data_11036_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11036
_Entry.PDB_ID 2RO1
_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 2 2 ALA CA C 625 52.969 51.357 1.612 1
1 2 . 1 1 1 A 2 2 ALA HA H 625 4.493 4.670 -0.177 1
1 3 . 1 1 1 A 2 2 ALA CB C 625 19.272 20.865 -1.593 1
1 7 . 1 1 1 A 3 3 THR N N 626 113.570 115.282 -1.712 1
1 8 . 1 1 1 A 3 3 THR H H 626 8.176 8.917 -0.741 1
1 9 . 1 1 1 A 3 3 THR CA C 626 61.314 67.013 -5.699 1
1 10 . 1 1 1 A 3 3 THR HA H 626 4.298 3.949 0.349 1
1 11 . 1 1 1 A 3 3 THR CB C 626 69.270 68.977 0.293 1
1 17 . 1 1 1 A 4 4 ILE N N 627 115.272 119.178 -3.906 1
1 18 . 1 1 1 A 4 4 ILE H H 627 7.549 7.907 -0.358 1
1 19 . 1 1 1 A 4 4 ILE CA C 627 58.731 61.709 -2.978 1
1 20 . 1 1 1 A 4 4 ILE HA H 627 4.258 3.834 0.424 1
1 21 . 1 1 1 A 4 4 ILE CB C 627 42.246 36.158 6.088 1
1 34 . 1 1 1 A 5 5 CYS N N 628 124.095 125.045 -0.950 1
1 35 . 1 1 1 A 5 5 CYS H H 628 7.766 8.591 -0.825 1
1 36 . 1 1 1 A 5 5 CYS CA C 628 57.978 57.819 0.159 1
1 37 . 1 1 1 A 5 5 CYS HA H 628 3.781 4.690 -0.909 1
1 38 . 1 1 1 A 5 5 CYS CB C 628 31.436 26.187 5.249 1
1 41 . 1 1 1 A 6 6 ARG N N 629 129.928 127.659 2.269 1
1 42 . 1 1 1 A 6 6 ARG H H 629 9.040 8.451 0.589 1
1 43 . 1 1 1 A 6 6 ARG CA C 629 57.514 59.345 -1.831 1
1 44 . 1 1 1 A 6 6 ARG HA H 629 3.900 3.664 0.236 1
1 45 . 1 1 1 A 6 6 ARG CB C 629 30.251 29.296 0.955 1
1 54 . 1 1 1 A 7 7 VAL N N 630 118.166 118.884 -0.718 1
1 55 . 1 1 1 A 7 7 VAL H H 630 8.734 7.634 1.100 1
1 56 . 1 1 1 A 7 7 VAL CA C 630 65.770 66.475 -0.705 1
1 57 . 1 1 1 A 7 7 VAL HA H 630 4.137 3.735 0.402 1
1 58 . 1 1 1 A 7 7 VAL CB C 630 33.079 31.588 1.491 1
1 68 . 1 1 1 A 8 8 CYS N N 631 116.148 118.463 -2.315 1
1 69 . 1 1 1 A 8 8 CYS H H 631 8.143 7.653 0.490 1
1 70 . 1 1 1 A 8 8 CYS CA C 631 59.154 62.513 -3.359 1
1 71 . 1 1 1 A 8 8 CYS HA H 631 5.105 4.249 0.856 1
1 72 . 1 1 1 A 8 8 CYS CB C 631 31.184 27.927 3.257 1
1 75 . 1 1 1 A 9 9 GLN N N 632 115.248 116.663 -1.415 1
1 76 . 1 1 1 A 9 9 GLN H H 632 8.132 8.708 -0.576 1
1 77 . 1 1 1 A 9 9 GLN CA C 632 57.404 57.140 0.264 1
1 78 . 1 1 1 A 9 9 GLN HA H 632 4.068 3.860 0.208 1
1 79 . 1 1 1 A 9 9 GLN CB C 632 26.002 25.903 0.099 1
1 88 . 1 1 1 A 10 10 LYS N N 633 118.420 118.548 -0.128 1
1 89 . 1 1 1 A 10 10 LYS H H 633 8.091 7.733 0.358 1
1 90 . 1 1 1 A 10 10 LYS CA C 633 53.835 52.625 1.210 1
1 91 . 1 1 1 A 10 10 LYS HA H 633 5.046 4.734 0.312 1
1 92 . 1 1 1 A 10 10 LYS CB C 633 33.312 33.925 -0.613 1
1 102 . 1 1 1 A 11 11 PRO CA C 634 62.136 63.302 -1.166 1
1 103 . 1 1 1 A 11 11 PRO HA H 634 5.056 4.497 0.559 1
1 104 . 1 1 1 A 11 11 PRO CB C 634 33.061 33.055 0.006 1
1 112 . 1 1 1 A 12 12 GLY N N 635 106.958 107.680 -0.722 1
1 113 . 1 1 1 A 12 12 GLY H H 635 8.475 8.111 0.364 1
1 114 . 1 1 1 A 12 12 GLY CA C 635 45.303 45.447 -0.144 1
1 115 . 1 1 1 A 12 12 GLY HA3 H 635 3.812 4.357 -0.545 1
1 116 . 1 1 1 A 12 12 GLY HA2 H 635 4.438 4.278 0.160 1
1 117 . 1 1 1 A 13 13 ASP N N 636 124.001 123.215 0.786 1
1 118 . 1 1 1 A 13 13 ASP H H 636 8.729 8.565 0.164 1
1 119 . 1 1 1 A 13 13 ASP CA C 636 54.239 52.993 1.246 1
1 120 . 1 1 1 A 13 13 ASP HA H 636 4.656 4.753 -0.097 1
1 121 . 1 1 1 A 13 13 ASP CB C 636 39.425 39.194 0.231 1
1 124 . 1 1 1 A 14 14 LEU N N 637 121.435 121.234 0.201 1
1 125 . 1 1 1 A 14 14 LEU H H 637 7.849 7.508 0.341 1
1 126 . 1 1 1 A 14 14 LEU CA C 637 53.306 54.840 -1.534 1
1 127 . 1 1 1 A 14 14 LEU HA H 637 4.546 4.650 -0.104 1
1 128 . 1 1 1 A 14 14 LEU CB C 637 44.117 42.094 2.023 1
1 141 . 1 1 1 A 15 15 VAL N N 638 118.100 121.254 -3.154 1
1 142 . 1 1 1 A 15 15 VAL H H 638 8.703 8.782 -0.079 1
1 143 . 1 1 1 A 15 15 VAL CA C 638 59.865 60.407 -0.542 1
1 144 . 1 1 1 A 15 15 VAL HA H 638 4.383 4.845 -0.462 1
1 145 . 1 1 1 A 15 15 VAL CB C 638 33.305 34.045 -0.740 1
1 155 . 1 1 1 A 16 16 MET N N 639 125.271 128.662 -3.391 1
1 156 . 1 1 1 A 16 16 MET H H 639 8.519 9.094 -0.575 1
1 157 . 1 1 1 A 16 16 MET CA C 639 54.122 55.262 -1.140 1
1 158 . 1 1 1 A 16 16 MET HA H 639 5.210 4.867 0.343 1
1 159 . 1 1 1 A 16 16 MET CB C 639 36.310 33.264 3.046 1
1 169 . 1 1 1 A 17 17 CYS N N 640 129.455 122.899 6.556 1
1 170 . 1 1 1 A 17 17 CYS H H 640 9.139 8.810 0.329 1
1 171 . 1 1 1 A 17 17 CYS CA C 640 59.996 59.743 0.253 1
1 172 . 1 1 1 A 17 17 CYS HA H 640 4.658 4.406 0.252 1
1 173 . 1 1 1 A 17 17 CYS CB C 640 31.238 28.621 2.617 1
1 176 . 1 1 1 A 18 18 ASN N N 641 128.271 126.626 1.645 1
1 177 . 1 1 1 A 18 18 ASN H H 641 8.914 9.268 -0.354 1
1 178 . 1 1 1 A 18 18 ASN CA C 641 55.658 55.593 0.065 1
1 179 . 1 1 1 A 18 18 ASN HA H 641 4.584 4.417 0.167 1
1 180 . 1 1 1 A 18 18 ASN CB C 641 38.955 38.497 0.458 1
1 186 . 1 1 1 A 19 19 GLN N N 642 121.426 115.473 5.953 1
1 187 . 1 1 1 A 19 19 GLN H H 642 9.313 7.942 1.371 1
1 188 . 1 1 1 A 19 19 GLN CA C 642 57.971 56.403 1.568 1
1 189 . 1 1 1 A 19 19 GLN HA H 642 4.502 4.519 -0.017 1
1 190 . 1 1 1 A 19 19 GLN CB C 642 30.466 31.137 -0.671 1
1 197 . 1 1 1 A 20 20 CYS N N 643 120.207 114.726 5.481 1
1 198 . 1 1 1 A 20 20 CYS H H 643 8.542 7.839 0.703 1
1 199 . 1 1 1 A 20 20 CYS CA C 643 59.473 57.962 1.511 1
1 200 . 1 1 1 A 20 20 CYS HA H 643 4.663 4.721 -0.058 1
1 201 . 1 1 1 A 20 20 CYS CB C 643 31.889 28.151 3.738 1
1 204 . 1 1 1 A 21 21 GLU N N 644 114.113 115.066 -0.953 1
1 205 . 1 1 1 A 21 21 GLU H H 644 7.441 8.110 -0.669 1
1 206 . 1 1 1 A 21 21 GLU CA C 644 57.994 58.080 -0.086 1
1 207 . 1 1 1 A 21 21 GLU HA H 644 4.285 4.042 0.243 1
1 208 . 1 1 1 A 21 21 GLU CB C 644 26.843 27.724 -0.881 1
1 214 . 1 1 1 A 22 22 PHE N N 645 120.911 119.702 1.209 1
1 215 . 1 1 1 A 22 22 PHE H H 645 8.941 8.191 0.750 1
1 216 . 1 1 1 A 22 22 PHE CA C 645 57.356 58.103 -0.747 1
1 217 . 1 1 1 A 22 22 PHE HA H 645 4.777 4.577 0.200 1
1 218 . 1 1 1 A 22 22 PHE CB C 645 38.709 38.771 -0.062 1
1 226 . 1 1 1 A 23 23 CYS N N 646 115.830 124.904 -9.074 1
1 227 . 1 1 1 A 23 23 CYS H H 646 8.137 8.500 -0.363 1
1 228 . 1 1 1 A 23 23 CYS CA C 646 56.600 58.313 -1.713 1
1 229 . 1 1 1 A 23 23 CYS HA H 646 5.813 6.322 -0.509 1
1 230 . 1 1 1 A 23 23 CYS CB C 646 30.951 29.165 1.786 1
1 233 . 1 1 1 A 24 24 PHE N N 647 116.053 120.696 -4.643 1
1 234 . 1 1 1 A 24 24 PHE H H 647 9.011 8.663 0.348 1
1 235 . 1 1 1 A 24 24 PHE CA C 647 56.827 56.952 -0.125 1
1 236 . 1 1 1 A 24 24 PHE HA H 647 5.910 4.849 1.061 1
1 237 . 1 1 1 A 24 24 PHE CB C 647 44.608 43.088 1.520 1
1 246 . 1 1 1 A 25 25 HIS N N 648 120.957 121.887 -0.930 1
1 247 . 1 1 1 A 25 25 HIS H H 648 8.427 9.122 -0.695 1
1 248 . 1 1 1 A 25 25 HIS CA C 648 58.971 57.001 1.970 1
1 249 . 1 1 1 A 25 25 HIS HA H 648 4.929 4.400 0.529 1
1 250 . 1 1 1 A 25 25 HIS CB C 648 31.178 29.823 1.355 1
1 257 . 1 1 1 A 26 26 LEU N N 649 123.176 117.169 6.007 1
1 258 . 1 1 1 A 26 26 LEU H H 649 9.369 8.077 1.292 1
1 259 . 1 1 1 A 26 26 LEU CA C 649 59.646 57.621 2.025 1
1 260 . 1 1 1 A 26 26 LEU HA H 649 3.829 3.735 0.094 1
1 261 . 1 1 1 A 26 26 LEU CB C 649 39.426 40.256 -0.830 1
1 274 . 1 1 1 A 27 27 ASP N N 650 109.058 118.353 -9.295 1
1 275 . 1 1 1 A 27 27 ASP H H 650 8.326 9.302 -0.976 1
1 276 . 1 1 1 A 27 27 ASP CA C 650 53.998 56.866 -2.868 1
1 277 . 1 1 1 A 27 27 ASP HA H 650 4.739 4.358 0.381 1
1 278 . 1 1 1 A 27 27 ASP CB C 650 40.331 40.015 0.316 1
1 280 . 1 1 1 A 28 28 CYS N N 651 117.495 116.100 1.395 1
1 281 . 1 1 1 A 28 28 CYS H H 651 7.480 8.100 -0.620 1
1 282 . 1 1 1 A 28 28 CYS CA C 651 61.534 61.867 -0.333 1
1 283 . 1 1 1 A 28 28 CYS HA H 651 4.245 4.726 -0.481 1
1 284 . 1 1 1 A 28 28 CYS CB C 651 31.646 28.092 3.554 1
1 286 . 1 1 1 A 29 29 HIS N N 652 116.384 122.634 -6.250 1
1 287 . 1 1 1 A 29 29 HIS H H 652 6.894 7.824 -0.930 1
1 288 . 1 1 1 A 29 29 HIS CA C 652 59.713 57.744 1.969 1
1 289 . 1 1 1 A 29 29 HIS HA H 652 3.644 4.721 -1.077 1
1 290 . 1 1 1 A 29 29 HIS CB C 652 27.909 30.530 -2.621 1
1 296 . 1 1 1 A 30 30 LEU N N 653 121.110 126.254 -5.144 1
1 297 . 1 1 1 A 30 30 LEU H H 653 4.525 8.316 -3.791 1
1 298 . 1 1 1 A 30 30 LEU CA C 653 51.439 59.153 -7.714 1
1 299 . 1 1 1 A 30 30 LEU HA H 653 4.515 2.959 1.556 1
1 300 . 1 1 1 A 30 30 LEU CB C 653 46.001 40.660 5.341 1
1 312 . 1 1 1 A 31 31 PRO CA C 654 62.964 63.485 -0.521 1
1 313 . 1 1 1 A 31 31 PRO HA H 654 4.471 4.441 0.030 1
1 314 . 1 1 1 A 31 31 PRO CB C 654 34.045 32.416 1.629 1
1 322 . 1 1 1 A 32 32 ALA N N 655 125.871 119.894 5.977 1
1 323 . 1 1 1 A 32 32 ALA H H 655 8.766 8.231 0.535 1
1 324 . 1 1 1 A 32 32 ALA CA C 655 52.771 53.088 -0.317 1
1 325 . 1 1 1 A 32 32 ALA HA H 655 4.349 4.757 -0.408 1
1 326 . 1 1 1 A 32 32 ALA CB C 655 18.177 18.156 0.021 1
1 330 . 1 1 1 A 33 33 LEU N N 656 123.348 123.295 0.053 1
1 331 . 1 1 1 A 33 33 LEU H H 656 8.230 8.983 -0.753 1
1 332 . 1 1 1 A 33 33 LEU CA C 656 54.014 54.759 -0.745 1
1 333 . 1 1 1 A 33 33 LEU HA H 656 4.445 4.257 0.188 1
1 334 . 1 1 1 A 33 33 LEU CB C 656 43.197 42.593 0.604 1
1 347 . 1 1 1 A 34 34 GLN N N 657 119.992 119.416 0.576 1
1 348 . 1 1 1 A 34 34 GLN H H 657 8.679 8.749 -0.070 1
1 349 . 1 1 1 A 34 34 GLN CA C 657 56.354 56.971 -0.617 1
1 350 . 1 1 1 A 34 34 GLN HA H 657 4.159 4.594 -0.435 1
1 351 . 1 1 1 A 34 34 GLN CB C 657 29.555 31.153 -1.598 1
1 359 . 1 1 1 A 35 35 ASP N N 658 115.420 114.078 1.342 1
1 360 . 1 1 1 A 35 35 ASP H H 658 7.457 7.658 -0.201 1
1 361 . 1 1 1 A 35 35 ASP CA C 658 51.696 53.922 -2.226 1
1 362 . 1 1 1 A 35 35 ASP HA H 658 4.626 4.752 -0.126 1
1 363 . 1 1 1 A 35 35 ASP CB C 658 43.431 42.921 0.510 1
1 366 . 1 1 1 A 36 36 VAL N N 659 122.099 121.173 0.926 1
1 367 . 1 1 1 A 36 36 VAL H H 659 8.624 8.842 -0.218 1
1 368 . 1 1 1 A 36 36 VAL CA C 659 60.994 62.256 -1.262 1
1 369 . 1 1 1 A 36 36 VAL HA H 659 3.752 3.532 0.220 1
1 370 . 1 1 1 A 36 36 VAL CB C 659 32.087 30.549 1.538 1
1 380 . 1 1 1 A 37 37 PRO CA C 660 62.728 63.051 -0.323 1
1 381 . 1 1 1 A 37 37 PRO HA H 660 4.454 4.363 0.091 1
1 382 . 1 1 1 A 37 37 PRO CB C 660 32.835 30.983 1.852 1
1 391 . 1 1 1 A 38 38 GLY N N 661 106.940 110.337 -3.397 1
1 392 . 1 1 1 A 38 38 GLY H H 661 8.189 8.431 -0.242 1
1 393 . 1 1 1 A 38 38 GLY CA C 661 44.397 44.887 -0.490 1
1 394 . 1 1 1 A 38 38 GLY HA3 H 661 3.969 4.045 -0.076 1
1 395 . 1 1 1 A 38 38 GLY HA2 H 661 4.190 4.022 0.168 1
1 396 . 1 1 1 A 39 39 GLU N N 662 117.365 120.140 -2.775 1
1 397 . 1 1 1 A 39 39 GLU H H 662 8.281 8.910 -0.629 1
1 398 . 1 1 1 A 39 39 GLU CA C 662 57.520 57.192 0.328 1
1 399 . 1 1 1 A 39 39 GLU HA H 662 4.281 4.213 0.068 1
1 400 . 1 1 1 A 39 39 GLU CB C 662 30.013 28.226 1.787 1
1 405 . 1 1 1 A 40 40 GLU N N 663 117.986 117.957 0.029 1
1 406 . 1 1 1 A 40 40 GLU H H 663 8.697 7.895 0.802 1
1 407 . 1 1 1 A 40 40 GLU CA C 663 56.389 56.179 0.210 1
1 408 . 1 1 1 A 40 40 GLU HA H 663 4.293 4.584 -0.291 1
1 409 . 1 1 1 A 40 40 GLU CB C 663 28.787 31.060 -2.273 1
1 414 . 1 1 1 A 41 41 TRP N N 664 124.391 124.883 -0.492 1
1 415 . 1 1 1 A 41 41 TRP H H 664 7.967 7.664 0.303 1
1 416 . 1 1 1 A 41 41 TRP CA C 664 59.934 58.429 1.505 1
1 417 . 1 1 1 A 41 41 TRP HA H 664 4.312 4.684 -0.372 1
1 418 . 1 1 1 A 41 41 TRP CB C 664 29.998 30.125 -0.127 1
1 432 . 1 1 1 A 42 42 SER N N 665 120.355 118.339 2.016 1
1 433 . 1 1 1 A 42 42 SER H H 665 6.873 7.771 -0.898 1
1 434 . 1 1 1 A 42 42 SER CA C 665 55.166 56.683 -1.517 1
1 435 . 1 1 1 A 42 42 SER HA H 665 5.259 4.617 0.642 1
1 436 . 1 1 1 A 42 42 SER CB C 665 65.990 63.632 2.358 1
1 439 . 1 1 1 A 43 43 CYS N N 666 125.642 122.750 2.892 1
1 440 . 1 1 1 A 43 43 CYS H H 666 9.271 7.134 2.137 1
1 441 . 1 1 1 A 43 43 CYS CA C 666 57.325 60.424 -3.099 1
1 442 . 1 1 1 A 43 43 CYS HA H 666 3.952 2.948 1.004 1
1 443 . 1 1 1 A 43 43 CYS CB C 666 34.022 26.131 7.891 1
1 446 . 1 1 1 A 44 44 SER N N 667 117.158 118.772 -1.614 1
1 447 . 1 1 1 A 44 44 SER H H 667 7.068 8.713 -1.645 1
1 448 . 1 1 1 A 44 44 SER CA C 667 61.353 59.313 2.040 1
1 449 . 1 1 1 A 44 44 SER HA H 667 4.225 4.650 -0.425 1
1 450 . 1 1 1 A 44 44 SER CB C 667 63.693 64.522 -0.829 1
1 453 . 1 1 1 A 45 45 LEU N N 668 120.667 119.646 1.021 1
1 454 . 1 1 1 A 45 45 LEU H H 668 8.965 7.939 1.026 1
1 455 . 1 1 1 A 45 45 LEU CA C 668 57.416 56.507 0.909 1
1 456 . 1 1 1 A 45 45 LEU HA H 668 4.178 4.158 0.020 1
1 457 . 1 1 1 A 45 45 LEU CB C 668 40.611 41.939 -1.328 1
1 470 . 1 1 1 A 46 46 CYS N N 669 121.872 116.156 5.716 1
1 471 . 1 1 1 A 46 46 CYS H H 669 7.816 7.915 -0.099 1
1 472 . 1 1 1 A 46 46 CYS CA C 669 62.557 59.506 3.051 1
1 473 . 1 1 1 A 46 46 CYS HA H 669 3.969 4.508 -0.539 1
1 474 . 1 1 1 A 46 46 CYS CB C 669 30.467 29.379 1.088 1
1 477 . 1 1 1 A 47 47 HIS N N 670 119.396 120.149 -0.753 1
1 478 . 1 1 1 A 47 47 HIS H H 670 8.077 7.801 0.276 1
1 479 . 1 1 1 A 47 47 HIS CA C 670 55.625 57.864 -2.239 1
1 480 . 1 1 1 A 47 47 HIS HA H 670 4.429 4.571 -0.142 1
1 481 . 1 1 1 A 47 47 HIS CB C 670 30.326 31.876 -1.550 1
1 488 . 1 1 1 A 48 48 VAL N N 671 123.528 117.912 5.616 1
1 489 . 1 1 1 A 48 48 VAL H H 671 7.978 7.879 0.099 1
1 490 . 1 1 1 A 48 48 VAL CA C 671 62.120 64.182 -2.062 1
1 491 . 1 1 1 A 48 48 VAL HA H 671 3.925 4.262 -0.337 1
1 492 . 1 1 1 A 48 48 VAL CB C 671 32.396 31.271 1.125 1
1 502 . 1 1 1 A 49 49 LEU N N 672 126.622 125.936 0.686 1
1 503 . 1 1 1 A 49 49 LEU H H 672 8.139 8.544 -0.405 1
1 504 . 1 1 1 A 49 49 LEU CA C 672 52.859 54.019 -1.160 1
1 505 . 1 1 1 A 49 49 LEU HA H 672 4.475 4.290 0.185 1
1 506 . 1 1 1 A 49 49 LEU CB C 672 41.536 41.667 -0.131 1
1 518 . 1 1 1 A 50 50 PRO CA C 673 62.715 63.021 -0.306 1
1 519 . 1 1 1 A 50 50 PRO HA H 673 4.386 4.635 -0.249 1
1 520 . 1 1 1 A 50 50 PRO CB C 673 32.093 31.699 0.394 1
1 528 . 1 1 1 A 51 51 ASP N N 674 120.540 125.592 -5.052 1
1 529 . 1 1 1 A 51 51 ASP H H 674 8.307 9.316 -1.009 1
1 530 . 1 1 1 A 51 51 ASP CA C 674 54.202 54.909 -0.707 1
1 531 . 1 1 1 A 51 51 ASP HA H 674 4.564 4.647 -0.083 1
1 532 . 1 1 1 A 51 51 ASP CB C 674 41.030 40.712 0.318 1
1 535 . 1 1 1 A 52 52 LEU N N 675 122.987 120.115 2.872 1
1 536 . 1 1 1 A 52 52 LEU H H 675 8.053 7.815 0.238 1
1 537 . 1 1 1 A 52 52 LEU CA C 675 54.945 56.976 -2.031 1
1 538 . 1 1 1 A 52 52 LEU HA H 675 4.364 4.141 0.223 1
1 539 . 1 1 1 A 52 52 LEU CB C 675 42.436 41.359 1.077 1
1 551 . 1 1 1 A 53 53 LYS N N 676 122.061 119.963 2.098 1
1 552 . 1 1 1 A 53 53 LYS H H 676 8.340 7.606 0.734 1
1 553 . 1 1 1 A 53 53 LYS CA C 676 56.060 58.588 -2.528 1
1 554 . 1 1 1 A 53 53 LYS HA H 676 4.331 4.063 0.268 1
1 555 . 1 1 1 A 53 53 LYS CB C 676 32.363 32.421 -0.058 1
1 564 . 1 1 1 A 54 54 GLU N N 677 121.909 116.629 5.280 1
1 565 . 1 1 1 A 54 54 GLU H H 677 8.403 7.823 0.580 1
1 566 . 1 1 1 A 54 54 GLU CA C 677 56.586 58.963 -2.377 1
1 567 . 1 1 1 A 54 54 GLU HA H 677 4.312 3.932 0.380 1
1 568 . 1 1 1 A 54 54 GLU CB C 677 30.221 28.228 1.993 1
1 573 . 1 1 1 A 55 55 GLU N N 678 121.528 119.940 1.588 1
1 574 . 1 1 1 A 55 55 GLU H H 678 8.486 8.419 0.067 1
1 575 . 1 1 1 A 55 55 GLU CA C 678 56.368 55.457 0.911 1
1 576 . 1 1 1 A 55 55 GLU HA H 678 4.315 4.428 -0.113 1
1 577 . 1 1 1 A 55 55 GLU CB C 678 28.896 30.720 -1.824 1
1 582 . 1 1 1 A 56 56 ASP N N 679 121.530 121.346 0.184 1
1 583 . 1 1 1 A 56 56 ASP H H 679 8.322 9.017 -0.695 1
1 584 . 1 1 1 A 56 56 ASP CA C 679 54.252 54.946 -0.694 1
1 585 . 1 1 1 A 56 56 ASP HA H 679 4.680 4.562 0.118 1
1 586 . 1 1 1 A 56 56 ASP CB C 679 41.146 38.633 2.513 1
1 588 . 1 1 1 A 57 57 GLY N N 680 109.997 109.096 0.901 1
1 589 . 1 1 1 A 57 57 GLY H H 680 8.412 8.021 0.391 1
1 590 . 1 1 1 A 57 57 GLY CA C 680 45.247 46.380 -1.133 1
1 591 . 1 1 1 A 57 57 GLY HA2 H 680 4.020 3.940 0.080 1
1 592 . 1 1 1 A 58 58 SER N N 681 115.994 115.351 0.643 1
1 593 . 1 1 1 A 58 58 SER H H 681 8.280 7.788 0.492 1
1 594 . 1 1 1 A 58 58 SER CA C 681 58.239 57.497 0.742 1
1 595 . 1 1 1 A 58 58 SER HA H 681 3.996 4.673 -0.677 1
1 596 . 1 1 1 A 58 58 SER CB C 681 63.789 64.679 -0.890 1
1 598 . 1 1 1 A 59 59 LEU N N 682 123.362 122.738 0.624 1
1 599 . 1 1 1 A 59 59 LEU H H 682 8.164 7.518 0.646 1
1 600 . 1 1 1 A 59 59 LEU CA C 682 55.160 54.274 0.886 1
1 601 . 1 1 1 A 59 59 LEU HA H 682 4.427 4.880 -0.453 1
1 602 . 1 1 1 A 59 59 LEU CB C 682 42.473 45.291 -2.818 1
1 614 . 1 1 1 A 60 60 SER N N 683 116.385 118.386 -2.001 1
1 615 . 1 1 1 A 60 60 SER H H 683 8.226 8.702 -0.476 1
1 616 . 1 1 1 A 60 60 SER CA C 683 58.004 57.825 0.179 1
1 617 . 1 1 1 A 60 60 SER HA H 683 4.517 4.708 -0.191 1
1 618 . 1 1 1 A 60 60 SER CB C 683 63.651 65.319 -1.668 1
1 620 . 1 1 1 A 61 61 LEU N N 684 124.466 121.837 2.629 1
1 621 . 1 1 1 A 61 61 LEU H H 684 8.303 8.210 0.093 1
1 622 . 1 1 1 A 61 61 LEU CA C 684 54.959 56.803 -1.844 1
1 623 . 1 1 1 A 61 61 LEU HA H 684 4.412 4.238 0.174 1
1 624 . 1 1 1 A 61 61 LEU CB C 684 41.713 42.202 -0.489 1
1 635 . 1 1 1 A 62 62 ASP N N 685 120.536 119.093 1.443 1
1 636 . 1 1 1 A 62 62 ASP H H 685 8.267 8.248 0.019 1
1 637 . 1 1 1 A 62 62 ASP CA C 685 54.276 54.063 0.213 1
1 638 . 1 1 1 A 62 62 ASP HA H 685 4.680 4.901 -0.221 1
1 639 . 1 1 1 A 62 62 ASP CB C 685 41.125 43.824 -2.699 1
1 642 . 1 1 1 A 63 63 GLY N N 686 109.373 112.055 -2.682 1
1 643 . 1 1 1 A 63 63 GLY H H 686 8.277 8.302 -0.025 1
1 644 . 1 1 1 A 63 63 GLY CA C 686 45.297 45.773 -0.476 1
1 645 . 1 1 1 A 63 63 GLY HA2 H 686 3.992 4.125 -0.133 1
1 646 . 1 1 1 A 64 64 ALA N N 687 123.584 127.880 -4.296 1
1 647 . 1 1 1 A 64 64 ALA H H 687 8.129 8.157 -0.028 1
1 648 . 1 1 1 A 64 64 ALA CA C 687 52.637 53.386 -0.749 1
1 649 . 1 1 1 A 64 64 ALA HA H 687 4.379 4.320 0.059 1
1 650 . 1 1 1 A 64 64 ALA CB C 687 19.122 20.498 -1.376 1
1 654 . 1 1 1 A 65 65 ASP N N 688 118.924 116.000 2.924 1
1 655 . 1 1 1 A 65 65 ASP H H 688 8.326 7.543 0.783 1
1 656 . 1 1 1 A 65 65 ASP CA C 688 53.972 54.438 -0.466 1
1 657 . 1 1 1 A 65 65 ASP HA H 688 4.682 4.913 -0.231 1
1 658 . 1 1 1 A 65 65 ASP CB C 688 41.061 44.343 -3.282 1
1 660 . 1 1 1 A 66 66 SER N N 689 116.036 119.914 -3.878 1
1 661 . 1 1 1 A 66 66 SER H H 689 8.285 8.843 -0.558 1
1 662 . 1 1 1 A 66 66 SER CA C 689 58.352 59.760 -1.408 1
1 663 . 1 1 1 A 66 66 SER HA H 689 4.443 4.670 -0.227 1
1 664 . 1 1 1 A 66 66 SER CB C 689 63.665 65.489 -1.824 1
1 666 . 1 1 1 A 67 67 THR N N 690 115.059 111.938 3.121 1
1 667 . 1 1 1 A 67 67 THR H H 690 8.253 7.890 0.363 1
1 668 . 1 1 1 A 67 67 THR CA C 690 62.556 62.752 -0.196 1
1 669 . 1 1 1 A 67 67 THR HA H 690 4.379 4.526 -0.147 1
1 670 . 1 1 1 A 67 67 THR CB C 690 69.623 71.350 -1.727 1
1 676 . 1 1 1 A 68 68 GLY N N 691 111.091 106.048 5.043 1
1 677 . 1 1 1 A 68 68 GLY H H 691 8.366 7.623 0.743 1
1 678 . 1 1 1 A 68 68 GLY CA C 691 45.297 45.269 0.028 1
1 679 . 1 1 1 A 68 68 GLY HA2 H 691 4.002 4.117 -0.115 1
1 680 . 1 1 1 A 69 69 VAL N N 692 119.280 123.168 -3.888 1
1 681 . 1 1 1 A 69 69 VAL H H 692 7.876 8.622 -0.746 1
1 682 . 1 1 1 A 69 69 VAL CA C 692 62.068 63.733 -1.665 1
1 683 . 1 1 1 A 69 69 VAL HA H 692 4.176 4.124 0.052 1
1 684 . 1 1 1 A 69 69 VAL CB C 692 32.322 32.264 0.058 1
1 690 . 1 1 1 A 70 70 VAL N N 693 123.601 114.858 8.743 1
1 691 . 1 1 1 A 70 70 VAL H H 693 8.102 7.531 0.571 1
1 692 . 1 1 1 A 70 70 VAL CA C 693 61.886 62.224 -0.338 1
1 693 . 1 1 1 A 70 70 VAL HA H 693 4.150 4.281 -0.131 1
1 694 . 1 1 1 A 70 70 VAL CB C 693 32.429 33.636 -1.207 1
1 700 . 1 1 1 A 71 71 ALA N N 694 129.048 122.285 6.763 1
1 701 . 1 1 1 A 71 71 ALA H H 694 8.374 7.974 0.400 1
1 702 . 1 1 1 A 71 71 ALA CA C 694 52.125 53.498 -1.373 1
1 703 . 1 1 1 A 71 71 ALA HA H 694 4.454 4.054 0.400 1
1 704 . 1 1 1 A 71 71 ALA CB C 694 19.203 17.842 1.361 1
1 708 . 1 1 1 A 72 72 LYS N N 695 118.535 118.033 0.502 1
1 709 . 1 1 1 A 72 72 LYS H H 695 7.833 7.849 -0.016 1
1 710 . 1 1 1 A 72 72 LYS CA C 695 54.556 59.743 -5.187 1
1 711 . 1 1 1 A 72 72 LYS HA H 695 4.827 4.167 0.660 1
1 712 . 1 1 1 A 72 72 LYS CB C 695 35.245 32.614 2.631 1
1 722 . 1 1 1 A 73 73 LEU N N 696 121.834 120.977 0.857 1
1 723 . 1 1 1 A 73 73 LEU H H 696 8.772 7.944 0.828 1
1 724 . 1 1 1 A 73 73 LEU CA C 696 54.973 55.218 -0.245 1
1 725 . 1 1 1 A 73 73 LEU HA H 696 4.268 4.461 -0.193 1
1 726 . 1 1 1 A 73 73 LEU CB C 696 42.467 42.757 -0.290 1
1 739 . 1 1 1 A 74 74 SER N N 697 121.120 114.593 6.527 1
1 740 . 1 1 1 A 74 74 SER H H 697 8.890 7.992 0.898 1
1 741 . 1 1 1 A 74 74 SER CA C 697 56.165 58.763 -2.598 1
1 742 . 1 1 1 A 74 74 SER HA H 697 4.710 4.577 0.133 1
1 743 . 1 1 1 A 74 74 SER CB C 697 62.177 62.466 -0.289 1
1 745 . 1 1 1 A 75 75 PRO CA C 698 66.251 65.918 0.333 1
1 746 . 1 1 1 A 75 75 PRO HA H 698 4.350 4.303 0.047 1
1 747 . 1 1 1 A 75 75 PRO CB C 698 31.661 31.360 0.301 1
1 755 . 1 1 1 A 76 76 ALA N N 699 117.914 118.955 -1.041 1
1 756 . 1 1 1 A 76 76 ALA H H 699 8.458 8.050 0.408 1
1 757 . 1 1 1 A 76 76 ALA CA C 699 55.000 55.050 -0.050 1
1 758 . 1 1 1 A 76 76 ALA HA H 699 4.132 4.056 0.076 1
1 759 . 1 1 1 A 76 76 ALA CB C 699 18.785 18.217 0.568 1
1 763 . 1 1 1 A 77 77 ASN N N 700 116.945 117.502 -0.557 1
1 764 . 1 1 1 A 77 77 ASN H H 700 7.760 8.206 -0.446 1
1 765 . 1 1 1 A 77 77 ASN CA C 700 55.210 55.712 -0.502 1
1 766 . 1 1 1 A 77 77 ASN HA H 700 4.763 4.320 0.443 1
1 767 . 1 1 1 A 77 77 ASN CB C 700 38.005 37.762 0.243 1
1 770 . 1 1 1 A 78 78 GLN N N 701 124.719 120.423 4.296 1
1 771 . 1 1 1 A 78 78 GLN H H 701 9.480 8.579 0.901 1
1 772 . 1 1 1 A 78 78 GLN CA C 701 59.634 59.226 0.408 1
1 773 . 1 1 1 A 78 78 GLN HA H 701 3.673 4.136 -0.463 1
1 774 . 1 1 1 A 78 78 GLN CB C 701 27.114 28.534 -1.420 1
1 782 . 1 1 1 A 79 79 ARG N N 702 117.069 119.072 -2.003 1
1 783 . 1 1 1 A 79 79 ARG H H 702 7.654 7.695 -0.041 1
1 784 . 1 1 1 A 79 79 ARG CA C 702 57.561 59.221 -1.660 1
1 785 . 1 1 1 A 79 79 ARG HA H 702 4.487 4.062 0.425 1
1 786 . 1 1 1 A 79 79 ARG CB C 702 29.680 29.916 -0.236 1
1 794 . 1 1 1 A 80 80 LYS N N 703 119.251 118.547 0.704 1
1 795 . 1 1 1 A 80 80 LYS H H 703 7.636 7.908 -0.272 1
1 796 . 1 1 1 A 80 80 LYS CA C 703 60.735 59.365 1.370 1
1 797 . 1 1 1 A 80 80 LYS HA H 703 3.702 4.031 -0.329 1
1 798 . 1 1 1 A 80 80 LYS CB C 703 34.002 32.321 1.681 1
1 808 . 1 1 1 A 81 81 CYS N N 704 115.848 118.250 -2.402 1
1 809 . 1 1 1 A 81 81 CYS H H 704 8.031 8.044 -0.013 1
1 810 . 1 1 1 A 81 81 CYS CA C 704 64.823 61.129 3.694 1
1 811 . 1 1 1 A 81 81 CYS HA H 704 3.687 3.889 -0.202 1
1 812 . 1 1 1 A 81 81 CYS CB C 704 26.491 26.340 0.151 1
1 815 . 1 1 1 A 82 82 GLU N N 705 118.931 120.902 -1.971 1
1 816 . 1 1 1 A 82 82 GLU H H 705 8.286 7.924 0.362 1
1 817 . 1 1 1 A 82 82 GLU CA C 705 59.887 58.495 1.392 1
1 818 . 1 1 1 A 82 82 GLU HA H 705 3.589 4.029 -0.440 1
1 819 . 1 1 1 A 82 82 GLU CB C 705 29.067 29.151 -0.084 1
1 825 . 1 1 1 A 83 83 ARG N N 706 119.029 118.934 0.095 1
1 826 . 1 1 1 A 83 83 ARG H H 706 7.931 7.892 0.039 1
1 827 . 1 1 1 A 83 83 ARG CA C 706 60.133 58.031 2.102 1
1 828 . 1 1 1 A 83 83 ARG HA H 706 3.748 4.182 -0.434 1
1 829 . 1 1 1 A 83 83 ARG CB C 706 30.197 30.580 -0.383 1
1 838 . 1 1 1 A 84 84 VAL N N 707 119.247 118.852 0.395 1
1 839 . 1 1 1 A 84 84 VAL H H 707 7.762 7.197 0.565 1
1 840 . 1 1 1 A 84 84 VAL CA C 707 67.133 65.182 1.951 1
1 841 . 1 1 1 A 84 84 VAL HA H 707 3.562 4.078 -0.516 1
1 842 . 1 1 1 A 84 84 VAL CB C 707 31.857 31.855 0.002 1
1 852 . 1 1 1 A 85 85 LEU N N 708 119.414 120.117 -0.703 1
1 853 . 1 1 1 A 85 85 LEU H H 708 8.844 8.693 0.151 1
1 854 . 1 1 1 A 85 85 LEU CA C 708 57.561 58.482 -0.921 1
1 855 . 1 1 1 A 85 85 LEU HA H 708 4.366 4.284 0.082 1
1 856 . 1 1 1 A 85 85 LEU CB C 708 41.320 42.127 -0.807 1
1 869 . 1 1 1 A 86 86 LEU N N 709 120.156 120.475 -0.319 1
1 870 . 1 1 1 A 86 86 LEU H H 709 9.044 8.003 1.041 1
1 871 . 1 1 1 A 86 86 LEU CA C 709 57.977 58.252 -0.275 1
1 872 . 1 1 1 A 86 86 LEU HA H 709 4.382 4.095 0.287 1
1 873 . 1 1 1 A 86 86 LEU CB C 709 41.069 42.122 -1.053 1
1 886 . 1 1 1 A 87 87 ALA N N 710 121.264 120.649 0.615 1
1 887 . 1 1 1 A 87 87 ALA H H 710 8.136 8.253 -0.117 1
1 888 . 1 1 1 A 87 87 ALA CA C 710 55.439 55.785 -0.346 1
1 889 . 1 1 1 A 87 87 ALA HA H 710 4.217 4.503 -0.286 1
1 890 . 1 1 1 A 87 87 ALA CB C 710 17.525 18.797 -1.272 1
1 894 . 1 1 1 A 88 88 LEU N N 711 117.148 118.307 -1.159 1
1 895 . 1 1 1 A 88 88 LEU H H 711 8.158 9.128 -0.970 1
1 896 . 1 1 1 A 88 88 LEU CA C 711 58.688 57.771 0.917 1
1 897 . 1 1 1 A 88 88 LEU HA H 711 4.401 3.291 1.110 1
1 898 . 1 1 1 A 88 88 LEU CB C 711 41.534 42.336 -0.802 1
1 911 . 1 1 1 A 89 89 PHE N N 712 117.048 117.436 -0.388 1
1 912 . 1 1 1 A 89 89 PHE H H 712 8.536 9.386 -0.850 1
1 913 . 1 1 1 A 89 89 PHE CA C 712 62.732 61.209 1.523 1
1 914 . 1 1 1 A 89 89 PHE HA H 712 3.971 5.437 -1.466 1
1 915 . 1 1 1 A 89 89 PHE CB C 712 40.351 39.331 1.020 1
1 922 . 1 1 1 A 90 90 CYS N N 713 111.682 116.673 -4.991 1
1 923 . 1 1 1 A 90 90 CYS H H 713 7.689 8.640 -0.951 1
1 924 . 1 1 1 A 90 90 CYS CA C 713 60.573 63.726 -3.153 1
1 925 . 1 1 1 A 90 90 CYS HA H 713 4.614 3.878 0.736 1
1 926 . 1 1 1 A 90 90 CYS CB C 713 28.820 27.037 1.783 1
1 929 . 1 1 1 A 91 91 HIS N N 714 123.036 117.744 5.292 1
1 930 . 1 1 1 A 91 91 HIS H H 714 7.517 7.498 0.019 1
1 931 . 1 1 1 A 91 91 HIS CA C 714 54.945 54.974 -0.029 1
1 932 . 1 1 1 A 91 91 HIS HA H 714 4.939 4.366 0.573 1
1 933 . 1 1 1 A 91 91 HIS CB C 714 31.433 31.288 0.145 1
1 940 . 1 1 1 A 92 92 GLU CA C 715 61.506 60.272 1.234 1
1 941 . 1 1 1 A 92 92 GLU HA H 715 4.052 3.995 0.057 1
1 942 . 1 1 1 A 92 92 GLU CB C 715 26.765 29.924 -3.159 1
1 947 . 1 1 1 A 93 93 PRO CA C 716 65.272 66.395 -1.123 1
1 948 . 1 1 1 A 93 93 PRO HA H 716 4.294 4.426 -0.132 1
1 949 . 1 1 1 A 93 93 PRO CB C 716 31.486 30.909 0.577 1
1 958 . 1 1 1 A 94 94 CYS N N 717 110.309 116.057 -5.748 1
1 959 . 1 1 1 A 94 94 CYS H H 717 7.667 8.578 -0.911 1
1 960 . 1 1 1 A 94 94 CYS CA C 717 58.484 62.320 -3.836 1
1 961 . 1 1 1 A 94 94 CYS HA H 717 4.406 4.145 0.261 1
1 962 . 1 1 1 A 94 94 CYS CB C 717 28.612 27.453 1.159 1
1 965 . 1 1 1 A 95 95 ARG N N 718 122.655 120.028 2.627 1
1 966 . 1 1 1 A 95 95 ARG H H 718 7.928 8.234 -0.306 1
1 967 . 1 1 1 A 95 95 ARG CA C 718 60.829 60.721 0.108 1
1 968 . 1 1 1 A 95 95 ARG HA H 718 3.740 3.473 0.267 1
1 969 . 1 1 1 A 95 95 ARG CB C 718 28.131 28.974 -0.843 1
1 977 . 1 1 1 A 96 96 PRO CA C 719 65.328 66.337 -1.009 1
1 978 . 1 1 1 A 96 96 PRO HA H 719 4.456 4.256 0.200 1
1 979 . 1 1 1 A 96 96 PRO CB C 719 31.665 30.796 0.869 1
1 987 . 1 1 1 A 97 97 LEU N N 720 112.429 116.763 -4.334 1
1 988 . 1 1 1 A 97 97 LEU H H 720 7.720 7.023 0.697 1
1 989 . 1 1 1 A 97 97 LEU CA C 720 54.707 57.539 -2.832 1
1 990 . 1 1 1 A 97 97 LEU HA H 720 4.228 3.713 0.515 1
1 991 . 1 1 1 A 97 97 LEU CB C 720 40.391 41.613 -1.222 1
1 1004 . 1 1 1 A 98 98 HIS N N 721 118.891 116.370 2.521 1
1 1005 . 1 1 1 A 98 98 HIS H H 721 7.964 8.862 -0.898 1
1 1006 . 1 1 1 A 98 98 HIS CA C 721 60.901 58.148 2.753 1
1 1007 . 1 1 1 A 98 98 HIS HA H 721 4.190 4.282 -0.092 1
1 1008 . 1 1 1 A 98 98 HIS CB C 721 31.678 29.473 2.205 1
1 1015 . 1 1 1 A 99 99 GLN N N 722 116.787 115.924 0.863 1
1 1016 . 1 1 1 A 99 99 GLN H H 722 8.090 7.537 0.553 1
1 1017 . 1 1 1 A 99 99 GLN CA C 722 55.180 54.756 0.424 1
1 1018 . 1 1 1 A 99 99 GLN HA H 722 4.808 4.640 0.168 1
1 1019 . 1 1 1 A 99 99 GLN CB C 722 30.690 29.637 1.053 1
1 1024 . 1 1 1 A 100 100 LEU H H 723 9.277 8.632 0.645 1
1 1025 . 1 1 1 A 100 100 LEU CA C 723 55.397 55.666 -0.269 1
1 1026 . 1 1 1 A 100 100 LEU HA H 723 4.566 4.526 0.040 1
1 1027 . 1 1 1 A 100 100 LEU CB C 723 43.862 44.470 -0.608 1
1 1040 . 1 1 1 A 101 101 ALA N N 724 123.211 120.917 2.294 1
1 1041 . 1 1 1 A 101 101 ALA H H 724 8.577 7.618 0.959 1
1 1042 . 1 1 1 A 101 101 ALA CA C 724 52.591 52.191 0.400 1
1 1043 . 1 1 1 A 101 101 ALA HA H 724 4.392 4.306 0.086 1
1 1044 . 1 1 1 A 101 101 ALA CB C 724 19.262 20.128 -0.866 1
1 1048 . 1 1 1 A 102 102 THR N N 725 112.189 110.349 1.840 1
1 1049 . 1 1 1 A 102 102 THR H H 725 8.069 8.350 -0.281 1
1 1050 . 1 1 1 A 102 102 THR CA C 725 61.802 60.736 1.066 1
1 1051 . 1 1 1 A 102 102 THR HA H 725 4.366 4.788 -0.422 1
1 1052 . 1 1 1 A 102 102 THR CB C 725 69.684 69.109 0.575 1
1 1058 . 1 1 1 A 103 103 ASP N N 726 121.846 123.471 -1.625 1
1 1059 . 1 1 1 A 103 103 ASP H H 726 8.195 8.100 0.095 1
1 1060 . 1 1 1 A 103 103 ASP CA C 726 54.057 57.578 -3.521 1
1 1061 . 1 1 1 A 103 103 ASP HA H 726 4.681 4.366 0.315 1
1 1062 . 1 1 1 A 103 103 ASP CB C 726 41.228 40.560 0.668 1
1 1064 . 1 1 1 A 104 104 SER N N 727 116.230 113.297 2.933 1
1 1065 . 1 1 1 A 104 104 SER H H 727 8.260 7.853 0.407 1
1 1066 . 1 1 1 A 104 104 SER CA C 727 58.945 60.817 -1.872 1
1 1067 . 1 1 1 A 104 104 SER HA H 727 4.468 4.087 0.381 1
1 1068 . 1 1 1 A 104 104 SER CB C 727 63.856 61.791 2.065 1
1 1070 . 1 1 1 A 105 105 THR N N 728 115.362 115.239 0.123 1
1 1071 . 1 1 1 A 105 105 THR H H 728 8.205 8.210 -0.005 1
1 1072 . 1 1 1 A 105 105 THR CA C 728 62.744 60.706 2.038 1
1 1073 . 1 1 1 A 105 105 THR HA H 728 4.238 4.433 -0.195 1
1 1074 . 1 1 1 A 105 105 THR CB C 728 69.490 69.054 0.436 1
1 1080 . 1 1 1 A 106 106 PHE N N 729 121.735 122.914 -1.179 1
1 1081 . 1 1 1 A 106 106 PHE H H 729 8.047 7.738 0.309 1
1 1082 . 1 1 1 A 106 106 PHE CA C 729 57.966 58.086 -0.120 1
1 1083 . 1 1 1 A 106 106 PHE HA H 729 4.626 4.676 -0.050 1
1 1084 . 1 1 1 A 106 106 PHE CB C 729 39.633 41.440 -1.807 1
1 1090 . 1 1 1 A 107 107 SER N N 730 116.751 118.279 -1.528 1
1 1091 . 1 1 1 A 107 107 SER H H 730 7.962 9.108 -1.146 1
1 1092 . 1 1 1 A 107 107 SER CA C 730 57.921 58.562 -0.641 1
1 1093 . 1 1 1 A 107 107 SER HA H 730 4.413 4.783 -0.370 1
1 1094 . 1 1 1 A 107 107 SER CB C 730 63.659 64.959 -1.300 1
1 1097 . 1 1 1 A 108 108 LEU N N 731 123.373 120.417 2.956 1
1 1098 . 1 1 1 A 108 108 LEU H H 731 8.212 8.507 -0.295 1
1 1099 . 1 1 1 A 108 108 LEU CA C 731 55.650 58.131 -2.481 1
1 1100 . 1 1 1 A 108 108 LEU HA H 731 4.265 4.119 0.146 1
1 1101 . 1 1 1 A 108 108 LEU CB C 731 42.257 41.830 0.427 1
1 1113 . 1 1 1 A 109 109 ASP N N 732 118.496 119.986 -1.490 1
1 1114 . 1 1 1 A 109 109 ASP H H 732 8.172 8.290 -0.118 1
1 1115 . 1 1 1 A 109 109 ASP CA C 732 54.239 53.290 0.949 1
1 1116 . 1 1 1 A 109 109 ASP HA H 732 4.566 4.932 -0.366 1
1 1117 . 1 1 1 A 109 109 ASP CB C 732 41.124 42.395 -1.271 1
1 1120 . 1 1 1 A 110 110 GLN N N 733 119.403 118.368 1.035 1
1 1121 . 1 1 1 A 110 110 GLN H H 733 7.707 7.454 0.253 1
1 1122 . 1 1 1 A 110 110 GLN CA C 733 53.251 54.680 -1.429 1
1 1123 . 1 1 1 A 110 110 GLN HA H 733 4.675 3.696 0.979 1
1 1124 . 1 1 1 A 110 110 GLN CB C 733 29.061 28.378 0.683 1
1 1129 . 1 1 1 A 111 111 PRO CA C 734 63.869 62.540 1.329 1
1 1130 . 1 1 1 A 111 111 PRO HA H 734 4.435 4.418 0.017 1
1 1131 . 1 1 1 A 111 111 PRO CB C 734 31.900 29.386 2.514 1
1 1139 . 1 1 1 A 112 112 GLY N N 735 109.783 112.300 -2.517 1
1 1140 . 1 1 1 A 112 112 GLY H H 735 8.510 8.575 -0.065 1
1 1141 . 1 1 1 A 112 112 GLY CA C 735 44.954 46.982 -2.028 1
1 1142 . 1 1 1 A 112 112 GLY HA3 H 735 3.903 3.889 0.014 1
1 1143 . 1 1 1 A 112 112 GLY HA2 H 735 3.994 3.885 0.109 1
1 1144 . 1 1 1 A 113 113 GLY N N 736 108.485 107.854 0.631 1
1 1145 . 1 1 1 A 113 113 GLY H H 736 8.138 8.041 0.097 1
1 1146 . 1 1 1 A 113 113 GLY CA C 736 44.755 47.063 -2.308 1
1 1147 . 1 1 1 A 113 113 GLY HA3 H 736 3.899 3.775 0.124 1
1 1148 . 1 1 1 A 113 113 GLY HA2 H 736 3.964 3.766 0.198 1
1 1149 . 1 1 1 A 114 114 THR N N 737 116.361 110.629 5.732 1
1 1150 . 1 1 1 A 114 114 THR H H 737 7.951 8.040 -0.089 1
1 1151 . 1 1 1 A 114 114 THR CA C 737 62.508 62.990 -0.482 1
1 1152 . 1 1 1 A 114 114 THR HA H 737 4.189 4.476 -0.287 1
1 1153 . 1 1 1 A 114 114 THR CB C 737 69.780 71.893 -2.113 1
1 1159 . 1 1 1 A 115 115 LEU N N 738 125.899 122.292 3.607 1
1 1160 . 1 1 1 A 115 115 LEU H H 738 8.575 7.956 0.619 1
1 1161 . 1 1 1 A 115 115 LEU CA C 738 54.534 55.279 -0.745 1
1 1162 . 1 1 1 A 115 115 LEU HA H 738 4.452 4.290 0.162 1
1 1163 . 1 1 1 A 115 115 LEU CB C 738 45.506 42.039 3.467 1
1 1176 . 1 1 1 A 116 116 ASP N N 739 115.416 116.776 -1.360 1
1 1177 . 1 1 1 A 116 116 ASP H H 739 6.819 8.289 -1.470 1
1 1178 . 1 1 1 A 116 116 ASP CA C 739 52.606 53.133 -0.527 1
1 1179 . 1 1 1 A 116 116 ASP HA H 739 4.472 4.947 -0.475 1
1 1180 . 1 1 1 A 116 116 ASP CB C 739 42.811 42.409 0.402 1
1 1183 . 1 1 1 A 117 117 LEU N N 740 115.281 120.455 -5.174 1
1 1184 . 1 1 1 A 117 117 LEU H H 740 8.213 8.658 -0.445 1
1 1185 . 1 1 1 A 117 117 LEU CA C 740 57.750 58.098 -0.348 1
1 1186 . 1 1 1 A 117 117 LEU HA H 740 3.841 4.004 -0.163 1
1 1187 . 1 1 1 A 117 117 LEU CB C 740 42.005 41.340 0.665 1
1 1200 . 1 1 1 A 118 118 THR N N 741 116.995 110.079 6.916 1
1 1201 . 1 1 1 A 118 118 THR H H 741 8.152 7.991 0.161 1
1 1202 . 1 1 1 A 118 118 THR CA C 741 68.068 66.048 2.020 1
1 1203 . 1 1 1 A 118 118 THR HA H 741 4.054 4.178 -0.124 1
1 1204 . 1 1 1 A 118 118 THR CB C 741 68.392 68.507 -0.115 1
1 1210 . 1 1 1 A 119 119 LEU N N 742 127.180 123.945 3.235 1
1 1211 . 1 1 1 A 119 119 LEU H H 742 8.804 8.136 0.668 1
1 1212 . 1 1 1 A 119 119 LEU CA C 742 58.460 58.601 -0.141 1
1 1213 . 1 1 1 A 119 119 LEU HA H 742 4.214 4.036 0.178 1
1 1214 . 1 1 1 A 119 119 LEU CB C 742 42.491 42.048 0.443 1
1 1227 . 1 1 1 A 120 120 ILE N N 743 120.880 119.454 1.426 1
1 1228 . 1 1 1 A 120 120 ILE H H 743 7.884 8.348 -0.464 1
1 1229 . 1 1 1 A 120 120 ILE CA C 743 65.546 65.392 0.154 1
1 1230 . 1 1 1 A 120 120 ILE HA H 743 4.101 4.216 -0.115 1
1 1231 . 1 1 1 A 120 120 ILE CB C 743 38.693 37.888 0.805 1
1 1244 . 1 1 1 A 121 121 ARG N N 744 119.772 122.435 -2.663 1
1 1245 . 1 1 1 A 121 121 ARG H H 744 8.792 8.768 0.024 1
1 1246 . 1 1 1 A 121 121 ARG CA C 744 60.369 59.696 0.673 1
1 1247 . 1 1 1 A 121 121 ARG HA H 744 3.896 4.055 -0.159 1
1 1248 . 1 1 1 A 121 121 ARG CB C 744 30.241 30.130 0.111 1
1 1257 . 1 1 1 A 122 122 ALA N N 745 120.978 121.453 -0.475 1
1 1258 . 1 1 1 A 122 122 ALA H H 745 8.303 8.542 -0.239 1
1 1259 . 1 1 1 A 122 122 ALA CA C 745 55.203 55.285 -0.082 1
1 1260 . 1 1 1 A 122 122 ALA HA H 745 4.246 3.991 0.255 1
1 1261 . 1 1 1 A 122 122 ALA CB C 745 18.005 18.209 -0.204 1
1 1265 . 1 1 1 A 123 123 ARG N N 746 119.408 118.715 0.693 1
1 1266 . 1 1 1 A 123 123 ARG H H 746 8.224 7.575 0.649 1
1 1267 . 1 1 1 A 123 123 ARG CA C 746 59.895 59.088 0.807 1
1 1268 . 1 1 1 A 123 123 ARG HA H 746 4.335 3.825 0.510 1
1 1269 . 1 1 1 A 123 123 ARG CB C 746 29.768 29.473 0.295 1
1 1279 . 1 1 1 A 124 124 LEU N N 747 125.115 119.866 5.249 1
1 1280 . 1 1 1 A 124 124 LEU H H 747 9.029 8.373 0.656 1
1 1281 . 1 1 1 A 124 124 LEU CA C 747 57.559 57.872 -0.313 1
1 1282 . 1 1 1 A 124 124 LEU HA H 747 4.925 3.917 1.008 1
1 1283 . 1 1 1 A 124 124 LEU CB C 747 42.721 41.493 1.228 1
1 1296 . 1 1 1 A 125 125 GLN N N 748 114.117 116.700 -2.583 1
1 1297 . 1 1 1 A 125 125 GLN H H 748 8.418 8.265 0.153 1
1 1298 . 1 1 1 A 125 125 GLN CA C 748 55.664 55.870 -0.206 1
1 1299 . 1 1 1 A 125 125 GLN HA H 748 4.444 4.267 0.177 1
1 1300 . 1 1 1 A 125 125 GLN CB C 748 29.301 28.938 0.363 1
1 1309 . 1 1 1 A 126 126 GLU N N 749 113.381 118.222 -4.841 1
1 1310 . 1 1 1 A 126 126 GLU H H 749 7.978 8.410 -0.432 1
1 1311 . 1 1 1 A 126 126 GLU CA C 749 57.789 57.817 -0.028 1
1 1312 . 1 1 1 A 126 126 GLU HA H 749 4.156 3.962 0.194 1
1 1313 . 1 1 1 A 126 126 GLU CB C 749 25.906 29.478 -3.572 1
1 1318 . 1 1 1 A 127 127 LYS N N 750 116.557 120.964 -4.407 1
1 1319 . 1 1 1 A 127 127 LYS H H 750 8.538 7.933 0.605 1
1 1320 . 1 1 1 A 127 127 LYS CA C 750 56.417 59.120 -2.703 1
1 1321 . 1 1 1 A 127 127 LYS HA H 750 4.344 4.115 0.229 1
1 1322 . 1 1 1 A 127 127 LYS CB C 750 33.029 32.290 0.739 1
1 1332 . 1 1 1 A 128 128 LEU N N 751 119.986 121.027 -1.041 1
1 1333 . 1 1 1 A 128 128 LEU H H 751 6.949 7.906 -0.957 1
1 1334 . 1 1 1 A 128 128 LEU CA C 751 53.476 58.357 -4.881 1
1 1335 . 1 1 1 A 128 128 LEU HA H 751 4.532 4.033 0.499 1
1 1336 . 1 1 1 A 128 128 LEU CB C 751 45.503 42.248 3.255 1
1 1349 . 1 1 1 A 129 129 SER N N 752 118.455 112.364 6.091 1
1 1350 . 1 1 1 A 129 129 SER H H 752 8.225 7.846 0.379 1
1 1351 . 1 1 1 A 129 129 SER CA C 752 56.129 58.812 -2.683 1
1 1352 . 1 1 1 A 129 129 SER HA H 752 4.434 4.631 -0.197 1
1 1353 . 1 1 1 A 129 129 SER CB C 752 63.911 65.835 -1.924 1
1 1356 . 1 1 1 A 130 130 PRO CA C 753 61.355 63.782 -2.427 1
1 1357 . 1 1 1 A 130 130 PRO HA H 753 5.026 4.607 0.419 1
1 1358 . 1 1 1 A 130 130 PRO CB C 753 32.831 33.041 -0.210 1
1 1366 . 1 1 1 A 131 131 PRO CA C 754 62.470 63.303 -0.833 1
1 1367 . 1 1 1 A 131 131 PRO HA H 754 4.651 4.236 0.415 1
1 1368 . 1 1 1 A 131 131 PRO CB C 754 32.403 32.231 0.172 1
1 1377 . 1 1 1 A 132 132 TYR N N 755 121.321 122.317 -0.996 1
1 1378 . 1 1 1 A 132 132 TYR H H 755 9.635 7.798 1.837 1
1 1379 . 1 1 1 A 132 132 TYR CA C 755 60.382 57.598 2.784 1
1 1380 . 1 1 1 A 132 132 TYR HA H 755 4.433 4.852 -0.419 1
1 1381 . 1 1 1 A 132 132 TYR CB C 755 38.713 39.127 -0.414 1
1 1388 . 1 1 1 A 133 133 SER N N 756 114.917 117.085 -2.168 1
1 1389 . 1 1 1 A 133 133 SER H H 756 9.343 8.747 0.596 1
1 1390 . 1 1 1 A 133 133 SER CA C 756 58.776 57.576 1.200 1
1 1391 . 1 1 1 A 133 133 SER HA H 756 4.430 4.821 -0.391 1
1 1392 . 1 1 1 A 133 133 SER CB C 756 64.839 65.081 -0.242 1
1 1394 . 1 1 1 A 134 134 SER N N 757 112.021 112.905 -0.884 1
1 1395 . 1 1 1 A 134 134 SER H H 757 7.500 7.612 -0.112 1
1 1396 . 1 1 1 A 134 134 SER CA C 757 56.158 56.069 0.089 1
1 1397 . 1 1 1 A 134 134 SER HA H 757 4.950 5.001 -0.051 1
1 1398 . 1 1 1 A 134 134 SER CB C 757 63.906 65.494 -1.588 1
1 1401 . 1 1 1 A 135 135 PRO CA C 758 64.159 64.510 -0.351 1
1 1402 . 1 1 1 A 135 135 PRO HA H 758 4.132 4.646 -0.514 1
1 1403 . 1 1 1 A 135 135 PRO CB C 758 31.649 32.120 -0.471 1
1 1412 . 1 1 1 A 136 136 GLN N N 759 116.382 117.575 -1.193 1
1 1413 . 1 1 1 A 136 136 GLN H H 759 8.067 8.412 -0.345 1
1 1414 . 1 1 1 A 136 136 GLN CA C 759 59.483 58.349 1.134 1
1 1415 . 1 1 1 A 136 136 GLN HA H 759 3.963 4.231 -0.268 1
1 1416 . 1 1 1 A 136 136 GLN CB C 759 27.414 28.581 -1.167 1
1 1425 . 1 1 1 A 137 137 GLU N N 760 121.764 119.402 2.362 1
1 1426 . 1 1 1 A 137 137 GLU H H 760 7.826 8.313 -0.487 1
1 1427 . 1 1 1 A 137 137 GLU CA C 760 59.184 59.260 -0.076 1
1 1428 . 1 1 1 A 137 137 GLU HA H 760 4.063 3.935 0.128 1
1 1429 . 1 1 1 A 137 137 GLU CB C 760 30.403 29.345 1.058 1
1 1435 . 1 1 1 A 138 138 PHE N N 761 120.582 120.605 -0.023 1
1 1436 . 1 1 1 A 138 138 PHE H H 761 6.900 8.369 -1.469 1
1 1437 . 1 1 1 A 138 138 PHE CA C 761 60.105 61.311 -1.206 1
1 1438 . 1 1 1 A 138 138 PHE HA H 761 3.604 3.508 0.096 1
1 1439 . 1 1 1 A 138 138 PHE CB C 761 38.271 39.219 -0.948 1
1 1448 . 1 1 1 A 139 139 ALA N N 762 120.917 120.446 0.471 1
1 1449 . 1 1 1 A 139 139 ALA H H 762 8.399 8.258 0.141 1
1 1450 . 1 1 1 A 139 139 ALA CA C 762 54.940 54.939 0.001 1
1 1451 . 1 1 1 A 139 139 ALA HA H 762 3.804 3.828 -0.024 1
1 1452 . 1 1 1 A 139 139 ALA CB C 762 18.001 18.432 -0.431 1
1 1456 . 1 1 1 A 140 140 GLN N N 763 119.041 117.667 1.374 1
1 1457 . 1 1 1 A 140 140 GLN H H 763 8.436 8.156 0.280 1
1 1458 . 1 1 1 A 140 140 GLN CA C 763 58.474 58.736 -0.262 1
1 1459 . 1 1 1 A 140 140 GLN HA H 763 4.056 3.920 0.136 1
1 1460 . 1 1 1 A 140 140 GLN CB C 763 28.345 28.337 0.008 1
1 1469 . 1 1 1 A 141 141 ASP N N 764 122.985 120.075 2.910 1
1 1470 . 1 1 1 A 141 141 ASP H H 764 7.694 7.976 -0.282 1
1 1471 . 1 1 1 A 141 141 ASP CA C 764 57.087 56.869 0.218 1
1 1472 . 1 1 1 A 141 141 ASP HA H 764 4.517 4.305 0.212 1
1 1473 . 1 1 1 A 141 141 ASP CB C 764 39.897 40.856 -0.959 1
1 1476 . 1 1 1 A 142 142 VAL N N 765 119.630 119.490 0.140 1
1 1477 . 1 1 1 A 142 142 VAL H H 765 7.431 8.078 -0.647 1
1 1478 . 1 1 1 A 142 142 VAL CA C 765 66.489 65.481 1.008 1
1 1479 . 1 1 1 A 142 142 VAL HA H 765 2.740 3.350 -0.610 1
1 1480 . 1 1 1 A 142 142 VAL CB C 765 30.729 30.289 0.440 1
1 1490 . 1 1 1 A 143 143 GLY N N 766 104.089 107.904 -3.815 1
1 1491 . 1 1 1 A 143 143 GLY H H 766 8.089 8.314 -0.225 1
1 1492 . 1 1 1 A 143 143 GLY CA C 766 47.271 46.346 0.925 1
1 1493 . 1 1 1 A 143 143 GLY HA3 H 766 3.783 3.582 0.201 1
1 1494 . 1 1 1 A 143 143 GLY HA2 H 766 3.870 3.283 0.587 1
1 1495 . 1 1 1 A 144 144 ARG N N 767 123.406 122.218 1.188 1
1 1496 . 1 1 1 A 144 144 ARG H H 767 8.270 8.652 -0.382 1
1 1497 . 1 1 1 A 144 144 ARG CA C 767 59.627 59.191 0.436 1
1 1498 . 1 1 1 A 144 144 ARG HA H 767 4.026 4.000 0.026 1
1 1499 . 1 1 1 A 144 144 ARG CB C 767 30.003 30.365 -0.362 1
1 1507 . 1 1 1 A 145 145 MET N N 768 121.310 119.026 2.284 1
1 1508 . 1 1 1 A 145 145 MET H H 768 8.053 8.613 -0.560 1
1 1509 . 1 1 1 A 145 145 MET CA C 768 58.727 58.927 -0.200 1
1 1510 . 1 1 1 A 145 145 MET HA H 768 3.932 4.117 -0.185 1
1 1511 . 1 1 1 A 145 145 MET CB C 768 31.536 31.870 -0.334 1
1 1521 . 1 1 1 A 146 146 PHE N N 769 117.125 118.293 -1.168 1
1 1522 . 1 1 1 A 146 146 PHE H H 769 8.005 8.430 -0.425 1
1 1523 . 1 1 1 A 146 146 PHE CA C 769 59.441 61.431 -1.990 1
1 1524 . 1 1 1 A 146 146 PHE HA H 769 4.582 4.521 0.061 1
1 1525 . 1 1 1 A 146 146 PHE CB C 769 37.558 38.552 -0.994 1
1 1534 . 1 1 1 A 147 147 LYS N N 770 119.226 118.121 1.105 1
1 1535 . 1 1 1 A 147 147 LYS H H 770 8.078 7.891 0.187 1
1 1536 . 1 1 1 A 147 147 LYS CA C 770 59.479 59.536 -0.057 1
1 1537 . 1 1 1 A 147 147 LYS HA H 770 4.153 3.966 0.187 1
1 1538 . 1 1 1 A 147 147 LYS CB C 770 32.336 32.239 0.097 1
1 1547 . 1 1 1 A 148 148 GLN N N 771 118.870 118.199 0.671 1
1 1548 . 1 1 1 A 148 148 GLN H H 771 8.338 8.434 -0.096 1
1 1549 . 1 1 1 A 148 148 GLN CA C 771 58.440 57.631 0.809 1
1 1550 . 1 1 1 A 148 148 GLN HA H 771 4.140 4.150 -0.010 1
1 1551 . 1 1 1 A 148 148 GLN CB C 771 28.382 28.708 -0.326 1
1 1560 . 1 1 1 A 149 149 PHE N N 772 120.162 122.571 -2.409 1
1 1561 . 1 1 1 A 149 149 PHE H H 772 8.411 8.606 -0.195 1
1 1562 . 1 1 1 A 149 149 PHE CA C 772 60.460 61.159 -0.699 1
1 1563 . 1 1 1 A 149 149 PHE HA H 772 4.433 4.137 0.296 1
1 1564 . 1 1 1 A 149 149 PHE CB C 772 39.428 39.181 0.247 1
1 1573 . 1 1 1 A 150 150 ASN N N 773 117.836 117.303 0.533 1
1 1574 . 1 1 1 A 150 150 ASN H H 773 8.279 8.423 -0.144 1
1 1575 . 1 1 1 A 150 150 ASN HA H 773 4.375 4.377 -0.002 1
1 1576 . 1 1 1 A 150 150 ASN CB C 773 38.977 38.493 0.484 1
1 1582 . 1 1 1 A 151 151 LYS N N 774 118.045 116.337 1.708 1
1 1583 . 1 1 1 A 151 151 LYS H H 774 7.648 7.506 0.142 1
1 1584 . 1 1 1 A 151 151 LYS CA C 774 57.563 56.810 0.753 1
1 1585 . 1 1 1 A 151 151 LYS HA H 774 4.225 4.421 -0.196 1
1 1586 . 1 1 1 A 151 151 LYS CB C 774 32.333 33.118 -0.785 1
1 1595 . 1 1 1 A 152 152 LEU N N 775 119.031 118.368 0.663 1
1 1596 . 1 1 1 A 152 152 LEU H H 775 7.825 7.835 -0.010 1
1 1597 . 1 1 1 A 152 152 LEU CA C 775 55.990 56.475 -0.485 1
1 1598 . 1 1 1 A 152 152 LEU HA H 775 4.270 4.274 -0.004 1
1 1599 . 1 1 1 A 152 152 LEU CB C 775 42.487 42.171 0.316 1
1 1612 . 1 1 1 A 153 153 THR N N 776 110.107 112.230 -2.123 1
1 1613 . 1 1 1 A 153 153 THR H H 776 7.525 7.911 -0.386 1
1 1614 . 1 1 1 A 153 153 THR CA C 776 61.535 65.641 -4.106 1
1 1615 . 1 1 1 A 153 153 THR HA H 776 4.332 4.169 0.163 1
1 1616 . 1 1 1 A 153 153 THR CB C 776 69.570 68.253 1.317 1
1 1622 . 1 1 1 A 154 154 GLU N N 777 122.427 117.582 4.845 1
1 1623 . 1 1 1 A 154 154 GLU H H 777 8.027 7.894 0.133 1
1 1624 . 1 1 1 A 154 154 GLU CA C 777 57.720 58.141 -0.421 1
1 1625 . 1 1 1 A 154 154 GLU HA H 777 4.216 3.998 0.218 1
1 1626 . 1 1 1 A 154 154 GLU CB C 777 29.977 27.707 2.270 1
1 1631 . 1 1 1 A 155 155 ASP N N 778 119.283 118.483 0.800 1
1 1632 . 1 1 1 A 155 155 ASP H H 778 8.372 8.159 0.213 1
1 1633 . 1 1 1 A 155 155 ASP CA C 778 54.709 54.876 -0.167 1
1 1634 . 1 1 1 A 155 155 ASP HA H 778 4.602 4.703 -0.101 1
1 1635 . 1 1 1 A 155 155 ASP CB C 778 40.600 41.994 -1.394 1
1 1638 . 1 1 1 A 156 156 LYS N N 779 120.684 119.628 1.056 1
1 1639 . 1 1 1 A 156 156 LYS H H 779 8.068 7.881 0.187 1
1 1640 . 1 1 1 A 156 156 LYS CA C 779 56.388 57.249 -0.861 1
1 1641 . 1 1 1 A 156 156 LYS HA H 779 4.333 4.171 0.162 1
1 1642 . 1 1 1 A 156 156 LYS CB C 779 32.814 32.782 0.032 1
1 1651 . 1 1 1 A 157 157 ALA N N 780 123.182 123.754 -0.572 1
1 1652 . 1 1 1 A 157 157 ALA H H 780 8.197 7.784 0.413 1
1 1653 . 1 1 1 A 157 157 ALA CA C 780 52.591 54.251 -1.660 1
1 1654 . 1 1 1 A 157 157 ALA HA H 780 4.337 4.288 0.049 1
1 1655 . 1 1 1 A 157 157 ALA CB C 780 19.186 19.559 -0.373 1
1 1659 . 1 1 1 A 158 158 ASP N N 781 118.794 113.432 5.362 1
1 1660 . 1 1 1 A 158 158 ASP H H 781 8.222 7.481 0.741 1
1 1661 . 1 1 1 A 158 158 ASP CA C 781 54.003 55.385 -1.382 1
1 1662 . 1 1 1 A 158 158 ASP HA H 781 4.673 4.702 -0.029 1
1 1663 . 1 1 1 A 158 158 ASP CB C 781 41.075 41.970 -0.895 1
1 1666 . 1 1 1 A 159 159 VAL N N 782 120.713 117.369 3.344 1
1 1667 . 1 1 1 A 159 159 VAL H H 782 8.039 8.265 -0.226 1
1 1668 . 1 1 1 A 159 159 VAL CA C 782 63.898 64.145 -0.247 1
1 1669 . 1 1 1 A 159 159 VAL HA H 782 4.028 3.991 0.037 1
1 1670 . 1 1 1 A 159 159 VAL CB C 782 32.181 32.444 -0.263 1
1 1680 . 1 1 1 A 160 160 GLN N N 783 120.756 122.227 -1.471 1
1 1681 . 1 1 1 A 160 160 GLN H H 783 8.370 8.361 0.009 1
1 1682 . 1 1 1 A 160 160 GLN CA C 783 57.563 57.702 -0.139 1
1 1683 . 1 1 1 A 160 160 GLN HA H 783 4.219 3.998 0.221 1
1 1684 . 1 1 1 A 160 160 GLN CB C 783 28.410 28.221 0.189 1
1 1691 . 1 1 1 A 161 161 SER N N 784 116.111 114.273 1.838 1
1 1692 . 1 1 1 A 161 161 SER H H 784 8.190 7.729 0.461 1
1 1693 . 1 1 1 A 161 161 SER CA C 784 60.089 61.058 -0.969 1
1 1694 . 1 1 1 A 161 161 SER HA H 784 4.361 4.310 0.051 1
1 1695 . 1 1 1 A 161 161 SER CB C 784 62.955 62.756 0.199 1
1 1698 . 1 1 1 A 162 162 ILE N N 785 122.105 121.653 0.452 1
1 1699 . 1 1 1 A 162 162 ILE H H 785 8.014 7.583 0.431 1
1 1700 . 1 1 1 A 162 162 ILE CA C 785 62.963 64.981 -2.018 1
1 1701 . 1 1 1 A 162 162 ILE HA H 785 3.986 3.225 0.761 1
1 1702 . 1 1 1 A 162 162 ILE CB C 785 37.568 37.577 -0.009 1
1 1715 . 1 1 1 A 163 163 ILE N N 786 122.150 119.255 2.895 1
1 1716 . 1 1 1 A 163 163 ILE H H 786 7.913 8.567 -0.654 1
1 1717 . 1 1 1 A 163 163 ILE CA C 786 64.074 64.831 -0.757 1
1 1718 . 1 1 1 A 163 163 ILE HA H 786 3.947 3.572 0.375 1
1 1719 . 1 1 1 A 163 163 ILE CB C 786 37.561 37.922 -0.361 1
1 1732 . 1 1 1 A 164 164 GLY N N 787 107.177 107.793 -0.616 1
1 1733 . 1 1 1 A 164 164 GLY H H 787 8.057 8.085 -0.028 1
1 1734 . 1 1 1 A 164 164 GLY CA C 787 46.938 46.806 0.132 1
1 1735 . 1 1 1 A 164 164 GLY HA3 H 787 3.907 3.841 0.066 1
1 1736 . 1 1 1 A 164 164 GLY HA2 H 787 4.007 3.810 0.197 1
1 1737 . 1 1 1 A 165 165 LEU N N 788 123.590 122.911 0.679 1
1 1738 . 1 1 1 A 165 165 LEU H H 788 7.676 7.634 0.042 1
1 1739 . 1 1 1 A 165 165 LEU CA C 788 57.738 57.560 0.178 1
1 1740 . 1 1 1 A 165 165 LEU HA H 788 4.052 3.774 0.278 1
1 1741 . 1 1 1 A 165 165 LEU CB C 788 40.833 41.533 -0.700 1
1 1753 . 1 1 1 A 166 166 GLN N N 789 119.114 118.036 1.078 1
1 1754 . 1 1 1 A 166 166 GLN H H 789 7.956 8.522 -0.566 1
1 1755 . 1 1 1 A 166 166 GLN CA C 789 59.445 58.803 0.642 1
