13 13 LYS N N 13 121.235 119.106 2.129 1
1 68 . 14 1 1 A 14 14 PRO HA H 14 4.268 4.530 -0.262 1
1 75 . 14 1 1 A 14 14 PRO C C 14 176.391 175.848 0.543 1
1 76 . 14 1 1 A 14 14 PRO CA C 14 63.473 64.178 -0.705 1
1 77 . 14 1 1 A 14 14 PRO CB C 14 32.243 31.726 0.517 1
1 80 . 14 1 1 A 15 15 TYR H H 15 7.898 7.577 0.321 1
1 81 . 14 1 1 A 15 15 TYR HA H 15 4.609 5.143 -0.534 1
1 88 . 14 1 1 A 15 15 TYR C C 15 175.259 175.665 -0.406 1
1 89 . 14 1 1 A 15 15 TYR CA C 15 57.252 56.457 0.795 1
1 90 . 14 1 1 A 15 15 TYR CB C 15 37.800 41.063 -3.263 1
1 95 . 14 1 1 A 15 15 TYR N N 15 118.120 118.956 -0.836 1
1 96 . 14 1 1 A 16 16 GLY H H 16 8.420 8.737 -0.317 1
1 97 . 14 1 1 A 16 16 GLY HA2 H 16 4.634 4.380 0.254 1
1 98 . 14 1 1 A 16 16 GLY HA3 H 16 3.568 4.389 -0.821 1
1 99 . 14 1 1 A 16 16 GLY C C 16 172.667 172.162 0.505 1
1 100 . 14 1 1 A 16 16 GLY CA C 16 44.599 45.420 -0.821 1
1 101 . 14 1 1 A 16 16 GLY N N 16 111.924 109.833 2.091 1
1 102 . 14 1 1 A 17 17 CYS H H 17 9.142 8.687 0.455 1
1 103 . 14 1 1 A 17 17 CYS HA H 17 4.712 4.976 -0.264 1
1 106 . 14 1 1 A 17 17 CYS C C 17 177.696 174.663 3.033 1
1 107 . 14 1 1 A 17 17 CYS CA C 17 58.694 58.086 0.608 1
1 108 . 14 1 1 A 17 17 CYS CB C 17 29.770 29.656 0.114 1
1 109 . 14 1 1 A 17 17 CYS N N 17 125.008 118.140 6.868 1
1 110 . 14 1 1 A 18 18 VAL H H 18 9.089 8.576 0.513 1
1 111 . 14 1 1 A 18 18 VAL HA H 18 4.003 4.127 -0.124 1
1 119 . 14 1 1 A 18 18 VAL C C 18 176.506 177.679 -1.173 1
1 120 . 14 1 1 A 18 18 VAL CA C 18 64.407 63.619 0.788 1
1 121 . 14 1 1 A 18 18 VAL CB C 18 31.744 33.086 -1.342 1
1 124 . 14 1 1 A 18 18 VAL N N 18 129.598 124.415 5.183 1
1 125 . 14 1 1 A 19 19 GLU H H 19 8.413 7.731 0.682 1
1 126 . 14 1 1 A 19 19 GLU HA H 19 4.187 3.707 0.480 1
1 131 . 14 1 1 A 19 19 GLU C C 19 177.385 177.935 -0.550 1
1 132 . 14 1 1 A 19 19 GLU CA C 19 58.535 59.257 -0.722 1
1 133 . 14 1 1 A 19 19 GLU CB C 19 29.358 28.631 0.727 1
1 135 . 14 1 1 A 19 19 GLU N N 19 121.264 122.261 -0.997 1
1 136 . 14 1 1 A 20 20 CYS H H 20 7.854 7.398 0.456 1
1 137 . 14 1 1 A 20 20 CYS HA H 20 5.142 4.643 0.499 1
1 140 . 14 1 1 A 20 20 CYS C C 20 176.237 175.630 0.607 1
1 141 . 14 1 1 A 20 20 CYS CA C 20 58.341 59.464 -1.123 1
1 142 . 14 1 1 A 20 20 CYS CB C 20 32.531 30.210 2.321 1
1 143 . 14 1 1 A 20 20 CYS N N 20 113.736 114.795 -1.059 1
1 144 . 14 1 1 A 21 21 GLY H H 21 8.281 8.194 0.087 1
1 145 . 14 1 1 A 21 21 GLY HA2 H 21 4.216 4.023 0.193 1
1 146 . 14 1 1 A 21 21 GLY HA3 H 21 3.784 4.040 -0.256 1
1 147 . 14 1 1 A 21 21 GLY C C 21 174.288 174.149 0.139 1
1 148 . 14 1 1 A 21 21 GLY CA C 21 46.159 45.321 0.838 1
1 149 . 14 1 1 A 21 21 GLY N N 21 113.574 110.107 3.467 1
1 150 . 14 1 1 A 22 22 LYS H H 22 7.891 7.734 0.157 1
1 151 . 14 1 1 A 22 22 LYS HA H 22 3.989 4.218 -0.229 1
1 160 . 14 1 1 A 22 22 LYS C C 22 173.452 174.938 -1.486 1
1 161 . 14 1 1 A 22 22 LYS CA C 22 57.789 55.018 2.771 1
1 162 . 14 1 1 A 22 22 LYS CB C 22 34.125 33.078 1.047 1
1 166 . 14 1 1 A 22 22 LYS N N 22 122.877 119.379 3.498 1
1 167 . 14 1 1 A 23 23 ALA H H 23 7.645 8.616 -0.971 1
1 168 . 14 1 1 A 23 23 ALA HA H 23 4.925 5.596 -0.671 1
1 172 . 14 1 1 A 23 23 ALA C C 23 175.868 175.540 0.328 1
1 173 . 14 1 1 A 23 23 ALA CA C 23 50.523 49.746 0.777 1
1 174 . 14 1 1 A 23 23 ALA CB C 23 22.145 21.977 0.168 1
1 175 . 14 1 1 A 23 23 ALA N N 23 122.280 126.582 -4.302 1
1 176 . 14 1 1 A 24 24 PHE H H 24 8.337 8.802 -0.465 1
1 177 . 14 1 1 A 24 24 PHE HA H 24 4.890 4.967 -0.077 1
1 185 . 14 1 1 A 24 24 PHE C C 24 175.994 176.077 -0.083 1
1 186 . 14 1 1 A 24 24 PHE CA C 24 56.926 56.334 0.592 1
1 187 . 14 1 1 A 24 24 PHE CB C 24 43.626 40.952 2.674 1
1 193 . 14 1 1 A 24 24 PHE N N 24 116.352 118.574 -2.222 1
1 194 . 14 1 1 A 25 25 SER H H 25 9.344 8.968 0.376 1
1 195 . 14 1 1 A 25 25 SER HA H 25 4.612 4.200 0.412 1
1 198 . 14 1 1 A 25 25 SER C C 25 174.148 174.731 -0.583 1
1 199 . 14 1 1 A 25 25 SER CA C 25 60.554 62.077 -1.523 1
1 200 . 14 1 1 A 25 25 SER CB C 25 64.329 62.961 1.368 1
1 201 . 14 1 1 A 25 25 SER N N 25 115.148 120.101 -4.953 1
1 202 . 14 1 1 A 26 26 ARG H H 26 7.040 7.893 -0.853 1
1 203 . 14 1 1 A 26 26 ARG HA H 26 4.719 4.599 0.120 1
1 210 . 14 1 1 A 26 26 ARG C C 26 176.116 176.103 0.013 1
1 211 . 14 1 1 A 26 26 ARG CA C 26 54.417 54.155 0.262 1
1 212 . 14 1 1 A 26 26 ARG CB C 26 34.587 32.849 1.738 1
1 215 . 14 1 1 A 26 26 ARG N N 26 115.877 119.970 -4.093 1
1 216 . 14 1 1 A 27 27 SER H H 27 8.441 8.602 -0.161 1
1 217 . 14 1 1 A 27 27 SER HA H 27 3.278 3.707 -0.429 1
1 220 . 14 1 1 A 27 27 SER CA C 27 61.160 60.849 0.311 1
1 221 . 14 1 1 A 27 27 SER CB C 27 61.910 61.996 -0.086 1
1 222 . 14 1 1 A 27 27 SER N N 27 120.683 118.167 2.516 1
1 223 . 14 1 1 A 28 28 SER HA H 28 3.969 4.149 -0.180 1
1 226 . 14 1 1 A 28 28 SER C C 28 176.640 177.223 -0.583 1
1 227 . 14 1 1 A 28 28 SER CA C 28 61.029 61.585 -0.556 1
1 228 . 14 1 1 A 28 28 SER CB C 28 61.506 62.426 -0.920 1
1 229 . 14 1 1 A 29 29 ILE H H 29 6.628 7.712 -1.084 1
1 230 . 14 1 1 A 29 29 ILE HA H 29 3.725 3.566 0.159 1
1 240 . 14 1 1 A 29 29 ILE C C 29 178.108 177.881 0.227 1
1 241 . 14 1 1 A 29 29 ILE CA C 29 63.470 64.443 -0.973 1
1 242 . 14 1 1 A 29 29 ILE CB C 29 38.013 37.135 0.878 1
1 246 . 14 1 1 A 29 29 ILE N N 29 122.549 123.049 -0.500 1
1 247 . 14 1 1 A 30 30 LEU H H 30 7.003 7.990 -0.987 1
1 248 . 14 1 1 A 30 30 LEU HA H 30 3.511 3.769 -0.258 1
1 258 . 14 1 1 A 30 30 LEU C C 30 177.880 178.733 -0.853 1
1 259 . 14 1 1 A 30 30 LEU CA C 30 58.394 58.011 0.383 1
1 260 . 14 1 1 A 30 30 LEU CB C 30 40.239 41.876 -1.637 1
1 264 . 14 1 1 A 30 30 LEU N N 30 122.518 122.112 0.406 1
1 265 . 14 1 1 A 31 31 VAL H H 31 8.203 8.045 0.158 1
1 266 . 14 1 1 A 31 31 VAL HA H 31 3.709 3.492 0.217 1
1 274 . 14 1 1 A 31 31 VAL C C 31 179.070 177.438 1.632 1
1 275 . 14 1 1 A 31 31 VAL CA C 31 66.618 67.089 -0.471 1
1 276 . 14 1 1 A 31 31 VAL CB C 31 31.624 31.351 0.273 1
1 279 . 14 1 1 A 31 31 VAL N N 31 118.600 119.600 -1.000 1
1 280 . 14 1 1 A 32 32 GLN H H 32 7.323 7.819 -0.496 1
1 281 . 14 1 1 A 32 32 GLN HA H 32 3.927 4.016 -0.089 1
1 288 . 14 1 1 A 32 32 GLN C C 32 178.751 178.434 0.317 1
1 289 . 14 1 1 A 32 32 GLN CA C 32 58.772 58.653 0.119 1
1 290 . 14 1 1 A 32 32 GLN CB C 32 28.368 28.054 0.314 1
1 292 . 14 1 1 A 32 32 GLN N N 32 118.113 118.004 0.109 1
1 294 . 14 1 1 A 33 33 HIS H H 33 8.046 8.095 -0.049 1
1 295 . 14 1 1 A 33 33 HIS HA H 33 4.148 4.191 -0.043 1
1 300 . 14 1 1 A 33 33 HIS C C 33 176.164 177.613 -1.449 1
1 301 . 14 1 1 A 33 33 HIS CA C 33 59.033 60.161 -1.128 1
1 302 . 14 1 1 A 33 33 HIS CB C 33 27.726 29.676 -1.950 1
1 305 . 14 1 1 A 33 33 HIS N N 33 120.097 121.175 -1.078 1
1 306 . 14 1 1 A 34 34 GLN H H 34 8.348 8.372 -0.024 1
1 307 . 14 1 1 A 34 34 GLN HA H 34 3.630 4.051 -0.421 1
1 314 . 14 1 1 A 34 34 GLN C C 34 177.457 178.745 -1.288 1
1 315 . 14 1 1 A 34 34 GLN CA C 34 59.367 59.218 0.149 1
1 316 . 14 1 1 A 34 34 GLN CB C 34 28.158 28.314 -0.156 1
1 318 . 14 1 1 A 34 34 GLN N N 34 115.621 118.749 -3.128 1
1 320 . 14 1 1 A 35 35 ARG H H 35 7.167 7.472 -0.305 1
1 321 . 14 1 1 A 35 35 ARG HA H 35 4.094 4.095 -0.001 1
1 328 . 14 1 1 A 35 35 ARG C C 35 178.544 178.075 0.469 1
1 329 . 14 1 1 A 35 35 ARG CA C 35 58.553 58.467 0.086 1
1 330 . 14 1 1 A 35 35 ARG CB C 35 30.016 29.970 0.046 1
1 333 . 14 1 1 A 35 35 ARG N N 35 117.694 119.569 -1.875 1
1 334 . 14 1 1 A 36 36 VAL H H 36 7.878 7.317 0.561 1
1 335 . 14 1 1 A 36 36 VAL HA H 36 3.885 3.952 -0.067 1
1 343 . 14 1 1 A 36 36 VAL C C 36 177.246 175.789 1.457 1
1 344 . 14 1 1 A 36 36 VAL CA C 36 63.924 62.664 1.260 1
1 345 . 14 1 1 A 36 36 VAL CB C 36 31.137 31.225 -0.088 1
1 348 . 14 1 1 A 36 36 VAL N N 36 116.056 116.861 -0.805 1
1 349 . 14 1 1 A 37 37 HIS H H 37 7.151 7.644 -0.493 1
1 350 . 14 1 1 A 37 37 HIS HA H 37 4.877 4.864 0.013 1
1 355 . 14 1 1 A 37 37 HIS C C 37 175.769 174.824 0.945 1
1 356 . 14 1 1 A 37 37 HIS CA C 37 55.034 55.559 -0.525 1
1 357 . 14 1 1 A 37 37 HIS CB C 37 28.415 29.817 -1.402 1
1 360 . 14 1 1 A 37 37 HIS N N 37 117.486 119.172 -1.686 1
1 361 . 14 1 1 A 38 38 THR H H 38 7.769 7.845 -0.076 1
1 362 . 14 1 1 A 38 38 THR HA H 38 4.288 4.565 -0.277 1
1 367 . 14 1 1 A 38 38 THR C C 38 175.391 174.437 0.954 1
1 368 . 14 1 1 A 38 38 THR CA C 38 62.697 60.275 2.422 1
1 369 . 14 1 1 A 38 38 THR CB C 38 69.738 70.160 -0.422 1
1 371 . 14 1 1 A 38 38 THR N N 38 112.779 110.384 2.395 1
1 372 . 14 1 1 A 39 39 GLY H H 39 8.251 8.874 -0.623 1
1 373 . 14 1 1 A 39 39 GLY HA2 H 39 3.994 3.983 0.011 1
1 374 . 14 1 1 A 39 39 GLY HA3 H 39 3.920 3.984 -0.064 1
1 375 . 14 1 1 A 39 39 GLY C C 39 174.076 173.865 0.211 1
1 376 . 14 1 1 A 39 39 GLY CA C 39 45.288 45.315 -0.027 1
1 377 . 14 1 1 A 39 39 GLY N N 39 110.331 113.825 -3.494 1
1 378 . 14 1 1 A 40 40 GLU H H 40 8.076 7.920 0.156 1
1 379 . 14 1 1 A 40 40 GLU HA H 40 4.139 4.328 -0.189 1
1 384 . 14 1 1 A 40 40 GLU C C 40 176.602 176.880 -0.278 1
1 385 . 14 1 1 A 40 40 GLU CA C 40 56.915 55.964 0.951 1
1 386 . 14 1 1 A 40 40 GLU CB C 40 30.414 29.683 0.731 1
1 388 . 14 1 1 A 40 40 GLU N N 40 120.155 120.958 -0.803 1
1 389 . 14 1 1 A 41 41 LYS H H 41 8.274 7.834 0.440 1
1 390 . 14 1 1 A 41 41 LYS HA H 41 4.496 4.727 -0.231 1
1 399 . 14 1 1 A 41 41 LYS C C 41 173.906 176.223 -2.317 1
1 400 . 14 1 1 A 41 41 LYS CA C 41 53.865 53.732 0.133 1
1 401 . 14 1 1 A 41 41 LYS CB C 41 33.372 32.795 0.577 1
1 405 . 14 1 1 A 41 41 LYS N N 41 121.689 118.772 2.917 1
1 406 . 14 1 1 A 42 42 PRO HA H 42 4.253 4.466 -0.213 1
1 413 . 14 1 1 A 42 42 PRO C C 42 176.660 175.724 0.936 1
1 414 . 14 1 1 A 42 42 PRO CA C 42 63.718 64.171 -0.453 1
1 415 . 14 1 1 A 42 42 PRO CB C 42 32.320 31.343 0.977 1
1 418 . 14 1 1 A 43 43 TYR H H 43 7.693 7.481 0.212 1
1 419 . 14 1 1 A 43 43 TYR HA H 43 4.600 4.928 -0.328 1
1 426 . 14 1 1 A 43 43 TYR C C 43 174.460 174.570 -0.110 1
1 427 . 14 1 1 A 43 43 TYR CA C 43 57.722 57.221 0.501 1
1 428 . 14 1 1 A 43 43 TYR CB C 43 37.840 39.138 -1.298 1
1 433 . 14 1 1 A 43 43 TYR N N 43 118.327 118.927 -0.600 1
1 434 . 14 1 1 A 44 44 LYS H H 44 8.335 9.114 -0.779 1
1 435 . 14 1 1 A 44 44 LYS HA H 44 4.826 5.532 -0.706 1
1 444 . 14 1 1 A 44 44 LYS C C 44 174.679 174.912 -0.233 1
1 445 . 14 1 1 A 44 44 LYS CA C 44 55.423 54.374 1.049 1
1 446 . 14 1 1 A 44 44 LYS CB C 44 35.380 36.088 -0.708 1
1 450 . 14 1 1 A 44 44 LYS N N 44 125.187 125.636 -0.449 1
1 451 . 14 1 1 A 45 45 CYS H H 45 9.250 9.510 -0.260 1
1 452 . 14 1 1 A 45 45 CYS HA H 45 4.536 4.825 -0.289 1
1 455 . 14 1 1 A 45 45 CYS C C 45 177.400 174.672 2.728 1
1 456 . 14 1 1 A 45 45 CYS CA C 45 59.384 58.754 0.630 1
1 457 . 14 1 1 A 45 45 CYS CB C 45 29.482 29.330 0.152 1
1 458 . 14 1 1 A 45 45 CYS N N 45 126.431 123.722 2.709 1
1 459 . 14 1 1 A 46 46 LEU H H 46 9.297 8.550 0.747 1
1 460 . 14 1 1 A 46 46 LEU HA H 46 4.192 4.606 -0.414 1
1 470 . 14 1 1 A 46 46 LEU C C 46 177.806 178.050 -0.244 1
1 471 . 14 1 1 A 46 46 LEU CA C 46 56.944 55.173 1.771 1
1 472 . 14 1 1 A 46 46 LEU CB C 46 41.269 43.745 -2.476 1
1 476 . 14 1 1 A 46 46 LEU N N 46 132.501 127.190 5.311 1
1 477 . 14 1 1 A 47 47 GLU H H 47 8.568 8.312 0.256 1
1 478 . 14 1 1 A 47 47 GLU HA H 47 4.161 3.996 0.165 1
1 483 . 14 1 1 A 47 47 GLU C C 47 177.358 178.086 -0.728 1
1 484 . 14 1 1 A 47 47 GLU CA C 47 58.545 59.051 -0.506 1
1 485 . 14 1 1 A 47 47 GLU CB C 47 29.500 28.927 0.573 1
1 487 . 14 1 1 A 47 47 GLU N N 47 120.165 119.878 0.287 1
1 488 . 14 1 1 A 48 48 CYS H H 48 7.979 7.207 0.772 1
1 489 . 14 1 1 A 48 48 CYS HA H 48 5.182 4.512 0.670 1
1 492 . 14 1 1 A 48 48 CYS C C 48 176.224 175.421 0.803 1
1 493 . 14 1 1 A 48 48 CYS CA C 48 58.210 59.545 -1.335 1
1 494 . 14 1 1 A 48 48 CYS CB C 48 32.531 29.669 2.862 1
1 495 . 14 1 1 A 48 48 CYS N N 48 114.531 114.682 -0.151 1
1 496 . 14 1 1 A 49 49 GLY H H 49 8.156 7.956 0.200 1
1 497 . 14 1 1 A 49 49 GLY HA2 H 49 4.273 4.103 0.170 1
1 498 . 14 1 1 A 49 49 GLY HA3 H 49 3.771 4.135 -0.364 1
1 499 . 14 1 1 A 49 49 GLY C C 49 173.907 173.141 0.766 1
1 500 . 14 1 1 A 49 49 GLY CA C 49 46.207 44.917 1.290 1
1 501 . 14 1 1 A 49 49 GLY N N 49 113.613 108.967 4.646 1
1 502 . 14 1 1 A 50 50 LYS H H 50 7.961 8.999 -1.038 1
1 503 . 14 1 1 A 50 50 LYS HA H 50 3.936 4.701 -0.765 1
1 512 . 14 1 1 A 50 50 LYS C C 50 173.571 174.330 -0.759 1
1 513 . 14 1 1 A 50 50 LYS CA C 50 58.199 54.554 3.645 1
1 514 . 14 1 1 A 50 50 LYS CB C 50 33.479 36.871 -3.392 1
1 518 . 14 1 1 A 50 50 LYS N N 50 123.259 123.221 0.038 1
1 519 . 14 1 1 A 51 51 ALA H H 51 7.740 8.484 -0.744 1
1 520 . 14 1 1 A 51 51 ALA HA H 51 5.179 5.492 -0.313 1
1 524 . 14 1 1 A 51 51 ALA C C 51 175.844 174.984 0.860 1
1 525 . 14 1 1 A 51 51 ALA CA C 51 50.329 50.331 -0.002 1
1 526 . 14 1 1 A 51 51 ALA CB C 51 22.741 22.554 0.187 1
1 527 . 14 1 1 A 51 51 ALA N N 51 123.792 121.598 2.194 1
1 528 . 14 1 1 A 52 52 PHE H H 52 8.698 9.117 -0.419 1
1 529 . 14 1 1 A 52 52 PHE HA H 52 4.653 5.069 -0.416 1
1 537 . 14 1 1 A 52 52 PHE C C 52 175.640 176.032 -0.392 1
1 538 . 14 1 1 A 52 52 PHE CA C 52 57.636 57.108 0.528 1
1 539 . 14 1 1 A 52 52 PHE CB C 52 43.314 43.040 0.274 1
1 545 . 14 1 1 A 52 52 PHE N N 52 116.792 117.787 -0.995 1
1 546 . 14 1 1 A 53 53 SER H H 53 9.246 9.039 0.207 1
1 547 . 14 1 1 A 53 53 SER HA H 53 4.627 4.796 -0.169 1
1 550 . 14 1 1 A 53 53 SER C C 53 173.837 175.005 -1.168 1
1 551 . 14 1 1 A 53 53 SER CA C 53 60.959 60.731 0.228 1
1 552 . 14 1 1 A 53 53 SER CB C 53 64.077 63.403 0.674 1
1 553 . 14 1 1 A 53 53 SER N N 53 116.932 117.278 -0.346 1
1 554 . 14 1 1 A 54 54 GLN H H 54 7.873 8.138 -0.265 1
1 555 . 14 1 1 A 54 54 GLN HA H 54 4.774 4.768 0.006 1
1 562 . 14 1 1 A 54 54 GLN C C 54 176.112 175.445 0.667 1
1 563 . 14 1 1 A 54 54 GLN CA C 54 53.972 54.600 -0.628 1
1 564 . 14 1 1 A 54 54 GLN CB C 54 32.160 31.345 0.815 1
1 566 . 14 1 1 A 54 54 GLN N N 54 116.030 120.587 -4.557 1
1 568 . 14 1 1 A 55 55 ASN H H 55 8.494 8.481 0.013 1
1 569 . 14 1 1 A 55 55 ASN HA H 55 3.540 3.742 -0.202 1
1 574 . 14 1 1 A 55 55 ASN C C 55 177.306 176.570 0.736 1
1 575 . 14 1 1 A 55 55 ASN CA C 55 56.094 56.249 -0.155 1
1 576 . 14 1 1 A 55 55 ASN CB C 55 38.260 37.775 0.485 1
1 577 . 14 1 1 A 55 55 ASN N N 55 124.248 122.792 1.456 1
1 579 . 14 1 1 A 56 56 SER HA H 56 3.867 4.145 -0.278 1
1 582 . 14 1 1 A 56 56 SER C C 56 176.822 176.910 -0.088 1
1 583 . 14 1 1 A 56 56 SER CA C 56 60.888 61.118 -0.230 1
1 584 . 14 1 1 A 56 56 SER CB C 56 61.588 62.880 -1.292 1
1 585 . 14 1 1 A 57 57 GLY H H 57 7.104 7.932 -0.828 1
1 586 . 14 1 1 A 57 57 GLY HA2 H 57 3.893 3.728 0.165 1
1 587 . 14 1 1 A 57 57 GLY HA3 H 57 3.718 3.773 -0.055 1
1 588 . 14 1 1 A 57 57 GLY C C 57 175.641 175.301 0.340 1
1 589 . 14 1 1 A 57 57 GLY CA C 57 46.508 46.942 -0.434 1
1 590 . 14 1 1 A 57 57 GLY N N 57 109.816 107.263 2.553 1
1 591 . 14 1 1 A 58 58 LEU H H 58 6.781 7.670 -0.889 1
1 592 . 14 1 1 A 58 58 LEU HA H 58 3.288 2.712 0.576 1
1 602 . 14 1 1 A 58 58 LEU C C 58 177.650 178.063 -0.413 1
1 603 . 14 1 1 A 58 58 LEU CA C 58 57.726 56.698 1.028 1
1 604 . 14 1 1 A 58 58 LEU CB C 58 40.656 41.141 -0.485 1
1 608 . 14 1 1 A 58 58 LEU N N 58 124.058 121.982 2.076 1
1 609 . 14 1 1 A 59 59 ILE H H 59 8.281 8.218 0.063 1
1 610 . 14 1 1 A 59 59 ILE HA H 59 3.686 3.590 0.096 1
1 620 . 14 1 1 A 59 59 ILE C C 59 179.220 177.914 1.306 1
1 621 . 14 1 1 A 59 59 ILE CA C 59 64.389 65.268 -0.879 1
1 622 . 14 1 1 A 59 59 ILE CB C 59 37.545 37.708 -0.163 1
1 626 . 14 1 1 A 59 59 ILE N N 59 119.575 120.120 -0.545 1
1 627 . 14 1 1 A 60 60 ASN H H 60 7.677 8.236 -0.559 1
1 628 . 14 1 1 A 60 60 ASN HA H 60 4.326 4.463 -0.137 1
1 633 . 14 1 1 A 60 60 ASN C C 60 177.688 177.046 0.642 1
1 634 . 14 1 1 A 60 60 ASN CA C 60 56.183 55.742 0.441 1
1 635 . 14 1 1 A 60 60 ASN CB C 60 38.549 38.824 -0.275 1
1 636 . 14 1 1 A 60 60 ASN N N 60 116.791 118.823 -2.032 1
1 638 . 14 1 1 A 61 61 HIS H H 61 7.526 7.668 -0.142 1
1 639 . 14 1 1 A 61 61 HIS HA H 61 4.172 4.236 -0.064 1
1 643 . 14 1 1 A 61 61 HIS C C 61 176.063 176.449 -0.386 1
1 644 . 14 1 1 A 61 61 HIS CA C 61 58.924 57.845 1.079 1
1 645 . 14 1 1 A 61 61 HIS CB C 61 29.110 30.424 -1.314 1
1 647 . 14 1 1 A 61 61 HIS N N 61 119.310 118.911 0.399 1
1 648 . 14 1 1 A 62 62 GLN H H 62 8.345 7.897 0.448 1
1 649 . 14 1 1 A 62 62 GLN HA H 62 3.631 4.311 -0.680 1
1 656 . 14 1 1 A 62 62 GLN C C 62 177.302 178.417 -1.115 1
1 657 . 14 1 1 A 62 62 GLN CA C 62 59.260 56.593 2.667 1
1 658 . 14 1 1 A 62 62 GLN CB C 62 28.161 29.248 -1.087 1
1 660 . 14 1 1 A 62 62 GLN N N 62 115.573 117.516 -1.943 1
1 662 . 14 1 1 A 63 63 ARG H H 63 7.029 7.884 -0.855 1
1 663 . 14 1 1 A 63 63 ARG HA H 63 4.091 4.048 0.043 1
1 670 . 14 1 1 A 63 63 ARG C C 63 178.257 178.069 0.188 1
1 671 . 14 1 1 A 63 63 ARG CA C 63 58.505 58.693 -0.188 1
1 672 . 14 1 1 A 63 63 ARG CB C 63 30.046 29.471 0.575 1
1 675 . 14 1 1 A 63 63 ARG N N 63 117.521 118.800 -1.279 1
1 676 . 14 1 1 A 64 64 ILE H H 64 7.763 7.421 0.342 1
1 677 . 14 1 1 A 64 64 ILE HA H 64 3.988 3.734 0.254 1
1 687 . 14 1 1 A 64 64 ILE C C 64 177.138 177.783 -0.645 1
1 688 . 14 1 1 A 64 64 ILE CA C 64 62.780 64.164 -1.384 1
1 689 . 14 1 1 A 64 64 ILE CB C 64 37.760 37.340 0.420 1
1 693 . 14 1 1 A 64 64 ILE N N 64 115.601 116.222 -0.621 1
1 694 . 14 1 1 A 65 65 HIS H H 65 7.261 7.277 -0.016 1
1 695 . 14 1 1 A 65 65 HIS HA H 65 4.867 4.347 0.520 1
1 700 . 14 1 1 A 65 65 HIS C C 65 175.314 176.602 -1.288 1
1 701 . 14 1 1 A 65 65 HIS CA C 65 54.927 59.189 -4.262 1
1 702 . 14 1 1 A 65 65 HIS CB C 65 28.723 29.932 -1.209 1
1 705 . 14 1 1 A 65 65 HIS N N 65 118.018 120.427 -2.409 1
1 706 . 14 1 1 A 66 66 THR H H 66 7.717 7.242 0.475 1
1 707 . 14 1 1 A 66 66 THR HA H 66 4.433 4.426 0.007 1
1 712 . 14 1 1 A 66 66 THR C C 66 174.569 173.102 1.467 1
1 713 . 14 1 1 A 66 66 THR CA C 66 61.984 61.424 0.560 1
1 714 . 14 1 1 A 66 66 THR CB C 66 69.832 68.698 1.134 1
1 716 . 14 1 1 A 66 66 THR N N 66 112.598 112.580 0.018 1
1 717 . 14 1 1 A 67 67 SER H H 67 8.272 8.628 -0.356 1
1 718 . 14 1 1 A 67 67 SER HA H 67 4.540 5.192 -0.652 1
1 721 . 14 1 1 A 67 67 SER C C 67 174.531 173.312 1.219 1
1 722 . 14 1 1 A 67 67 SER CA C 67 58.517 57.011 1.506 1
1 723 . 14 1 1 A 67 67 SER CB C 67 64.041 66.035 -1.994 1
1 724 . 14 1 1 A 67 67 SER N N 67 117.832 121.633 -3.801 1
1 725 . 14 1 1 A 68 68 GLY H H 68 8.223 8.412 -0.189 1
1 726 . 14 1 1 A 68 68 GLY HA2 H 68 4.153 4.034 0.119 1
1 727 . 14 1 1 A 68 68 GLY HA3 H 68 4.101 4.034 0.067 1
1 728 . 14 1 1 A 68 68 GLY C C 68 171.817 173.685 -1.868 1
1 729 . 14 1 1 A 68 68 GLY CA C 68 44.704 45.651 -0.947 1
1 730 . 14 1 1 A 68 68 GLY N N 68 110.671 110.063 0.608 1
1 731 . 14 1 1 A 69 69 PRO HA H 69 4.469 4.352 0.117 1
1 738 . 14 1 1 A 69 69 PRO CA C 69 63.244 64.727 -1.483 1
1 739 . 14 1 1 A 69 69 PRO CB C 69 32.208 32.122 0.086 1
1 1 . 15 1 1 A 7 7 GLY HA2 H 7 3.957 4.155 -0.198 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.957 4.158 -0.201 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.124 173.549 0.575 1
1 4 . 15 1 1 A 7 7 GLY CA C 7 45.359 46.164 -0.805 1
1 5 . 15 1 1 A 8 8 ILE H H 8 7.939 8.415 -0.476 1
1 6 . 15 1 1 A 8 8 ILE HA H 8 4.106 3.706 0.400 1
1 16 . 15 1 1 A 8 8 ILE C C 8 176.213 174.643 1.570 1
1 17 . 15 1 1 A 8 8 ILE CA C 8 61.378 62.403 -1.025 1
1 18 . 15 1 1 A 8 8 ILE CB C 8 38.603 36.750 1.853 1
1 22 . 15 1 1 A 8 8 ILE N N 8 119.652 121.584 -1.932 1
1 23 . 15 1 1 A 9 9 HIS H H 9 8.409 8.035 0.374 1
1 24 . 15 1 1 A 9 9 HIS C C 9 175.436 174.315 1.121 1
1 25 . 15 1 1 A 9 9 HIS CA C 9 56.065 55.247 0.818 1
1 26 . 15 1 1 A 9 9 HIS CB C 9 30.677 31.505 -0.828 1
1 27 . 15 1 1 A 9 9 HIS N N 9 123.607 118.067 5.540 1
1 28 . 15 1 1 A 10 10 SER HA H 10 4.484 4.731 -0.247 1
1 31 . 15 1 1 A 10 10 SER C C 10 174.981 173.228 1.753 1
1 32 . 15 1 1 A 10 10 SER CA C 10 58.621 57.231 1.390 1
1 33 . 15 1 1 A 10 10 SER CB C 10 63.732 67.884 -4.152 1
1 34 . 15 1 1 A 11 11 GLY H H 11 8.447 8.287 0.160 1
1 35 . 15 1 1 A 11 11 GLY HA2 H 11 3.936 4.137 -0.201 1
1 36 . 15 1 1 A 11 11 GLY HA3 H 11 3.936 4.164 -0.228 1
1 37 . 15 1 1 A 11 11 GLY C C 11 174.112 173.675 0.437 1
1 38 . 15 1 1 A 11 11 GLY CA C 11 45.292 45.333 -0.041 1
1 39 . 15 1 1 A 11 11 GLY N N 11 110.887 108.899 1.988 1
1 40 . 15 1 1 A 12 12 GLU H H 12 8.200 7.911 0.289 1
1 41 . 15 1 1 A 12 12 GLU HA H 12 4.174 4.825 -0.651 1
1 46 . 15 1 1 A 12 12 GLU C C 12 176.545 175.425 1.120 1
1 47 . 15 1 1 A 12 12 GLU CA C 12 56.962 54.641 2.321 1
1 48 . 15 1 1 A 12 12 GLU CB C 12 30.388 33.038 -2.650 1
1 50 . 15 1 1 A 12 12 GLU N N 12 120.059 120.861 -0.802 1
1 51 . 15 1 1 A 13 13 LYS H H 13 8.280 8.594 -0.314 1
1 52 . 15 1 1 A 13 13 LYS HA H 13 4.434 4.961 -0.527 1
1 61 . 15 1 1 A 13 13 LYS C C 13 173.760 175.506 -1.746 1
1 62 . 15 1 1 A 13 13 LYS CA C 13 53.742 53.037 0.705 1
1 63 . 15 1 1 A 13 13 LYS CB C 13 33.067 33.282 -0.215 1
1 67 . 15 1 1 A 13 13 LYS N N 13 121.235 125.345 -4.110 1
1 68 . 15 1 1 A 14 14 PRO HA H 14 4.268 4.551 -0.283 1
1 75 . 15 1 1 A 14 14 PRO C C 14 176.391 175.910 0.481 1
1 76 . 15 1 1 A 14 14 PRO CA C 14 63.473 64.278 -0.805 1
1 77 . 15 1 1 A 14 14 PRO CB C 14 32.243 31.641 0.602 1
