data_10167_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10167
_Entry.PDB_ID 2EM2
_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 9 9 GLY CA C 9 45.191 44.372 0.819 1
1 2 . 1 1 1 A 9 9 GLY HA2 H 9 3.910 4.036 -0.126 1
1 3 . 1 1 1 A 9 9 GLY HA3 H 9 3.910 4.041 -0.131 1
1 4 . 1 1 1 A 9 9 GLY C C 9 174.087 172.724 1.363 1
1 5 . 1 1 1 A 10 10 GLU N N 10 120.188 119.518 0.670 1
1 6 . 1 1 1 A 10 10 GLU H H 10 8.196 8.477 -0.281 1
1 7 . 1 1 1 A 10 10 GLU CA C 10 56.995 55.577 1.418 1
1 8 . 1 1 1 A 10 10 GLU HA H 10 4.167 4.902 -0.735 1
1 9 . 1 1 1 A 10 10 GLU CB C 10 30.393 30.557 -0.164 1
1 15 . 1 1 1 A 10 10 GLU C C 10 176.271 175.319 0.952 1
1 16 . 1 1 1 A 11 11 LYS N N 11 120.905 124.086 -3.181 1
1 17 . 1 1 1 A 11 11 LYS H H 11 8.243 8.255 -0.012 1
1 18 . 1 1 1 A 11 11 LYS CA C 11 53.823 52.931 0.892 1
1 19 . 1 1 1 A 11 11 LYS HA H 11 4.538 4.849 -0.311 1
1 20 . 1 1 1 A 11 11 LYS CB C 11 33.303 34.331 -1.028 1
1 32 . 1 1 1 A 11 11 LYS C C 11 173.935 176.148 -2.213 1
1 33 . 1 1 1 A 12 12 PRO CA C 12 63.584 64.554 -0.970 1
1 34 . 1 1 1 A 12 12 PRO HA H 12 4.263 4.308 -0.045 1
1 35 . 1 1 1 A 12 12 PRO CB C 12 32.345 31.972 0.373 1
1 44 . 1 1 1 A 12 12 PRO C C 12 176.502 176.114 0.388 1
1 45 . 1 1 1 A 13 13 PHE N N 13 118.504 118.006 0.498 1
1 46 . 1 1 1 A 13 13 PHE H H 13 7.832 7.777 0.055 1
1 47 . 1 1 1 A 13 13 PHE CA C 13 57.518 56.809 0.709 1
1 48 . 1 1 1 A 13 13 PHE HA H 13 4.678 5.239 -0.561 1
1 49 . 1 1 1 A 13 13 PHE CB C 13 39.051 41.525 -2.474 1
1 62 . 1 1 1 A 13 13 PHE C C 13 174.345 174.080 0.265 1
1 63 . 1 1 1 A 14 14 LYS N N 14 124.932 123.016 1.916 1
1 64 . 1 1 1 A 14 14 LYS H H 14 8.568 9.033 -0.465 1
1 65 . 1 1 1 A 14 14 LYS CA C 14 55.189 54.591 0.598 1
1 66 . 1 1 1 A 14 14 LYS HA H 14 4.997 5.549 -0.552 1
1 67 . 1 1 1 A 14 14 LYS CB C 14 35.460 36.250 -0.790 1
1 79 . 1 1 1 A 14 14 LYS C C 14 175.180 175.083 0.097 1
1 80 . 1 1 1 A 15 15 CYS N N 15 127.244 124.337 2.907 1
1 81 . 1 1 1 A 15 15 CYS H H 15 9.264 9.565 -0.301 1
1 82 . 1 1 1 A 15 15 CYS CA C 15 59.641 59.547 0.094 1
1 83 . 1 1 1 A 15 15 CYS HA H 15 4.567 4.684 -0.117 1
1 84 . 1 1 1 A 15 15 CYS CB C 15 29.799 28.634 1.165 1
1 87 . 1 1 1 A 15 15 CYS C C 15 177.766 175.755 2.011 1
1 88 . 1 1 1 A 16 16 LYS N N 16 132.596 128.369 4.227 1
1 89 . 1 1 1 A 16 16 LYS H H 16 9.452 9.127 0.325 1
1 90 . 1 1 1 A 16 16 LYS CA C 16 58.651 56.742 1.909 1
1 91 . 1 1 1 A 16 16 LYS HA H 16 4.142 4.480 -0.338 1
1 92 . 1 1 1 A 16 16 LYS CB C 16 32.384 32.080 0.304 1
1 104 . 1 1 1 A 16 16 LYS C C 16 176.701 176.791 -0.090 1
1 105 . 1 1 1 A 17 17 GLU N N 17 120.589 117.297 3.292 1
1 106 . 1 1 1 A 17 17 GLU H H 17 8.832 7.855 0.977 1
1 107 . 1 1 1 A 17 17 GLU CA C 17 57.941 57.149 0.792 1
1 108 . 1 1 1 A 17 17 GLU HA H 17 4.228 4.479 -0.251 1
1 109 . 1 1 1 A 17 17 GLU CB C 17 29.158 31.302 -2.144 1
1 115 . 1 1 1 A 17 17 GLU C C 17 177.504 177.764 -0.260 1
1 116 . 1 1 1 A 18 18 CYS N N 18 115.823 114.659 1.164 1
1 117 . 1 1 1 A 18 18 CYS H H 18 8.345 8.140 0.205 1
1 118 . 1 1 1 A 18 18 CYS CA C 18 58.442 59.858 -1.416 1
1 119 . 1 1 1 A 18 18 CYS HA H 18 5.196 4.739 0.457 1
1 120 . 1 1 1 A 18 18 CYS CB C 18 32.566 29.864 2.702 1
1 123 . 1 1 1 A 18 18 CYS C C 18 176.419 175.451 0.968 1
1 124 . 1 1 1 A 19 19 GLY N N 19 113.312 110.033 3.279 1
1 125 . 1 1 1 A 19 19 GLY H H 19 8.066 8.022 0.044 1
1 126 . 1 1 1 A 19 19 GLY CA C 19 46.235 44.944 1.291 1
1 127 . 1 1 1 A 19 19 GLY HA2 H 19 3.778 4.093 -0.315 1
1 128 . 1 1 1 A 19 19 GLY HA3 H 19 4.257 4.109 0.148 1
1 129 . 1 1 1 A 19 19 GLY C C 19 173.644 174.640 -0.996 1
1 130 . 1 1 1 A 20 20 LYS N N 20 123.577 122.457 1.120 1
1 131 . 1 1 1 A 20 20 LYS H H 20 7.997 7.512 0.485 1
1 132 . 1 1 1 A 20 20 LYS CA C 20 58.469 55.929 2.540 1
1 133 . 1 1 1 A 20 20 LYS HA H 20 3.908 4.174 -0.266 1
1 134 . 1 1 1 A 20 20 LYS CB C 20 33.466 33.538 -0.072 1
1 146 . 1 1 1 A 20 20 LYS C C 20 173.507 175.402 -1.895 1
1 147 . 1 1 1 A 21 21 ALA N N 21 124.329 126.788 -2.459 1
1 148 . 1 1 1 A 21 21 ALA H H 21 7.783 8.076 -0.293 1
1 149 . 1 1 1 A 21 21 ALA CA C 21 50.334 49.816 0.518 1
1 150 . 1 1 1 A 21 21 ALA HA H 21 5.185 5.412 -0.227 1
1 151 . 1 1 1 A 21 21 ALA CB C 21 22.524 22.652 -0.128 1
1 155 . 1 1 1 A 21 21 ALA C C 21 176.077 175.911 0.166 1
1 156 . 1 1 1 A 22 22 PHE N N 22 116.711 116.883 -0.172 1
1 157 . 1 1 1 A 22 22 PHE H H 22 8.847 8.921 -0.074 1
1 158 . 1 1 1 A 22 22 PHE CA C 22 57.330 56.870 0.460 1
1 159 . 1 1 1 A 22 22 PHE HA H 22 4.775 5.053 -0.278 1
1 160 . 1 1 1 A 22 22 PHE CB C 22 43.939 44.316 -0.377 1
1 173 . 1 1 1 A 22 22 PHE C C 22 175.213 175.411 -0.198 1
1 174 . 1 1 1 A 23 23 ARG N N 23 120.534 119.953 0.581 1
1 175 . 1 1 1 A 23 23 ARG H H 23 9.558 8.769 0.789 1
1 176 . 1 1 1 A 23 23 ARG CA C 23 58.450 56.811 1.639 1
1 177 . 1 1 1 A 23 23 ARG HA H 23 4.579 4.802 -0.223 1
1 178 . 1 1 1 A 23 23 ARG CB C 23 31.693 32.506 -0.813 1
1 187 . 1 1 1 A 23 23 ARG C C 23 176.152 176.112 0.040 1
1 188 . 1 1 1 A 24 24 GLN N N 24 112.058 117.709 -5.651 1
1 189 . 1 1 1 A 24 24 GLN H H 24 7.643 7.618 0.025 1
1 190 . 1 1 1 A 24 24 GLN CA C 24 53.900 54.327 -0.427 1
1 191 . 1 1 1 A 24 24 GLN HA H 24 4.749 4.722 0.027 1
1 192 . 1 1 1 A 24 24 GLN CB C 24 32.181 31.312 0.869 1
1 201 . 1 1 1 A 24 24 GLN C C 24 176.122 175.791 0.331 1
1 202 . 1 1 1 A 25 25 ASN CA C 25 56.267 54.889 1.378 1
1 203 . 1 1 1 A 25 25 ASN HA H 25 3.435 2.947 0.488 1
1 204 . 1 1 1 A 25 25 ASN CB C 25 37.777 37.168 0.609 1
1 210 . 1 1 1 A 25 25 ASN C C 25 177.746 177.386 0.360 1
1 211 . 1 1 1 A 26 26 ILE N N 26 115.551 122.554 -7.003 1
1 212 . 1 1 1 A 26 26 ILE H H 26 8.132 7.778 0.354 1
1 213 . 1 1 1 A 26 26 ILE CA C 26 63.728 63.607 0.121 1
1 214 . 1 1 1 A 26 26 ILE HA H 26 3.895 3.783 0.112 1
1 215 . 1 1 1 A 26 26 ILE CB C 26 37.791 37.859 -0.068 1
1 228 . 1 1 1 A 26 26 ILE C C 26 177.174 177.521 -0.347 1
1 229 . 1 1 1 A 27 27 HIS N N 27 120.664 120.768 -0.104 1
1 230 . 1 1 1 A 27 27 HIS H H 27 6.592 7.759 -1.167 1
1 231 . 1 1 1 A 27 27 HIS CA C 27 56.928 60.217 -3.289 1
1 232 . 1 1 1 A 27 27 HIS HA H 27 4.515 4.233 0.282 1
1 233 . 1 1 1 A 27 27 HIS CB C 27 31.690 30.089 1.601 1
1 240 . 1 1 1 A 27 27 HIS C C 27 178.354 177.619 0.735 1
1 241 . 1 1 1 A 28 28 LEU N N 28 122.071 120.790 1.281 1
1 242 . 1 1 1 A 28 28 LEU H H 28 6.883 7.377 -0.494 1
1 243 . 1 1 1 A 28 28 LEU CA C 28 57.620 57.062 0.558 1
1 244 . 1 1 1 A 28 28 LEU HA H 28 3.326 2.356 0.970 1
1 245 . 1 1 1 A 28 28 LEU CB C 28 40.160 40.941 -0.781 1
1 258 . 1 1 1 A 28 28 LEU C C 28 177.151 177.915 -0.764 1
1 259 . 1 1 1 A 29 29 ALA N N 29 120.705 121.326 -0.621 1
1 260 . 1 1 1 A 29 29 ALA H H 29 8.279 8.025 0.254 1
1 261 . 1 1 1 A 29 29 ALA CA C 29 55.529 54.981 0.548 1
1 262 . 1 1 1 A 29 29 ALA HA H 29 3.938 4.031 -0.093 1
1 263 . 1 1 1 A 29 29 ALA CB C 29 17.758 17.781 -0.023 1
1 267 . 1 1 1 A 29 29 ALA C C 29 180.633 180.019 0.614 1
1 268 . 1 1 1 A 30 30 SER N N 30 111.186 113.713 -2.527 1
1 269 . 1 1 1 A 30 30 SER H H 30 7.532 7.803 -0.271 1
1 270 . 1 1 1 A 30 30 SER CA C 30 61.154 60.665 0.489 1
1 271 . 1 1 1 A 30 30 SER HA H 30 4.145 4.168 -0.023 1
1 272 . 1 1 1 A 30 30 SER CB C 30 62.792 62.870 -0.078 1
1 275 . 1 1 1 A 30 30 SER C C 30 176.819 176.555 0.264 1
1 276 . 1 1 1 A 31 31 HIS N N 31 122.310 121.127 1.183 1
1 277 . 1 1 1 A 31 31 HIS H H 31 7.533 7.753 -0.220 1
1 278 . 1 1 1 A 31 31 HIS CA C 31 59.375 59.520 -0.145 1
1 279 . 1 1 1 A 31 31 HIS HA H 31 4.196 4.246 -0.050 1
1 280 . 1 1 1 A 31 31 HIS CB C 31 28.704 30.256 -1.552 1
1 287 . 1 1 1 A 31 31 HIS C C 31 176.094 176.942 -0.848 1
1 288 . 1 1 1 A 32 32 LEU N N 32 116.904 119.226 -2.322 1
1 289 . 1 1 1 A 32 32 LEU H H 32 8.410 8.923 -0.513 1
1 290 . 1 1 1 A 32 32 LEU CA C 32 58.179 57.645 0.534 1
1 291 . 1 1 1 A 32 32 LEU HA H 32 3.831 3.931 -0.100 1
1 292 . 1 1 1 A 32 32 LEU CB C 32 42.008 41.703 0.305 1
1 305 . 1 1 1 A 32 32 LEU C C 32 178.884 179.584 -0.700 1
1 306 . 1 1 1 A 33 33 ARG N N 33 116.036 119.425 -3.389 1
1 307 . 1 1 1 A 33 33 ARG H H 33 7.068 8.274 -1.206 1
1 308 . 1 1 1 A 33 33 ARG CA C 33 58.384 59.372 -0.988 1
1 309 . 1 1 1 A 33 33 ARG HA H 33 4.131 4.062 0.069 1
1 310 . 1 1 1 A 33 33 ARG CB C 33 29.968 30.062 -0.094 1
1 319 . 1 1 1 A 33 33 ARG C C 33 178.701 179.244 -0.543 1
1 320 . 1 1 1 A 34 34 ILE N N 34 116.874 117.715 -0.841 1
1 321 . 1 1 1 A 34 34 ILE H H 34 7.908 8.035 -0.127 1
1 322 . 1 1 1 A 34 34 ILE CA C 34 63.093 63.792 -0.699 1
1 323 . 1 1 1 A 34 34 ILE HA H 34 3.976 3.734 0.242 1
1 324 . 1 1 1 A 34 34 ILE CB C 34 37.654 37.337 0.317 1
1 337 . 1 1 1 A 34 34 ILE C C 34 177.579 177.621 -0.042 1
1 338 . 1 1 1 A 35 35 HIS N N 35 117.636 119.403 -1.767 1
1 339 . 1 1 1 A 35 35 HIS H H 35 7.228 7.412 -0.184 1
1 340 . 1 1 1 A 35 35 HIS CA C 35 55.502 59.606 -4.104 1
1 341 . 1 1 1 A 35 35 HIS HA H 35 4.849 4.281 0.568 1
1 342 . 1 1 1 A 35 35 HIS CB C 35 28.632 30.846 -2.214 1
1 349 . 1 1 1 A 35 35 HIS C C 35 175.806 175.724 0.082 1
1 350 . 1 1 1 A 36 36 THR N N 36 111.751 115.099 -3.348 1
1 351 . 1 1 1 A 36 36 THR H H 36 7.810 7.655 0.155 1
1 352 . 1 1 1 A 36 36 THR CA C 36 62.645 63.749 -1.104 1
1 353 . 1 1 1 A 36 36 THR HA H 36 4.344 3.880 0.464 1
1 354 . 1 1 1 A 36 36 THR CB C 36 69.842 68.917 0.925 1
1 360 . 1 1 1 A 36 36 THR C C 36 175.493 175.735 -0.242 1
1 361 . 1 1 1 A 37 37 GLY N N 37 110.648 116.075 -5.427 1
1 362 . 1 1 1 A 37 37 GLY H H 37 8.229 8.818 -0.589 1
1 363 . 1 1 1 A 37 37 GLY CA C 37 45.270 45.375 -0.105 1
1 364 . 1 1 1 A 37 37 GLY HA2 H 37 4.029 4.094 -0.065 1
1 365 . 1 1 1 A 37 37 GLY HA3 H 37 3.944 4.098 -0.154 1
1 366 . 1 1 1 A 37 37 GLY C C 37 174.050 174.199 -0.149 1
1 367 . 1 1 1 A 38 38 GLU N N 38 120.571 122.746 -2.175 1
1 368 . 1 1 1 A 38 38 GLU H H 38 8.068 8.702 -0.634 1
1 369 . 1 1 1 A 38 38 GLU CA C 38 56.459 55.329 1.130 1
1 370 . 1 1 1 A 38 38 GLU HA H 38 4.245 4.736 -0.491 1
1 371 . 1 1 1 A 38 38 GLU CB C 38 30.556 30.002 0.554 1
1 377 . 1 1 1 A 38 38 GLU C C 38 176.194 175.311 0.883 1
1 378 . 1 1 1 A 39 39 LYS N N 39 123.762 123.829 -0.067 1
1 379 . 1 1 1 A 39 39 LYS H H 39 8.404 8.004 0.400 1
1 380 . 1 1 1 A 39 39 LYS CA C 39 54.107 52.987 1.120 1
1 381 . 1 1 1 A 39 39 LYS HA H 39 4.607 4.844 -0.237 1
1 382 . 1 1 1 A 39 39 LYS CB C 39 32.501 34.398 -1.897 1
1 394 . 1 1 1 A 39 39 LYS C C 39 174.460 176.119 -1.659 1
1 395 . 1 1 1 A 40 40 PRO CA C 40 63.205 64.276 -1.071 1
1 396 . 1 1 1 A 40 40 PRO HA H 40 4.462 4.473 -0.011 1
1 397 . 1 1 1 A 40 40 PRO CB C 40 32.180 32.178 0.002 1
1 406 . 1 1 1 A 42 42 GLY CA C 42 44.664 43.958 0.706 1
1 407 . 1 1 1 A 42 42 GLY HA2 H 42 4.110 4.095 0.015 1
1 408 . 1 1 1 A 42 42 GLY HA3 H 42 4.157 4.096 0.061 1
1 409 . 1 1 1 A 43 43 PRO CA C 43 63.253 64.047 -0.794 1
1 410 . 1 1 1 A 43 43 PRO HA H 43 4.472 4.517 -0.045 1
1 411 . 1 1 1 A 43 43 PRO CB C 43 32.202 31.703 0.499 1
1 1 . 2 1 1 A 9 9 GLY CA C 9 45.191 45.772 -0.581 1
1 2 . 2 1 1 A 9 9 GLY HA2 H 9 3.910 4.030 -0.120 1
1 3 . 2 1 1 A 9 9 GLY HA3 H 9 3.910 4.032 -0.122 1
1 4 . 2 1 1 A 9 9 GLY C C 9 174.087 171.256 2.831 1
1 5 . 2 1 1 A 10 10 GLU N N 10 120.188 120.649 -0.461 1
1 6 . 2 1 1 A 10 10 GLU H H 10 8.196 8.478 -0.282 1
1 7 . 2 1 1 A 10 10 GLU CA C 10 56.995 54.988 2.007 1
1 8 . 2 1 1 A 10 10 GLU HA H 10 4.167 5.120 -0.953 1
1 9 . 2 1 1 A 10 10 GLU CB C 10 30.393 33.322 -2.929 1
1 15 . 2 1 1 A 10 10 GLU C C 10 176.271 175.200 1.071 1
1 16 . 2 1 1 A 11 11 LYS N N 11 120.905 126.275 -5.370 1
1 17 . 2 1 1 A 11 11 LYS H H 11 8.243 8.399 -0.156 1
1 18 . 2 1 1 A 11 11 LYS CA C 11 53.823 53.709 0.114 1
1 19 . 2 1 1 A 11 11 LYS HA H 11 4.538 5.274 -0.736 1
1 20 . 2 1 1 A 11 11 LYS CB C 11 33.303 33.301 0.002 1
1 32 . 2 1 1 A 11 11 LYS C C 11 173.935 175.073 -1.138 1
1 33 . 2 1 1 A 12 12 PRO CA C 12 63.584 64.531 -0.947 1
1 34 . 2 1 1 A 12 12 PRO HA H 12 4.263 4.532 -0.269 1
1 35 . 2 1 1 A 12 12 PRO CB C 12 32.345 31.693 0.652 1
1 44 . 2 1 1 A 12 12 PRO C C 12 176.502 176.149 0.353 1
1 45 . 2 1 1 A 13 13 PHE N N 13 118.504 117.917 0.587 1
1 46 . 2 1 1 A 13 13 PHE H H 13 7.832 7.748 0.084 1
1 47 . 2 1 1 A 13 13 PHE CA C 13 57.518 57.438 0.080 1
1 48 . 2 1 1 A 13 13 PHE HA H 13 4.678 4.910 -0.232 1
1 49 . 2 1 1 A 13 13 PHE CB C 13 39.051 39.885 -0.834 1
1 62 . 2 1 1 A 13 13 PHE C C 13 174.345 174.650 -0.305 1
1 63 . 2 1 1 A 14 14 LYS N N 14 124.932 124.486 0.446 1
1 64 . 2 1 1 A 14 14 LYS H H 14 8.568 9.083 -0.515 1
1 65 . 2 1 1 A 14 14 LYS CA C 14 55.189 54.361 0.828 1
1 66 . 2 1 1 A 14 14 LYS HA H 14 4.997 5.307 -0.310 1
1 67 . 2 1 1 A 14 14 LYS CB C 14 35.460 36.392 -0.932 1
1 79 . 2 1 1 A 14 14 LYS C C 14 175.180 175.041 0.139 1
1 80 . 2 1 1 A 15 15 CYS N N 15 127.244 124.084 3.160 1
1 81 . 2 1 1 A 15 15 CYS H H 15 9.264 9.311 -0.047 1
1 82 . 2 1 1 A 15 15 CYS CA C 15 59.641 58.352 1.289 1
1 83 . 2 1 1 A 15 15 CYS HA H 15 4.567 4.841 -0.274 1
1 84 . 2 1 1 A 15 15 CYS CB C 15 29.799 29.294 0.505 1
1 87 . 2 1 1 A 15 15 CYS C C 15 177.766 176.110 1.656 1
1 88 . 2 1 1 A 16 16 LYS N N 16 132.596 128.563 4.033 1
1 89 . 2 1 1 A 16 16 LYS H H 16 9.452 9.077 0.375 1
1 90 . 2 1 1 A 16 16 LYS CA C 16 58.651 56.221 2.430 1
1 91 . 2 1 1 A 16 16 LYS HA H 16 4.142 4.465 -0.323 1
1 92 . 2 1 1 A 16 16 LYS CB C 16 32.384 32.738 -0.354 1
1 104 . 2 1 1 A 16 16 LYS C C 16 176.701 177.738 -1.037 1
1 105 . 2 1 1 A 17 17 GLU N N 17 120.589 120.237 0.352 1
1 106 . 2 1 1 A 17 17 GLU H H 17 8.832 7.876 0.956 1
1 107 . 2 1 1 A 17 17 GLU CA C 17 57.941 57.140 0.801 1
1 108 . 2 1 1 A 17 17 GLU HA H 17 4.228 4.540 -0.312 1
1 109 . 2 1 1 A 17 17 GLU CB C 17 29.158 31.771 -2.613 1
1 115 . 2 1 1 A 17 17 GLU C C 17 177.504 178.146 -0.642 1
1 116 . 2 1 1 A 18 18 CYS N N 18 115.823 114.643 1.180 1
1 117 . 2 1 1 A 18 18 CYS H H 18 8.345 8.191 0.154 1
1 118 . 2 1 1 A 18 18 CYS CA C 18 58.442 59.615 -1.173 1
1 119 . 2 1 1 A 18 18 CYS HA H 18 5.196 4.796 0.400 1
1 120 . 2 1 1 A 18 18 CYS CB C 18 32.566 30.041 2.525 1
1 123 . 2 1 1 A 18 18 CYS C C 18 176.419 175.595 0.824 1
1 124 . 2 1 1 A 19 19 GLY N N 19 113.312 109.800 3.512 1
1 125 . 2 1 1 A 19 19 GLY H H 19 8.066 8.008 0.058 1
1 126 . 2 1 1 A 19 19 GLY CA C 19 46.235 45.219 1.016 1
1 127 . 2 1 1 A 19 19 GLY HA2 H 19 3.778 4.046 -0.268 1
1 128 . 2 1 1 A 19 19 GLY HA3 H 19 4.257 4.064 0.193 1
1 129 . 2 1 1 A 19 19 GLY C C 19 173.644 174.514 -0.870 1
1 130 . 2 1 1 A 20 20 LYS N N 20 123.577 122.391 1.186 1
1 131 . 2 1 1 A 20 20 LYS H H 20 7.997 7.494 0.503 1
1 132 . 2 1 1 A 20 20 LYS CA C 20 58.469 56.543 1.926 1
1 133 . 2 1 1 A 20 20 LYS HA H 20 3.908 4.013 -0.105 1
1 134 . 2 1 1 A 20 20 LYS CB C 20 33.466 33.137 0.329 1
1 146 . 2 1 1 A 20 20 LYS C C 20 173.507 175.707 -2.200 1
1 147 . 2 1 1 A 21 21 ALA N N 21 124.329 127.177 -2.848 1
1 148 . 2 1 1 A 21 21 ALA H H 21 7.783 8.125 -0.342 1
1 149 . 2 1 1 A 21 21 ALA CA C 21 50.334 50.123 0.211 1
1 150 . 2 1 1 A 21 21 ALA HA H 21 5.185 5.152 0.033 1
1 151 . 2 1 1 A 21 21 ALA CB C 21 22.524 22.293 0.231 1
1 155 . 2 1 1 A 21 21 ALA C C 21 176.077 175.968 0.109 1
1 156 . 2 1 1 A 22 22 PHE N N 22 116.711 115.793 0.918 1
1 157 . 2 1 1 A 22 22 PHE H H 22 8.847 9.085 -0.238 1
1 158 . 2 1 1 A 22 22 PHE CA C 22 57.330 56.905 0.425 1
1 159 . 2 1 1 A 22 22 PHE HA H 22 4.775 5.002 -0.227 1
1 160 . 2 1 1 A 22 22 PHE CB C 22 43.939 44.050 -0.111 1
1 173 . 2 1 1 A 22 22 PHE C C 22 175.213 175.372 -0.159 1
1 174 . 2 1 1 A 23 23 ARG N N 23 120.534 121.986 -1.452 1
1 175 . 2 1 1 A 23 23 ARG H H 23 9.558 8.971 0.587 1
1 176 . 2 1 1 A 23 23 ARG CA C 23 58.450 57.102 1.348 1
1 177 . 2 1 1 A 23 23 ARG HA H 23 4.579 4.624 -0.045 1
1 178 . 2 1 1 A 23 23 ARG CB C 23 31.693 31.957 -0.264 1
1 187 . 2 1 1 A 23 23 ARG C C 23 176.152 175.433 0.719 1
1 188 . 2 1 1 A 24 24 GLN N N 24 112.058 117.206 -5.148 1
1 189 . 2 1 1 A 24 24 GLN H H 24 7.643 7.663 -0.020 1
1 190 . 2 1 1 A 24 24 GLN CA C 24 53.900 54.365 -0.465 1
1 191 . 2 1 1 A 24 24 GLN HA H 24 4.749 4.633 0.116 1
1 192 . 2 1 1 A 24 24 GLN CB C 24 32.181 31.484 0.697 1
1 201 . 2 1 1 A 24 24 GLN C C 24 176.122 175.829 0.293 1
1 202 . 2 1 1 A 25 25 ASN CA C 25 56.267 55.136 1.131 1
1 203 . 2 1 1 A 25 25 ASN HA H 25 3.435 3.449 -0.014 1
1 204 . 2 1 1 A 25 25 ASN CB C 25 37.777 37.042 0.735 1
1 210 . 2 1 1 A 25 25 ASN C C 25 177.746 177.315 0.431 1
1 211 . 2 1 1 A 26 26 ILE N N 26 115.551 122.391 -6.840 1
1 212 . 2 1 1 A 26 26 ILE H H 26 8.132 7.842 0.290 1
1 213 . 2 1 1 A 26 26 ILE CA C 26 63.728 63.967 -0.239 1
1 214 . 2 1 1 A 26 26 ILE HA H 26 3.895 3.707 0.188 1
1 215 . 2 1 1 A 26 26 ILE CB C 26 37.791 37.895 -0.104 1
1 228 . 2 1 1 A 26 26 ILE C C 26 177.174 177.563 -0.389 1
1 229 . 2 1 1 A 27 27 HIS N N 27 120.664 120.994 -0.330 1
1 230 . 2 1 1 A 27 27 HIS H H 27 6.592 7.738 -1.146 1
1 231 . 2 1 1 A 27 27 HIS CA C 27 56.928 59.612 -2.684 1
1 232 . 2 1 1 A 27 27 HIS HA H 27 4.515 4.260 0.255 1
1 233 . 2 1 1 A 27 27 HIS CB C 27 31.690 30.052 1.638 1
1 240 . 2 1 1 A 27 27 HIS C C 27 178.354 177.058 1.296 1
1 241 . 2 1 1 A 28 28 LEU N N 28 122.071 120.416 1.655 1
1 242 . 2 1 1 A 28 28 LEU H H 28 6.883 7.400 -0.517 1
1 243 . 2 1 1 A 28 28 LEU CA C 28 57.620 57.238 0.382 1
1 244 . 2 1 1 A 28 28 LEU HA H 28 3.326 2.041 1.285 1
1 245 . 2 1 1 A 28 28 LEU CB C 28 40.160 41.081 -0.921 1
1 258 . 2 1 1 A 28 28 LEU C C 28 177.151 177.843 -0.692 1
1 259 . 2 1 1 A 29 29 ALA N N 29 120.705 120.852 -0.147 1
1 260 . 2 1 1 A 29 29 ALA H H 29 8.279 8.076 0.203 1
1 261 . 2 1 1 A 29 29 ALA CA C 29 55.529 55.214 0.315 1
1 262 . 2 1 1 A 29 29 ALA HA H 29 3.938 3.998 -0.060 1
1 263 . 2 1 1 A 29 29 ALA CB C 29 17.758 18.134 -0.376 1
1 267 . 2 1 1 A 29 29 ALA C C 29 180.633 179.828 0.805 1
1 268 . 2 1 1 A 30 30 SER N N 30 111.186 113.431 -2.245 1
1 269 . 2 1 1 A 30 30 SER H H 30 7.532 7.886 -0.354 1
1 270 . 2 1 1 A 30 30 SER CA C 30 61.154 60.715 0.439 1
1 271 . 2 1 1 A 30 30 SER HA H 30 4.145 4.174 -0.029 1
1 272 . 2 1 1 A 30 30 SER CB C 30 62.792 63.057 -0.265 1
1 275 . 2 1 1 A 30 30 SER C C 30 176.819 176.581 0.238 1
1 276 . 2 1 1 A 31 31 HIS N N 31 122.310 121.321 0.989 1
1 277 . 2 1 1 A 31 31 HIS H H 31 7.533 7.723 -0.190 1
1 278 . 2 1 1 A 31 31 HIS CA C 31 59.375 59.527 -0.152 1
1 279 . 2 1 1 A 31 31 HIS HA H 31 4.196 4.300 -0.104 1
1 280 . 2 1 1 A 31 31 HIS CB C 31 28.704 30.075 -1.371 1
1 287 . 2 1 1 A 31 31 HIS C C 31 176.094 177.256 -1.162 1
1 288 . 2 1 1 A 32 32 LEU N N 32 116.904 119.247 -2.343 1
1 289 . 2 1 1 A 32 32 LEU H H 32 8.410 8.875 -0.465 1
1 290 . 2 1 1 A 32 32 LEU CA C 32 58.179 57.735 0.444 1
1 291 . 2 1 1 A 32 32 LEU HA H 32 3.831 3.732 0.099 1
1 292 . 2 1 1 A 32 32 LEU CB C 32 42.008 41.506 0.502 1
1 305 . 2 1 1 A 32 32 LEU C C 32 178.884 179.419 -0.535 1
1 306 . 2 1 1 A 33 33 ARG N N 33 116.036 119.551 -3.515 1
1 307 . 2 1 1 A 33 33 ARG H H 33 7.068 8.149 -1.081 1
1 308 . 2 1 1 A 33 33 ARG CA C 33 58.384 59.624 -1.240 1
1 309 . 2 1 1 A 33 33 ARG HA H 33 4.131 4.014 0.117 1
1 310 . 2 1 1 A 33 33 ARG CB C 33 29.968 30.273 -0.305 1
1 319 . 2 1 1 A 33 33 ARG C C 33 178.701 179.161 -0.460 1
1 320 . 2 1 1 A 34 34 ILE N N 34 116.874 118.025 -1.151 1
1 321 . 2 1 1 A 34 34 ILE H H 34 7.908 8.005 -0.097 1
1 322 . 2 1 1 A 34 34 ILE CA C 34 63.093 64.055 -0.962 1
1 323 . 2 1 1 A 34 34 ILE HA H 34 3.976 3.795 0.181 1
1 324 . 2 1 1 A 34 34 ILE CB C 34 37.654 37.460 0.194 1
1 337 . 2 1 1 A 34 34 ILE C C 34 177.579 177.522 0.057 1
1 338 . 2 1 1 A 35 35 HIS N N 35 117.636 121.128 -3.492 1
1 339 . 2 1 1 A 35 35 HIS H H 35 7.228 7.646 -0.418 1
1 340 . 2 1 1 A 35 35 HIS CA C 35 55.502 60.114 -4.612 1
1 341 . 2 1 1 A 35 35 HIS HA H 35 4.849 4.205 0.644 1
1 342 . 2 1 1 A 35 35 HIS CB C 35 28.632 30.232 -1.600 1
1 349 . 2 1 1 A 35 35 HIS C C 35 175.806 177.922 -2.116 1
1 350 . 2 1 1 A 36 36 THR N N 36 111.751 115.186 -3.435 1
1 351 . 2 1 1 A 36 36 THR H H 36 7.810 8.607 -0.797 1
1 352 . 2 1 1 A 36 36 THR CA C 36 62.645 65.585 -2.940 1
1 353 . 2 1 1 A 36 36 THR HA H 36 4.344 3.909 0.435 1
1 354 . 2 1 1 A 36 36 THR CB C 36 69.842 68.925 0.917 1
1 360 . 2 1 1 A 36 36 THR C C 36 175.493 176.019 -0.526 1
1 361 . 2 1 1 A 37 37 GLY N N 37 110.648 108.359 2.289 1
1 362 . 2 1 1 A 37 37 GLY H H 37 8.229 8.461 -0.232 1
1 363 . 2 1 1 A 37 37 GLY CA C 37 45.270 47.207 -1.937 1
1 364 . 2 1 1 A 37 37 GLY HA2 H 37 4.029 3.781 0.248 1
1 365 . 2 1 1 A 37 37 GLY HA3 H 37 3.944 3.789 0.155 1
1 366 . 2 1 1 A 37 37 GLY C C 37 174.050 173.891 0.159 1
1 367 . 2 1 1 A 38 38 GLU N N 38 120.571 120.845 -0.274 1
1 368 . 2 1 1 A 38 38 GLU H H 38 8.068 8.054 0.014 1
1 369 . 2 1 1 A 38 38 GLU CA C 38 56.459 54.813 1.646 1
1 370 . 2 1 1 A 38 38 GLU HA H 38 4.245 4.953 -0.708 1
1 371 . 2 1 1 A 38 38 GLU CB C 38 30.556 33.350 -2.794 1
1 377 . 2 1 1 A 38 38 GLU C C 38 176.194 174.614 1.580 1
1 378 . 2 1 1 A 39 39 LYS N N 39 123.762 123.494 0.268 1
1 379 . 2 1 1 A 39 39 LYS H H 39 8.404 8.987 -0.583 1
1 380 . 2 1 1 A 39 39 LYS CA C 39 54.107 53.497 0.610 1
1 381 . 2 1 1 A 39 39 LYS HA H 39 4.607 4.914 -0.307 1
1 382 . 2 1 1 A 39 39 LYS CB C 39 32.501 35.533 -3.032 1
1 394 . 2 1 1 A 39 39 LYS C C 39 174.460 176.043 -1.583 1
1 395 . 2 1 1 A 40 40 PRO CA C 40 63.205 64.405 -1.200 1
1 396 . 2 1 1 A 40 40 PRO HA H 40 4.462 4.473 -0.011 1
1 397 . 2 1 1 A 40 40 PRO CB C 40 32.180 32.221 -0.041 1
1 406 . 2 1 1 A 42 42 GLY CA C 42 44.664 45.353 -0.689 1
1 407 . 2 1 1 A 42 42 GLY HA2 H 42 4.110 4.161 -0.051 1
1 408 . 2 1 1 A 42 42 GLY HA3 H 42 4.157 4.162 -0.005 1
1 409 . 2 1 1 A 43 43 PRO CA C 43 63.253 62.702 0.551 1
1 410 . 2 1 1 A 43 43 PRO HA H 43 4.472 4.684 -0.212 1
1 411 . 2 1 1 A 43 43 PRO CB C 43 32.202 33.642 -1.440 1
1 1 . 3 1 1 A 9 9 GLY CA C 9 45.191 46.418 -1.227 1
1 2 . 3 1 1 A 9 9 GLY HA2 H 9 3.910 3.956 -0.046 1
1 3 . 3 1 1 A 9 9 GLY HA3 H 9 3.910 3.961 -0.051 1
1 4 . 3 1 1 A 9 9 GLY C C 9 174.087 174.672 -0.585 1
1 5 . 3 1 1 A 10 10 GLU N N 10 120.188 118.553 1.635 1
1 6 . 3 1 1 A 10 10 GLU H H 10 8.196 7.799 0.397 1
1 7 . 3 1 1 A 10 10 GLU CA C 10 56.995 55.661 1.334 1
1 8 . 3 1 1 A 10 10 GLU HA H 10 4.167 4.568 -0.401 1
1 9 . 3 1 1 A 10 10 GLU CB C 10 30.393 30.582 -0.189 1
1 15 . 3 1 1 A 10 10 GLU C C 10 176.271 175.354 0.917 1
1 16 . 3 1 1 A 11 11 LYS N N 11 120.905 120.412 0.493 1
1 17 . 3 1 1 A 11 11 LYS H H 11 8.243 7.354 0.889 1
1 18 . 3 1 1 A 11 11 LYS CA C 11 53.823 52.907 0.916 1
1 19 . 3 1 1 A 11 11 LYS HA H 11 4.538 4.685 -0.147 1
1 20 . 3 1 1 A 11 11 LYS CB C 11 33.303 34.064 -0.761 1
1 32 . 3 1 1 A 11 11 LYS C C 11 173.935 176.342 -2.407 1
1 33 . 3 1 1 A 12 12 PRO CA C 12 63.584 64.637 -1.053 1
1 34 . 3 1 1 A 12 12 PRO HA H 12 4.263 4.289 -0.026 1
1 35 . 3 1 1 A 12 12 PRO CB C 12 32.345 31.873 0.472 1
1 44 . 3 1 1 A 12 12 PRO C C 12 176.502 176.138 0.364 1
1 45 . 3 1 1 A 13 13 PHE N N 13 118.504 118.147 0.357 1
1 46 . 3 1 1 A 13 13 PHE H H 13 7.832 7.318 0.514 1
1 47 . 3 1 1 A 13 13 PHE CA C 13 57.518 57.214 0.304 1
1 48 . 3 1 1 A 13 13 PHE HA H 13 4.678 5.114 -0.436 1
1 49 . 3 1 1 A 13 13 PHE CB C 13 39.051 41.162 -2.111 1
1 62 . 3 1 1 A 13 13 PHE C C 13 174.345 174.709 -0.364 1
1 63 . 3 1 1 A 14 14 LYS N N 14 124.932 123.366 1.566 1
1 64 . 3 1 1 A 14 14 LYS H H 14 8.568 9.052 -0.484 1
1 65 . 3 1 1 A 14 14 LYS CA C 14 55.189 54.845 0.344 1
1 66 . 3 1 1 A 14 14 LYS HA H 14 4.997 5.450 -0.453 1
1 67 . 3 1 1 A 14 14 LYS CB C 14 35.460 36.016 -0.556 1
1 79 . 3 1 1 A 14 14 LYS C C 14 175.180 175.742 -0.562 1
1 80 . 3 1 1 A 15 15 CYS N N 15 127.244 125.341 1.903 1
1 81 . 3 1 1 A 15 15 CYS H H 15 9.264 9.644 -0.380 1
1 82 . 3 1 1 A 15 15 CYS CA C 15 59.641 60.392 -0.751 1
1 83 . 3 1 1 A 15 15 CYS HA H 15 4.567 4.584 -0.017 1
1 84 . 3 1 1 A 15 15 CYS CB C 15 29.799 28.659 1.140 1
1 87 . 3 1 1 A 15 15 CYS C C 15 177.766 176.464 1.302 1
1 88 . 3 1 1 A 16 16 LYS N N 16 132.596 128.195 4.401 1
1 89 . 3 1 1 A 16 16 LYS H H 16 9.452 9.061 0.391 1
1 90 . 3 1 1 A 16 16 LYS CA C 16 58.651 56.232 2.419 1
1 91 . 3 1 1 A 16 16 LYS HA H 16 4.142 4.482 -0.340 1
1 92 . 3 1 1 A 16 16 LYS CB C 16 32.384 32.821 -0.437 1
1 104 . 3 1 1 A 16 16 LYS C C 16 176.701 177.587 -0.886 1
1 105 . 3 1 1 A 17 17 GLU N N 17 120.589 120.207 0.382 1
1 106 . 3 1 1 A 17 17 GLU H H 17 8.832 7.838 0.994 1
1 107 . 3 1 1 A 17 17 GLU CA C 17 57.941 56.966 0.975 1
1 108 . 3 1 1 A 17 17 GLU HA H 17 4.228 4.402 -0.174 1
1 109 . 3 1 1 A 17 17 GLU CB C 17 29.158 31.578 -2.420 1
1 115 . 3 1 1 A 17 17 GLU C C 17 177.504 177.634 -0.130 1
1 116 . 3 1 1 A 18 18 CYS N N 18 115.823 114.829 0.994 1
1 117 . 3 1 1 A 18 18 CYS H H 18 8.345 8.078 0.267 1
1 118 . 3 1 1 A 18 18 CYS CA C 18 58.442 59.730 -1.288 1
1 119 . 3 1 1 A 18 18 CYS HA H 18 5.196 4.649 0.547 1
1 120 . 3 1 1 A 18 18 CYS CB C 18 32.566 29.908 2.658 1
1 123 . 3 1 1 A 18 18 CYS C C 18 176.419 175.537 0.882 1
1 124 . 3 1 1 A 19 19 GLY N N 19 113.312 110.083 3.229 1
1 125 . 3 1 1 A 19 19 GLY H H 19 8.066 8.083 -0.017 1
1 126 . 3 1 1 A 19 19 GLY CA C 19 46.235 45.149 1.086 1
1 127 . 3 1 1 A 19 19 GLY HA2 H 19 3.778 4.066 -0.288 1
1 128 . 3 1 1 A 19 19 GLY HA3 H 19 4.257 4.082 0.175 1
1 129 . 3 1 1 A 19 19 GLY C C 19 173.644 174.487 -0.843 1
1 130 . 3 1 1 A 20 20 LYS N N 20 123.577 121.719 1.858 1
1 131 . 3 1 1 A 20 20 LYS H H 20 7.997 7.479 0.518 1
1 132 . 3 1 1 A 20 20 LYS CA C 20 58.469 55.597 2.872 1
1 133 . 3 1 1 A 20 20 LYS HA H 20 3.908 4.211 -0.303 1
1 134 . 3 1 1 A 20 20 LYS CB C 20 33.466 33.634 -0.168 1
1 146 . 3 1 1 A 20 20 LYS C C 20 173.507 175.287 -1.780 1
1 147 . 3 1 1 A 21 21 ALA N N 21 124.329 127.157 -2.828 1
1 148 . 3 1 1 A 21 21 ALA H H 21 7.783 8.391 -0.608 1
1 149 . 3 1 1 A 21 21 ALA CA C 21 50.334 49.702 0.632 1
1 150 . 3 1 1 A 21 21 ALA HA H 21 5.185 5.645 -0.460 1
1 151 . 3 1 1 A 21 21 ALA CB C 21 22.524 22.544 -0.020 1
1 155 . 3 1 1 A 21 21 ALA C C 21 176.077 175.878 0.199 1
1 156 . 3 1 1 A 22 22 PHE N N 22 116.711 117.468 -0.757 1
1 157 . 3 1 1 A 22 22 PHE H H 22 8.847 8.974 -0.127 1
1 158 . 3 1 1 A 22 22 PHE CA C 22 57.330 56.145 1.185 1
1 159 . 3 1 1 A 22 22 PHE HA H 22 4.775 4.982 -0.207 1
1 160 . 3 1 1 A 22 22 PHE CB C 22 43.939 42.280 1.659 1
1 173 . 3 1 1 A 22 22 PHE C C 22 175.213 176.216 -1.003 1
1 174 . 3 1 1 A 23 23 ARG N N 23 120.534 121.548 -1.014 1
1 175 . 3 1 1 A 23 23 ARG H H 23 9.558 8.897 0.661 1
1 176 . 3 1 1 A 23 23 ARG CA C 23 58.450 58.720 -0.270 1
1 177 . 3 1 1 A 23 23 ARG HA H 23 4.579 4.337 0.242 1
1 178 . 3 1 1 A 23 23 ARG CB C 23 31.693 30.185 1.508 1
1 187 . 3 1 1 A 23 23 ARG C C 23 176.152 176.491 -0.339 1
1 188 . 3 1 1 A 24 24 GLN N N 24 112.058 118.657 -6.599 1
1 189 . 3 1 1 A 24 24 GLN H H 24 7.643 8.017 -0.374 1
1 190 . 3 1 1 A 24 24 GLN CA C 24 53.900 54.327 -0.427 1
1 191 . 3 1 1 A 24 24 GLN HA H 24 4.749 4.878 -0.129 1
1 192 . 3 1 1 A 24 24 GLN CB C 24 32.181 31.671 0.510 1
1 201 . 3 1 1 A 24 24 GLN C C 24 176.122 175.910 0.212 1
1 202 . 3 1 1 A 25 25 ASN CA C 25 56.267 55.273 0.994 1
1 203 . 3 1 1 A 25 25 ASN HA H 25 3.435 2.847 0.588 1
1 204 . 3 1 1 A 25 25 ASN CB C 25 37.777 36.849 0.928 1
1 210 . 3 1 1 A 25 25 ASN C C 25 177.746 176.896 0.850 1
1 211 . 3 1 1 A 26 26 ILE N N 26 115.551 120.679 -5.128 1
1 212 . 3 1 1 A 26 26 ILE H H 26 8.132 7.835 0.297 1
1 213 . 3 1 1 A 26 26 ILE CA C 26 63.728 64.262 -0.534 1
1 214 . 3 1 1 A 26 26 ILE HA H 26 3.895 3.682 0.213 1
1 215 . 3 1 1 A 26 26 ILE CB C 26 37.791 37.515 0.276 1
1 228 . 3 1 1 A 26 26 ILE C C 26 177.174 177.353 -0.179 1
1 229 . 3 1 1 A 27 27 HIS N N 27 120.664 120.202 0.462 1
1 230 . 3 1 1 A 27 27 HIS H H 27 6.592 7.987 -1.395 1
1 231 . 3 1 1 A 27 27 HIS CA C 27 56.928 59.138 -2.210 1
1 232 . 3 1 1 A 27 27 HIS HA H 27 4.515 4.222 0.293 1
1 233 . 3 1 1 A 27 27 HIS CB C 27 31.690 30.314 1.376 1
1 240 . 3 1 1 A 27 27 HIS C C 27 178.354 177.117 1.237 1
1 241 . 3 1 1 A 28 28 LEU N N 28 122.071 120.123 1.948 1
1 242 . 3 1 1 A 28 28 LEU H H 28 6.883 7.403 -0.520 1
1 243 . 3 1 1 A 28 28 LEU CA C 28 57.620 57.172 0.448 1
1 244 . 3 1 1 A 28 28 LEU HA H 28 3.326 1.812 1.514 1
1 245 . 3 1 1 A 28 28 LEU CB C 28 40.160 40.997 -0.837 1
1 258 . 3 1 1 A 28 28 LEU C C 28 177.151 177.847 -0.696 1
1 259 . 3 1 1 A 29 29 ALA N N 29 120.705 120.777 -0.072 1
1 260 . 3 1 1 A 29 29 ALA H H 29 8.279 8.355 -0.076 1
1 261 . 3 1 1 A 29 29 ALA CA C 29 55.529 54.775 0.754 1
1 262 . 3 1 1 A 29 29 ALA HA H 29 3.938 3.983 -0.045 1
1 263 . 3 1 1 A 29 29 ALA CB C 29 17.758 17.824 -0.066 1
1 267 . 3 1 1 A 29 29 ALA C C 29 180.633 179.950 0.683 1
1 268 . 3 1 1 A 30 30 SER N N 30 111.186 114.534 -3.348 1
1 269 . 3 1 1 A 30 30 SER H H 30 7.532 7.993 -0.461 1
1 270 . 3 1 1 A 30 30 SER CA C 30 61.154 60.879 0.275 1
1 271 . 3 1 1 A 30 30 SER HA H 30 4.145 4.294 -0.149 1
1 272 . 3 1 1 A 30 30 SER CB C 30 62.792 63.361 -0.569 1
1 275 . 3 1 1 A 30 30 SER C C 30 176.819 175.947 0.872 1
1 276 . 3 1 1 A 31 31 HIS N N 31 122.310 121.654 0.656 1
1 277 . 3 1 1 A 31 31 HIS H H 31 7.533 7.871 -0.338 1
1 278 . 3 1 1 A 31 31 HIS CA C 31 59.375 59.201 0.174 1
1 279 . 3 1 1 A 31 31 HIS HA H 31 4.196 4.329 -0.133 1
1 280 . 3 1 1 A 31 31 HIS CB C 31 28.704 30.372 -1.668 1
1 287 . 3 1 1 A 31 31 HIS C C 31 176.094 177.063 -0.969 1
1 288 . 3 1 1 A 32 32 LEU N N 32 116.904 119.339 -2.435 1