1 1756 . 1 1 1 A 166 166 GLN HA H 789 3.844 3.449 0.395 1
1 1757 . 1 1 1 A 166 166 GLN CB C 789 27.826 28.060 -0.234 1
1 1765 . 1 1 1 A 167 167 ARG N N 790 118.851 120.161 -1.310 1
1 1766 . 1 1 1 A 167 167 ARG H H 790 8.387 8.249 0.138 1
1 1767 . 1 1 1 A 167 167 ARG CA C 790 58.942 59.214 -0.272 1
1 1768 . 1 1 1 A 167 167 ARG HA H 790 4.191 4.140 0.051 1
1 1769 . 1 1 1 A 167 167 ARG CB C 790 29.829 30.437 -0.608 1
1 1776 . 1 1 1 A 168 168 PHE N N 791 122.408 121.064 1.344 1
1 1777 . 1 1 1 A 168 168 PHE H H 791 8.127 7.961 0.166 1
1 1778 . 1 1 1 A 168 168 PHE CA C 791 61.976 61.553 0.423 1
1 1779 . 1 1 1 A 168 168 PHE HA H 791 4.164 4.526 -0.362 1
1 1780 . 1 1 1 A 168 168 PHE CB C 791 38.894 39.226 -0.332 1
1 1788 . 1 1 1 A 169 169 PHE N N 792 119.223 120.641 -1.418 1
1 1789 . 1 1 1 A 169 169 PHE H H 792 8.500 9.298 -0.798 1
1 1790 . 1 1 1 A 169 169 PHE CA C 792 61.093 62.249 -1.156 1
1 1791 . 1 1 1 A 169 169 PHE HA H 792 4.053 4.509 -0.456 1
1 1792 . 1 1 1 A 169 169 PHE CB C 792 39.182 39.666 -0.484 1
1 1800 . 1 1 1 A 170 170 GLU N N 793 119.089 118.165 0.924 1
1 1801 . 1 1 1 A 170 170 GLU H H 793 8.718 8.332 0.386 1
1 1802 . 1 1 1 A 170 170 GLU CA C 793 59.843 59.180 0.663 1
1 1803 . 1 1 1 A 170 170 GLU HA H 793 3.483 3.621 -0.138 1
1 1804 . 1 1 1 A 170 170 GLU CB C 793 29.372 29.503 -0.131 1
1 1810 . 1 1 1 A 171 171 THR N N 794 115.081 117.486 -2.405 1
1 1811 . 1 1 1 A 171 171 THR H H 794 8.205 8.031 0.174 1
1 1812 . 1 1 1 A 171 171 THR CA C 794 66.661 66.720 -0.059 1
1 1813 . 1 1 1 A 171 171 THR HA H 794 3.935 3.685 0.250 1
1 1814 . 1 1 1 A 171 171 THR CB C 794 68.604 68.577 0.027 1
1 1820 . 1 1 1 A 172 172 ARG N N 795 120.165 118.783 1.382 1
1 1821 . 1 1 1 A 172 172 ARG H H 795 7.776 7.908 -0.132 1
1 1822 . 1 1 1 A 172 172 ARG CA C 795 57.535 59.788 -2.253 1
1 1823 . 1 1 1 A 172 172 ARG HA H 795 4.030 3.978 0.052 1
1 1824 . 1 1 1 A 172 172 ARG CB C 795 29.886 30.058 -0.172 1
1 1828 . 1 1 1 A 173 173 MET N N 796 120.347 118.963 1.384 1
1 1829 . 1 1 1 A 173 173 MET H H 796 8.503 8.129 0.374 1
1 1830 . 1 1 1 A 173 173 MET CA C 796 57.453 58.379 -0.926 1
1 1831 . 1 1 1 A 173 173 MET HA H 796 4.383 4.148 0.235 1
1 1832 . 1 1 1 A 173 173 MET CB C 796 30.469 31.904 -1.435 1
1 1840 . 1 1 1 A 174 174 ASN N N 797 119.200 117.663 1.537 1
1 1841 . 1 1 1 A 174 174 ASN H H 797 8.351 8.017 0.334 1
1 1842 . 1 1 1 A 174 174 ASN CA C 797 55.851 56.200 -0.349 1
1 1843 . 1 1 1 A 174 174 ASN HA H 797 4.510 4.385 0.125 1
1 1844 . 1 1 1 A 174 174 ASN CB C 797 38.213 38.315 -0.102 1
1 1850 . 1 1 1 A 175 175 GLU N N 798 119.589 119.245 0.344 1
1 1851 . 1 1 1 A 175 175 GLU H H 798 7.896 8.244 -0.348 1
1 1852 . 1 1 1 A 175 175 GLU CA C 798 59.033 59.042 -0.009 1
1 1853 . 1 1 1 A 175 175 GLU HA H 798 3.967 4.254 -0.287 1
1 1854 . 1 1 1 A 175 175 GLU CB C 798 29.296 29.529 -0.233 1
1 1860 . 1 1 1 A 176 176 ALA N N 799 116.937 122.442 -5.505 1
1 1861 . 1 1 1 A 176 176 ALA H H 799 8.030 8.523 -0.493 1
1 1862 . 1 1 1 A 176 176 ALA CA C 799 54.179 54.977 -0.798 1
1 1863 . 1 1 1 A 176 176 ALA HA H 799 4.085 4.174 -0.089 1
1 1864 . 1 1 1 A 176 176 ALA CB C 799 19.432 18.686 0.746 1
1 1868 . 1 1 1 A 177 177 PHE N N 800 112.840 115.360 -2.520 1
1 1869 . 1 1 1 A 177 177 PHE H H 800 8.544 7.894 0.650 1
1 1870 . 1 1 1 A 177 177 PHE CA C 800 59.182 58.090 1.092 1
1 1871 . 1 1 1 A 177 177 PHE HA H 800 4.515 4.725 -0.210 1
1 1872 . 1 1 1 A 177 177 PHE CB C 800 39.642 38.288 1.354 1
1 1881 . 1 1 1 A 178 178 GLY N N 801 110.339 107.354 2.985 1
1 1882 . 1 1 1 A 178 178 GLY H H 801 7.974 7.564 0.410 1
1 1883 . 1 1 1 A 178 178 GLY CA C 801 45.607 46.189 -0.582 1
1 1884 . 1 1 1 A 178 178 GLY HA3 H 801 3.988 4.274 -0.286 1
1 1885 . 1 1 1 A 178 178 GLY HA2 H 801 4.031 4.145 -0.114 1
1 1886 . 1 1 1 A 179 179 ASP N N 802 119.627 120.492 -0.865 1
1 1887 . 1 1 1 A 179 179 ASP H H 802 8.185 8.198 -0.013 1
1 1888 . 1 1 1 A 179 179 ASP CA C 802 53.949 53.257 0.692 1
1 1889 . 1 1 1 A 179 179 ASP HA H 802 4.679 4.913 -0.234 1
1 1890 . 1 1 1 A 179 179 ASP CB C 802 41.070 42.811 -1.741 1
1 1892 . 1 1 1 A 180 180 THR N N 803 113.769 114.695 -0.926 1
1 1893 . 1 1 1 A 180 180 THR H H 803 8.037 8.201 -0.164 1
1 1894 . 1 1 1 A 180 180 THR CA C 803 61.885 63.354 -1.469 1
1 1895 . 1 1 1 A 180 180 THR HA H 803 4.331 4.361 -0.030 1
1 1896 . 1 1 1 A 180 180 THR CB C 803 70.002 66.735 3.267 1
1 1902 . 1 1 1 A 181 181 LYS N N 804 122.277 123.516 -1.239 1
1 1903 . 1 1 1 A 181 181 LYS H H 804 8.198 7.802 0.396 1
1 1904 . 1 1 1 A 181 181 LYS CA C 804 56.652 57.762 -1.110 1
1 1905 . 1 1 1 A 181 181 LYS HA H 804 4.151 4.333 -0.182 1
1 1906 . 1 1 1 A 181 181 LYS CB C 804 32.377 32.744 -0.367 1
1 1914 . 1 1 1 A 182 182 PHE N N 805 119.784 118.213 1.571 1
1 1915 . 1 1 1 A 182 182 PHE H H 805 8.206 7.987 0.219 1
1 1916 . 1 1 1 A 182 182 PHE CA C 805 57.256 59.583 -2.327 1
1 1917 . 1 1 1 A 182 182 PHE HA H 805 4.664 4.362 0.302 1
1 1918 . 1 1 1 A 182 182 PHE CB C 805 38.774 39.150 -0.376 1
1 1927 . 1 1 1 A 183 183 SER N N 806 123.742 110.643 13.099 1
1 1928 . 1 1 1 A 183 183 SER H H 806 8.121 8.194 -0.073 1
1 1929 . 1 1 1 A 183 183 SER CA C 806 58.203 57.341 0.862 1
1 1930 . 1 1 1 A 183 183 SER HA H 806 4.361 4.894 -0.533 1
1 1931 . 1 1 1 A 183 183 SER CB C 806 63.764 65.336 -1.572 1
1 1934 . 1 1 1 A 184 184 ALA N N 807 125.704 127.065 -1.361 1
1 1935 . 1 1 1 A 184 184 ALA H H 807 8.286 8.829 -0.543 1
1 1936 . 1 1 1 A 184 184 ALA CA C 807 52.574 53.224 -0.650 1
1 1937 . 1 1 1 A 184 184 ALA HA H 807 4.360 4.273 0.087 1
1 1938 . 1 1 1 A 184 184 ALA CB C 807 18.947 19.214 -0.267 1
1 1942 . 1 1 1 A 185 185 VAL N N 808 118.271 114.086 4.185 1
1 1943 . 1 1 1 A 185 185 VAL H H 808 7.958 7.466 0.492 1
1 1944 . 1 1 1 A 185 185 VAL CA C 808 62.216 61.736 0.480 1
1 1945 . 1 1 1 A 185 185 VAL HA H 808 4.151 4.220 -0.069 1
1 1946 . 1 1 1 A 185 185 VAL CB C 808 32.178 31.881 0.297 1
1 1952 . 1 1 1 A 186 186 LEU N N 809 125.280 120.354 4.926 1
1 1953 . 1 1 1 A 186 186 LEU H H 809 8.195 7.556 0.639 1
1 1954 . 1 1 1 A 186 186 LEU CA C 809 54.474 54.626 -0.152 1
1 1955 . 1 1 1 A 186 186 LEU HA H 809 4.430 4.409 0.021 1
1 1956 . 1 1 1 A 186 186 LEU CB C 809 42.303 42.418 -0.115 1
1 1968 . 1 1 1 A 187 187 VAL N N 810 120.937 110.988 9.949 1
1 1969 . 1 1 1 A 187 187 VAL H H 810 7.985 7.455 0.530 1
1 1970 . 1 1 1 A 187 187 VAL CA C 810 62.004 62.752 -0.748 1
1 1971 . 1 1 1 A 187 187 VAL HA H 810 4.155 4.231 -0.076 1
1 1972 . 1 1 1 A 187 187 VAL CB C 810 32.602 31.938 0.664 1
1 1979 . 1 1 1 A 188 188 GLU N N 811 126.353 123.100 3.253 1
1 1980 . 1 1 1 A 188 188 GLU H H 811 8.292 7.724 0.568 1
1 1981 . 1 1 1 A 188 188 GLU CA C 811 54.162 52.920 1.242 1
1 1982 . 1 1 1 A 188 188 GLU HA H 811 4.609 4.657 -0.048 1
1 1983 . 1 1 1 A 188 188 GLU CB C 811 29.775 30.704 -0.929 1
1 1 . 2 1 1 A 2 2 ALA CA C 625 52.969 50.764 2.205 1
1 2 . 2 1 1 A 2 2 ALA HA H 625 4.493 4.576 -0.083 1
1 3 . 2 1 1 A 2 2 ALA CB C 625 19.272 20.153 -0.881 1
1 7 . 2 1 1 A 3 3 THR N N 626 113.570 118.712 -5.142 1
1 8 . 2 1 1 A 3 3 THR H H 626 8.176 8.770 -0.594 1
1 9 . 2 1 1 A 3 3 THR CA C 626 61.314 67.194 -5.880 1
1 10 . 2 1 1 A 3 3 THR HA H 626 4.298 3.859 0.439 1
1 11 . 2 1 1 A 3 3 THR CB C 626 69.270 69.015 0.255 1
1 17 . 2 1 1 A 4 4 ILE N N 627 115.272 119.469 -4.197 1
1 18 . 2 1 1 A 4 4 ILE H H 627 7.549 7.906 -0.357 1
1 19 . 2 1 1 A 4 4 ILE CA C 627 58.731 61.828 -3.097 1
1 20 . 2 1 1 A 4 4 ILE HA H 627 4.258 4.576 -0.318 1
1 21 . 2 1 1 A 4 4 ILE CB C 627 42.246 35.729 6.517 1
1 34 . 2 1 1 A 5 5 CYS N N 628 124.095 125.305 -1.210 1
1 35 . 2 1 1 A 5 5 CYS H H 628 7.766 8.787 -1.021 1
1 36 . 2 1 1 A 5 5 CYS CA C 628 57.978 58.078 -0.100 1
1 37 . 2 1 1 A 5 5 CYS HA H 628 3.781 4.919 -1.138 1
1 38 . 2 1 1 A 5 5 CYS CB C 628 31.436 26.394 5.042 1
1 41 . 2 1 1 A 6 6 ARG N N 629 129.928 127.270 2.658 1
1 42 . 2 1 1 A 6 6 ARG H H 629 9.040 8.298 0.742 1
1 43 . 2 1 1 A 6 6 ARG CA C 629 57.514 59.824 -2.310 1
1 44 . 2 1 1 A 6 6 ARG HA H 629 3.900 4.000 -0.100 1
1 45 . 2 1 1 A 6 6 ARG CB C 629 30.251 30.055 0.196 1
1 54 . 2 1 1 A 7 7 VAL N N 630 118.166 120.191 -2.025 1
1 55 . 2 1 1 A 7 7 VAL H H 630 8.734 8.349 0.385 1
1 56 . 2 1 1 A 7 7 VAL CA C 630 65.770 67.083 -1.313 1
1 57 . 2 1 1 A 7 7 VAL HA H 630 4.137 3.838 0.299 1
1 58 . 2 1 1 A 7 7 VAL CB C 630 33.079 31.677 1.402 1
1 68 . 2 1 1 A 8 8 CYS N N 631 116.148 117.693 -1.545 1
1 69 . 2 1 1 A 8 8 CYS H H 631 8.143 8.169 -0.026 1
1 70 . 2 1 1 A 8 8 CYS CA C 631 59.154 61.151 -1.997 1
1 71 . 2 1 1 A 8 8 CYS HA H 631 5.105 4.558 0.547 1
1 72 . 2 1 1 A 8 8 CYS CB C 631 31.184 28.346 2.838 1
1 75 . 2 1 1 A 9 9 GLN N N 632 115.248 116.836 -1.588 1
1 76 . 2 1 1 A 9 9 GLN H H 632 8.132 9.030 -0.898 1
1 77 . 2 1 1 A 9 9 GLN CA C 632 57.404 57.375 0.029 1
1 78 . 2 1 1 A 9 9 GLN HA H 632 4.068 3.961 0.107 1
1 79 . 2 1 1 A 9 9 GLN CB C 632 26.002 26.257 -0.255 1
1 88 . 2 1 1 A 10 10 LYS N N 633 118.420 118.829 -0.409 1
1 89 . 2 1 1 A 10 10 LYS H H 633 8.091 7.863 0.228 1
1 90 . 2 1 1 A 10 10 LYS CA C 633 53.835 52.700 1.135 1
1 91 . 2 1 1 A 10 10 LYS HA H 633 5.046 4.759 0.287 1
1 92 . 2 1 1 A 10 10 LYS CB C 633 33.312 33.618 -0.306 1
1 102 . 2 1 1 A 11 11 PRO CA C 634 62.136 63.244 -1.108 1
1 103 . 2 1 1 A 11 11 PRO HA H 634 5.056 4.522 0.534 1
1 104 . 2 1 1 A 11 11 PRO CB C 634 33.061 32.682 0.379 1
1 112 . 2 1 1 A 12 12 GLY N N 635 106.958 107.663 -0.705 1
1 113 . 2 1 1 A 12 12 GLY H H 635 8.475 7.996 0.479 1
1 114 . 2 1 1 A 12 12 GLY CA C 635 45.303 45.553 -0.250 1
1 115 . 2 1 1 A 12 12 GLY HA3 H 635 3.812 4.326 -0.514 1
1 116 . 2 1 1 A 12 12 GLY HA2 H 635 4.438 4.246 0.192 1
1 117 . 2 1 1 A 13 13 ASP N N 636 124.001 122.115 1.886 1
1 118 . 2 1 1 A 13 13 ASP H H 636 8.729 8.543 0.186 1
1 119 . 2 1 1 A 13 13 ASP CA C 636 54.239 52.829 1.410 1
1 120 . 2 1 1 A 13 13 ASP HA H 636 4.656 4.682 -0.026 1
1 121 . 2 1 1 A 13 13 ASP CB C 636 39.425 39.090 0.335 1
1 124 . 2 1 1 A 14 14 LEU N N 637 121.435 123.119 -1.684 1
1 125 . 2 1 1 A 14 14 LEU H H 637 7.849 7.444 0.405 1
1 126 . 2 1 1 A 14 14 LEU CA C 637 53.306 54.809 -1.503 1
1 127 . 2 1 1 A 14 14 LEU HA H 637 4.546 4.560 -0.014 1
1 128 . 2 1 1 A 14 14 LEU CB C 637 44.117 42.239 1.878 1
1 141 . 2 1 1 A 15 15 VAL N N 638 118.100 123.406 -5.306 1
1 142 . 2 1 1 A 15 15 VAL H H 638 8.703 8.580 0.123 1
1 143 . 2 1 1 A 15 15 VAL CA C 638 59.865 60.312 -0.447 1
1 144 . 2 1 1 A 15 15 VAL HA H 638 4.383 4.482 -0.099 1
1 145 . 2 1 1 A 15 15 VAL CB C 638 33.305 32.555 0.750 1
1 155 . 2 1 1 A 16 16 MET N N 639 125.271 128.094 -2.823 1
1 156 . 2 1 1 A 16 16 MET H H 639 8.519 8.839 -0.320 1
1 157 . 2 1 1 A 16 16 MET CA C 639 54.122 54.554 -0.432 1
1 158 . 2 1 1 A 16 16 MET HA H 639 5.210 6.072 -0.862 1
1 159 . 2 1 1 A 16 16 MET CB C 639 36.310 33.711 2.599 1
1 169 . 2 1 1 A 17 17 CYS N N 640 129.455 122.293 7.162 1
1 170 . 2 1 1 A 17 17 CYS H H 640 9.139 8.905 0.234 1
1 171 . 2 1 1 A 17 17 CYS CA C 640 59.996 59.892 0.104 1
1 172 . 2 1 1 A 17 17 CYS HA H 640 4.658 4.168 0.490 1
1 173 . 2 1 1 A 17 17 CYS CB C 640 31.238 28.571 2.667 1
1 176 . 2 1 1 A 18 18 ASN N N 641 128.271 126.670 1.601 1
1 177 . 2 1 1 A 18 18 ASN H H 641 8.914 9.015 -0.101 1
1 178 . 2 1 1 A 18 18 ASN CA C 641 55.658 54.520 1.138 1
1 179 . 2 1 1 A 18 18 ASN HA H 641 4.584 4.573 0.011 1
1 180 . 2 1 1 A 18 18 ASN CB C 641 38.955 37.337 1.618 1
1 186 . 2 1 1 A 19 19 GLN N N 642 121.426 117.439 3.987 1
1 187 . 2 1 1 A 19 19 GLN H H 642 9.313 7.440 1.873 1
1 188 . 2 1 1 A 19 19 GLN CA C 642 57.971 56.505 1.466 1
1 189 . 2 1 1 A 19 19 GLN HA H 642 4.502 4.474 0.028 1
1 190 . 2 1 1 A 19 19 GLN CB C 642 30.466 30.504 -0.038 1
1 197 . 2 1 1 A 20 20 CYS N N 643 120.207 115.055 5.152 1
1 198 . 2 1 1 A 20 20 CYS H H 643 8.542 8.081 0.461 1
1 199 . 2 1 1 A 20 20 CYS CA C 643 59.473 60.122 -0.649 1
1 200 . 2 1 1 A 20 20 CYS HA H 643 4.663 4.562 0.101 1
1 201 . 2 1 1 A 20 20 CYS CB C 643 31.889 29.647 2.242 1
1 204 . 2 1 1 A 21 21 GLU N N 644 114.113 114.749 -0.636 1
1 205 . 2 1 1 A 21 21 GLU H H 644 7.441 7.877 -0.436 1
1 206 . 2 1 1 A 21 21 GLU CA C 644 57.994 56.930 1.064 1
1 207 . 2 1 1 A 21 21 GLU HA H 644 4.285 4.485 -0.200 1
1 208 . 2 1 1 A 21 21 GLU CB C 644 26.843 31.216 -4.373 1
1 214 . 2 1 1 A 22 22 PHE N N 645 120.911 121.441 -0.530 1
1 215 . 2 1 1 A 22 22 PHE H H 645 8.941 8.238 0.703 1
1 216 . 2 1 1 A 22 22 PHE CA C 645 57.356 58.778 -1.422 1
1 217 . 2 1 1 A 22 22 PHE HA H 645 4.777 4.476 0.301 1
1 218 . 2 1 1 A 22 22 PHE CB C 645 38.709 39.658 -0.949 1
1 226 . 2 1 1 A 23 23 CYS N N 646 115.830 120.223 -4.393 1
1 227 . 2 1 1 A 23 23 CYS H H 646 8.137 8.784 -0.647 1
1 228 . 2 1 1 A 23 23 CYS CA C 646 56.600 57.485 -0.885 1
1 229 . 2 1 1 A 23 23 CYS HA H 646 5.813 5.711 0.102 1
1 230 . 2 1 1 A 23 23 CYS CB C 646 30.951 31.148 -0.197 1
1 233 . 2 1 1 A 24 24 PHE N N 647 116.053 120.909 -4.856 1
1 234 . 2 1 1 A 24 24 PHE H H 647 9.011 8.656 0.355 1
1 235 . 2 1 1 A 24 24 PHE CA C 647 56.827 56.672 0.155 1
1 236 . 2 1 1 A 24 24 PHE HA H 647 5.910 4.744 1.166 1
1 237 . 2 1 1 A 24 24 PHE CB C 647 44.608 43.077 1.531 1
1 246 . 2 1 1 A 25 25 HIS N N 648 120.957 122.300 -1.343 1
1 247 . 2 1 1 A 25 25 HIS H H 648 8.427 8.692 -0.265 1
1 248 . 2 1 1 A 25 25 HIS CA C 648 58.971 56.198 2.773 1
1 249 . 2 1 1 A 25 25 HIS HA H 648 4.929 4.524 0.405 1
1 250 . 2 1 1 A 25 25 HIS CB C 648 31.178 29.697 1.481 1
1 257 . 2 1 1 A 26 26 LEU N N 649 123.176 117.066 6.110 1
1 258 . 2 1 1 A 26 26 LEU H H 649 9.369 7.975 1.394 1
1 259 . 2 1 1 A 26 26 LEU CA C 649 59.646 57.541 2.105 1
1 260 . 2 1 1 A 26 26 LEU HA H 649 3.829 3.788 0.041 1
1 261 . 2 1 1 A 26 26 LEU CB C 649 39.426 39.980 -0.554 1
1 274 . 2 1 1 A 27 27 ASP N N 650 109.058 119.837 -10.779 1
1 275 . 2 1 1 A 27 27 ASP H H 650 8.326 9.198 -0.872 1
1 276 . 2 1 1 A 27 27 ASP CA C 650 53.998 58.056 -4.058 1
1 277 . 2 1 1 A 27 27 ASP HA H 650 4.739 4.341 0.398 1
1 278 . 2 1 1 A 27 27 ASP CB C 650 40.331 41.665 -1.334 1
1 280 . 2 1 1 A 28 28 CYS N N 651 117.495 115.875 1.620 1
1 281 . 2 1 1 A 28 28 CYS H H 651 7.480 7.968 -0.488 1
1 282 . 2 1 1 A 28 28 CYS CA C 651 61.534 61.640 -0.106 1
1 283 . 2 1 1 A 28 28 CYS HA H 651 4.245 4.208 0.037 1
1 284 . 2 1 1 A 28 28 CYS CB C 651 31.646 27.339 4.307 1
1 286 . 2 1 1 A 29 29 HIS N N 652 116.384 122.260 -5.876 1
1 287 . 2 1 1 A 29 29 HIS H H 652 6.894 7.498 -0.604 1
1 288 . 2 1 1 A 29 29 HIS CA C 652 59.713 57.274 2.439 1
1 289 . 2 1 1 A 29 29 HIS HA H 652 3.644 3.579 0.065 1
1 290 . 2 1 1 A 29 29 HIS CB C 652 27.909 30.821 -2.912 1
1 296 . 2 1 1 A 30 30 LEU N N 653 121.110 126.442 -5.332 1
1 297 . 2 1 1 A 30 30 LEU H H 653 4.525 8.424 -3.899 1
1 298 . 2 1 1 A 30 30 LEU CA C 653 51.439 59.416 -7.977 1
1 299 . 2 1 1 A 30 30 LEU HA H 653 4.515 3.460 1.055 1
1 300 . 2 1 1 A 30 30 LEU CB C 653 46.001 41.023 4.978 1
1 312 . 2 1 1 A 31 31 PRO CA C 654 62.964 63.450 -0.486 1
1 313 . 2 1 1 A 31 31 PRO HA H 654 4.471 4.416 0.055 1
1 314 . 2 1 1 A 31 31 PRO CB C 654 34.045 32.557 1.488 1
1 322 . 2 1 1 A 32 32 ALA N N 655 125.871 119.761 6.110 1
1 323 . 2 1 1 A 32 32 ALA H H 655 8.766 8.091 0.675 1
1 324 . 2 1 1 A 32 32 ALA CA C 655 52.771 52.898 -0.127 1
1 325 . 2 1 1 A 32 32 ALA HA H 655 4.349 4.786 -0.437 1
1 326 . 2 1 1 A 32 32 ALA CB C 655 18.177 18.038 0.139 1
1 330 . 2 1 1 A 33 33 LEU N N 656 123.348 123.770 -0.422 1
1 331 . 2 1 1 A 33 33 LEU H H 656 8.230 8.936 -0.706 1
1 332 . 2 1 1 A 33 33 LEU CA C 656 54.014 54.817 -0.803 1
1 333 . 2 1 1 A 33 33 LEU HA H 656 4.445 4.458 -0.013 1
1 334 . 2 1 1 A 33 33 LEU CB C 656 43.197 42.575 0.622 1
1 347 . 2 1 1 A 34 34 GLN N N 657 119.992 119.393 0.599 1
1 348 . 2 1 1 A 34 34 GLN H H 657 8.679 8.742 -0.063 1
1 349 . 2 1 1 A 34 34 GLN CA C 657 56.354 57.317 -0.963 1
1 350 . 2 1 1 A 34 34 GLN HA H 657 4.159 4.464 -0.305 1
1 351 . 2 1 1 A 34 34 GLN CB C 657 29.555 30.523 -0.968 1
1 359 . 2 1 1 A 35 35 ASP N N 658 115.420 116.707 -1.287 1
1 360 . 2 1 1 A 35 35 ASP H H 658 7.457 7.585 -0.128 1
1 361 . 2 1 1 A 35 35 ASP CA C 658 51.696 54.596 -2.900 1
1 362 . 2 1 1 A 35 35 ASP HA H 658 4.626 4.715 -0.089 1
1 363 . 2 1 1 A 35 35 ASP CB C 658 43.431 43.805 -0.374 1
1 366 . 2 1 1 A 36 36 VAL N N 659 122.099 114.088 8.011 1
1 367 . 2 1 1 A 36 36 VAL H H 659 8.624 7.343 1.281 1
1 368 . 2 1 1 A 36 36 VAL CA C 659 60.994 60.634 0.360 1
1 369 . 2 1 1 A 36 36 VAL HA H 659 3.752 4.145 -0.393 1
1 370 . 2 1 1 A 36 36 VAL CB C 659 32.087 34.088 -2.001 1
1 380 . 2 1 1 A 37 37 PRO CA C 660 62.728 63.750 -1.022 1
1 381 . 2 1 1 A 37 37 PRO HA H 660 4.454 4.376 0.078 1
1 382 . 2 1 1 A 37 37 PRO CB C 660 32.835 32.174 0.661 1
1 391 . 2 1 1 A 38 38 GLY N N 661 106.940 109.504 -2.564 1
1 392 . 2 1 1 A 38 38 GLY H H 661 8.189 8.108 0.081 1
1 393 . 2 1 1 A 38 38 GLY CA C 661 44.397 45.288 -0.891 1
1 394 . 2 1 1 A 38 38 GLY HA3 H 661 3.969 4.017 -0.048 1
1 395 . 2 1 1 A 38 38 GLY HA2 H 661 4.190 3.991 0.199 1
1 396 . 2 1 1 A 39 39 GLU N N 662 117.365 125.735 -8.370 1
1 397 . 2 1 1 A 39 39 GLU H H 662 8.281 8.624 -0.343 1
1 398 . 2 1 1 A 39 39 GLU CA C 662 57.520 55.847 1.673 1
1 399 . 2 1 1 A 39 39 GLU HA H 662 4.281 4.528 -0.247 1
1 400 . 2 1 1 A 39 39 GLU CB C 662 30.013 30.896 -0.883 1
1 405 . 2 1 1 A 40 40 GLU N N 663 117.986 118.257 -0.271 1
1 406 . 2 1 1 A 40 40 GLU H H 663 8.697 8.018 0.679 1
1 407 . 2 1 1 A 40 40 GLU CA C 663 56.389 56.126 0.263 1
1 408 . 2 1 1 A 40 40 GLU HA H 663 4.293 4.594 -0.301 1
1 409 . 2 1 1 A 40 40 GLU CB C 663 28.787 30.856 -2.069 1
1 414 . 2 1 1 A 41 41 TRP N N 664 124.391 124.229 0.162 1
1 415 . 2 1 1 A 41 41 TRP H H 664 7.967 7.724 0.243 1
1 416 . 2 1 1 A 41 41 TRP CA C 664 59.934 58.047 1.887 1
1 417 . 2 1 1 A 41 41 TRP HA H 664 4.312 4.764 -0.452 1
1 418 . 2 1 1 A 41 41 TRP CB C 664 29.998 30.394 -0.396 1
1 432 . 2 1 1 A 42 42 SER N N 665 120.355 114.763 5.592 1
1 433 . 2 1 1 A 42 42 SER H H 665 6.873 7.898 -1.025 1
1 434 . 2 1 1 A 42 42 SER CA C 665 55.166 56.642 -1.476 1
1 435 . 2 1 1 A 42 42 SER HA H 665 5.259 4.931 0.328 1
1 436 . 2 1 1 A 42 42 SER CB C 665 65.990 63.281 2.709 1
1 439 . 2 1 1 A 43 43 CYS N N 666 125.642 121.284 4.358 1
1 440 . 2 1 1 A 43 43 CYS H H 666 9.271 7.672 1.599 1
1 441 . 2 1 1 A 43 43 CYS CA C 666 57.325 58.965 -1.640 1
1 442 . 2 1 1 A 43 43 CYS HA H 666 3.952 2.844 1.108 1
1 443 . 2 1 1 A 43 43 CYS CB C 666 34.022 26.665 7.357 1
1 446 . 2 1 1 A 44 44 SER N N 667 117.158 120.434 -3.276 1
1 447 . 2 1 1 A 44 44 SER H H 667 7.068 8.591 -1.523 1
1 448 . 2 1 1 A 44 44 SER CA C 667 61.353 62.020 -0.667 1
1 449 . 2 1 1 A 44 44 SER HA H 667 4.225 4.307 -0.082 1
1 450 . 2 1 1 A 44 44 SER CB C 667 63.693 63.697 -0.004 1
1 453 . 2 1 1 A 45 45 LEU N N 668 120.667 120.328 0.339 1
1 454 . 2 1 1 A 45 45 LEU H H 668 8.965 8.231 0.734 1
1 455 . 2 1 1 A 45 45 LEU CA C 668 57.416 57.176 0.240 1
1 456 . 2 1 1 A 45 45 LEU HA H 668 4.178 4.091 0.087 1
1 457 . 2 1 1 A 45 45 LEU CB C 668 40.611 41.990 -1.379 1
1 470 . 2 1 1 A 46 46 CYS N N 669 121.872 116.506 5.366 1
1 471 . 2 1 1 A 46 46 CYS H H 669 7.816 8.375 -0.559 1
1 472 . 2 1 1 A 46 46 CYS CA C 669 62.557 59.413 3.144 1
1 473 . 2 1 1 A 46 46 CYS HA H 669 3.969 4.504 -0.535 1
1 474 . 2 1 1 A 46 46 CYS CB C 669 30.467 29.398 1.069 1
1 477 . 2 1 1 A 47 47 HIS N N 670 119.396 121.082 -1.686 1
1 478 . 2 1 1 A 47 47 HIS H H 670 8.077 8.073 0.004 1
1 479 . 2 1 1 A 47 47 HIS CA C 670 55.625 58.622 -2.997 1
1 480 . 2 1 1 A 47 47 HIS HA H 670 4.429 4.330 0.099 1
1 481 . 2 1 1 A 47 47 HIS CB C 670 30.326 30.364 -0.038 1
1 488 . 2 1 1 A 48 48 VAL N N 671 123.528 117.604 5.924 1
1 489 . 2 1 1 A 48 48 VAL H H 671 7.978 8.211 -0.233 1
1 490 . 2 1 1 A 48 48 VAL CA C 671 62.120 64.264 -2.144 1
1 491 . 2 1 1 A 48 48 VAL HA H 671 3.925 4.157 -0.232 1
1 492 . 2 1 1 A 48 48 VAL CB C 671 32.396 31.228 1.168 1
1 502 . 2 1 1 A 49 49 LEU N N 672 126.622 125.855 0.767 1
1 503 . 2 1 1 A 49 49 LEU H H 672 8.139 8.725 -0.586 1
1 504 . 2 1 1 A 49 49 LEU CA C 672 52.859 54.020 -1.161 1
1 505 . 2 1 1 A 49 49 LEU HA H 672 4.475 4.240 0.235 1
1 506 . 2 1 1 A 49 49 LEU CB C 672 41.536 41.711 -0.175 1
1 518 . 2 1 1 A 50 50 PRO CA C 673 62.715 66.295 -3.580 1
1 519 . 2 1 1 A 50 50 PRO HA H 673 4.386 4.406 -0.020 1
1 520 . 2 1 1 A 50 50 PRO CB C 673 32.093 31.429 0.664 1
1 528 . 2 1 1 A 51 51 ASP N N 674 120.540 118.055 2.485 1
1 529 . 2 1 1 A 51 51 ASP H H 674 8.307 8.158 0.149 1
1 530 . 2 1 1 A 51 51 ASP CA C 674 54.202 55.638 -1.436 1
1 531 . 2 1 1 A 51 51 ASP HA H 674 4.564 4.286 0.278 1
1 532 . 2 1 1 A 51 51 ASP CB C 674 41.030 40.554 0.476 1
1 535 . 2 1 1 A 52 52 LEU N N 675 122.987 122.832 0.155 1
1 536 . 2 1 1 A 52 52 LEU H H 675 8.053 7.816 0.237 1
1 537 . 2 1 1 A 52 52 LEU CA C 675 54.945 55.669 -0.724 1
1 538 . 2 1 1 A 52 52 LEU HA H 675 4.364 4.149 0.215 1
1 539 . 2 1 1 A 52 52 LEU CB C 675 42.436 41.631 0.805 1
1 551 . 2 1 1 A 53 53 LYS N N 676 122.061 125.773 -3.712 1
1 552 . 2 1 1 A 53 53 LYS H H 676 8.340 8.610 -0.270 1
1 553 . 2 1 1 A 53 53 LYS CA C 676 56.060 60.158 -4.098 1
1 554 . 2 1 1 A 53 53 LYS HA H 676 4.331 3.994 0.337 1
1 555 . 2 1 1 A 53 53 LYS CB C 676 32.363 32.453 -0.090 1
1 564 . 2 1 1 A 54 54 GLU N N 677 121.909 117.882 4.027 1
1 565 . 2 1 1 A 54 54 GLU H H 677 8.403 7.980 0.423 1
1 566 . 2 1 1 A 54 54 GLU CA C 677 56.586 58.270 -1.684 1
1 567 . 2 1 1 A 54 54 GLU HA H 677 4.312 4.147 0.165 1
1 568 . 2 1 1 A 54 54 GLU CB C 677 30.221 28.057 2.164 1
1 573 . 2 1 1 A 55 55 GLU N N 678 121.528 123.066 -1.538 1
1 574 . 2 1 1 A 55 55 GLU H H 678 8.486 8.717 -0.231 1
1 575 . 2 1 1 A 55 55 GLU CA C 678 56.368 57.127 -0.759 1
1 576 . 2 1 1 A 55 55 GLU HA H 678 4.315 4.090 0.225 1
1 577 . 2 1 1 A 55 55 GLU CB C 678 28.896 29.203 -0.307 1
1 582 . 2 1 1 A 56 56 ASP N N 679 121.530 123.961 -2.431 1
1 583 . 2 1 1 A 56 56 ASP H H 679 8.322 9.134 -0.812 1
1 584 . 2 1 1 A 56 56 ASP CA C 679 54.252 54.932 -0.680 1
1 585 . 2 1 1 A 56 56 ASP HA H 679 4.680 4.357 0.323 1
1 586 . 2 1 1 A 56 56 ASP CB C 679 41.146 38.598 2.548 1
1 588 . 2 1 1 A 57 57 GLY N N 680 109.997 109.058 0.939 1
1 589 . 2 1 1 A 57 57 GLY H H 680 8.412 7.641 0.771 1
1 590 . 2 1 1 A 57 57 GLY CA C 680 45.247 46.004 -0.757 1
1 591 . 2 1 1 A 57 57 GLY HA2 H 680 4.020 3.918 0.102 1
1 592 . 2 1 1 A 58 58 SER N N 681 115.994 113.795 2.199 1
1 593 . 2 1 1 A 58 58 SER H H 681 8.280 7.974 0.306 1
1 594 . 2 1 1 A 58 58 SER CA C 681 58.239 57.864 0.375 1
1 595 . 2 1 1 A 58 58 SER HA H 681 3.996 4.718 -0.722 1
1 596 . 2 1 1 A 58 58 SER CB C 681 63.789 65.241 -1.452 1
1 598 . 2 1 1 A 59 59 LEU N N 682 123.362 124.095 -0.733 1
1 599 . 2 1 1 A 59 59 LEU H H 682 8.164 7.510 0.654 1
1 600 . 2 1 1 A 59 59 LEU CA C 682 55.160 54.041 1.119 1
1 601 . 2 1 1 A 59 59 LEU HA H 682 4.427 4.810 -0.383 1
1 602 . 2 1 1 A 59 59 LEU CB C 682 42.473 44.135 -1.662 1
1 614 . 2 1 1 A 60 60 SER N N 683 116.385 118.543 -2.158 1
1 615 . 2 1 1 A 60 60 SER H H 683 8.226 8.773 -0.547 1
1 616 . 2 1 1 A 60 60 SER CA C 683 58.004 57.766 0.238 1
1 617 . 2 1 1 A 60 60 SER HA H 683 4.517 4.643 -0.126 1
1 618 . 2 1 1 A 60 60 SER CB C 683 63.651 64.767 -1.116 1
1 620 . 2 1 1 A 61 61 LEU N N 684 124.466 117.355 7.111 1
1 621 . 2 1 1 A 61 61 LEU H H 684 8.303 8.142 0.161 1
1 622 . 2 1 1 A 61 61 LEU CA C 684 54.959 57.254 -2.295 1
1 623 . 2 1 1 A 61 61 LEU HA H 684 4.412 3.955 0.457 1
1 624 . 2 1 1 A 61 61 LEU CB C 684 41.713 40.046 1.667 1
1 635 . 2 1 1 A 62 62 ASP N N 685 120.536 121.162 -0.626 1
1 636 . 2 1 1 A 62 62 ASP H H 685 8.267 8.469 -0.202 1
1 637 . 2 1 1 A 62 62 ASP CA C 685 54.276 55.931 -1.655 1
1 638 . 2 1 1 A 62 62 ASP HA H 685 4.680 4.326 0.354 1
1 639 . 2 1 1 A 62 62 ASP CB C 685 41.125 40.330 0.795 1
1 642 . 2 1 1 A 63 63 GLY N N 686 109.373 114.360 -4.987 1
1 643 . 2 1 1 A 63 63 GLY H H 686 8.277 8.708 -0.431 1
1 644 . 2 1 1 A 63 63 GLY CA C 686 45.297 44.886 0.411 1
1 645 . 2 1 1 A 63 63 GLY HA2 H 686 3.992 3.964 0.028 1
1 646 . 2 1 1 A 64 64 ALA N N 687 123.584 123.714 -0.130 1
1 647 . 2 1 1 A 64 64 ALA H H 687 8.129 8.477 -0.348 1
1 648 . 2 1 1 A 64 64 ALA CA C 687 52.637 52.096 0.541 1
1 649 . 2 1 1 A 64 64 ALA HA H 687 4.379 4.540 -0.161 1
1 650 . 2 1 1 A 64 64 ALA CB C 687 19.122 21.612 -2.490 1
1 654 . 2 1 1 A 65 65 ASP N N 688 118.924 119.844 -0.920 1
1 655 . 2 1 1 A 65 65 ASP H H 688 8.326 7.680 0.646 1
1 656 . 2 1 1 A 65 65 ASP CA C 688 53.972 55.255 -1.283 1
1 657 . 2 1 1 A 65 65 ASP HA H 688 4.682 4.490 0.192 1
1 658 . 2 1 1 A 65 65 ASP CB C 688 41.061 40.942 0.119 1
1 660 . 2 1 1 A 66 66 SER N N 689 116.036 116.720 -0.684 1
1 661 . 2 1 1 A 66 66 SER H H 689 8.285 8.979 -0.694 1
1 662 . 2 1 1 A 66 66 SER CA C 689 58.352 61.121 -2.769 1
1 663 . 2 1 1 A 66 66 SER HA H 689 4.443 4.308 0.135 1
1 664 . 2 1 1 A 66 66 SER CB C 689 63.665 63.364 0.301 1
1 666 . 2 1 1 A 67 67 THR N N 690 115.059 110.312 4.747 1
1 667 . 2 1 1 A 67 67 THR H H 690 8.253 7.840 0.413 1
1 668 . 2 1 1 A 67 67 THR CA C 690 62.556 60.912 1.644 1
1 669 . 2 1 1 A 67 67 THR HA H 690 4.379 4.573 -0.194 1
1 670 . 2 1 1 A 67 67 THR CB C 690 69.623 69.334 0.289 1
1 676 . 2 1 1 A 68 68 GLY N N 691 111.091 109.581 1.510 1
1 677 . 2 1 1 A 68 68 GLY H H 691 8.366 7.910 0.456 1
1 678 . 2 1 1 A 68 68 GLY CA C 691 45.297 45.305 -0.008 1
1 679 . 2 1 1 A 68 68 GLY HA2 H 691 4.002 3.949 0.053 1
1 680 . 2 1 1 A 69 69 VAL N N 692 119.280 119.845 -0.565 1
1 681 . 2 1 1 A 69 69 VAL H H 692 7.876 8.206 -0.330 1
1 682 . 2 1 1 A 69 69 VAL CA C 692 62.068 63.021 -0.953 1
1 683 . 2 1 1 A 69 69 VAL HA H 692 4.176 3.856 0.320 1
1 684 . 2 1 1 A 69 69 VAL CB C 692 32.322 30.209 2.113 1
1 690 . 2 1 1 A 70 70 VAL N N 693 123.601 125.462 -1.861 1
1 691 . 2 1 1 A 70 70 VAL H H 693 8.102 7.936 0.166 1
1 692 . 2 1 1 A 70 70 VAL CA C 693 61.886 63.539 -1.653 1
1 693 . 2 1 1 A 70 70 VAL HA H 693 4.150 4.364 -0.214 1
1 694 . 2 1 1 A 70 70 VAL CB C 693 32.429 33.049 -0.620 1
1 700 . 2 1 1 A 71 71 ALA N N 694 129.048 123.851 5.197 1
1 701 . 2 1 1 A 71 71 ALA H H 694 8.374 7.955 0.419 1
1 702 . 2 1 1 A 71 71 ALA CA C 694 52.125 53.227 -1.102 1
1 703 . 2 1 1 A 71 71 ALA HA H 694 4.454 4.080 0.374 1
1 704 . 2 1 1 A 71 71 ALA CB C 694 19.203 17.965 1.238 1
1 708 . 2 1 1 A 72 72 LYS N N 695 118.535 117.283 1.252 1
1 709 . 2 1 1 A 72 72 LYS H H 695 7.833 7.820 0.013 1
1 710 . 2 1 1 A 72 72 LYS CA C 695 54.556 59.345 -4.789 1
1 711 . 2 1 1 A 72 72 LYS HA H 695 4.827 4.099 0.728 1
1 712 . 2 1 1 A 72 72 LYS CB C 695 35.245 32.769 2.476 1
1 722 . 2 1 1 A 73 73 LEU N N 696 121.834 120.354 1.480 1
1 723 . 2 1 1 A 73 73 LEU H H 696 8.772 7.962 0.810 1
1 724 . 2 1 1 A 73 73 LEU CA C 696 54.973 56.580 -1.607 1
1 725 . 2 1 1 A 73 73 LEU HA H 696 4.268 4.290 -0.022 1
1 726 . 2 1 1 A 73 73 LEU CB C 696 42.467 43.221 -0.754 1
1 739 . 2 1 1 A 74 74 SER N N 697 121.120 113.461 7.659 1
1 740 . 2 1 1 A 74 74 SER H H 697 8.890 7.946 0.944 1
1 741 . 2 1 1 A 74 74 SER CA C 697 56.165 57.801 -1.636 1
1 742 . 2 1 1 A 74 74 SER HA H 697 4.710 4.568 0.142 1
1 743 . 2 1 1 A 74 74 SER CB C 697 62.177 65.334 -3.157 1
1 745 . 2 1 1 A 75 75 PRO CA C 698 66.251 65.924 0.327 1
1 746 . 2 1 1 A 75 75 PRO HA H 698 4.350 4.320 0.030 1
1 747 . 2 1 1 A 75 75 PRO CB C 698 31.661 31.521 0.140 1
1 755 . 2 1 1 A 76 76 ALA N N 699 117.914 118.863 -0.949 1
1 756 . 2 1 1 A 76 76 ALA H H 699 8.458 8.116 0.342 1
1 757 . 2 1 1 A 76 76 ALA CA C 699 55.000 55.222 -0.222 1
1 758 . 2 1 1 A 76 76 ALA HA H 699 4.132 4.062 0.070 1
1 759 . 2 1 1 A 76 76 ALA CB C 699 18.785 18.239 0.546 1
1 763 . 2 1 1 A 77 77 ASN N N 700 116.945 117.047 -0.102 1
1 764 . 2 1 1 A 77 77 ASN H H 700 7.760 8.412 -0.652 1
1 765 . 2 1 1 A 77 77 ASN CA C 700 55.210 56.515 -1.305 1
1 766 . 2 1 1 A 77 77 ASN HA H 700 4.763 4.186 0.577 1
1 767 . 2 1 1 A 77 77 ASN CB C 700 38.005 37.470 0.535 1
1 770 . 2 1 1 A 78 78 GLN N N 701 124.719 119.931 4.788 1
1 771 . 2 1 1 A 78 78 GLN H H 701 9.480 8.658 0.822 1
1 772 . 2 1 1 A 78 78 GLN CA C 701 59.634 59.335 0.299 1
1 773 . 2 1 1 A 78 78 GLN HA H 701 3.673 4.412 -0.739 1
1 774 . 2 1 1 A 78 78 GLN CB C 701 27.114 28.721 -1.607 1
1 782 . 2 1 1 A 79 79 ARG N N 702 117.069 119.651 -2.582 1
1 783 . 2 1 1 A 79 79 ARG H H 702 7.654 7.898 -0.244 1
1 784 . 2 1 1 A 79 79 ARG CA C 702 57.561 59.548 -1.987 1
1 785 . 2 1 1 A 79 79 ARG HA H 702 4.487 4.129 0.358 1
1 786 . 2 1 1 A 79 79 ARG CB C 702 29.680 30.214 -0.534 1
1 794 . 2 1 1 A 80 80 LYS N N 703 119.251 118.315 0.936 1
1 795 . 2 1 1 A 80 80 LYS H H 703 7.636 8.432 -0.796 1
1 796 . 2 1 1 A 80 80 LYS CA C 703 60.735 59.495 1.240 1
1 797 . 2 1 1 A 80 80 LYS HA H 703 3.702 4.124 -0.422 1
1 798 . 2 1 1 A 80 80 LYS CB C 703 34.002 32.457 1.545 1
1 808 . 2 1 1 A 81 81 CYS N N 704 115.848 118.195 -2.347 1
1 809 . 2 1 1 A 81 81 CYS H H 704 8.031 8.277 -0.246 1
1 810 . 2 1 1 A 81 81 CYS CA C 704 64.823 62.167 2.656 1
1 811 . 2 1 1 A 81 81 CYS HA H 704 3.687 4.265 -0.578 1
1 812 . 2 1 1 A 81 81 CYS CB C 704 26.491 27.382 -0.891 1
1 815 . 2 1 1 A 82 82 GLU N N 705 118.931 121.314 -2.383 1
1 816 . 2 1 1 A 82 82 GLU H H 705 8.286 8.605 -0.319 1
1 817 . 2 1 1 A 82 82 GLU CA C 705 59.887 59.785 0.102 1
1 818 . 2 1 1 A 82 82 GLU HA H 705 3.589 4.200 -0.611 1
1 819 . 2 1 1 A 82 82 GLU CB C 705 29.067 29.252 -0.185 1
1 825 . 2 1 1 A 83 83 ARG N N 706 119.029 120.182 -1.153 1
1 826 . 2 1 1 A 83 83 ARG H H 706 7.931 8.158 -0.227 1
1 827 . 2 1 1 A 83 83 ARG CA C 706 60.133 58.411 1.722 1
1 828 . 2 1 1 A 83 83 ARG HA H 706 3.748 4.284 -0.536 1
1 829 . 2 1 1 A 83 83 ARG CB C 706 30.197 29.575 0.622 1
1 838 . 2 1 1 A 84 84 VAL N N 707 119.247 120.325 -1.078 1
1 839 . 2 1 1 A 84 84 VAL H H 707 7.762 8.515 -0.753 1
1 840 . 2 1 1 A 84 84 VAL CA C 707 67.133 66.047 1.086 1
1 841 . 2 1 1 A 84 84 VAL HA H 707 3.562 4.006 -0.444 1
1 842 . 2 1 1 A 84 84 VAL CB C 707 31.857 32.081 -0.224 1
1 852 . 2 1 1 A 85 85 LEU N N 708 119.414 120.641 -1.227 1
1 853 . 2 1 1 A 85 85 LEU H H 708 8.844 9.030 -0.186 1
1 854 . 2 1 1 A 85 85 LEU CA C 708 57.561 58.379 -0.818 1
1 855 . 2 1 1 A 85 85 LEU HA H 708 4.366 4.185 0.181 1
1 856 . 2 1 1 A 85 85 LEU CB C 708 41.320 41.428 -0.108 1
1 869 . 2 1 1 A 86 86 LEU N N 709 120.156 120.616 -0.460 1
1 870 . 2 1 1 A 86 86 LEU H H 709 9.044 8.130 0.914 1
1 871 . 2 1 1 A 86 86 LEU CA C 709 57.977 58.373 -0.396 1
1 872 . 2 1 1 A 86 86 LEU HA H 709 4.382 4.109 0.273 1
1 873 . 2 1 1 A 86 86 LEU CB C 709 41.069 42.120 -1.051 1
1 886 . 2 1 1 A 87 87 ALA N N 710 121.264 120.585 0.679 1
1 887 . 2 1 1 A 87 87 ALA H H 710 8.136 8.811 -0.675 1
1 888 . 2 1 1 A 87 87 ALA CA C 710 55.439 55.899 -0.460 1
1 889 . 2 1 1 A 87 87 ALA HA H 710 4.217 4.588 -0.371 1
1 890 . 2 1 1 A 87 87 ALA CB C 710 17.525 19.070 -1.545 1
1 894 . 2 1 1 A 88 88 LEU N N 711 117.148 118.471 -1.323 1
1 895 . 2 1 1 A 88 88 LEU H H 711 8.158 8.861 -0.703 1
1 896 . 2 1 1 A 88 88 LEU CA C 711 58.688 57.880 0.808 1
1 897 . 2 1 1 A 88 88 LEU HA H 711 4.401 4.075 0.326 1
1 898 . 2 1 1 A 88 88 LEU CB C 711 41.534 42.111 -0.577 1
1 911 . 2 1 1 A 89 89 PHE N N 712 117.048 116.835 0.213 1
1 912 . 2 1 1 A 89 89 PHE H H 712 8.536 8.774 -0.238 1
1 913 . 2 1 1 A 89 89 PHE CA C 712 62.732 60.758 1.974 1
1 914 . 2 1 1 A 89 89 PHE HA H 712 3.971 4.036 -0.065 1
1 915 . 2 1 1 A 89 89 PHE CB C 712 40.351 38.695 1.656 1
1 922 . 2 1 1 A 90 90 CYS N N 713 111.682 118.164 -6.482 1
1 923 . 2 1 1 A 90 90 CYS H H 713 7.689 8.639 -0.950 1
1 924 . 2 1 1 A 90 90 CYS CA C 713 60.573 62.994 -2.421 1
1 925 . 2 1 1 A 90 90 CYS HA H 713 4.614 4.081 0.533 1
1 926 . 2 1 1 A 90 90 CYS CB C 713 28.820 27.108 1.712 1
1 929 . 2 1 1 A 91 91 HIS N N 714 123.036 116.457 6.579 1
1 930 . 2 1 1 A 91 91 HIS H H 714 7.517 7.768 -0.251 1
1 931 . 2 1 1 A 91 91 HIS CA C 714 54.945 54.832 0.113 1
1 932 . 2 1 1 A 91 91 HIS HA H 714 4.939 4.535 0.404 1
1 933 . 2 1 1 A 91 91 HIS CB C 714 31.433 31.773 -0.340 1
1 940 . 2 1 1 A 92 92 GLU CA C 715 61.506 60.800 0.706 1
1 941 . 2 1 1 A 92 92 GLU HA H 715 4.052 3.998 0.054 1
1 942 . 2 1 1 A 92 92 GLU CB C 715 26.765 29.278 -2.513 1
1 947 . 2 1 1 A 93 93 PRO CA C 716 65.272 66.498 -1.226 1
1 948 . 2 1 1 A 93 93 PRO HA H 716 4.294 4.361 -0.067 1
1 949 . 2 1 1 A 93 93 PRO CB C 716 31.486 30.833 0.653 1
1 958 . 2 1 1 A 94 94 CYS N N 717 110.309 115.660 -5.351 1
1 959 . 2 1 1 A 94 94 CYS H H 717 7.667 8.638 -0.971 1
1 960 . 2 1 1 A 94 94 CYS CA C 717 58.484 62.322 -3.838 1
1 961 . 2 1 1 A 94 94 CYS HA H 717 4.406 4.448 -0.042 1
1 962 . 2 1 1 A 94 94 CYS CB C 717 28.612 27.607 1.005 1
1 965 . 2 1 1 A 95 95 ARG N N 718 122.655 121.108 1.547 1
1 966 . 2 1 1 A 95 95 ARG H H 718 7.928 8.521 -0.593 1
1 967 . 2 1 1 A 95 95 ARG CA C 718 60.829 60.532 0.297 1
1 968 . 2 1 1 A 95 95 ARG HA H 718 3.740 2.956 0.784 1
1 969 . 2 1 1 A 95 95 ARG CB C 718 28.131 28.565 -0.434 1
1 977 . 2 1 1 A 96 96 PRO CA C 719 65.328 65.971 -0.643 1
1 978 . 2 1 1 A 96 96 PRO HA H 719 4.456 4.043 0.413 1
1 979 . 2 1 1 A 96 96 PRO CB C 719 31.665 30.155 1.510 1
1 987 . 2 1 1 A 97 97 LEU N N 720 112.429 117.347 -4.918 1
1 988 . 2 1 1 A 97 97 LEU H H 720 7.720 7.161 0.559 1
1 989 . 2 1 1 A 97 97 LEU CA C 720 54.707 57.580 -2.873 1
1 990 . 2 1 1 A 97 97 LEU HA H 720 4.228 3.862 0.366 1
1 991 . 2 1 1 A 97 97 LEU CB C 720 40.391 41.734 -1.343 1
1 1004 . 2 1 1 A 98 98 HIS N N 721 118.891 117.201 1.690 1
1 1005 . 2 1 1 A 98 98 HIS H H 721 7.964 8.815 -0.851 1
1 1006 . 2 1 1 A 98 98 HIS CA C 721 60.901 58.328 2.573 1
1 1007 . 2 1 1 A 98 98 HIS HA H 721 4.190 3.965 0.225 1
1 1008 . 2 1 1 A 98 98 HIS CB C 721 31.678 29.728 1.950 1
1 1015 . 2 1 1 A 99 99 GLN N N 722 116.787 116.939 -0.152 1
1 1016 . 2 1 1 A 99 99 GLN H H 722 8.090 7.510 0.580 1
1 1017 . 2 1 1 A 99 99 GLN CA C 722 55.180 54.426 0.754 1
1 1018 . 2 1 1 A 99 99 GLN HA H 722 4.808 4.434 0.374 1
1 1019 . 2 1 1 A 99 99 GLN CB C 722 30.690 29.126 1.564 1
1 1024 . 2 1 1 A 100 100 LEU H H 723 9.277 8.568 0.709 1
1 1025 . 2 1 1 A 100 100 LEU CA C 723 55.397 56.245 -0.848 1
1 1026 . 2 1 1 A 100 100 LEU HA H 723 4.566 4.453 0.113 1
1 1027 . 2 1 1 A 100 100 LEU CB C 723 43.862 43.441 0.421 1
1 1040 . 2 1 1 A 101 101 ALA N N 724 123.211 120.091 3.120 1
1 1041 . 2 1 1 A 101 101 ALA H H 724 8.577 7.759 0.818 1
1 1042 . 2 1 1 A 101 101 ALA CA C 724 52.591 50.429 2.162 1
1 1043 . 2 1 1 A 101 101 ALA HA H 724 4.392 4.514 -0.122 1
1 1044 . 2 1 1 A 101 101 ALA CB C 724 19.262 20.191 -0.929 1
1 1048 . 2 1 1 A 102 102 THR N N 725 112.189 111.764 0.425 1
1 1049 . 2 1 1 A 102 102 THR H H 725 8.069 8.489 -0.420 1
1 1050 . 2 1 1 A 102 102 THR CA C 725 61.802 61.572 0.230 1
1 1051 . 2 1 1 A 102 102 THR HA H 725 4.366 4.685 -0.319 1
1 1052 . 2 1 1 A 102 102 THR CB C 725 69.684 69.491 0.193 1
1 1058 . 2 1 1 A 103 103 ASP N N 726 121.846 123.233 -1.387 1
1 1059 . 2 1 1 A 103 103 ASP H H 726 8.195 8.250 -0.055 1
1 1060 . 2 1 1 A 103 103 ASP CA C 726 54.057 57.303 -3.246 1
1 1061 . 2 1 1 A 103 103 ASP HA H 726 4.681 4.431 0.250 1
1 1062 . 2 1 1 A 103 103 ASP CB C 726 41.228 40.459 0.769 1
1 1064 . 2 1 1 A 104 104 SER N N 727 116.230 114.302 1.928 1
1 1065 . 2 1 1 A 104 104 SER H H 727 8.260 8.200 0.060 1
1 1066 . 2 1 1 A 104 104 SER CA C 727 58.945 59.294 -0.349 1
1 1067 . 2 1 1 A 104 104 SER HA H 727 4.468 4.135 0.333 1
1 1068 . 2 1 1 A 104 104 SER CB C 727 63.856 62.012 1.844 1
1 1070 . 2 1 1 A 105 105 THR N N 728 115.362 107.694 7.668 1
1 1071 . 2 1 1 A 105 105 THR H H 728 8.205 8.348 -0.143 1
1 1072 . 2 1 1 A 105 105 THR CA C 728 62.744 62.539 0.205 1
1 1073 . 2 1 1 A 105 105 THR HA H 728 4.238 4.059 0.179 1
1 1074 . 2 1 1 A 105 105 THR CB C 728 69.490 66.626 2.864 1
1 1080 . 2 1 1 A 106 106 PHE N N 729 121.735 121.744 -0.009 1
1 1081 . 2 1 1 A 106 106 PHE H H 729 8.047 8.037 0.010 1
1 1082 . 2 1 1 A 106 106 PHE CA C 729 57.966 57.911 0.055 1
1 1083 . 2 1 1 A 106 106 PHE HA H 729 4.626 4.717 -0.091 1
1 1084 . 2 1 1 A 106 106 PHE CB C 729 39.633 41.554 -1.921 1
1 1090 . 2 1 1 A 107 107 SER N N 730 116.751 114.870 1.881 1
1 1091 . 2 1 1 A 107 107 SER H H 730 7.962 8.278 -0.316 1
1 1092 . 2 1 1 A 107 107 SER CA C 730 57.921 60.994 -3.073 1
1 1093 . 2 1 1 A 107 107 SER HA H 730 4.413 4.344 0.069 1
1 1094 . 2 1 1 A 107 107 SER CB C 730 63.659 63.204 0.455 1
1 1097 . 2 1 1 A 108 108 LEU N N 731 123.373 117.668 5.705 1
1 1098 . 2 1 1 A 108 108 LEU H H 731 8.212 7.954 0.258 1
1 1099 . 2 1 1 A 108 108 LEU CA C 731 55.650 57.298 -1.648 1
1 1100 . 2 1 1 A 108 108 LEU HA H 731 4.265 4.225 0.040 1
1 1101 . 2 1 1 A 108 108 LEU CB C 731 42.257 41.765 0.492 1
1 1113 . 2 1 1 A 109 109 ASP N N 732 118.496 118.788 -0.292 1
1 1114 . 2 1 1 A 109 109 ASP H H 732 8.172 8.640 -0.468 1
1 1115 . 2 1 1 A 109 109 ASP CA C 732 54.239 53.620 0.619 1
1 1116 . 2 1 1 A 109 109 ASP HA H 732 4.566 4.904 -0.338 1
1 1117 . 2 1 1 A 109 109 ASP CB C 732 41.124 42.532 -1.408 1
1 1120 . 2 1 1 A 110 110 GLN N N 733 119.403 121.423 -2.020 1
1 1121 . 2 1 1 A 110 110 GLN H H 733 7.707 7.710 -0.003 1
1 1122 . 2 1 1 A 110 110 GLN CA C 733 53.251 54.245 -0.994 1
1 1123 . 2 1 1 A 110 110 GLN HA H 733 4.675 3.731 0.944 1
1 1124 . 2 1 1 A 110 110 GLN CB C 733 29.061 29.323 -0.262 1
1 1129 . 2 1 1 A 111 111 PRO CA C 734 63.869 63.721 0.148 1
1 1130 . 2 1 1 A 111 111 PRO HA H 734 4.435 4.253 0.182 1
1 1131 . 2 1 1 A 111 111 PRO CB C 734 31.900 31.630 0.270 1
1 1139 . 2 1 1 A 112 112 GLY N N 735 109.783 105.452 4.331 1
1 1140 . 2 1 1 A 112 112 GLY H H 735 8.510 7.106 1.404 1
1 1141 . 2 1 1 A 112 112 GLY CA C 735 44.954 45.727 -0.773 1
1 1142 . 2 1 1 A 112 112 GLY HA3 H 735 3.903 4.041 -0.138 1
1 1143 . 2 1 1 A 112 112 GLY HA2 H 735 3.994 4.041 -0.047 1
1 1144 . 2 1 1 A 113 113 GLY N N 736 108.485 112.121 -3.636 1
1 1145 . 2 1 1 A 113 113 GLY H H 736 8.138 8.650 -0.512 1
1 1146 . 2 1 1 A 113 113 GLY CA C 736 44.755 45.713 -0.958 1
1 1147 . 2 1 1 A 113 113 GLY HA3 H 736 3.899 4.043 -0.144 1
1 1148 . 2 1 1 A 113 113 GLY HA2 H 736 3.964 4.036 -0.072 1
1 1149 . 2 1 1 A 114 114 THR N N 737 116.361 117.596 -1.235 1
1 1150 . 2 1 1 A 114 114 THR H H 737 7.951 8.602 -0.651 1
1 1151 . 2 1 1 A 114 114 THR CA C 737 62.508 62.339 0.169 1
1 1152 . 2 1 1 A 114 114 THR HA H 737 4.189 4.581 -0.392 1
1 1153 . 2 1 1 A 114 114 THR CB C 737 69.780 71.312 -1.532 1
1 1159 . 2 1 1 A 115 115 LEU N N 738 125.899 122.592 3.307 1
1 1160 . 2 1 1 A 115 115 LEU H H 738 8.575 7.932 0.643 1
1 1161 . 2 1 1 A 115 115 LEU CA C 738 54.534 55.701 -1.167 1
1 1162 . 2 1 1 A 115 115 LEU HA H 738 4.452 4.167 0.285 1
1 1163 . 2 1 1 A 115 115 LEU CB C 738 45.506 41.085 4.421 1
1 1176 . 2 1 1 A 116 116 ASP N N 739 115.416 124.736 -9.320 1
1 1177 . 2 1 1 A 116 116 ASP H H 739 6.819 8.715 -1.896 1
1 1178 . 2 1 1 A 116 116 ASP CA C 739 52.606 51.759 0.847 1
1 1179 . 2 1 1 A 116 116 ASP HA H 739 4.472 4.983 -0.511 1
1 1180 . 2 1 1 A 116 116 ASP CB C 739 42.811 42.505 0.306 1
1 1183 . 2 1 1 A 117 117 LEU N N 740 115.281 119.261 -3.980 1
1 1184 . 2 1 1 A 117 117 LEU H H 740 8.213 8.542 -0.329 1
1 1185 . 2 1 1 A 117 117 LEU CA C 740 57.750 57.519 0.231 1
1 1186 . 2 1 1 A 117 117 LEU HA H 740 3.841 3.819 0.022 1
1 1187 . 2 1 1 A 117 117 LEU CB C 740 42.005 41.236 0.769 1
1 1200 . 2 1 1 A 118 118 THR N N 741 116.995 113.717 3.278 1
1 1201 . 2 1 1 A 118 118 THR H H 741 8.152 7.877 0.275 1
1 1202 . 2 1 1 A 118 118 THR CA C 741 68.068 66.861 1.207 1
1 1203 . 2 1 1 A 118 118 THR HA H 741 4.054 4.184 -0.130 1
1 1204 . 2 1 1 A 118 118 THR CB C 741 68.392 68.167 0.225 1
1 1210 . 2 1 1 A 119 119 LEU N N 742 127.180 121.609 5.571 1
1 1211 . 2 1 1 A 119 119 LEU H H 742 8.804 8.507 0.297 1
1 1212 . 2 1 1 A 119 119 LEU CA C 742 58.460 58.556 -0.096 1
1 1213 . 2 1 1 A 119 119 LEU HA H 742 4.214 3.931 0.283 1
1 1214 . 2 1 1 A 119 119 LEU CB C 742 42.491 42.094 0.397 1
1 1227 . 2 1 1 A 120 120 ILE N N 743 120.880 119.791 1.089 1
1 1228 . 2 1 1 A 120 120 ILE H H 743 7.884 8.336 -0.452 1
1 1229 . 2 1 1 A 120 120 ILE CA C 743 65.546 65.100 0.446 1
1 1230 . 2 1 1 A 120 120 ILE HA H 743 4.101 3.696 0.405 1
1 1231 . 2 1 1 A 120 120 ILE CB C 743 38.693 37.700 0.993 1
1 1244 . 2 1 1 A 121 121 ARG N N 744 119.772 122.051 -2.279 1
1 1245 . 2 1 1 A 121 121 ARG H H 744 8.792 8.382 0.410 1
1 1246 . 2 1 1 A 121 121 ARG CA C 744 60.369 59.230 1.139 1
1 1247 . 2 1 1 A 121 121 ARG HA H 744 3.896 3.799 0.097 1
1 1248 . 2 1 1 A 121 121 ARG CB C 744 30.241 29.987 0.254 1
1 1257 . 2 1 1 A 122 122 ALA N N 745 120.978 120.773 0.205 1
1 1258 . 2 1 1 A 122 122 ALA H H 745 8.303 8.365 -0.062 1
1 1259 . 2 1 1 A 122 122 ALA CA C 745 55.203 55.120 0.083 1
1 1260 . 2 1 1 A 122 122 ALA HA H 745 4.246 3.971 0.275 1
1 1261 . 2 1 1 A 122 122 ALA CB C 745 18.005 18.419 -0.414 1
1 1265 . 2 1 1 A 123 123 ARG N N 746 119.408 117.727 1.681 1
1 1266 . 2 1 1 A 123 123 ARG H H 746 8.224 7.616 0.608 1
1 1267 . 2 1 1 A 123 123 ARG CA C 746 59.895 59.066 0.829 1
1 1268 . 2 1 1 A 123 123 ARG HA H 746 4.335 3.772 0.563 1
1 1269 . 2 1 1 A 123 123 ARG CB C 746 29.768 29.588 0.180 1
1 1279 . 2 1 1 A 124 124 LEU N N 747 125.115 121.023 4.092 1
1 1280 . 2 1 1 A 124 124 LEU H H 747 9.029 7.893 1.136 1
1 1281 . 2 1 1 A 124 124 LEU CA C 747 57.559 57.352 0.207 1
1 1282 . 2 1 1 A 124 124 LEU HA H 747 4.925 3.829 1.096 1
1 1283 . 2 1 1 A 124 124 LEU CB C 747 42.721 41.726 0.995 1
1 1296 . 2 1 1 A 125 125 GLN N N 748 114.117 117.157 -3.040 1
1 1297 . 2 1 1 A 125 125 GLN H H 748 8.418 8.159 0.259 1
1 1298 . 2 1 1 A 125 125 GLN CA C 748 55.664 57.203 -1.539 1
1 1299 . 2 1 1 A 125 125 GLN HA H 748 4.444 4.282 0.162 1
1 1300 . 2 1 1 A 125 125 GLN CB C 748 29.301 29.187 0.114 1
1 1309 . 2 1 1 A 126 126 GLU N N 749 113.381 115.143 -1.762 1
1 1310 . 2 1 1 A 126 126 GLU H H 749 7.978 7.796 0.182 1
1 1311 . 2 1 1 A 126 126 GLU CA C 749 57.789 55.793 1.996 1
1 1312 . 2 1 1 A 126 126 GLU HA H 749 4.156 4.997 -0.841 1
1 1313 . 2 1 1 A 126 126 GLU CB C 749 25.906 31.039 -5.133 1
1 1318 . 2 1 1 A 127 127 LYS N N 750 116.557 121.363 -4.806 1
1 1319 . 2 1 1 A 127 127 LYS H H 750 8.538 8.039 0.499 1
1 1320 . 2 1 1 A 127 127 LYS CA C 750 56.417 58.271 -1.854 1
1 1321 . 2 1 1 A 127 127 LYS HA H 750 4.344 4.091 0.253 1
1 1322 . 2 1 1 A 127 127 LYS CB C 750 33.029 32.598 0.431 1
1 1332 . 2 1 1 A 128 128 LEU N N 751 119.986 118.284 1.702 1
1 1333 . 2 1 1 A 128 128 LEU H H 751 6.949 7.238 -0.289 1
1 1334 . 2 1 1 A 128 128 LEU CA C 751 53.476 56.597 -3.121 1
1 1335 . 2 1 1 A 128 128 LEU HA H 751 4.532 4.280 0.252 1
1 1336 . 2 1 1 A 128 128 LEU CB C 751 45.503 42.339 3.164 1
1 1349 . 2 1 1 A 129 129 SER N N 752 118.455 113.443 5.012 1
1 1350 . 2 1 1 A 129 129 SER H H 752 8.225 8.009 0.216 1
1 1351 . 2 1 1 A 129 129 SER CA C 752 56.129 56.724 -0.595 1
1 1352 . 2 1 1 A 129 129 SER HA H 752 4.434 4.805 -0.371 1
1 1353 . 2 1 1 A 129 129 SER CB C 752 63.911 64.921 -1.010 1
1 1356 . 2 1 1 A 130 130 PRO CA C 753 61.355 61.749 -0.394 1
1 1357 . 2 1 1 A 130 130 PRO HA H 753 5.026 4.635 0.391 1
1 1358 . 2 1 1 A 130 130 PRO CB C 753 32.831 32.912 -0.081 1
1 1366 . 2 1 1 A 131 131 PRO CA C 754 62.470 62.765 -0.295 1
1 1367 . 2 1 1 A 131 131 PRO HA H 754 4.651 4.555 0.096 1
1 1368 . 2 1 1 A 131 131 PRO CB C 754 32.403 32.432 -0.029 1
1 1377 . 2 1 1 A 132 132 TYR N N 755 121.321 121.733 -0.412 1
1 1378 . 2 1 1 A 132 132 TYR H H 755 9.635 8.218 1.417 1
1 1379 . 2 1 1 A 132 132 TYR CA C 755 60.382 57.651 2.731 1
1 1380 . 2 1 1 A 132 132 TYR HA H 755 4.433 4.880 -0.447 1
1 1381 . 2 1 1 A 132 132 TYR CB C 755 38.713 38.994 -0.281 1
1 1388 . 2 1 1 A 133 133 SER N N 756 114.917 117.460 -2.543 1
1 1389 . 2 1 1 A 133 133 SER H H 756 9.343 9.067 0.276 1
1 1390 . 2 1 1 A 133 133 SER CA C 756 58.776 58.197 0.579 1
1 1391 . 2 1 1 A 133 133 SER HA H 756 4.430 4.714 -0.284 1
1 1392 . 2 1 1 A 133 133 SER CB C 756 64.839 64.744 0.095 1
1 1394 . 2 1 1 A 134 134 SER N N 757 112.021 113.900 -1.879 1
1 1395 . 2 1 1 A 134 134 SER H H 757 7.500 7.706 -0.206 1
1 1396 . 2 1 1 A 134 134 SER CA C 757 56.158 56.022 0.136 1
1 1397 . 2 1 1 A 134 134 SER HA H 757 4.950 4.623 0.327 1
1 1398 . 2 1 1 A 134 134 SER CB C 757 63.906 65.246 -1.340 1
1 1401 . 2 1 1 A 135 135 PRO CA C 758 64.159 65.026 -0.867 1
1 1402 . 2 1 1 A 135 135 PRO HA H 758 4.132 4.367 -0.235 1
1 1403 . 2 1 1 A 135 135 PRO CB C 758 31.649 32.146 -0.497 1
1 1412 . 2 1 1 A 136 136 GLN N N 759 116.382 116.385 -0.003 1
1 1413 . 2 1 1 A 136 136 GLN H H 759 8.067 8.418 -0.351 1
1 1414 . 2 1 1 A 136 136 GLN CA C 759 59.483 58.432 1.051 1
1 1415 . 2 1 1 A 136 136 GLN HA H 759 3.963 4.007 -0.044 1
1 1416 . 2 1 1 A 136 136 GLN CB C 759 27.414 28.139 -0.725 1
1 1425 . 2 1 1 A 137 137 GLU N N 760 121.764 119.833 1.931 1
1 1426 . 2 1 1 A 137 137 GLU H H 760 7.826 8.318 -0.492 1
1 1427 . 2 1 1 A 137 137 GLU CA C 760 59.184 59.178 0.006 1
1 1428 . 2 1 1 A 137 137 GLU HA H 760 4.063 3.885 0.178 1
1 1429 . 2 1 1 A 137 137 GLU CB C 760 30.403 29.231 1.172 1
1 1435 . 2 1 1 A 138 138 PHE N N 761 120.582 119.402 1.180 1
1 1436 . 2 1 1 A 138 138 PHE H H 761 6.900 8.217 -1.317 1
1 1437 . 2 1 1 A 138 138 PHE CA C 761 60.105 60.459 -0.354 1
1 1438 . 2 1 1 A 138 138 PHE HA H 761 3.604 4.529 -0.925 1
1 1439 . 2 1 1 A 138 138 PHE CB C 761 38.271 38.722 -0.451 1
1 1448 . 2 1 1 A 139 139 ALA N N 762 120.917 123.493 -2.576 1
1 1449 . 2 1 1 A 139 139 ALA H H 762 8.399 8.316 0.083 1
1 1450 . 2 1 1 A 139 139 ALA CA C 762 54.940 55.477 -0.537 1
1 1451 . 2 1 1 A 139 139 ALA HA H 762 3.804 4.112 -0.308 1
1 1452 . 2 1 1 A 139 139 ALA CB C 762 18.001 17.963 0.038 1
1 1456 . 2 1 1 A 140 140 GLN N N 763 119.041 118.089 0.952 1
1 1457 . 2 1 1 A 140 140 GLN H H 763 8.436 8.591 -0.155 1
1 1458 . 2 1 1 A 140 140 GLN CA C 763 58.474 58.522 -0.048 1
1 1459 . 2 1 1 A 140 140 GLN HA H 763 4.056 4.091 -0.035 1
1 1460 . 2 1 1 A 140 140 GLN CB C 763 28.345 28.254 0.091 1
1 1469 . 2 1 1 A 141 141 ASP N N 764 122.985 119.962 3.023 1
1 1470 . 2 1 1 A 141 141 ASP H H 764 7.694 7.567 0.127 1
1 1471 . 2 1 1 A 141 141 ASP CA C 764 57.087 56.219 0.868 1
1 1472 . 2 1 1 A 141 141 ASP HA H 764 4.517 4.504 0.013 1
1 1473 . 2 1 1 A 141 141 ASP CB C 764 39.897 40.700 -0.803 1
1 1476 . 2 1 1 A 142 142 VAL N N 765 119.630 121.217 -1.587 1
1 1477 . 2 1 1 A 142 142 VAL H H 765 7.431 8.000 -0.569 1
1 1478 . 2 1 1 A 142 142 VAL CA C 765 66.489 65.952 0.537 1
1 1479 . 2 1 1 A 142 142 VAL HA H 765 2.740 3.297 -0.557 1
1 1480 . 2 1 1 A 142 142 VAL CB C 765 30.729 30.857 -0.128 1
1 1490 . 2 1 1 A 143 143 GLY N N 766 104.089 107.376 -3.287 1
1 1491 . 2 1 1 A 143 143 GLY H H 766 8.089 8.149 -0.060 1
1 1492 . 2 1 1 A 143 143 GLY CA C 766 47.271 46.645 0.626 1
1 1493 . 2 1 1 A 143 143 GLY HA3 H 766 3.783 3.791 -0.008 1
1 1494 . 2 1 1 A 143 143 GLY HA2 H 766 3.870 3.778 0.092 1
1 1495 . 2 1 1 A 144 144 ARG N N 767 123.406 121.417 1.989 1