1 80 . 15 1 1 A 15 15 TYR H H 15 7.898 7.634 0.264 1
1 81 . 15 1 1 A 15 15 TYR HA H 15 4.609 5.105 -0.496 1
1 88 . 15 1 1 A 15 15 TYR C C 15 175.259 175.756 -0.497 1
1 89 . 15 1 1 A 15 15 TYR CA C 15 57.252 56.459 0.793 1
1 90 . 15 1 1 A 15 15 TYR CB C 15 37.800 41.297 -3.497 1
1 95 . 15 1 1 A 15 15 TYR N N 15 118.120 119.036 -0.916 1
1 96 . 15 1 1 A 16 16 GLY H H 16 8.420 8.698 -0.278 1
1 97 . 15 1 1 A 16 16 GLY HA2 H 16 4.634 4.411 0.223 1
1 98 . 15 1 1 A 16 16 GLY HA3 H 16 3.568 4.474 -0.906 1
1 99 . 15 1 1 A 16 16 GLY C C 16 172.667 172.133 0.534 1
1 100 . 15 1 1 A 16 16 GLY CA C 16 44.599 45.485 -0.886 1
1 101 . 15 1 1 A 16 16 GLY N N 16 111.924 109.695 2.229 1
1 102 . 15 1 1 A 17 17 CYS H H 17 9.142 8.962 0.180 1
1 103 . 15 1 1 A 17 17 CYS HA H 17 4.712 5.059 -0.347 1
1 106 . 15 1 1 A 17 17 CYS C C 17 177.696 175.096 2.600 1
1 107 . 15 1 1 A 17 17 CYS CA C 17 58.694 58.092 0.602 1
1 108 . 15 1 1 A 17 17 CYS CB C 17 29.770 29.949 -0.179 1
1 109 . 15 1 1 A 17 17 CYS N N 17 125.008 118.208 6.800 1
1 110 . 15 1 1 A 18 18 VAL H H 18 9.089 8.706 0.383 1
1 111 . 15 1 1 A 18 18 VAL HA H 18 4.003 4.121 -0.118 1
1 119 . 15 1 1 A 18 18 VAL C C 18 176.506 177.762 -1.256 1
1 120 . 15 1 1 A 18 18 VAL CA C 18 64.407 63.990 0.417 1
1 121 . 15 1 1 A 18 18 VAL CB C 18 31.744 32.928 -1.184 1
1 124 . 15 1 1 A 18 18 VAL N N 18 129.598 125.192 4.406 1
1 125 . 15 1 1 A 19 19 GLU H H 19 8.413 7.940 0.473 1
1 126 . 15 1 1 A 19 19 GLU HA H 19 4.187 3.901 0.286 1
1 131 . 15 1 1 A 19 19 GLU C C 19 177.385 177.845 -0.460 1
1 132 . 15 1 1 A 19 19 GLU CA C 19 58.535 59.549 -1.014 1
1 133 . 15 1 1 A 19 19 GLU CB C 19 29.358 28.873 0.485 1
1 135 . 15 1 1 A 19 19 GLU N N 19 121.264 121.825 -0.561 1
1 136 . 15 1 1 A 20 20 CYS H H 20 7.854 7.393 0.461 1
1 137 . 15 1 1 A 20 20 CYS HA H 20 5.142 4.703 0.439 1
1 140 . 15 1 1 A 20 20 CYS C C 20 176.237 175.746 0.491 1
1 141 . 15 1 1 A 20 20 CYS CA C 20 58.341 59.412 -1.071 1
1 142 . 15 1 1 A 20 20 CYS CB C 20 32.531 30.097 2.434 1
1 143 . 15 1 1 A 20 20 CYS N N 20 113.736 114.210 -0.474 1
1 144 . 15 1 1 A 21 21 GLY H H 21 8.281 8.225 0.056 1
1 145 . 15 1 1 A 21 21 GLY HA2 H 21 4.216 4.047 0.169 1
1 146 . 15 1 1 A 21 21 GLY HA3 H 21 3.784 4.054 -0.270 1
1 147 . 15 1 1 A 21 21 GLY C C 21 174.288 174.231 0.057 1
1 148 . 15 1 1 A 21 21 GLY CA C 21 46.159 45.611 0.548 1
1 149 . 15 1 1 A 21 21 GLY N N 21 113.574 109.810 3.764 1
1 150 . 15 1 1 A 22 22 LYS H H 22 7.891 7.894 -0.003 1
1 151 . 15 1 1 A 22 22 LYS HA H 22 3.989 4.278 -0.289 1
1 160 . 15 1 1 A 22 22 LYS C C 22 173.452 174.992 -1.540 1
1 161 . 15 1 1 A 22 22 LYS CA C 22 57.789 54.701 3.088 1
1 162 . 15 1 1 A 22 22 LYS CB C 22 34.125 34.233 -0.108 1
1 166 . 15 1 1 A 22 22 LYS N N 22 122.877 119.433 3.444 1
1 167 . 15 1 1 A 23 23 ALA H H 23 7.645 8.665 -1.020 1
1 168 . 15 1 1 A 23 23 ALA HA H 23 4.925 5.295 -0.370 1
1 172 . 15 1 1 A 23 23 ALA C C 23 175.868 176.178 -0.310 1
1 173 . 15 1 1 A 23 23 ALA CA C 23 50.523 50.209 0.314 1
1 174 . 15 1 1 A 23 23 ALA CB C 23 22.145 20.773 1.372 1
1 175 . 15 1 1 A 23 23 ALA N N 23 122.280 128.243 -5.963 1
1 176 . 15 1 1 A 24 24 PHE H H 24 8.337 9.168 -0.831 1
1 177 . 15 1 1 A 24 24 PHE HA H 24 4.890 4.962 -0.072 1
1 185 . 15 1 1 A 24 24 PHE C C 24 175.994 175.972 0.022 1
1 186 . 15 1 1 A 24 24 PHE CA C 24 56.926 56.556 0.370 1
1 187 . 15 1 1 A 24 24 PHE CB C 24 43.626 41.682 1.944 1
1 193 . 15 1 1 A 24 24 PHE N N 24 116.352 119.670 -3.318 1
1 194 . 15 1 1 A 25 25 SER H H 25 9.344 8.849 0.495 1
1 195 . 15 1 1 A 25 25 SER HA H 25 4.612 4.335 0.277 1
1 198 . 15 1 1 A 25 25 SER C C 25 174.148 174.615 -0.467 1
1 199 . 15 1 1 A 25 25 SER CA C 25 60.554 60.660 -0.106 1
1 200 . 15 1 1 A 25 25 SER CB C 25 64.329 63.023 1.306 1
1 201 . 15 1 1 A 25 25 SER N N 25 115.148 118.939 -3.791 1
1 202 . 15 1 1 A 26 26 ARG H H 26 7.040 7.933 -0.893 1
1 203 . 15 1 1 A 26 26 ARG HA H 26 4.719 4.586 0.133 1
1 210 . 15 1 1 A 26 26 ARG C C 26 176.116 175.907 0.209 1
1 211 . 15 1 1 A 26 26 ARG CA C 26 54.417 54.345 0.072 1
1 212 . 15 1 1 A 26 26 ARG CB C 26 34.587 33.049 1.538 1
1 215 . 15 1 1 A 26 26 ARG N N 26 115.877 121.530 -5.653 1
1 216 . 15 1 1 A 27 27 SER H H 27 8.441 8.755 -0.314 1
1 217 . 15 1 1 A 27 27 SER HA H 27 3.278 3.909 -0.631 1
1 220 . 15 1 1 A 27 27 SER CA C 27 61.160 61.070 0.090 1
1 221 . 15 1 1 A 27 27 SER CB C 27 61.910 62.118 -0.208 1
1 222 . 15 1 1 A 27 27 SER N N 27 120.683 118.738 1.945 1
1 223 . 15 1 1 A 28 28 SER HA H 28 3.969 4.202 -0.233 1
1 226 . 15 1 1 A 28 28 SER C C 28 176.640 177.181 -0.541 1
1 227 . 15 1 1 A 28 28 SER CA C 28 61.029 61.598 -0.569 1
1 228 . 15 1 1 A 28 28 SER CB C 28 61.506 62.417 -0.911 1
1 229 . 15 1 1 A 29 29 ILE H H 29 6.628 7.788 -1.160 1
1 230 . 15 1 1 A 29 29 ILE HA H 29 3.725 3.607 0.118 1
1 240 . 15 1 1 A 29 29 ILE C C 29 178.108 177.260 0.848 1
1 241 . 15 1 1 A 29 29 ILE CA C 29 63.470 64.602 -1.132 1
1 242 . 15 1 1 A 29 29 ILE CB C 29 38.013 37.329 0.684 1
1 246 . 15 1 1 A 29 29 ILE N N 29 122.549 123.044 -0.495 1
1 247 . 15 1 1 A 30 30 LEU H H 30 7.003 7.986 -0.983 1
1 248 . 15 1 1 A 30 30 LEU HA H 30 3.511 3.185 0.326 1
1 258 . 15 1 1 A 30 30 LEU C C 30 177.880 178.409 -0.529 1
1 259 . 15 1 1 A 30 30 LEU CA C 30 58.394 57.985 0.409 1
1 260 . 15 1 1 A 30 30 LEU CB C 30 40.239 42.124 -1.885 1
1 264 . 15 1 1 A 30 30 LEU N N 30 122.518 121.822 0.696 1
1 265 . 15 1 1 A 31 31 VAL H H 31 8.203 8.014 0.189 1
1 266 . 15 1 1 A 31 31 VAL HA H 31 3.709 3.468 0.241 1
1 274 . 15 1 1 A 31 31 VAL C C 31 179.070 177.381 1.689 1
1 275 . 15 1 1 A 31 31 VAL CA C 31 66.618 66.952 -0.334 1
1 276 . 15 1 1 A 31 31 VAL CB C 31 31.624 31.372 0.252 1
1 279 . 15 1 1 A 31 31 VAL N N 31 118.600 119.645 -1.045 1
1 280 . 15 1 1 A 32 32 GLN H H 32 7.323 7.615 -0.292 1
1 281 . 15 1 1 A 32 32 GLN HA H 32 3.927 4.039 -0.112 1
1 288 . 15 1 1 A 32 32 GLN C C 32 178.751 176.912 1.839 1
1 289 . 15 1 1 A 32 32 GLN CA C 32 58.772 58.227 0.545 1
1 290 . 15 1 1 A 32 32 GLN CB C 32 28.368 29.000 -0.632 1
1 292 . 15 1 1 A 32 32 GLN N N 32 118.113 118.300 -0.187 1
1 294 . 15 1 1 A 33 33 HIS H H 33 8.046 8.047 -0.001 1
1 295 . 15 1 1 A 33 33 HIS HA H 33 4.148 4.310 -0.162 1
1 300 . 15 1 1 A 33 33 HIS C C 33 176.164 176.827 -0.663 1
1 301 . 15 1 1 A 33 33 HIS CA C 33 59.033 57.819 1.214 1
1 302 . 15 1 1 A 33 33 HIS CB C 33 27.726 30.346 -2.620 1
1 305 . 15 1 1 A 33 33 HIS N N 33 120.097 120.858 -0.761 1
1 306 . 15 1 1 A 34 34 GLN H H 34 8.348 7.796 0.552 1
1 307 . 15 1 1 A 34 34 GLN HA H 34 3.630 4.326 -0.696 1
1 314 . 15 1 1 A 34 34 GLN C C 34 177.457 178.846 -1.389 1
1 315 . 15 1 1 A 34 34 GLN CA C 34 59.367 57.433 1.934 1
1 316 . 15 1 1 A 34 34 GLN CB C 34 28.158 29.687 -1.529 1
1 318 . 15 1 1 A 34 34 GLN N N 34 115.621 117.830 -2.209 1
1 320 . 15 1 1 A 35 35 ARG H H 35 7.167 8.277 -1.110 1
1 321 . 15 1 1 A 35 35 ARG HA H 35 4.094 4.152 -0.058 1
1 328 . 15 1 1 A 35 35 ARG C C 35 178.544 176.468 2.076 1
1 329 . 15 1 1 A 35 35 ARG CA C 35 58.553 57.954 0.599 1
1 330 . 15 1 1 A 35 35 ARG CB C 35 30.016 29.209 0.807 1
1 333 . 15 1 1 A 35 35 ARG N N 35 117.694 119.280 -1.586 1
1 334 . 15 1 1 A 36 36 VAL H H 36 7.878 7.414 0.464 1
1 335 . 15 1 1 A 36 36 VAL HA H 36 3.885 4.254 -0.369 1
1 343 . 15 1 1 A 36 36 VAL C C 36 177.246 175.193 2.053 1
1 344 . 15 1 1 A 36 36 VAL CA C 36 63.924 61.261 2.663 1
1 345 . 15 1 1 A 36 36 VAL CB C 36 31.137 31.445 -0.308 1
1 348 . 15 1 1 A 36 36 VAL N N 36 116.056 116.320 -0.264 1
1 349 . 15 1 1 A 37 37 HIS H H 37 7.151 7.459 -0.308 1
1 350 . 15 1 1 A 37 37 HIS HA H 37 4.877 4.593 0.284 1
1 355 . 15 1 1 A 37 37 HIS C C 37 175.769 175.044 0.725 1
1 356 . 15 1 1 A 37 37 HIS CA C 37 55.034 57.159 -2.125 1
1 357 . 15 1 1 A 37 37 HIS CB C 37 28.415 31.529 -3.114 1
1 360 . 15 1 1 A 37 37 HIS N N 37 117.486 119.270 -1.784 1
1 361 . 15 1 1 A 38 38 THR H H 38 7.769 7.744 0.025 1
1 362 . 15 1 1 A 38 38 THR HA H 38 4.288 4.225 0.063 1
1 367 . 15 1 1 A 38 38 THR C C 38 175.391 174.658 0.733 1
1 368 . 15 1 1 A 38 38 THR CA C 38 62.697 62.958 -0.261 1
1 369 . 15 1 1 A 38 38 THR CB C 38 69.738 69.570 0.168 1
1 371 . 15 1 1 A 38 38 THR N N 38 112.779 112.986 -0.207 1
1 372 . 15 1 1 A 39 39 GLY H H 39 8.251 8.638 -0.387 1
1 373 . 15 1 1 A 39 39 GLY HA2 H 39 3.994 4.077 -0.083 1
1 374 . 15 1 1 A 39 39 GLY HA3 H 39 3.920 4.082 -0.162 1
1 375 . 15 1 1 A 39 39 GLY C C 39 174.076 174.588 -0.512 1
1 376 . 15 1 1 A 39 39 GLY CA C 39 45.288 46.306 -1.018 1
1 377 . 15 1 1 A 39 39 GLY N N 39 110.331 114.448 -4.117 1
1 378 . 15 1 1 A 40 40 GLU H H 40 8.076 8.301 -0.225 1
1 379 . 15 1 1 A 40 40 GLU HA H 40 4.139 4.551 -0.412 1
1 384 . 15 1 1 A 40 40 GLU C C 40 176.602 176.734 -0.132 1
1 385 . 15 1 1 A 40 40 GLU CA C 40 56.915 56.015 0.900 1
1 386 . 15 1 1 A 40 40 GLU CB C 40 30.414 31.366 -0.952 1
1 388 . 15 1 1 A 40 40 GLU N N 40 120.155 121.722 -1.567 1
1 389 . 15 1 1 A 41 41 LYS H H 41 8.274 7.763 0.511 1
1 390 . 15 1 1 A 41 41 LYS HA H 41 4.496 4.898 -0.402 1
1 399 . 15 1 1 A 41 41 LYS C C 41 173.906 176.191 -2.285 1
1 400 . 15 1 1 A 41 41 LYS CA C 41 53.865 53.645 0.220 1
1 401 . 15 1 1 A 41 41 LYS CB C 41 33.372 32.599 0.773 1
1 405 . 15 1 1 A 41 41 LYS N N 41 121.689 116.381 5.308 1
1 406 . 15 1 1 A 42 42 PRO HA H 42 4.253 4.344 -0.091 1
1 413 . 15 1 1 A 42 42 PRO C C 42 176.660 175.926 0.734 1
1 414 . 15 1 1 A 42 42 PRO CA C 42 63.718 64.891 -1.173 1
1 415 . 15 1 1 A 42 42 PRO CB C 42 32.320 31.753 0.567 1
1 418 . 15 1 1 A 43 43 TYR H H 43 7.693 7.426 0.267 1
1 419 . 15 1 1 A 43 43 TYR HA H 43 4.600 4.638 -0.038 1
1 426 . 15 1 1 A 43 43 TYR C C 43 174.460 175.103 -0.643 1
1 427 . 15 1 1 A 43 43 TYR CA C 43 57.722 58.622 -0.900 1
1 428 . 15 1 1 A 43 43 TYR CB C 43 37.840 38.563 -0.723 1
1 433 . 15 1 1 A 43 43 TYR N N 43 118.327 118.409 -0.082 1
1 434 . 15 1 1 A 44 44 LYS H H 44 8.335 8.851 -0.516 1
1 435 . 15 1 1 A 44 44 LYS HA H 44 4.826 5.410 -0.584 1
1 444 . 15 1 1 A 44 44 LYS C C 44 174.679 176.158 -1.479 1
1 445 . 15 1 1 A 44 44 LYS CA C 44 55.423 54.368 1.055 1
1 446 . 15 1 1 A 44 44 LYS CB C 44 35.380 35.359 0.021 1
1 450 . 15 1 1 A 44 44 LYS N N 44 125.187 126.126 -0.939 1
1 451 . 15 1 1 A 45 45 CYS H H 45 9.250 9.459 -0.209 1
1 452 . 15 1 1 A 45 45 CYS HA H 45 4.536 4.694 -0.158 1
1 455 . 15 1 1 A 45 45 CYS C C 45 177.400 175.005 2.395 1
1 456 . 15 1 1 A 45 45 CYS CA C 45 59.384 59.060 0.324 1
1 457 . 15 1 1 A 45 45 CYS CB C 45 29.482 28.970 0.512 1
1 458 . 15 1 1 A 45 45 CYS N N 45 126.431 124.320 2.111 1
1 459 . 15 1 1 A 46 46 LEU H H 46 9.297 8.652 0.645 1
1 460 . 15 1 1 A 46 46 LEU HA H 46 4.192 4.519 -0.327 1
1 470 . 15 1 1 A 46 46 LEU C C 46 177.806 177.758 0.048 1
1 471 . 15 1 1 A 46 46 LEU CA C 46 56.944 54.471 2.473 1
1 472 . 15 1 1 A 46 46 LEU CB C 46 41.269 42.325 -1.056 1
1 476 . 15 1 1 A 46 46 LEU N N 46 132.501 129.086 3.415 1
1 477 . 15 1 1 A 47 47 GLU H H 47 8.568 7.800 0.768 1
1 478 . 15 1 1 A 47 47 GLU HA H 47 4.161 4.147 0.014 1
1 483 . 15 1 1 A 47 47 GLU C C 47 177.358 177.993 -0.635 1
1 484 . 15 1 1 A 47 47 GLU CA C 47 58.545 58.995 -0.450 1
1 485 . 15 1 1 A 47 47 GLU CB C 47 29.500 30.435 -0.935 1
1 487 . 15 1 1 A 47 47 GLU N N 47 120.165 120.228 -0.063 1
1 488 . 15 1 1 A 48 48 CYS H H 48 7.979 7.571 0.408 1
1 489 . 15 1 1 A 48 48 CYS HA H 48 5.182 4.522 0.660 1
1 492 . 15 1 1 A 48 48 CYS C C 48 176.224 175.422 0.802 1
1 493 . 15 1 1 A 48 48 CYS CA C 48 58.210 59.494 -1.284 1
1 494 . 15 1 1 A 48 48 CYS CB C 48 32.531 29.820 2.711 1
1 495 . 15 1 1 A 48 48 CYS N N 48 114.531 114.666 -0.135 1
1 496 . 15 1 1 A 49 49 GLY H H 49 8.156 8.280 -0.124 1
1 497 . 15 1 1 A 49 49 GLY HA2 H 49 4.273 4.079 0.194 1
1 498 . 15 1 1 A 49 49 GLY HA3 H 49 3.771 4.110 -0.339 1
1 499 . 15 1 1 A 49 49 GLY C C 49 173.907 173.008 0.899 1
1 500 . 15 1 1 A 49 49 GLY CA C 49 46.207 45.158 1.049 1
1 501 . 15 1 1 A 49 49 GLY N N 49 113.613 109.592 4.021 1
1 502 . 15 1 1 A 50 50 LYS H H 50 7.961 8.497 -0.536 1
1 503 . 15 1 1 A 50 50 LYS HA H 50 3.936 4.692 -0.756 1
1 512 . 15 1 1 A 50 50 LYS C C 50 173.571 174.068 -0.497 1
1 513 . 15 1 1 A 50 50 LYS CA C 50 58.199 55.648 2.551 1
1 514 . 15 1 1 A 50 50 LYS CB C 50 33.479 36.312 -2.833 1
1 518 . 15 1 1 A 50 50 LYS N N 50 123.259 124.877 -1.618 1
1 519 . 15 1 1 A 51 51 ALA H H 51 7.740 8.479 -0.739 1
1 520 . 15 1 1 A 51 51 ALA HA H 51 5.179 5.780 -0.601 1
1 524 . 15 1 1 A 51 51 ALA C C 51 175.844 176.484 -0.640 1
1 525 . 15 1 1 A 51 51 ALA CA C 51 50.329 50.522 -0.193 1
1 526 . 15 1 1 A 51 51 ALA CB C 51 22.741 21.695 1.046 1
1 527 . 15 1 1 A 51 51 ALA N N 51 123.792 127.469 -3.677 1
1 528 . 15 1 1 A 52 52 PHE H H 52 8.698 9.074 -0.376 1
1 529 . 15 1 1 A 52 52 PHE HA H 52 4.653 4.873 -0.220 1
1 537 . 15 1 1 A 52 52 PHE C C 52 175.640 175.884 -0.244 1
1 538 . 15 1 1 A 52 52 PHE CA C 52 57.636 57.037 0.599 1
1 539 . 15 1 1 A 52 52 PHE CB C 52 43.314 43.267 0.047 1
1 545 . 15 1 1 A 52 52 PHE N N 52 116.792 118.312 -1.520 1
1 546 . 15 1 1 A 53 53 SER H H 53 9.246 8.851 0.395 1
1 547 . 15 1 1 A 53 53 SER HA H 53 4.627 5.188 -0.561 1
1 550 . 15 1 1 A 53 53 SER C C 53 173.837 173.271 0.566 1
1 551 . 15 1 1 A 53 53 SER CA C 53 60.959 58.762 2.197 1
1 552 . 15 1 1 A 53 53 SER CB C 53 64.077 63.846 0.231 1
1 553 . 15 1 1 A 53 53 SER N N 53 116.932 115.969 0.963 1
1 554 . 15 1 1 A 54 54 GLN H H 54 7.873 7.781 0.092 1
1 555 . 15 1 1 A 54 54 GLN HA H 54 4.774 4.577 0.197 1
1 562 . 15 1 1 A 54 54 GLN C C 54 176.112 175.582 0.530 1
1 563 . 15 1 1 A 54 54 GLN CA C 54 53.972 54.268 -0.296 1
1 564 . 15 1 1 A 54 54 GLN CB C 54 32.160 30.992 1.168 1
1 566 . 15 1 1 A 54 54 GLN N N 54 116.030 119.714 -3.684 1
1 568 . 15 1 1 A 55 55 ASN H H 55 8.494 8.767 -0.273 1
1 569 . 15 1 1 A 55 55 ASN HA H 55 3.540 3.810 -0.270 1
1 574 . 15 1 1 A 55 55 ASN C C 55 177.306 176.487 0.819 1
1 575 . 15 1 1 A 55 55 ASN CA C 55 56.094 56.611 -0.517 1
1 576 . 15 1 1 A 55 55 ASN CB C 55 38.260 38.075 0.185 1
1 577 . 15 1 1 A 55 55 ASN N N 55 124.248 125.074 -0.826 1
1 579 . 15 1 1 A 56 56 SER HA H 56 3.867 4.101 -0.234 1
1 582 . 15 1 1 A 56 56 SER C C 56 176.822 176.818 0.004 1
1 583 . 15 1 1 A 56 56 SER CA C 56 60.888 60.544 0.344 1
1 584 . 15 1 1 A 56 56 SER CB C 56 61.588 62.993 -1.405 1
1 585 . 15 1 1 A 57 57 GLY H H 57 7.104 8.620 -1.516 1
1 586 . 15 1 1 A 57 57 GLY HA2 H 57 3.893 3.711 0.182 1
1 587 . 15 1 1 A 57 57 GLY HA3 H 57 3.718 3.745 -0.027 1
1 588 . 15 1 1 A 57 57 GLY C C 57 175.641 175.342 0.299 1
1 589 . 15 1 1 A 57 57 GLY CA C 57 46.508 46.899 -0.391 1
1 590 . 15 1 1 A 57 57 GLY N N 57 109.816 106.949 2.867 1
1 591 . 15 1 1 A 58 58 LEU H H 58 6.781 7.846 -1.065 1
1 592 . 15 1 1 A 58 58 LEU HA H 58 3.288 2.593 0.695 1
1 602 . 15 1 1 A 58 58 LEU C C 58 177.650 177.992 -0.342 1
1 603 . 15 1 1 A 58 58 LEU CA C 58 57.726 56.461 1.265 1
1 604 . 15 1 1 A 58 58 LEU CB C 58 40.656 41.050 -0.394 1
1 608 . 15 1 1 A 58 58 LEU N N 58 124.058 122.065 1.993 1
1 609 . 15 1 1 A 59 59 ILE H H 59 8.281 7.794 0.487 1
1 610 . 15 1 1 A 59 59 ILE HA H 59 3.686 3.746 -0.060 1
1 620 . 15 1 1 A 59 59 ILE C C 59 179.220 177.703 1.517 1
1 621 . 15 1 1 A 59 59 ILE CA C 59 64.389 65.462 -1.073 1
1 622 . 15 1 1 A 59 59 ILE CB C 59 37.545 37.836 -0.291 1
1 626 . 15 1 1 A 59 59 ILE N N 59 119.575 119.847 -0.272 1
1 627 . 15 1 1 A 60 60 ASN H H 60 7.677 8.283 -0.606 1
1 628 . 15 1 1 A 60 60 ASN HA H 60 4.326 4.456 -0.130 1
1 633 . 15 1 1 A 60 60 ASN C C 60 177.688 177.121 0.567 1
1 634 . 15 1 1 A 60 60 ASN CA C 60 56.183 55.716 0.467 1
1 635 . 15 1 1 A 60 60 ASN CB C 60 38.549 38.857 -0.308 1
1 636 . 15 1 1 A 60 60 ASN N N 60 116.791 118.800 -2.009 1
1 638 . 15 1 1 A 61 61 HIS H H 61 7.526 7.399 0.127 1
1 639 . 15 1 1 A 61 61 HIS HA H 61 4.172 4.213 -0.041 1
1 643 . 15 1 1 A 61 61 HIS C C 61 176.063 176.374 -0.311 1
1 644 . 15 1 1 A 61 61 HIS CA C 61 58.924 57.720 1.204 1
1 645 . 15 1 1 A 61 61 HIS CB C 61 29.110 30.377 -1.267 1
1 647 . 15 1 1 A 61 61 HIS N N 61 119.310 118.895 0.415 1
1 648 . 15 1 1 A 62 62 GLN H H 62 8.345 8.044 0.301 1
1 649 . 15 1 1 A 62 62 GLN HA H 62 3.631 4.145 -0.514 1
1 656 . 15 1 1 A 62 62 GLN C C 62 177.302 178.492 -1.190 1
1 657 . 15 1 1 A 62 62 GLN CA C 62 59.260 56.887 2.373 1
1 658 . 15 1 1 A 62 62 GLN CB C 62 28.161 29.375 -1.214 1
1 660 . 15 1 1 A 62 62 GLN N N 62 115.573 117.550 -1.977 1
1 662 . 15 1 1 A 63 63 ARG H H 63 7.029 7.888 -0.859 1
1 663 . 15 1 1 A 63 63 ARG HA H 63 4.091 4.039 0.052 1
1 670 . 15 1 1 A 63 63 ARG C C 63 178.257 177.734 0.523 1
1 671 . 15 1 1 A 63 63 ARG CA C 63 58.505 58.508 -0.003 1
1 672 . 15 1 1 A 63 63 ARG CB C 63 30.046 29.436 0.610 1
1 675 . 15 1 1 A 63 63 ARG N N 63 117.521 118.773 -1.252 1
1 676 . 15 1 1 A 64 64 ILE H H 64 7.763 7.372 0.391 1
1 677 . 15 1 1 A 64 64 ILE HA H 64 3.988 3.700 0.288 1
1 687 . 15 1 1 A 64 64 ILE C C 64 177.138 177.858 -0.720 1
1 688 . 15 1 1 A 64 64 ILE CA C 64 62.780 64.224 -1.444 1
1 689 . 15 1 1 A 64 64 ILE CB C 64 37.760 37.190 0.570 1
1 693 . 15 1 1 A 64 64 ILE N N 64 115.601 116.038 -0.437 1
1 694 . 15 1 1 A 65 65 HIS H H 65 7.261 6.897 0.364 1
1 695 . 15 1 1 A 65 65 HIS HA H 65 4.867 4.332 0.535 1
1 700 . 15 1 1 A 65 65 HIS C C 65 175.314 176.649 -1.335 1
1 701 . 15 1 1 A 65 65 HIS CA C 65 54.927 59.134 -4.207 1
1 702 . 15 1 1 A 65 65 HIS CB C 65 28.723 29.818 -1.095 1
1 705 . 15 1 1 A 65 65 HIS N N 65 118.018 120.706 -2.688 1
1 706 . 15 1 1 A 66 66 THR H H 66 7.717 7.302 0.415 1
1 707 . 15 1 1 A 66 66 THR HA H 66 4.433 4.288 0.145 1
1 712 . 15 1 1 A 66 66 THR C C 66 174.569 173.817 0.752 1
1 713 . 15 1 1 A 66 66 THR CA C 66 61.984 60.607 1.377 1
1 714 . 15 1 1 A 66 66 THR CB C 66 69.832 67.509 2.323 1
1 716 . 15 1 1 A 66 66 THR N N 66 112.598 111.766 0.832 1
1 717 . 15 1 1 A 67 67 SER H H 67 8.272 8.484 -0.212 1
1 718 . 15 1 1 A 67 67 SER HA H 67 4.540 4.572 -0.032 1
1 721 . 15 1 1 A 67 67 SER C C 67 174.531 174.236 0.295 1
1 722 . 15 1 1 A 67 67 SER CA C 67 58.517 58.022 0.495 1
1 723 . 15 1 1 A 67 67 SER CB C 67 64.041 64.493 -0.452 1
1 724 . 15 1 1 A 67 67 SER N N 67 117.832 121.962 -4.130 1
1 725 . 15 1 1 A 68 68 GLY H H 68 8.223 8.240 -0.017 1
1 726 . 15 1 1 A 68 68 GLY HA2 H 68 4.153 4.225 -0.072 1
1 727 . 15 1 1 A 68 68 GLY HA3 H 68 4.101 4.228 -0.127 1
1 728 . 15 1 1 A 68 68 GLY C C 68 171.817 171.864 -0.047 1
1 729 . 15 1 1 A 68 68 GLY CA C 68 44.704 45.776 -1.072 1
1 730 . 15 1 1 A 68 68 GLY N N 68 110.671 108.147 2.524 1
1 731 . 15 1 1 A 69 69 PRO HA H 69 4.469 4.492 -0.023 1
1 738 . 15 1 1 A 69 69 PRO CA C 69 63.244 62.485 0.759 1
1 739 . 15 1 1 A 69 69 PRO CB C 69 32.208 33.103 -0.895 1
1 1 . 16 1 1 A 7 7 GLY HA2 H 7 3.957 4.122 -0.165 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.957 4.130 -0.173 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.124 174.149 -0.025 1
1 4 . 16 1 1 A 7 7 GLY CA C 7 45.359 45.466 -0.107 1
1 5 . 16 1 1 A 8 8 ILE H H 8 7.939 7.795 0.144 1
1 6 . 16 1 1 A 8 8 ILE HA H 8 4.106 4.179 -0.073 1
1 16 . 16 1 1 A 8 8 ILE C C 8 176.213 175.351 0.862 1
1 17 . 16 1 1 A 8 8 ILE CA C 8 61.378 59.458 1.920 1
1 18 . 16 1 1 A 8 8 ILE CB C 8 38.603 39.705 -1.102 1
1 22 . 16 1 1 A 8 8 ILE N N 8 119.652 115.145 4.507 1
1 23 . 16 1 1 A 9 9 HIS H H 9 8.409 8.571 -0.162 1
1 24 . 16 1 1 A 9 9 HIS C C 9 175.436 174.855 0.581 1
1 25 . 16 1 1 A 9 9 HIS CA C 9 56.065 55.062 1.003 1
1 26 . 16 1 1 A 9 9 HIS CB C 9 30.677 32.724 -2.047 1
1 27 . 16 1 1 A 9 9 HIS N N 9 123.607 119.385 4.222 1
1 28 . 16 1 1 A 10 10 SER HA H 10 4.484 4.349 0.135 1
1 31 . 16 1 1 A 10 10 SER C C 10 174.981 174.575 0.406 1
1 32 . 16 1 1 A 10 10 SER CA C 10 58.621 58.907 -0.286 1
1 33 . 16 1 1 A 10 10 SER CB C 10 63.732 63.094 0.638 1
1 34 . 16 1 1 A 11 11 GLY H H 11 8.447 8.807 -0.360 1
1 35 . 16 1 1 A 11 11 GLY HA2 H 11 3.936 4.072 -0.136 1
1 36 . 16 1 1 A 11 11 GLY HA3 H 11 3.936 4.086 -0.150 1
1 37 . 16 1 1 A 11 11 GLY C C 11 174.112 173.643 0.469 1
1 38 . 16 1 1 A 11 11 GLY CA C 11 45.292 45.371 -0.079 1
1 39 . 16 1 1 A 11 11 GLY N N 11 110.887 111.107 -0.220 1
1 40 . 16 1 1 A 12 12 GLU H H 12 8.200 8.853 -0.653 1
1 41 . 16 1 1 A 12 12 GLU HA H 12 4.174 4.676 -0.502 1
1 46 . 16 1 1 A 12 12 GLU C C 12 176.545 175.487 1.058 1
1 47 . 16 1 1 A 12 12 GLU CA C 12 56.962 55.765 1.197 1
1 48 . 16 1 1 A 12 12 GLU CB C 12 30.388 29.714 0.674 1
1 50 . 16 1 1 A 12 12 GLU N N 12 120.059 125.248 -5.189 1
1 51 . 16 1 1 A 13 13 LYS H H 13 8.280 7.293 0.987 1
1 52 . 16 1 1 A 13 13 LYS HA H 13 4.434 4.781 -0.347 1
1 61 . 16 1 1 A 13 13 LYS C C 13 173.760 175.894 -2.134 1
1 62 . 16 1 1 A 13 13 LYS CA C 13 53.742 52.775 0.967 1
1 63 . 16 1 1 A 13 13 LYS CB C 13 33.067 32.772 0.295 1
1 67 . 16 1 1 A 13 13 LYS N N 13 121.235 120.752 0.483 1
1 68 . 16 1 1 A 14 14 PRO HA H 14 4.268 4.532 -0.264 1
1 75 . 16 1 1 A 14 14 PRO C C 14 176.391 175.960 0.431 1
1 76 . 16 1 1 A 14 14 PRO CA C 14 63.473 64.220 -0.747 1
1 77 . 16 1 1 A 14 14 PRO CB C 14 32.243 31.779 0.464 1
1 80 . 16 1 1 A 15 15 TYR H H 15 7.898 7.192 0.706 1
1 81 . 16 1 1 A 15 15 TYR HA H 15 4.609 5.264 -0.655 1
1 88 . 16 1 1 A 15 15 TYR C C 15 175.259 175.195 0.064 1
1 89 . 16 1 1 A 15 15 TYR CA C 15 57.252 56.463 0.789 1
1 90 . 16 1 1 A 15 15 TYR CB C 15 37.800 40.883 -3.083 1