1 289 . 3 1 1 A 32 32 LEU H H 32 8.410 8.707 -0.297 1
1 290 . 3 1 1 A 32 32 LEU CA C 32 58.179 58.211 -0.032 1
1 291 . 3 1 1 A 32 32 LEU HA H 32 3.831 3.978 -0.147 1
1 292 . 3 1 1 A 32 32 LEU CB C 32 42.008 41.383 0.625 1
1 305 . 3 1 1 A 32 32 LEU C C 32 178.884 179.504 -0.620 1
1 306 . 3 1 1 A 33 33 ARG N N 33 116.036 117.309 -1.273 1
1 307 . 3 1 1 A 33 33 ARG H H 33 7.068 8.374 -1.306 1
1 308 . 3 1 1 A 33 33 ARG CA C 33 58.384 58.543 -0.159 1
1 309 . 3 1 1 A 33 33 ARG HA H 33 4.131 4.090 0.041 1
1 310 . 3 1 1 A 33 33 ARG CB C 33 29.968 29.785 0.183 1
1 319 . 3 1 1 A 33 33 ARG C C 33 178.701 177.489 1.212 1
1 320 . 3 1 1 A 34 34 ILE N N 34 116.874 115.859 1.015 1
1 321 . 3 1 1 A 34 34 ILE H H 34 7.908 7.854 0.054 1
1 322 . 3 1 1 A 34 34 ILE CA C 34 63.093 63.091 0.002 1
1 323 . 3 1 1 A 34 34 ILE HA H 34 3.976 3.811 0.165 1
1 324 . 3 1 1 A 34 34 ILE CB C 34 37.654 37.258 0.396 1
1 337 . 3 1 1 A 34 34 ILE C C 34 177.579 176.647 0.932 1
1 338 . 3 1 1 A 35 35 HIS N N 35 117.636 118.896 -1.260 1
1 339 . 3 1 1 A 35 35 HIS H H 35 7.228 8.232 -1.004 1
1 340 . 3 1 1 A 35 35 HIS CA C 35 55.502 56.834 -1.332 1
1 341 . 3 1 1 A 35 35 HIS HA H 35 4.849 4.635 0.214 1
1 342 . 3 1 1 A 35 35 HIS CB C 35 28.632 31.453 -2.821 1
1 349 . 3 1 1 A 35 35 HIS C C 35 175.806 175.232 0.574 1
1 350 . 3 1 1 A 36 36 THR N N 36 111.751 111.697 0.054 1
1 351 . 3 1 1 A 36 36 THR H H 36 7.810 7.118 0.692 1
1 352 . 3 1 1 A 36 36 THR CA C 36 62.645 62.482 0.163 1
1 353 . 3 1 1 A 36 36 THR HA H 36 4.344 4.155 0.189 1
1 354 . 3 1 1 A 36 36 THR CB C 36 69.842 69.413 0.429 1
1 360 . 3 1 1 A 36 36 THR C C 36 175.493 174.919 0.574 1
1 361 . 3 1 1 A 37 37 GLY N N 37 110.648 109.998 0.650 1
1 362 . 3 1 1 A 37 37 GLY H H 37 8.229 8.413 -0.184 1
1 363 . 3 1 1 A 37 37 GLY CA C 37 45.270 44.608 0.662 1
1 364 . 3 1 1 A 37 37 GLY HA2 H 37 4.029 4.232 -0.203 1
1 365 . 3 1 1 A 37 37 GLY HA3 H 37 3.944 4.238 -0.294 1
1 366 . 3 1 1 A 37 37 GLY C C 37 174.050 174.763 -0.713 1
1 367 . 3 1 1 A 38 38 GLU N N 38 120.571 119.351 1.220 1
1 368 . 3 1 1 A 38 38 GLU H H 38 8.068 8.440 -0.372 1
1 369 . 3 1 1 A 38 38 GLU CA C 38 56.459 56.564 -0.105 1
1 370 . 3 1 1 A 38 38 GLU HA H 38 4.245 4.367 -0.122 1
1 371 . 3 1 1 A 38 38 GLU CB C 38 30.556 30.042 0.514 1
1 377 . 3 1 1 A 38 38 GLU C C 38 176.194 175.910 0.284 1
1 378 . 3 1 1 A 39 39 LYS N N 39 123.762 116.940 6.822 1
1 379 . 3 1 1 A 39 39 LYS H H 39 8.404 7.342 1.062 1
1 380 . 3 1 1 A 39 39 LYS CA C 39 54.107 53.792 0.315 1
1 381 . 3 1 1 A 39 39 LYS HA H 39 4.607 4.892 -0.285 1
1 382 . 3 1 1 A 39 39 LYS CB C 39 32.501 34.089 -1.588 1
1 394 . 3 1 1 A 39 39 LYS C C 39 174.460 174.580 -0.120 1
1 395 . 3 1 1 A 40 40 PRO CA C 40 63.205 62.661 0.544 1
1 396 . 3 1 1 A 40 40 PRO HA H 40 4.462 4.697 -0.235 1
1 397 . 3 1 1 A 40 40 PRO CB C 40 32.180 31.459 0.721 1
1 406 . 3 1 1 A 42 42 GLY CA C 42 44.664 44.798 -0.134 1
1 407 . 3 1 1 A 42 42 GLY HA2 H 42 4.110 4.102 0.008 1
1 408 . 3 1 1 A 42 42 GLY HA3 H 42 4.157 4.102 0.055 1
1 409 . 3 1 1 A 43 43 PRO CA C 43 63.253 63.898 -0.645 1
1 410 . 3 1 1 A 43 43 PRO HA H 43 4.472 4.545 -0.073 1
1 411 . 3 1 1 A 43 43 PRO CB C 43 32.202 31.774 0.428 1
1 1 . 4 1 1 A 9 9 GLY CA C 9 45.191 44.973 0.218 1
1 2 . 4 1 1 A 9 9 GLY HA2 H 9 3.910 4.125 -0.215 1
1 3 . 4 1 1 A 9 9 GLY HA3 H 9 3.910 4.131 -0.221 1
1 4 . 4 1 1 A 9 9 GLY C C 9 174.087 173.066 1.021 1
1 5 . 4 1 1 A 10 10 GLU N N 10 120.188 125.242 -5.054 1
1 6 . 4 1 1 A 10 10 GLU H H 10 8.196 8.227 -0.031 1
1 7 . 4 1 1 A 10 10 GLU CA C 10 56.995 56.389 0.606 1
1 8 . 4 1 1 A 10 10 GLU HA H 10 4.167 4.804 -0.637 1
1 9 . 4 1 1 A 10 10 GLU CB C 10 30.393 32.039 -1.646 1
1 15 . 4 1 1 A 10 10 GLU C C 10 176.271 174.549 1.722 1
1 16 . 4 1 1 A 11 11 LYS N N 11 120.905 126.322 -5.417 1
1 17 . 4 1 1 A 11 11 LYS H H 11 8.243 8.728 -0.485 1
1 18 . 4 1 1 A 11 11 LYS CA C 11 53.823 53.440 0.383 1
1 19 . 4 1 1 A 11 11 LYS HA H 11 4.538 4.791 -0.253 1
1 20 . 4 1 1 A 11 11 LYS CB C 11 33.303 33.113 0.190 1
1 32 . 4 1 1 A 11 11 LYS C C 11 173.935 174.923 -0.988 1
1 33 . 4 1 1 A 12 12 PRO CA C 12 63.584 64.466 -0.882 1
1 34 . 4 1 1 A 12 12 PRO HA H 12 4.263 4.558 -0.295 1
1 35 . 4 1 1 A 12 12 PRO CB C 12 32.345 31.692 0.653 1
1 44 . 4 1 1 A 12 12 PRO C C 12 176.502 176.422 0.080 1
1 45 . 4 1 1 A 13 13 PHE N N 13 118.504 118.541 -0.037 1
1 46 . 4 1 1 A 13 13 PHE H H 13 7.832 7.518 0.314 1
1 47 . 4 1 1 A 13 13 PHE CA C 13 57.518 56.948 0.570 1
1 48 . 4 1 1 A 13 13 PHE HA H 13 4.678 4.828 -0.150 1
1 49 . 4 1 1 A 13 13 PHE CB C 13 39.051 39.011 0.040 1
1 62 . 4 1 1 A 13 13 PHE C C 13 174.345 175.282 -0.937 1
1 63 . 4 1 1 A 14 14 LYS N N 14 124.932 124.286 0.646 1
1 64 . 4 1 1 A 14 14 LYS H H 14 8.568 8.842 -0.274 1
1 65 . 4 1 1 A 14 14 LYS CA C 14 55.189 54.636 0.553 1
1 66 . 4 1 1 A 14 14 LYS HA H 14 4.997 5.327 -0.330 1
1 67 . 4 1 1 A 14 14 LYS CB C 14 35.460 35.307 0.153 1
1 79 . 4 1 1 A 14 14 LYS C C 14 175.180 175.994 -0.814 1
1 80 . 4 1 1 A 15 15 CYS N N 15 127.244 125.561 1.683 1
1 81 . 4 1 1 A 15 15 CYS H H 15 9.264 9.293 -0.029 1
1 82 . 4 1 1 A 15 15 CYS CA C 15 59.641 60.379 -0.738 1
1 83 . 4 1 1 A 15 15 CYS HA H 15 4.567 4.463 0.104 1
1 84 . 4 1 1 A 15 15 CYS CB C 15 29.799 28.824 0.975 1
1 87 . 4 1 1 A 15 15 CYS C C 15 177.766 176.333 1.433 1
1 88 . 4 1 1 A 16 16 LYS N N 16 132.596 128.102 4.494 1
1 89 . 4 1 1 A 16 16 LYS H H 16 9.452 8.865 0.587 1
1 90 . 4 1 1 A 16 16 LYS CA C 16 58.651 56.308 2.343 1
1 91 . 4 1 1 A 16 16 LYS HA H 16 4.142 4.436 -0.294 1
1 92 . 4 1 1 A 16 16 LYS CB C 16 32.384 32.700 -0.316 1
1 104 . 4 1 1 A 16 16 LYS C C 16 176.701 177.564 -0.863 1
1 105 . 4 1 1 A 17 17 GLU N N 17 120.589 120.391 0.198 1
1 106 . 4 1 1 A 17 17 GLU H H 17 8.832 7.835 0.997 1
1 107 . 4 1 1 A 17 17 GLU CA C 17 57.941 57.082 0.859 1
1 108 . 4 1 1 A 17 17 GLU HA H 17 4.228 4.464 -0.236 1
1 109 . 4 1 1 A 17 17 GLU CB C 17 29.158 31.982 -2.824 1
1 115 . 4 1 1 A 17 17 GLU C C 17 177.504 177.885 -0.381 1
1 116 . 4 1 1 A 18 18 CYS N N 18 115.823 114.815 1.008 1
1 117 . 4 1 1 A 18 18 CYS H H 18 8.345 8.109 0.236 1
1 118 . 4 1 1 A 18 18 CYS CA C 18 58.442 59.578 -1.136 1
1 119 . 4 1 1 A 18 18 CYS HA H 18 5.196 4.734 0.462 1
1 120 . 4 1 1 A 18 18 CYS CB C 18 32.566 30.024 2.542 1
1 123 . 4 1 1 A 18 18 CYS C C 18 176.419 175.656 0.763 1
1 124 . 4 1 1 A 19 19 GLY N N 19 113.312 110.341 2.971 1
1 125 . 4 1 1 A 19 19 GLY H H 19 8.066 8.185 -0.119 1
1 126 . 4 1 1 A 19 19 GLY CA C 19 46.235 45.048 1.187 1
1 127 . 4 1 1 A 19 19 GLY HA2 H 19 3.778 4.058 -0.280 1
1 128 . 4 1 1 A 19 19 GLY HA3 H 19 4.257 4.077 0.180 1
1 129 . 4 1 1 A 19 19 GLY C C 19 173.644 174.464 -0.820 1
1 130 . 4 1 1 A 20 20 LYS N N 20 123.577 122.547 1.030 1
1 131 . 4 1 1 A 20 20 LYS H H 20 7.997 7.601 0.396 1
1 132 . 4 1 1 A 20 20 LYS CA C 20 58.469 56.089 2.380 1
1 133 . 4 1 1 A 20 20 LYS HA H 20 3.908 4.108 -0.200 1
1 134 . 4 1 1 A 20 20 LYS CB C 20 33.466 32.739 0.727 1
1 146 . 4 1 1 A 20 20 LYS C C 20 173.507 175.490 -1.983 1
1 147 . 4 1 1 A 21 21 ALA N N 21 124.329 128.379 -4.050 1
1 148 . 4 1 1 A 21 21 ALA H H 21 7.783 8.291 -0.508 1
1 149 . 4 1 1 A 21 21 ALA CA C 21 50.334 50.796 -0.462 1
1 150 . 4 1 1 A 21 21 ALA HA H 21 5.185 5.588 -0.403 1
1 151 . 4 1 1 A 21 21 ALA CB C 21 22.524 21.179 1.345 1
1 155 . 4 1 1 A 21 21 ALA C C 21 176.077 176.398 -0.321 1
1 156 . 4 1 1 A 22 22 PHE N N 22 116.711 117.852 -1.141 1
1 157 . 4 1 1 A 22 22 PHE H H 22 8.847 8.888 -0.041 1
1 158 . 4 1 1 A 22 22 PHE CA C 22 57.330 56.785 0.545 1
1 159 . 4 1 1 A 22 22 PHE HA H 22 4.775 4.955 -0.180 1
1 160 . 4 1 1 A 22 22 PHE CB C 22 43.939 44.131 -0.192 1
1 173 . 4 1 1 A 22 22 PHE C C 22 175.213 175.798 -0.585 1
1 174 . 4 1 1 A 23 23 ARG N N 23 120.534 120.284 0.250 1
1 175 . 4 1 1 A 23 23 ARG H H 23 9.558 9.140 0.418 1
1 176 . 4 1 1 A 23 23 ARG CA C 23 58.450 56.943 1.507 1
1 177 . 4 1 1 A 23 23 ARG HA H 23 4.579 4.458 0.121 1
1 178 . 4 1 1 A 23 23 ARG CB C 23 31.693 32.067 -0.374 1
1 187 . 4 1 1 A 23 23 ARG C C 23 176.152 176.121 0.031 1
1 188 . 4 1 1 A 24 24 GLN N N 24 112.058 117.541 -5.483 1
1 189 . 4 1 1 A 24 24 GLN H H 24 7.643 7.671 -0.028 1
1 190 . 4 1 1 A 24 24 GLN CA C 24 53.900 54.447 -0.547 1
1 191 . 4 1 1 A 24 24 GLN HA H 24 4.749 4.965 -0.216 1
1 192 . 4 1 1 A 24 24 GLN CB C 24 32.181 31.737 0.444 1
1 201 . 4 1 1 A 24 24 GLN C C 24 176.122 176.229 -0.107 1
1 202 . 4 1 1 A 25 25 ASN CA C 25 56.267 55.736 0.531 1
1 203 . 4 1 1 A 25 25 ASN HA H 25 3.435 3.947 -0.512 1
1 204 . 4 1 1 A 25 25 ASN CB C 25 37.777 37.106 0.671 1
1 210 . 4 1 1 A 25 25 ASN C C 25 177.746 177.553 0.193 1
1 211 . 4 1 1 A 26 26 ILE N N 26 115.551 122.262 -6.711 1
1 212 . 4 1 1 A 26 26 ILE H H 26 8.132 7.952 0.180 1
1 213 . 4 1 1 A 26 26 ILE CA C 26 63.728 63.628 0.100 1
1 214 . 4 1 1 A 26 26 ILE HA H 26 3.895 3.834 0.061 1
1 215 . 4 1 1 A 26 26 ILE CB C 26 37.791 37.913 -0.122 1
1 228 . 4 1 1 A 26 26 ILE C C 26 177.174 177.586 -0.412 1
1 229 . 4 1 1 A 27 27 HIS N N 27 120.664 121.116 -0.452 1
1 230 . 4 1 1 A 27 27 HIS H H 27 6.592 7.770 -1.178 1
1 231 . 4 1 1 A 27 27 HIS CA C 27 56.928 59.941 -3.013 1
1 232 . 4 1 1 A 27 27 HIS HA H 27 4.515 4.354 0.161 1
1 233 . 4 1 1 A 27 27 HIS CB C 27 31.690 29.810 1.880 1
1 240 . 4 1 1 A 27 27 HIS C C 27 178.354 177.331 1.023 1
1 241 . 4 1 1 A 28 28 LEU N N 28 122.071 120.173 1.898 1
1 242 . 4 1 1 A 28 28 LEU H H 28 6.883 7.690 -0.807 1
1 243 . 4 1 1 A 28 28 LEU CA C 28 57.620 57.264 0.356 1
1 244 . 4 1 1 A 28 28 LEU HA H 28 3.326 1.854 1.472 1
1 245 . 4 1 1 A 28 28 LEU CB C 28 40.160 41.210 -1.050 1
1 258 . 4 1 1 A 28 28 LEU C C 28 177.151 177.853 -0.702 1
1 259 . 4 1 1 A 29 29 ALA N N 29 120.705 120.767 -0.062 1
1 260 . 4 1 1 A 29 29 ALA H H 29 8.279 7.907 0.372 1
1 261 . 4 1 1 A 29 29 ALA CA C 29 55.529 54.945 0.584 1
1 262 . 4 1 1 A 29 29 ALA HA H 29 3.938 3.965 -0.027 1
1 263 . 4 1 1 A 29 29 ALA CB C 29 17.758 17.779 -0.021 1
1 267 . 4 1 1 A 29 29 ALA C C 29 180.633 179.832 0.801 1
1 268 . 4 1 1 A 30 30 SER N N 30 111.186 113.817 -2.631 1
1 269 . 4 1 1 A 30 30 SER H H 30 7.532 7.622 -0.090 1
1 270 . 4 1 1 A 30 30 SER CA C 30 61.154 60.810 0.344 1
1 271 . 4 1 1 A 30 30 SER HA H 30 4.145 4.186 -0.041 1
1 272 . 4 1 1 A 30 30 SER CB C 30 62.792 63.055 -0.263 1
1 275 . 4 1 1 A 30 30 SER C C 30 176.819 176.669 0.150 1
1 276 . 4 1 1 A 31 31 HIS N N 31 122.310 121.079 1.231 1
1 277 . 4 1 1 A 31 31 HIS H H 31 7.533 7.791 -0.258 1
1 278 . 4 1 1 A 31 31 HIS CA C 31 59.375 59.777 -0.402 1
1 279 . 4 1 1 A 31 31 HIS HA H 31 4.196 4.371 -0.175 1
1 280 . 4 1 1 A 31 31 HIS CB C 31 28.704 30.117 -1.413 1
1 287 . 4 1 1 A 31 31 HIS C C 31 176.094 177.177 -1.083 1
1 288 . 4 1 1 A 32 32 LEU N N 32 116.904 118.811 -1.907 1
1 289 . 4 1 1 A 32 32 LEU H H 32 8.410 8.447 -0.037 1
1 290 . 4 1 1 A 32 32 LEU CA C 32 58.179 57.468 0.711 1
1 291 . 4 1 1 A 32 32 LEU HA H 32 3.831 3.820 0.011 1
1 292 . 4 1 1 A 32 32 LEU CB C 32 42.008 41.463 0.545 1
1 305 . 4 1 1 A 32 32 LEU C C 32 178.884 179.387 -0.503 1
1 306 . 4 1 1 A 33 33 ARG N N 33 116.036 119.267 -3.231 1
1 307 . 4 1 1 A 33 33 ARG H H 33 7.068 8.416 -1.348 1
1 308 . 4 1 1 A 33 33 ARG CA C 33 58.384 59.670 -1.286 1
1 309 . 4 1 1 A 33 33 ARG HA H 33 4.131 4.019 0.112 1
1 310 . 4 1 1 A 33 33 ARG CB C 33 29.968 29.948 0.020 1
1 319 . 4 1 1 A 33 33 ARG C C 33 178.701 178.941 -0.240 1
1 320 . 4 1 1 A 34 34 ILE N N 34 116.874 117.134 -0.260 1
1 321 . 4 1 1 A 34 34 ILE H H 34 7.908 7.648 0.260 1
1 322 . 4 1 1 A 34 34 ILE CA C 34 63.093 63.787 -0.694 1
1 323 . 4 1 1 A 34 34 ILE HA H 34 3.976 3.761 0.215 1
1 324 . 4 1 1 A 34 34 ILE CB C 34 37.654 37.271 0.383 1
1 337 . 4 1 1 A 34 34 ILE C C 34 177.579 177.599 -0.020 1
1 338 . 4 1 1 A 35 35 HIS N N 35 117.636 119.953 -2.317 1
1 339 . 4 1 1 A 35 35 HIS H H 35 7.228 7.593 -0.365 1
1 340 . 4 1 1 A 35 35 HIS CA C 35 55.502 59.484 -3.982 1
1 341 . 4 1 1 A 35 35 HIS HA H 35 4.849 4.372 0.477 1
1 342 . 4 1 1 A 35 35 HIS CB C 35 28.632 31.196 -2.564 1
1 349 . 4 1 1 A 35 35 HIS C C 35 175.806 176.250 -0.444 1
1 350 . 4 1 1 A 36 36 THR N N 36 111.751 111.435 0.316 1
1 351 . 4 1 1 A 36 36 THR H H 36 7.810 7.579 0.231 1
1 352 . 4 1 1 A 36 36 THR CA C 36 62.645 61.018 1.627 1
1 353 . 4 1 1 A 36 36 THR HA H 36 4.344 4.456 -0.112 1
1 354 . 4 1 1 A 36 36 THR CB C 36 69.842 68.745 1.097 1
1 360 . 4 1 1 A 36 36 THR C C 36 175.493 173.532 1.961 1
1 361 . 4 1 1 A 37 37 GLY N N 37 110.648 111.227 -0.579 1
1 362 . 4 1 1 A 37 37 GLY H H 37 8.229 7.951 0.278 1
1 363 . 4 1 1 A 37 37 GLY CA C 37 45.270 44.702 0.568 1
1 364 . 4 1 1 A 37 37 GLY HA2 H 37 4.029 4.182 -0.153 1
1 365 . 4 1 1 A 37 37 GLY HA3 H 37 3.944 4.192 -0.248 1
1 366 . 4 1 1 A 37 37 GLY C C 37 174.050 173.182 0.868 1
1 367 . 4 1 1 A 38 38 GLU N N 38 120.571 125.343 -4.772 1
1 368 . 4 1 1 A 38 38 GLU H H 38 8.068 8.865 -0.797 1
1 369 . 4 1 1 A 38 38 GLU CA C 38 56.459 56.615 -0.156 1
1 370 . 4 1 1 A 38 38 GLU HA H 38 4.245 4.398 -0.153 1
1 371 . 4 1 1 A 38 38 GLU CB C 38 30.556 30.558 -0.002 1
1 377 . 4 1 1 A 38 38 GLU C C 38 176.194 176.031 0.163 1
1 378 . 4 1 1 A 39 39 LYS N N 39 123.762 122.707 1.055 1
1 379 . 4 1 1 A 39 39 LYS H H 39 8.404 8.263 0.141 1
1 380 . 4 1 1 A 39 39 LYS CA C 39 54.107 53.317 0.790 1
1 381 . 4 1 1 A 39 39 LYS HA H 39 4.607 4.815 -0.208 1
1 382 . 4 1 1 A 39 39 LYS CB C 39 32.501 33.907 -1.406 1
1 394 . 4 1 1 A 39 39 LYS C C 39 174.460 176.284 -1.824 1
1 395 . 4 1 1 A 40 40 PRO CA C 40 63.205 64.841 -1.636 1
1 396 . 4 1 1 A 40 40 PRO HA H 40 4.462 4.462 0.000 1
1 397 . 4 1 1 A 40 40 PRO CB C 40 32.180 32.186 -0.006 1
1 406 . 4 1 1 A 42 42 GLY CA C 42 44.664 43.684 0.980 1
1 407 . 4 1 1 A 42 42 GLY HA2 H 42 4.110 4.362 -0.252 1
1 408 . 4 1 1 A 42 42 GLY HA3 H 42 4.157 4.363 -0.206 1
1 409 . 4 1 1 A 43 43 PRO CA C 43 63.253 64.503 -1.250 1
1 410 . 4 1 1 A 43 43 PRO HA H 43 4.472 4.403 0.069 1
1 411 . 4 1 1 A 43 43 PRO CB C 43 32.202 32.214 -0.012 1
1 1 . 5 1 1 A 9 9 GLY CA C 9 45.191 44.826 0.365 1
1 2 . 5 1 1 A 9 9 GLY HA2 H 9 3.910 4.189 -0.279 1
1 3 . 5 1 1 A 9 9 GLY HA3 H 9 3.910 4.191 -0.281 1
1 4 . 5 1 1 A 9 9 GLY C C 9 174.087 174.795 -0.708 1
1 5 . 5 1 1 A 10 10 GLU N N 10 120.188 121.797 -1.609 1
1 6 . 5 1 1 A 10 10 GLU H H 10 8.196 9.004 -0.808 1
1 7 . 5 1 1 A 10 10 GLU CA C 10 56.995 59.380 -2.385 1
1 8 . 5 1 1 A 10 10 GLU HA H 10 4.167 3.996 0.171 1
1 9 . 5 1 1 A 10 10 GLU CB C 10 30.393 29.446 0.947 1
1 15 . 5 1 1 A 10 10 GLU C C 10 176.271 177.169 -0.898 1
1 16 . 5 1 1 A 11 11 LYS N N 11 120.905 116.822 4.083 1
1 17 . 5 1 1 A 11 11 LYS H H 11 8.243 8.178 0.065 1
1 18 . 5 1 1 A 11 11 LYS CA C 11 53.823 55.458 -1.635 1
1 19 . 5 1 1 A 11 11 LYS HA H 11 4.538 4.034 0.504 1
1 20 . 5 1 1 A 11 11 LYS CB C 11 33.303 32.527 0.776 1
1 32 . 5 1 1 A 11 11 LYS C C 11 173.935 176.642 -2.707 1
1 33 . 5 1 1 A 12 12 PRO CA C 12 63.584 64.369 -0.785 1
1 34 . 5 1 1 A 12 12 PRO HA H 12 4.263 4.469 -0.206 1
1 35 . 5 1 1 A 12 12 PRO CB C 12 32.345 31.590 0.755 1
1 44 . 5 1 1 A 12 12 PRO C C 12 176.502 176.307 0.195 1
1 45 . 5 1 1 A 13 13 PHE N N 13 118.504 118.337 0.167 1
1 46 . 5 1 1 A 13 13 PHE H H 13 7.832 7.248 0.584 1
1 47 . 5 1 1 A 13 13 PHE CA C 13 57.518 57.565 -0.047 1
1 48 . 5 1 1 A 13 13 PHE HA H 13 4.678 4.768 -0.090 1
1 49 . 5 1 1 A 13 13 PHE CB C 13 39.051 39.642 -0.591 1
1 62 . 5 1 1 A 13 13 PHE C C 13 174.345 174.825 -0.480 1
1 63 . 5 1 1 A 14 14 LYS N N 14 124.932 124.363 0.569 1
1 64 . 5 1 1 A 14 14 LYS H H 14 8.568 8.939 -0.371 1
1 65 . 5 1 1 A 14 14 LYS CA C 14 55.189 54.838 0.351 1
1 66 . 5 1 1 A 14 14 LYS HA H 14 4.997 5.433 -0.436 1
1 67 . 5 1 1 A 14 14 LYS CB C 14 35.460 36.149 -0.689 1
1 79 . 5 1 1 A 14 14 LYS C C 14 175.180 175.670 -0.490 1
1 80 . 5 1 1 A 15 15 CYS N N 15 127.244 125.376 1.868 1
1 81 . 5 1 1 A 15 15 CYS H H 15 9.264 9.654 -0.390 1
1 82 . 5 1 1 A 15 15 CYS CA C 15 59.641 60.330 -0.689 1
1 83 . 5 1 1 A 15 15 CYS HA H 15 4.567 4.636 -0.069 1
1 84 . 5 1 1 A 15 15 CYS CB C 15 29.799 28.916 0.883 1
1 87 . 5 1 1 A 15 15 CYS C C 15 177.766 175.801 1.965 1
1 88 . 5 1 1 A 16 16 LYS N N 16 132.596 128.018 4.578 1
1 89 . 5 1 1 A 16 16 LYS H H 16 9.452 8.925 0.527 1
1 90 . 5 1 1 A 16 16 LYS CA C 16 58.651 57.113 1.538 1
1 91 . 5 1 1 A 16 16 LYS HA H 16 4.142 4.465 -0.323 1
1 92 . 5 1 1 A 16 16 LYS CB C 16 32.384 31.986 0.398 1
1 104 . 5 1 1 A 16 16 LYS C C 16 176.701 176.847 -0.146 1
1 105 . 5 1 1 A 17 17 GLU N N 17 120.589 117.369 3.220 1
1 106 . 5 1 1 A 17 17 GLU H H 17 8.832 7.897 0.935 1
1 107 . 5 1 1 A 17 17 GLU CA C 17 57.941 57.225 0.716 1
1 108 . 5 1 1 A 17 17 GLU HA H 17 4.228 4.394 -0.166 1
1 109 . 5 1 1 A 17 17 GLU CB C 17 29.158 31.023 -1.865 1
1 115 . 5 1 1 A 17 17 GLU C C 17 177.504 177.796 -0.292 1
1 116 . 5 1 1 A 18 18 CYS N N 18 115.823 115.138 0.685 1
1 117 . 5 1 1 A 18 18 CYS H H 18 8.345 8.129 0.216 1
1 118 . 5 1 1 A 18 18 CYS CA C 18 58.442 59.618 -1.176 1
1 119 . 5 1 1 A 18 18 CYS HA H 18 5.196 4.709 0.487 1
1 120 . 5 1 1 A 18 18 CYS CB C 18 32.566 30.081 2.485 1
1 123 . 5 1 1 A 18 18 CYS C C 18 176.419 175.550 0.869 1
1 124 . 5 1 1 A 19 19 GLY N N 19 113.312 110.089 3.223 1
1 125 . 5 1 1 A 19 19 GLY H H 19 8.066 8.077 -0.011 1
1 126 . 5 1 1 A 19 19 GLY CA C 19 46.235 45.108 1.127 1
1 127 . 5 1 1 A 19 19 GLY HA2 H 19 3.778 4.065 -0.287 1
1 128 . 5 1 1 A 19 19 GLY HA3 H 19 4.257 4.075 0.182 1
1 129 . 5 1 1 A 19 19 GLY C C 19 173.644 174.387 -0.743 1
1 130 . 5 1 1 A 20 20 LYS N N 20 123.577 122.119 1.458 1
1 131 . 5 1 1 A 20 20 LYS H H 20 7.997 7.517 0.480 1
1 132 . 5 1 1 A 20 20 LYS CA C 20 58.469 55.637 2.832 1
1 133 . 5 1 1 A 20 20 LYS HA H 20 3.908 4.284 -0.376 1
1 134 . 5 1 1 A 20 20 LYS CB C 20 33.466 33.657 -0.191 1
1 146 . 5 1 1 A 20 20 LYS C C 20 173.507 175.050 -1.543 1
1 147 . 5 1 1 A 21 21 ALA N N 21 124.329 124.532 -0.203 1
1 148 . 5 1 1 A 21 21 ALA H H 21 7.783 7.968 -0.185 1
1 149 . 5 1 1 A 21 21 ALA CA C 21 50.334 49.762 0.572 1
1 150 . 5 1 1 A 21 21 ALA HA H 21 5.185 5.594 -0.409 1
1 151 . 5 1 1 A 21 21 ALA CB C 21 22.524 23.414 -0.890 1
1 155 . 5 1 1 A 21 21 ALA C C 21 176.077 175.181 0.896 1
1 156 . 5 1 1 A 22 22 PHE N N 22 116.711 115.544 1.167 1
1 157 . 5 1 1 A 22 22 PHE H H 22 8.847 9.101 -0.254 1
1 158 . 5 1 1 A 22 22 PHE CA C 22 57.330 56.412 0.918 1
1 159 . 5 1 1 A 22 22 PHE HA H 22 4.775 5.023 -0.248 1
1 160 . 5 1 1 A 22 22 PHE CB C 22 43.939 43.143 0.796 1
1 173 . 5 1 1 A 22 22 PHE C C 22 175.213 175.698 -0.485 1
1 174 . 5 1 1 A 23 23 ARG N N 23 120.534 121.790 -1.256 1
1 175 . 5 1 1 A 23 23 ARG H H 23 9.558 8.846 0.712 1
1 176 . 5 1 1 A 23 23 ARG CA C 23 58.450 57.281 1.169 1
1 177 . 5 1 1 A 23 23 ARG HA H 23 4.579 4.209 0.370 1
1 178 . 5 1 1 A 23 23 ARG CB C 23 31.693 30.789 0.904 1
1 187 . 5 1 1 A 23 23 ARG C C 23 176.152 176.019 0.133 1
1 188 . 5 1 1 A 24 24 GLN N N 24 112.058 117.713 -5.655 1
1 189 . 5 1 1 A 24 24 GLN H H 24 7.643 7.761 -0.118 1
1 190 . 5 1 1 A 24 24 GLN CA C 24 53.900 54.673 -0.773 1
1 191 . 5 1 1 A 24 24 GLN HA H 24 4.749 5.048 -0.299 1
1 192 . 5 1 1 A 24 24 GLN CB C 24 32.181 31.393 0.788 1
1 201 . 5 1 1 A 24 24 GLN C C 24 176.122 176.545 -0.423 1
1 202 . 5 1 1 A 25 25 ASN CA C 25 56.267 56.069 0.198 1
1 203 . 5 1 1 A 25 25 ASN HA H 25 3.435 3.897 -0.462 1
1 204 . 5 1 1 A 25 25 ASN CB C 25 37.777 37.965 -0.188 1
1 210 . 5 1 1 A 25 25 ASN C C 25 177.746 177.478 0.268 1
1 211 . 5 1 1 A 26 26 ILE N N 26 115.551 119.657 -4.106 1
1 212 . 5 1 1 A 26 26 ILE H H 26 8.132 8.132 0.000 1
1 213 . 5 1 1 A 26 26 ILE CA C 26 63.728 63.515 0.213 1
1 214 . 5 1 1 A 26 26 ILE HA H 26 3.895 3.833 0.062 1
1 215 . 5 1 1 A 26 26 ILE CB C 26 37.791 37.909 -0.118 1
1 228 . 5 1 1 A 26 26 ILE C C 26 177.174 177.569 -0.395 1
1 229 . 5 1 1 A 27 27 HIS N N 27 120.664 121.108 -0.444 1
1 230 . 5 1 1 A 27 27 HIS H H 27 6.592 7.993 -1.401 1
1 231 . 5 1 1 A 27 27 HIS CA C 27 56.928 59.564 -2.636 1
1 232 . 5 1 1 A 27 27 HIS HA H 27 4.515 4.382 0.133 1
1 233 . 5 1 1 A 27 27 HIS CB C 27 31.690 29.762 1.928 1
1 240 . 5 1 1 A 27 27 HIS C C 27 178.354 177.353 1.001 1
1 241 . 5 1 1 A 28 28 LEU N N 28 122.071 120.192 1.879 1
1 242 . 5 1 1 A 28 28 LEU H H 28 6.883 7.733 -0.850 1
1 243 . 5 1 1 A 28 28 LEU CA C 28 57.620 57.342 0.278 1
1 244 . 5 1 1 A 28 28 LEU HA H 28 3.326 2.072 1.254 1
1 245 . 5 1 1 A 28 28 LEU CB C 28 40.160 41.256 -1.096 1
1 258 . 5 1 1 A 28 28 LEU C C 28 177.151 177.886 -0.735 1
1 259 . 5 1 1 A 29 29 ALA N N 29 120.705 120.377 0.328 1
1 260 . 5 1 1 A 29 29 ALA H H 29 8.279 7.949 0.330 1
1 261 . 5 1 1 A 29 29 ALA CA C 29 55.529 55.117 0.412 1
1 262 . 5 1 1 A 29 29 ALA HA H 29 3.938 3.941 -0.003 1
1 263 . 5 1 1 A 29 29 ALA CB C 29 17.758 17.944 -0.186 1
1 267 . 5 1 1 A 29 29 ALA C C 29 180.633 179.791 0.842 1
1 268 . 5 1 1 A 30 30 SER N N 30 111.186 113.809 -2.623 1
1 269 . 5 1 1 A 30 30 SER H H 30 7.532 7.624 -0.092 1
1 270 . 5 1 1 A 30 30 SER CA C 30 61.154 60.705 0.449 1
1 271 . 5 1 1 A 30 30 SER HA H 30 4.145 4.206 -0.061 1
1 272 . 5 1 1 A 30 30 SER CB C 30 62.792 62.941 -0.149 1
1 275 . 5 1 1 A 30 30 SER C C 30 176.819 176.604 0.215 1
1 276 . 5 1 1 A 31 31 HIS N N 31 122.310 121.175 1.135 1
1 277 . 5 1 1 A 31 31 HIS H H 31 7.533 7.955 -0.422 1
1 278 . 5 1 1 A 31 31 HIS CA C 31 59.375 59.283 0.092 1
1 279 . 5 1 1 A 31 31 HIS HA H 31 4.196 4.255 -0.059 1
1 280 . 5 1 1 A 31 31 HIS CB C 31 28.704 30.276 -1.572 1
1 287 . 5 1 1 A 31 31 HIS C C 31 176.094 177.190 -1.096 1
1 288 . 5 1 1 A 32 32 LEU N N 32 116.904 119.718 -2.814 1
1 289 . 5 1 1 A 32 32 LEU H H 32 8.410 8.597 -0.187 1
1 290 . 5 1 1 A 32 32 LEU CA C 32 58.179 58.131 0.048 1
1 291 . 5 1 1 A 32 32 LEU HA H 32 3.831 3.890 -0.059 1
1 292 . 5 1 1 A 32 32 LEU CB C 32 42.008 41.639 0.369 1
1 305 . 5 1 1 A 32 32 LEU C C 32 178.884 179.235 -0.351 1
1 306 . 5 1 1 A 33 33 ARG N N 33 116.036 118.813 -2.777 1
1 307 . 5 1 1 A 33 33 ARG H H 33 7.068 8.318 -1.250 1
1 308 . 5 1 1 A 33 33 ARG CA C 33 58.384 59.625 -1.241 1
1 309 . 5 1 1 A 33 33 ARG HA H 33 4.131 3.983 0.148 1
1 310 . 5 1 1 A 33 33 ARG CB C 33 29.968 29.949 0.019 1
1 319 . 5 1 1 A 33 33 ARG C C 33 178.701 178.911 -0.210 1
1 320 . 5 1 1 A 34 34 ILE N N 34 116.874 118.017 -1.143 1
1 321 . 5 1 1 A 34 34 ILE H H 34 7.908 8.138 -0.230 1
1 322 . 5 1 1 A 34 34 ILE CA C 34 63.093 64.264 -1.171 1
1 323 . 5 1 1 A 34 34 ILE HA H 34 3.976 3.738 0.238 1
1 324 . 5 1 1 A 34 34 ILE CB C 34 37.654 37.306 0.348 1
1 337 . 5 1 1 A 34 34 ILE C C 34 177.579 177.430 0.149 1
1 338 . 5 1 1 A 35 35 HIS N N 35 117.636 119.961 -2.325 1
1 339 . 5 1 1 A 35 35 HIS H H 35 7.228 7.659 -0.431 1
1 340 . 5 1 1 A 35 35 HIS CA C 35 55.502 59.333 -3.831 1
1 341 . 5 1 1 A 35 35 HIS HA H 35 4.849 4.441 0.408 1
1 342 . 5 1 1 A 35 35 HIS CB C 35 28.632 31.322 -2.690 1
1 349 . 5 1 1 A 35 35 HIS C C 35 175.806 175.780 0.026 1
1 350 . 5 1 1 A 36 36 THR N N 36 111.751 111.774 -0.023 1
1 351 . 5 1 1 A 36 36 THR H H 36 7.810 7.898 -0.088 1
1 352 . 5 1 1 A 36 36 THR CA C 36 62.645 60.812 1.833 1
1 353 . 5 1 1 A 36 36 THR HA H 36 4.344 4.532 -0.188 1
1 354 . 5 1 1 A 36 36 THR CB C 36 69.842 69.446 0.396 1
1 360 . 5 1 1 A 36 36 THR C C 36 175.493 175.568 -0.075 1
1 361 . 5 1 1 A 37 37 GLY N N 37 110.648 112.624 -1.976 1
1 362 . 5 1 1 A 37 37 GLY H H 37 8.229 8.454 -0.225 1
1 363 . 5 1 1 A 37 37 GLY CA C 37 45.270 47.315 -2.045 1
1 364 . 5 1 1 A 37 37 GLY HA2 H 37 4.029 3.877 0.152 1
1 365 . 5 1 1 A 37 37 GLY HA3 H 37 3.944 3.877 0.067 1
1 366 . 5 1 1 A 37 37 GLY C C 37 174.050 175.356 -1.306 1
1 367 . 5 1 1 A 38 38 GLU N N 38 120.571 118.710 1.861 1
1 368 . 5 1 1 A 38 38 GLU H H 38 8.068 8.043 0.025 1
1 369 . 5 1 1 A 38 38 GLU CA C 38 56.459 56.493 -0.034 1
1 370 . 5 1 1 A 38 38 GLU HA H 38 4.245 4.354 -0.109 1
1 371 . 5 1 1 A 38 38 GLU CB C 38 30.556 30.605 -0.049 1
1 377 . 5 1 1 A 38 38 GLU C C 38 176.194 175.849 0.345 1
1 378 . 5 1 1 A 39 39 LYS N N 39 123.762 119.129 4.633 1
1 379 . 5 1 1 A 39 39 LYS H H 39 8.404 8.766 -0.362 1
1 380 . 5 1 1 A 39 39 LYS CA C 39 54.107 54.267 -0.160 1
1 381 . 5 1 1 A 39 39 LYS HA H 39 4.607 4.882 -0.275 1
1 382 . 5 1 1 A 39 39 LYS CB C 39 32.501 35.776 -3.275 1
1 394 . 5 1 1 A 39 39 LYS C C 39 174.460 176.051 -1.591 1
1 395 . 5 1 1 A 40 40 PRO CA C 40 63.205 64.485 -1.280 1
1 396 . 5 1 1 A 40 40 PRO HA H 40 4.462 4.389 0.073 1
1 397 . 5 1 1 A 40 40 PRO CB C 40 32.180 31.980 0.200 1
1 406 . 5 1 1 A 42 42 GLY CA C 42 44.664 44.131 0.533 1
1 407 . 5 1 1 A 42 42 GLY HA2 H 42 4.110 4.145 -0.035 1
1 408 . 5 1 1 A 42 42 GLY HA3 H 42 4.157 4.146 0.011 1
1 409 . 5 1 1 A 43 43 PRO CA C 43 63.253 62.713 0.540 1
1 410 . 5 1 1 A 43 43 PRO HA H 43 4.472 4.801 -0.329 1
1 411 . 5 1 1 A 43 43 PRO CB C 43 32.202 32.644 -0.442 1
1 1 . 6 1 1 A 9 9 GLY CA C 9 45.191 45.594 -0.403 1
1 2 . 6 1 1 A 9 9 GLY HA2 H 9 3.910 4.098 -0.188 1
1 3 . 6 1 1 A 9 9 GLY HA3 H 9 3.910 4.107 -0.197 1
1 4 . 6 1 1 A 9 9 GLY C C 9 174.087 173.661 0.426 1
1 5 . 6 1 1 A 10 10 GLU N N 10 120.188 121.506 -1.318 1
1 6 . 6 1 1 A 10 10 GLU H H 10 8.196 8.223 -0.027 1
1 7 . 6 1 1 A 10 10 GLU CA C 10 56.995 55.052 1.943 1
1 8 . 6 1 1 A 10 10 GLU HA H 10 4.167 4.587 -0.420 1
1 9 . 6 1 1 A 10 10 GLU CB C 10 30.393 30.172 0.221 1
1 15 . 6 1 1 A 10 10 GLU C C 10 176.271 175.061 1.210 1
1 16 . 6 1 1 A 11 11 LYS N N 11 120.905 122.950 -2.045 1
1 17 . 6 1 1 A 11 11 LYS H H 11 8.243 7.245 0.998 1
1 18 . 6 1 1 A 11 11 LYS CA C 11 53.823 53.342 0.481 1
1 19 . 6 1 1 A 11 11 LYS HA H 11 4.538 4.602 -0.064 1
1 20 . 6 1 1 A 11 11 LYS CB C 11 33.303 32.637 0.666 1
1 32 . 6 1 1 A 11 11 LYS C C 11 173.935 176.341 -2.406 1
1 33 . 6 1 1 A 12 12 PRO CA C 12 63.584 64.575 -0.991 1
1 34 . 6 1 1 A 12 12 PRO HA H 12 4.263 4.321 -0.058 1
1 35 . 6 1 1 A 12 12 PRO CB C 12 32.345 31.836 0.509 1
1 44 . 6 1 1 A 12 12 PRO C C 12 176.502 176.140 0.362 1
1 45 . 6 1 1 A 13 13 PHE N N 13 118.504 118.363 0.141 1
1 46 . 6 1 1 A 13 13 PHE H H 13 7.832 7.339 0.493 1
1 47 . 6 1 1 A 13 13 PHE CA C 13 57.518 56.937 0.581 1
1 48 . 6 1 1 A 13 13 PHE HA H 13 4.678 5.153 -0.475 1
1 49 . 6 1 1 A 13 13 PHE CB C 13 39.051 41.217 -2.166 1
1 62 . 6 1 1 A 13 13 PHE C C 13 174.345 174.379 -0.034 1
1 63 . 6 1 1 A 14 14 LYS N N 14 124.932 123.289 1.643 1
1 64 . 6 1 1 A 14 14 LYS H H 14 8.568 9.090 -0.522 1
1 65 . 6 1 1 A 14 14 LYS CA C 14 55.189 54.464 0.725 1
1 66 . 6 1 1 A 14 14 LYS HA H 14 4.997 5.325 -0.328 1
1 67 . 6 1 1 A 14 14 LYS CB C 14 35.460 36.357 -0.897 1
1 79 . 6 1 1 A 14 14 LYS C C 14 175.180 175.275 -0.095 1
1 80 . 6 1 1 A 15 15 CYS N N 15 127.244 124.390 2.854 1
1 81 . 6 1 1 A 15 15 CYS H H 15 9.264 9.374 -0.110 1
1 82 . 6 1 1 A 15 15 CYS CA C 15 59.641 59.624 0.017 1
1 83 . 6 1 1 A 15 15 CYS HA H 15 4.567 4.686 -0.119 1
1 84 . 6 1 1 A 15 15 CYS CB C 15 29.799 28.311 1.488 1
1 87 . 6 1 1 A 15 15 CYS C C 15 177.766 176.106 1.660 1
1 88 . 6 1 1 A 16 16 LYS N N 16 132.596 128.211 4.385 1
1 89 . 6 1 1 A 16 16 LYS H H 16 9.452 9.088 0.364 1
1 90 . 6 1 1 A 16 16 LYS CA C 16 58.651 56.181 2.470 1
1 91 . 6 1 1 A 16 16 LYS HA H 16 4.142 4.472 -0.330 1
1 92 . 6 1 1 A 16 16 LYS CB C 16 32.384 32.928 -0.544 1
1 104 . 6 1 1 A 16 16 LYS C C 16 176.701 177.662 -0.961 1
1 105 . 6 1 1 A 17 17 GLU N N 17 120.589 119.944 0.645 1
1 106 . 6 1 1 A 17 17 GLU H H 17 8.832 7.711 1.121 1
1 107 . 6 1 1 A 17 17 GLU CA C 17 57.941 57.042 0.899 1
1 108 . 6 1 1 A 17 17 GLU HA H 17 4.228 4.402 -0.174 1
1 109 . 6 1 1 A 17 17 GLU CB C 17 29.158 31.132 -1.974 1
1 115 . 6 1 1 A 17 17 GLU C C 17 177.504 177.874 -0.370 1
1 116 . 6 1 1 A 18 18 CYS N N 18 115.823 114.624 1.199 1
1 117 . 6 1 1 A 18 18 CYS H H 18 8.345 8.009 0.336 1
1 118 . 6 1 1 A 18 18 CYS CA C 18 58.442 59.708 -1.266 1
1 119 . 6 1 1 A 18 18 CYS HA H 18 5.196 4.749 0.447 1
1 120 . 6 1 1 A 18 18 CYS CB C 18 32.566 29.928 2.638 1
1 123 . 6 1 1 A 18 18 CYS C C 18 176.419 175.608 0.811 1
1 124 . 6 1 1 A 19 19 GLY N N 19 113.312 109.742 3.570 1
1 125 . 6 1 1 A 19 19 GLY H H 19 8.066 7.952 0.114 1
1 126 . 6 1 1 A 19 19 GLY CA C 19 46.235 44.862 1.373 1
1 127 . 6 1 1 A 19 19 GLY HA2 H 19 3.778 4.069 -0.291 1
1 128 . 6 1 1 A 19 19 GLY HA3 H 19 4.257 4.080 0.177 1
1 129 . 6 1 1 A 19 19 GLY C C 19 173.644 174.447 -0.803 1
1 130 . 6 1 1 A 20 20 LYS N N 20 123.577 122.470 1.107 1
1 131 . 6 1 1 A 20 20 LYS H H 20 7.997 7.508 0.489 1
1 132 . 6 1 1 A 20 20 LYS CA C 20 58.469 56.020 2.449 1
1 133 . 6 1 1 A 20 20 LYS HA H 20 3.908 4.049 -0.141 1
1 134 . 6 1 1 A 20 20 LYS CB C 20 33.466 32.764 0.702 1
1 146 . 6 1 1 A 20 20 LYS C C 20 173.507 175.689 -2.182 1
1 147 . 6 1 1 A 21 21 ALA N N 21 124.329 128.258 -3.929 1
1 148 . 6 1 1 A 21 21 ALA H H 21 7.783 8.263 -0.480 1
1 149 . 6 1 1 A 21 21 ALA CA C 21 50.334 50.707 -0.373 1
1 150 . 6 1 1 A 21 21 ALA HA H 21 5.185 5.114 0.071 1
1 151 . 6 1 1 A 21 21 ALA CB C 21 22.524 20.936 1.588 1
1 155 . 6 1 1 A 21 21 ALA C C 21 176.077 176.345 -0.268 1
1 156 . 6 1 1 A 22 22 PHE N N 22 116.711 117.299 -0.588 1
1 157 . 6 1 1 A 22 22 PHE H H 22 8.847 9.072 -0.225 1
1 158 . 6 1 1 A 22 22 PHE CA C 22 57.330 56.339 0.991 1
1 159 . 6 1 1 A 22 22 PHE HA H 22 4.775 4.947 -0.172 1
1 160 . 6 1 1 A 22 22 PHE CB C 22 43.939 43.549 0.390 1