1 1496 . 2 1 1 A 144 144 ARG H H 767 8.270 7.466 0.804 1
1 1497 . 2 1 1 A 144 144 ARG CA C 767 59.627 58.367 1.260 1
1 1498 . 2 1 1 A 144 144 ARG HA H 767 4.026 4.134 -0.108 1
1 1499 . 2 1 1 A 144 144 ARG CB C 767 30.003 29.955 0.048 1
1 1507 . 2 1 1 A 145 145 MET N N 768 121.310 118.372 2.938 1
1 1508 . 2 1 1 A 145 145 MET H H 768 8.053 8.609 -0.556 1
1 1509 . 2 1 1 A 145 145 MET CA C 768 58.727 58.525 0.202 1
1 1510 . 2 1 1 A 145 145 MET HA H 768 3.932 4.373 -0.441 1
1 1511 . 2 1 1 A 145 145 MET CB C 768 31.536 32.106 -0.570 1
1 1521 . 2 1 1 A 146 146 PHE N N 769 117.125 118.507 -1.382 1
1 1522 . 2 1 1 A 146 146 PHE H H 769 8.005 8.444 -0.439 1
1 1523 . 2 1 1 A 146 146 PHE CA C 769 59.441 61.267 -1.826 1
1 1524 . 2 1 1 A 146 146 PHE HA H 769 4.582 4.224 0.358 1
1 1525 . 2 1 1 A 146 146 PHE CB C 769 37.558 38.379 -0.821 1
1 1534 . 2 1 1 A 147 147 LYS N N 770 119.226 119.150 0.076 1
1 1535 . 2 1 1 A 147 147 LYS H H 770 8.078 8.048 0.030 1
1 1536 . 2 1 1 A 147 147 LYS CA C 770 59.479 59.418 0.061 1
1 1537 . 2 1 1 A 147 147 LYS HA H 770 4.153 3.904 0.249 1
1 1538 . 2 1 1 A 147 147 LYS CB C 770 32.336 32.090 0.246 1
1 1547 . 2 1 1 A 148 148 GLN N N 771 118.870 118.727 0.143 1
1 1548 . 2 1 1 A 148 148 GLN H H 771 8.338 8.347 -0.009 1
1 1549 . 2 1 1 A 148 148 GLN CA C 771 58.440 58.575 -0.135 1
1 1550 . 2 1 1 A 148 148 GLN HA H 771 4.140 4.082 0.058 1
1 1551 . 2 1 1 A 148 148 GLN CB C 771 28.382 28.412 -0.030 1
1 1560 . 2 1 1 A 149 149 PHE N N 772 120.162 120.941 -0.779 1
1 1561 . 2 1 1 A 149 149 PHE H H 772 8.411 7.990 0.421 1
1 1562 . 2 1 1 A 149 149 PHE CA C 772 60.460 61.301 -0.841 1
1 1563 . 2 1 1 A 149 149 PHE HA H 772 4.433 4.209 0.224 1
1 1564 . 2 1 1 A 149 149 PHE CB C 772 39.428 39.158 0.270 1
1 1573 . 2 1 1 A 150 150 ASN N N 773 117.836 117.399 0.437 1
1 1574 . 2 1 1 A 150 150 ASN H H 773 8.279 8.620 -0.341 1
1 1575 . 2 1 1 A 150 150 ASN HA H 773 4.375 4.284 0.091 1
1 1576 . 2 1 1 A 150 150 ASN CB C 773 38.977 38.828 0.149 1
1 1582 . 2 1 1 A 151 151 LYS N N 774 118.045 116.412 1.633 1
1 1583 . 2 1 1 A 151 151 LYS H H 774 7.648 7.909 -0.261 1
1 1584 . 2 1 1 A 151 151 LYS CA C 774 57.563 56.980 0.583 1
1 1585 . 2 1 1 A 151 151 LYS HA H 774 4.225 4.352 -0.127 1
1 1586 . 2 1 1 A 151 151 LYS CB C 774 32.333 32.947 -0.614 1
1 1595 . 2 1 1 A 152 152 LEU N N 775 119.031 120.931 -1.900 1
1 1596 . 2 1 1 A 152 152 LEU H H 775 7.825 8.250 -0.425 1
1 1597 . 2 1 1 A 152 152 LEU CA C 775 55.990 57.959 -1.969 1
1 1598 . 2 1 1 A 152 152 LEU HA H 775 4.270 4.072 0.198 1
1 1599 . 2 1 1 A 152 152 LEU CB C 775 42.487 41.420 1.067 1
1 1612 . 2 1 1 A 153 153 THR N N 776 110.107 111.073 -0.966 1
1 1613 . 2 1 1 A 153 153 THR H H 776 7.525 7.959 -0.434 1
1 1614 . 2 1 1 A 153 153 THR CA C 776 61.535 64.330 -2.795 1
1 1615 . 2 1 1 A 153 153 THR HA H 776 4.332 4.185 0.147 1
1 1616 . 2 1 1 A 153 153 THR CB C 776 69.570 69.283 0.287 1
1 1622 . 2 1 1 A 154 154 GLU N N 777 122.427 121.606 0.821 1
1 1623 . 2 1 1 A 154 154 GLU H H 777 8.027 7.741 0.286 1
1 1624 . 2 1 1 A 154 154 GLU CA C 777 57.720 58.419 -0.699 1
1 1625 . 2 1 1 A 154 154 GLU HA H 777 4.216 4.230 -0.014 1
1 1626 . 2 1 1 A 154 154 GLU CB C 777 29.977 29.505 0.472 1
1 1631 . 2 1 1 A 155 155 ASP N N 778 119.283 118.212 1.071 1
1 1632 . 2 1 1 A 155 155 ASP H H 778 8.372 8.956 -0.584 1
1 1633 . 2 1 1 A 155 155 ASP CA C 778 54.709 56.263 -1.554 1
1 1634 . 2 1 1 A 155 155 ASP HA H 778 4.602 4.620 -0.018 1
1 1635 . 2 1 1 A 155 155 ASP CB C 778 40.600 41.280 -0.680 1
1 1638 . 2 1 1 A 156 156 LYS N N 779 120.684 118.045 2.639 1
1 1639 . 2 1 1 A 156 156 LYS H H 779 8.068 7.683 0.385 1
1 1640 . 2 1 1 A 156 156 LYS CA C 779 56.388 56.000 0.388 1
1 1641 . 2 1 1 A 156 156 LYS HA H 779 4.333 4.362 -0.029 1
1 1642 . 2 1 1 A 156 156 LYS CB C 779 32.814 33.150 -0.336 1
1 1651 . 2 1 1 A 157 157 ALA N N 780 123.182 123.769 -0.587 1
1 1652 . 2 1 1 A 157 157 ALA H H 780 8.197 8.419 -0.222 1
1 1653 . 2 1 1 A 157 157 ALA CA C 780 52.591 51.494 1.097 1
1 1654 . 2 1 1 A 157 157 ALA HA H 780 4.337 4.616 -0.279 1
1 1655 . 2 1 1 A 157 157 ALA CB C 780 19.186 19.029 0.157 1
1 1659 . 2 1 1 A 158 158 ASP N N 781 118.794 119.444 -0.650 1
1 1660 . 2 1 1 A 158 158 ASP H H 781 8.222 7.895 0.327 1
1 1661 . 2 1 1 A 158 158 ASP CA C 781 54.003 54.769 -0.766 1
1 1662 . 2 1 1 A 158 158 ASP HA H 781 4.673 4.655 0.018 1
1 1663 . 2 1 1 A 158 158 ASP CB C 781 41.075 40.431 0.644 1
1 1666 . 2 1 1 A 159 159 VAL N N 782 120.713 118.609 2.104 1
1 1667 . 2 1 1 A 159 159 VAL H H 782 8.039 7.509 0.530 1
1 1668 . 2 1 1 A 159 159 VAL CA C 782 63.898 65.857 -1.959 1
1 1669 . 2 1 1 A 159 159 VAL HA H 782 4.028 3.626 0.402 1
1 1670 . 2 1 1 A 159 159 VAL CB C 782 32.181 31.431 0.750 1
1 1680 . 2 1 1 A 160 160 GLN N N 783 120.756 120.002 0.754 1
1 1681 . 2 1 1 A 160 160 GLN H H 783 8.370 7.391 0.979 1
1 1682 . 2 1 1 A 160 160 GLN CA C 783 57.563 55.929 1.634 1
1 1683 . 2 1 1 A 160 160 GLN HA H 783 4.219 4.292 -0.073 1
1 1684 . 2 1 1 A 160 160 GLN CB C 783 28.410 29.151 -0.741 1
1 1691 . 2 1 1 A 161 161 SER N N 784 116.111 113.607 2.504 1
1 1692 . 2 1 1 A 161 161 SER H H 784 8.190 8.015 0.175 1
1 1693 . 2 1 1 A 161 161 SER CA C 784 60.089 61.255 -1.166 1
1 1694 . 2 1 1 A 161 161 SER HA H 784 4.361 4.370 -0.009 1
1 1695 . 2 1 1 A 161 161 SER CB C 784 62.955 63.349 -0.394 1
1 1698 . 2 1 1 A 162 162 ILE N N 785 122.105 120.826 1.279 1
1 1699 . 2 1 1 A 162 162 ILE H H 785 8.014 7.701 0.313 1
1 1700 . 2 1 1 A 162 162 ILE CA C 785 62.963 63.827 -0.864 1
1 1701 . 2 1 1 A 162 162 ILE HA H 785 3.986 3.400 0.586 1
1 1702 . 2 1 1 A 162 162 ILE CB C 785 37.568 37.163 0.405 1
1 1715 . 2 1 1 A 163 163 ILE N N 786 122.150 121.278 0.872 1
1 1716 . 2 1 1 A 163 163 ILE H H 786 7.913 8.212 -0.299 1
1 1717 . 2 1 1 A 163 163 ILE CA C 786 64.074 65.141 -1.067 1
1 1718 . 2 1 1 A 163 163 ILE HA H 786 3.947 3.561 0.386 1
1 1719 . 2 1 1 A 163 163 ILE CB C 786 37.561 37.702 -0.141 1
1 1732 . 2 1 1 A 164 164 GLY N N 787 107.177 108.028 -0.851 1
1 1733 . 2 1 1 A 164 164 GLY H H 787 8.057 7.967 0.090 1
1 1734 . 2 1 1 A 164 164 GLY CA C 787 46.938 47.336 -0.398 1
1 1735 . 2 1 1 A 164 164 GLY HA3 H 787 3.907 3.651 0.256 1
1 1736 . 2 1 1 A 164 164 GLY HA2 H 787 4.007 3.598 0.409 1
1 1737 . 2 1 1 A 165 165 LEU N N 788 123.590 122.782 0.808 1
1 1738 . 2 1 1 A 165 165 LEU H H 788 7.676 8.454 -0.778 1
1 1739 . 2 1 1 A 165 165 LEU CA C 788 57.738 57.713 0.025 1
1 1740 . 2 1 1 A 165 165 LEU HA H 788 4.052 3.878 0.174 1
1 1741 . 2 1 1 A 165 165 LEU CB C 788 40.833 41.294 -0.461 1
1 1753 . 2 1 1 A 166 166 GLN N N 789 119.114 116.447 2.667 1
1 1754 . 2 1 1 A 166 166 GLN H H 789 7.956 8.359 -0.403 1
1 1755 . 2 1 1 A 166 166 GLN CA C 789 59.445 59.009 0.436 1
1 1756 . 2 1 1 A 166 166 GLN HA H 789 3.844 3.748 0.096 1
1 1757 . 2 1 1 A 166 166 GLN CB C 789 27.826 28.134 -0.308 1
1 1765 . 2 1 1 A 167 167 ARG N N 790 118.851 119.778 -0.927 1
1 1766 . 2 1 1 A 167 167 ARG H H 790 8.387 8.079 0.308 1
1 1767 . 2 1 1 A 167 167 ARG CA C 790 58.942 59.134 -0.192 1
1 1768 . 2 1 1 A 167 167 ARG HA H 790 4.191 4.102 0.089 1
1 1769 . 2 1 1 A 167 167 ARG CB C 790 29.829 30.583 -0.754 1
1 1776 . 2 1 1 A 168 168 PHE N N 791 122.408 120.912 1.496 1
1 1777 . 2 1 1 A 168 168 PHE H H 791 8.127 8.765 -0.638 1
1 1778 . 2 1 1 A 168 168 PHE CA C 791 61.976 61.383 0.593 1
1 1779 . 2 1 1 A 168 168 PHE HA H 791 4.164 4.402 -0.238 1
1 1780 . 2 1 1 A 168 168 PHE CB C 791 38.894 38.923 -0.029 1
1 1788 . 2 1 1 A 169 169 PHE N N 792 119.223 120.624 -1.401 1
1 1789 . 2 1 1 A 169 169 PHE H H 792 8.500 9.162 -0.662 1
1 1790 . 2 1 1 A 169 169 PHE CA C 792 61.093 62.362 -1.269 1
1 1791 . 2 1 1 A 169 169 PHE HA H 792 4.053 4.463 -0.410 1
1 1792 . 2 1 1 A 169 169 PHE CB C 792 39.182 39.617 -0.435 1
1 1800 . 2 1 1 A 170 170 GLU N N 793 119.089 118.082 1.007 1
1 1801 . 2 1 1 A 170 170 GLU H H 793 8.718 8.142 0.576 1
1 1802 . 2 1 1 A 170 170 GLU CA C 793 59.843 59.138 0.705 1
1 1803 . 2 1 1 A 170 170 GLU HA H 793 3.483 3.624 -0.141 1
1 1804 . 2 1 1 A 170 170 GLU CB C 793 29.372 28.986 0.386 1
1 1810 . 2 1 1 A 171 171 THR N N 794 115.081 117.878 -2.797 1
1 1811 . 2 1 1 A 171 171 THR H H 794 8.205 8.046 0.159 1
1 1812 . 2 1 1 A 171 171 THR CA C 794 66.661 66.970 -0.309 1
1 1813 . 2 1 1 A 171 171 THR HA H 794 3.935 3.683 0.252 1
1 1814 . 2 1 1 A 171 171 THR CB C 794 68.604 68.523 0.081 1
1 1820 . 2 1 1 A 172 172 ARG N N 795 120.165 118.865 1.300 1
1 1821 . 2 1 1 A 172 172 ARG H H 795 7.776 8.094 -0.318 1
1 1822 . 2 1 1 A 172 172 ARG CA C 795 57.535 59.866 -2.331 1
1 1823 . 2 1 1 A 172 172 ARG HA H 795 4.030 3.952 0.078 1
1 1824 . 2 1 1 A 172 172 ARG CB C 795 29.886 29.901 -0.015 1
1 1828 . 2 1 1 A 173 173 MET N N 796 120.347 119.180 1.167 1
1 1829 . 2 1 1 A 173 173 MET H H 796 8.503 8.052 0.451 1
1 1830 . 2 1 1 A 173 173 MET CA C 796 57.453 58.141 -0.688 1
1 1831 . 2 1 1 A 173 173 MET HA H 796 4.383 4.134 0.249 1
1 1832 . 2 1 1 A 173 173 MET CB C 796 30.469 31.891 -1.422 1
1 1840 . 2 1 1 A 174 174 ASN N N 797 119.200 117.880 1.320 1
1 1841 . 2 1 1 A 174 174 ASN H H 797 8.351 8.267 0.084 1
1 1842 . 2 1 1 A 174 174 ASN CA C 797 55.851 55.932 -0.081 1
1 1843 . 2 1 1 A 174 174 ASN HA H 797 4.510 4.430 0.080 1
1 1844 . 2 1 1 A 174 174 ASN CB C 797 38.213 38.500 -0.287 1
1 1850 . 2 1 1 A 175 175 GLU N N 798 119.589 118.447 1.142 1
1 1851 . 2 1 1 A 175 175 GLU H H 798 7.896 8.882 -0.986 1
1 1852 . 2 1 1 A 175 175 GLU CA C 798 59.033 58.360 0.673 1
1 1853 . 2 1 1 A 175 175 GLU HA H 798 3.967 4.378 -0.411 1
1 1854 . 2 1 1 A 175 175 GLU CB C 798 29.296 29.322 -0.026 1
1 1860 . 2 1 1 A 176 176 ALA N N 799 116.937 121.998 -5.061 1
1 1861 . 2 1 1 A 176 176 ALA H H 799 8.030 7.806 0.224 1
1 1862 . 2 1 1 A 176 176 ALA CA C 799 54.179 54.090 0.089 1
1 1863 . 2 1 1 A 176 176 ALA HA H 799 4.085 4.396 -0.311 1
1 1864 . 2 1 1 A 176 176 ALA CB C 799 19.432 19.400 0.032 1
1 1868 . 2 1 1 A 177 177 PHE N N 800 112.840 114.499 -1.659 1
1 1869 . 2 1 1 A 177 177 PHE H H 800 8.544 8.020 0.524 1
1 1870 . 2 1 1 A 177 177 PHE CA C 800 59.182 58.094 1.088 1
1 1871 . 2 1 1 A 177 177 PHE HA H 800 4.515 4.610 -0.095 1
1 1872 . 2 1 1 A 177 177 PHE CB C 800 39.642 38.869 0.773 1
1 1881 . 2 1 1 A 178 178 GLY N N 801 110.339 106.663 3.676 1
1 1882 . 2 1 1 A 178 178 GLY H H 801 7.974 7.826 0.148 1
1 1883 . 2 1 1 A 178 178 GLY CA C 801 45.607 45.327 0.280 1
1 1884 . 2 1 1 A 178 178 GLY HA3 H 801 3.988 3.804 0.184 1
1 1885 . 2 1 1 A 178 178 GLY HA2 H 801 4.031 3.406 0.625 1
1 1886 . 2 1 1 A 179 179 ASP N N 802 119.627 119.568 0.059 1
1 1887 . 2 1 1 A 179 179 ASP H H 802 8.185 8.403 -0.218 1
1 1888 . 2 1 1 A 179 179 ASP CA C 802 53.949 55.941 -1.992 1
1 1889 . 2 1 1 A 179 179 ASP HA H 802 4.679 5.194 -0.515 1
1 1890 . 2 1 1 A 179 179 ASP CB C 802 41.070 40.735 0.335 1
1 1892 . 2 1 1 A 180 180 THR N N 803 113.769 113.214 0.555 1
1 1893 . 2 1 1 A 180 180 THR H H 803 8.037 7.606 0.431 1
1 1894 . 2 1 1 A 180 180 THR CA C 803 61.885 61.315 0.570 1
1 1895 . 2 1 1 A 180 180 THR HA H 803 4.331 4.888 -0.557 1
1 1896 . 2 1 1 A 180 180 THR CB C 803 70.002 70.470 -0.468 1
1 1902 . 2 1 1 A 181 181 LYS N N 804 122.277 122.146 0.131 1
1 1903 . 2 1 1 A 181 181 LYS H H 804 8.198 7.286 0.912 1
1 1904 . 2 1 1 A 181 181 LYS CA C 804 56.652 57.227 -0.575 1
1 1905 . 2 1 1 A 181 181 LYS HA H 804 4.151 4.011 0.140 1
1 1906 . 2 1 1 A 181 181 LYS CB C 804 32.377 31.481 0.896 1
1 1914 . 2 1 1 A 182 182 PHE N N 805 119.784 114.751 5.033 1
1 1915 . 2 1 1 A 182 182 PHE H H 805 8.206 7.838 0.368 1
1 1916 . 2 1 1 A 182 182 PHE CA C 805 57.256 57.544 -0.288 1
1 1917 . 2 1 1 A 182 182 PHE HA H 805 4.664 4.748 -0.084 1
1 1918 . 2 1 1 A 182 182 PHE CB C 805 38.774 40.450 -1.676 1
1 1927 . 2 1 1 A 183 183 SER N N 806 123.742 112.409 11.333 1
1 1928 . 2 1 1 A 183 183 SER H H 806 8.121 8.324 -0.203 1
1 1929 . 2 1 1 A 183 183 SER CA C 806 58.203 56.941 1.262 1
1 1930 . 2 1 1 A 183 183 SER HA H 806 4.361 4.764 -0.403 1
1 1931 . 2 1 1 A 183 183 SER CB C 806 63.764 64.531 -0.767 1
1 1934 . 2 1 1 A 184 184 ALA N N 807 125.704 129.103 -3.399 1
1 1935 . 2 1 1 A 184 184 ALA H H 807 8.286 8.719 -0.433 1
1 1936 . 2 1 1 A 184 184 ALA CA C 807 52.574 55.489 -2.915 1
1 1937 . 2 1 1 A 184 184 ALA HA H 807 4.360 4.129 0.231 1
1 1938 . 2 1 1 A 184 184 ALA CB C 807 18.947 18.783 0.164 1
1 1942 . 2 1 1 A 185 185 VAL N N 808 118.271 113.618 4.653 1
1 1943 . 2 1 1 A 185 185 VAL H H 808 7.958 7.920 0.038 1
1 1944 . 2 1 1 A 185 185 VAL CA C 808 62.216 62.392 -0.176 1
1 1945 . 2 1 1 A 185 185 VAL HA H 808 4.151 4.113 0.038 1
1 1946 . 2 1 1 A 185 185 VAL CB C 808 32.178 31.768 0.410 1
1 1952 . 2 1 1 A 186 186 LEU N N 809 125.280 121.853 3.427 1
1 1953 . 2 1 1 A 186 186 LEU H H 809 8.195 7.595 0.600 1
1 1954 . 2 1 1 A 186 186 LEU CA C 809 54.474 54.902 -0.428 1
1 1955 . 2 1 1 A 186 186 LEU HA H 809 4.430 4.422 0.008 1
1 1956 . 2 1 1 A 186 186 LEU CB C 809 42.303 42.313 -0.010 1
1 1968 . 2 1 1 A 187 187 VAL N N 810 120.937 117.652 3.285 1
1 1969 . 2 1 1 A 187 187 VAL H H 810 7.985 7.642 0.343 1
1 1970 . 2 1 1 A 187 187 VAL CA C 810 62.004 63.463 -1.459 1
1 1971 . 2 1 1 A 187 187 VAL HA H 810 4.155 4.116 0.039 1
1 1972 . 2 1 1 A 187 187 VAL CB C 810 32.602 32.547 0.055 1
1 1979 . 2 1 1 A 188 188 GLU N N 811 126.353 123.183 3.170 1
1 1980 . 2 1 1 A 188 188 GLU H H 811 8.292 7.696 0.596 1
1 1981 . 2 1 1 A 188 188 GLU CA C 811 54.162 54.250 -0.088 1
1 1982 . 2 1 1 A 188 188 GLU HA H 811 4.609 4.481 0.128 1
1 1983 . 2 1 1 A 188 188 GLU CB C 811 29.775 30.513 -0.738 1
1 1 . 3 1 1 A 2 2 ALA CA C 625 52.969 50.312 2.657 1
1 2 . 3 1 1 A 2 2 ALA HA H 625 4.493 4.795 -0.302 1
1 3 . 3 1 1 A 2 2 ALA CB C 625 19.272 21.192 -1.920 1
1 7 . 3 1 1 A 3 3 THR N N 626 113.570 118.100 -4.530 1
1 8 . 3 1 1 A 3 3 THR H H 626 8.176 8.645 -0.469 1
1 9 . 3 1 1 A 3 3 THR CA C 626 61.314 63.166 -1.852 1
1 10 . 3 1 1 A 3 3 THR HA H 626 4.298 4.425 -0.127 1
1 11 . 3 1 1 A 3 3 THR CB C 626 69.270 68.247 1.023 1
1 17 . 3 1 1 A 4 4 ILE N N 627 115.272 121.464 -6.192 1
1 18 . 3 1 1 A 4 4 ILE H H 627 7.549 8.448 -0.899 1
1 19 . 3 1 1 A 4 4 ILE CA C 627 58.731 58.854 -0.123 1
1 20 . 3 1 1 A 4 4 ILE HA H 627 4.258 5.250 -0.992 1
1 21 . 3 1 1 A 4 4 ILE CB C 627 42.246 41.570 0.676 1
1 34 . 3 1 1 A 5 5 CYS N N 628 124.095 123.806 0.289 1
1 35 . 3 1 1 A 5 5 CYS H H 628 7.766 8.689 -0.923 1
1 36 . 3 1 1 A 5 5 CYS CA C 628 57.978 57.866 0.112 1
1 37 . 3 1 1 A 5 5 CYS HA H 628 3.781 4.436 -0.655 1
1 38 . 3 1 1 A 5 5 CYS CB C 628 31.436 26.303 5.133 1
1 41 . 3 1 1 A 6 6 ARG N N 629 129.928 126.496 3.432 1
1 42 . 3 1 1 A 6 6 ARG H H 629 9.040 8.764 0.276 1
1 43 . 3 1 1 A 6 6 ARG CA C 629 57.514 59.592 -2.078 1
1 44 . 3 1 1 A 6 6 ARG HA H 629 3.900 3.929 -0.029 1
1 45 . 3 1 1 A 6 6 ARG CB C 629 30.251 29.855 0.396 1
1 54 . 3 1 1 A 7 7 VAL N N 630 118.166 120.230 -2.064 1
1 55 . 3 1 1 A 7 7 VAL H H 630 8.734 8.282 0.452 1
1 56 . 3 1 1 A 7 7 VAL CA C 630 65.770 66.883 -1.113 1
1 57 . 3 1 1 A 7 7 VAL HA H 630 4.137 4.081 0.056 1
1 58 . 3 1 1 A 7 7 VAL CB C 630 33.079 31.714 1.365 1
1 68 . 3 1 1 A 8 8 CYS N N 631 116.148 118.169 -2.021 1
1 69 . 3 1 1 A 8 8 CYS H H 631 8.143 8.172 -0.029 1
1 70 . 3 1 1 A 8 8 CYS CA C 631 59.154 61.069 -1.915 1
1 71 . 3 1 1 A 8 8 CYS HA H 631 5.105 4.578 0.527 1
1 72 . 3 1 1 A 8 8 CYS CB C 631 31.184 28.199 2.985 1
1 75 . 3 1 1 A 9 9 GLN N N 632 115.248 117.501 -2.253 1
1 76 . 3 1 1 A 9 9 GLN H H 632 8.132 9.071 -0.939 1
1 77 . 3 1 1 A 9 9 GLN CA C 632 57.404 57.312 0.092 1
1 78 . 3 1 1 A 9 9 GLN HA H 632 4.068 3.926 0.142 1
1 79 . 3 1 1 A 9 9 GLN CB C 632 26.002 26.464 -0.462 1
1 88 . 3 1 1 A 10 10 LYS N N 633 118.420 119.431 -1.011 1
1 89 . 3 1 1 A 10 10 LYS H H 633 8.091 7.891 0.200 1
1 90 . 3 1 1 A 10 10 LYS CA C 633 53.835 52.662 1.173 1
1 91 . 3 1 1 A 10 10 LYS HA H 633 5.046 4.710 0.336 1
1 92 . 3 1 1 A 10 10 LYS CB C 633 33.312 33.268 0.044 1
1 102 . 3 1 1 A 11 11 PRO CA C 634 62.136 63.081 -0.945 1
1 103 . 3 1 1 A 11 11 PRO HA H 634 5.056 5.324 -0.268 1
1 104 . 3 1 1 A 11 11 PRO CB C 634 33.061 32.103 0.958 1
1 112 . 3 1 1 A 12 12 GLY N N 635 106.958 107.838 -0.880 1
1 113 . 3 1 1 A 12 12 GLY H H 635 8.475 7.666 0.809 1
1 114 . 3 1 1 A 12 12 GLY CA C 635 45.303 45.449 -0.146 1
1 115 . 3 1 1 A 12 12 GLY HA3 H 635 3.812 4.298 -0.486 1
1 116 . 3 1 1 A 12 12 GLY HA2 H 635 4.438 4.240 0.198 1
1 117 . 3 1 1 A 13 13 ASP N N 636 124.001 121.437 2.564 1
1 118 . 3 1 1 A 13 13 ASP H H 636 8.729 8.531 0.198 1
1 119 . 3 1 1 A 13 13 ASP CA C 636 54.239 53.470 0.769 1
1 120 . 3 1 1 A 13 13 ASP HA H 636 4.656 4.734 -0.078 1
1 121 . 3 1 1 A 13 13 ASP CB C 636 39.425 39.086 0.339 1
1 124 . 3 1 1 A 14 14 LEU N N 637 121.435 121.137 0.298 1
1 125 . 3 1 1 A 14 14 LEU H H 637 7.849 7.479 0.370 1
1 126 . 3 1 1 A 14 14 LEU CA C 637 53.306 54.598 -1.292 1
1 127 . 3 1 1 A 14 14 LEU HA H 637 4.546 4.470 0.076 1
1 128 . 3 1 1 A 14 14 LEU CB C 637 44.117 42.040 2.077 1
1 141 . 3 1 1 A 15 15 VAL N N 638 118.100 118.882 -0.782 1
1 142 . 3 1 1 A 15 15 VAL H H 638 8.703 8.607 0.096 1
1 143 . 3 1 1 A 15 15 VAL CA C 638 59.865 60.969 -1.104 1
1 144 . 3 1 1 A 15 15 VAL HA H 638 4.383 4.663 -0.280 1
1 145 . 3 1 1 A 15 15 VAL CB C 638 33.305 32.547 0.758 1
1 155 . 3 1 1 A 16 16 MET N N 639 125.271 128.152 -2.881 1
1 156 . 3 1 1 A 16 16 MET H H 639 8.519 9.152 -0.633 1
1 157 . 3 1 1 A 16 16 MET CA C 639 54.122 54.214 -0.092 1
1 158 . 3 1 1 A 16 16 MET HA H 639 5.210 4.990 0.220 1
1 159 . 3 1 1 A 16 16 MET CB C 639 36.310 34.494 1.816 1
1 169 . 3 1 1 A 17 17 CYS N N 640 129.455 124.811 4.644 1
1 170 . 3 1 1 A 17 17 CYS H H 640 9.139 9.183 -0.044 1
1 171 . 3 1 1 A 17 17 CYS CA C 640 59.996 60.190 -0.194 1
1 172 . 3 1 1 A 17 17 CYS HA H 640 4.658 4.778 -0.120 1
1 173 . 3 1 1 A 17 17 CYS CB C 640 31.238 28.912 2.326 1
1 176 . 3 1 1 A 18 18 ASN N N 641 128.271 126.409 1.862 1
1 177 . 3 1 1 A 18 18 ASN H H 641 8.914 9.193 -0.279 1
1 178 . 3 1 1 A 18 18 ASN CA C 641 55.658 54.446 1.212 1
1 179 . 3 1 1 A 18 18 ASN HA H 641 4.584 4.561 0.023 1
1 180 . 3 1 1 A 18 18 ASN CB C 641 38.955 37.347 1.608 1
1 186 . 3 1 1 A 19 19 GLN N N 642 121.426 116.055 5.371 1
1 187 . 3 1 1 A 19 19 GLN H H 642 9.313 7.878 1.435 1
1 188 . 3 1 1 A 19 19 GLN CA C 642 57.971 56.567 1.404 1
1 189 . 3 1 1 A 19 19 GLN HA H 642 4.502 4.434 0.068 1
1 190 . 3 1 1 A 19 19 GLN CB C 642 30.466 31.479 -1.013 1
1 197 . 3 1 1 A 20 20 CYS N N 643 120.207 116.415 3.792 1
1 198 . 3 1 1 A 20 20 CYS H H 643 8.542 7.646 0.896 1
1 199 . 3 1 1 A 20 20 CYS CA C 643 59.473 58.549 0.924 1
1 200 . 3 1 1 A 20 20 CYS HA H 643 4.663 4.743 -0.080 1
1 201 . 3 1 1 A 20 20 CYS CB C 643 31.889 27.885 4.004 1
1 204 . 3 1 1 A 21 21 GLU N N 644 114.113 117.073 -2.960 1
1 205 . 3 1 1 A 21 21 GLU H H 644 7.441 7.653 -0.212 1
1 206 . 3 1 1 A 21 21 GLU CA C 644 57.994 57.678 0.316 1
1 207 . 3 1 1 A 21 21 GLU HA H 644 4.285 3.897 0.388 1
1 208 . 3 1 1 A 21 21 GLU CB C 644 26.843 27.174 -0.331 1
1 214 . 3 1 1 A 22 22 PHE N N 645 120.911 119.795 1.116 1
1 215 . 3 1 1 A 22 22 PHE H H 645 8.941 8.105 0.836 1
1 216 . 3 1 1 A 22 22 PHE CA C 645 57.356 56.744 0.612 1
1 217 . 3 1 1 A 22 22 PHE HA H 645 4.777 4.799 -0.022 1
1 218 . 3 1 1 A 22 22 PHE CB C 645 38.709 39.773 -1.064 1
1 226 . 3 1 1 A 23 23 CYS N N 646 115.830 125.019 -9.189 1
1 227 . 3 1 1 A 23 23 CYS H H 646 8.137 9.044 -0.907 1
1 228 . 3 1 1 A 23 23 CYS CA C 646 56.600 57.329 -0.729 1
1 229 . 3 1 1 A 23 23 CYS HA H 646 5.813 6.787 -0.974 1
1 230 . 3 1 1 A 23 23 CYS CB C 646 30.951 30.727 0.224 1
1 233 . 3 1 1 A 24 24 PHE N N 647 116.053 120.497 -4.444 1
1 234 . 3 1 1 A 24 24 PHE H H 647 9.011 8.368 0.643 1
1 235 . 3 1 1 A 24 24 PHE CA C 647 56.827 56.827 0.000 1
1 236 . 3 1 1 A 24 24 PHE HA H 647 5.910 4.785 1.125 1
1 237 . 3 1 1 A 24 24 PHE CB C 647 44.608 43.506 1.102 1
1 246 . 3 1 1 A 25 25 HIS N N 648 120.957 121.378 -0.421 1
1 247 . 3 1 1 A 25 25 HIS H H 648 8.427 8.595 -0.168 1
1 248 . 3 1 1 A 25 25 HIS CA C 648 58.971 56.121 2.850 1
1 249 . 3 1 1 A 25 25 HIS HA H 648 4.929 4.601 0.328 1
1 250 . 3 1 1 A 25 25 HIS CB C 648 31.178 29.833 1.345 1
1 257 . 3 1 1 A 26 26 LEU N N 649 123.176 117.059 6.117 1
1 258 . 3 1 1 A 26 26 LEU H H 649 9.369 8.023 1.346 1
1 259 . 3 1 1 A 26 26 LEU CA C 649 59.646 57.600 2.046 1
1 260 . 3 1 1 A 26 26 LEU HA H 649 3.829 3.694 0.135 1
1 261 . 3 1 1 A 26 26 LEU CB C 649 39.426 40.227 -0.801 1
1 274 . 3 1 1 A 27 27 ASP N N 650 109.058 119.741 -10.683 1
1 275 . 3 1 1 A 27 27 ASP H H 650 8.326 9.306 -0.980 1
1 276 . 3 1 1 A 27 27 ASP CA C 650 53.998 57.631 -3.633 1
1 277 . 3 1 1 A 27 27 ASP HA H 650 4.739 4.351 0.388 1
1 278 . 3 1 1 A 27 27 ASP CB C 650 40.331 41.519 -1.188 1
1 280 . 3 1 1 A 28 28 CYS N N 651 117.495 115.154 2.341 1
1 281 . 3 1 1 A 28 28 CYS H H 651 7.480 7.918 -0.438 1
1 282 . 3 1 1 A 28 28 CYS CA C 651 61.534 61.766 -0.232 1
1 283 . 3 1 1 A 28 28 CYS HA H 651 4.245 4.221 0.024 1
1 284 . 3 1 1 A 28 28 CYS CB C 651 31.646 28.009 3.637 1
1 286 . 3 1 1 A 29 29 HIS N N 652 116.384 121.842 -5.458 1
1 287 . 3 1 1 A 29 29 HIS H H 652 6.894 7.468 -0.574 1
1 288 . 3 1 1 A 29 29 HIS CA C 652 59.713 57.261 2.452 1
1 289 . 3 1 1 A 29 29 HIS HA H 652 3.644 3.603 0.041 1
1 290 . 3 1 1 A 29 29 HIS CB C 652 27.909 30.884 -2.975 1
1 296 . 3 1 1 A 30 30 LEU N N 653 121.110 126.385 -5.275 1
1 297 . 3 1 1 A 30 30 LEU H H 653 4.525 8.056 -3.531 1
1 298 . 3 1 1 A 30 30 LEU CA C 653 51.439 59.421 -7.982 1
1 299 . 3 1 1 A 30 30 LEU HA H 653 4.515 3.500 1.015 1
1 300 . 3 1 1 A 30 30 LEU CB C 653 46.001 41.078 4.923 1
1 312 . 3 1 1 A 31 31 PRO CA C 654 62.964 63.545 -0.581 1
1 313 . 3 1 1 A 31 31 PRO HA H 654 4.471 4.442 0.029 1
1 314 . 3 1 1 A 31 31 PRO CB C 654 34.045 32.421 1.624 1
1 322 . 3 1 1 A 32 32 ALA N N 655 125.871 120.218 5.653 1
1 323 . 3 1 1 A 32 32 ALA H H 655 8.766 8.233 0.533 1
1 324 . 3 1 1 A 32 32 ALA CA C 655 52.771 52.954 -0.183 1
1 325 . 3 1 1 A 32 32 ALA HA H 655 4.349 5.149 -0.800 1
1 326 . 3 1 1 A 32 32 ALA CB C 655 18.177 17.895 0.282 1
1 330 . 3 1 1 A 33 33 LEU N N 656 123.348 125.150 -1.802 1
1 331 . 3 1 1 A 33 33 LEU H H 656 8.230 8.538 -0.308 1
1 332 . 3 1 1 A 33 33 LEU CA C 656 54.014 57.585 -3.571 1
1 333 . 3 1 1 A 33 33 LEU HA H 656 4.445 3.881 0.564 1
1 334 . 3 1 1 A 33 33 LEU CB C 656 43.197 42.111 1.086 1
1 347 . 3 1 1 A 34 34 GLN N N 657 119.992 115.102 4.890 1
1 348 . 3 1 1 A 34 34 GLN H H 657 8.679 7.779 0.900 1
1 349 . 3 1 1 A 34 34 GLN CA C 657 56.354 57.861 -1.507 1
1 350 . 3 1 1 A 34 34 GLN HA H 657 4.159 3.956 0.203 1
1 351 . 3 1 1 A 34 34 GLN CB C 657 29.555 26.714 2.841 1
1 359 . 3 1 1 A 35 35 ASP N N 658 115.420 115.599 -0.179 1
1 360 . 3 1 1 A 35 35 ASP H H 658 7.457 7.562 -0.105 1
1 361 . 3 1 1 A 35 35 ASP CA C 658 51.696 53.943 -2.247 1
1 362 . 3 1 1 A 35 35 ASP HA H 658 4.626 4.901 -0.275 1
1 363 . 3 1 1 A 35 35 ASP CB C 658 43.431 43.245 0.186 1
1 366 . 3 1 1 A 36 36 VAL N N 659 122.099 121.059 1.040 1
1 367 . 3 1 1 A 36 36 VAL H H 659 8.624 8.549 0.075 1
1 368 . 3 1 1 A 36 36 VAL CA C 659 60.994 61.091 -0.097 1
1 369 . 3 1 1 A 36 36 VAL HA H 659 3.752 3.929 -0.177 1
1 370 . 3 1 1 A 36 36 VAL CB C 659 32.087 31.430 0.657 1
1 380 . 3 1 1 A 37 37 PRO CA C 660 62.728 63.418 -0.690 1
1 381 . 3 1 1 A 37 37 PRO HA H 660 4.454 4.636 -0.182 1
1 382 . 3 1 1 A 37 37 PRO CB C 660 32.835 31.635 1.200 1
1 391 . 3 1 1 A 38 38 GLY N N 661 106.940 108.924 -1.984 1
1 392 . 3 1 1 A 38 38 GLY H H 661 8.189 8.302 -0.113 1
1 393 . 3 1 1 A 38 38 GLY CA C 661 44.397 47.134 -2.737 1
1 394 . 3 1 1 A 38 38 GLY HA3 H 661 3.969 3.893 0.076 1
1 395 . 3 1 1 A 38 38 GLY HA2 H 661 4.190 3.890 0.300 1
1 396 . 3 1 1 A 39 39 GLU N N 662 117.365 120.813 -3.448 1
1 397 . 3 1 1 A 39 39 GLU H H 662 8.281 8.725 -0.444 1
1 398 . 3 1 1 A 39 39 GLU CA C 662 57.520 58.678 -1.158 1
1 399 . 3 1 1 A 39 39 GLU HA H 662 4.281 4.180 0.101 1
1 400 . 3 1 1 A 39 39 GLU CB C 662 30.013 29.712 0.301 1
1 405 . 3 1 1 A 40 40 GLU N N 663 117.986 117.870 0.116 1
1 406 . 3 1 1 A 40 40 GLU H H 663 8.697 8.222 0.475 1
1 407 . 3 1 1 A 40 40 GLU CA C 663 56.389 55.294 1.095 1
1 408 . 3 1 1 A 40 40 GLU HA H 663 4.293 4.684 -0.391 1
1 409 . 3 1 1 A 40 40 GLU CB C 663 28.787 30.462 -1.675 1
1 414 . 3 1 1 A 41 41 TRP N N 664 124.391 126.962 -2.571 1
1 415 . 3 1 1 A 41 41 TRP H H 664 7.967 8.732 -0.765 1
1 416 . 3 1 1 A 41 41 TRP CA C 664 59.934 57.215 2.719 1
1 417 . 3 1 1 A 41 41 TRP HA H 664 4.312 4.920 -0.608 1
1 418 . 3 1 1 A 41 41 TRP CB C 664 29.998 29.514 0.484 1
1 432 . 3 1 1 A 42 42 SER N N 665 120.355 120.917 -0.562 1
1 433 . 3 1 1 A 42 42 SER H H 665 6.873 8.466 -1.593 1
1 434 . 3 1 1 A 42 42 SER CA C 665 55.166 57.173 -2.007 1
1 435 . 3 1 1 A 42 42 SER HA H 665 5.259 4.841 0.418 1
1 436 . 3 1 1 A 42 42 SER CB C 665 65.990 63.289 2.701 1
1 439 . 3 1 1 A 43 43 CYS N N 666 125.642 122.507 3.135 1
1 440 . 3 1 1 A 43 43 CYS H H 666 9.271 8.119 1.152 1
1 441 . 3 1 1 A 43 43 CYS CA C 666 57.325 59.088 -1.763 1
1 442 . 3 1 1 A 43 43 CYS HA H 666 3.952 2.424 1.528 1
1 443 . 3 1 1 A 43 43 CYS CB C 666 34.022 27.016 7.006 1
1 446 . 3 1 1 A 44 44 SER N N 667 117.158 119.788 -2.630 1
1 447 . 3 1 1 A 44 44 SER H H 667 7.068 8.430 -1.362 1
1 448 . 3 1 1 A 44 44 SER CA C 667 61.353 62.076 -0.723 1
1 449 . 3 1 1 A 44 44 SER HA H 667 4.225 4.348 -0.123 1
1 450 . 3 1 1 A 44 44 SER CB C 667 63.693 63.628 0.065 1
1 453 . 3 1 1 A 45 45 LEU N N 668 120.667 120.216 0.451 1
1 454 . 3 1 1 A 45 45 LEU H H 668 8.965 8.091 0.874 1
1 455 . 3 1 1 A 45 45 LEU CA C 668 57.416 56.573 0.843 1
1 456 . 3 1 1 A 45 45 LEU HA H 668 4.178 4.141 0.037 1
1 457 . 3 1 1 A 45 45 LEU CB C 668 40.611 41.478 -0.867 1
1 470 . 3 1 1 A 46 46 CYS N N 669 121.872 116.197 5.675 1
1 471 . 3 1 1 A 46 46 CYS H H 669 7.816 8.913 -1.097 1
1 472 . 3 1 1 A 46 46 CYS CA C 669 62.557 59.483 3.074 1
1 473 . 3 1 1 A 46 46 CYS HA H 669 3.969 4.488 -0.519 1
1 474 . 3 1 1 A 46 46 CYS CB C 669 30.467 30.054 0.413 1
1 477 . 3 1 1 A 47 47 HIS N N 670 119.396 119.997 -0.601 1
1 478 . 3 1 1 A 47 47 HIS H H 670 8.077 7.495 0.582 1
1 479 . 3 1 1 A 47 47 HIS CA C 670 55.625 54.695 0.930 1
1 480 . 3 1 1 A 47 47 HIS HA H 670 4.429 4.771 -0.342 1
1 481 . 3 1 1 A 47 47 HIS CB C 670 30.326 29.938 0.388 1
1 488 . 3 1 1 A 48 48 VAL N N 671 123.528 124.959 -1.431 1
1 489 . 3 1 1 A 48 48 VAL H H 671 7.978 8.531 -0.553 1
1 490 . 3 1 1 A 48 48 VAL CA C 671 62.120 62.404 -0.284 1
1 491 . 3 1 1 A 48 48 VAL HA H 671 3.925 4.615 -0.690 1
1 492 . 3 1 1 A 48 48 VAL CB C 671 32.396 32.800 -0.404 1
1 502 . 3 1 1 A 49 49 LEU N N 672 126.622 129.044 -2.422 1
1 503 . 3 1 1 A 49 49 LEU H H 672 8.139 8.929 -0.790 1
1 504 . 3 1 1 A 49 49 LEU CA C 672 52.859 51.598 1.261 1
1 505 . 3 1 1 A 49 49 LEU HA H 672 4.475 4.847 -0.372 1
1 506 . 3 1 1 A 49 49 LEU CB C 672 41.536 43.380 -1.844 1
1 518 . 3 1 1 A 50 50 PRO CA C 673 62.715 65.332 -2.617 1
1 519 . 3 1 1 A 50 50 PRO HA H 673 4.386 4.317 0.069 1
1 520 . 3 1 1 A 50 50 PRO CB C 673 32.093 31.991 0.102 1
1 528 . 3 1 1 A 51 51 ASP N N 674 120.540 118.651 1.889 1
1 529 . 3 1 1 A 51 51 ASP H H 674 8.307 8.189 0.118 1
1 530 . 3 1 1 A 51 51 ASP CA C 674 54.202 55.653 -1.451 1
1 531 . 3 1 1 A 51 51 ASP HA H 674 4.564 4.294 0.270 1
1 532 . 3 1 1 A 51 51 ASP CB C 674 41.030 40.365 0.665 1
1 535 . 3 1 1 A 52 52 LEU N N 675 122.987 120.722 2.265 1
1 536 . 3 1 1 A 52 52 LEU H H 675 8.053 7.868 0.185 1
1 537 . 3 1 1 A 52 52 LEU CA C 675 54.945 54.007 0.938 1
1 538 . 3 1 1 A 52 52 LEU HA H 675 4.364 4.368 -0.004 1
1 539 . 3 1 1 A 52 52 LEU CB C 675 42.436 42.039 0.397 1
1 551 . 3 1 1 A 53 53 LYS N N 676 122.061 123.137 -1.076 1
1 552 . 3 1 1 A 53 53 LYS H H 676 8.340 8.925 -0.585 1
1 553 . 3 1 1 A 53 53 LYS CA C 676 56.060 58.430 -2.370 1
1 554 . 3 1 1 A 53 53 LYS HA H 676 4.331 4.163 0.168 1
1 555 . 3 1 1 A 53 53 LYS CB C 676 32.363 32.123 0.240 1
1 564 . 3 1 1 A 54 54 GLU N N 677 121.909 117.824 4.085 1
1 565 . 3 1 1 A 54 54 GLU H H 677 8.403 8.806 -0.403 1
1 566 . 3 1 1 A 54 54 GLU CA C 677 56.586 57.394 -0.808 1
1 567 . 3 1 1 A 54 54 GLU HA H 677 4.312 4.109 0.203 1
1 568 . 3 1 1 A 54 54 GLU CB C 677 30.221 28.212 2.009 1
1 573 . 3 1 1 A 55 55 GLU N N 678 121.528 119.876 1.652 1
1 574 . 3 1 1 A 55 55 GLU H H 678 8.486 7.994 0.492 1
1 575 . 3 1 1 A 55 55 GLU CA C 678 56.368 57.866 -1.498 1
1 576 . 3 1 1 A 55 55 GLU HA H 678 4.315 4.180 0.135 1
1 577 . 3 1 1 A 55 55 GLU CB C 678 28.896 29.477 -0.581 1
1 582 . 3 1 1 A 56 56 ASP N N 679 121.530 117.757 3.773 1
1 583 . 3 1 1 A 56 56 ASP H H 679 8.322 8.124 0.198 1
1 584 . 3 1 1 A 56 56 ASP CA C 679 54.252 56.248 -1.996 1
1 585 . 3 1 1 A 56 56 ASP HA H 679 4.680 4.701 -0.021 1
1 586 . 3 1 1 A 56 56 ASP CB C 679 41.146 39.506 1.640 1
1 588 . 3 1 1 A 57 57 GLY N N 680 109.997 109.588 0.409 1
1 589 . 3 1 1 A 57 57 GLY H H 680 8.412 8.574 -0.162 1
1 590 . 3 1 1 A 57 57 GLY CA C 680 45.247 45.619 -0.372 1
1 591 . 3 1 1 A 57 57 GLY HA2 H 680 4.020 3.970 0.050 1
1 592 . 3 1 1 A 58 58 SER N N 681 115.994 111.341 4.653 1
1 593 . 3 1 1 A 58 58 SER H H 681 8.280 7.797 0.483 1
1 594 . 3 1 1 A 58 58 SER CA C 681 58.239 57.417 0.822 1
1 595 . 3 1 1 A 58 58 SER HA H 681 3.996 4.667 -0.671 1
1 596 . 3 1 1 A 58 58 SER CB C 681 63.789 65.398 -1.609 1
1 598 . 3 1 1 A 59 59 LEU N N 682 123.362 122.908 0.454 1
1 599 . 3 1 1 A 59 59 LEU H H 682 8.164 7.521 0.643 1
1 600 . 3 1 1 A 59 59 LEU CA C 682 55.160 54.066 1.094 1
1 601 . 3 1 1 A 59 59 LEU HA H 682 4.427 4.882 -0.455 1
1 602 . 3 1 1 A 59 59 LEU CB C 682 42.473 44.992 -2.519 1
1 614 . 3 1 1 A 60 60 SER N N 683 116.385 118.785 -2.400 1
1 615 . 3 1 1 A 60 60 SER H H 683 8.226 8.765 -0.539 1
1 616 . 3 1 1 A 60 60 SER CA C 683 58.004 57.012 0.992 1
1 617 . 3 1 1 A 60 60 SER HA H 683 4.517 4.769 -0.252 1
1 618 . 3 1 1 A 60 60 SER CB C 683 63.651 63.233 0.418 1
1 620 . 3 1 1 A 61 61 LEU N N 684 124.466 124.741 -0.275 1
1 621 . 3 1 1 A 61 61 LEU H H 684 8.303 8.163 0.140 1
1 622 . 3 1 1 A 61 61 LEU CA C 684 54.959 56.685 -1.726 1
1 623 . 3 1 1 A 61 61 LEU HA H 684 4.412 4.085 0.327 1
1 624 . 3 1 1 A 61 61 LEU CB C 684 41.713 42.177 -0.464 1
1 635 . 3 1 1 A 62 62 ASP N N 685 120.536 116.666 3.870 1
1 636 . 3 1 1 A 62 62 ASP H H 685 8.267 7.771 0.496 1
1 637 . 3 1 1 A 62 62 ASP CA C 685 54.276 54.099 0.177 1
1 638 . 3 1 1 A 62 62 ASP HA H 685 4.680 4.889 -0.209 1
1 639 . 3 1 1 A 62 62 ASP CB C 685 41.125 44.412 -3.287 1
1 642 . 3 1 1 A 63 63 GLY N N 686 109.373 113.310 -3.937 1
1 643 . 3 1 1 A 63 63 GLY H H 686 8.277 8.751 -0.474 1
1 644 . 3 1 1 A 63 63 GLY CA C 686 45.297 44.591 0.706 1
1 645 . 3 1 1 A 63 63 GLY HA2 H 686 3.992 4.074 -0.082 1
1 646 . 3 1 1 A 64 64 ALA N N 687 123.584 122.223 1.361 1
1 647 . 3 1 1 A 64 64 ALA H H 687 8.129 8.185 -0.056 1
1 648 . 3 1 1 A 64 64 ALA CA C 687 52.637 54.945 -2.308 1
1 649 . 3 1 1 A 64 64 ALA HA H 687 4.379 3.899 0.480 1
1 650 . 3 1 1 A 64 64 ALA CB C 687 19.122 17.770 1.352 1
1 654 . 3 1 1 A 65 65 ASP N N 688 118.924 118.863 0.061 1
1 655 . 3 1 1 A 65 65 ASP H H 688 8.326 8.349 -0.023 1
1 656 . 3 1 1 A 65 65 ASP CA C 688 53.972 55.243 -1.271 1
1 657 . 3 1 1 A 65 65 ASP HA H 688 4.682 4.533 0.149 1
1 658 . 3 1 1 A 65 65 ASP CB C 688 41.061 41.232 -0.171 1
1 660 . 3 1 1 A 66 66 SER N N 689 116.036 117.329 -1.293 1
1 661 . 3 1 1 A 66 66 SER H H 689 8.285 8.537 -0.252 1
1 662 . 3 1 1 A 66 66 SER CA C 689 58.352 56.929 1.423 1
1 663 . 3 1 1 A 66 66 SER HA H 689 4.443 4.983 -0.540 1
1 664 . 3 1 1 A 66 66 SER CB C 689 63.665 65.288 -1.623 1
1 666 . 3 1 1 A 67 67 THR N N 690 115.059 113.910 1.149 1
1 667 . 3 1 1 A 67 67 THR H H 690 8.253 8.774 -0.521 1
1 668 . 3 1 1 A 67 67 THR CA C 690 62.556 63.664 -1.108 1
1 669 . 3 1 1 A 67 67 THR HA H 690 4.379 3.957 0.422 1
1 670 . 3 1 1 A 67 67 THR CB C 690 69.623 67.009 2.614 1
1 676 . 3 1 1 A 68 68 GLY N N 691 111.091 107.577 3.514 1
1 677 . 3 1 1 A 68 68 GLY H H 691 8.366 7.975 0.391 1
1 678 . 3 1 1 A 68 68 GLY CA C 691 45.297 45.778 -0.481 1
1 679 . 3 1 1 A 68 68 GLY HA2 H 691 4.002 4.192 -0.190 1
1 680 . 3 1 1 A 69 69 VAL N N 692 119.280 120.472 -1.192 1
1 681 . 3 1 1 A 69 69 VAL H H 692 7.876 8.087 -0.211 1
1 682 . 3 1 1 A 69 69 VAL CA C 692 62.068 65.961 -3.893 1
1 683 . 3 1 1 A 69 69 VAL HA H 692 4.176 3.727 0.449 1
1 684 . 3 1 1 A 69 69 VAL CB C 692 32.322 31.993 0.329 1
1 690 . 3 1 1 A 70 70 VAL N N 693 123.601 117.736 5.865 1
1 691 . 3 1 1 A 70 70 VAL H H 693 8.102 7.428 0.674 1
1 692 . 3 1 1 A 70 70 VAL CA C 693 61.886 63.330 -1.444 1
1 693 . 3 1 1 A 70 70 VAL HA H 693 4.150 4.240 -0.090 1
1 694 . 3 1 1 A 70 70 VAL CB C 693 32.429 33.824 -1.395 1
1 700 . 3 1 1 A 71 71 ALA N N 694 129.048 122.493 6.555 1
1 701 . 3 1 1 A 71 71 ALA H H 694 8.374 7.965 0.409 1
1 702 . 3 1 1 A 71 71 ALA CA C 694 52.125 53.538 -1.413 1
1 703 . 3 1 1 A 71 71 ALA HA H 694 4.454 4.056 0.398 1
1 704 . 3 1 1 A 71 71 ALA CB C 694 19.203 18.165 1.038 1
1 708 . 3 1 1 A 72 72 LYS N N 695 118.535 117.953 0.582 1
1 709 . 3 1 1 A 72 72 LYS H H 695 7.833 7.820 0.013 1
1 710 . 3 1 1 A 72 72 LYS CA C 695 54.556 59.357 -4.801 1
1 711 . 3 1 1 A 72 72 LYS HA H 695 4.827 3.974 0.853 1
1 712 . 3 1 1 A 72 72 LYS CB C 695 35.245 32.281 2.964 1
1 722 . 3 1 1 A 73 73 LEU N N 696 121.834 120.503 1.331 1
1 723 . 3 1 1 A 73 73 LEU H H 696 8.772 7.932 0.840 1
1 724 . 3 1 1 A 73 73 LEU CA C 696 54.973 55.057 -0.084 1
1 725 . 3 1 1 A 73 73 LEU HA H 696 4.268 4.456 -0.188 1
1 726 . 3 1 1 A 73 73 LEU CB C 696 42.467 42.793 -0.326 1
1 739 . 3 1 1 A 74 74 SER N N 697 121.120 114.673 6.447 1
1 740 . 3 1 1 A 74 74 SER H H 697 8.890 8.016 0.874 1
1 741 . 3 1 1 A 74 74 SER CA C 697 56.165 58.744 -2.579 1
1 742 . 3 1 1 A 74 74 SER HA H 697 4.710 4.581 0.129 1
1 743 . 3 1 1 A 74 74 SER CB C 697 62.177 62.294 -0.117 1
1 745 . 3 1 1 A 75 75 PRO CA C 698 66.251 65.098 1.153 1
1 746 . 3 1 1 A 75 75 PRO HA H 698 4.350 4.413 -0.063 1
1 747 . 3 1 1 A 75 75 PRO CB C 698 31.661 31.866 -0.205 1
1 755 . 3 1 1 A 76 76 ALA N N 699 117.914 119.697 -1.783 1
1 756 . 3 1 1 A 76 76 ALA H H 699 8.458 8.209 0.249 1
1 757 . 3 1 1 A 76 76 ALA CA C 699 55.000 55.021 -0.021 1
1 758 . 3 1 1 A 76 76 ALA HA H 699 4.132 4.307 -0.175 1
1 759 . 3 1 1 A 76 76 ALA CB C 699 18.785 19.513 -0.728 1
1 763 . 3 1 1 A 77 77 ASN N N 700 116.945 116.669 0.276 1
1 764 . 3 1 1 A 77 77 ASN H H 700 7.760 8.470 -0.710 1
1 765 . 3 1 1 A 77 77 ASN CA C 700 55.210 55.784 -0.574 1
1 766 . 3 1 1 A 77 77 ASN HA H 700 4.763 4.522 0.241 1
1 767 . 3 1 1 A 77 77 ASN CB C 700 38.005 37.940 0.065 1
1 770 . 3 1 1 A 78 78 GLN N N 701 124.719 120.365 4.354 1
1 771 . 3 1 1 A 78 78 GLN H H 701 9.480 8.545 0.935 1
1 772 . 3 1 1 A 78 78 GLN CA C 701 59.634 59.192 0.442 1
1 773 . 3 1 1 A 78 78 GLN HA H 701 3.673 3.995 -0.322 1
1 774 . 3 1 1 A 78 78 GLN CB C 701 27.114 28.465 -1.351 1
1 782 . 3 1 1 A 79 79 ARG N N 702 117.069 118.241 -1.172 1
1 783 . 3 1 1 A 79 79 ARG H H 702 7.654 7.745 -0.091 1
1 784 . 3 1 1 A 79 79 ARG CA C 702 57.561 59.549 -1.988 1
1 785 . 3 1 1 A 79 79 ARG HA H 702 4.487 4.421 0.066 1
1 786 . 3 1 1 A 79 79 ARG CB C 702 29.680 29.911 -0.231 1
1 794 . 3 1 1 A 80 80 LYS N N 703 119.251 118.269 0.982 1
1 795 . 3 1 1 A 80 80 LYS H H 703 7.636 8.514 -0.878 1
1 796 . 3 1 1 A 80 80 LYS CA C 703 60.735 59.285 1.450 1
1 797 . 3 1 1 A 80 80 LYS HA H 703 3.702 4.088 -0.386 1
1 798 . 3 1 1 A 80 80 LYS CB C 703 34.002 32.637 1.365 1
1 808 . 3 1 1 A 81 81 CYS N N 704 115.848 118.839 -2.991 1
1 809 . 3 1 1 A 81 81 CYS H H 704 8.031 8.353 -0.322 1
1 810 . 3 1 1 A 81 81 CYS CA C 704 64.823 62.388 2.435 1
1 811 . 3 1 1 A 81 81 CYS HA H 704 3.687 3.945 -0.258 1
1 812 . 3 1 1 A 81 81 CYS CB C 704 26.491 25.764 0.727 1
1 815 . 3 1 1 A 82 82 GLU N N 705 118.931 120.179 -1.248 1
1 816 . 3 1 1 A 82 82 GLU H H 705 8.286 8.134 0.152 1
1 817 . 3 1 1 A 82 82 GLU CA C 705 59.887 59.334 0.553 1
1 818 . 3 1 1 A 82 82 GLU HA H 705 3.589 4.039 -0.450 1
1 819 . 3 1 1 A 82 82 GLU CB C 705 29.067 29.211 -0.144 1
1 825 . 3 1 1 A 83 83 ARG N N 706 119.029 119.377 -0.348 1
1 826 . 3 1 1 A 83 83 ARG H H 706 7.931 7.644 0.287 1
1 827 . 3 1 1 A 83 83 ARG CA C 706 60.133 58.510 1.623 1
1 828 . 3 1 1 A 83 83 ARG HA H 706 3.748 4.105 -0.357 1
1 829 . 3 1 1 A 83 83 ARG CB C 706 30.197 30.068 0.129 1
1 838 . 3 1 1 A 84 84 VAL N N 707 119.247 119.742 -0.495 1
1 839 . 3 1 1 A 84 84 VAL H H 707 7.762 7.282 0.480 1
1 840 . 3 1 1 A 84 84 VAL CA C 707 67.133 65.565 1.568 1
1 841 . 3 1 1 A 84 84 VAL HA H 707 3.562 4.043 -0.481 1
1 842 . 3 1 1 A 84 84 VAL CB C 707 31.857 31.773 0.084 1
1 852 . 3 1 1 A 85 85 LEU N N 708 119.414 122.466 -3.052 1
1 853 . 3 1 1 A 85 85 LEU H H 708 8.844 8.715 0.129 1
1 854 . 3 1 1 A 85 85 LEU CA C 708 57.561 58.095 -0.534 1
1 855 . 3 1 1 A 85 85 LEU HA H 708 4.366 4.316 0.050 1
1 856 . 3 1 1 A 85 85 LEU CB C 708 41.320 42.069 -0.749 1
1 869 . 3 1 1 A 86 86 LEU N N 709 120.156 119.997 0.159 1
1 870 . 3 1 1 A 86 86 LEU H H 709 9.044 7.866 1.178 1
1 871 . 3 1 1 A 86 86 LEU CA C 709 57.977 58.105 -0.128 1
1 872 . 3 1 1 A 86 86 LEU HA H 709 4.382 4.290 0.092 1
1 873 . 3 1 1 A 86 86 LEU CB C 709 41.069 41.666 -0.597 1
1 886 . 3 1 1 A 87 87 ALA N N 710 121.264 121.437 -0.173 1
1 887 . 3 1 1 A 87 87 ALA H H 710 8.136 8.376 -0.240 1
1 888 . 3 1 1 A 87 87 ALA CA C 710 55.439 55.579 -0.140 1
1 889 . 3 1 1 A 87 87 ALA HA H 710 4.217 4.563 -0.346 1
1 890 . 3 1 1 A 87 87 ALA CB C 710 17.525 18.969 -1.444 1
1 894 . 3 1 1 A 88 88 LEU N N 711 117.148 118.930 -1.782 1
1 895 . 3 1 1 A 88 88 LEU H H 711 8.158 8.845 -0.687 1
1 896 . 3 1 1 A 88 88 LEU CA C 711 58.688 57.742 0.946 1
1 897 . 3 1 1 A 88 88 LEU HA H 711 4.401 3.831 0.570 1
1 898 . 3 1 1 A 88 88 LEU CB C 711 41.534 41.961 -0.427 1
1 911 . 3 1 1 A 89 89 PHE N N 712 117.048 117.241 -0.193 1
1 912 . 3 1 1 A 89 89 PHE H H 712 8.536 9.378 -0.842 1
1 913 . 3 1 1 A 89 89 PHE CA C 712 62.732 61.177 1.555 1
1 914 . 3 1 1 A 89 89 PHE HA H 712 3.971 4.242 -0.271 1
1 915 . 3 1 1 A 89 89 PHE CB C 712 40.351 39.018 1.333 1
1 922 . 3 1 1 A 90 90 CYS N N 713 111.682 117.133 -5.451 1
1 923 . 3 1 1 A 90 90 CYS H H 713 7.689 8.934 -1.245 1
1 924 . 3 1 1 A 90 90 CYS CA C 713 60.573 62.148 -1.575 1
1 925 . 3 1 1 A 90 90 CYS HA H 713 4.614 4.345 0.269 1
1 926 . 3 1 1 A 90 90 CYS CB C 713 28.820 27.471 1.349 1
1 929 . 3 1 1 A 91 91 HIS N N 714 123.036 117.354 5.682 1
1 930 . 3 1 1 A 91 91 HIS H H 714 7.517 7.994 -0.477 1
1 931 . 3 1 1 A 91 91 HIS CA C 714 54.945 54.639 0.306 1
1 932 . 3 1 1 A 91 91 HIS HA H 714 4.939 4.576 0.363 1
1 933 . 3 1 1 A 91 91 HIS CB C 714 31.433 31.851 -0.418 1
1 940 . 3 1 1 A 92 92 GLU CA C 715 61.506 60.811 0.695 1
1 941 . 3 1 1 A 92 92 GLU HA H 715 4.052 3.998 0.054 1
1 942 . 3 1 1 A 92 92 GLU CB C 715 26.765 29.289 -2.524 1
1 947 . 3 1 1 A 93 93 PRO CA C 716 65.272 66.385 -1.113 1
1 948 . 3 1 1 A 93 93 PRO HA H 716 4.294 4.355 -0.061 1
1 949 . 3 1 1 A 93 93 PRO CB C 716 31.486 31.125 0.361 1
1 958 . 3 1 1 A 94 94 CYS N N 717 110.309 116.017 -5.708 1
1 959 . 3 1 1 A 94 94 CYS H H 717 7.667 8.562 -0.895 1
1 960 . 3 1 1 A 94 94 CYS CA C 717 58.484 62.254 -3.770 1
1 961 . 3 1 1 A 94 94 CYS HA H 717 4.406 4.381 0.025 1
1 962 . 3 1 1 A 94 94 CYS CB C 717 28.612 27.592 1.020 1
1 965 . 3 1 1 A 95 95 ARG N N 718 122.655 120.110 2.545 1
1 966 . 3 1 1 A 95 95 ARG H H 718 7.928 8.489 -0.561 1
1 967 . 3 1 1 A 95 95 ARG CA C 718 60.829 60.309 0.520 1
1 968 . 3 1 1 A 95 95 ARG HA H 718 3.740 2.713 1.027 1
1 969 . 3 1 1 A 95 95 ARG CB C 718 28.131 29.281 -1.150 1
1 977 . 3 1 1 A 96 96 PRO CA C 719 65.328 66.000 -0.672 1
1 978 . 3 1 1 A 96 96 PRO HA H 719 4.456 4.034 0.422 1
1 979 . 3 1 1 A 96 96 PRO CB C 719 31.665 30.108 1.557 1
1 987 . 3 1 1 A 97 97 LEU N N 720 112.429 117.472 -5.043 1
1 988 . 3 1 1 A 97 97 LEU H H 720 7.720 7.045 0.675 1
1 989 . 3 1 1 A 97 97 LEU CA C 720 54.707 57.349 -2.642 1
1 990 . 3 1 1 A 97 97 LEU HA H 720 4.228 3.804 0.424 1
1 991 . 3 1 1 A 97 97 LEU CB C 720 40.391 41.788 -1.397 1
1 1004 . 3 1 1 A 98 98 HIS N N 721 118.891 117.157 1.734 1
1 1005 . 3 1 1 A 98 98 HIS H H 721 7.964 8.712 -0.748 1
1 1006 . 3 1 1 A 98 98 HIS CA C 721 60.901 58.259 2.642 1
1 1007 . 3 1 1 A 98 98 HIS HA H 721 4.190 3.892 0.298 1
1 1008 . 3 1 1 A 98 98 HIS CB C 721 31.678 29.661 2.017 1
1 1015 . 3 1 1 A 99 99 GLN N N 722 116.787 116.292 0.495 1
1 1016 . 3 1 1 A 99 99 GLN H H 722 8.090 7.602 0.488 1
1 1017 . 3 1 1 A 99 99 GLN CA C 722 55.180 54.760 0.420 1
1 1018 . 3 1 1 A 99 99 GLN HA H 722 4.808 4.565 0.243 1
1 1019 . 3 1 1 A 99 99 GLN CB C 722 30.690 29.597 1.093 1
1 1024 . 3 1 1 A 100 100 LEU H H 723 9.277 8.478 0.799 1
1 1025 . 3 1 1 A 100 100 LEU CA C 723 55.397 55.946 -0.549 1
1 1026 . 3 1 1 A 100 100 LEU HA H 723 4.566 4.318 0.248 1
1 1027 . 3 1 1 A 100 100 LEU CB C 723 43.862 43.229 0.633 1
1 1040 . 3 1 1 A 101 101 ALA N N 724 123.211 120.844 2.367 1
1 1041 . 3 1 1 A 101 101 ALA H H 724 8.577 7.425 1.152 1
1 1042 . 3 1 1 A 101 101 ALA CA C 724 52.591 52.853 -0.262 1
1 1043 . 3 1 1 A 101 101 ALA HA H 724 4.392 4.279 0.113 1
1 1044 . 3 1 1 A 101 101 ALA CB C 724 19.262 19.510 -0.248 1
1 1048 . 3 1 1 A 102 102 THR N N 725 112.189 110.922 1.267 1
1 1049 . 3 1 1 A 102 102 THR H H 725 8.069 8.064 0.005 1
1 1050 . 3 1 1 A 102 102 THR CA C 725 61.802 63.382 -1.580 1
1 1051 . 3 1 1 A 102 102 THR HA H 725 4.366 3.973 0.393 1
1 1052 . 3 1 1 A 102 102 THR CB C 725 69.684 66.666 3.018 1
1 1058 . 3 1 1 A 103 103 ASP N N 726 121.846 123.513 -1.667 1
1 1059 . 3 1 1 A 103 103 ASP H H 726 8.195 7.865 0.330 1
1 1060 . 3 1 1 A 103 103 ASP CA C 726 54.057 53.930 0.127 1
1 1061 . 3 1 1 A 103 103 ASP HA H 726 4.681 4.536 0.145 1
1 1062 . 3 1 1 A 103 103 ASP CB C 726 41.228 40.924 0.304 1
1 1064 . 3 1 1 A 104 104 SER N N 727 116.230 120.053 -3.823 1
1 1065 . 3 1 1 A 104 104 SER H H 727 8.260 8.742 -0.482 1
1 1066 . 3 1 1 A 104 104 SER CA C 727 58.945 59.022 -0.077 1
1 1067 . 3 1 1 A 104 104 SER HA H 727 4.468 4.405 0.063 1
1 1068 . 3 1 1 A 104 104 SER CB C 727 63.856 63.753 0.103 1
1 1070 . 3 1 1 A 105 105 THR N N 728 115.362 111.498 3.864 1
1 1071 . 3 1 1 A 105 105 THR H H 728 8.205 7.774 0.431 1
1 1072 . 3 1 1 A 105 105 THR CA C 728 62.744 61.591 1.153 1
1 1073 . 3 1 1 A 105 105 THR HA H 728 4.238 4.226 0.012 1
1 1074 . 3 1 1 A 105 105 THR CB C 728 69.490 68.581 0.909 1
1 1080 . 3 1 1 A 106 106 PHE N N 729 121.735 119.704 2.031 1
1 1081 . 3 1 1 A 106 106 PHE H H 729 8.047 7.636 0.411 1
1 1082 . 3 1 1 A 106 106 PHE CA C 729 57.966 57.028 0.938 1
1 1083 . 3 1 1 A 106 106 PHE HA H 729 4.626 4.716 -0.090 1
1 1084 . 3 1 1 A 106 106 PHE CB C 729 39.633 41.104 -1.471 1
1 1090 . 3 1 1 A 107 107 SER N N 730 116.751 115.259 1.492 1
1 1091 . 3 1 1 A 107 107 SER H H 730 7.962 7.904 0.058 1
1 1092 . 3 1 1 A 107 107 SER CA C 730 57.921 60.046 -2.125 1
1 1093 . 3 1 1 A 107 107 SER HA H 730 4.413 4.413 0.000 1
1 1094 . 3 1 1 A 107 107 SER CB C 730 63.659 63.001 0.658 1
1 1097 . 3 1 1 A 108 108 LEU N N 731 123.373 118.574 4.799 1
1 1098 . 3 1 1 A 108 108 LEU H H 731 8.212 8.455 -0.243 1
1 1099 . 3 1 1 A 108 108 LEU CA C 731 55.650 57.923 -2.273 1
1 1100 . 3 1 1 A 108 108 LEU HA H 731 4.265 4.043 0.222 1
1 1101 . 3 1 1 A 108 108 LEU CB C 731 42.257 41.334 0.923 1
1 1113 . 3 1 1 A 109 109 ASP N N 732 118.496 118.743 -0.247 1
1 1114 . 3 1 1 A 109 109 ASP H H 732 8.172 7.985 0.187 1
1 1115 . 3 1 1 A 109 109 ASP CA C 732 54.239 52.746 1.493 1
1 1116 . 3 1 1 A 109 109 ASP HA H 732 4.566 4.782 -0.216 1
1 1117 . 3 1 1 A 109 109 ASP CB C 732 41.124 40.855 0.269 1
1 1120 . 3 1 1 A 110 110 GLN N N 733 119.403 120.503 -1.100 1
1 1121 . 3 1 1 A 110 110 GLN H H 733 7.707 7.374 0.333 1
1 1122 . 3 1 1 A 110 110 GLN CA C 733 53.251 54.684 -1.433 1
1 1123 . 3 1 1 A 110 110 GLN HA H 733 4.675 4.587 0.088 1
1 1124 . 3 1 1 A 110 110 GLN CB C 733 29.061 28.079 0.982 1
1 1129 . 3 1 1 A 111 111 PRO CA C 734 63.869 63.923 -0.054 1
1 1130 . 3 1 1 A 111 111 PRO HA H 734 4.435 4.519 -0.084 1
1 1131 . 3 1 1 A 111 111 PRO CB C 734 31.900 31.559 0.341 1
1 1139 . 3 1 1 A 112 112 GLY N N 735 109.783 107.253 2.530 1
1 1140 . 3 1 1 A 112 112 GLY H H 735 8.510 7.730 0.780 1
1 1141 . 3 1 1 A 112 112 GLY CA C 735 44.954 45.405 -0.451 1
1 1142 . 3 1 1 A 112 112 GLY HA3 H 735 3.903 4.008 -0.105 1
1 1143 . 3 1 1 A 112 112 GLY HA2 H 735 3.994 4.005 -0.011 1
1 1144 . 3 1 1 A 113 113 GLY N N 736 108.485 108.274 0.211 1
1 1145 . 3 1 1 A 113 113 GLY H H 736 8.138 7.595 0.543 1
1 1146 . 3 1 1 A 113 113 GLY CA C 736 44.755 44.861 -0.106 1
1 1147 . 3 1 1 A 113 113 GLY HA3 H 736 3.899 4.059 -0.160 1
1 1148 . 3 1 1 A 113 113 GLY HA2 H 736 3.964 4.055 -0.091 1
1 1149 . 3 1 1 A 114 114 THR N N 737 116.361 112.739 3.622 1
1 1150 . 3 1 1 A 114 114 THR H H 737 7.951 8.400 -0.449 1
1 1151 . 3 1 1 A 114 114 THR CA C 737 62.508 62.288 0.220 1
1 1152 . 3 1 1 A 114 114 THR HA H 737 4.189 4.533 -0.344 1
1 1153 . 3 1 1 A 114 114 THR CB C 737 69.780 71.404 -1.624 1
1 1159 . 3 1 1 A 115 115 LEU N N 738 125.899 120.811 5.088 1
1 1160 . 3 1 1 A 115 115 LEU H H 738 8.575 8.002 0.573 1
1 1161 . 3 1 1 A 115 115 LEU CA C 738 54.534 56.754 -2.220 1
1 1162 . 3 1 1 A 115 115 LEU HA H 738 4.452 4.370 0.082 1
1 1163 . 3 1 1 A 115 115 LEU CB C 738 45.506 40.931 4.575 1
1 1176 . 3 1 1 A 116 116 ASP N N 739 115.416 120.253 -4.837 1
1 1177 . 3 1 1 A 116 116 ASP H H 739 6.819 8.482 -1.663 1
1 1178 . 3 1 1 A 116 116 ASP CA C 739 52.606 53.337 -0.731 1
1 1179 . 3 1 1 A 116 116 ASP HA H 739 4.472 4.838 -0.366 1
1 1180 . 3 1 1 A 116 116 ASP CB C 739 42.811 42.425 0.386 1
1 1183 . 3 1 1 A 117 117 LEU N N 740 115.281 120.275 -4.994 1
1 1184 . 3 1 1 A 117 117 LEU H H 740 8.213 8.850 -0.637 1
1 1185 . 3 1 1 A 117 117 LEU CA C 740 57.750 57.854 -0.104 1
1 1186 . 3 1 1 A 117 117 LEU HA H 740 3.841 3.944 -0.103 1
1 1187 . 3 1 1 A 117 117 LEU CB C 740 42.005 41.084 0.921 1
1 1200 . 3 1 1 A 118 118 THR N N 741 116.995 109.900 7.095 1
1 1201 . 3 1 1 A 118 118 THR H H 741 8.152 8.233 -0.081 1
1 1202 . 3 1 1 A 118 118 THR CA C 741 68.068 65.659 2.409 1
1 1203 . 3 1 1 A 118 118 THR HA H 741 4.054 4.239 -0.185 1
1 1204 . 3 1 1 A 118 118 THR CB C 741 68.392 68.482 -0.090 1
1 1210 . 3 1 1 A 119 119 LEU N N 742 127.180 123.686 3.494 1
1 1211 . 3 1 1 A 119 119 LEU H H 742 8.804 8.090 0.714 1
1 1212 . 3 1 1 A 119 119 LEU CA C 742 58.460 58.260 0.200 1
1 1213 . 3 1 1 A 119 119 LEU HA H 742 4.214 4.015 0.199 1
1 1214 . 3 1 1 A 119 119 LEU CB C 742 42.491 41.942 0.549 1
1 1227 . 3 1 1 A 120 120 ILE N N 743 120.880 119.448 1.432 1
1 1228 . 3 1 1 A 120 120 ILE H H 743 7.884 8.055 -0.171 1
1 1229 . 3 1 1 A 120 120 ILE CA C 743 65.546 64.203 1.343 1
1 1230 . 3 1 1 A 120 120 ILE HA H 743 4.101 3.962 0.139 1
1 1231 . 3 1 1 A 120 120 ILE CB C 743 38.693 36.981 1.712 1