1 95 . 16 1 1 A 15 15 TYR N N 15 118.120 119.390 -1.270 1
1 96 . 16 1 1 A 16 16 GLY H H 16 8.420 8.906 -0.486 1
1 97 . 16 1 1 A 16 16 GLY HA2 H 16 4.634 4.328 0.306 1
1 98 . 16 1 1 A 16 16 GLY HA3 H 16 3.568 4.331 -0.763 1
1 99 . 16 1 1 A 16 16 GLY C C 16 172.667 172.561 0.106 1
1 100 . 16 1 1 A 16 16 GLY CA C 16 44.599 44.432 0.167 1
1 101 . 16 1 1 A 16 16 GLY N N 16 111.924 111.251 0.673 1
1 102 . 16 1 1 A 17 17 CYS H H 17 9.142 8.828 0.314 1
1 103 . 16 1 1 A 17 17 CYS HA H 17 4.712 4.827 -0.115 1
1 106 . 16 1 1 A 17 17 CYS C C 17 177.696 175.081 2.615 1
1 107 . 16 1 1 A 17 17 CYS CA C 17 58.694 58.906 -0.212 1
1 108 . 16 1 1 A 17 17 CYS CB C 17 29.770 28.875 0.895 1
1 109 . 16 1 1 A 17 17 CYS N N 17 125.008 121.071 3.937 1
1 110 . 16 1 1 A 18 18 VAL H H 18 9.089 8.773 0.316 1
1 111 . 16 1 1 A 18 18 VAL HA H 18 4.003 4.158 -0.155 1
1 119 . 16 1 1 A 18 18 VAL C C 18 176.506 177.907 -1.401 1
1 120 . 16 1 1 A 18 18 VAL CA C 18 64.407 64.093 0.314 1
1 121 . 16 1 1 A 18 18 VAL CB C 18 31.744 32.922 -1.178 1
1 124 . 16 1 1 A 18 18 VAL N N 18 129.598 125.178 4.420 1
1 125 . 16 1 1 A 19 19 GLU H H 19 8.413 8.114 0.299 1
1 126 . 16 1 1 A 19 19 GLU HA H 19 4.187 3.974 0.213 1
1 131 . 16 1 1 A 19 19 GLU C C 19 177.385 178.137 -0.752 1
1 132 . 16 1 1 A 19 19 GLU CA C 19 58.535 59.602 -1.067 1
1 133 . 16 1 1 A 19 19 GLU CB C 19 29.358 29.390 -0.032 1
1 135 . 16 1 1 A 19 19 GLU N N 19 121.264 121.972 -0.708 1
1 136 . 16 1 1 A 20 20 CYS H H 20 7.854 7.554 0.300 1
1 137 . 16 1 1 A 20 20 CYS HA H 20 5.142 4.780 0.362 1
1 140 . 16 1 1 A 20 20 CYS C C 20 176.237 175.646 0.591 1
1 141 . 16 1 1 A 20 20 CYS CA C 20 58.341 59.315 -0.974 1
1 142 . 16 1 1 A 20 20 CYS CB C 20 32.531 30.264 2.267 1
1 143 . 16 1 1 A 20 20 CYS N N 20 113.736 114.325 -0.589 1
1 144 . 16 1 1 A 21 21 GLY H H 21 8.281 8.019 0.262 1
1 145 . 16 1 1 A 21 21 GLY HA2 H 21 4.216 4.033 0.183 1
1 146 . 16 1 1 A 21 21 GLY HA3 H 21 3.784 4.049 -0.265 1
1 147 . 16 1 1 A 21 21 GLY C C 21 174.288 174.547 -0.259 1
1 148 . 16 1 1 A 21 21 GLY CA C 21 46.159 45.317 0.842 1
1 149 . 16 1 1 A 21 21 GLY N N 21 113.574 109.568 4.006 1
1 150 . 16 1 1 A 22 22 LYS H H 22 7.891 7.548 0.343 1
1 151 . 16 1 1 A 22 22 LYS HA H 22 3.989 3.950 0.039 1
1 160 . 16 1 1 A 22 22 LYS C C 22 173.452 175.737 -2.285 1
1 161 . 16 1 1 A 22 22 LYS CA C 22 57.789 56.743 1.046 1
1 162 . 16 1 1 A 22 22 LYS CB C 22 34.125 32.785 1.340 1
1 166 . 16 1 1 A 22 22 LYS N N 22 122.877 122.286 0.591 1
1 167 . 16 1 1 A 23 23 ALA H H 23 7.645 8.171 -0.526 1
1 168 . 16 1 1 A 23 23 ALA HA H 23 4.925 5.355 -0.430 1
1 172 . 16 1 1 A 23 23 ALA C C 23 175.868 176.014 -0.146 1
1 173 . 16 1 1 A 23 23 ALA CA C 23 50.523 50.299 0.224 1
1 174 . 16 1 1 A 23 23 ALA CB C 23 22.145 21.979 0.166 1
1 175 . 16 1 1 A 23 23 ALA N N 23 122.280 128.639 -6.359 1
1 176 . 16 1 1 A 24 24 PHE H H 24 8.337 9.079 -0.742 1
1 177 . 16 1 1 A 24 24 PHE HA H 24 4.890 4.932 -0.042 1
1 185 . 16 1 1 A 24 24 PHE C C 24 175.994 175.562 0.432 1
1 186 . 16 1 1 A 24 24 PHE CA C 24 56.926 56.761 0.165 1
1 187 . 16 1 1 A 24 24 PHE CB C 24 43.626 43.232 0.394 1
1 193 . 16 1 1 A 24 24 PHE N N 24 116.352 118.082 -1.730 1
1 194 . 16 1 1 A 25 25 SER H H 25 9.344 8.959 0.385 1
1 195 . 16 1 1 A 25 25 SER HA H 25 4.612 4.753 -0.141 1
1 198 . 16 1 1 A 25 25 SER C C 25 174.148 172.967 1.181 1
1 199 . 16 1 1 A 25 25 SER CA C 25 60.554 58.357 2.197 1
1 200 . 16 1 1 A 25 25 SER CB C 25 64.329 63.922 0.407 1
1 201 . 16 1 1 A 25 25 SER N N 25 115.148 115.775 -0.627 1
1 202 . 16 1 1 A 26 26 ARG H H 26 7.040 7.597 -0.557 1
1 203 . 16 1 1 A 26 26 ARG HA H 26 4.719 4.507 0.212 1
1 210 . 16 1 1 A 26 26 ARG C C 26 176.116 176.246 -0.130 1
1 211 . 16 1 1 A 26 26 ARG CA C 26 54.417 53.852 0.565 1
1 212 . 16 1 1 A 26 26 ARG CB C 26 34.587 32.942 1.645 1
1 215 . 16 1 1 A 26 26 ARG N N 26 115.877 120.575 -4.698 1
1 216 . 16 1 1 A 27 27 SER H H 27 8.441 8.772 -0.331 1
1 217 . 16 1 1 A 27 27 SER HA H 27 3.278 3.766 -0.488 1
1 220 . 16 1 1 A 27 27 SER CA C 27 61.160 61.512 -0.352 1
1 221 . 16 1 1 A 27 27 SER CB C 27 61.910 62.411 -0.501 1
1 222 . 16 1 1 A 27 27 SER N N 27 120.683 119.844 0.839 1
1 223 . 16 1 1 A 28 28 SER HA H 28 3.969 4.012 -0.043 1
1 226 . 16 1 1 A 28 28 SER C C 28 176.640 177.120 -0.480 1
1 227 . 16 1 1 A 28 28 SER CA C 28 61.029 61.743 -0.714 1
1 228 . 16 1 1 A 28 28 SER CB C 28 61.506 63.004 -1.498 1
1 229 . 16 1 1 A 29 29 ILE H H 29 6.628 7.816 -1.188 1
1 230 . 16 1 1 A 29 29 ILE HA H 29 3.725 3.494 0.231 1
1 240 . 16 1 1 A 29 29 ILE C C 29 178.108 177.544 0.564 1
1 241 . 16 1 1 A 29 29 ILE CA C 29 63.470 64.982 -1.512 1
1 242 . 16 1 1 A 29 29 ILE CB C 29 38.013 37.694 0.319 1
1 246 . 16 1 1 A 29 29 ILE N N 29 122.549 120.741 1.808 1
1 247 . 16 1 1 A 30 30 LEU H H 30 7.003 7.992 -0.989 1
1 248 . 16 1 1 A 30 30 LEU HA H 30 3.511 3.248 0.263 1
1 258 . 16 1 1 A 30 30 LEU C C 30 177.880 178.645 -0.765 1
1 259 . 16 1 1 A 30 30 LEU CA C 30 58.394 58.170 0.224 1
1 260 . 16 1 1 A 30 30 LEU CB C 30 40.239 41.831 -1.592 1
1 264 . 16 1 1 A 30 30 LEU N N 30 122.518 121.217 1.301 1
1 265 . 16 1 1 A 31 31 VAL H H 31 8.203 8.016 0.187 1
1 266 . 16 1 1 A 31 31 VAL HA H 31 3.709 3.516 0.193 1
1 274 . 16 1 1 A 31 31 VAL C C 31 179.070 177.471 1.599 1
1 275 . 16 1 1 A 31 31 VAL CA C 31 66.618 66.755 -0.137 1
1 276 . 16 1 1 A 31 31 VAL CB C 31 31.624 31.492 0.132 1
1 279 . 16 1 1 A 31 31 VAL N N 31 118.600 119.584 -0.984 1
1 280 . 16 1 1 A 32 32 GLN H H 32 7.323 7.593 -0.270 1
1 281 . 16 1 1 A 32 32 GLN HA H 32 3.927 3.972 -0.045 1
1 288 . 16 1 1 A 32 32 GLN C C 32 178.751 178.914 -0.163 1
1 289 . 16 1 1 A 32 32 GLN CA C 32 58.772 59.026 -0.254 1
1 290 . 16 1 1 A 32 32 GLN CB C 32 28.368 28.395 -0.027 1
1 292 . 16 1 1 A 32 32 GLN N N 32 118.113 118.577 -0.464 1
1 294 . 16 1 1 A 33 33 HIS H H 33 8.046 7.743 0.303 1
1 295 . 16 1 1 A 33 33 HIS HA H 33 4.148 4.176 -0.028 1
1 300 . 16 1 1 A 33 33 HIS C C 33 176.164 176.462 -0.298 1
1 301 . 16 1 1 A 33 33 HIS CA C 33 59.033 58.561 0.472 1
1 302 . 16 1 1 A 33 33 HIS CB C 33 27.726 30.328 -2.602 1
1 305 . 16 1 1 A 33 33 HIS N N 33 120.097 120.598 -0.501 1
1 306 . 16 1 1 A 34 34 GLN H H 34 8.348 7.566 0.782 1
1 307 . 16 1 1 A 34 34 GLN HA H 34 3.630 4.168 -0.538 1
1 314 . 16 1 1 A 34 34 GLN C C 34 177.457 177.716 -0.259 1
1 315 . 16 1 1 A 34 34 GLN CA C 34 59.367 56.987 2.380 1
1 316 . 16 1 1 A 34 34 GLN CB C 34 28.158 29.117 -0.959 1
1 318 . 16 1 1 A 34 34 GLN N N 34 115.621 117.679 -2.058 1
1 320 . 16 1 1 A 35 35 ARG H H 35 7.167 7.786 -0.619 1
1 321 . 16 1 1 A 35 35 ARG HA H 35 4.094 4.065 0.029 1
1 328 . 16 1 1 A 35 35 ARG C C 35 178.544 178.975 -0.431 1
1 329 . 16 1 1 A 35 35 ARG CA C 35 58.553 59.025 -0.472 1
1 330 . 16 1 1 A 35 35 ARG CB C 35 30.016 30.700 -0.684 1
1 333 . 16 1 1 A 35 35 ARG N N 35 117.694 120.057 -2.363 1
1 334 . 16 1 1 A 36 36 VAL H H 36 7.878 7.390 0.488 1
1 335 . 16 1 1 A 36 36 VAL HA H 36 3.885 3.775 0.110 1
1 343 . 16 1 1 A 36 36 VAL C C 36 177.246 178.013 -0.767 1
1 344 . 16 1 1 A 36 36 VAL CA C 36 63.924 65.742 -1.818 1
1 345 . 16 1 1 A 36 36 VAL CB C 36 31.137 31.405 -0.268 1
1 348 . 16 1 1 A 36 36 VAL N N 36 116.056 117.486 -1.430 1
1 349 . 16 1 1 A 37 37 HIS H H 37 7.151 8.045 -0.894 1
1 350 . 16 1 1 A 37 37 HIS HA H 37 4.877 4.384 0.493 1
1 355 . 16 1 1 A 37 37 HIS C C 37 175.769 176.291 -0.522 1
1 356 . 16 1 1 A 37 37 HIS CA C 37 55.034 58.819 -3.785 1
1 357 . 16 1 1 A 37 37 HIS CB C 37 28.415 29.676 -1.261 1
1 360 . 16 1 1 A 37 37 HIS N N 37 117.486 120.246 -2.760 1
1 361 . 16 1 1 A 38 38 THR H H 38 7.769 7.720 0.049 1
1 362 . 16 1 1 A 38 38 THR HA H 38 4.288 3.885 0.403 1
1 367 . 16 1 1 A 38 38 THR C C 38 175.391 174.161 1.230 1
1 368 . 16 1 1 A 38 38 THR CA C 38 62.697 63.747 -1.050 1
1 369 . 16 1 1 A 38 38 THR CB C 38 69.738 68.797 0.941 1
1 371 . 16 1 1 A 38 38 THR N N 38 112.779 114.522 -1.743 1
1 372 . 16 1 1 A 39 39 GLY H H 39 8.251 8.585 -0.334 1
1 373 . 16 1 1 A 39 39 GLY HA2 H 39 3.994 4.172 -0.178 1
1 374 . 16 1 1 A 39 39 GLY HA3 H 39 3.920 4.178 -0.258 1
1 375 . 16 1 1 A 39 39 GLY C C 39 174.076 173.634 0.442 1
1 376 . 16 1 1 A 39 39 GLY CA C 39 45.288 43.864 1.424 1
1 377 . 16 1 1 A 39 39 GLY N N 39 110.331 113.910 -3.579 1
1 378 . 16 1 1 A 40 40 GLU H H 40 8.076 8.794 -0.718 1
1 379 . 16 1 1 A 40 40 GLU HA H 40 4.139 3.799 0.340 1
1 384 . 16 1 1 A 40 40 GLU C C 40 176.602 175.909 0.693 1
1 385 . 16 1 1 A 40 40 GLU CA C 40 56.915 57.385 -0.470 1
1 386 . 16 1 1 A 40 40 GLU CB C 40 30.414 27.843 2.571 1
1 388 . 16 1 1 A 40 40 GLU N N 40 120.155 118.508 1.647 1
1 389 . 16 1 1 A 41 41 LYS H H 41 8.274 8.218 0.056 1
1 390 . 16 1 1 A 41 41 LYS HA H 41 4.496 5.026 -0.530 1
1 399 . 16 1 1 A 41 41 LYS C C 41 173.906 174.966 -1.060 1
1 400 . 16 1 1 A 41 41 LYS CA C 41 53.865 53.960 -0.095 1
1 401 . 16 1 1 A 41 41 LYS CB C 41 33.372 32.948 0.424 1
1 405 . 16 1 1 A 41 41 LYS N N 41 121.689 118.667 3.022 1
1 406 . 16 1 1 A 42 42 PRO HA H 42 4.253 4.482 -0.229 1
1 413 . 16 1 1 A 42 42 PRO C C 42 176.660 175.792 0.868 1
1 414 . 16 1 1 A 42 42 PRO CA C 42 63.718 64.526 -0.808 1
1 415 . 16 1 1 A 42 42 PRO CB C 42 32.320 31.546 0.774 1
1 418 . 16 1 1 A 43 43 TYR H H 43 7.693 7.708 -0.015 1
1 419 . 16 1 1 A 43 43 TYR HA H 43 4.600 4.794 -0.194 1
1 426 . 16 1 1 A 43 43 TYR C C 43 174.460 174.940 -0.480 1
1 427 . 16 1 1 A 43 43 TYR CA C 43 57.722 57.185 0.537 1
1 428 . 16 1 1 A 43 43 TYR CB C 43 37.840 38.253 -0.413 1
1 433 . 16 1 1 A 43 43 TYR N N 43 118.327 118.090 0.237 1
1 434 . 16 1 1 A 44 44 LYS H H 44 8.335 8.868 -0.533 1
1 435 . 16 1 1 A 44 44 LYS HA H 44 4.826 5.578 -0.752 1
1 444 . 16 1 1 A 44 44 LYS C C 44 174.679 175.677 -0.998 1
1 445 . 16 1 1 A 44 44 LYS CA C 44 55.423 54.508 0.915 1
1 446 . 16 1 1 A 44 44 LYS CB C 44 35.380 35.282 0.098 1
1 450 . 16 1 1 A 44 44 LYS N N 44 125.187 125.940 -0.753 1
1 451 . 16 1 1 A 45 45 CYS H H 45 9.250 9.152 0.098 1
1 452 . 16 1 1 A 45 45 CYS HA H 45 4.536 4.853 -0.317 1
1 455 . 16 1 1 A 45 45 CYS C C 45 177.400 175.430 1.970 1
1 456 . 16 1 1 A 45 45 CYS CA C 45 59.384 58.054 1.330 1
1 457 . 16 1 1 A 45 45 CYS CB C 45 29.482 29.904 -0.422 1
1 458 . 16 1 1 A 45 45 CYS N N 45 126.431 124.063 2.368 1
1 459 . 16 1 1 A 46 46 LEU H H 46 9.297 8.634 0.663 1
1 460 . 16 1 1 A 46 46 LEU HA H 46 4.192 4.407 -0.215 1
1 470 . 16 1 1 A 46 46 LEU C C 46 177.806 178.174 -0.368 1
1 471 . 16 1 1 A 46 46 LEU CA C 46 56.944 54.873 2.071 1
1 472 . 16 1 1 A 46 46 LEU CB C 46 41.269 42.354 -1.085 1
1 476 . 16 1 1 A 46 46 LEU N N 46 132.501 129.620 2.881 1
1 477 . 16 1 1 A 47 47 GLU H H 47 8.568 7.725 0.843 1
1 478 . 16 1 1 A 47 47 GLU HA H 47 4.161 4.096 0.065 1
1 483 . 16 1 1 A 47 47 GLU C C 47 177.358 177.952 -0.594 1
1 484 . 16 1 1 A 47 47 GLU CA C 47 58.545 59.050 -0.505 1
1 485 . 16 1 1 A 47 47 GLU CB C 47 29.500 29.820 -0.320 1
1 487 . 16 1 1 A 47 47 GLU N N 47 120.165 120.571 -0.406 1
1 488 . 16 1 1 A 48 48 CYS H H 48 7.979 7.363 0.616 1
1 489 . 16 1 1 A 48 48 CYS HA H 48 5.182 4.546 0.636 1
1 492 . 16 1 1 A 48 48 CYS C C 48 176.224 175.378 0.846 1
1 493 . 16 1 1 A 48 48 CYS CA C 48 58.210 59.603 -1.393 1
1 494 . 16 1 1 A 48 48 CYS CB C 48 32.531 29.556 2.975 1
1 495 . 16 1 1 A 48 48 CYS N N 48 114.531 115.655 -1.124 1
1 496 . 16 1 1 A 49 49 GLY H H 49 8.156 8.069 0.087 1
1 497 . 16 1 1 A 49 49 GLY HA2 H 49 4.273 4.089 0.184 1
1 498 . 16 1 1 A 49 49 GLY HA3 H 49 3.771 4.121 -0.350 1
1 499 . 16 1 1 A 49 49 GLY C C 49 173.907 172.680 1.227 1
1 500 . 16 1 1 A 49 49 GLY CA C 49 46.207 44.937 1.270 1
1 501 . 16 1 1 A 49 49 GLY N N 49 113.613 109.130 4.483 1
1 502 . 16 1 1 A 50 50 LYS H H 50 7.961 8.737 -0.776 1
1 503 . 16 1 1 A 50 50 LYS HA H 50 3.936 4.721 -0.785 1
1 512 . 16 1 1 A 50 50 LYS C C 50 173.571 173.927 -0.356 1
1 513 . 16 1 1 A 50 50 LYS CA C 50 58.199 55.664 2.535 1
1 514 . 16 1 1 A 50 50 LYS CB C 50 33.479 36.252 -2.773 1
1 518 . 16 1 1 A 50 50 LYS N N 50 123.259 125.213 -1.954 1
1 519 . 16 1 1 A 51 51 ALA H H 51 7.740 8.507 -0.767 1
1 520 . 16 1 1 A 51 51 ALA HA H 51 5.179 5.498 -0.319 1
1 524 . 16 1 1 A 51 51 ALA C C 51 175.844 176.504 -0.660 1
1 525 . 16 1 1 A 51 51 ALA CA C 51 50.329 50.751 -0.422 1
1 526 . 16 1 1 A 51 51 ALA CB C 51 22.741 21.374 1.367 1
1 527 . 16 1 1 A 51 51 ALA N N 51 123.792 127.451 -3.659 1
1 528 . 16 1 1 A 52 52 PHE H H 52 8.698 9.039 -0.341 1
1 529 . 16 1 1 A 52 52 PHE HA H 52 4.653 4.907 -0.254 1
1 537 . 16 1 1 A 52 52 PHE C C 52 175.640 175.503 0.137 1
1 538 . 16 1 1 A 52 52 PHE CA C 52 57.636 56.914 0.722 1
1 539 . 16 1 1 A 52 52 PHE CB C 52 43.314 43.084 0.230 1
1 545 . 16 1 1 A 52 52 PHE N N 52 116.792 118.401 -1.609 1
1 546 . 16 1 1 A 53 53 SER H H 53 9.246 8.849 0.397 1
1 547 . 16 1 1 A 53 53 SER HA H 53 4.627 5.093 -0.466 1
1 550 . 16 1 1 A 53 53 SER C C 53 173.837 174.179 -0.342 1
1 551 . 16 1 1 A 53 53 SER CA C 53 60.959 58.698 2.261 1
1 552 . 16 1 1 A 53 53 SER CB C 53 64.077 63.821 0.256 1
1 553 . 16 1 1 A 53 53 SER N N 53 116.932 119.875 -2.943 1
1 554 . 16 1 1 A 54 54 GLN H H 54 7.873 7.758 0.115 1
1 555 . 16 1 1 A 54 54 GLN HA H 54 4.774 4.617 0.157 1
1 562 . 16 1 1 A 54 54 GLN C C 54 176.112 175.797 0.315 1
1 563 . 16 1 1 A 54 54 GLN CA C 54 53.972 54.449 -0.477 1
1 564 . 16 1 1 A 54 54 GLN CB C 54 32.160 30.599 1.561 1
1 566 . 16 1 1 A 54 54 GLN N N 54 116.030 119.905 -3.875 1
1 568 . 16 1 1 A 55 55 ASN H H 55 8.494 8.671 -0.177 1
1 569 . 16 1 1 A 55 55 ASN HA H 55 3.540 3.731 -0.191 1
1 574 . 16 1 1 A 55 55 ASN C C 55 177.306 176.789 0.517 1
1 575 . 16 1 1 A 55 55 ASN CA C 55 56.094 56.607 -0.513 1
1 576 . 16 1 1 A 55 55 ASN CB C 55 38.260 38.064 0.196 1
1 577 . 16 1 1 A 55 55 ASN N N 55 124.248 124.804 -0.556 1
1 579 . 16 1 1 A 56 56 SER HA H 56 3.867 4.099 -0.232 1
1 582 . 16 1 1 A 56 56 SER C C 56 176.822 177.123 -0.301 1
1 583 . 16 1 1 A 56 56 SER CA C 56 60.888 62.296 -1.408 1
1 584 . 16 1 1 A 56 56 SER CB C 56 61.588 62.692 -1.104 1
1 585 . 16 1 1 A 57 57 GLY H H 57 7.104 8.594 -1.490 1
1 586 . 16 1 1 A 57 57 GLY HA2 H 57 3.893 3.655 0.238 1
1 587 . 16 1 1 A 57 57 GLY HA3 H 57 3.718 3.691 0.027 1
1 588 . 16 1 1 A 57 57 GLY C C 57 175.641 175.327 0.314 1
1 589 . 16 1 1 A 57 57 GLY CA C 57 46.508 46.953 -0.445 1
1 590 . 16 1 1 A 57 57 GLY N N 57 109.816 109.737 0.079 1
1 591 . 16 1 1 A 58 58 LEU H H 58 6.781 7.957 -1.176 1
1 592 . 16 1 1 A 58 58 LEU HA H 58 3.288 2.719 0.569 1
1 602 . 16 1 1 A 58 58 LEU C C 58 177.650 177.989 -0.339 1
1 603 . 16 1 1 A 58 58 LEU CA C 58 57.726 56.714 1.012 1
1 604 . 16 1 1 A 58 58 LEU CB C 58 40.656 41.062 -0.406 1
1 608 . 16 1 1 A 58 58 LEU N N 58 124.058 121.965 2.093 1
1 609 . 16 1 1 A 59 59 ILE H H 59 8.281 7.882 0.399 1
1 610 . 16 1 1 A 59 59 ILE HA H 59 3.686 3.733 -0.047 1
1 620 . 16 1 1 A 59 59 ILE C C 59 179.220 177.754 1.466 1
1 621 . 16 1 1 A 59 59 ILE CA C 59 64.389 65.736 -1.347 1
1 622 . 16 1 1 A 59 59 ILE CB C 59 37.545 37.899 -0.354 1
1 626 . 16 1 1 A 59 59 ILE N N 59 119.575 120.299 -0.724 1
1 627 . 16 1 1 A 60 60 ASN H H 60 7.677 7.692 -0.015 1
1 628 . 16 1 1 A 60 60 ASN HA H 60 4.326 4.360 -0.034 1
1 633 . 16 1 1 A 60 60 ASN C C 60 177.688 177.222 0.466 1
1 634 . 16 1 1 A 60 60 ASN CA C 60 56.183 56.022 0.161 1
1 635 . 16 1 1 A 60 60 ASN CB C 60 38.549 39.025 -0.476 1
1 636 . 16 1 1 A 60 60 ASN N N 60 116.791 118.727 -1.936 1
1 638 . 16 1 1 A 61 61 HIS H H 61 7.526 7.607 -0.081 1
1 639 . 16 1 1 A 61 61 HIS HA H 61 4.172 4.182 -0.010 1
1 643 . 16 1 1 A 61 61 HIS C C 61 176.063 176.333 -0.270 1
1 644 . 16 1 1 A 61 61 HIS CA C 61 58.924 57.733 1.191 1
1 645 . 16 1 1 A 61 61 HIS CB C 61 29.110 30.277 -1.167 1
1 647 . 16 1 1 A 61 61 HIS N N 61 119.310 118.930 0.380 1
1 648 . 16 1 1 A 62 62 GLN H H 62 8.345 7.730 0.615 1
1 649 . 16 1 1 A 62 62 GLN HA H 62 3.631 4.236 -0.605 1
1 656 . 16 1 1 A 62 62 GLN C C 62 177.302 178.391 -1.089 1
1 657 . 16 1 1 A 62 62 GLN CA C 62 59.260 56.647 2.613 1
1 658 . 16 1 1 A 62 62 GLN CB C 62 28.161 29.389 -1.228 1
1 660 . 16 1 1 A 62 62 GLN N N 62 115.573 117.474 -1.901 1
1 662 . 16 1 1 A 63 63 ARG H H 63 7.029 7.857 -0.828 1
1 663 . 16 1 1 A 63 63 ARG HA H 63 4.091 4.018 0.073 1
1 670 . 16 1 1 A 63 63 ARG C C 63 178.257 177.793 0.464 1
1 671 . 16 1 1 A 63 63 ARG CA C 63 58.505 58.653 -0.148 1
1 672 . 16 1 1 A 63 63 ARG CB C 63 30.046 29.536 0.510 1
1 675 . 16 1 1 A 63 63 ARG N N 63 117.521 118.688 -1.167 1
1 676 . 16 1 1 A 64 64 ILE H H 64 7.763 7.437 0.326 1
1 677 . 16 1 1 A 64 64 ILE HA H 64 3.988 3.746 0.242 1
1 687 . 16 1 1 A 64 64 ILE C C 64 177.138 177.654 -0.516 1
1 688 . 16 1 1 A 64 64 ILE CA C 64 62.780 64.146 -1.366 1
1 689 . 16 1 1 A 64 64 ILE CB C 64 37.760 37.316 0.444 1
1 693 . 16 1 1 A 64 64 ILE N N 64 115.601 116.281 -0.680 1
1 694 . 16 1 1 A 65 65 HIS H H 65 7.261 7.316 -0.055 1
1 695 . 16 1 1 A 65 65 HIS HA H 65 4.867 4.294 0.573 1
1 700 . 16 1 1 A 65 65 HIS C C 65 175.314 177.784 -2.470 1
1 701 . 16 1 1 A 65 65 HIS CA C 65 54.927 59.288 -4.361 1
1 702 . 16 1 1 A 65 65 HIS CB C 65 28.723 29.839 -1.116 1
1 705 . 16 1 1 A 65 65 HIS N N 65 118.018 121.327 -3.309 1
1 706 . 16 1 1 A 66 66 THR H H 66 7.717 7.829 -0.112 1
1 707 . 16 1 1 A 66 66 THR HA H 66 4.433 3.819 0.614 1
1 712 . 16 1 1 A 66 66 THR C C 66 174.569 176.298 -1.729 1
1 713 . 16 1 1 A 66 66 THR CA C 66 61.984 64.920 -2.936 1
1 714 . 16 1 1 A 66 66 THR CB C 66 69.832 68.793 1.039 1
1 716 . 16 1 1 A 66 66 THR N N 66 112.598 113.078 -0.480 1
1 717 . 16 1 1 A 67 67 SER H H 67 8.272 8.375 -0.103 1
1 718 . 16 1 1 A 67 67 SER HA H 67 4.540 4.155 0.385 1
1 721 . 16 1 1 A 67 67 SER C C 67 174.531 175.944 -1.413 1
1 722 . 16 1 1 A 67 67 SER CA C 67 58.517 61.520 -3.003 1
1 723 . 16 1 1 A 67 67 SER CB C 67 64.041 62.886 1.155 1
1 724 . 16 1 1 A 67 67 SER N N 67 117.832 116.067 1.765 1
1 725 . 16 1 1 A 68 68 GLY H H 68 8.223 7.671 0.552 1
1 726 . 16 1 1 A 68 68 GLY HA2 H 68 4.153 3.960 0.193 1
1 727 . 16 1 1 A 68 68 GLY HA3 H 68 4.101 3.967 0.134 1
1 728 . 16 1 1 A 68 68 GLY C C 68 171.817 173.130 -1.313 1
1 729 . 16 1 1 A 68 68 GLY CA C 68 44.704 45.154 -0.450 1
1 730 . 16 1 1 A 68 68 GLY N N 68 110.671 108.994 1.677 1
1 731 . 16 1 1 A 69 69 PRO HA H 69 4.469 4.750 -0.281 1
1 738 . 16 1 1 A 69 69 PRO CA C 69 63.244 62.928 0.316 1
1 739 . 16 1 1 A 69 69 PRO CB C 69 32.208 31.750 0.458 1
1 1 . 17 1 1 A 7 7 GLY HA2 H 7 3.957 4.388 -0.431 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.957 4.427 -0.470 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.124 174.357 -0.233 1
1 4 . 17 1 1 A 7 7 GLY CA C 7 45.359 45.041 0.318 1
1 5 . 17 1 1 A 8 8 ILE H H 8 7.939 8.861 -0.922 1
1 6 . 17 1 1 A 8 8 ILE HA H 8 4.106 3.849 0.257 1
1 16 . 17 1 1 A 8 8 ILE C C 8 176.213 176.094 0.119 1
1 17 . 17 1 1 A 8 8 ILE CA C 8 61.378 63.481 -2.103 1
1 18 . 17 1 1 A 8 8 ILE CB C 8 38.603 37.787 0.816 1
1 22 . 17 1 1 A 8 8 ILE N N 8 119.652 126.282 -6.630 1
1 23 . 17 1 1 A 9 9 HIS H H 9 8.409 8.088 0.321 1
1 24 . 17 1 1 A 9 9 HIS C C 9 175.436 174.879 0.557 1
1 25 . 17 1 1 A 9 9 HIS CA C 9 56.065 56.692 -0.627 1
1 26 . 17 1 1 A 9 9 HIS CB C 9 30.677 27.260 3.417 1
1 27 . 17 1 1 A 9 9 HIS N N 9 123.607 120.096 3.511 1
1 28 . 17 1 1 A 10 10 SER HA H 10 4.484 4.792 -0.308 1
1 31 . 17 1 1 A 10 10 SER C C 10 174.981 173.571 1.410 1
1 32 . 17 1 1 A 10 10 SER CA C 10 58.621 56.971 1.650 1
1 33 . 17 1 1 A 10 10 SER CB C 10 63.732 64.366 -0.634 1
1 34 . 17 1 1 A 11 11 GLY H H 11 8.447 8.528 -0.081 1
1 35 . 17 1 1 A 11 11 GLY HA2 H 11 3.936 4.181 -0.245 1
1 36 . 17 1 1 A 11 11 GLY HA3 H 11 3.936 4.190 -0.254 1
1 37 . 17 1 1 A 11 11 GLY C C 11 174.112 174.602 -0.490 1
1 38 . 17 1 1 A 11 11 GLY CA C 11 45.292 45.442 -0.150 1
1 39 . 17 1 1 A 11 11 GLY N N 11 110.887 113.122 -2.235 1
1 40 . 17 1 1 A 12 12 GLU H H 12 8.200 8.795 -0.595 1
1 41 . 17 1 1 A 12 12 GLU HA H 12 4.174 4.222 -0.048 1
1 46 . 17 1 1 A 12 12 GLU C C 12 176.545 177.160 -0.615 1
1 47 . 17 1 1 A 12 12 GLU CA C 12 56.962 59.165 -2.203 1
1 48 . 17 1 1 A 12 12 GLU CB C 12 30.388 29.526 0.862 1
1 50 . 17 1 1 A 12 12 GLU N N 12 120.059 121.716 -1.657 1
1 51 . 17 1 1 A 13 13 LYS H H 13 8.280 7.628 0.652 1
1 52 . 17 1 1 A 13 13 LYS HA H 13 4.434 4.389 0.045 1
1 61 . 17 1 1 A 13 13 LYS C C 13 173.760 176.729 -2.969 1
1 62 . 17 1 1 A 13 13 LYS CA C 13 53.742 55.147 -1.405 1
1 63 . 17 1 1 A 13 13 LYS CB C 13 33.067 32.401 0.666 1
1 67 . 17 1 1 A 13 13 LYS N N 13 121.235 119.957 1.278 1
1 68 . 17 1 1 A 14 14 PRO HA H 14 4.268 4.496 -0.228 1
1 75 . 17 1 1 A 14 14 PRO C C 14 176.391 175.873 0.518 1
1 76 . 17 1 1 A 14 14 PRO CA C 14 63.473 64.281 -0.808 1
1 77 . 17 1 1 A 14 14 PRO CB C 14 32.243 31.636 0.607 1
1 80 . 17 1 1 A 15 15 TYR H H 15 7.898 7.619 0.279 1
1 81 . 17 1 1 A 15 15 TYR HA H 15 4.609 5.001 -0.392 1
1 88 . 17 1 1 A 15 15 TYR C C 15 175.259 174.858 0.401 1
1 89 . 17 1 1 A 15 15 TYR CA C 15 57.252 56.042 1.210 1
1 90 . 17 1 1 A 15 15 TYR CB C 15 37.800 39.787 -1.987 1
1 95 . 17 1 1 A 15 15 TYR N N 15 118.120 119.045 -0.925 1
1 96 . 17 1 1 A 16 16 GLY H H 16 8.420 9.006 -0.586 1
1 97 . 17 1 1 A 16 16 GLY HA2 H 16 4.634 4.262 0.372 1
1 98 . 17 1 1 A 16 16 GLY HA3 H 16 3.568 4.272 -0.704 1