1 173 . 6 1 1 A 22 22 PHE C C 22 175.213 175.869 -0.656 1
1 174 . 6 1 1 A 23 23 ARG N N 23 120.534 121.447 -0.913 1
1 175 . 6 1 1 A 23 23 ARG H H 23 9.558 8.955 0.603 1
1 176 . 6 1 1 A 23 23 ARG CA C 23 58.450 57.148 1.302 1
1 177 . 6 1 1 A 23 23 ARG HA H 23 4.579 4.498 0.081 1
1 178 . 6 1 1 A 23 23 ARG CB C 23 31.693 31.155 0.538 1
1 187 . 6 1 1 A 23 23 ARG C C 23 176.152 176.326 -0.174 1
1 188 . 6 1 1 A 24 24 GLN N N 24 112.058 117.327 -5.269 1
1 189 . 6 1 1 A 24 24 GLN H H 24 7.643 7.760 -0.117 1
1 190 . 6 1 1 A 24 24 GLN CA C 24 53.900 54.403 -0.503 1
1 191 . 6 1 1 A 24 24 GLN HA H 24 4.749 4.710 0.039 1
1 192 . 6 1 1 A 24 24 GLN CB C 24 32.181 31.393 0.788 1
1 201 . 6 1 1 A 24 24 GLN C C 24 176.122 175.484 0.638 1
1 202 . 6 1 1 A 25 25 ASN CA C 25 56.267 56.044 0.223 1
1 203 . 6 1 1 A 25 25 ASN HA H 25 3.435 2.685 0.750 1
1 204 . 6 1 1 A 25 25 ASN CB C 25 37.777 37.949 -0.172 1
1 210 . 6 1 1 A 25 25 ASN C C 25 177.746 176.323 1.423 1
1 211 . 6 1 1 A 26 26 ILE N N 26 115.551 119.793 -4.242 1
1 212 . 6 1 1 A 26 26 ILE H H 26 8.132 7.877 0.255 1
1 213 . 6 1 1 A 26 26 ILE CA C 26 63.728 64.082 -0.354 1
1 214 . 6 1 1 A 26 26 ILE HA H 26 3.895 3.777 0.118 1
1 215 . 6 1 1 A 26 26 ILE CB C 26 37.791 37.605 0.186 1
1 228 . 6 1 1 A 26 26 ILE C C 26 177.174 177.585 -0.411 1
1 229 . 6 1 1 A 27 27 HIS N N 27 120.664 120.988 -0.324 1
1 230 . 6 1 1 A 27 27 HIS H H 27 6.592 8.026 -1.434 1
1 231 . 6 1 1 A 27 27 HIS CA C 27 56.928 59.659 -2.731 1
1 232 . 6 1 1 A 27 27 HIS HA H 27 4.515 4.176 0.339 1
1 233 . 6 1 1 A 27 27 HIS CB C 27 31.690 30.129 1.561 1
1 240 . 6 1 1 A 27 27 HIS C C 27 178.354 177.436 0.918 1
1 241 . 6 1 1 A 28 28 LEU N N 28 122.071 120.372 1.699 1
1 242 . 6 1 1 A 28 28 LEU H H 28 6.883 7.400 -0.517 1
1 243 . 6 1 1 A 28 28 LEU CA C 28 57.620 57.016 0.604 1
1 244 . 6 1 1 A 28 28 LEU HA H 28 3.326 1.904 1.422 1
1 245 . 6 1 1 A 28 28 LEU CB C 28 40.160 41.137 -0.977 1
1 258 . 6 1 1 A 28 28 LEU C C 28 177.151 177.840 -0.689 1
1 259 . 6 1 1 A 29 29 ALA N N 29 120.705 120.878 -0.173 1
1 260 . 6 1 1 A 29 29 ALA H H 29 8.279 8.140 0.139 1
1 261 . 6 1 1 A 29 29 ALA CA C 29 55.529 55.206 0.323 1
1 262 . 6 1 1 A 29 29 ALA HA H 29 3.938 3.976 -0.038 1
1 263 . 6 1 1 A 29 29 ALA CB C 29 17.758 18.050 -0.292 1
1 267 . 6 1 1 A 29 29 ALA C C 29 180.633 180.109 0.524 1
1 268 . 6 1 1 A 30 30 SER N N 30 111.186 113.963 -2.777 1
1 269 . 6 1 1 A 30 30 SER H H 30 7.532 8.216 -0.684 1
1 270 . 6 1 1 A 30 30 SER CA C 30 61.154 61.156 -0.002 1
1 271 . 6 1 1 A 30 30 SER HA H 30 4.145 4.077 0.068 1
1 272 . 6 1 1 A 30 30 SER CB C 30 62.792 63.134 -0.342 1
1 275 . 6 1 1 A 30 30 SER C C 30 176.819 176.422 0.397 1
1 276 . 6 1 1 A 31 31 HIS N N 31 122.310 121.913 0.397 1
1 277 . 6 1 1 A 31 31 HIS H H 31 7.533 7.650 -0.117 1
1 278 . 6 1 1 A 31 31 HIS CA C 31 59.375 59.783 -0.408 1
1 279 . 6 1 1 A 31 31 HIS HA H 31 4.196 4.369 -0.173 1
1 280 . 6 1 1 A 31 31 HIS CB C 31 28.704 30.154 -1.450 1
1 287 . 6 1 1 A 31 31 HIS C C 31 176.094 177.186 -1.092 1
1 288 . 6 1 1 A 32 32 LEU N N 32 116.904 119.074 -2.170 1
1 289 . 6 1 1 A 32 32 LEU H H 32 8.410 8.668 -0.258 1
1 290 . 6 1 1 A 32 32 LEU CA C 32 58.179 57.689 0.490 1
1 291 . 6 1 1 A 32 32 LEU HA H 32 3.831 3.960 -0.129 1
1 292 . 6 1 1 A 32 32 LEU CB C 32 42.008 41.581 0.427 1
1 305 . 6 1 1 A 32 32 LEU C C 32 178.884 179.393 -0.509 1
1 306 . 6 1 1 A 33 33 ARG N N 33 116.036 119.168 -3.132 1
1 307 . 6 1 1 A 33 33 ARG H H 33 7.068 8.376 -1.308 1
1 308 . 6 1 1 A 33 33 ARG CA C 33 58.384 59.546 -1.162 1
1 309 . 6 1 1 A 33 33 ARG HA H 33 4.131 3.975 0.156 1
1 310 . 6 1 1 A 33 33 ARG CB C 33 29.968 29.939 0.029 1
1 319 . 6 1 1 A 33 33 ARG C C 33 178.701 178.776 -0.075 1
1 320 . 6 1 1 A 34 34 ILE N N 34 116.874 116.865 0.009 1
1 321 . 6 1 1 A 34 34 ILE H H 34 7.908 7.675 0.233 1
1 322 . 6 1 1 A 34 34 ILE CA C 34 63.093 63.458 -0.365 1
1 323 . 6 1 1 A 34 34 ILE HA H 34 3.976 3.740 0.236 1
1 324 . 6 1 1 A 34 34 ILE CB C 34 37.654 37.346 0.308 1
1 337 . 6 1 1 A 34 34 ILE C C 34 177.579 176.845 0.734 1
1 338 . 6 1 1 A 35 35 HIS N N 35 117.636 119.568 -1.932 1
1 339 . 6 1 1 A 35 35 HIS H H 35 7.228 7.788 -0.560 1
1 340 . 6 1 1 A 35 35 HIS CA C 35 55.502 57.414 -1.912 1
1 341 . 6 1 1 A 35 35 HIS HA H 35 4.849 4.556 0.293 1
1 342 . 6 1 1 A 35 35 HIS CB C 35 28.632 31.743 -3.111 1
1 349 . 6 1 1 A 35 35 HIS C C 35 175.806 175.453 0.353 1
1 350 . 6 1 1 A 36 36 THR N N 36 111.751 112.246 -0.495 1
1 351 . 6 1 1 A 36 36 THR H H 36 7.810 7.982 -0.172 1
1 352 . 6 1 1 A 36 36 THR CA C 36 62.645 60.814 1.831 1
1 353 . 6 1 1 A 36 36 THR HA H 36 4.344 4.561 -0.217 1
1 354 . 6 1 1 A 36 36 THR CB C 36 69.842 69.179 0.663 1
1 360 . 6 1 1 A 36 36 THR C C 36 175.493 174.667 0.826 1
1 361 . 6 1 1 A 37 37 GLY N N 37 110.648 113.453 -2.805 1
1 362 . 6 1 1 A 37 37 GLY H H 37 8.229 8.344 -0.115 1
1 363 . 6 1 1 A 37 37 GLY CA C 37 45.270 45.619 -0.349 1
1 364 . 6 1 1 A 37 37 GLY HA2 H 37 4.029 4.078 -0.049 1
1 365 . 6 1 1 A 37 37 GLY HA3 H 37 3.944 4.088 -0.144 1
1 366 . 6 1 1 A 37 37 GLY C C 37 174.050 174.971 -0.921 1
1 367 . 6 1 1 A 38 38 GLU N N 38 120.571 119.486 1.085 1
1 368 . 6 1 1 A 38 38 GLU H H 38 8.068 7.957 0.111 1
1 369 . 6 1 1 A 38 38 GLU CA C 38 56.459 55.853 0.606 1
1 370 . 6 1 1 A 38 38 GLU HA H 38 4.245 4.438 -0.193 1
1 371 . 6 1 1 A 38 38 GLU CB C 38 30.556 28.134 2.422 1
1 377 . 6 1 1 A 38 38 GLU C C 38 176.194 174.804 1.390 1
1 378 . 6 1 1 A 39 39 LYS N N 39 123.762 118.728 5.034 1
1 379 . 6 1 1 A 39 39 LYS H H 39 8.404 7.916 0.488 1
1 380 . 6 1 1 A 39 39 LYS CA C 39 54.107 53.962 0.145 1
1 381 . 6 1 1 A 39 39 LYS HA H 39 4.607 4.893 -0.286 1
1 382 . 6 1 1 A 39 39 LYS CB C 39 32.501 33.979 -1.478 1
1 394 . 6 1 1 A 39 39 LYS C C 39 174.460 174.824 -0.364 1
1 395 . 6 1 1 A 40 40 PRO CA C 40 63.205 62.385 0.820 1
1 396 . 6 1 1 A 40 40 PRO HA H 40 4.462 4.704 -0.242 1
1 397 . 6 1 1 A 40 40 PRO CB C 40 32.180 30.137 2.043 1
1 406 . 6 1 1 A 42 42 GLY CA C 42 44.664 45.021 -0.357 1
1 407 . 6 1 1 A 42 42 GLY HA2 H 42 4.110 4.124 -0.014 1
1 408 . 6 1 1 A 42 42 GLY HA3 H 42 4.157 4.124 0.033 1
1 409 . 6 1 1 A 43 43 PRO CA C 43 63.253 62.565 0.688 1
1 410 . 6 1 1 A 43 43 PRO HA H 43 4.472 4.550 -0.078 1
1 411 . 6 1 1 A 43 43 PRO CB C 43 32.202 33.381 -1.179 1
1 1 . 7 1 1 A 9 9 GLY CA C 9 45.191 45.718 -0.527 1
1 2 . 7 1 1 A 9 9 GLY HA2 H 9 3.910 4.169 -0.259 1
1 3 . 7 1 1 A 9 9 GLY HA3 H 9 3.910 4.172 -0.262 1
1 4 . 7 1 1 A 9 9 GLY C C 9 174.087 173.688 0.399 1
1 5 . 7 1 1 A 10 10 GLU N N 10 120.188 121.870 -1.682 1
1 6 . 7 1 1 A 10 10 GLU H H 10 8.196 8.761 -0.565 1
1 7 . 7 1 1 A 10 10 GLU CA C 10 56.995 55.850 1.145 1
1 8 . 7 1 1 A 10 10 GLU HA H 10 4.167 4.467 -0.300 1
1 9 . 7 1 1 A 10 10 GLU CB C 10 30.393 28.925 1.468 1
1 15 . 7 1 1 A 10 10 GLU C C 10 176.271 175.661 0.610 1
1 16 . 7 1 1 A 11 11 LYS N N 11 120.905 120.322 0.583 1
1 17 . 7 1 1 A 11 11 LYS H H 11 8.243 7.394 0.849 1
1 18 . 7 1 1 A 11 11 LYS CA C 11 53.823 53.606 0.217 1
1 19 . 7 1 1 A 11 11 LYS HA H 11 4.538 5.249 -0.711 1
1 20 . 7 1 1 A 11 11 LYS CB C 11 33.303 33.072 0.231 1
1 32 . 7 1 1 A 11 11 LYS C C 11 173.935 175.189 -1.254 1
1 33 . 7 1 1 A 12 12 PRO CA C 12 63.584 64.587 -1.003 1
1 34 . 7 1 1 A 12 12 PRO HA H 12 4.263 4.468 -0.205 1
1 35 . 7 1 1 A 12 12 PRO CB C 12 32.345 31.734 0.611 1
1 44 . 7 1 1 A 12 12 PRO C C 12 176.502 176.163 0.339 1
1 45 . 7 1 1 A 13 13 PHE N N 13 118.504 118.558 -0.054 1
1 46 . 7 1 1 A 13 13 PHE H H 13 7.832 7.187 0.645 1
1 47 . 7 1 1 A 13 13 PHE CA C 13 57.518 57.251 0.267 1
1 48 . 7 1 1 A 13 13 PHE HA H 13 4.678 5.050 -0.372 1
1 49 . 7 1 1 A 13 13 PHE CB C 13 39.051 40.950 -1.899 1
1 62 . 7 1 1 A 13 13 PHE C C 13 174.345 174.409 -0.064 1
1 63 . 7 1 1 A 14 14 LYS N N 14 124.932 122.874 2.058 1
1 64 . 7 1 1 A 14 14 LYS H H 14 8.568 9.029 -0.461 1
1 65 . 7 1 1 A 14 14 LYS CA C 14 55.189 54.649 0.540 1
1 66 . 7 1 1 A 14 14 LYS HA H 14 4.997 5.639 -0.642 1
1 67 . 7 1 1 A 14 14 LYS CB C 14 35.460 36.409 -0.949 1
1 79 . 7 1 1 A 14 14 LYS C C 14 175.180 175.553 -0.373 1
1 80 . 7 1 1 A 15 15 CYS N N 15 127.244 124.826 2.418 1
1 81 . 7 1 1 A 15 15 CYS H H 15 9.264 9.528 -0.264 1
1 82 . 7 1 1 A 15 15 CYS CA C 15 59.641 59.833 -0.192 1
1 83 . 7 1 1 A 15 15 CYS HA H 15 4.567 4.695 -0.128 1
1 84 . 7 1 1 A 15 15 CYS CB C 15 29.799 28.523 1.276 1
1 87 . 7 1 1 A 15 15 CYS C C 15 177.766 176.309 1.457 1
1 88 . 7 1 1 A 16 16 LYS N N 16 132.596 128.516 4.080 1
1 89 . 7 1 1 A 16 16 LYS H H 16 9.452 8.997 0.455 1
1 90 . 7 1 1 A 16 16 LYS CA C 16 58.651 56.596 2.055 1
1 91 . 7 1 1 A 16 16 LYS HA H 16 4.142 4.442 -0.300 1
1 92 . 7 1 1 A 16 16 LYS CB C 16 32.384 32.643 -0.259 1
1 104 . 7 1 1 A 16 16 LYS C C 16 176.701 177.616 -0.915 1
1 105 . 7 1 1 A 17 17 GLU N N 17 120.589 119.637 0.952 1
1 106 . 7 1 1 A 17 17 GLU H H 17 8.832 7.786 1.046 1
1 107 . 7 1 1 A 17 17 GLU CA C 17 57.941 57.088 0.853 1
1 108 . 7 1 1 A 17 17 GLU HA H 17 4.228 4.419 -0.191 1
1 109 . 7 1 1 A 17 17 GLU CB C 17 29.158 31.185 -2.027 1
1 115 . 7 1 1 A 17 17 GLU C C 17 177.504 177.817 -0.313 1
1 116 . 7 1 1 A 18 18 CYS N N 18 115.823 114.601 1.222 1
1 117 . 7 1 1 A 18 18 CYS H H 18 8.345 8.076 0.269 1
1 118 . 7 1 1 A 18 18 CYS CA C 18 58.442 59.636 -1.194 1
1 119 . 7 1 1 A 18 18 CYS HA H 18 5.196 4.757 0.439 1
1 120 . 7 1 1 A 18 18 CYS CB C 18 32.566 30.085 2.481 1
1 123 . 7 1 1 A 18 18 CYS C C 18 176.419 175.559 0.860 1
1 124 . 7 1 1 A 19 19 GLY N N 19 113.312 110.102 3.210 1
1 125 . 7 1 1 A 19 19 GLY H H 19 8.066 8.072 -0.006 1
1 126 . 7 1 1 A 19 19 GLY CA C 19 46.235 45.056 1.179 1
1 127 . 7 1 1 A 19 19 GLY HA2 H 19 3.778 4.080 -0.302 1
1 128 . 7 1 1 A 19 19 GLY HA3 H 19 4.257 4.095 0.162 1
1 129 . 7 1 1 A 19 19 GLY C C 19 173.644 174.671 -1.027 1
1 130 . 7 1 1 A 20 20 LYS N N 20 123.577 122.370 1.207 1
1 131 . 7 1 1 A 20 20 LYS H H 20 7.997 7.534 0.463 1
1 132 . 7 1 1 A 20 20 LYS CA C 20 58.469 56.118 2.351 1
1 133 . 7 1 1 A 20 20 LYS HA H 20 3.908 4.162 -0.254 1
1 134 . 7 1 1 A 20 20 LYS CB C 20 33.466 33.462 0.004 1
1 146 . 7 1 1 A 20 20 LYS C C 20 173.507 175.093 -1.586 1
1 147 . 7 1 1 A 21 21 ALA N N 21 124.329 125.963 -1.634 1
1 148 . 7 1 1 A 21 21 ALA H H 21 7.783 7.978 -0.195 1
1 149 . 7 1 1 A 21 21 ALA CA C 21 50.334 49.886 0.448 1
1 150 . 7 1 1 A 21 21 ALA HA H 21 5.185 5.442 -0.257 1
1 151 . 7 1 1 A 21 21 ALA CB C 21 22.524 22.361 0.163 1
1 155 . 7 1 1 A 21 21 ALA C C 21 176.077 175.506 0.571 1
1 156 . 7 1 1 A 22 22 PHE N N 22 116.711 117.974 -1.263 1
1 157 . 7 1 1 A 22 22 PHE H H 22 8.847 9.138 -0.291 1
1 158 . 7 1 1 A 22 22 PHE CA C 22 57.330 57.039 0.291 1
1 159 . 7 1 1 A 22 22 PHE HA H 22 4.775 5.033 -0.258 1
1 160 . 7 1 1 A 22 22 PHE CB C 22 43.939 43.923 0.016 1
1 173 . 7 1 1 A 22 22 PHE C C 22 175.213 175.898 -0.685 1
1 174 . 7 1 1 A 23 23 ARG N N 23 120.534 120.402 0.132 1
1 175 . 7 1 1 A 23 23 ARG H H 23 9.558 9.328 0.230 1
1 176 . 7 1 1 A 23 23 ARG CA C 23 58.450 57.266 1.184 1
1 177 . 7 1 1 A 23 23 ARG HA H 23 4.579 4.704 -0.125 1
1 178 . 7 1 1 A 23 23 ARG CB C 23 31.693 32.124 -0.431 1
1 187 . 7 1 1 A 23 23 ARG C C 23 176.152 176.603 -0.451 1
1 188 . 7 1 1 A 24 24 GLN N N 24 112.058 117.314 -5.256 1
1 189 . 7 1 1 A 24 24 GLN H H 24 7.643 7.892 -0.249 1
1 190 . 7 1 1 A 24 24 GLN CA C 24 53.900 54.309 -0.409 1
1 191 . 7 1 1 A 24 24 GLN HA H 24 4.749 4.785 -0.036 1
1 192 . 7 1 1 A 24 24 GLN CB C 24 32.181 31.234 0.947 1
1 201 . 7 1 1 A 24 24 GLN C C 24 176.122 175.919 0.203 1
1 202 . 7 1 1 A 25 25 ASN CA C 25 56.267 55.226 1.041 1
1 203 . 7 1 1 A 25 25 ASN HA H 25 3.435 3.136 0.299 1
1 204 . 7 1 1 A 25 25 ASN CB C 25 37.777 36.808 0.969 1
1 210 . 7 1 1 A 25 25 ASN C C 25 177.746 177.216 0.530 1
1 211 . 7 1 1 A 26 26 ILE N N 26 115.551 121.403 -5.852 1
1 212 . 7 1 1 A 26 26 ILE H H 26 8.132 7.798 0.334 1
1 213 . 7 1 1 A 26 26 ILE CA C 26 63.728 63.879 -0.151 1
1 214 . 7 1 1 A 26 26 ILE HA H 26 3.895 3.713 0.182 1
1 215 . 7 1 1 A 26 26 ILE CB C 26 37.791 37.550 0.241 1
1 228 . 7 1 1 A 26 26 ILE C C 26 177.174 177.483 -0.309 1
1 229 . 7 1 1 A 27 27 HIS N N 27 120.664 120.777 -0.113 1
1 230 . 7 1 1 A 27 27 HIS H H 27 6.592 7.602 -1.010 1
1 231 . 7 1 1 A 27 27 HIS CA C 27 56.928 59.940 -3.012 1
1 232 . 7 1 1 A 27 27 HIS HA H 27 4.515 4.280 0.235 1
1 233 . 7 1 1 A 27 27 HIS CB C 27 31.690 29.789 1.901 1
1 240 . 7 1 1 A 27 27 HIS C C 27 178.354 177.470 0.884 1
1 241 . 7 1 1 A 28 28 LEU N N 28 122.071 120.399 1.672 1
1 242 . 7 1 1 A 28 28 LEU H H 28 6.883 7.331 -0.448 1
1 243 . 7 1 1 A 28 28 LEU CA C 28 57.620 57.467 0.153 1
1 244 . 7 1 1 A 28 28 LEU HA H 28 3.326 2.645 0.681 1
1 245 . 7 1 1 A 28 28 LEU CB C 28 40.160 41.177 -1.017 1
1 258 . 7 1 1 A 28 28 LEU C C 28 177.151 177.953 -0.802 1
1 259 . 7 1 1 A 29 29 ALA N N 29 120.705 120.816 -0.111 1
1 260 . 7 1 1 A 29 29 ALA H H 29 8.279 8.084 0.195 1
1 261 . 7 1 1 A 29 29 ALA CA C 29 55.529 54.891 0.638 1
1 262 . 7 1 1 A 29 29 ALA HA H 29 3.938 3.981 -0.043 1
1 263 . 7 1 1 A 29 29 ALA CB C 29 17.758 17.939 -0.181 1
1 267 . 7 1 1 A 29 29 ALA C C 29 180.633 179.344 1.289 1
1 268 . 7 1 1 A 30 30 SER N N 30 111.186 114.568 -3.382 1
1 269 . 7 1 1 A 30 30 SER H H 30 7.532 7.634 -0.102 1
1 270 . 7 1 1 A 30 30 SER CA C 30 61.154 60.852 0.302 1
1 271 . 7 1 1 A 30 30 SER HA H 30 4.145 4.356 -0.211 1
1 272 . 7 1 1 A 30 30 SER CB C 30 62.792 63.403 -0.611 1
1 275 . 7 1 1 A 30 30 SER C C 30 176.819 176.042 0.777 1
1 276 . 7 1 1 A 31 31 HIS N N 31 122.310 121.700 0.610 1
1 277 . 7 1 1 A 31 31 HIS H H 31 7.533 7.976 -0.443 1
1 278 . 7 1 1 A 31 31 HIS CA C 31 59.375 59.292 0.083 1
1 279 . 7 1 1 A 31 31 HIS HA H 31 4.196 4.359 -0.163 1
1 280 . 7 1 1 A 31 31 HIS CB C 31 28.704 30.265 -1.561 1
1 287 . 7 1 1 A 31 31 HIS C C 31 176.094 177.058 -0.964 1
1 288 . 7 1 1 A 32 32 LEU N N 32 116.904 119.314 -2.410 1
1 289 . 7 1 1 A 32 32 LEU H H 32 8.410 8.760 -0.350 1
1 290 . 7 1 1 A 32 32 LEU CA C 32 58.179 57.583 0.596 1
1 291 . 7 1 1 A 32 32 LEU HA H 32 3.831 3.899 -0.068 1
1 292 . 7 1 1 A 32 32 LEU CB C 32 42.008 41.613 0.395 1
1 305 . 7 1 1 A 32 32 LEU C C 32 178.884 179.497 -0.613 1
1 306 . 7 1 1 A 33 33 ARG N N 33 116.036 119.154 -3.118 1
1 307 . 7 1 1 A 33 33 ARG H H 33 7.068 8.391 -1.323 1
1 308 . 7 1 1 A 33 33 ARG CA C 33 58.384 59.505 -1.121 1
1 309 . 7 1 1 A 33 33 ARG HA H 33 4.131 4.022 0.109 1
1 310 . 7 1 1 A 33 33 ARG CB C 33 29.968 29.999 -0.031 1
1 319 . 7 1 1 A 33 33 ARG C C 33 178.701 179.115 -0.414 1
1 320 . 7 1 1 A 34 34 ILE N N 34 116.874 117.170 -0.296 1
1 321 . 7 1 1 A 34 34 ILE H H 34 7.908 7.793 0.115 1
1 322 . 7 1 1 A 34 34 ILE CA C 34 63.093 63.624 -0.531 1
1 323 . 7 1 1 A 34 34 ILE HA H 34 3.976 3.973 0.003 1
1 324 . 7 1 1 A 34 34 ILE CB C 34 37.654 37.311 0.343 1
1 337 . 7 1 1 A 34 34 ILE C C 34 177.579 177.694 -0.115 1
1 338 . 7 1 1 A 35 35 HIS N N 35 117.636 120.448 -2.812 1
1 339 . 7 1 1 A 35 35 HIS H H 35 7.228 7.590 -0.362 1
1 340 . 7 1 1 A 35 35 HIS CA C 35 55.502 59.600 -4.098 1
1 341 . 7 1 1 A 35 35 HIS HA H 35 4.849 4.382 0.467 1
1 342 . 7 1 1 A 35 35 HIS CB C 35 28.632 31.411 -2.779 1
1 349 . 7 1 1 A 35 35 HIS C C 35 175.806 176.669 -0.863 1
1 350 . 7 1 1 A 36 36 THR N N 36 111.751 112.044 -0.293 1
1 351 . 7 1 1 A 36 36 THR H H 36 7.810 7.585 0.225 1
1 352 . 7 1 1 A 36 36 THR CA C 36 62.645 63.405 -0.760 1
1 353 . 7 1 1 A 36 36 THR HA H 36 4.344 4.300 0.044 1
1 354 . 7 1 1 A 36 36 THR CB C 36 69.842 69.367 0.475 1
1 360 . 7 1 1 A 36 36 THR C C 36 175.493 174.246 1.247 1
1 361 . 7 1 1 A 37 37 GLY N N 37 110.648 109.139 1.509 1
1 362 . 7 1 1 A 37 37 GLY H H 37 8.229 7.675 0.554 1
1 363 . 7 1 1 A 37 37 GLY CA C 37 45.270 44.891 0.379 1
1 364 . 7 1 1 A 37 37 GLY HA2 H 37 4.029 4.186 -0.157 1
1 365 . 7 1 1 A 37 37 GLY HA3 H 37 3.944 4.189 -0.245 1
1 366 . 7 1 1 A 37 37 GLY C C 37 174.050 171.752 2.298 1
1 367 . 7 1 1 A 38 38 GLU N N 38 120.571 124.834 -4.263 1
1 368 . 7 1 1 A 38 38 GLU H H 38 8.068 9.174 -1.106 1
1 369 . 7 1 1 A 38 38 GLU CA C 38 56.459 55.114 1.345 1
1 370 . 7 1 1 A 38 38 GLU HA H 38 4.245 5.156 -0.911 1
1 371 . 7 1 1 A 38 38 GLU CB C 38 30.556 33.245 -2.689 1
1 377 . 7 1 1 A 38 38 GLU C C 38 176.194 175.009 1.185 1
1 378 . 7 1 1 A 39 39 LYS N N 39 123.762 123.903 -0.141 1
1 379 . 7 1 1 A 39 39 LYS H H 39 8.404 8.893 -0.489 1
1 380 . 7 1 1 A 39 39 LYS CA C 39 54.107 54.338 -0.231 1
1 381 . 7 1 1 A 39 39 LYS HA H 39 4.607 4.895 -0.288 1
1 382 . 7 1 1 A 39 39 LYS CB C 39 32.501 36.107 -3.606 1
1 394 . 7 1 1 A 39 39 LYS C C 39 174.460 173.617 0.843 1
1 395 . 7 1 1 A 40 40 PRO CA C 40 63.205 62.569 0.636 1
1 396 . 7 1 1 A 40 40 PRO HA H 40 4.462 4.727 -0.265 1
1 397 . 7 1 1 A 40 40 PRO CB C 40 32.180 30.123 2.057 1
1 406 . 7 1 1 A 42 42 GLY CA C 42 44.664 44.554 0.110 1
1 407 . 7 1 1 A 42 42 GLY HA2 H 42 4.110 4.082 0.028 1
1 408 . 7 1 1 A 42 42 GLY HA3 H 42 4.157 4.082 0.075 1
1 409 . 7 1 1 A 43 43 PRO CA C 43 63.253 62.759 0.494 1
1 410 . 7 1 1 A 43 43 PRO HA H 43 4.472 4.777 -0.305 1
1 411 . 7 1 1 A 43 43 PRO CB C 43 32.202 31.775 0.427 1
1 1 . 8 1 1 A 9 9 GLY CA C 9 45.191 45.852 -0.661 1
1 2 . 8 1 1 A 9 9 GLY HA2 H 9 3.910 4.206 -0.296 1
1 3 . 8 1 1 A 9 9 GLY HA3 H 9 3.910 4.206 -0.296 1
1 4 . 8 1 1 A 9 9 GLY C C 9 174.087 174.104 -0.017 1
1 5 . 8 1 1 A 10 10 GLU N N 10 120.188 120.849 -0.661 1
1 6 . 8 1 1 A 10 10 GLU H H 10 8.196 8.593 -0.397 1
1 7 . 8 1 1 A 10 10 GLU CA C 10 56.995 57.577 -0.582 1
1 8 . 8 1 1 A 10 10 GLU HA H 10 4.167 4.622 -0.455 1
1 9 . 8 1 1 A 10 10 GLU CB C 10 30.393 32.815 -2.422 1
1 15 . 8 1 1 A 10 10 GLU C C 10 176.271 176.681 -0.410 1
1 16 . 8 1 1 A 11 11 LYS N N 11 120.905 119.847 1.058 1
1 17 . 8 1 1 A 11 11 LYS H H 11 8.243 7.692 0.551 1
1 18 . 8 1 1 A 11 11 LYS CA C 11 53.823 55.165 -1.342 1
1 19 . 8 1 1 A 11 11 LYS HA H 11 4.538 4.425 0.113 1
1 20 . 8 1 1 A 11 11 LYS CB C 11 33.303 31.860 1.443 1
1 32 . 8 1 1 A 11 11 LYS C C 11 173.935 176.699 -2.764 1
1 33 . 8 1 1 A 12 12 PRO CA C 12 63.584 65.020 -1.436 1
1 34 . 8 1 1 A 12 12 PRO HA H 12 4.263 4.271 -0.008 1
1 35 . 8 1 1 A 12 12 PRO CB C 12 32.345 31.681 0.664 1
1 44 . 8 1 1 A 12 12 PRO C C 12 176.502 176.138 0.364 1
1 45 . 8 1 1 A 13 13 PHE N N 13 118.504 118.434 0.070 1
1 46 . 8 1 1 A 13 13 PHE H H 13 7.832 7.862 -0.030 1
1 47 . 8 1 1 A 13 13 PHE CA C 13 57.518 57.629 -0.111 1
1 48 . 8 1 1 A 13 13 PHE HA H 13 4.678 4.975 -0.297 1
1 49 . 8 1 1 A 13 13 PHE CB C 13 39.051 40.607 -1.556 1
1 62 . 8 1 1 A 13 13 PHE C C 13 174.345 175.105 -0.760 1
1 63 . 8 1 1 A 14 14 LYS N N 14 124.932 122.441 2.491 1
1 64 . 8 1 1 A 14 14 LYS H H 14 8.568 8.999 -0.431 1
1 65 . 8 1 1 A 14 14 LYS CA C 14 55.189 55.115 0.074 1
1 66 . 8 1 1 A 14 14 LYS HA H 14 4.997 5.365 -0.368 1
1 67 . 8 1 1 A 14 14 LYS CB C 14 35.460 36.273 -0.813 1
1 79 . 8 1 1 A 14 14 LYS C C 14 175.180 174.834 0.346 1
1 80 . 8 1 1 A 15 15 CYS N N 15 127.244 124.957 2.287 1
1 81 . 8 1 1 A 15 15 CYS H H 15 9.264 9.289 -0.025 1
1 82 . 8 1 1 A 15 15 CYS CA C 15 59.641 58.555 1.086 1
1 83 . 8 1 1 A 15 15 CYS HA H 15 4.567 4.748 -0.181 1
1 84 . 8 1 1 A 15 15 CYS CB C 15 29.799 28.152 1.647 1
1 87 . 8 1 1 A 15 15 CYS C C 15 177.766 175.987 1.779 1
1 88 . 8 1 1 A 16 16 LYS N N 16 132.596 125.960 6.636 1
1 89 . 8 1 1 A 16 16 LYS H H 16 9.452 8.595 0.857 1
1 90 . 8 1 1 A 16 16 LYS CA C 16 58.651 58.495 0.156 1
1 91 . 8 1 1 A 16 16 LYS HA H 16 4.142 4.078 0.064 1
1 92 . 8 1 1 A 16 16 LYS CB C 16 32.384 31.995 0.389 1
1 104 . 8 1 1 A 16 16 LYS C C 16 176.701 178.508 -1.807 1
1 105 . 8 1 1 A 17 17 GLU N N 17 120.589 118.605 1.984 1
1 106 . 8 1 1 A 17 17 GLU H H 17 8.832 8.078 0.754 1
1 107 . 8 1 1 A 17 17 GLU CA C 17 57.941 58.690 -0.749 1
1 108 . 8 1 1 A 17 17 GLU HA H 17 4.228 4.037 0.191 1
1 109 . 8 1 1 A 17 17 GLU CB C 17 29.158 29.867 -0.709 1
1 115 . 8 1 1 A 17 17 GLU C C 17 177.504 178.178 -0.674 1
1 116 . 8 1 1 A 18 18 CYS N N 18 115.823 114.627 1.196 1
1 117 . 8 1 1 A 18 18 CYS H H 18 8.345 7.689 0.656 1
1 118 . 8 1 1 A 18 18 CYS CA C 18 58.442 59.788 -1.346 1
1 119 . 8 1 1 A 18 18 CYS HA H 18 5.196 4.534 0.662 1
1 120 . 8 1 1 A 18 18 CYS CB C 18 32.566 29.407 3.159 1
1 123 . 8 1 1 A 18 18 CYS C C 18 176.419 175.153 1.266 1
1 124 . 8 1 1 A 19 19 GLY N N 19 113.312 110.305 3.007 1
1 125 . 8 1 1 A 19 19 GLY H H 19 8.066 7.900 0.166 1
1 126 . 8 1 1 A 19 19 GLY CA C 19 46.235 45.151 1.084 1
1 127 . 8 1 1 A 19 19 GLY HA2 H 19 3.778 4.052 -0.274 1
1 128 . 8 1 1 A 19 19 GLY HA3 H 19 4.257 4.069 0.188 1
1 129 . 8 1 1 A 19 19 GLY C C 19 173.644 174.679 -1.035 1
1 130 . 8 1 1 A 20 20 LYS N N 20 123.577 122.215 1.362 1
1 131 . 8 1 1 A 20 20 LYS H H 20 7.997 7.579 0.418 1
1 132 . 8 1 1 A 20 20 LYS CA C 20 58.469 55.892 2.577 1
1 133 . 8 1 1 A 20 20 LYS HA H 20 3.908 4.186 -0.278 1
1 134 . 8 1 1 A 20 20 LYS CB C 20 33.466 33.402 0.064 1
1 146 . 8 1 1 A 20 20 LYS C C 20 173.507 175.242 -1.735 1
1 147 . 8 1 1 A 21 21 ALA N N 21 124.329 126.269 -1.940 1
1 148 . 8 1 1 A 21 21 ALA H H 21 7.783 8.045 -0.262 1
1 149 . 8 1 1 A 21 21 ALA CA C 21 50.334 49.750 0.584 1
1 150 . 8 1 1 A 21 21 ALA HA H 21 5.185 5.573 -0.388 1
1 151 . 8 1 1 A 21 21 ALA CB C 21 22.524 22.780 -0.256 1
1 155 . 8 1 1 A 21 21 ALA C C 21 176.077 175.593 0.484 1
1 156 . 8 1 1 A 22 22 PHE N N 22 116.711 117.501 -0.790 1
1 157 . 8 1 1 A 22 22 PHE H H 22 8.847 8.925 -0.078 1
1 158 . 8 1 1 A 22 22 PHE CA C 22 57.330 56.999 0.331 1
1 159 . 8 1 1 A 22 22 PHE HA H 22 4.775 5.101 -0.326 1
1 160 . 8 1 1 A 22 22 PHE CB C 22 43.939 43.831 0.108 1
1 173 . 8 1 1 A 22 22 PHE C C 22 175.213 175.569 -0.356 1
1 174 . 8 1 1 A 23 23 ARG N N 23 120.534 119.623 0.911 1
1 175 . 8 1 1 A 23 23 ARG H H 23 9.558 9.022 0.536 1
1 176 . 8 1 1 A 23 23 ARG CA C 23 58.450 56.673 1.777 1
1 177 . 8 1 1 A 23 23 ARG HA H 23 4.579 4.895 -0.316 1
1 178 . 8 1 1 A 23 23 ARG CB C 23 31.693 33.010 -1.317 1
1 187 . 8 1 1 A 23 23 ARG C C 23 176.152 176.029 0.123 1
1 188 . 8 1 1 A 24 24 GLN N N 24 112.058 117.797 -5.739 1
1 189 . 8 1 1 A 24 24 GLN H H 24 7.643 7.705 -0.062 1
1 190 . 8 1 1 A 24 24 GLN CA C 24 53.900 54.196 -0.296 1
1 191 . 8 1 1 A 24 24 GLN HA H 24 4.749 4.819 -0.070 1
1 192 . 8 1 1 A 24 24 GLN CB C 24 32.181 31.093 1.088 1
1 201 . 8 1 1 A 24 24 GLN C C 24 176.122 175.166 0.956 1
1 202 . 8 1 1 A 25 25 ASN CA C 25 56.267 55.537 0.730 1
1 203 . 8 1 1 A 25 25 ASN HA H 25 3.435 2.651 0.784 1
1 204 . 8 1 1 A 25 25 ASN CB C 25 37.777 37.759 0.018 1
1 210 . 8 1 1 A 25 25 ASN C C 25 177.746 176.070 1.676 1
1 211 . 8 1 1 A 26 26 ILE N N 26 115.551 119.236 -3.685 1
1 212 . 8 1 1 A 26 26 ILE H H 26 8.132 7.716 0.416 1
1 213 . 8 1 1 A 26 26 ILE CA C 26 63.728 63.269 0.459 1
1 214 . 8 1 1 A 26 26 ILE HA H 26 3.895 3.741 0.154 1
1 215 . 8 1 1 A 26 26 ILE CB C 26 37.791 37.855 -0.064 1
1 228 . 8 1 1 A 26 26 ILE C C 26 177.174 177.384 -0.210 1
1 229 . 8 1 1 A 27 27 HIS N N 27 120.664 120.983 -0.319 1
1 230 . 8 1 1 A 27 27 HIS H H 27 6.592 7.526 -0.934 1
1 231 . 8 1 1 A 27 27 HIS CA C 27 56.928 59.886 -2.958 1
1 232 . 8 1 1 A 27 27 HIS HA H 27 4.515 4.310 0.205 1
1 233 . 8 1 1 A 27 27 HIS CB C 27 31.690 30.138 1.552 1
1 240 . 8 1 1 A 27 27 HIS C C 27 178.354 177.619 0.735 1
1 241 . 8 1 1 A 28 28 LEU N N 28 122.071 120.435 1.636 1
1 242 . 8 1 1 A 28 28 LEU H H 28 6.883 7.299 -0.416 1
1 243 . 8 1 1 A 28 28 LEU CA C 28 57.620 57.150 0.470 1
1 244 . 8 1 1 A 28 28 LEU HA H 28 3.326 2.480 0.846 1
1 245 . 8 1 1 A 28 28 LEU CB C 28 40.160 40.844 -0.684 1
1 258 . 8 1 1 A 28 28 LEU C C 28 177.151 177.941 -0.790 1
1 259 . 8 1 1 A 29 29 ALA N N 29 120.705 120.726 -0.021 1
1 260 . 8 1 1 A 29 29 ALA H H 29 8.279 8.016 0.263 1
1 261 . 8 1 1 A 29 29 ALA CA C 29 55.529 54.928 0.601 1
1 262 . 8 1 1 A 29 29 ALA HA H 29 3.938 4.025 -0.087 1
1 263 . 8 1 1 A 29 29 ALA CB C 29 17.758 17.934 -0.176 1
1 267 . 8 1 1 A 29 29 ALA C C 29 180.633 180.385 0.248 1
1 268 . 8 1 1 A 30 30 SER N N 30 111.186 113.310 -2.124 1
1 269 . 8 1 1 A 30 30 SER H H 30 7.532 7.656 -0.124 1
1 270 . 8 1 1 A 30 30 SER CA C 30 61.154 60.632 0.522 1
1 271 . 8 1 1 A 30 30 SER HA H 30 4.145 4.202 -0.057 1
1 272 . 8 1 1 A 30 30 SER CB C 30 62.792 62.967 -0.175 1
1 275 . 8 1 1 A 30 30 SER C C 30 176.819 176.556 0.263 1
1 276 . 8 1 1 A 31 31 HIS N N 31 122.310 121.132 1.178 1
1 277 . 8 1 1 A 31 31 HIS H H 31 7.533 7.688 -0.155 1
1 278 . 8 1 1 A 31 31 HIS CA C 31 59.375 59.368 0.007 1
1 279 . 8 1 1 A 31 31 HIS HA H 31 4.196 4.223 -0.027 1
1 280 . 8 1 1 A 31 31 HIS CB C 31 28.704 30.227 -1.523 1
1 287 . 8 1 1 A 31 31 HIS C C 31 176.094 177.202 -1.108 1
1 288 . 8 1 1 A 32 32 LEU N N 32 116.904 119.489 -2.585 1
1 289 . 8 1 1 A 32 32 LEU H H 32 8.410 8.827 -0.417 1
1 290 . 8 1 1 A 32 32 LEU CA C 32 58.179 57.905 0.274 1
1 291 . 8 1 1 A 32 32 LEU HA H 32 3.831 3.924 -0.093 1
1 292 . 8 1 1 A 32 32 LEU CB C 32 42.008 41.526 0.482 1
1 305 . 8 1 1 A 32 32 LEU C C 32 178.884 179.319 -0.435 1
1 306 . 8 1 1 A 33 33 ARG N N 33 116.036 118.849 -2.813 1
1 307 . 8 1 1 A 33 33 ARG H H 33 7.068 8.361 -1.293 1
1 308 . 8 1 1 A 33 33 ARG CA C 33 58.384 59.747 -1.363 1
1 309 . 8 1 1 A 33 33 ARG HA H 33 4.131 4.341 -0.210 1
1 310 . 8 1 1 A 33 33 ARG CB C 33 29.968 29.622 0.346 1
1 319 . 8 1 1 A 33 33 ARG C C 33 178.701 179.105 -0.404 1
1 320 . 8 1 1 A 34 34 ILE N N 34 116.874 117.039 -0.165 1
1 321 . 8 1 1 A 34 34 ILE H H 34 7.908 7.933 -0.025 1
1 322 . 8 1 1 A 34 34 ILE CA C 34 63.093 63.030 0.063 1
1 323 . 8 1 1 A 34 34 ILE HA H 34 3.976 3.864 0.112 1
1 324 . 8 1 1 A 34 34 ILE CB C 34 37.654 37.197 0.457 1
1 337 . 8 1 1 A 34 34 ILE C C 34 177.579 176.789 0.790 1
1 338 . 8 1 1 A 35 35 HIS N N 35 117.636 119.337 -1.701 1
1 339 . 8 1 1 A 35 35 HIS H H 35 7.228 7.904 -0.676 1
1 340 . 8 1 1 A 35 35 HIS CA C 35 55.502 57.229 -1.727 1
1 341 . 8 1 1 A 35 35 HIS HA H 35 4.849 4.571 0.278 1
1 342 . 8 1 1 A 35 35 HIS CB C 35 28.632 31.202 -2.570 1
1 349 . 8 1 1 A 35 35 HIS C C 35 175.806 176.256 -0.450 1
1 350 . 8 1 1 A 36 36 THR N N 36 111.751 108.943 2.808 1
1 351 . 8 1 1 A 36 36 THR H H 36 7.810 7.820 -0.010 1
1 352 . 8 1 1 A 36 36 THR CA C 36 62.645 61.145 1.500 1
1 353 . 8 1 1 A 36 36 THR HA H 36 4.344 4.328 0.016 1
1 354 . 8 1 1 A 36 36 THR CB C 36 69.842 68.850 0.992 1
1 360 . 8 1 1 A 36 36 THR C C 36 175.493 175.112 0.381 1
1 361 . 8 1 1 A 37 37 GLY N N 37 110.648 109.454 1.194 1
1 362 . 8 1 1 A 37 37 GLY H H 37 8.229 7.459 0.770 1
1 363 . 8 1 1 A 37 37 GLY CA C 37 45.270 45.654 -0.384 1
1 364 . 8 1 1 A 37 37 GLY HA2 H 37 4.029 4.113 -0.084 1
1 365 . 8 1 1 A 37 37 GLY HA3 H 37 3.944 4.123 -0.179 1
1 366 . 8 1 1 A 37 37 GLY C C 37 174.050 174.546 -0.496 1
1 367 . 8 1 1 A 38 38 GLU N N 38 120.571 119.151 1.420 1
1 368 . 8 1 1 A 38 38 GLU H H 38 8.068 7.617 0.451 1
1 369 . 8 1 1 A 38 38 GLU CA C 38 56.459 55.991 0.468 1
1 370 . 8 1 1 A 38 38 GLU HA H 38 4.245 4.426 -0.181 1
1 371 . 8 1 1 A 38 38 GLU CB C 38 30.556 29.390 1.166 1
1 377 . 8 1 1 A 38 38 GLU C C 38 176.194 176.256 -0.062 1
1 378 . 8 1 1 A 39 39 LYS N N 39 123.762 115.542 8.220 1
1 379 . 8 1 1 A 39 39 LYS H H 39 8.404 7.277 1.127 1
1 380 . 8 1 1 A 39 39 LYS CA C 39 54.107 54.061 0.046 1
1 381 . 8 1 1 A 39 39 LYS HA H 39 4.607 4.760 -0.153 1
1 382 . 8 1 1 A 39 39 LYS CB C 39 32.501 33.575 -1.074 1
1 394 . 8 1 1 A 39 39 LYS C C 39 174.460 175.904 -1.444 1
1 395 . 8 1 1 A 40 40 PRO CA C 40 63.205 64.245 -1.040 1
1 396 . 8 1 1 A 40 40 PRO HA H 40 4.462 4.445 0.017 1
1 397 . 8 1 1 A 40 40 PRO CB C 40 32.180 32.102 0.078 1
1 406 . 8 1 1 A 42 42 GLY CA C 42 44.664 45.552 -0.888 1
1 407 . 8 1 1 A 42 42 GLY HA2 H 42 4.110 4.293 -0.183 1
1 408 . 8 1 1 A 42 42 GLY HA3 H 42 4.157 4.293 -0.136 1
1 409 . 8 1 1 A 43 43 PRO CA C 43 63.253 62.794 0.459 1
1 410 . 8 1 1 A 43 43 PRO HA H 43 4.472 4.462 0.010 1
1 411 . 8 1 1 A 43 43 PRO CB C 43 32.202 32.120 0.082 1
1 1 . 9 1 1 A 9 9 GLY CA C 9 45.191 44.539 0.652 1
1 2 . 9 1 1 A 9 9 GLY HA2 H 9 3.910 4.028 -0.118 1
1 3 . 9 1 1 A 9 9 GLY HA3 H 9 3.910 4.038 -0.128 1
1 4 . 9 1 1 A 9 9 GLY C C 9 174.087 173.093 0.994 1
1 5 . 9 1 1 A 10 10 GLU N N 10 120.188 120.121 0.067 1
1 6 . 9 1 1 A 10 10 GLU H H 10 8.196 8.545 -0.349 1
1 7 . 9 1 1 A 10 10 GLU CA C 10 56.995 55.682 1.313 1
1 8 . 9 1 1 A 10 10 GLU HA H 10 4.167 4.747 -0.580 1
1 9 . 9 1 1 A 10 10 GLU CB C 10 30.393 28.958 1.435 1
1 15 . 9 1 1 A 10 10 GLU C C 10 176.271 175.057 1.214 1
1 16 . 9 1 1 A 11 11 LYS N N 11 120.905 124.073 -3.168 1
1 17 . 9 1 1 A 11 11 LYS H H 11 8.243 7.918 0.325 1
1 18 . 9 1 1 A 11 11 LYS CA C 11 53.823 53.035 0.788 1
1 19 . 9 1 1 A 11 11 LYS HA H 11 4.538 4.861 -0.323 1
1 20 . 9 1 1 A 11 11 LYS CB C 11 33.303 34.638 -1.335 1
1 32 . 9 1 1 A 11 11 LYS C C 11 173.935 176.117 -2.182 1
1 33 . 9 1 1 A 12 12 PRO CA C 12 63.584 65.007 -1.423 1
1 34 . 9 1 1 A 12 12 PRO HA H 12 4.263 4.290 -0.027 1
1 35 . 9 1 1 A 12 12 PRO CB C 12 32.345 31.822 0.523 1
1 44 . 9 1 1 A 12 12 PRO C C 12 176.502 176.303 0.199 1
1 45 . 9 1 1 A 13 13 PHE N N 13 118.504 118.406 0.098 1
1 46 . 9 1 1 A 13 13 PHE H H 13 7.832 7.517 0.315 1
1 47 . 9 1 1 A 13 13 PHE CA C 13 57.518 57.992 -0.474 1
1 48 . 9 1 1 A 13 13 PHE HA H 13 4.678 4.736 -0.058 1