1 1244 . 3 1 1 A 121 121 ARG N N 744 119.772 123.412 -3.640 1
1 1245 . 3 1 1 A 121 121 ARG H H 744 8.792 8.369 0.423 1
1 1246 . 3 1 1 A 121 121 ARG CA C 744 60.369 58.984 1.385 1
1 1247 . 3 1 1 A 121 121 ARG HA H 744 3.896 4.192 -0.296 1
1 1248 . 3 1 1 A 121 121 ARG CB C 744 30.241 29.994 0.247 1
1 1257 . 3 1 1 A 122 122 ALA N N 745 120.978 121.886 -0.908 1
1 1258 . 3 1 1 A 122 122 ALA H H 745 8.303 8.281 0.022 1
1 1259 . 3 1 1 A 122 122 ALA CA C 745 55.203 55.097 0.106 1
1 1260 . 3 1 1 A 122 122 ALA HA H 745 4.246 3.990 0.256 1
1 1261 . 3 1 1 A 122 122 ALA CB C 745 18.005 18.226 -0.221 1
1 1265 . 3 1 1 A 123 123 ARG N N 746 119.408 118.658 0.750 1
1 1266 . 3 1 1 A 123 123 ARG H H 746 8.224 7.756 0.468 1
1 1267 . 3 1 1 A 123 123 ARG CA C 746 59.895 58.999 0.896 1
1 1268 . 3 1 1 A 123 123 ARG HA H 746 4.335 3.833 0.502 1
1 1269 . 3 1 1 A 123 123 ARG CB C 746 29.768 29.255 0.513 1
1 1279 . 3 1 1 A 124 124 LEU N N 747 125.115 120.015 5.100 1
1 1280 . 3 1 1 A 124 124 LEU H H 747 9.029 8.086 0.943 1
1 1281 . 3 1 1 A 124 124 LEU CA C 747 57.559 57.581 -0.022 1
1 1282 . 3 1 1 A 124 124 LEU HA H 747 4.925 4.047 0.878 1
1 1283 . 3 1 1 A 124 124 LEU CB C 747 42.721 42.181 0.540 1
1 1296 . 3 1 1 A 125 125 GLN N N 748 114.117 118.198 -4.081 1
1 1297 . 3 1 1 A 125 125 GLN H H 748 8.418 7.600 0.818 1
1 1298 . 3 1 1 A 125 125 GLN CA C 748 55.664 57.765 -2.101 1
1 1299 . 3 1 1 A 125 125 GLN HA H 748 4.444 4.229 0.215 1
1 1300 . 3 1 1 A 125 125 GLN CB C 748 29.301 29.232 0.069 1
1 1309 . 3 1 1 A 126 126 GLU N N 749 113.381 117.629 -4.248 1
1 1310 . 3 1 1 A 126 126 GLU H H 749 7.978 8.435 -0.457 1
1 1311 . 3 1 1 A 126 126 GLU CA C 749 57.789 57.927 -0.138 1
1 1312 . 3 1 1 A 126 126 GLU HA H 749 4.156 4.374 -0.218 1
1 1313 . 3 1 1 A 126 126 GLU CB C 749 25.906 29.818 -3.912 1
1 1318 . 3 1 1 A 127 127 LYS N N 750 116.557 120.345 -3.788 1
1 1319 . 3 1 1 A 127 127 LYS H H 750 8.538 8.258 0.280 1
1 1320 . 3 1 1 A 127 127 LYS CA C 750 56.417 58.801 -2.384 1
1 1321 . 3 1 1 A 127 127 LYS HA H 750 4.344 4.064 0.280 1
1 1322 . 3 1 1 A 127 127 LYS CB C 750 33.029 32.178 0.851 1
1 1332 . 3 1 1 A 128 128 LEU N N 751 119.986 121.544 -1.558 1
1 1333 . 3 1 1 A 128 128 LEU H H 751 6.949 7.885 -0.936 1
1 1334 . 3 1 1 A 128 128 LEU CA C 751 53.476 53.411 0.065 1
1 1335 . 3 1 1 A 128 128 LEU HA H 751 4.532 4.345 0.187 1
1 1336 . 3 1 1 A 128 128 LEU CB C 751 45.503 43.384 2.119 1
1 1349 . 3 1 1 A 129 129 SER N N 752 118.455 116.236 2.219 1
1 1350 . 3 1 1 A 129 129 SER H H 752 8.225 8.314 -0.089 1
1 1351 . 3 1 1 A 129 129 SER CA C 752 56.129 60.161 -4.032 1
1 1352 . 3 1 1 A 129 129 SER HA H 752 4.434 4.626 -0.192 1
1 1353 . 3 1 1 A 129 129 SER CB C 752 63.911 64.890 -0.979 1
1 1356 . 3 1 1 A 130 130 PRO CA C 753 61.355 61.933 -0.578 1
1 1357 . 3 1 1 A 130 130 PRO HA H 753 5.026 4.578 0.448 1
1 1358 . 3 1 1 A 130 130 PRO CB C 753 32.831 32.982 -0.151 1
1 1366 . 3 1 1 A 131 131 PRO CA C 754 62.470 63.799 -1.329 1
1 1367 . 3 1 1 A 131 131 PRO HA H 754 4.651 4.529 0.122 1
1 1368 . 3 1 1 A 131 131 PRO CB C 754 32.403 32.312 0.091 1
1 1377 . 3 1 1 A 132 132 TYR N N 755 121.321 116.455 4.866 1
1 1378 . 3 1 1 A 132 132 TYR H H 755 9.635 8.568 1.067 1
1 1379 . 3 1 1 A 132 132 TYR CA C 755 60.382 60.874 -0.492 1
1 1380 . 3 1 1 A 132 132 TYR HA H 755 4.433 4.262 0.171 1
1 1381 . 3 1 1 A 132 132 TYR CB C 755 38.713 37.302 1.411 1
1 1388 . 3 1 1 A 133 133 SER N N 756 114.917 115.078 -0.161 1
1 1389 . 3 1 1 A 133 133 SER H H 756 9.343 8.643 0.700 1
1 1390 . 3 1 1 A 133 133 SER CA C 756 58.776 59.489 -0.713 1
1 1391 . 3 1 1 A 133 133 SER HA H 756 4.430 4.266 0.164 1
1 1392 . 3 1 1 A 133 133 SER CB C 756 64.839 61.035 3.804 1
1 1394 . 3 1 1 A 134 134 SER N N 757 112.021 113.016 -0.995 1
1 1395 . 3 1 1 A 134 134 SER H H 757 7.500 7.560 -0.060 1
1 1396 . 3 1 1 A 134 134 SER CA C 757 56.158 55.719 0.439 1
1 1397 . 3 1 1 A 134 134 SER HA H 757 4.950 4.834 0.116 1
1 1398 . 3 1 1 A 134 134 SER CB C 757 63.906 65.554 -1.648 1
1 1401 . 3 1 1 A 135 135 PRO CA C 758 64.159 64.927 -0.768 1
1 1402 . 3 1 1 A 135 135 PRO HA H 758 4.132 4.718 -0.586 1
1 1403 . 3 1 1 A 135 135 PRO CB C 758 31.649 31.539 0.110 1
1 1412 . 3 1 1 A 136 136 GLN N N 759 116.382 117.405 -1.023 1
1 1413 . 3 1 1 A 136 136 GLN H H 759 8.067 8.163 -0.096 1
1 1414 . 3 1 1 A 136 136 GLN CA C 759 59.483 58.592 0.891 1
1 1415 . 3 1 1 A 136 136 GLN HA H 759 3.963 4.234 -0.271 1
1 1416 . 3 1 1 A 136 136 GLN CB C 759 27.414 28.217 -0.803 1
1 1425 . 3 1 1 A 137 137 GLU N N 760 121.764 119.119 2.645 1
1 1426 . 3 1 1 A 137 137 GLU H H 760 7.826 8.447 -0.621 1
1 1427 . 3 1 1 A 137 137 GLU CA C 760 59.184 59.190 -0.006 1
1 1428 . 3 1 1 A 137 137 GLU HA H 760 4.063 3.903 0.160 1
1 1429 . 3 1 1 A 137 137 GLU CB C 760 30.403 29.264 1.139 1
1 1435 . 3 1 1 A 138 138 PHE N N 761 120.582 120.652 -0.070 1
1 1436 . 3 1 1 A 138 138 PHE H H 761 6.900 8.280 -1.380 1
1 1437 . 3 1 1 A 138 138 PHE CA C 761 60.105 61.659 -1.554 1
1 1438 . 3 1 1 A 138 138 PHE HA H 761 3.604 4.826 -1.222 1
1 1439 . 3 1 1 A 138 138 PHE CB C 761 38.271 39.461 -1.190 1
1 1448 . 3 1 1 A 139 139 ALA N N 762 120.917 121.823 -0.906 1
1 1449 . 3 1 1 A 139 139 ALA H H 762 8.399 8.807 -0.408 1
1 1450 . 3 1 1 A 139 139 ALA CA C 762 54.940 55.111 -0.171 1
1 1451 . 3 1 1 A 139 139 ALA HA H 762 3.804 4.908 -1.104 1
1 1452 . 3 1 1 A 139 139 ALA CB C 762 18.001 18.734 -0.733 1
1 1456 . 3 1 1 A 140 140 GLN N N 763 119.041 117.416 1.625 1
1 1457 . 3 1 1 A 140 140 GLN H H 763 8.436 7.830 0.606 1
1 1458 . 3 1 1 A 140 140 GLN CA C 763 58.474 58.153 0.321 1
1 1459 . 3 1 1 A 140 140 GLN HA H 763 4.056 4.135 -0.079 1
1 1460 . 3 1 1 A 140 140 GLN CB C 763 28.345 28.301 0.044 1
1 1469 . 3 1 1 A 141 141 ASP N N 764 122.985 118.719 4.266 1
1 1470 . 3 1 1 A 141 141 ASP H H 764 7.694 8.491 -0.797 1
1 1471 . 3 1 1 A 141 141 ASP CA C 764 57.087 56.707 0.380 1
1 1472 . 3 1 1 A 141 141 ASP HA H 764 4.517 4.240 0.277 1
1 1473 . 3 1 1 A 141 141 ASP CB C 764 39.897 39.598 0.299 1
1 1476 . 3 1 1 A 142 142 VAL N N 765 119.630 120.929 -1.299 1
1 1477 . 3 1 1 A 142 142 VAL H H 765 7.431 8.065 -0.634 1
1 1478 . 3 1 1 A 142 142 VAL CA C 765 66.489 66.071 0.418 1
1 1479 . 3 1 1 A 142 142 VAL HA H 765 2.740 3.245 -0.505 1
1 1480 . 3 1 1 A 142 142 VAL CB C 765 30.729 31.167 -0.438 1
1 1490 . 3 1 1 A 143 143 GLY N N 766 104.089 107.441 -3.352 1
1 1491 . 3 1 1 A 143 143 GLY H H 766 8.089 8.348 -0.259 1
1 1492 . 3 1 1 A 143 143 GLY CA C 766 47.271 46.711 0.560 1
1 1493 . 3 1 1 A 143 143 GLY HA3 H 766 3.783 3.846 -0.063 1
1 1494 . 3 1 1 A 143 143 GLY HA2 H 766 3.870 3.780 0.090 1
1 1495 . 3 1 1 A 144 144 ARG N N 767 123.406 122.125 1.281 1
1 1496 . 3 1 1 A 144 144 ARG H H 767 8.270 7.666 0.604 1
1 1497 . 3 1 1 A 144 144 ARG CA C 767 59.627 59.102 0.525 1
1 1498 . 3 1 1 A 144 144 ARG HA H 767 4.026 4.088 -0.062 1
1 1499 . 3 1 1 A 144 144 ARG CB C 767 30.003 30.202 -0.199 1
1 1507 . 3 1 1 A 145 145 MET N N 768 121.310 119.338 1.972 1
1 1508 . 3 1 1 A 145 145 MET H H 768 8.053 8.157 -0.104 1
1 1509 . 3 1 1 A 145 145 MET CA C 768 58.727 58.561 0.166 1
1 1510 . 3 1 1 A 145 145 MET HA H 768 3.932 4.044 -0.112 1
1 1511 . 3 1 1 A 145 145 MET CB C 768 31.536 32.508 -0.972 1
1 1521 . 3 1 1 A 146 146 PHE N N 769 117.125 118.516 -1.391 1
1 1522 . 3 1 1 A 146 146 PHE H H 769 8.005 8.436 -0.431 1
1 1523 . 3 1 1 A 146 146 PHE CA C 769 59.441 61.322 -1.881 1
1 1524 . 3 1 1 A 146 146 PHE HA H 769 4.582 4.263 0.319 1
1 1525 . 3 1 1 A 146 146 PHE CB C 769 37.558 38.586 -1.028 1
1 1534 . 3 1 1 A 147 147 LYS N N 770 119.226 118.469 0.757 1
1 1535 . 3 1 1 A 147 147 LYS H H 770 8.078 8.058 0.020 1
1 1536 . 3 1 1 A 147 147 LYS CA C 770 59.479 59.758 -0.279 1
1 1537 . 3 1 1 A 147 147 LYS HA H 770 4.153 3.939 0.214 1
1 1538 . 3 1 1 A 147 147 LYS CB C 770 32.336 32.229 0.107 1
1 1547 . 3 1 1 A 148 148 GLN N N 771 118.870 118.068 0.802 1
1 1548 . 3 1 1 A 148 148 GLN H H 771 8.338 8.370 -0.032 1
1 1549 . 3 1 1 A 148 148 GLN CA C 771 58.440 58.724 -0.284 1
1 1550 . 3 1 1 A 148 148 GLN HA H 771 4.140 4.133 0.007 1
1 1551 . 3 1 1 A 148 148 GLN CB C 771 28.382 28.279 0.103 1
1 1560 . 3 1 1 A 149 149 PHE N N 772 120.162 121.198 -1.036 1
1 1561 . 3 1 1 A 149 149 PHE H H 772 8.411 8.175 0.236 1
1 1562 . 3 1 1 A 149 149 PHE CA C 772 60.460 61.633 -1.173 1
1 1563 . 3 1 1 A 149 149 PHE HA H 772 4.433 4.148 0.285 1
1 1564 . 3 1 1 A 149 149 PHE CB C 772 39.428 39.266 0.162 1
1 1573 . 3 1 1 A 150 150 ASN N N 773 117.836 116.626 1.210 1
1 1574 . 3 1 1 A 150 150 ASN H H 773 8.279 8.543 -0.264 1
1 1575 . 3 1 1 A 150 150 ASN HA H 773 4.375 4.307 0.068 1
1 1576 . 3 1 1 A 150 150 ASN CB C 773 38.977 38.519 0.458 1
1 1582 . 3 1 1 A 151 151 LYS N N 774 118.045 116.812 1.233 1
1 1583 . 3 1 1 A 151 151 LYS H H 774 7.648 8.043 -0.395 1
1 1584 . 3 1 1 A 151 151 LYS CA C 774 57.563 57.071 0.492 1
1 1585 . 3 1 1 A 151 151 LYS HA H 774 4.225 4.358 -0.133 1
1 1586 . 3 1 1 A 151 151 LYS CB C 774 32.333 33.042 -0.709 1
1 1595 . 3 1 1 A 152 152 LEU N N 775 119.031 117.729 1.302 1
1 1596 . 3 1 1 A 152 152 LEU H H 775 7.825 8.145 -0.320 1
1 1597 . 3 1 1 A 152 152 LEU CA C 775 55.990 54.925 1.065 1
1 1598 . 3 1 1 A 152 152 LEU HA H 775 4.270 4.481 -0.211 1
1 1599 . 3 1 1 A 152 152 LEU CB C 775 42.487 42.404 0.083 1
1 1612 . 3 1 1 A 153 153 THR N N 776 110.107 112.950 -2.843 1
1 1613 . 3 1 1 A 153 153 THR H H 776 7.525 8.568 -1.043 1
1 1614 . 3 1 1 A 153 153 THR CA C 776 61.535 63.114 -1.579 1
1 1615 . 3 1 1 A 153 153 THR HA H 776 4.332 4.416 -0.084 1
1 1616 . 3 1 1 A 153 153 THR CB C 776 69.570 68.432 1.138 1
1 1622 . 3 1 1 A 154 154 GLU N N 777 122.427 123.491 -1.064 1
1 1623 . 3 1 1 A 154 154 GLU H H 777 8.027 8.812 -0.785 1
1 1624 . 3 1 1 A 154 154 GLU CA C 777 57.720 58.947 -1.227 1
1 1625 . 3 1 1 A 154 154 GLU HA H 777 4.216 4.074 0.142 1
1 1626 . 3 1 1 A 154 154 GLU CB C 777 29.977 28.938 1.039 1
1 1631 . 3 1 1 A 155 155 ASP N N 778 119.283 119.896 -0.613 1
1 1632 . 3 1 1 A 155 155 ASP H H 778 8.372 7.416 0.956 1
1 1633 . 3 1 1 A 155 155 ASP CA C 778 54.709 56.287 -1.578 1
1 1634 . 3 1 1 A 155 155 ASP HA H 778 4.602 4.511 0.091 1
1 1635 . 3 1 1 A 155 155 ASP CB C 778 40.600 41.177 -0.577 1
1 1638 . 3 1 1 A 156 156 LYS N N 779 120.684 117.885 2.799 1
1 1639 . 3 1 1 A 156 156 LYS H H 779 8.068 7.669 0.399 1
1 1640 . 3 1 1 A 156 156 LYS CA C 779 56.388 55.285 1.103 1
1 1641 . 3 1 1 A 156 156 LYS HA H 779 4.333 4.462 -0.129 1
1 1642 . 3 1 1 A 156 156 LYS CB C 779 32.814 33.761 -0.947 1
1 1651 . 3 1 1 A 157 157 ALA N N 780 123.182 123.250 -0.068 1
1 1652 . 3 1 1 A 157 157 ALA H H 780 8.197 8.564 -0.367 1
1 1653 . 3 1 1 A 157 157 ALA CA C 780 52.591 54.113 -1.522 1
1 1654 . 3 1 1 A 157 157 ALA HA H 780 4.337 4.215 0.122 1
1 1655 . 3 1 1 A 157 157 ALA CB C 780 19.186 18.957 0.229 1
1 1659 . 3 1 1 A 158 158 ASP N N 781 118.794 113.261 5.533 1
1 1660 . 3 1 1 A 158 158 ASP H H 781 8.222 7.133 1.089 1
1 1661 . 3 1 1 A 158 158 ASP CA C 781 54.003 55.418 -1.415 1
1 1662 . 3 1 1 A 158 158 ASP HA H 781 4.673 4.724 -0.051 1
1 1663 . 3 1 1 A 158 158 ASP CB C 781 41.075 41.970 -0.895 1
1 1666 . 3 1 1 A 159 159 VAL N N 782 120.713 117.779 2.934 1
1 1667 . 3 1 1 A 159 159 VAL H H 782 8.039 8.374 -0.335 1
1 1668 . 3 1 1 A 159 159 VAL CA C 782 63.898 64.554 -0.656 1
1 1669 . 3 1 1 A 159 159 VAL HA H 782 4.028 4.000 0.028 1
1 1670 . 3 1 1 A 159 159 VAL CB C 782 32.181 32.499 -0.318 1
1 1680 . 3 1 1 A 160 160 GLN N N 783 120.756 121.140 -0.384 1
1 1681 . 3 1 1 A 160 160 GLN H H 783 8.370 8.193 0.177 1
1 1682 . 3 1 1 A 160 160 GLN CA C 783 57.563 58.244 -0.681 1
1 1683 . 3 1 1 A 160 160 GLN HA H 783 4.219 4.030 0.189 1
1 1684 . 3 1 1 A 160 160 GLN CB C 783 28.410 28.328 0.082 1
1 1691 . 3 1 1 A 161 161 SER N N 784 116.111 115.159 0.952 1
1 1692 . 3 1 1 A 161 161 SER H H 784 8.190 8.202 -0.012 1
1 1693 . 3 1 1 A 161 161 SER CA C 784 60.089 61.222 -1.133 1
1 1694 . 3 1 1 A 161 161 SER HA H 784 4.361 4.095 0.266 1
1 1695 . 3 1 1 A 161 161 SER CB C 784 62.955 62.461 0.494 1
1 1698 . 3 1 1 A 162 162 ILE N N 785 122.105 121.173 0.932 1
1 1699 . 3 1 1 A 162 162 ILE H H 785 8.014 7.517 0.497 1
1 1700 . 3 1 1 A 162 162 ILE CA C 785 62.963 64.906 -1.943 1
1 1701 . 3 1 1 A 162 162 ILE HA H 785 3.986 3.364 0.622 1
1 1702 . 3 1 1 A 162 162 ILE CB C 785 37.568 37.578 -0.010 1
1 1715 . 3 1 1 A 163 163 ILE N N 786 122.150 120.294 1.856 1
1 1716 . 3 1 1 A 163 163 ILE H H 786 7.913 8.592 -0.679 1
1 1717 . 3 1 1 A 163 163 ILE CA C 786 64.074 64.557 -0.483 1
1 1718 . 3 1 1 A 163 163 ILE HA H 786 3.947 3.548 0.399 1
1 1719 . 3 1 1 A 163 163 ILE CB C 786 37.561 37.524 0.037 1
1 1732 . 3 1 1 A 164 164 GLY N N 787 107.177 108.355 -1.178 1
1 1733 . 3 1 1 A 164 164 GLY H H 787 8.057 8.150 -0.093 1
1 1734 . 3 1 1 A 164 164 GLY CA C 787 46.938 47.191 -0.253 1
1 1735 . 3 1 1 A 164 164 GLY HA3 H 787 3.907 3.702 0.205 1
1 1736 . 3 1 1 A 164 164 GLY HA2 H 787 4.007 3.651 0.356 1
1 1737 . 3 1 1 A 165 165 LEU N N 788 123.590 122.499 1.091 1
1 1738 . 3 1 1 A 165 165 LEU H H 788 7.676 8.027 -0.351 1
1 1739 . 3 1 1 A 165 165 LEU CA C 788 57.738 57.903 -0.165 1
1 1740 . 3 1 1 A 165 165 LEU HA H 788 4.052 3.938 0.114 1
1 1741 . 3 1 1 A 165 165 LEU CB C 788 40.833 41.532 -0.699 1
1 1753 . 3 1 1 A 166 166 GLN N N 789 119.114 116.285 2.829 1
1 1754 . 3 1 1 A 166 166 GLN H H 789 7.956 8.397 -0.441 1
1 1755 . 3 1 1 A 166 166 GLN CA C 789 59.445 59.074 0.371 1
1 1756 . 3 1 1 A 166 166 GLN HA H 789 3.844 3.608 0.236 1
1 1757 . 3 1 1 A 166 166 GLN CB C 789 27.826 28.079 -0.253 1
1 1765 . 3 1 1 A 167 167 ARG N N 790 118.851 119.369 -0.518 1
1 1766 . 3 1 1 A 167 167 ARG H H 790 8.387 8.286 0.101 1
1 1767 . 3 1 1 A 167 167 ARG CA C 790 58.942 59.090 -0.148 1
1 1768 . 3 1 1 A 167 167 ARG HA H 790 4.191 4.089 0.102 1
1 1769 . 3 1 1 A 167 167 ARG CB C 790 29.829 30.556 -0.727 1
1 1776 . 3 1 1 A 168 168 PHE N N 791 122.408 120.808 1.600 1
1 1777 . 3 1 1 A 168 168 PHE H H 791 8.127 8.130 -0.003 1
1 1778 . 3 1 1 A 168 168 PHE CA C 791 61.976 61.260 0.716 1
1 1779 . 3 1 1 A 168 168 PHE HA H 791 4.164 4.259 -0.095 1
1 1780 . 3 1 1 A 168 168 PHE CB C 791 38.894 39.047 -0.153 1
1 1788 . 3 1 1 A 169 169 PHE N N 792 119.223 120.616 -1.393 1
1 1789 . 3 1 1 A 169 169 PHE H H 792 8.500 9.418 -0.918 1
1 1790 . 3 1 1 A 169 169 PHE CA C 792 61.093 62.142 -1.049 1
1 1791 . 3 1 1 A 169 169 PHE HA H 792 4.053 4.419 -0.366 1
1 1792 . 3 1 1 A 169 169 PHE CB C 792 39.182 39.800 -0.618 1
1 1800 . 3 1 1 A 170 170 GLU N N 793 119.089 118.012 1.077 1
1 1801 . 3 1 1 A 170 170 GLU H H 793 8.718 8.284 0.434 1
1 1802 . 3 1 1 A 170 170 GLU CA C 793 59.843 59.057 0.786 1
1 1803 . 3 1 1 A 170 170 GLU HA H 793 3.483 3.478 0.005 1
1 1804 . 3 1 1 A 170 170 GLU CB C 793 29.372 29.321 0.051 1
1 1810 . 3 1 1 A 171 171 THR N N 794 115.081 117.036 -1.955 1
1 1811 . 3 1 1 A 171 171 THR H H 794 8.205 7.831 0.374 1
1 1812 . 3 1 1 A 171 171 THR CA C 794 66.661 66.227 0.434 1
1 1813 . 3 1 1 A 171 171 THR HA H 794 3.935 3.632 0.303 1
1 1814 . 3 1 1 A 171 171 THR CB C 794 68.604 67.996 0.608 1
1 1820 . 3 1 1 A 172 172 ARG N N 795 120.165 119.559 0.606 1
1 1821 . 3 1 1 A 172 172 ARG H H 795 7.776 7.097 0.679 1
1 1822 . 3 1 1 A 172 172 ARG CA C 795 57.535 58.170 -0.635 1
1 1823 . 3 1 1 A 172 172 ARG HA H 795 4.030 4.201 -0.171 1
1 1824 . 3 1 1 A 172 172 ARG CB C 795 29.886 29.925 -0.039 1
1 1828 . 3 1 1 A 173 173 MET N N 796 120.347 119.282 1.065 1
1 1829 . 3 1 1 A 173 173 MET H H 796 8.503 7.705 0.798 1
1 1830 . 3 1 1 A 173 173 MET CA C 796 57.453 57.161 0.292 1
1 1831 . 3 1 1 A 173 173 MET HA H 796 4.383 3.851 0.532 1
1 1832 . 3 1 1 A 173 173 MET CB C 796 30.469 32.116 -1.647 1
1 1840 . 3 1 1 A 174 174 ASN N N 797 119.200 117.578 1.622 1
1 1841 . 3 1 1 A 174 174 ASN H H 797 8.351 7.719 0.632 1
1 1842 . 3 1 1 A 174 174 ASN CA C 797 55.851 55.232 0.619 1
1 1843 . 3 1 1 A 174 174 ASN HA H 797 4.510 4.460 0.050 1
1 1844 . 3 1 1 A 174 174 ASN CB C 797 38.213 38.895 -0.682 1
1 1850 . 3 1 1 A 175 175 GLU N N 798 119.589 118.757 0.832 1
1 1851 . 3 1 1 A 175 175 GLU H H 798 7.896 8.319 -0.423 1
1 1852 . 3 1 1 A 175 175 GLU CA C 798 59.033 58.510 0.523 1
1 1853 . 3 1 1 A 175 175 GLU HA H 798 3.967 4.174 -0.207 1
1 1854 . 3 1 1 A 175 175 GLU CB C 798 29.296 29.576 -0.280 1
1 1860 . 3 1 1 A 176 176 ALA N N 799 116.937 121.995 -5.058 1
1 1861 . 3 1 1 A 176 176 ALA H H 799 8.030 7.499 0.531 1
1 1862 . 3 1 1 A 176 176 ALA CA C 799 54.179 53.935 0.244 1
1 1863 . 3 1 1 A 176 176 ALA HA H 799 4.085 4.282 -0.197 1
1 1864 . 3 1 1 A 176 176 ALA CB C 799 19.432 19.592 -0.160 1
1 1868 . 3 1 1 A 177 177 PHE N N 800 112.840 112.525 0.315 1
1 1869 . 3 1 1 A 177 177 PHE H H 800 8.544 6.978 1.566 1
1 1870 . 3 1 1 A 177 177 PHE CA C 800 59.182 57.408 1.774 1
1 1871 . 3 1 1 A 177 177 PHE HA H 800 4.515 4.716 -0.201 1
1 1872 . 3 1 1 A 177 177 PHE CB C 800 39.642 40.786 -1.144 1
1 1881 . 3 1 1 A 178 178 GLY N N 801 110.339 108.504 1.835 1
1 1882 . 3 1 1 A 178 178 GLY H H 801 7.974 7.859 0.115 1
1 1883 . 3 1 1 A 178 178 GLY CA C 801 45.607 46.949 -1.342 1
1 1884 . 3 1 1 A 178 178 GLY HA3 H 801 3.988 3.652 0.336 1
1 1885 . 3 1 1 A 178 178 GLY HA2 H 801 4.031 3.527 0.504 1
1 1886 . 3 1 1 A 179 179 ASP N N 802 119.627 121.308 -1.681 1
1 1887 . 3 1 1 A 179 179 ASP H H 802 8.185 8.055 0.130 1
1 1888 . 3 1 1 A 179 179 ASP CA C 802 53.949 53.271 0.678 1
1 1889 . 3 1 1 A 179 179 ASP HA H 802 4.679 4.906 -0.227 1
1 1890 . 3 1 1 A 179 179 ASP CB C 802 41.070 43.066 -1.996 1
1 1892 . 3 1 1 A 180 180 THR N N 803 113.769 113.908 -0.139 1
1 1893 . 3 1 1 A 180 180 THR H H 803 8.037 8.115 -0.078 1
1 1894 . 3 1 1 A 180 180 THR CA C 803 61.885 63.292 -1.407 1
1 1895 . 3 1 1 A 180 180 THR HA H 803 4.331 4.195 0.136 1
1 1896 . 3 1 1 A 180 180 THR CB C 803 70.002 66.844 3.158 1
1 1902 . 3 1 1 A 181 181 LYS N N 804 122.277 123.405 -1.128 1
1 1903 . 3 1 1 A 181 181 LYS H H 804 8.198 7.852 0.346 1
1 1904 . 3 1 1 A 181 181 LYS CA C 804 56.652 59.087 -2.435 1
1 1905 . 3 1 1 A 181 181 LYS HA H 804 4.151 4.050 0.101 1
1 1906 . 3 1 1 A 181 181 LYS CB C 804 32.377 32.106 0.271 1
1 1914 . 3 1 1 A 182 182 PHE N N 805 119.784 116.215 3.569 1
1 1915 . 3 1 1 A 182 182 PHE H H 805 8.206 8.324 -0.118 1
1 1916 . 3 1 1 A 182 182 PHE CA C 805 57.256 60.880 -3.624 1
1 1917 . 3 1 1 A 182 182 PHE HA H 805 4.664 4.187 0.477 1
1 1918 . 3 1 1 A 182 182 PHE CB C 805 38.774 37.727 1.047 1
1 1927 . 3 1 1 A 183 183 SER N N 806 123.742 116.222 7.520 1
1 1928 . 3 1 1 A 183 183 SER H H 806 8.121 8.612 -0.491 1
1 1929 . 3 1 1 A 183 183 SER CA C 806 58.203 58.668 -0.465 1
1 1930 . 3 1 1 A 183 183 SER HA H 806 4.361 4.737 -0.376 1
1 1931 . 3 1 1 A 183 183 SER CB C 806 63.764 64.368 -0.604 1
1 1934 . 3 1 1 A 184 184 ALA N N 807 125.704 120.877 4.827 1
1 1935 . 3 1 1 A 184 184 ALA H H 807 8.286 8.211 0.075 1
1 1936 . 3 1 1 A 184 184 ALA CA C 807 52.574 50.888 1.686 1
1 1937 . 3 1 1 A 184 184 ALA HA H 807 4.360 4.544 -0.184 1
1 1938 . 3 1 1 A 184 184 ALA CB C 807 18.947 21.398 -2.451 1
1 1942 . 3 1 1 A 185 185 VAL N N 808 118.271 114.325 3.946 1
1 1943 . 3 1 1 A 185 185 VAL H H 808 7.958 8.608 -0.650 1
1 1944 . 3 1 1 A 185 185 VAL CA C 808 62.216 61.844 0.372 1
1 1945 . 3 1 1 A 185 185 VAL HA H 808 4.151 4.294 -0.143 1
1 1946 . 3 1 1 A 185 185 VAL CB C 808 32.178 31.958 0.220 1
1 1952 . 3 1 1 A 186 186 LEU N N 809 125.280 120.427 4.853 1
1 1953 . 3 1 1 A 186 186 LEU H H 809 8.195 7.563 0.632 1
1 1954 . 3 1 1 A 186 186 LEU CA C 809 54.474 54.528 -0.054 1
1 1955 . 3 1 1 A 186 186 LEU HA H 809 4.430 4.387 0.043 1
1 1956 . 3 1 1 A 186 186 LEU CB C 809 42.303 41.889 0.414 1
1 1968 . 3 1 1 A 187 187 VAL N N 810 120.937 117.829 3.108 1
1 1969 . 3 1 1 A 187 187 VAL H H 810 7.985 7.721 0.264 1
1 1970 . 3 1 1 A 187 187 VAL CA C 810 62.004 62.196 -0.192 1
1 1971 . 3 1 1 A 187 187 VAL HA H 810 4.155 4.192 -0.037 1
1 1972 . 3 1 1 A 187 187 VAL CB C 810 32.602 32.788 -0.186 1
1 1979 . 3 1 1 A 188 188 GLU N N 811 126.353 123.600 2.753 1
1 1980 . 3 1 1 A 188 188 GLU H H 811 8.292 7.443 0.849 1
1 1981 . 3 1 1 A 188 188 GLU CA C 811 54.162 54.285 -0.123 1
1 1982 . 3 1 1 A 188 188 GLU HA H 811 4.609 4.081 0.528 1
1 1983 . 3 1 1 A 188 188 GLU CB C 811 29.775 30.599 -0.824 1
1 1 . 4 1 1 A 2 2 ALA CA C 625 52.969 51.241 1.728 1
1 2 . 4 1 1 A 2 2 ALA HA H 625 4.493 4.495 -0.002 1
1 3 . 4 1 1 A 2 2 ALA CB C 625 19.272 20.319 -1.047 1
1 7 . 4 1 1 A 3 3 THR N N 626 113.570 107.917 5.653 1
1 8 . 4 1 1 A 3 3 THR H H 626 8.176 8.235 -0.059 1
1 9 . 4 1 1 A 3 3 THR CA C 626 61.314 65.698 -4.384 1
1 10 . 4 1 1 A 3 3 THR HA H 626 4.298 4.042 0.256 1
1 11 . 4 1 1 A 3 3 THR CB C 626 69.270 66.961 2.309 1
1 17 . 4 1 1 A 4 4 ILE N N 627 115.272 119.112 -3.840 1
1 18 . 4 1 1 A 4 4 ILE H H 627 7.549 8.708 -1.159 1
1 19 . 4 1 1 A 4 4 ILE CA C 627 58.731 61.655 -2.924 1
1 20 . 4 1 1 A 4 4 ILE HA H 627 4.258 4.583 -0.325 1
1 21 . 4 1 1 A 4 4 ILE CB C 627 42.246 36.740 5.506 1
1 34 . 4 1 1 A 5 5 CYS N N 628 124.095 125.384 -1.289 1
1 35 . 4 1 1 A 5 5 CYS H H 628 7.766 8.652 -0.886 1
1 36 . 4 1 1 A 5 5 CYS CA C 628 57.978 58.924 -0.946 1
1 37 . 4 1 1 A 5 5 CYS HA H 628 3.781 4.679 -0.898 1
1 38 . 4 1 1 A 5 5 CYS CB C 628 31.436 27.676 3.760 1
1 41 . 4 1 1 A 6 6 ARG N N 629 129.928 127.758 2.170 1
1 42 . 4 1 1 A 6 6 ARG H H 629 9.040 8.348 0.692 1
1 43 . 4 1 1 A 6 6 ARG CA C 629 57.514 59.271 -1.757 1
1 44 . 4 1 1 A 6 6 ARG HA H 629 3.900 3.658 0.242 1
1 45 . 4 1 1 A 6 6 ARG CB C 629 30.251 29.599 0.652 1
1 54 . 4 1 1 A 7 7 VAL N N 630 118.166 118.543 -0.377 1
1 55 . 4 1 1 A 7 7 VAL H H 630 8.734 7.377 1.357 1
1 56 . 4 1 1 A 7 7 VAL CA C 630 65.770 65.024 0.746 1
1 57 . 4 1 1 A 7 7 VAL HA H 630 4.137 3.791 0.346 1
1 58 . 4 1 1 A 7 7 VAL CB C 630 33.079 31.227 1.852 1
1 68 . 4 1 1 A 8 8 CYS N N 631 116.148 119.674 -3.526 1
1 69 . 4 1 1 A 8 8 CYS H H 631 8.143 7.831 0.312 1
1 70 . 4 1 1 A 8 8 CYS CA C 631 59.154 61.357 -2.203 1
1 71 . 4 1 1 A 8 8 CYS HA H 631 5.105 4.468 0.637 1
1 72 . 4 1 1 A 8 8 CYS CB C 631 31.184 28.335 2.849 1
1 75 . 4 1 1 A 9 9 GLN N N 632 115.248 116.683 -1.435 1
1 76 . 4 1 1 A 9 9 GLN H H 632 8.132 8.977 -0.845 1
1 77 . 4 1 1 A 9 9 GLN CA C 632 57.404 57.160 0.244 1
1 78 . 4 1 1 A 9 9 GLN HA H 632 4.068 3.869 0.199 1
1 79 . 4 1 1 A 9 9 GLN CB C 632 26.002 26.047 -0.045 1
1 88 . 4 1 1 A 10 10 LYS N N 633 118.420 118.435 -0.015 1
1 89 . 4 1 1 A 10 10 LYS H H 633 8.091 7.749 0.342 1
1 90 . 4 1 1 A 10 10 LYS CA C 633 53.835 52.903 0.932 1
1 91 . 4 1 1 A 10 10 LYS HA H 633 5.046 4.813 0.233 1
1 92 . 4 1 1 A 10 10 LYS CB C 633 33.312 33.638 -0.326 1
1 102 . 4 1 1 A 11 11 PRO CA C 634 62.136 62.726 -0.590 1
1 103 . 4 1 1 A 11 11 PRO HA H 634 5.056 4.828 0.228 1
1 104 . 4 1 1 A 11 11 PRO CB C 634 33.061 32.358 0.703 1
1 112 . 4 1 1 A 12 12 GLY N N 635 106.958 108.070 -1.112 1
1 113 . 4 1 1 A 12 12 GLY H H 635 8.475 7.932 0.543 1
1 114 . 4 1 1 A 12 12 GLY CA C 635 45.303 45.808 -0.505 1
1 115 . 4 1 1 A 12 12 GLY HA3 H 635 3.812 4.332 -0.520 1
1 116 . 4 1 1 A 12 12 GLY HA2 H 635 4.438 4.228 0.210 1
1 117 . 4 1 1 A 13 13 ASP N N 636 124.001 123.367 0.634 1
1 118 . 4 1 1 A 13 13 ASP H H 636 8.729 8.616 0.113 1
1 119 . 4 1 1 A 13 13 ASP CA C 636 54.239 52.947 1.292 1
1 120 . 4 1 1 A 13 13 ASP HA H 636 4.656 4.733 -0.077 1
1 121 . 4 1 1 A 13 13 ASP CB C 636 39.425 39.074 0.351 1
1 124 . 4 1 1 A 14 14 LEU N N 637 121.435 121.677 -0.242 1
1 125 . 4 1 1 A 14 14 LEU H H 637 7.849 7.540 0.309 1
1 126 . 4 1 1 A 14 14 LEU CA C 637 53.306 54.926 -1.620 1
1 127 . 4 1 1 A 14 14 LEU HA H 637 4.546 4.644 -0.098 1
1 128 . 4 1 1 A 14 14 LEU CB C 637 44.117 42.432 1.685 1
1 141 . 4 1 1 A 15 15 VAL N N 638 118.100 123.098 -4.998 1
1 142 . 4 1 1 A 15 15 VAL H H 638 8.703 8.892 -0.189 1
1 143 . 4 1 1 A 15 15 VAL CA C 638 59.865 60.522 -0.657 1
1 144 . 4 1 1 A 15 15 VAL HA H 638 4.383 4.398 -0.015 1
1 145 . 4 1 1 A 15 15 VAL CB C 638 33.305 33.477 -0.172 1
1 155 . 4 1 1 A 16 16 MET N N 639 125.271 124.677 0.594 1
1 156 . 4 1 1 A 16 16 MET H H 639 8.519 8.932 -0.413 1
1 157 . 4 1 1 A 16 16 MET CA C 639 54.122 54.806 -0.684 1
1 158 . 4 1 1 A 16 16 MET HA H 639 5.210 5.122 0.088 1
1 159 . 4 1 1 A 16 16 MET CB C 639 36.310 35.862 0.448 1
1 169 . 4 1 1 A 17 17 CYS N N 640 129.455 124.899 4.556 1
1 170 . 4 1 1 A 17 17 CYS H H 640 9.139 9.115 0.024 1
1 171 . 4 1 1 A 17 17 CYS CA C 640 59.996 59.563 0.433 1
1 172 . 4 1 1 A 17 17 CYS HA H 640 4.658 4.325 0.333 1
1 173 . 4 1 1 A 17 17 CYS CB C 640 31.238 28.255 2.983 1
1 176 . 4 1 1 A 18 18 ASN N N 641 128.271 126.519 1.752 1
1 177 . 4 1 1 A 18 18 ASN H H 641 8.914 9.335 -0.421 1
1 178 . 4 1 1 A 18 18 ASN CA C 641 55.658 55.044 0.614 1
1 179 . 4 1 1 A 18 18 ASN HA H 641 4.584 4.536 0.048 1
1 180 . 4 1 1 A 18 18 ASN CB C 641 38.955 38.326 0.629 1
1 186 . 4 1 1 A 19 19 GLN N N 642 121.426 116.565 4.861 1
1 187 . 4 1 1 A 19 19 GLN H H 642 9.313 7.478 1.835 1
1 188 . 4 1 1 A 19 19 GLN CA C 642 57.971 56.221 1.750 1
1 189 . 4 1 1 A 19 19 GLN HA H 642 4.502 4.458 0.044 1
1 190 . 4 1 1 A 19 19 GLN CB C 642 30.466 31.054 -0.588 1
1 197 . 4 1 1 A 20 20 CYS N N 643 120.207 116.953 3.254 1
1 198 . 4 1 1 A 20 20 CYS H H 643 8.542 7.703 0.839 1
1 199 . 4 1 1 A 20 20 CYS CA C 643 59.473 58.337 1.136 1
1 200 . 4 1 1 A 20 20 CYS HA H 643 4.663 4.711 -0.048 1
1 201 . 4 1 1 A 20 20 CYS CB C 643 31.889 28.176 3.713 1
1 204 . 4 1 1 A 21 21 GLU N N 644 114.113 117.577 -3.464 1
1 205 . 4 1 1 A 21 21 GLU H H 644 7.441 8.419 -0.978 1
1 206 . 4 1 1 A 21 21 GLU CA C 644 57.994 59.419 -1.425 1
1 207 . 4 1 1 A 21 21 GLU HA H 644 4.285 3.986 0.299 1
1 208 . 4 1 1 A 21 21 GLU CB C 644 26.843 27.824 -0.981 1
1 214 . 4 1 1 A 22 22 PHE N N 645 120.911 118.919 1.992 1
1 215 . 4 1 1 A 22 22 PHE H H 645 8.941 8.930 0.011 1
1 216 . 4 1 1 A 22 22 PHE CA C 645 57.356 58.590 -1.234 1
1 217 . 4 1 1 A 22 22 PHE HA H 645 4.777 4.306 0.471 1
1 218 . 4 1 1 A 22 22 PHE CB C 645 38.709 37.770 0.939 1
1 226 . 4 1 1 A 23 23 CYS N N 646 115.830 124.637 -8.807 1
1 227 . 4 1 1 A 23 23 CYS H H 646 8.137 8.774 -0.637 1
1 228 . 4 1 1 A 23 23 CYS CA C 646 56.600 58.404 -1.804 1
1 229 . 4 1 1 A 23 23 CYS HA H 646 5.813 5.841 -0.028 1
1 230 . 4 1 1 A 23 23 CYS CB C 646 30.951 29.050 1.901 1
1 233 . 4 1 1 A 24 24 PHE N N 647 116.053 120.686 -4.633 1
1 234 . 4 1 1 A 24 24 PHE H H 647 9.011 8.602 0.409 1
1 235 . 4 1 1 A 24 24 PHE CA C 647 56.827 56.705 0.122 1
1 236 . 4 1 1 A 24 24 PHE HA H 647 5.910 4.848 1.062 1
1 237 . 4 1 1 A 24 24 PHE CB C 647 44.608 43.321 1.287 1
1 246 . 4 1 1 A 25 25 HIS N N 648 120.957 121.650 -0.693 1
1 247 . 4 1 1 A 25 25 HIS H H 648 8.427 9.109 -0.682 1
1 248 . 4 1 1 A 25 25 HIS CA C 648 58.971 56.828 2.143 1
1 249 . 4 1 1 A 25 25 HIS HA H 648 4.929 4.377 0.552 1
1 250 . 4 1 1 A 25 25 HIS CB C 648 31.178 29.787 1.391 1
1 257 . 4 1 1 A 26 26 LEU N N 649 123.176 117.111 6.065 1
1 258 . 4 1 1 A 26 26 LEU H H 649 9.369 8.017 1.352 1
1 259 . 4 1 1 A 26 26 LEU CA C 649 59.646 57.574 2.072 1
1 260 . 4 1 1 A 26 26 LEU HA H 649 3.829 3.676 0.153 1
1 261 . 4 1 1 A 26 26 LEU CB C 649 39.426 40.200 -0.774 1
1 274 . 4 1 1 A 27 27 ASP N N 650 109.058 118.296 -9.238 1
1 275 . 4 1 1 A 27 27 ASP H H 650 8.326 9.442 -1.116 1
1 276 . 4 1 1 A 27 27 ASP CA C 650 53.998 56.657 -2.659 1
1 277 . 4 1 1 A 27 27 ASP HA H 650 4.739 4.343 0.396 1
1 278 . 4 1 1 A 27 27 ASP CB C 650 40.331 39.665 0.666 1
1 280 . 4 1 1 A 28 28 CYS N N 651 117.495 116.753 0.742 1
1 281 . 4 1 1 A 28 28 CYS H H 651 7.480 8.039 -0.559 1
1 282 . 4 1 1 A 28 28 CYS CA C 651 61.534 63.692 -2.158 1
1 283 . 4 1 1 A 28 28 CYS HA H 651 4.245 4.260 -0.015 1
1 284 . 4 1 1 A 28 28 CYS CB C 651 31.646 27.639 4.007 1
1 286 . 4 1 1 A 29 29 HIS N N 652 116.384 121.470 -5.086 1
1 287 . 4 1 1 A 29 29 HIS H H 652 6.894 7.720 -0.826 1
1 288 . 4 1 1 A 29 29 HIS CA C 652 59.713 57.551 2.162 1
1 289 . 4 1 1 A 29 29 HIS HA H 652 3.644 4.660 -1.016 1
1 290 . 4 1 1 A 29 29 HIS CB C 652 27.909 30.756 -2.847 1
1 296 . 4 1 1 A 30 30 LEU N N 653 121.110 127.161 -6.051 1
1 297 . 4 1 1 A 30 30 LEU H H 653 4.525 8.427 -3.902 1
1 298 . 4 1 1 A 30 30 LEU CA C 653 51.439 59.404 -7.965 1
1 299 . 4 1 1 A 30 30 LEU HA H 653 4.515 3.406 1.109 1
1 300 . 4 1 1 A 30 30 LEU CB C 653 46.001 41.038 4.963 1
1 312 . 4 1 1 A 31 31 PRO CA C 654 62.964 63.787 -0.823 1
1 313 . 4 1 1 A 31 31 PRO HA H 654 4.471 4.366 0.105 1
1 314 . 4 1 1 A 31 31 PRO CB C 654 34.045 32.124 1.921 1
1 322 . 4 1 1 A 32 32 ALA N N 655 125.871 120.104 5.767 1
1 323 . 4 1 1 A 32 32 ALA H H 655 8.766 8.063 0.703 1
1 324 . 4 1 1 A 32 32 ALA CA C 655 52.771 52.989 -0.218 1
1 325 . 4 1 1 A 32 32 ALA HA H 655 4.349 4.990 -0.641 1
1 326 . 4 1 1 A 32 32 ALA CB C 655 18.177 17.895 0.282 1
1 330 . 4 1 1 A 33 33 LEU N N 656 123.348 125.256 -1.908 1
1 331 . 4 1 1 A 33 33 LEU H H 656 8.230 8.378 -0.148 1
1 332 . 4 1 1 A 33 33 LEU CA C 656 54.014 57.090 -3.076 1
1 333 . 4 1 1 A 33 33 LEU HA H 656 4.445 3.803 0.642 1
1 334 . 4 1 1 A 33 33 LEU CB C 656 43.197 41.558 1.639 1
1 347 . 4 1 1 A 34 34 GLN N N 657 119.992 115.678 4.314 1
1 348 . 4 1 1 A 34 34 GLN H H 657 8.679 7.751 0.928 1
1 349 . 4 1 1 A 34 34 GLN CA C 657 56.354 57.495 -1.141 1
1 350 . 4 1 1 A 34 34 GLN HA H 657 4.159 3.944 0.215 1
1 351 . 4 1 1 A 34 34 GLN CB C 657 29.555 26.875 2.680 1
1 359 . 4 1 1 A 35 35 ASP N N 658 115.420 115.876 -0.456 1
1 360 . 4 1 1 A 35 35 ASP H H 658 7.457 7.468 -0.011 1
1 361 . 4 1 1 A 35 35 ASP CA C 658 51.696 53.962 -2.266 1
1 362 . 4 1 1 A 35 35 ASP HA H 658 4.626 4.834 -0.208 1
1 363 . 4 1 1 A 35 35 ASP CB C 658 43.431 43.010 0.421 1
1 366 . 4 1 1 A 36 36 VAL N N 659 122.099 120.365 1.734 1
1 367 . 4 1 1 A 36 36 VAL H H 659 8.624 8.443 0.181 1
1 368 . 4 1 1 A 36 36 VAL CA C 659 60.994 61.106 -0.112 1
1 369 . 4 1 1 A 36 36 VAL HA H 659 3.752 3.860 -0.108 1
1 370 . 4 1 1 A 36 36 VAL CB C 659 32.087 31.732 0.355 1
1 380 . 4 1 1 A 37 37 PRO CA C 660 62.728 63.720 -0.992 1
1 381 . 4 1 1 A 37 37 PRO HA H 660 4.454 4.311 0.143 1
1 382 . 4 1 1 A 37 37 PRO CB C 660 32.835 31.975 0.860 1
1 391 . 4 1 1 A 38 38 GLY N N 661 106.940 108.753 -1.813 1
1 392 . 4 1 1 A 38 38 GLY H H 661 8.189 7.819 0.370 1
1 393 . 4 1 1 A 38 38 GLY CA C 661 44.397 44.903 -0.506 1
1 394 . 4 1 1 A 38 38 GLY HA3 H 661 3.969 4.074 -0.105 1
1 395 . 4 1 1 A 38 38 GLY HA2 H 661 4.190 4.054 0.136 1
1 396 . 4 1 1 A 39 39 GLU N N 662 117.365 123.632 -6.267 1
1 397 . 4 1 1 A 39 39 GLU H H 662 8.281 8.618 -0.337 1
1 398 . 4 1 1 A 39 39 GLU CA C 662 57.520 55.820 1.700 1
1 399 . 4 1 1 A 39 39 GLU HA H 662 4.281 4.718 -0.437 1
1 400 . 4 1 1 A 39 39 GLU CB C 662 30.013 30.440 -0.427 1
1 405 . 4 1 1 A 40 40 GLU N N 663 117.986 118.629 -0.643 1
1 406 . 4 1 1 A 40 40 GLU H H 663 8.697 8.012 0.685 1
1 407 . 4 1 1 A 40 40 GLU CA C 663 56.389 56.077 0.312 1
1 408 . 4 1 1 A 40 40 GLU HA H 663 4.293 4.614 -0.321 1
1 409 . 4 1 1 A 40 40 GLU CB C 663 28.787 31.094 -2.307 1
1 414 . 4 1 1 A 41 41 TRP N N 664 124.391 124.093 0.298 1
1 415 . 4 1 1 A 41 41 TRP H H 664 7.967 7.696 0.271 1
1 416 . 4 1 1 A 41 41 TRP CA C 664 59.934 58.590 1.344 1
1 417 . 4 1 1 A 41 41 TRP HA H 664 4.312 4.669 -0.357 1
1 418 . 4 1 1 A 41 41 TRP CB C 664 29.998 30.114 -0.116 1
1 432 . 4 1 1 A 42 42 SER N N 665 120.355 117.885 2.470 1
1 433 . 4 1 1 A 42 42 SER H H 665 6.873 7.838 -0.965 1
1 434 . 4 1 1 A 42 42 SER CA C 665 55.166 56.934 -1.768 1
1 435 . 4 1 1 A 42 42 SER HA H 665 5.259 4.784 0.475 1
1 436 . 4 1 1 A 42 42 SER CB C 665 65.990 66.481 -0.491 1
1 439 . 4 1 1 A 43 43 CYS N N 666 125.642 122.278 3.364 1
1 440 . 4 1 1 A 43 43 CYS H H 666 9.271 8.114 1.157 1
1 441 . 4 1 1 A 43 43 CYS CA C 666 57.325 59.041 -1.716 1
1 442 . 4 1 1 A 43 43 CYS HA H 666 3.952 3.398 0.554 1
1 443 . 4 1 1 A 43 43 CYS CB C 666 34.022 27.303 6.719 1
1 446 . 4 1 1 A 44 44 SER N N 667 117.158 119.435 -2.277 1
1 447 . 4 1 1 A 44 44 SER H H 667 7.068 8.938 -1.870 1
1 448 . 4 1 1 A 44 44 SER CA C 667 61.353 61.397 -0.044 1
1 449 . 4 1 1 A 44 44 SER HA H 667 4.225 4.148 0.077 1
1 450 . 4 1 1 A 44 44 SER CB C 667 63.693 62.845 0.848 1
1 453 . 4 1 1 A 45 45 LEU N N 668 120.667 121.479 -0.812 1
1 454 . 4 1 1 A 45 45 LEU H H 668 8.965 7.614 1.351 1
1 455 . 4 1 1 A 45 45 LEU CA C 668 57.416 56.243 1.173 1
1 456 . 4 1 1 A 45 45 LEU HA H 668 4.178 4.344 -0.166 1
1 457 . 4 1 1 A 45 45 LEU CB C 668 40.611 41.619 -1.008 1
1 470 . 4 1 1 A 46 46 CYS N N 669 121.872 115.638 6.234 1
1 471 . 4 1 1 A 46 46 CYS H H 669 7.816 8.865 -1.049 1
1 472 . 4 1 1 A 46 46 CYS CA C 669 62.557 59.012 3.545 1
1 473 . 4 1 1 A 46 46 CYS HA H 669 3.969 4.645 -0.676 1
1 474 . 4 1 1 A 46 46 CYS CB C 669 30.467 29.641 0.826 1
1 477 . 4 1 1 A 47 47 HIS N N 670 119.396 120.181 -0.785 1
1 478 . 4 1 1 A 47 47 HIS H H 670 8.077 7.952 0.125 1
1 479 . 4 1 1 A 47 47 HIS CA C 670 55.625 54.347 1.278 1
1 480 . 4 1 1 A 47 47 HIS HA H 670 4.429 4.744 -0.315 1
1 481 . 4 1 1 A 47 47 HIS CB C 670 30.326 30.223 0.103 1
1 488 . 4 1 1 A 48 48 VAL N N 671 123.528 123.124 0.404 1
1 489 . 4 1 1 A 48 48 VAL H H 671 7.978 7.151 0.827 1
1 490 . 4 1 1 A 48 48 VAL CA C 671 62.120 63.084 -0.964 1
1 491 . 4 1 1 A 48 48 VAL HA H 671 3.925 3.873 0.052 1
1 492 . 4 1 1 A 48 48 VAL CB C 671 32.396 32.402 -0.006 1
1 502 . 4 1 1 A 49 49 LEU N N 672 126.622 127.371 -0.749 1
1 503 . 4 1 1 A 49 49 LEU H H 672 8.139 8.177 -0.038 1
1 504 . 4 1 1 A 49 49 LEU CA C 672 52.859 51.333 1.526 1
1 505 . 4 1 1 A 49 49 LEU HA H 672 4.475 4.770 -0.295 1
1 506 . 4 1 1 A 49 49 LEU CB C 672 41.536 45.839 -4.303 1
1 518 . 4 1 1 A 50 50 PRO CA C 673 62.715 65.634 -2.919 1
1 519 . 4 1 1 A 50 50 PRO HA H 673 4.386 4.409 -0.023 1
1 520 . 4 1 1 A 50 50 PRO CB C 673 32.093 31.603 0.490 1
1 528 . 4 1 1 A 51 51 ASP N N 674 120.540 115.325 5.215 1
1 529 . 4 1 1 A 51 51 ASP H H 674 8.307 8.092 0.215 1
1 530 . 4 1 1 A 51 51 ASP CA C 674 54.202 54.031 0.171 1
1 531 . 4 1 1 A 51 51 ASP HA H 674 4.564 4.856 -0.292 1
1 532 . 4 1 1 A 51 51 ASP CB C 674 41.030 43.855 -2.825 1
1 535 . 4 1 1 A 52 52 LEU N N 675 122.987 118.476 4.511 1
1 536 . 4 1 1 A 52 52 LEU H H 675 8.053 8.231 -0.178 1
1 537 . 4 1 1 A 52 52 LEU CA C 675 54.945 55.982 -1.037 1
1 538 . 4 1 1 A 52 52 LEU HA H 675 4.364 3.904 0.460 1
1 539 . 4 1 1 A 52 52 LEU CB C 675 42.436 40.312 2.124 1
1 551 . 4 1 1 A 53 53 LYS N N 676 122.061 117.647 4.414 1
1 552 . 4 1 1 A 53 53 LYS H H 676 8.340 8.266 0.074 1
1 553 . 4 1 1 A 53 53 LYS CA C 676 56.060 57.959 -1.899 1
1 554 . 4 1 1 A 53 53 LYS HA H 676 4.331 4.058 0.273 1
1 555 . 4 1 1 A 53 53 LYS CB C 676 32.363 32.340 0.023 1
1 564 . 4 1 1 A 54 54 GLU N N 677 121.909 116.220 5.689 1
1 565 . 4 1 1 A 54 54 GLU H H 677 8.403 7.945 0.458 1
1 566 . 4 1 1 A 54 54 GLU CA C 677 56.586 57.605 -1.019 1
1 567 . 4 1 1 A 54 54 GLU HA H 677 4.312 3.873 0.439 1
1 568 . 4 1 1 A 54 54 GLU CB C 677 30.221 27.502 2.719 1
1 573 . 4 1 1 A 55 55 GLU N N 678 121.528 118.347 3.181 1
1 574 . 4 1 1 A 55 55 GLU H H 678 8.486 7.859 0.627 1
1 575 . 4 1 1 A 55 55 GLU CA C 678 56.368 55.043 1.325 1
1 576 . 4 1 1 A 55 55 GLU HA H 678 4.315 4.603 -0.288 1
1 577 . 4 1 1 A 55 55 GLU CB C 678 28.896 31.594 -2.698 1
1 582 . 4 1 1 A 56 56 ASP N N 679 121.530 117.370 4.160 1
1 583 . 4 1 1 A 56 56 ASP H H 679 8.322 8.870 -0.548 1
1 584 . 4 1 1 A 56 56 ASP CA C 679 54.252 55.445 -1.193 1
1 585 . 4 1 1 A 56 56 ASP HA H 679 4.680 4.609 0.071 1
1 586 . 4 1 1 A 56 56 ASP CB C 679 41.146 38.935 2.211 1
1 588 . 4 1 1 A 57 57 GLY N N 680 109.997 105.987 4.010 1
1 589 . 4 1 1 A 57 57 GLY H H 680 8.412 8.058 0.354 1
1 590 . 4 1 1 A 57 57 GLY CA C 680 45.247 46.320 -1.073 1
1 591 . 4 1 1 A 57 57 GLY HA2 H 680 4.020 3.940 0.080 1
1 592 . 4 1 1 A 58 58 SER N N 681 115.994 113.656 2.338 1
1 593 . 4 1 1 A 58 58 SER H H 681 8.280 7.840 0.440 1
1 594 . 4 1 1 A 58 58 SER CA C 681 58.239 57.794 0.445 1
1 595 . 4 1 1 A 58 58 SER HA H 681 3.996 4.700 -0.704 1
1 596 . 4 1 1 A 58 58 SER CB C 681 63.789 65.025 -1.236 1
1 598 . 4 1 1 A 59 59 LEU N N 682 123.362 123.409 -0.047 1
1 599 . 4 1 1 A 59 59 LEU H H 682 8.164 7.493 0.671 1
1 600 . 4 1 1 A 59 59 LEU CA C 682 55.160 54.080 1.080 1
1 601 . 4 1 1 A 59 59 LEU HA H 682 4.427 4.888 -0.461 1
1 602 . 4 1 1 A 59 59 LEU CB C 682 42.473 44.961 -2.488 1
1 614 . 4 1 1 A 60 60 SER N N 683 116.385 118.306 -1.921 1
1 615 . 4 1 1 A 60 60 SER H H 683 8.226 8.717 -0.491 1
1 616 . 4 1 1 A 60 60 SER CA C 683 58.004 57.024 0.980 1
1 617 . 4 1 1 A 60 60 SER HA H 683 4.517 4.768 -0.251 1
1 618 . 4 1 1 A 60 60 SER CB C 683 63.651 63.291 0.360 1
1 620 . 4 1 1 A 61 61 LEU N N 684 124.466 124.191 0.275 1
1 621 . 4 1 1 A 61 61 LEU H H 684 8.303 8.096 0.207 1
1 622 . 4 1 1 A 61 61 LEU CA C 684 54.959 57.133 -2.174 1
1 623 . 4 1 1 A 61 61 LEU HA H 684 4.412 4.056 0.356 1
1 624 . 4 1 1 A 61 61 LEU CB C 684 41.713 41.791 -0.078 1
1 635 . 4 1 1 A 62 62 ASP N N 685 120.536 119.374 1.162 1
1 636 . 4 1 1 A 62 62 ASP H H 685 8.267 7.515 0.752 1
1 637 . 4 1 1 A 62 62 ASP CA C 685 54.276 54.943 -0.667 1
1 638 . 4 1 1 A 62 62 ASP HA H 685 4.680 4.510 0.170 1
1 639 . 4 1 1 A 62 62 ASP CB C 685 41.125 41.396 -0.271 1
1 642 . 4 1 1 A 63 63 GLY N N 686 109.373 108.861 0.512 1
1 643 . 4 1 1 A 63 63 GLY H H 686 8.277 8.747 -0.470 1
1 644 . 4 1 1 A 63 63 GLY CA C 686 45.297 47.042 -1.745 1
1 645 . 4 1 1 A 63 63 GLY HA2 H 686 3.992 3.865 0.127 1
1 646 . 4 1 1 A 64 64 ALA N N 687 123.584 124.545 -0.961 1
1 647 . 4 1 1 A 64 64 ALA H H 687 8.129 8.006 0.123 1
1 648 . 4 1 1 A 64 64 ALA CA C 687 52.637 55.106 -2.469 1
1 649 . 4 1 1 A 64 64 ALA HA H 687 4.379 4.096 0.283 1
1 650 . 4 1 1 A 64 64 ALA CB C 687 19.122 19.189 -0.067 1
1 654 . 4 1 1 A 65 65 ASP N N 688 118.924 118.020 0.904 1
1 655 . 4 1 1 A 65 65 ASP H H 688 8.326 8.175 0.151 1
1 656 . 4 1 1 A 65 65 ASP CA C 688 53.972 54.796 -0.824 1
1 657 . 4 1 1 A 65 65 ASP HA H 688 4.682 4.295 0.387 1
1 658 . 4 1 1 A 65 65 ASP CB C 688 41.061 39.233 1.828 1
1 660 . 4 1 1 A 66 66 SER N N 689 116.036 116.060 -0.024 1
1 661 . 4 1 1 A 66 66 SER H H 689 8.285 8.088 0.197 1
1 662 . 4 1 1 A 66 66 SER CA C 689 58.352 60.001 -1.649 1
1 663 . 4 1 1 A 66 66 SER HA H 689 4.443 4.567 -0.124 1
1 664 . 4 1 1 A 66 66 SER CB C 689 63.665 63.495 0.170 1
1 666 . 4 1 1 A 67 67 THR N N 690 115.059 111.492 3.567 1
1 667 . 4 1 1 A 67 67 THR H H 690 8.253 8.104 0.149 1
1 668 . 4 1 1 A 67 67 THR CA C 690 62.556 63.447 -0.891 1
1 669 . 4 1 1 A 67 67 THR HA H 690 4.379 4.429 -0.050 1
1 670 . 4 1 1 A 67 67 THR CB C 690 69.623 71.084 -1.461 1
1 676 . 4 1 1 A 68 68 GLY N N 691 111.091 107.845 3.246 1
1 677 . 4 1 1 A 68 68 GLY H H 691 8.366 8.085 0.281 1
1 678 . 4 1 1 A 68 68 GLY CA C 691 45.297 47.145 -1.848 1
1 679 . 4 1 1 A 68 68 GLY HA2 H 691 4.002 3.956 0.046 1
1 680 . 4 1 1 A 69 69 VAL N N 692 119.280 121.807 -2.527 1
1 681 . 4 1 1 A 69 69 VAL H H 692 7.876 7.836 0.040 1
1 682 . 4 1 1 A 69 69 VAL CA C 692 62.068 64.883 -2.815 1
1 683 . 4 1 1 A 69 69 VAL HA H 692 4.176 3.904 0.272 1
1 684 . 4 1 1 A 69 69 VAL CB C 692 32.322 31.177 1.145 1
1 690 . 4 1 1 A 70 70 VAL N N 693 123.601 120.884 2.717 1
1 691 . 4 1 1 A 70 70 VAL H H 693 8.102 7.903 0.199 1
1 692 . 4 1 1 A 70 70 VAL CA C 693 61.886 63.161 -1.275 1
1 693 . 4 1 1 A 70 70 VAL HA H 693 4.150 4.411 -0.261 1
1 694 . 4 1 1 A 70 70 VAL CB C 693 32.429 34.381 -1.952 1
1 700 . 4 1 1 A 71 71 ALA N N 694 129.048 123.639 5.409 1
1 701 . 4 1 1 A 71 71 ALA H H 694 8.374 8.035 0.339 1
1 702 . 4 1 1 A 71 71 ALA CA C 694 52.125 52.886 -0.761 1
1 703 . 4 1 1 A 71 71 ALA HA H 694 4.454 4.007 0.447 1
1 704 . 4 1 1 A 71 71 ALA CB C 694 19.203 17.233 1.970 1
1 708 . 4 1 1 A 72 72 LYS N N 695 118.535 117.463 1.072 1
1 709 . 4 1 1 A 72 72 LYS H H 695 7.833 7.891 -0.058 1
1 710 . 4 1 1 A 72 72 LYS CA C 695 54.556 59.260 -4.704 1
1 711 . 4 1 1 A 72 72 LYS HA H 695 4.827 4.032 0.795 1
1 712 . 4 1 1 A 72 72 LYS CB C 695 35.245 32.646 2.599 1
1 722 . 4 1 1 A 73 73 LEU N N 696 121.834 121.317 0.517 1
1 723 . 4 1 1 A 73 73 LEU H H 696 8.772 7.754 1.018 1
1 724 . 4 1 1 A 73 73 LEU CA C 696 54.973 56.633 -1.660 1
1 725 . 4 1 1 A 73 73 LEU HA H 696 4.268 4.021 0.247 1
1 726 . 4 1 1 A 73 73 LEU CB C 696 42.467 42.532 -0.065 1
1 739 . 4 1 1 A 74 74 SER N N 697 121.120 111.650 9.470 1
1 740 . 4 1 1 A 74 74 SER H H 697 8.890 7.520 1.370 1
1 741 . 4 1 1 A 74 74 SER CA C 697 56.165 57.335 -1.170 1
1 742 . 4 1 1 A 74 74 SER HA H 697 4.710 4.511 0.199 1
1 743 . 4 1 1 A 74 74 SER CB C 697 62.177 65.722 -3.545 1
1 745 . 4 1 1 A 75 75 PRO CA C 698 66.251 65.173 1.078 1
1 746 . 4 1 1 A 75 75 PRO HA H 698 4.350 4.293 0.057 1
1 747 . 4 1 1 A 75 75 PRO CB C 698 31.661 31.728 -0.067 1
1 755 . 4 1 1 A 76 76 ALA N N 699 117.914 119.630 -1.716 1
1 756 . 4 1 1 A 76 76 ALA H H 699 8.458 7.711 0.747 1
1 757 . 4 1 1 A 76 76 ALA CA C 699 55.000 55.000 0.000 1
1 758 . 4 1 1 A 76 76 ALA HA H 699 4.132 4.192 -0.060 1
1 759 . 4 1 1 A 76 76 ALA CB C 699 18.785 19.301 -0.516 1
1 763 . 4 1 1 A 77 77 ASN N N 700 116.945 117.035 -0.090 1
1 764 . 4 1 1 A 77 77 ASN H H 700 7.760 8.290 -0.530 1
1 765 . 4 1 1 A 77 77 ASN CA C 700 55.210 55.779 -0.569 1
1 766 . 4 1 1 A 77 77 ASN HA H 700 4.763 4.242 0.521 1
1 767 . 4 1 1 A 77 77 ASN CB C 700 38.005 37.860 0.145 1
1 770 . 4 1 1 A 78 78 GLN N N 701 124.719 120.209 4.510 1
1 771 . 4 1 1 A 78 78 GLN H H 701 9.480 8.491 0.989 1
1 772 . 4 1 1 A 78 78 GLN CA C 701 59.634 59.190 0.444 1
1 773 . 4 1 1 A 78 78 GLN HA H 701 3.673 3.767 -0.094 1
1 774 . 4 1 1 A 78 78 GLN CB C 701 27.114 28.551 -1.437 1
1 782 . 4 1 1 A 79 79 ARG N N 702 117.069 119.296 -2.227 1
1 783 . 4 1 1 A 79 79 ARG H H 702 7.654 7.976 -0.322 1
1 784 . 4 1 1 A 79 79 ARG CA C 702 57.561 59.830 -2.269 1
1 785 . 4 1 1 A 79 79 ARG HA H 702 4.487 4.035 0.452 1
1 786 . 4 1 1 A 79 79 ARG CB C 702 29.680 30.001 -0.321 1
1 794 . 4 1 1 A 80 80 LYS N N 703 119.251 118.775 0.476 1
1 795 . 4 1 1 A 80 80 LYS H H 703 7.636 8.209 -0.573 1
1 796 . 4 1 1 A 80 80 LYS CA C 703 60.735 59.589 1.146 1
1 797 . 4 1 1 A 80 80 LYS HA H 703 3.702 4.044 -0.342 1
1 798 . 4 1 1 A 80 80 LYS CB C 703 34.002 32.541 1.461 1
1 808 . 4 1 1 A 81 81 CYS N N 704 115.848 118.019 -2.171 1
1 809 . 4 1 1 A 81 81 CYS H H 704 8.031 8.319 -0.288 1
1 810 . 4 1 1 A 81 81 CYS CA C 704 64.823 62.989 1.834 1
1 811 . 4 1 1 A 81 81 CYS HA H 704 3.687 3.464 0.223 1
1 812 . 4 1 1 A 81 81 CYS CB C 704 26.491 26.069 0.422 1
1 815 . 4 1 1 A 82 82 GLU N N 705 118.931 119.401 -0.470 1
1 816 . 4 1 1 A 82 82 GLU H H 705 8.286 8.267 0.019 1
1 817 . 4 1 1 A 82 82 GLU CA C 705 59.887 59.441 0.446 1
1 818 . 4 1 1 A 82 82 GLU HA H 705 3.589 4.184 -0.595 1
1 819 . 4 1 1 A 82 82 GLU CB C 705 29.067 29.426 -0.359 1
1 825 . 4 1 1 A 83 83 ARG N N 706 119.029 119.829 -0.800 1
1 826 . 4 1 1 A 83 83 ARG H H 706 7.931 8.051 -0.120 1
1 827 . 4 1 1 A 83 83 ARG CA C 706 60.133 59.020 1.113 1
1 828 . 4 1 1 A 83 83 ARG HA H 706 3.748 4.141 -0.393 1
1 829 . 4 1 1 A 83 83 ARG CB C 706 30.197 30.010 0.187 1
1 838 . 4 1 1 A 84 84 VAL N N 707 119.247 119.891 -0.644 1
1 839 . 4 1 1 A 84 84 VAL H H 707 7.762 7.840 -0.078 1
1 840 . 4 1 1 A 84 84 VAL CA C 707 67.133 66.457 0.676 1
1 841 . 4 1 1 A 84 84 VAL HA H 707 3.562 3.652 -0.090 1
1 842 . 4 1 1 A 84 84 VAL CB C 707 31.857 31.485 0.372 1
1 852 . 4 1 1 A 85 85 LEU N N 708 119.414 121.246 -1.832 1
1 853 . 4 1 1 A 85 85 LEU H H 708 8.844 8.997 -0.153 1
1 854 . 4 1 1 A 85 85 LEU CA C 708 57.561 58.954 -1.393 1
1 855 . 4 1 1 A 85 85 LEU HA H 708 4.366 4.362 0.004 1
1 856 . 4 1 1 A 85 85 LEU CB C 708 41.320 42.324 -1.004 1
1 869 . 4 1 1 A 86 86 LEU N N 709 120.156 120.390 -0.234 1
1 870 . 4 1 1 A 86 86 LEU H H 709 9.044 8.024 1.020 1
1 871 . 4 1 1 A 86 86 LEU CA C 709 57.977 58.700 -0.723 1
1 872 . 4 1 1 A 86 86 LEU HA H 709 4.382 4.099 0.283 1
1 873 . 4 1 1 A 86 86 LEU CB C 709 41.069 41.767 -0.698 1
1 886 . 4 1 1 A 87 87 ALA N N 710 121.264 120.639 0.625 1
1 887 . 4 1 1 A 87 87 ALA H H 710 8.136 8.445 -0.309 1
1 888 . 4 1 1 A 87 87 ALA CA C 710 55.439 55.743 -0.304 1
1 889 . 4 1 1 A 87 87 ALA HA H 710 4.217 4.460 -0.243 1
1 890 . 4 1 1 A 87 87 ALA CB C 710 17.525 19.047 -1.522 1
1 894 . 4 1 1 A 88 88 LEU N N 711 117.148 119.913 -2.765 1
1 895 . 4 1 1 A 88 88 LEU H H 711 8.158 9.473 -1.315 1
1 896 . 4 1 1 A 88 88 LEU CA C 711 58.688 58.818 -0.130 1
1 897 . 4 1 1 A 88 88 LEU HA H 711 4.401 4.000 0.401 1
1 898 . 4 1 1 A 88 88 LEU CB C 711 41.534 42.237 -0.703 1
1 911 . 4 1 1 A 89 89 PHE N N 712 117.048 117.126 -0.078 1
1 912 . 4 1 1 A 89 89 PHE H H 712 8.536 9.012 -0.476 1
1 913 . 4 1 1 A 89 89 PHE CA C 712 62.732 60.461 2.271 1
1 914 . 4 1 1 A 89 89 PHE HA H 712 3.971 4.439 -0.468 1
1 915 . 4 1 1 A 89 89 PHE CB C 712 40.351 38.977 1.374 1
1 922 . 4 1 1 A 90 90 CYS N N 713 111.682 117.984 -6.302 1
1 923 . 4 1 1 A 90 90 CYS H H 713 7.689 8.444 -0.755 1
1 924 . 4 1 1 A 90 90 CYS CA C 713 60.573 62.803 -2.230 1
1 925 . 4 1 1 A 90 90 CYS HA H 713 4.614 4.044 0.570 1
1 926 . 4 1 1 A 90 90 CYS CB C 713 28.820 27.550 1.270 1
1 929 . 4 1 1 A 91 91 HIS N N 714 123.036 115.657 7.379 1
1 930 . 4 1 1 A 91 91 HIS H H 714 7.517 7.053 0.464 1
1 931 . 4 1 1 A 91 91 HIS CA C 714 54.945 53.793 1.152 1
1 932 . 4 1 1 A 91 91 HIS HA H 714 4.939 4.920 0.019 1
1 933 . 4 1 1 A 91 91 HIS CB C 714 31.433 32.696 -1.263 1
1 940 . 4 1 1 A 92 92 GLU CA C 715 61.506 60.750 0.756 1
1 941 . 4 1 1 A 92 92 GLU HA H 715 4.052 3.901 0.151 1
1 942 . 4 1 1 A 92 92 GLU CB C 715 26.765 29.038 -2.273 1
1 947 . 4 1 1 A 93 93 PRO CA C 716 65.272 66.544 -1.272 1
1 948 . 4 1 1 A 93 93 PRO HA H 716 4.294 4.403 -0.109 1
1 949 . 4 1 1 A 93 93 PRO CB C 716 31.486 30.853 0.633 1
1 958 . 4 1 1 A 94 94 CYS N N 717 110.309 115.170 -4.861 1
1 959 . 4 1 1 A 94 94 CYS H H 717 7.667 8.304 -0.637 1
1 960 . 4 1 1 A 94 94 CYS CA C 717 58.484 61.527 -3.043 1
1 961 . 4 1 1 A 94 94 CYS HA H 717 4.406 3.997 0.409 1
1 962 . 4 1 1 A 94 94 CYS CB C 717 28.612 27.201 1.411 1
1 965 . 4 1 1 A 95 95 ARG N N 718 122.655 121.363 1.292 1
1 966 . 4 1 1 A 95 95 ARG H H 718 7.928 8.542 -0.614 1
1 967 . 4 1 1 A 95 95 ARG CA C 718 60.829 59.601 1.228 1
1 968 . 4 1 1 A 95 95 ARG HA H 718 3.740 2.382 1.358 1
1 969 . 4 1 1 A 95 95 ARG CB C 718 28.131 28.317 -0.186 1
1 977 . 4 1 1 A 96 96 PRO CA C 719 65.328 65.576 -0.248 1
1 978 . 4 1 1 A 96 96 PRO HA H 719 4.456 4.286 0.170 1
1 979 . 4 1 1 A 96 96 PRO CB C 719 31.665 30.837 0.828 1
1 987 . 4 1 1 A 97 97 LEU N N 720 112.429 117.078 -4.649 1
1 988 . 4 1 1 A 97 97 LEU H H 720 7.720 6.927 0.793 1
1 989 . 4 1 1 A 97 97 LEU CA C 720 54.707 57.076 -2.369 1
1 990 . 4 1 1 A 97 97 LEU HA H 720 4.228 3.605 0.623 1
1 991 . 4 1 1 A 97 97 LEU CB C 720 40.391 40.909 -0.518 1
1 1004 . 4 1 1 A 98 98 HIS N N 721 118.891 117.609 1.282 1
1 1005 . 4 1 1 A 98 98 HIS H H 721 7.964 8.594 -0.630 1