1 99 . 17 1 1 A 16 16 GLY C C 16 172.667 172.438 0.229 1
1 100 . 17 1 1 A 16 16 GLY CA C 16 44.599 44.449 0.150 1
1 101 . 17 1 1 A 16 16 GLY N N 16 111.924 111.511 0.413 1
1 102 . 17 1 1 A 17 17 CYS H H 17 9.142 8.951 0.191 1
1 103 . 17 1 1 A 17 17 CYS HA H 17 4.712 4.747 -0.035 1
1 106 . 17 1 1 A 17 17 CYS C C 17 177.696 175.239 2.457 1
1 107 . 17 1 1 A 17 17 CYS CA C 17 58.694 59.276 -0.582 1
1 108 . 17 1 1 A 17 17 CYS CB C 17 29.770 28.778 0.992 1
1 109 . 17 1 1 A 17 17 CYS N N 17 125.008 121.669 3.339 1
1 110 . 17 1 1 A 18 18 VAL H H 18 9.089 8.614 0.475 1
1 111 . 17 1 1 A 18 18 VAL HA H 18 4.003 4.218 -0.215 1
1 119 . 17 1 1 A 18 18 VAL C C 18 176.506 177.574 -1.068 1
1 120 . 17 1 1 A 18 18 VAL CA C 18 64.407 63.482 0.925 1
1 121 . 17 1 1 A 18 18 VAL CB C 18 31.744 33.139 -1.395 1
1 124 . 17 1 1 A 18 18 VAL N N 18 129.598 124.997 4.601 1
1 125 . 17 1 1 A 19 19 GLU H H 19 8.413 7.937 0.476 1
1 126 . 17 1 1 A 19 19 GLU HA H 19 4.187 4.039 0.148 1
1 131 . 17 1 1 A 19 19 GLU C C 19 177.385 178.016 -0.631 1
1 132 . 17 1 1 A 19 19 GLU CA C 19 58.535 59.145 -0.610 1
1 133 . 17 1 1 A 19 19 GLU CB C 19 29.358 29.531 -0.173 1
1 135 . 17 1 1 A 19 19 GLU N N 19 121.264 120.768 0.496 1
1 136 . 17 1 1 A 20 20 CYS H H 20 7.854 7.911 -0.057 1
1 137 . 17 1 1 A 20 20 CYS HA H 20 5.142 4.748 0.394 1
1 140 . 17 1 1 A 20 20 CYS C C 20 176.237 175.855 0.382 1
1 141 . 17 1 1 A 20 20 CYS CA C 20 58.341 59.147 -0.806 1
1 142 . 17 1 1 A 20 20 CYS CB C 20 32.531 30.637 1.894 1
1 143 . 17 1 1 A 20 20 CYS N N 20 113.736 114.602 -0.866 1
1 144 . 17 1 1 A 21 21 GLY H H 21 8.281 8.078 0.203 1
1 145 . 17 1 1 A 21 21 GLY HA2 H 21 4.216 4.033 0.183 1
1 146 . 17 1 1 A 21 21 GLY HA3 H 21 3.784 4.047 -0.263 1
1 147 . 17 1 1 A 21 21 GLY C C 21 174.288 174.653 -0.365 1
1 148 . 17 1 1 A 21 21 GLY CA C 21 46.159 45.201 0.958 1
1 149 . 17 1 1 A 21 21 GLY N N 21 113.574 110.182 3.392 1
1 150 . 17 1 1 A 22 22 LYS H H 22 7.891 7.537 0.354 1
1 151 . 17 1 1 A 22 22 LYS HA H 22 3.989 4.020 -0.031 1
1 160 . 17 1 1 A 22 22 LYS C C 22 173.452 175.402 -1.950 1
1 161 . 17 1 1 A 22 22 LYS CA C 22 57.789 57.357 0.432 1
1 162 . 17 1 1 A 22 22 LYS CB C 22 34.125 32.583 1.542 1
1 166 . 17 1 1 A 22 22 LYS N N 22 122.877 121.449 1.428 1
1 167 . 17 1 1 A 23 23 ALA H H 23 7.645 8.150 -0.505 1
1 168 . 17 1 1 A 23 23 ALA HA H 23 4.925 5.384 -0.459 1
1 172 . 17 1 1 A 23 23 ALA C C 23 175.868 175.584 0.284 1
1 173 . 17 1 1 A 23 23 ALA CA C 23 50.523 49.984 0.539 1
1 174 . 17 1 1 A 23 23 ALA CB C 23 22.145 21.901 0.244 1
1 175 . 17 1 1 A 23 23 ALA N N 23 122.280 126.722 -4.442 1
1 176 . 17 1 1 A 24 24 PHE H H 24 8.337 9.149 -0.812 1
1 177 . 17 1 1 A 24 24 PHE HA H 24 4.890 4.965 -0.075 1
1 185 . 17 1 1 A 24 24 PHE C C 24 175.994 176.003 -0.009 1
1 186 . 17 1 1 A 24 24 PHE CA C 24 56.926 56.520 0.406 1
1 187 . 17 1 1 A 24 24 PHE CB C 24 43.626 40.971 2.655 1
1 193 . 17 1 1 A 24 24 PHE N N 24 116.352 117.756 -1.404 1
1 194 . 17 1 1 A 25 25 SER H H 25 9.344 8.893 0.451 1
1 195 . 17 1 1 A 25 25 SER HA H 25 4.612 4.317 0.295 1
1 198 . 17 1 1 A 25 25 SER C C 25 174.148 174.643 -0.495 1
1 199 . 17 1 1 A 25 25 SER CA C 25 60.554 60.928 -0.374 1
1 200 . 17 1 1 A 25 25 SER CB C 25 64.329 62.839 1.490 1
1 201 . 17 1 1 A 25 25 SER N N 25 115.148 118.548 -3.400 1
1 202 . 17 1 1 A 26 26 ARG H H 26 7.040 7.878 -0.838 1
1 203 . 17 1 1 A 26 26 ARG HA H 26 4.719 4.641 0.078 1
1 210 . 17 1 1 A 26 26 ARG C C 26 176.116 176.397 -0.281 1
1 211 . 17 1 1 A 26 26 ARG CA C 26 54.417 54.609 -0.192 1
1 212 . 17 1 1 A 26 26 ARG CB C 26 34.587 32.728 1.859 1
1 215 . 17 1 1 A 26 26 ARG N N 26 115.877 122.289 -6.412 1
1 216 . 17 1 1 A 27 27 SER H H 27 8.441 8.689 -0.248 1
1 217 . 17 1 1 A 27 27 SER HA H 27 3.278 3.433 -0.155 1
1 220 . 17 1 1 A 27 27 SER CA C 27 61.160 61.244 -0.084 1
1 221 . 17 1 1 A 27 27 SER CB C 27 61.910 61.706 0.204 1
1 222 . 17 1 1 A 27 27 SER N N 27 120.683 118.879 1.804 1
1 223 . 17 1 1 A 28 28 SER HA H 28 3.969 4.071 -0.102 1
1 226 . 17 1 1 A 28 28 SER C C 28 176.640 177.348 -0.708 1
1 227 . 17 1 1 A 28 28 SER CA C 28 61.029 61.560 -0.531 1
1 228 . 17 1 1 A 28 28 SER CB C 28 61.506 62.920 -1.414 1
1 229 . 17 1 1 A 29 29 ILE H H 29 6.628 7.739 -1.111 1
1 230 . 17 1 1 A 29 29 ILE HA H 29 3.725 3.595 0.130 1
1 240 . 17 1 1 A 29 29 ILE C C 29 178.108 178.305 -0.197 1
1 241 . 17 1 1 A 29 29 ILE CA C 29 63.470 64.194 -0.724 1
1 242 . 17 1 1 A 29 29 ILE CB C 29 38.013 37.018 0.995 1
1 246 . 17 1 1 A 29 29 ILE N N 29 122.549 121.617 0.932 1
1 247 . 17 1 1 A 30 30 LEU H H 30 7.003 7.175 -0.172 1
1 248 . 17 1 1 A 30 30 LEU HA H 30 3.511 3.422 0.089 1
1 258 . 17 1 1 A 30 30 LEU C C 30 177.880 178.263 -0.383 1
1 259 . 17 1 1 A 30 30 LEU CA C 30 58.394 57.618 0.776 1
1 260 . 17 1 1 A 30 30 LEU CB C 30 40.239 41.743 -1.504 1
1 264 . 17 1 1 A 30 30 LEU N N 30 122.518 122.329 0.189 1
1 265 . 17 1 1 A 31 31 VAL H H 31 8.203 7.855 0.348 1
1 266 . 17 1 1 A 31 31 VAL HA H 31 3.709 3.415 0.294 1
1 274 . 17 1 1 A 31 31 VAL C C 31 179.070 178.114 0.956 1
1 275 . 17 1 1 A 31 31 VAL CA C 31 66.618 67.021 -0.403 1
1 276 . 17 1 1 A 31 31 VAL CB C 31 31.624 31.172 0.452 1
1 279 . 17 1 1 A 31 31 VAL N N 31 118.600 119.340 -0.740 1
1 280 . 17 1 1 A 32 32 GLN H H 32 7.323 8.215 -0.892 1
1 281 . 17 1 1 A 32 32 GLN HA H 32 3.927 4.011 -0.084 1
1 288 . 17 1 1 A 32 32 GLN C C 32 178.751 177.975 0.776 1
1 289 . 17 1 1 A 32 32 GLN CA C 32 58.772 58.026 0.746 1
1 290 . 17 1 1 A 32 32 GLN CB C 32 28.368 28.230 0.138 1
1 292 . 17 1 1 A 32 32 GLN N N 32 118.113 119.045 -0.932 1
1 294 . 17 1 1 A 33 33 HIS H H 33 8.046 7.558 0.488 1
1 295 . 17 1 1 A 33 33 HIS HA H 33 4.148 4.115 0.033 1
1 300 . 17 1 1 A 33 33 HIS C C 33 176.164 177.049 -0.885 1
1 301 . 17 1 1 A 33 33 HIS CA C 33 59.033 58.172 0.861 1
1 302 . 17 1 1 A 33 33 HIS CB C 33 27.726 30.150 -2.424 1
1 305 . 17 1 1 A 33 33 HIS N N 33 120.097 119.447 0.650 1
1 306 . 17 1 1 A 34 34 GLN H H 34 8.348 7.694 0.654 1
1 307 . 17 1 1 A 34 34 GLN HA H 34 3.630 4.234 -0.604 1
1 314 . 17 1 1 A 34 34 GLN C C 34 177.457 178.332 -0.875 1
1 315 . 17 1 1 A 34 34 GLN CA C 34 59.367 58.804 0.563 1
1 316 . 17 1 1 A 34 34 GLN CB C 34 28.158 28.817 -0.659 1
1 318 . 17 1 1 A 34 34 GLN N N 34 115.621 117.924 -2.303 1
1 320 . 17 1 1 A 35 35 ARG H H 35 7.167 7.607 -0.440 1
1 321 . 17 1 1 A 35 35 ARG HA H 35 4.094 3.972 0.122 1
1 328 . 17 1 1 A 35 35 ARG C C 35 178.544 178.474 0.070 1
1 329 . 17 1 1 A 35 35 ARG CA C 35 58.553 59.383 -0.830 1
1 330 . 17 1 1 A 35 35 ARG CB C 35 30.016 30.003 0.013 1
1 333 . 17 1 1 A 35 35 ARG N N 35 117.694 119.379 -1.685 1
1 334 . 17 1 1 A 36 36 VAL H H 36 7.878 7.957 -0.079 1
1 335 . 17 1 1 A 36 36 VAL HA H 36 3.885 3.975 -0.090 1
1 343 . 17 1 1 A 36 36 VAL C C 36 177.246 177.955 -0.709 1
1 344 . 17 1 1 A 36 36 VAL CA C 36 63.924 65.798 -1.874 1
1 345 . 17 1 1 A 36 36 VAL CB C 36 31.137 31.334 -0.197 1
1 348 . 17 1 1 A 36 36 VAL N N 36 116.056 117.472 -1.416 1
1 349 . 17 1 1 A 37 37 HIS H H 37 7.151 8.010 -0.859 1
1 350 . 17 1 1 A 37 37 HIS HA H 37 4.877 4.140 0.737 1
1 355 . 17 1 1 A 37 37 HIS C C 37 175.769 178.091 -2.322 1
1 356 . 17 1 1 A 37 37 HIS CA C 37 55.034 59.142 -4.108 1
1 357 . 17 1 1 A 37 37 HIS CB C 37 28.415 29.940 -1.525 1
1 360 . 17 1 1 A 37 37 HIS N N 37 117.486 120.211 -2.725 1
1 361 . 17 1 1 A 38 38 THR H H 38 7.769 7.892 -0.123 1
1 362 . 17 1 1 A 38 38 THR HA H 38 4.288 4.152 0.136 1
1 367 . 17 1 1 A 38 38 THR C C 38 175.391 174.793 0.598 1
1 368 . 17 1 1 A 38 38 THR CA C 38 62.697 64.288 -1.591 1
1 369 . 17 1 1 A 38 38 THR CB C 38 69.738 69.856 -0.118 1
1 371 . 17 1 1 A 38 38 THR N N 38 112.779 111.846 0.933 1
1 372 . 17 1 1 A 39 39 GLY H H 39 8.251 7.477 0.774 1
1 373 . 17 1 1 A 39 39 GLY HA2 H 39 3.994 4.050 -0.056 1
1 374 . 17 1 1 A 39 39 GLY HA3 H 39 3.920 4.065 -0.145 1
1 375 . 17 1 1 A 39 39 GLY C C 39 174.076 171.695 2.381 1
1 376 . 17 1 1 A 39 39 GLY CA C 39 45.288 44.485 0.803 1
1 377 . 17 1 1 A 39 39 GLY N N 39 110.331 107.873 2.458 1
1 378 . 17 1 1 A 40 40 GLU H H 40 8.076 8.857 -0.781 1
1 379 . 17 1 1 A 40 40 GLU HA H 40 4.139 5.085 -0.946 1
1 384 . 17 1 1 A 40 40 GLU C C 40 176.602 175.086 1.516 1
1 385 . 17 1 1 A 40 40 GLU CA C 40 56.915 54.642 2.273 1
1 386 . 17 1 1 A 40 40 GLU CB C 40 30.414 32.751 -2.337 1
1 388 . 17 1 1 A 40 40 GLU N N 40 120.155 117.492 2.663 1
1 389 . 17 1 1 A 41 41 LYS H H 41 8.274 8.506 -0.232 1
1 390 . 17 1 1 A 41 41 LYS HA H 41 4.496 5.113 -0.617 1
1 399 . 17 1 1 A 41 41 LYS C C 41 173.906 175.167 -1.261 1
1 400 . 17 1 1 A 41 41 LYS CA C 41 53.865 53.837 0.028 1
1 401 . 17 1 1 A 41 41 LYS CB C 41 33.372 33.146 0.226 1
1 405 . 17 1 1 A 41 41 LYS N N 41 121.689 119.968 1.721 1
1 406 . 17 1 1 A 42 42 PRO HA H 42 4.253 4.353 -0.100 1
1 413 . 17 1 1 A 42 42 PRO C C 42 176.660 175.828 0.832 1
1 414 . 17 1 1 A 42 42 PRO CA C 42 63.718 64.945 -1.227 1
1 415 . 17 1 1 A 42 42 PRO CB C 42 32.320 31.729 0.591 1
1 418 . 17 1 1 A 43 43 TYR H H 43 7.693 7.607 0.086 1
1 419 . 17 1 1 A 43 43 TYR HA H 43 4.600 4.614 -0.014 1
1 426 . 17 1 1 A 43 43 TYR C C 43 174.460 175.051 -0.591 1
1 427 . 17 1 1 A 43 43 TYR CA C 43 57.722 58.225 -0.503 1
1 428 . 17 1 1 A 43 43 TYR CB C 43 37.840 38.182 -0.342 1
1 433 . 17 1 1 A 43 43 TYR N N 43 118.327 118.112 0.215 1
1 434 . 17 1 1 A 44 44 LYS H H 44 8.335 8.780 -0.445 1
1 435 . 17 1 1 A 44 44 LYS HA H 44 4.826 5.597 -0.771 1
1 444 . 17 1 1 A 44 44 LYS C C 44 174.679 175.470 -0.791 1
1 445 . 17 1 1 A 44 44 LYS CA C 44 55.423 54.861 0.562 1
1 446 . 17 1 1 A 44 44 LYS CB C 44 35.380 34.795 0.585 1
1 450 . 17 1 1 A 44 44 LYS N N 44 125.187 125.951 -0.764 1
1 451 . 17 1 1 A 45 45 CYS H H 45 9.250 9.256 -0.006 1
1 452 . 17 1 1 A 45 45 CYS HA H 45 4.536 4.805 -0.269 1
1 455 . 17 1 1 A 45 45 CYS C C 45 177.400 176.258 1.142 1
1 456 . 17 1 1 A 45 45 CYS CA C 45 59.384 57.584 1.800 1
1 457 . 17 1 1 A 45 45 CYS CB C 45 29.482 29.405 0.077 1
1 458 . 17 1 1 A 45 45 CYS N N 45 126.431 124.311 2.120 1
1 459 . 17 1 1 A 46 46 LEU H H 46 9.297 8.877 0.420 1
1 460 . 17 1 1 A 46 46 LEU HA H 46 4.192 4.557 -0.365 1
1 470 . 17 1 1 A 46 46 LEU C C 46 177.806 177.858 -0.052 1
1 471 . 17 1 1 A 46 46 LEU CA C 46 56.944 55.016 1.928 1
1 472 . 17 1 1 A 46 46 LEU CB C 46 41.269 41.037 0.232 1
1 476 . 17 1 1 A 46 46 LEU N N 46 132.501 128.613 3.888 1
1 477 . 17 1 1 A 47 47 GLU H H 47 8.568 8.046 0.522 1
1 478 . 17 1 1 A 47 47 GLU HA H 47 4.161 4.474 -0.313 1
1 483 . 17 1 1 A 47 47 GLU C C 47 177.358 177.546 -0.188 1
1 484 . 17 1 1 A 47 47 GLU CA C 47 58.545 57.803 0.742 1
1 485 . 17 1 1 A 47 47 GLU CB C 47 29.500 30.602 -1.102 1
1 487 . 17 1 1 A 47 47 GLU N N 47 120.165 119.525 0.640 1
1 488 . 17 1 1 A 48 48 CYS H H 48 7.979 7.496 0.483 1
1 489 . 17 1 1 A 48 48 CYS HA H 48 5.182 4.628 0.554 1
1 492 . 17 1 1 A 48 48 CYS C C 48 176.224 175.436 0.788 1
1 493 . 17 1 1 A 48 48 CYS CA C 48 58.210 59.437 -1.227 1
1 494 . 17 1 1 A 48 48 CYS CB C 48 32.531 29.726 2.805 1
1 495 . 17 1 1 A 48 48 CYS N N 48 114.531 116.105 -1.574 1
1 496 . 17 1 1 A 49 49 GLY H H 49 8.156 8.181 -0.025 1
1 497 . 17 1 1 A 49 49 GLY HA2 H 49 4.273 4.071 0.202 1
1 498 . 17 1 1 A 49 49 GLY HA3 H 49 3.771 4.096 -0.325 1
1 499 . 17 1 1 A 49 49 GLY C C 49 173.907 173.936 -0.029 1
1 500 . 17 1 1 A 49 49 GLY CA C 49 46.207 45.847 0.360 1
1 501 . 17 1 1 A 49 49 GLY N N 49 113.613 109.104 4.509 1
1 502 . 17 1 1 A 50 50 LYS H H 50 7.961 8.126 -0.165 1
1 503 . 17 1 1 A 50 50 LYS HA H 50 3.936 4.858 -0.922 1
1 512 . 17 1 1 A 50 50 LYS C C 50 173.571 174.749 -1.178 1
1 513 . 17 1 1 A 50 50 LYS CA C 50 58.199 54.355 3.844 1
1 514 . 17 1 1 A 50 50 LYS CB C 50 33.479 36.728 -3.249 1
1 518 . 17 1 1 A 50 50 LYS N N 50 123.259 119.827 3.432 1
1 519 . 17 1 1 A 51 51 ALA H H 51 7.740 8.578 -0.838 1
1 520 . 17 1 1 A 51 51 ALA HA H 51 5.179 5.844 -0.665 1
1 524 . 17 1 1 A 51 51 ALA C C 51 175.844 175.770 0.074 1
1 525 . 17 1 1 A 51 51 ALA CA C 51 50.329 49.865 0.464 1
1 526 . 17 1 1 A 51 51 ALA CB C 51 22.741 22.738 0.003 1
1 527 . 17 1 1 A 51 51 ALA N N 51 123.792 122.874 0.918 1
1 528 . 17 1 1 A 52 52 PHE H H 52 8.698 8.986 -0.288 1
1 529 . 17 1 1 A 52 52 PHE HA H 52 4.653 4.920 -0.267 1
1 537 . 17 1 1 A 52 52 PHE C C 52 175.640 175.826 -0.186 1
1 538 . 17 1 1 A 52 52 PHE CA C 52 57.636 57.041 0.595 1
1 539 . 17 1 1 A 52 52 PHE CB C 52 43.314 42.755 0.559 1
1 545 . 17 1 1 A 52 52 PHE N N 52 116.792 118.177 -1.385 1
1 546 . 17 1 1 A 53 53 SER H H 53 9.246 8.956 0.290 1
1 547 . 17 1 1 A 53 53 SER HA H 53 4.627 4.811 -0.184 1
1 550 . 17 1 1 A 53 53 SER C C 53 173.837 174.020 -0.183 1
1 551 . 17 1 1 A 53 53 SER CA C 53 60.959 61.456 -0.497 1
1 552 . 17 1 1 A 53 53 SER CB C 53 64.077 63.493 0.584 1
1 553 . 17 1 1 A 53 53 SER N N 53 116.932 118.494 -1.562 1
1 554 . 17 1 1 A 54 54 GLN H H 54 7.873 7.896 -0.023 1
1 555 . 17 1 1 A 54 54 GLN HA H 54 4.774 4.644 0.130 1
1 562 . 17 1 1 A 54 54 GLN C C 54 176.112 175.747 0.365 1
1 563 . 17 1 1 A 54 54 GLN CA C 54 53.972 54.474 -0.502 1
1 564 . 17 1 1 A 54 54 GLN CB C 54 32.160 31.352 0.808 1
1 566 . 17 1 1 A 54 54 GLN N N 54 116.030 117.567 -1.537 1
1 568 . 17 1 1 A 55 55 ASN H H 55 8.494 8.549 -0.055 1
1 569 . 17 1 1 A 55 55 ASN HA H 55 3.540 3.989 -0.449 1
1 574 . 17 1 1 A 55 55 ASN C C 55 177.306 177.008 0.298 1
1 575 . 17 1 1 A 55 55 ASN CA C 55 56.094 55.493 0.601 1
1 576 . 17 1 1 A 55 55 ASN CB C 55 38.260 38.143 0.117 1
1 577 . 17 1 1 A 55 55 ASN N N 55 124.248 121.809 2.439 1
1 579 . 17 1 1 A 56 56 SER HA H 56 3.867 4.152 -0.285 1
1 582 . 17 1 1 A 56 56 SER C C 56 176.822 177.107 -0.285 1
1 583 . 17 1 1 A 56 56 SER CA C 56 60.888 62.189 -1.301 1
1 584 . 17 1 1 A 56 56 SER CB C 56 61.588 62.834 -1.246 1
1 585 . 17 1 1 A 57 57 GLY H H 57 7.104 8.249 -1.145 1
1 586 . 17 1 1 A 57 57 GLY HA2 H 57 3.893 3.690 0.203 1
1 587 . 17 1 1 A 57 57 GLY HA3 H 57 3.718 3.724 -0.006 1
1 588 . 17 1 1 A 57 57 GLY C C 57 175.641 175.370 0.271 1
1 589 . 17 1 1 A 57 57 GLY CA C 57 46.508 46.931 -0.423 1
1 590 . 17 1 1 A 57 57 GLY N N 57 109.816 109.654 0.162 1
1 591 . 17 1 1 A 58 58 LEU H H 58 6.781 7.928 -1.147 1
1 592 . 17 1 1 A 58 58 LEU HA H 58 3.288 2.672 0.616 1
1 602 . 17 1 1 A 58 58 LEU C C 58 177.650 178.116 -0.466 1
1 603 . 17 1 1 A 58 58 LEU CA C 58 57.726 56.829 0.897 1
1 604 . 17 1 1 A 58 58 LEU CB C 58 40.656 41.006 -0.350 1
1 608 . 17 1 1 A 58 58 LEU N N 58 124.058 122.009 2.049 1
1 609 . 17 1 1 A 59 59 ILE H H 59 8.281 8.096 0.185 1
1 610 . 17 1 1 A 59 59 ILE HA H 59 3.686 3.416 0.270 1
1 620 . 17 1 1 A 59 59 ILE C C 59 179.220 177.607 1.613 1
1 621 . 17 1 1 A 59 59 ILE CA C 59 64.389 65.669 -1.280 1
1 622 . 17 1 1 A 59 59 ILE CB C 59 37.545 37.659 -0.114 1
1 626 . 17 1 1 A 59 59 ILE N N 59 119.575 119.841 -0.266 1
1 627 . 17 1 1 A 60 60 ASN H H 60 7.677 8.163 -0.486 1
1 628 . 17 1 1 A 60 60 ASN HA H 60 4.326 4.346 -0.020 1
1 633 . 17 1 1 A 60 60 ASN C C 60 177.688 176.738 0.950 1
1 634 . 17 1 1 A 60 60 ASN CA C 60 56.183 56.011 0.172 1
1 635 . 17 1 1 A 60 60 ASN CB C 60 38.549 38.269 0.280 1
1 636 . 17 1 1 A 60 60 ASN N N 60 116.791 117.684 -0.893 1
1 638 . 17 1 1 A 61 61 HIS H H 61 7.526 7.812 -0.286 1
1 639 . 17 1 1 A 61 61 HIS HA H 61 4.172 4.242 -0.070 1
1 643 . 17 1 1 A 61 61 HIS C C 61 176.063 176.140 -0.077 1
1 644 . 17 1 1 A 61 61 HIS CA C 61 58.924 57.713 1.211 1
1 645 . 17 1 1 A 61 61 HIS CB C 61 29.110 30.285 -1.175 1
1 647 . 17 1 1 A 61 61 HIS N N 61 119.310 120.134 -0.824 1
1 648 . 17 1 1 A 62 62 GLN H H 62 8.345 8.088 0.257 1
1 649 . 17 1 1 A 62 62 GLN HA H 62 3.631 4.241 -0.610 1
1 656 . 17 1 1 A 62 62 GLN C C 62 177.302 178.044 -0.742 1
1 657 . 17 1 1 A 62 62 GLN CA C 62 59.260 56.572 2.688 1
1 658 . 17 1 1 A 62 62 GLN CB C 62 28.161 29.431 -1.270 1
1 660 . 17 1 1 A 62 62 GLN N N 62 115.573 117.660 -2.087 1
1 662 . 17 1 1 A 63 63 ARG H H 63 7.029 7.882 -0.853 1
1 663 . 17 1 1 A 63 63 ARG HA H 63 4.091 4.072 0.019 1
1 670 . 17 1 1 A 63 63 ARG C C 63 178.257 177.932 0.325 1
1 671 . 17 1 1 A 63 63 ARG CA C 63 58.505 58.440 0.065 1
1 672 . 17 1 1 A 63 63 ARG CB C 63 30.046 29.558 0.488 1
1 675 . 17 1 1 A 63 63 ARG N N 63 117.521 118.844 -1.323 1
1 676 . 17 1 1 A 64 64 ILE H H 64 7.763 7.406 0.357 1
1 677 . 17 1 1 A 64 64 ILE HA H 64 3.988 3.698 0.290 1
1 687 . 17 1 1 A 64 64 ILE C C 64 177.138 177.967 -0.829 1
1 688 . 17 1 1 A 64 64 ILE CA C 64 62.780 64.148 -1.368 1
1 689 . 17 1 1 A 64 64 ILE CB C 64 37.760 37.287 0.473 1
1 693 . 17 1 1 A 64 64 ILE N N 64 115.601 116.351 -0.750 1
1 694 . 17 1 1 A 65 65 HIS H H 65 7.261 7.476 -0.215 1
1 695 . 17 1 1 A 65 65 HIS HA H 65 4.867 4.233 0.634 1
1 700 . 17 1 1 A 65 65 HIS C C 65 175.314 177.878 -2.564 1
1 701 . 17 1 1 A 65 65 HIS CA C 65 54.927 59.784 -4.857 1
1 702 . 17 1 1 A 65 65 HIS CB C 65 28.723 29.505 -0.782 1
1 705 . 17 1 1 A 65 65 HIS N N 65 118.018 121.286 -3.268 1
1 706 . 17 1 1 A 66 66 THR H H 66 7.717 7.939 -0.222 1
1 707 . 17 1 1 A 66 66 THR HA H 66 4.433 4.134 0.299 1
1 712 . 17 1 1 A 66 66 THR C C 66 174.569 175.086 -0.517 1
1 713 . 17 1 1 A 66 66 THR CA C 66 61.984 65.308 -3.324 1
1 714 . 17 1 1 A 66 66 THR CB C 66 69.832 68.132 1.700 1
1 716 . 17 1 1 A 66 66 THR N N 66 112.598 112.937 -0.339 1
1 717 . 17 1 1 A 67 67 SER H H 67 8.272 7.433 0.839 1
1 718 . 17 1 1 A 67 67 SER HA H 67 4.540 4.438 0.102 1
1 721 . 17 1 1 A 67 67 SER C C 67 174.531 173.581 0.950 1
1 722 . 17 1 1 A 67 67 SER CA C 67 58.517 57.199 1.318 1
1 723 . 17 1 1 A 67 67 SER CB C 67 64.041 62.029 2.012 1
1 724 . 17 1 1 A 67 67 SER N N 67 117.832 117.563 0.269 1
1 725 . 17 1 1 A 68 68 GLY H H 68 8.223 8.744 -0.521 1
1 726 . 17 1 1 A 68 68 GLY HA2 H 68 4.153 4.043 0.110 1
1 727 . 17 1 1 A 68 68 GLY HA3 H 68 4.101 4.046 0.055 1
1 728 . 17 1 1 A 68 68 GLY C C 68 171.817 174.159 -2.342 1
1 729 . 17 1 1 A 68 68 GLY CA C 68 44.704 44.833 -0.129 1
1 730 . 17 1 1 A 68 68 GLY N N 68 110.671 114.683 -4.012 1
1 731 . 17 1 1 A 69 69 PRO HA H 69 4.469 4.458 0.011 1
1 738 . 17 1 1 A 69 69 PRO CA C 69 63.244 64.117 -0.873 1
1 739 . 17 1 1 A 69 69 PRO CB C 69 32.208 31.741 0.467 1
1 1 . 18 1 1 A 7 7 GLY HA2 H 7 3.957 4.011 -0.054 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.957 4.044 -0.087 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.124 171.760 2.364 1
1 4 . 18 1 1 A 7 7 GLY CA C 7 45.359 43.827 1.532 1
1 5 . 18 1 1 A 8 8 ILE H H 8 7.939 8.329 -0.390 1
1 6 . 18 1 1 A 8 8 ILE HA H 8 4.106 4.981 -0.875 1
1 16 . 18 1 1 A 8 8 ILE C C 8 176.213 174.038 2.175 1
1 17 . 18 1 1 A 8 8 ILE CA C 8 61.378 58.666 2.712 1
1 18 . 18 1 1 A 8 8 ILE CB C 8 38.603 42.401 -3.798 1
1 22 . 18 1 1 A 8 8 ILE N N 8 119.652 115.962 3.690 1
1 23 . 18 1 1 A 9 9 HIS H H 9 8.409 8.337 0.072 1
1 24 . 18 1 1 A 9 9 HIS C C 9 175.436 173.748 1.688 1
1 25 . 18 1 1 A 9 9 HIS CA C 9 56.065 54.195 1.870 1
1 26 . 18 1 1 A 9 9 HIS CB C 9 30.677 34.906 -4.229 1
1 27 . 18 1 1 A 9 9 HIS N N 9 123.607 119.282 4.325 1
1 28 . 18 1 1 A 10 10 SER HA H 10 4.484 4.867 -0.383 1
1 31 . 18 1 1 A 10 10 SER C C 10 174.981 172.934 2.047 1
1 32 . 18 1 1 A 10 10 SER CA C 10 58.621 56.113 2.508 1
1 33 . 18 1 1 A 10 10 SER CB C 10 63.732 65.903 -2.171 1
1 34 . 18 1 1 A 11 11 GLY H H 11 8.447 8.857 -0.410 1
1 35 . 18 1 1 A 11 11 GLY HA2 H 11 3.936 3.971 -0.035 1
1 36 . 18 1 1 A 11 11 GLY HA3 H 11 3.936 3.981 -0.045 1
1 37 . 18 1 1 A 11 11 GLY C C 11 174.112 174.027 0.085 1
1 38 . 18 1 1 A 11 11 GLY CA C 11 45.292 46.596 -1.304 1
1 39 . 18 1 1 A 11 11 GLY N N 11 110.887 115.199 -4.312 1
1 40 . 18 1 1 A 12 12 GLU H H 12 8.200 8.272 -0.072 1
1 41 . 18 1 1 A 12 12 GLU HA H 12 4.174 4.161 0.013 1
1 46 . 18 1 1 A 12 12 GLU C C 12 176.545 177.194 -0.649 1
1 47 . 18 1 1 A 12 12 GLU CA C 12 56.962 58.906 -1.944 1
1 48 . 18 1 1 A 12 12 GLU CB C 12 30.388 29.727 0.661 1
1 50 . 18 1 1 A 12 12 GLU N N 12 120.059 125.578 -5.519 1
1 51 . 18 1 1 A 13 13 LYS H H 13 8.280 7.673 0.607 1
1 52 . 18 1 1 A 13 13 LYS HA H 13 4.434 4.410 0.024 1
1 61 . 18 1 1 A 13 13 LYS C C 13 173.760 176.699 -2.939 1
1 62 . 18 1 1 A 13 13 LYS CA C 13 53.742 55.042 -1.300 1
1 63 . 18 1 1 A 13 13 LYS CB C 13 33.067 32.364 0.703 1
1 67 . 18 1 1 A 13 13 LYS N N 13 121.235 118.976 2.259 1
1 68 . 18 1 1 A 14 14 PRO HA H 14 4.268 4.500 -0.232 1
1 75 . 18 1 1 A 14 14 PRO C C 14 176.391 175.893 0.498 1
1 76 . 18 1 1 A 14 14 PRO CA C 14 63.473 64.389 -0.916 1
1 77 . 18 1 1 A 14 14 PRO CB C 14 32.243 31.576 0.667 1
1 80 . 18 1 1 A 15 15 TYR H H 15 7.898 7.225 0.673 1
1 81 . 18 1 1 A 15 15 TYR HA H 15 4.609 5.053 -0.444 1
1 88 . 18 1 1 A 15 15 TYR C C 15 175.259 175.497 -0.238 1
1 89 . 18 1 1 A 15 15 TYR CA C 15 57.252 56.542 0.710 1
1 90 . 18 1 1 A 15 15 TYR CB C 15 37.800 41.048 -3.248 1
1 95 . 18 1 1 A 15 15 TYR N N 15 118.120 118.820 -0.700 1
1 96 . 18 1 1 A 16 16 GLY H H 16 8.420 8.933 -0.513 1
1 97 . 18 1 1 A 16 16 GLY HA2 H 16 4.634 4.435 0.199 1
1 98 . 18 1 1 A 16 16 GLY HA3 H 16 3.568 4.465 -0.897 1
1 99 . 18 1 1 A 16 16 GLY C C 16 172.667 172.577 0.090 1
1 100 . 18 1 1 A 16 16 GLY CA C 16 44.599 44.648 -0.049 1
1 101 . 18 1 1 A 16 16 GLY N N 16 111.924 110.498 1.426 1
1 102 . 18 1 1 A 17 17 CYS H H 17 9.142 9.337 -0.195 1
1 103 . 18 1 1 A 17 17 CYS HA H 17 4.712 4.817 -0.105 1