1 49 . 9 1 1 A 13 13 PHE CB C 13 39.051 40.232 -1.181 1
1 62 . 9 1 1 A 13 13 PHE C C 13 174.345 175.082 -0.737 1
1 63 . 9 1 1 A 14 14 LYS N N 14 124.932 122.665 2.267 1
1 64 . 9 1 1 A 14 14 LYS H H 14 8.568 9.011 -0.443 1
1 65 . 9 1 1 A 14 14 LYS CA C 14 55.189 54.675 0.514 1
1 66 . 9 1 1 A 14 14 LYS HA H 14 4.997 5.360 -0.363 1
1 67 . 9 1 1 A 14 14 LYS CB C 14 35.460 36.377 -0.917 1
1 79 . 9 1 1 A 14 14 LYS C C 14 175.180 175.213 -0.033 1
1 80 . 9 1 1 A 15 15 CYS N N 15 127.244 124.659 2.585 1
1 81 . 9 1 1 A 15 15 CYS H H 15 9.264 9.484 -0.220 1
1 82 . 9 1 1 A 15 15 CYS CA C 15 59.641 59.327 0.314 1
1 83 . 9 1 1 A 15 15 CYS HA H 15 4.567 4.628 -0.061 1
1 84 . 9 1 1 A 15 15 CYS CB C 15 29.799 28.640 1.159 1
1 87 . 9 1 1 A 15 15 CYS C C 15 177.766 175.844 1.922 1
1 88 . 9 1 1 A 16 16 LYS N N 16 132.596 128.397 4.199 1
1 89 . 9 1 1 A 16 16 LYS H H 16 9.452 9.109 0.343 1
1 90 . 9 1 1 A 16 16 LYS CA C 16 58.651 56.419 2.232 1
1 91 . 9 1 1 A 16 16 LYS HA H 16 4.142 4.492 -0.350 1
1 92 . 9 1 1 A 16 16 LYS CB C 16 32.384 32.173 0.211 1
1 104 . 9 1 1 A 16 16 LYS C C 16 176.701 176.740 -0.039 1
1 105 . 9 1 1 A 17 17 GLU N N 17 120.589 117.299 3.290 1
1 106 . 9 1 1 A 17 17 GLU H H 17 8.832 7.515 1.317 1
1 107 . 9 1 1 A 17 17 GLU CA C 17 57.941 57.383 0.558 1
1 108 . 9 1 1 A 17 17 GLU HA H 17 4.228 4.345 -0.117 1
1 109 . 9 1 1 A 17 17 GLU CB C 17 29.158 30.556 -1.398 1
1 115 . 9 1 1 A 17 17 GLU C C 17 177.504 178.019 -0.515 1
1 116 . 9 1 1 A 18 18 CYS N N 18 115.823 114.532 1.291 1
1 117 . 9 1 1 A 18 18 CYS H H 18 8.345 8.008 0.337 1
1 118 . 9 1 1 A 18 18 CYS CA C 18 58.442 59.645 -1.203 1
1 119 . 9 1 1 A 18 18 CYS HA H 18 5.196 4.783 0.413 1
1 120 . 9 1 1 A 18 18 CYS CB C 18 32.566 30.038 2.528 1
1 123 . 9 1 1 A 18 18 CYS C C 18 176.419 175.596 0.823 1
1 124 . 9 1 1 A 19 19 GLY N N 19 113.312 109.780 3.532 1
1 125 . 9 1 1 A 19 19 GLY H H 19 8.066 7.995 0.071 1
1 126 . 9 1 1 A 19 19 GLY CA C 19 46.235 44.926 1.309 1
1 127 . 9 1 1 A 19 19 GLY HA2 H 19 3.778 4.091 -0.313 1
1 128 . 9 1 1 A 19 19 GLY HA3 H 19 4.257 4.103 0.154 1
1 129 . 9 1 1 A 19 19 GLY C C 19 173.644 174.577 -0.933 1
1 130 . 9 1 1 A 20 20 LYS N N 20 123.577 122.455 1.122 1
1 131 . 9 1 1 A 20 20 LYS H H 20 7.997 7.539 0.458 1
1 132 . 9 1 1 A 20 20 LYS CA C 20 58.469 56.451 2.018 1
1 133 . 9 1 1 A 20 20 LYS HA H 20 3.908 4.086 -0.178 1
1 134 . 9 1 1 A 20 20 LYS CB C 20 33.466 33.282 0.184 1
1 146 . 9 1 1 A 20 20 LYS C C 20 173.507 175.074 -1.567 1
1 147 . 9 1 1 A 21 21 ALA N N 21 124.329 124.661 -0.332 1
1 148 . 9 1 1 A 21 21 ALA H H 21 7.783 7.706 0.077 1
1 149 . 9 1 1 A 21 21 ALA CA C 21 50.334 49.813 0.521 1
1 150 . 9 1 1 A 21 21 ALA HA H 21 5.185 5.350 -0.165 1
1 151 . 9 1 1 A 21 21 ALA CB C 21 22.524 23.386 -0.862 1
1 155 . 9 1 1 A 21 21 ALA C C 21 176.077 175.066 1.011 1
1 156 . 9 1 1 A 22 22 PHE N N 22 116.711 116.743 -0.032 1
1 157 . 9 1 1 A 22 22 PHE H H 22 8.847 8.787 0.060 1
1 158 . 9 1 1 A 22 22 PHE CA C 22 57.330 56.822 0.508 1
1 159 . 9 1 1 A 22 22 PHE HA H 22 4.775 5.092 -0.317 1
1 160 . 9 1 1 A 22 22 PHE CB C 22 43.939 44.025 -0.086 1
1 173 . 9 1 1 A 22 22 PHE C C 22 175.213 175.521 -0.308 1
1 174 . 9 1 1 A 23 23 ARG N N 23 120.534 122.107 -1.573 1
1 175 . 9 1 1 A 23 23 ARG H H 23 9.558 9.056 0.502 1
1 176 . 9 1 1 A 23 23 ARG CA C 23 58.450 57.354 1.096 1
1 177 . 9 1 1 A 23 23 ARG HA H 23 4.579 4.619 -0.040 1
1 178 . 9 1 1 A 23 23 ARG CB C 23 31.693 31.701 -0.008 1
1 187 . 9 1 1 A 23 23 ARG C C 23 176.152 176.341 -0.189 1
1 188 . 9 1 1 A 24 24 GLN N N 24 112.058 119.199 -7.141 1
1 189 . 9 1 1 A 24 24 GLN H H 24 7.643 7.653 -0.010 1
1 190 . 9 1 1 A 24 24 GLN CA C 24 53.900 55.219 -1.319 1
1 191 . 9 1 1 A 24 24 GLN HA H 24 4.749 4.597 0.152 1
1 192 . 9 1 1 A 24 24 GLN CB C 24 32.181 30.663 1.518 1
1 201 . 9 1 1 A 24 24 GLN C C 24 176.122 175.659 0.463 1
1 202 . 9 1 1 A 25 25 ASN CA C 25 56.267 55.880 0.387 1
1 203 . 9 1 1 A 25 25 ASN HA H 25 3.435 2.858 0.577 1
1 204 . 9 1 1 A 25 25 ASN CB C 25 37.777 38.399 -0.622 1
1 210 . 9 1 1 A 25 25 ASN C C 25 177.746 176.318 1.428 1
1 211 . 9 1 1 A 26 26 ILE N N 26 115.551 119.776 -4.225 1
1 212 . 9 1 1 A 26 26 ILE H H 26 8.132 7.891 0.241 1
1 213 . 9 1 1 A 26 26 ILE CA C 26 63.728 63.709 0.019 1
1 214 . 9 1 1 A 26 26 ILE HA H 26 3.895 3.765 0.130 1
1 215 . 9 1 1 A 26 26 ILE CB C 26 37.791 37.503 0.288 1
1 228 . 9 1 1 A 26 26 ILE C C 26 177.174 177.622 -0.448 1
1 229 . 9 1 1 A 27 27 HIS N N 27 120.664 120.838 -0.174 1
1 230 . 9 1 1 A 27 27 HIS H H 27 6.592 7.856 -1.264 1
1 231 . 9 1 1 A 27 27 HIS CA C 27 56.928 59.469 -2.541 1
1 232 . 9 1 1 A 27 27 HIS HA H 27 4.515 4.206 0.309 1
1 233 . 9 1 1 A 27 27 HIS CB C 27 31.690 30.023 1.667 1
1 240 . 9 1 1 A 27 27 HIS C C 27 178.354 176.979 1.375 1
1 241 . 9 1 1 A 28 28 LEU N N 28 122.071 120.341 1.730 1
1 242 . 9 1 1 A 28 28 LEU H H 28 6.883 7.260 -0.377 1
1 243 . 9 1 1 A 28 28 LEU CA C 28 57.620 57.403 0.217 1
1 244 . 9 1 1 A 28 28 LEU HA H 28 3.326 2.370 0.956 1
1 245 . 9 1 1 A 28 28 LEU CB C 28 40.160 41.539 -1.379 1
1 258 . 9 1 1 A 28 28 LEU C C 28 177.151 177.683 -0.532 1
1 259 . 9 1 1 A 29 29 ALA N N 29 120.705 120.627 0.078 1
1 260 . 9 1 1 A 29 29 ALA H H 29 8.279 7.977 0.302 1
1 261 . 9 1 1 A 29 29 ALA CA C 29 55.529 54.873 0.656 1
1 262 . 9 1 1 A 29 29 ALA HA H 29 3.938 3.980 -0.042 1
1 263 . 9 1 1 A 29 29 ALA CB C 29 17.758 18.126 -0.368 1
1 267 . 9 1 1 A 29 29 ALA C C 29 180.633 180.060 0.573 1
1 268 . 9 1 1 A 30 30 SER N N 30 111.186 113.453 -2.267 1
1 269 . 9 1 1 A 30 30 SER H H 30 7.532 7.648 -0.116 1
1 270 . 9 1 1 A 30 30 SER CA C 30 61.154 60.827 0.327 1
1 271 . 9 1 1 A 30 30 SER HA H 30 4.145 4.144 0.001 1
1 272 . 9 1 1 A 30 30 SER CB C 30 62.792 62.973 -0.181 1
1 275 . 9 1 1 A 30 30 SER C C 30 176.819 176.494 0.325 1
1 276 . 9 1 1 A 31 31 HIS N N 31 122.310 121.328 0.982 1
1 277 . 9 1 1 A 31 31 HIS H H 31 7.533 7.605 -0.072 1
1 278 . 9 1 1 A 31 31 HIS CA C 31 59.375 59.941 -0.566 1
1 279 . 9 1 1 A 31 31 HIS HA H 31 4.196 4.362 -0.166 1
1 280 . 9 1 1 A 31 31 HIS CB C 31 28.704 30.008 -1.304 1
1 287 . 9 1 1 A 31 31 HIS C C 31 176.094 176.853 -0.759 1
1 288 . 9 1 1 A 32 32 LEU N N 32 116.904 118.644 -1.740 1
1 289 . 9 1 1 A 32 32 LEU H H 32 8.410 8.374 0.036 1
1 290 . 9 1 1 A 32 32 LEU CA C 32 58.179 57.159 1.020 1
1 291 . 9 1 1 A 32 32 LEU HA H 32 3.831 3.910 -0.079 1
1 292 . 9 1 1 A 32 32 LEU CB C 32 42.008 41.403 0.605 1
1 305 . 9 1 1 A 32 32 LEU C C 32 178.884 179.611 -0.727 1
1 306 . 9 1 1 A 33 33 ARG N N 33 116.036 119.307 -3.271 1
1 307 . 9 1 1 A 33 33 ARG H H 33 7.068 8.310 -1.242 1
1 308 . 9 1 1 A 33 33 ARG CA C 33 58.384 59.430 -1.046 1
1 309 . 9 1 1 A 33 33 ARG HA H 33 4.131 4.007 0.124 1
1 310 . 9 1 1 A 33 33 ARG CB C 33 29.968 29.961 0.007 1
1 319 . 9 1 1 A 33 33 ARG C C 33 178.701 178.975 -0.274 1
1 320 . 9 1 1 A 34 34 ILE N N 34 116.874 117.682 -0.808 1
1 321 . 9 1 1 A 34 34 ILE H H 34 7.908 7.529 0.379 1
1 322 . 9 1 1 A 34 34 ILE CA C 34 63.093 64.197 -1.104 1
1 323 . 9 1 1 A 34 34 ILE HA H 34 3.976 3.757 0.219 1
1 324 . 9 1 1 A 34 34 ILE CB C 34 37.654 37.398 0.256 1
1 337 . 9 1 1 A 34 34 ILE C C 34 177.579 178.014 -0.435 1
1 338 . 9 1 1 A 35 35 HIS N N 35 117.636 120.563 -2.927 1
1 339 . 9 1 1 A 35 35 HIS H H 35 7.228 7.945 -0.717 1
1 340 . 9 1 1 A 35 35 HIS CA C 35 55.502 59.506 -4.004 1
1 341 . 9 1 1 A 35 35 HIS HA H 35 4.849 4.285 0.564 1
1 342 . 9 1 1 A 35 35 HIS CB C 35 28.632 30.397 -1.765 1
1 349 . 9 1 1 A 35 35 HIS C C 35 175.806 176.075 -0.269 1
1 350 . 9 1 1 A 36 36 THR N N 36 111.751 112.406 -0.655 1
1 351 . 9 1 1 A 36 36 THR H H 36 7.810 7.757 0.053 1
1 352 . 9 1 1 A 36 36 THR CA C 36 62.645 60.853 1.792 1
1 353 . 9 1 1 A 36 36 THR HA H 36 4.344 4.458 -0.114 1
1 354 . 9 1 1 A 36 36 THR CB C 36 69.842 69.079 0.763 1
1 360 . 9 1 1 A 36 36 THR C C 36 175.493 174.536 0.957 1
1 361 . 9 1 1 A 37 37 GLY N N 37 110.648 113.453 -2.805 1
1 362 . 9 1 1 A 37 37 GLY H H 37 8.229 8.707 -0.478 1
1 363 . 9 1 1 A 37 37 GLY CA C 37 45.270 44.465 0.805 1
1 364 . 9 1 1 A 37 37 GLY HA2 H 37 4.029 4.068 -0.039 1
1 365 . 9 1 1 A 37 37 GLY HA3 H 37 3.944 4.068 -0.124 1
1 366 . 9 1 1 A 37 37 GLY C C 37 174.050 174.902 -0.852 1
1 367 . 9 1 1 A 38 38 GLU N N 38 120.571 125.760 -5.189 1
1 368 . 9 1 1 A 38 38 GLU H H 38 8.068 8.407 -0.339 1
1 369 . 9 1 1 A 38 38 GLU CA C 38 56.459 56.022 0.437 1
1 370 . 9 1 1 A 38 38 GLU HA H 38 4.245 4.475 -0.230 1
1 371 . 9 1 1 A 38 38 GLU CB C 38 30.556 30.186 0.370 1
1 377 . 9 1 1 A 38 38 GLU C C 38 176.194 176.860 -0.666 1
1 378 . 9 1 1 A 39 39 LYS N N 39 123.762 118.117 5.645 1
1 379 . 9 1 1 A 39 39 LYS H H 39 8.404 7.797 0.607 1
1 380 . 9 1 1 A 39 39 LYS CA C 39 54.107 54.141 -0.034 1
1 381 . 9 1 1 A 39 39 LYS HA H 39 4.607 4.583 0.024 1
1 382 . 9 1 1 A 39 39 LYS CB C 39 32.501 32.326 0.175 1
1 394 . 9 1 1 A 39 39 LYS C C 39 174.460 176.444 -1.984 1
1 395 . 9 1 1 A 40 40 PRO CA C 40 63.205 64.491 -1.286 1
1 396 . 9 1 1 A 40 40 PRO HA H 40 4.462 4.478 -0.016 1
1 397 . 9 1 1 A 40 40 PRO CB C 40 32.180 31.778 0.402 1
1 406 . 9 1 1 A 42 42 GLY CA C 42 44.664 45.502 -0.838 1
1 407 . 9 1 1 A 42 42 GLY HA2 H 42 4.110 4.350 -0.240 1
1 408 . 9 1 1 A 42 42 GLY HA3 H 42 4.157 4.351 -0.194 1
1 409 . 9 1 1 A 43 43 PRO CA C 43 63.253 64.146 -0.893 1
1 410 . 9 1 1 A 43 43 PRO HA H 43 4.472 4.485 -0.013 1
1 411 . 9 1 1 A 43 43 PRO CB C 43 32.202 31.813 0.389 1
1 1 . 10 1 1 A 9 9 GLY CA C 9 45.191 45.675 -0.484 1
1 2 . 10 1 1 A 9 9 GLY HA2 H 9 3.910 4.012 -0.102 1
1 3 . 10 1 1 A 9 9 GLY HA3 H 9 3.910 4.014 -0.104 1
1 4 . 10 1 1 A 9 9 GLY C C 9 174.087 174.750 -0.663 1
1 5 . 10 1 1 A 10 10 GLU N N 10 120.188 120.564 -0.376 1
1 6 . 10 1 1 A 10 10 GLU H H 10 8.196 7.916 0.280 1
1 7 . 10 1 1 A 10 10 GLU CA C 10 56.995 58.038 -1.043 1
1 8 . 10 1 1 A 10 10 GLU HA H 10 4.167 4.330 -0.163 1
1 9 . 10 1 1 A 10 10 GLU CB C 10 30.393 30.821 -0.428 1
1 15 . 10 1 1 A 10 10 GLU C C 10 176.271 176.816 -0.545 1
1 16 . 10 1 1 A 11 11 LYS N N 11 120.905 119.233 1.672 1
1 17 . 10 1 1 A 11 11 LYS H H 11 8.243 7.657 0.586 1
1 18 . 10 1 1 A 11 11 LYS CA C 11 53.823 55.049 -1.226 1
1 19 . 10 1 1 A 11 11 LYS HA H 11 4.538 4.419 0.119 1
1 20 . 10 1 1 A 11 11 LYS CB C 11 33.303 31.566 1.737 1
1 32 . 10 1 1 A 11 11 LYS C C 11 173.935 176.605 -2.670 1
1 33 . 10 1 1 A 12 12 PRO CA C 12 63.584 65.015 -1.431 1
1 34 . 10 1 1 A 12 12 PRO HA H 12 4.263 4.277 -0.014 1
1 35 . 10 1 1 A 12 12 PRO CB C 12 32.345 31.643 0.702 1
1 44 . 10 1 1 A 12 12 PRO C C 12 176.502 176.286 0.216 1
1 45 . 10 1 1 A 13 13 PHE N N 13 118.504 118.075 0.429 1
1 46 . 10 1 1 A 13 13 PHE H H 13 7.832 7.834 -0.002 1
1 47 . 10 1 1 A 13 13 PHE CA C 13 57.518 57.980 -0.462 1
1 48 . 10 1 1 A 13 13 PHE HA H 13 4.678 4.858 -0.180 1
1 49 . 10 1 1 A 13 13 PHE CB C 13 39.051 40.049 -0.998 1
1 62 . 10 1 1 A 13 13 PHE C C 13 174.345 175.054 -0.709 1
1 63 . 10 1 1 A 14 14 LYS N N 14 124.932 122.839 2.093 1
1 64 . 10 1 1 A 14 14 LYS H H 14 8.568 8.916 -0.348 1
1 65 . 10 1 1 A 14 14 LYS CA C 14 55.189 54.817 0.372 1
1 66 . 10 1 1 A 14 14 LYS HA H 14 4.997 5.476 -0.479 1
1 67 . 10 1 1 A 14 14 LYS CB C 14 35.460 36.501 -1.041 1
1 79 . 10 1 1 A 14 14 LYS C C 14 175.180 175.435 -0.255 1
1 80 . 10 1 1 A 15 15 CYS N N 15 127.244 125.009 2.235 1
1 81 . 10 1 1 A 15 15 CYS H H 15 9.264 9.750 -0.486 1
1 82 . 10 1 1 A 15 15 CYS CA C 15 59.641 60.073 -0.432 1
1 83 . 10 1 1 A 15 15 CYS HA H 15 4.567 4.702 -0.135 1
1 84 . 10 1 1 A 15 15 CYS CB C 15 29.799 28.654 1.145 1
1 87 . 10 1 1 A 15 15 CYS C C 15 177.766 176.472 1.294 1
1 88 . 10 1 1 A 16 16 LYS N N 16 132.596 128.231 4.365 1
1 89 . 10 1 1 A 16 16 LYS H H 16 9.452 9.083 0.369 1
1 90 . 10 1 1 A 16 16 LYS CA C 16 58.651 56.267 2.384 1
1 91 . 10 1 1 A 16 16 LYS HA H 16 4.142 4.533 -0.391 1
1 92 . 10 1 1 A 16 16 LYS CB C 16 32.384 32.862 -0.478 1
1 104 . 10 1 1 A 16 16 LYS C C 16 176.701 177.627 -0.926 1
1 105 . 10 1 1 A 17 17 GLU N N 17 120.589 120.177 0.412 1
1 106 . 10 1 1 A 17 17 GLU H H 17 8.832 7.847 0.985 1
1 107 . 10 1 1 A 17 17 GLU CA C 17 57.941 57.003 0.938 1
1 108 . 10 1 1 A 17 17 GLU HA H 17 4.228 4.467 -0.239 1
1 109 . 10 1 1 A 17 17 GLU CB C 17 29.158 31.503 -2.345 1
1 115 . 10 1 1 A 17 17 GLU C C 17 177.504 177.642 -0.138 1
1 116 . 10 1 1 A 18 18 CYS N N 18 115.823 115.100 0.723 1
1 117 . 10 1 1 A 18 18 CYS H H 18 8.345 8.055 0.290 1
1 118 . 10 1 1 A 18 18 CYS CA C 18 58.442 59.722 -1.280 1
1 119 . 10 1 1 A 18 18 CYS HA H 18 5.196 4.665 0.531 1
1 120 . 10 1 1 A 18 18 CYS CB C 18 32.566 30.010 2.556 1
1 123 . 10 1 1 A 18 18 CYS C C 18 176.419 175.543 0.876 1
1 124 . 10 1 1 A 19 19 GLY N N 19 113.312 110.094 3.218 1
1 125 . 10 1 1 A 19 19 GLY H H 19 8.066 8.017 0.049 1
1 126 . 10 1 1 A 19 19 GLY CA C 19 46.235 45.072 1.163 1
1 127 . 10 1 1 A 19 19 GLY HA2 H 19 3.778 4.067 -0.289 1
1 128 . 10 1 1 A 19 19 GLY HA3 H 19 4.257 4.080 0.177 1
1 129 . 10 1 1 A 19 19 GLY C C 19 173.644 174.452 -0.808 1
1 130 . 10 1 1 A 20 20 LYS N N 20 123.577 121.837 1.740 1
1 131 . 10 1 1 A 20 20 LYS H H 20 7.997 7.546 0.451 1
1 132 . 10 1 1 A 20 20 LYS CA C 20 58.469 55.593 2.876 1
1 133 . 10 1 1 A 20 20 LYS HA H 20 3.908 4.285 -0.377 1
1 134 . 10 1 1 A 20 20 LYS CB C 20 33.466 33.524 -0.058 1
1 146 . 10 1 1 A 20 20 LYS C C 20 173.507 175.020 -1.513 1
1 147 . 10 1 1 A 21 21 ALA N N 21 124.329 125.143 -0.814 1
1 148 . 10 1 1 A 21 21 ALA H H 21 7.783 8.051 -0.268 1
1 149 . 10 1 1 A 21 21 ALA CA C 21 50.334 49.748 0.586 1
1 150 . 10 1 1 A 21 21 ALA HA H 21 5.185 5.469 -0.284 1
1 151 . 10 1 1 A 21 21 ALA CB C 21 22.524 22.547 -0.023 1
1 155 . 10 1 1 A 21 21 ALA C C 21 176.077 175.124 0.953 1
1 156 . 10 1 1 A 22 22 PHE N N 22 116.711 115.661 1.050 1
1 157 . 10 1 1 A 22 22 PHE H H 22 8.847 8.553 0.294 1
1 158 . 10 1 1 A 22 22 PHE CA C 22 57.330 56.830 0.500 1
1 159 . 10 1 1 A 22 22 PHE HA H 22 4.775 4.967 -0.192 1
1 160 . 10 1 1 A 22 22 PHE CB C 22 43.939 43.972 -0.033 1
1 173 . 10 1 1 A 22 22 PHE C C 22 175.213 175.436 -0.223 1
1 174 . 10 1 1 A 23 23 ARG N N 23 120.534 120.067 0.467 1
1 175 . 10 1 1 A 23 23 ARG H H 23 9.558 8.697 0.861 1
1 176 . 10 1 1 A 23 23 ARG CA C 23 58.450 57.034 1.416 1
1 177 . 10 1 1 A 23 23 ARG HA H 23 4.579 4.669 -0.090 1
1 178 . 10 1 1 A 23 23 ARG CB C 23 31.693 31.909 -0.216 1
1 187 . 10 1 1 A 23 23 ARG C C 23 176.152 176.513 -0.361 1
1 188 . 10 1 1 A 24 24 GLN N N 24 112.058 116.671 -4.613 1
1 189 . 10 1 1 A 24 24 GLN H H 24 7.643 7.644 -0.001 1
1 190 . 10 1 1 A 24 24 GLN CA C 24 53.900 54.115 -0.215 1
1 191 . 10 1 1 A 24 24 GLN HA H 24 4.749 4.786 -0.037 1
1 192 . 10 1 1 A 24 24 GLN CB C 24 32.181 32.371 -0.190 1
1 201 . 10 1 1 A 24 24 GLN C C 24 176.122 175.717 0.405 1
1 202 . 10 1 1 A 25 25 ASN CA C 25 56.267 55.993 0.274 1
1 203 . 10 1 1 A 25 25 ASN HA H 25 3.435 3.586 -0.151 1
1 204 . 10 1 1 A 25 25 ASN CB C 25 37.777 37.615 0.162 1
1 210 . 10 1 1 A 25 25 ASN C C 25 177.746 177.255 0.491 1
1 211 . 10 1 1 A 26 26 ILE N N 26 115.551 120.751 -5.200 1
1 212 . 10 1 1 A 26 26 ILE H H 26 8.132 7.964 0.168 1
1 213 . 10 1 1 A 26 26 ILE CA C 26 63.728 64.341 -0.613 1
1 214 . 10 1 1 A 26 26 ILE HA H 26 3.895 3.734 0.161 1
1 215 . 10 1 1 A 26 26 ILE CB C 26 37.791 37.596 0.195 1
1 228 . 10 1 1 A 26 26 ILE C C 26 177.174 177.553 -0.379 1
1 229 . 10 1 1 A 27 27 HIS N N 27 120.664 120.451 0.213 1
1 230 . 10 1 1 A 27 27 HIS H H 27 6.592 8.227 -1.635 1
1 231 . 10 1 1 A 27 27 HIS CA C 27 56.928 59.064 -2.136 1
1 232 . 10 1 1 A 27 27 HIS HA H 27 4.515 4.272 0.243 1
1 233 . 10 1 1 A 27 27 HIS CB C 27 31.690 30.012 1.678 1
1 240 . 10 1 1 A 27 27 HIS C C 27 178.354 177.270 1.084 1
1 241 . 10 1 1 A 28 28 LEU N N 28 122.071 119.913 2.158 1
1 242 . 10 1 1 A 28 28 LEU H H 28 6.883 7.408 -0.525 1
1 243 . 10 1 1 A 28 28 LEU CA C 28 57.620 57.393 0.227 1
1 244 . 10 1 1 A 28 28 LEU HA H 28 3.326 2.208 1.118 1
1 245 . 10 1 1 A 28 28 LEU CB C 28 40.160 40.961 -0.801 1
1 258 . 10 1 1 A 28 28 LEU C C 28 177.151 177.996 -0.845 1
1 259 . 10 1 1 A 29 29 ALA N N 29 120.705 120.378 0.327 1
1 260 . 10 1 1 A 29 29 ALA H H 29 8.279 8.428 -0.149 1
1 261 . 10 1 1 A 29 29 ALA CA C 29 55.529 54.879 0.650 1
1 262 . 10 1 1 A 29 29 ALA HA H 29 3.938 4.015 -0.077 1
1 263 . 10 1 1 A 29 29 ALA CB C 29 17.758 18.008 -0.250 1
1 267 . 10 1 1 A 29 29 ALA C C 29 180.633 180.056 0.577 1
1 268 . 10 1 1 A 30 30 SER N N 30 111.186 112.835 -1.649 1
1 269 . 10 1 1 A 30 30 SER H H 30 7.532 7.744 -0.212 1
1 270 . 10 1 1 A 30 30 SER CA C 30 61.154 60.688 0.466 1
1 271 . 10 1 1 A 30 30 SER HA H 30 4.145 4.205 -0.060 1
1 272 . 10 1 1 A 30 30 SER CB C 30 62.792 62.679 0.113 1
1 275 . 10 1 1 A 30 30 SER C C 30 176.819 176.741 0.078 1
1 276 . 10 1 1 A 31 31 HIS N N 31 122.310 121.004 1.306 1
1 277 . 10 1 1 A 31 31 HIS H H 31 7.533 7.975 -0.442 1
1 278 . 10 1 1 A 31 31 HIS CA C 31 59.375 59.233 0.142 1
1 279 . 10 1 1 A 31 31 HIS HA H 31 4.196 4.342 -0.146 1
1 280 . 10 1 1 A 31 31 HIS CB C 31 28.704 30.455 -1.751 1
1 287 . 10 1 1 A 31 31 HIS C C 31 176.094 176.944 -0.850 1
1 288 . 10 1 1 A 32 32 LEU N N 32 116.904 119.190 -2.286 1
1 289 . 10 1 1 A 32 32 LEU H H 32 8.410 8.712 -0.302 1
1 290 . 10 1 1 A 32 32 LEU CA C 32 58.179 57.987 0.192 1
1 291 . 10 1 1 A 32 32 LEU HA H 32 3.831 3.919 -0.088 1
1 292 . 10 1 1 A 32 32 LEU CB C 32 42.008 41.489 0.519 1
1 305 . 10 1 1 A 32 32 LEU C C 32 178.884 179.552 -0.668 1
1 306 . 10 1 1 A 33 33 ARG N N 33 116.036 117.378 -1.342 1
1 307 . 10 1 1 A 33 33 ARG H H 33 7.068 8.394 -1.326 1
1 308 . 10 1 1 A 33 33 ARG CA C 33 58.384 58.535 -0.151 1
1 309 . 10 1 1 A 33 33 ARG HA H 33 4.131 4.399 -0.268 1
1 310 . 10 1 1 A 33 33 ARG CB C 33 29.968 29.770 0.198 1
1 319 . 10 1 1 A 33 33 ARG C C 33 178.701 177.359 1.342 1
1 320 . 10 1 1 A 34 34 ILE N N 34 116.874 115.937 0.937 1
1 321 . 10 1 1 A 34 34 ILE H H 34 7.908 7.803 0.105 1
1 322 . 10 1 1 A 34 34 ILE CA C 34 63.093 63.187 -0.094 1
1 323 . 10 1 1 A 34 34 ILE HA H 34 3.976 3.855 0.121 1
1 324 . 10 1 1 A 34 34 ILE CB C 34 37.654 37.192 0.462 1
1 337 . 10 1 1 A 34 34 ILE C C 34 177.579 176.643 0.936 1
1 338 . 10 1 1 A 35 35 HIS N N 35 117.636 119.472 -1.836 1
1 339 . 10 1 1 A 35 35 HIS H H 35 7.228 8.161 -0.933 1
1 340 . 10 1 1 A 35 35 HIS CA C 35 55.502 57.060 -1.558 1
1 341 . 10 1 1 A 35 35 HIS HA H 35 4.849 4.586 0.263 1
1 342 . 10 1 1 A 35 35 HIS CB C 35 28.632 31.417 -2.785 1
1 349 . 10 1 1 A 35 35 HIS C C 35 175.806 176.068 -0.262 1
1 350 . 10 1 1 A 36 36 THR N N 36 111.751 109.309 2.442 1
1 351 . 10 1 1 A 36 36 THR H H 36 7.810 7.616 0.194 1
1 352 . 10 1 1 A 36 36 THR CA C 36 62.645 61.040 1.605 1
1 353 . 10 1 1 A 36 36 THR HA H 36 4.344 4.444 -0.100 1
1 354 . 10 1 1 A 36 36 THR CB C 36 69.842 68.565 1.277 1
1 360 . 10 1 1 A 36 36 THR C C 36 175.493 175.805 -0.312 1
1 361 . 10 1 1 A 37 37 GLY N N 37 110.648 111.322 -0.674 1
1 362 . 10 1 1 A 37 37 GLY H H 37 8.229 8.400 -0.171 1
1 363 . 10 1 1 A 37 37 GLY CA C 37 45.270 46.727 -1.457 1
1 364 . 10 1 1 A 37 37 GLY HA2 H 37 4.029 3.808 0.221 1
1 365 . 10 1 1 A 37 37 GLY HA3 H 37 3.944 3.808 0.136 1
1 366 . 10 1 1 A 37 37 GLY C C 37 174.050 174.389 -0.339 1
1 367 . 10 1 1 A 38 38 GLU N N 38 120.571 121.419 -0.848 1
1 368 . 10 1 1 A 38 38 GLU H H 38 8.068 7.985 0.083 1
1 369 . 10 1 1 A 38 38 GLU CA C 38 56.459 57.229 -0.770 1
1 370 . 10 1 1 A 38 38 GLU HA H 38 4.245 4.209 0.036 1
1 371 . 10 1 1 A 38 38 GLU CB C 38 30.556 30.245 0.311 1
1 377 . 10 1 1 A 38 38 GLU C C 38 176.194 176.520 -0.326 1
1 378 . 10 1 1 A 39 39 LYS N N 39 123.762 126.251 -2.489 1
1 379 . 10 1 1 A 39 39 LYS H H 39 8.404 8.536 -0.132 1
1 380 . 10 1 1 A 39 39 LYS CA C 39 54.107 55.010 -0.903 1
1 381 . 10 1 1 A 39 39 LYS HA H 39 4.607 4.409 0.198 1
1 382 . 10 1 1 A 39 39 LYS CB C 39 32.501 31.834 0.667 1
1 394 . 10 1 1 A 39 39 LYS C C 39 174.460 174.849 -0.389 1
1 395 . 10 1 1 A 40 40 PRO CA C 40 63.205 62.907 0.298 1
1 396 . 10 1 1 A 40 40 PRO HA H 40 4.462 4.427 0.035 1
1 397 . 10 1 1 A 40 40 PRO CB C 40 32.180 32.040 0.140 1
1 406 . 10 1 1 A 42 42 GLY CA C 42 44.664 44.879 -0.215 1
1 407 . 10 1 1 A 42 42 GLY HA2 H 42 4.110 4.147 -0.037 1
1 408 . 10 1 1 A 42 42 GLY HA3 H 42 4.157 4.147 0.010 1
1 409 . 10 1 1 A 43 43 PRO CA C 43 63.253 62.647 0.606 1
1 410 . 10 1 1 A 43 43 PRO HA H 43 4.472 4.626 -0.154 1
1 411 . 10 1 1 A 43 43 PRO CB C 43 32.202 32.987 -0.785 1
1 1 . 11 1 1 A 9 9 GLY CA C 9 45.191 45.465 -0.274 1
1 2 . 11 1 1 A 9 9 GLY HA2 H 9 3.910 3.962 -0.052 1
1 3 . 11 1 1 A 9 9 GLY HA3 H 9 3.910 3.965 -0.055 1
1 4 . 11 1 1 A 9 9 GLY C C 9 174.087 172.783 1.304 1
1 5 . 11 1 1 A 10 10 GLU N N 10 120.188 120.419 -0.231 1
1 6 . 11 1 1 A 10 10 GLU H H 10 8.196 9.089 -0.893 1
1 7 . 11 1 1 A 10 10 GLU CA C 10 56.995 54.281 2.714 1
1 8 . 11 1 1 A 10 10 GLU HA H 10 4.167 5.107 -0.940 1
1 9 . 11 1 1 A 10 10 GLU CB C 10 30.393 34.274 -3.881 1
1 15 . 11 1 1 A 10 10 GLU C C 10 176.271 174.236 2.035 1
1 16 . 11 1 1 A 11 11 LYS N N 11 120.905 120.716 0.189 1
1 17 . 11 1 1 A 11 11 LYS H H 11 8.243 8.589 -0.346 1
1 18 . 11 1 1 A 11 11 LYS CA C 11 53.823 53.446 0.377 1
1 19 . 11 1 1 A 11 11 LYS HA H 11 4.538 5.476 -0.938 1
1 20 . 11 1 1 A 11 11 LYS CB C 11 33.303 33.291 0.012 1
1 32 . 11 1 1 A 11 11 LYS C C 11 173.935 175.107 -1.172 1
1 33 . 11 1 1 A 12 12 PRO CA C 12 63.584 64.351 -0.767 1
1 34 . 11 1 1 A 12 12 PRO HA H 12 4.263 4.445 -0.182 1
1 35 . 11 1 1 A 12 12 PRO CB C 12 32.345 31.573 0.772 1
1 44 . 11 1 1 A 12 12 PRO C C 12 176.502 175.991 0.511 1
1 45 . 11 1 1 A 13 13 PHE N N 13 118.504 118.481 0.023 1
1 46 . 11 1 1 A 13 13 PHE H H 13 7.832 7.682 0.150 1
1 47 . 11 1 1 A 13 13 PHE CA C 13 57.518 56.798 0.720 1
1 48 . 11 1 1 A 13 13 PHE HA H 13 4.678 5.205 -0.527 1
1 49 . 11 1 1 A 13 13 PHE CB C 13 39.051 41.584 -2.533 1
1 62 . 11 1 1 A 13 13 PHE C C 13 174.345 174.420 -0.075 1
1 63 . 11 1 1 A 14 14 LYS N N 14 124.932 122.710 2.222 1
1 64 . 11 1 1 A 14 14 LYS H H 14 8.568 8.893 -0.325 1
1 65 . 11 1 1 A 14 14 LYS CA C 14 55.189 55.006 0.183 1
1 66 . 11 1 1 A 14 14 LYS HA H 14 4.997 5.492 -0.495 1
1 67 . 11 1 1 A 14 14 LYS CB C 14 35.460 36.219 -0.759 1
1 79 . 11 1 1 A 14 14 LYS C C 14 175.180 174.860 0.320 1
1 80 . 11 1 1 A 15 15 CYS N N 15 127.244 124.364 2.880 1
1 81 . 11 1 1 A 15 15 CYS H H 15 9.264 9.616 -0.352 1
1 82 . 11 1 1 A 15 15 CYS CA C 15 59.641 59.700 -0.059 1
1 83 . 11 1 1 A 15 15 CYS HA H 15 4.567 4.629 -0.062 1
1 84 . 11 1 1 A 15 15 CYS CB C 15 29.799 28.133 1.666 1
1 87 . 11 1 1 A 15 15 CYS C C 15 177.766 175.711 2.055 1
1 88 . 11 1 1 A 16 16 LYS N N 16 132.596 128.646 3.950 1
1 89 . 11 1 1 A 16 16 LYS H H 16 9.452 9.063 0.389 1
1 90 . 11 1 1 A 16 16 LYS CA C 16 58.651 57.334 1.317 1
1 91 . 11 1 1 A 16 16 LYS HA H 16 4.142 4.418 -0.276 1
1 92 . 11 1 1 A 16 16 LYS CB C 16 32.384 31.866 0.518 1
1 104 . 11 1 1 A 16 16 LYS C C 16 176.701 176.748 -0.047 1
1 105 . 11 1 1 A 17 17 GLU N N 17 120.589 116.946 3.643 1
1 106 . 11 1 1 A 17 17 GLU H H 17 8.832 7.891 0.941 1
1 107 . 11 1 1 A 17 17 GLU CA C 17 57.941 57.216 0.725 1
1 108 . 11 1 1 A 17 17 GLU HA H 17 4.228 4.385 -0.157 1
1 109 . 11 1 1 A 17 17 GLU CB C 17 29.158 30.693 -1.535 1
1 115 . 11 1 1 A 17 17 GLU C C 17 177.504 178.026 -0.522 1
1 116 . 11 1 1 A 18 18 CYS N N 18 115.823 114.800 1.023 1
1 117 . 11 1 1 A 18 18 CYS H H 18 8.345 8.116 0.229 1
1 118 . 11 1 1 A 18 18 CYS CA C 18 58.442 59.893 -1.451 1
1 119 . 11 1 1 A 18 18 CYS HA H 18 5.196 4.753 0.443 1
1 120 . 11 1 1 A 18 18 CYS CB C 18 32.566 29.930 2.636 1
1 123 . 11 1 1 A 18 18 CYS C C 18 176.419 175.552 0.867 1
1 124 . 11 1 1 A 19 19 GLY N N 19 113.312 110.101 3.211 1
1 125 . 11 1 1 A 19 19 GLY H H 19 8.066 8.082 -0.016 1
1 126 . 11 1 1 A 19 19 GLY CA C 19 46.235 45.060 1.175 1
1 127 . 11 1 1 A 19 19 GLY HA2 H 19 3.778 4.067 -0.289 1
1 128 . 11 1 1 A 19 19 GLY HA3 H 19 4.257 4.076 0.181 1
1 129 . 11 1 1 A 19 19 GLY C C 19 173.644 174.517 -0.873 1
1 130 . 11 1 1 A 20 20 LYS N N 20 123.577 122.207 1.370 1
1 131 . 11 1 1 A 20 20 LYS H H 20 7.997 7.512 0.485 1
1 132 . 11 1 1 A 20 20 LYS CA C 20 58.469 55.771 2.698 1
1 133 . 11 1 1 A 20 20 LYS HA H 20 3.908 4.116 -0.208 1
1 134 . 11 1 1 A 20 20 LYS CB C 20 33.466 33.116 0.350 1
1 146 . 11 1 1 A 20 20 LYS C C 20 173.507 175.381 -1.874 1
1 147 . 11 1 1 A 21 21 ALA N N 21 124.329 128.171 -3.842 1
1 148 . 11 1 1 A 21 21 ALA H H 21 7.783 8.341 -0.558 1
1 149 . 11 1 1 A 21 21 ALA CA C 21 50.334 50.025 0.309 1
1 150 . 11 1 1 A 21 21 ALA HA H 21 5.185 5.210 -0.025 1
1 151 . 11 1 1 A 21 21 ALA CB C 21 22.524 21.644 0.880 1
1 155 . 11 1 1 A 21 21 ALA C C 21 176.077 176.015 0.062 1
1 156 . 11 1 1 A 22 22 PHE N N 22 116.711 117.566 -0.855 1
1 157 . 11 1 1 A 22 22 PHE H H 22 8.847 9.270 -0.423 1
1 158 . 11 1 1 A 22 22 PHE CA C 22 57.330 56.951 0.379 1
1 159 . 11 1 1 A 22 22 PHE HA H 22 4.775 4.984 -0.209 1
1 160 . 11 1 1 A 22 22 PHE CB C 22 43.939 43.714 0.225 1
1 173 . 11 1 1 A 22 22 PHE C C 22 175.213 175.446 -0.233 1
1 174 . 11 1 1 A 23 23 ARG N N 23 120.534 119.452 1.082 1
1 175 . 11 1 1 A 23 23 ARG H H 23 9.558 8.659 0.899 1
1 176 . 11 1 1 A 23 23 ARG CA C 23 58.450 56.626 1.824 1
1 177 . 11 1 1 A 23 23 ARG HA H 23 4.579 4.785 -0.206 1
1 178 . 11 1 1 A 23 23 ARG CB C 23 31.693 32.720 -1.027 1
1 187 . 11 1 1 A 23 23 ARG C C 23 176.152 175.957 0.195 1
1 188 . 11 1 1 A 24 24 GLN N N 24 112.058 117.885 -5.827 1
1 189 . 11 1 1 A 24 24 GLN H H 24 7.643 7.634 0.009 1
1 190 . 11 1 1 A 24 24 GLN CA C 24 53.900 54.360 -0.460 1
1 191 . 11 1 1 A 24 24 GLN HA H 24 4.749 4.798 -0.049 1
1 192 . 11 1 1 A 24 24 GLN CB C 24 32.181 31.481 0.700 1
1 201 . 11 1 1 A 24 24 GLN C C 24 176.122 175.845 0.277 1
1 202 . 11 1 1 A 25 25 ASN CA C 25 56.267 54.900 1.367 1
1 203 . 11 1 1 A 25 25 ASN HA H 25 3.435 2.677 0.758 1
1 204 . 11 1 1 A 25 25 ASN CB C 25 37.777 36.931 0.846 1
1 210 . 11 1 1 A 25 25 ASN C C 25 177.746 177.252 0.494 1
1 211 . 11 1 1 A 26 26 ILE N N 26 115.551 122.327 -6.776 1
1 212 . 11 1 1 A 26 26 ILE H H 26 8.132 7.775 0.357 1
1 213 . 11 1 1 A 26 26 ILE CA C 26 63.728 64.095 -0.367 1
1 214 . 11 1 1 A 26 26 ILE HA H 26 3.895 3.719 0.176 1
1 215 . 11 1 1 A 26 26 ILE CB C 26 37.791 37.697 0.094 1
1 228 . 11 1 1 A 26 26 ILE C C 26 177.174 177.730 -0.556 1
1 229 . 11 1 1 A 27 27 HIS N N 27 120.664 120.874 -0.210 1
1 230 . 11 1 1 A 27 27 HIS H H 27 6.592 8.021 -1.429 1
1 231 . 11 1 1 A 27 27 HIS CA C 27 56.928 59.218 -2.290 1
1 232 . 11 1 1 A 27 27 HIS HA H 27 4.515 4.174 0.341 1
1 233 . 11 1 1 A 27 27 HIS CB C 27 31.690 30.230 1.460 1
1 240 . 11 1 1 A 27 27 HIS C C 27 178.354 177.364 0.990 1
1 241 . 11 1 1 A 28 28 LEU N N 28 122.071 120.390 1.681 1
1 242 . 11 1 1 A 28 28 LEU H H 28 6.883 7.326 -0.443 1
1 243 . 11 1 1 A 28 28 LEU CA C 28 57.620 57.272 0.348 1
1 244 . 11 1 1 A 28 28 LEU HA H 28 3.326 2.448 0.878 1
1 245 . 11 1 1 A 28 28 LEU CB C 28 40.160 41.152 -0.992 1
1 258 . 11 1 1 A 28 28 LEU C C 28 177.151 177.945 -0.794 1
1 259 . 11 1 1 A 29 29 ALA N N 29 120.705 120.788 -0.083 1
1 260 . 11 1 1 A 29 29 ALA H H 29 8.279 7.729 0.550 1
1 261 . 11 1 1 A 29 29 ALA CA C 29 55.529 54.128 1.401 1
1 262 . 11 1 1 A 29 29 ALA HA H 29 3.938 4.115 -0.177 1
1 263 . 11 1 1 A 29 29 ALA CB C 29 17.758 18.299 -0.541 1
1 267 . 11 1 1 A 29 29 ALA C C 29 180.633 178.555 2.078 1
1 268 . 11 1 1 A 30 30 SER N N 30 111.186 112.813 -1.627 1
1 269 . 11 1 1 A 30 30 SER H H 30 7.532 7.710 -0.178 1
1 270 . 11 1 1 A 30 30 SER CA C 30 61.154 59.938 1.216 1
1 271 . 11 1 1 A 30 30 SER HA H 30 4.145 4.347 -0.202 1
1 272 . 11 1 1 A 30 30 SER CB C 30 62.792 63.060 -0.268 1
1 275 . 11 1 1 A 30 30 SER C C 30 176.819 176.561 0.258 1
1 276 . 11 1 1 A 31 31 HIS N N 31 122.310 121.221 1.089 1
1 277 . 11 1 1 A 31 31 HIS H H 31 7.533 7.820 -0.287 1
1 278 . 11 1 1 A 31 31 HIS CA C 31 59.375 59.435 -0.060 1
1 279 . 11 1 1 A 31 31 HIS HA H 31 4.196 4.322 -0.126 1
1 280 . 11 1 1 A 31 31 HIS CB C 31 28.704 30.264 -1.560 1
1 287 . 11 1 1 A 31 31 HIS C C 31 176.094 177.249 -1.155 1
1 288 . 11 1 1 A 32 32 LEU N N 32 116.904 119.661 -2.757 1
1 289 . 11 1 1 A 32 32 LEU H H 32 8.410 8.474 -0.064 1
1 290 . 11 1 1 A 32 32 LEU CA C 32 58.179 58.073 0.106 1
1 291 . 11 1 1 A 32 32 LEU HA H 32 3.831 4.070 -0.239 1
1 292 . 11 1 1 A 32 32 LEU CB C 32 42.008 41.550 0.458 1
1 305 . 11 1 1 A 32 32 LEU C C 32 178.884 179.092 -0.208 1
1 306 . 11 1 1 A 33 33 ARG N N 33 116.036 117.299 -1.263 1
1 307 . 11 1 1 A 33 33 ARG H H 33 7.068 8.329 -1.261 1
1 308 . 11 1 1 A 33 33 ARG CA C 33 58.384 58.726 -0.342 1
1 309 . 11 1 1 A 33 33 ARG HA H 33 4.131 4.082 0.049 1
1 310 . 11 1 1 A 33 33 ARG CB C 33 29.968 30.160 -0.192 1
1 319 . 11 1 1 A 33 33 ARG C C 33 178.701 177.859 0.842 1
1 320 . 11 1 1 A 34 34 ILE N N 34 116.874 116.167 0.707 1
1 321 . 11 1 1 A 34 34 ILE H H 34 7.908 8.074 -0.166 1
1 322 . 11 1 1 A 34 34 ILE CA C 34 63.093 63.674 -0.581 1
1 323 . 11 1 1 A 34 34 ILE HA H 34 3.976 3.788 0.188 1
1 324 . 11 1 1 A 34 34 ILE CB C 34 37.654 37.345 0.309 1
1 337 . 11 1 1 A 34 34 ILE C C 34 177.579 176.747 0.832 1
1 338 . 11 1 1 A 35 35 HIS N N 35 117.636 120.219 -2.583 1
1 339 . 11 1 1 A 35 35 HIS H H 35 7.228 7.948 -0.720 1