1 1006 . 4 1 1 A 98 98 HIS CA C 721 60.901 58.582 2.319 1
1 1007 . 4 1 1 A 98 98 HIS HA H 721 4.190 3.756 0.434 1
1 1008 . 4 1 1 A 98 98 HIS CB C 721 31.678 29.453 2.225 1
1 1015 . 4 1 1 A 99 99 GLN N N 722 116.787 114.705 2.082 1
1 1016 . 4 1 1 A 99 99 GLN H H 722 8.090 7.674 0.416 1
1 1017 . 4 1 1 A 99 99 GLN CA C 722 55.180 54.734 0.446 1
1 1018 . 4 1 1 A 99 99 GLN HA H 722 4.808 4.577 0.231 1
1 1019 . 4 1 1 A 99 99 GLN CB C 722 30.690 29.410 1.280 1
1 1024 . 4 1 1 A 100 100 LEU H H 723 9.277 7.322 1.955 1
1 1025 . 4 1 1 A 100 100 LEU CA C 723 55.397 58.889 -3.492 1
1 1026 . 4 1 1 A 100 100 LEU HA H 723 4.566 3.910 0.656 1
1 1027 . 4 1 1 A 100 100 LEU CB C 723 43.862 41.871 1.991 1
1 1040 . 4 1 1 A 101 101 ALA N N 724 123.211 120.479 2.732 1
1 1041 . 4 1 1 A 101 101 ALA H H 724 8.577 8.021 0.556 1
1 1042 . 4 1 1 A 101 101 ALA CA C 724 52.591 51.443 1.148 1
1 1043 . 4 1 1 A 101 101 ALA HA H 724 4.392 4.397 -0.005 1
1 1044 . 4 1 1 A 101 101 ALA CB C 724 19.262 19.910 -0.648 1
1 1048 . 4 1 1 A 102 102 THR N N 725 112.189 110.612 1.577 1
1 1049 . 4 1 1 A 102 102 THR H H 725 8.069 8.281 -0.212 1
1 1050 . 4 1 1 A 102 102 THR CA C 725 61.802 60.682 1.120 1
1 1051 . 4 1 1 A 102 102 THR HA H 725 4.366 4.766 -0.400 1
1 1052 . 4 1 1 A 102 102 THR CB C 725 69.684 68.884 0.800 1
1 1058 . 4 1 1 A 103 103 ASP N N 726 121.846 123.560 -1.714 1
1 1059 . 4 1 1 A 103 103 ASP H H 726 8.195 8.238 -0.043 1
1 1060 . 4 1 1 A 103 103 ASP CA C 726 54.057 56.818 -2.761 1
1 1061 . 4 1 1 A 103 103 ASP HA H 726 4.681 4.387 0.294 1
1 1062 . 4 1 1 A 103 103 ASP CB C 726 41.228 40.150 1.078 1
1 1064 . 4 1 1 A 104 104 SER N N 727 116.230 114.166 2.064 1
1 1065 . 4 1 1 A 104 104 SER H H 727 8.260 8.157 0.103 1
1 1066 . 4 1 1 A 104 104 SER CA C 727 58.945 59.307 -0.362 1
1 1067 . 4 1 1 A 104 104 SER HA H 727 4.468 4.389 0.079 1
1 1068 . 4 1 1 A 104 104 SER CB C 727 63.856 62.742 1.114 1
1 1070 . 4 1 1 A 105 105 THR N N 728 115.362 115.420 -0.058 1
1 1071 . 4 1 1 A 105 105 THR H H 728 8.205 8.235 -0.030 1
1 1072 . 4 1 1 A 105 105 THR CA C 728 62.744 63.375 -0.631 1
1 1073 . 4 1 1 A 105 105 THR HA H 728 4.238 4.454 -0.216 1
1 1074 . 4 1 1 A 105 105 THR CB C 728 69.490 71.348 -1.858 1
1 1080 . 4 1 1 A 106 106 PHE N N 729 121.735 119.195 2.540 1
1 1081 . 4 1 1 A 106 106 PHE H H 729 8.047 7.921 0.126 1
1 1082 . 4 1 1 A 106 106 PHE CA C 729 57.966 58.031 -0.065 1
1 1083 . 4 1 1 A 106 106 PHE HA H 729 4.626 4.768 -0.142 1
1 1084 . 4 1 1 A 106 106 PHE CB C 729 39.633 40.858 -1.225 1
1 1090 . 4 1 1 A 107 107 SER N N 730 116.751 114.978 1.773 1
1 1091 . 4 1 1 A 107 107 SER H H 730 7.962 8.320 -0.358 1
1 1092 . 4 1 1 A 107 107 SER CA C 730 57.921 61.512 -3.591 1
1 1093 . 4 1 1 A 107 107 SER HA H 730 4.413 4.352 0.061 1
1 1094 . 4 1 1 A 107 107 SER CB C 730 63.659 63.031 0.628 1
1 1097 . 4 1 1 A 108 108 LEU N N 731 123.373 122.492 0.881 1
1 1098 . 4 1 1 A 108 108 LEU H H 731 8.212 7.811 0.401 1
1 1099 . 4 1 1 A 108 108 LEU CA C 731 55.650 57.104 -1.454 1
1 1100 . 4 1 1 A 108 108 LEU HA H 731 4.265 4.205 0.060 1
1 1101 . 4 1 1 A 108 108 LEU CB C 731 42.257 42.214 0.043 1
1 1113 . 4 1 1 A 109 109 ASP N N 732 118.496 118.121 0.375 1
1 1114 . 4 1 1 A 109 109 ASP H H 732 8.172 8.401 -0.229 1
1 1115 . 4 1 1 A 109 109 ASP CA C 732 54.239 53.345 0.894 1
1 1116 . 4 1 1 A 109 109 ASP HA H 732 4.566 4.872 -0.306 1
1 1117 . 4 1 1 A 109 109 ASP CB C 732 41.124 42.152 -1.028 1
1 1120 . 4 1 1 A 110 110 GLN N N 733 119.403 121.069 -1.666 1
1 1121 . 4 1 1 A 110 110 GLN H H 733 7.707 7.515 0.192 1
1 1122 . 4 1 1 A 110 110 GLN CA C 733 53.251 54.149 -0.898 1
1 1123 . 4 1 1 A 110 110 GLN HA H 733 4.675 3.965 0.710 1
1 1124 . 4 1 1 A 110 110 GLN CB C 733 29.061 29.556 -0.495 1
1 1129 . 4 1 1 A 111 111 PRO CA C 734 63.869 64.299 -0.430 1
1 1130 . 4 1 1 A 111 111 PRO HA H 734 4.435 4.162 0.273 1
1 1131 . 4 1 1 A 111 111 PRO CB C 734 31.900 31.944 -0.044 1
1 1139 . 4 1 1 A 112 112 GLY N N 735 109.783 105.925 3.858 1
1 1140 . 4 1 1 A 112 112 GLY H H 735 8.510 7.393 1.117 1
1 1141 . 4 1 1 A 112 112 GLY CA C 735 44.954 45.351 -0.397 1
1 1142 . 4 1 1 A 112 112 GLY HA3 H 735 3.903 4.074 -0.171 1
1 1143 . 4 1 1 A 112 112 GLY HA2 H 735 3.994 4.067 -0.073 1
1 1144 . 4 1 1 A 113 113 GLY N N 736 108.485 106.575 1.910 1
1 1145 . 4 1 1 A 113 113 GLY H H 736 8.138 8.248 -0.110 1
1 1146 . 4 1 1 A 113 113 GLY CA C 736 44.755 44.756 -0.001 1
1 1147 . 4 1 1 A 113 113 GLY HA3 H 736 3.899 4.014 -0.115 1
1 1148 . 4 1 1 A 113 113 GLY HA2 H 736 3.964 4.007 -0.043 1
1 1149 . 4 1 1 A 114 114 THR N N 737 116.361 114.587 1.774 1
1 1150 . 4 1 1 A 114 114 THR H H 737 7.951 8.484 -0.533 1
1 1151 . 4 1 1 A 114 114 THR CA C 737 62.508 62.510 -0.002 1
1 1152 . 4 1 1 A 114 114 THR HA H 737 4.189 4.489 -0.300 1
1 1153 . 4 1 1 A 114 114 THR CB C 737 69.780 71.048 -1.268 1
1 1159 . 4 1 1 A 115 115 LEU N N 738 125.899 120.845 5.054 1
1 1160 . 4 1 1 A 115 115 LEU H H 738 8.575 7.981 0.594 1
1 1161 . 4 1 1 A 115 115 LEU CA C 738 54.534 56.364 -1.830 1
1 1162 . 4 1 1 A 115 115 LEU HA H 738 4.452 4.367 0.085 1
1 1163 . 4 1 1 A 115 115 LEU CB C 738 45.506 40.998 4.508 1
1 1176 . 4 1 1 A 116 116 ASP N N 739 115.416 121.913 -6.497 1
1 1177 . 4 1 1 A 116 116 ASP H H 739 6.819 8.575 -1.756 1
1 1178 . 4 1 1 A 116 116 ASP CA C 739 52.606 52.970 -0.364 1
1 1179 . 4 1 1 A 116 116 ASP HA H 739 4.472 4.752 -0.280 1
1 1180 . 4 1 1 A 116 116 ASP CB C 739 42.811 42.206 0.605 1
1 1183 . 4 1 1 A 117 117 LEU N N 740 115.281 119.743 -4.462 1
1 1184 . 4 1 1 A 117 117 LEU H H 740 8.213 8.677 -0.464 1
1 1185 . 4 1 1 A 117 117 LEU CA C 740 57.750 57.685 0.065 1
1 1186 . 4 1 1 A 117 117 LEU HA H 740 3.841 3.816 0.025 1
1 1187 . 4 1 1 A 117 117 LEU CB C 740 42.005 41.329 0.676 1
1 1200 . 4 1 1 A 118 118 THR N N 741 116.995 109.738 7.257 1
1 1201 . 4 1 1 A 118 118 THR H H 741 8.152 8.119 0.033 1
1 1202 . 4 1 1 A 118 118 THR CA C 741 68.068 64.909 3.159 1
1 1203 . 4 1 1 A 118 118 THR HA H 741 4.054 4.336 -0.282 1
1 1204 . 4 1 1 A 118 118 THR CB C 741 68.392 68.795 -0.403 1
1 1210 . 4 1 1 A 119 119 LEU N N 742 127.180 123.691 3.489 1
1 1211 . 4 1 1 A 119 119 LEU H H 742 8.804 7.914 0.890 1
1 1212 . 4 1 1 A 119 119 LEU CA C 742 58.460 58.270 0.190 1
1 1213 . 4 1 1 A 119 119 LEU HA H 742 4.214 4.087 0.127 1
1 1214 . 4 1 1 A 119 119 LEU CB C 742 42.491 42.068 0.423 1
1 1227 . 4 1 1 A 120 120 ILE N N 743 120.880 119.271 1.609 1
1 1228 . 4 1 1 A 120 120 ILE H H 743 7.884 7.986 -0.102 1
1 1229 . 4 1 1 A 120 120 ILE CA C 743 65.546 65.210 0.336 1
1 1230 . 4 1 1 A 120 120 ILE HA H 743 4.101 3.504 0.597 1
1 1231 . 4 1 1 A 120 120 ILE CB C 743 38.693 37.286 1.407 1
1 1244 . 4 1 1 A 121 121 ARG N N 744 119.772 123.119 -3.347 1
1 1245 . 4 1 1 A 121 121 ARG H H 744 8.792 8.379 0.413 1
1 1246 . 4 1 1 A 121 121 ARG CA C 744 60.369 59.300 1.069 1
1 1247 . 4 1 1 A 121 121 ARG HA H 744 3.896 4.111 -0.215 1
1 1248 . 4 1 1 A 121 121 ARG CB C 744 30.241 29.878 0.363 1
1 1257 . 4 1 1 A 122 122 ALA N N 745 120.978 122.621 -1.643 1
1 1258 . 4 1 1 A 122 122 ALA H H 745 8.303 8.247 0.056 1
1 1259 . 4 1 1 A 122 122 ALA CA C 745 55.203 55.084 0.119 1
1 1260 . 4 1 1 A 122 122 ALA HA H 745 4.246 4.089 0.157 1
1 1261 . 4 1 1 A 122 122 ALA CB C 745 18.005 18.255 -0.250 1
1 1265 . 4 1 1 A 123 123 ARG N N 746 119.408 118.896 0.512 1
1 1266 . 4 1 1 A 123 123 ARG H H 746 8.224 7.345 0.879 1
1 1267 . 4 1 1 A 123 123 ARG CA C 746 59.895 58.822 1.073 1
1 1268 . 4 1 1 A 123 123 ARG HA H 746 4.335 3.892 0.443 1
1 1269 . 4 1 1 A 123 123 ARG CB C 746 29.768 29.118 0.650 1
1 1279 . 4 1 1 A 124 124 LEU N N 747 125.115 120.256 4.859 1
1 1280 . 4 1 1 A 124 124 LEU H H 747 9.029 8.078 0.951 1
1 1281 . 4 1 1 A 124 124 LEU CA C 747 57.559 57.915 -0.356 1
1 1282 . 4 1 1 A 124 124 LEU HA H 747 4.925 4.592 0.333 1
1 1283 . 4 1 1 A 124 124 LEU CB C 747 42.721 42.117 0.604 1
1 1296 . 4 1 1 A 125 125 GLN N N 748 114.117 118.091 -3.974 1
1 1297 . 4 1 1 A 125 125 GLN H H 748 8.418 8.493 -0.075 1
1 1298 . 4 1 1 A 125 125 GLN CA C 748 55.664 57.271 -1.607 1
1 1299 . 4 1 1 A 125 125 GLN HA H 748 4.444 4.670 -0.226 1
1 1300 . 4 1 1 A 125 125 GLN CB C 748 29.301 29.294 0.007 1
1 1309 . 4 1 1 A 126 126 GLU N N 749 113.381 115.617 -2.236 1
1 1310 . 4 1 1 A 126 126 GLU H H 749 7.978 7.873 0.105 1
1 1311 . 4 1 1 A 126 126 GLU CA C 749 57.789 55.698 2.091 1
1 1312 . 4 1 1 A 126 126 GLU HA H 749 4.156 4.497 -0.341 1
1 1313 . 4 1 1 A 126 126 GLU CB C 749 25.906 31.301 -5.395 1
1 1318 . 4 1 1 A 127 127 LYS N N 750 116.557 120.429 -3.872 1
1 1319 . 4 1 1 A 127 127 LYS H H 750 8.538 7.844 0.694 1
1 1320 . 4 1 1 A 127 127 LYS CA C 750 56.417 58.069 -1.652 1
1 1321 . 4 1 1 A 127 127 LYS HA H 750 4.344 4.149 0.195 1
1 1322 . 4 1 1 A 127 127 LYS CB C 750 33.029 32.866 0.163 1
1 1332 . 4 1 1 A 128 128 LEU N N 751 119.986 121.521 -1.535 1
1 1333 . 4 1 1 A 128 128 LEU H H 751 6.949 7.386 -0.437 1
1 1334 . 4 1 1 A 128 128 LEU CA C 751 53.476 52.981 0.495 1
1 1335 . 4 1 1 A 128 128 LEU HA H 751 4.532 4.433 0.099 1
1 1336 . 4 1 1 A 128 128 LEU CB C 751 45.503 43.021 2.482 1
1 1349 . 4 1 1 A 129 129 SER N N 752 118.455 115.907 2.548 1
1 1350 . 4 1 1 A 129 129 SER H H 752 8.225 8.657 -0.432 1
1 1351 . 4 1 1 A 129 129 SER CA C 752 56.129 59.273 -3.144 1
1 1352 . 4 1 1 A 129 129 SER HA H 752 4.434 4.677 -0.243 1
1 1353 . 4 1 1 A 129 129 SER CB C 752 63.911 65.143 -1.232 1
1 1356 . 4 1 1 A 130 130 PRO CA C 753 61.355 66.334 -4.979 1
1 1357 . 4 1 1 A 130 130 PRO HA H 753 5.026 4.243 0.783 1
1 1358 . 4 1 1 A 130 130 PRO CB C 753 32.831 31.041 1.790 1
1 1366 . 4 1 1 A 131 131 PRO CA C 754 62.470 62.883 -0.413 1
1 1367 . 4 1 1 A 131 131 PRO HA H 754 4.651 4.379 0.272 1
1 1368 . 4 1 1 A 131 131 PRO CB C 754 32.403 32.229 0.174 1
1 1377 . 4 1 1 A 132 132 TYR N N 755 121.321 117.210 4.111 1
1 1378 . 4 1 1 A 132 132 TYR H H 755 9.635 8.785 0.850 1
1 1379 . 4 1 1 A 132 132 TYR CA C 755 60.382 59.873 0.509 1
1 1380 . 4 1 1 A 132 132 TYR HA H 755 4.433 4.478 -0.045 1
1 1381 . 4 1 1 A 132 132 TYR CB C 755 38.713 37.333 1.380 1
1 1388 . 4 1 1 A 133 133 SER N N 756 114.917 118.626 -3.709 1
1 1389 . 4 1 1 A 133 133 SER H H 756 9.343 8.692 0.651 1
1 1390 . 4 1 1 A 133 133 SER CA C 756 58.776 58.364 0.412 1
1 1391 . 4 1 1 A 133 133 SER HA H 756 4.430 4.577 -0.147 1
1 1392 . 4 1 1 A 133 133 SER CB C 756 64.839 65.672 -0.833 1
1 1394 . 4 1 1 A 134 134 SER N N 757 112.021 114.155 -2.134 1
1 1395 . 4 1 1 A 134 134 SER H H 757 7.500 7.784 -0.284 1
1 1396 . 4 1 1 A 134 134 SER CA C 757 56.158 56.086 0.072 1
1 1397 . 4 1 1 A 134 134 SER HA H 757 4.950 4.619 0.331 1
1 1398 . 4 1 1 A 134 134 SER CB C 757 63.906 65.115 -1.209 1
1 1401 . 4 1 1 A 135 135 PRO CA C 758 64.159 65.431 -1.272 1
1 1402 . 4 1 1 A 135 135 PRO HA H 758 4.132 4.442 -0.310 1
1 1403 . 4 1 1 A 135 135 PRO CB C 758 31.649 32.020 -0.371 1
1 1412 . 4 1 1 A 136 136 GLN N N 759 116.382 116.225 0.157 1
1 1413 . 4 1 1 A 136 136 GLN H H 759 8.067 7.931 0.136 1
1 1414 . 4 1 1 A 136 136 GLN CA C 759 59.483 58.770 0.713 1
1 1415 . 4 1 1 A 136 136 GLN HA H 759 3.963 4.214 -0.251 1
1 1416 . 4 1 1 A 136 136 GLN CB C 759 27.414 28.017 -0.603 1
1 1425 . 4 1 1 A 137 137 GLU N N 760 121.764 119.724 2.040 1
1 1426 . 4 1 1 A 137 137 GLU H H 760 7.826 8.838 -1.012 1
1 1427 . 4 1 1 A 137 137 GLU CA C 760 59.184 59.432 -0.248 1
1 1428 . 4 1 1 A 137 137 GLU HA H 760 4.063 4.145 -0.082 1
1 1429 . 4 1 1 A 137 137 GLU CB C 760 30.403 29.750 0.653 1
1 1435 . 4 1 1 A 138 138 PHE N N 761 120.582 120.822 -0.240 1
1 1436 . 4 1 1 A 138 138 PHE H H 761 6.900 7.976 -1.076 1
1 1437 . 4 1 1 A 138 138 PHE CA C 761 60.105 61.801 -1.696 1
1 1438 . 4 1 1 A 138 138 PHE HA H 761 3.604 4.412 -0.808 1
1 1439 . 4 1 1 A 138 138 PHE CB C 761 38.271 39.294 -1.023 1
1 1448 . 4 1 1 A 139 139 ALA N N 762 120.917 121.829 -0.912 1
1 1449 . 4 1 1 A 139 139 ALA H H 762 8.399 9.221 -0.822 1
1 1450 . 4 1 1 A 139 139 ALA CA C 762 54.940 55.592 -0.652 1
1 1451 . 4 1 1 A 139 139 ALA HA H 762 3.804 4.408 -0.604 1
1 1452 . 4 1 1 A 139 139 ALA CB C 762 18.001 18.558 -0.557 1
1 1456 . 4 1 1 A 140 140 GLN N N 763 119.041 117.659 1.382 1
1 1457 . 4 1 1 A 140 140 GLN H H 763 8.436 8.687 -0.251 1
1 1458 . 4 1 1 A 140 140 GLN CA C 763 58.474 58.175 0.299 1
1 1459 . 4 1 1 A 140 140 GLN HA H 763 4.056 4.040 0.016 1
1 1460 . 4 1 1 A 140 140 GLN CB C 763 28.345 28.248 0.097 1
1 1469 . 4 1 1 A 141 141 ASP N N 764 122.985 119.456 3.529 1
1 1470 . 4 1 1 A 141 141 ASP H H 764 7.694 7.821 -0.127 1
1 1471 . 4 1 1 A 141 141 ASP CA C 764 57.087 56.573 0.514 1
1 1472 . 4 1 1 A 141 141 ASP HA H 764 4.517 4.486 0.031 1
1 1473 . 4 1 1 A 141 141 ASP CB C 764 39.897 40.974 -1.077 1
1 1476 . 4 1 1 A 142 142 VAL N N 765 119.630 121.268 -1.638 1
1 1477 . 4 1 1 A 142 142 VAL H H 765 7.431 7.713 -0.282 1
1 1478 . 4 1 1 A 142 142 VAL CA C 765 66.489 65.937 0.552 1
1 1479 . 4 1 1 A 142 142 VAL HA H 765 2.740 3.254 -0.514 1
1 1480 . 4 1 1 A 142 142 VAL CB C 765 30.729 30.908 -0.179 1
1 1490 . 4 1 1 A 143 143 GLY N N 766 104.089 107.181 -3.092 1
1 1491 . 4 1 1 A 143 143 GLY H H 766 8.089 8.617 -0.528 1
1 1492 . 4 1 1 A 143 143 GLY CA C 766 47.271 46.765 0.506 1
1 1493 . 4 1 1 A 143 143 GLY HA3 H 766 3.783 3.781 0.002 1
1 1494 . 4 1 1 A 143 143 GLY HA2 H 766 3.870 3.727 0.143 1
1 1495 . 4 1 1 A 144 144 ARG N N 767 123.406 122.212 1.194 1
1 1496 . 4 1 1 A 144 144 ARG H H 767 8.270 7.684 0.586 1
1 1497 . 4 1 1 A 144 144 ARG CA C 767 59.627 59.089 0.538 1
1 1498 . 4 1 1 A 144 144 ARG HA H 767 4.026 4.115 -0.089 1
1 1499 . 4 1 1 A 144 144 ARG CB C 767 30.003 30.355 -0.352 1
1 1507 . 4 1 1 A 145 145 MET N N 768 121.310 119.000 2.310 1
1 1508 . 4 1 1 A 145 145 MET H H 768 8.053 8.231 -0.178 1
1 1509 . 4 1 1 A 145 145 MET CA C 768 58.727 58.740 -0.013 1
1 1510 . 4 1 1 A 145 145 MET HA H 768 3.932 4.079 -0.147 1
1 1511 . 4 1 1 A 145 145 MET CB C 768 31.536 32.119 -0.583 1
1 1521 . 4 1 1 A 146 146 PHE N N 769 117.125 118.146 -1.021 1
1 1522 . 4 1 1 A 146 146 PHE H H 769 8.005 8.685 -0.680 1
1 1523 . 4 1 1 A 146 146 PHE CA C 769 59.441 61.172 -1.731 1
1 1524 . 4 1 1 A 146 146 PHE HA H 769 4.582 4.773 -0.191 1
1 1525 . 4 1 1 A 146 146 PHE CB C 769 37.558 38.650 -1.092 1
1 1534 . 4 1 1 A 147 147 LYS N N 770 119.226 121.043 -1.817 1
1 1535 . 4 1 1 A 147 147 LYS H H 770 8.078 8.061 0.017 1
1 1536 . 4 1 1 A 147 147 LYS CA C 770 59.479 59.539 -0.060 1
1 1537 . 4 1 1 A 147 147 LYS HA H 770 4.153 4.052 0.101 1
1 1538 . 4 1 1 A 147 147 LYS CB C 770 32.336 32.190 0.146 1
1 1547 . 4 1 1 A 148 148 GLN N N 771 118.870 118.295 0.575 1
1 1548 . 4 1 1 A 148 148 GLN H H 771 8.338 8.168 0.170 1
1 1549 . 4 1 1 A 148 148 GLN CA C 771 58.440 58.161 0.279 1
1 1550 . 4 1 1 A 148 148 GLN HA H 771 4.140 4.136 0.004 1
1 1551 . 4 1 1 A 148 148 GLN CB C 771 28.382 28.186 0.196 1
1 1560 . 4 1 1 A 149 149 PHE N N 772 120.162 121.521 -1.359 1
1 1561 . 4 1 1 A 149 149 PHE H H 772 8.411 8.693 -0.282 1
1 1562 . 4 1 1 A 149 149 PHE CA C 772 60.460 61.125 -0.665 1
1 1563 . 4 1 1 A 149 149 PHE HA H 772 4.433 4.150 0.283 1
1 1564 . 4 1 1 A 149 149 PHE CB C 772 39.428 39.436 -0.008 1
1 1573 . 4 1 1 A 150 150 ASN N N 773 117.836 117.164 0.672 1
1 1574 . 4 1 1 A 150 150 ASN H H 773 8.279 8.059 0.220 1
1 1575 . 4 1 1 A 150 150 ASN HA H 773 4.375 4.596 -0.221 1
1 1576 . 4 1 1 A 150 150 ASN CB C 773 38.977 38.460 0.517 1
1 1582 . 4 1 1 A 151 151 LYS N N 774 118.045 116.238 1.807 1
1 1583 . 4 1 1 A 151 151 LYS H H 774 7.648 7.766 -0.118 1
1 1584 . 4 1 1 A 151 151 LYS CA C 774 57.563 56.958 0.605 1
1 1585 . 4 1 1 A 151 151 LYS HA H 774 4.225 4.379 -0.154 1
1 1586 . 4 1 1 A 151 151 LYS CB C 774 32.333 33.110 -0.777 1
1 1595 . 4 1 1 A 152 152 LEU N N 775 119.031 114.392 4.639 1
1 1596 . 4 1 1 A 152 152 LEU H H 775 7.825 7.816 0.009 1
1 1597 . 4 1 1 A 152 152 LEU CA C 775 55.990 55.029 0.961 1
1 1598 . 4 1 1 A 152 152 LEU HA H 775 4.270 4.589 -0.319 1
1 1599 . 4 1 1 A 152 152 LEU CB C 775 42.487 42.617 -0.130 1
1 1612 . 4 1 1 A 153 153 THR N N 776 110.107 113.123 -3.016 1
1 1613 . 4 1 1 A 153 153 THR H H 776 7.525 8.086 -0.561 1
1 1614 . 4 1 1 A 153 153 THR CA C 776 61.535 62.773 -1.238 1
1 1615 . 4 1 1 A 153 153 THR HA H 776 4.332 4.257 0.075 1
1 1616 . 4 1 1 A 153 153 THR CB C 776 69.570 68.466 1.104 1
1 1622 . 4 1 1 A 154 154 GLU N N 777 122.427 122.949 -0.522 1
1 1623 . 4 1 1 A 154 154 GLU H H 777 8.027 8.945 -0.918 1
1 1624 . 4 1 1 A 154 154 GLU CA C 777 57.720 59.089 -1.369 1
1 1625 . 4 1 1 A 154 154 GLU HA H 777 4.216 4.020 0.196 1
1 1626 . 4 1 1 A 154 154 GLU CB C 777 29.977 28.979 0.998 1
1 1631 . 4 1 1 A 155 155 ASP N N 778 119.283 119.725 -0.442 1
1 1632 . 4 1 1 A 155 155 ASP H H 778 8.372 7.877 0.495 1
1 1633 . 4 1 1 A 155 155 ASP CA C 778 54.709 56.766 -2.057 1
1 1634 . 4 1 1 A 155 155 ASP HA H 778 4.602 4.490 0.112 1
1 1635 . 4 1 1 A 155 155 ASP CB C 778 40.600 40.854 -0.254 1
1 1638 . 4 1 1 A 156 156 LYS N N 779 120.684 118.129 2.555 1
1 1639 . 4 1 1 A 156 156 LYS H H 779 8.068 7.605 0.463 1
1 1640 . 4 1 1 A 156 156 LYS CA C 779 56.388 55.239 1.149 1
1 1641 . 4 1 1 A 156 156 LYS HA H 779 4.333 4.443 -0.110 1
1 1642 . 4 1 1 A 156 156 LYS CB C 779 32.814 33.520 -0.706 1
1 1651 . 4 1 1 A 157 157 ALA N N 780 123.182 123.049 0.133 1
1 1652 . 4 1 1 A 157 157 ALA H H 780 8.197 8.533 -0.336 1
1 1653 . 4 1 1 A 157 157 ALA CA C 780 52.591 54.212 -1.621 1
1 1654 . 4 1 1 A 157 157 ALA HA H 780 4.337 4.212 0.125 1
1 1655 . 4 1 1 A 157 157 ALA CB C 780 19.186 18.950 0.236 1
1 1659 . 4 1 1 A 158 158 ASP N N 781 118.794 113.476 5.318 1
1 1660 . 4 1 1 A 158 158 ASP H H 781 8.222 7.465 0.757 1
1 1661 . 4 1 1 A 158 158 ASP CA C 781 54.003 55.411 -1.408 1
1 1662 . 4 1 1 A 158 158 ASP HA H 781 4.673 4.716 -0.043 1
1 1663 . 4 1 1 A 158 158 ASP CB C 781 41.075 41.968 -0.893 1
1 1666 . 4 1 1 A 159 159 VAL N N 782 120.713 117.816 2.897 1
1 1667 . 4 1 1 A 159 159 VAL H H 782 8.039 8.383 -0.344 1
1 1668 . 4 1 1 A 159 159 VAL CA C 782 63.898 64.231 -0.333 1
1 1669 . 4 1 1 A 159 159 VAL HA H 782 4.028 4.019 0.009 1
1 1670 . 4 1 1 A 159 159 VAL CB C 782 32.181 32.466 -0.285 1
1 1680 . 4 1 1 A 160 160 GLN N N 783 120.756 122.199 -1.443 1
1 1681 . 4 1 1 A 160 160 GLN H H 783 8.370 8.569 -0.199 1
1 1682 . 4 1 1 A 160 160 GLN CA C 783 57.563 58.404 -0.841 1
1 1683 . 4 1 1 A 160 160 GLN HA H 783 4.219 4.021 0.198 1
1 1684 . 4 1 1 A 160 160 GLN CB C 783 28.410 28.189 0.221 1
1 1691 . 4 1 1 A 161 161 SER N N 784 116.111 114.424 1.687 1
1 1692 . 4 1 1 A 161 161 SER H H 784 8.190 7.730 0.460 1
1 1693 . 4 1 1 A 161 161 SER CA C 784 60.089 61.104 -1.015 1
1 1694 . 4 1 1 A 161 161 SER HA H 784 4.361 4.419 -0.058 1
1 1695 . 4 1 1 A 161 161 SER CB C 784 62.955 63.152 -0.197 1
1 1698 . 4 1 1 A 162 162 ILE N N 785 122.105 121.762 0.343 1
1 1699 . 4 1 1 A 162 162 ILE H H 785 8.014 8.150 -0.136 1
1 1700 . 4 1 1 A 162 162 ILE CA C 785 62.963 64.135 -1.172 1
1 1701 . 4 1 1 A 162 162 ILE HA H 785 3.986 3.751 0.235 1
1 1702 . 4 1 1 A 162 162 ILE CB C 785 37.568 36.890 0.678 1
1 1715 . 4 1 1 A 163 163 ILE N N 786 122.150 122.559 -0.409 1
1 1716 . 4 1 1 A 163 163 ILE H H 786 7.913 8.539 -0.626 1
1 1717 . 4 1 1 A 163 163 ILE CA C 786 64.074 65.232 -1.158 1
1 1718 . 4 1 1 A 163 163 ILE HA H 786 3.947 3.699 0.248 1
1 1719 . 4 1 1 A 163 163 ILE CB C 786 37.561 37.752 -0.191 1
1 1732 . 4 1 1 A 164 164 GLY N N 787 107.177 107.775 -0.598 1
1 1733 . 4 1 1 A 164 164 GLY H H 787 8.057 8.144 -0.087 1
1 1734 . 4 1 1 A 164 164 GLY CA C 787 46.938 47.122 -0.184 1
1 1735 . 4 1 1 A 164 164 GLY HA3 H 787 3.907 3.738 0.169 1
1 1736 . 4 1 1 A 164 164 GLY HA2 H 787 4.007 3.732 0.275 1
1 1737 . 4 1 1 A 165 165 LEU N N 788 123.590 123.199 0.391 1
1 1738 . 4 1 1 A 165 165 LEU H H 788 7.676 7.774 -0.098 1
1 1739 . 4 1 1 A 165 165 LEU CA C 788 57.738 57.245 0.493 1
1 1740 . 4 1 1 A 165 165 LEU HA H 788 4.052 4.360 -0.308 1
1 1741 . 4 1 1 A 165 165 LEU CB C 788 40.833 41.618 -0.785 1
1 1753 . 4 1 1 A 166 166 GLN N N 789 119.114 117.547 1.567 1
1 1754 . 4 1 1 A 166 166 GLN H H 789 7.956 8.829 -0.873 1
1 1755 . 4 1 1 A 166 166 GLN CA C 789 59.445 58.997 0.448 1
1 1756 . 4 1 1 A 166 166 GLN HA H 789 3.844 2.720 1.124 1
1 1757 . 4 1 1 A 166 166 GLN CB C 789 27.826 28.086 -0.260 1
1 1765 . 4 1 1 A 167 167 ARG N N 790 118.851 119.479 -0.628 1
1 1766 . 4 1 1 A 167 167 ARG H H 790 8.387 8.471 -0.084 1
1 1767 . 4 1 1 A 167 167 ARG CA C 790 58.942 59.243 -0.301 1
1 1768 . 4 1 1 A 167 167 ARG HA H 790 4.191 4.074 0.117 1
1 1769 . 4 1 1 A 167 167 ARG CB C 790 29.829 29.723 0.106 1
1 1776 . 4 1 1 A 168 168 PHE N N 791 122.408 120.894 1.514 1
1 1777 . 4 1 1 A 168 168 PHE H H 791 8.127 7.833 0.294 1
1 1778 . 4 1 1 A 168 168 PHE CA C 791 61.976 61.432 0.544 1
1 1779 . 4 1 1 A 168 168 PHE HA H 791 4.164 4.156 0.008 1
1 1780 . 4 1 1 A 168 168 PHE CB C 791 38.894 39.242 -0.348 1
1 1788 . 4 1 1 A 169 169 PHE N N 792 119.223 119.937 -0.714 1
1 1789 . 4 1 1 A 169 169 PHE H H 792 8.500 8.800 -0.300 1
1 1790 . 4 1 1 A 169 169 PHE CA C 792 61.093 61.681 -0.588 1
1 1791 . 4 1 1 A 169 169 PHE HA H 792 4.053 3.534 0.519 1
1 1792 . 4 1 1 A 169 169 PHE CB C 792 39.182 39.582 -0.400 1
1 1800 . 4 1 1 A 170 170 GLU N N 793 119.089 117.982 1.107 1
1 1801 . 4 1 1 A 170 170 GLU H H 793 8.718 8.174 0.544 1
1 1802 . 4 1 1 A 170 170 GLU CA C 793 59.843 59.069 0.774 1
1 1803 . 4 1 1 A 170 170 GLU HA H 793 3.483 3.715 -0.232 1
1 1804 . 4 1 1 A 170 170 GLU CB C 793 29.372 29.178 0.194 1
1 1810 . 4 1 1 A 171 171 THR N N 794 115.081 117.702 -2.621 1
1 1811 . 4 1 1 A 171 171 THR H H 794 8.205 7.889 0.316 1
1 1812 . 4 1 1 A 171 171 THR CA C 794 66.661 66.459 0.202 1
1 1813 . 4 1 1 A 171 171 THR HA H 794 3.935 3.650 0.285 1
1 1814 . 4 1 1 A 171 171 THR CB C 794 68.604 68.491 0.113 1
1 1820 . 4 1 1 A 172 172 ARG N N 795 120.165 118.479 1.686 1
1 1821 . 4 1 1 A 172 172 ARG H H 795 7.776 7.607 0.169 1
1 1822 . 4 1 1 A 172 172 ARG CA C 795 57.535 59.474 -1.939 1
1 1823 . 4 1 1 A 172 172 ARG HA H 795 4.030 3.916 0.114 1
1 1824 . 4 1 1 A 172 172 ARG CB C 795 29.886 29.814 0.072 1
1 1828 . 4 1 1 A 173 173 MET N N 796 120.347 118.943 1.404 1
1 1829 . 4 1 1 A 173 173 MET H H 796 8.503 7.963 0.540 1
1 1830 . 4 1 1 A 173 173 MET CA C 796 57.453 57.620 -0.167 1
1 1831 . 4 1 1 A 173 173 MET HA H 796 4.383 3.843 0.540 1
1 1832 . 4 1 1 A 173 173 MET CB C 796 30.469 31.391 -0.922 1
1 1840 . 4 1 1 A 174 174 ASN N N 797 119.200 117.295 1.905 1
1 1841 . 4 1 1 A 174 174 ASN H H 797 8.351 7.601 0.750 1
1 1842 . 4 1 1 A 174 174 ASN CA C 797 55.851 56.238 -0.387 1
1 1843 . 4 1 1 A 174 174 ASN HA H 797 4.510 4.230 0.280 1
1 1844 . 4 1 1 A 174 174 ASN CB C 797 38.213 38.558 -0.345 1
1 1850 . 4 1 1 A 175 175 GLU N N 798 119.589 118.858 0.731 1
1 1851 . 4 1 1 A 175 175 GLU H H 798 7.896 8.936 -1.040 1
1 1852 . 4 1 1 A 175 175 GLU CA C 798 59.033 59.184 -0.151 1
1 1853 . 4 1 1 A 175 175 GLU HA H 798 3.967 3.960 0.007 1
1 1854 . 4 1 1 A 175 175 GLU CB C 798 29.296 29.646 -0.350 1
1 1860 . 4 1 1 A 176 176 ALA N N 799 116.937 121.575 -4.638 1
1 1861 . 4 1 1 A 176 176 ALA H H 799 8.030 7.971 0.059 1
1 1862 . 4 1 1 A 176 176 ALA CA C 799 54.179 54.883 -0.704 1
1 1863 . 4 1 1 A 176 176 ALA HA H 799 4.085 4.310 -0.225 1
1 1864 . 4 1 1 A 176 176 ALA CB C 799 19.432 18.981 0.451 1
1 1868 . 4 1 1 A 177 177 PHE N N 800 112.840 113.478 -0.638 1
1 1869 . 4 1 1 A 177 177 PHE H H 800 8.544 7.798 0.746 1
1 1870 . 4 1 1 A 177 177 PHE CA C 800 59.182 58.161 1.021 1
1 1871 . 4 1 1 A 177 177 PHE HA H 800 4.515 4.510 0.005 1
1 1872 . 4 1 1 A 177 177 PHE CB C 800 39.642 38.980 0.662 1
1 1881 . 4 1 1 A 178 178 GLY N N 801 110.339 108.401 1.938 1
1 1882 . 4 1 1 A 178 178 GLY H H 801 7.974 8.065 -0.091 1
1 1883 . 4 1 1 A 178 178 GLY CA C 801 45.607 46.964 -1.357 1
1 1884 . 4 1 1 A 178 178 GLY HA3 H 801 3.988 3.937 0.051 1
1 1885 . 4 1 1 A 178 178 GLY HA2 H 801 4.031 3.927 0.104 1
1 1886 . 4 1 1 A 179 179 ASP N N 802 119.627 117.794 1.833 1
1 1887 . 4 1 1 A 179 179 ASP H H 802 8.185 8.364 -0.179 1
1 1888 . 4 1 1 A 179 179 ASP CA C 802 53.949 55.004 -1.055 1
1 1889 . 4 1 1 A 179 179 ASP HA H 802 4.679 4.835 -0.156 1
1 1890 . 4 1 1 A 179 179 ASP CB C 802 41.070 43.638 -2.568 1
1 1892 . 4 1 1 A 180 180 THR N N 803 113.769 112.196 1.573 1
1 1893 . 4 1 1 A 180 180 THR H H 803 8.037 7.889 0.148 1
1 1894 . 4 1 1 A 180 180 THR CA C 803 61.885 64.899 -3.014 1
1 1895 . 4 1 1 A 180 180 THR HA H 803 4.331 4.163 0.168 1
1 1896 . 4 1 1 A 180 180 THR CB C 803 70.002 68.965 1.037 1
1 1902 . 4 1 1 A 181 181 LYS N N 804 122.277 118.568 3.709 1
1 1903 . 4 1 1 A 181 181 LYS H H 804 8.198 8.113 0.085 1
1 1904 . 4 1 1 A 181 181 LYS CA C 804 56.652 57.489 -0.837 1
1 1905 . 4 1 1 A 181 181 LYS HA H 804 4.151 4.395 -0.244 1
1 1906 . 4 1 1 A 181 181 LYS CB C 804 32.377 30.360 2.017 1
1 1914 . 4 1 1 A 182 182 PHE N N 805 119.784 110.901 8.883 1
1 1915 . 4 1 1 A 182 182 PHE H H 805 8.206 8.307 -0.101 1
1 1916 . 4 1 1 A 182 182 PHE CA C 805 57.256 59.958 -2.702 1
1 1917 . 4 1 1 A 182 182 PHE HA H 805 4.664 4.072 0.592 1
1 1918 . 4 1 1 A 182 182 PHE CB C 805 38.774 36.679 2.095 1
1 1927 . 4 1 1 A 183 183 SER N N 806 123.742 111.688 12.054 1
1 1928 . 4 1 1 A 183 183 SER H H 806 8.121 8.232 -0.111 1
1 1929 . 4 1 1 A 183 183 SER CA C 806 58.203 58.589 -0.386 1
1 1930 . 4 1 1 A 183 183 SER HA H 806 4.361 4.509 -0.148 1
1 1931 . 4 1 1 A 183 183 SER CB C 806 63.764 63.520 0.244 1
1 1934 . 4 1 1 A 184 184 ALA N N 807 125.704 123.132 2.572 1
1 1935 . 4 1 1 A 184 184 ALA H H 807 8.286 7.941 0.345 1
1 1936 . 4 1 1 A 184 184 ALA CA C 807 52.574 51.473 1.101 1
1 1937 . 4 1 1 A 184 184 ALA HA H 807 4.360 4.603 -0.243 1
1 1938 . 4 1 1 A 184 184 ALA CB C 807 18.947 20.599 -1.652 1
1 1942 . 4 1 1 A 185 185 VAL N N 808 118.271 118.773 -0.502 1
1 1943 . 4 1 1 A 185 185 VAL H H 808 7.958 8.167 -0.209 1
1 1944 . 4 1 1 A 185 185 VAL CA C 808 62.216 63.115 -0.899 1
1 1945 . 4 1 1 A 185 185 VAL HA H 808 4.151 4.085 0.066 1
1 1946 . 4 1 1 A 185 185 VAL CB C 808 32.178 31.505 0.673 1
1 1952 . 4 1 1 A 186 186 LEU N N 809 125.280 121.185 4.095 1
1 1953 . 4 1 1 A 186 186 LEU H H 809 8.195 7.693 0.502 1
1 1954 . 4 1 1 A 186 186 LEU CA C 809 54.474 54.798 -0.324 1
1 1955 . 4 1 1 A 186 186 LEU HA H 809 4.430 4.373 0.057 1
1 1956 . 4 1 1 A 186 186 LEU CB C 809 42.303 42.102 0.201 1
1 1968 . 4 1 1 A 187 187 VAL N N 810 120.937 119.021 1.916 1
1 1969 . 4 1 1 A 187 187 VAL H H 810 7.985 7.675 0.310 1
1 1970 . 4 1 1 A 187 187 VAL CA C 810 62.004 61.467 0.537 1
1 1971 . 4 1 1 A 187 187 VAL HA H 810 4.155 4.411 -0.256 1
1 1972 . 4 1 1 A 187 187 VAL CB C 810 32.602 33.725 -1.123 1
1 1979 . 4 1 1 A 188 188 GLU N N 811 126.353 122.240 4.113 1
1 1980 . 4 1 1 A 188 188 GLU H H 811 8.292 7.748 0.544 1
1 1981 . 4 1 1 A 188 188 GLU CA C 811 54.162 53.385 0.777 1
1 1982 . 4 1 1 A 188 188 GLU HA H 811 4.609 4.706 -0.097 1
1 1983 . 4 1 1 A 188 188 GLU CB C 811 29.775 30.890 -1.115 1
1 1 . 5 1 1 A 2 2 ALA CA C 625 52.969 51.062 1.907 1
1 2 . 5 1 1 A 2 2 ALA HA H 625 4.493 4.478 0.015 1
1 3 . 5 1 1 A 2 2 ALA CB C 625 19.272 20.352 -1.080 1
1 7 . 5 1 1 A 3 3 THR N N 626 113.570 108.439 5.131 1
1 8 . 5 1 1 A 3 3 THR H H 626 8.176 8.227 -0.051 1
1 9 . 5 1 1 A 3 3 THR CA C 626 61.314 65.645 -4.331 1
1 10 . 5 1 1 A 3 3 THR HA H 626 4.298 3.967 0.331 1
1 11 . 5 1 1 A 3 3 THR CB C 626 69.270 67.169 2.101 1
1 17 . 5 1 1 A 4 4 ILE N N 627 115.272 119.329 -4.057 1
1 18 . 5 1 1 A 4 4 ILE H H 627 7.549 8.717 -1.168 1
1 19 . 5 1 1 A 4 4 ILE CA C 627 58.731 61.632 -2.901 1
1 20 . 5 1 1 A 4 4 ILE HA H 627 4.258 4.426 -0.168 1
1 21 . 5 1 1 A 4 4 ILE CB C 627 42.246 36.318 5.928 1
1 34 . 5 1 1 A 5 5 CYS N N 628 124.095 125.061 -0.966 1
1 35 . 5 1 1 A 5 5 CYS H H 628 7.766 8.410 -0.644 1
1 36 . 5 1 1 A 5 5 CYS CA C 628 57.978 58.104 -0.126 1
1 37 . 5 1 1 A 5 5 CYS HA H 628 3.781 4.210 -0.429 1
1 38 . 5 1 1 A 5 5 CYS CB C 628 31.436 26.699 4.737 1
1 41 . 5 1 1 A 6 6 ARG N N 629 129.928 127.288 2.640 1
1 42 . 5 1 1 A 6 6 ARG H H 629 9.040 8.409 0.631 1
1 43 . 5 1 1 A 6 6 ARG CA C 629 57.514 59.472 -1.958 1
1 44 . 5 1 1 A 6 6 ARG HA H 629 3.900 3.740 0.160 1
1 45 . 5 1 1 A 6 6 ARG CB C 629 30.251 29.441 0.810 1
1 54 . 5 1 1 A 7 7 VAL N N 630 118.166 118.458 -0.292 1
1 55 . 5 1 1 A 7 7 VAL H H 630 8.734 7.387 1.347 1
1 56 . 5 1 1 A 7 7 VAL CA C 630 65.770 65.348 0.422 1
1 57 . 5 1 1 A 7 7 VAL HA H 630 4.137 4.008 0.129 1
1 58 . 5 1 1 A 7 7 VAL CB C 630 33.079 31.438 1.641 1
1 68 . 5 1 1 A 8 8 CYS N N 631 116.148 119.611 -3.463 1
1 69 . 5 1 1 A 8 8 CYS H H 631 8.143 7.934 0.209 1
1 70 . 5 1 1 A 8 8 CYS CA C 631 59.154 61.085 -1.931 1
1 71 . 5 1 1 A 8 8 CYS HA H 631 5.105 4.448 0.657 1
1 72 . 5 1 1 A 8 8 CYS CB C 631 31.184 28.340 2.844 1
1 75 . 5 1 1 A 9 9 GLN N N 632 115.248 116.712 -1.464 1
1 76 . 5 1 1 A 9 9 GLN H H 632 8.132 8.762 -0.630 1
1 77 . 5 1 1 A 9 9 GLN CA C 632 57.404 57.229 0.175 1
1 78 . 5 1 1 A 9 9 GLN HA H 632 4.068 3.954 0.114 1
1 79 . 5 1 1 A 9 9 GLN CB C 632 26.002 25.928 0.074 1
1 88 . 5 1 1 A 10 10 LYS N N 633 118.420 118.638 -0.218 1
1 89 . 5 1 1 A 10 10 LYS H H 633 8.091 7.811 0.280 1
1 90 . 5 1 1 A 10 10 LYS CA C 633 53.835 52.685 1.150 1
1 91 . 5 1 1 A 10 10 LYS HA H 633 5.046 4.743 0.303 1
1 92 . 5 1 1 A 10 10 LYS CB C 633 33.312 33.757 -0.445 1
1 102 . 5 1 1 A 11 11 PRO CA C 634 62.136 63.303 -1.167 1
1 103 . 5 1 1 A 11 11 PRO HA H 634 5.056 4.508 0.548 1
1 104 . 5 1 1 A 11 11 PRO CB C 634 33.061 33.021 0.040 1
1 112 . 5 1 1 A 12 12 GLY N N 635 106.958 107.698 -0.740 1
1 113 . 5 1 1 A 12 12 GLY H H 635 8.475 8.167 0.308 1
1 114 . 5 1 1 A 12 12 GLY CA C 635 45.303 45.410 -0.107 1
1 115 . 5 1 1 A 12 12 GLY HA3 H 635 3.812 4.338 -0.526 1
1 116 . 5 1 1 A 12 12 GLY HA2 H 635 4.438 4.270 0.168 1
1 117 . 5 1 1 A 13 13 ASP N N 636 124.001 123.447 0.554 1
1 118 . 5 1 1 A 13 13 ASP H H 636 8.729 8.541 0.188 1
1 119 . 5 1 1 A 13 13 ASP CA C 636 54.239 52.909 1.330 1
1 120 . 5 1 1 A 13 13 ASP HA H 636 4.656 4.725 -0.069 1
1 121 . 5 1 1 A 13 13 ASP CB C 636 39.425 39.031 0.394 1
1 124 . 5 1 1 A 14 14 LEU N N 637 121.435 121.510 -0.075 1
1 125 . 5 1 1 A 14 14 LEU H H 637 7.849 7.506 0.343 1
1 126 . 5 1 1 A 14 14 LEU CA C 637 53.306 54.692 -1.386 1
1 127 . 5 1 1 A 14 14 LEU HA H 637 4.546 4.568 -0.022 1
1 128 . 5 1 1 A 14 14 LEU CB C 637 44.117 41.944 2.173 1
1 141 . 5 1 1 A 15 15 VAL N N 638 118.100 117.882 0.218 1
1 142 . 5 1 1 A 15 15 VAL H H 638 8.703 8.661 0.042 1
1 143 . 5 1 1 A 15 15 VAL CA C 638 59.865 60.501 -0.636 1
1 144 . 5 1 1 A 15 15 VAL HA H 638 4.383 4.922 -0.539 1
1 145 . 5 1 1 A 15 15 VAL CB C 638 33.305 33.431 -0.126 1
1 155 . 5 1 1 A 16 16 MET N N 639 125.271 126.090 -0.819 1
1 156 . 5 1 1 A 16 16 MET H H 639 8.519 9.001 -0.482 1
1 157 . 5 1 1 A 16 16 MET CA C 639 54.122 55.352 -1.230 1
1 158 . 5 1 1 A 16 16 MET HA H 639 5.210 5.614 -0.404 1
1 159 . 5 1 1 A 16 16 MET CB C 639 36.310 33.123 3.187 1
1 169 . 5 1 1 A 17 17 CYS N N 640 129.455 123.864 5.591 1
1 170 . 5 1 1 A 17 17 CYS H H 640 9.139 9.074 0.065 1
1 171 . 5 1 1 A 17 17 CYS CA C 640 59.996 60.271 -0.275 1
1 172 . 5 1 1 A 17 17 CYS HA H 640 4.658 4.432 0.226 1
1 173 . 5 1 1 A 17 17 CYS CB C 640 31.238 29.171 2.067 1
1 176 . 5 1 1 A 18 18 ASN N N 641 128.271 127.156 1.115 1
1 177 . 5 1 1 A 18 18 ASN H H 641 8.914 9.104 -0.190 1
1 178 . 5 1 1 A 18 18 ASN CA C 641 55.658 54.444 1.214 1
1 179 . 5 1 1 A 18 18 ASN HA H 641 4.584 4.770 -0.186 1
1 180 . 5 1 1 A 18 18 ASN CB C 641 38.955 38.145 0.810 1
1 186 . 5 1 1 A 19 19 GLN N N 642 121.426 117.523 3.903 1
1 187 . 5 1 1 A 19 19 GLN H H 642 9.313 7.667 1.646 1
1 188 . 5 1 1 A 19 19 GLN CA C 642 57.971 56.420 1.551 1
1 189 . 5 1 1 A 19 19 GLN HA H 642 4.502 4.468 0.034 1
1 190 . 5 1 1 A 19 19 GLN CB C 642 30.466 31.497 -1.031 1
1 197 . 5 1 1 A 20 20 CYS N N 643 120.207 116.661 3.546 1
1 198 . 5 1 1 A 20 20 CYS H H 643 8.542 7.654 0.888 1
1 199 . 5 1 1 A 20 20 CYS CA C 643 59.473 58.514 0.959 1
1 200 . 5 1 1 A 20 20 CYS HA H 643 4.663 4.741 -0.078 1
1 201 . 5 1 1 A 20 20 CYS CB C 643 31.889 28.181 3.708 1
1 204 . 5 1 1 A 21 21 GLU N N 644 114.113 117.839 -3.726 1
1 205 . 5 1 1 A 21 21 GLU H H 644 7.441 8.132 -0.691 1
1 206 . 5 1 1 A 21 21 GLU CA C 644 57.994 59.096 -1.102 1
1 207 . 5 1 1 A 21 21 GLU HA H 644 4.285 4.040 0.245 1
1 208 . 5 1 1 A 21 21 GLU CB C 644 26.843 27.635 -0.792 1
1 214 . 5 1 1 A 22 22 PHE N N 645 120.911 119.780 1.131 1
1 215 . 5 1 1 A 22 22 PHE H H 645 8.941 9.200 -0.259 1
1 216 . 5 1 1 A 22 22 PHE CA C 645 57.356 58.633 -1.277 1
1 217 . 5 1 1 A 22 22 PHE HA H 645 4.777 4.369 0.408 1
1 218 . 5 1 1 A 22 22 PHE CB C 645 38.709 37.853 0.856 1
1 226 . 5 1 1 A 23 23 CYS N N 646 115.830 123.537 -7.707 1
1 227 . 5 1 1 A 23 23 CYS H H 646 8.137 8.677 -0.540 1
1 228 . 5 1 1 A 23 23 CYS CA C 646 56.600 58.348 -1.748 1
1 229 . 5 1 1 A 23 23 CYS HA H 646 5.813 6.524 -0.711 1
1 230 . 5 1 1 A 23 23 CYS CB C 646 30.951 29.125 1.826 1
1 233 . 5 1 1 A 24 24 PHE N N 647 116.053 120.732 -4.679 1
1 234 . 5 1 1 A 24 24 PHE H H 647 9.011 8.552 0.459 1
1 235 . 5 1 1 A 24 24 PHE CA C 647 56.827 56.670 0.157 1
1 236 . 5 1 1 A 24 24 PHE HA H 647 5.910 4.856 1.054 1
1 237 . 5 1 1 A 24 24 PHE CB C 647 44.608 42.679 1.929 1
1 246 . 5 1 1 A 25 25 HIS N N 648 120.957 122.641 -1.684 1
1 247 . 5 1 1 A 25 25 HIS H H 648 8.427 9.108 -0.681 1
1 248 . 5 1 1 A 25 25 HIS CA C 648 58.971 57.039 1.932 1
1 249 . 5 1 1 A 25 25 HIS HA H 648 4.929 4.366 0.563 1
1 250 . 5 1 1 A 25 25 HIS CB C 648 31.178 29.762 1.416 1
1 257 . 5 1 1 A 26 26 LEU N N 649 123.176 117.085 6.091 1
1 258 . 5 1 1 A 26 26 LEU H H 649 9.369 7.982 1.387 1
1 259 . 5 1 1 A 26 26 LEU CA C 649 59.646 57.626 2.020 1
1 260 . 5 1 1 A 26 26 LEU HA H 649 3.829 3.810 0.019 1
1 261 . 5 1 1 A 26 26 LEU CB C 649 39.426 40.081 -0.655 1
1 274 . 5 1 1 A 27 27 ASP N N 650 109.058 119.739 -10.681 1
1 275 . 5 1 1 A 27 27 ASP H H 650 8.326 8.950 -0.624 1
1 276 . 5 1 1 A 27 27 ASP CA C 650 53.998 57.883 -3.885 1
1 277 . 5 1 1 A 27 27 ASP HA H 650 4.739 4.388 0.351 1
1 278 . 5 1 1 A 27 27 ASP CB C 650 40.331 41.724 -1.393 1
1 280 . 5 1 1 A 28 28 CYS N N 651 117.495 115.773 1.722 1
1 281 . 5 1 1 A 28 28 CYS H H 651 7.480 8.073 -0.593 1
1 282 . 5 1 1 A 28 28 CYS CA C 651 61.534 60.422 1.112 1
1 283 . 5 1 1 A 28 28 CYS HA H 651 4.245 4.421 -0.176 1
1 284 . 5 1 1 A 28 28 CYS CB C 651 31.646 28.163 3.483 1
1 286 . 5 1 1 A 29 29 HIS N N 652 116.384 121.797 -5.413 1
1 287 . 5 1 1 A 29 29 HIS H H 652 6.894 7.907 -1.013 1
1 288 . 5 1 1 A 29 29 HIS CA C 652 59.713 55.055 4.658 1
1 289 . 5 1 1 A 29 29 HIS HA H 652 3.644 4.785 -1.141 1
1 290 . 5 1 1 A 29 29 HIS CB C 652 27.909 28.549 -0.640 1
1 296 . 5 1 1 A 30 30 LEU N N 653 121.110 125.671 -4.561 1
1 297 . 5 1 1 A 30 30 LEU H H 653 4.525 8.750 -4.225 1
1 298 . 5 1 1 A 30 30 LEU CA C 653 51.439 58.055 -6.616 1
1 299 . 5 1 1 A 30 30 LEU HA H 653 4.515 3.443 1.072 1
1 300 . 5 1 1 A 30 30 LEU CB C 653 46.001 41.305 4.696 1
1 312 . 5 1 1 A 31 31 PRO CA C 654 62.964 63.495 -0.531 1
1 313 . 5 1 1 A 31 31 PRO HA H 654 4.471 4.437 0.034 1
1 314 . 5 1 1 A 31 31 PRO CB C 654 34.045 32.642 1.403 1
1 322 . 5 1 1 A 32 32 ALA N N 655 125.871 119.665 6.206 1
1 323 . 5 1 1 A 32 32 ALA H H 655 8.766 8.116 0.650 1
1 324 . 5 1 1 A 32 32 ALA CA C 655 52.771 52.942 -0.171 1
1 325 . 5 1 1 A 32 32 ALA HA H 655 4.349 5.150 -0.801 1
1 326 . 5 1 1 A 32 32 ALA CB C 655 18.177 18.131 0.046 1
1 330 . 5 1 1 A 33 33 LEU N N 656 123.348 123.172 0.176 1
1 331 . 5 1 1 A 33 33 LEU H H 656 8.230 8.802 -0.572 1
1 332 . 5 1 1 A 33 33 LEU CA C 656 54.014 55.065 -1.051 1
1 333 . 5 1 1 A 33 33 LEU HA H 656 4.445 4.435 0.010 1
1 334 . 5 1 1 A 33 33 LEU CB C 656 43.197 42.737 0.460 1
1 347 . 5 1 1 A 34 34 GLN N N 657 119.992 119.873 0.119 1
1 348 . 5 1 1 A 34 34 GLN H H 657 8.679 8.836 -0.157 1
1 349 . 5 1 1 A 34 34 GLN CA C 657 56.354 55.691 0.663 1
1 350 . 5 1 1 A 34 34 GLN HA H 657 4.159 4.680 -0.521 1
1 351 . 5 1 1 A 34 34 GLN CB C 657 29.555 31.129 -1.574 1
1 359 . 5 1 1 A 35 35 ASP N N 658 115.420 117.278 -1.858 1
1 360 . 5 1 1 A 35 35 ASP H H 658 7.457 7.772 -0.315 1
1 361 . 5 1 1 A 35 35 ASP CA C 658 51.696 53.929 -2.233 1
1 362 . 5 1 1 A 35 35 ASP HA H 658 4.626 4.727 -0.101 1
1 363 . 5 1 1 A 35 35 ASP CB C 658 43.431 43.039 0.392 1
1 366 . 5 1 1 A 36 36 VAL N N 659 122.099 124.537 -2.438 1
1 367 . 5 1 1 A 36 36 VAL H H 659 8.624 8.434 0.190 1
1 368 . 5 1 1 A 36 36 VAL CA C 659 60.994 61.230 -0.236 1
1 369 . 5 1 1 A 36 36 VAL HA H 659 3.752 3.802 -0.050 1
1 370 . 5 1 1 A 36 36 VAL CB C 659 32.087 31.509 0.578 1
1 380 . 5 1 1 A 37 37 PRO CA C 660 62.728 63.618 -0.890 1
1 381 . 5 1 1 A 37 37 PRO HA H 660 4.454 4.466 -0.012 1
1 382 . 5 1 1 A 37 37 PRO CB C 660 32.835 31.641 1.194 1
1 391 . 5 1 1 A 38 38 GLY N N 661 106.940 108.352 -1.412 1
1 392 . 5 1 1 A 38 38 GLY H H 661 8.189 8.782 -0.593 1
1 393 . 5 1 1 A 38 38 GLY CA C 661 44.397 46.877 -2.480 1
1 394 . 5 1 1 A 38 38 GLY HA3 H 661 3.969 3.949 0.020 1
1 395 . 5 1 1 A 38 38 GLY HA2 H 661 4.190 3.923 0.267 1
1 396 . 5 1 1 A 39 39 GLU N N 662 117.365 119.658 -2.293 1
1 397 . 5 1 1 A 39 39 GLU H H 662 8.281 8.891 -0.610 1
1 398 . 5 1 1 A 39 39 GLU CA C 662 57.520 59.388 -1.868 1
1 399 . 5 1 1 A 39 39 GLU HA H 662 4.281 4.129 0.152 1
1 400 . 5 1 1 A 39 39 GLU CB C 662 30.013 29.193 0.820 1
1 405 . 5 1 1 A 40 40 GLU N N 663 117.986 118.477 -0.491 1
1 406 . 5 1 1 A 40 40 GLU H H 663 8.697 8.066 0.631 1
1 407 . 5 1 1 A 40 40 GLU CA C 663 56.389 55.775 0.614 1
1 408 . 5 1 1 A 40 40 GLU HA H 663 4.293 4.615 -0.322 1
1 409 . 5 1 1 A 40 40 GLU CB C 663 28.787 30.233 -1.446 1
1 414 . 5 1 1 A 41 41 TRP N N 664 124.391 123.853 0.538 1
1 415 . 5 1 1 A 41 41 TRP H H 664 7.967 8.018 -0.051 1
1 416 . 5 1 1 A 41 41 TRP CA C 664 59.934 58.553 1.381 1
1 417 . 5 1 1 A 41 41 TRP HA H 664 4.312 4.885 -0.573 1
1 418 . 5 1 1 A 41 41 TRP CB C 664 29.998 30.483 -0.485 1
1 432 . 5 1 1 A 42 42 SER N N 665 120.355 117.441 2.914 1
1 433 . 5 1 1 A 42 42 SER H H 665 6.873 7.843 -0.970 1
1 434 . 5 1 1 A 42 42 SER CA C 665 55.166 56.921 -1.755 1
1 435 . 5 1 1 A 42 42 SER HA H 665 5.259 4.964 0.295 1
1 436 . 5 1 1 A 42 42 SER CB C 665 65.990 63.471 2.519 1
1 439 . 5 1 1 A 43 43 CYS N N 666 125.642 124.492 1.150 1
1 440 . 5 1 1 A 43 43 CYS H H 666 9.271 8.108 1.163 1
1 441 . 5 1 1 A 43 43 CYS CA C 666 57.325 59.099 -1.774 1
1 442 . 5 1 1 A 43 43 CYS HA H 666 3.952 2.579 1.373 1
1 443 . 5 1 1 A 43 43 CYS CB C 666 34.022 27.265 6.757 1
1 446 . 5 1 1 A 44 44 SER N N 667 117.158 119.765 -2.607 1
1 447 . 5 1 1 A 44 44 SER H H 667 7.068 7.921 -0.853 1
1 448 . 5 1 1 A 44 44 SER CA C 667 61.353 61.775 -0.422 1
1 449 . 5 1 1 A 44 44 SER HA H 667 4.225 4.002 0.223 1
1 450 . 5 1 1 A 44 44 SER CB C 667 63.693 63.126 0.567 1
1 453 . 5 1 1 A 45 45 LEU N N 668 120.667 120.301 0.366 1
1 454 . 5 1 1 A 45 45 LEU H H 668 8.965 7.928 1.037 1
1 455 . 5 1 1 A 45 45 LEU CA C 668 57.416 56.870 0.546 1
1 456 . 5 1 1 A 45 45 LEU HA H 668 4.178 4.081 0.097 1
1 457 . 5 1 1 A 45 45 LEU CB C 668 40.611 41.597 -0.986 1
1 470 . 5 1 1 A 46 46 CYS N N 669 121.872 116.006 5.866 1
1 471 . 5 1 1 A 46 46 CYS H H 669 7.816 8.536 -0.720 1
1 472 . 5 1 1 A 46 46 CYS CA C 669 62.557 59.305 3.252 1
1 473 . 5 1 1 A 46 46 CYS HA H 669 3.969 4.477 -0.508 1
1 474 . 5 1 1 A 46 46 CYS CB C 669 30.467 30.080 0.387 1
1 477 . 5 1 1 A 47 47 HIS N N 670 119.396 120.362 -0.966 1
1 478 . 5 1 1 A 47 47 HIS H H 670 8.077 7.797 0.280 1
1 479 . 5 1 1 A 47 47 HIS CA C 670 55.625 54.409 1.216 1
1 480 . 5 1 1 A 47 47 HIS HA H 670 4.429 4.707 -0.278 1
1 481 . 5 1 1 A 47 47 HIS CB C 670 30.326 29.970 0.356 1
1 488 . 5 1 1 A 48 48 VAL N N 671 123.528 124.137 -0.609 1
1 489 . 5 1 1 A 48 48 VAL H H 671 7.978 8.004 -0.026 1
1 490 . 5 1 1 A 48 48 VAL CA C 671 62.120 65.277 -3.157 1
1 491 . 5 1 1 A 48 48 VAL HA H 671 3.925 4.466 -0.541 1
1 492 . 5 1 1 A 48 48 VAL CB C 671 32.396 32.371 0.025 1
1 502 . 5 1 1 A 49 49 LEU N N 672 126.622 119.760 6.862 1
1 503 . 5 1 1 A 49 49 LEU H H 672 8.139 7.856 0.283 1
1 504 . 5 1 1 A 49 49 LEU CA C 672 52.859 51.265 1.594 1
1 505 . 5 1 1 A 49 49 LEU HA H 672 4.475 4.759 -0.284 1
1 506 . 5 1 1 A 49 49 LEU CB C 672 41.536 45.596 -4.060 1
1 518 . 5 1 1 A 50 50 PRO CA C 673 62.715 66.059 -3.344 1
1 519 . 5 1 1 A 50 50 PRO HA H 673 4.386 4.869 -0.483 1
1 520 . 5 1 1 A 50 50 PRO CB C 673 32.093 31.781 0.312 1
1 528 . 5 1 1 A 51 51 ASP N N 674 120.540 114.209 6.331 1
1 529 . 5 1 1 A 51 51 ASP H H 674 8.307 8.102 0.205 1
1 530 . 5 1 1 A 51 51 ASP CA C 674 54.202 54.219 -0.017 1
1 531 . 5 1 1 A 51 51 ASP HA H 674 4.564 4.840 -0.276 1
1 532 . 5 1 1 A 51 51 ASP CB C 674 41.030 43.203 -2.173 1
1 535 . 5 1 1 A 52 52 LEU N N 675 122.987 122.653 0.334 1
1 536 . 5 1 1 A 52 52 LEU H H 675 8.053 7.605 0.448 1
1 537 . 5 1 1 A 52 52 LEU CA C 675 54.945 55.669 -0.724 1
1 538 . 5 1 1 A 52 52 LEU HA H 675 4.364 4.170 0.194 1
1 539 . 5 1 1 A 52 52 LEU CB C 675 42.436 41.876 0.560 1
1 551 . 5 1 1 A 53 53 LYS N N 676 122.061 125.229 -3.168 1
1 552 . 5 1 1 A 53 53 LYS H H 676 8.340 8.614 -0.274 1
1 553 . 5 1 1 A 53 53 LYS CA C 676 56.060 56.552 -0.492 1
1 554 . 5 1 1 A 53 53 LYS HA H 676 4.331 4.203 0.128 1
1 555 . 5 1 1 A 53 53 LYS CB C 676 32.363 32.778 -0.415 1
1 564 . 5 1 1 A 54 54 GLU N N 677 121.909 116.438 5.471 1
1 565 . 5 1 1 A 54 54 GLU H H 677 8.403 7.990 0.413 1
1 566 . 5 1 1 A 54 54 GLU CA C 677 56.586 57.559 -0.973 1
1 567 . 5 1 1 A 54 54 GLU HA H 677 4.312 3.903 0.409 1
1 568 . 5 1 1 A 54 54 GLU CB C 677 30.221 27.351 2.870 1
1 573 . 5 1 1 A 55 55 GLU N N 678 121.528 117.315 4.213 1
1 574 . 5 1 1 A 55 55 GLU H H 678 8.486 7.771 0.715 1
1 575 . 5 1 1 A 55 55 GLU CA C 678 56.368 57.080 -0.712 1
1 576 . 5 1 1 A 55 55 GLU HA H 678 4.315 4.305 0.010 1
1 577 . 5 1 1 A 55 55 GLU CB C 678 28.896 29.881 -0.985 1
1 582 . 5 1 1 A 56 56 ASP N N 679 121.530 122.672 -1.142 1
1 583 . 5 1 1 A 56 56 ASP H H 679 8.322 9.101 -0.779 1
1 584 . 5 1 1 A 56 56 ASP CA C 679 54.252 54.961 -0.709 1
1 585 . 5 1 1 A 56 56 ASP HA H 679 4.680 4.369 0.311 1
1 586 . 5 1 1 A 56 56 ASP CB C 679 41.146 38.635 2.511 1
1 588 . 5 1 1 A 57 57 GLY N N 680 109.997 109.368 0.629 1
1 589 . 5 1 1 A 57 57 GLY H H 680 8.412 7.921 0.491 1
1 590 . 5 1 1 A 57 57 GLY CA C 680 45.247 46.429 -1.182 1
1 591 . 5 1 1 A 57 57 GLY HA2 H 680 4.020 3.952 0.068 1
1 592 . 5 1 1 A 58 58 SER N N 681 115.994 113.481 2.513 1
1 593 . 5 1 1 A 58 58 SER H H 681 8.280 7.768 0.512 1
1 594 . 5 1 1 A 58 58 SER CA C 681 58.239 58.019 0.220 1
1 595 . 5 1 1 A 58 58 SER HA H 681 3.996 4.673 -0.677 1
1 596 . 5 1 1 A 58 58 SER CB C 681 63.789 65.128 -1.339 1
1 598 . 5 1 1 A 59 59 LEU N N 682 123.362 121.594 1.768 1
1 599 . 5 1 1 A 59 59 LEU H H 682 8.164 8.146 0.018 1
1 600 . 5 1 1 A 59 59 LEU CA C 682 55.160 55.701 -0.541 1
1 601 . 5 1 1 A 59 59 LEU HA H 682 4.427 4.012 0.415 1
1 602 . 5 1 1 A 59 59 LEU CB C 682 42.473 40.798 1.675 1
1 614 . 5 1 1 A 60 60 SER N N 683 116.385 118.598 -2.213 1
1 615 . 5 1 1 A 60 60 SER H H 683 8.226 8.103 0.123 1
1 616 . 5 1 1 A 60 60 SER CA C 683 58.004 57.531 0.473 1
1 617 . 5 1 1 A 60 60 SER HA H 683 4.517 4.751 -0.234 1
1 618 . 5 1 1 A 60 60 SER CB C 683 63.651 64.962 -1.311 1
1 620 . 5 1 1 A 61 61 LEU N N 684 124.466 118.566 5.900 1
1 621 . 5 1 1 A 61 61 LEU H H 684 8.303 7.991 0.312 1
1 622 . 5 1 1 A 61 61 LEU CA C 684 54.959 56.166 -1.207 1
1 623 . 5 1 1 A 61 61 LEU HA H 684 4.412 3.830 0.582 1
1 624 . 5 1 1 A 61 61 LEU CB C 684 41.713 40.653 1.060 1
1 635 . 5 1 1 A 62 62 ASP N N 685 120.536 118.066 2.470 1
1 636 . 5 1 1 A 62 62 ASP H H 685 8.267 7.947 0.320 1
1 637 . 5 1 1 A 62 62 ASP CA C 685 54.276 55.528 -1.252 1
1 638 . 5 1 1 A 62 62 ASP HA H 685 4.680 4.450 0.230 1
1 639 . 5 1 1 A 62 62 ASP CB C 685 41.125 40.973 0.152 1
1 642 . 5 1 1 A 63 63 GLY N N 686 109.373 112.550 -3.177 1
1 643 . 5 1 1 A 63 63 GLY H H 686 8.277 8.734 -0.457 1
1 644 . 5 1 1 A 63 63 GLY CA C 686 45.297 47.239 -1.942 1
1 645 . 5 1 1 A 63 63 GLY HA2 H 686 3.992 3.784 0.208 1
1 646 . 5 1 1 A 64 64 ALA N N 687 123.584 124.170 -0.586 1
1 647 . 5 1 1 A 64 64 ALA H H 687 8.129 7.883 0.246 1
1 648 . 5 1 1 A 64 64 ALA CA C 687 52.637 54.958 -2.321 1
1 649 . 5 1 1 A 64 64 ALA HA H 687 4.379 4.055 0.324 1
1 650 . 5 1 1 A 64 64 ALA CB C 687 19.122 19.080 0.042 1
1 654 . 5 1 1 A 65 65 ASP N N 688 118.924 117.887 1.037 1
1 655 . 5 1 1 A 65 65 ASP H H 688 8.326 8.065 0.261 1
1 656 . 5 1 1 A 65 65 ASP CA C 688 53.972 54.810 -0.838 1
1 657 . 5 1 1 A 65 65 ASP HA H 688 4.682 4.301 0.381 1
1 658 . 5 1 1 A 65 65 ASP CB C 688 41.061 39.231 1.830 1
1 660 . 5 1 1 A 66 66 SER N N 689 116.036 119.762 -3.726 1
1 661 . 5 1 1 A 66 66 SER H H 689 8.285 7.988 0.297 1
1 662 . 5 1 1 A 66 66 SER CA C 689 58.352 60.976 -2.624 1
1 663 . 5 1 1 A 66 66 SER HA H 689 4.443 4.367 0.076 1
1 664 . 5 1 1 A 66 66 SER CB C 689 63.665 63.144 0.521 1
1 666 . 5 1 1 A 67 67 THR N N 690 115.059 111.835 3.224 1
1 667 . 5 1 1 A 67 67 THR H H 690 8.253 7.668 0.585 1
1 668 . 5 1 1 A 67 67 THR CA C 690 62.556 60.542 2.014 1
1 669 . 5 1 1 A 67 67 THR HA H 690 4.379 4.587 -0.208 1
1 670 . 5 1 1 A 67 67 THR CB C 690 69.623 70.262 -0.639 1
1 676 . 5 1 1 A 68 68 GLY N N 691 111.091 115.893 -4.802 1
1 677 . 5 1 1 A 68 68 GLY H H 691 8.366 8.538 -0.172 1
1 678 . 5 1 1 A 68 68 GLY CA C 691 45.297 45.873 -0.576 1
1 679 . 5 1 1 A 68 68 GLY HA2 H 691 4.002 3.826 0.176 1
1 680 . 5 1 1 A 69 69 VAL N N 692 119.280 119.966 -0.686 1
1 681 . 5 1 1 A 69 69 VAL H H 692 7.876 8.322 -0.446 1
1 682 . 5 1 1 A 69 69 VAL CA C 692 62.068 62.981 -0.913 1
1 683 . 5 1 1 A 69 69 VAL HA H 692 4.176 3.853 0.323 1
1 684 . 5 1 1 A 69 69 VAL CB C 692 32.322 30.259 2.063 1
1 690 . 5 1 1 A 70 70 VAL N N 693 123.601 126.504 -2.903 1
1 691 . 5 1 1 A 70 70 VAL H H 693 8.102 8.300 -0.198 1
1 692 . 5 1 1 A 70 70 VAL CA C 693 61.886 63.349 -1.463 1
1 693 . 5 1 1 A 70 70 VAL HA H 693 4.150 4.251 -0.101 1
1 694 . 5 1 1 A 70 70 VAL CB C 693 32.429 33.357 -0.928 1
1 700 . 5 1 1 A 71 71 ALA N N 694 129.048 122.093 6.955 1
1 701 . 5 1 1 A 71 71 ALA H H 694 8.374 8.062 0.312 1
1 702 . 5 1 1 A 71 71 ALA CA C 694 52.125 53.126 -1.001 1
1 703 . 5 1 1 A 71 71 ALA HA H 694 4.454 3.988 0.466 1
1 704 . 5 1 1 A 71 71 ALA CB C 694 19.203 17.571 1.632 1
1 708 . 5 1 1 A 72 72 LYS N N 695 118.535 116.823 1.712 1
1 709 . 5 1 1 A 72 72 LYS H H 695 7.833 7.821 0.012 1
1 710 . 5 1 1 A 72 72 LYS CA C 695 54.556 57.682 -3.126 1
1 711 . 5 1 1 A 72 72 LYS HA H 695 4.827 4.722 0.105 1
1 712 . 5 1 1 A 72 72 LYS CB C 695 35.245 34.686 0.559 1
1 722 . 5 1 1 A 73 73 LEU N N 696 121.834 120.876 0.958 1
1 723 . 5 1 1 A 73 73 LEU H H 696 8.772 7.971 0.801 1
1 724 . 5 1 1 A 73 73 LEU CA C 696 54.973 56.846 -1.873 1