1 106 . 18 1 1 A 17 17 CYS C C 17 177.696 174.917 2.779 1
1 107 . 18 1 1 A 17 17 CYS CA C 17 58.694 58.771 -0.077 1
1 108 . 18 1 1 A 17 17 CYS CB C 17 29.770 29.023 0.747 1
1 109 . 18 1 1 A 17 17 CYS N N 17 125.008 120.912 4.096 1
1 110 . 18 1 1 A 18 18 VAL H H 18 9.089 8.735 0.354 1
1 111 . 18 1 1 A 18 18 VAL HA H 18 4.003 4.190 -0.187 1
1 119 . 18 1 1 A 18 18 VAL C C 18 176.506 177.838 -1.332 1
1 120 . 18 1 1 A 18 18 VAL CA C 18 64.407 63.718 0.689 1
1 121 . 18 1 1 A 18 18 VAL CB C 18 31.744 33.076 -1.332 1
1 124 . 18 1 1 A 18 18 VAL N N 18 129.598 124.730 4.868 1
1 125 . 18 1 1 A 19 19 GLU H H 19 8.413 8.028 0.385 1
1 126 . 18 1 1 A 19 19 GLU HA H 19 4.187 3.937 0.250 1
1 131 . 18 1 1 A 19 19 GLU C C 19 177.385 177.841 -0.456 1
1 132 . 18 1 1 A 19 19 GLU CA C 19 58.535 59.585 -1.050 1
1 133 . 18 1 1 A 19 19 GLU CB C 19 29.358 28.979 0.379 1
1 135 . 18 1 1 A 19 19 GLU N N 19 121.264 121.907 -0.643 1
1 136 . 18 1 1 A 20 20 CYS H H 20 7.854 7.514 0.340 1
1 137 . 18 1 1 A 20 20 CYS HA H 20 5.142 4.795 0.347 1
1 140 . 18 1 1 A 20 20 CYS C C 20 176.237 175.809 0.428 1
1 141 . 18 1 1 A 20 20 CYS CA C 20 58.341 59.435 -1.094 1
1 142 . 18 1 1 A 20 20 CYS CB C 20 32.531 30.365 2.166 1
1 143 . 18 1 1 A 20 20 CYS N N 20 113.736 114.487 -0.751 1
1 144 . 18 1 1 A 21 21 GLY H H 21 8.281 8.066 0.215 1
1 145 . 18 1 1 A 21 21 GLY HA2 H 21 4.216 4.067 0.149 1
1 146 . 18 1 1 A 21 21 GLY HA3 H 21 3.784 4.078 -0.294 1
1 147 . 18 1 1 A 21 21 GLY C C 21 174.288 174.510 -0.222 1
1 148 . 18 1 1 A 21 21 GLY CA C 21 46.159 45.067 1.092 1
1 149 . 18 1 1 A 21 21 GLY N N 21 113.574 109.866 3.708 1
1 150 . 18 1 1 A 22 22 LYS H H 22 7.891 7.549 0.342 1
1 151 . 18 1 1 A 22 22 LYS HA H 22 3.989 4.121 -0.132 1
1 160 . 18 1 1 A 22 22 LYS C C 22 173.452 175.609 -2.157 1
1 161 . 18 1 1 A 22 22 LYS CA C 22 57.789 55.559 2.230 1
1 162 . 18 1 1 A 22 22 LYS CB C 22 34.125 32.803 1.322 1
1 166 . 18 1 1 A 22 22 LYS N N 22 122.877 122.116 0.761 1
1 167 . 18 1 1 A 23 23 ALA H H 23 7.645 8.258 -0.613 1
1 168 . 18 1 1 A 23 23 ALA HA H 23 4.925 5.128 -0.203 1
1 172 . 18 1 1 A 23 23 ALA C C 23 175.868 176.226 -0.358 1
1 173 . 18 1 1 A 23 23 ALA CA C 23 50.523 50.829 -0.306 1
1 174 . 18 1 1 A 23 23 ALA CB C 23 22.145 20.544 1.601 1
1 175 . 18 1 1 A 23 23 ALA N N 23 122.280 128.552 -6.272 1
1 176 . 18 1 1 A 24 24 PHE H H 24 8.337 9.060 -0.723 1
1 177 . 18 1 1 A 24 24 PHE HA H 24 4.890 4.923 -0.033 1
1 185 . 18 1 1 A 24 24 PHE C C 24 175.994 176.123 -0.129 1
1 186 . 18 1 1 A 24 24 PHE CA C 24 56.926 57.063 -0.137 1
1 187 . 18 1 1 A 24 24 PHE CB C 24 43.626 42.797 0.829 1
1 193 . 18 1 1 A 24 24 PHE N N 24 116.352 117.841 -1.489 1
1 194 . 18 1 1 A 25 25 SER H H 25 9.344 8.860 0.484 1
1 195 . 18 1 1 A 25 25 SER HA H 25 4.612 4.368 0.244 1
1 198 . 18 1 1 A 25 25 SER C C 25 174.148 174.367 -0.219 1
1 199 . 18 1 1 A 25 25 SER CA C 25 60.554 60.646 -0.092 1
1 200 . 18 1 1 A 25 25 SER CB C 25 64.329 63.166 1.163 1
1 201 . 18 1 1 A 25 25 SER N N 25 115.148 117.806 -2.658 1
1 202 . 18 1 1 A 26 26 ARG H H 26 7.040 7.745 -0.705 1
1 203 . 18 1 1 A 26 26 ARG HA H 26 4.719 4.628 0.091 1
1 210 . 18 1 1 A 26 26 ARG C C 26 176.116 176.054 0.062 1
1 211 . 18 1 1 A 26 26 ARG CA C 26 54.417 53.895 0.522 1
1 212 . 18 1 1 A 26 26 ARG CB C 26 34.587 33.542 1.045 1
1 215 . 18 1 1 A 26 26 ARG N N 26 115.877 120.871 -4.994 1
1 216 . 18 1 1 A 27 27 SER H H 27 8.441 8.582 -0.141 1
1 217 . 18 1 1 A 27 27 SER HA H 27 3.278 3.523 -0.245 1
1 220 . 18 1 1 A 27 27 SER CA C 27 61.160 60.790 0.370 1
1 221 . 18 1 1 A 27 27 SER CB C 27 61.910 62.314 -0.404 1
1 222 . 18 1 1 A 27 27 SER N N 27 120.683 118.312 2.371 1
1 223 . 18 1 1 A 28 28 SER HA H 28 3.969 4.154 -0.185 1
1 226 . 18 1 1 A 28 28 SER C C 28 176.640 176.909 -0.269 1
1 227 . 18 1 1 A 28 28 SER CA C 28 61.029 61.882 -0.853 1
1 228 . 18 1 1 A 28 28 SER CB C 28 61.506 62.714 -1.208 1
1 229 . 18 1 1 A 29 29 ILE H H 29 6.628 7.780 -1.152 1
1 230 . 18 1 1 A 29 29 ILE HA H 29 3.725 3.655 0.070 1
1 240 . 18 1 1 A 29 29 ILE C C 29 178.108 177.347 0.761 1
1 241 . 18 1 1 A 29 29 ILE CA C 29 63.470 65.139 -1.669 1
1 242 . 18 1 1 A 29 29 ILE CB C 29 38.013 37.718 0.295 1
1 246 . 18 1 1 A 29 29 ILE N N 29 122.549 122.581 -0.032 1
1 247 . 18 1 1 A 30 30 LEU H H 30 7.003 8.189 -1.186 1
1 248 . 18 1 1 A 30 30 LEU HA H 30 3.511 1.899 1.612 1
1 258 . 18 1 1 A 30 30 LEU C C 30 177.880 178.189 -0.309 1
1 259 . 18 1 1 A 30 30 LEU CA C 30 58.394 57.445 0.949 1
1 260 . 18 1 1 A 30 30 LEU CB C 30 40.239 41.676 -1.437 1
1 264 . 18 1 1 A 30 30 LEU N N 30 122.518 121.465 1.053 1
1 265 . 18 1 1 A 31 31 VAL H H 31 8.203 7.864 0.339 1
1 266 . 18 1 1 A 31 31 VAL HA H 31 3.709 3.456 0.253 1
1 274 . 18 1 1 A 31 31 VAL C C 31 179.070 177.263 1.807 1
1 275 . 18 1 1 A 31 31 VAL CA C 31 66.618 66.562 0.056 1
1 276 . 18 1 1 A 31 31 VAL CB C 31 31.624 31.423 0.201 1
1 279 . 18 1 1 A 31 31 VAL N N 31 118.600 119.378 -0.778 1
1 280 . 18 1 1 A 32 32 GLN H H 32 7.323 7.585 -0.262 1
1 281 . 18 1 1 A 32 32 GLN HA H 32 3.927 3.989 -0.062 1
1 288 . 18 1 1 A 32 32 GLN C C 32 178.751 178.149 0.602 1
1 289 . 18 1 1 A 32 32 GLN CA C 32 58.772 58.931 -0.159 1
1 290 . 18 1 1 A 32 32 GLN CB C 32 28.368 28.199 0.169 1
1 292 . 18 1 1 A 32 32 GLN N N 32 118.113 118.635 -0.522 1
1 294 . 18 1 1 A 33 33 HIS H H 33 8.046 7.846 0.200 1
1 295 . 18 1 1 A 33 33 HIS HA H 33 4.148 4.211 -0.063 1
1 300 . 18 1 1 A 33 33 HIS C C 33 176.164 177.129 -0.965 1
1 301 . 18 1 1 A 33 33 HIS CA C 33 59.033 58.251 0.782 1
1 302 . 18 1 1 A 33 33 HIS CB C 33 27.726 30.375 -2.649 1
1 305 . 18 1 1 A 33 33 HIS N N 33 120.097 120.473 -0.376 1
1 306 . 18 1 1 A 34 34 GLN H H 34 8.348 7.636 0.712 1
1 307 . 18 1 1 A 34 34 GLN HA H 34 3.630 4.531 -0.901 1
1 314 . 18 1 1 A 34 34 GLN C C 34 177.457 178.640 -1.183 1
1 315 . 18 1 1 A 34 34 GLN CA C 34 59.367 58.143 1.224 1
1 316 . 18 1 1 A 34 34 GLN CB C 34 28.158 28.682 -0.524 1
1 318 . 18 1 1 A 34 34 GLN N N 34 115.621 117.897 -2.276 1
1 320 . 18 1 1 A 35 35 ARG H H 35 7.167 7.681 -0.514 1
1 321 . 18 1 1 A 35 35 ARG HA H 35 4.094 4.103 -0.009 1
1 328 . 18 1 1 A 35 35 ARG C C 35 178.544 178.016 0.528 1
1 329 . 18 1 1 A 35 35 ARG CA C 35 58.553 59.096 -0.543 1
1 330 . 18 1 1 A 35 35 ARG CB C 35 30.016 29.865 0.151 1
1 333 . 18 1 1 A 35 35 ARG N N 35 117.694 119.094 -1.400 1
1 334 . 18 1 1 A 36 36 VAL H H 36 7.878 7.324 0.554 1
1 335 . 18 1 1 A 36 36 VAL HA H 36 3.885 3.744 0.141 1
1 343 . 18 1 1 A 36 36 VAL C C 36 177.246 177.971 -0.725 1
1 344 . 18 1 1 A 36 36 VAL CA C 36 63.924 65.184 -1.260 1
1 345 . 18 1 1 A 36 36 VAL CB C 36 31.137 31.250 -0.113 1
1 348 . 18 1 1 A 36 36 VAL N N 36 116.056 115.313 0.743 1
1 349 . 18 1 1 A 37 37 HIS H H 37 7.151 7.930 -0.779 1
1 350 . 18 1 1 A 37 37 HIS HA H 37 4.877 4.280 0.597 1
1 355 . 18 1 1 A 37 37 HIS C C 37 175.769 176.765 -0.996 1
1 356 . 18 1 1 A 37 37 HIS CA C 37 55.034 59.379 -4.345 1
1 357 . 18 1 1 A 37 37 HIS CB C 37 28.415 29.513 -1.098 1
1 360 . 18 1 1 A 37 37 HIS N N 37 117.486 120.211 -2.725 1
1 361 . 18 1 1 A 38 38 THR H H 38 7.769 7.449 0.320 1
1 362 . 18 1 1 A 38 38 THR HA H 38 4.288 4.298 -0.010 1
1 367 . 18 1 1 A 38 38 THR C C 38 175.391 172.946 2.445 1
1 368 . 18 1 1 A 38 38 THR CA C 38 62.697 61.052 1.645 1
1 369 . 18 1 1 A 38 38 THR CB C 38 69.738 67.514 2.224 1
1 371 . 18 1 1 A 38 38 THR N N 38 112.779 110.617 2.162 1
1 372 . 18 1 1 A 39 39 GLY H H 39 8.251 8.670 -0.419 1
1 373 . 18 1 1 A 39 39 GLY HA2 H 39 3.994 4.197 -0.203 1
1 374 . 18 1 1 A 39 39 GLY HA3 H 39 3.920 4.210 -0.290 1
1 375 . 18 1 1 A 39 39 GLY C C 39 174.076 172.775 1.301 1
1 376 . 18 1 1 A 39 39 GLY CA C 39 45.288 44.532 0.756 1
1 377 . 18 1 1 A 39 39 GLY N N 39 110.331 115.189 -4.858 1
1 378 . 18 1 1 A 40 40 GLU H H 40 8.076 8.799 -0.723 1
1 379 . 18 1 1 A 40 40 GLU HA H 40 4.139 4.457 -0.318 1
1 384 . 18 1 1 A 40 40 GLU C C 40 176.602 176.409 0.193 1
1 385 . 18 1 1 A 40 40 GLU CA C 40 56.915 55.444 1.471 1
1 386 . 18 1 1 A 40 40 GLU CB C 40 30.414 29.648 0.766 1
1 388 . 18 1 1 A 40 40 GLU N N 40 120.155 124.065 -3.910 1
1 389 . 18 1 1 A 41 41 LYS H H 41 8.274 7.382 0.892 1
1 390 . 18 1 1 A 41 41 LYS HA H 41 4.496 4.820 -0.324 1
1 399 . 18 1 1 A 41 41 LYS C C 41 173.906 174.752 -0.846 1
1 400 . 18 1 1 A 41 41 LYS CA C 41 53.865 53.715 0.150 1
1 401 . 18 1 1 A 41 41 LYS CB C 41 33.372 33.008 0.364 1
1 405 . 18 1 1 A 41 41 LYS N N 41 121.689 121.775 -0.086 1
1 406 . 18 1 1 A 42 42 PRO HA H 42 4.253 4.501 -0.248 1
1 413 . 18 1 1 A 42 42 PRO C C 42 176.660 176.125 0.535 1
1 414 . 18 1 1 A 42 42 PRO CA C 42 63.718 64.715 -0.997 1
1 415 . 18 1 1 A 42 42 PRO CB C 42 32.320 31.866 0.454 1
1 418 . 18 1 1 A 43 43 TYR H H 43 7.693 7.171 0.522 1
1 419 . 18 1 1 A 43 43 TYR HA H 43 4.600 4.635 -0.035 1
1 426 . 18 1 1 A 43 43 TYR C C 43 174.460 174.996 -0.536 1
1 427 . 18 1 1 A 43 43 TYR CA C 43 57.722 57.997 -0.275 1
1 428 . 18 1 1 A 43 43 TYR CB C 43 37.840 38.280 -0.440 1
1 433 . 18 1 1 A 43 43 TYR N N 43 118.327 117.997 0.330 1
1 434 . 18 1 1 A 44 44 LYS H H 44 8.335 8.950 -0.615 1
1 435 . 18 1 1 A 44 44 LYS HA H 44 4.826 5.469 -0.643 1
1 444 . 18 1 1 A 44 44 LYS C C 44 174.679 176.006 -1.327 1
1 445 . 18 1 1 A 44 44 LYS CA C 44 55.423 54.410 1.013 1
1 446 . 18 1 1 A 44 44 LYS CB C 44 35.380 35.791 -0.411 1
1 450 . 18 1 1 A 44 44 LYS N N 44 125.187 126.087 -0.900 1
1 451 . 18 1 1 A 45 45 CYS H H 45 9.250 9.537 -0.287 1
1 452 . 18 1 1 A 45 45 CYS HA H 45 4.536 4.651 -0.115 1
1 455 . 18 1 1 A 45 45 CYS C C 45 177.400 175.134 2.266 1
1 456 . 18 1 1 A 45 45 CYS CA C 45 59.384 59.766 -0.382 1
1 457 . 18 1 1 A 45 45 CYS CB C 45 29.482 28.340 1.142 1
1 458 . 18 1 1 A 45 45 CYS N N 45 126.431 124.436 1.995 1
1 459 . 18 1 1 A 46 46 LEU H H 46 9.297 8.440 0.857 1
1 460 . 18 1 1 A 46 46 LEU HA H 46 4.192 4.431 -0.239 1
1 470 . 18 1 1 A 46 46 LEU C C 46 177.806 178.034 -0.228 1
1 471 . 18 1 1 A 46 46 LEU CA C 46 56.944 54.803 2.141 1
1 472 . 18 1 1 A 46 46 LEU CB C 46 41.269 42.178 -0.909 1
1 476 . 18 1 1 A 46 46 LEU N N 46 132.501 129.755 2.746 1
1 477 . 18 1 1 A 47 47 GLU H H 47 8.568 7.687 0.881 1
1 478 . 18 1 1 A 47 47 GLU HA H 47 4.161 4.096 0.065 1
1 483 . 18 1 1 A 47 47 GLU C C 47 177.358 177.744 -0.386 1
1 484 . 18 1 1 A 47 47 GLU CA C 47 58.545 58.894 -0.349 1
1 485 . 18 1 1 A 47 47 GLU CB C 47 29.500 30.150 -0.650 1
1 487 . 18 1 1 A 47 47 GLU N N 47 120.165 119.948 0.217 1
1 488 . 18 1 1 A 48 48 CYS H H 48 7.979 7.525 0.454 1
1 489 . 18 1 1 A 48 48 CYS HA H 48 5.182 4.606 0.576 1
1 492 . 18 1 1 A 48 48 CYS C C 48 176.224 175.328 0.896 1
1 493 . 18 1 1 A 48 48 CYS CA C 48 58.210 59.437 -1.227 1
1 494 . 18 1 1 A 48 48 CYS CB C 48 32.531 29.832 2.699 1
1 495 . 18 1 1 A 48 48 CYS N N 48 114.531 115.495 -0.964 1
1 496 . 18 1 1 A 49 49 GLY H H 49 8.156 8.107 0.049 1
1 497 . 18 1 1 A 49 49 GLY HA2 H 49 4.273 4.073 0.200 1
1 498 . 18 1 1 A 49 49 GLY HA3 H 49 3.771 4.101 -0.330 1
1 499 . 18 1 1 A 49 49 GLY C C 49 173.907 172.689 1.218 1
1 500 . 18 1 1 A 49 49 GLY CA C 49 46.207 44.926 1.281 1
1 501 . 18 1 1 A 49 49 GLY N N 49 113.613 109.437 4.176 1
1 502 . 18 1 1 A 50 50 LYS H H 50 7.961 8.753 -0.792 1
1 503 . 18 1 1 A 50 50 LYS HA H 50 3.936 4.649 -0.713 1
1 512 . 18 1 1 A 50 50 LYS C C 50 173.571 173.860 -0.289 1
1 513 . 18 1 1 A 50 50 LYS CA C 50 58.199 55.473 2.726 1
1 514 . 18 1 1 A 50 50 LYS CB C 50 33.479 36.438 -2.959 1
1 518 . 18 1 1 A 50 50 LYS N N 50 123.259 125.483 -2.224 1
1 519 . 18 1 1 A 51 51 ALA H H 51 7.740 8.450 -0.710 1
1 520 . 18 1 1 A 51 51 ALA HA H 51 5.179 5.700 -0.521 1
1 524 . 18 1 1 A 51 51 ALA C C 51 175.844 176.208 -0.364 1
1 525 . 18 1 1 A 51 51 ALA CA C 51 50.329 50.447 -0.118 1
1 526 . 18 1 1 A 51 51 ALA CB C 51 22.741 21.637 1.104 1
1 527 . 18 1 1 A 51 51 ALA N N 51 123.792 127.668 -3.876 1
1 528 . 18 1 1 A 52 52 PHE H H 52 8.698 8.681 0.017 1
1 529 . 18 1 1 A 52 52 PHE HA H 52 4.653 4.888 -0.235 1
1 537 . 18 1 1 A 52 52 PHE C C 52 175.640 175.754 -0.114 1
1 538 . 18 1 1 A 52 52 PHE CA C 52 57.636 56.970 0.666 1
1 539 . 18 1 1 A 52 52 PHE CB C 52 43.314 43.267 0.047 1
1 545 . 18 1 1 A 52 52 PHE N N 52 116.792 117.783 -0.991 1
1 546 . 18 1 1 A 53 53 SER H H 53 9.246 8.923 0.323 1
1 547 . 18 1 1 A 53 53 SER HA H 53 4.627 4.563 0.064 1
1 550 . 18 1 1 A 53 53 SER C C 53 173.837 174.413 -0.576 1
1 551 . 18 1 1 A 53 53 SER CA C 53 60.959 60.066 0.893 1
1 552 . 18 1 1 A 53 53 SER CB C 53 64.077 63.336 0.741 1
1 553 . 18 1 1 A 53 53 SER N N 53 116.932 116.794 0.138 1
1 554 . 18 1 1 A 54 54 GLN H H 54 7.873 7.951 -0.078 1
1 555 . 18 1 1 A 54 54 GLN HA H 54 4.774 5.005 -0.231 1
1 562 . 18 1 1 A 54 54 GLN C C 54 176.112 175.882 0.230 1
1 563 . 18 1 1 A 54 54 GLN CA C 54 53.972 54.837 -0.865 1
1 564 . 18 1 1 A 54 54 GLN CB C 54 32.160 31.402 0.758 1
1 566 . 18 1 1 A 54 54 GLN N N 54 116.030 120.698 -4.668 1
1 568 . 18 1 1 A 55 55 ASN H H 55 8.494 9.225 -0.731 1
1 569 . 18 1 1 A 55 55 ASN HA H 55 3.540 4.239 -0.699 1
1 574 . 18 1 1 A 55 55 ASN C C 55 177.306 177.064 0.242 1
1 575 . 18 1 1 A 55 55 ASN CA C 55 56.094 56.467 -0.373 1
1 576 . 18 1 1 A 55 55 ASN CB C 55 38.260 37.943 0.317 1
1 577 . 18 1 1 A 55 55 ASN N N 55 124.248 124.207 0.041 1
1 579 . 18 1 1 A 56 56 SER HA H 56 3.867 4.164 -0.297 1
1 582 . 18 1 1 A 56 56 SER C C 56 176.822 177.247 -0.425 1
1 583 . 18 1 1 A 56 56 SER CA C 56 60.888 62.205 -1.317 1
1 584 . 18 1 1 A 56 56 SER CB C 56 61.588 62.794 -1.206 1
1 585 . 18 1 1 A 57 57 GLY H H 57 7.104 8.078 -0.974 1
1 586 . 18 1 1 A 57 57 GLY HA2 H 57 3.893 3.678 0.215 1
1 587 . 18 1 1 A 57 57 GLY HA3 H 57 3.718 3.715 0.003 1
1 588 . 18 1 1 A 57 57 GLY C C 57 175.641 175.249 0.392 1
1 589 . 18 1 1 A 57 57 GLY CA C 57 46.508 46.928 -0.420 1
1 590 . 18 1 1 A 57 57 GLY N N 57 109.816 110.094 -0.278 1
1 591 . 18 1 1 A 58 58 LEU H H 58 6.781 7.771 -0.990 1
1 592 . 18 1 1 A 58 58 LEU HA H 58 3.288 2.471 0.817 1
1 602 . 18 1 1 A 58 58 LEU C C 58 177.650 178.107 -0.457 1
1 603 . 18 1 1 A 58 58 LEU CA C 58 57.726 56.705 1.021 1
1 604 . 18 1 1 A 58 58 LEU CB C 58 40.656 41.127 -0.471 1
1 608 . 18 1 1 A 58 58 LEU N N 58 124.058 121.840 2.218 1
1 609 . 18 1 1 A 59 59 ILE H H 59 8.281 7.963 0.318 1
1 610 . 18 1 1 A 59 59 ILE HA H 59 3.686 3.421 0.265 1
1 620 . 18 1 1 A 59 59 ILE C C 59 179.220 177.884 1.336 1
1 621 . 18 1 1 A 59 59 ILE CA C 59 64.389 64.850 -0.461 1
1 622 . 18 1 1 A 59 59 ILE CB C 59 37.545 37.507 0.038 1
1 626 . 18 1 1 A 59 59 ILE N N 59 119.575 120.200 -0.625 1
1 627 . 18 1 1 A 60 60 ASN H H 60 7.677 8.192 -0.515 1
1 628 . 18 1 1 A 60 60 ASN HA H 60 4.326 4.422 -0.096 1
1 633 . 18 1 1 A 60 60 ASN C C 60 177.688 177.183 0.505 1
1 634 . 18 1 1 A 60 60 ASN CA C 60 56.183 55.729 0.454 1
1 635 . 18 1 1 A 60 60 ASN CB C 60 38.549 38.799 -0.250 1
1 636 . 18 1 1 A 60 60 ASN N N 60 116.791 118.831 -2.040 1
1 638 . 18 1 1 A 61 61 HIS H H 61 7.526 7.720 -0.194 1
1 639 . 18 1 1 A 61 61 HIS HA H 61 4.172 4.299 -0.127 1
1 643 . 18 1 1 A 61 61 HIS C C 61 176.063 176.030 0.033 1
1 644 . 18 1 1 A 61 61 HIS CA C 61 58.924 57.645 1.279 1
1 645 . 18 1 1 A 61 61 HIS CB C 61 29.110 30.320 -1.210 1
1 647 . 18 1 1 A 61 61 HIS N N 61 119.310 118.890 0.420 1
1 648 . 18 1 1 A 62 62 GLN H H 62 8.345 7.994 0.351 1
1 649 . 18 1 1 A 62 62 GLN HA H 62 3.631 4.206 -0.575 1
1 656 . 18 1 1 A 62 62 GLN C C 62 177.302 177.909 -0.607 1
1 657 . 18 1 1 A 62 62 GLN CA C 62 59.260 56.669 2.591 1
1 658 . 18 1 1 A 62 62 GLN CB C 62 28.161 29.772 -1.611 1
1 660 . 18 1 1 A 62 62 GLN N N 62 115.573 117.336 -1.763 1
1 662 . 18 1 1 A 63 63 ARG H H 63 7.029 7.935 -0.906 1
1 663 . 18 1 1 A 63 63 ARG HA H 63 4.091 4.039 0.052 1
1 670 . 18 1 1 A 63 63 ARG C C 63 178.257 177.917 0.340 1
1 671 . 18 1 1 A 63 63 ARG CA C 63 58.505 58.519 -0.014 1
1 672 . 18 1 1 A 63 63 ARG CB C 63 30.046 29.452 0.594 1
1 675 . 18 1 1 A 63 63 ARG N N 63 117.521 118.784 -1.263 1
1 676 . 18 1 1 A 64 64 ILE H H 64 7.763 7.407 0.356 1
1 677 . 18 1 1 A 64 64 ILE HA H 64 3.988 3.744 0.244 1
1 687 . 18 1 1 A 64 64 ILE C C 64 177.138 177.919 -0.781 1
1 688 . 18 1 1 A 64 64 ILE CA C 64 62.780 64.162 -1.382 1
1 689 . 18 1 1 A 64 64 ILE CB C 64 37.760 37.428 0.332 1
1 693 . 18 1 1 A 64 64 ILE N N 64 115.601 116.166 -0.565 1
1 694 . 18 1 1 A 65 65 HIS H H 65 7.261 7.507 -0.246 1
1 695 . 18 1 1 A 65 65 HIS HA H 65 4.867 4.266 0.601 1
1 700 . 18 1 1 A 65 65 HIS C C 65 175.314 177.913 -2.599 1
1 701 . 18 1 1 A 65 65 HIS CA C 65 54.927 59.839 -4.912 1
1 702 . 18 1 1 A 65 65 HIS CB C 65 28.723 29.546 -0.823 1
1 705 . 18 1 1 A 65 65 HIS N N 65 118.018 121.150 -3.132 1
1 706 . 18 1 1 A 66 66 THR H H 66 7.717 8.055 -0.338 1
1 707 . 18 1 1 A 66 66 THR HA H 66 4.433 4.163 0.270 1
1 712 . 18 1 1 A 66 66 THR C C 66 174.569 175.026 -0.457 1
1 713 . 18 1 1 A 66 66 THR CA C 66 61.984 65.399 -3.415 1
1 714 . 18 1 1 A 66 66 THR CB C 66 69.832 68.391 1.441 1
1 716 . 18 1 1 A 66 66 THR N N 66 112.598 113.929 -1.331 1
1 717 . 18 1 1 A 67 67 SER H H 67 8.272 7.464 0.808 1
1 718 . 18 1 1 A 67 67 SER HA H 67 4.540 4.322 0.218 1
1 721 . 18 1 1 A 67 67 SER C C 67 174.531 174.841 -0.310 1
1 722 . 18 1 1 A 67 67 SER CA C 67 58.517 59.330 -0.813 1
1 723 . 18 1 1 A 67 67 SER CB C 67 64.041 64.017 0.024 1
1 724 . 18 1 1 A 67 67 SER N N 67 117.832 118.166 -0.334 1
1 725 . 18 1 1 A 68 68 GLY H H 68 8.223 8.594 -0.371 1
1 726 . 18 1 1 A 68 68 GLY HA2 H 68 4.153 3.841 0.312 1
1 727 . 18 1 1 A 68 68 GLY HA3 H 68 4.101 3.843 0.258 1
1 728 . 18 1 1 A 68 68 GLY C C 68 171.817 173.314 -1.497 1
1 729 . 18 1 1 A 68 68 GLY CA C 68 44.704 46.271 -1.567 1
1 730 . 18 1 1 A 68 68 GLY N N 68 110.671 112.627 -1.956 1
1 731 . 18 1 1 A 69 69 PRO HA H 69 4.469 4.536 -0.067 1
1 738 . 18 1 1 A 69 69 PRO CA C 69 63.244 62.455 0.789 1
1 739 . 18 1 1 A 69 69 PRO CB C 69 32.208 32.367 -0.159 1
1 1 . 19 1 1 A 7 7 GLY HA2 H 7 3.957 4.138 -0.181 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.957 4.185 -0.228 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.124 171.960 2.164 1
1 4 . 19 1 1 A 7 7 GLY CA C 7 45.359 45.778 -0.419 1
1 5 . 19 1 1 A 8 8 ILE H H 8 7.939 8.428 -0.489 1
1 6 . 19 1 1 A 8 8 ILE HA H 8 4.106 4.941 -0.835 1
1 16 . 19 1 1 A 8 8 ILE C C 8 176.213 174.842 1.371 1
1 17 . 19 1 1 A 8 8 ILE CA C 8 61.378 59.438 1.940 1
1 18 . 19 1 1 A 8 8 ILE CB C 8 38.603 42.257 -3.654 1
1 22 . 19 1 1 A 8 8 ILE N N 8 119.652 123.643 -3.991 1
1 23 . 19 1 1 A 9 9 HIS H H 9 8.409 8.901 -0.492 1
1 24 . 19 1 1 A 9 9 HIS C C 9 175.436 173.545 1.891 1
1 25 . 19 1 1 A 9 9 HIS CA C 9 56.065 54.419 1.646 1
1 26 . 19 1 1 A 9 9 HIS CB C 9 30.677 31.168 -0.491 1
1 27 . 19 1 1 A 9 9 HIS N N 9 123.607 124.270 -0.663 1
1 28 . 19 1 1 A 10 10 SER HA H 10 4.484 4.818 -0.334 1
1 31 . 19 1 1 A 10 10 SER C C 10 174.981 173.399 1.582 1
1 32 . 19 1 1 A 10 10 SER CA C 10 58.621 56.782 1.839 1
1 33 . 19 1 1 A 10 10 SER CB C 10 63.732 63.974 -0.242 1
1 34 . 19 1 1 A 11 11 GLY H H 11 8.447 9.002 -0.555 1
1 35 . 19 1 1 A 11 11 GLY HA2 H 11 3.936 4.211 -0.275 1
1 36 . 19 1 1 A 11 11 GLY HA3 H 11 3.936 4.217 -0.281 1
1 37 . 19 1 1 A 11 11 GLY C C 11 174.112 174.024 0.088 1
1 38 . 19 1 1 A 11 11 GLY CA C 11 45.292 45.584 -0.292 1
1 39 . 19 1 1 A 11 11 GLY N N 11 110.887 114.726 -3.839 1
1 40 . 19 1 1 A 12 12 GLU H H 12 8.200 8.570 -0.370 1
1 41 . 19 1 1 A 12 12 GLU HA H 12 4.174 4.275 -0.101 1
1 46 . 19 1 1 A 12 12 GLU C C 12 176.545 176.411 0.134 1
1 47 . 19 1 1 A 12 12 GLU CA C 12 56.962 56.525 0.437 1
1 48 . 19 1 1 A 12 12 GLU CB C 12 30.388 30.127 0.261 1
1 50 . 19 1 1 A 12 12 GLU N N 12 120.059 122.734 -2.675 1
1 51 . 19 1 1 A 13 13 LYS H H 13 8.280 8.526 -0.246 1
1 52 . 19 1 1 A 13 13 LYS HA H 13 4.434 4.973 -0.539 1
1 61 . 19 1 1 A 13 13 LYS C C 13 173.760 175.685 -1.925 1
1 62 . 19 1 1 A 13 13 LYS CA C 13 53.742 53.070 0.672 1
1 63 . 19 1 1 A 13 13 LYS CB C 13 33.067 32.886 0.181 1
1 67 . 19 1 1 A 13 13 LYS N N 13 121.235 123.867 -2.632 1
1 68 . 19 1 1 A 14 14 PRO HA H 14 4.268 4.560 -0.292 1
1 75 . 19 1 1 A 14 14 PRO C C 14 176.391 175.802 0.589 1
1 76 . 19 1 1 A 14 14 PRO CA C 14 63.473 64.201 -0.728 1
1 77 . 19 1 1 A 14 14 PRO CB C 14 32.243 31.664 0.579 1
1 80 . 19 1 1 A 15 15 TYR H H 15 7.898 7.596 0.302 1
1 81 . 19 1 1 A 15 15 TYR HA H 15 4.609 5.120 -0.511 1
1 88 . 19 1 1 A 15 15 TYR C C 15 175.259 174.979 0.280 1
1 89 . 19 1 1 A 15 15 TYR CA C 15 57.252 56.087 1.165 1
1 90 . 19 1 1 A 15 15 TYR CB C 15 37.800 40.006 -2.206 1
1 95 . 19 1 1 A 15 15 TYR N N 15 118.120 119.300 -1.180 1
1 96 . 19 1 1 A 16 16 GLY H H 16 8.420 9.008 -0.588 1
1 97 . 19 1 1 A 16 16 GLY HA2 H 16 4.634 4.389 0.245 1
1 98 . 19 1 1 A 16 16 GLY HA3 H 16 3.568 4.417 -0.849 1
1 99 . 19 1 1 A 16 16 GLY C C 16 172.667 175.126 -2.459 1
1 100 . 19 1 1 A 16 16 GLY CA C 16 44.599 44.327 0.272 1
1 101 . 19 1 1 A 16 16 GLY N N 16 111.924 111.488 0.436 1
1 102 . 19 1 1 A 17 17 CYS H H 17 9.142 9.571 -0.429 1
1 103 . 19 1 1 A 17 17 CYS HA H 17 4.712 4.327 0.385 1
1 106 . 19 1 1 A 17 17 CYS C C 17 177.696 174.813 2.883 1
1 107 . 19 1 1 A 17 17 CYS CA C 17 58.694 62.348 -3.654 1
1 108 . 19 1 1 A 17 17 CYS CB C 17 29.770 27.800 1.970 1
1 109 . 19 1 1 A 17 17 CYS N N 17 125.008 121.499 3.509 1