1 340 . 11 1 1 A 35 35 HIS CA C 35 55.502 56.493 -0.991 1
1 341 . 11 1 1 A 35 35 HIS HA H 35 4.849 4.599 0.250 1
1 342 . 11 1 1 A 35 35 HIS CB C 35 28.632 29.115 -0.483 1
1 349 . 11 1 1 A 35 35 HIS C C 35 175.806 175.891 -0.085 1
1 350 . 11 1 1 A 36 36 THR N N 36 111.751 115.063 -3.312 1
1 351 . 11 1 1 A 36 36 THR H H 36 7.810 8.144 -0.334 1
1 352 . 11 1 1 A 36 36 THR CA C 36 62.645 65.251 -2.606 1
1 353 . 11 1 1 A 36 36 THR HA H 36 4.344 4.052 0.292 1
1 354 . 11 1 1 A 36 36 THR CB C 36 69.842 68.986 0.856 1
1 360 . 11 1 1 A 36 36 THR C C 36 175.493 176.969 -1.476 1
1 361 . 11 1 1 A 37 37 GLY N N 37 110.648 107.236 3.412 1
1 362 . 11 1 1 A 37 37 GLY H H 37 8.229 7.846 0.383 1
1 363 . 11 1 1 A 37 37 GLY CA C 37 45.270 46.745 -1.475 1
1 364 . 11 1 1 A 37 37 GLY HA2 H 37 4.029 3.863 0.166 1
1 365 . 11 1 1 A 37 37 GLY HA3 H 37 3.944 3.873 0.071 1
1 366 . 11 1 1 A 37 37 GLY C C 37 174.050 174.536 -0.486 1
1 367 . 11 1 1 A 38 38 GLU N N 38 120.571 117.108 3.463 1
1 368 . 11 1 1 A 38 38 GLU H H 38 8.068 7.683 0.385 1
1 369 . 11 1 1 A 38 38 GLU CA C 38 56.459 56.503 -0.044 1
1 370 . 11 1 1 A 38 38 GLU HA H 38 4.245 4.328 -0.083 1
1 371 . 11 1 1 A 38 38 GLU CB C 38 30.556 29.880 0.676 1
1 377 . 11 1 1 A 38 38 GLU C C 38 176.194 176.359 -0.165 1
1 378 . 11 1 1 A 39 39 LYS N N 39 123.762 123.580 0.182 1
1 379 . 11 1 1 A 39 39 LYS H H 39 8.404 8.469 -0.065 1
1 380 . 11 1 1 A 39 39 LYS CA C 39 54.107 55.157 -1.050 1
1 381 . 11 1 1 A 39 39 LYS HA H 39 4.607 4.350 0.257 1
1 382 . 11 1 1 A 39 39 LYS CB C 39 32.501 31.674 0.827 1
1 394 . 11 1 1 A 39 39 LYS C C 39 174.460 174.788 -0.328 1
1 395 . 11 1 1 A 40 40 PRO CA C 40 63.205 62.879 0.326 1
1 396 . 11 1 1 A 40 40 PRO HA H 40 4.462 4.825 -0.363 1
1 397 . 11 1 1 A 40 40 PRO CB C 40 32.180 31.682 0.498 1
1 406 . 11 1 1 A 42 42 GLY CA C 42 44.664 45.172 -0.508 1
1 407 . 11 1 1 A 42 42 GLY HA2 H 42 4.110 4.325 -0.215 1
1 408 . 11 1 1 A 42 42 GLY HA3 H 42 4.157 4.340 -0.183 1
1 409 . 11 1 1 A 43 43 PRO CA C 43 63.253 62.421 0.832 1
1 410 . 11 1 1 A 43 43 PRO HA H 43 4.472 4.607 -0.135 1
1 411 . 11 1 1 A 43 43 PRO CB C 43 32.202 33.050 -0.848 1
1 1 . 12 1 1 A 9 9 GLY CA C 9 45.191 45.753 -0.562 1
1 2 . 12 1 1 A 9 9 GLY HA2 H 9 3.910 4.028 -0.118 1
1 3 . 12 1 1 A 9 9 GLY HA3 H 9 3.910 4.039 -0.129 1
1 4 . 12 1 1 A 9 9 GLY C C 9 174.087 174.176 -0.089 1
1 5 . 12 1 1 A 10 10 GLU N N 10 120.188 120.824 -0.636 1
1 6 . 12 1 1 A 10 10 GLU H H 10 8.196 8.420 -0.224 1
1 7 . 12 1 1 A 10 10 GLU CA C 10 56.995 56.274 0.721 1
1 8 . 12 1 1 A 10 10 GLU HA H 10 4.167 4.572 -0.405 1
1 9 . 12 1 1 A 10 10 GLU CB C 10 30.393 30.018 0.375 1
1 15 . 12 1 1 A 10 10 GLU C C 10 176.271 176.438 -0.167 1
1 16 . 12 1 1 A 11 11 LYS N N 11 120.905 123.998 -3.093 1
1 17 . 12 1 1 A 11 11 LYS H H 11 8.243 8.398 -0.155 1
1 18 . 12 1 1 A 11 11 LYS CA C 11 53.823 52.766 1.057 1
1 19 . 12 1 1 A 11 11 LYS HA H 11 4.538 4.984 -0.446 1
1 20 . 12 1 1 A 11 11 LYS CB C 11 33.303 35.282 -1.979 1
1 32 . 12 1 1 A 11 11 LYS C C 11 173.935 175.733 -1.798 1
1 33 . 12 1 1 A 12 12 PRO CA C 12 63.584 64.438 -0.854 1
1 34 . 12 1 1 A 12 12 PRO HA H 12 4.263 4.424 -0.161 1
1 35 . 12 1 1 A 12 12 PRO CB C 12 32.345 31.853 0.492 1
1 44 . 12 1 1 A 12 12 PRO C C 12 176.502 176.173 0.329 1
1 45 . 12 1 1 A 13 13 PHE N N 13 118.504 118.382 0.122 1
1 46 . 12 1 1 A 13 13 PHE H H 13 7.832 7.263 0.569 1
1 47 . 12 1 1 A 13 13 PHE CA C 13 57.518 57.177 0.341 1
1 48 . 12 1 1 A 13 13 PHE HA H 13 4.678 5.061 -0.383 1
1 49 . 12 1 1 A 13 13 PHE CB C 13 39.051 41.075 -2.024 1
1 62 . 12 1 1 A 13 13 PHE C C 13 174.345 174.474 -0.129 1
1 63 . 12 1 1 A 14 14 LYS N N 14 124.932 122.779 2.153 1
1 64 . 12 1 1 A 14 14 LYS H H 14 8.568 8.999 -0.431 1
1 65 . 12 1 1 A 14 14 LYS CA C 14 55.189 54.568 0.621 1
1 66 . 12 1 1 A 14 14 LYS HA H 14 4.997 5.482 -0.485 1
1 67 . 12 1 1 A 14 14 LYS CB C 14 35.460 36.242 -0.782 1
1 79 . 12 1 1 A 14 14 LYS C C 14 175.180 174.898 0.282 1
1 80 . 12 1 1 A 15 15 CYS N N 15 127.244 124.340 2.904 1
1 81 . 12 1 1 A 15 15 CYS H H 15 9.264 9.480 -0.216 1
1 82 . 12 1 1 A 15 15 CYS CA C 15 59.641 59.348 0.293 1
1 83 . 12 1 1 A 15 15 CYS HA H 15 4.567 4.665 -0.098 1
1 84 . 12 1 1 A 15 15 CYS CB C 15 29.799 28.676 1.123 1
1 87 . 12 1 1 A 15 15 CYS C C 15 177.766 176.752 1.014 1
1 88 . 12 1 1 A 16 16 LYS N N 16 132.596 124.497 8.099 1
1 89 . 12 1 1 A 16 16 LYS H H 16 9.452 8.688 0.764 1
1 90 . 12 1 1 A 16 16 LYS CA C 16 58.651 58.481 0.170 1
1 91 . 12 1 1 A 16 16 LYS HA H 16 4.142 4.138 0.004 1
1 92 . 12 1 1 A 16 16 LYS CB C 16 32.384 32.047 0.337 1
1 104 . 12 1 1 A 16 16 LYS C C 16 176.701 177.786 -1.085 1
1 105 . 12 1 1 A 17 17 GLU N N 17 120.589 118.002 2.587 1
1 106 . 12 1 1 A 17 17 GLU H H 17 8.832 7.497 1.335 1
1 107 . 12 1 1 A 17 17 GLU CA C 17 57.941 58.762 -0.821 1
1 108 . 12 1 1 A 17 17 GLU HA H 17 4.228 4.046 0.182 1
1 109 . 12 1 1 A 17 17 GLU CB C 17 29.158 29.526 -0.368 1
1 115 . 12 1 1 A 17 17 GLU C C 17 177.504 178.294 -0.790 1
1 116 . 12 1 1 A 18 18 CYS N N 18 115.823 114.462 1.361 1
1 117 . 12 1 1 A 18 18 CYS H H 18 8.345 7.827 0.518 1
1 118 . 12 1 1 A 18 18 CYS CA C 18 58.442 59.679 -1.237 1
1 119 . 12 1 1 A 18 18 CYS HA H 18 5.196 4.610 0.586 1
1 120 . 12 1 1 A 18 18 CYS CB C 18 32.566 29.570 2.996 1
1 123 . 12 1 1 A 18 18 CYS C C 18 176.419 175.381 1.038 1
1 124 . 12 1 1 A 19 19 GLY N N 19 113.312 109.859 3.453 1
1 125 . 12 1 1 A 19 19 GLY H H 19 8.066 7.968 0.098 1
1 126 . 12 1 1 A 19 19 GLY CA C 19 46.235 45.006 1.229 1
1 127 . 12 1 1 A 19 19 GLY HA2 H 19 3.778 4.071 -0.293 1
1 128 . 12 1 1 A 19 19 GLY HA3 H 19 4.257 4.087 0.170 1
1 129 . 12 1 1 A 19 19 GLY C C 19 173.644 174.525 -0.881 1
1 130 . 12 1 1 A 20 20 LYS N N 20 123.577 122.526 1.051 1
1 131 . 12 1 1 A 20 20 LYS H H 20 7.997 7.536 0.461 1
1 132 . 12 1 1 A 20 20 LYS CA C 20 58.469 56.361 2.108 1
1 133 . 12 1 1 A 20 20 LYS HA H 20 3.908 4.081 -0.173 1
1 134 . 12 1 1 A 20 20 LYS CB C 20 33.466 33.061 0.405 1
1 146 . 12 1 1 A 20 20 LYS C C 20 173.507 175.084 -1.577 1
1 147 . 12 1 1 A 21 21 ALA N N 21 124.329 125.539 -1.210 1
1 148 . 12 1 1 A 21 21 ALA H H 21 7.783 7.924 -0.141 1
1 149 . 12 1 1 A 21 21 ALA CA C 21 50.334 49.573 0.761 1
1 150 . 12 1 1 A 21 21 ALA HA H 21 5.185 5.384 -0.199 1
1 151 . 12 1 1 A 21 21 ALA CB C 21 22.524 22.707 -0.183 1
1 155 . 12 1 1 A 21 21 ALA C C 21 176.077 175.461 0.616 1
1 156 . 12 1 1 A 22 22 PHE N N 22 116.711 116.852 -0.141 1
1 157 . 12 1 1 A 22 22 PHE H H 22 8.847 8.798 0.049 1
1 158 . 12 1 1 A 22 22 PHE CA C 22 57.330 56.578 0.752 1
1 159 . 12 1 1 A 22 22 PHE HA H 22 4.775 5.008 -0.233 1
1 160 . 12 1 1 A 22 22 PHE CB C 22 43.939 43.752 0.187 1
1 173 . 12 1 1 A 22 22 PHE C C 22 175.213 175.843 -0.630 1
1 174 . 12 1 1 A 23 23 ARG N N 23 120.534 120.962 -0.428 1
1 175 . 12 1 1 A 23 23 ARG H H 23 9.558 9.235 0.323 1
1 176 . 12 1 1 A 23 23 ARG CA C 23 58.450 57.382 1.068 1
1 177 . 12 1 1 A 23 23 ARG HA H 23 4.579 4.657 -0.078 1
1 178 . 12 1 1 A 23 23 ARG CB C 23 31.693 31.836 -0.143 1
1 187 . 12 1 1 A 23 23 ARG C C 23 176.152 176.388 -0.236 1
1 188 . 12 1 1 A 24 24 GLN N N 24 112.058 117.697 -5.639 1
1 189 . 12 1 1 A 24 24 GLN H H 24 7.643 7.952 -0.309 1
1 190 . 12 1 1 A 24 24 GLN CA C 24 53.900 54.350 -0.450 1
1 191 . 12 1 1 A 24 24 GLN HA H 24 4.749 4.550 0.199 1
1 192 . 12 1 1 A 24 24 GLN CB C 24 32.181 31.211 0.970 1
1 201 . 12 1 1 A 24 24 GLN C C 24 176.122 175.714 0.408 1
1 202 . 12 1 1 A 25 25 ASN CA C 25 56.267 55.120 1.147 1
1 203 . 12 1 1 A 25 25 ASN HA H 25 3.435 3.361 0.074 1
1 204 . 12 1 1 A 25 25 ASN CB C 25 37.777 37.204 0.573 1
1 210 . 12 1 1 A 25 25 ASN C C 25 177.746 177.464 0.282 1
1 211 . 12 1 1 A 26 26 ILE N N 26 115.551 122.410 -6.859 1
1 212 . 12 1 1 A 26 26 ILE H H 26 8.132 7.728 0.404 1
1 213 . 12 1 1 A 26 26 ILE CA C 26 63.728 63.576 0.152 1
1 214 . 12 1 1 A 26 26 ILE HA H 26 3.895 3.721 0.174 1
1 215 . 12 1 1 A 26 26 ILE CB C 26 37.791 37.747 0.044 1
1 228 . 12 1 1 A 26 26 ILE C C 26 177.174 177.509 -0.335 1
1 229 . 12 1 1 A 27 27 HIS N N 27 120.664 120.856 -0.192 1
1 230 . 12 1 1 A 27 27 HIS H H 27 6.592 7.665 -1.073 1
1 231 . 12 1 1 A 27 27 HIS CA C 27 56.928 59.922 -2.994 1
1 232 . 12 1 1 A 27 27 HIS HA H 27 4.515 4.220 0.295 1
1 233 . 12 1 1 A 27 27 HIS CB C 27 31.690 29.855 1.835 1
1 240 . 12 1 1 A 27 27 HIS C C 27 178.354 177.282 1.072 1
1 241 . 12 1 1 A 28 28 LEU N N 28 122.071 120.520 1.551 1
1 242 . 12 1 1 A 28 28 LEU H H 28 6.883 7.463 -0.580 1
1 243 . 12 1 1 A 28 28 LEU CA C 28 57.620 57.305 0.315 1
1 244 . 12 1 1 A 28 28 LEU HA H 28 3.326 2.145 1.181 1
1 245 . 12 1 1 A 28 28 LEU CB C 28 40.160 41.018 -0.858 1
1 258 . 12 1 1 A 28 28 LEU C C 28 177.151 177.822 -0.671 1
1 259 . 12 1 1 A 29 29 ALA N N 29 120.705 120.921 -0.216 1
1 260 . 12 1 1 A 29 29 ALA H H 29 8.279 7.971 0.308 1
1 261 . 12 1 1 A 29 29 ALA CA C 29 55.529 55.008 0.521 1
1 262 . 12 1 1 A 29 29 ALA HA H 29 3.938 4.021 -0.083 1
1 263 . 12 1 1 A 29 29 ALA CB C 29 17.758 17.884 -0.126 1
1 267 . 12 1 1 A 29 29 ALA C C 29 180.633 179.819 0.814 1
1 268 . 12 1 1 A 30 30 SER N N 30 111.186 113.759 -2.573 1
1 269 . 12 1 1 A 30 30 SER H H 30 7.532 7.687 -0.155 1
1 270 . 12 1 1 A 30 30 SER CA C 30 61.154 60.862 0.292 1
1 271 . 12 1 1 A 30 30 SER HA H 30 4.145 4.183 -0.038 1
1 272 . 12 1 1 A 30 30 SER CB C 30 62.792 63.073 -0.281 1
1 275 . 12 1 1 A 30 30 SER C C 30 176.819 176.666 0.153 1
1 276 . 12 1 1 A 31 31 HIS N N 31 122.310 121.349 0.961 1
1 277 . 12 1 1 A 31 31 HIS H H 31 7.533 7.677 -0.144 1
1 278 . 12 1 1 A 31 31 HIS CA C 31 59.375 59.747 -0.372 1
1 279 . 12 1 1 A 31 31 HIS HA H 31 4.196 4.352 -0.156 1
1 280 . 12 1 1 A 31 31 HIS CB C 31 28.704 30.038 -1.334 1
1 287 . 12 1 1 A 31 31 HIS C C 31 176.094 177.153 -1.059 1
1 288 . 12 1 1 A 32 32 LEU N N 32 116.904 118.826 -1.922 1
1 289 . 12 1 1 A 32 32 LEU H H 32 8.410 8.598 -0.188 1
1 290 . 12 1 1 A 32 32 LEU CA C 32 58.179 57.497 0.682 1
1 291 . 12 1 1 A 32 32 LEU HA H 32 3.831 3.870 -0.039 1
1 292 . 12 1 1 A 32 32 LEU CB C 32 42.008 41.483 0.525 1
1 305 . 12 1 1 A 32 32 LEU C C 32 178.884 179.400 -0.516 1
1 306 . 12 1 1 A 33 33 ARG N N 33 116.036 119.255 -3.219 1
1 307 . 12 1 1 A 33 33 ARG H H 33 7.068 8.431 -1.363 1
1 308 . 12 1 1 A 33 33 ARG CA C 33 58.384 59.472 -1.088 1
1 309 . 12 1 1 A 33 33 ARG HA H 33 4.131 4.012 0.119 1
1 310 . 12 1 1 A 33 33 ARG CB C 33 29.968 29.947 0.021 1
1 319 . 12 1 1 A 33 33 ARG C C 33 178.701 179.023 -0.322 1
1 320 . 12 1 1 A 34 34 ILE N N 34 116.874 117.069 -0.195 1
1 321 . 12 1 1 A 34 34 ILE H H 34 7.908 7.708 0.200 1
1 322 . 12 1 1 A 34 34 ILE CA C 34 63.093 63.465 -0.372 1
1 323 . 12 1 1 A 34 34 ILE HA H 34 3.976 3.740 0.236 1
1 324 . 12 1 1 A 34 34 ILE CB C 34 37.654 37.251 0.403 1
1 337 . 12 1 1 A 34 34 ILE C C 34 177.579 177.244 0.335 1
1 338 . 12 1 1 A 35 35 HIS N N 35 117.636 119.398 -1.762 1
1 339 . 12 1 1 A 35 35 HIS H H 35 7.228 7.521 -0.293 1
1 340 . 12 1 1 A 35 35 HIS CA C 35 55.502 57.554 -2.052 1
1 341 . 12 1 1 A 35 35 HIS HA H 35 4.849 4.461 0.388 1
1 342 . 12 1 1 A 35 35 HIS CB C 35 28.632 31.211 -2.579 1
1 349 . 12 1 1 A 35 35 HIS C C 35 175.806 175.271 0.535 1
1 350 . 12 1 1 A 36 36 THR N N 36 111.751 113.659 -1.908 1
1 351 . 12 1 1 A 36 36 THR H H 36 7.810 7.898 -0.088 1
1 352 . 12 1 1 A 36 36 THR CA C 36 62.645 60.992 1.653 1
1 353 . 12 1 1 A 36 36 THR HA H 36 4.344 4.702 -0.358 1
1 354 . 12 1 1 A 36 36 THR CB C 36 69.842 70.969 -1.127 1
1 360 . 12 1 1 A 36 36 THR C C 36 175.493 173.266 2.227 1
1 361 . 12 1 1 A 37 37 GLY N N 37 110.648 114.123 -3.475 1
1 362 . 12 1 1 A 37 37 GLY H H 37 8.229 8.475 -0.246 1
1 363 . 12 1 1 A 37 37 GLY CA C 37 45.270 44.967 0.303 1
1 364 . 12 1 1 A 37 37 GLY HA2 H 37 4.029 4.205 -0.176 1
1 365 . 12 1 1 A 37 37 GLY HA3 H 37 3.944 4.209 -0.265 1
1 366 . 12 1 1 A 37 37 GLY C C 37 174.050 173.140 0.910 1
1 367 . 12 1 1 A 38 38 GLU N N 38 120.571 118.159 2.412 1
1 368 . 12 1 1 A 38 38 GLU H H 38 8.068 8.740 -0.672 1
1 369 . 12 1 1 A 38 38 GLU CA C 38 56.459 57.760 -1.301 1
1 370 . 12 1 1 A 38 38 GLU HA H 38 4.245 3.836 0.409 1
1 371 . 12 1 1 A 38 38 GLU CB C 38 30.556 27.955 2.601 1
1 377 . 12 1 1 A 38 38 GLU C C 38 176.194 175.328 0.866 1
1 378 . 12 1 1 A 39 39 LYS N N 39 123.762 119.172 4.590 1
1 379 . 12 1 1 A 39 39 LYS H H 39 8.404 7.866 0.538 1
1 380 . 12 1 1 A 39 39 LYS CA C 39 54.107 53.478 0.629 1
1 381 . 12 1 1 A 39 39 LYS HA H 39 4.607 4.608 -0.001 1
1 382 . 12 1 1 A 39 39 LYS CB C 39 32.501 32.435 0.066 1
1 394 . 12 1 1 A 39 39 LYS C C 39 174.460 174.392 0.068 1
1 395 . 12 1 1 A 40 40 PRO CA C 40 63.205 62.527 0.678 1
1 396 . 12 1 1 A 40 40 PRO HA H 40 4.462 4.514 -0.052 1
1 397 . 12 1 1 A 40 40 PRO CB C 40 32.180 32.665 -0.485 1
1 406 . 12 1 1 A 42 42 GLY CA C 42 44.664 47.053 -2.389 1
1 407 . 12 1 1 A 42 42 GLY HA2 H 42 4.110 3.888 0.222 1
1 408 . 12 1 1 A 42 42 GLY HA3 H 42 4.157 3.888 0.269 1
1 409 . 12 1 1 A 43 43 PRO CA C 43 63.253 65.194 -1.941 1
1 410 . 12 1 1 A 43 43 PRO HA H 43 4.472 4.281 0.191 1
1 411 . 12 1 1 A 43 43 PRO CB C 43 32.202 31.712 0.490 1
1 1 . 13 1 1 A 9 9 GLY CA C 9 45.191 45.845 -0.654 1
1 2 . 13 1 1 A 9 9 GLY HA2 H 9 3.910 4.019 -0.109 1
1 3 . 13 1 1 A 9 9 GLY HA3 H 9 3.910 4.021 -0.111 1
1 4 . 13 1 1 A 9 9 GLY C C 9 174.087 174.480 -0.393 1
1 5 . 13 1 1 A 10 10 GLU N N 10 120.188 124.458 -4.270 1
1 6 . 13 1 1 A 10 10 GLU H H 10 8.196 8.851 -0.655 1
1 7 . 13 1 1 A 10 10 GLU CA C 10 56.995 58.260 -1.265 1
1 8 . 13 1 1 A 10 10 GLU HA H 10 4.167 4.464 -0.297 1
1 9 . 13 1 1 A 10 10 GLU CB C 10 30.393 30.892 -0.499 1
1 15 . 13 1 1 A 10 10 GLU C C 10 176.271 176.660 -0.389 1
1 16 . 13 1 1 A 11 11 LYS N N 11 120.905 119.000 1.905 1
1 17 . 13 1 1 A 11 11 LYS H H 11 8.243 7.896 0.347 1
1 18 . 13 1 1 A 11 11 LYS CA C 11 53.823 52.722 1.101 1
1 19 . 13 1 1 A 11 11 LYS HA H 11 4.538 4.745 -0.207 1
1 20 . 13 1 1 A 11 11 LYS CB C 11 33.303 34.038 -0.735 1
1 32 . 13 1 1 A 11 11 LYS C C 11 173.935 175.778 -1.843 1
1 33 . 13 1 1 A 12 12 PRO CA C 12 63.584 64.583 -0.999 1
1 34 . 13 1 1 A 12 12 PRO HA H 12 4.263 4.290 -0.027 1
1 35 . 13 1 1 A 12 12 PRO CB C 12 32.345 31.895 0.450 1
1 44 . 13 1 1 A 12 12 PRO C C 12 176.502 176.235 0.267 1
1 45 . 13 1 1 A 13 13 PHE N N 13 118.504 118.283 0.221 1
1 46 . 13 1 1 A 13 13 PHE H H 13 7.832 7.343 0.489 1
1 47 . 13 1 1 A 13 13 PHE CA C 13 57.518 57.077 0.441 1
1 48 . 13 1 1 A 13 13 PHE HA H 13 4.678 5.136 -0.458 1
1 49 . 13 1 1 A 13 13 PHE CB C 13 39.051 41.123 -2.072 1
1 62 . 13 1 1 A 13 13 PHE C C 13 174.345 174.687 -0.342 1
1 63 . 13 1 1 A 14 14 LYS N N 14 124.932 122.876 2.056 1
1 64 . 13 1 1 A 14 14 LYS H H 14 8.568 8.975 -0.407 1
1 65 . 13 1 1 A 14 14 LYS CA C 14 55.189 54.977 0.212 1
1 66 . 13 1 1 A 14 14 LYS HA H 14 4.997 5.420 -0.423 1
1 67 . 13 1 1 A 14 14 LYS CB C 14 35.460 36.388 -0.928 1
1 79 . 13 1 1 A 14 14 LYS C C 14 175.180 174.460 0.720 1
1 80 . 13 1 1 A 15 15 CYS N N 15 127.244 124.056 3.188 1
1 81 . 13 1 1 A 15 15 CYS H H 15 9.264 9.417 -0.153 1
1 82 . 13 1 1 A 15 15 CYS CA C 15 59.641 59.233 0.408 1
1 83 . 13 1 1 A 15 15 CYS HA H 15 4.567 4.632 -0.065 1
1 84 . 13 1 1 A 15 15 CYS CB C 15 29.799 28.634 1.165 1
1 87 . 13 1 1 A 15 15 CYS C C 15 177.766 176.153 1.613 1
1 88 . 13 1 1 A 16 16 LYS N N 16 132.596 127.508 5.088 1
1 89 . 13 1 1 A 16 16 LYS H H 16 9.452 9.017 0.435 1
1 90 . 13 1 1 A 16 16 LYS CA C 16 58.651 58.489 0.162 1
1 91 . 13 1 1 A 16 16 LYS HA H 16 4.142 4.285 -0.143 1
1 92 . 13 1 1 A 16 16 LYS CB C 16 32.384 32.523 -0.139 1
1 104 . 13 1 1 A 16 16 LYS C C 16 176.701 178.252 -1.551 1
1 105 . 13 1 1 A 17 17 GLU N N 17 120.589 117.973 2.616 1
1 106 . 13 1 1 A 17 17 GLU H H 17 8.832 7.533 1.299 1
1 107 . 13 1 1 A 17 17 GLU CA C 17 57.941 58.700 -0.759 1
1 108 . 13 1 1 A 17 17 GLU HA H 17 4.228 4.130 0.098 1
1 109 . 13 1 1 A 17 17 GLU CB C 17 29.158 29.889 -0.731 1
1 115 . 13 1 1 A 17 17 GLU C C 17 177.504 178.213 -0.709 1
1 116 . 13 1 1 A 18 18 CYS N N 18 115.823 114.726 1.097 1
1 117 . 13 1 1 A 18 18 CYS H H 18 8.345 7.814 0.531 1
1 118 . 13 1 1 A 18 18 CYS CA C 18 58.442 59.775 -1.333 1
1 119 . 13 1 1 A 18 18 CYS HA H 18 5.196 4.542 0.654 1
1 120 . 13 1 1 A 18 18 CYS CB C 18 32.566 29.241 3.325 1
1 123 . 13 1 1 A 18 18 CYS C C 18 176.419 175.165 1.254 1
1 124 . 13 1 1 A 19 19 GLY N N 19 113.312 109.863 3.449 1
1 125 . 13 1 1 A 19 19 GLY H H 19 8.066 7.895 0.171 1
1 126 . 13 1 1 A 19 19 GLY CA C 19 46.235 44.941 1.294 1
1 127 . 13 1 1 A 19 19 GLY HA2 H 19 3.778 4.033 -0.255 1
1 128 . 13 1 1 A 19 19 GLY HA3 H 19 4.257 4.046 0.211 1
1 129 . 13 1 1 A 19 19 GLY C C 19 173.644 174.500 -0.856 1
1 130 . 13 1 1 A 20 20 LYS N N 20 123.577 122.515 1.062 1
1 131 . 13 1 1 A 20 20 LYS H H 20 7.997 7.503 0.494 1
1 132 . 13 1 1 A 20 20 LYS CA C 20 58.469 56.310 2.159 1
1 133 . 13 1 1 A 20 20 LYS HA H 20 3.908 4.001 -0.093 1
1 134 . 13 1 1 A 20 20 LYS CB C 20 33.466 32.805 0.661 1
1 146 . 13 1 1 A 20 20 LYS C C 20 173.507 175.699 -2.192 1
1 147 . 13 1 1 A 21 21 ALA N N 21 124.329 127.285 -2.956 1
1 148 . 13 1 1 A 21 21 ALA H H 21 7.783 8.156 -0.373 1
1 149 . 13 1 1 A 21 21 ALA CA C 21 50.334 50.529 -0.195 1
1 150 . 13 1 1 A 21 21 ALA HA H 21 5.185 4.984 0.201 1
1 151 . 13 1 1 A 21 21 ALA CB C 21 22.524 21.125 1.399 1
1 155 . 13 1 1 A 21 21 ALA C C 21 176.077 176.110 -0.033 1
1 156 . 13 1 1 A 22 22 PHE N N 22 116.711 117.144 -0.433 1
1 157 . 13 1 1 A 22 22 PHE H H 22 8.847 9.057 -0.210 1
1 158 . 13 1 1 A 22 22 PHE CA C 22 57.330 56.583 0.747 1
1 159 . 13 1 1 A 22 22 PHE HA H 22 4.775 5.037 -0.262 1
1 160 . 13 1 1 A 22 22 PHE CB C 22 43.939 43.748 0.191 1
1 173 . 13 1 1 A 22 22 PHE C C 22 175.213 175.672 -0.459 1
1 174 . 13 1 1 A 23 23 ARG N N 23 120.534 120.918 -0.384 1
1 175 . 13 1 1 A 23 23 ARG H H 23 9.558 9.119 0.439 1
1 176 . 13 1 1 A 23 23 ARG CA C 23 58.450 57.046 1.404 1
1 177 . 13 1 1 A 23 23 ARG HA H 23 4.579 4.588 -0.009 1
1 178 . 13 1 1 A 23 23 ARG CB C 23 31.693 31.733 -0.040 1
1 187 . 13 1 1 A 23 23 ARG C C 23 176.152 176.365 -0.213 1
1 188 . 13 1 1 A 24 24 GLN N N 24 112.058 117.188 -5.130 1
1 189 . 13 1 1 A 24 24 GLN H H 24 7.643 7.654 -0.011 1
1 190 . 13 1 1 A 24 24 GLN CA C 24 53.900 54.059 -0.159 1
1 191 . 13 1 1 A 24 24 GLN HA H 24 4.749 4.573 0.176 1
1 192 . 13 1 1 A 24 24 GLN CB C 24 32.181 31.104 1.077 1
1 201 . 13 1 1 A 24 24 GLN C C 24 176.122 175.707 0.415 1
1 202 . 13 1 1 A 25 25 ASN CA C 25 56.267 55.344 0.923 1
1 203 . 13 1 1 A 25 25 ASN HA H 25 3.435 3.193 0.242 1
1 204 . 13 1 1 A 25 25 ASN CB C 25 37.777 36.827 0.950 1
1 210 . 13 1 1 A 25 25 ASN C C 25 177.746 177.365 0.381 1
1 211 . 13 1 1 A 26 26 ILE N N 26 115.551 120.551 -5.000 1
1 212 . 13 1 1 A 26 26 ILE H H 26 8.132 7.899 0.233 1
1 213 . 13 1 1 A 26 26 ILE CA C 26 63.728 63.256 0.472 1
1 214 . 13 1 1 A 26 26 ILE HA H 26 3.895 3.811 0.084 1
1 215 . 13 1 1 A 26 26 ILE CB C 26 37.791 37.858 -0.067 1
1 228 . 13 1 1 A 26 26 ILE C C 26 177.174 177.411 -0.237 1
1 229 . 13 1 1 A 27 27 HIS N N 27 120.664 120.039 0.625 1
1 230 . 13 1 1 A 27 27 HIS H H 27 6.592 7.572 -0.980 1
1 231 . 13 1 1 A 27 27 HIS CA C 27 56.928 60.094 -3.166 1
1 232 . 13 1 1 A 27 27 HIS HA H 27 4.515 4.344 0.171 1
1 233 . 13 1 1 A 27 27 HIS CB C 27 31.690 30.704 0.986 1
1 240 . 13 1 1 A 27 27 HIS C C 27 178.354 177.610 0.744 1
1 241 . 13 1 1 A 28 28 LEU N N 28 122.071 120.814 1.257 1
1 242 . 13 1 1 A 28 28 LEU H H 28 6.883 7.400 -0.517 1
1 243 . 13 1 1 A 28 28 LEU CA C 28 57.620 57.118 0.502 1
1 244 . 13 1 1 A 28 28 LEU HA H 28 3.326 2.094 1.232 1
1 245 . 13 1 1 A 28 28 LEU CB C 28 40.160 41.120 -0.960 1
1 258 . 13 1 1 A 28 28 LEU C C 28 177.151 177.985 -0.834 1
1 259 . 13 1 1 A 29 29 ALA N N 29 120.705 121.067 -0.362 1
1 260 . 13 1 1 A 29 29 ALA H H 29 8.279 8.091 0.188 1
1 261 . 13 1 1 A 29 29 ALA CA C 29 55.529 54.852 0.677 1
1 262 . 13 1 1 A 29 29 ALA HA H 29 3.938 3.996 -0.058 1
1 263 . 13 1 1 A 29 29 ALA CB C 29 17.758 17.756 0.002 1
1 267 . 13 1 1 A 29 29 ALA C C 29 180.633 179.940 0.693 1
1 268 . 13 1 1 A 30 30 SER N N 30 111.186 113.866 -2.680 1
1 269 . 13 1 1 A 30 30 SER H H 30 7.532 7.383 0.149 1
1 270 . 13 1 1 A 30 30 SER CA C 30 61.154 60.825 0.329 1
1 271 . 13 1 1 A 30 30 SER HA H 30 4.145 4.155 -0.010 1
1 272 . 13 1 1 A 30 30 SER CB C 30 62.792 63.045 -0.253 1
1 275 . 13 1 1 A 30 30 SER C C 30 176.819 176.522 0.297 1
1 276 . 13 1 1 A 31 31 HIS N N 31 122.310 121.322 0.988 1
1 277 . 13 1 1 A 31 31 HIS H H 31 7.533 7.623 -0.090 1
1 278 . 13 1 1 A 31 31 HIS CA C 31 59.375 59.839 -0.464 1
1 279 . 13 1 1 A 31 31 HIS HA H 31 4.196 4.334 -0.138 1
1 280 . 13 1 1 A 31 31 HIS CB C 31 28.704 30.156 -1.452 1
1 287 . 13 1 1 A 31 31 HIS C C 31 176.094 177.088 -0.994 1
1 288 . 13 1 1 A 32 32 LEU N N 32 116.904 119.577 -2.673 1
1 289 . 13 1 1 A 32 32 LEU H H 32 8.410 8.710 -0.300 1
1 290 . 13 1 1 A 32 32 LEU CA C 32 58.179 58.066 0.113 1
1 291 . 13 1 1 A 32 32 LEU HA H 32 3.831 4.079 -0.248 1
1 292 . 13 1 1 A 32 32 LEU CB C 32 42.008 41.538 0.470 1
1 305 . 13 1 1 A 32 32 LEU C C 32 178.884 179.275 -0.391 1
1 306 . 13 1 1 A 33 33 ARG N N 33 116.036 118.714 -2.678 1
1 307 . 13 1 1 A 33 33 ARG H H 33 7.068 8.410 -1.342 1
1 308 . 13 1 1 A 33 33 ARG CA C 33 58.384 59.745 -1.361 1
1 309 . 13 1 1 A 33 33 ARG HA H 33 4.131 4.268 -0.137 1
1 310 . 13 1 1 A 33 33 ARG CB C 33 29.968 29.916 0.052 1
1 319 . 13 1 1 A 33 33 ARG C C 33 178.701 178.664 0.037 1
1 320 . 13 1 1 A 34 34 ILE N N 34 116.874 116.840 0.034 1
1 321 . 13 1 1 A 34 34 ILE H H 34 7.908 7.724 0.184 1
1 322 . 13 1 1 A 34 34 ILE CA C 34 63.093 63.330 -0.237 1
1 323 . 13 1 1 A 34 34 ILE HA H 34 3.976 3.729 0.247 1
1 324 . 13 1 1 A 34 34 ILE CB C 34 37.654 37.292 0.362 1
1 337 . 13 1 1 A 34 34 ILE C C 34 177.579 176.629 0.950 1
1 338 . 13 1 1 A 35 35 HIS N N 35 117.636 119.421 -1.785 1
1 339 . 13 1 1 A 35 35 HIS H H 35 7.228 7.829 -0.601 1
1 340 . 13 1 1 A 35 35 HIS CA C 35 55.502 56.890 -1.388 1
1 341 . 13 1 1 A 35 35 HIS HA H 35 4.849 4.605 0.244 1
1 342 . 13 1 1 A 35 35 HIS CB C 35 28.632 31.954 -3.322 1
1 349 . 13 1 1 A 35 35 HIS C C 35 175.806 176.072 -0.266 1
1 350 . 13 1 1 A 36 36 THR N N 36 111.751 109.342 2.409 1
1 351 . 13 1 1 A 36 36 THR H H 36 7.810 8.215 -0.405 1
1 352 . 13 1 1 A 36 36 THR CA C 36 62.645 61.146 1.499 1
1 353 . 13 1 1 A 36 36 THR HA H 36 4.344 4.419 -0.075 1
1 354 . 13 1 1 A 36 36 THR CB C 36 69.842 68.585 1.257 1
1 360 . 13 1 1 A 36 36 THR C C 36 175.493 175.331 0.162 1
1 361 . 13 1 1 A 37 37 GLY N N 37 110.648 110.969 -0.321 1
1 362 . 13 1 1 A 37 37 GLY H H 37 8.229 8.257 -0.028 1
1 363 . 13 1 1 A 37 37 GLY CA C 37 45.270 45.782 -0.512 1
1 364 . 13 1 1 A 37 37 GLY HA2 H 37 4.029 3.933 0.096 1
1 365 . 13 1 1 A 37 37 GLY HA3 H 37 3.944 3.941 0.003 1
1 366 . 13 1 1 A 37 37 GLY C C 37 174.050 174.578 -0.528 1
1 367 . 13 1 1 A 38 38 GLU N N 38 120.571 118.420 2.151 1
1 368 . 13 1 1 A 38 38 GLU H H 38 8.068 7.857 0.211 1
1 369 . 13 1 1 A 38 38 GLU CA C 38 56.459 56.197 0.262 1
1 370 . 13 1 1 A 38 38 GLU HA H 38 4.245 4.412 -0.167 1
1 371 . 13 1 1 A 38 38 GLU CB C 38 30.556 30.111 0.445 1
1 377 . 13 1 1 A 38 38 GLU C C 38 176.194 176.107 0.087 1
1 378 . 13 1 1 A 39 39 LYS N N 39 123.762 123.259 0.503 1
1 379 . 13 1 1 A 39 39 LYS H H 39 8.404 7.654 0.750 1
1 380 . 13 1 1 A 39 39 LYS CA C 39 54.107 53.998 0.109 1
1 381 . 13 1 1 A 39 39 LYS HA H 39 4.607 4.555 0.052 1
1 382 . 13 1 1 A 39 39 LYS CB C 39 32.501 34.036 -1.535 1
1 394 . 13 1 1 A 39 39 LYS C C 39 174.460 176.150 -1.690 1
1 395 . 13 1 1 A 40 40 PRO CA C 40 63.205 64.303 -1.098 1
1 396 . 13 1 1 A 40 40 PRO HA H 40 4.462 4.466 -0.004 1
1 397 . 13 1 1 A 40 40 PRO CB C 40 32.180 31.689 0.491 1
1 406 . 13 1 1 A 42 42 GLY CA C 42 44.664 44.613 0.051 1
1 407 . 13 1 1 A 42 42 GLY HA2 H 42 4.110 4.172 -0.062 1
1 408 . 13 1 1 A 42 42 GLY HA3 H 42 4.157 4.172 -0.015 1
1 409 . 13 1 1 A 43 43 PRO CA C 43 63.253 62.730 0.523 1
1 410 . 13 1 1 A 43 43 PRO HA H 43 4.472 4.729 -0.257 1
1 411 . 13 1 1 A 43 43 PRO CB C 43 32.202 33.159 -0.957 1
1 1 . 14 1 1 A 9 9 GLY CA C 9 45.191 44.846 0.345 1
1 2 . 14 1 1 A 9 9 GLY HA2 H 9 3.910 4.032 -0.122 1
1 3 . 14 1 1 A 9 9 GLY HA3 H 9 3.910 4.035 -0.125 1
1 4 . 14 1 1 A 9 9 GLY C C 9 174.087 172.797 1.290 1
1 5 . 14 1 1 A 10 10 GLU N N 10 120.188 118.199 1.989 1
1 6 . 14 1 1 A 10 10 GLU H H 10 8.196 8.655 -0.459 1
1 7 . 14 1 1 A 10 10 GLU CA C 10 56.995 55.764 1.231 1
1 8 . 14 1 1 A 10 10 GLU HA H 10 4.167 4.963 -0.796 1
1 9 . 14 1 1 A 10 10 GLU CB C 10 30.393 31.190 -0.797 1
1 15 . 14 1 1 A 10 10 GLU C C 10 176.271 176.000 0.271 1
1 16 . 14 1 1 A 11 11 LYS N N 11 120.905 120.910 -0.005 1
1 17 . 14 1 1 A 11 11 LYS H H 11 8.243 8.433 -0.190 1
1 18 . 14 1 1 A 11 11 LYS CA C 11 53.823 52.695 1.128 1
1 19 . 14 1 1 A 11 11 LYS HA H 11 4.538 5.004 -0.466 1
1 20 . 14 1 1 A 11 11 LYS CB C 11 33.303 34.912 -1.609 1
1 32 . 14 1 1 A 11 11 LYS C C 11 173.935 175.489 -1.554 1
1 33 . 14 1 1 A 12 12 PRO CA C 12 63.584 64.690 -1.106 1
1 34 . 14 1 1 A 12 12 PRO HA H 12 4.263 4.416 -0.153 1
1 35 . 14 1 1 A 12 12 PRO CB C 12 32.345 31.839 0.506 1
1 44 . 14 1 1 A 12 12 PRO C C 12 176.502 176.166 0.336 1
1 45 . 14 1 1 A 13 13 PHE N N 13 118.504 118.563 -0.059 1
1 46 . 14 1 1 A 13 13 PHE H H 13 7.832 7.343 0.489 1
1 47 . 14 1 1 A 13 13 PHE CA C 13 57.518 57.591 -0.073 1
1 48 . 14 1 1 A 13 13 PHE HA H 13 4.678 4.896 -0.218 1
1 49 . 14 1 1 A 13 13 PHE CB C 13 39.051 40.593 -1.542 1
1 62 . 14 1 1 A 13 13 PHE C C 13 174.345 175.096 -0.751 1
1 63 . 14 1 1 A 14 14 LYS N N 14 124.932 122.139 2.793 1
1 64 . 14 1 1 A 14 14 LYS H H 14 8.568 8.905 -0.337 1
1 65 . 14 1 1 A 14 14 LYS CA C 14 55.189 54.927 0.262 1
1 66 . 14 1 1 A 14 14 LYS HA H 14 4.997 5.362 -0.365 1
1 67 . 14 1 1 A 14 14 LYS CB C 14 35.460 36.368 -0.908 1
1 79 . 14 1 1 A 14 14 LYS C C 14 175.180 175.272 -0.092 1
1 80 . 14 1 1 A 15 15 CYS N N 15 127.244 124.857 2.387 1
1 81 . 14 1 1 A 15 15 CYS H H 15 9.264 9.113 0.151 1
1 82 . 14 1 1 A 15 15 CYS CA C 15 59.641 60.475 -0.834 1
1 83 . 14 1 1 A 15 15 CYS HA H 15 4.567 4.566 0.001 1
1 84 . 14 1 1 A 15 15 CYS CB C 15 29.799 28.663 1.136 1
1 87 . 14 1 1 A 15 15 CYS C C 15 177.766 175.841 1.925 1
1 88 . 14 1 1 A 16 16 LYS N N 16 132.596 128.291 4.305 1
1 89 . 14 1 1 A 16 16 LYS H H 16 9.452 8.931 0.521 1
1 90 . 14 1 1 A 16 16 LYS CA C 16 58.651 56.514 2.137 1
1 91 . 14 1 1 A 16 16 LYS HA H 16 4.142 4.488 -0.346 1
1 92 . 14 1 1 A 16 16 LYS CB C 16 32.384 32.069 0.315 1
1 104 . 14 1 1 A 16 16 LYS C C 16 176.701 176.700 0.001 1
1 105 . 14 1 1 A 17 17 GLU N N 17 120.589 117.315 3.274 1
1 106 . 14 1 1 A 17 17 GLU H H 17 8.832 7.810 1.022 1
1 107 . 14 1 1 A 17 17 GLU CA C 17 57.941 57.086 0.855 1
1 108 . 14 1 1 A 17 17 GLU HA H 17 4.228 4.437 -0.209 1
1 109 . 14 1 1 A 17 17 GLU CB C 17 29.158 31.293 -2.135 1
1 115 . 14 1 1 A 17 17 GLU C C 17 177.504 177.789 -0.285 1
1 116 . 14 1 1 A 18 18 CYS N N 18 115.823 114.634 1.189 1
1 117 . 14 1 1 A 18 18 CYS H H 18 8.345 8.090 0.255 1
1 118 . 14 1 1 A 18 18 CYS CA C 18 58.442 59.601 -1.159 1
1 119 . 14 1 1 A 18 18 CYS HA H 18 5.196 4.716 0.480 1
1 120 . 14 1 1 A 18 18 CYS CB C 18 32.566 29.986 2.580 1
1 123 . 14 1 1 A 18 18 CYS C C 18 176.419 175.445 0.974 1
1 124 . 14 1 1 A 19 19 GLY N N 19 113.312 110.064 3.248 1
1 125 . 14 1 1 A 19 19 GLY H H 19 8.066 8.043 0.023 1
1 126 . 14 1 1 A 19 19 GLY CA C 19 46.235 45.047 1.188 1
1 127 . 14 1 1 A 19 19 GLY HA2 H 19 3.778 4.073 -0.295 1
1 128 . 14 1 1 A 19 19 GLY HA3 H 19 4.257 4.082 0.175 1
1 129 . 14 1 1 A 19 19 GLY C C 19 173.644 174.621 -0.977 1
1 130 . 14 1 1 A 20 20 LYS N N 20 123.577 122.369 1.208 1
1 131 . 14 1 1 A 20 20 LYS H H 20 7.997 7.512 0.485 1
1 132 . 14 1 1 A 20 20 LYS CA C 20 58.469 56.150 2.319 1
1 133 . 14 1 1 A 20 20 LYS HA H 20 3.908 4.190 -0.282 1
1 134 . 14 1 1 A 20 20 LYS CB C 20 33.466 33.256 0.210 1
1 146 . 14 1 1 A 20 20 LYS C C 20 173.507 175.165 -1.658 1
1 147 . 14 1 1 A 21 21 ALA N N 21 124.329 124.193 0.136 1
1 148 . 14 1 1 A 21 21 ALA H H 21 7.783 7.797 -0.014 1
1 149 . 14 1 1 A 21 21 ALA CA C 21 50.334 50.284 0.050 1
1 150 . 14 1 1 A 21 21 ALA HA H 21 5.185 5.400 -0.215 1
1 151 . 14 1 1 A 21 21 ALA CB C 21 22.524 23.556 -1.032 1
1 155 . 14 1 1 A 21 21 ALA C C 21 176.077 174.926 1.151 1
1 156 . 14 1 1 A 22 22 PHE N N 22 116.711 116.715 -0.004 1
1 157 . 14 1 1 A 22 22 PHE H H 22 8.847 9.272 -0.425 1
1 158 . 14 1 1 A 22 22 PHE CA C 22 57.330 56.320 1.010 1
1 159 . 14 1 1 A 22 22 PHE HA H 22 4.775 4.928 -0.153 1
1 160 . 14 1 1 A 22 22 PHE CB C 22 43.939 43.310 0.629 1
1 173 . 14 1 1 A 22 22 PHE C C 22 175.213 175.540 -0.327 1
1 174 . 14 1 1 A 23 23 ARG N N 23 120.534 123.460 -2.926 1
1 175 . 14 1 1 A 23 23 ARG H H 23 9.558 8.790 0.768 1
1 176 . 14 1 1 A 23 23 ARG CA C 23 58.450 57.735 0.715 1
1 177 . 14 1 1 A 23 23 ARG HA H 23 4.579 4.368 0.211 1
1 178 . 14 1 1 A 23 23 ARG CB C 23 31.693 31.145 0.548 1
1 187 . 14 1 1 A 23 23 ARG C C 23 176.152 175.725 0.427 1
1 188 . 14 1 1 A 24 24 GLN N N 24 112.058 117.427 -5.369 1
1 189 . 14 1 1 A 24 24 GLN H H 24 7.643 7.674 -0.031 1
1 190 . 14 1 1 A 24 24 GLN CA C 24 53.900 54.398 -0.498 1
1 191 . 14 1 1 A 24 24 GLN HA H 24 4.749 4.732 0.017 1