1 725 . 5 1 1 A 73 73 LEU HA H 696 4.268 4.117 0.151 1
1 726 . 5 1 1 A 73 73 LEU CB C 696 42.467 42.985 -0.518 1
1 739 . 5 1 1 A 74 74 SER N N 697 121.120 112.050 9.070 1
1 740 . 5 1 1 A 74 74 SER H H 697 8.890 7.832 1.058 1
1 741 . 5 1 1 A 74 74 SER CA C 697 56.165 59.120 -2.955 1
1 742 . 5 1 1 A 74 74 SER HA H 697 4.710 4.597 0.113 1
1 743 . 5 1 1 A 74 74 SER CB C 697 62.177 63.449 -1.272 1
1 745 . 5 1 1 A 75 75 PRO CA C 698 66.251 65.902 0.349 1
1 746 . 5 1 1 A 75 75 PRO HA H 698 4.350 4.297 0.053 1
1 747 . 5 1 1 A 75 75 PRO CB C 698 31.661 31.483 0.178 1
1 755 . 5 1 1 A 76 76 ALA N N 699 117.914 118.773 -0.859 1
1 756 . 5 1 1 A 76 76 ALA H H 699 8.458 8.121 0.337 1
1 757 . 5 1 1 A 76 76 ALA CA C 699 55.000 55.183 -0.183 1
1 758 . 5 1 1 A 76 76 ALA HA H 699 4.132 4.021 0.111 1
1 759 . 5 1 1 A 76 76 ALA CB C 699 18.785 18.213 0.572 1
1 763 . 5 1 1 A 77 77 ASN N N 700 116.945 116.800 0.145 1
1 764 . 5 1 1 A 77 77 ASN H H 700 7.760 8.297 -0.537 1
1 765 . 5 1 1 A 77 77 ASN CA C 700 55.210 56.506 -1.296 1
1 766 . 5 1 1 A 77 77 ASN HA H 700 4.763 4.246 0.517 1
1 767 . 5 1 1 A 77 77 ASN CB C 700 38.005 37.817 0.188 1
1 770 . 5 1 1 A 78 78 GLN N N 701 124.719 119.693 5.026 1
1 771 . 5 1 1 A 78 78 GLN H H 701 9.480 8.568 0.912 1
1 772 . 5 1 1 A 78 78 GLN CA C 701 59.634 59.335 0.299 1
1 773 . 5 1 1 A 78 78 GLN HA H 701 3.673 4.047 -0.374 1
1 774 . 5 1 1 A 78 78 GLN CB C 701 27.114 27.953 -0.839 1
1 782 . 5 1 1 A 79 79 ARG N N 702 117.069 120.015 -2.946 1
1 783 . 5 1 1 A 79 79 ARG H H 702 7.654 7.720 -0.066 1
1 784 . 5 1 1 A 79 79 ARG CA C 702 57.561 58.978 -1.417 1
1 785 . 5 1 1 A 79 79 ARG HA H 702 4.487 3.940 0.547 1
1 786 . 5 1 1 A 79 79 ARG CB C 702 29.680 30.174 -0.494 1
1 794 . 5 1 1 A 80 80 LYS N N 703 119.251 118.759 0.492 1
1 795 . 5 1 1 A 80 80 LYS H H 703 7.636 8.048 -0.412 1
1 796 . 5 1 1 A 80 80 LYS CA C 703 60.735 59.357 1.378 1
1 797 . 5 1 1 A 80 80 LYS HA H 703 3.702 4.046 -0.344 1
1 798 . 5 1 1 A 80 80 LYS CB C 703 34.002 32.247 1.755 1
1 808 . 5 1 1 A 81 81 CYS N N 704 115.848 118.541 -2.693 1
1 809 . 5 1 1 A 81 81 CYS H H 704 8.031 8.048 -0.017 1
1 810 . 5 1 1 A 81 81 CYS CA C 704 64.823 61.642 3.181 1
1 811 . 5 1 1 A 81 81 CYS HA H 704 3.687 4.095 -0.408 1
1 812 . 5 1 1 A 81 81 CYS CB C 704 26.491 26.673 -0.182 1
1 815 . 5 1 1 A 82 82 GLU N N 705 118.931 120.986 -2.055 1
1 816 . 5 1 1 A 82 82 GLU H H 705 8.286 8.102 0.184 1
1 817 . 5 1 1 A 82 82 GLU CA C 705 59.887 58.938 0.949 1
1 818 . 5 1 1 A 82 82 GLU HA H 705 3.589 4.190 -0.601 1
1 819 . 5 1 1 A 82 82 GLU CB C 705 29.067 29.201 -0.134 1
1 825 . 5 1 1 A 83 83 ARG N N 706 119.029 119.957 -0.928 1
1 826 . 5 1 1 A 83 83 ARG H H 706 7.931 8.028 -0.097 1
1 827 . 5 1 1 A 83 83 ARG CA C 706 60.133 58.578 1.555 1
1 828 . 5 1 1 A 83 83 ARG HA H 706 3.748 4.211 -0.463 1
1 829 . 5 1 1 A 83 83 ARG CB C 706 30.197 29.607 0.590 1
1 838 . 5 1 1 A 84 84 VAL N N 707 119.247 118.268 0.979 1
1 839 . 5 1 1 A 84 84 VAL H H 707 7.762 7.875 -0.113 1
1 840 . 5 1 1 A 84 84 VAL CA C 707 67.133 65.482 1.651 1
1 841 . 5 1 1 A 84 84 VAL HA H 707 3.562 4.062 -0.500 1
1 842 . 5 1 1 A 84 84 VAL CB C 707 31.857 31.833 0.024 1
1 852 . 5 1 1 A 85 85 LEU N N 708 119.414 122.467 -3.053 1
1 853 . 5 1 1 A 85 85 LEU H H 708 8.844 8.543 0.301 1
1 854 . 5 1 1 A 85 85 LEU CA C 708 57.561 58.141 -0.580 1
1 855 . 5 1 1 A 85 85 LEU HA H 708 4.366 4.195 0.171 1
1 856 . 5 1 1 A 85 85 LEU CB C 708 41.320 42.084 -0.764 1
1 869 . 5 1 1 A 86 86 LEU N N 709 120.156 120.209 -0.053 1
1 870 . 5 1 1 A 86 86 LEU H H 709 9.044 7.922 1.122 1
1 871 . 5 1 1 A 86 86 LEU CA C 709 57.977 58.016 -0.039 1
1 872 . 5 1 1 A 86 86 LEU HA H 709 4.382 4.296 0.086 1
1 873 . 5 1 1 A 86 86 LEU CB C 709 41.069 41.669 -0.600 1
1 886 . 5 1 1 A 87 87 ALA N N 710 121.264 121.452 -0.188 1
1 887 . 5 1 1 A 87 87 ALA H H 710 8.136 8.370 -0.234 1
1 888 . 5 1 1 A 87 87 ALA CA C 710 55.439 55.650 -0.211 1
1 889 . 5 1 1 A 87 87 ALA HA H 710 4.217 4.598 -0.381 1
1 890 . 5 1 1 A 87 87 ALA CB C 710 17.525 18.901 -1.376 1
1 894 . 5 1 1 A 88 88 LEU N N 711 117.148 118.076 -0.928 1
1 895 . 5 1 1 A 88 88 LEU H H 711 8.158 9.215 -1.057 1
1 896 . 5 1 1 A 88 88 LEU CA C 711 58.688 58.023 0.665 1
1 897 . 5 1 1 A 88 88 LEU HA H 711 4.401 4.247 0.154 1
1 898 . 5 1 1 A 88 88 LEU CB C 711 41.534 42.111 -0.577 1
1 911 . 5 1 1 A 89 89 PHE N N 712 117.048 117.041 0.007 1
1 912 . 5 1 1 A 89 89 PHE H H 712 8.536 9.225 -0.689 1
1 913 . 5 1 1 A 89 89 PHE CA C 712 62.732 60.817 1.915 1
1 914 . 5 1 1 A 89 89 PHE HA H 712 3.971 4.858 -0.887 1
1 915 . 5 1 1 A 89 89 PHE CB C 712 40.351 38.755 1.596 1
1 922 . 5 1 1 A 90 90 CYS N N 713 111.682 118.126 -6.444 1
1 923 . 5 1 1 A 90 90 CYS H H 713 7.689 8.722 -1.033 1
1 924 . 5 1 1 A 90 90 CYS CA C 713 60.573 61.877 -1.304 1
1 925 . 5 1 1 A 90 90 CYS HA H 713 4.614 3.946 0.668 1
1 926 . 5 1 1 A 90 90 CYS CB C 713 28.820 27.532 1.288 1
1 929 . 5 1 1 A 91 91 HIS N N 714 123.036 116.834 6.202 1
1 930 . 5 1 1 A 91 91 HIS H H 714 7.517 7.816 -0.299 1
1 931 . 5 1 1 A 91 91 HIS CA C 714 54.945 53.834 1.111 1
1 932 . 5 1 1 A 91 91 HIS HA H 714 4.939 4.544 0.395 1
1 933 . 5 1 1 A 91 91 HIS CB C 714 31.433 32.422 -0.989 1
1 940 . 5 1 1 A 92 92 GLU CA C 715 61.506 60.719 0.787 1
1 941 . 5 1 1 A 92 92 GLU HA H 715 4.052 3.935 0.117 1
1 942 . 5 1 1 A 92 92 GLU CB C 715 26.765 29.304 -2.539 1
1 947 . 5 1 1 A 93 93 PRO CA C 716 65.272 66.429 -1.157 1
1 948 . 5 1 1 A 93 93 PRO HA H 716 4.294 4.272 0.022 1
1 949 . 5 1 1 A 93 93 PRO CB C 716 31.486 30.782 0.704 1
1 958 . 5 1 1 A 94 94 CYS N N 717 110.309 115.500 -5.191 1
1 959 . 5 1 1 A 94 94 CYS H H 717 7.667 8.566 -0.899 1
1 960 . 5 1 1 A 94 94 CYS CA C 717 58.484 62.296 -3.812 1
1 961 . 5 1 1 A 94 94 CYS HA H 717 4.406 4.339 0.067 1
1 962 . 5 1 1 A 94 94 CYS CB C 717 28.612 27.374 1.238 1
1 965 . 5 1 1 A 95 95 ARG N N 718 122.655 120.244 2.411 1
1 966 . 5 1 1 A 95 95 ARG H H 718 7.928 8.111 -0.183 1
1 967 . 5 1 1 A 95 95 ARG CA C 718 60.829 60.486 0.343 1
1 968 . 5 1 1 A 95 95 ARG HA H 718 3.740 2.700 1.040 1
1 969 . 5 1 1 A 95 95 ARG CB C 718 28.131 28.951 -0.820 1
1 977 . 5 1 1 A 96 96 PRO CA C 719 65.328 65.905 -0.577 1
1 978 . 5 1 1 A 96 96 PRO HA H 719 4.456 4.163 0.293 1
1 979 . 5 1 1 A 96 96 PRO CB C 719 31.665 30.652 1.013 1
1 987 . 5 1 1 A 97 97 LEU N N 720 112.429 116.568 -4.139 1
1 988 . 5 1 1 A 97 97 LEU H H 720 7.720 7.135 0.585 1
1 989 . 5 1 1 A 97 97 LEU CA C 720 54.707 57.213 -2.506 1
1 990 . 5 1 1 A 97 97 LEU HA H 720 4.228 3.658 0.570 1
1 991 . 5 1 1 A 97 97 LEU CB C 720 40.391 40.941 -0.550 1
1 1004 . 5 1 1 A 98 98 HIS N N 721 118.891 116.296 2.595 1
1 1005 . 5 1 1 A 98 98 HIS H H 721 7.964 8.535 -0.571 1
1 1006 . 5 1 1 A 98 98 HIS CA C 721 60.901 57.905 2.996 1
1 1007 . 5 1 1 A 98 98 HIS HA H 721 4.190 4.018 0.172 1
1 1008 . 5 1 1 A 98 98 HIS CB C 721 31.678 29.414 2.264 1
1 1015 . 5 1 1 A 99 99 GLN N N 722 116.787 115.863 0.924 1
1 1016 . 5 1 1 A 99 99 GLN H H 722 8.090 7.988 0.102 1
1 1017 . 5 1 1 A 99 99 GLN CA C 722 55.180 54.702 0.478 1
1 1018 . 5 1 1 A 99 99 GLN HA H 722 4.808 4.519 0.289 1
1 1019 . 5 1 1 A 99 99 GLN CB C 722 30.690 30.612 0.078 1
1 1024 . 5 1 1 A 100 100 LEU H H 723 9.277 8.572 0.705 1
1 1025 . 5 1 1 A 100 100 LEU CA C 723 55.397 55.686 -0.289 1
1 1026 . 5 1 1 A 100 100 LEU HA H 723 4.566 4.342 0.224 1
1 1027 . 5 1 1 A 100 100 LEU CB C 723 43.862 44.097 -0.235 1
1 1040 . 5 1 1 A 101 101 ALA N N 724 123.211 121.740 1.471 1
1 1041 . 5 1 1 A 101 101 ALA H H 724 8.577 7.496 1.081 1
1 1042 . 5 1 1 A 101 101 ALA CA C 724 52.591 51.290 1.301 1
1 1043 . 5 1 1 A 101 101 ALA HA H 724 4.392 4.340 0.052 1
1 1044 . 5 1 1 A 101 101 ALA CB C 724 19.262 19.933 -0.671 1
1 1048 . 5 1 1 A 102 102 THR N N 725 112.189 110.021 2.168 1
1 1049 . 5 1 1 A 102 102 THR H H 725 8.069 8.245 -0.176 1
1 1050 . 5 1 1 A 102 102 THR CA C 725 61.802 60.670 1.132 1
1 1051 . 5 1 1 A 102 102 THR HA H 725 4.366 4.636 -0.270 1
1 1052 . 5 1 1 A 102 102 THR CB C 725 69.684 69.483 0.201 1
1 1058 . 5 1 1 A 103 103 ASP N N 726 121.846 122.172 -0.326 1
1 1059 . 5 1 1 A 103 103 ASP H H 726 8.195 8.061 0.134 1
1 1060 . 5 1 1 A 103 103 ASP CA C 726 54.057 54.788 -0.731 1
1 1061 . 5 1 1 A 103 103 ASP HA H 726 4.681 4.343 0.338 1
1 1062 . 5 1 1 A 103 103 ASP CB C 726 41.228 38.571 2.657 1
1 1064 . 5 1 1 A 104 104 SER N N 727 116.230 112.420 3.810 1
1 1065 . 5 1 1 A 104 104 SER H H 727 8.260 7.904 0.356 1
1 1066 . 5 1 1 A 104 104 SER CA C 727 58.945 57.568 1.377 1
1 1067 . 5 1 1 A 104 104 SER HA H 727 4.468 4.718 -0.250 1
1 1068 . 5 1 1 A 104 104 SER CB C 727 63.856 64.538 -0.682 1
1 1070 . 5 1 1 A 105 105 THR N N 728 115.362 116.847 -1.485 1
1 1071 . 5 1 1 A 105 105 THR H H 728 8.205 8.119 0.086 1
1 1072 . 5 1 1 A 105 105 THR CA C 728 62.744 64.929 -2.185 1
1 1073 . 5 1 1 A 105 105 THR HA H 728 4.238 4.230 0.008 1
1 1074 . 5 1 1 A 105 105 THR CB C 728 69.490 69.280 0.210 1
1 1080 . 5 1 1 A 106 106 PHE N N 729 121.735 113.899 7.836 1
1 1081 . 5 1 1 A 106 106 PHE H H 729 8.047 7.871 0.176 1
1 1082 . 5 1 1 A 106 106 PHE CA C 729 57.966 57.059 0.907 1
1 1083 . 5 1 1 A 106 106 PHE HA H 729 4.626 4.789 -0.163 1
1 1084 . 5 1 1 A 106 106 PHE CB C 729 39.633 40.094 -0.461 1
1 1090 . 5 1 1 A 107 107 SER N N 730 116.751 115.687 1.064 1
1 1091 . 5 1 1 A 107 107 SER H H 730 7.962 8.116 -0.154 1
1 1092 . 5 1 1 A 107 107 SER CA C 730 57.921 60.312 -2.391 1
1 1093 . 5 1 1 A 107 107 SER HA H 730 4.413 3.966 0.447 1
1 1094 . 5 1 1 A 107 107 SER CB C 730 63.659 62.336 1.323 1
1 1097 . 5 1 1 A 108 108 LEU N N 731 123.373 122.911 0.462 1
1 1098 . 5 1 1 A 108 108 LEU H H 731 8.212 7.720 0.492 1
1 1099 . 5 1 1 A 108 108 LEU CA C 731 55.650 57.461 -1.811 1
1 1100 . 5 1 1 A 108 108 LEU HA H 731 4.265 4.215 0.050 1
1 1101 . 5 1 1 A 108 108 LEU CB C 731 42.257 42.063 0.194 1
1 1113 . 5 1 1 A 109 109 ASP N N 732 118.496 117.903 0.593 1
1 1114 . 5 1 1 A 109 109 ASP H H 732 8.172 7.915 0.257 1
1 1115 . 5 1 1 A 109 109 ASP CA C 732 54.239 53.386 0.853 1
1 1116 . 5 1 1 A 109 109 ASP HA H 732 4.566 4.856 -0.290 1
1 1117 . 5 1 1 A 109 109 ASP CB C 732 41.124 41.881 -0.757 1
1 1120 . 5 1 1 A 110 110 GLN N N 733 119.403 120.973 -1.570 1
1 1121 . 5 1 1 A 110 110 GLN H H 733 7.707 7.329 0.378 1
1 1122 . 5 1 1 A 110 110 GLN CA C 733 53.251 54.192 -0.941 1
1 1123 . 5 1 1 A 110 110 GLN HA H 733 4.675 3.925 0.750 1
1 1124 . 5 1 1 A 110 110 GLN CB C 733 29.061 29.247 -0.186 1
1 1129 . 5 1 1 A 111 111 PRO CA C 734 63.869 63.866 0.003 1
1 1130 . 5 1 1 A 111 111 PRO HA H 734 4.435 4.476 -0.041 1
1 1131 . 5 1 1 A 111 111 PRO CB C 734 31.900 32.181 -0.281 1
1 1139 . 5 1 1 A 112 112 GLY N N 735 109.783 106.778 3.005 1
1 1140 . 5 1 1 A 112 112 GLY H H 735 8.510 7.687 0.823 1
1 1141 . 5 1 1 A 112 112 GLY CA C 735 44.954 45.480 -0.526 1
1 1142 . 5 1 1 A 112 112 GLY HA3 H 735 3.903 4.040 -0.137 1
1 1143 . 5 1 1 A 112 112 GLY HA2 H 735 3.994 4.018 -0.024 1
1 1144 . 5 1 1 A 113 113 GLY N N 736 108.485 107.805 0.680 1
1 1145 . 5 1 1 A 113 113 GLY H H 736 8.138 8.153 -0.015 1
1 1146 . 5 1 1 A 113 113 GLY CA C 736 44.755 46.764 -2.009 1
1 1147 . 5 1 1 A 113 113 GLY HA3 H 736 3.899 3.780 0.119 1
1 1148 . 5 1 1 A 113 113 GLY HA2 H 736 3.964 3.734 0.230 1
1 1149 . 5 1 1 A 114 114 THR N N 737 116.361 112.832 3.529 1
1 1150 . 5 1 1 A 114 114 THR H H 737 7.951 8.086 -0.135 1
1 1151 . 5 1 1 A 114 114 THR CA C 737 62.508 62.948 -0.440 1
1 1152 . 5 1 1 A 114 114 THR HA H 737 4.189 4.452 -0.263 1
1 1153 . 5 1 1 A 114 114 THR CB C 737 69.780 71.281 -1.501 1
1 1159 . 5 1 1 A 115 115 LEU N N 738 125.899 121.888 4.011 1
1 1160 . 5 1 1 A 115 115 LEU H H 738 8.575 7.865 0.710 1
1 1161 . 5 1 1 A 115 115 LEU CA C 738 54.534 55.116 -0.582 1
1 1162 . 5 1 1 A 115 115 LEU HA H 738 4.452 4.219 0.233 1
1 1163 . 5 1 1 A 115 115 LEU CB C 738 45.506 41.794 3.712 1
1 1176 . 5 1 1 A 116 116 ASP N N 739 115.416 116.608 -1.192 1
1 1177 . 5 1 1 A 116 116 ASP H H 739 6.819 8.211 -1.392 1
1 1178 . 5 1 1 A 116 116 ASP CA C 739 52.606 53.158 -0.552 1
1 1179 . 5 1 1 A 116 116 ASP HA H 739 4.472 4.826 -0.354 1
1 1180 . 5 1 1 A 116 116 ASP CB C 739 42.811 42.581 0.230 1
1 1183 . 5 1 1 A 117 117 LEU N N 740 115.281 119.742 -4.461 1
1 1184 . 5 1 1 A 117 117 LEU H H 740 8.213 9.181 -0.968 1
1 1185 . 5 1 1 A 117 117 LEU CA C 740 57.750 57.369 0.381 1
1 1186 . 5 1 1 A 117 117 LEU HA H 740 3.841 3.896 -0.055 1
1 1187 . 5 1 1 A 117 117 LEU CB C 740 42.005 41.235 0.770 1
1 1200 . 5 1 1 A 118 118 THR N N 741 116.995 111.240 5.755 1
1 1201 . 5 1 1 A 118 118 THR H H 741 8.152 8.114 0.038 1
1 1202 . 5 1 1 A 118 118 THR CA C 741 68.068 65.371 2.697 1
1 1203 . 5 1 1 A 118 118 THR HA H 741 4.054 4.240 -0.186 1
1 1204 . 5 1 1 A 118 118 THR CB C 741 68.392 68.745 -0.353 1
1 1210 . 5 1 1 A 119 119 LEU N N 742 127.180 123.812 3.368 1
1 1211 . 5 1 1 A 119 119 LEU H H 742 8.804 8.234 0.570 1
1 1212 . 5 1 1 A 119 119 LEU CA C 742 58.460 58.302 0.158 1
1 1213 . 5 1 1 A 119 119 LEU HA H 742 4.214 3.895 0.319 1
1 1214 . 5 1 1 A 119 119 LEU CB C 742 42.491 41.992 0.499 1
1 1227 . 5 1 1 A 120 120 ILE N N 743 120.880 119.262 1.618 1
1 1228 . 5 1 1 A 120 120 ILE H H 743 7.884 8.055 -0.171 1
1 1229 . 5 1 1 A 120 120 ILE CA C 743 65.546 65.241 0.305 1
1 1230 . 5 1 1 A 120 120 ILE HA H 743 4.101 3.452 0.649 1
1 1231 . 5 1 1 A 120 120 ILE CB C 743 38.693 37.327 1.366 1
1 1244 . 5 1 1 A 121 121 ARG N N 744 119.772 121.247 -1.475 1
1 1245 . 5 1 1 A 121 121 ARG H H 744 8.792 8.522 0.270 1
1 1246 . 5 1 1 A 121 121 ARG CA C 744 60.369 59.738 0.631 1
1 1247 . 5 1 1 A 121 121 ARG HA H 744 3.896 4.021 -0.125 1
1 1248 . 5 1 1 A 121 121 ARG CB C 744 30.241 30.134 0.107 1
1 1257 . 5 1 1 A 122 122 ALA N N 745 120.978 120.844 0.134 1
1 1258 . 5 1 1 A 122 122 ALA H H 745 8.303 8.142 0.161 1
1 1259 . 5 1 1 A 122 122 ALA CA C 745 55.203 55.059 0.144 1
1 1260 . 5 1 1 A 122 122 ALA HA H 745 4.246 4.006 0.240 1
1 1261 . 5 1 1 A 122 122 ALA CB C 745 18.005 18.332 -0.327 1
1 1265 . 5 1 1 A 123 123 ARG N N 746 119.408 117.922 1.486 1
1 1266 . 5 1 1 A 123 123 ARG H H 746 8.224 7.740 0.484 1
1 1267 . 5 1 1 A 123 123 ARG CA C 746 59.895 58.974 0.921 1
1 1268 . 5 1 1 A 123 123 ARG HA H 746 4.335 3.794 0.541 1
1 1269 . 5 1 1 A 123 123 ARG CB C 746 29.768 29.550 0.218 1
1 1279 . 5 1 1 A 124 124 LEU N N 747 125.115 120.644 4.471 1
1 1280 . 5 1 1 A 124 124 LEU H H 747 9.029 7.828 1.201 1
1 1281 . 5 1 1 A 124 124 LEU CA C 747 57.559 57.507 0.052 1
1 1282 . 5 1 1 A 124 124 LEU HA H 747 4.925 3.849 1.076 1
1 1283 . 5 1 1 A 124 124 LEU CB C 747 42.721 41.726 0.995 1
1 1296 . 5 1 1 A 125 125 GLN N N 748 114.117 116.577 -2.460 1
1 1297 . 5 1 1 A 125 125 GLN H H 748 8.418 7.801 0.617 1
1 1298 . 5 1 1 A 125 125 GLN CA C 748 55.664 55.757 -0.093 1
1 1299 . 5 1 1 A 125 125 GLN HA H 748 4.444 4.306 0.138 1
1 1300 . 5 1 1 A 125 125 GLN CB C 748 29.301 29.141 0.160 1
1 1309 . 5 1 1 A 126 126 GLU N N 749 113.381 118.254 -4.873 1
1 1310 . 5 1 1 A 126 126 GLU H H 749 7.978 8.338 -0.360 1
1 1311 . 5 1 1 A 126 126 GLU CA C 749 57.789 57.816 -0.027 1
1 1312 . 5 1 1 A 126 126 GLU HA H 749 4.156 4.011 0.145 1
1 1313 . 5 1 1 A 126 126 GLU CB C 749 25.906 29.465 -3.559 1
1 1318 . 5 1 1 A 127 127 LYS N N 750 116.557 119.402 -2.845 1
1 1319 . 5 1 1 A 127 127 LYS H H 750 8.538 8.355 0.183 1
1 1320 . 5 1 1 A 127 127 LYS CA C 750 56.417 58.489 -2.072 1
1 1321 . 5 1 1 A 127 127 LYS HA H 750 4.344 4.095 0.249 1
1 1322 . 5 1 1 A 127 127 LYS CB C 750 33.029 32.231 0.798 1
1 1332 . 5 1 1 A 128 128 LEU N N 751 119.986 119.605 0.381 1
1 1333 . 5 1 1 A 128 128 LEU H H 751 6.949 7.647 -0.698 1
1 1334 . 5 1 1 A 128 128 LEU CA C 751 53.476 56.907 -3.431 1
1 1335 . 5 1 1 A 128 128 LEU HA H 751 4.532 4.242 0.290 1
1 1336 . 5 1 1 A 128 128 LEU CB C 751 45.503 42.307 3.196 1
1 1349 . 5 1 1 A 129 129 SER N N 752 118.455 110.906 7.549 1
1 1350 . 5 1 1 A 129 129 SER H H 752 8.225 8.019 0.206 1
1 1351 . 5 1 1 A 129 129 SER CA C 752 56.129 55.325 0.804 1
1 1352 . 5 1 1 A 129 129 SER HA H 752 4.434 4.951 -0.517 1
1 1353 . 5 1 1 A 129 129 SER CB C 752 63.911 65.021 -1.110 1
1 1356 . 5 1 1 A 130 130 PRO CA C 753 61.355 66.074 -4.719 1
1 1357 . 5 1 1 A 130 130 PRO HA H 753 5.026 4.344 0.682 1
1 1358 . 5 1 1 A 130 130 PRO CB C 753 32.831 31.508 1.323 1
1 1366 . 5 1 1 A 131 131 PRO CA C 754 62.470 63.380 -0.910 1
1 1367 . 5 1 1 A 131 131 PRO HA H 754 4.651 4.294 0.357 1
1 1368 . 5 1 1 A 131 131 PRO CB C 754 32.403 32.285 0.118 1
1 1377 . 5 1 1 A 132 132 TYR N N 755 121.321 117.066 4.255 1
1 1378 . 5 1 1 A 132 132 TYR H H 755 9.635 8.546 1.089 1
1 1379 . 5 1 1 A 132 132 TYR CA C 755 60.382 58.251 2.131 1
1 1380 . 5 1 1 A 132 132 TYR HA H 755 4.433 4.201 0.232 1
1 1381 . 5 1 1 A 132 132 TYR CB C 755 38.713 36.962 1.751 1
1 1388 . 5 1 1 A 133 133 SER N N 756 114.917 118.360 -3.443 1
1 1389 . 5 1 1 A 133 133 SER H H 756 9.343 8.539 0.804 1
1 1390 . 5 1 1 A 133 133 SER CA C 756 58.776 57.186 1.590 1
1 1391 . 5 1 1 A 133 133 SER HA H 756 4.430 4.822 -0.392 1
1 1392 . 5 1 1 A 133 133 SER CB C 756 64.839 64.617 0.222 1
1 1394 . 5 1 1 A 134 134 SER N N 757 112.021 112.823 -0.802 1
1 1395 . 5 1 1 A 134 134 SER H H 757 7.500 7.451 0.049 1
1 1396 . 5 1 1 A 134 134 SER CA C 757 56.158 55.786 0.372 1
1 1397 . 5 1 1 A 134 134 SER HA H 757 4.950 4.964 -0.014 1
1 1398 . 5 1 1 A 134 134 SER CB C 757 63.906 65.367 -1.461 1
1 1401 . 5 1 1 A 135 135 PRO CA C 758 64.159 65.114 -0.955 1
1 1402 . 5 1 1 A 135 135 PRO HA H 758 4.132 4.285 -0.153 1
1 1403 . 5 1 1 A 135 135 PRO CB C 758 31.649 32.160 -0.511 1
1 1412 . 5 1 1 A 136 136 GLN N N 759 116.382 117.181 -0.799 1
1 1413 . 5 1 1 A 136 136 GLN H H 759 8.067 8.340 -0.273 1
1 1414 . 5 1 1 A 136 136 GLN CA C 759 59.483 59.047 0.436 1
1 1415 . 5 1 1 A 136 136 GLN HA H 759 3.963 4.117 -0.154 1
1 1416 . 5 1 1 A 136 136 GLN CB C 759 27.414 28.053 -0.639 1
1 1425 . 5 1 1 A 137 137 GLU N N 760 121.764 119.219 2.545 1
1 1426 . 5 1 1 A 137 137 GLU H H 760 7.826 8.827 -1.001 1
1 1427 . 5 1 1 A 137 137 GLU CA C 760 59.184 59.470 -0.286 1
1 1428 . 5 1 1 A 137 137 GLU HA H 760 4.063 3.997 0.066 1
1 1429 . 5 1 1 A 137 137 GLU CB C 760 30.403 29.301 1.102 1
1 1435 . 5 1 1 A 138 138 PHE N N 761 120.582 120.661 -0.079 1
1 1436 . 5 1 1 A 138 138 PHE H H 761 6.900 8.382 -1.482 1
1 1437 . 5 1 1 A 138 138 PHE CA C 761 60.105 61.304 -1.199 1
1 1438 . 5 1 1 A 138 138 PHE HA H 761 3.604 4.440 -0.836 1
1 1439 . 5 1 1 A 138 138 PHE CB C 761 38.271 39.403 -1.132 1
1 1448 . 5 1 1 A 139 139 ALA N N 762 120.917 121.749 -0.832 1
1 1449 . 5 1 1 A 139 139 ALA H H 762 8.399 8.595 -0.196 1
1 1450 . 5 1 1 A 139 139 ALA CA C 762 54.940 54.715 0.225 1
1 1451 . 5 1 1 A 139 139 ALA HA H 762 3.804 4.665 -0.861 1
1 1452 . 5 1 1 A 139 139 ALA CB C 762 18.001 18.940 -0.939 1
1 1456 . 5 1 1 A 140 140 GLN N N 763 119.041 117.233 1.808 1
1 1457 . 5 1 1 A 140 140 GLN H H 763 8.436 8.130 0.306 1
1 1458 . 5 1 1 A 140 140 GLN CA C 763 58.474 58.027 0.447 1
1 1459 . 5 1 1 A 140 140 GLN HA H 763 4.056 4.161 -0.105 1
1 1460 . 5 1 1 A 140 140 GLN CB C 763 28.345 28.271 0.074 1
1 1469 . 5 1 1 A 141 141 ASP N N 764 122.985 120.587 2.398 1
1 1470 . 5 1 1 A 141 141 ASP H H 764 7.694 7.780 -0.086 1
1 1471 . 5 1 1 A 141 141 ASP CA C 764 57.087 57.008 0.079 1
1 1472 . 5 1 1 A 141 141 ASP HA H 764 4.517 4.422 0.095 1
1 1473 . 5 1 1 A 141 141 ASP CB C 764 39.897 41.011 -1.114 1
1 1476 . 5 1 1 A 142 142 VAL N N 765 119.630 119.445 0.185 1
1 1477 . 5 1 1 A 142 142 VAL H H 765 7.431 8.421 -0.990 1
1 1478 . 5 1 1 A 142 142 VAL CA C 765 66.489 65.597 0.892 1
1 1479 . 5 1 1 A 142 142 VAL HA H 765 2.740 3.299 -0.559 1
1 1480 . 5 1 1 A 142 142 VAL CB C 765 30.729 30.724 0.005 1
1 1490 . 5 1 1 A 143 143 GLY N N 766 104.089 107.915 -3.826 1
1 1491 . 5 1 1 A 143 143 GLY H H 766 8.089 8.217 -0.128 1
1 1492 . 5 1 1 A 143 143 GLY CA C 766 47.271 46.520 0.751 1
1 1493 . 5 1 1 A 143 143 GLY HA3 H 766 3.783 3.665 0.118 1
1 1494 . 5 1 1 A 143 143 GLY HA2 H 766 3.870 3.578 0.292 1
1 1495 . 5 1 1 A 144 144 ARG N N 767 123.406 121.202 2.204 1
1 1496 . 5 1 1 A 144 144 ARG H H 767 8.270 7.643 0.627 1
1 1497 . 5 1 1 A 144 144 ARG CA C 767 59.627 58.256 1.371 1
1 1498 . 5 1 1 A 144 144 ARG HA H 767 4.026 4.130 -0.104 1
1 1499 . 5 1 1 A 144 144 ARG CB C 767 30.003 29.915 0.088 1
1 1507 . 5 1 1 A 145 145 MET N N 768 121.310 118.670 2.640 1
1 1508 . 5 1 1 A 145 145 MET H H 768 8.053 8.512 -0.459 1
1 1509 . 5 1 1 A 145 145 MET CA C 768 58.727 59.219 -0.492 1
1 1510 . 5 1 1 A 145 145 MET HA H 768 3.932 4.008 -0.076 1
1 1511 . 5 1 1 A 145 145 MET CB C 768 31.536 31.442 0.094 1
1 1521 . 5 1 1 A 146 146 PHE N N 769 117.125 118.495 -1.370 1
1 1522 . 5 1 1 A 146 146 PHE H H 769 8.005 7.846 0.159 1
1 1523 . 5 1 1 A 146 146 PHE CA C 769 59.441 61.456 -2.015 1
1 1524 . 5 1 1 A 146 146 PHE HA H 769 4.582 4.324 0.258 1
1 1525 . 5 1 1 A 146 146 PHE CB C 769 37.558 38.771 -1.213 1
1 1534 . 5 1 1 A 147 147 LYS N N 770 119.226 118.361 0.865 1
1 1535 . 5 1 1 A 147 147 LYS H H 770 8.078 7.784 0.294 1
1 1536 . 5 1 1 A 147 147 LYS CA C 770 59.479 59.667 -0.188 1
1 1537 . 5 1 1 A 147 147 LYS HA H 770 4.153 3.940 0.213 1
1 1538 . 5 1 1 A 147 147 LYS CB C 770 32.336 32.258 0.078 1
1 1547 . 5 1 1 A 148 148 GLN N N 771 118.870 118.406 0.464 1
1 1548 . 5 1 1 A 148 148 GLN H H 771 8.338 8.437 -0.099 1
1 1549 . 5 1 1 A 148 148 GLN CA C 771 58.440 58.677 -0.237 1
1 1550 . 5 1 1 A 148 148 GLN HA H 771 4.140 4.089 0.051 1
1 1551 . 5 1 1 A 148 148 GLN CB C 771 28.382 28.449 -0.067 1
1 1560 . 5 1 1 A 149 149 PHE N N 772 120.162 120.745 -0.583 1
1 1561 . 5 1 1 A 149 149 PHE H H 772 8.411 8.425 -0.014 1
1 1562 . 5 1 1 A 149 149 PHE CA C 772 60.460 61.444 -0.984 1
1 1563 . 5 1 1 A 149 149 PHE HA H 772 4.433 4.132 0.301 1
1 1564 . 5 1 1 A 149 149 PHE CB C 772 39.428 39.238 0.190 1
1 1573 . 5 1 1 A 150 150 ASN N N 773 117.836 116.597 1.239 1
1 1574 . 5 1 1 A 150 150 ASN H H 773 8.279 8.481 -0.202 1
1 1575 . 5 1 1 A 150 150 ASN HA H 773 4.375 4.306 0.069 1
1 1576 . 5 1 1 A 150 150 ASN CB C 773 38.977 38.515 0.462 1
1 1582 . 5 1 1 A 151 151 LYS N N 774 118.045 117.023 1.022 1
1 1583 . 5 1 1 A 151 151 LYS H H 774 7.648 7.888 -0.240 1
1 1584 . 5 1 1 A 151 151 LYS CA C 774 57.563 57.831 -0.268 1
1 1585 . 5 1 1 A 151 151 LYS HA H 774 4.225 4.150 0.075 1
1 1586 . 5 1 1 A 151 151 LYS CB C 774 32.333 32.483 -0.150 1
1 1595 . 5 1 1 A 152 152 LEU N N 775 119.031 119.473 -0.442 1
1 1596 . 5 1 1 A 152 152 LEU H H 775 7.825 8.104 -0.279 1
1 1597 . 5 1 1 A 152 152 LEU CA C 775 55.990 57.792 -1.802 1
1 1598 . 5 1 1 A 152 152 LEU HA H 775 4.270 4.059 0.211 1
1 1599 . 5 1 1 A 152 152 LEU CB C 775 42.487 41.912 0.575 1
1 1612 . 5 1 1 A 153 153 THR N N 776 110.107 112.194 -2.087 1
1 1613 . 5 1 1 A 153 153 THR H H 776 7.525 8.553 -1.028 1
1 1614 . 5 1 1 A 153 153 THR CA C 776 61.535 62.458 -0.923 1
1 1615 . 5 1 1 A 153 153 THR HA H 776 4.332 3.650 0.682 1
1 1616 . 5 1 1 A 153 153 THR CB C 776 69.570 66.393 3.177 1
1 1622 . 5 1 1 A 154 154 GLU N N 777 122.427 121.894 0.533 1
1 1623 . 5 1 1 A 154 154 GLU H H 777 8.027 8.211 -0.184 1
1 1624 . 5 1 1 A 154 154 GLU CA C 777 57.720 58.605 -0.885 1
1 1625 . 5 1 1 A 154 154 GLU HA H 777 4.216 4.102 0.114 1
1 1626 . 5 1 1 A 154 154 GLU CB C 777 29.977 28.848 1.129 1
1 1631 . 5 1 1 A 155 155 ASP N N 778 119.283 118.827 0.456 1
1 1632 . 5 1 1 A 155 155 ASP H H 778 8.372 7.786 0.586 1
1 1633 . 5 1 1 A 155 155 ASP CA C 778 54.709 54.207 0.502 1
1 1634 . 5 1 1 A 155 155 ASP HA H 778 4.602 4.692 -0.090 1
1 1635 . 5 1 1 A 155 155 ASP CB C 778 40.600 42.300 -1.700 1
1 1638 . 5 1 1 A 156 156 LYS N N 779 120.684 115.845 4.839 1
1 1639 . 5 1 1 A 156 156 LYS H H 779 8.068 7.843 0.225 1
1 1640 . 5 1 1 A 156 156 LYS CA C 779 56.388 57.732 -1.344 1
1 1641 . 5 1 1 A 156 156 LYS HA H 779 4.333 3.879 0.454 1
1 1642 . 5 1 1 A 156 156 LYS CB C 779 32.814 30.129 2.685 1
1 1651 . 5 1 1 A 157 157 ALA N N 780 123.182 120.522 2.660 1
1 1652 . 5 1 1 A 157 157 ALA H H 780 8.197 7.859 0.338 1
1 1653 . 5 1 1 A 157 157 ALA CA C 780 52.591 51.749 0.842 1
1 1654 . 5 1 1 A 157 157 ALA HA H 780 4.337 4.396 -0.059 1
1 1655 . 5 1 1 A 157 157 ALA CB C 780 19.186 19.233 -0.047 1
1 1659 . 5 1 1 A 158 158 ASP N N 781 118.794 117.806 0.988 1
1 1660 . 5 1 1 A 158 158 ASP H H 781 8.222 7.897 0.325 1
1 1661 . 5 1 1 A 158 158 ASP CA C 781 54.003 54.427 -0.424 1
1 1662 . 5 1 1 A 158 158 ASP HA H 781 4.673 4.765 -0.092 1
1 1663 . 5 1 1 A 158 158 ASP CB C 781 41.075 41.848 -0.773 1
1 1666 . 5 1 1 A 159 159 VAL N N 782 120.713 119.493 1.220 1
1 1667 . 5 1 1 A 159 159 VAL H H 782 8.039 7.660 0.379 1
1 1668 . 5 1 1 A 159 159 VAL CA C 782 63.898 64.273 -0.375 1
1 1669 . 5 1 1 A 159 159 VAL HA H 782 4.028 3.783 0.245 1
1 1670 . 5 1 1 A 159 159 VAL CB C 782 32.181 31.459 0.722 1
1 1680 . 5 1 1 A 160 160 GLN N N 783 120.756 119.868 0.888 1
1 1681 . 5 1 1 A 160 160 GLN H H 783 8.370 7.717 0.653 1
1 1682 . 5 1 1 A 160 160 GLN CA C 783 57.563 55.755 1.808 1
1 1683 . 5 1 1 A 160 160 GLN HA H 783 4.219 4.383 -0.164 1
1 1684 . 5 1 1 A 160 160 GLN CB C 783 28.410 29.264 -0.854 1
1 1691 . 5 1 1 A 161 161 SER N N 784 116.111 113.630 2.481 1
1 1692 . 5 1 1 A 161 161 SER H H 784 8.190 8.283 -0.093 1
1 1693 . 5 1 1 A 161 161 SER CA C 784 60.089 61.804 -1.715 1
1 1694 . 5 1 1 A 161 161 SER HA H 784 4.361 4.380 -0.019 1
1 1695 . 5 1 1 A 161 161 SER CB C 784 62.955 63.612 -0.657 1
1 1698 . 5 1 1 A 162 162 ILE N N 785 122.105 120.756 1.349 1
1 1699 . 5 1 1 A 162 162 ILE H H 785 8.014 8.092 -0.078 1
1 1700 . 5 1 1 A 162 162 ILE CA C 785 62.963 65.169 -2.206 1
1 1701 . 5 1 1 A 162 162 ILE HA H 785 3.986 3.697 0.289 1
1 1702 . 5 1 1 A 162 162 ILE CB C 785 37.568 38.043 -0.475 1
1 1715 . 5 1 1 A 163 163 ILE N N 786 122.150 119.916 2.234 1
1 1716 . 5 1 1 A 163 163 ILE H H 786 7.913 8.132 -0.219 1
1 1717 . 5 1 1 A 163 163 ILE CA C 786 64.074 65.131 -1.057 1
1 1718 . 5 1 1 A 163 163 ILE HA H 786 3.947 3.691 0.256 1
1 1719 . 5 1 1 A 163 163 ILE CB C 786 37.561 37.979 -0.418 1
1 1732 . 5 1 1 A 164 164 GLY N N 787 107.177 108.187 -1.010 1
1 1733 . 5 1 1 A 164 164 GLY H H 787 8.057 8.266 -0.209 1
1 1734 . 5 1 1 A 164 164 GLY CA C 787 46.938 46.971 -0.033 1
1 1735 . 5 1 1 A 164 164 GLY HA3 H 787 3.907 3.812 0.095 1
1 1736 . 5 1 1 A 164 164 GLY HA2 H 787 4.007 3.782 0.225 1
1 1737 . 5 1 1 A 165 165 LEU N N 788 123.590 120.859 2.731 1
1 1738 . 5 1 1 A 165 165 LEU H H 788 7.676 8.013 -0.337 1
1 1739 . 5 1 1 A 165 165 LEU CA C 788 57.738 55.953 1.785 1
1 1740 . 5 1 1 A 165 165 LEU HA H 788 4.052 4.082 -0.030 1
1 1741 . 5 1 1 A 165 165 LEU CB C 788 40.833 41.881 -1.048 1
1 1753 . 5 1 1 A 166 166 GLN N N 789 119.114 117.221 1.893 1
1 1754 . 5 1 1 A 166 166 GLN H H 789 7.956 7.750 0.206 1
1 1755 . 5 1 1 A 166 166 GLN CA C 789 59.445 58.611 0.834 1
1 1756 . 5 1 1 A 166 166 GLN HA H 789 3.844 3.228 0.616 1
1 1757 . 5 1 1 A 166 166 GLN CB C 789 27.826 27.828 -0.002 1
1 1765 . 5 1 1 A 167 167 ARG N N 790 118.851 119.417 -0.566 1
1 1766 . 5 1 1 A 167 167 ARG H H 790 8.387 7.833 0.554 1
1 1767 . 5 1 1 A 167 167 ARG CA C 790 58.942 57.907 1.035 1
1 1768 . 5 1 1 A 167 167 ARG HA H 790 4.191 4.113 0.078 1
1 1769 . 5 1 1 A 167 167 ARG CB C 790 29.829 30.450 -0.621 1
1 1776 . 5 1 1 A 168 168 PHE N N 791 122.408 121.551 0.857 1
1 1777 . 5 1 1 A 168 168 PHE H H 791 8.127 7.866 0.261 1
1 1778 . 5 1 1 A 168 168 PHE CA C 791 61.976 61.290 0.686 1
1 1779 . 5 1 1 A 168 168 PHE HA H 791 4.164 4.219 -0.055 1
1 1780 . 5 1 1 A 168 168 PHE CB C 791 38.894 38.931 -0.037 1
1 1788 . 5 1 1 A 169 169 PHE N N 792 119.223 120.397 -1.174 1
1 1789 . 5 1 1 A 169 169 PHE H H 792 8.500 9.033 -0.533 1
1 1790 . 5 1 1 A 169 169 PHE CA C 792 61.093 62.383 -1.290 1
1 1791 . 5 1 1 A 169 169 PHE HA H 792 4.053 4.447 -0.394 1
1 1792 . 5 1 1 A 169 169 PHE CB C 792 39.182 39.471 -0.289 1
1 1800 . 5 1 1 A 170 170 GLU N N 793 119.089 118.351 0.738 1
1 1801 . 5 1 1 A 170 170 GLU H H 793 8.718 8.345 0.373 1
1 1802 . 5 1 1 A 170 170 GLU CA C 793 59.843 59.308 0.535 1
1 1803 . 5 1 1 A 170 170 GLU HA H 793 3.483 3.711 -0.228 1
1 1804 . 5 1 1 A 170 170 GLU CB C 793 29.372 29.176 0.196 1
1 1810 . 5 1 1 A 171 171 THR N N 794 115.081 117.884 -2.803 1
1 1811 . 5 1 1 A 171 171 THR H H 794 8.205 7.963 0.242 1
1 1812 . 5 1 1 A 171 171 THR CA C 794 66.661 66.894 -0.233 1
1 1813 . 5 1 1 A 171 171 THR HA H 794 3.935 3.641 0.294 1
1 1814 . 5 1 1 A 171 171 THR CB C 794 68.604 68.297 0.307 1
1 1820 . 5 1 1 A 172 172 ARG N N 795 120.165 119.221 0.944 1
1 1821 . 5 1 1 A 172 172 ARG H H 795 7.776 7.796 -0.020 1
1 1822 . 5 1 1 A 172 172 ARG CA C 795 57.535 59.509 -1.974 1
1 1823 . 5 1 1 A 172 172 ARG HA H 795 4.030 4.224 -0.194 1
1 1824 . 5 1 1 A 172 172 ARG CB C 795 29.886 30.401 -0.515 1
1 1828 . 5 1 1 A 173 173 MET N N 796 120.347 119.093 1.254 1
1 1829 . 5 1 1 A 173 173 MET H H 796 8.503 8.177 0.326 1
1 1830 . 5 1 1 A 173 173 MET CA C 796 57.453 58.060 -0.607 1
1 1831 . 5 1 1 A 173 173 MET HA H 796 4.383 4.227 0.156 1
1 1832 . 5 1 1 A 173 173 MET CB C 796 30.469 32.285 -1.816 1
1 1840 . 5 1 1 A 174 174 ASN N N 797 119.200 117.236 1.964 1
1 1841 . 5 1 1 A 174 174 ASN H H 797 8.351 7.422 0.929 1
1 1842 . 5 1 1 A 174 174 ASN CA C 797 55.851 55.807 0.044 1
1 1843 . 5 1 1 A 174 174 ASN HA H 797 4.510 4.782 -0.272 1
1 1844 . 5 1 1 A 174 174 ASN CB C 797 38.213 39.369 -1.156 1
1 1850 . 5 1 1 A 175 175 GLU N N 798 119.589 118.763 0.826 1
1 1851 . 5 1 1 A 175 175 GLU H H 798 7.896 8.841 -0.945 1
1 1852 . 5 1 1 A 175 175 GLU CA C 798 59.033 59.252 -0.219 1
1 1853 . 5 1 1 A 175 175 GLU HA H 798 3.967 4.088 -0.121 1
1 1854 . 5 1 1 A 175 175 GLU CB C 798 29.296 29.750 -0.454 1
1 1860 . 5 1 1 A 176 176 ALA N N 799 116.937 121.748 -4.811 1
1 1861 . 5 1 1 A 176 176 ALA H H 799 8.030 8.012 0.018 1
1 1862 . 5 1 1 A 176 176 ALA CA C 799 54.179 54.209 -0.030 1
1 1863 . 5 1 1 A 176 176 ALA HA H 799 4.085 4.357 -0.272 1
1 1864 . 5 1 1 A 176 176 ALA CB C 799 19.432 19.346 0.086 1
1 1868 . 5 1 1 A 177 177 PHE N N 800 112.840 114.673 -1.833 1
1 1869 . 5 1 1 A 177 177 PHE H H 800 8.544 7.768 0.776 1
1 1870 . 5 1 1 A 177 177 PHE CA C 800 59.182 58.198 0.984 1
1 1871 . 5 1 1 A 177 177 PHE HA H 800 4.515 4.586 -0.071 1
1 1872 . 5 1 1 A 177 177 PHE CB C 800 39.642 38.258 1.384 1
1 1881 . 5 1 1 A 178 178 GLY N N 801 110.339 106.790 3.549 1
1 1882 . 5 1 1 A 178 178 GLY H H 801 7.974 7.584 0.390 1
1 1883 . 5 1 1 A 178 178 GLY CA C 801 45.607 46.219 -0.612 1
1 1884 . 5 1 1 A 178 178 GLY HA3 H 801 3.988 4.107 -0.119 1
1 1885 . 5 1 1 A 178 178 GLY HA2 H 801 4.031 4.093 -0.062 1
1 1886 . 5 1 1 A 179 179 ASP N N 802 119.627 117.709 1.918 1
1 1887 . 5 1 1 A 179 179 ASP H H 802 8.185 7.723 0.462 1
1 1888 . 5 1 1 A 179 179 ASP CA C 802 53.949 55.300 -1.351 1
1 1889 . 5 1 1 A 179 179 ASP HA H 802 4.679 4.912 -0.233 1
1 1890 . 5 1 1 A 179 179 ASP CB C 802 41.070 42.654 -1.584 1
1 1892 . 5 1 1 A 180 180 THR N N 803 113.769 111.838 1.931 1
1 1893 . 5 1 1 A 180 180 THR H H 803 8.037 7.684 0.353 1
1 1894 . 5 1 1 A 180 180 THR CA C 803 61.885 61.572 0.313 1
1 1895 . 5 1 1 A 180 180 THR HA H 803 4.331 4.652 -0.321 1
1 1896 . 5 1 1 A 180 180 THR CB C 803 70.002 69.078 0.924 1
1 1902 . 5 1 1 A 181 181 LYS N N 804 122.277 126.247 -3.970 1
1 1903 . 5 1 1 A 181 181 LYS H H 804 8.198 8.235 -0.037 1
1 1904 . 5 1 1 A 181 181 LYS CA C 804 56.652 58.604 -1.952 1
1 1905 . 5 1 1 A 181 181 LYS HA H 804 4.151 4.300 -0.149 1
1 1906 . 5 1 1 A 181 181 LYS CB C 804 32.377 31.872 0.505 1
1 1914 . 5 1 1 A 182 182 PHE N N 805 119.784 118.874 0.910 1
1 1915 . 5 1 1 A 182 182 PHE H H 805 8.206 8.248 -0.042 1
1 1916 . 5 1 1 A 182 182 PHE CA C 805 57.256 60.646 -3.390 1
1 1917 . 5 1 1 A 182 182 PHE HA H 805 4.664 4.197 0.467 1
1 1918 . 5 1 1 A 182 182 PHE CB C 805 38.774 39.247 -0.473 1
1 1927 . 5 1 1 A 183 183 SER N N 806 123.742 112.431 11.311 1
1 1928 . 5 1 1 A 183 183 SER H H 806 8.121 8.110 0.011 1
1 1929 . 5 1 1 A 183 183 SER CA C 806 58.203 60.521 -2.318 1
1 1930 . 5 1 1 A 183 183 SER HA H 806 4.361 4.384 -0.023 1
1 1931 . 5 1 1 A 183 183 SER CB C 806 63.764 63.357 0.407 1
1 1934 . 5 1 1 A 184 184 ALA N N 807 125.704 123.988 1.716 1
1 1935 . 5 1 1 A 184 184 ALA H H 807 8.286 7.641 0.645 1
1 1936 . 5 1 1 A 184 184 ALA CA C 807 52.574 51.438 1.136 1
1 1937 . 5 1 1 A 184 184 ALA HA H 807 4.360 4.384 -0.024 1
1 1938 . 5 1 1 A 184 184 ALA CB C 807 18.947 19.105 -0.158 1
1 1942 . 5 1 1 A 185 185 VAL N N 808 118.271 118.336 -0.065 1
1 1943 . 5 1 1 A 185 185 VAL H H 808 7.958 8.478 -0.520 1
1 1944 . 5 1 1 A 185 185 VAL CA C 808 62.216 61.126 1.090 1
1 1945 . 5 1 1 A 185 185 VAL HA H 808 4.151 4.721 -0.570 1
1 1946 . 5 1 1 A 185 185 VAL CB C 808 32.178 32.504 -0.326 1
1 1952 . 5 1 1 A 186 186 LEU N N 809 125.280 120.475 4.805 1
1 1953 . 5 1 1 A 186 186 LEU H H 809 8.195 7.709 0.486 1
1 1954 . 5 1 1 A 186 186 LEU CA C 809 54.474 55.032 -0.558 1
1 1955 . 5 1 1 A 186 186 LEU HA H 809 4.430 4.349 0.081 1
1 1956 . 5 1 1 A 186 186 LEU CB C 809 42.303 41.979 0.324 1
1 1968 . 5 1 1 A 187 187 VAL N N 810 120.937 118.860 2.077 1
1 1969 . 5 1 1 A 187 187 VAL H H 810 7.985 7.836 0.149 1
1 1970 . 5 1 1 A 187 187 VAL CA C 810 62.004 61.079 0.925 1
1 1971 . 5 1 1 A 187 187 VAL HA H 810 4.155 4.414 -0.259 1
1 1972 . 5 1 1 A 187 187 VAL CB C 810 32.602 32.943 -0.341 1
1 1979 . 5 1 1 A 188 188 GLU N N 811 126.353 122.576 3.777 1
1 1980 . 5 1 1 A 188 188 GLU H H 811 8.292 7.496 0.796 1
1 1981 . 5 1 1 A 188 188 GLU CA C 811 54.162 55.289 -1.127 1
1 1982 . 5 1 1 A 188 188 GLU HA H 811 4.609 4.348 0.261 1
1 1983 . 5 1 1 A 188 188 GLU CB C 811 29.775 29.771 0.004 1
1 1 . 6 1 1 A 2 2 ALA CA C 625 52.969 54.127 -1.158 1
1 2 . 6 1 1 A 2 2 ALA HA H 625 4.493 4.084 0.409 1
1 3 . 6 1 1 A 2 2 ALA CB C 625 19.272 18.248 1.024 1
1 7 . 6 1 1 A 3 3 THR N N 626 113.570 114.548 -0.978 1
1 8 . 6 1 1 A 3 3 THR H H 626 8.176 8.545 -0.369 1
1 9 . 6 1 1 A 3 3 THR CA C 626 61.314 66.936 -5.622 1
1 10 . 6 1 1 A 3 3 THR HA H 626 4.298 3.907 0.391 1
1 11 . 6 1 1 A 3 3 THR CB C 626 69.270 68.886 0.384 1
1 17 . 6 1 1 A 4 4 ILE N N 627 115.272 118.780 -3.508 1
1 18 . 6 1 1 A 4 4 ILE H H 627 7.549 7.889 -0.340 1
1 19 . 6 1 1 A 4 4 ILE CA C 627 58.731 61.716 -2.985 1
1 20 . 6 1 1 A 4 4 ILE HA H 627 4.258 3.840 0.418 1
1 21 . 6 1 1 A 4 4 ILE CB C 627 42.246 36.153 6.093 1
1 34 . 6 1 1 A 5 5 CYS N N 628 124.095 125.582 -1.487 1
1 35 . 6 1 1 A 5 5 CYS H H 628 7.766 8.412 -0.646 1
1 36 . 6 1 1 A 5 5 CYS CA C 628 57.978 58.382 -0.404 1
1 37 . 6 1 1 A 5 5 CYS HA H 628 3.781 4.645 -0.864 1
1 38 . 6 1 1 A 5 5 CYS CB C 628 31.436 27.601 3.835 1
1 41 . 6 1 1 A 6 6 ARG N N 629 129.928 127.834 2.094 1
1 42 . 6 1 1 A 6 6 ARG H H 629 9.040 8.143 0.897 1
1 43 . 6 1 1 A 6 6 ARG CA C 629 57.514 59.390 -1.876 1
1 44 . 6 1 1 A 6 6 ARG HA H 629 3.900 3.664 0.236 1
1 45 . 6 1 1 A 6 6 ARG CB C 629 30.251 29.376 0.875 1
1 54 . 6 1 1 A 7 7 VAL N N 630 118.166 119.302 -1.136 1
1 55 . 6 1 1 A 7 7 VAL H H 630 8.734 7.591 1.143 1
1 56 . 6 1 1 A 7 7 VAL CA C 630 65.770 66.851 -1.081 1
1 57 . 6 1 1 A 7 7 VAL HA H 630 4.137 3.637 0.500 1
1 58 . 6 1 1 A 7 7 VAL CB C 630 33.079 31.776 1.303 1
1 68 . 6 1 1 A 8 8 CYS N N 631 116.148 114.560 1.588 1
1 69 . 6 1 1 A 8 8 CYS H H 631 8.143 7.800 0.343 1
1 70 . 6 1 1 A 8 8 CYS CA C 631 59.154 58.234 0.920 1
1 71 . 6 1 1 A 8 8 CYS HA H 631 5.105 4.400 0.705 1
1 72 . 6 1 1 A 8 8 CYS CB C 631 31.184 27.047 4.137 1
1 75 . 6 1 1 A 9 9 GLN N N 632 115.248 115.794 -0.546 1
1 76 . 6 1 1 A 9 9 GLN H H 632 8.132 8.860 -0.728 1
1 77 . 6 1 1 A 9 9 GLN CA C 632 57.404 56.800 0.604 1
1 78 . 6 1 1 A 9 9 GLN HA H 632 4.068 3.766 0.302 1
1 79 . 6 1 1 A 9 9 GLN CB C 632 26.002 26.433 -0.431 1
1 88 . 6 1 1 A 10 10 LYS N N 633 118.420 118.981 -0.561 1
1 89 . 6 1 1 A 10 10 LYS H H 633 8.091 7.938 0.153 1
1 90 . 6 1 1 A 10 10 LYS CA C 633 53.835 52.913 0.922 1
1 91 . 6 1 1 A 10 10 LYS HA H 633 5.046 4.742 0.304 1
1 92 . 6 1 1 A 10 10 LYS CB C 633 33.312 33.215 0.097 1
1 102 . 6 1 1 A 11 11 PRO CA C 634 62.136 63.306 -1.170 1
1 103 . 6 1 1 A 11 11 PRO HA H 634 5.056 4.521 0.535 1
1 104 . 6 1 1 A 11 11 PRO CB C 634 33.061 33.050 0.011 1
1 112 . 6 1 1 A 12 12 GLY N N 635 106.958 107.722 -0.764 1
1 113 . 6 1 1 A 12 12 GLY H H 635 8.475 8.103 0.372 1
1 114 . 6 1 1 A 12 12 GLY CA C 635 45.303 45.351 -0.048 1
1 115 . 6 1 1 A 12 12 GLY HA3 H 635 3.812 4.362 -0.550 1
1 116 . 6 1 1 A 12 12 GLY HA2 H 635 4.438 4.278 0.160 1
1 117 . 6 1 1 A 13 13 ASP N N 636 124.001 123.045 0.956 1
1 118 . 6 1 1 A 13 13 ASP H H 636 8.729 8.519 0.210 1
1 119 . 6 1 1 A 13 13 ASP CA C 636 54.239 52.972 1.267 1
1 120 . 6 1 1 A 13 13 ASP HA H 636 4.656 4.722 -0.066 1
1 121 . 6 1 1 A 13 13 ASP CB C 636 39.425 38.821 0.604 1
1 124 . 6 1 1 A 14 14 LEU N N 637 121.435 122.446 -1.011 1
1 125 . 6 1 1 A 14 14 LEU H H 637 7.849 7.497 0.352 1
1 126 . 6 1 1 A 14 14 LEU CA C 637 53.306 54.770 -1.464 1
1 127 . 6 1 1 A 14 14 LEU HA H 637 4.546 4.648 -0.102 1
1 128 . 6 1 1 A 14 14 LEU CB C 637 44.117 42.287 1.830 1
1 141 . 6 1 1 A 15 15 VAL N N 638 118.100 120.025 -1.925 1
1 142 . 6 1 1 A 15 15 VAL H H 638 8.703 8.938 -0.235 1
1 143 . 6 1 1 A 15 15 VAL CA C 638 59.865 61.072 -1.207 1
1 144 . 6 1 1 A 15 15 VAL HA H 638 4.383 4.825 -0.442 1
1 145 . 6 1 1 A 15 15 VAL CB C 638 33.305 33.022 0.283 1
1 155 . 6 1 1 A 16 16 MET N N 639 125.271 125.198 0.073 1
1 156 . 6 1 1 A 16 16 MET H H 639 8.519 8.830 -0.311 1
1 157 . 6 1 1 A 16 16 MET CA C 639 54.122 54.675 -0.553 1
1 158 . 6 1 1 A 16 16 MET HA H 639 5.210 5.102 0.108 1
1 159 . 6 1 1 A 16 16 MET CB C 639 36.310 32.468 3.842 1
1 169 . 6 1 1 A 17 17 CYS N N 640 129.455 124.396 5.059 1
1 170 . 6 1 1 A 17 17 CYS H H 640 9.139 9.257 -0.118 1
1 171 . 6 1 1 A 17 17 CYS CA C 640 59.996 60.022 -0.026 1
1 172 . 6 1 1 A 17 17 CYS HA H 640 4.658 4.270 0.388 1
1 173 . 6 1 1 A 17 17 CYS CB C 640 31.238 28.009 3.229 1
1 176 . 6 1 1 A 18 18 ASN N N 641 128.271 126.970 1.301 1
1 177 . 6 1 1 A 18 18 ASN H H 641 8.914 9.160 -0.246 1
1 178 . 6 1 1 A 18 18 ASN CA C 641 55.658 55.731 -0.073 1
1 179 . 6 1 1 A 18 18 ASN HA H 641 4.584 4.429 0.155 1
1 180 . 6 1 1 A 18 18 ASN CB C 641 38.955 38.448 0.507 1
1 186 . 6 1 1 A 19 19 GLN N N 642 121.426 115.558 5.868 1
1 187 . 6 1 1 A 19 19 GLN H H 642 9.313 7.907 1.406 1
1 188 . 6 1 1 A 19 19 GLN CA C 642 57.971 56.265 1.706 1
1 189 . 6 1 1 A 19 19 GLN HA H 642 4.502 4.515 -0.013 1
1 190 . 6 1 1 A 19 19 GLN CB C 642 30.466 31.247 -0.781 1
1 197 . 6 1 1 A 20 20 CYS N N 643 120.207 114.928 5.279 1
1 198 . 6 1 1 A 20 20 CYS H H 643 8.542 7.872 0.670 1
1 199 . 6 1 1 A 20 20 CYS CA C 643 59.473 57.898 1.575 1
1 200 . 6 1 1 A 20 20 CYS HA H 643 4.663 4.715 -0.052 1
1 201 . 6 1 1 A 20 20 CYS CB C 643 31.889 28.209 3.680 1
1 204 . 6 1 1 A 21 21 GLU N N 644 114.113 115.283 -1.170 1
1 205 . 6 1 1 A 21 21 GLU H H 644 7.441 8.251 -0.810 1
1 206 . 6 1 1 A 21 21 GLU CA C 644 57.994 58.126 -0.132 1
1 207 . 6 1 1 A 21 21 GLU HA H 644 4.285 4.057 0.228 1
1 208 . 6 1 1 A 21 21 GLU CB C 644 26.843 27.968 -1.125 1
1 214 . 6 1 1 A 22 22 PHE N N 645 120.911 119.590 1.321 1
1 215 . 6 1 1 A 22 22 PHE H H 645 8.941 8.501 0.440 1
1 216 . 6 1 1 A 22 22 PHE CA C 645 57.356 58.972 -1.616 1
1 217 . 6 1 1 A 22 22 PHE HA H 645 4.777 4.518 0.259 1
1 218 . 6 1 1 A 22 22 PHE CB C 645 38.709 39.483 -0.774 1
1 226 . 6 1 1 A 23 23 CYS N N 646 115.830 124.564 -8.734 1
1 227 . 6 1 1 A 23 23 CYS H H 646 8.137 8.673 -0.536 1
1 228 . 6 1 1 A 23 23 CYS CA C 646 56.600 58.533 -1.933 1
1 229 . 6 1 1 A 23 23 CYS HA H 646 5.813 6.102 -0.289 1
1 230 . 6 1 1 A 23 23 CYS CB C 646 30.951 28.587 2.364 1
1 233 . 6 1 1 A 24 24 PHE N N 647 116.053 120.727 -4.674 1
1 234 . 6 1 1 A 24 24 PHE H H 647 9.011 8.886 0.125 1
1 235 . 6 1 1 A 24 24 PHE CA C 647 56.827 56.858 -0.031 1
1 236 . 6 1 1 A 24 24 PHE HA H 647 5.910 4.803 1.107 1
1 237 . 6 1 1 A 24 24 PHE CB C 647 44.608 43.038 1.570 1
1 246 . 6 1 1 A 25 25 HIS N N 648 120.957 121.956 -0.999 1
1 247 . 6 1 1 A 25 25 HIS H H 648 8.427 9.082 -0.655 1
1 248 . 6 1 1 A 25 25 HIS CA C 648 58.971 56.861 2.110 1
1 249 . 6 1 1 A 25 25 HIS HA H 648 4.929 4.394 0.535 1
1 250 . 6 1 1 A 25 25 HIS CB C 648 31.178 29.737 1.441 1
1 257 . 6 1 1 A 26 26 LEU N N 649 123.176 117.117 6.059 1
1 258 . 6 1 1 A 26 26 LEU H H 649 9.369 7.972 1.397 1
1 259 . 6 1 1 A 26 26 LEU CA C 649 59.646 57.477 2.169 1
1 260 . 6 1 1 A 26 26 LEU HA H 649 3.829 3.645 0.184 1
1 261 . 6 1 1 A 26 26 LEU CB C 649 39.426 39.992 -0.566 1
1 274 . 6 1 1 A 27 27 ASP N N 650 109.058 118.713 -9.655 1
1 275 . 6 1 1 A 27 27 ASP H H 650 8.326 9.263 -0.937 1
1 276 . 6 1 1 A 27 27 ASP CA C 650 53.998 57.113 -3.115 1
1 277 . 6 1 1 A 27 27 ASP HA H 650 4.739 4.409 0.330 1
1 278 . 6 1 1 A 27 27 ASP CB C 650 40.331 40.400 -0.069 1
1 280 . 6 1 1 A 28 28 CYS N N 651 117.495 118.161 -0.666 1
1 281 . 6 1 1 A 28 28 CYS H H 651 7.480 8.327 -0.847 1
1 282 . 6 1 1 A 28 28 CYS CA C 651 61.534 62.746 -1.212 1
1 283 . 6 1 1 A 28 28 CYS HA H 651 4.245 4.412 -0.167 1
1 284 . 6 1 1 A 28 28 CYS CB C 651 31.646 27.249 4.397 1
1 286 . 6 1 1 A 29 29 HIS N N 652 116.384 122.095 -5.711 1
1 287 . 6 1 1 A 29 29 HIS H H 652 6.894 7.701 -0.807 1
1 288 . 6 1 1 A 29 29 HIS CA C 652 59.713 57.528 2.185 1
1 289 . 6 1 1 A 29 29 HIS HA H 652 3.644 4.660 -1.016 1
1 290 . 6 1 1 A 29 29 HIS CB C 652 27.909 30.685 -2.776 1
1 296 . 6 1 1 A 30 30 LEU N N 653 121.110 127.728 -6.618 1
1 297 . 6 1 1 A 30 30 LEU H H 653 4.525 8.351 -3.826 1
1 298 . 6 1 1 A 30 30 LEU CA C 653 51.439 59.090 -7.651 1
1 299 . 6 1 1 A 30 30 LEU HA H 653 4.515 3.234 1.281 1
1 300 . 6 1 1 A 30 30 LEU CB C 653 46.001 41.091 4.910 1
1 312 . 6 1 1 A 31 31 PRO CA C 654 62.964 63.718 -0.754 1
1 313 . 6 1 1 A 31 31 PRO HA H 654 4.471 4.244 0.227 1
1 314 . 6 1 1 A 31 31 PRO CB C 654 34.045 31.989 2.056 1
1 322 . 6 1 1 A 32 32 ALA N N 655 125.871 119.867 6.004 1
1 323 . 6 1 1 A 32 32 ALA H H 655 8.766 7.560 1.206 1
1 324 . 6 1 1 A 32 32 ALA CA C 655 52.771 52.929 -0.158 1
1 325 . 6 1 1 A 32 32 ALA HA H 655 4.349 4.885 -0.536 1
1 326 . 6 1 1 A 32 32 ALA CB C 655 18.177 17.819 0.358 1
1 330 . 6 1 1 A 33 33 LEU N N 656 123.348 125.790 -2.442 1
1 331 . 6 1 1 A 33 33 LEU H H 656 8.230 8.544 -0.314 1
1 332 . 6 1 1 A 33 33 LEU CA C 656 54.014 57.391 -3.377 1
1 333 . 6 1 1 A 33 33 LEU HA H 656 4.445 3.874 0.571 1
1 334 . 6 1 1 A 33 33 LEU CB C 656 43.197 41.733 1.464 1
1 347 . 6 1 1 A 34 34 GLN N N 657 119.992 115.035 4.957 1
1 348 . 6 1 1 A 34 34 GLN H H 657 8.679 7.724 0.955 1
1 349 . 6 1 1 A 34 34 GLN CA C 657 56.354 57.878 -1.524 1
1 350 . 6 1 1 A 34 34 GLN HA H 657 4.159 3.960 0.199 1
1 351 . 6 1 1 A 34 34 GLN CB C 657 29.555 26.687 2.868 1
1 359 . 6 1 1 A 35 35 ASP N N 658 115.420 119.479 -4.059 1
1 360 . 6 1 1 A 35 35 ASP H H 658 7.457 7.880 -0.423 1
1 361 . 6 1 1 A 35 35 ASP CA C 658 51.696 54.015 -2.319 1
1 362 . 6 1 1 A 35 35 ASP HA H 658 4.626 4.784 -0.158 1
1 363 . 6 1 1 A 35 35 ASP CB C 658 43.431 43.118 0.313 1
1 366 . 6 1 1 A 36 36 VAL N N 659 122.099 123.745 -1.646 1
1 367 . 6 1 1 A 36 36 VAL H H 659 8.624 8.382 0.242 1
1 368 . 6 1 1 A 36 36 VAL CA C 659 60.994 61.172 -0.178 1
1 369 . 6 1 1 A 36 36 VAL HA H 659 3.752 3.878 -0.126 1
1 370 . 6 1 1 A 36 36 VAL CB C 659 32.087 31.732 0.355 1
1 380 . 6 1 1 A 37 37 PRO CA C 660 62.728 63.507 -0.779 1
1 381 . 6 1 1 A 37 37 PRO HA H 660 4.454 4.406 0.048 1
1 382 . 6 1 1 A 37 37 PRO CB C 660 32.835 31.875 0.960 1
1 391 . 6 1 1 A 38 38 GLY N N 661 106.940 108.807 -1.867 1
1 392 . 6 1 1 A 38 38 GLY H H 661 8.189 7.925 0.264 1
1 393 . 6 1 1 A 38 38 GLY CA C 661 44.397 45.451 -1.054 1
1 394 . 6 1 1 A 38 38 GLY HA3 H 661 3.969 3.923 0.046 1
1 395 . 6 1 1 A 38 38 GLY HA2 H 661 4.190 3.905 0.285 1
1 396 . 6 1 1 A 39 39 GLU N N 662 117.365 112.370 4.995 1
1 397 . 6 1 1 A 39 39 GLU H H 662 8.281 8.453 -0.172 1
1 398 . 6 1 1 A 39 39 GLU CA C 662 57.520 58.052 -0.532 1
1 399 . 6 1 1 A 39 39 GLU HA H 662 4.281 3.989 0.292 1
1 400 . 6 1 1 A 39 39 GLU CB C 662 30.013 27.583 2.430 1
1 405 . 6 1 1 A 40 40 GLU N N 663 117.986 118.030 -0.044 1
1 406 . 6 1 1 A 40 40 GLU H H 663 8.697 8.208 0.489 1
1 407 . 6 1 1 A 40 40 GLU CA C 663 56.389 56.405 -0.016 1
1 408 . 6 1 1 A 40 40 GLU HA H 663 4.293 4.488 -0.195 1
1 409 . 6 1 1 A 40 40 GLU CB C 663 28.787 30.355 -1.568 1
1 414 . 6 1 1 A 41 41 TRP N N 664 124.391 124.051 0.340 1
1 415 . 6 1 1 A 41 41 TRP H H 664 7.967 7.795 0.172 1
1 416 . 6 1 1 A 41 41 TRP CA C 664 59.934 57.894 2.040 1
1 417 . 6 1 1 A 41 41 TRP HA H 664 4.312 4.699 -0.387 1
1 418 . 6 1 1 A 41 41 TRP CB C 664 29.998 30.346 -0.348 1
1 432 . 6 1 1 A 42 42 SER N N 665 120.355 116.380 3.975 1
1 433 . 6 1 1 A 42 42 SER H H 665 6.873 7.617 -0.744 1
1 434 . 6 1 1 A 42 42 SER CA C 665 55.166 57.280 -2.114 1
1 435 . 6 1 1 A 42 42 SER HA H 665 5.259 4.517 0.742 1
1 436 . 6 1 1 A 42 42 SER CB C 665 65.990 66.162 -0.172 1
1 439 . 6 1 1 A 43 43 CYS N N 666 125.642 124.610 1.032 1
1 440 . 6 1 1 A 43 43 CYS H H 666 9.271 8.136 1.135 1
1 441 . 6 1 1 A 43 43 CYS CA C 666 57.325 59.203 -1.878 1
1 442 . 6 1 1 A 43 43 CYS HA H 666 3.952 3.155 0.797 1
1 443 . 6 1 1 A 43 43 CYS CB C 666 34.022 27.951 6.071 1
1 446 . 6 1 1 A 44 44 SER N N 667 117.158 117.940 -0.782 1
1 447 . 6 1 1 A 44 44 SER H H 667 7.068 8.618 -1.550 1
1 448 . 6 1 1 A 44 44 SER CA C 667 61.353 61.520 -0.167 1
1 449 . 6 1 1 A 44 44 SER HA H 667 4.225 3.982 0.243 1
1 450 . 6 1 1 A 44 44 SER CB C 667 63.693 62.932 0.761 1
1 453 . 6 1 1 A 45 45 LEU N N 668 120.667 120.426 0.241 1
1 454 . 6 1 1 A 45 45 LEU H H 668 8.965 7.573 1.392 1
1 455 . 6 1 1 A 45 45 LEU CA C 668 57.416 54.857 2.559 1
1 456 . 6 1 1 A 45 45 LEU HA H 668 4.178 4.333 -0.155 1
1 457 . 6 1 1 A 45 45 LEU CB C 668 40.611 41.482 -0.871 1
1 470 . 6 1 1 A 46 46 CYS N N 669 121.872 117.673 4.199 1
1 471 . 6 1 1 A 46 46 CYS H H 669 7.816 8.382 -0.566 1
1 472 . 6 1 1 A 46 46 CYS CA C 669 62.557 59.651 2.906 1
1 473 . 6 1 1 A 46 46 CYS HA H 669 3.969 4.531 -0.562 1
1 474 . 6 1 1 A 46 46 CYS CB C 669 30.467 30.136 0.331 1
1 477 . 6 1 1 A 47 47 HIS N N 670 119.396 118.984 0.412 1
1 478 . 6 1 1 A 47 47 HIS H H 670 8.077 7.834 0.243 1
1 479 . 6 1 1 A 47 47 HIS CA C 670 55.625 57.215 -1.590 1
1 480 . 6 1 1 A 47 47 HIS HA H 670 4.429 4.703 -0.274 1
1 481 . 6 1 1 A 47 47 HIS CB C 670 30.326 31.656 -1.330 1
1 488 . 6 1 1 A 48 48 VAL N N 671 123.528 117.251 6.277 1
1 489 . 6 1 1 A 48 48 VAL H H 671 7.978 7.883 0.095 1
1 490 . 6 1 1 A 48 48 VAL CA C 671 62.120 64.154 -2.034 1
1 491 . 6 1 1 A 48 48 VAL HA H 671 3.925 4.089 -0.164 1
1 492 . 6 1 1 A 48 48 VAL CB C 671 32.396 31.242 1.154 1
1 502 . 6 1 1 A 49 49 LEU N N 672 126.622 122.541 4.081 1
1 503 . 6 1 1 A 49 49 LEU H H 672 8.139 8.911 -0.772 1