1 110 . 19 1 1 A 18 18 VAL H H 18 9.089 8.004 1.085 1
1 111 . 19 1 1 A 18 18 VAL HA H 18 4.003 3.804 0.199 1
1 119 . 19 1 1 A 18 18 VAL C C 18 176.506 175.942 0.564 1
1 120 . 19 1 1 A 18 18 VAL CA C 18 64.407 63.303 1.104 1
1 121 . 19 1 1 A 18 18 VAL CB C 18 31.744 30.632 1.112 1
1 124 . 19 1 1 A 18 18 VAL N N 18 129.598 119.453 10.145 1
1 125 . 19 1 1 A 19 19 GLU H H 19 8.413 8.339 0.074 1
1 126 . 19 1 1 A 19 19 GLU HA H 19 4.187 4.466 -0.279 1
1 131 . 19 1 1 A 19 19 GLU C C 19 177.385 177.702 -0.317 1
1 132 . 19 1 1 A 19 19 GLU CA C 19 58.535 57.097 1.438 1
1 133 . 19 1 1 A 19 19 GLU CB C 19 29.358 32.412 -3.054 1
1 135 . 19 1 1 A 19 19 GLU N N 19 121.264 120.159 1.105 1
1 136 . 19 1 1 A 20 20 CYS H H 20 7.854 8.057 -0.203 1
1 137 . 19 1 1 A 20 20 CYS HA H 20 5.142 4.610 0.532 1
1 140 . 19 1 1 A 20 20 CYS C C 20 176.237 175.764 0.473 1
1 141 . 19 1 1 A 20 20 CYS CA C 20 58.341 58.758 -0.417 1
1 142 . 19 1 1 A 20 20 CYS CB C 20 32.531 30.358 2.173 1
1 143 . 19 1 1 A 20 20 CYS N N 20 113.736 114.505 -0.769 1
1 144 . 19 1 1 A 21 21 GLY H H 21 8.281 8.637 -0.356 1
1 145 . 19 1 1 A 21 21 GLY HA2 H 21 4.216 3.990 0.226 1
1 146 . 19 1 1 A 21 21 GLY HA3 H 21 3.784 3.995 -0.211 1
1 147 . 19 1 1 A 21 21 GLY C C 21 174.288 174.225 0.063 1
1 148 . 19 1 1 A 21 21 GLY CA C 21 46.159 45.625 0.534 1
1 149 . 19 1 1 A 21 21 GLY N N 21 113.574 110.727 2.847 1
1 150 . 19 1 1 A 22 22 LYS H H 22 7.891 7.880 0.011 1
1 151 . 19 1 1 A 22 22 LYS HA H 22 3.989 4.285 -0.296 1
1 160 . 19 1 1 A 22 22 LYS C C 22 173.452 174.741 -1.289 1
1 161 . 19 1 1 A 22 22 LYS CA C 22 57.789 55.047 2.742 1
1 162 . 19 1 1 A 22 22 LYS CB C 22 34.125 34.114 0.011 1
1 166 . 19 1 1 A 22 22 LYS N N 22 122.877 119.706 3.171 1
1 167 . 19 1 1 A 23 23 ALA H H 23 7.645 8.663 -1.018 1
1 168 . 19 1 1 A 23 23 ALA HA H 23 4.925 5.304 -0.379 1
1 172 . 19 1 1 A 23 23 ALA C C 23 175.868 176.135 -0.267 1
1 173 . 19 1 1 A 23 23 ALA CA C 23 50.523 50.346 0.177 1
1 174 . 19 1 1 A 23 23 ALA CB C 23 22.145 21.424 0.721 1
1 175 . 19 1 1 A 23 23 ALA N N 23 122.280 128.409 -6.129 1
1 176 . 19 1 1 A 24 24 PHE H H 24 8.337 9.104 -0.767 1
1 177 . 19 1 1 A 24 24 PHE HA H 24 4.890 4.873 0.017 1
1 185 . 19 1 1 A 24 24 PHE C C 24 175.994 175.818 0.176 1
1 186 . 19 1 1 A 24 24 PHE CA C 24 56.926 56.788 0.138 1
1 187 . 19 1 1 A 24 24 PHE CB C 24 43.626 41.982 1.644 1
1 193 . 19 1 1 A 24 24 PHE N N 24 116.352 118.283 -1.931 1
1 194 . 19 1 1 A 25 25 SER H H 25 9.344 8.989 0.355 1
1 195 . 19 1 1 A 25 25 SER HA H 25 4.612 4.368 0.244 1
1 198 . 19 1 1 A 25 25 SER C C 25 174.148 173.835 0.313 1
1 199 . 19 1 1 A 25 25 SER CA C 25 60.554 61.276 -0.722 1
1 200 . 19 1 1 A 25 25 SER CB C 25 64.329 62.885 1.444 1
1 201 . 19 1 1 A 25 25 SER N N 25 115.148 119.263 -4.115 1
1 202 . 19 1 1 A 26 26 ARG H H 26 7.040 8.052 -1.012 1
1 203 . 19 1 1 A 26 26 ARG HA H 26 4.719 4.644 0.075 1
1 210 . 19 1 1 A 26 26 ARG C C 26 176.116 176.259 -0.143 1
1 211 . 19 1 1 A 26 26 ARG CA C 26 54.417 54.440 -0.023 1
1 212 . 19 1 1 A 26 26 ARG CB C 26 34.587 31.825 2.762 1
1 215 . 19 1 1 A 26 26 ARG N N 26 115.877 119.623 -3.746 1
1 216 . 19 1 1 A 27 27 SER H H 27 8.441 8.769 -0.328 1
1 217 . 19 1 1 A 27 27 SER HA H 27 3.278 3.762 -0.484 1
1 220 . 19 1 1 A 27 27 SER CA C 27 61.160 60.757 0.403 1
1 221 . 19 1 1 A 27 27 SER CB C 27 61.910 62.105 -0.195 1
1 222 . 19 1 1 A 27 27 SER N N 27 120.683 118.218 2.465 1
1 223 . 19 1 1 A 28 28 SER HA H 28 3.969 4.132 -0.163 1
1 226 . 19 1 1 A 28 28 SER C C 28 176.640 177.188 -0.548 1
1 227 . 19 1 1 A 28 28 SER CA C 28 61.029 61.834 -0.805 1
1 228 . 19 1 1 A 28 28 SER CB C 28 61.506 62.394 -0.888 1
1 229 . 19 1 1 A 29 29 ILE H H 29 6.628 7.717 -1.089 1
1 230 . 19 1 1 A 29 29 ILE HA H 29 3.725 3.437 0.288 1
1 240 . 19 1 1 A 29 29 ILE C C 29 178.108 177.621 0.487 1
1 241 . 19 1 1 A 29 29 ILE CA C 29 63.470 64.324 -0.854 1
1 242 . 19 1 1 A 29 29 ILE CB C 29 38.013 37.782 0.231 1
1 246 . 19 1 1 A 29 29 ILE N N 29 122.549 123.045 -0.496 1
1 247 . 19 1 1 A 30 30 LEU H H 30 7.003 8.056 -1.053 1
1 248 . 19 1 1 A 30 30 LEU HA H 30 3.511 3.377 0.134 1
1 258 . 19 1 1 A 30 30 LEU C C 30 177.880 178.610 -0.730 1
1 259 . 19 1 1 A 30 30 LEU CA C 30 58.394 58.298 0.096 1
1 260 . 19 1 1 A 30 30 LEU CB C 30 40.239 42.224 -1.985 1
1 264 . 19 1 1 A 30 30 LEU N N 30 122.518 121.144 1.374 1
1 265 . 19 1 1 A 31 31 VAL H H 31 8.203 8.138 0.065 1
1 266 . 19 1 1 A 31 31 VAL HA H 31 3.709 3.625 0.084 1
1 274 . 19 1 1 A 31 31 VAL C C 31 179.070 177.439 1.631 1
1 275 . 19 1 1 A 31 31 VAL CA C 31 66.618 67.150 -0.532 1
1 276 . 19 1 1 A 31 31 VAL CB C 31 31.624 31.454 0.170 1
1 279 . 19 1 1 A 31 31 VAL N N 31 118.600 119.538 -0.938 1
1 280 . 19 1 1 A 32 32 GLN H H 32 7.323 7.962 -0.639 1
1 281 . 19 1 1 A 32 32 GLN HA H 32 3.927 4.025 -0.098 1
1 288 . 19 1 1 A 32 32 GLN C C 32 178.751 177.077 1.674 1
1 289 . 19 1 1 A 32 32 GLN CA C 32 58.772 58.374 0.398 1
1 290 . 19 1 1 A 32 32 GLN CB C 32 28.368 28.643 -0.275 1
1 292 . 19 1 1 A 32 32 GLN N N 32 118.113 117.979 0.134 1
1 294 . 19 1 1 A 33 33 HIS H H 33 8.046 8.190 -0.144 1
1 295 . 19 1 1 A 33 33 HIS HA H 33 4.148 4.218 -0.070 1
1 300 . 19 1 1 A 33 33 HIS C C 33 176.164 177.205 -1.041 1
1 301 . 19 1 1 A 33 33 HIS CA C 33 59.033 57.844 1.189 1
1 302 . 19 1 1 A 33 33 HIS CB C 33 27.726 30.409 -2.683 1
1 305 . 19 1 1 A 33 33 HIS N N 33 120.097 120.871 -0.774 1
1 306 . 19 1 1 A 34 34 GLN H H 34 8.348 7.888 0.460 1
1 307 . 19 1 1 A 34 34 GLN HA H 34 3.630 4.219 -0.589 1
1 314 . 19 1 1 A 34 34 GLN C C 34 177.457 178.587 -1.130 1
1 315 . 19 1 1 A 34 34 GLN CA C 34 59.367 58.580 0.787 1
1 316 . 19 1 1 A 34 34 GLN CB C 34 28.158 29.111 -0.953 1
1 318 . 19 1 1 A 34 34 GLN N N 34 115.621 118.154 -2.533 1
1 320 . 19 1 1 A 35 35 ARG H H 35 7.167 7.864 -0.697 1
1 321 . 19 1 1 A 35 35 ARG HA H 35 4.094 4.108 -0.014 1
1 328 . 19 1 1 A 35 35 ARG C C 35 178.544 177.586 0.958 1
1 329 . 19 1 1 A 35 35 ARG CA C 35 58.553 58.651 -0.098 1
1 330 . 19 1 1 A 35 35 ARG CB C 35 30.016 29.825 0.191 1
1 333 . 19 1 1 A 35 35 ARG N N 35 117.694 118.912 -1.218 1
1 334 . 19 1 1 A 36 36 VAL H H 36 7.878 7.575 0.303 1
1 335 . 19 1 1 A 36 36 VAL HA H 36 3.885 3.774 0.111 1
1 343 . 19 1 1 A 36 36 VAL C C 36 177.246 176.518 0.728 1
1 344 . 19 1 1 A 36 36 VAL CA C 36 63.924 64.738 -0.814 1
1 345 . 19 1 1 A 36 36 VAL CB C 36 31.137 31.137 0.000 1
1 348 . 19 1 1 A 36 36 VAL N N 36 116.056 115.217 0.839 1
1 349 . 19 1 1 A 37 37 HIS H H 37 7.151 8.018 -0.867 1
1 350 . 19 1 1 A 37 37 HIS HA H 37 4.877 4.627 0.250 1
1 355 . 19 1 1 A 37 37 HIS C C 37 175.769 174.657 1.112 1
1 356 . 19 1 1 A 37 37 HIS CA C 37 55.034 55.884 -0.850 1
1 357 . 19 1 1 A 37 37 HIS CB C 37 28.415 29.684 -1.269 1
1 360 . 19 1 1 A 37 37 HIS N N 37 117.486 119.339 -1.853 1
1 361 . 19 1 1 A 38 38 THR H H 38 7.769 7.405 0.364 1
1 362 . 19 1 1 A 38 38 THR HA H 38 4.288 4.512 -0.224 1
1 367 . 19 1 1 A 38 38 THR C C 38 175.391 172.082 3.309 1
1 368 . 19 1 1 A 38 38 THR CA C 38 62.697 61.310 1.387 1
1 369 . 19 1 1 A 38 38 THR CB C 38 69.738 71.578 -1.840 1
1 371 . 19 1 1 A 38 38 THR N N 38 112.779 113.502 -0.723 1
1 372 . 19 1 1 A 39 39 GLY H H 39 8.251 8.983 -0.732 1
1 373 . 19 1 1 A 39 39 GLY HA2 H 39 3.994 4.090 -0.096 1
1 374 . 19 1 1 A 39 39 GLY HA3 H 39 3.920 4.091 -0.171 1
1 375 . 19 1 1 A 39 39 GLY C C 39 174.076 174.361 -0.285 1
1 376 . 19 1 1 A 39 39 GLY CA C 39 45.288 46.086 -0.798 1
1 377 . 19 1 1 A 39 39 GLY N N 39 110.331 115.744 -5.413 1
1 378 . 19 1 1 A 40 40 GLU H H 40 8.076 8.659 -0.583 1
1 379 . 19 1 1 A 40 40 GLU HA H 40 4.139 4.595 -0.456 1
1 384 . 19 1 1 A 40 40 GLU C C 40 176.602 175.703 0.899 1
1 385 . 19 1 1 A 40 40 GLU CA C 40 56.915 55.703 1.212 1
1 386 . 19 1 1 A 40 40 GLU CB C 40 30.414 29.971 0.443 1
1 388 . 19 1 1 A 40 40 GLU N N 40 120.155 123.446 -3.291 1
1 389 . 19 1 1 A 41 41 LYS H H 41 8.274 7.478 0.796 1
1 390 . 19 1 1 A 41 41 LYS HA H 41 4.496 4.841 -0.345 1
1 399 . 19 1 1 A 41 41 LYS C C 41 173.906 174.881 -0.975 1
1 400 . 19 1 1 A 41 41 LYS CA C 41 53.865 53.764 0.101 1
1 401 . 19 1 1 A 41 41 LYS CB C 41 33.372 33.079 0.293 1
1 405 . 19 1 1 A 41 41 LYS N N 41 121.689 120.182 1.507 1
1 406 . 19 1 1 A 42 42 PRO HA H 42 4.253 4.451 -0.198 1
1 413 . 19 1 1 A 42 42 PRO C C 42 176.660 175.733 0.927 1
1 414 . 19 1 1 A 42 42 PRO CA C 42 63.718 64.256 -0.538 1
1 415 . 19 1 1 A 42 42 PRO CB C 42 32.320 31.347 0.973 1
1 418 . 19 1 1 A 43 43 TYR H H 43 7.693 7.632 0.061 1
1 419 . 19 1 1 A 43 43 TYR HA H 43 4.600 4.920 -0.320 1
1 426 . 19 1 1 A 43 43 TYR C C 43 174.460 174.489 -0.029 1
1 427 . 19 1 1 A 43 43 TYR CA C 43 57.722 56.914 0.808 1
1 428 . 19 1 1 A 43 43 TYR CB C 43 37.840 39.033 -1.193 1
1 433 . 19 1 1 A 43 43 TYR N N 43 118.327 118.706 -0.379 1
1 434 . 19 1 1 A 44 44 LYS H H 44 8.335 9.083 -0.748 1
1 435 . 19 1 1 A 44 44 LYS HA H 44 4.826 5.601 -0.775 1
1 444 . 19 1 1 A 44 44 LYS C C 44 174.679 175.472 -0.793 1
1 445 . 19 1 1 A 44 44 LYS CA C 44 55.423 54.438 0.985 1
1 446 . 19 1 1 A 44 44 LYS CB C 44 35.380 36.078 -0.698 1
1 450 . 19 1 1 A 44 44 LYS N N 44 125.187 125.610 -0.423 1
1 451 . 19 1 1 A 45 45 CYS H H 45 9.250 9.443 -0.193 1
1 452 . 19 1 1 A 45 45 CYS HA H 45 4.536 4.955 -0.419 1
1 455 . 19 1 1 A 45 45 CYS C C 45 177.400 174.746 2.654 1
1 456 . 19 1 1 A 45 45 CYS CA C 45 59.384 58.486 0.898 1
1 457 . 19 1 1 A 45 45 CYS CB C 45 29.482 29.471 0.011 1
1 458 . 19 1 1 A 45 45 CYS N N 45 126.431 124.424 2.007 1
1 459 . 19 1 1 A 46 46 LEU H H 46 9.297 8.070 1.227 1
1 460 . 19 1 1 A 46 46 LEU HA H 46 4.192 4.379 -0.187 1
1 470 . 19 1 1 A 46 46 LEU C C 46 177.806 178.106 -0.300 1
1 471 . 19 1 1 A 46 46 LEU CA C 46 56.944 55.291 1.653 1
1 472 . 19 1 1 A 46 46 LEU CB C 46 41.269 42.098 -0.829 1
1 476 . 19 1 1 A 46 46 LEU N N 46 132.501 130.250 2.251 1
1 477 . 19 1 1 A 47 47 GLU H H 47 8.568 7.805 0.763 1
1 478 . 19 1 1 A 47 47 GLU HA H 47 4.161 4.003 0.158 1
1 483 . 19 1 1 A 47 47 GLU C C 47 177.358 178.161 -0.803 1
1 484 . 19 1 1 A 47 47 GLU CA C 47 58.545 59.132 -0.587 1
1 485 . 19 1 1 A 47 47 GLU CB C 47 29.500 29.012 0.488 1
1 487 . 19 1 1 A 47 47 GLU N N 47 120.165 119.679 0.486 1
1 488 . 19 1 1 A 48 48 CYS H H 48 7.979 7.258 0.721 1
1 489 . 19 1 1 A 48 48 CYS HA H 48 5.182 4.533 0.649 1
1 492 . 19 1 1 A 48 48 CYS C C 48 176.224 175.342 0.882 1
1 493 . 19 1 1 A 48 48 CYS CA C 48 58.210 59.471 -1.261 1
1 494 . 19 1 1 A 48 48 CYS CB C 48 32.531 29.779 2.752 1
1 495 . 19 1 1 A 48 48 CYS N N 48 114.531 114.811 -0.280 1
1 496 . 19 1 1 A 49 49 GLY H H 49 8.156 8.352 -0.196 1
1 497 . 19 1 1 A 49 49 GLY HA2 H 49 4.273 4.067 0.206 1
1 498 . 19 1 1 A 49 49 GLY HA3 H 49 3.771 4.098 -0.327 1
1 499 . 19 1 1 A 49 49 GLY C C 49 173.907 173.430 0.477 1
1 500 . 19 1 1 A 49 49 GLY CA C 49 46.207 45.432 0.775 1
1 501 . 19 1 1 A 49 49 GLY N N 49 113.613 109.530 4.083 1
1 502 . 19 1 1 A 50 50 LYS H H 50 7.961 8.327 -0.366 1
1 503 . 19 1 1 A 50 50 LYS HA H 50 3.936 4.833 -0.897 1
1 512 . 19 1 1 A 50 50 LYS C C 50 173.571 173.942 -0.371 1
1 513 . 19 1 1 A 50 50 LYS CA C 50 58.199 55.305 2.894 1
1 514 . 19 1 1 A 50 50 LYS CB C 50 33.479 36.296 -2.817 1
1 518 . 19 1 1 A 50 50 LYS N N 50 123.259 124.304 -1.045 1
1 519 . 19 1 1 A 51 51 ALA H H 51 7.740 8.417 -0.677 1
1 520 . 19 1 1 A 51 51 ALA HA H 51 5.179 5.795 -0.616 1
1 524 . 19 1 1 A 51 51 ALA C C 51 175.844 175.864 -0.020 1
1 525 . 19 1 1 A 51 51 ALA CA C 51 50.329 49.834 0.495 1
1 526 . 19 1 1 A 51 51 ALA CB C 51 22.741 22.806 -0.065 1
1 527 . 19 1 1 A 51 51 ALA N N 51 123.792 126.694 -2.902 1
1 528 . 19 1 1 A 52 52 PHE H H 52 8.698 8.989 -0.291 1
1 529 . 19 1 1 A 52 52 PHE HA H 52 4.653 4.930 -0.277 1
1 537 . 19 1 1 A 52 52 PHE C C 52 175.640 176.057 -0.417 1
1 538 . 19 1 1 A 52 52 PHE CA C 52 57.636 56.940 0.696 1
1 539 . 19 1 1 A 52 52 PHE CB C 52 43.314 41.868 1.446 1
1 545 . 19 1 1 A 52 52 PHE N N 52 116.792 118.624 -1.832 1
1 546 . 19 1 1 A 53 53 SER H H 53 9.246 8.801 0.445 1
1 547 . 19 1 1 A 53 53 SER HA H 53 4.627 4.728 -0.101 1
1 550 . 19 1 1 A 53 53 SER C C 53 173.837 175.228 -1.391 1
1 551 . 19 1 1 A 53 53 SER CA C 53 60.959 62.037 -1.078 1
1 552 . 19 1 1 A 53 53 SER CB C 53 64.077 63.028 1.049 1
1 553 . 19 1 1 A 53 53 SER N N 53 116.932 117.897 -0.965 1
1 554 . 19 1 1 A 54 54 GLN H H 54 7.873 8.156 -0.283 1
1 555 . 19 1 1 A 54 54 GLN HA H 54 4.774 4.732 0.042 1
1 562 . 19 1 1 A 54 54 GLN C C 54 176.112 175.618 0.494 1
1 563 . 19 1 1 A 54 54 GLN CA C 54 53.972 54.310 -0.338 1
1 564 . 19 1 1 A 54 54 GLN CB C 54 32.160 31.422 0.738 1
1 566 . 19 1 1 A 54 54 GLN N N 54 116.030 118.504 -2.474 1
1 568 . 19 1 1 A 55 55 ASN H H 55 8.494 8.415 0.079 1
1 569 . 19 1 1 A 55 55 ASN HA H 55 3.540 3.759 -0.219 1
1 574 . 19 1 1 A 55 55 ASN C C 55 177.306 176.947 0.359 1
1 575 . 19 1 1 A 55 55 ASN CA C 55 56.094 55.784 0.310 1
1 576 . 19 1 1 A 55 55 ASN CB C 55 38.260 37.861 0.399 1
1 577 . 19 1 1 A 55 55 ASN N N 55 124.248 121.905 2.343 1
1 579 . 19 1 1 A 56 56 SER HA H 56 3.867 4.098 -0.231 1
1 582 . 19 1 1 A 56 56 SER C C 56 176.822 176.974 -0.152 1
1 583 . 19 1 1 A 56 56 SER CA C 56 60.888 62.269 -1.381 1
1 584 . 19 1 1 A 56 56 SER CB C 56 61.588 62.901 -1.313 1
1 585 . 19 1 1 A 57 57 GLY H H 57 7.104 8.236 -1.132 1
1 586 . 19 1 1 A 57 57 GLY HA2 H 57 3.893 3.703 0.190 1
1 587 . 19 1 1 A 57 57 GLY HA3 H 57 3.718 3.733 -0.015 1
1 588 . 19 1 1 A 57 57 GLY C C 57 175.641 175.271 0.370 1
1 589 . 19 1 1 A 57 57 GLY CA C 57 46.508 46.905 -0.397 1
1 590 . 19 1 1 A 57 57 GLY N N 57 109.816 108.807 1.009 1
1 591 . 19 1 1 A 58 58 LEU H H 58 6.781 7.510 -0.729 1
1 592 . 19 1 1 A 58 58 LEU HA H 58 3.288 2.726 0.562 1
1 602 . 19 1 1 A 58 58 LEU C C 58 177.650 178.031 -0.381 1
1 603 . 19 1 1 A 58 58 LEU CA C 58 57.726 56.673 1.053 1
1 604 . 19 1 1 A 58 58 LEU CB C 58 40.656 41.079 -0.423 1
1 608 . 19 1 1 A 58 58 LEU N N 58 124.058 122.010 2.048 1
1 609 . 19 1 1 A 59 59 ILE H H 59 8.281 8.157 0.124 1
1 610 . 19 1 1 A 59 59 ILE HA H 59 3.686 3.410 0.276 1
1 620 . 19 1 1 A 59 59 ILE C C 59 179.220 177.966 1.254 1
1 621 . 19 1 1 A 59 59 ILE CA C 59 64.389 65.726 -1.337 1
1 622 . 19 1 1 A 59 59 ILE CB C 59 37.545 37.683 -0.138 1
1 626 . 19 1 1 A 59 59 ILE N N 59 119.575 119.955 -0.380 1
1 627 . 19 1 1 A 60 60 ASN H H 60 7.677 8.205 -0.528 1
1 628 . 19 1 1 A 60 60 ASN HA H 60 4.326 4.423 -0.097 1
1 633 . 19 1 1 A 60 60 ASN C C 60 177.688 177.162 0.526 1
1 634 . 19 1 1 A 60 60 ASN CA C 60 56.183 55.892 0.291 1
1 635 . 19 1 1 A 60 60 ASN CB C 60 38.549 38.951 -0.402 1
1 636 . 19 1 1 A 60 60 ASN N N 60 116.791 118.749 -1.958 1
1 638 . 19 1 1 A 61 61 HIS H H 61 7.526 7.698 -0.172 1
1 639 . 19 1 1 A 61 61 HIS HA H 61 4.172 4.180 -0.008 1
1 643 . 19 1 1 A 61 61 HIS C C 61 176.063 176.794 -0.731 1
1 644 . 19 1 1 A 61 61 HIS CA C 61 58.924 58.069 0.855 1
1 645 . 19 1 1 A 61 61 HIS CB C 61 29.110 30.394 -1.284 1
1 647 . 19 1 1 A 61 61 HIS N N 61 119.310 118.892 0.418 1
1 648 . 19 1 1 A 62 62 GLN H H 62 8.345 7.755 0.590 1
1 649 . 19 1 1 A 62 62 GLN HA H 62 3.631 4.130 -0.499 1
1 656 . 19 1 1 A 62 62 GLN C C 62 177.302 178.441 -1.139 1
1 657 . 19 1 1 A 62 62 GLN CA C 62 59.260 57.479 1.781 1
1 658 . 19 1 1 A 62 62 GLN CB C 62 28.161 29.362 -1.201 1
1 660 . 19 1 1 A 62 62 GLN N N 62 115.573 118.322 -2.749 1
1 662 . 19 1 1 A 63 63 ARG H H 63 7.029 8.328 -1.299 1
1 663 . 19 1 1 A 63 63 ARG HA H 63 4.091 3.993 0.098 1
1 670 . 19 1 1 A 63 63 ARG C C 63 178.257 177.849 0.408 1
1 671 . 19 1 1 A 63 63 ARG CA C 63 58.505 58.706 -0.201 1
1 672 . 19 1 1 A 63 63 ARG CB C 63 30.046 30.207 -0.161 1
1 675 . 19 1 1 A 63 63 ARG N N 63 117.521 118.485 -0.964 1
1 676 . 19 1 1 A 64 64 ILE H H 64 7.763 7.528 0.235 1
1 677 . 19 1 1 A 64 64 ILE HA H 64 3.988 3.720 0.268 1
1 687 . 19 1 1 A 64 64 ILE C C 64 177.138 177.634 -0.496 1
1 688 . 19 1 1 A 64 64 ILE CA C 64 62.780 64.179 -1.399 1
1 689 . 19 1 1 A 64 64 ILE CB C 64 37.760 37.322 0.438 1
1 693 . 19 1 1 A 64 64 ILE N N 64 115.601 116.143 -0.542 1
1 694 . 19 1 1 A 65 65 HIS H H 65 7.261 6.821 0.440 1
1 695 . 19 1 1 A 65 65 HIS HA H 65 4.867 4.379 0.488 1
1 700 . 19 1 1 A 65 65 HIS C C 65 175.314 176.667 -1.353 1
1 701 . 19 1 1 A 65 65 HIS CA C 65 54.927 58.855 -3.928 1
1 702 . 19 1 1 A 65 65 HIS CB C 65 28.723 29.916 -1.193 1
1 705 . 19 1 1 A 65 65 HIS N N 65 118.018 120.353 -2.335 1
1 706 . 19 1 1 A 66 66 THR H H 66 7.717 7.561 0.156 1
1 707 . 19 1 1 A 66 66 THR HA H 66 4.433 4.287 0.146 1
1 712 . 19 1 1 A 66 66 THR C C 66 174.569 174.166 0.403 1
1 713 . 19 1 1 A 66 66 THR CA C 66 61.984 61.139 0.845 1
1 714 . 19 1 1 A 66 66 THR CB C 66 69.832 68.489 1.343 1
1 716 . 19 1 1 A 66 66 THR N N 66 112.598 111.383 1.215 1
1 717 . 19 1 1 A 67 67 SER H H 67 8.272 8.774 -0.502 1
1 718 . 19 1 1 A 67 67 SER HA H 67 4.540 4.582 -0.042 1
1 721 . 19 1 1 A 67 67 SER C C 67 174.531 174.416 0.115 1
1 722 . 19 1 1 A 67 67 SER CA C 67 58.517 58.742 -0.225 1
1 723 . 19 1 1 A 67 67 SER CB C 67 64.041 63.933 0.108 1
1 724 . 19 1 1 A 67 67 SER N N 67 117.832 123.339 -5.507 1
1 725 . 19 1 1 A 68 68 GLY H H 68 8.223 7.294 0.929 1
1 726 . 19 1 1 A 68 68 GLY HA2 H 68 4.153 4.085 0.068 1
1 727 . 19 1 1 A 68 68 GLY HA3 H 68 4.101 4.086 0.015 1
1 728 . 19 1 1 A 68 68 GLY C C 68 171.817 173.977 -2.160 1
1 729 . 19 1 1 A 68 68 GLY CA C 68 44.704 45.212 -0.508 1
1 730 . 19 1 1 A 68 68 GLY N N 68 110.671 107.621 3.050 1
1 731 . 19 1 1 A 69 69 PRO HA H 69 4.469 4.492 -0.023 1
1 738 . 19 1 1 A 69 69 PRO CA C 69 63.244 63.723 -0.479 1
1 739 . 19 1 1 A 69 69 PRO CB C 69 32.208 31.665 0.543 1
1 1 . 20 1 1 A 7 7 GLY HA2 H 7 3.957 4.036 -0.079 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.957 4.037 -0.080 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.124 174.163 -0.039 1
1 4 . 20 1 1 A 7 7 GLY CA C 7 45.359 45.288 0.071 1
1 5 . 20 1 1 A 8 8 ILE H H 8 7.939 7.735 0.204 1
1 6 . 20 1 1 A 8 8 ILE HA H 8 4.106 4.729 -0.623 1
1 16 . 20 1 1 A 8 8 ILE C C 8 176.213 175.615 0.598 1
1 17 . 20 1 1 A 8 8 ILE CA C 8 61.378 59.195 2.183 1
1 18 . 20 1 1 A 8 8 ILE CB C 8 38.603 40.382 -1.779 1
1 22 . 20 1 1 A 8 8 ILE N N 8 119.652 117.628 2.024 1
1 23 . 20 1 1 A 9 9 HIS H H 9 8.409 8.934 -0.525 1
1 24 . 20 1 1 A 9 9 HIS C C 9 175.436 174.293 1.143 1
1 25 . 20 1 1 A 9 9 HIS CA C 9 56.065 55.772 0.293 1
1 26 . 20 1 1 A 9 9 HIS CB C 9 30.677 30.509 0.168 1
1 27 . 20 1 1 A 9 9 HIS N N 9 123.607 121.350 2.257 1
1 28 . 20 1 1 A 10 10 SER HA H 10 4.484 4.819 -0.335 1
1 31 . 20 1 1 A 10 10 SER C C 10 174.981 172.791 2.190 1
1 32 . 20 1 1 A 10 10 SER CA C 10 58.621 57.060 1.561 1
1 33 . 20 1 1 A 10 10 SER CB C 10 63.732 65.375 -1.643 1
1 34 . 20 1 1 A 11 11 GLY H H 11 8.447 8.337 0.110 1
1 35 . 20 1 1 A 11 11 GLY HA2 H 11 3.936 4.120 -0.184 1
1 36 . 20 1 1 A 11 11 GLY HA3 H 11 3.936 4.134 -0.198 1
1 37 . 20 1 1 A 11 11 GLY C C 11 174.112 173.153 0.959 1
1 38 . 20 1 1 A 11 11 GLY CA C 11 45.292 45.651 -0.359 1
1 39 . 20 1 1 A 11 11 GLY N N 11 110.887 111.751 -0.864 1
1 40 . 20 1 1 A 12 12 GLU H H 12 8.200 8.527 -0.327 1
1 41 . 20 1 1 A 12 12 GLU HA H 12 4.174 4.337 -0.163 1
1 46 . 20 1 1 A 12 12 GLU C C 12 176.545 175.915 0.630 1
1 47 . 20 1 1 A 12 12 GLU CA C 12 56.962 55.464 1.498 1
1 48 . 20 1 1 A 12 12 GLU CB C 12 30.388 30.315 0.073 1
1 50 . 20 1 1 A 12 12 GLU N N 12 120.059 124.005 -3.946 1
1 51 . 20 1 1 A 13 13 LYS H H 13 8.280 8.659 -0.379 1
1 52 . 20 1 1 A 13 13 LYS HA H 13 4.434 4.630 -0.196 1
1 61 . 20 1 1 A 13 13 LYS C C 13 173.760 176.572 -2.812 1
1 62 . 20 1 1 A 13 13 LYS CA C 13 53.742 53.313 0.429 1
1 63 . 20 1 1 A 13 13 LYS CB C 13 33.067 32.795 0.272 1
1 67 . 20 1 1 A 13 13 LYS N N 13 121.235 121.918 -0.683 1
1 68 . 20 1 1 A 14 14 PRO HA H 14 4.268 4.608 -0.340 1
1 75 . 20 1 1 A 14 14 PRO C C 14 176.391 175.963 0.428 1
1 76 . 20 1 1 A 14 14 PRO CA C 14 63.473 64.626 -1.153 1
1 77 . 20 1 1 A 14 14 PRO CB C 14 32.243 32.053 0.190 1
1 80 . 20 1 1 A 15 15 TYR H H 15 7.898 7.719 0.179 1
1 81 . 20 1 1 A 15 15 TYR HA H 15 4.609 4.933 -0.324 1
1 88 . 20 1 1 A 15 15 TYR C C 15 175.259 175.618 -0.359 1
1 89 . 20 1 1 A 15 15 TYR CA C 15 57.252 56.723 0.529 1
1 90 . 20 1 1 A 15 15 TYR CB C 15 37.800 40.649 -2.849 1
1 95 . 20 1 1 A 15 15 TYR N N 15 118.120 118.918 -0.798 1
1 96 . 20 1 1 A 16 16 GLY H H 16 8.420 8.721 -0.301 1
1 97 . 20 1 1 A 16 16 GLY HA2 H 16 4.634 4.392 0.242 1
1 98 . 20 1 1 A 16 16 GLY HA3 H 16 3.568 4.397 -0.829 1
1 99 . 20 1 1 A 16 16 GLY C C 16 172.667 172.232 0.435 1
1 100 . 20 1 1 A 16 16 GLY CA C 16 44.599 45.071 -0.472 1
1 101 . 20 1 1 A 16 16 GLY N N 16 111.924 109.137 2.787 1
1 102 . 20 1 1 A 17 17 CYS H H 17 9.142 8.834 0.308 1
1 103 . 20 1 1 A 17 17 CYS HA H 17 4.712 4.930 -0.218 1
1 106 . 20 1 1 A 17 17 CYS C C 17 177.696 174.878 2.818 1
1 107 . 20 1 1 A 17 17 CYS CA C 17 58.694 58.161 0.533 1
1 108 . 20 1 1 A 17 17 CYS CB C 17 29.770 29.550 0.220 1
1 109 . 20 1 1 A 17 17 CYS N N 17 125.008 119.298 5.710 1
1 110 . 20 1 1 A 18 18 VAL H H 18 9.089 8.655 0.434 1
1 111 . 20 1 1 A 18 18 VAL HA H 18 4.003 4.176 -0.173 1
1 119 . 20 1 1 A 18 18 VAL C C 18 176.506 177.763 -1.257 1
1 120 . 20 1 1 A 18 18 VAL CA C 18 64.407 63.980 0.427 1
1 121 . 20 1 1 A 18 18 VAL CB C 18 31.744 33.328 -1.584 1