1 192 . 14 1 1 A 24 24 GLN CB C 24 32.181 31.337 0.844 1
1 201 . 14 1 1 A 24 24 GLN C C 24 176.122 175.970 0.152 1
1 202 . 14 1 1 A 25 25 ASN CA C 25 56.267 55.312 0.955 1
1 203 . 14 1 1 A 25 25 ASN HA H 25 3.435 2.874 0.561 1
1 204 . 14 1 1 A 25 25 ASN CB C 25 37.777 36.824 0.953 1
1 210 . 14 1 1 A 25 25 ASN C C 25 177.746 177.266 0.480 1
1 211 . 14 1 1 A 26 26 ILE N N 26 115.551 120.985 -5.434 1
1 212 . 14 1 1 A 26 26 ILE H H 26 8.132 7.984 0.148 1
1 213 . 14 1 1 A 26 26 ILE CA C 26 63.728 64.327 -0.599 1
1 214 . 14 1 1 A 26 26 ILE HA H 26 3.895 3.780 0.115 1
1 215 . 14 1 1 A 26 26 ILE CB C 26 37.791 37.634 0.157 1
1 228 . 14 1 1 A 26 26 ILE C C 26 177.174 177.556 -0.382 1
1 229 . 14 1 1 A 27 27 HIS N N 27 120.664 120.683 -0.019 1
1 230 . 14 1 1 A 27 27 HIS H H 27 6.592 8.236 -1.644 1
1 231 . 14 1 1 A 27 27 HIS CA C 27 56.928 58.999 -2.071 1
1 232 . 14 1 1 A 27 27 HIS HA H 27 4.515 4.193 0.322 1
1 233 . 14 1 1 A 27 27 HIS CB C 27 31.690 30.584 1.106 1
1 240 . 14 1 1 A 27 27 HIS C C 27 178.354 177.118 1.236 1
1 241 . 14 1 1 A 28 28 LEU N N 28 122.071 120.283 1.788 1
1 242 . 14 1 1 A 28 28 LEU H H 28 6.883 7.323 -0.440 1
1 243 . 14 1 1 A 28 28 LEU CA C 28 57.620 57.353 0.267 1
1 244 . 14 1 1 A 28 28 LEU HA H 28 3.326 2.231 1.095 1
1 245 . 14 1 1 A 28 28 LEU CB C 28 40.160 41.098 -0.938 1
1 258 . 14 1 1 A 28 28 LEU C C 28 177.151 177.962 -0.811 1
1 259 . 14 1 1 A 29 29 ALA N N 29 120.705 120.793 -0.088 1
1 260 . 14 1 1 A 29 29 ALA H H 29 8.279 7.895 0.384 1
1 261 . 14 1 1 A 29 29 ALA CA C 29 55.529 54.731 0.798 1
1 262 . 14 1 1 A 29 29 ALA HA H 29 3.938 4.028 -0.090 1
1 263 . 14 1 1 A 29 29 ALA CB C 29 17.758 18.127 -0.369 1
1 267 . 14 1 1 A 29 29 ALA C C 29 180.633 179.945 0.688 1
1 268 . 14 1 1 A 30 30 SER N N 30 111.186 113.036 -1.850 1
1 269 . 14 1 1 A 30 30 SER H H 30 7.532 7.740 -0.208 1
1 270 . 14 1 1 A 30 30 SER CA C 30 61.154 60.636 0.518 1
1 271 . 14 1 1 A 30 30 SER HA H 30 4.145 4.218 -0.073 1
1 272 . 14 1 1 A 30 30 SER CB C 30 62.792 62.797 -0.005 1
1 275 . 14 1 1 A 30 30 SER C C 30 176.819 176.489 0.330 1
1 276 . 14 1 1 A 31 31 HIS N N 31 122.310 121.215 1.095 1
1 277 . 14 1 1 A 31 31 HIS H H 31 7.533 7.819 -0.286 1
1 278 . 14 1 1 A 31 31 HIS CA C 31 59.375 59.247 0.128 1
1 279 . 14 1 1 A 31 31 HIS HA H 31 4.196 4.326 -0.130 1
1 280 . 14 1 1 A 31 31 HIS CB C 31 28.704 30.443 -1.739 1
1 287 . 14 1 1 A 31 31 HIS C C 31 176.094 177.213 -1.119 1
1 288 . 14 1 1 A 32 32 LEU N N 32 116.904 119.793 -2.889 1
1 289 . 14 1 1 A 32 32 LEU H H 32 8.410 8.542 -0.132 1
1 290 . 14 1 1 A 32 32 LEU CA C 32 58.179 58.156 0.023 1
1 291 . 14 1 1 A 32 32 LEU HA H 32 3.831 3.960 -0.129 1
1 292 . 14 1 1 A 32 32 LEU CB C 32 42.008 41.644 0.364 1
1 305 . 14 1 1 A 32 32 LEU C C 32 178.884 179.121 -0.237 1
1 306 . 14 1 1 A 33 33 ARG N N 33 116.036 117.260 -1.224 1
1 307 . 14 1 1 A 33 33 ARG H H 33 7.068 8.277 -1.209 1
1 308 . 14 1 1 A 33 33 ARG CA C 33 58.384 58.706 -0.322 1
1 309 . 14 1 1 A 33 33 ARG HA H 33 4.131 4.088 0.043 1
1 310 . 14 1 1 A 33 33 ARG CB C 33 29.968 30.145 -0.177 1
1 319 . 14 1 1 A 33 33 ARG C C 33 178.701 177.813 0.888 1
1 320 . 14 1 1 A 34 34 ILE N N 34 116.874 116.111 0.763 1
1 321 . 14 1 1 A 34 34 ILE H H 34 7.908 8.093 -0.185 1
1 322 . 14 1 1 A 34 34 ILE CA C 34 63.093 63.838 -0.745 1
1 323 . 14 1 1 A 34 34 ILE HA H 34 3.976 3.741 0.235 1
1 324 . 14 1 1 A 34 34 ILE CB C 34 37.654 37.248 0.406 1
1 337 . 14 1 1 A 34 34 ILE C C 34 177.579 177.205 0.374 1
1 338 . 14 1 1 A 35 35 HIS N N 35 117.636 119.516 -1.880 1
1 339 . 14 1 1 A 35 35 HIS H H 35 7.228 8.015 -0.787 1
1 340 . 14 1 1 A 35 35 HIS CA C 35 55.502 58.537 -3.035 1
1 341 . 14 1 1 A 35 35 HIS HA H 35 4.849 4.465 0.384 1
1 342 . 14 1 1 A 35 35 HIS CB C 35 28.632 31.389 -2.757 1
1 349 . 14 1 1 A 35 35 HIS C C 35 175.806 176.246 -0.440 1
1 350 . 14 1 1 A 36 36 THR N N 36 111.751 112.515 -0.764 1
1 351 . 14 1 1 A 36 36 THR H H 36 7.810 8.001 -0.191 1
1 352 . 14 1 1 A 36 36 THR CA C 36 62.645 61.102 1.543 1
1 353 . 14 1 1 A 36 36 THR HA H 36 4.344 4.358 -0.014 1
1 354 . 14 1 1 A 36 36 THR CB C 36 69.842 68.282 1.560 1
1 360 . 14 1 1 A 36 36 THR C C 36 175.493 174.188 1.305 1
1 361 . 14 1 1 A 37 37 GLY N N 37 110.648 113.329 -2.681 1
1 362 . 14 1 1 A 37 37 GLY H H 37 8.229 8.253 -0.024 1
1 363 . 14 1 1 A 37 37 GLY CA C 37 45.270 46.148 -0.878 1
1 364 . 14 1 1 A 37 37 GLY HA2 H 37 4.029 4.016 0.013 1
1 365 . 14 1 1 A 37 37 GLY HA3 H 37 3.944 4.024 -0.080 1
1 366 . 14 1 1 A 37 37 GLY C C 37 174.050 173.222 0.828 1
1 367 . 14 1 1 A 38 38 GLU N N 38 120.571 119.805 0.766 1
1 368 . 14 1 1 A 38 38 GLU H H 38 8.068 8.320 -0.252 1
1 369 . 14 1 1 A 38 38 GLU CA C 38 56.459 55.346 1.113 1
1 370 . 14 1 1 A 38 38 GLU HA H 38 4.245 4.644 -0.399 1
1 371 . 14 1 1 A 38 38 GLU CB C 38 30.556 30.154 0.402 1
1 377 . 14 1 1 A 38 38 GLU C C 38 176.194 175.364 0.830 1
1 378 . 14 1 1 A 39 39 LYS N N 39 123.762 127.147 -3.385 1
1 379 . 14 1 1 A 39 39 LYS H H 39 8.404 8.581 -0.177 1
1 380 . 14 1 1 A 39 39 LYS CA C 39 54.107 54.283 -0.176 1
1 381 . 14 1 1 A 39 39 LYS HA H 39 4.607 4.513 0.094 1
1 382 . 14 1 1 A 39 39 LYS CB C 39 32.501 33.111 -0.610 1
1 394 . 14 1 1 A 39 39 LYS C C 39 174.460 175.540 -1.080 1
1 395 . 14 1 1 A 40 40 PRO CA C 40 63.205 62.209 0.996 1
1 396 . 14 1 1 A 40 40 PRO HA H 40 4.462 4.619 -0.157 1
1 397 . 14 1 1 A 40 40 PRO CB C 40 32.180 33.057 -0.877 1
1 406 . 14 1 1 A 42 42 GLY CA C 42 44.664 44.573 0.091 1
1 407 . 14 1 1 A 42 42 GLY HA2 H 42 4.110 4.168 -0.058 1
1 408 . 14 1 1 A 42 42 GLY HA3 H 42 4.157 4.169 -0.012 1
1 409 . 14 1 1 A 43 43 PRO CA C 43 63.253 62.389 0.864 1
1 410 . 14 1 1 A 43 43 PRO HA H 43 4.472 4.769 -0.297 1
1 411 . 14 1 1 A 43 43 PRO CB C 43 32.202 29.732 2.470 1
1 1 . 15 1 1 A 9 9 GLY CA C 9 45.191 45.666 -0.475 1
1 2 . 15 1 1 A 9 9 GLY HA2 H 9 3.910 4.089 -0.179 1
1 3 . 15 1 1 A 9 9 GLY HA3 H 9 3.910 4.090 -0.180 1
1 4 . 15 1 1 A 9 9 GLY C C 9 174.087 173.106 0.981 1
1 5 . 15 1 1 A 10 10 GLU N N 10 120.188 125.838 -5.650 1
1 6 . 15 1 1 A 10 10 GLU H H 10 8.196 8.986 -0.790 1
1 7 . 15 1 1 A 10 10 GLU CA C 10 56.995 57.132 -0.137 1
1 8 . 15 1 1 A 10 10 GLU HA H 10 4.167 4.317 -0.150 1
1 9 . 15 1 1 A 10 10 GLU CB C 10 30.393 30.586 -0.193 1
1 15 . 15 1 1 A 10 10 GLU C C 10 176.271 176.039 0.232 1
1 16 . 15 1 1 A 11 11 LYS N N 11 120.905 126.898 -5.993 1
1 17 . 15 1 1 A 11 11 LYS H H 11 8.243 8.246 -0.003 1
1 18 . 15 1 1 A 11 11 LYS CA C 11 53.823 52.921 0.902 1
1 19 . 15 1 1 A 11 11 LYS HA H 11 4.538 5.005 -0.467 1
1 20 . 15 1 1 A 11 11 LYS CB C 11 33.303 34.597 -1.294 1
1 32 . 15 1 1 A 11 11 LYS C C 11 173.935 175.287 -1.352 1
1 33 . 15 1 1 A 12 12 PRO CA C 12 63.584 64.753 -1.169 1
1 34 . 15 1 1 A 12 12 PRO HA H 12 4.263 4.320 -0.057 1
1 35 . 15 1 1 A 12 12 PRO CB C 12 32.345 31.724 0.621 1
1 44 . 15 1 1 A 12 12 PRO C C 12 176.502 176.250 0.252 1
1 45 . 15 1 1 A 13 13 PHE N N 13 118.504 117.895 0.609 1
1 46 . 15 1 1 A 13 13 PHE H H 13 7.832 7.145 0.687 1
1 47 . 15 1 1 A 13 13 PHE CA C 13 57.518 58.187 -0.669 1
1 48 . 15 1 1 A 13 13 PHE HA H 13 4.678 4.736 -0.058 1
1 49 . 15 1 1 A 13 13 PHE CB C 13 39.051 39.724 -0.673 1
1 62 . 15 1 1 A 13 13 PHE C C 13 174.345 174.946 -0.601 1
1 63 . 15 1 1 A 14 14 LYS N N 14 124.932 123.907 1.025 1
1 64 . 15 1 1 A 14 14 LYS H H 14 8.568 8.933 -0.365 1
1 65 . 15 1 1 A 14 14 LYS CA C 14 55.189 54.848 0.341 1
1 66 . 15 1 1 A 14 14 LYS HA H 14 4.997 5.408 -0.411 1
1 67 . 15 1 1 A 14 14 LYS CB C 14 35.460 36.069 -0.609 1
1 79 . 15 1 1 A 14 14 LYS C C 14 175.180 175.632 -0.452 1
1 80 . 15 1 1 A 15 15 CYS N N 15 127.244 125.275 1.969 1
1 81 . 15 1 1 A 15 15 CYS H H 15 9.264 9.553 -0.289 1
1 82 . 15 1 1 A 15 15 CYS CA C 15 59.641 60.248 -0.607 1
1 83 . 15 1 1 A 15 15 CYS HA H 15 4.567 4.523 0.044 1
1 84 . 15 1 1 A 15 15 CYS CB C 15 29.799 28.861 0.938 1
1 87 . 15 1 1 A 15 15 CYS C C 15 177.766 176.537 1.229 1
1 88 . 15 1 1 A 16 16 LYS N N 16 132.596 128.695 3.901 1
1 89 . 15 1 1 A 16 16 LYS H H 16 9.452 9.034 0.418 1
1 90 . 15 1 1 A 16 16 LYS CA C 16 58.651 56.320 2.331 1
1 91 . 15 1 1 A 16 16 LYS HA H 16 4.142 4.460 -0.318 1
1 92 . 15 1 1 A 16 16 LYS CB C 16 32.384 32.644 -0.260 1
1 104 . 15 1 1 A 16 16 LYS C C 16 176.701 177.596 -0.895 1
1 105 . 15 1 1 A 17 17 GLU N N 17 120.589 120.215 0.374 1
1 106 . 15 1 1 A 17 17 GLU H H 17 8.832 7.872 0.960 1
1 107 . 15 1 1 A 17 17 GLU CA C 17 57.941 57.086 0.855 1
1 108 . 15 1 1 A 17 17 GLU HA H 17 4.228 4.503 -0.275 1
1 109 . 15 1 1 A 17 17 GLU CB C 17 29.158 31.678 -2.520 1
1 115 . 15 1 1 A 17 17 GLU C C 17 177.504 177.831 -0.327 1
1 116 . 15 1 1 A 18 18 CYS N N 18 115.823 115.097 0.726 1
1 117 . 15 1 1 A 18 18 CYS H H 18 8.345 8.140 0.205 1
1 118 . 15 1 1 A 18 18 CYS CA C 18 58.442 59.840 -1.398 1
1 119 . 15 1 1 A 18 18 CYS HA H 18 5.196 4.780 0.416 1
1 120 . 15 1 1 A 18 18 CYS CB C 18 32.566 29.983 2.583 1
1 123 . 15 1 1 A 18 18 CYS C C 18 176.419 175.642 0.777 1
1 124 . 15 1 1 A 19 19 GLY N N 19 113.312 109.885 3.427 1
1 125 . 15 1 1 A 19 19 GLY H H 19 8.066 8.012 0.054 1
1 126 . 15 1 1 A 19 19 GLY CA C 19 46.235 45.014 1.221 1
1 127 . 15 1 1 A 19 19 GLY HA2 H 19 3.778 4.070 -0.292 1
1 128 . 15 1 1 A 19 19 GLY HA3 H 19 4.257 4.078 0.179 1
1 129 . 15 1 1 A 19 19 GLY C C 19 173.644 174.525 -0.881 1
1 130 . 15 1 1 A 20 20 LYS N N 20 123.577 122.304 1.273 1
1 131 . 15 1 1 A 20 20 LYS H H 20 7.997 7.519 0.478 1
1 132 . 15 1 1 A 20 20 LYS CA C 20 58.469 55.799 2.670 1
1 133 . 15 1 1 A 20 20 LYS HA H 20 3.908 4.151 -0.243 1
1 134 . 15 1 1 A 20 20 LYS CB C 20 33.466 33.335 0.131 1
1 146 . 15 1 1 A 20 20 LYS C C 20 173.507 175.175 -1.668 1
1 147 . 15 1 1 A 21 21 ALA N N 21 124.329 126.377 -2.048 1
1 148 . 15 1 1 A 21 21 ALA H H 21 7.783 7.966 -0.183 1
1 149 . 15 1 1 A 21 21 ALA CA C 21 50.334 49.644 0.690 1
1 150 . 15 1 1 A 21 21 ALA HA H 21 5.185 5.644 -0.459 1
1 151 . 15 1 1 A 21 21 ALA CB C 21 22.524 22.636 -0.112 1
1 155 . 15 1 1 A 21 21 ALA C C 21 176.077 175.606 0.471 1
1 156 . 15 1 1 A 22 22 PHE N N 22 116.711 116.841 -0.130 1
1 157 . 15 1 1 A 22 22 PHE H H 22 8.847 9.003 -0.156 1
1 158 . 15 1 1 A 22 22 PHE CA C 22 57.330 56.500 0.830 1
1 159 . 15 1 1 A 22 22 PHE HA H 22 4.775 4.998 -0.223 1
1 160 . 15 1 1 A 22 22 PHE CB C 22 43.939 43.497 0.442 1
1 173 . 15 1 1 A 22 22 PHE C C 22 175.213 175.967 -0.754 1
1 174 . 15 1 1 A 23 23 ARG N N 23 120.534 121.643 -1.109 1
1 175 . 15 1 1 A 23 23 ARG H H 23 9.558 9.235 0.323 1
1 176 . 15 1 1 A 23 23 ARG CA C 23 58.450 57.596 0.854 1
1 177 . 15 1 1 A 23 23 ARG HA H 23 4.579 4.583 -0.004 1
1 178 . 15 1 1 A 23 23 ARG CB C 23 31.693 31.130 0.563 1
1 187 . 15 1 1 A 23 23 ARG C C 23 176.152 176.530 -0.378 1
1 188 . 15 1 1 A 24 24 GLN N N 24 112.058 117.202 -5.144 1
1 189 . 15 1 1 A 24 24 GLN H H 24 7.643 8.062 -0.419 1
1 190 . 15 1 1 A 24 24 GLN CA C 24 53.900 54.255 -0.355 1
1 191 . 15 1 1 A 24 24 GLN HA H 24 4.749 4.887 -0.138 1
1 192 . 15 1 1 A 24 24 GLN CB C 24 32.181 31.285 0.896 1
1 201 . 15 1 1 A 24 24 GLN C C 24 176.122 175.509 0.613 1
1 202 . 15 1 1 A 25 25 ASN CA C 25 56.267 55.976 0.291 1
1 203 . 15 1 1 A 25 25 ASN HA H 25 3.435 2.953 0.482 1
1 204 . 15 1 1 A 25 25 ASN CB C 25 37.777 38.214 -0.437 1
1 210 . 15 1 1 A 25 25 ASN C C 25 177.746 176.295 1.451 1
1 211 . 15 1 1 A 26 26 ILE N N 26 115.551 119.573 -4.022 1
1 212 . 15 1 1 A 26 26 ILE H H 26 8.132 7.850 0.282 1
1 213 . 15 1 1 A 26 26 ILE CA C 26 63.728 64.026 -0.298 1
1 214 . 15 1 1 A 26 26 ILE HA H 26 3.895 3.657 0.238 1
1 215 . 15 1 1 A 26 26 ILE CB C 26 37.791 37.630 0.161 1
1 228 . 15 1 1 A 26 26 ILE C C 26 177.174 177.348 -0.174 1
1 229 . 15 1 1 A 27 27 HIS N N 27 120.664 120.682 -0.018 1
1 230 . 15 1 1 A 27 27 HIS H H 27 6.592 7.628 -1.036 1
1 231 . 15 1 1 A 27 27 HIS CA C 27 56.928 59.591 -2.663 1
1 232 . 15 1 1 A 27 27 HIS HA H 27 4.515 4.286 0.229 1
1 233 . 15 1 1 A 27 27 HIS CB C 27 31.690 29.720 1.970 1
1 240 . 15 1 1 A 27 27 HIS C C 27 178.354 177.144 1.210 1
1 241 . 15 1 1 A 28 28 LEU N N 28 122.071 120.011 2.060 1
1 242 . 15 1 1 A 28 28 LEU H H 28 6.883 7.261 -0.378 1
1 243 . 15 1 1 A 28 28 LEU CA C 28 57.620 57.371 0.249 1
1 244 . 15 1 1 A 28 28 LEU HA H 28 3.326 2.399 0.927 1
1 245 . 15 1 1 A 28 28 LEU CB C 28 40.160 41.160 -1.000 1
1 258 . 15 1 1 A 28 28 LEU C C 28 177.151 177.919 -0.768 1
1 259 . 15 1 1 A 29 29 ALA N N 29 120.705 120.513 0.192 1
1 260 . 15 1 1 A 29 29 ALA H H 29 8.279 7.929 0.350 1
1 261 . 15 1 1 A 29 29 ALA CA C 29 55.529 54.506 1.023 1
1 262 . 15 1 1 A 29 29 ALA HA H 29 3.938 4.053 -0.115 1
1 263 . 15 1 1 A 29 29 ALA CB C 29 17.758 18.218 -0.460 1
1 267 . 15 1 1 A 29 29 ALA C C 29 180.633 179.644 0.989 1
1 268 . 15 1 1 A 30 30 SER N N 30 111.186 113.084 -1.898 1
1 269 . 15 1 1 A 30 30 SER H H 30 7.532 7.578 -0.046 1
1 270 . 15 1 1 A 30 30 SER CA C 30 61.154 60.583 0.571 1
1 271 . 15 1 1 A 30 30 SER HA H 30 4.145 4.262 -0.117 1
1 272 . 15 1 1 A 30 30 SER CB C 30 62.792 62.855 -0.063 1
1 275 . 15 1 1 A 30 30 SER C C 30 176.819 176.599 0.220 1
1 276 . 15 1 1 A 31 31 HIS N N 31 122.310 121.249 1.061 1
1 277 . 15 1 1 A 31 31 HIS H H 31 7.533 7.950 -0.417 1
1 278 . 15 1 1 A 31 31 HIS CA C 31 59.375 59.291 0.084 1
1 279 . 15 1 1 A 31 31 HIS HA H 31 4.196 4.354 -0.158 1
1 280 . 15 1 1 A 31 31 HIS CB C 31 28.704 30.317 -1.613 1
1 287 . 15 1 1 A 31 31 HIS C C 31 176.094 177.296 -1.202 1
1 288 . 15 1 1 A 32 32 LEU N N 32 116.904 119.753 -2.849 1
1 289 . 15 1 1 A 32 32 LEU H H 32 8.410 8.486 -0.076 1
1 290 . 15 1 1 A 32 32 LEU CA C 32 58.179 58.123 0.056 1
1 291 . 15 1 1 A 32 32 LEU HA H 32 3.831 3.856 -0.025 1
1 292 . 15 1 1 A 32 32 LEU CB C 32 42.008 41.612 0.396 1
1 305 . 15 1 1 A 32 32 LEU C C 32 178.884 179.106 -0.222 1
1 306 . 15 1 1 A 33 33 ARG N N 33 116.036 117.264 -1.228 1
1 307 . 15 1 1 A 33 33 ARG H H 33 7.068 8.286 -1.218 1
1 308 . 15 1 1 A 33 33 ARG CA C 33 58.384 58.719 -0.335 1
1 309 . 15 1 1 A 33 33 ARG HA H 33 4.131 4.097 0.034 1
1 310 . 15 1 1 A 33 33 ARG CB C 33 29.968 30.161 -0.193 1
1 319 . 15 1 1 A 33 33 ARG C C 33 178.701 177.834 0.867 1
1 320 . 15 1 1 A 34 34 ILE N N 34 116.874 116.146 0.728 1
1 321 . 15 1 1 A 34 34 ILE H H 34 7.908 8.114 -0.206 1
1 322 . 15 1 1 A 34 34 ILE CA C 34 63.093 63.885 -0.792 1
1 323 . 15 1 1 A 34 34 ILE HA H 34 3.976 3.765 0.211 1
1 324 . 15 1 1 A 34 34 ILE CB C 34 37.654 37.314 0.340 1
1 337 . 15 1 1 A 34 34 ILE C C 34 177.579 177.472 0.107 1
1 338 . 15 1 1 A 35 35 HIS N N 35 117.636 119.880 -2.244 1
1 339 . 15 1 1 A 35 35 HIS H H 35 7.228 8.046 -0.818 1
1 340 . 15 1 1 A 35 35 HIS CA C 35 55.502 59.025 -3.523 1
1 341 . 15 1 1 A 35 35 HIS HA H 35 4.849 4.448 0.401 1
1 342 . 15 1 1 A 35 35 HIS CB C 35 28.632 31.202 -2.570 1
1 349 . 15 1 1 A 35 35 HIS C C 35 175.806 176.411 -0.605 1
1 350 . 15 1 1 A 36 36 THR N N 36 111.751 111.914 -0.163 1
1 351 . 15 1 1 A 36 36 THR H H 36 7.810 7.614 0.196 1
1 352 . 15 1 1 A 36 36 THR CA C 36 62.645 61.262 1.383 1
1 353 . 15 1 1 A 36 36 THR HA H 36 4.344 4.444 -0.100 1
1 354 . 15 1 1 A 36 36 THR CB C 36 69.842 68.201 1.641 1
1 360 . 15 1 1 A 36 36 THR C C 36 175.493 173.423 2.070 1
1 361 . 15 1 1 A 37 37 GLY N N 37 110.648 112.080 -1.432 1
1 362 . 15 1 1 A 37 37 GLY H H 37 8.229 8.124 0.105 1
1 363 . 15 1 1 A 37 37 GLY CA C 37 45.270 44.787 0.483 1
1 364 . 15 1 1 A 37 37 GLY HA2 H 37 4.029 4.190 -0.161 1
1 365 . 15 1 1 A 37 37 GLY HA3 H 37 3.944 4.200 -0.256 1
1 366 . 15 1 1 A 37 37 GLY C C 37 174.050 172.021 2.029 1
1 367 . 15 1 1 A 38 38 GLU N N 38 120.571 123.862 -3.291 1
1 368 . 15 1 1 A 38 38 GLU H H 38 8.068 8.941 -0.873 1
1 369 . 15 1 1 A 38 38 GLU CA C 38 56.459 55.283 1.176 1
1 370 . 15 1 1 A 38 38 GLU HA H 38 4.245 4.945 -0.700 1
1 371 . 15 1 1 A 38 38 GLU CB C 38 30.556 33.561 -3.005 1
1 377 . 15 1 1 A 38 38 GLU C C 38 176.194 174.646 1.548 1
1 378 . 15 1 1 A 39 39 LYS N N 39 123.762 125.022 -1.260 1
1 379 . 15 1 1 A 39 39 LYS H H 39 8.404 8.854 -0.450 1
1 380 . 15 1 1 A 39 39 LYS CA C 39 54.107 53.192 0.915 1
1 381 . 15 1 1 A 39 39 LYS HA H 39 4.607 4.916 -0.309 1
1 382 . 15 1 1 A 39 39 LYS CB C 39 32.501 34.879 -2.378 1
1 394 . 15 1 1 A 39 39 LYS C C 39 174.460 176.066 -1.606 1
1 395 . 15 1 1 A 40 40 PRO CA C 40 63.205 64.264 -1.059 1
1 396 . 15 1 1 A 40 40 PRO HA H 40 4.462 4.450 0.012 1
1 397 . 15 1 1 A 40 40 PRO CB C 40 32.180 31.762 0.418 1
1 406 . 15 1 1 A 42 42 GLY CA C 42 44.664 44.843 -0.179 1
1 407 . 15 1 1 A 42 42 GLY HA2 H 42 4.110 4.136 -0.026 1
1 408 . 15 1 1 A 42 42 GLY HA3 H 42 4.157 4.137 0.020 1
1 409 . 15 1 1 A 43 43 PRO CA C 43 63.253 62.491 0.762 1
1 410 . 15 1 1 A 43 43 PRO HA H 43 4.472 4.579 -0.107 1
1 411 . 15 1 1 A 43 43 PRO CB C 43 32.202 33.316 -1.114 1
1 1 . 16 1 1 A 9 9 GLY CA C 9 45.191 45.075 0.116 1
1 2 . 16 1 1 A 9 9 GLY HA2 H 9 3.910 4.011 -0.101 1
1 3 . 16 1 1 A 9 9 GLY HA3 H 9 3.910 4.011 -0.101 1
1 4 . 16 1 1 A 9 9 GLY C C 9 174.087 174.467 -0.380 1
1 5 . 16 1 1 A 10 10 GLU N N 10 120.188 123.604 -3.416 1
1 6 . 16 1 1 A 10 10 GLU H H 10 8.196 8.589 -0.393 1
1 7 . 16 1 1 A 10 10 GLU CA C 10 56.995 56.822 0.173 1
1 8 . 16 1 1 A 10 10 GLU HA H 10 4.167 4.377 -0.210 1
1 9 . 16 1 1 A 10 10 GLU CB C 10 30.393 30.166 0.227 1
1 15 . 16 1 1 A 10 10 GLU C C 10 176.271 176.387 -0.116 1
1 16 . 16 1 1 A 11 11 LYS N N 11 120.905 125.426 -4.521 1
1 17 . 16 1 1 A 11 11 LYS H H 11 8.243 8.491 -0.248 1
1 18 . 16 1 1 A 11 11 LYS CA C 11 53.823 54.968 -1.145 1
1 19 . 16 1 1 A 11 11 LYS HA H 11 4.538 4.275 0.263 1
1 20 . 16 1 1 A 11 11 LYS CB C 11 33.303 31.864 1.439 1
1 32 . 16 1 1 A 11 11 LYS C C 11 173.935 176.762 -2.827 1
1 33 . 16 1 1 A 12 12 PRO CA C 12 63.584 64.884 -1.300 1
1 34 . 16 1 1 A 12 12 PRO HA H 12 4.263 4.301 -0.038 1
1 35 . 16 1 1 A 12 12 PRO CB C 12 32.345 31.870 0.475 1
1 44 . 16 1 1 A 12 12 PRO C C 12 176.502 176.276 0.226 1
1 45 . 16 1 1 A 13 13 PHE N N 13 118.504 118.235 0.269 1
1 46 . 16 1 1 A 13 13 PHE H H 13 7.832 7.539 0.293 1
1 47 . 16 1 1 A 13 13 PHE CA C 13 57.518 57.169 0.349 1
1 48 . 16 1 1 A 13 13 PHE HA H 13 4.678 5.037 -0.359 1
1 49 . 16 1 1 A 13 13 PHE CB C 13 39.051 40.448 -1.397 1
1 62 . 16 1 1 A 13 13 PHE C C 13 174.345 174.585 -0.240 1
1 63 . 16 1 1 A 14 14 LYS N N 14 124.932 124.538 0.394 1
1 64 . 16 1 1 A 14 14 LYS H H 14 8.568 9.104 -0.536 1
1 65 . 16 1 1 A 14 14 LYS CA C 14 55.189 54.344 0.845 1
1 66 . 16 1 1 A 14 14 LYS HA H 14 4.997 5.171 -0.174 1
1 67 . 16 1 1 A 14 14 LYS CB C 14 35.460 36.331 -0.871 1
1 79 . 16 1 1 A 14 14 LYS C C 14 175.180 175.727 -0.547 1
1 80 . 16 1 1 A 15 15 CYS N N 15 127.244 124.672 2.572 1
1 81 . 16 1 1 A 15 15 CYS H H 15 9.264 9.653 -0.389 1
1 82 . 16 1 1 A 15 15 CYS CA C 15 59.641 59.547 0.094 1
1 83 . 16 1 1 A 15 15 CYS HA H 15 4.567 4.770 -0.203 1
1 84 . 16 1 1 A 15 15 CYS CB C 15 29.799 28.604 1.195 1
1 87 . 16 1 1 A 15 15 CYS C C 15 177.766 176.113 1.653 1
1 88 . 16 1 1 A 16 16 LYS N N 16 132.596 128.523 4.073 1
1 89 . 16 1 1 A 16 16 LYS H H 16 9.452 9.071 0.381 1
1 90 . 16 1 1 A 16 16 LYS CA C 16 58.651 56.211 2.440 1
1 91 . 16 1 1 A 16 16 LYS HA H 16 4.142 4.535 -0.393 1
1 92 . 16 1 1 A 16 16 LYS CB C 16 32.384 32.861 -0.477 1
1 104 . 16 1 1 A 16 16 LYS C C 16 176.701 177.716 -1.015 1
1 105 . 16 1 1 A 17 17 GLU N N 17 120.589 120.062 0.527 1
1 106 . 16 1 1 A 17 17 GLU H H 17 8.832 7.829 1.003 1
1 107 . 16 1 1 A 17 17 GLU CA C 17 57.941 57.011 0.930 1
1 108 . 16 1 1 A 17 17 GLU HA H 17 4.228 4.411 -0.183 1
1 109 . 16 1 1 A 17 17 GLU CB C 17 29.158 31.327 -2.169 1
1 115 . 16 1 1 A 17 17 GLU C C 17 177.504 177.914 -0.410 1
1 116 . 16 1 1 A 18 18 CYS N N 18 115.823 114.510 1.313 1
1 117 . 16 1 1 A 18 18 CYS H H 18 8.345 8.056 0.289 1
1 118 . 16 1 1 A 18 18 CYS CA C 18 58.442 59.684 -1.242 1
1 119 . 16 1 1 A 18 18 CYS HA H 18 5.196 4.726 0.470 1
1 120 . 16 1 1 A 18 18 CYS CB C 18 32.566 29.822 2.744 1
1 123 . 16 1 1 A 18 18 CYS C C 18 176.419 175.488 0.931 1
1 124 . 16 1 1 A 19 19 GLY N N 19 113.312 109.499 3.813 1
1 125 . 16 1 1 A 19 19 GLY H H 19 8.066 7.975 0.091 1
1 126 . 16 1 1 A 19 19 GLY CA C 19 46.235 45.303 0.932 1
1 127 . 16 1 1 A 19 19 GLY HA2 H 19 3.778 4.046 -0.268 1
1 128 . 16 1 1 A 19 19 GLY HA3 H 19 4.257 4.067 0.190 1
1 129 . 16 1 1 A 19 19 GLY C C 19 173.644 174.561 -0.917 1
1 130 . 16 1 1 A 20 20 LYS N N 20 123.577 122.343 1.234 1
1 131 . 16 1 1 A 20 20 LYS H H 20 7.997 7.551 0.446 1
1 132 . 16 1 1 A 20 20 LYS CA C 20 58.469 56.681 1.788 1
1 133 . 16 1 1 A 20 20 LYS HA H 20 3.908 4.036 -0.128 1
1 134 . 16 1 1 A 20 20 LYS CB C 20 33.466 33.026 0.440 1
1 146 . 16 1 1 A 20 20 LYS C C 20 173.507 175.664 -2.157 1
1 147 . 16 1 1 A 21 21 ALA N N 21 124.329 126.784 -2.455 1
1 148 . 16 1 1 A 21 21 ALA H H 21 7.783 8.024 -0.241 1
1 149 . 16 1 1 A 21 21 ALA CA C 21 50.334 50.031 0.303 1
1 150 . 16 1 1 A 21 21 ALA HA H 21 5.185 5.317 -0.132 1
1 151 . 16 1 1 A 21 21 ALA CB C 21 22.524 22.373 0.151 1
1 155 . 16 1 1 A 21 21 ALA C C 21 176.077 175.912 0.165 1
1 156 . 16 1 1 A 22 22 PHE N N 22 116.711 114.888 1.823 1
1 157 . 16 1 1 A 22 22 PHE H H 22 8.847 8.684 0.163 1
1 158 . 16 1 1 A 22 22 PHE CA C 22 57.330 56.735 0.595 1
1 159 . 16 1 1 A 22 22 PHE HA H 22 4.775 4.916 -0.141 1
1 160 . 16 1 1 A 22 22 PHE CB C 22 43.939 44.017 -0.078 1
1 173 . 16 1 1 A 22 22 PHE C C 22 175.213 175.393 -0.180 1
1 174 . 16 1 1 A 23 23 ARG N N 23 120.534 120.355 0.179 1
1 175 . 16 1 1 A 23 23 ARG H H 23 9.558 8.892 0.666 1
1 176 . 16 1 1 A 23 23 ARG CA C 23 58.450 57.198 1.252 1
1 177 . 16 1 1 A 23 23 ARG HA H 23 4.579 4.654 -0.075 1
1 178 . 16 1 1 A 23 23 ARG CB C 23 31.693 31.953 -0.260 1
1 187 . 16 1 1 A 23 23 ARG C C 23 176.152 176.372 -0.220 1
1 188 . 16 1 1 A 24 24 GLN N N 24 112.058 117.628 -5.570 1
1 189 . 16 1 1 A 24 24 GLN H H 24 7.643 7.642 0.001 1
1 190 . 16 1 1 A 24 24 GLN CA C 24 53.900 54.332 -0.432 1
1 191 . 16 1 1 A 24 24 GLN HA H 24 4.749 4.652 0.097 1
1 192 . 16 1 1 A 24 24 GLN CB C 24 32.181 30.667 1.514 1
1 201 . 16 1 1 A 24 24 GLN C C 24 176.122 175.651 0.471 1
1 202 . 16 1 1 A 25 25 ASN CA C 25 56.267 55.294 0.973 1
1 203 . 16 1 1 A 25 25 ASN HA H 25 3.435 3.119 0.316 1
1 204 . 16 1 1 A 25 25 ASN CB C 25 37.777 38.167 -0.390 1
1 210 . 16 1 1 A 25 25 ASN C C 25 177.746 176.308 1.438 1
1 211 . 16 1 1 A 26 26 ILE N N 26 115.551 119.746 -4.195 1
1 212 . 16 1 1 A 26 26 ILE H H 26 8.132 7.839 0.293 1
1 213 . 16 1 1 A 26 26 ILE CA C 26 63.728 63.670 0.058 1
1 214 . 16 1 1 A 26 26 ILE HA H 26 3.895 3.769 0.126 1
1 215 . 16 1 1 A 26 26 ILE CB C 26 37.791 37.458 0.333 1
1 228 . 16 1 1 A 26 26 ILE C C 26 177.174 177.379 -0.205 1
1 229 . 16 1 1 A 27 27 HIS N N 27 120.664 120.845 -0.181 1
1 230 . 16 1 1 A 27 27 HIS H H 27 6.592 7.847 -1.255 1
1 231 . 16 1 1 A 27 27 HIS CA C 27 56.928 59.589 -2.661 1
1 232 . 16 1 1 A 27 27 HIS HA H 27 4.515 4.251 0.264 1
1 233 . 16 1 1 A 27 27 HIS CB C 27 31.690 29.834 1.856 1
1 240 . 16 1 1 A 27 27 HIS C C 27 178.354 177.197 1.157 1
1 241 . 16 1 1 A 28 28 LEU N N 28 122.071 120.368 1.703 1
1 242 . 16 1 1 A 28 28 LEU H H 28 6.883 7.360 -0.477 1
1 243 . 16 1 1 A 28 28 LEU CA C 28 57.620 57.373 0.247 1
1 244 . 16 1 1 A 28 28 LEU HA H 28 3.326 2.372 0.954 1
1 245 . 16 1 1 A 28 28 LEU CB C 28 40.160 41.423 -1.263 1
1 258 . 16 1 1 A 28 28 LEU C C 28 177.151 177.851 -0.700 1
1 259 . 16 1 1 A 29 29 ALA N N 29 120.705 120.590 0.115 1
1 260 . 16 1 1 A 29 29 ALA H H 29 8.279 8.037 0.242 1
1 261 . 16 1 1 A 29 29 ALA CA C 29 55.529 54.825 0.704 1
1 262 . 16 1 1 A 29 29 ALA HA H 29 3.938 3.986 -0.048 1
1 263 . 16 1 1 A 29 29 ALA CB C 29 17.758 18.025 -0.267 1
1 267 . 16 1 1 A 29 29 ALA C C 29 180.633 180.101 0.532 1
1 268 . 16 1 1 A 30 30 SER N N 30 111.186 113.299 -2.113 1
1 269 . 16 1 1 A 30 30 SER H H 30 7.532 7.680 -0.148 1
1 270 . 16 1 1 A 30 30 SER CA C 30 61.154 60.669 0.485 1
1 271 . 16 1 1 A 30 30 SER HA H 30 4.145 4.167 -0.022 1
1 272 . 16 1 1 A 30 30 SER CB C 30 62.792 62.899 -0.107 1
1 275 . 16 1 1 A 30 30 SER C C 30 176.819 176.533 0.286 1
1 276 . 16 1 1 A 31 31 HIS N N 31 122.310 121.158 1.152 1
1 277 . 16 1 1 A 31 31 HIS H H 31 7.533 7.876 -0.343 1
1 278 . 16 1 1 A 31 31 HIS CA C 31 59.375 59.441 -0.066 1
1 279 . 16 1 1 A 31 31 HIS HA H 31 4.196 4.237 -0.041 1
1 280 . 16 1 1 A 31 31 HIS CB C 31 28.704 30.270 -1.566 1
1 287 . 16 1 1 A 31 31 HIS C C 31 176.094 177.164 -1.070 1
1 288 . 16 1 1 A 32 32 LEU N N 32 116.904 119.745 -2.841 1
1 289 . 16 1 1 A 32 32 LEU H H 32 8.410 8.616 -0.206 1
1 290 . 16 1 1 A 32 32 LEU CA C 32 58.179 58.366 -0.187 1
1 291 . 16 1 1 A 32 32 LEU HA H 32 3.831 3.896 -0.065 1
1 292 . 16 1 1 A 32 32 LEU CB C 32 42.008 41.474 0.534 1
1 305 . 16 1 1 A 32 32 LEU C C 32 178.884 179.277 -0.393 1
1 306 . 16 1 1 A 33 33 ARG N N 33 116.036 117.349 -1.313 1
1 307 . 16 1 1 A 33 33 ARG H H 33 7.068 8.212 -1.144 1
1 308 . 16 1 1 A 33 33 ARG CA C 33 58.384 58.683 -0.299 1
1 309 . 16 1 1 A 33 33 ARG HA H 33 4.131 4.062 0.069 1
1 310 . 16 1 1 A 33 33 ARG CB C 33 29.968 30.125 -0.157 1
1 319 . 16 1 1 A 33 33 ARG C C 33 178.701 177.731 0.970 1
1 320 . 16 1 1 A 34 34 ILE N N 34 116.874 115.981 0.893 1
1 321 . 16 1 1 A 34 34 ILE H H 34 7.908 8.071 -0.163 1
1 322 . 16 1 1 A 34 34 ILE CA C 34 63.093 63.760 -0.667 1
1 323 . 16 1 1 A 34 34 ILE HA H 34 3.976 3.732 0.244 1
1 324 . 16 1 1 A 34 34 ILE CB C 34 37.654 37.288 0.366 1
1 337 . 16 1 1 A 34 34 ILE C C 34 177.579 177.410 0.169 1
1 338 . 16 1 1 A 35 35 HIS N N 35 117.636 119.869 -2.233 1
1 339 . 16 1 1 A 35 35 HIS H H 35 7.228 7.798 -0.570 1
1 340 . 16 1 1 A 35 35 HIS CA C 35 55.502 59.115 -3.613 1
1 341 . 16 1 1 A 35 35 HIS HA H 35 4.849 4.406 0.443 1
1 342 . 16 1 1 A 35 35 HIS CB C 35 28.632 31.019 -2.387 1
1 349 . 16 1 1 A 35 35 HIS C C 35 175.806 176.225 -0.419 1
1 350 . 16 1 1 A 36 36 THR N N 36 111.751 111.063 0.688 1
1 351 . 16 1 1 A 36 36 THR H H 36 7.810 7.649 0.161 1
1 352 . 16 1 1 A 36 36 THR CA C 36 62.645 61.353 1.292 1
1 353 . 16 1 1 A 36 36 THR HA H 36 4.344 4.481 -0.137 1
1 354 . 16 1 1 A 36 36 THR CB C 36 69.842 69.106 0.736 1
1 360 . 16 1 1 A 36 36 THR C C 36 175.493 174.664 0.829 1
1 361 . 16 1 1 A 37 37 GLY N N 37 110.648 110.587 0.061 1
1 362 . 16 1 1 A 37 37 GLY H H 37 8.229 8.054 0.175 1
1 363 . 16 1 1 A 37 37 GLY CA C 37 45.270 45.166 0.104 1
1 364 . 16 1 1 A 37 37 GLY HA2 H 37 4.029 3.996 0.033 1
1 365 . 16 1 1 A 37 37 GLY HA3 H 37 3.944 3.997 -0.053 1
1 366 . 16 1 1 A 37 37 GLY C C 37 174.050 173.030 1.020 1
1 367 . 16 1 1 A 38 38 GLU N N 38 120.571 120.549 0.022 1
1 368 . 16 1 1 A 38 38 GLU H H 38 8.068 8.646 -0.578 1
1 369 . 16 1 1 A 38 38 GLU CA C 38 56.459 54.683 1.776 1
1 370 . 16 1 1 A 38 38 GLU HA H 38 4.245 4.846 -0.601 1
1 371 . 16 1 1 A 38 38 GLU CB C 38 30.556 32.906 -2.350 1
1 377 . 16 1 1 A 38 38 GLU C C 38 176.194 176.125 0.069 1
1 378 . 16 1 1 A 39 39 LYS N N 39 123.762 122.856 0.906 1
1 379 . 16 1 1 A 39 39 LYS H H 39 8.404 8.270 0.134 1
1 380 . 16 1 1 A 39 39 LYS CA C 39 54.107 54.656 -0.549 1
1 381 . 16 1 1 A 39 39 LYS HA H 39 4.607 4.284 0.323 1
1 382 . 16 1 1 A 39 39 LYS CB C 39 32.501 33.267 -0.766 1
1 394 . 16 1 1 A 39 39 LYS C C 39 174.460 175.084 -0.624 1
1 395 . 16 1 1 A 40 40 PRO CA C 40 63.205 62.505 0.700 1
1 396 . 16 1 1 A 40 40 PRO HA H 40 4.462 4.644 -0.182 1
1 397 . 16 1 1 A 40 40 PRO CB C 40 32.180 32.793 -0.613 1
1 406 . 16 1 1 A 42 42 GLY CA C 42 44.664 45.984 -1.320 1
1 407 . 16 1 1 A 42 42 GLY HA2 H 42 4.110 4.066 0.044 1
1 408 . 16 1 1 A 42 42 GLY HA3 H 42 4.157 4.066 0.091 1
1 409 . 16 1 1 A 43 43 PRO CA C 43 63.253 62.836 0.417 1
1 410 . 16 1 1 A 43 43 PRO HA H 43 4.472 4.516 -0.044 1
1 411 . 16 1 1 A 43 43 PRO CB C 43 32.202 31.981 0.221 1
1 1 . 17 1 1 A 9 9 GLY CA C 9 45.191 44.632 0.559 1
1 2 . 17 1 1 A 9 9 GLY HA2 H 9 3.910 4.174 -0.264 1
1 3 . 17 1 1 A 9 9 GLY HA3 H 9 3.910 4.178 -0.268 1
1 4 . 17 1 1 A 9 9 GLY C C 9 174.087 173.031 1.056 1
1 5 . 17 1 1 A 10 10 GLU N N 10 120.188 122.714 -2.526 1
1 6 . 17 1 1 A 10 10 GLU H H 10 8.196 8.550 -0.354 1
1 7 . 17 1 1 A 10 10 GLU CA C 10 56.995 56.122 0.873 1
1 8 . 17 1 1 A 10 10 GLU HA H 10 4.167 4.430 -0.263 1
1 9 . 17 1 1 A 10 10 GLU CB C 10 30.393 30.335 0.058 1
1 15 . 17 1 1 A 10 10 GLU C C 10 176.271 176.125 0.146 1
1 16 . 17 1 1 A 11 11 LYS N N 11 120.905 123.034 -2.129 1
1 17 . 17 1 1 A 11 11 LYS H H 11 8.243 8.478 -0.235 1
1 18 . 17 1 1 A 11 11 LYS CA C 11 53.823 55.033 -1.210 1
1 19 . 17 1 1 A 11 11 LYS HA H 11 4.538 4.271 0.267 1
1 20 . 17 1 1 A 11 11 LYS CB C 11 33.303 32.459 0.844 1
1 32 . 17 1 1 A 11 11 LYS C C 11 173.935 176.981 -3.046 1
1 33 . 17 1 1 A 12 12 PRO CA C 12 63.584 64.859 -1.275 1
1 34 . 17 1 1 A 12 12 PRO HA H 12 4.263 4.286 -0.023 1
1 35 . 17 1 1 A 12 12 PRO CB C 12 32.345 31.693 0.652 1
1 44 . 17 1 1 A 12 12 PRO C C 12 176.502 176.170 0.332 1
1 45 . 17 1 1 A 13 13 PHE N N 13 118.504 118.224 0.280 1
1 46 . 17 1 1 A 13 13 PHE H H 13 7.832 7.583 0.249 1
1 47 . 17 1 1 A 13 13 PHE CA C 13 57.518 58.062 -0.544 1
1 48 . 17 1 1 A 13 13 PHE HA H 13 4.678 4.677 0.001 1
1 49 . 17 1 1 A 13 13 PHE CB C 13 39.051 39.866 -0.815 1
1 62 . 17 1 1 A 13 13 PHE C C 13 174.345 175.064 -0.719 1