1 504 . 6 1 1 A 49 49 LEU CA C 672 52.859 56.328 -3.469 1
1 505 . 6 1 1 A 49 49 LEU HA H 672 4.475 4.416 0.059 1
1 506 . 6 1 1 A 49 49 LEU CB C 672 41.536 41.110 0.426 1
1 518 . 6 1 1 A 50 50 PRO CA C 673 62.715 66.303 -3.588 1
1 519 . 6 1 1 A 50 50 PRO HA H 673 4.386 4.370 0.016 1
1 520 . 6 1 1 A 50 50 PRO CB C 673 32.093 31.263 0.830 1
1 528 . 6 1 1 A 51 51 ASP N N 674 120.540 116.644 3.896 1
1 529 . 6 1 1 A 51 51 ASP H H 674 8.307 8.004 0.303 1
1 530 . 6 1 1 A 51 51 ASP CA C 674 54.202 54.086 0.116 1
1 531 . 6 1 1 A 51 51 ASP HA H 674 4.564 4.990 -0.426 1
1 532 . 6 1 1 A 51 51 ASP CB C 674 41.030 43.999 -2.969 1
1 535 . 6 1 1 A 52 52 LEU N N 675 122.987 120.043 2.944 1
1 536 . 6 1 1 A 52 52 LEU H H 675 8.053 7.610 0.443 1
1 537 . 6 1 1 A 52 52 LEU CA C 675 54.945 54.992 -0.047 1
1 538 . 6 1 1 A 52 52 LEU HA H 675 4.364 4.368 -0.004 1
1 539 . 6 1 1 A 52 52 LEU CB C 675 42.436 40.487 1.949 1
1 551 . 6 1 1 A 53 53 LYS N N 676 122.061 125.249 -3.188 1
1 552 . 6 1 1 A 53 53 LYS H H 676 8.340 8.598 -0.258 1
1 553 . 6 1 1 A 53 53 LYS CA C 676 56.060 58.384 -2.324 1
1 554 . 6 1 1 A 53 53 LYS HA H 676 4.331 4.159 0.172 1
1 555 . 6 1 1 A 53 53 LYS CB C 676 32.363 32.797 -0.434 1
1 564 . 6 1 1 A 54 54 GLU N N 677 121.909 117.341 4.568 1
1 565 . 6 1 1 A 54 54 GLU H H 677 8.403 8.043 0.360 1
1 566 . 6 1 1 A 54 54 GLU CA C 677 56.586 58.801 -2.215 1
1 567 . 6 1 1 A 54 54 GLU HA H 677 4.312 3.963 0.349 1
1 568 . 6 1 1 A 54 54 GLU CB C 677 30.221 28.372 1.849 1
1 573 . 6 1 1 A 55 55 GLU N N 678 121.528 121.571 -0.043 1
1 574 . 6 1 1 A 55 55 GLU H H 678 8.486 8.767 -0.281 1
1 575 . 6 1 1 A 55 55 GLU CA C 678 56.368 56.617 -0.249 1
1 576 . 6 1 1 A 55 55 GLU HA H 678 4.315 4.328 -0.013 1
1 577 . 6 1 1 A 55 55 GLU CB C 678 28.896 29.649 -0.753 1
1 582 . 6 1 1 A 56 56 ASP N N 679 121.530 123.380 -1.850 1
1 583 . 6 1 1 A 56 56 ASP H H 679 8.322 9.111 -0.789 1
1 584 . 6 1 1 A 56 56 ASP CA C 679 54.252 55.194 -0.942 1
1 585 . 6 1 1 A 56 56 ASP HA H 679 4.680 4.435 0.245 1
1 586 . 6 1 1 A 56 56 ASP CB C 679 41.146 40.534 0.612 1
1 588 . 6 1 1 A 57 57 GLY N N 680 109.997 108.177 1.820 1
1 589 . 6 1 1 A 57 57 GLY H H 680 8.412 8.104 0.308 1
1 590 . 6 1 1 A 57 57 GLY CA C 680 45.247 46.223 -0.976 1
1 591 . 6 1 1 A 57 57 GLY HA2 H 680 4.020 3.943 0.077 1
1 592 . 6 1 1 A 58 58 SER N N 681 115.994 113.719 2.275 1
1 593 . 6 1 1 A 58 58 SER H H 681 8.280 7.763 0.517 1
1 594 . 6 1 1 A 58 58 SER CA C 681 58.239 57.361 0.878 1
1 595 . 6 1 1 A 58 58 SER HA H 681 3.996 4.670 -0.674 1
1 596 . 6 1 1 A 58 58 SER CB C 681 63.789 64.311 -0.522 1
1 598 . 6 1 1 A 59 59 LEU N N 682 123.362 121.665 1.697 1
1 599 . 6 1 1 A 59 59 LEU H H 682 8.164 8.110 0.054 1
1 600 . 6 1 1 A 59 59 LEU CA C 682 55.160 55.702 -0.542 1
1 601 . 6 1 1 A 59 59 LEU HA H 682 4.427 4.009 0.418 1
1 602 . 6 1 1 A 59 59 LEU CB C 682 42.473 40.725 1.748 1
1 614 . 6 1 1 A 60 60 SER N N 683 116.385 122.109 -5.724 1
1 615 . 6 1 1 A 60 60 SER H H 683 8.226 8.576 -0.350 1
1 616 . 6 1 1 A 60 60 SER CA C 683 58.004 57.250 0.754 1
1 617 . 6 1 1 A 60 60 SER HA H 683 4.517 4.747 -0.230 1
1 618 . 6 1 1 A 60 60 SER CB C 683 63.651 64.593 -0.942 1
1 620 . 6 1 1 A 61 61 LEU N N 684 124.466 119.982 4.484 1
1 621 . 6 1 1 A 61 61 LEU H H 684 8.303 8.190 0.113 1
1 622 . 6 1 1 A 61 61 LEU CA C 684 54.959 55.542 -0.583 1
1 623 . 6 1 1 A 61 61 LEU HA H 684 4.412 4.094 0.318 1
1 624 . 6 1 1 A 61 61 LEU CB C 684 41.713 39.708 2.005 1
1 635 . 6 1 1 A 62 62 ASP N N 685 120.536 118.500 2.036 1
1 636 . 6 1 1 A 62 62 ASP H H 685 8.267 8.350 -0.083 1
1 637 . 6 1 1 A 62 62 ASP CA C 685 54.276 54.750 -0.474 1
1 638 . 6 1 1 A 62 62 ASP HA H 685 4.680 4.297 0.383 1
1 639 . 6 1 1 A 62 62 ASP CB C 685 41.125 39.559 1.566 1
1 642 . 6 1 1 A 63 63 GLY N N 686 109.373 112.169 -2.796 1
1 643 . 6 1 1 A 63 63 GLY H H 686 8.277 8.609 -0.332 1
1 644 . 6 1 1 A 63 63 GLY CA C 686 45.297 45.665 -0.368 1
1 645 . 6 1 1 A 63 63 GLY HA2 H 686 3.992 4.029 -0.037 1
1 646 . 6 1 1 A 64 64 ALA N N 687 123.584 123.297 0.287 1
1 647 . 6 1 1 A 64 64 ALA H H 687 8.129 8.153 -0.024 1
1 648 . 6 1 1 A 64 64 ALA CA C 687 52.637 51.139 1.498 1
1 649 . 6 1 1 A 64 64 ALA HA H 687 4.379 4.381 -0.002 1
1 650 . 6 1 1 A 64 64 ALA CB C 687 19.122 19.983 -0.861 1
1 654 . 6 1 1 A 65 65 ASP N N 688 118.924 117.379 1.545 1
1 655 . 6 1 1 A 65 65 ASP H H 688 8.326 8.836 -0.510 1
1 656 . 6 1 1 A 65 65 ASP CA C 688 53.972 56.303 -2.331 1
1 657 . 6 1 1 A 65 65 ASP HA H 688 4.682 4.437 0.245 1
1 658 . 6 1 1 A 65 65 ASP CB C 688 41.061 39.513 1.548 1
1 660 . 6 1 1 A 66 66 SER N N 689 116.036 116.599 -0.563 1
1 661 . 6 1 1 A 66 66 SER H H 689 8.285 8.688 -0.403 1
1 662 . 6 1 1 A 66 66 SER CA C 689 58.352 57.336 1.016 1
1 663 . 6 1 1 A 66 66 SER HA H 689 4.443 4.877 -0.434 1
1 664 . 6 1 1 A 66 66 SER CB C 689 63.665 66.744 -3.079 1
1 666 . 6 1 1 A 67 67 THR N N 690 115.059 116.639 -1.580 1
1 667 . 6 1 1 A 67 67 THR H H 690 8.253 8.538 -0.285 1
1 668 . 6 1 1 A 67 67 THR CA C 690 62.556 64.550 -1.994 1
1 669 . 6 1 1 A 67 67 THR HA H 690 4.379 4.179 0.200 1
1 670 . 6 1 1 A 67 67 THR CB C 690 69.623 69.245 0.378 1
1 676 . 6 1 1 A 68 68 GLY N N 691 111.091 110.602 0.489 1
1 677 . 6 1 1 A 68 68 GLY H H 691 8.366 8.410 -0.044 1
1 678 . 6 1 1 A 68 68 GLY CA C 691 45.297 46.496 -1.199 1
1 679 . 6 1 1 A 68 68 GLY HA2 H 691 4.002 3.967 0.035 1
1 680 . 6 1 1 A 69 69 VAL N N 692 119.280 119.886 -0.606 1
1 681 . 6 1 1 A 69 69 VAL H H 692 7.876 7.624 0.252 1
1 682 . 6 1 1 A 69 69 VAL CA C 692 62.068 64.280 -2.212 1
1 683 . 6 1 1 A 69 69 VAL HA H 692 4.176 4.018 0.158 1
1 684 . 6 1 1 A 69 69 VAL CB C 692 32.322 31.607 0.715 1
1 690 . 6 1 1 A 70 70 VAL N N 693 123.601 120.590 3.011 1
1 691 . 6 1 1 A 70 70 VAL H H 693 8.102 7.687 0.415 1
1 692 . 6 1 1 A 70 70 VAL CA C 693 61.886 63.764 -1.878 1
1 693 . 6 1 1 A 70 70 VAL HA H 693 4.150 4.242 -0.092 1
1 694 . 6 1 1 A 70 70 VAL CB C 693 32.429 33.042 -0.613 1
1 700 . 6 1 1 A 71 71 ALA N N 694 129.048 123.623 5.425 1
1 701 . 6 1 1 A 71 71 ALA H H 694 8.374 7.898 0.476 1
1 702 . 6 1 1 A 71 71 ALA CA C 694 52.125 53.625 -1.500 1
1 703 . 6 1 1 A 71 71 ALA HA H 694 4.454 4.065 0.389 1
1 704 . 6 1 1 A 71 71 ALA CB C 694 19.203 18.230 0.973 1
1 708 . 6 1 1 A 72 72 LYS N N 695 118.535 118.325 0.210 1
1 709 . 6 1 1 A 72 72 LYS H H 695 7.833 7.953 -0.120 1
1 710 . 6 1 1 A 72 72 LYS CA C 695 54.556 59.188 -4.632 1
1 711 . 6 1 1 A 72 72 LYS HA H 695 4.827 4.273 0.554 1
1 712 . 6 1 1 A 72 72 LYS CB C 695 35.245 32.448 2.797 1
1 722 . 6 1 1 A 73 73 LEU N N 696 121.834 120.318 1.516 1
1 723 . 6 1 1 A 73 73 LEU H H 696 8.772 7.758 1.014 1
1 724 . 6 1 1 A 73 73 LEU CA C 696 54.973 56.589 -1.616 1
1 725 . 6 1 1 A 73 73 LEU HA H 696 4.268 4.141 0.127 1
1 726 . 6 1 1 A 73 73 LEU CB C 696 42.467 43.248 -0.781 1
1 739 . 6 1 1 A 74 74 SER N N 697 121.120 111.489 9.631 1
1 740 . 6 1 1 A 74 74 SER H H 697 8.890 7.605 1.285 1
1 741 . 6 1 1 A 74 74 SER CA C 697 56.165 58.403 -2.238 1
1 742 . 6 1 1 A 74 74 SER HA H 697 4.710 4.616 0.094 1
1 743 . 6 1 1 A 74 74 SER CB C 697 62.177 65.810 -3.633 1
1 745 . 6 1 1 A 75 75 PRO CA C 698 66.251 65.106 1.145 1
1 746 . 6 1 1 A 75 75 PRO HA H 698 4.350 4.390 -0.040 1
1 747 . 6 1 1 A 75 75 PRO CB C 698 31.661 31.784 -0.123 1
1 755 . 6 1 1 A 76 76 ALA N N 699 117.914 119.676 -1.762 1
1 756 . 6 1 1 A 76 76 ALA H H 699 8.458 8.179 0.279 1
1 757 . 6 1 1 A 76 76 ALA CA C 699 55.000 55.020 -0.020 1
1 758 . 6 1 1 A 76 76 ALA HA H 699 4.132 4.204 -0.072 1
1 759 . 6 1 1 A 76 76 ALA CB C 699 18.785 19.264 -0.479 1
1 763 . 6 1 1 A 77 77 ASN N N 700 116.945 117.028 -0.083 1
1 764 . 6 1 1 A 77 77 ASN H H 700 7.760 8.283 -0.523 1
1 765 . 6 1 1 A 77 77 ASN CA C 700 55.210 56.360 -1.150 1
1 766 . 6 1 1 A 77 77 ASN HA H 700 4.763 4.369 0.394 1
1 767 . 6 1 1 A 77 77 ASN CB C 700 38.005 37.891 0.114 1
1 770 . 6 1 1 A 78 78 GLN N N 701 124.719 120.162 4.557 1
1 771 . 6 1 1 A 78 78 GLN H H 701 9.480 8.473 1.007 1
1 772 . 6 1 1 A 78 78 GLN CA C 701 59.634 59.410 0.224 1
1 773 . 6 1 1 A 78 78 GLN HA H 701 3.673 4.070 -0.397 1
1 774 . 6 1 1 A 78 78 GLN CB C 701 27.114 28.584 -1.470 1
1 782 . 6 1 1 A 79 79 ARG N N 702 117.069 119.510 -2.441 1
1 783 . 6 1 1 A 79 79 ARG H H 702 7.654 8.090 -0.436 1
1 784 . 6 1 1 A 79 79 ARG CA C 702 57.561 59.733 -2.172 1
1 785 . 6 1 1 A 79 79 ARG HA H 702 4.487 4.138 0.349 1
1 786 . 6 1 1 A 79 79 ARG CB C 702 29.680 29.973 -0.293 1
1 794 . 6 1 1 A 80 80 LYS N N 703 119.251 118.595 0.656 1
1 795 . 6 1 1 A 80 80 LYS H H 703 7.636 8.266 -0.630 1
1 796 . 6 1 1 A 80 80 LYS CA C 703 60.735 59.318 1.417 1
1 797 . 6 1 1 A 80 80 LYS HA H 703 3.702 4.008 -0.306 1
1 798 . 6 1 1 A 80 80 LYS CB C 703 34.002 32.376 1.626 1
1 808 . 6 1 1 A 81 81 CYS N N 704 115.848 118.251 -2.403 1
1 809 . 6 1 1 A 81 81 CYS H H 704 8.031 8.679 -0.648 1
1 810 . 6 1 1 A 81 81 CYS CA C 704 64.823 63.038 1.785 1
1 811 . 6 1 1 A 81 81 CYS HA H 704 3.687 3.676 0.011 1
1 812 . 6 1 1 A 81 81 CYS CB C 704 26.491 26.295 0.196 1
1 815 . 6 1 1 A 82 82 GLU N N 705 118.931 120.020 -1.089 1
1 816 . 6 1 1 A 82 82 GLU H H 705 8.286 8.891 -0.605 1
1 817 . 6 1 1 A 82 82 GLU CA C 705 59.887 59.805 0.082 1
1 818 . 6 1 1 A 82 82 GLU HA H 705 3.589 4.306 -0.717 1
1 819 . 6 1 1 A 82 82 GLU CB C 705 29.067 29.251 -0.184 1
1 825 . 6 1 1 A 83 83 ARG N N 706 119.029 121.037 -2.008 1
1 826 . 6 1 1 A 83 83 ARG H H 706 7.931 7.631 0.300 1
1 827 . 6 1 1 A 83 83 ARG CA C 706 60.133 58.773 1.360 1
1 828 . 6 1 1 A 83 83 ARG HA H 706 3.748 4.155 -0.407 1
1 829 . 6 1 1 A 83 83 ARG CB C 706 30.197 29.859 0.338 1
1 838 . 6 1 1 A 84 84 VAL N N 707 119.247 119.828 -0.581 1
1 839 . 6 1 1 A 84 84 VAL H H 707 7.762 8.114 -0.352 1
1 840 . 6 1 1 A 84 84 VAL CA C 707 67.133 66.526 0.607 1
1 841 . 6 1 1 A 84 84 VAL HA H 707 3.562 3.801 -0.239 1
1 842 . 6 1 1 A 84 84 VAL CB C 707 31.857 31.663 0.194 1
1 852 . 6 1 1 A 85 85 LEU N N 708 119.414 119.426 -0.012 1
1 853 . 6 1 1 A 85 85 LEU H H 708 8.844 8.702 0.142 1
1 854 . 6 1 1 A 85 85 LEU CA C 708 57.561 58.612 -1.051 1
1 855 . 6 1 1 A 85 85 LEU HA H 708 4.366 4.204 0.162 1
1 856 . 6 1 1 A 85 85 LEU CB C 708 41.320 42.230 -0.910 1
1 869 . 6 1 1 A 86 86 LEU N N 709 120.156 120.613 -0.457 1
1 870 . 6 1 1 A 86 86 LEU H H 709 9.044 8.148 0.896 1
1 871 . 6 1 1 A 86 86 LEU CA C 709 57.977 58.625 -0.648 1
1 872 . 6 1 1 A 86 86 LEU HA H 709 4.382 4.062 0.320 1
1 873 . 6 1 1 A 86 86 LEU CB C 709 41.069 42.179 -1.110 1
1 886 . 6 1 1 A 87 87 ALA N N 710 121.264 120.495 0.769 1
1 887 . 6 1 1 A 87 87 ALA H H 710 8.136 8.848 -0.712 1
1 888 . 6 1 1 A 87 87 ALA CA C 710 55.439 55.855 -0.416 1
1 889 . 6 1 1 A 87 87 ALA HA H 710 4.217 4.403 -0.186 1
1 890 . 6 1 1 A 87 87 ALA CB C 710 17.525 18.862 -1.337 1
1 894 . 6 1 1 A 88 88 LEU N N 711 117.148 117.980 -0.832 1
1 895 . 6 1 1 A 88 88 LEU H H 711 8.158 9.150 -0.992 1
1 896 . 6 1 1 A 88 88 LEU CA C 711 58.688 57.945 0.743 1
1 897 . 6 1 1 A 88 88 LEU HA H 711 4.401 3.355 1.046 1
1 898 . 6 1 1 A 88 88 LEU CB C 711 41.534 42.115 -0.581 1
1 911 . 6 1 1 A 89 89 PHE N N 712 117.048 117.756 -0.708 1
1 912 . 6 1 1 A 89 89 PHE H H 712 8.536 8.931 -0.395 1
1 913 . 6 1 1 A 89 89 PHE CA C 712 62.732 61.229 1.503 1
1 914 . 6 1 1 A 89 89 PHE HA H 712 3.971 4.840 -0.869 1
1 915 . 6 1 1 A 89 89 PHE CB C 712 40.351 39.196 1.155 1
1 922 . 6 1 1 A 90 90 CYS N N 713 111.682 117.261 -5.579 1
1 923 . 6 1 1 A 90 90 CYS H H 713 7.689 9.115 -1.426 1
1 924 . 6 1 1 A 90 90 CYS CA C 713 60.573 62.078 -1.505 1
1 925 . 6 1 1 A 90 90 CYS HA H 713 4.614 4.155 0.459 1
1 926 . 6 1 1 A 90 90 CYS CB C 713 28.820 27.189 1.631 1
1 929 . 6 1 1 A 91 91 HIS N N 714 123.036 117.409 5.627 1
1 930 . 6 1 1 A 91 91 HIS H H 714 7.517 7.939 -0.422 1
1 931 . 6 1 1 A 91 91 HIS CA C 714 54.945 54.814 0.131 1
1 932 . 6 1 1 A 91 91 HIS HA H 714 4.939 4.488 0.451 1
1 933 . 6 1 1 A 91 91 HIS CB C 714 31.433 31.491 -0.058 1
1 940 . 6 1 1 A 92 92 GLU CA C 715 61.506 61.063 0.443 1
1 941 . 6 1 1 A 92 92 GLU HA H 715 4.052 3.945 0.107 1
1 942 . 6 1 1 A 92 92 GLU CB C 715 26.765 29.116 -2.351 1
1 947 . 6 1 1 A 93 93 PRO CA C 716 65.272 66.335 -1.063 1
1 948 . 6 1 1 A 93 93 PRO HA H 716 4.294 4.468 -0.174 1
1 949 . 6 1 1 A 93 93 PRO CB C 716 31.486 31.121 0.365 1
1 958 . 6 1 1 A 94 94 CYS N N 717 110.309 115.703 -5.394 1
1 959 . 6 1 1 A 94 94 CYS H H 717 7.667 8.614 -0.947 1
1 960 . 6 1 1 A 94 94 CYS CA C 717 58.484 62.260 -3.776 1
1 961 . 6 1 1 A 94 94 CYS HA H 717 4.406 4.071 0.335 1
1 962 . 6 1 1 A 94 94 CYS CB C 717 28.612 27.418 1.194 1
1 965 . 6 1 1 A 95 95 ARG N N 718 122.655 120.034 2.621 1
1 966 . 6 1 1 A 95 95 ARG H H 718 7.928 8.049 -0.121 1
1 967 . 6 1 1 A 95 95 ARG CA C 718 60.829 60.423 0.406 1
1 968 . 6 1 1 A 95 95 ARG HA H 718 3.740 2.952 0.788 1
1 969 . 6 1 1 A 95 95 ARG CB C 718 28.131 28.986 -0.855 1
1 977 . 6 1 1 A 96 96 PRO CA C 719 65.328 66.348 -1.020 1
1 978 . 6 1 1 A 96 96 PRO HA H 719 4.456 4.205 0.251 1
1 979 . 6 1 1 A 96 96 PRO CB C 719 31.665 30.643 1.022 1
1 987 . 6 1 1 A 97 97 LEU N N 720 112.429 116.714 -4.285 1
1 988 . 6 1 1 A 97 97 LEU H H 720 7.720 6.938 0.782 1
1 989 . 6 1 1 A 97 97 LEU CA C 720 54.707 57.522 -2.815 1
1 990 . 6 1 1 A 97 97 LEU HA H 720 4.228 3.703 0.525 1
1 991 . 6 1 1 A 97 97 LEU CB C 720 40.391 41.474 -1.083 1
1 1004 . 6 1 1 A 98 98 HIS N N 721 118.891 116.346 2.545 1
1 1005 . 6 1 1 A 98 98 HIS H H 721 7.964 8.737 -0.773 1
1 1006 . 6 1 1 A 98 98 HIS CA C 721 60.901 58.189 2.712 1
1 1007 . 6 1 1 A 98 98 HIS HA H 721 4.190 4.077 0.113 1
1 1008 . 6 1 1 A 98 98 HIS CB C 721 31.678 29.529 2.149 1
1 1015 . 6 1 1 A 99 99 GLN N N 722 116.787 115.803 0.984 1
1 1016 . 6 1 1 A 99 99 GLN H H 722 8.090 7.476 0.614 1
1 1017 . 6 1 1 A 99 99 GLN CA C 722 55.180 54.901 0.279 1
1 1018 . 6 1 1 A 99 99 GLN HA H 722 4.808 4.502 0.306 1
1 1019 . 6 1 1 A 99 99 GLN CB C 722 30.690 29.529 1.161 1
1 1024 . 6 1 1 A 100 100 LEU H H 723 9.277 8.641 0.636 1
1 1025 . 6 1 1 A 100 100 LEU CA C 723 55.397 55.271 0.126 1
1 1026 . 6 1 1 A 100 100 LEU HA H 723 4.566 4.411 0.155 1
1 1027 . 6 1 1 A 100 100 LEU CB C 723 43.862 42.955 0.907 1
1 1040 . 6 1 1 A 101 101 ALA N N 724 123.211 121.255 1.956 1
1 1041 . 6 1 1 A 101 101 ALA H H 724 8.577 7.361 1.216 1
1 1042 . 6 1 1 A 101 101 ALA CA C 724 52.591 51.459 1.132 1
1 1043 . 6 1 1 A 101 101 ALA HA H 724 4.392 4.364 0.028 1
1 1044 . 6 1 1 A 101 101 ALA CB C 724 19.262 19.947 -0.685 1
1 1048 . 6 1 1 A 102 102 THR N N 725 112.189 110.271 1.918 1
1 1049 . 6 1 1 A 102 102 THR H H 725 8.069 8.310 -0.241 1
1 1050 . 6 1 1 A 102 102 THR CA C 725 61.802 60.590 1.212 1
1 1051 . 6 1 1 A 102 102 THR HA H 725 4.366 4.741 -0.375 1
1 1052 . 6 1 1 A 102 102 THR CB C 725 69.684 69.058 0.626 1
1 1058 . 6 1 1 A 103 103 ASP N N 726 121.846 124.264 -2.418 1
1 1059 . 6 1 1 A 103 103 ASP H H 726 8.195 7.600 0.595 1
1 1060 . 6 1 1 A 103 103 ASP CA C 726 54.057 53.903 0.154 1
1 1061 . 6 1 1 A 103 103 ASP HA H 726 4.681 4.612 0.069 1
1 1062 . 6 1 1 A 103 103 ASP CB C 726 41.228 40.532 0.696 1
1 1064 . 6 1 1 A 104 104 SER N N 727 116.230 121.519 -5.289 1
1 1065 . 6 1 1 A 104 104 SER H H 727 8.260 8.918 -0.658 1
1 1066 . 6 1 1 A 104 104 SER CA C 727 58.945 57.930 1.015 1
1 1067 . 6 1 1 A 104 104 SER HA H 727 4.468 4.623 -0.155 1
1 1068 . 6 1 1 A 104 104 SER CB C 727 63.856 64.633 -0.777 1
1 1070 . 6 1 1 A 105 105 THR N N 728 115.362 111.041 4.321 1
1 1071 . 6 1 1 A 105 105 THR H H 728 8.205 7.794 0.411 1
1 1072 . 6 1 1 A 105 105 THR CA C 728 62.744 61.774 0.970 1
1 1073 . 6 1 1 A 105 105 THR HA H 728 4.238 4.229 0.009 1
1 1074 . 6 1 1 A 105 105 THR CB C 728 69.490 68.702 0.788 1
1 1080 . 6 1 1 A 106 106 PHE N N 729 121.735 118.228 3.507 1
1 1081 . 6 1 1 A 106 106 PHE H H 729 8.047 7.751 0.296 1
1 1082 . 6 1 1 A 106 106 PHE CA C 729 57.966 57.183 0.783 1
1 1083 . 6 1 1 A 106 106 PHE HA H 729 4.626 4.700 -0.074 1
1 1084 . 6 1 1 A 106 106 PHE CB C 729 39.633 41.225 -1.592 1
1 1090 . 6 1 1 A 107 107 SER N N 730 116.751 110.936 5.815 1
1 1091 . 6 1 1 A 107 107 SER H H 730 7.962 7.952 0.010 1
1 1092 . 6 1 1 A 107 107 SER CA C 730 57.921 60.624 -2.703 1
1 1093 . 6 1 1 A 107 107 SER HA H 730 4.413 4.262 0.151 1
1 1094 . 6 1 1 A 107 107 SER CB C 730 63.659 61.240 2.419 1
1 1097 . 6 1 1 A 108 108 LEU N N 731 123.373 120.030 3.343 1
1 1098 . 6 1 1 A 108 108 LEU H H 731 8.212 8.418 -0.206 1
1 1099 . 6 1 1 A 108 108 LEU CA C 731 55.650 58.026 -2.376 1
1 1100 . 6 1 1 A 108 108 LEU HA H 731 4.265 4.044 0.221 1
1 1101 . 6 1 1 A 108 108 LEU CB C 731 42.257 41.353 0.904 1
1 1113 . 6 1 1 A 109 109 ASP N N 732 118.496 118.612 -0.116 1
1 1114 . 6 1 1 A 109 109 ASP H H 732 8.172 7.888 0.284 1
1 1115 . 6 1 1 A 109 109 ASP CA C 732 54.239 52.693 1.546 1
1 1116 . 6 1 1 A 109 109 ASP HA H 732 4.566 4.774 -0.208 1
1 1117 . 6 1 1 A 109 109 ASP CB C 732 41.124 40.806 0.318 1
1 1120 . 6 1 1 A 110 110 GLN N N 733 119.403 120.310 -0.907 1
1 1121 . 6 1 1 A 110 110 GLN H H 733 7.707 7.598 0.109 1
1 1122 . 6 1 1 A 110 110 GLN CA C 733 53.251 54.781 -1.530 1
1 1123 . 6 1 1 A 110 110 GLN HA H 733 4.675 4.573 0.102 1
1 1124 . 6 1 1 A 110 110 GLN CB C 733 29.061 28.274 0.787 1
1 1129 . 6 1 1 A 111 111 PRO CA C 734 63.869 63.298 0.571 1
1 1130 . 6 1 1 A 111 111 PRO HA H 734 4.435 4.545 -0.110 1
1 1131 . 6 1 1 A 111 111 PRO CB C 734 31.900 30.818 1.082 1
1 1139 . 6 1 1 A 112 112 GLY N N 735 109.783 108.357 1.426 1
1 1140 . 6 1 1 A 112 112 GLY H H 735 8.510 8.245 0.265 1
1 1141 . 6 1 1 A 112 112 GLY CA C 735 44.954 46.114 -1.160 1
1 1142 . 6 1 1 A 112 112 GLY HA3 H 735 3.903 4.010 -0.107 1
1 1143 . 6 1 1 A 112 112 GLY HA2 H 735 3.994 4.006 -0.012 1
1 1144 . 6 1 1 A 113 113 GLY N N 736 108.485 107.845 0.640 1
1 1145 . 6 1 1 A 113 113 GLY H H 736 8.138 8.038 0.100 1
1 1146 . 6 1 1 A 113 113 GLY CA C 736 44.755 44.174 0.581 1
1 1147 . 6 1 1 A 113 113 GLY HA3 H 736 3.899 4.049 -0.150 1
1 1148 . 6 1 1 A 113 113 GLY HA2 H 736 3.964 4.041 -0.077 1
1 1149 . 6 1 1 A 114 114 THR N N 737 116.361 113.468 2.893 1
1 1150 . 6 1 1 A 114 114 THR H H 737 7.951 8.343 -0.392 1
1 1151 . 6 1 1 A 114 114 THR CA C 737 62.508 59.704 2.804 1
1 1152 . 6 1 1 A 114 114 THR HA H 737 4.189 4.887 -0.698 1
1 1153 . 6 1 1 A 114 114 THR CB C 737 69.780 70.912 -1.132 1
1 1159 . 6 1 1 A 115 115 LEU N N 738 125.899 121.742 4.157 1
1 1160 . 6 1 1 A 115 115 LEU H H 738 8.575 8.732 -0.157 1
1 1161 . 6 1 1 A 115 115 LEU CA C 738 54.534 52.893 1.641 1
1 1162 . 6 1 1 A 115 115 LEU HA H 738 4.452 4.754 -0.302 1
1 1163 . 6 1 1 A 115 115 LEU CB C 738 45.506 41.894 3.612 1
1 1176 . 6 1 1 A 116 116 ASP N N 739 115.416 119.754 -4.338 1
1 1177 . 6 1 1 A 116 116 ASP H H 739 6.819 8.185 -1.366 1
1 1178 . 6 1 1 A 116 116 ASP CA C 739 52.606 53.390 -0.784 1
1 1179 . 6 1 1 A 116 116 ASP HA H 739 4.472 4.568 -0.096 1
1 1180 . 6 1 1 A 116 116 ASP CB C 739 42.811 41.827 0.984 1
1 1183 . 6 1 1 A 117 117 LEU N N 740 115.281 121.070 -5.789 1
1 1184 . 6 1 1 A 117 117 LEU H H 740 8.213 8.665 -0.452 1
1 1185 . 6 1 1 A 117 117 LEU CA C 740 57.750 57.976 -0.226 1
1 1186 . 6 1 1 A 117 117 LEU HA H 740 3.841 3.799 0.042 1
1 1187 . 6 1 1 A 117 117 LEU CB C 740 42.005 41.093 0.912 1
1 1200 . 6 1 1 A 118 118 THR N N 741 116.995 110.066 6.929 1
1 1201 . 6 1 1 A 118 118 THR H H 741 8.152 7.742 0.410 1
1 1202 . 6 1 1 A 118 118 THR CA C 741 68.068 65.757 2.311 1
1 1203 . 6 1 1 A 118 118 THR HA H 741 4.054 4.126 -0.072 1
1 1204 . 6 1 1 A 118 118 THR CB C 741 68.392 68.292 0.100 1
1 1210 . 6 1 1 A 119 119 LEU N N 742 127.180 123.902 3.278 1
1 1211 . 6 1 1 A 119 119 LEU H H 742 8.804 8.027 0.777 1
1 1212 . 6 1 1 A 119 119 LEU CA C 742 58.460 58.360 0.100 1
1 1213 . 6 1 1 A 119 119 LEU HA H 742 4.214 3.917 0.297 1
1 1214 . 6 1 1 A 119 119 LEU CB C 742 42.491 42.031 0.460 1
1 1227 . 6 1 1 A 120 120 ILE N N 743 120.880 119.260 1.620 1
1 1228 . 6 1 1 A 120 120 ILE H H 743 7.884 8.246 -0.362 1
1 1229 . 6 1 1 A 120 120 ILE CA C 743 65.546 65.220 0.326 1
1 1230 . 6 1 1 A 120 120 ILE HA H 743 4.101 3.333 0.768 1
1 1231 . 6 1 1 A 120 120 ILE CB C 743 38.693 37.592 1.101 1
1 1244 . 6 1 1 A 121 121 ARG N N 744 119.772 120.630 -0.858 1
1 1245 . 6 1 1 A 121 121 ARG H H 744 8.792 8.738 0.054 1
1 1246 . 6 1 1 A 121 121 ARG CA C 744 60.369 59.488 0.881 1
1 1247 . 6 1 1 A 121 121 ARG HA H 744 3.896 3.878 0.018 1
1 1248 . 6 1 1 A 121 121 ARG CB C 744 30.241 30.003 0.238 1
1 1257 . 6 1 1 A 122 122 ALA N N 745 120.978 119.838 1.140 1
1 1258 . 6 1 1 A 122 122 ALA H H 745 8.303 7.646 0.657 1
1 1259 . 6 1 1 A 122 122 ALA CA C 745 55.203 54.751 0.452 1
1 1260 . 6 1 1 A 122 122 ALA HA H 745 4.246 3.985 0.261 1
1 1261 . 6 1 1 A 122 122 ALA CB C 745 18.005 18.327 -0.322 1
1 1265 . 6 1 1 A 123 123 ARG N N 746 119.408 117.729 1.679 1
1 1266 . 6 1 1 A 123 123 ARG H H 746 8.224 7.843 0.381 1
1 1267 . 6 1 1 A 123 123 ARG CA C 746 59.895 58.944 0.951 1
1 1268 . 6 1 1 A 123 123 ARG HA H 746 4.335 3.707 0.628 1
1 1269 . 6 1 1 A 123 123 ARG CB C 746 29.768 29.148 0.620 1
1 1279 . 6 1 1 A 124 124 LEU N N 747 125.115 120.897 4.218 1
1 1280 . 6 1 1 A 124 124 LEU H H 747 9.029 8.016 1.013 1
1 1281 . 6 1 1 A 124 124 LEU CA C 747 57.559 57.271 0.288 1
1 1282 . 6 1 1 A 124 124 LEU HA H 747 4.925 3.901 1.024 1
1 1283 . 6 1 1 A 124 124 LEU CB C 747 42.721 41.631 1.090 1
1 1296 . 6 1 1 A 125 125 GLN N N 748 114.117 115.925 -1.808 1
1 1297 . 6 1 1 A 125 125 GLN H H 748 8.418 7.123 1.295 1
1 1298 . 6 1 1 A 125 125 GLN CA C 748 55.664 55.698 -0.034 1
1 1299 . 6 1 1 A 125 125 GLN HA H 748 4.444 4.334 0.110 1
1 1300 . 6 1 1 A 125 125 GLN CB C 748 29.301 29.131 0.170 1
1 1309 . 6 1 1 A 126 126 GLU N N 749 113.381 118.179 -4.798 1
1 1310 . 6 1 1 A 126 126 GLU H H 749 7.978 8.256 -0.278 1
1 1311 . 6 1 1 A 126 126 GLU CA C 749 57.789 57.810 -0.021 1
1 1312 . 6 1 1 A 126 126 GLU HA H 749 4.156 3.947 0.209 1
1 1313 . 6 1 1 A 126 126 GLU CB C 749 25.906 29.452 -3.546 1
1 1318 . 6 1 1 A 127 127 LYS N N 750 116.557 120.048 -3.491 1
1 1319 . 6 1 1 A 127 127 LYS H H 750 8.538 8.163 0.375 1
1 1320 . 6 1 1 A 127 127 LYS CA C 750 56.417 58.844 -2.427 1
1 1321 . 6 1 1 A 127 127 LYS HA H 750 4.344 4.031 0.313 1
1 1322 . 6 1 1 A 127 127 LYS CB C 750 33.029 31.885 1.144 1
1 1332 . 6 1 1 A 128 128 LEU N N 751 119.986 121.779 -1.793 1
1 1333 . 6 1 1 A 128 128 LEU H H 751 6.949 7.775 -0.826 1
1 1334 . 6 1 1 A 128 128 LEU CA C 751 53.476 58.108 -4.632 1
1 1335 . 6 1 1 A 128 128 LEU HA H 751 4.532 3.944 0.588 1
1 1336 . 6 1 1 A 128 128 LEU CB C 751 45.503 42.351 3.152 1
1 1349 . 6 1 1 A 129 129 SER N N 752 118.455 111.474 6.981 1
1 1350 . 6 1 1 A 129 129 SER H H 752 8.225 7.935 0.290 1
1 1351 . 6 1 1 A 129 129 SER CA C 752 56.129 59.169 -3.040 1
1 1352 . 6 1 1 A 129 129 SER HA H 752 4.434 4.677 -0.243 1
1 1353 . 6 1 1 A 129 129 SER CB C 752 63.911 65.479 -1.568 1
1 1356 . 6 1 1 A 130 130 PRO CA C 753 61.355 62.000 -0.645 1
1 1357 . 6 1 1 A 130 130 PRO HA H 753 5.026 4.615 0.411 1
1 1358 . 6 1 1 A 130 130 PRO CB C 753 32.831 33.086 -0.255 1
1 1366 . 6 1 1 A 131 131 PRO CA C 754 62.470 65.787 -3.317 1
1 1367 . 6 1 1 A 131 131 PRO HA H 754 4.651 4.376 0.275 1
1 1368 . 6 1 1 A 131 131 PRO CB C 754 32.403 31.398 1.005 1
1 1377 . 6 1 1 A 132 132 TYR N N 755 121.321 116.008 5.313 1
1 1378 . 6 1 1 A 132 132 TYR H H 755 9.635 8.138 1.497 1
1 1379 . 6 1 1 A 132 132 TYR CA C 755 60.382 58.747 1.635 1
1 1380 . 6 1 1 A 132 132 TYR HA H 755 4.433 4.327 0.106 1
1 1381 . 6 1 1 A 132 132 TYR CB C 755 38.713 37.131 1.582 1
1 1388 . 6 1 1 A 133 133 SER N N 756 114.917 120.929 -6.012 1
1 1389 . 6 1 1 A 133 133 SER H H 756 9.343 8.174 1.169 1
1 1390 . 6 1 1 A 133 133 SER CA C 756 58.776 57.461 1.315 1
1 1391 . 6 1 1 A 133 133 SER HA H 756 4.430 4.795 -0.365 1
1 1392 . 6 1 1 A 133 133 SER CB C 756 64.839 64.680 0.159 1
1 1394 . 6 1 1 A 134 134 SER N N 757 112.021 113.424 -1.403 1
1 1395 . 6 1 1 A 134 134 SER H H 757 7.500 7.959 -0.459 1
1 1396 . 6 1 1 A 134 134 SER CA C 757 56.158 55.964 0.194 1
1 1397 . 6 1 1 A 134 134 SER HA H 757 4.950 5.062 -0.112 1
1 1398 . 6 1 1 A 134 134 SER CB C 757 63.906 65.455 -1.549 1
1 1401 . 6 1 1 A 135 135 PRO CA C 758 64.159 64.289 -0.130 1
1 1402 . 6 1 1 A 135 135 PRO HA H 758 4.132 4.601 -0.469 1
1 1403 . 6 1 1 A 135 135 PRO CB C 758 31.649 31.353 0.296 1
1 1412 . 6 1 1 A 136 136 GLN N N 759 116.382 116.703 -0.321 1
1 1413 . 6 1 1 A 136 136 GLN H H 759 8.067 8.329 -0.262 1
1 1414 . 6 1 1 A 136 136 GLN CA C 759 59.483 58.859 0.624 1
1 1415 . 6 1 1 A 136 136 GLN HA H 759 3.963 4.128 -0.165 1
1 1416 . 6 1 1 A 136 136 GLN CB C 759 27.414 29.061 -1.647 1
1 1425 . 6 1 1 A 137 137 GLU N N 760 121.764 117.730 4.034 1
1 1426 . 6 1 1 A 137 137 GLU H H 760 7.826 8.056 -0.230 1
1 1427 . 6 1 1 A 137 137 GLU CA C 760 59.184 58.728 0.456 1
1 1428 . 6 1 1 A 137 137 GLU HA H 760 4.063 3.850 0.213 1
1 1429 . 6 1 1 A 137 137 GLU CB C 760 30.403 28.601 1.802 1
1 1435 . 6 1 1 A 138 138 PHE N N 761 120.582 121.212 -0.630 1
1 1436 . 6 1 1 A 138 138 PHE H H 761 6.900 8.290 -1.390 1
1 1437 . 6 1 1 A 138 138 PHE CA C 761 60.105 61.796 -1.691 1
1 1438 . 6 1 1 A 138 138 PHE HA H 761 3.604 4.422 -0.818 1
1 1439 . 6 1 1 A 138 138 PHE CB C 761 38.271 39.826 -1.555 1
1 1448 . 6 1 1 A 139 139 ALA N N 762 120.917 121.031 -0.114 1
1 1449 . 6 1 1 A 139 139 ALA H H 762 8.399 8.096 0.303 1
1 1450 . 6 1 1 A 139 139 ALA CA C 762 54.940 55.504 -0.564 1
1 1451 . 6 1 1 A 139 139 ALA HA H 762 3.804 4.458 -0.654 1
1 1452 . 6 1 1 A 139 139 ALA CB C 762 18.001 18.701 -0.700 1
1 1456 . 6 1 1 A 140 140 GLN N N 763 119.041 117.485 1.556 1
1 1457 . 6 1 1 A 140 140 GLN H H 763 8.436 8.651 -0.215 1
1 1458 . 6 1 1 A 140 140 GLN CA C 763 58.474 59.208 -0.734 1
1 1459 . 6 1 1 A 140 140 GLN HA H 763 4.056 3.954 0.102 1
1 1460 . 6 1 1 A 140 140 GLN CB C 763 28.345 28.055 0.290 1
1 1469 . 6 1 1 A 141 141 ASP N N 764 122.985 119.745 3.240 1
1 1470 . 6 1 1 A 141 141 ASP H H 764 7.694 7.881 -0.187 1
1 1471 . 6 1 1 A 141 141 ASP CA C 764 57.087 57.239 -0.152 1
1 1472 . 6 1 1 A 141 141 ASP HA H 764 4.517 4.321 0.196 1
1 1473 . 6 1 1 A 141 141 ASP CB C 764 39.897 40.669 -0.772 1
1 1476 . 6 1 1 A 142 142 VAL N N 765 119.630 118.739 0.891 1
1 1477 . 6 1 1 A 142 142 VAL H H 765 7.431 8.360 -0.929 1
1 1478 . 6 1 1 A 142 142 VAL CA C 765 66.489 65.562 0.927 1
1 1479 . 6 1 1 A 142 142 VAL HA H 765 2.740 3.176 -0.436 1
1 1480 . 6 1 1 A 142 142 VAL CB C 765 30.729 30.993 -0.264 1
1 1490 . 6 1 1 A 143 143 GLY N N 766 104.089 107.152 -3.063 1
1 1491 . 6 1 1 A 143 143 GLY H H 766 8.089 8.504 -0.415 1
1 1492 . 6 1 1 A 143 143 GLY CA C 766 47.271 46.854 0.417 1
1 1493 . 6 1 1 A 143 143 GLY HA3 H 766 3.783 3.601 0.182 1
1 1494 . 6 1 1 A 143 143 GLY HA2 H 766 3.870 3.514 0.356 1
1 1495 . 6 1 1 A 144 144 ARG N N 767 123.406 121.982 1.424 1
1 1496 . 6 1 1 A 144 144 ARG H H 767 8.270 8.572 -0.302 1
1 1497 . 6 1 1 A 144 144 ARG CA C 767 59.627 59.161 0.466 1
1 1498 . 6 1 1 A 144 144 ARG HA H 767 4.026 4.087 -0.061 1
1 1499 . 6 1 1 A 144 144 ARG CB C 767 30.003 29.754 0.249 1
1 1507 . 6 1 1 A 145 145 MET N N 768 121.310 118.681 2.629 1
1 1508 . 6 1 1 A 145 145 MET H H 768 8.053 8.375 -0.322 1
1 1509 . 6 1 1 A 145 145 MET CA C 768 58.727 58.912 -0.185 1
1 1510 . 6 1 1 A 145 145 MET HA H 768 3.932 4.033 -0.101 1
1 1511 . 6 1 1 A 145 145 MET CB C 768 31.536 31.509 0.027 1
1 1521 . 6 1 1 A 146 146 PHE N N 769 117.125 118.618 -1.493 1
1 1522 . 6 1 1 A 146 146 PHE H H 769 8.005 8.638 -0.633 1
1 1523 . 6 1 1 A 146 146 PHE CA C 769 59.441 61.521 -2.080 1
1 1524 . 6 1 1 A 146 146 PHE HA H 769 4.582 4.579 0.003 1
1 1525 . 6 1 1 A 146 146 PHE CB C 769 37.558 38.445 -0.887 1
1 1534 . 6 1 1 A 147 147 LYS N N 770 119.226 118.656 0.570 1
1 1535 . 6 1 1 A 147 147 LYS H H 770 8.078 8.269 -0.191 1
1 1536 . 6 1 1 A 147 147 LYS CA C 770 59.479 59.547 -0.068 1
1 1537 . 6 1 1 A 147 147 LYS HA H 770 4.153 3.996 0.157 1
1 1538 . 6 1 1 A 147 147 LYS CB C 770 32.336 32.190 0.146 1
1 1547 . 6 1 1 A 148 148 GLN N N 771 118.870 118.247 0.623 1
1 1548 . 6 1 1 A 148 148 GLN H H 771 8.338 8.387 -0.049 1
1 1549 . 6 1 1 A 148 148 GLN CA C 771 58.440 58.436 0.004 1
1 1550 . 6 1 1 A 148 148 GLN HA H 771 4.140 4.206 -0.066 1
1 1551 . 6 1 1 A 148 148 GLN CB C 771 28.382 28.189 0.193 1
1 1560 . 6 1 1 A 149 149 PHE N N 772 120.162 121.157 -0.995 1
1 1561 . 6 1 1 A 149 149 PHE H H 772 8.411 8.409 0.002 1
1 1562 . 6 1 1 A 149 149 PHE CA C 772 60.460 61.136 -0.676 1
1 1563 . 6 1 1 A 149 149 PHE HA H 772 4.433 4.277 0.156 1
1 1564 . 6 1 1 A 149 149 PHE CB C 772 39.428 39.254 0.174 1
1 1573 . 6 1 1 A 150 150 ASN N N 773 117.836 117.330 0.506 1
1 1574 . 6 1 1 A 150 150 ASN H H 773 8.279 8.710 -0.431 1
1 1575 . 6 1 1 A 150 150 ASN HA H 773 4.375 4.765 -0.390 1
1 1576 . 6 1 1 A 150 150 ASN CB C 773 38.977 38.433 0.544 1
1 1582 . 6 1 1 A 151 151 LYS N N 774 118.045 117.078 0.967 1
1 1583 . 6 1 1 A 151 151 LYS H H 774 7.648 7.686 -0.038 1
1 1584 . 6 1 1 A 151 151 LYS CA C 774 57.563 57.467 0.096 1
1 1585 . 6 1 1 A 151 151 LYS HA H 774 4.225 4.208 0.017 1
1 1586 . 6 1 1 A 151 151 LYS CB C 774 32.333 32.814 -0.481 1
1 1595 . 6 1 1 A 152 152 LEU N N 775 119.031 117.494 1.537 1
1 1596 . 6 1 1 A 152 152 LEU H H 775 7.825 7.877 -0.052 1
1 1597 . 6 1 1 A 152 152 LEU CA C 775 55.990 54.888 1.102 1
1 1598 . 6 1 1 A 152 152 LEU HA H 775 4.270 4.385 -0.115 1
1 1599 . 6 1 1 A 152 152 LEU CB C 775 42.487 42.395 0.092 1
1 1612 . 6 1 1 A 153 153 THR N N 776 110.107 111.262 -1.155 1
1 1613 . 6 1 1 A 153 153 THR H H 776 7.525 7.494 0.031 1
1 1614 . 6 1 1 A 153 153 THR CA C 776 61.535 62.185 -0.650 1
1 1615 . 6 1 1 A 153 153 THR HA H 776 4.332 4.295 0.037 1
1 1616 . 6 1 1 A 153 153 THR CB C 776 69.570 68.923 0.647 1
1 1622 . 6 1 1 A 154 154 GLU N N 777 122.427 122.554 -0.127 1
1 1623 . 6 1 1 A 154 154 GLU H H 777 8.027 8.491 -0.464 1
1 1624 . 6 1 1 A 154 154 GLU CA C 777 57.720 58.560 -0.840 1
1 1625 . 6 1 1 A 154 154 GLU HA H 777 4.216 4.074 0.142 1
1 1626 . 6 1 1 A 154 154 GLU CB C 777 29.977 28.219 1.758 1
1 1631 . 6 1 1 A 155 155 ASP N N 778 119.283 119.669 -0.386 1
1 1632 . 6 1 1 A 155 155 ASP H H 778 8.372 7.994 0.378 1
1 1633 . 6 1 1 A 155 155 ASP CA C 778 54.709 56.142 -1.433 1
1 1634 . 6 1 1 A 155 155 ASP HA H 778 4.602 4.525 0.077 1
1 1635 . 6 1 1 A 155 155 ASP CB C 778 40.600 40.841 -0.241 1
1 1638 . 6 1 1 A 156 156 LYS N N 779 120.684 120.327 0.357 1
1 1639 . 6 1 1 A 156 156 LYS H H 779 8.068 7.908 0.160 1
1 1640 . 6 1 1 A 156 156 LYS CA C 779 56.388 54.908 1.480 1
1 1641 . 6 1 1 A 156 156 LYS HA H 779 4.333 4.347 -0.014 1
1 1642 . 6 1 1 A 156 156 LYS CB C 779 32.814 33.904 -1.090 1
1 1651 . 6 1 1 A 157 157 ALA N N 780 123.182 123.757 -0.575 1
1 1652 . 6 1 1 A 157 157 ALA H H 780 8.197 8.494 -0.297 1
1 1653 . 6 1 1 A 157 157 ALA CA C 780 52.591 54.051 -1.460 1
1 1654 . 6 1 1 A 157 157 ALA HA H 780 4.337 4.294 0.043 1
1 1655 . 6 1 1 A 157 157 ALA CB C 780 19.186 19.009 0.177 1
1 1659 . 6 1 1 A 158 158 ASP N N 781 118.794 113.227 5.567 1
1 1660 . 6 1 1 A 158 158 ASP H H 781 8.222 7.464 0.758 1
1 1661 . 6 1 1 A 158 158 ASP CA C 781 54.003 55.406 -1.403 1
1 1662 . 6 1 1 A 158 158 ASP HA H 781 4.673 4.704 -0.031 1
1 1663 . 6 1 1 A 158 158 ASP CB C 781 41.075 42.057 -0.982 1
1 1666 . 6 1 1 A 159 159 VAL N N 782 120.713 117.321 3.392 1
1 1667 . 6 1 1 A 159 159 VAL H H 782 8.039 8.319 -0.280 1
1 1668 . 6 1 1 A 159 159 VAL CA C 782 63.898 64.405 -0.507 1
1 1669 . 6 1 1 A 159 159 VAL HA H 782 4.028 3.998 0.030 1
1 1670 . 6 1 1 A 159 159 VAL CB C 782 32.181 32.457 -0.276 1
1 1680 . 6 1 1 A 160 160 GLN N N 783 120.756 122.275 -1.519 1
1 1681 . 6 1 1 A 160 160 GLN H H 783 8.370 8.371 -0.001 1
1 1682 . 6 1 1 A 160 160 GLN CA C 783 57.563 58.346 -0.783 1
1 1683 . 6 1 1 A 160 160 GLN HA H 783 4.219 4.002 0.217 1
1 1684 . 6 1 1 A 160 160 GLN CB C 783 28.410 28.260 0.150 1
1 1691 . 6 1 1 A 161 161 SER N N 784 116.111 114.550 1.561 1
1 1692 . 6 1 1 A 161 161 SER H H 784 8.190 7.703 0.487 1
1 1693 . 6 1 1 A 161 161 SER CA C 784 60.089 61.042 -0.953 1
1 1694 . 6 1 1 A 161 161 SER HA H 784 4.361 4.301 0.060 1
1 1695 . 6 1 1 A 161 161 SER CB C 784 62.955 62.733 0.222 1
1 1698 . 6 1 1 A 162 162 ILE N N 785 122.105 121.278 0.827 1
1 1699 . 6 1 1 A 162 162 ILE H H 785 8.014 7.840 0.174 1
1 1700 . 6 1 1 A 162 162 ILE CA C 785 62.963 64.178 -1.215 1
1 1701 . 6 1 1 A 162 162 ILE HA H 785 3.986 3.374 0.612 1
1 1702 . 6 1 1 A 162 162 ILE CB C 785 37.568 37.272 0.296 1
1 1715 . 6 1 1 A 163 163 ILE N N 786 122.150 121.613 0.537 1
1 1716 . 6 1 1 A 163 163 ILE H H 786 7.913 8.590 -0.677 1
1 1717 . 6 1 1 A 163 163 ILE CA C 786 64.074 65.134 -1.060 1
1 1718 . 6 1 1 A 163 163 ILE HA H 786 3.947 3.701 0.246 1
1 1719 . 6 1 1 A 163 163 ILE CB C 786 37.561 37.961 -0.400 1
1 1732 . 6 1 1 A 164 164 GLY N N 787 107.177 107.699 -0.522 1
1 1733 . 6 1 1 A 164 164 GLY H H 787 8.057 7.842 0.215 1
1 1734 . 6 1 1 A 164 164 GLY CA C 787 46.938 47.057 -0.119 1
1 1735 . 6 1 1 A 164 164 GLY HA3 H 787 3.907 3.818 0.089 1
1 1736 . 6 1 1 A 164 164 GLY HA2 H 787 4.007 3.798 0.209 1
1 1737 . 6 1 1 A 165 165 LEU N N 788 123.590 123.076 0.514 1
1 1738 . 6 1 1 A 165 165 LEU H H 788 7.676 7.548 0.128 1
1 1739 . 6 1 1 A 165 165 LEU CA C 788 57.738 56.833 0.905 1
1 1740 . 6 1 1 A 165 165 LEU HA H 788 4.052 3.844 0.208 1
1 1741 . 6 1 1 A 165 165 LEU CB C 788 40.833 41.489 -0.656 1
1 1753 . 6 1 1 A 166 166 GLN N N 789 119.114 118.894 0.220 1
1 1754 . 6 1 1 A 166 166 GLN H H 789 7.956 8.297 -0.341 1
1 1755 . 6 1 1 A 166 166 GLN CA C 789 59.445 58.823 0.622 1
1 1756 . 6 1 1 A 166 166 GLN HA H 789 3.844 3.628 0.216 1
1 1757 . 6 1 1 A 166 166 GLN CB C 789 27.826 27.887 -0.061 1
1 1765 . 6 1 1 A 167 167 ARG N N 790 118.851 119.863 -1.012 1
1 1766 . 6 1 1 A 167 167 ARG H H 790 8.387 8.176 0.211 1
1 1767 . 6 1 1 A 167 167 ARG CA C 790 58.942 58.591 0.351 1
1 1768 . 6 1 1 A 167 167 ARG HA H 790 4.191 4.141 0.050 1
1 1769 . 6 1 1 A 167 167 ARG CB C 790 29.829 30.382 -0.553 1
1 1776 . 6 1 1 A 168 168 PHE N N 791 122.408 121.028 1.380 1
1 1777 . 6 1 1 A 168 168 PHE H H 791 8.127 8.467 -0.340 1
1 1778 . 6 1 1 A 168 168 PHE CA C 791 61.976 61.530 0.446 1
1 1779 . 6 1 1 A 168 168 PHE HA H 791 4.164 4.300 -0.136 1
1 1780 . 6 1 1 A 168 168 PHE CB C 791 38.894 39.688 -0.794 1
1 1788 . 6 1 1 A 169 169 PHE N N 792 119.223 120.505 -1.282 1
1 1789 . 6 1 1 A 169 169 PHE H H 792 8.500 9.188 -0.688 1
1 1790 . 6 1 1 A 169 169 PHE CA C 792 61.093 62.141 -1.048 1
1 1791 . 6 1 1 A 169 169 PHE HA H 792 4.053 4.430 -0.377 1
1 1792 . 6 1 1 A 169 169 PHE CB C 792 39.182 39.700 -0.518 1
1 1800 . 6 1 1 A 170 170 GLU N N 793 119.089 118.167 0.922 1
1 1801 . 6 1 1 A 170 170 GLU H H 793 8.718 8.345 0.373 1
1 1802 . 6 1 1 A 170 170 GLU CA C 793 59.843 59.230 0.613 1
1 1803 . 6 1 1 A 170 170 GLU HA H 793 3.483 3.658 -0.175 1
1 1804 . 6 1 1 A 170 170 GLU CB C 793 29.372 29.174 0.198 1
1 1810 . 6 1 1 A 171 171 THR N N 794 115.081 117.857 -2.776 1
1 1811 . 6 1 1 A 171 171 THR H H 794 8.205 8.020 0.185 1
1 1812 . 6 1 1 A 171 171 THR CA C 794 66.661 66.844 -0.183 1
1 1813 . 6 1 1 A 171 171 THR HA H 794 3.935 3.630 0.305 1
1 1814 . 6 1 1 A 171 171 THR CB C 794 68.604 68.246 0.358 1
1 1820 . 6 1 1 A 172 172 ARG N N 795 120.165 119.195 0.970 1
1 1821 . 6 1 1 A 172 172 ARG H H 795 7.776 7.662 0.114 1
1 1822 . 6 1 1 A 172 172 ARG CA C 795 57.535 59.492 -1.957 1
1 1823 . 6 1 1 A 172 172 ARG HA H 795 4.030 4.067 -0.037 1
1 1824 . 6 1 1 A 172 172 ARG CB C 795 29.886 30.272 -0.386 1
1 1828 . 6 1 1 A 173 173 MET N N 796 120.347 119.093 1.254 1
1 1829 . 6 1 1 A 173 173 MET H H 796 8.503 7.950 0.553 1
1 1830 . 6 1 1 A 173 173 MET CA C 796 57.453 57.949 -0.496 1
1 1831 . 6 1 1 A 173 173 MET HA H 796 4.383 4.149 0.234 1
1 1832 . 6 1 1 A 173 173 MET CB C 796 30.469 32.209 -1.740 1
1 1840 . 6 1 1 A 174 174 ASN N N 797 119.200 117.038 2.162 1
1 1841 . 6 1 1 A 174 174 ASN H H 797 8.351 7.392 0.959 1
1 1842 . 6 1 1 A 174 174 ASN CA C 797 55.851 55.223 0.628 1
1 1843 . 6 1 1 A 174 174 ASN HA H 797 4.510 4.716 -0.206 1
1 1844 . 6 1 1 A 174 174 ASN CB C 797 38.213 38.764 -0.551 1
1 1850 . 6 1 1 A 175 175 GLU N N 798 119.589 118.730 0.859 1
1 1851 . 6 1 1 A 175 175 GLU H H 798 7.896 8.579 -0.683 1
1 1852 . 6 1 1 A 175 175 GLU CA C 798 59.033 59.323 -0.290 1
1 1853 . 6 1 1 A 175 175 GLU HA H 798 3.967 4.057 -0.090 1
1 1854 . 6 1 1 A 175 175 GLU CB C 798 29.296 29.678 -0.382 1
1 1860 . 6 1 1 A 176 176 ALA N N 799 116.937 120.781 -3.844 1
1 1861 . 6 1 1 A 176 176 ALA H H 799 8.030 7.962 0.068 1
1 1862 . 6 1 1 A 176 176 ALA CA C 799 54.179 53.798 0.381 1
1 1863 . 6 1 1 A 176 176 ALA HA H 799 4.085 4.258 -0.173 1
1 1864 . 6 1 1 A 176 176 ALA CB C 799 19.432 19.337 0.095 1
1 1868 . 6 1 1 A 177 177 PHE N N 800 112.840 115.445 -2.605 1
1 1869 . 6 1 1 A 177 177 PHE H H 800 8.544 7.798 0.746 1
1 1870 . 6 1 1 A 177 177 PHE CA C 800 59.182 57.609 1.573 1
1 1871 . 6 1 1 A 177 177 PHE HA H 800 4.515 4.729 -0.214 1
1 1872 . 6 1 1 A 177 177 PHE CB C 800 39.642 38.721 0.921 1
1 1881 . 6 1 1 A 178 178 GLY N N 801 110.339 107.047 3.292 1
1 1882 . 6 1 1 A 178 178 GLY H H 801 7.974 7.564 0.410 1
1 1883 . 6 1 1 A 178 178 GLY CA C 801 45.607 46.042 -0.435 1
1 1884 . 6 1 1 A 178 178 GLY HA3 H 801 3.988 4.084 -0.096 1
1 1885 . 6 1 1 A 178 178 GLY HA2 H 801 4.031 4.080 -0.049 1
1 1886 . 6 1 1 A 179 179 ASP N N 802 119.627 118.421 1.206 1
1 1887 . 6 1 1 A 179 179 ASP H H 802 8.185 7.502 0.683 1
1 1888 . 6 1 1 A 179 179 ASP CA C 802 53.949 55.586 -1.637 1
1 1889 . 6 1 1 A 179 179 ASP HA H 802 4.679 4.947 -0.268 1
1 1890 . 6 1 1 A 179 179 ASP CB C 802 41.070 43.056 -1.986 1
1 1892 . 6 1 1 A 180 180 THR N N 803 113.769 111.892 1.877 1
1 1893 . 6 1 1 A 180 180 THR H H 803 8.037 8.032 0.005 1
1 1894 . 6 1 1 A 180 180 THR CA C 803 61.885 62.911 -1.026 1
1 1895 . 6 1 1 A 180 180 THR HA H 803 4.331 4.640 -0.309 1
1 1896 . 6 1 1 A 180 180 THR CB C 803 70.002 71.480 -1.478 1
1 1902 . 6 1 1 A 181 181 LYS N N 804 122.277 120.668 1.609 1
1 1903 . 6 1 1 A 181 181 LYS H H 804 8.198 8.101 0.097 1
1 1904 . 6 1 1 A 181 181 LYS CA C 804 56.652 58.313 -1.661 1
1 1905 . 6 1 1 A 181 181 LYS HA H 804 4.151 4.001 0.150 1
1 1906 . 6 1 1 A 181 181 LYS CB C 804 32.377 31.628 0.749 1
1 1914 . 6 1 1 A 182 182 PHE N N 805 119.784 119.203 0.581 1
1 1915 . 6 1 1 A 182 182 PHE H H 805 8.206 8.401 -0.195 1
1 1916 . 6 1 1 A 182 182 PHE CA C 805 57.256 60.033 -2.777 1
1 1917 . 6 1 1 A 182 182 PHE HA H 805 4.664 4.398 0.266 1
1 1918 . 6 1 1 A 182 182 PHE CB C 805 38.774 38.098 0.676 1
1 1927 . 6 1 1 A 183 183 SER N N 806 123.742 115.326 8.416 1
1 1928 . 6 1 1 A 183 183 SER H H 806 8.121 8.776 -0.655 1
1 1929 . 6 1 1 A 183 183 SER CA C 806 58.203 57.819 0.384 1
1 1930 . 6 1 1 A 183 183 SER HA H 806 4.361 4.603 -0.242 1
1 1931 . 6 1 1 A 183 183 SER CB C 806 63.764 62.391 1.373 1
1 1934 . 6 1 1 A 184 184 ALA N N 807 125.704 121.697 4.007 1
1 1935 . 6 1 1 A 184 184 ALA H H 807 8.286 8.240 0.046 1
1 1936 . 6 1 1 A 184 184 ALA CA C 807 52.574 54.164 -1.590 1
1 1937 . 6 1 1 A 184 184 ALA HA H 807 4.360 3.950 0.410 1
1 1938 . 6 1 1 A 184 184 ALA CB C 807 18.947 17.819 1.128 1
1 1942 . 6 1 1 A 185 185 VAL N N 808 118.271 118.486 -0.215 1
1 1943 . 6 1 1 A 185 185 VAL H H 808 7.958 8.439 -0.481 1
1 1944 . 6 1 1 A 185 185 VAL CA C 808 62.216 61.776 0.440 1
1 1945 . 6 1 1 A 185 185 VAL HA H 808 4.151 4.353 -0.202 1
1 1946 . 6 1 1 A 185 185 VAL CB C 808 32.178 32.974 -0.796 1
1 1952 . 6 1 1 A 186 186 LEU N N 809 125.280 120.088 5.192 1
1 1953 . 6 1 1 A 186 186 LEU H H 809 8.195 7.543 0.652 1
1 1954 . 6 1 1 A 186 186 LEU CA C 809 54.474 54.465 0.009 1
1 1955 . 6 1 1 A 186 186 LEU HA H 809 4.430 4.435 -0.005 1
1 1956 . 6 1 1 A 186 186 LEU CB C 809 42.303 42.319 -0.016 1
1 1968 . 6 1 1 A 187 187 VAL N N 810 120.937 115.368 5.569 1
1 1969 . 6 1 1 A 187 187 VAL H H 810 7.985 7.653 0.332 1
1 1970 . 6 1 1 A 187 187 VAL CA C 810 62.004 61.093 0.911 1
1 1971 . 6 1 1 A 187 187 VAL HA H 810 4.155 4.445 -0.290 1
1 1972 . 6 1 1 A 187 187 VAL CB C 810 32.602 32.437 0.165 1
1 1979 . 6 1 1 A 188 188 GLU N N 811 126.353 124.286 2.067 1
1 1980 . 6 1 1 A 188 188 GLU H H 811 8.292 7.616 0.676 1
1 1981 . 6 1 1 A 188 188 GLU CA C 811 54.162 54.775 -0.613 1
1 1982 . 6 1 1 A 188 188 GLU HA H 811 4.609 4.405 0.204 1
1 1983 . 6 1 1 A 188 188 GLU CB C 811 29.775 30.834 -1.059 1
1 1 . 7 1 1 A 2 2 ALA CA C 625 52.969 50.819 2.150 1
1 2 . 7 1 1 A 2 2 ALA HA H 625 4.493 4.689 -0.196 1
1 3 . 7 1 1 A 2 2 ALA CB C 625 19.272 22.873 -3.601 1
1 7 . 7 1 1 A 3 3 THR N N 626 113.570 114.956 -1.386 1
1 8 . 7 1 1 A 3 3 THR H H 626 8.176 8.997 -0.821 1
1 9 . 7 1 1 A 3 3 THR CA C 626 61.314 66.932 -5.618 1
1 10 . 7 1 1 A 3 3 THR HA H 626 4.298 3.923 0.375 1
1 11 . 7 1 1 A 3 3 THR CB C 626 69.270 68.871 0.399 1
1 17 . 7 1 1 A 4 4 ILE N N 627 115.272 118.342 -3.070 1
1 18 . 7 1 1 A 4 4 ILE H H 627 7.549 7.896 -0.347 1
1 19 . 7 1 1 A 4 4 ILE CA C 627 58.731 61.688 -2.957 1
1 20 . 7 1 1 A 4 4 ILE HA H 627 4.258 4.557 -0.299 1
1 21 . 7 1 1 A 4 4 ILE CB C 627 42.246 36.463 5.783 1
1 34 . 7 1 1 A 5 5 CYS N N 628 124.095 125.450 -1.355 1
1 35 . 7 1 1 A 5 5 CYS H H 628 7.766 8.828 -1.062 1
1 36 . 7 1 1 A 5 5 CYS CA C 628 57.978 58.714 -0.736 1
1 37 . 7 1 1 A 5 5 CYS HA H 628 3.781 4.670 -0.889 1
1 38 . 7 1 1 A 5 5 CYS CB C 628 31.436 27.796 3.640 1
1 41 . 7 1 1 A 6 6 ARG N N 629 129.928 127.071 2.857 1
1 42 . 7 1 1 A 6 6 ARG H H 629 9.040 8.132 0.908 1
1 43 . 7 1 1 A 6 6 ARG CA C 629 57.514 59.459 -1.945 1
1 44 . 7 1 1 A 6 6 ARG HA H 629 3.900 3.773 0.127 1
1 45 . 7 1 1 A 6 6 ARG CB C 629 30.251 29.527 0.724 1
1 54 . 7 1 1 A 7 7 VAL N N 630 118.166 119.236 -1.070 1
1 55 . 7 1 1 A 7 7 VAL H H 630 8.734 7.419 1.315 1
1 56 . 7 1 1 A 7 7 VAL CA C 630 65.770 66.784 -1.014 1
1 57 . 7 1 1 A 7 7 VAL HA H 630 4.137 3.621 0.516 1
1 58 . 7 1 1 A 7 7 VAL CB C 630 33.079 31.706 1.373 1
1 68 . 7 1 1 A 8 8 CYS N N 631 116.148 114.342 1.806 1
1 69 . 7 1 1 A 8 8 CYS H H 631 8.143 7.755 0.388 1
1 70 . 7 1 1 A 8 8 CYS CA C 631 59.154 58.352 0.802 1
1 71 . 7 1 1 A 8 8 CYS HA H 631 5.105 4.389 0.716 1
1 72 . 7 1 1 A 8 8 CYS CB C 631 31.184 27.596 3.588 1
1 75 . 7 1 1 A 9 9 GLN N N 632 115.248 115.893 -0.645 1
1 76 . 7 1 1 A 9 9 GLN H H 632 8.132 9.087 -0.955 1
1 77 . 7 1 1 A 9 9 GLN CA C 632 57.404 56.954 0.450 1
1 78 . 7 1 1 A 9 9 GLN HA H 632 4.068 3.760 0.308 1
1 79 . 7 1 1 A 9 9 GLN CB C 632 26.002 26.160 -0.158 1
1 88 . 7 1 1 A 10 10 LYS N N 633 118.420 119.010 -0.590 1
1 89 . 7 1 1 A 10 10 LYS H H 633 8.091 7.846 0.245 1
1 90 . 7 1 1 A 10 10 LYS CA C 633 53.835 53.103 0.732 1
1 91 . 7 1 1 A 10 10 LYS HA H 633 5.046 4.777 0.269 1
1 92 . 7 1 1 A 10 10 LYS CB C 633 33.312 33.337 -0.025 1
1 102 . 7 1 1 A 11 11 PRO CA C 634 62.136 63.029 -0.893 1
1 103 . 7 1 1 A 11 11 PRO HA H 634 5.056 4.730 0.326 1
1 104 . 7 1 1 A 11 11 PRO CB C 634 33.061 32.277 0.784 1
1 112 . 7 1 1 A 12 12 GLY N N 635 106.958 107.912 -0.954 1
1 113 . 7 1 1 A 12 12 GLY H H 635 8.475 7.959 0.516 1
1 114 . 7 1 1 A 12 12 GLY CA C 635 45.303 45.568 -0.265 1
1 115 . 7 1 1 A 12 12 GLY HA3 H 635 3.812 4.433 -0.621 1
1 116 . 7 1 1 A 12 12 GLY HA2 H 635 4.438 4.267 0.171 1
1 117 . 7 1 1 A 13 13 ASP N N 636 124.001 121.385 2.616 1
1 118 . 7 1 1 A 13 13 ASP H H 636 8.729 8.562 0.167 1
1 119 . 7 1 1 A 13 13 ASP CA C 636 54.239 53.351 0.888 1
1 120 . 7 1 1 A 13 13 ASP HA H 636 4.656 4.749 -0.093 1
1 121 . 7 1 1 A 13 13 ASP CB C 636 39.425 39.351 0.074 1
1 124 . 7 1 1 A 14 14 LEU N N 637 121.435 123.982 -2.547 1
1 125 . 7 1 1 A 14 14 LEU H H 637 7.849 7.974 -0.125 1
1 126 . 7 1 1 A 14 14 LEU CA C 637 53.306 54.773 -1.467 1
1 127 . 7 1 1 A 14 14 LEU HA H 637 4.546 4.608 -0.062 1
1 128 . 7 1 1 A 14 14 LEU CB C 637 44.117 42.070 2.047 1
1 141 . 7 1 1 A 15 15 VAL N N 638 118.100 120.272 -2.172 1
1 142 . 7 1 1 A 15 15 VAL H H 638 8.703 8.645 0.058 1
1 143 . 7 1 1 A 15 15 VAL CA C 638 59.865 61.067 -1.202 1
1 144 . 7 1 1 A 15 15 VAL HA H 638 4.383 4.669 -0.286 1
1 145 . 7 1 1 A 15 15 VAL CB C 638 33.305 32.704 0.601 1
1 155 . 7 1 1 A 16 16 MET N N 639 125.271 127.430 -2.159 1
1 156 . 7 1 1 A 16 16 MET H H 639 8.519 8.990 -0.471 1
1 157 . 7 1 1 A 16 16 MET CA C 639 54.122 54.428 -0.306 1
1 158 . 7 1 1 A 16 16 MET HA H 639 5.210 5.085 0.125 1
1 159 . 7 1 1 A 16 16 MET CB C 639 36.310 32.697 3.613 1
1 169 . 7 1 1 A 17 17 CYS N N 640 129.455 126.667 2.788 1
1 170 . 7 1 1 A 17 17 CYS H H 640 9.139 8.747 0.392 1
1 171 . 7 1 1 A 17 17 CYS CA C 640 59.996 60.166 -0.170 1
1 172 . 7 1 1 A 17 17 CYS HA H 640 4.658 4.512 0.146 1
1 173 . 7 1 1 A 17 17 CYS CB C 640 31.238 27.924 3.314 1
1 176 . 7 1 1 A 18 18 ASN N N 641 128.271 125.998 2.273 1
1 177 . 7 1 1 A 18 18 ASN H H 641 8.914 9.292 -0.378 1
1 178 . 7 1 1 A 18 18 ASN CA C 641 55.658 55.073 0.585 1
1 179 . 7 1 1 A 18 18 ASN HA H 641 4.584 4.470 0.114 1
1 180 . 7 1 1 A 18 18 ASN CB C 641 38.955 38.285 0.670 1
1 186 . 7 1 1 A 19 19 GLN N N 642 121.426 114.935 6.491 1
1 187 . 7 1 1 A 19 19 GLN H H 642 9.313 8.075 1.238 1
1 188 . 7 1 1 A 19 19 GLN CA C 642 57.971 56.121 1.850 1
1 189 . 7 1 1 A 19 19 GLN HA H 642 4.502 4.496 0.006 1
1 190 . 7 1 1 A 19 19 GLN CB C 642 30.466 30.738 -0.272 1
1 197 . 7 1 1 A 20 20 CYS N N 643 120.207 115.896 4.311 1
1 198 . 7 1 1 A 20 20 CYS H H 643 8.542 7.862 0.680 1
1 199 . 7 1 1 A 20 20 CYS CA C 643 59.473 57.943 1.530 1
1 200 . 7 1 1 A 20 20 CYS HA H 643 4.663 4.563 0.100 1
1 201 . 7 1 1 A 20 20 CYS CB C 643 31.889 28.080 3.809 1
1 204 . 7 1 1 A 21 21 GLU N N 644 114.113 115.336 -1.223 1
1 205 . 7 1 1 A 21 21 GLU H H 644 7.441 8.279 -0.838 1
1 206 . 7 1 1 A 21 21 GLU CA C 644 57.994 58.969 -0.975 1
1 207 . 7 1 1 A 21 21 GLU HA H 644 4.285 4.005 0.280 1
1 208 . 7 1 1 A 21 21 GLU CB C 644 26.843 27.583 -0.740 1
1 214 . 7 1 1 A 22 22 PHE N N 645 120.911 121.040 -0.129 1
1 215 . 7 1 1 A 22 22 PHE H H 645 8.941 8.912 0.029 1
1 216 . 7 1 1 A 22 22 PHE CA C 645 57.356 59.708 -2.352 1
1 217 . 7 1 1 A 22 22 PHE HA H 645 4.777 4.607 0.170 1
1 218 . 7 1 1 A 22 22 PHE CB C 645 38.709 39.892 -1.183 1
1 226 . 7 1 1 A 23 23 CYS N N 646 115.830 124.478 -8.648 1
1 227 . 7 1 1 A 23 23 CYS H H 646 8.137 8.691 -0.554 1
1 228 . 7 1 1 A 23 23 CYS CA C 646 56.600 58.443 -1.843 1
1 229 . 7 1 1 A 23 23 CYS HA H 646 5.813 5.758 0.055 1
1 230 . 7 1 1 A 23 23 CYS CB C 646 30.951 28.675 2.276 1
1 233 . 7 1 1 A 24 24 PHE N N 647 116.053 120.704 -4.651 1
1 234 . 7 1 1 A 24 24 PHE H H 647 9.011 8.809 0.202 1
1 235 . 7 1 1 A 24 24 PHE CA C 647 56.827 56.686 0.141 1
1 236 . 7 1 1 A 24 24 PHE HA H 647 5.910 4.922 0.988 1
1 237 . 7 1 1 A 24 24 PHE CB C 647 44.608 42.466 2.142 1
1 246 . 7 1 1 A 25 25 HIS N N 648 120.957 122.865 -1.908 1
1 247 . 7 1 1 A 25 25 HIS H H 648 8.427 9.057 -0.630 1
1 248 . 7 1 1 A 25 25 HIS CA C 648 58.971 57.025 1.946 1