1 124 . 20 1 1 A 18 18 VAL N N 18 129.598 124.869 4.729 1
1 125 . 20 1 1 A 19 19 GLU H H 19 8.413 7.967 0.446 1
1 126 . 20 1 1 A 19 19 GLU HA H 19 4.187 3.900 0.287 1
1 131 . 20 1 1 A 19 19 GLU C C 19 177.385 177.934 -0.549 1
1 132 . 20 1 1 A 19 19 GLU CA C 19 58.535 59.553 -1.018 1
1 133 . 20 1 1 A 19 19 GLU CB C 19 29.358 29.053 0.305 1
1 135 . 20 1 1 A 19 19 GLU N N 19 121.264 121.877 -0.613 1
1 136 . 20 1 1 A 20 20 CYS H H 20 7.854 7.393 0.461 1
1 137 . 20 1 1 A 20 20 CYS HA H 20 5.142 4.776 0.366 1
1 140 . 20 1 1 A 20 20 CYS C C 20 176.237 175.845 0.392 1
1 141 . 20 1 1 A 20 20 CYS CA C 20 58.341 59.462 -1.121 1
1 142 . 20 1 1 A 20 20 CYS CB C 20 32.531 30.214 2.317 1
1 143 . 20 1 1 A 20 20 CYS N N 20 113.736 114.121 -0.385 1
1 144 . 20 1 1 A 21 21 GLY H H 21 8.281 8.143 0.138 1
1 145 . 20 1 1 A 21 21 GLY HA2 H 21 4.216 4.076 0.140 1
1 146 . 20 1 1 A 21 21 GLY HA3 H 21 3.784 4.081 -0.297 1
1 147 . 20 1 1 A 21 21 GLY C C 21 174.288 174.360 -0.072 1
1 148 . 20 1 1 A 21 21 GLY CA C 21 46.159 45.011 1.148 1
1 149 . 20 1 1 A 21 21 GLY N N 21 113.574 109.830 3.744 1
1 150 . 20 1 1 A 22 22 LYS H H 22 7.891 7.326 0.565 1
1 151 . 20 1 1 A 22 22 LYS HA H 22 3.989 4.114 -0.125 1
1 160 . 20 1 1 A 22 22 LYS C C 22 173.452 175.056 -1.604 1
1 161 . 20 1 1 A 22 22 LYS CA C 22 57.789 56.091 1.698 1
1 162 . 20 1 1 A 22 22 LYS CB C 22 34.125 32.861 1.264 1
1 166 . 20 1 1 A 22 22 LYS N N 22 122.877 120.004 2.873 1
1 167 . 20 1 1 A 23 23 ALA H H 23 7.645 8.406 -0.761 1
1 168 . 20 1 1 A 23 23 ALA HA H 23 4.925 5.357 -0.432 1
1 172 . 20 1 1 A 23 23 ALA C C 23 175.868 175.906 -0.038 1
1 173 . 20 1 1 A 23 23 ALA CA C 23 50.523 49.809 0.714 1
1 174 . 20 1 1 A 23 23 ALA CB C 23 22.145 22.588 -0.443 1
1 175 . 20 1 1 A 23 23 ALA N N 23 122.280 125.412 -3.132 1
1 176 . 20 1 1 A 24 24 PHE H H 24 8.337 8.373 -0.036 1
1 177 . 20 1 1 A 24 24 PHE HA H 24 4.890 4.935 -0.045 1
1 185 . 20 1 1 A 24 24 PHE C C 24 175.994 175.401 0.593 1
1 186 . 20 1 1 A 24 24 PHE CA C 24 56.926 56.880 0.046 1
1 187 . 20 1 1 A 24 24 PHE CB C 24 43.626 43.201 0.425 1
1 193 . 20 1 1 A 24 24 PHE N N 24 116.352 118.061 -1.709 1
1 194 . 20 1 1 A 25 25 SER H H 25 9.344 8.867 0.477 1
1 195 . 20 1 1 A 25 25 SER HA H 25 4.612 4.626 -0.014 1
1 198 . 20 1 1 A 25 25 SER C C 25 174.148 173.821 0.327 1
1 199 . 20 1 1 A 25 25 SER CA C 25 60.554 59.078 1.476 1
1 200 . 20 1 1 A 25 25 SER CB C 25 64.329 63.414 0.915 1
1 201 . 20 1 1 A 25 25 SER N N 25 115.148 119.394 -4.246 1
1 202 . 20 1 1 A 26 26 ARG H H 26 7.040 7.558 -0.518 1
1 203 . 20 1 1 A 26 26 ARG HA H 26 4.719 4.568 0.151 1
1 210 . 20 1 1 A 26 26 ARG C C 26 176.116 175.908 0.208 1
1 211 . 20 1 1 A 26 26 ARG CA C 26 54.417 54.075 0.342 1
1 212 . 20 1 1 A 26 26 ARG CB C 26 34.587 32.878 1.709 1
1 215 . 20 1 1 A 26 26 ARG N N 26 115.877 120.502 -4.625 1
1 216 . 20 1 1 A 27 27 SER H H 27 8.441 8.804 -0.363 1
1 217 . 20 1 1 A 27 27 SER HA H 27 3.278 3.538 -0.260 1
1 220 . 20 1 1 A 27 27 SER CA C 27 61.160 61.586 -0.426 1
1 221 . 20 1 1 A 27 27 SER CB C 27 61.910 62.281 -0.371 1
1 222 . 20 1 1 A 27 27 SER N N 27 120.683 120.053 0.630 1
1 223 . 20 1 1 A 28 28 SER HA H 28 3.969 4.036 -0.067 1
1 226 . 20 1 1 A 28 28 SER C C 28 176.640 175.947 0.693 1
1 227 . 20 1 1 A 28 28 SER CA C 28 61.029 62.211 -1.182 1
1 228 . 20 1 1 A 28 28 SER CB C 28 61.506 62.878 -1.372 1
1 229 . 20 1 1 A 29 29 ILE H H 29 6.628 7.691 -1.063 1
1 230 . 20 1 1 A 29 29 ILE HA H 29 3.725 3.478 0.247 1
1 240 . 20 1 1 A 29 29 ILE C C 29 178.108 177.696 0.412 1
1 241 . 20 1 1 A 29 29 ILE CA C 29 63.470 64.920 -1.450 1
1 242 . 20 1 1 A 29 29 ILE CB C 29 38.013 37.672 0.341 1
1 246 . 20 1 1 A 29 29 ILE N N 29 122.549 121.263 1.286 1
1 247 . 20 1 1 A 30 30 LEU H H 30 7.003 7.933 -0.930 1
1 248 . 20 1 1 A 30 30 LEU HA H 30 3.511 3.618 -0.107 1
1 258 . 20 1 1 A 30 30 LEU C C 30 177.880 178.685 -0.805 1
1 259 . 20 1 1 A 30 30 LEU CA C 30 58.394 58.450 -0.056 1
1 260 . 20 1 1 A 30 30 LEU CB C 30 40.239 42.270 -2.031 1
1 264 . 20 1 1 A 30 30 LEU N N 30 122.518 121.315 1.203 1
1 265 . 20 1 1 A 31 31 VAL H H 31 8.203 8.005 0.198 1
1 266 . 20 1 1 A 31 31 VAL HA H 31 3.709 3.819 -0.110 1
1 274 . 20 1 1 A 31 31 VAL C C 31 179.070 177.590 1.480 1
1 275 . 20 1 1 A 31 31 VAL CA C 31 66.618 67.058 -0.440 1
1 276 . 20 1 1 A 31 31 VAL CB C 31 31.624 31.396 0.228 1
1 279 . 20 1 1 A 31 31 VAL N N 31 118.600 119.504 -0.904 1
1 280 . 20 1 1 A 32 32 GLN H H 32 7.323 7.917 -0.594 1
1 281 . 20 1 1 A 32 32 GLN HA H 32 3.927 4.026 -0.099 1
1 288 . 20 1 1 A 32 32 GLN C C 32 178.751 176.889 1.862 1
1 289 . 20 1 1 A 32 32 GLN CA C 32 58.772 58.345 0.427 1
1 290 . 20 1 1 A 32 32 GLN CB C 32 28.368 29.089 -0.721 1
1 292 . 20 1 1 A 32 32 GLN N N 32 118.113 117.889 0.224 1
1 294 . 20 1 1 A 33 33 HIS H H 33 8.046 8.335 -0.289 1
1 295 . 20 1 1 A 33 33 HIS HA H 33 4.148 4.279 -0.131 1
1 300 . 20 1 1 A 33 33 HIS C C 33 176.164 176.766 -0.602 1
1 301 . 20 1 1 A 33 33 HIS CA C 33 59.033 57.994 1.039 1
1 302 . 20 1 1 A 33 33 HIS CB C 33 27.726 30.487 -2.761 1
1 305 . 20 1 1 A 33 33 HIS N N 33 120.097 120.753 -0.656 1
1 306 . 20 1 1 A 34 34 GLN H H 34 8.348 7.808 0.540 1
1 307 . 20 1 1 A 34 34 GLN HA H 34 3.630 4.309 -0.679 1
1 314 . 20 1 1 A 34 34 GLN C C 34 177.457 177.334 0.123 1
1 315 . 20 1 1 A 34 34 GLN CA C 34 59.367 56.881 2.486 1
1 316 . 20 1 1 A 34 34 GLN CB C 34 28.158 29.231 -1.073 1
1 318 . 20 1 1 A 34 34 GLN N N 34 115.621 117.756 -2.135 1
1 320 . 20 1 1 A 35 35 ARG H H 35 7.167 7.690 -0.523 1
1 321 . 20 1 1 A 35 35 ARG HA H 35 4.094 4.208 -0.114 1
1 328 . 20 1 1 A 35 35 ARG C C 35 178.544 177.828 0.716 1
1 329 . 20 1 1 A 35 35 ARG CA C 35 58.553 57.694 0.859 1
1 330 . 20 1 1 A 35 35 ARG CB C 35 30.016 30.480 -0.464 1
1 333 . 20 1 1 A 35 35 ARG N N 35 117.694 118.132 -0.438 1
1 334 . 20 1 1 A 36 36 VAL H H 36 7.878 7.624 0.254 1
1 335 . 20 1 1 A 36 36 VAL HA H 36 3.885 3.887 -0.002 1
1 343 . 20 1 1 A 36 36 VAL C C 36 177.246 177.615 -0.369 1
1 344 . 20 1 1 A 36 36 VAL CA C 36 63.924 65.237 -1.313 1
1 345 . 20 1 1 A 36 36 VAL CB C 36 31.137 31.155 -0.018 1
1 348 . 20 1 1 A 36 36 VAL N N 36 116.056 117.831 -1.775 1
1 349 . 20 1 1 A 37 37 HIS H H 37 7.151 7.609 -0.458 1
1 350 . 20 1 1 A 37 37 HIS HA H 37 4.877 4.218 0.659 1
1 355 . 20 1 1 A 37 37 HIS C C 37 175.769 175.618 0.151 1
1 356 . 20 1 1 A 37 37 HIS CA C 37 55.034 59.062 -4.028 1
1 357 . 20 1 1 A 37 37 HIS CB C 37 28.415 30.167 -1.752 1
1 360 . 20 1 1 A 37 37 HIS N N 37 117.486 119.295 -1.809 1
1 361 . 20 1 1 A 38 38 THR H H 38 7.769 7.575 0.194 1
1 362 . 20 1 1 A 38 38 THR HA H 38 4.288 4.085 0.203 1
1 367 . 20 1 1 A 38 38 THR C C 38 175.391 175.960 -0.569 1
1 368 . 20 1 1 A 38 38 THR CA C 38 62.697 62.416 0.281 1
1 369 . 20 1 1 A 38 38 THR CB C 38 69.738 69.182 0.556 1
1 371 . 20 1 1 A 38 38 THR N N 38 112.779 114.571 -1.792 1
1 372 . 20 1 1 A 39 39 GLY H H 39 8.251 8.567 -0.316 1
1 373 . 20 1 1 A 39 39 GLY HA2 H 39 3.994 3.937 0.057 1
1 374 . 20 1 1 A 39 39 GLY HA3 H 39 3.920 3.954 -0.034 1
1 375 . 20 1 1 A 39 39 GLY C C 39 174.076 174.762 -0.686 1
1 376 . 20 1 1 A 39 39 GLY CA C 39 45.288 45.303 -0.015 1
1 377 . 20 1 1 A 39 39 GLY N N 39 110.331 114.653 -4.322 1
1 378 . 20 1 1 A 40 40 GLU H H 40 8.076 7.617 0.459 1
1 379 . 20 1 1 A 40 40 GLU HA H 40 4.139 4.401 -0.262 1
1 384 . 20 1 1 A 40 40 GLU C C 40 176.602 176.886 -0.284 1
1 385 . 20 1 1 A 40 40 GLU CA C 40 56.915 57.283 -0.368 1
1 386 . 20 1 1 A 40 40 GLU CB C 40 30.414 30.891 -0.477 1
1 388 . 20 1 1 A 40 40 GLU N N 40 120.155 118.346 1.809 1
1 389 . 20 1 1 A 41 41 LYS H H 41 8.274 7.710 0.564 1
1 390 . 20 1 1 A 41 41 LYS HA H 41 4.496 4.793 -0.297 1
1 399 . 20 1 1 A 41 41 LYS C C 41 173.906 174.691 -0.785 1
1 400 . 20 1 1 A 41 41 LYS CA C 41 53.865 53.978 -0.113 1
1 401 . 20 1 1 A 41 41 LYS CB C 41 33.372 32.977 0.395 1
1 405 . 20 1 1 A 41 41 LYS N N 41 121.689 118.286 3.403 1
1 406 . 20 1 1 A 42 42 PRO HA H 42 4.253 4.328 -0.075 1
1 413 . 20 1 1 A 42 42 PRO C C 42 176.660 175.898 0.762 1
1 414 . 20 1 1 A 42 42 PRO CA C 42 63.718 64.901 -1.183 1
1 415 . 20 1 1 A 42 42 PRO CB C 42 32.320 31.688 0.632 1
1 418 . 20 1 1 A 43 43 TYR H H 43 7.693 7.406 0.287 1
1 419 . 20 1 1 A 43 43 TYR HA H 43 4.600 4.644 -0.044 1
1 426 . 20 1 1 A 43 43 TYR C C 43 174.460 175.207 -0.747 1
1 427 . 20 1 1 A 43 43 TYR CA C 43 57.722 58.619 -0.897 1
1 428 . 20 1 1 A 43 43 TYR CB C 43 37.840 38.582 -0.742 1
1 433 . 20 1 1 A 43 43 TYR N N 43 118.327 118.417 -0.090 1
1 434 . 20 1 1 A 44 44 LYS H H 44 8.335 8.988 -0.653 1
1 435 . 20 1 1 A 44 44 LYS HA H 44 4.826 5.461 -0.635 1
1 444 . 20 1 1 A 44 44 LYS C C 44 174.679 175.381 -0.702 1
1 445 . 20 1 1 A 44 44 LYS CA C 44 55.423 54.361 1.062 1
1 446 . 20 1 1 A 44 44 LYS CB C 44 35.380 35.991 -0.611 1
1 450 . 20 1 1 A 44 44 LYS N N 44 125.187 125.644 -0.457 1
1 451 . 20 1 1 A 45 45 CYS H H 45 9.250 9.465 -0.215 1
1 452 . 20 1 1 A 45 45 CYS HA H 45 4.536 4.729 -0.193 1
1 455 . 20 1 1 A 45 45 CYS C C 45 177.400 174.737 2.663 1
1 456 . 20 1 1 A 45 45 CYS CA C 45 59.384 59.475 -0.091 1
1 457 . 20 1 1 A 45 45 CYS CB C 45 29.482 28.945 0.537 1
1 458 . 20 1 1 A 45 45 CYS N N 45 126.431 124.415 2.016 1
1 459 . 20 1 1 A 46 46 LEU H H 46 9.297 8.607 0.690 1
1 460 . 20 1 1 A 46 46 LEU HA H 46 4.192 4.580 -0.388 1
1 470 . 20 1 1 A 46 46 LEU C C 46 177.806 177.863 -0.057 1
1 471 . 20 1 1 A 46 46 LEU CA C 46 56.944 54.894 2.050 1
1 472 . 20 1 1 A 46 46 LEU CB C 46 41.269 43.352 -2.083 1
1 476 . 20 1 1 A 46 46 LEU N N 46 132.501 127.643 4.858 1
1 477 . 20 1 1 A 47 47 GLU H H 47 8.568 7.673 0.895 1
1 478 . 20 1 1 A 47 47 GLU HA H 47 4.161 3.980 0.181 1
1 483 . 20 1 1 A 47 47 GLU C C 47 177.358 177.772 -0.414 1
1 484 . 20 1 1 A 47 47 GLU CA C 47 58.545 59.319 -0.774 1
1 485 . 20 1 1 A 47 47 GLU CB C 47 29.500 30.034 -0.534 1
1 487 . 20 1 1 A 47 47 GLU N N 47 120.165 120.771 -0.606 1
1 488 . 20 1 1 A 48 48 CYS H H 48 7.979 7.412 0.567 1
1 489 . 20 1 1 A 48 48 CYS HA H 48 5.182 4.687 0.495 1
1 492 . 20 1 1 A 48 48 CYS C C 48 176.224 175.325 0.899 1
1 493 . 20 1 1 A 48 48 CYS CA C 48 58.210 59.459 -1.249 1
1 494 . 20 1 1 A 48 48 CYS CB C 48 32.531 29.887 2.644 1
1 495 . 20 1 1 A 48 48 CYS N N 48 114.531 115.606 -1.075 1
1 496 . 20 1 1 A 49 49 GLY H H 49 8.156 7.928 0.228 1
1 497 . 20 1 1 A 49 49 GLY HA2 H 49 4.273 4.058 0.215 1
1 498 . 20 1 1 A 49 49 GLY HA3 H 49 3.771 4.091 -0.320 1
1 499 . 20 1 1 A 49 49 GLY C C 49 173.907 172.170 1.737 1
1 500 . 20 1 1 A 49 49 GLY CA C 49 46.207 44.924 1.283 1
1 501 . 20 1 1 A 49 49 GLY N N 49 113.613 108.643 4.970 1
1 502 . 20 1 1 A 50 50 LYS H H 50 7.961 8.614 -0.653 1
1 503 . 20 1 1 A 50 50 LYS HA H 50 3.936 4.603 -0.667 1
1 512 . 20 1 1 A 50 50 LYS C C 50 173.571 174.012 -0.441 1
1 513 . 20 1 1 A 50 50 LYS CA C 50 58.199 55.490 2.709 1
1 514 . 20 1 1 A 50 50 LYS CB C 50 33.479 36.289 -2.810 1
1 518 . 20 1 1 A 50 50 LYS N N 50 123.259 125.061 -1.802 1
1 519 . 20 1 1 A 51 51 ALA H H 51 7.740 8.440 -0.700 1
1 520 . 20 1 1 A 51 51 ALA HA H 51 5.179 5.556 -0.377 1
1 524 . 20 1 1 A 51 51 ALA C C 51 175.844 176.582 -0.738 1
1 525 . 20 1 1 A 51 51 ALA CA C 51 50.329 51.096 -0.767 1
1 526 . 20 1 1 A 51 51 ALA CB C 51 22.741 20.861 1.880 1
1 527 . 20 1 1 A 51 51 ALA N N 51 123.792 127.220 -3.428 1
1 528 . 20 1 1 A 52 52 PHE H H 52 8.698 9.163 -0.465 1
1 529 . 20 1 1 A 52 52 PHE HA H 52 4.653 4.905 -0.252 1
1 537 . 20 1 1 A 52 52 PHE C C 52 175.640 175.850 -0.210 1
1 538 . 20 1 1 A 52 52 PHE CA C 52 57.636 57.095 0.541 1
1 539 . 20 1 1 A 52 52 PHE CB C 52 43.314 42.638 0.676 1
1 545 . 20 1 1 A 52 52 PHE N N 52 116.792 118.163 -1.371 1
1 546 . 20 1 1 A 53 53 SER H H 53 9.246 8.861 0.385 1
1 547 . 20 1 1 A 53 53 SER HA H 53 4.627 4.797 -0.170 1
1 550 . 20 1 1 A 53 53 SER C C 53 173.837 173.708 0.129 1
1 551 . 20 1 1 A 53 53 SER CA C 53 60.959 61.453 -0.494 1
1 552 . 20 1 1 A 53 53 SER CB C 53 64.077 63.203 0.874 1
1 553 . 20 1 1 A 53 53 SER N N 53 116.932 118.808 -1.876 1
1 554 . 20 1 1 A 54 54 GLN H H 54 7.873 8.161 -0.288 1
1 555 . 20 1 1 A 54 54 GLN HA H 54 4.774 4.855 -0.081 1
1 562 . 20 1 1 A 54 54 GLN C C 54 176.112 175.547 0.565 1
1 563 . 20 1 1 A 54 54 GLN CA C 54 53.972 54.510 -0.538 1
1 564 . 20 1 1 A 54 54 GLN CB C 54 32.160 31.459 0.701 1
1 566 . 20 1 1 A 54 54 GLN N N 54 116.030 117.347 -1.317 1
1 568 . 20 1 1 A 55 55 ASN H H 55 8.494 8.466 0.028 1
1 569 . 20 1 1 A 55 55 ASN HA H 55 3.540 3.864 -0.324 1
1 574 . 20 1 1 A 55 55 ASN C C 55 177.306 176.665 0.641 1
1 575 . 20 1 1 A 55 55 ASN CA C 55 56.094 56.583 -0.489 1
1 576 . 20 1 1 A 55 55 ASN CB C 55 38.260 37.807 0.453 1
1 577 . 20 1 1 A 55 55 ASN N N 55 124.248 122.989 1.259 1
1 579 . 20 1 1 A 56 56 SER HA H 56 3.867 4.131 -0.264 1
1 582 . 20 1 1 A 56 56 SER C C 56 176.822 176.878 -0.056 1
1 583 . 20 1 1 A 56 56 SER CA C 56 60.888 61.138 -0.250 1
1 584 . 20 1 1 A 56 56 SER CB C 56 61.588 62.785 -1.197 1
1 585 . 20 1 1 A 57 57 GLY H H 57 7.104 8.053 -0.949 1
1 586 . 20 1 1 A 57 57 GLY HA2 H 57 3.893 3.635 0.258 1
1 587 . 20 1 1 A 57 57 GLY HA3 H 57 3.718 3.669 0.049 1
1 588 . 20 1 1 A 57 57 GLY C C 57 175.641 175.211 0.430 1
1 589 . 20 1 1 A 57 57 GLY CA C 57 46.508 46.888 -0.380 1
1 590 . 20 1 1 A 57 57 GLY N N 57 109.816 107.128 2.688 1
1 591 . 20 1 1 A 58 58 LEU H H 58 6.781 7.614 -0.833 1
1 592 . 20 1 1 A 58 58 LEU HA H 58 3.288 2.334 0.954 1
1 602 . 20 1 1 A 58 58 LEU C C 58 177.650 178.176 -0.526 1
1 603 . 20 1 1 A 58 58 LEU CA C 58 57.726 56.427 1.299 1
1 604 . 20 1 1 A 58 58 LEU CB C 58 40.656 41.051 -0.395 1
1 608 . 20 1 1 A 58 58 LEU N N 58 124.058 121.764 2.294 1
1 609 . 20 1 1 A 59 59 ILE H H 59 8.281 8.082 0.199 1
1 610 . 20 1 1 A 59 59 ILE HA H 59 3.686 3.341 0.345 1
1 620 . 20 1 1 A 59 59 ILE C C 59 179.220 177.726 1.494 1
1 621 . 20 1 1 A 59 59 ILE CA C 59 64.389 65.561 -1.172 1
1 622 . 20 1 1 A 59 59 ILE CB C 59 37.545 37.946 -0.401 1
1 626 . 20 1 1 A 59 59 ILE N N 59 119.575 119.811 -0.236 1
1 627 . 20 1 1 A 60 60 ASN H H 60 7.677 8.216 -0.539 1
1 628 . 20 1 1 A 60 60 ASN HA H 60 4.326 4.427 -0.101 1
1 633 . 20 1 1 A 60 60 ASN C C 60 177.688 176.998 0.690 1
1 634 . 20 1 1 A 60 60 ASN CA C 60 56.183 55.590 0.593 1
1 635 . 20 1 1 A 60 60 ASN CB C 60 38.549 38.837 -0.288 1
1 636 . 20 1 1 A 60 60 ASN N N 60 116.791 118.763 -1.972 1
1 638 . 20 1 1 A 61 61 HIS H H 61 7.526 7.411 0.115 1
1 639 . 20 1 1 A 61 61 HIS HA H 61 4.172 4.218 -0.046 1
1 643 . 20 1 1 A 61 61 HIS C C 61 176.063 176.558 -0.495 1
1 644 . 20 1 1 A 61 61 HIS CA C 61 58.924 57.788 1.136 1
1 645 . 20 1 1 A 61 61 HIS CB C 61 29.110 30.334 -1.224 1
1 647 . 20 1 1 A 61 61 HIS N N 61 119.310 119.064 0.246 1
1 648 . 20 1 1 A 62 62 GLN H H 62 8.345 7.943 0.402 1
1 649 . 20 1 1 A 62 62 GLN HA H 62 3.631 4.070 -0.439 1
1 656 . 20 1 1 A 62 62 GLN C C 62 177.302 178.278 -0.976 1
1 657 . 20 1 1 A 62 62 GLN CA C 62 59.260 57.053 2.207 1
1 658 . 20 1 1 A 62 62 GLN CB C 62 28.161 29.533 -1.372 1
1 660 . 20 1 1 A 62 62 GLN N N 62 115.573 117.547 -1.974 1
1 662 . 20 1 1 A 63 63 ARG H H 63 7.029 8.219 -1.190 1
1 663 . 20 1 1 A 63 63 ARG HA H 63 4.091 4.009 0.082 1
1 670 . 20 1 1 A 63 63 ARG C C 63 178.257 177.698 0.559 1
1 671 . 20 1 1 A 63 63 ARG CA C 63 58.505 58.543 -0.038 1
1 672 . 20 1 1 A 63 63 ARG CB C 63 30.046 29.522 0.524 1
1 675 . 20 1 1 A 63 63 ARG N N 63 117.521 118.570 -1.049 1
1 676 . 20 1 1 A 64 64 ILE H H 64 7.763 7.365 0.398 1
1 677 . 20 1 1 A 64 64 ILE HA H 64 3.988 3.735 0.253 1
1 687 . 20 1 1 A 64 64 ILE C C 64 177.138 177.946 -0.808 1
1 688 . 20 1 1 A 64 64 ILE CA C 64 62.780 64.176 -1.396 1
1 689 . 20 1 1 A 64 64 ILE CB C 64 37.760 37.427 0.333 1
1 693 . 20 1 1 A 64 64 ILE N N 64 115.601 116.133 -0.532 1
1 694 . 20 1 1 A 65 65 HIS H H 65 7.261 6.978 0.283 1
1 695 . 20 1 1 A 65 65 HIS HA H 65 4.867 4.333 0.534 1
1 700 . 20 1 1 A 65 65 HIS C C 65 175.314 175.708 -0.394 1
1 701 . 20 1 1 A 65 65 HIS CA C 65 54.927 59.511 -4.584 1
1 702 . 20 1 1 A 65 65 HIS CB C 65 28.723 29.623 -0.900 1
1 705 . 20 1 1 A 65 65 HIS N N 65 118.018 120.228 -2.210 1
1 706 . 20 1 1 A 66 66 THR H H 66 7.717 7.294 0.423 1
1 707 . 20 1 1 A 66 66 THR HA H 66 4.433 4.194 0.239 1
1 712 . 20 1 1 A 66 66 THR C C 66 174.569 174.072 0.497 1
1 713 . 20 1 1 A 66 66 THR CA C 66 61.984 62.577 -0.593 1
1 714 . 20 1 1 A 66 66 THR CB C 66 69.832 69.347 0.485 1
1 716 . 20 1 1 A 66 66 THR N N 66 112.598 111.329 1.269 1
1 717 . 20 1 1 A 67 67 SER H H 67 8.272 8.823 -0.551 1
1 718 . 20 1 1 A 67 67 SER HA H 67 4.540 4.796 -0.256 1
1 721 . 20 1 1 A 67 67 SER C C 67 174.531 173.284 1.247 1
1 722 . 20 1 1 A 67 67 SER CA C 67 58.517 56.906 1.611 1
1 723 . 20 1 1 A 67 67 SER CB C 67 64.041 63.648 0.393 1
1 724 . 20 1 1 A 67 67 SER N N 67 117.832 122.185 -4.353 1
1 725 . 20 1 1 A 68 68 GLY H H 68 8.223 8.306 -0.083 1
1 726 . 20 1 1 A 68 68 GLY HA2 H 68 4.153 4.148 0.005 1
1 727 . 20 1 1 A 68 68 GLY HA3 H 68 4.101 4.148 -0.047 1
1 728 . 20 1 1 A 68 68 GLY C C 68 171.817 173.592 -1.775 1
1 729 . 20 1 1 A 68 68 GLY CA C 68 44.704 45.601 -0.897 1
1 730 . 20 1 1 A 68 68 GLY N N 68 110.671 113.573 -2.902 1
1 731 . 20 1 1 A 69 69 PRO HA H 69 4.469 4.563 -0.094 1
1 738 . 20 1 1 A 69 69 PRO CA C 69 63.244 63.801 -0.557 1
1 739 . 20 1 1 A 69 69 PRO CB C 69 32.208 31.708 0.500 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 61 1.050 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 1.392 1
3 1 1 1 "RMS(OBS, PRED)" CB 55 1.279 1
4 1 1 1 "RMS(OBS, PRED)" H 56 0.571 1
5 1 1 1 "RMS(OBS, PRED)" HA 70 0.353 1
6 1 1 1 "RMS(OBS, PRED)" N 56 2.659 1
7 1 2 1 "RMS(OBS, PRED)" C 61 0.937 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 1.370 1
9 1 2 1 "RMS(OBS, PRED)" CB 55 1.290 1
10 1 2 1 "RMS(OBS, PRED)" H 56 0.558 1
11 1 2 1 "RMS(OBS, PRED)" HA 70 0.327 1
12 1 2 1 "RMS(OBS, PRED)" N 56 2.499 1
13 1 3 1 "RMS(OBS, PRED)" C 61 1.066 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 1.297 1
15 1 3 1 "RMS(OBS, PRED)" CB 55 1.378 1
16 1 3 1 "RMS(OBS, PRED)" H 56 0.535 1
17 1 3 1 "RMS(OBS, PRED)" HA 70 0.363 1
18 1 3 1 "RMS(OBS, PRED)" N 56 2.652 1
19 1 4 1 "RMS(OBS, PRED)" C 61 1.129 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 1.356 1
21 1 4 1 "RMS(OBS, PRED)" CB 55 1.526 1
22 1 4 1 "RMS(OBS, PRED)" H 56 0.547 1
23 1 4 1 "RMS(OBS, PRED)" HA 70 0.354 1
24 1 4 1 "RMS(OBS, PRED)" N 56 2.912 1
25 1 5 1 "RMS(OBS, PRED)" C 61 1.104 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 1.202 1
27 1 5 1 "RMS(OBS, PRED)" CB 55 1.376 1
28 1 5 1 "RMS(OBS, PRED)" H 56 0.499 1
29 1 5 1 "RMS(OBS, PRED)" HA 70 0.370 1
30 1 5 1 "RMS(OBS, PRED)" N 56 2.527 1
31 1 6 1 "RMS(OBS, PRED)" C 61 1.103 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 1.326 1
33 1 6 1 "RMS(OBS, PRED)" CB 55 1.378 1
34 1 6 1 "RMS(OBS, PRED)" H 56 0.547 1
35 1 6 1 "RMS(OBS, PRED)" HA 70 0.327 1
36 1 6 1 "RMS(OBS, PRED)" N 56 2.608 1
37 1 7 1 "RMS(OBS, PRED)" C 61 1.227 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 1.447 1
39 1 7 1 "RMS(OBS, PRED)" CB 55 1.519 1
40 1 7 1 "RMS(OBS, PRED)" H 56 0.583 1
41 1 7 1 "RMS(OBS, PRED)" HA 70 0.380 1
42 1 7 1 "RMS(OBS, PRED)" N 56 2.411 1
43 1 8 1 "RMS(OBS, PRED)" C 61 1.219 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 1.462 1
45 1 8 1 "RMS(OBS, PRED)" CB 55 1.488 1
46 1 8 1 "RMS(OBS, PRED)" H 56 0.533 1
47 1 8 1 "RMS(OBS, PRED)" HA 70 0.373 1
48 1 8 1 "RMS(OBS, PRED)" N 56 2.699 1
49 1 9 1 "RMS(OBS, PRED)" C 61 1.139 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 1.349 1
51 1 9 1 "RMS(OBS, PRED)" CB 55 1.400 1
52 1 9 1 "RMS(OBS, PRED)" H 56 0.596 1
53 1 9 1 "RMS(OBS, PRED)" HA 70 0.329 1
54 1 9 1 "RMS(OBS, PRED)" N 56 3.002 1
55 1 10 1 "RMS(OBS, PRED)" C 61 0.982 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 1.296 1
57 1 10 1 "RMS(OBS, PRED)" CB 55 1.313 1
58 1 10 1 "RMS(OBS, PRED)" H 56 0.532 1
59 1 10 1 "RMS(OBS, PRED)" HA 70 0.347 1
60 1 10 1 "RMS(OBS, PRED)" N 56 2.244 1
61 1 11 1 "RMS(OBS, PRED)" C 61 1.094 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 1.371 1
63 1 11 1 "RMS(OBS, PRED)" CB 55 1.278 1
64 1 11 1 "RMS(OBS, PRED)" H 56 0.522 1
65 1 11 1 "RMS(OBS, PRED)" HA 70 0.363 1
66 1 11 1 "RMS(OBS, PRED)" N 56 2.661 1
67 1 12 1 "RMS(OBS, PRED)" C 61 0.941 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 1.192 1
69 1 12 1 "RMS(OBS, PRED)" CB 55 1.193 1
70 1 12 1 "RMS(OBS, PRED)" H 56 0.553 1
71 1 12 1 "RMS(OBS, PRED)" HA 70 0.327 1
72 1 12 1 "RMS(OBS, PRED)" N 56 2.623 1
73 1 13 1 "RMS(OBS, PRED)" C 61 1.105 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 1.451 1
75 1 13 1 "RMS(OBS, PRED)" CB 55 1.311 1
76 1 13 1 "RMS(OBS, PRED)" H 56 0.586 1
77 1 13 1 "RMS(OBS, PRED)" HA 70 0.380 1
78 1 13 1 "RMS(OBS, PRED)" N 56 2.678 1
79 1 14 1 "RMS(OBS, PRED)" C 61 1.112 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 1.323 1
81 1 14 1 "RMS(OBS, PRED)" CB 55 1.429 1
82 1 14 1 "RMS(OBS, PRED)" H 56 0.525 1
83 1 14 1 "RMS(OBS, PRED)" HA 70 0.345 1
84 1 14 1 "RMS(OBS, PRED)" N 56 2.585 1
85 1 15 1 "RMS(OBS, PRED)" C 61 1.074 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 1.301 1
87 1 15 1 "RMS(OBS, PRED)" CB 55 1.488 1
88 1 15 1 "RMS(OBS, PRED)" H 56 0.558 1