1 63 . 17 1 1 A 14 14 LYS N N 14 124.932 122.715 2.217 1
1 64 . 17 1 1 A 14 14 LYS H H 14 8.568 8.820 -0.252 1
1 65 . 17 1 1 A 14 14 LYS CA C 14 55.189 55.083 0.106 1
1 66 . 17 1 1 A 14 14 LYS HA H 14 4.997 5.147 -0.150 1
1 67 . 17 1 1 A 14 14 LYS CB C 14 35.460 36.004 -0.544 1
1 79 . 17 1 1 A 14 14 LYS C C 14 175.180 175.219 -0.039 1
1 80 . 17 1 1 A 15 15 CYS N N 15 127.244 125.243 2.001 1
1 81 . 17 1 1 A 15 15 CYS H H 15 9.264 9.529 -0.265 1
1 82 . 17 1 1 A 15 15 CYS CA C 15 59.641 60.360 -0.719 1
1 83 . 17 1 1 A 15 15 CYS HA H 15 4.567 4.493 0.074 1
1 84 . 17 1 1 A 15 15 CYS CB C 15 29.799 28.587 1.212 1
1 87 . 17 1 1 A 15 15 CYS C C 15 177.766 175.752 2.014 1
1 88 . 17 1 1 A 16 16 LYS N N 16 132.596 128.057 4.539 1
1 89 . 17 1 1 A 16 16 LYS H H 16 9.452 8.969 0.483 1
1 90 . 17 1 1 A 16 16 LYS CA C 16 58.651 56.231 2.420 1
1 91 . 17 1 1 A 16 16 LYS HA H 16 4.142 4.524 -0.382 1
1 92 . 17 1 1 A 16 16 LYS CB C 16 32.384 32.203 0.181 1
1 104 . 17 1 1 A 16 16 LYS C C 16 176.701 176.796 -0.095 1
1 105 . 17 1 1 A 17 17 GLU N N 17 120.589 117.412 3.177 1
1 106 . 17 1 1 A 17 17 GLU H H 17 8.832 7.905 0.927 1
1 107 . 17 1 1 A 17 17 GLU CA C 17 57.941 57.121 0.820 1
1 108 . 17 1 1 A 17 17 GLU HA H 17 4.228 4.438 -0.210 1
1 109 . 17 1 1 A 17 17 GLU CB C 17 29.158 31.703 -2.545 1
1 115 . 17 1 1 A 17 17 GLU C C 17 177.504 177.709 -0.205 1
1 116 . 17 1 1 A 18 18 CYS N N 18 115.823 114.789 1.034 1
1 117 . 17 1 1 A 18 18 CYS H H 18 8.345 8.160 0.185 1
1 118 . 17 1 1 A 18 18 CYS CA C 18 58.442 59.745 -1.303 1
1 119 . 17 1 1 A 18 18 CYS HA H 18 5.196 4.737 0.459 1
1 120 . 17 1 1 A 18 18 CYS CB C 18 32.566 29.956 2.610 1
1 123 . 17 1 1 A 18 18 CYS C C 18 176.419 175.560 0.859 1
1 124 . 17 1 1 A 19 19 GLY N N 19 113.312 110.149 3.163 1
1 125 . 17 1 1 A 19 19 GLY H H 19 8.066 8.072 -0.006 1
1 126 . 17 1 1 A 19 19 GLY CA C 19 46.235 45.067 1.168 1
1 127 . 17 1 1 A 19 19 GLY HA2 H 19 3.778 4.075 -0.297 1
1 128 . 17 1 1 A 19 19 GLY HA3 H 19 4.257 4.088 0.169 1
1 129 . 17 1 1 A 19 19 GLY C C 19 173.644 174.499 -0.855 1
1 130 . 17 1 1 A 20 20 LYS N N 20 123.577 122.329 1.248 1
1 131 . 17 1 1 A 20 20 LYS H H 20 7.997 7.596 0.401 1
1 132 . 17 1 1 A 20 20 LYS CA C 20 58.469 55.615 2.854 1
1 133 . 17 1 1 A 20 20 LYS HA H 20 3.908 4.223 -0.315 1
1 134 . 17 1 1 A 20 20 LYS CB C 20 33.466 33.027 0.439 1
1 146 . 17 1 1 A 20 20 LYS C C 20 173.507 175.794 -2.287 1
1 147 . 17 1 1 A 21 21 ALA N N 21 124.329 128.758 -4.429 1
1 148 . 17 1 1 A 21 21 ALA H H 21 7.783 8.438 -0.655 1
1 149 . 17 1 1 A 21 21 ALA CA C 21 50.334 50.899 -0.565 1
1 150 . 17 1 1 A 21 21 ALA HA H 21 5.185 5.451 -0.266 1
1 151 . 17 1 1 A 21 21 ALA CB C 21 22.524 20.968 1.556 1
1 155 . 17 1 1 A 21 21 ALA C C 21 176.077 176.383 -0.306 1
1 156 . 17 1 1 A 22 22 PHE N N 22 116.711 117.629 -0.918 1
1 157 . 17 1 1 A 22 22 PHE H H 22 8.847 9.179 -0.332 1
1 158 . 17 1 1 A 22 22 PHE CA C 22 57.330 56.753 0.577 1
1 159 . 17 1 1 A 22 22 PHE HA H 22 4.775 5.034 -0.259 1
1 160 . 17 1 1 A 22 22 PHE CB C 22 43.939 44.014 -0.075 1
1 173 . 17 1 1 A 22 22 PHE C C 22 175.213 175.960 -0.747 1
1 174 . 17 1 1 A 23 23 ARG N N 23 120.534 121.320 -0.786 1
1 175 . 17 1 1 A 23 23 ARG H H 23 9.558 9.121 0.437 1
1 176 . 17 1 1 A 23 23 ARG CA C 23 58.450 57.611 0.839 1
1 177 . 17 1 1 A 23 23 ARG HA H 23 4.579 4.545 0.034 1
1 178 . 17 1 1 A 23 23 ARG CB C 23 31.693 31.027 0.666 1
1 187 . 17 1 1 A 23 23 ARG C C 23 176.152 176.529 -0.377 1
1 188 . 17 1 1 A 24 24 GLN N N 24 112.058 117.342 -5.284 1
1 189 . 17 1 1 A 24 24 GLN H H 24 7.643 7.673 -0.030 1
1 190 . 17 1 1 A 24 24 GLN CA C 24 53.900 54.201 -0.301 1
1 191 . 17 1 1 A 24 24 GLN HA H 24 4.749 4.695 0.054 1
1 192 . 17 1 1 A 24 24 GLN CB C 24 32.181 31.059 1.122 1
1 201 . 17 1 1 A 24 24 GLN C C 24 176.122 175.815 0.307 1
1 202 . 17 1 1 A 25 25 ASN CA C 25 56.267 55.208 1.059 1
1 203 . 17 1 1 A 25 25 ASN HA H 25 3.435 3.027 0.408 1
1 204 . 17 1 1 A 25 25 ASN CB C 25 37.777 36.883 0.894 1
1 210 . 17 1 1 A 25 25 ASN C C 25 177.746 177.201 0.545 1
1 211 . 17 1 1 A 26 26 ILE N N 26 115.551 121.040 -5.489 1
1 212 . 17 1 1 A 26 26 ILE H H 26 8.132 7.794 0.338 1
1 213 . 17 1 1 A 26 26 ILE CA C 26 63.728 63.887 -0.159 1
1 214 . 17 1 1 A 26 26 ILE HA H 26 3.895 3.764 0.131 1
1 215 . 17 1 1 A 26 26 ILE CB C 26 37.791 37.774 0.017 1
1 228 . 17 1 1 A 26 26 ILE C C 26 177.174 177.677 -0.503 1
1 229 . 17 1 1 A 27 27 HIS N N 27 120.664 120.679 -0.015 1
1 230 . 17 1 1 A 27 27 HIS H H 27 6.592 7.614 -1.022 1
1 231 . 17 1 1 A 27 27 HIS CA C 27 56.928 59.767 -2.839 1
1 232 . 17 1 1 A 27 27 HIS HA H 27 4.515 4.253 0.262 1
1 233 . 17 1 1 A 27 27 HIS CB C 27 31.690 29.621 2.069 1
1 240 . 17 1 1 A 27 27 HIS C C 27 178.354 177.083 1.271 1
1 241 . 17 1 1 A 28 28 LEU N N 28 122.071 119.957 2.114 1
1 242 . 17 1 1 A 28 28 LEU H H 28 6.883 7.306 -0.423 1
1 243 . 17 1 1 A 28 28 LEU CA C 28 57.620 57.359 0.261 1
1 244 . 17 1 1 A 28 28 LEU HA H 28 3.326 2.308 1.018 1
1 245 . 17 1 1 A 28 28 LEU CB C 28 40.160 41.129 -0.969 1
1 258 . 17 1 1 A 28 28 LEU C C 28 177.151 178.008 -0.857 1
1 259 . 17 1 1 A 29 29 ALA N N 29 120.705 120.767 -0.062 1
1 260 . 17 1 1 A 29 29 ALA H H 29 8.279 8.054 0.225 1
1 261 . 17 1 1 A 29 29 ALA CA C 29 55.529 54.880 0.649 1
1 262 . 17 1 1 A 29 29 ALA HA H 29 3.938 4.006 -0.068 1
1 263 . 17 1 1 A 29 29 ALA CB C 29 17.758 17.923 -0.165 1
1 267 . 17 1 1 A 29 29 ALA C C 29 180.633 180.184 0.449 1
1 268 . 17 1 1 A 30 30 SER N N 30 111.186 113.045 -1.859 1
1 269 . 17 1 1 A 30 30 SER H H 30 7.532 7.478 0.054 1
1 270 . 17 1 1 A 30 30 SER CA C 30 61.154 60.566 0.588 1
1 271 . 17 1 1 A 30 30 SER HA H 30 4.145 4.234 -0.089 1
1 272 . 17 1 1 A 30 30 SER CB C 30 62.792 62.726 0.066 1
1 275 . 17 1 1 A 30 30 SER C C 30 176.819 176.642 0.177 1
1 276 . 17 1 1 A 31 31 HIS N N 31 122.310 121.209 1.101 1
1 277 . 17 1 1 A 31 31 HIS H H 31 7.533 7.924 -0.391 1
1 278 . 17 1 1 A 31 31 HIS CA C 31 59.375 59.377 -0.002 1
1 279 . 17 1 1 A 31 31 HIS HA H 31 4.196 4.270 -0.074 1
1 280 . 17 1 1 A 31 31 HIS CB C 31 28.704 30.152 -1.448 1
1 287 . 17 1 1 A 31 31 HIS C C 31 176.094 177.264 -1.170 1
1 288 . 17 1 1 A 32 32 LEU N N 32 116.904 119.709 -2.805 1
1 289 . 17 1 1 A 32 32 LEU H H 32 8.410 8.743 -0.333 1
1 290 . 17 1 1 A 32 32 LEU CA C 32 58.179 58.277 -0.098 1
1 291 . 17 1 1 A 32 32 LEU HA H 32 3.831 4.008 -0.177 1
1 292 . 17 1 1 A 32 32 LEU CB C 32 42.008 41.333 0.675 1
1 305 . 17 1 1 A 32 32 LEU C C 32 178.884 179.439 -0.555 1
1 306 . 17 1 1 A 33 33 ARG N N 33 116.036 117.363 -1.327 1
1 307 . 17 1 1 A 33 33 ARG H H 33 7.068 8.311 -1.243 1
1 308 . 17 1 1 A 33 33 ARG CA C 33 58.384 58.547 -0.163 1
1 309 . 17 1 1 A 33 33 ARG HA H 33 4.131 4.104 0.027 1
1 310 . 17 1 1 A 33 33 ARG CB C 33 29.968 30.015 -0.047 1
1 319 . 17 1 1 A 33 33 ARG C C 33 178.701 177.789 0.912 1
1 320 . 17 1 1 A 34 34 ILE N N 34 116.874 116.017 0.857 1
1 321 . 17 1 1 A 34 34 ILE H H 34 7.908 7.996 -0.088 1
1 322 . 17 1 1 A 34 34 ILE CA C 34 63.093 64.056 -0.963 1
1 323 . 17 1 1 A 34 34 ILE HA H 34 3.976 3.697 0.279 1
1 324 . 17 1 1 A 34 34 ILE CB C 34 37.654 37.080 0.574 1
1 337 . 17 1 1 A 34 34 ILE C C 34 177.579 177.600 -0.021 1
1 338 . 17 1 1 A 35 35 HIS N N 35 117.636 119.440 -1.804 1
1 339 . 17 1 1 A 35 35 HIS H H 35 7.228 7.980 -0.752 1
1 340 . 17 1 1 A 35 35 HIS CA C 35 55.502 59.435 -3.933 1
1 341 . 17 1 1 A 35 35 HIS HA H 35 4.849 4.333 0.516 1
1 342 . 17 1 1 A 35 35 HIS CB C 35 28.632 31.000 -2.368 1
1 349 . 17 1 1 A 35 35 HIS C C 35 175.806 175.892 -0.086 1
1 350 . 17 1 1 A 36 36 THR N N 36 111.751 111.672 0.079 1
1 351 . 17 1 1 A 36 36 THR H H 36 7.810 7.714 0.096 1
1 352 . 17 1 1 A 36 36 THR CA C 36 62.645 60.410 2.235 1
1 353 . 17 1 1 A 36 36 THR HA H 36 4.344 4.547 -0.203 1
1 354 . 17 1 1 A 36 36 THR CB C 36 69.842 70.111 -0.269 1
1 360 . 17 1 1 A 36 36 THR C C 36 175.493 173.452 2.041 1
1 361 . 17 1 1 A 37 37 GLY N N 37 110.648 115.441 -4.793 1
1 362 . 17 1 1 A 37 37 GLY H H 37 8.229 8.394 -0.165 1
1 363 . 17 1 1 A 37 37 GLY CA C 37 45.270 45.983 -0.713 1
1 364 . 17 1 1 A 37 37 GLY HA2 H 37 4.029 4.124 -0.095 1
1 365 . 17 1 1 A 37 37 GLY HA3 H 37 3.944 4.125 -0.181 1
1 366 . 17 1 1 A 37 37 GLY C C 37 174.050 173.644 0.406 1
1 367 . 17 1 1 A 38 38 GLU N N 38 120.571 118.292 2.279 1
1 368 . 17 1 1 A 38 38 GLU H H 38 8.068 7.892 0.176 1
1 369 . 17 1 1 A 38 38 GLU CA C 38 56.459 54.724 1.735 1
1 370 . 17 1 1 A 38 38 GLU HA H 38 4.245 4.930 -0.685 1
1 371 . 17 1 1 A 38 38 GLU CB C 38 30.556 33.590 -3.034 1
1 377 . 17 1 1 A 38 38 GLU C C 38 176.194 174.925 1.269 1
1 378 . 17 1 1 A 39 39 LYS N N 39 123.762 123.393 0.369 1
1 379 . 17 1 1 A 39 39 LYS H H 39 8.404 8.461 -0.057 1
1 380 . 17 1 1 A 39 39 LYS CA C 39 54.107 53.208 0.899 1
1 381 . 17 1 1 A 39 39 LYS HA H 39 4.607 4.564 0.043 1
1 382 . 17 1 1 A 39 39 LYS CB C 39 32.501 36.292 -3.791 1
1 394 . 17 1 1 A 39 39 LYS C C 39 174.460 175.371 -0.911 1
1 395 . 17 1 1 A 40 40 PRO CA C 40 63.205 64.492 -1.287 1
1 396 . 17 1 1 A 40 40 PRO HA H 40 4.462 4.411 0.051 1
1 397 . 17 1 1 A 40 40 PRO CB C 40 32.180 31.834 0.346 1
1 406 . 17 1 1 A 42 42 GLY CA C 42 44.664 48.034 -3.370 1
1 407 . 17 1 1 A 42 42 GLY HA2 H 42 4.110 3.766 0.344 1
1 408 . 17 1 1 A 42 42 GLY HA3 H 42 4.157 3.766 0.391 1
1 409 . 17 1 1 A 43 43 PRO CA C 43 63.253 64.009 -0.756 1
1 410 . 17 1 1 A 43 43 PRO HA H 43 4.472 4.378 0.094 1
1 411 . 17 1 1 A 43 43 PRO CB C 43 32.202 31.734 0.468 1
1 1 . 18 1 1 A 9 9 GLY CA C 9 45.191 45.502 -0.311 1
1 2 . 18 1 1 A 9 9 GLY HA2 H 9 3.910 3.978 -0.068 1
1 3 . 18 1 1 A 9 9 GLY HA3 H 9 3.910 3.984 -0.074 1
1 4 . 18 1 1 A 9 9 GLY C C 9 174.087 173.016 1.071 1
1 5 . 18 1 1 A 10 10 GLU N N 10 120.188 122.901 -2.713 1
1 6 . 18 1 1 A 10 10 GLU H H 10 8.196 8.802 -0.606 1
1 7 . 18 1 1 A 10 10 GLU CA C 10 56.995 55.471 1.524 1
1 8 . 18 1 1 A 10 10 GLU HA H 10 4.167 4.783 -0.616 1
1 9 . 18 1 1 A 10 10 GLU CB C 10 30.393 30.557 -0.164 1
1 15 . 18 1 1 A 10 10 GLU C C 10 176.271 175.181 1.090 1
1 16 . 18 1 1 A 11 11 LYS N N 11 120.905 124.406 -3.501 1
1 17 . 18 1 1 A 11 11 LYS H H 11 8.243 8.224 0.019 1
1 18 . 18 1 1 A 11 11 LYS CA C 11 53.823 52.364 1.459 1
1 19 . 18 1 1 A 11 11 LYS HA H 11 4.538 4.729 -0.191 1
1 20 . 18 1 1 A 11 11 LYS CB C 11 33.303 33.886 -0.583 1
1 32 . 18 1 1 A 11 11 LYS C C 11 173.935 176.107 -2.172 1
1 33 . 18 1 1 A 12 12 PRO CA C 12 63.584 64.698 -1.114 1
1 34 . 18 1 1 A 12 12 PRO HA H 12 4.263 4.305 -0.042 1
1 35 . 18 1 1 A 12 12 PRO CB C 12 32.345 31.662 0.683 1
1 44 . 18 1 1 A 12 12 PRO C C 12 176.502 176.169 0.333 1
1 45 . 18 1 1 A 13 13 PHE N N 13 118.504 118.444 0.060 1
1 46 . 18 1 1 A 13 13 PHE H H 13 7.832 7.392 0.440 1
1 47 . 18 1 1 A 13 13 PHE CA C 13 57.518 57.562 -0.044 1
1 48 . 18 1 1 A 13 13 PHE HA H 13 4.678 4.997 -0.319 1
1 49 . 18 1 1 A 13 13 PHE CB C 13 39.051 40.489 -1.438 1
1 62 . 18 1 1 A 13 13 PHE C C 13 174.345 175.001 -0.656 1
1 63 . 18 1 1 A 14 14 LYS N N 14 124.932 122.747 2.185 1
1 64 . 18 1 1 A 14 14 LYS H H 14 8.568 8.906 -0.338 1
1 65 . 18 1 1 A 14 14 LYS CA C 14 55.189 55.131 0.058 1
1 66 . 18 1 1 A 14 14 LYS HA H 14 4.997 5.350 -0.353 1
1 67 . 18 1 1 A 14 14 LYS CB C 14 35.460 36.541 -1.081 1
1 79 . 18 1 1 A 14 14 LYS C C 14 175.180 175.281 -0.101 1
1 80 . 18 1 1 A 15 15 CYS N N 15 127.244 124.938 2.306 1
1 81 . 18 1 1 A 15 15 CYS H H 15 9.264 9.660 -0.396 1
1 82 . 18 1 1 A 15 15 CYS CA C 15 59.641 60.451 -0.810 1
1 83 . 18 1 1 A 15 15 CYS HA H 15 4.567 4.607 -0.040 1
1 84 . 18 1 1 A 15 15 CYS CB C 15 29.799 28.523 1.276 1
1 87 . 18 1 1 A 15 15 CYS C C 15 177.766 175.123 2.643 1
1 88 . 18 1 1 A 16 16 LYS N N 16 132.596 128.421 4.175 1
1 89 . 18 1 1 A 16 16 LYS H H 16 9.452 8.984 0.468 1
1 90 . 18 1 1 A 16 16 LYS CA C 16 58.651 57.256 1.395 1
1 91 . 18 1 1 A 16 16 LYS HA H 16 4.142 4.414 -0.272 1
1 92 . 18 1 1 A 16 16 LYS CB C 16 32.384 32.362 0.022 1
1 104 . 18 1 1 A 16 16 LYS C C 16 176.701 177.154 -0.453 1
1 105 . 18 1 1 A 17 17 GLU N N 17 120.589 117.904 2.685 1
1 106 . 18 1 1 A 17 17 GLU H H 17 8.832 7.949 0.883 1
1 107 . 18 1 1 A 17 17 GLU CA C 17 57.941 58.248 -0.307 1
1 108 . 18 1 1 A 17 17 GLU HA H 17 4.228 4.226 0.002 1
1 109 . 18 1 1 A 17 17 GLU CB C 17 29.158 30.323 -1.165 1
1 115 . 18 1 1 A 17 17 GLU C C 17 177.504 178.012 -0.508 1
1 116 . 18 1 1 A 18 18 CYS N N 18 115.823 114.895 0.928 1
1 117 . 18 1 1 A 18 18 CYS H H 18 8.345 7.922 0.423 1
1 118 . 18 1 1 A 18 18 CYS CA C 18 58.442 59.295 -0.853 1
1 119 . 18 1 1 A 18 18 CYS HA H 18 5.196 4.705 0.491 1
1 120 . 18 1 1 A 18 18 CYS CB C 18 32.566 30.122 2.444 1
1 123 . 18 1 1 A 18 18 CYS C C 18 176.419 175.630 0.789 1
1 124 . 18 1 1 A 19 19 GLY N N 19 113.312 109.851 3.461 1
1 125 . 18 1 1 A 19 19 GLY H H 19 8.066 8.044 0.022 1
1 126 . 18 1 1 A 19 19 GLY CA C 19 46.235 44.965 1.270 1
1 127 . 18 1 1 A 19 19 GLY HA2 H 19 3.778 4.072 -0.294 1
1 128 . 18 1 1 A 19 19 GLY HA3 H 19 4.257 4.086 0.171 1
1 129 . 18 1 1 A 19 19 GLY C C 19 173.644 174.525 -0.881 1
1 130 . 18 1 1 A 20 20 LYS N N 20 123.577 122.413 1.164 1
1 131 . 18 1 1 A 20 20 LYS H H 20 7.997 7.551 0.446 1
1 132 . 18 1 1 A 20 20 LYS CA C 20 58.469 56.464 2.005 1
1 133 . 18 1 1 A 20 20 LYS HA H 20 3.908 4.066 -0.158 1
1 134 . 18 1 1 A 20 20 LYS CB C 20 33.466 33.152 0.314 1
1 146 . 18 1 1 A 20 20 LYS C C 20 173.507 175.081 -1.574 1
1 147 . 18 1 1 A 21 21 ALA N N 21 124.329 124.292 0.037 1
1 148 . 18 1 1 A 21 21 ALA H H 21 7.783 7.805 -0.022 1
1 149 . 18 1 1 A 21 21 ALA CA C 21 50.334 49.697 0.637 1
1 150 . 18 1 1 A 21 21 ALA HA H 21 5.185 5.143 0.042 1
1 151 . 18 1 1 A 21 21 ALA CB C 21 22.524 23.343 -0.819 1
1 155 . 18 1 1 A 21 21 ALA C C 21 176.077 174.910 1.167 1
1 156 . 18 1 1 A 22 22 PHE N N 22 116.711 117.257 -0.546 1
1 157 . 18 1 1 A 22 22 PHE H H 22 8.847 9.286 -0.439 1
1 158 . 18 1 1 A 22 22 PHE CA C 22 57.330 56.638 0.692 1
1 159 . 18 1 1 A 22 22 PHE HA H 22 4.775 5.069 -0.294 1
1 160 . 18 1 1 A 22 22 PHE CB C 22 43.939 44.042 -0.103 1
1 173 . 18 1 1 A 22 22 PHE C C 22 175.213 175.435 -0.222 1
1 174 . 18 1 1 A 23 23 ARG N N 23 120.534 119.775 0.759 1
1 175 . 18 1 1 A 23 23 ARG H H 23 9.558 8.804 0.754 1
1 176 . 18 1 1 A 23 23 ARG CA C 23 58.450 56.233 2.217 1
1 177 . 18 1 1 A 23 23 ARG HA H 23 4.579 4.786 -0.207 1
1 178 . 18 1 1 A 23 23 ARG CB C 23 31.693 31.235 0.458 1
1 187 . 18 1 1 A 23 23 ARG C C 23 176.152 175.759 0.393 1
1 188 . 18 1 1 A 24 24 GLN N N 24 112.058 117.736 -5.678 1
1 189 . 18 1 1 A 24 24 GLN H H 24 7.643 7.532 0.111 1
1 190 . 18 1 1 A 24 24 GLN CA C 24 53.900 53.941 -0.041 1
1 191 . 18 1 1 A 24 24 GLN HA H 24 4.749 4.859 -0.110 1
1 192 . 18 1 1 A 24 24 GLN CB C 24 32.181 32.378 -0.197 1
1 201 . 18 1 1 A 24 24 GLN C C 24 176.122 175.294 0.828 1
1 202 . 18 1 1 A 25 25 ASN CA C 25 56.267 55.260 1.007 1
1 203 . 18 1 1 A 25 25 ASN HA H 25 3.435 3.555 -0.120 1
1 204 . 18 1 1 A 25 25 ASN CB C 25 37.777 38.391 -0.614 1
1 210 . 18 1 1 A 25 25 ASN C C 25 177.746 177.164 0.582 1
1 211 . 18 1 1 A 26 26 ILE N N 26 115.551 120.305 -4.754 1
1 212 . 18 1 1 A 26 26 ILE H H 26 8.132 7.932 0.200 1
1 213 . 18 1 1 A 26 26 ILE CA C 26 63.728 63.575 0.153 1
1 214 . 18 1 1 A 26 26 ILE HA H 26 3.895 3.753 0.142 1
1 215 . 18 1 1 A 26 26 ILE CB C 26 37.791 37.700 0.091 1
1 228 . 18 1 1 A 26 26 ILE C C 26 177.174 177.608 -0.434 1
1 229 . 18 1 1 A 27 27 HIS N N 27 120.664 121.037 -0.373 1
1 230 . 18 1 1 A 27 27 HIS H H 27 6.592 7.987 -1.395 1
1 231 . 18 1 1 A 27 27 HIS CA C 27 56.928 59.249 -2.321 1
1 232 . 18 1 1 A 27 27 HIS HA H 27 4.515 4.291 0.224 1
1 233 . 18 1 1 A 27 27 HIS CB C 27 31.690 29.875 1.815 1
1 240 . 18 1 1 A 27 27 HIS C C 27 178.354 177.039 1.315 1
1 241 . 18 1 1 A 28 28 LEU N N 28 122.071 120.104 1.967 1
1 242 . 18 1 1 A 28 28 LEU H H 28 6.883 7.812 -0.929 1
1 243 . 18 1 1 A 28 28 LEU CA C 28 57.620 57.392 0.228 1
1 244 . 18 1 1 A 28 28 LEU HA H 28 3.326 2.493 0.833 1
1 245 . 18 1 1 A 28 28 LEU CB C 28 40.160 41.113 -0.953 1
1 258 . 18 1 1 A 28 28 LEU C C 28 177.151 177.950 -0.799 1
1 259 . 18 1 1 A 29 29 ALA N N 29 120.705 120.833 -0.128 1
1 260 . 18 1 1 A 29 29 ALA H H 29 8.279 7.892 0.387 1
1 261 . 18 1 1 A 29 29 ALA CA C 29 55.529 54.776 0.753 1
1 262 . 18 1 1 A 29 29 ALA HA H 29 3.938 4.004 -0.066 1
1 263 . 18 1 1 A 29 29 ALA CB C 29 17.758 17.850 -0.092 1
1 267 . 18 1 1 A 29 29 ALA C C 29 180.633 180.121 0.512 1
1 268 . 18 1 1 A 30 30 SER N N 30 111.186 113.141 -1.955 1
1 269 . 18 1 1 A 30 30 SER H H 30 7.532 7.795 -0.263 1
1 270 . 18 1 1 A 30 30 SER CA C 30 61.154 60.599 0.555 1
1 271 . 18 1 1 A 30 30 SER HA H 30 4.145 4.194 -0.049 1
1 272 . 18 1 1 A 30 30 SER CB C 30 62.792 62.842 -0.050 1
1 275 . 18 1 1 A 30 30 SER C C 30 176.819 176.635 0.184 1
1 276 . 18 1 1 A 31 31 HIS N N 31 122.310 121.223 1.087 1
1 277 . 18 1 1 A 31 31 HIS H H 31 7.533 7.904 -0.371 1
1 278 . 18 1 1 A 31 31 HIS CA C 31 59.375 59.373 0.002 1
1 279 . 18 1 1 A 31 31 HIS HA H 31 4.196 4.225 -0.029 1
1 280 . 18 1 1 A 31 31 HIS CB C 31 28.704 30.223 -1.519 1
1 287 . 18 1 1 A 31 31 HIS C C 31 176.094 177.204 -1.110 1
1 288 . 18 1 1 A 32 32 LEU N N 32 116.904 119.478 -2.574 1
1 289 . 18 1 1 A 32 32 LEU H H 32 8.410 8.640 -0.230 1
1 290 . 18 1 1 A 32 32 LEU CA C 32 58.179 57.956 0.223 1
1 291 . 18 1 1 A 32 32 LEU HA H 32 3.831 3.894 -0.063 1
1 292 . 18 1 1 A 32 32 LEU CB C 32 42.008 41.500 0.508 1
1 305 . 18 1 1 A 32 32 LEU C C 32 178.884 179.270 -0.386 1
1 306 . 18 1 1 A 33 33 ARG N N 33 116.036 118.450 -2.414 1
1 307 . 18 1 1 A 33 33 ARG H H 33 7.068 8.334 -1.266 1
1 308 . 18 1 1 A 33 33 ARG CA C 33 58.384 59.847 -1.463 1
1 309 . 18 1 1 A 33 33 ARG HA H 33 4.131 4.334 -0.203 1
1 310 . 18 1 1 A 33 33 ARG CB C 33 29.968 29.713 0.255 1
1 319 . 18 1 1 A 33 33 ARG C C 33 178.701 178.745 -0.044 1
1 320 . 18 1 1 A 34 34 ILE N N 34 116.874 117.112 -0.238 1
1 321 . 18 1 1 A 34 34 ILE H H 34 7.908 7.967 -0.059 1
1 322 . 18 1 1 A 34 34 ILE CA C 34 63.093 63.059 0.034 1
1 323 . 18 1 1 A 34 34 ILE HA H 34 3.976 3.851 0.125 1
1 324 . 18 1 1 A 34 34 ILE CB C 34 37.654 37.394 0.260 1
1 337 . 18 1 1 A 34 34 ILE C C 34 177.579 176.708 0.871 1
1 338 . 18 1 1 A 35 35 HIS N N 35 117.636 119.194 -1.558 1
1 339 . 18 1 1 A 35 35 HIS H H 35 7.228 8.065 -0.837 1
1 340 . 18 1 1 A 35 35 HIS CA C 35 55.502 57.210 -1.708 1
1 341 . 18 1 1 A 35 35 HIS HA H 35 4.849 4.522 0.327 1
1 342 . 18 1 1 A 35 35 HIS CB C 35 28.632 31.491 -2.859 1
1 349 . 18 1 1 A 35 35 HIS C C 35 175.806 175.202 0.604 1
1 350 . 18 1 1 A 36 36 THR N N 36 111.751 110.141 1.610 1
1 351 . 18 1 1 A 36 36 THR H H 36 7.810 7.752 0.058 1
1 352 . 18 1 1 A 36 36 THR CA C 36 62.645 61.429 1.216 1
1 353 . 18 1 1 A 36 36 THR HA H 36 4.344 4.400 -0.056 1
1 354 . 18 1 1 A 36 36 THR CB C 36 69.842 69.672 0.170 1
1 360 . 18 1 1 A 36 36 THR C C 36 175.493 174.682 0.811 1
1 361 . 18 1 1 A 37 37 GLY N N 37 110.648 110.820 -0.172 1
1 362 . 18 1 1 A 37 37 GLY H H 37 8.229 8.245 -0.016 1
1 363 . 18 1 1 A 37 37 GLY CA C 37 45.270 45.475 -0.205 1
1 364 . 18 1 1 A 37 37 GLY HA2 H 37 4.029 3.977 0.052 1
1 365 . 18 1 1 A 37 37 GLY HA3 H 37 3.944 3.981 -0.037 1
1 366 . 18 1 1 A 37 37 GLY C C 37 174.050 174.579 -0.529 1
1 367 . 18 1 1 A 38 38 GLU N N 38 120.571 122.190 -1.619 1
1 368 . 18 1 1 A 38 38 GLU H H 38 8.068 8.113 -0.045 1
1 369 . 18 1 1 A 38 38 GLU CA C 38 56.459 56.832 -0.373 1
1 370 . 18 1 1 A 38 38 GLU HA H 38 4.245 4.244 0.001 1
1 371 . 18 1 1 A 38 38 GLU CB C 38 30.556 30.586 -0.030 1
1 377 . 18 1 1 A 38 38 GLU C C 38 176.194 176.112 0.082 1
1 378 . 18 1 1 A 39 39 LYS N N 39 123.762 123.385 0.377 1
1 379 . 18 1 1 A 39 39 LYS H H 39 8.404 8.402 0.002 1
1 380 . 18 1 1 A 39 39 LYS CA C 39 54.107 55.483 -1.376 1
1 381 . 18 1 1 A 39 39 LYS HA H 39 4.607 4.252 0.355 1
1 382 . 18 1 1 A 39 39 LYS CB C 39 32.501 32.490 0.011 1
1 394 . 18 1 1 A 39 39 LYS C C 39 174.460 176.045 -1.585 1
1 395 . 18 1 1 A 40 40 PRO CA C 40 63.205 62.873 0.332 1
1 396 . 18 1 1 A 40 40 PRO HA H 40 4.462 4.684 -0.222 1
1 397 . 18 1 1 A 40 40 PRO CB C 40 32.180 32.642 -0.462 1
1 406 . 18 1 1 A 42 42 GLY CA C 42 44.664 45.563 -0.899 1
1 407 . 18 1 1 A 42 42 GLY HA2 H 42 4.110 4.058 0.052 1
1 408 . 18 1 1 A 42 42 GLY HA3 H 42 4.157 4.059 0.098 1
1 409 . 18 1 1 A 43 43 PRO CA C 43 63.253 64.901 -1.648 1
1 410 . 18 1 1 A 43 43 PRO HA H 43 4.472 4.327 0.145 1
1 411 . 18 1 1 A 43 43 PRO CB C 43 32.202 32.127 0.075 1
1 1 . 19 1 1 A 9 9 GLY CA C 9 45.191 45.753 -0.562 1
1 2 . 19 1 1 A 9 9 GLY HA2 H 9 3.910 4.181 -0.271 1
1 3 . 19 1 1 A 9 9 GLY HA3 H 9 3.910 4.182 -0.272 1
1 4 . 19 1 1 A 9 9 GLY C C 9 174.087 174.284 -0.197 1
1 5 . 19 1 1 A 10 10 GLU N N 10 120.188 120.725 -0.537 1
1 6 . 19 1 1 A 10 10 GLU H H 10 8.196 8.320 -0.124 1
1 7 . 19 1 1 A 10 10 GLU CA C 10 56.995 56.148 0.847 1
1 8 . 19 1 1 A 10 10 GLU HA H 10 4.167 4.231 -0.064 1
1 9 . 19 1 1 A 10 10 GLU CB C 10 30.393 29.044 1.349 1
1 15 . 19 1 1 A 10 10 GLU C C 10 176.271 175.833 0.438 1
1 16 . 19 1 1 A 11 11 LYS N N 11 120.905 120.092 0.813 1
1 17 . 19 1 1 A 11 11 LYS H H 11 8.243 7.310 0.933 1
1 18 . 19 1 1 A 11 11 LYS CA C 11 53.823 52.164 1.659 1
1 19 . 19 1 1 A 11 11 LYS HA H 11 4.538 4.725 -0.187 1
1 20 . 19 1 1 A 11 11 LYS CB C 11 33.303 33.507 -0.204 1
1 32 . 19 1 1 A 11 11 LYS C C 11 173.935 175.861 -1.926 1
1 33 . 19 1 1 A 12 12 PRO CA C 12 63.584 64.981 -1.397 1
1 34 . 19 1 1 A 12 12 PRO HA H 12 4.263 4.248 0.015 1
1 35 . 19 1 1 A 12 12 PRO CB C 12 32.345 31.717 0.628 1
1 44 . 19 1 1 A 12 12 PRO C C 12 176.502 176.308 0.194 1
1 45 . 19 1 1 A 13 13 PHE N N 13 118.504 117.954 0.550 1
1 46 . 19 1 1 A 13 13 PHE H H 13 7.832 7.729 0.103 1
1 47 . 19 1 1 A 13 13 PHE CA C 13 57.518 58.625 -1.107 1
1 48 . 19 1 1 A 13 13 PHE HA H 13 4.678 4.679 -0.001 1
1 49 . 19 1 1 A 13 13 PHE CB C 13 39.051 40.272 -1.221 1
1 62 . 19 1 1 A 13 13 PHE C C 13 174.345 175.400 -1.055 1
1 63 . 19 1 1 A 14 14 LYS N N 14 124.932 122.462 2.470 1
1 64 . 19 1 1 A 14 14 LYS H H 14 8.568 8.793 -0.225 1
1 65 . 19 1 1 A 14 14 LYS CA C 14 55.189 55.000 0.189 1
1 66 . 19 1 1 A 14 14 LYS HA H 14 4.997 4.961 0.036 1
1 67 . 19 1 1 A 14 14 LYS CB C 14 35.460 36.255 -0.795 1
1 79 . 19 1 1 A 14 14 LYS C C 14 175.180 174.754 0.426 1
1 80 . 19 1 1 A 15 15 CYS N N 15 127.244 124.925 2.319 1
1 81 . 19 1 1 A 15 15 CYS H H 15 9.264 9.320 -0.056 1
1 82 . 19 1 1 A 15 15 CYS CA C 15 59.641 58.616 1.025 1
1 83 . 19 1 1 A 15 15 CYS HA H 15 4.567 4.744 -0.177 1
1 84 . 19 1 1 A 15 15 CYS CB C 15 29.799 27.454 2.345 1
1 87 . 19 1 1 A 15 15 CYS C C 15 177.766 175.973 1.793 1
1 88 . 19 1 1 A 16 16 LYS N N 16 132.596 126.111 6.485 1
1 89 . 19 1 1 A 16 16 LYS H H 16 9.452 8.644 0.808 1
1 90 . 19 1 1 A 16 16 LYS CA C 16 58.651 58.582 0.069 1
1 91 . 19 1 1 A 16 16 LYS HA H 16 4.142 4.070 0.072 1
1 92 . 19 1 1 A 16 16 LYS CB C 16 32.384 32.084 0.300 1
1 104 . 19 1 1 A 16 16 LYS C C 16 176.701 178.570 -1.869 1
1 105 . 19 1 1 A 17 17 GLU N N 17 120.589 118.051 2.538 1
1 106 . 19 1 1 A 17 17 GLU H H 17 8.832 8.059 0.773 1
1 107 . 19 1 1 A 17 17 GLU CA C 17 57.941 58.693 -0.752 1
1 108 . 19 1 1 A 17 17 GLU HA H 17 4.228 4.066 0.162 1
1 109 . 19 1 1 A 17 17 GLU CB C 17 29.158 29.887 -0.729 1
1 115 . 19 1 1 A 17 17 GLU C C 17 177.504 178.306 -0.802 1
1 116 . 19 1 1 A 18 18 CYS N N 18 115.823 114.701 1.122 1
1 117 . 19 1 1 A 18 18 CYS H H 18 8.345 7.833 0.512 1
1 118 . 19 1 1 A 18 18 CYS CA C 18 58.442 59.522 -1.080 1
1 119 . 19 1 1 A 18 18 CYS HA H 18 5.196 4.542 0.654 1
1 120 . 19 1 1 A 18 18 CYS CB C 18 32.566 29.494 3.072 1
1 123 . 19 1 1 A 18 18 CYS C C 18 176.419 175.262 1.157 1
1 124 . 19 1 1 A 19 19 GLY N N 19 113.312 109.821 3.491 1
1 125 . 19 1 1 A 19 19 GLY H H 19 8.066 7.746 0.320 1
1 126 . 19 1 1 A 19 19 GLY CA C 19 46.235 44.969 1.266 1
1 127 . 19 1 1 A 19 19 GLY HA2 H 19 3.778 4.029 -0.251 1
1 128 . 19 1 1 A 19 19 GLY HA3 H 19 4.257 4.043 0.214 1
1 129 . 19 1 1 A 19 19 GLY C C 19 173.644 174.477 -0.833 1
1 130 . 19 1 1 A 20 20 LYS N N 20 123.577 122.514 1.063 1
1 131 . 19 1 1 A 20 20 LYS H H 20 7.997 7.515 0.482 1
1 132 . 19 1 1 A 20 20 LYS CA C 20 58.469 56.239 2.230 1
1 133 . 19 1 1 A 20 20 LYS HA H 20 3.908 4.008 -0.100 1
1 134 . 19 1 1 A 20 20 LYS CB C 20 33.466 32.542 0.924 1
1 146 . 19 1 1 A 20 20 LYS C C 20 173.507 175.833 -2.326 1
1 147 . 19 1 1 A 21 21 ALA N N 21 124.329 128.674 -4.345 1
1 148 . 19 1 1 A 21 21 ALA H H 21 7.783 8.164 -0.381 1
1 149 . 19 1 1 A 21 21 ALA CA C 21 50.334 50.817 -0.483 1
1 150 . 19 1 1 A 21 21 ALA HA H 21 5.185 5.105 0.080 1
1 151 . 19 1 1 A 21 21 ALA CB C 21 22.524 20.726 1.798 1
1 155 . 19 1 1 A 21 21 ALA C C 21 176.077 176.113 -0.036 1
1 156 . 19 1 1 A 22 22 PHE N N 22 116.711 116.047 0.664 1
1 157 . 19 1 1 A 22 22 PHE H H 22 8.847 8.786 0.061 1
1 158 . 19 1 1 A 22 22 PHE CA C 22 57.330 56.804 0.526 1
1 159 . 19 1 1 A 22 22 PHE HA H 22 4.775 4.937 -0.162 1
1 160 . 19 1 1 A 22 22 PHE CB C 22 43.939 43.854 0.085 1
1 173 . 19 1 1 A 22 22 PHE C C 22 175.213 175.465 -0.252 1
1 174 . 19 1 1 A 23 23 ARG N N 23 120.534 120.332 0.202 1
1 175 . 19 1 1 A 23 23 ARG H H 23 9.558 8.853 0.705 1
1 176 . 19 1 1 A 23 23 ARG CA C 23 58.450 57.330 1.120 1
1 177 . 19 1 1 A 23 23 ARG HA H 23 4.579 4.611 -0.032 1
1 178 . 19 1 1 A 23 23 ARG CB C 23 31.693 31.857 -0.164 1
1 187 . 19 1 1 A 23 23 ARG C C 23 176.152 176.437 -0.285 1
1 188 . 19 1 1 A 24 24 GLN N N 24 112.058 117.185 -5.127 1
1 189 . 19 1 1 A 24 24 GLN H H 24 7.643 7.772 -0.129 1
1 190 . 19 1 1 A 24 24 GLN CA C 24 53.900 54.253 -0.353 1
1 191 . 19 1 1 A 24 24 GLN HA H 24 4.749 4.537 0.212 1
1 192 . 19 1 1 A 24 24 GLN CB C 24 32.181 31.399 0.782 1
1 201 . 19 1 1 A 24 24 GLN C C 24 176.122 175.249 0.873 1
1 202 . 19 1 1 A 25 25 ASN CA C 25 56.267 56.776 -0.509 1
1 203 . 19 1 1 A 25 25 ASN HA H 25 3.435 3.523 -0.088 1
1 204 . 19 1 1 A 25 25 ASN CB C 25 37.777 38.364 -0.587 1
1 210 . 19 1 1 A 25 25 ASN C C 25 177.746 176.550 1.196 1
1 211 . 19 1 1 A 26 26 ILE N N 26 115.551 119.689 -4.138 1
1 212 . 19 1 1 A 26 26 ILE H H 26 8.132 7.922 0.210 1
1 213 . 19 1 1 A 26 26 ILE CA C 26 63.728 64.099 -0.371 1
1 214 . 19 1 1 A 26 26 ILE HA H 26 3.895 3.714 0.181 1
1 215 . 19 1 1 A 26 26 ILE CB C 26 37.791 37.645 0.146 1
1 228 . 19 1 1 A 26 26 ILE C C 26 177.174 177.436 -0.262 1
1 229 . 19 1 1 A 27 27 HIS N N 27 120.664 120.651 0.013 1
1 230 . 19 1 1 A 27 27 HIS H H 27 6.592 7.833 -1.241 1
1 231 . 19 1 1 A 27 27 HIS CA C 27 56.928 59.191 -2.263 1
1 232 . 19 1 1 A 27 27 HIS HA H 27 4.515 4.251 0.264 1
1 233 . 19 1 1 A 27 27 HIS CB C 27 31.690 29.721 1.969 1
1 240 . 19 1 1 A 27 27 HIS C C 27 178.354 177.111 1.243 1
1 241 . 19 1 1 A 28 28 LEU N N 28 122.071 119.894 2.177 1
1 242 . 19 1 1 A 28 28 LEU H H 28 6.883 7.287 -0.404 1
1 243 . 19 1 1 A 28 28 LEU CA C 28 57.620 57.343 0.277 1
1 244 . 19 1 1 A 28 28 LEU HA H 28 3.326 2.212 1.114 1
1 245 . 19 1 1 A 28 28 LEU CB C 28 40.160 41.267 -1.107 1
1 258 . 19 1 1 A 28 28 LEU C C 28 177.151 177.846 -0.695 1
1 259 . 19 1 1 A 29 29 ALA N N 29 120.705 120.536 0.169 1
1 260 . 19 1 1 A 29 29 ALA H H 29 8.279 8.246 0.033 1
1 261 . 19 1 1 A 29 29 ALA CA C 29 55.529 54.813 0.716 1
1 262 . 19 1 1 A 29 29 ALA HA H 29 3.938 4.004 -0.066 1
1 263 . 19 1 1 A 29 29 ALA CB C 29 17.758 17.952 -0.194 1
1 267 . 19 1 1 A 29 29 ALA C C 29 180.633 180.064 0.569 1
1 268 . 19 1 1 A 30 30 SER N N 30 111.186 113.096 -1.910 1
1 269 . 19 1 1 A 30 30 SER H H 30 7.532 7.654 -0.122 1
1 270 . 19 1 1 A 30 30 SER CA C 30 61.154 60.509 0.645 1
1 271 . 19 1 1 A 30 30 SER HA H 30 4.145 4.208 -0.063 1
1 272 . 19 1 1 A 30 30 SER CB C 30 62.792 62.702 0.090 1
1 275 . 19 1 1 A 30 30 SER C C 30 176.819 176.534 0.285 1
1 276 . 19 1 1 A 31 31 HIS N N 31 122.310 121.186 1.124 1
1 277 . 19 1 1 A 31 31 HIS H H 31 7.533 8.000 -0.467 1
1 278 . 19 1 1 A 31 31 HIS CA C 31 59.375 59.282 0.093 1
1 279 . 19 1 1 A 31 31 HIS HA H 31 4.196 4.295 -0.099 1
1 280 . 19 1 1 A 31 31 HIS CB C 31 28.704 30.237 -1.533 1
1 287 . 19 1 1 A 31 31 HIS C C 31 176.094 177.011 -0.917 1
1 288 . 19 1 1 A 32 32 LEU N N 32 116.904 119.511 -2.607 1
1 289 . 19 1 1 A 32 32 LEU H H 32 8.410 8.555 -0.145 1
1 290 . 19 1 1 A 32 32 LEU CA C 32 58.179 57.907 0.272 1
1 291 . 19 1 1 A 32 32 LEU HA H 32 3.831 3.999 -0.168 1
1 292 . 19 1 1 A 32 32 LEU CB C 32 42.008 41.525 0.483 1
1 305 . 19 1 1 A 32 32 LEU C C 32 178.884 179.225 -0.341 1
1 306 . 19 1 1 A 33 33 ARG N N 33 116.036 118.933 -2.897 1
1 307 . 19 1 1 A 33 33 ARG H H 33 7.068 8.352 -1.284 1
1 308 . 19 1 1 A 33 33 ARG CA C 33 58.384 59.717 -1.333 1
1 309 . 19 1 1 A 33 33 ARG HA H 33 4.131 4.240 -0.109 1
1 310 . 19 1 1 A 33 33 ARG CB C 33 29.968 29.775 0.193 1
1 319 . 19 1 1 A 33 33 ARG C C 33 178.701 179.041 -0.340 1
1 320 . 19 1 1 A 34 34 ILE N N 34 116.874 117.250 -0.376 1
1 321 . 19 1 1 A 34 34 ILE H H 34 7.908 8.092 -0.184 1
1 322 . 19 1 1 A 34 34 ILE CA C 34 63.093 63.173 -0.080 1
1 323 . 19 1 1 A 34 34 ILE HA H 34 3.976 3.782 0.194 1
1 324 . 19 1 1 A 34 34 ILE CB C 34 37.654 37.244 0.410 1
1 337 . 19 1 1 A 34 34 ILE C C 34 177.579 176.746 0.833 1
1 338 . 19 1 1 A 35 35 HIS N N 35 117.636 118.954 -1.318 1
1 339 . 19 1 1 A 35 35 HIS H H 35 7.228 7.849 -0.621 1