89 1 15 1 "RMS(OBS, PRED)" HA 70 0.350 1
90 1 15 1 "RMS(OBS, PRED)" N 56 2.801 1
91 1 16 1 "RMS(OBS, PRED)" C 61 0.992 1
92 1 16 1 "RMS(OBS, PRED)" CA 63 1.416 1
93 1 16 1 "RMS(OBS, PRED)" CB 55 1.240 1
94 1 16 1 "RMS(OBS, PRED)" H 56 0.574 1
95 1 16 1 "RMS(OBS, PRED)" HA 70 0.342 1
96 1 16 1 "RMS(OBS, PRED)" N 56 2.526 1
97 1 17 1 "RMS(OBS, PRED)" C 61 1.062 1
98 1 17 1 "RMS(OBS, PRED)" CA 63 1.463 1
99 1 17 1 "RMS(OBS, PRED)" CB 55 1.323 1
100 1 17 1 "RMS(OBS, PRED)" H 56 0.548 1
101 1 17 1 "RMS(OBS, PRED)" HA 70 0.362 1
102 1 17 1 "RMS(OBS, PRED)" N 56 2.474 1
103 1 18 1 "RMS(OBS, PRED)" C 61 1.169 1
104 1 18 1 "RMS(OBS, PRED)" CA 63 1.519 1
105 1 18 1 "RMS(OBS, PRED)" CB 55 1.442 1
106 1 18 1 "RMS(OBS, PRED)" H 56 0.580 1
107 1 18 1 "RMS(OBS, PRED)" HA 70 0.400 1
108 1 18 1 "RMS(OBS, PRED)" N 56 2.658 1
109 1 19 1 "RMS(OBS, PRED)" C 61 1.169 1
110 1 19 1 "RMS(OBS, PRED)" CA 63 1.228 1
111 1 19 1 "RMS(OBS, PRED)" CB 55 1.371 1
112 1 19 1 "RMS(OBS, PRED)" H 56 0.626 1
113 1 19 1 "RMS(OBS, PRED)" HA 70 0.351 1
114 1 19 1 "RMS(OBS, PRED)" N 56 2.814 1
115 1 20 1 "RMS(OBS, PRED)" C 61 1.028 1
116 1 20 1 "RMS(OBS, PRED)" CA 63 1.325 1
117 1 20 1 "RMS(OBS, PRED)" CB 55 1.225 1
118 1 20 1 "RMS(OBS, PRED)" H 56 0.518 1
119 1 20 1 "RMS(OBS, PRED)" HA 70 0.322 1
120 1 20 1 "RMS(OBS, PRED)" N 56 2.524 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 3.957 4.118 -0.161 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.957 4.147 -0.190 2
1 3 . 1 1 A 7 7 GLY C C 7 174.124 173.014 1.110 2
1 4 . 1 1 A 7 7 GLY CA C 7 45.359 45.313 0.046 2
1 5 . 1 1 A 8 8 ILE H H 8 7.939 8.500 -0.561 2
1 6 . 1 1 A 8 8 ILE HA H 8 4.106 4.490 -0.384 2
1 16 . 1 1 A 8 8 ILE C C 8 176.213 175.200 1.013 2
1 17 . 1 1 A 8 8 ILE CA C 8 61.378 60.318 1.060 2
1 18 . 1 1 A 8 8 ILE CB C 8 38.603 39.450 -0.847 2
1 22 . 1 1 A 8 8 ILE N N 8 119.652 122.072 -2.420 2
1 23 . 1 1 A 9 9 HIS H H 9 8.409 8.427 -0.018 2
1 24 . 1 1 A 9 9 HIS C C 9 175.436 174.189 1.247 2
1 25 . 1 1 A 9 9 HIS CA C 9 56.065 55.532 0.533 2
1 26 . 1 1 A 9 9 HIS CB C 9 30.677 31.046 -0.369 2
1 27 . 1 1 A 9 9 HIS N N 9 123.607 122.489 1.118 2
1 28 . 1 1 A 10 10 SER HA H 10 4.484 4.758 -0.274 2
1 31 . 1 1 A 10 10 SER C C 10 174.981 173.882 1.099 2
1 32 . 1 1 A 10 10 SER CA C 10 58.621 57.557 1.064 2
1 33 . 1 1 A 10 10 SER CB C 10 63.732 64.667 -0.935 2
1 34 . 1 1 A 11 11 GLY H H 11 8.447 8.521 -0.074 2
1 35 . 1 1 A 11 11 GLY HA2 H 11 3.936 4.087 -0.151 2
1 36 . 1 1 A 11 11 GLY HA3 H 11 3.936 4.098 -0.162 2
1 37 . 1 1 A 11 11 GLY C C 11 174.112 173.785 0.327 2
1 38 . 1 1 A 11 11 GLY CA C 11 45.292 45.575 -0.283 2
1 39 . 1 1 A 11 11 GLY N N 11 110.887 111.164 -0.277 2
1 40 . 1 1 A 12 12 GLU H H 12 8.200 8.490 -0.290 2
1 41 . 1 1 A 12 12 GLU HA H 12 4.174 4.412 -0.238 2
1 46 . 1 1 A 12 12 GLU C C 12 176.545 175.875 0.670 2
1 47 . 1 1 A 12 12 GLU CA C 12 56.962 56.760 0.202 2
1 48 . 1 1 A 12 12 GLU CB C 12 30.388 30.578 -0.190 2
1 50 . 1 1 A 12 12 GLU N N 12 120.059 121.497 -1.438 2
1 51 . 1 1 A 13 13 LYS H H 13 8.280 8.008 0.272 2
1 52 . 1 1 A 13 13 LYS HA H 13 4.434 4.654 -0.220 2
1 61 . 1 1 A 13 13 LYS C C 13 173.760 175.872 -2.112 2
1 62 . 1 1 A 13 13 LYS CA C 13 53.742 54.023 -0.281 2
1 63 . 1 1 A 13 13 LYS CB C 13 33.067 32.738 0.329 2
1 67 . 1 1 A 13 13 LYS N N 13 121.235 121.657 -0.422 2
1 68 . 1 1 A 14 14 PRO HA H 14 4.268 4.528 -0.260 2
1 75 . 1 1 A 14 14 PRO C C 14 176.391 175.879 0.512 2
1 76 . 1 1 A 14 14 PRO CA C 14 63.473 64.294 -0.821 2
1 77 . 1 1 A 14 14 PRO CB C 14 32.243 31.691 0.552 2
1 80 . 1 1 A 15 15 TYR H H 15 7.898 7.542 0.356 2
1 81 . 1 1 A 15 15 TYR HA H 15 4.609 5.085 -0.476 2
1 88 . 1 1 A 15 15 TYR C C 15 175.259 175.517 -0.258 2
1 89 . 1 1 A 15 15 TYR CA C 15 57.252 56.396 0.856 2
1 90 . 1 1 A 15 15 TYR CB C 15 37.800 40.859 -3.059 2
1 95 . 1 1 A 15 15 TYR N N 15 118.120 119.124 -1.004 2
1 96 . 1 1 A 16 16 GLY H H 16 8.420 8.823 -0.403 2
1 97 . 1 1 A 16 16 GLY HA2 H 16 4.634 4.398 0.236 2
1 98 . 1 1 A 16 16 GLY HA3 H 16 3.568 4.422 -0.854 2
1 99 . 1 1 A 16 16 GLY C C 16 172.667 172.511 0.156 2
1 100 . 1 1 A 16 16 GLY CA C 16 44.599 44.864 -0.265 2
1 101 . 1 1 A 16 16 GLY N N 16 111.924 110.233 1.691 2
1 102 . 1 1 A 17 17 CYS H H 17 9.142 8.924 0.218 2
1 103 . 1 1 A 17 17 CYS HA H 17 4.712 4.903 -0.191 2
1 106 . 1 1 A 17 17 CYS C C 17 177.696 174.888 2.808 2
1 107 . 1 1 A 17 17 CYS CA C 17 58.694 58.539 0.155 2
1 108 . 1 1 A 17 17 CYS CB C 17 29.770 29.267 0.503 2
1 109 . 1 1 A 17 17 CYS N N 17 125.008 119.496 5.512 2
1 110 . 1 1 A 18 18 VAL H H 18 9.089 8.514 0.575 2
1 111 . 1 1 A 18 18 VAL HA H 18 4.003 4.131 -0.128 2
1 119 . 1 1 A 18 18 VAL C C 18 176.506 177.606 -1.100 2
1 120 . 1 1 A 18 18 VAL CA C 18 64.407 63.856 0.551 2
1 121 . 1 1 A 18 18 VAL CB C 18 31.744 32.994 -1.250 2
1 124 . 1 1 A 18 18 VAL N N 18 129.598 124.604 4.994 2
1 125 . 1 1 A 19 19 GLU H H 19 8.413 7.943 0.470 2
1 126 . 1 1 A 19 19 GLU HA H 19 4.187 3.925 0.262 2
1 131 . 1 1 A 19 19 GLU C C 19 177.385 177.936 -0.551 2
1 132 . 1 1 A 19 19 GLU CA C 19 58.535 59.324 -0.789 2
1 133 . 1 1 A 19 19 GLU CB C 19 29.358 29.131 0.227 2
1 135 . 1 1 A 19 19 GLU N N 19 121.264 121.824 -0.560 2
1 136 . 1 1 A 20 20 CYS H H 20 7.854 7.519 0.335 2
1 137 . 1 1 A 20 20 CYS HA H 20 5.142 4.740 0.402 2
1 140 . 1 1 A 20 20 CYS C C 20 176.237 175.738 0.499 2
1 141 . 1 1 A 20 20 CYS CA C 20 58.341 59.415 -1.074 2
1 142 . 1 1 A 20 20 CYS CB C 20 32.531 30.236 2.295 2
1 143 . 1 1 A 20 20 CYS N N 20 113.736 114.537 -0.801 2
1 144 . 1 1 A 21 21 GLY H H 21 8.281 8.183 0.098 2
1 145 . 1 1 A 21 21 GLY HA2 H 21 4.216 4.049 0.167 2
1 146 . 1 1 A 21 21 GLY HA3 H 21 3.784 4.058 -0.274 2
1 147 . 1 1 A 21 21 GLY C C 21 174.288 174.418 -0.130 2
1 148 . 1 1 A 21 21 GLY CA C 21 46.159 45.235 0.924 2
1 149 . 1 1 A 21 21 GLY N N 21 113.574 110.027 3.547 2
1 150 . 1 1 A 22 22 LYS H H 22 7.891 7.585 0.305 2
1 151 . 1 1 A 22 22 LYS HA H 22 3.989 4.114 -0.125 2
1 160 . 1 1 A 22 22 LYS C C 22 173.452 175.261 -1.809 2
1 161 . 1 1 A 22 22 LYS CA C 22 57.789 56.050 1.739 2
1 162 . 1 1 A 22 22 LYS CB C 22 34.125 32.973 1.152 2
1 166 . 1 1 A 22 22 LYS N N 22 122.877 120.607 2.270 2
1 167 . 1 1 A 23 23 ALA H H 23 7.645 8.372 -0.727 2
1 168 . 1 1 A 23 23 ALA HA H 23 4.925 5.344 -0.419 2
1 172 . 1 1 A 23 23 ALA C C 23 175.868 175.870 -0.002 2
1 173 . 1 1 A 23 23 ALA CA C 23 50.523 50.201 0.322 2
1 174 . 1 1 A 23 23 ALA CB C 23 22.145 21.494 0.651 2
1 175 . 1 1 A 23 23 ALA N N 23 122.280 127.416 -5.136 2
1 176 . 1 1 A 24 24 PHE H H 24 8.337 8.912 -0.575 2
1 177 . 1 1 A 24 24 PHE HA H 24 4.890 4.935 -0.045 2
1 185 . 1 1 A 24 24 PHE C C 24 175.994 175.887 0.107 2
1 186 . 1 1 A 24 24 PHE CA C 24 56.926 56.675 0.252 2
1 187 . 1 1 A 24 24 PHE CB C 24 43.626 41.975 1.651 2
1 193 . 1 1 A 24 24 PHE N N 24 116.352 118.487 -2.135 2
1 194 . 1 1 A 25 25 SER H H 25 9.344 8.887 0.457 2
1 195 . 1 1 A 25 25 SER HA H 25 4.612 4.380 0.232 2
1 198 . 1 1 A 25 25 SER C C 25 174.148 174.267 -0.119 2
1 199 . 1 1 A 25 25 SER CA C 25 60.554 60.592 -0.038 2
1 200 . 1 1 A 25 25 SER CB C 25 64.329 63.135 1.194 2
1 201 . 1 1 A 25 25 SER N N 25 115.148 118.478 -3.330 2
1 202 . 1 1 A 26 26 ARG H H 26 7.040 7.825 -0.785 2
1 203 . 1 1 A 26 26 ARG HA H 26 4.719 4.621 0.098 2
1 210 . 1 1 A 26 26 ARG C C 26 176.116 176.188 -0.072 2
1 211 . 1 1 A 26 26 ARG CA C 26 54.417 54.245 0.172 2
1 212 . 1 1 A 26 26 ARG CB C 26 34.587 32.976 1.611 2
1 215 . 1 1 A 26 26 ARG N N 26 115.877 120.888 -5.011 2
1 216 . 1 1 A 27 27 SER H H 27 8.441 8.695 -0.254 2
1 217 . 1 1 A 27 27 SER HA H 27 3.278 3.687 -0.409 2
1 220 . 1 1 A 27 27 SER CA C 27 61.160 61.234 -0.074 2
1 221 . 1 1 A 27 27 SER CB C 27 61.910 62.129 -0.219 2
1 222 . 1 1 A 27 27 SER N N 27 120.683 118.570 2.113 2
1 223 . 1 1 A 28 28 SER HA H 28 3.969 4.106 -0.137 2
1 226 . 1 1 A 28 28 SER C C 28 176.640 176.721 -0.081 2
1 227 . 1 1 A 28 28 SER CA C 28 61.029 61.919 -0.890 2
1 228 . 1 1 A 28 28 SER CB C 28 61.506 62.714 -1.208 2
1 229 . 1 1 A 29 29 ILE H H 29 6.628 7.739 -1.111 2
1 230 . 1 1 A 29 29 ILE HA H 29 3.725 3.556 0.169 2
1 240 . 1 1 A 29 29 ILE C C 29 178.108 177.660 0.448 2
1 241 . 1 1 A 29 29 ILE CA C 29 63.470 64.439 -0.969 2
1 242 . 1 1 A 29 29 ILE CB C 29 38.013 37.427 0.586 2
1 246 . 1 1 A 29 29 ILE N N 29 122.549 121.899 0.650 2
1 247 . 1 1 A 30 30 LEU H H 30 7.003 7.860 -0.857 2
1 248 . 1 1 A 30 30 LEU HA H 30 3.511 3.298 0.213 2
1 258 . 1 1 A 30 30 LEU C C 30 177.880 178.555 -0.675 2
1 259 . 1 1 A 30 30 LEU CA C 30 58.394 57.984 0.410 2
1 260 . 1 1 A 30 30 LEU CB C 30 40.239 41.950 -1.711 2
1 264 . 1 1 A 30 30 LEU N N 30 122.518 121.632 0.886 2
1 265 . 1 1 A 31 31 VAL H H 31 8.203 8.051 0.152 2
1 266 . 1 1 A 31 31 VAL HA H 31 3.709 3.519 0.190 2
1 274 . 1 1 A 31 31 VAL C C 31 179.070 177.488 1.582 2
1 275 . 1 1 A 31 31 VAL CA C 31 66.618 66.945 -0.327 2
1 276 . 1 1 A 31 31 VAL CB C 31 31.624 31.374 0.250 2
1 279 . 1 1 A 31 31 VAL N N 31 118.600 119.549 -0.949 2
1 280 . 1 1 A 32 32 GLN H H 32 7.323 7.800 -0.477 2
1 281 . 1 1 A 32 32 GLN HA H 32 3.927 4.035 -0.108 2
1 288 . 1 1 A 32 32 GLN C C 32 178.751 177.611 1.140 2
1 289 . 1 1 A 32 32 GLN CA C 32 58.772 58.485 0.287 2
1 290 . 1 1 A 32 32 GLN CB C 32 28.368 28.556 -0.188 2
1 292 . 1 1 A 32 32 GLN N N 32 118.113 118.455 -0.342 2
1 294 . 1 1 A 33 33 HIS H H 33 8.046 7.934 0.112 2
1 295 . 1 1 A 33 33 HIS HA H 33 4.148 4.239 -0.091 2
1 300 . 1 1 A 33 33 HIS C C 33 176.164 176.987 -0.823 2
1 301 . 1 1 A 33 33 HIS CA C 33 59.033 58.239 0.794 2
1 302 . 1 1 A 33 33 HIS CB C 33 27.726 30.286 -2.560 2
1 305 . 1 1 A 33 33 HIS N N 33 120.097 120.703 -0.606 2
1 306 . 1 1 A 34 34 GLN H H 34 8.348 7.858 0.490 2
1 307 . 1 1 A 34 34 GLN HA H 34 3.630 4.243 -0.613 2
1 314 . 1 1 A 34 34 GLN C C 34 177.457 178.316 -0.859 2
1 315 . 1 1 A 34 34 GLN CA C 34 59.367 57.858 1.509 2
1 316 . 1 1 A 34 34 GLN CB C 34 28.158 29.108 -0.950 2
1 318 . 1 1 A 34 34 GLN N N 34 115.621 117.995 -2.374 2
1 320 . 1 1 A 35 35 ARG H H 35 7.167 7.797 -0.630 2
1 321 . 1 1 A 35 35 ARG HA H 35 4.094 4.113 -0.019 2
1 328 . 1 1 A 35 35 ARG C C 35 178.544 177.966 0.578 2
1 329 . 1 1 A 35 35 ARG CA C 35 58.553 58.638 -0.085 2
1 330 . 1 1 A 35 35 ARG CB C 35 30.016 29.941 0.075 2
1 333 . 1 1 A 35 35 ARG N N 35 117.694 119.296 -1.602 2
1 334 . 1 1 A 36 36 VAL H H 36 7.878 7.571 0.307 2
1 335 . 1 1 A 36 36 VAL HA H 36 3.885 3.850 0.035 2
1 343 . 1 1 A 36 36 VAL C C 36 177.246 177.260 -0.014 2
1 344 . 1 1 A 36 36 VAL CA C 36 63.924 64.622 -0.698 2
1 345 . 1 1 A 36 36 VAL CB C 36 31.137 31.312 -0.175 2
1 348 . 1 1 A 36 36 VAL N N 36 116.056 116.561 -0.505 2
1 349 . 1 1 A 37 37 HIS H H 37 7.151 7.886 -0.735 2
1 350 . 1 1 A 37 37 HIS HA H 37 4.877 4.420 0.457 2
1 355 . 1 1 A 37 37 HIS C C 37 175.769 176.274 -0.505 2
1 356 . 1 1 A 37 37 HIS CA C 37 55.034 58.115 -3.081 2
1 357 . 1 1 A 37 37 HIS CB C 37 28.415 29.941 -1.526 2
1 360 . 1 1 A 37 37 HIS N N 37 117.486 119.882 -2.396 2
1 361 . 1 1 A 38 38 THR H H 38 7.769 7.804 -0.035 2
1 362 . 1 1 A 38 38 THR HA H 38 4.288 4.196 0.093 2
1 367 . 1 1 A 38 38 THR C C 38 175.391 174.638 0.753 2
1 368 . 1 1 A 38 38 THR CA C 38 62.697 62.906 -0.209 2
1 369 . 1 1 A 38 38 THR CB C 38 69.738 69.345 0.393 2
1 371 . 1 1 A 38 38 THR N N 38 112.779 112.891 -0.112 2
1 372 . 1 1 A 39 39 GLY H H 39 8.251 8.285 -0.034 2
1 373 . 1 1 A 39 39 GLY HA2 H 39 3.994 4.048 -0.054 2
1 374 . 1 1 A 39 39 GLY HA3 H 39 3.920 4.057 -0.137 2
1 375 . 1 1 A 39 39 GLY C C 39 174.076 173.875 0.201 2
1 376 . 1 1 A 39 39 GLY CA C 39 45.288 45.325 -0.037 2
1 377 . 1 1 A 39 39 GLY N N 39 110.331 112.783 -2.452 2
1 378 . 1 1 A 40 40 GLU H H 40 8.076 8.415 -0.339 2
1 379 . 1 1 A 40 40 GLU HA H 40 4.139 4.485 -0.346 2
1 384 . 1 1 A 40 40 GLU C C 40 176.602 176.310 0.292 2
1 385 . 1 1 A 40 40 GLU CA C 40 56.915 56.368 0.547 2
1 386 . 1 1 A 40 40 GLU CB C 40 30.414 30.746 -0.332 2
1 388 . 1 1 A 40 40 GLU N N 40 120.155 120.191 -0.036 2
1 389 . 1 1 A 41 41 LYS H H 41 8.274 7.877 0.397 2
1 390 . 1 1 A 41 41 LYS HA H 41 4.496 4.833 -0.337 2
1 399 . 1 1 A 41 41 LYS C C 41 173.906 175.336 -1.430 2
1 400 . 1 1 A 41 41 LYS CA C 41 53.865 54.301 -0.436 2
1 401 . 1 1 A 41 41 LYS CB C 41 33.372 32.504 0.868 2
1 405 . 1 1 A 41 41 LYS N N 41 121.689 119.436 2.253 2
1 406 . 1 1 A 42 42 PRO HA H 42 4.253 4.432 -0.179 2
1 413 . 1 1 A 42 42 PRO C C 42 176.660 175.845 0.815 2
1 414 . 1 1 A 42 42 PRO CA C 42 63.718 64.632 -0.914 2
1 415 . 1 1 A 42 42 PRO CB C 42 32.320 31.575 0.745 2
1 418 . 1 1 A 43 43 TYR H H 43 7.693 7.471 0.222 2
1 419 . 1 1 A 43 43 TYR HA H 43 4.600 4.774 -0.174 2
1 426 . 1 1 A 43 43 TYR C C 43 174.460 174.948 -0.488 2
1 427 . 1 1 A 43 43 TYR CA C 43 57.722 57.695 0.027 2
1 428 . 1 1 A 43 43 TYR CB C 43 37.840 38.648 -0.808 2
1 433 . 1 1 A 43 43 TYR N N 43 118.327 118.261 0.066 2
1 434 . 1 1 A 44 44 LYS H H 44 8.335 8.952 -0.617 2
1 435 . 1 1 A 44 44 LYS HA H 44 4.826 5.506 -0.680 2
1 444 . 1 1 A 44 44 LYS C C 44 174.679 175.629 -0.950 2
1 445 . 1 1 A 44 44 LYS CA C 44 55.423 54.540 0.883 2
1 446 . 1 1 A 44 44 LYS CB C 44 35.380 35.552 -0.172 2
1 450 . 1 1 A 44 44 LYS N N 44 125.187 125.819 -0.632 2
1 451 . 1 1 A 45 45 CYS H H 45 9.250 9.391 -0.141 2
1 452 . 1 1 A 45 45 CYS HA H 45 4.536 4.762 -0.226 2
1 455 . 1 1 A 45 45 CYS C C 45 177.400 175.332 2.068 2
1 456 . 1 1 A 45 45 CYS CA C 45 59.384 58.778 0.606 2
1 457 . 1 1 A 45 45 CYS CB C 45 29.482 29.145 0.336 2
1 458 . 1 1 A 45 45 CYS N N 45 126.431 124.245 2.186 2
1 459 . 1 1 A 46 46 LEU H H 46 9.297 8.587 0.710 2
1 460 . 1 1 A 46 46 LEU HA H 46 4.192 4.508 -0.316 2
1 470 . 1 1 A 46 46 LEU C C 46 177.806 177.976 -0.170 2
1 471 . 1 1 A 46 46 LEU CA C 46 56.944 55.081 1.863 2
1 472 . 1 1 A 46 46 LEU CB C 46 41.269 42.390 -1.121 2
1 476 . 1 1 A 46 46 LEU N N 46 132.501 128.305 4.196 2
1 477 . 1 1 A 47 47 GLU H H 47 8.568 7.928 0.640 2
1 478 . 1 1 A 47 47 GLU HA H 47 4.161 4.147 0.014 2
1 483 . 1 1 A 47 47 GLU C C 47 177.358 177.805 -0.447 2
1 484 . 1 1 A 47 47 GLU CA C 47 58.545 58.788 -0.243 2
1 485 . 1 1 A 47 47 GLU CB C 47 29.500 29.983 -0.483 2
1 487 . 1 1 A 47 47 GLU N N 47 120.165 119.881 0.284 2
1 488 . 1 1 A 48 48 CYS H H 48 7.979 7.553 0.426 2
1 489 . 1 1 A 48 48 CYS HA H 48 5.182 4.606 0.577 2
1 492 . 1 1 A 48 48 CYS C C 48 176.224 175.385 0.839 2
1 493 . 1 1 A 48 48 CYS CA C 48 58.210 59.428 -1.218 2
1 494 . 1 1 A 48 48 CYS CB C 48 32.531 29.829 2.702 2
1 495 . 1 1 A 48 48 CYS N N 48 114.531 115.319 -0.788 2
1 496 . 1 1 A 49 49 GLY H H 49 8.156 8.083 0.073 2
1 497 . 1 1 A 49 49 GLY HA2 H 49 4.273 4.084 0.189 2
1 498 . 1 1 A 49 49 GLY HA3 H 49 3.771 4.113 -0.342 2
1 499 . 1 1 A 49 49 GLY C C 49 173.907 172.948 0.959 2
1 500 . 1 1 A 49 49 GLY CA C 49 46.207 45.158 1.049 2
1 501 . 1 1 A 49 49 GLY N N 49 113.613 109.163 4.450 2
1 502 . 1 1 A 50 50 LYS H H 50 7.961 8.590 -0.629 2
1 503 . 1 1 A 50 50 LYS HA H 50 3.936 4.724 -0.788 2
1 512 . 1 1 A 50 50 LYS C C 50 173.571 174.036 -0.465 2
1 513 . 1 1 A 50 50 LYS CA C 50 58.199 55.262 2.937 2
1 514 . 1 1 A 50 50 LYS CB C 50 33.479 36.426 -2.947 2
1 518 . 1 1 A 50 50 LYS N N 50 123.259 124.391 -1.133 2
1 519 . 1 1 A 51 51 ALA H H 51 7.740 8.459 -0.719 2
1 520 . 1 1 A 51 51 ALA HA H 51 5.179 5.632 -0.453 2
1 524 . 1 1 A 51 51 ALA C C 51 175.844 176.086 -0.242 2
1 525 . 1 1 A 51 51 ALA CA C 51 50.329 50.390 -0.061 2
1 526 . 1 1 A 51 51 ALA CB C 51 22.741 21.957 0.784 2
1 527 . 1 1 A 51 51 ALA N N 51 123.792 126.138 -2.346 2
1 528 . 1 1 A 52 52 PHE H H 52 8.698 8.944 -0.246 2
1 529 . 1 1 A 52 52 PHE HA H 52 4.653 4.931 -0.278 2
1 537 . 1 1 A 52 52 PHE C C 52 175.640 175.903 -0.263 2
1 538 . 1 1 A 52 52 PHE CA C 52 57.636 56.911 0.725 2
1 539 . 1 1 A 52 52 PHE CB C 52 43.314 42.630 0.684 2
1 545 . 1 1 A 52 52 PHE N N 52 116.792 118.025 -1.233 2
1 546 . 1 1 A 53 53 SER H H 53 9.246 8.899 0.347 2
1 547 . 1 1 A 53 53 SER HA H 53 4.627 4.717 -0.090 2
1 550 . 1 1 A 53 53 SER C C 53 173.837 174.301 -0.464 2
1 551 . 1 1 A 53 53 SER CA C 53 60.959 61.026 -0.067 2
1 552 . 1 1 A 53 53 SER CB C 53 64.077 63.325 0.752 2
1 553 . 1 1 A 53 53 SER N N 53 116.932 118.153 -1.221 2
1 554 . 1 1 A 54 54 GLN H H 54 7.873 8.024 -0.151 2
1 555 . 1 1 A 54 54 GLN HA H 54 4.774 4.748 0.026 2
1 562 . 1 1 A 54 54 GLN C C 54 176.112 175.579 0.533 2
1 563 . 1 1 A 54 54 GLN CA C 54 53.972 54.470 -0.498 2
1 564 . 1 1 A 54 54 GLN CB C 54 32.160 31.499 0.661 2
1 566 . 1 1 A 54 54 GLN N N 54 116.030 118.935 -2.905 2
1 568 . 1 1 A 55 55 ASN H H 55 8.494 8.466 0.028 2
1 569 . 1 1 A 55 55 ASN HA H 55 3.540 3.827 -0.287 2
1 574 . 1 1 A 55 55 ASN C C 55 177.306 176.755 0.551 2
1 575 . 1 1 A 55 55 ASN CA C 55 56.094 56.185 -0.091 2
1 576 . 1 1 A 55 55 ASN CB C 55 38.260 37.975 0.285 2
1 577 . 1 1 A 55 55 ASN N N 55 124.248 122.668 1.580 2
1 579 . 1 1 A 56 56 SER HA H 56 3.867 4.120 -0.253 2
1 582 . 1 1 A 56 56 SER C C 56 176.822 176.912 -0.090 2
1 583 . 1 1 A 56 56 SER CA C 56 60.888 61.521 -0.633 2
1 584 . 1 1 A 56 56 SER CB C 56 61.588 62.826 -1.238 2
1 585 . 1 1 A 57 57 GLY H H 57 7.104 8.228 -1.124 2
1 586 . 1 1 A 57 57 GLY HA2 H 57 3.893 3.684 0.209 2
1 587 . 1 1 A 57 57 GLY HA3 H 57 3.718 3.717 0.001 2
1 588 . 1 1 A 57 57 GLY C C 57 175.641 175.298 0.343 2
1 589 . 1 1 A 57 57 GLY CA C 57 46.508 46.872 -0.364 2
1 590 . 1 1 A 57 57 GLY N N 57 109.816 108.248 1.568 2
1 591 . 1 1 A 58 58 LEU H H 58 6.781 7.709 -0.928 2
1 592 . 1 1 A 58 58 LEU HA H 58 3.288 2.575 0.713 2
1 602 . 1 1 A 58 58 LEU C C 58 177.650 178.060 -0.410 2
1 603 . 1 1 A 58 58 LEU CA C 58 57.726 56.587 1.139 2
1 604 . 1 1 A 58 58 LEU CB C 58 40.656 41.092 -0.436 2
1 608 . 1 1 A 58 58 LEU N N 58 124.058 121.982 2.076 2
1 609 . 1 1 A 59 59 ILE H H 59 8.281 8.060 0.221 2
1 610 . 1 1 A 59 59 ILE HA H 59 3.686 3.448 0.238 2
1 620 . 1 1 A 59 59 ILE C C 59 179.220 177.809 1.411 2
1 621 . 1 1 A 59 59 ILE CA C 59 64.389 65.466 -1.077 2
1 622 . 1 1 A 59 59 ILE CB C 59 37.545 37.807 -0.262 2
1 626 . 1 1 A 59 59 ILE N N 59 119.575 119.819 -0.244 2
1 627 . 1 1 A 60 60 ASN H H 60 7.677 8.103 -0.426 2
1 628 . 1 1 A 60 60 ASN HA H 60 4.326 4.416 -0.090 2
1 633 . 1 1 A 60 60 ASN C C 60 177.688 177.053 0.635 2
1 634 . 1 1 A 60 60 ASN CA C 60 56.183 55.811 0.372 2
1 635 . 1 1 A 60 60 ASN CB C 60 38.549 38.774 -0.225 2
1 636 . 1 1 A 60 60 ASN N N 60 116.791 118.601 -1.810 2
1 638 . 1 1 A 61 61 HIS H H 61 7.526 7.580 -0.054 2
1 639 . 1 1 A 61 61 HIS HA H 61 4.172 4.222 -0.050 2
1 643 . 1 1 A 61 61 HIS C C 61 176.063 176.370 -0.307 2
1 644 . 1 1 A 61 61 HIS CA C 61 58.924 57.763 1.161 2
1 645 . 1 1 A 61 61 HIS CB C 61 29.110 30.324 -1.214 2
1 647 . 1 1 A 61 61 HIS N N 61 119.310 119.073 0.237 2
1 648 . 1 1 A 62 62 GLN H H 62 8.345 7.924 0.421 2
1 649 . 1 1 A 62 62 GLN HA H 62 3.631 4.198 -0.567 2
1 656 . 1 1 A 62 62 GLN C C 62 177.302 178.256 -0.954 2
1 657 . 1 1 A 62 62 GLN CA C 62 59.260 56.819 2.442 2
1 658 . 1 1 A 62 62 GLN CB C 62 28.161 29.396 -1.235 2
1 660 . 1 1 A 62 62 GLN N N 62 115.573 117.623 -2.050 2
1 662 . 1 1 A 63 63 ARG H H 63 7.029 7.936 -0.907 2
1 663 . 1 1 A 63 63 ARG HA H 63 4.091 4.039 0.052 2
1 670 . 1 1 A 63 63 ARG C C 63 178.257 177.831 0.426 2
1 671 . 1 1 A 63 63 ARG CA C 63 58.505 58.548 -0.043 2
1 672 . 1 1 A 63 63 ARG CB C 63 30.046 29.604 0.442 2
1 675 . 1 1 A 63 63 ARG N N 63 117.521 118.697 -1.176 2
1 676 . 1 1 A 64 64 ILE H H 64 7.763 7.400 0.363 2
1 677 . 1 1 A 64 64 ILE HA H 64 3.988 3.726 0.262 2
1 687 . 1 1 A 64 64 ILE C C 64 177.138 177.812 -0.674 2
1 688 . 1 1 A 64 64 ILE CA C 64 62.780 64.187 -1.407 2
1 689 . 1 1 A 64 64 ILE CB C 64 37.760 37.299 0.461 2
1 693 . 1 1 A 64 64 ILE N N 64 115.601 116.217 -0.616 2
1 694 . 1 1 A 65 65 HIS H H 65 7.261 7.224 0.037 2
1 695 . 1 1 A 65 65 HIS HA H 65 4.867 4.330 0.537 2
1 700 . 1 1 A 65 65 HIS C C 65 175.314 177.056 -1.742 2
1 701 . 1 1 A 65 65 HIS CA C 65 54.927 59.284 -4.357 2
1 702 . 1 1 A 65 65 HIS CB C 65 28.723 29.779 -1.056 2
1 705 . 1 1 A 65 65 HIS N N 65 118.018 120.727 -2.709 2
1 706 . 1 1 A 66 66 THR H H 66 7.717 7.594 0.123 2
1 707 . 1 1 A 66 66 THR HA H 66 4.433 4.197 0.236 2
1 712 . 1 1 A 66 66 THR C C 66 174.569 174.404 0.165 2
1 713 . 1 1 A 66 66 THR CA C 66 61.984 62.979 -0.995 2
1 714 . 1 1 A 66 66 THR CB C 66 69.832 68.603 1.229 2
1 716 . 1 1 A 66 66 THR N N 66 112.598 112.545 0.053 2
1 717 . 1 1 A 67 67 SER H H 67 8.272 8.120 0.152 2
1 718 . 1 1 A 67 67 SER HA H 67 4.540 4.670 -0.130 2
1 721 . 1 1 A 67 67 SER C C 67 174.531 174.216 0.315 2
1 722 . 1 1 A 67 67 SER CA C 67 58.517 58.266 0.251 2
1 723 . 1 1 A 67 67 SER CB C 67 64.041 64.177 -0.136 2
1 724 . 1 1 A 67 67 SER N N 67 117.832 119.117 -1.285 2
1 725 . 1 1 A 68 68 GLY H H 68 8.223 8.272 -0.049 2
1 726 . 1 1 A 68 68 GLY HA2 H 68 4.153 4.110 0.043 2
1 727 . 1 1 A 68 68 GLY HA3 H 68 4.101 4.114 -0.013 2
1 728 . 1 1 A 68 68 GLY C C 68 171.817 173.607 -1.790 2
1 729 . 1 1 A 68 68 GLY CA C 68 44.704 45.098 -0.394 2
1 730 . 1 1 A 68 68 GLY N N 68 110.671 111.340 -0.669 2
1 731 . 1 1 A 69 69 PRO HA H 69 4.469 4.501 -0.032 2
1 738 . 1 1 A 69 69 PRO CA C 69 63.244 63.551 -0.307 2
1 739 . 1 1 A 69 69 PRO CB C 69 32.208 31.864 0.344 2
stop_
save_