1 340 . 19 1 1 A 35 35 HIS CA C 35 55.502 57.022 -1.520 1
1 341 . 19 1 1 A 35 35 HIS HA H 35 4.849 4.610 0.239 1
1 342 . 19 1 1 A 35 35 HIS CB C 35 28.632 31.501 -2.869 1
1 349 . 19 1 1 A 35 35 HIS C C 35 175.806 175.262 0.544 1
1 350 . 19 1 1 A 36 36 THR N N 36 111.751 111.918 -0.167 1
1 351 . 19 1 1 A 36 36 THR H H 36 7.810 7.782 0.028 1
1 352 . 19 1 1 A 36 36 THR CA C 36 62.645 62.138 0.507 1
1 353 . 19 1 1 A 36 36 THR HA H 36 4.344 4.176 0.168 1
1 354 . 19 1 1 A 36 36 THR CB C 36 69.842 69.691 0.151 1
1 360 . 19 1 1 A 36 36 THR C C 36 175.493 174.556 0.937 1
1 361 . 19 1 1 A 37 37 GLY N N 37 110.648 109.455 1.193 1
1 362 . 19 1 1 A 37 37 GLY H H 37 8.229 8.429 -0.200 1
1 363 . 19 1 1 A 37 37 GLY CA C 37 45.270 45.480 -0.210 1
1 364 . 19 1 1 A 37 37 GLY HA2 H 37 4.029 4.140 -0.111 1
1 365 . 19 1 1 A 37 37 GLY HA3 H 37 3.944 4.146 -0.202 1
1 366 . 19 1 1 A 37 37 GLY C C 37 174.050 172.441 1.609 1
1 367 . 19 1 1 A 38 38 GLU N N 38 120.571 122.995 -2.424 1
1 368 . 19 1 1 A 38 38 GLU H H 38 8.068 8.489 -0.421 1
1 369 . 19 1 1 A 38 38 GLU CA C 38 56.459 55.924 0.535 1
1 370 . 19 1 1 A 38 38 GLU HA H 38 4.245 4.661 -0.416 1
1 371 . 19 1 1 A 38 38 GLU CB C 38 30.556 31.005 -0.449 1
1 377 . 19 1 1 A 38 38 GLU C C 38 176.194 175.786 0.408 1
1 378 . 19 1 1 A 39 39 LYS N N 39 123.762 120.820 2.942 1
1 379 . 19 1 1 A 39 39 LYS H H 39 8.404 8.994 -0.590 1
1 380 . 19 1 1 A 39 39 LYS CA C 39 54.107 54.133 -0.026 1
1 381 . 19 1 1 A 39 39 LYS HA H 39 4.607 4.905 -0.298 1
1 382 . 19 1 1 A 39 39 LYS CB C 39 32.501 35.749 -3.248 1
1 394 . 19 1 1 A 39 39 LYS C C 39 174.460 173.412 1.048 1
1 395 . 19 1 1 A 40 40 PRO CA C 40 63.205 62.858 0.347 1
1 396 . 19 1 1 A 40 40 PRO HA H 40 4.462 4.672 -0.210 1
1 397 . 19 1 1 A 40 40 PRO CB C 40 32.180 31.639 0.541 1
1 406 . 19 1 1 A 42 42 GLY CA C 42 44.664 47.087 -2.423 1
1 407 . 19 1 1 A 42 42 GLY HA2 H 42 4.110 3.920 0.190 1
1 408 . 19 1 1 A 42 42 GLY HA3 H 42 4.157 3.920 0.237 1
1 409 . 19 1 1 A 43 43 PRO CA C 43 63.253 62.425 0.828 1
1 410 . 19 1 1 A 43 43 PRO HA H 43 4.472 4.566 -0.094 1
1 411 . 19 1 1 A 43 43 PRO CB C 43 32.202 31.132 1.070 1
1 1 . 20 1 1 A 9 9 GLY CA C 9 45.191 45.849 -0.658 1
1 2 . 20 1 1 A 9 9 GLY HA2 H 9 3.910 4.127 -0.217 1
1 3 . 20 1 1 A 9 9 GLY HA3 H 9 3.910 4.133 -0.223 1
1 4 . 20 1 1 A 9 9 GLY C C 9 174.087 173.589 0.498 1
1 5 . 20 1 1 A 10 10 GLU N N 10 120.188 121.617 -1.429 1
1 6 . 20 1 1 A 10 10 GLU H H 10 8.196 8.654 -0.458 1
1 7 . 20 1 1 A 10 10 GLU CA C 10 56.995 56.223 0.772 1
1 8 . 20 1 1 A 10 10 GLU HA H 10 4.167 4.588 -0.421 1
1 9 . 20 1 1 A 10 10 GLU CB C 10 30.393 29.838 0.555 1
1 15 . 20 1 1 A 10 10 GLU C C 10 176.271 176.545 -0.274 1
1 16 . 20 1 1 A 11 11 LYS N N 11 120.905 120.568 0.337 1
1 17 . 20 1 1 A 11 11 LYS H H 11 8.243 7.294 0.949 1
1 18 . 20 1 1 A 11 11 LYS CA C 11 53.823 55.136 -1.313 1
1 19 . 20 1 1 A 11 11 LYS HA H 11 4.538 4.633 -0.095 1
1 20 . 20 1 1 A 11 11 LYS CB C 11 33.303 32.634 0.669 1
1 32 . 20 1 1 A 11 11 LYS C C 11 173.935 176.913 -2.978 1
1 33 . 20 1 1 A 12 12 PRO CA C 12 63.584 64.904 -1.320 1
1 34 . 20 1 1 A 12 12 PRO HA H 12 4.263 4.315 -0.052 1
1 35 . 20 1 1 A 12 12 PRO CB C 12 32.345 31.630 0.715 1
1 44 . 20 1 1 A 12 12 PRO C C 12 176.502 176.128 0.374 1
1 45 . 20 1 1 A 13 13 PHE N N 13 118.504 117.859 0.645 1
1 46 . 20 1 1 A 13 13 PHE H H 13 7.832 7.309 0.523 1
1 47 . 20 1 1 A 13 13 PHE CA C 13 57.518 57.181 0.337 1
1 48 . 20 1 1 A 13 13 PHE HA H 13 4.678 4.779 -0.101 1
1 49 . 20 1 1 A 13 13 PHE CB C 13 39.051 38.817 0.234 1
1 62 . 20 1 1 A 13 13 PHE C C 13 174.345 175.550 -1.205 1
1 63 . 20 1 1 A 14 14 LYS N N 14 124.932 121.822 3.110 1
1 64 . 20 1 1 A 14 14 LYS H H 14 8.568 8.715 -0.147 1
1 65 . 20 1 1 A 14 14 LYS CA C 14 55.189 55.655 -0.466 1
1 66 . 20 1 1 A 14 14 LYS HA H 14 4.997 5.071 -0.074 1
1 67 . 20 1 1 A 14 14 LYS CB C 14 35.460 33.909 1.551 1
1 79 . 20 1 1 A 14 14 LYS C C 14 175.180 175.752 -0.572 1
1 80 . 20 1 1 A 15 15 CYS N N 15 127.244 122.555 4.689 1
1 81 . 20 1 1 A 15 15 CYS H H 15 9.264 9.479 -0.215 1
1 82 . 20 1 1 A 15 15 CYS CA C 15 59.641 59.755 -0.114 1
1 83 . 20 1 1 A 15 15 CYS HA H 15 4.567 4.745 -0.178 1
1 84 . 20 1 1 A 15 15 CYS CB C 15 29.799 28.525 1.274 1
1 87 . 20 1 1 A 15 15 CYS C C 15 177.766 176.001 1.765 1
1 88 . 20 1 1 A 16 16 LYS N N 16 132.596 128.264 4.332 1
1 89 . 20 1 1 A 16 16 LYS H H 16 9.452 9.040 0.412 1
1 90 . 20 1 1 A 16 16 LYS CA C 16 58.651 56.979 1.672 1
1 91 . 20 1 1 A 16 16 LYS HA H 16 4.142 4.463 -0.321 1
1 92 . 20 1 1 A 16 16 LYS CB C 16 32.384 32.193 0.191 1
1 104 . 20 1 1 A 16 16 LYS C C 16 176.701 176.841 -0.140 1
1 105 . 20 1 1 A 17 17 GLU N N 17 120.589 117.290 3.299 1
1 106 . 20 1 1 A 17 17 GLU H H 17 8.832 7.976 0.856 1
1 107 . 20 1 1 A 17 17 GLU CA C 17 57.941 57.029 0.912 1
1 108 . 20 1 1 A 17 17 GLU HA H 17 4.228 4.419 -0.191 1
1 109 . 20 1 1 A 17 17 GLU CB C 17 29.158 31.836 -2.678 1
1 115 . 20 1 1 A 17 17 GLU C C 17 177.504 177.851 -0.347 1
1 116 . 20 1 1 A 18 18 CYS N N 18 115.823 114.380 1.443 1
1 117 . 20 1 1 A 18 18 CYS H H 18 8.345 7.941 0.404 1
1 118 . 20 1 1 A 18 18 CYS CA C 18 58.442 58.795 -0.353 1
1 119 . 20 1 1 A 18 18 CYS HA H 18 5.196 4.615 0.581 1
1 120 . 20 1 1 A 18 18 CYS CB C 18 32.566 30.264 2.302 1
1 123 . 20 1 1 A 18 18 CYS C C 18 176.419 175.975 0.444 1
1 124 . 20 1 1 A 19 19 GLY N N 19 113.312 110.337 2.975 1
1 125 . 20 1 1 A 19 19 GLY H H 19 8.066 7.928 0.138 1
1 126 . 20 1 1 A 19 19 GLY CA C 19 46.235 45.028 1.207 1
1 127 . 20 1 1 A 19 19 GLY HA2 H 19 3.778 3.972 -0.194 1
1 128 . 20 1 1 A 19 19 GLY HA3 H 19 4.257 3.994 0.263 1
1 129 . 20 1 1 A 19 19 GLY C C 19 173.644 174.476 -0.832 1
1 130 . 20 1 1 A 20 20 LYS N N 20 123.577 122.511 1.066 1
1 131 . 20 1 1 A 20 20 LYS H H 20 7.997 7.588 0.409 1
1 132 . 20 1 1 A 20 20 LYS CA C 20 58.469 56.781 1.688 1
1 133 . 20 1 1 A 20 20 LYS HA H 20 3.908 4.046 -0.138 1
1 134 . 20 1 1 A 20 20 LYS CB C 20 33.466 33.080 0.386 1
1 146 . 20 1 1 A 20 20 LYS C C 20 173.507 175.524 -2.017 1
1 147 . 20 1 1 A 21 21 ALA N N 21 124.329 128.768 -4.439 1
1 148 . 20 1 1 A 21 21 ALA H H 21 7.783 8.267 -0.484 1
1 149 . 20 1 1 A 21 21 ALA CA C 21 50.334 50.598 -0.264 1
1 150 . 20 1 1 A 21 21 ALA HA H 21 5.185 5.554 -0.369 1
1 151 . 20 1 1 A 21 21 ALA CB C 21 22.524 21.707 0.817 1
1 155 . 20 1 1 A 21 21 ALA C C 21 176.077 176.243 -0.166 1
1 156 . 20 1 1 A 22 22 PHE N N 22 116.711 116.875 -0.164 1
1 157 . 20 1 1 A 22 22 PHE H H 22 8.847 9.127 -0.280 1
1 158 . 20 1 1 A 22 22 PHE CA C 22 57.330 57.035 0.295 1
1 159 . 20 1 1 A 22 22 PHE HA H 22 4.775 5.064 -0.289 1
1 160 . 20 1 1 A 22 22 PHE CB C 22 43.939 43.961 -0.022 1
1 173 . 20 1 1 A 22 22 PHE C C 22 175.213 175.800 -0.587 1
1 174 . 20 1 1 A 23 23 ARG N N 23 120.534 120.452 0.082 1
1 175 . 20 1 1 A 23 23 ARG H H 23 9.558 9.156 0.402 1
1 176 . 20 1 1 A 23 23 ARG CA C 23 58.450 57.184 1.266 1
1 177 . 20 1 1 A 23 23 ARG HA H 23 4.579 4.580 -0.001 1
1 178 . 20 1 1 A 23 23 ARG CB C 23 31.693 31.808 -0.115 1
1 187 . 20 1 1 A 23 23 ARG C C 23 176.152 176.393 -0.241 1
1 188 . 20 1 1 A 24 24 GLN N N 24 112.058 118.099 -6.041 1
1 189 . 20 1 1 A 24 24 GLN H H 24 7.643 7.833 -0.190 1
1 190 . 20 1 1 A 24 24 GLN CA C 24 53.900 54.621 -0.721 1
1 191 . 20 1 1 A 24 24 GLN HA H 24 4.749 4.881 -0.132 1
1 192 . 20 1 1 A 24 24 GLN CB C 24 32.181 31.207 0.974 1
1 201 . 20 1 1 A 24 24 GLN C C 24 176.122 175.561 0.561 1
1 202 . 20 1 1 A 25 25 ASN CA C 25 56.267 56.222 0.045 1
1 203 . 20 1 1 A 25 25 ASN HA H 25 3.435 3.156 0.279 1
1 204 . 20 1 1 A 25 25 ASN CB C 25 37.777 37.758 0.019 1
1 210 . 20 1 1 A 25 25 ASN C C 25 177.746 176.353 1.393 1
1 211 . 20 1 1 A 26 26 ILE N N 26 115.551 119.806 -4.255 1
1 212 . 20 1 1 A 26 26 ILE H H 26 8.132 7.880 0.252 1
1 213 . 20 1 1 A 26 26 ILE CA C 26 63.728 64.089 -0.361 1
1 214 . 20 1 1 A 26 26 ILE HA H 26 3.895 3.797 0.098 1
1 215 . 20 1 1 A 26 26 ILE CB C 26 37.791 37.593 0.198 1
1 228 . 20 1 1 A 26 26 ILE C C 26 177.174 177.507 -0.333 1
1 229 . 20 1 1 A 27 27 HIS N N 27 120.664 120.779 -0.115 1
1 230 . 20 1 1 A 27 27 HIS H H 27 6.592 8.013 -1.421 1
1 231 . 20 1 1 A 27 27 HIS CA C 27 56.928 59.087 -2.159 1
1 232 . 20 1 1 A 27 27 HIS HA H 27 4.515 4.198 0.317 1
1 233 . 20 1 1 A 27 27 HIS CB C 27 31.690 30.149 1.541 1
1 240 . 20 1 1 A 27 27 HIS C C 27 178.354 176.895 1.459 1
1 241 . 20 1 1 A 28 28 LEU N N 28 122.071 120.075 1.996 1
1 242 . 20 1 1 A 28 28 LEU H H 28 6.883 7.422 -0.539 1
1 243 . 20 1 1 A 28 28 LEU CA C 28 57.620 57.455 0.165 1
1 244 . 20 1 1 A 28 28 LEU HA H 28 3.326 2.437 0.889 1
1 245 . 20 1 1 A 28 28 LEU CB C 28 40.160 41.322 -1.162 1
1 258 . 20 1 1 A 28 28 LEU C C 28 177.151 177.910 -0.759 1
1 259 . 20 1 1 A 29 29 ALA N N 29 120.705 120.626 0.079 1
1 260 . 20 1 1 A 29 29 ALA H H 29 8.279 7.732 0.547 1
1 261 . 20 1 1 A 29 29 ALA CA C 29 55.529 54.175 1.354 1
1 262 . 20 1 1 A 29 29 ALA HA H 29 3.938 4.113 -0.175 1
1 263 . 20 1 1 A 29 29 ALA CB C 29 17.758 18.347 -0.589 1
1 267 . 20 1 1 A 29 29 ALA C C 29 180.633 178.257 2.376 1
1 268 . 20 1 1 A 30 30 SER N N 30 111.186 114.262 -3.076 1
1 269 . 20 1 1 A 30 30 SER H H 30 7.532 7.599 -0.067 1
1 270 . 20 1 1 A 30 30 SER CA C 30 61.154 60.644 0.510 1
1 271 . 20 1 1 A 30 30 SER HA H 30 4.145 4.330 -0.185 1
1 272 . 20 1 1 A 30 30 SER CB C 30 62.792 63.655 -0.863 1
1 275 . 20 1 1 A 30 30 SER C C 30 176.819 175.757 1.062 1
1 276 . 20 1 1 A 31 31 HIS N N 31 122.310 121.986 0.324 1
1 277 . 20 1 1 A 31 31 HIS H H 31 7.533 7.784 -0.251 1
1 278 . 20 1 1 A 31 31 HIS CA C 31 59.375 59.256 0.119 1
1 279 . 20 1 1 A 31 31 HIS HA H 31 4.196 4.265 -0.069 1
1 280 . 20 1 1 A 31 31 HIS CB C 31 28.704 30.289 -1.585 1
1 287 . 20 1 1 A 31 31 HIS C C 31 176.094 176.822 -0.728 1
1 288 . 20 1 1 A 32 32 LEU N N 32 116.904 119.127 -2.223 1
1 289 . 20 1 1 A 32 32 LEU H H 32 8.410 8.745 -0.335 1
1 290 . 20 1 1 A 32 32 LEU CA C 32 58.179 57.928 0.251 1
1 291 . 20 1 1 A 32 32 LEU HA H 32 3.831 3.965 -0.134 1
1 292 . 20 1 1 A 32 32 LEU CB C 32 42.008 41.442 0.566 1
1 305 . 20 1 1 A 32 32 LEU C C 32 178.884 179.772 -0.888 1
1 306 . 20 1 1 A 33 33 ARG N N 33 116.036 117.397 -1.361 1
1 307 . 20 1 1 A 33 33 ARG H H 33 7.068 8.522 -1.454 1
1 308 . 20 1 1 A 33 33 ARG CA C 33 58.384 58.419 -0.035 1
1 309 . 20 1 1 A 33 33 ARG HA H 33 4.131 4.406 -0.275 1
1 310 . 20 1 1 A 33 33 ARG CB C 33 29.968 29.438 0.530 1
1 319 . 20 1 1 A 33 33 ARG C C 33 178.701 177.087 1.614 1
1 320 . 20 1 1 A 34 34 ILE N N 34 116.874 116.007 0.867 1
1 321 . 20 1 1 A 34 34 ILE H H 34 7.908 7.743 0.165 1
1 322 . 20 1 1 A 34 34 ILE CA C 34 63.093 63.181 -0.088 1
1 323 . 20 1 1 A 34 34 ILE HA H 34 3.976 3.874 0.102 1
1 324 . 20 1 1 A 34 34 ILE CB C 34 37.654 37.027 0.627 1
1 337 . 20 1 1 A 34 34 ILE C C 34 177.579 176.815 0.764 1
1 338 . 20 1 1 A 35 35 HIS N N 35 117.636 119.094 -1.458 1
1 339 . 20 1 1 A 35 35 HIS H H 35 7.228 8.072 -0.844 1
1 340 . 20 1 1 A 35 35 HIS CA C 35 55.502 57.191 -1.689 1
1 341 . 20 1 1 A 35 35 HIS HA H 35 4.849 4.517 0.332 1
1 342 . 20 1 1 A 35 35 HIS CB C 35 28.632 31.211 -2.579 1
1 349 . 20 1 1 A 35 35 HIS C C 35 175.806 175.436 0.370 1
1 350 . 20 1 1 A 36 36 THR N N 36 111.751 108.246 3.505 1
1 351 . 20 1 1 A 36 36 THR H H 36 7.810 7.484 0.326 1
1 352 . 20 1 1 A 36 36 THR CA C 36 62.645 62.440 0.205 1
1 353 . 20 1 1 A 36 36 THR HA H 36 4.344 4.286 0.058 1
1 354 . 20 1 1 A 36 36 THR CB C 36 69.842 67.826 2.016 1
1 360 . 20 1 1 A 36 36 THR C C 36 175.493 174.853 0.640 1
1 361 . 20 1 1 A 37 37 GLY N N 37 110.648 113.000 -2.352 1
1 362 . 20 1 1 A 37 37 GLY H H 37 8.229 8.782 -0.553 1
1 363 . 20 1 1 A 37 37 GLY CA C 37 45.270 46.913 -1.643 1
1 364 . 20 1 1 A 37 37 GLY HA2 H 37 4.029 3.893 0.136 1
1 365 . 20 1 1 A 37 37 GLY HA3 H 37 3.944 3.899 0.045 1
1 366 . 20 1 1 A 37 37 GLY C C 37 174.050 173.438 0.612 1
1 367 . 20 1 1 A 38 38 GLU N N 38 120.571 123.282 -2.711 1
1 368 . 20 1 1 A 38 38 GLU H H 38 8.068 8.009 0.059 1
1 369 . 20 1 1 A 38 38 GLU CA C 38 56.459 55.383 1.076 1
1 370 . 20 1 1 A 38 38 GLU HA H 38 4.245 5.006 -0.761 1
1 371 . 20 1 1 A 38 38 GLU CB C 38 30.556 32.828 -2.272 1
1 377 . 20 1 1 A 38 38 GLU C C 38 176.194 174.523 1.671 1
1 378 . 20 1 1 A 39 39 LYS N N 39 123.762 125.805 -2.043 1
1 379 . 20 1 1 A 39 39 LYS H H 39 8.404 8.729 -0.325 1
1 380 . 20 1 1 A 39 39 LYS CA C 39 54.107 52.716 1.391 1
1 381 . 20 1 1 A 39 39 LYS HA H 39 4.607 4.863 -0.256 1
1 382 . 20 1 1 A 39 39 LYS CB C 39 32.501 35.026 -2.525 1
1 394 . 20 1 1 A 39 39 LYS C C 39 174.460 174.181 0.279 1
1 395 . 20 1 1 A 40 40 PRO CA C 40 63.205 62.877 0.328 1
1 396 . 20 1 1 A 40 40 PRO HA H 40 4.462 4.508 -0.046 1
1 397 . 20 1 1 A 40 40 PRO CB C 40 32.180 32.224 -0.044 1
1 406 . 20 1 1 A 42 42 GLY CA C 42 44.664 45.008 -0.344 1
1 407 . 20 1 1 A 42 42 GLY HA2 H 42 4.110 4.089 0.021 1
1 408 . 20 1 1 A 42 42 GLY HA3 H 42 4.157 4.089 0.068 1
1 409 . 20 1 1 A 43 43 PRO CA C 43 63.253 62.720 0.533 1
1 410 . 20 1 1 A 43 43 PRO HA H 43 4.472 4.684 -0.212 1
1 411 . 20 1 1 A 43 43 PRO CB C 43 32.202 31.663 0.539 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 31 0.907 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.363 1
3 1 1 1 "RMS(OBS, PRED)" CB 30 1.159 1
4 1 1 1 "RMS(OBS, PRED)" H 28 0.511 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.340 1
6 1 1 1 "RMS(OBS, PRED)" N 28 2.908 1
7 1 2 1 "RMS(OBS, PRED)" C 31 1.106 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.489 1
9 1 2 1 "RMS(OBS, PRED)" CB 30 1.364 1
10 1 2 1 "RMS(OBS, PRED)" H 28 0.498 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.385 1
12 1 2 1 "RMS(OBS, PRED)" N 28 2.808 1
13 1 3 1 "RMS(OBS, PRED)" C 31 0.910 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.046 1
15 1 3 1 "RMS(OBS, PRED)" CB 30 1.234 1
16 1 3 1 "RMS(OBS, PRED)" H 28 0.646 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.360 1
18 1 3 1 "RMS(OBS, PRED)" N 28 2.703 1
19 1 4 1 "RMS(OBS, PRED)" C 31 0.952 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.321 1
21 1 4 1 "RMS(OBS, PRED)" CB 30 1.156 1
22 1 4 1 "RMS(OBS, PRED)" H 28 0.527 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.353 1
24 1 4 1 "RMS(OBS, PRED)" N 28 2.970 1
25 1 5 1 "RMS(OBS, PRED)" C 31 0.937 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.362 1
27 1 5 1 "RMS(OBS, PRED)" CB 30 1.210 1
28 1 5 1 "RMS(OBS, PRED)" H 28 0.556 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.333 1
30 1 5 1 "RMS(OBS, PRED)" N 28 2.599 1
31 1 6 1 "RMS(OBS, PRED)" C 31 0.967 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.158 1
33 1 6 1 "RMS(OBS, PRED)" CB 30 1.358 1
34 1 6 1 "RMS(OBS, PRED)" H 28 0.586 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.341 1
36 1 6 1 "RMS(OBS, PRED)" N 28 2.567 1
37 1 7 1 "RMS(OBS, PRED)" C 31 0.931 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.241 1
39 1 7 1 "RMS(OBS, PRED)" CB 30 1.456 1
40 1 7 1 "RMS(OBS, PRED)" H 28 0.577 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.333 1
42 1 7 1 "RMS(OBS, PRED)" N 28 2.501 1
43 1 8 1 "RMS(OBS, PRED)" C 31 1.025 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.097 1
45 1 8 1 "RMS(OBS, PRED)" CB 30 1.228 1
46 1 8 1 "RMS(OBS, PRED)" H 28 0.566 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.302 1
48 1 8 1 "RMS(OBS, PRED)" N 28 2.919 1
49 1 9 1 "RMS(OBS, PRED)" C 31 0.991 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.297 1
51 1 9 1 "RMS(OBS, PRED)" CB 30 1.031 1
52 1 9 1 "RMS(OBS, PRED)" H 28 0.539 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.293 1
54 1 9 1 "RMS(OBS, PRED)" N 28 2.959 1
55 1 10 1 "RMS(OBS, PRED)" C 31 0.875 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.111 1
57 1 10 1 "RMS(OBS, PRED)" CB 30 1.132 1
58 1 10 1 "RMS(OBS, PRED)" H 28 0.582 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 28 2.192 1
61 1 11 1 "RMS(OBS, PRED)" C 31 0.986 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.218 1
63 1 11 1 "RMS(OBS, PRED)" CB 30 1.280 1
64 1 11 1 "RMS(OBS, PRED)" H 28 0.581 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.369 1
66 1 11 1 "RMS(OBS, PRED)" N 28 2.787 1
67 1 12 1 "RMS(OBS, PRED)" C 31 0.867 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.177 1
69 1 12 1 "RMS(OBS, PRED)" CB 30 1.212 1
70 1 12 1 "RMS(OBS, PRED)" H 28 0.555 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.320 1
72 1 12 1 "RMS(OBS, PRED)" N 28 3.107 1
73 1 13 1 "RMS(OBS, PRED)" C 31 0.909 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.044 1
75 1 13 1 "RMS(OBS, PRED)" CB 30 1.237 1
76 1 13 1 "RMS(OBS, PRED)" H 28 0.551 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.295 1
78 1 13 1 "RMS(OBS, PRED)" N 28 2.598 1
79 1 14 1 "RMS(OBS, PRED)" C 31 0.908 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.137 1
81 1 14 1 "RMS(OBS, PRED)" CB 30 1.256 1
82 1 14 1 "RMS(OBS, PRED)" H 28 0.560 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.327 1
84 1 14 1 "RMS(OBS, PRED)" N 28 2.499 1
85 1 15 1 "RMS(OBS, PRED)" C 31 1.042 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.232 1
87 1 15 1 "RMS(OBS, PRED)" CB 30 1.337 1
88 1 15 1 "RMS(OBS, PRED)" H 28 0.538 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.305 1
90 1 15 1 "RMS(OBS, PRED)" N 28 2.647 1
91 1 16 1 "RMS(OBS, PRED)" C 31 0.967 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.212 1
93 1 16 1 "RMS(OBS, PRED)" CB 30 1.212 1
94 1 16 1 "RMS(OBS, PRED)" H 28 0.506 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.276 1
96 1 16 1 "RMS(OBS, PRED)" N 28 2.413 1
97 1 17 1 "RMS(OBS, PRED)" C 31 1.083 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.493 1
99 1 17 1 "RMS(OBS, PRED)" CB 30 1.435 1
100 1 17 1 "RMS(OBS, PRED)" H 28 0.481 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.312 1
102 1 17 1 "RMS(OBS, PRED)" N 28 2.677 1
103 1 18 1 "RMS(OBS, PRED)" C 31 1.006 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.105 1
105 1 18 1 "RMS(OBS, PRED)" CB 30 1.013 1
106 1 18 1 "RMS(OBS, PRED)" H 28 0.563 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.256 1
108 1 18 1 "RMS(OBS, PRED)" N 28 2.385 1
109 1 19 1 "RMS(OBS, PRED)" C 31 1.028 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.047 1
111 1 19 1 "RMS(OBS, PRED)" CB 30 1.357 1
112 1 19 1 "RMS(OBS, PRED)" H 28 0.548 1
113 1 19 1 "RMS(OBS, PRED)" HA 38 0.278 1
114 1 19 1 "RMS(OBS, PRED)" N 28 2.591 1
115 1 20 1 "RMS(OBS, PRED)" C 31 1.153 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 0.975 1
117 1 20 1 "RMS(OBS, PRED)" CB 30 1.320 1
118 1 20 1 "RMS(OBS, PRED)" H 28 0.591 1
119 1 20 1 "RMS(OBS, PRED)" HA 38 0.292 1
120 1 20 1 "RMS(OBS, PRED)" N 28 2.741 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 9 9 GLY CA C 9 45.191 45.406 -0.215 2
1 2 . 1 1 A 9 9 GLY HA2 H 9 3.910 4.072 -0.163 2
1 3 . 1 1 A 9 9 GLY HA3 H 9 3.910 4.077 -0.167 2
1 4 . 1 1 A 9 9 GLY C C 9 174.087 173.577 0.510 2
1 5 . 1 1 A 10 10 GLU N N 10 120.188 121.598 -1.410 2
1 6 . 1 1 A 10 10 GLU H H 10 8.196 8.547 -0.351 2
1 7 . 1 1 A 10 10 GLU CA C 10 56.995 56.335 0.660 2
1 8 . 1 1 A 10 10 GLU HA H 10 4.167 4.599 -0.432 2
1 9 . 1 1 A 10 10 GLU CB C 10 30.393 30.727 -0.334 2
1 15 . 1 1 A 10 10 GLU C C 10 176.271 175.816 0.455 2
1 16 . 1 1 A 11 11 LYS N N 11 120.905 122.269 -1.365 2
1 17 . 1 1 A 11 11 LYS H H 11 8.243 8.009 0.234 2
1 18 . 1 1 A 11 11 LYS CA C 11 53.823 53.643 0.180 2
1 19 . 1 1 A 11 11 LYS HA H 11 4.538 4.752 -0.214 2
1 20 . 1 1 A 11 11 LYS CB C 11 33.303 33.379 -0.076 2
1 32 . 1 1 A 11 11 LYS C C 11 173.935 176.005 -2.070 2
1 33 . 1 1 A 12 12 PRO CA C 12 63.584 64.695 -1.111 2
1 34 . 1 1 A 12 12 PRO HA H 12 4.263 4.357 -0.094 2
1 35 . 1 1 A 12 12 PRO CB C 12 32.345 31.750 0.595 2
1 44 . 1 1 A 12 12 PRO C C 12 176.502 176.201 0.301 2
1 45 . 1 1 A 13 13 PHE N N 13 118.504 118.255 0.249 2
1 46 . 1 1 A 13 13 PHE H H 13 7.832 7.484 0.348 2
1 47 . 1 1 A 13 13 PHE CA C 13 57.518 57.460 0.058 2
1 48 . 1 1 A 13 13 PHE HA H 13 4.678 4.942 -0.264 2
1 49 . 1 1 A 13 13 PHE CB C 13 39.051 40.414 -1.363 2
1 62 . 1 1 A 13 13 PHE C C 13 174.345 174.840 -0.495 2
1 63 . 1 1 A 14 14 LYS N N 14 124.932 123.116 1.816 2
1 64 . 1 1 A 14 14 LYS H H 14 8.568 8.952 -0.384 2
1 65 . 1 1 A 14 14 LYS CA C 14 55.189 54.827 0.363 2
1 66 . 1 1 A 14 14 LYS HA H 14 4.997 5.355 -0.358 2
1 67 . 1 1 A 14 14 LYS CB C 14 35.460 36.118 -0.658 2
1 79 . 1 1 A 14 14 LYS C C 14 175.180 175.285 -0.105 2
1 80 . 1 1 A 15 15 CYS N N 15 127.244 124.688 2.556 2
1 81 . 1 1 A 15 15 CYS H H 15 9.264 9.486 -0.222 2
1 82 . 1 1 A 15 15 CYS CA C 15 59.641 59.707 -0.066 2
1 83 . 1 1 A 15 15 CYS HA H 15 4.567 4.652 -0.085 2
1 84 . 1 1 A 15 15 CYS CB C 15 29.799 28.563 1.236 2
1 87 . 1 1 A 15 15 CYS C C 15 177.766 176.057 1.709 2
1 88 . 1 1 A 16 16 LYS N N 16 132.596 127.879 4.717 2
1 89 . 1 1 A 16 16 LYS H H 16 9.452 8.968 0.484 2
1 90 . 1 1 A 16 16 LYS CA C 16 58.651 56.949 1.702 2
1 91 . 1 1 A 16 16 LYS HA H 16 4.142 4.407 -0.265 2
1 92 . 1 1 A 16 16 LYS CB C 16 32.384 32.389 -0.005 2
1 104 . 1 1 A 16 16 LYS C C 16 176.701 177.442 -0.741 2
1 105 . 1 1 A 17 17 GLU N N 17 120.589 118.617 1.972 2
1 106 . 1 1 A 17 17 GLU H H 17 8.832 7.828 1.004 2
1 107 . 1 1 A 17 17 GLU CA C 17 57.941 57.486 0.455 2
1 108 . 1 1 A 17 17 GLU HA H 17 4.228 4.351 -0.122 2
1 109 . 1 1 A 17 17 GLU CB C 17 29.158 31.003 -1.845 2
1 115 . 1 1 A 17 17 GLU C C 17 177.504 177.935 -0.431 2
1 116 . 1 1 A 18 18 CYS N N 18 115.823 114.728 1.095 2
1 117 . 1 1 A 18 18 CYS H H 18 8.345 8.019 0.326 2
1 118 . 1 1 A 18 18 CYS CA C 18 58.442 59.636 -1.194 2
1 119 . 1 1 A 18 18 CYS HA H 18 5.196 4.692 0.504 2
1 120 . 1 1 A 18 18 CYS CB C 18 32.566 29.888 2.678 2
1 123 . 1 1 A 18 18 CYS C C 18 176.419 175.517 0.902 2
1 124 . 1 1 A 19 19 GLY N N 19 113.312 109.990 3.322 2
1 125 . 1 1 A 19 19 GLY H H 19 8.066 8.004 0.062 2
1 126 . 1 1 A 19 19 GLY CA C 19 46.235 45.047 1.188 2
1 127 . 1 1 A 19 19 GLY HA2 H 19 3.778 4.060 -0.282 2
1 128 . 1 1 A 19 19 GLY HA3 H 19 4.257 4.074 0.183 2
1 129 . 1 1 A 19 19 GLY C C 19 173.644 174.527 -0.883 2
1 130 . 1 1 A 20 20 LYS N N 20 123.577 122.331 1.246 2
1 131 . 1 1 A 20 20 LYS H H 20 7.997 7.535 0.462 2
1 132 . 1 1 A 20 20 LYS CA C 20 58.469 56.102 2.367 2
1 133 . 1 1 A 20 20 LYS HA H 20 3.908 4.124 -0.216 2
1 134 . 1 1 A 20 20 LYS CB C 20 33.466 33.177 0.289 2
1 146 . 1 1 A 20 20 LYS C C 20 173.507 175.373 -1.866 2
1 147 . 1 1 A 21 21 ALA N N 21 124.329 126.658 -2.329 2
1 148 . 1 1 A 21 21 ALA H H 21 7.783 8.089 -0.306 2
1 149 . 1 1 A 21 21 ALA CA C 21 50.334 50.110 0.224 2
1 150 . 1 1 A 21 21 ALA HA H 21 5.185 5.377 -0.192 2
1 151 . 1 1 A 21 21 ALA CB C 21 22.524 22.244 0.280 2
1 155 . 1 1 A 21 21 ALA C C 21 176.077 175.732 0.345 2
1 156 . 1 1 A 22 22 PHE N N 22 116.711 116.827 -0.116 2
1 157 . 1 1 A 22 22 PHE H H 22 8.847 8.995 -0.148 2
1 158 . 1 1 A 22 22 PHE CA C 22 57.330 56.702 0.628 2
1 159 . 1 1 A 22 22 PHE HA H 22 4.775 5.006 -0.232 2
1 160 . 1 1 A 22 22 PHE CB C 22 43.939 43.756 0.183 2
1 173 . 1 1 A 22 22 PHE C C 22 175.213 175.665 -0.452 2
1 174 . 1 1 A 23 23 ARG N N 23 120.534 120.894 -0.360 2
1 175 . 1 1 A 23 23 ARG H H 23 9.558 8.977 0.581 2
1 176 . 1 1 A 23 23 ARG CA C 23 58.450 57.214 1.236 2
1 177 . 1 1 A 23 23 ARG HA H 23 4.579 4.599 -0.020 2
1 178 . 1 1 A 23 23 ARG CB C 23 31.693 31.692 0.001 2
1 187 . 1 1 A 23 23 ARG C C 23 176.152 176.222 -0.070 2
1 188 . 1 1 A 24 24 GLN N N 24 112.058 117.626 -5.568 2
1 189 . 1 1 A 24 24 GLN H H 24 7.643 7.741 -0.098 2
1 190 . 1 1 A 24 24 GLN CA C 24 53.900 54.358 -0.458 2
1 191 . 1 1 A 24 24 GLN HA H 24 4.749 4.755 -0.006 2
1 192 . 1 1 A 24 24 GLN CB C 24 32.181 31.374 0.807 2
1 201 . 1 1 A 24 24 GLN C C 24 176.122 175.728 0.394 2
1 202 . 1 1 A 25 25 ASN CA C 25 56.267 55.560 0.707 2
1 203 . 1 1 A 25 25 ASN HA H 25 3.435 3.172 0.263 2
1 204 . 1 1 A 25 25 ASN CB C 25 37.777 37.511 0.266 2
1 210 . 1 1 A 25 25 ASN C C 25 177.746 176.951 0.795 2
1 211 . 1 1 A 26 26 ILE N N 26 115.551 120.747 -5.196 2
1 212 . 1 1 A 26 26 ILE H H 26 8.132 7.869 0.263 2
1 213 . 1 1 A 26 26 ILE CA C 26 63.728 63.843 -0.115 2
1 214 . 1 1 A 26 26 ILE HA H 26 3.895 3.753 0.142 2
1 215 . 1 1 A 26 26 ILE CB C 26 37.791 37.697 0.094 2
1 228 . 1 1 A 26 26 ILE C C 26 177.174 177.519 -0.345 2
1 229 . 1 1 A 27 27 HIS N N 27 120.664 120.767 -0.103 2
1 230 . 1 1 A 27 27 HIS H H 27 6.592 7.845 -1.253 2
1 231 . 1 1 A 27 27 HIS CA C 27 56.928 59.560 -2.632 2
1 232 . 1 1 A 27 27 HIS HA H 27 4.515 4.258 0.257 2
1 233 . 1 1 A 27 27 HIS CB C 27 31.690 30.021 1.669 2
1 240 . 1 1 A 27 27 HIS C C 27 178.354 177.255 1.099 2
1 241 . 1 1 A 28 28 LEU N N 28 122.071 120.278 1.793 2
1 242 . 1 1 A 28 28 LEU H H 28 6.883 7.413 -0.530 2
1 243 . 1 1 A 28 28 LEU CA C 28 57.620 57.292 0.328 2
1 244 . 1 1 A 28 28 LEU HA H 28 3.326 2.244 1.082 2
1 245 . 1 1 A 28 28 LEU CB C 28 40.160 41.147 -0.987 2
1 258 . 1 1 A 28 28 LEU C C 28 177.151 177.898 -0.747 2
1 259 . 1 1 A 29 29 ALA N N 29 120.705 120.748 -0.043 2
1 260 . 1 1 A 29 29 ALA H H 29 8.279 8.027 0.252 2
1 261 . 1 1 A 29 29 ALA CA C 29 55.529 54.825 0.704 2
1 262 . 1 1 A 29 29 ALA HA H 29 3.938 4.011 -0.073 2
1 263 . 1 1 A 29 29 ALA CB C 29 17.758 17.995 -0.237 2
1 267 . 1 1 A 29 29 ALA C C 29 180.633 179.800 0.833 2
1 268 . 1 1 A 30 30 SER N N 30 111.186 113.542 -2.356 2
1 269 . 1 1 A 30 30 SER H H 30 7.532 7.707 -0.174 2
1 270 . 1 1 A 30 30 SER CA C 30 61.154 60.688 0.466 2
1 271 . 1 1 A 30 30 SER HA H 30 4.145 4.215 -0.070 2
1 272 . 1 1 A 30 30 SER CB C 30 62.792 63.005 -0.213 2
1 275 . 1 1 A 30 30 SER C C 30 176.819 176.477 0.342 2
1 276 . 1 1 A 31 31 HIS N N 31 122.310 121.328 0.982 2
1 277 . 1 1 A 31 31 HIS H H 31 7.533 7.818 -0.285 2
1 278 . 1 1 A 31 31 HIS CA C 31 59.375 59.461 -0.086 2
1 279 . 1 1 A 31 31 HIS HA H 31 4.196 4.307 -0.111 2
1 280 . 1 1 A 31 31 HIS CB C 31 28.704 30.230 -1.526 2
1 287 . 1 1 A 31 31 HIS C C 31 176.094 177.117 -1.023 2
1 288 . 1 1 A 32 32 LEU N N 32 116.904 119.362 -2.458 2
1 289 . 1 1 A 32 32 LEU H H 32 8.410 8.650 -0.240 2
1 290 . 1 1 A 32 32 LEU CA C 32 58.179 57.893 0.286 2
1 291 . 1 1 A 32 32 LEU HA H 32 3.831 3.928 -0.097 2
1 292 . 1 1 A 32 32 LEU CB C 32 42.008 41.520 0.488 2
1 305 . 1 1 A 32 32 LEU C C 32 178.884 179.374 -0.490 2
1 306 . 1 1 A 33 33 ARG N N 33 116.036 118.375 -2.339 2
1 307 . 1 1 A 33 33 ARG H H 33 7.068 8.341 -1.273 2
1 308 . 1 1 A 33 33 ARG CA C 33 58.384 59.209 -0.825 2
1 309 . 1 1 A 33 33 ARG HA H 33 4.131 4.130 0.001 2
1 310 . 1 1 A 33 33 ARG CB C 33 29.968 29.935 0.033 2
1 319 . 1 1 A 33 33 ARG C C 33 178.701 178.433 0.268 2
1 320 . 1 1 A 34 34 ILE N N 34 116.874 116.807 0.067 2
1 321 . 1 1 A 34 34 ILE H H 34 7.908 7.900 0.008 2
1 322 . 1 1 A 34 34 ILE CA C 34 63.093 63.595 -0.502 2
1 323 . 1 1 A 34 34 ILE HA H 34 3.976 3.786 0.190 2
1 324 . 1 1 A 34 34 ILE CB C 34 37.654 37.278 0.376 2
1 337 . 1 1 A 34 34 ILE C C 34 177.579 177.169 0.410 2
1 338 . 1 1 A 35 35 HIS N N 35 117.636 119.686 -2.050 2
1 339 . 1 1 A 35 35 HIS H H 35 7.228 7.853 -0.625 2
1 340 . 1 1 A 35 35 HIS CA C 35 55.502 58.233 -2.731 2
1 341 . 1 1 A 35 35 HIS HA H 35 4.849 4.464 0.385 2
1 342 . 1 1 A 35 35 HIS CB C 35 28.632 31.116 -2.484 2
1 349 . 1 1 A 35 35 HIS C C 35 175.806 175.967 -0.161 2
1 350 . 1 1 A 36 36 THR N N 36 111.751 111.784 -0.033 2
1 351 . 1 1 A 36 36 THR H H 36 7.810 7.793 0.016 2
1 352 . 1 1 A 36 36 THR CA C 36 62.645 61.921 0.724 2
1 353 . 1 1 A 36 36 THR HA H 36 4.344 4.344 -0.000 2
1 354 . 1 1 A 36 36 THR CB C 36 69.842 69.096 0.746 2
1 360 . 1 1 A 36 36 THR C C 36 175.493 174.776 0.717 2
1 361 . 1 1 A 37 37 GLY N N 37 110.648 111.607 -0.959 2
1 362 . 1 1 A 37 37 GLY H H 37 8.229 8.277 -0.048 2
1 363 . 1 1 A 37 37 GLY CA C 37 45.270 45.700 -0.430 2
1 364 . 1 1 A 37 37 GLY HA2 H 37 4.029 4.038 -0.009 2
1 365 . 1 1 A 37 37 GLY HA3 H 37 3.944 4.043 -0.099 2
1 366 . 1 1 A 37 37 GLY C C 37 174.050 173.829 0.221 2
1 367 . 1 1 A 38 38 GLU N N 38 120.571 121.115 -0.544 2
1 368 . 1 1 A 38 38 GLU H H 38 8.068 8.297 -0.229 2
1 369 . 1 1 A 38 38 GLU CA C 38 56.459 55.933 0.526 2
1 370 . 1 1 A 38 38 GLU HA H 38 4.245 4.568 -0.323 2
1 371 . 1 1 A 38 38 GLU CB C 38 30.556 30.917 -0.361 2
1 377 . 1 1 A 38 38 GLU C C 38 176.194 175.622 0.572 2
1 378 . 1 1 A 39 39 LYS N N 39 123.762 122.154 1.608 2
1 379 . 1 1 A 39 39 LYS H H 39 8.404 8.303 0.101 2
1 380 . 1 1 A 39 39 LYS CA C 39 54.107 53.984 0.123 2
1 381 . 1 1 A 39 39 LYS HA H 39 4.607 4.685 -0.078 2
1 382 . 1 1 A 39 39 LYS CB C 39 32.501 34.024 -1.523 2
1 394 . 1 1 A 39 39 LYS C C 39 174.460 175.287 -0.827 2
1 395 . 1 1 A 40 40 PRO CA C 40 63.205 63.453 -0.248 2
1 396 . 1 1 A 40 40 PRO HA H 40 4.462 4.553 -0.091 2
1 397 . 1 1 A 40 40 PRO CB C 40 32.180 31.910 0.270 2
1 406 . 1 1 A 42 42 GLY CA C 42 44.664 45.268 -0.604 2
1 407 . 1 1 A 42 42 GLY HA2 H 42 4.110 4.122 -0.012 2
1 408 . 1 1 A 42 42 GLY HA3 H 42 4.157 4.124 0.033 2
1 409 . 1 1 A 43 43 PRO CA C 43 63.253 63.245 0.008 2
1 410 . 1 1 A 43 43 PRO HA H 43 4.472 4.564 -0.092 2
1 411 . 1 1 A 43 43 PRO CB C 43 32.202 32.183 0.019 2
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