1 249 . 7 1 1 A 25 25 HIS HA H 648 4.929 4.330 0.599 1
1 250 . 7 1 1 A 25 25 HIS CB C 648 31.178 29.752 1.426 1
1 257 . 7 1 1 A 26 26 LEU N N 649 123.176 117.174 6.002 1
1 258 . 7 1 1 A 26 26 LEU H H 649 9.369 8.009 1.360 1
1 259 . 7 1 1 A 26 26 LEU CA C 649 59.646 57.641 2.005 1
1 260 . 7 1 1 A 26 26 LEU HA H 649 3.829 3.678 0.151 1
1 261 . 7 1 1 A 26 26 LEU CB C 649 39.426 40.331 -0.905 1
1 274 . 7 1 1 A 27 27 ASP N N 650 109.058 118.422 -9.364 1
1 275 . 7 1 1 A 27 27 ASP H H 650 8.326 9.279 -0.953 1
1 276 . 7 1 1 A 27 27 ASP CA C 650 53.998 56.850 -2.852 1
1 277 . 7 1 1 A 27 27 ASP HA H 650 4.739 4.347 0.392 1
1 278 . 7 1 1 A 27 27 ASP CB C 650 40.331 39.679 0.652 1
1 280 . 7 1 1 A 28 28 CYS N N 651 117.495 116.642 0.853 1
1 281 . 7 1 1 A 28 28 CYS H H 651 7.480 8.091 -0.611 1
1 282 . 7 1 1 A 28 28 CYS CA C 651 61.534 63.655 -2.121 1
1 283 . 7 1 1 A 28 28 CYS HA H 651 4.245 4.338 -0.093 1
1 284 . 7 1 1 A 28 28 CYS CB C 651 31.646 27.446 4.200 1
1 286 . 7 1 1 A 29 29 HIS N N 652 116.384 121.496 -5.112 1
1 287 . 7 1 1 A 29 29 HIS H H 652 6.894 7.771 -0.877 1
1 288 . 7 1 1 A 29 29 HIS CA C 652 59.713 57.849 1.864 1
1 289 . 7 1 1 A 29 29 HIS HA H 652 3.644 4.839 -1.195 1
1 290 . 7 1 1 A 29 29 HIS CB C 652 27.909 30.842 -2.933 1
1 296 . 7 1 1 A 30 30 LEU N N 653 121.110 127.704 -6.594 1
1 297 . 7 1 1 A 30 30 LEU H H 653 4.525 8.374 -3.849 1
1 298 . 7 1 1 A 30 30 LEU CA C 653 51.439 59.304 -7.865 1
1 299 . 7 1 1 A 30 30 LEU HA H 653 4.515 3.116 1.399 1
1 300 . 7 1 1 A 30 30 LEU CB C 653 46.001 40.666 5.335 1
1 312 . 7 1 1 A 31 31 PRO CA C 654 62.964 63.589 -0.625 1
1 313 . 7 1 1 A 31 31 PRO HA H 654 4.471 4.383 0.088 1
1 314 . 7 1 1 A 31 31 PRO CB C 654 34.045 32.355 1.690 1
1 322 . 7 1 1 A 32 32 ALA N N 655 125.871 120.337 5.534 1
1 323 . 7 1 1 A 32 32 ALA H H 655 8.766 8.024 0.742 1
1 324 . 7 1 1 A 32 32 ALA CA C 655 52.771 52.973 -0.202 1
1 325 . 7 1 1 A 32 32 ALA HA H 655 4.349 4.942 -0.593 1
1 326 . 7 1 1 A 32 32 ALA CB C 655 18.177 17.929 0.248 1
1 330 . 7 1 1 A 33 33 LEU N N 656 123.348 126.068 -2.720 1
1 331 . 7 1 1 A 33 33 LEU H H 656 8.230 8.665 -0.435 1
1 332 . 7 1 1 A 33 33 LEU CA C 656 54.014 58.958 -4.944 1
1 333 . 7 1 1 A 33 33 LEU HA H 656 4.445 3.965 0.480 1
1 334 . 7 1 1 A 33 33 LEU CB C 656 43.197 41.919 1.278 1
1 347 . 7 1 1 A 34 34 GLN N N 657 119.992 117.137 2.855 1
1 348 . 7 1 1 A 34 34 GLN H H 657 8.679 7.805 0.874 1
1 349 . 7 1 1 A 34 34 GLN CA C 657 56.354 57.958 -1.604 1
1 350 . 7 1 1 A 34 34 GLN HA H 657 4.159 4.420 -0.261 1
1 351 . 7 1 1 A 34 34 GLN CB C 657 29.555 26.878 2.677 1
1 359 . 7 1 1 A 35 35 ASP N N 658 115.420 115.993 -0.573 1
1 360 . 7 1 1 A 35 35 ASP H H 658 7.457 7.531 -0.074 1
1 361 . 7 1 1 A 35 35 ASP CA C 658 51.696 53.708 -2.012 1
1 362 . 7 1 1 A 35 35 ASP HA H 658 4.626 4.836 -0.210 1
1 363 . 7 1 1 A 35 35 ASP CB C 658 43.431 43.470 -0.039 1
1 366 . 7 1 1 A 36 36 VAL N N 659 122.099 123.759 -1.660 1
1 367 . 7 1 1 A 36 36 VAL H H 659 8.624 8.356 0.268 1
1 368 . 7 1 1 A 36 36 VAL CA C 659 60.994 61.536 -0.542 1
1 369 . 7 1 1 A 36 36 VAL HA H 659 3.752 3.774 -0.022 1
1 370 . 7 1 1 A 36 36 VAL CB C 659 32.087 32.058 0.029 1
1 380 . 7 1 1 A 37 37 PRO CA C 660 62.728 63.317 -0.589 1
1 381 . 7 1 1 A 37 37 PRO HA H 660 4.454 4.591 -0.137 1
1 382 . 7 1 1 A 37 37 PRO CB C 660 32.835 31.420 1.415 1
1 391 . 7 1 1 A 38 38 GLY N N 661 106.940 109.855 -2.915 1
1 392 . 7 1 1 A 38 38 GLY H H 661 8.189 8.334 -0.145 1
1 393 . 7 1 1 A 38 38 GLY CA C 661 44.397 46.970 -2.573 1
1 394 . 7 1 1 A 38 38 GLY HA3 H 661 3.969 3.951 0.018 1
1 395 . 7 1 1 A 38 38 GLY HA2 H 661 4.190 3.946 0.244 1
1 396 . 7 1 1 A 39 39 GLU N N 662 117.365 120.903 -3.538 1
1 397 . 7 1 1 A 39 39 GLU H H 662 8.281 8.031 0.250 1
1 398 . 7 1 1 A 39 39 GLU CA C 662 57.520 58.851 -1.331 1
1 399 . 7 1 1 A 39 39 GLU HA H 662 4.281 4.132 0.149 1
1 400 . 7 1 1 A 39 39 GLU CB C 662 30.013 29.693 0.320 1
1 405 . 7 1 1 A 40 40 GLU N N 663 117.986 116.882 1.104 1
1 406 . 7 1 1 A 40 40 GLU H H 663 8.697 8.214 0.483 1
1 407 . 7 1 1 A 40 40 GLU CA C 663 56.389 55.721 0.668 1
1 408 . 7 1 1 A 40 40 GLU HA H 663 4.293 4.627 -0.334 1
1 409 . 7 1 1 A 40 40 GLU CB C 663 28.787 30.854 -2.067 1
1 414 . 7 1 1 A 41 41 TRP N N 664 124.391 124.341 0.050 1
1 415 . 7 1 1 A 41 41 TRP H H 664 7.967 7.295 0.672 1
1 416 . 7 1 1 A 41 41 TRP CA C 664 59.934 58.492 1.442 1
1 417 . 7 1 1 A 41 41 TRP HA H 664 4.312 4.703 -0.391 1
1 418 . 7 1 1 A 41 41 TRP CB C 664 29.998 30.229 -0.231 1
1 432 . 7 1 1 A 42 42 SER N N 665 120.355 118.538 1.817 1
1 433 . 7 1 1 A 42 42 SER H H 665 6.873 7.748 -0.875 1
1 434 . 7 1 1 A 42 42 SER CA C 665 55.166 56.891 -1.725 1
1 435 . 7 1 1 A 42 42 SER HA H 665 5.259 4.552 0.707 1
1 436 . 7 1 1 A 42 42 SER CB C 665 65.990 66.790 -0.800 1
1 439 . 7 1 1 A 43 43 CYS N N 666 125.642 121.256 4.386 1
1 440 . 7 1 1 A 43 43 CYS H H 666 9.271 8.370 0.901 1
1 441 . 7 1 1 A 43 43 CYS CA C 666 57.325 56.946 0.379 1
1 442 . 7 1 1 A 43 43 CYS HA H 666 3.952 3.708 0.244 1
1 443 . 7 1 1 A 43 43 CYS CB C 666 34.022 27.945 6.077 1
1 446 . 7 1 1 A 44 44 SER N N 667 117.158 115.331 1.827 1
1 447 . 7 1 1 A 44 44 SER H H 667 7.068 8.948 -1.880 1
1 448 . 7 1 1 A 44 44 SER CA C 667 61.353 61.476 -0.123 1
1 449 . 7 1 1 A 44 44 SER HA H 667 4.225 4.156 0.069 1
1 450 . 7 1 1 A 44 44 SER CB C 667 63.693 62.470 1.223 1
1 453 . 7 1 1 A 45 45 LEU N N 668 120.667 121.082 -0.415 1
1 454 . 7 1 1 A 45 45 LEU H H 668 8.965 7.835 1.130 1
1 455 . 7 1 1 A 45 45 LEU CA C 668 57.416 56.044 1.372 1
1 456 . 7 1 1 A 45 45 LEU HA H 668 4.178 4.295 -0.117 1
1 457 . 7 1 1 A 45 45 LEU CB C 668 40.611 41.542 -0.931 1
1 470 . 7 1 1 A 46 46 CYS N N 669 121.872 116.977 4.895 1
1 471 . 7 1 1 A 46 46 CYS H H 669 7.816 7.543 0.273 1
1 472 . 7 1 1 A 46 46 CYS CA C 669 62.557 58.720 3.837 1
1 473 . 7 1 1 A 46 46 CYS HA H 669 3.969 4.579 -0.610 1
1 474 . 7 1 1 A 46 46 CYS CB C 669 30.467 29.757 0.710 1
1 477 . 7 1 1 A 47 47 HIS N N 670 119.396 120.437 -1.041 1
1 478 . 7 1 1 A 47 47 HIS H H 670 8.077 8.492 -0.415 1
1 479 . 7 1 1 A 47 47 HIS CA C 670 55.625 57.682 -2.057 1
1 480 . 7 1 1 A 47 47 HIS HA H 670 4.429 4.416 0.013 1
1 481 . 7 1 1 A 47 47 HIS CB C 670 30.326 30.997 -0.671 1
1 488 . 7 1 1 A 48 48 VAL N N 671 123.528 119.253 4.275 1
1 489 . 7 1 1 A 48 48 VAL H H 671 7.978 7.988 -0.010 1
1 490 . 7 1 1 A 48 48 VAL CA C 671 62.120 65.477 -3.357 1
1 491 . 7 1 1 A 48 48 VAL HA H 671 3.925 3.866 0.059 1
1 492 . 7 1 1 A 48 48 VAL CB C 671 32.396 31.257 1.139 1
1 502 . 7 1 1 A 49 49 LEU N N 672 126.622 120.122 6.500 1
1 503 . 7 1 1 A 49 49 LEU H H 672 8.139 8.267 -0.128 1
1 504 . 7 1 1 A 49 49 LEU CA C 672 52.859 51.510 1.349 1
1 505 . 7 1 1 A 49 49 LEU HA H 672 4.475 4.709 -0.234 1
1 506 . 7 1 1 A 49 49 LEU CB C 672 41.536 45.699 -4.163 1
1 518 . 7 1 1 A 50 50 PRO CA C 673 62.715 65.863 -3.148 1
1 519 . 7 1 1 A 50 50 PRO HA H 673 4.386 4.182 0.204 1
1 520 . 7 1 1 A 50 50 PRO CB C 673 32.093 31.393 0.700 1
1 528 . 7 1 1 A 51 51 ASP N N 674 120.540 118.068 2.472 1
1 529 . 7 1 1 A 51 51 ASP H H 674 8.307 8.041 0.266 1
1 530 . 7 1 1 A 51 51 ASP CA C 674 54.202 55.523 -1.321 1
1 531 . 7 1 1 A 51 51 ASP HA H 674 4.564 4.331 0.233 1
1 532 . 7 1 1 A 51 51 ASP CB C 674 41.030 40.072 0.958 1
1 535 . 7 1 1 A 52 52 LEU N N 675 122.987 116.394 6.593 1
1 536 . 7 1 1 A 52 52 LEU H H 675 8.053 8.363 -0.310 1
1 537 . 7 1 1 A 52 52 LEU CA C 675 54.945 57.113 -2.168 1
1 538 . 7 1 1 A 52 52 LEU HA H 675 4.364 3.951 0.413 1
1 539 . 7 1 1 A 52 52 LEU CB C 675 42.436 40.960 1.476 1
1 551 . 7 1 1 A 53 53 LYS N N 676 122.061 119.428 2.633 1
1 552 . 7 1 1 A 53 53 LYS H H 676 8.340 8.444 -0.104 1
1 553 . 7 1 1 A 53 53 LYS CA C 676 56.060 57.612 -1.552 1
1 554 . 7 1 1 A 53 53 LYS HA H 676 4.331 3.941 0.390 1
1 555 . 7 1 1 A 53 53 LYS CB C 676 32.363 29.930 2.433 1
1 564 . 7 1 1 A 54 54 GLU N N 677 121.909 114.133 7.776 1
1 565 . 7 1 1 A 54 54 GLU H H 677 8.403 8.555 -0.152 1
1 566 . 7 1 1 A 54 54 GLU CA C 677 56.586 58.390 -1.804 1
1 567 . 7 1 1 A 54 54 GLU HA H 677 4.312 4.045 0.267 1
1 568 . 7 1 1 A 54 54 GLU CB C 677 30.221 28.188 2.033 1
1 573 . 7 1 1 A 55 55 GLU N N 678 121.528 123.233 -1.705 1
1 574 . 7 1 1 A 55 55 GLU H H 678 8.486 8.831 -0.345 1
1 575 . 7 1 1 A 55 55 GLU CA C 678 56.368 56.156 0.212 1
1 576 . 7 1 1 A 55 55 GLU HA H 678 4.315 4.454 -0.139 1
1 577 . 7 1 1 A 55 55 GLU CB C 678 28.896 29.464 -0.568 1
1 582 . 7 1 1 A 56 56 ASP N N 679 121.530 118.684 2.846 1
1 583 . 7 1 1 A 56 56 ASP H H 679 8.322 7.703 0.619 1
1 584 . 7 1 1 A 56 56 ASP CA C 679 54.252 54.960 -0.708 1
1 585 . 7 1 1 A 56 56 ASP HA H 679 4.680 4.379 0.301 1
1 586 . 7 1 1 A 56 56 ASP CB C 679 41.146 39.174 1.972 1
1 588 . 7 1 1 A 57 57 GLY N N 680 109.997 108.741 1.256 1
1 589 . 7 1 1 A 57 57 GLY H H 680 8.412 7.913 0.499 1
1 590 . 7 1 1 A 57 57 GLY CA C 680 45.247 46.727 -1.480 1
1 591 . 7 1 1 A 57 57 GLY HA2 H 680 4.020 3.935 0.085 1
1 592 . 7 1 1 A 58 58 SER N N 681 115.994 110.721 5.273 1
1 593 . 7 1 1 A 58 58 SER H H 681 8.280 7.777 0.503 1
1 594 . 7 1 1 A 58 58 SER CA C 681 58.239 57.542 0.697 1
1 595 . 7 1 1 A 58 58 SER HA H 681 3.996 4.628 -0.632 1
1 596 . 7 1 1 A 58 58 SER CB C 681 63.789 64.204 -0.415 1
1 598 . 7 1 1 A 59 59 LEU N N 682 123.362 122.725 0.637 1
1 599 . 7 1 1 A 59 59 LEU H H 682 8.164 7.079 1.085 1
1 600 . 7 1 1 A 59 59 LEU CA C 682 55.160 54.161 0.999 1
1 601 . 7 1 1 A 59 59 LEU HA H 682 4.427 4.858 -0.431 1
1 602 . 7 1 1 A 59 59 LEU CB C 682 42.473 44.941 -2.468 1
1 614 . 7 1 1 A 60 60 SER N N 683 116.385 119.363 -2.978 1
1 615 . 7 1 1 A 60 60 SER H H 683 8.226 8.681 -0.455 1
1 616 . 7 1 1 A 60 60 SER CA C 683 58.004 57.715 0.289 1
1 617 . 7 1 1 A 60 60 SER HA H 683 4.517 4.641 -0.124 1
1 618 . 7 1 1 A 60 60 SER CB C 683 63.651 64.715 -1.064 1
1 620 . 7 1 1 A 61 61 LEU N N 684 124.466 118.608 5.858 1
1 621 . 7 1 1 A 61 61 LEU H H 684 8.303 8.040 0.263 1
1 622 . 7 1 1 A 61 61 LEU CA C 684 54.959 56.288 -1.329 1
1 623 . 7 1 1 A 61 61 LEU HA H 684 4.412 3.801 0.611 1
1 624 . 7 1 1 A 61 61 LEU CB C 684 41.713 40.528 1.185 1
1 635 . 7 1 1 A 62 62 ASP N N 685 120.536 119.365 1.171 1
1 636 . 7 1 1 A 62 62 ASP H H 685 8.267 7.958 0.309 1
1 637 . 7 1 1 A 62 62 ASP CA C 685 54.276 56.064 -1.788 1
1 638 . 7 1 1 A 62 62 ASP HA H 685 4.680 4.335 0.345 1
1 639 . 7 1 1 A 62 62 ASP CB C 685 41.125 40.448 0.677 1
1 642 . 7 1 1 A 63 63 GLY N N 686 109.373 113.710 -4.337 1
1 643 . 7 1 1 A 63 63 GLY H H 686 8.277 8.706 -0.429 1
1 644 . 7 1 1 A 63 63 GLY CA C 686 45.297 45.806 -0.509 1
1 645 . 7 1 1 A 63 63 GLY HA2 H 686 3.992 4.016 -0.024 1
1 646 . 7 1 1 A 64 64 ALA N N 687 123.584 119.889 3.695 1
1 647 . 7 1 1 A 64 64 ALA H H 687 8.129 7.605 0.524 1
1 648 . 7 1 1 A 64 64 ALA CA C 687 52.637 52.630 0.007 1
1 649 . 7 1 1 A 64 64 ALA HA H 687 4.379 4.497 -0.118 1
1 650 . 7 1 1 A 64 64 ALA CB C 687 19.122 19.563 -0.441 1
1 654 . 7 1 1 A 65 65 ASP N N 688 118.924 119.392 -0.468 1
1 655 . 7 1 1 A 65 65 ASP H H 688 8.326 8.058 0.268 1
1 656 . 7 1 1 A 65 65 ASP CA C 688 53.972 54.842 -0.870 1
1 657 . 7 1 1 A 65 65 ASP HA H 688 4.682 4.739 -0.057 1
1 658 . 7 1 1 A 65 65 ASP CB C 688 41.061 41.375 -0.314 1
1 660 . 7 1 1 A 66 66 SER N N 689 116.036 116.975 -0.939 1
1 661 . 7 1 1 A 66 66 SER H H 689 8.285 8.961 -0.676 1
1 662 . 7 1 1 A 66 66 SER CA C 689 58.352 59.535 -1.183 1
1 663 . 7 1 1 A 66 66 SER HA H 689 4.443 4.624 -0.181 1
1 664 . 7 1 1 A 66 66 SER CB C 689 63.665 66.179 -2.514 1
1 666 . 7 1 1 A 67 67 THR N N 690 115.059 110.349 4.710 1
1 667 . 7 1 1 A 67 67 THR H H 690 8.253 7.911 0.342 1
1 668 . 7 1 1 A 67 67 THR CA C 690 62.556 60.997 1.559 1
1 669 . 7 1 1 A 67 67 THR HA H 690 4.379 4.580 -0.201 1
1 670 . 7 1 1 A 67 67 THR CB C 690 69.623 69.192 0.431 1
1 676 . 7 1 1 A 68 68 GLY N N 691 111.091 109.070 2.021 1
1 677 . 7 1 1 A 68 68 GLY H H 691 8.366 8.085 0.281 1
1 678 . 7 1 1 A 68 68 GLY CA C 691 45.297 45.969 -0.672 1
1 679 . 7 1 1 A 68 68 GLY HA2 H 691 4.002 3.900 0.102 1
1 680 . 7 1 1 A 69 69 VAL N N 692 119.280 113.073 6.207 1
1 681 . 7 1 1 A 69 69 VAL H H 692 7.876 8.306 -0.430 1
1 682 . 7 1 1 A 69 69 VAL CA C 692 62.068 62.569 -0.501 1
1 683 . 7 1 1 A 69 69 VAL HA H 692 4.176 3.776 0.400 1
1 684 . 7 1 1 A 69 69 VAL CB C 692 32.322 30.364 1.958 1
1 690 . 7 1 1 A 70 70 VAL N N 693 123.601 122.416 1.185 1
1 691 . 7 1 1 A 70 70 VAL H H 693 8.102 8.288 -0.186 1
1 692 . 7 1 1 A 70 70 VAL CA C 693 61.886 63.388 -1.502 1
1 693 . 7 1 1 A 70 70 VAL HA H 693 4.150 4.242 -0.092 1
1 694 . 7 1 1 A 70 70 VAL CB C 693 32.429 33.497 -1.068 1
1 700 . 7 1 1 A 71 71 ALA N N 694 129.048 122.330 6.718 1
1 701 . 7 1 1 A 71 71 ALA H H 694 8.374 8.013 0.361 1
1 702 . 7 1 1 A 71 71 ALA CA C 694 52.125 53.163 -1.038 1
1 703 . 7 1 1 A 71 71 ALA HA H 694 4.454 4.016 0.438 1
1 704 . 7 1 1 A 71 71 ALA CB C 694 19.203 17.642 1.561 1
1 708 . 7 1 1 A 72 72 LYS N N 695 118.535 118.010 0.525 1
1 709 . 7 1 1 A 72 72 LYS H H 695 7.833 7.889 -0.056 1
1 710 . 7 1 1 A 72 72 LYS CA C 695 54.556 59.476 -4.920 1
1 711 . 7 1 1 A 72 72 LYS HA H 695 4.827 4.109 0.718 1
1 712 . 7 1 1 A 72 72 LYS CB C 695 35.245 32.692 2.553 1
1 722 . 7 1 1 A 73 73 LEU N N 696 121.834 120.562 1.272 1
1 723 . 7 1 1 A 73 73 LEU H H 696 8.772 8.110 0.662 1
1 724 . 7 1 1 A 73 73 LEU CA C 696 54.973 56.548 -1.575 1
1 725 . 7 1 1 A 73 73 LEU HA H 696 4.268 4.302 -0.034 1
1 726 . 7 1 1 A 73 73 LEU CB C 696 42.467 44.014 -1.547 1
1 739 . 7 1 1 A 74 74 SER N N 697 121.120 109.865 11.255 1
1 740 . 7 1 1 A 74 74 SER H H 697 8.890 8.047 0.843 1
1 741 . 7 1 1 A 74 74 SER CA C 697 56.165 57.670 -1.505 1
1 742 . 7 1 1 A 74 74 SER HA H 697 4.710 4.611 0.099 1
1 743 . 7 1 1 A 74 74 SER CB C 697 62.177 65.231 -3.054 1
1 745 . 7 1 1 A 75 75 PRO CA C 698 66.251 65.951 0.300 1
1 746 . 7 1 1 A 75 75 PRO HA H 698 4.350 4.296 0.054 1
1 747 . 7 1 1 A 75 75 PRO CB C 698 31.661 31.477 0.184 1
1 755 . 7 1 1 A 76 76 ALA N N 699 117.914 118.700 -0.786 1
1 756 . 7 1 1 A 76 76 ALA H H 699 8.458 8.171 0.287 1
1 757 . 7 1 1 A 76 76 ALA CA C 699 55.000 55.325 -0.325 1
1 758 . 7 1 1 A 76 76 ALA HA H 699 4.132 4.033 0.099 1
1 759 . 7 1 1 A 76 76 ALA CB C 699 18.785 18.107 0.678 1
1 763 . 7 1 1 A 77 77 ASN N N 700 116.945 116.362 0.583 1
1 764 . 7 1 1 A 77 77 ASN H H 700 7.760 8.329 -0.569 1
1 765 . 7 1 1 A 77 77 ASN CA C 700 55.210 56.539 -1.329 1
1 766 . 7 1 1 A 77 77 ASN HA H 700 4.763 4.221 0.542 1
1 767 . 7 1 1 A 77 77 ASN CB C 700 38.005 37.706 0.299 1
1 770 . 7 1 1 A 78 78 GLN N N 701 124.719 119.588 5.131 1
1 771 . 7 1 1 A 78 78 GLN H H 701 9.480 8.639 0.841 1
1 772 . 7 1 1 A 78 78 GLN CA C 701 59.634 59.169 0.465 1
1 773 . 7 1 1 A 78 78 GLN HA H 701 3.673 4.347 -0.674 1
1 774 . 7 1 1 A 78 78 GLN CB C 701 27.114 28.397 -1.283 1
1 782 . 7 1 1 A 79 79 ARG N N 702 117.069 119.400 -2.331 1
1 783 . 7 1 1 A 79 79 ARG H H 702 7.654 8.067 -0.413 1
1 784 . 7 1 1 A 79 79 ARG CA C 702 57.561 59.440 -1.879 1
1 785 . 7 1 1 A 79 79 ARG HA H 702 4.487 4.068 0.419 1
1 786 . 7 1 1 A 79 79 ARG CB C 702 29.680 29.817 -0.137 1
1 794 . 7 1 1 A 80 80 LYS N N 703 119.251 118.699 0.552 1
1 795 . 7 1 1 A 80 80 LYS H H 703 7.636 8.115 -0.479 1
1 796 . 7 1 1 A 80 80 LYS CA C 703 60.735 59.505 1.230 1
1 797 . 7 1 1 A 80 80 LYS HA H 703 3.702 4.100 -0.398 1
1 798 . 7 1 1 A 80 80 LYS CB C 703 34.002 32.655 1.347 1
1 808 . 7 1 1 A 81 81 CYS N N 704 115.848 118.155 -2.307 1
1 809 . 7 1 1 A 81 81 CYS H H 704 8.031 8.413 -0.382 1
1 810 . 7 1 1 A 81 81 CYS CA C 704 64.823 61.644 3.179 1
1 811 . 7 1 1 A 81 81 CYS HA H 704 3.687 3.827 -0.140 1
1 812 . 7 1 1 A 81 81 CYS CB C 704 26.491 26.823 -0.332 1
1 815 . 7 1 1 A 82 82 GLU N N 705 118.931 120.581 -1.650 1
1 816 . 7 1 1 A 82 82 GLU H H 705 8.286 8.097 0.189 1
1 817 . 7 1 1 A 82 82 GLU CA C 705 59.887 59.052 0.835 1
1 818 . 7 1 1 A 82 82 GLU HA H 705 3.589 3.888 -0.299 1
1 819 . 7 1 1 A 82 82 GLU CB C 705 29.067 29.159 -0.092 1
1 825 . 7 1 1 A 83 83 ARG N N 706 119.029 120.039 -1.010 1
1 826 . 7 1 1 A 83 83 ARG H H 706 7.931 7.845 0.086 1
1 827 . 7 1 1 A 83 83 ARG CA C 706 60.133 58.377 1.756 1
1 828 . 7 1 1 A 83 83 ARG HA H 706 3.748 4.830 -1.082 1
1 829 . 7 1 1 A 83 83 ARG CB C 706 30.197 29.192 1.005 1
1 838 . 7 1 1 A 84 84 VAL N N 707 119.247 120.439 -1.192 1
1 839 . 7 1 1 A 84 84 VAL H H 707 7.762 7.726 0.036 1
1 840 . 7 1 1 A 84 84 VAL CA C 707 67.133 65.206 1.927 1
1 841 . 7 1 1 A 84 84 VAL HA H 707 3.562 4.041 -0.479 1
1 842 . 7 1 1 A 84 84 VAL CB C 707 31.857 32.242 -0.385 1
1 852 . 7 1 1 A 85 85 LEU N N 708 119.414 120.423 -1.009 1
1 853 . 7 1 1 A 85 85 LEU H H 708 8.844 8.674 0.170 1
1 854 . 7 1 1 A 85 85 LEU CA C 708 57.561 58.334 -0.773 1
1 855 . 7 1 1 A 85 85 LEU HA H 708 4.366 4.362 0.004 1
1 856 . 7 1 1 A 85 85 LEU CB C 708 41.320 41.599 -0.279 1
1 869 . 7 1 1 A 86 86 LEU N N 709 120.156 120.890 -0.734 1
1 870 . 7 1 1 A 86 86 LEU H H 709 9.044 8.007 1.037 1
1 871 . 7 1 1 A 86 86 LEU CA C 709 57.977 58.081 -0.104 1
1 872 . 7 1 1 A 86 86 LEU HA H 709 4.382 4.286 0.096 1
1 873 . 7 1 1 A 86 86 LEU CB C 709 41.069 41.632 -0.563 1
1 886 . 7 1 1 A 87 87 ALA N N 710 121.264 120.666 0.598 1
1 887 . 7 1 1 A 87 87 ALA H H 710 8.136 8.397 -0.261 1
1 888 . 7 1 1 A 87 87 ALA CA C 710 55.439 55.792 -0.353 1
1 889 . 7 1 1 A 87 87 ALA HA H 710 4.217 4.536 -0.319 1
1 890 . 7 1 1 A 87 87 ALA CB C 710 17.525 19.130 -1.605 1
1 894 . 7 1 1 A 88 88 LEU N N 711 117.148 118.605 -1.457 1
1 895 . 7 1 1 A 88 88 LEU H H 711 8.158 8.735 -0.577 1
1 896 . 7 1 1 A 88 88 LEU CA C 711 58.688 57.682 1.006 1
1 897 . 7 1 1 A 88 88 LEU HA H 711 4.401 3.751 0.650 1
1 898 . 7 1 1 A 88 88 LEU CB C 711 41.534 41.936 -0.402 1
1 911 . 7 1 1 A 89 89 PHE N N 712 117.048 116.847 0.201 1
1 912 . 7 1 1 A 89 89 PHE H H 712 8.536 9.230 -0.694 1
1 913 . 7 1 1 A 89 89 PHE CA C 712 62.732 60.894 1.838 1
1 914 . 7 1 1 A 89 89 PHE HA H 712 3.971 4.573 -0.602 1
1 915 . 7 1 1 A 89 89 PHE CB C 712 40.351 38.896 1.455 1
1 922 . 7 1 1 A 90 90 CYS N N 713 111.682 118.187 -6.505 1
1 923 . 7 1 1 A 90 90 CYS H H 713 7.689 8.523 -0.834 1
1 924 . 7 1 1 A 90 90 CYS CA C 713 60.573 62.933 -2.360 1
1 925 . 7 1 1 A 90 90 CYS HA H 713 4.614 3.893 0.721 1
1 926 . 7 1 1 A 90 90 CYS CB C 713 28.820 26.989 1.831 1
1 929 . 7 1 1 A 91 91 HIS N N 714 123.036 116.365 6.671 1
1 930 . 7 1 1 A 91 91 HIS H H 714 7.517 7.841 -0.324 1
1 931 . 7 1 1 A 91 91 HIS CA C 714 54.945 54.799 0.146 1
1 932 . 7 1 1 A 91 91 HIS HA H 714 4.939 4.519 0.420 1
1 933 . 7 1 1 A 91 91 HIS CB C 714 31.433 31.818 -0.385 1
1 940 . 7 1 1 A 92 92 GLU CA C 715 61.506 60.778 0.728 1
1 941 . 7 1 1 A 92 92 GLU HA H 715 4.052 3.955 0.097 1
1 942 . 7 1 1 A 92 92 GLU CB C 715 26.765 29.172 -2.407 1
1 947 . 7 1 1 A 93 93 PRO CA C 716 65.272 66.452 -1.180 1
1 948 . 7 1 1 A 93 93 PRO HA H 716 4.294 4.398 -0.104 1
1 949 . 7 1 1 A 93 93 PRO CB C 716 31.486 31.120 0.366 1
1 958 . 7 1 1 A 94 94 CYS N N 717 110.309 115.788 -5.479 1
1 959 . 7 1 1 A 94 94 CYS H H 717 7.667 8.611 -0.944 1
1 960 . 7 1 1 A 94 94 CYS CA C 717 58.484 62.356 -3.872 1
1 961 . 7 1 1 A 94 94 CYS HA H 717 4.406 4.417 -0.011 1
1 962 . 7 1 1 A 94 94 CYS CB C 717 28.612 27.476 1.136 1
1 965 . 7 1 1 A 95 95 ARG N N 718 122.655 120.336 2.319 1
1 966 . 7 1 1 A 95 95 ARG H H 718 7.928 8.333 -0.405 1
1 967 . 7 1 1 A 95 95 ARG CA C 718 60.829 60.475 0.354 1
1 968 . 7 1 1 A 95 95 ARG HA H 718 3.740 3.091 0.649 1
1 969 . 7 1 1 A 95 95 ARG CB C 718 28.131 29.269 -1.138 1
1 977 . 7 1 1 A 96 96 PRO CA C 719 65.328 65.843 -0.515 1
1 978 . 7 1 1 A 96 96 PRO HA H 719 4.456 4.042 0.414 1
1 979 . 7 1 1 A 96 96 PRO CB C 719 31.665 30.107 1.558 1
1 987 . 7 1 1 A 97 97 LEU N N 720 112.429 117.477 -5.048 1
1 988 . 7 1 1 A 97 97 LEU H H 720 7.720 7.088 0.632 1
1 989 . 7 1 1 A 97 97 LEU CA C 720 54.707 57.410 -2.703 1
1 990 . 7 1 1 A 97 97 LEU HA H 720 4.228 3.904 0.324 1
1 991 . 7 1 1 A 97 97 LEU CB C 720 40.391 41.888 -1.497 1
1 1004 . 7 1 1 A 98 98 HIS N N 721 118.891 116.227 2.664 1
1 1005 . 7 1 1 A 98 98 HIS H H 721 7.964 8.915 -0.951 1
1 1006 . 7 1 1 A 98 98 HIS CA C 721 60.901 58.313 2.588 1
1 1007 . 7 1 1 A 98 98 HIS HA H 721 4.190 4.087 0.103 1
1 1008 . 7 1 1 A 98 98 HIS CB C 721 31.678 29.395 2.283 1
1 1015 . 7 1 1 A 99 99 GLN N N 722 116.787 115.893 0.894 1
1 1016 . 7 1 1 A 99 99 GLN H H 722 8.090 7.913 0.177 1
1 1017 . 7 1 1 A 99 99 GLN CA C 722 55.180 54.948 0.232 1
1 1018 . 7 1 1 A 99 99 GLN HA H 722 4.808 4.919 -0.111 1
1 1019 . 7 1 1 A 99 99 GLN CB C 722 30.690 31.419 -0.729 1
1 1024 . 7 1 1 A 100 100 LEU H H 723 9.277 8.434 0.843 1
1 1025 . 7 1 1 A 100 100 LEU CA C 723 55.397 55.505 -0.108 1
1 1026 . 7 1 1 A 100 100 LEU HA H 723 4.566 4.479 0.087 1
1 1027 . 7 1 1 A 100 100 LEU CB C 723 43.862 44.383 -0.521 1
1 1040 . 7 1 1 A 101 101 ALA N N 724 123.211 121.224 1.987 1
1 1041 . 7 1 1 A 101 101 ALA H H 724 8.577 7.635 0.942 1
1 1042 . 7 1 1 A 101 101 ALA CA C 724 52.591 50.694 1.897 1
1 1043 . 7 1 1 A 101 101 ALA HA H 724 4.392 4.468 -0.076 1
1 1044 . 7 1 1 A 101 101 ALA CB C 724 19.262 20.154 -0.892 1
1 1048 . 7 1 1 A 102 102 THR N N 725 112.189 111.202 0.987 1
1 1049 . 7 1 1 A 102 102 THR H H 725 8.069 7.852 0.217 1
1 1050 . 7 1 1 A 102 102 THR CA C 725 61.802 60.738 1.064 1
1 1051 . 7 1 1 A 102 102 THR HA H 725 4.366 4.729 -0.363 1
1 1052 . 7 1 1 A 102 102 THR CB C 725 69.684 69.422 0.262 1
1 1058 . 7 1 1 A 103 103 ASP N N 726 121.846 123.024 -1.178 1
1 1059 . 7 1 1 A 103 103 ASP H H 726 8.195 8.341 -0.146 1
1 1060 . 7 1 1 A 103 103 ASP CA C 726 54.057 57.143 -3.086 1
1 1061 . 7 1 1 A 103 103 ASP HA H 726 4.681 4.490 0.191 1
1 1062 . 7 1 1 A 103 103 ASP CB C 726 41.228 40.317 0.911 1
1 1064 . 7 1 1 A 104 104 SER N N 727 116.230 114.573 1.657 1
1 1065 . 7 1 1 A 104 104 SER H H 727 8.260 8.246 0.014 1
1 1066 . 7 1 1 A 104 104 SER CA C 727 58.945 59.031 -0.086 1
1 1067 . 7 1 1 A 104 104 SER HA H 727 4.468 4.208 0.260 1
1 1068 . 7 1 1 A 104 104 SER CB C 727 63.856 60.944 2.912 1
1 1070 . 7 1 1 A 105 105 THR N N 728 115.362 109.004 6.358 1
1 1071 . 7 1 1 A 105 105 THR H H 728 8.205 8.364 -0.159 1
1 1072 . 7 1 1 A 105 105 THR CA C 728 62.744 62.525 0.219 1
1 1073 . 7 1 1 A 105 105 THR HA H 728 4.238 4.044 0.194 1
1 1074 . 7 1 1 A 105 105 THR CB C 728 69.490 66.687 2.803 1
1 1080 . 7 1 1 A 106 106 PHE N N 729 121.735 121.955 -0.220 1
1 1081 . 7 1 1 A 106 106 PHE H H 729 8.047 7.971 0.076 1
1 1082 . 7 1 1 A 106 106 PHE CA C 729 57.966 58.108 -0.142 1
1 1083 . 7 1 1 A 106 106 PHE HA H 729 4.626 4.750 -0.124 1
1 1084 . 7 1 1 A 106 106 PHE CB C 729 39.633 41.304 -1.671 1
1 1090 . 7 1 1 A 107 107 SER N N 730 116.751 114.491 2.260 1
1 1091 . 7 1 1 A 107 107 SER H H 730 7.962 8.518 -0.556 1
1 1092 . 7 1 1 A 107 107 SER CA C 730 57.921 61.294 -3.373 1
1 1093 . 7 1 1 A 107 107 SER HA H 730 4.413 4.377 0.036 1
1 1094 . 7 1 1 A 107 107 SER CB C 730 63.659 63.034 0.625 1
1 1097 . 7 1 1 A 108 108 LEU N N 731 123.373 120.160 3.213 1
1 1098 . 7 1 1 A 108 108 LEU H H 731 8.212 7.962 0.250 1
1 1099 . 7 1 1 A 108 108 LEU CA C 731 55.650 57.252 -1.602 1
1 1100 . 7 1 1 A 108 108 LEU HA H 731 4.265 4.238 0.027 1
1 1101 . 7 1 1 A 108 108 LEU CB C 731 42.257 41.705 0.552 1
1 1113 . 7 1 1 A 109 109 ASP N N 732 118.496 120.052 -1.556 1
1 1114 . 7 1 1 A 109 109 ASP H H 732 8.172 8.124 0.048 1
1 1115 . 7 1 1 A 109 109 ASP CA C 732 54.239 53.243 0.996 1
1 1116 . 7 1 1 A 109 109 ASP HA H 732 4.566 4.904 -0.338 1
1 1117 . 7 1 1 A 109 109 ASP CB C 732 41.124 42.441 -1.317 1
1 1120 . 7 1 1 A 110 110 GLN N N 733 119.403 120.793 -1.390 1
1 1121 . 7 1 1 A 110 110 GLN H H 733 7.707 7.638 0.069 1
1 1122 . 7 1 1 A 110 110 GLN CA C 733 53.251 54.163 -0.912 1
1 1123 . 7 1 1 A 110 110 GLN HA H 733 4.675 3.855 0.820 1
1 1124 . 7 1 1 A 110 110 GLN CB C 733 29.061 29.466 -0.405 1
1 1129 . 7 1 1 A 111 111 PRO CA C 734 63.869 63.808 0.061 1
1 1130 . 7 1 1 A 111 111 PRO HA H 734 4.435 4.273 0.162 1
1 1131 . 7 1 1 A 111 111 PRO CB C 734 31.900 31.542 0.358 1
1 1139 . 7 1 1 A 112 112 GLY N N 735 109.783 105.533 4.250 1
1 1140 . 7 1 1 A 112 112 GLY H H 735 8.510 7.478 1.032 1
1 1141 . 7 1 1 A 112 112 GLY CA C 735 44.954 45.451 -0.497 1
1 1142 . 7 1 1 A 112 112 GLY HA3 H 735 3.903 4.072 -0.169 1
1 1143 . 7 1 1 A 112 112 GLY HA2 H 735 3.994 4.072 -0.078 1
1 1144 . 7 1 1 A 113 113 GLY N N 736 108.485 111.669 -3.184 1
1 1145 . 7 1 1 A 113 113 GLY H H 736 8.138 8.770 -0.632 1
1 1146 . 7 1 1 A 113 113 GLY CA C 736 44.755 46.343 -1.588 1
1 1147 . 7 1 1 A 113 113 GLY HA3 H 736 3.899 3.922 -0.023 1
1 1148 . 7 1 1 A 113 113 GLY HA2 H 736 3.964 3.921 0.043 1
1 1149 . 7 1 1 A 114 114 THR N N 737 116.361 119.814 -3.453 1
1 1150 . 7 1 1 A 114 114 THR H H 737 7.951 8.550 -0.599 1
1 1151 . 7 1 1 A 114 114 THR CA C 737 62.508 62.720 -0.212 1
1 1152 . 7 1 1 A 114 114 THR HA H 737 4.189 4.510 -0.321 1
1 1153 . 7 1 1 A 114 114 THR CB C 737 69.780 71.524 -1.744 1
1 1159 . 7 1 1 A 115 115 LEU N N 738 125.899 121.869 4.030 1
1 1160 . 7 1 1 A 115 115 LEU H H 738 8.575 7.916 0.659 1
1 1161 . 7 1 1 A 115 115 LEU CA C 738 54.534 55.340 -0.806 1
1 1162 . 7 1 1 A 115 115 LEU HA H 738 4.452 4.250 0.202 1
1 1163 . 7 1 1 A 115 115 LEU CB C 738 45.506 42.138 3.368 1
1 1176 . 7 1 1 A 116 116 ASP N N 739 115.416 116.964 -1.548 1
1 1177 . 7 1 1 A 116 116 ASP H H 739 6.819 8.395 -1.576 1
1 1178 . 7 1 1 A 116 116 ASP CA C 739 52.606 53.425 -0.819 1
1 1179 . 7 1 1 A 116 116 ASP HA H 739 4.472 4.989 -0.517 1
1 1180 . 7 1 1 A 116 116 ASP CB C 739 42.811 41.259 1.552 1
1 1183 . 7 1 1 A 117 117 LEU N N 740 115.281 118.477 -3.196 1
1 1184 . 7 1 1 A 117 117 LEU H H 740 8.213 8.522 -0.309 1
1 1185 . 7 1 1 A 117 117 LEU CA C 740 57.750 56.813 0.937 1
1 1186 . 7 1 1 A 117 117 LEU HA H 740 3.841 4.172 -0.331 1
1 1187 . 7 1 1 A 117 117 LEU CB C 740 42.005 41.503 0.502 1
1 1200 . 7 1 1 A 118 118 THR N N 741 116.995 114.395 2.600 1
1 1201 . 7 1 1 A 118 118 THR H H 741 8.152 8.009 0.143 1
1 1202 . 7 1 1 A 118 118 THR CA C 741 68.068 65.373 2.695 1
1 1203 . 7 1 1 A 118 118 THR HA H 741 4.054 4.400 -0.346 1
1 1204 . 7 1 1 A 118 118 THR CB C 741 68.392 69.048 -0.656 1
1 1210 . 7 1 1 A 119 119 LEU N N 742 127.180 120.587 6.593 1
1 1211 . 7 1 1 A 119 119 LEU H H 742 8.804 7.949 0.855 1
1 1212 . 7 1 1 A 119 119 LEU CA C 742 58.460 57.665 0.795 1
1 1213 . 7 1 1 A 119 119 LEU HA H 742 4.214 4.094 0.120 1
1 1214 . 7 1 1 A 119 119 LEU CB C 742 42.491 41.747 0.744 1
1 1227 . 7 1 1 A 120 120 ILE N N 743 120.880 121.500 -0.620 1
1 1228 . 7 1 1 A 120 120 ILE H H 743 7.884 7.804 0.080 1
1 1229 . 7 1 1 A 120 120 ILE CA C 743 65.546 65.313 0.233 1
1 1230 . 7 1 1 A 120 120 ILE HA H 743 4.101 3.696 0.405 1
1 1231 . 7 1 1 A 120 120 ILE CB C 743 38.693 37.669 1.024 1
1 1244 . 7 1 1 A 121 121 ARG N N 744 119.772 122.889 -3.117 1
1 1245 . 7 1 1 A 121 121 ARG H H 744 8.792 8.370 0.422 1
1 1246 . 7 1 1 A 121 121 ARG CA C 744 60.369 59.835 0.534 1
1 1247 . 7 1 1 A 121 121 ARG HA H 744 3.896 4.018 -0.122 1
1 1248 . 7 1 1 A 121 121 ARG CB C 744 30.241 30.280 -0.039 1
1 1257 . 7 1 1 A 122 122 ALA N N 745 120.978 121.007 -0.029 1
1 1258 . 7 1 1 A 122 122 ALA H H 745 8.303 7.938 0.365 1
1 1259 . 7 1 1 A 122 122 ALA CA C 745 55.203 55.126 0.077 1
1 1260 . 7 1 1 A 122 122 ALA HA H 745 4.246 4.037 0.209 1
1 1261 . 7 1 1 A 122 122 ALA CB C 745 18.005 18.250 -0.245 1
1 1265 . 7 1 1 A 123 123 ARG N N 746 119.408 118.780 0.628 1
1 1266 . 7 1 1 A 123 123 ARG H H 746 8.224 8.095 0.129 1
1 1267 . 7 1 1 A 123 123 ARG CA C 746 59.895 59.075 0.820 1
1 1268 . 7 1 1 A 123 123 ARG HA H 746 4.335 3.796 0.539 1
1 1269 . 7 1 1 A 123 123 ARG CB C 746 29.768 29.556 0.212 1
1 1279 . 7 1 1 A 124 124 LEU N N 747 125.115 119.672 5.443 1
1 1280 . 7 1 1 A 124 124 LEU H H 747 9.029 8.434 0.595 1
1 1281 . 7 1 1 A 124 124 LEU CA C 747 57.559 57.864 -0.305 1
1 1282 . 7 1 1 A 124 124 LEU HA H 747 4.925 3.896 1.029 1
1 1283 . 7 1 1 A 124 124 LEU CB C 747 42.721 41.311 1.410 1
1 1296 . 7 1 1 A 125 125 GLN N N 748 114.117 116.723 -2.606 1
1 1297 . 7 1 1 A 125 125 GLN H H 748 8.418 8.278 0.140 1
1 1298 . 7 1 1 A 125 125 GLN CA C 748 55.664 57.912 -2.248 1
1 1299 . 7 1 1 A 125 125 GLN HA H 748 4.444 4.153 0.291 1
1 1300 . 7 1 1 A 125 125 GLN CB C 748 29.301 28.920 0.381 1
1 1309 . 7 1 1 A 126 126 GLU N N 749 113.381 115.204 -1.823 1
1 1310 . 7 1 1 A 126 126 GLU H H 749 7.978 7.942 0.036 1
1 1311 . 7 1 1 A 126 126 GLU CA C 749 57.789 55.837 1.952 1
1 1312 . 7 1 1 A 126 126 GLU HA H 749 4.156 4.798 -0.642 1
1 1313 . 7 1 1 A 126 126 GLU CB C 749 25.906 31.214 -5.308 1
1 1318 . 7 1 1 A 127 127 LYS N N 750 116.557 121.237 -4.680 1
1 1319 . 7 1 1 A 127 127 LYS H H 750 8.538 8.054 0.484 1
1 1320 . 7 1 1 A 127 127 LYS CA C 750 56.417 57.941 -1.524 1
1 1321 . 7 1 1 A 127 127 LYS HA H 750 4.344 4.185 0.159 1
1 1322 . 7 1 1 A 127 127 LYS CB C 750 33.029 32.666 0.363 1
1 1332 . 7 1 1 A 128 128 LEU N N 751 119.986 122.554 -2.568 1
1 1333 . 7 1 1 A 128 128 LEU H H 751 6.949 7.794 -0.845 1
1 1334 . 7 1 1 A 128 128 LEU CA C 751 53.476 57.794 -4.318 1
1 1335 . 7 1 1 A 128 128 LEU HA H 751 4.532 4.125 0.407 1
1 1336 . 7 1 1 A 128 128 LEU CB C 751 45.503 42.412 3.091 1
1 1349 . 7 1 1 A 129 129 SER N N 752 118.455 111.679 6.776 1
1 1350 . 7 1 1 A 129 129 SER H H 752 8.225 7.836 0.389 1
1 1351 . 7 1 1 A 129 129 SER CA C 752 56.129 56.713 -0.584 1
1 1352 . 7 1 1 A 129 129 SER HA H 752 4.434 4.879 -0.445 1
1 1353 . 7 1 1 A 129 129 SER CB C 752 63.911 66.412 -2.501 1
1 1356 . 7 1 1 A 130 130 PRO CA C 753 61.355 61.800 -0.445 1
1 1357 . 7 1 1 A 130 130 PRO HA H 753 5.026 4.638 0.388 1
1 1358 . 7 1 1 A 130 130 PRO CB C 753 32.831 32.739 0.092 1
1 1366 . 7 1 1 A 131 131 PRO CA C 754 62.470 62.932 -0.462 1
1 1367 . 7 1 1 A 131 131 PRO HA H 754 4.651 4.487 0.164 1
1 1368 . 7 1 1 A 131 131 PRO CB C 754 32.403 32.071 0.332 1
1 1377 . 7 1 1 A 132 132 TYR N N 755 121.321 121.987 -0.666 1
1 1378 . 7 1 1 A 132 132 TYR H H 755 9.635 8.264 1.371 1
1 1379 . 7 1 1 A 132 132 TYR CA C 755 60.382 57.763 2.619 1
1 1380 . 7 1 1 A 132 132 TYR HA H 755 4.433 4.834 -0.401 1
1 1381 . 7 1 1 A 132 132 TYR CB C 755 38.713 39.272 -0.559 1
1 1388 . 7 1 1 A 133 133 SER N N 756 114.917 117.742 -2.825 1
1 1389 . 7 1 1 A 133 133 SER H H 756 9.343 8.934 0.409 1
1 1390 . 7 1 1 A 133 133 SER CA C 756 58.776 57.584 1.192 1
1 1391 . 7 1 1 A 133 133 SER HA H 756 4.430 4.746 -0.316 1
1 1392 . 7 1 1 A 133 133 SER CB C 756 64.839 65.261 -0.422 1
1 1394 . 7 1 1 A 134 134 SER N N 757 112.021 114.195 -2.174 1
1 1395 . 7 1 1 A 134 134 SER H H 757 7.500 7.693 -0.193 1
1 1396 . 7 1 1 A 134 134 SER CA C 757 56.158 55.959 0.199 1
1 1397 . 7 1 1 A 134 134 SER HA H 757 4.950 4.598 0.352 1
1 1398 . 7 1 1 A 134 134 SER CB C 757 63.906 64.955 -1.049 1
1 1401 . 7 1 1 A 135 135 PRO CA C 758 64.159 64.255 -0.096 1
1 1402 . 7 1 1 A 135 135 PRO HA H 758 4.132 4.698 -0.566 1
1 1403 . 7 1 1 A 135 135 PRO CB C 758 31.649 32.302 -0.653 1
1 1412 . 7 1 1 A 136 136 GLN N N 759 116.382 118.137 -1.755 1
1 1413 . 7 1 1 A 136 136 GLN H H 759 8.067 8.581 -0.514 1
1 1414 . 7 1 1 A 136 136 GLN CA C 759 59.483 57.742 1.741 1
1 1415 . 7 1 1 A 136 136 GLN HA H 759 3.963 4.494 -0.531 1
1 1416 . 7 1 1 A 136 136 GLN CB C 759 27.414 28.600 -1.186 1
1 1425 . 7 1 1 A 137 137 GLU N N 760 121.764 119.410 2.354 1
1 1426 . 7 1 1 A 137 137 GLU H H 760 7.826 8.126 -0.300 1
1 1427 . 7 1 1 A 137 137 GLU CA C 760 59.184 59.253 -0.069 1
1 1428 . 7 1 1 A 137 137 GLU HA H 760 4.063 3.918 0.145 1
1 1429 . 7 1 1 A 137 137 GLU CB C 760 30.403 28.714 1.689 1
1 1435 . 7 1 1 A 138 138 PHE N N 761 120.582 120.875 -0.293 1
1 1436 . 7 1 1 A 138 138 PHE H H 761 6.900 7.645 -0.745 1
1 1437 . 7 1 1 A 138 138 PHE CA C 761 60.105 62.129 -2.024 1
1 1438 . 7 1 1 A 138 138 PHE HA H 761 3.604 4.306 -0.702 1
1 1439 . 7 1 1 A 138 138 PHE CB C 761 38.271 39.401 -1.130 1
1 1448 . 7 1 1 A 139 139 ALA N N 762 120.917 120.886 0.031 1
1 1449 . 7 1 1 A 139 139 ALA H H 762 8.399 7.954 0.445 1
1 1450 . 7 1 1 A 139 139 ALA CA C 762 54.940 54.979 -0.039 1
1 1451 . 7 1 1 A 139 139 ALA HA H 762 3.804 3.677 0.127 1
1 1452 . 7 1 1 A 139 139 ALA CB C 762 18.001 18.529 -0.528 1
1 1456 . 7 1 1 A 140 140 GLN N N 763 119.041 117.262 1.779 1
1 1457 . 7 1 1 A 140 140 GLN H H 763 8.436 8.494 -0.058 1
1 1458 . 7 1 1 A 140 140 GLN CA C 763 58.474 59.042 -0.568 1
1 1459 . 7 1 1 A 140 140 GLN HA H 763 4.056 4.006 0.050 1
1 1460 . 7 1 1 A 140 140 GLN CB C 763 28.345 28.138 0.207 1
1 1469 . 7 1 1 A 141 141 ASP N N 764 122.985 120.125 2.860 1
1 1470 . 7 1 1 A 141 141 ASP H H 764 7.694 7.907 -0.213 1
1 1471 . 7 1 1 A 141 141 ASP CA C 764 57.087 56.978 0.109 1
1 1472 . 7 1 1 A 141 141 ASP HA H 764 4.517 4.456 0.061 1
1 1473 . 7 1 1 A 141 141 ASP CB C 764 39.897 40.767 -0.870 1
1 1476 . 7 1 1 A 142 142 VAL N N 765 119.630 119.691 -0.061 1
1 1477 . 7 1 1 A 142 142 VAL H H 765 7.431 8.133 -0.702 1
1 1478 . 7 1 1 A 142 142 VAL CA C 765 66.489 65.517 0.972 1
1 1479 . 7 1 1 A 142 142 VAL HA H 765 2.740 2.995 -0.255 1
1 1480 . 7 1 1 A 142 142 VAL CB C 765 30.729 30.484 0.245 1
1 1490 . 7 1 1 A 143 143 GLY N N 766 104.089 107.130 -3.041 1
1 1491 . 7 1 1 A 143 143 GLY H H 766 8.089 8.325 -0.236 1
1 1492 . 7 1 1 A 143 143 GLY CA C 766 47.271 46.938 0.333 1
1 1493 . 7 1 1 A 143 143 GLY HA3 H 766 3.783 3.636 0.147 1
1 1494 . 7 1 1 A 143 143 GLY HA2 H 766 3.870 3.600 0.270 1
1 1495 . 7 1 1 A 144 144 ARG N N 767 123.406 122.087 1.319 1
1 1496 . 7 1 1 A 144 144 ARG H H 767 8.270 8.487 -0.217 1
1 1497 . 7 1 1 A 144 144 ARG CA C 767 59.627 59.121 0.506 1
1 1498 . 7 1 1 A 144 144 ARG HA H 767 4.026 4.061 -0.035 1
1 1499 . 7 1 1 A 144 144 ARG CB C 767 30.003 30.023 -0.020 1
1 1507 . 7 1 1 A 145 145 MET N N 768 121.310 118.842 2.468 1
1 1508 . 7 1 1 A 145 145 MET H H 768 8.053 8.593 -0.540 1
1 1509 . 7 1 1 A 145 145 MET CA C 768 58.727 58.931 -0.204 1
1 1510 . 7 1 1 A 145 145 MET HA H 768 3.932 4.066 -0.134 1
1 1511 . 7 1 1 A 145 145 MET CB C 768 31.536 31.898 -0.362 1
1 1521 . 7 1 1 A 146 146 PHE N N 769 117.125 118.297 -1.172 1
1 1522 . 7 1 1 A 146 146 PHE H H 769 8.005 8.477 -0.472 1
1 1523 . 7 1 1 A 146 146 PHE CA C 769 59.441 61.457 -2.016 1
1 1524 . 7 1 1 A 146 146 PHE HA H 769 4.582 4.189 0.393 1
1 1525 . 7 1 1 A 146 146 PHE CB C 769 37.558 38.718 -1.160 1
1 1534 . 7 1 1 A 147 147 LYS N N 770 119.226 118.402 0.824 1
1 1535 . 7 1 1 A 147 147 LYS H H 770 8.078 8.152 -0.074 1
1 1536 . 7 1 1 A 147 147 LYS CA C 770 59.479 59.542 -0.063 1
1 1537 . 7 1 1 A 147 147 LYS HA H 770 4.153 3.915 0.238 1
1 1538 . 7 1 1 A 147 147 LYS CB C 770 32.336 32.261 0.075 1
1 1547 . 7 1 1 A 148 148 GLN N N 771 118.870 118.749 0.121 1
1 1548 . 7 1 1 A 148 148 GLN H H 771 8.338 8.317 0.021 1
1 1549 . 7 1 1 A 148 148 GLN CA C 771 58.440 58.588 -0.148 1
1 1550 . 7 1 1 A 148 148 GLN HA H 771 4.140 4.078 0.062 1
1 1551 . 7 1 1 A 148 148 GLN CB C 771 28.382 28.346 0.036 1
1 1560 . 7 1 1 A 149 149 PHE N N 772 120.162 120.980 -0.818 1
1 1561 . 7 1 1 A 149 149 PHE H H 772 8.411 8.020 0.391 1
1 1562 . 7 1 1 A 149 149 PHE CA C 772 60.460 61.127 -0.667 1
1 1563 . 7 1 1 A 149 149 PHE HA H 772 4.433 4.188 0.245 1
1 1564 . 7 1 1 A 149 149 PHE CB C 772 39.428 39.213 0.215 1
1 1573 . 7 1 1 A 150 150 ASN N N 773 117.836 117.071 0.765 1
1 1574 . 7 1 1 A 150 150 ASN H H 773 8.279 8.503 -0.224 1
1 1575 . 7 1 1 A 150 150 ASN HA H 773 4.375 4.307 0.068 1
1 1576 . 7 1 1 A 150 150 ASN CB C 773 38.977 38.782 0.195 1
1 1582 . 7 1 1 A 151 151 LYS N N 774 118.045 116.575 1.470 1
1 1583 . 7 1 1 A 151 151 LYS H H 774 7.648 7.989 -0.341 1
1 1584 . 7 1 1 A 151 151 LYS CA C 774 57.563 56.614 0.949 1
1 1585 . 7 1 1 A 151 151 LYS HA H 774 4.225 4.417 -0.192 1
1 1586 . 7 1 1 A 151 151 LYS CB C 774 32.333 33.149 -0.816 1
1 1595 . 7 1 1 A 152 152 LEU N N 775 119.031 120.624 -1.593 1
1 1596 . 7 1 1 A 152 152 LEU H H 775 7.825 7.933 -0.108 1
1 1597 . 7 1 1 A 152 152 LEU CA C 775 55.990 57.885 -1.895 1
1 1598 . 7 1 1 A 152 152 LEU HA H 775 4.270 4.083 0.187 1
1 1599 . 7 1 1 A 152 152 LEU CB C 775 42.487 41.440 1.047 1
1 1612 . 7 1 1 A 153 153 THR N N 776 110.107 111.682 -1.575 1
1 1613 . 7 1 1 A 153 153 THR H H 776 7.525 7.459 0.066 1
1 1614 . 7 1 1 A 153 153 THR CA C 776 61.535 65.154 -3.619 1
1 1615 . 7 1 1 A 153 153 THR HA H 776 4.332 4.012 0.320 1
1 1616 . 7 1 1 A 153 153 THR CB C 776 69.570 68.936 0.634 1
1 1622 . 7 1 1 A 154 154 GLU N N 777 122.427 122.066 0.361 1
1 1623 . 7 1 1 A 154 154 GLU H H 777 8.027 8.203 -0.176 1
1 1624 . 7 1 1 A 154 154 GLU CA C 777 57.720 57.903 -0.183 1
1 1625 . 7 1 1 A 154 154 GLU HA H 777 4.216 4.206 0.010 1
1 1626 . 7 1 1 A 154 154 GLU CB C 777 29.977 27.802 2.175 1
1 1631 . 7 1 1 A 155 155 ASP N N 778 119.283 118.488 0.795 1
1 1632 . 7 1 1 A 155 155 ASP H H 778 8.372 8.165 0.207 1
1 1633 . 7 1 1 A 155 155 ASP CA C 778 54.709 53.984 0.725 1
1 1634 . 7 1 1 A 155 155 ASP HA H 778 4.602 4.729 -0.127 1
1 1635 . 7 1 1 A 155 155 ASP CB C 778 40.600 41.929 -1.329 1
1 1638 . 7 1 1 A 156 156 LYS N N 779 120.684 118.893 1.791 1
1 1639 . 7 1 1 A 156 156 LYS H H 779 8.068 7.429 0.639 1
1 1640 . 7 1 1 A 156 156 LYS CA C 779 56.388 54.324 2.064 1
1 1641 . 7 1 1 A 156 156 LYS HA H 779 4.333 4.749 -0.416 1
1 1642 . 7 1 1 A 156 156 LYS CB C 779 32.814 35.913 -3.099 1
1 1651 . 7 1 1 A 157 157 ALA N N 780 123.182 123.506 -0.324 1
1 1652 . 7 1 1 A 157 157 ALA H H 780 8.197 8.133 0.064 1
1 1653 . 7 1 1 A 157 157 ALA CA C 780 52.591 54.352 -1.761 1
1 1654 . 7 1 1 A 157 157 ALA HA H 780 4.337 4.205 0.132 1
1 1655 . 7 1 1 A 157 157 ALA CB C 780 19.186 19.985 -0.799 1
1 1659 . 7 1 1 A 158 158 ASP N N 781 118.794 117.664 1.130 1
1 1660 . 7 1 1 A 158 158 ASP H H 781 8.222 8.143 0.079 1
1 1661 . 7 1 1 A 158 158 ASP CA C 781 54.003 55.347 -1.344 1
1 1662 . 7 1 1 A 158 158 ASP HA H 781 4.673 4.237 0.436 1
1 1663 . 7 1 1 A 158 158 ASP CB C 781 41.075 40.583 0.492 1
1 1666 . 7 1 1 A 159 159 VAL N N 782 120.713 118.574 2.139 1
1 1667 . 7 1 1 A 159 159 VAL H H 782 8.039 7.725 0.314 1
1 1668 . 7 1 1 A 159 159 VAL CA C 782 63.898 65.754 -1.856 1
1 1669 . 7 1 1 A 159 159 VAL HA H 782 4.028 3.744 0.284 1
1 1670 . 7 1 1 A 159 159 VAL CB C 782 32.181 31.287 0.894 1
1 1680 . 7 1 1 A 160 160 GLN N N 783 120.756 120.066 0.690 1
1 1681 . 7 1 1 A 160 160 GLN H H 783 8.370 7.719 0.651 1
1 1682 . 7 1 1 A 160 160 GLN CA C 783 57.563 56.292 1.271 1
1 1683 . 7 1 1 A 160 160 GLN HA H 783 4.219 4.274 -0.055 1
1 1684 . 7 1 1 A 160 160 GLN CB C 783 28.410 29.455 -1.045 1
1 1691 . 7 1 1 A 161 161 SER N N 784 116.111 114.445 1.666 1
1 1692 . 7 1 1 A 161 161 SER H H 784 8.190 7.949 0.241 1
1 1693 . 7 1 1 A 161 161 SER CA C 784 60.089 61.211 -1.122 1
1 1694 . 7 1 1 A 161 161 SER HA H 784 4.361 4.255 0.106 1
1 1695 . 7 1 1 A 161 161 SER CB C 784 62.955 62.933 0.022 1
1 1698 . 7 1 1 A 162 162 ILE N N 785 122.105 122.507 -0.402 1
1 1699 . 7 1 1 A 162 162 ILE H H 785 8.014 7.487 0.527 1
1 1700 . 7 1 1 A 162 162 ILE CA C 785 62.963 64.945 -1.982 1
1 1701 . 7 1 1 A 162 162 ILE HA H 785 3.986 3.241 0.745 1
1 1702 . 7 1 1 A 162 162 ILE CB C 785 37.568 37.646 -0.078 1
1 1715 . 7 1 1 A 163 163 ILE N N 786 122.150 119.050 3.100 1
1 1716 . 7 1 1 A 163 163 ILE H H 786 7.913 8.077 -0.164 1
1 1717 . 7 1 1 A 163 163 ILE CA C 786 64.074 64.632 -0.558 1
1 1718 . 7 1 1 A 163 163 ILE HA H 786 3.947 3.577 0.370 1
1 1719 . 7 1 1 A 163 163 ILE CB C 786 37.561 37.190 0.371 1
1 1732 . 7 1 1 A 164 164 GLY N N 787 107.177 108.479 -1.302 1
1 1733 . 7 1 1 A 164 164 GLY H H 787 8.057 8.141 -0.084 1
1 1734 . 7 1 1 A 164 164 GLY CA C 787 46.938 47.227 -0.289 1
1 1735 . 7 1 1 A 164 164 GLY HA3 H 787 3.907 3.725 0.182 1
1 1736 . 7 1 1 A 164 164 GLY HA2 H 787 4.007 3.668 0.339 1
1 1737 . 7 1 1 A 165 165 LEU N N 788 123.590 122.532 1.058 1
1 1738 . 7 1 1 A 165 165 LEU H H 788 7.676 8.221 -0.545 1
1 1739 . 7 1 1 A 165 165 LEU CA C 788 57.738 58.050 -0.312 1
1 1740 . 7 1 1 A 165 165 LEU HA H 788 4.052 4.078 -0.026 1
1 1741 . 7 1 1 A 165 165 LEU CB C 788 40.833 41.547 -0.714 1
1 1753 . 7 1 1 A 166 166 GLN N N 789 119.114 116.037 3.077 1
1 1754 . 7 1 1 A 166 166 GLN H H 789 7.956 8.238 -0.282 1
1 1755 . 7 1 1 A 166 166 GLN CA C 789 59.445 58.987 0.458 1
1 1756 . 7 1 1 A 166 166 GLN HA H 789 3.844 3.505 0.339 1
1 1757 . 7 1 1 A 166 166 GLN CB C 789 27.826 27.922 -0.096 1
1 1765 . 7 1 1 A 167 167 ARG N N 790 118.851 119.588 -0.737 1
1 1766 . 7 1 1 A 167 167 ARG H H 790 8.387 8.248 0.139 1
1 1767 . 7 1 1 A 167 167 ARG CA C 790 58.942 59.101 -0.159 1
1 1768 . 7 1 1 A 167 167 ARG HA H 790 4.191 4.168 0.023 1
1 1769 . 7 1 1 A 167 167 ARG CB C 790 29.829 30.611 -0.782 1
1 1776 . 7 1 1 A 168 168 PHE N N 791 122.408 120.887 1.521 1
1 1777 . 7 1 1 A 168 168 PHE H H 791 8.127 8.048 0.079 1
1 1778 . 7 1 1 A 168 168 PHE CA C 791 61.976 61.599 0.377 1
1 1779 . 7 1 1 A 168 168 PHE HA H 791 4.164 4.460 -0.296 1
1 1780 . 7 1 1 A 168 168 PHE CB C 791 38.894 39.568 -0.674 1
1 1788 . 7 1 1 A 169 169 PHE N N 792 119.223 120.936 -1.713 1
1 1789 . 7 1 1 A 169 169 PHE H H 792 8.500 9.393 -0.893 1
1 1790 . 7 1 1 A 169 169 PHE CA C 792 61.093 62.184 -1.091 1
1 1791 . 7 1 1 A 169 169 PHE HA H 792 4.053 4.476 -0.423 1
1 1792 . 7 1 1 A 169 169 PHE CB C 792 39.182 39.661 -0.479 1
1 1800 . 7 1 1 A 170 170 GLU N N 793 119.089 118.337 0.752 1
1 1801 . 7 1 1 A 170 170 GLU H H 793 8.718 8.311 0.407 1
1 1802 . 7 1 1 A 170 170 GLU CA C 793 59.843 59.313 0.530 1
1 1803 . 7 1 1 A 170 170 GLU HA H 793 3.483 3.694 -0.211 1
1 1804 . 7 1 1 A 170 170 GLU CB C 793 29.372 29.359 0.013 1
1 1810 . 7 1 1 A 171 171 THR N N 794 115.081 117.800 -2.719 1
1 1811 . 7 1 1 A 171 171 THR H H 794 8.205 8.195 0.010 1
1 1812 . 7 1 1 A 171 171 THR CA C 794 66.661 67.052 -0.391 1
1 1813 . 7 1 1 A 171 171 THR HA H 794 3.935 3.481 0.454 1
1 1814 . 7 1 1 A 171 171 THR CB C 794 68.604 68.613 -0.009 1
1 1820 . 7 1 1 A 172 172 ARG N N 795 120.165 118.845 1.320 1
1 1821 . 7 1 1 A 172 172 ARG H H 795 7.776 8.198 -0.422 1
1 1822 . 7 1 1 A 172 172 ARG CA C 795 57.535 59.772 -2.237 1
1 1823 . 7 1 1 A 172 172 ARG HA H 795 4.030 3.957 0.073 1
1 1824 . 7 1 1 A 172 172 ARG CB C 795 29.886 30.001 -0.115 1
1 1828 . 7 1 1 A 173 173 MET N N 796 120.347 119.224 1.123 1
1 1829 . 7 1 1 A 173 173 MET H H 796 8.503 8.134 0.369 1
1 1830 . 7 1 1 A 173 173 MET CA C 796 57.453 57.838 -0.385 1
1 1831 . 7 1 1 A 173 173 MET HA H 796 4.383 4.133 0.250 1
1 1832 . 7 1 1 A 173 173 MET CB C 796 30.469 32.145 -1.676 1
1 1840 . 7 1 1 A 174 174 ASN N N 797 119.200 117.927 1.273 1
1 1841 . 7 1 1 A 174 174 ASN H H 797 8.351 7.586 0.765 1
1 1842 . 7 1 1 A 174 174 ASN CA C 797 55.851 55.587 0.264 1
1 1843 . 7 1 1 A 174 174 ASN HA H 797 4.510 4.359 0.151 1
1 1844 . 7 1 1 A 174 174 ASN CB C 797 38.213 38.086 0.127 1
1 1850 . 7 1 1 A 175 175 GLU N N 798 119.589 118.119 1.470 1
1 1851 . 7 1 1 A 175 175 GLU H H 798 7.896 8.248 -0.352 1
1 1852 . 7 1 1 A 175 175 GLU CA C 798 59.033 58.140 0.893 1
1 1853 . 7 1 1 A 175 175 GLU HA H 798 3.967 4.030 -0.063 1
1 1854 . 7 1 1 A 175 175 GLU CB C 798 29.296 29.193 0.103 1
1 1860 . 7 1 1 A 176 176 ALA N N 799 116.937 121.891 -4.954 1
1 1861 . 7 1 1 A 176 176 ALA H H 799 8.030 7.473 0.557 1
1 1862 . 7 1 1 A 176 176 ALA CA C 799 54.179 54.074 0.105 1
1 1863 . 7 1 1 A 176 176 ALA HA H 799 4.085 4.382 -0.297 1
1 1864 . 7 1 1 A 176 176 ALA CB C 799 19.432 20.069 -0.637 1
1 1868 . 7 1 1 A 177 177 PHE N N 800 112.840 115.983 -3.143 1
1 1869 . 7 1 1 A 177 177 PHE H H 800 8.544 8.032 0.512 1
1 1870 . 7 1 1 A 177 177 PHE CA C 800 59.182 60.098 -0.916 1
1 1871 . 7 1 1 A 177 177 PHE HA H 800 4.515 4.279 0.236 1
1 1872 . 7 1 1 A 177 177 PHE CB C 800 39.642 38.445 1.197 1
1 1881 . 7 1 1 A 178 178 GLY N N 801 110.339 108.597 1.742 1
1 1882 . 7 1 1 A 178 178 GLY H H 801 7.974 8.261 -0.287 1
1 1883 . 7 1 1 A 178 178 GLY CA C 801 45.607 46.214 -0.607 1
1 1884 . 7 1 1 A 178 178 GLY HA3 H 801 3.988 3.903 0.085 1
1 1885 . 7 1 1 A 178 178 GLY HA2 H 801 4.031 3.884 0.147 1
1 1886 . 7 1 1 A 179 179 ASP N N 802 119.627 120.702 -1.075 1
1 1887 . 7 1 1 A 179 179 ASP H H 802 8.185 8.300 -0.115 1
1 1888 . 7 1 1 A 179 179 ASP CA C 802 53.949 53.328 0.621 1
1 1889 . 7 1 1 A 179 179 ASP HA H 802 4.679 4.957 -0.278 1
1 1890 . 7 1 1 A 179 179 ASP CB C 802 41.070 42.456 -1.386 1
1 1892 . 7 1 1 A 180 180 THR N N 803 113.769 114.396 -0.627 1
1 1893 . 7 1 1 A 180 180 THR H H 803 8.037 7.756 0.281 1
1 1894 . 7 1 1 A 180 180 THR CA C 803 61.885 63.682 -1.797 1
1 1895 . 7 1 1 A 180 180 THR HA H 803 4.331 4.434 -0.103 1
1 1896 . 7 1 1 A 180 180 THR CB C 803 70.002 69.152 0.850 1
1 1902 . 7 1 1 A 181 181 LYS N N 804 122.277 118.962 3.315 1
1 1903 . 7 1 1 A 181 181 LYS H H 804 8.198 7.963 0.235 1
1 1904 . 7 1 1 A 181 181 LYS CA C 804 56.652 57.743 -1.091 1
1 1905 . 7 1 1 A 181 181 LYS HA H 804 4.151 4.122 0.029 1
1 1906 . 7 1 1 A 181 181 LYS CB C 804 32.377 29.555 2.822 1
1 1914 . 7 1 1 A 182 182 PHE N N 805 119.784 119.851 -0.067 1
1 1915 . 7 1 1 A 182 182 PHE H H 805 8.206 8.339 -0.133 1
1 1916 . 7 1 1 A 182 182 PHE CA C 805 57.256 60.863 -3.607 1
1 1917 . 7 1 1 A 182 182 PHE HA H 805 4.664 4.360 0.304 1
1 1918 . 7 1 1 A 182 182 PHE CB C 805 38.774 38.864 -0.090 1
1 1927 . 7 1 1 A 183 183 SER N N 806 123.742 110.416 13.326 1
1 1928 . 7 1 1 A 183 183 SER H H 806 8.121 7.864 0.257 1
1 1929 . 7 1 1 A 183 183 SER CA C 806 58.203 58.627 -0.424 1
1 1930 . 7 1 1 A 183 183 SER HA H 806 4.361 4.629 -0.268 1
1 1931 . 7 1 1 A 183 183 SER CB C 806 63.764 63.887 -0.123 1
1 1934 . 7 1 1 A 184 184 ALA N N 807 125.704 121.222 4.482 1
1 1935 . 7 1 1 A 184 184 ALA H H 807 8.286 7.888 0.398 1
1 1936 . 7 1 1 A 184 184 ALA CA C 807 52.574 52.544 0.030 1
1 1937 . 7 1 1 A 184 184 ALA HA H 807 4.360 4.461 -0.101 1
1 1938 . 7 1 1 A 184 184 ALA CB C 807 18.947 19.261 -0.314 1
1 1942 . 7 1 1 A 185 185 VAL N N 808 118.271 114.863 3.408 1
1 1943 . 7 1 1 A 185 185 VAL H H 808 7.958 8.331 -0.373 1
1 1944 . 7 1 1 A 185 185 VAL CA C 808 62.216 61.720 0.496 1
1 1945 . 7 1 1 A 185 185 VAL HA H 808 4.151 4.154 -0.003 1
1 1946 . 7 1 1 A 185 185 VAL CB C 808 32.178 31.764 0.414 1
1 1952 . 7 1 1 A 186 186 LEU N N 809 125.280 121.260 4.020 1
1 1953 . 7 1 1 A 186 186 LEU H H 809 8.195 7.617 0.578 1
1 1954 . 7 1 1 A 186 186 LEU CA C 809 54.474 54.638 -0.164 1
1 1955 . 7 1 1 A 186 186 LEU HA H 809 4.430 4.446 -0.016 1
1 1956 . 7 1 1 A 186 186 LEU CB C 809 42.303 42.396 -0.093 1
1 1968 . 7 1 1 A 187 187 VAL N N 810 120.937 117.144 3.793 1
1 1969 . 7 1 1 A 187 187 VAL H H 810 7.985 8.016 -0.031 1
1 1970 . 7 1 1 A 187 187 VAL CA C 810 62.004 64.621 -2.617 1
1 1971 . 7 1 1 A 187 187 VAL HA H 810 4.155 4.095 0.060 1
1 1972 . 7 1 1 A 187 187 VAL CB C 810 32.602 31.547 1.055 1
1 1979 . 7 1 1 A 188 188 GLU N N 811 126.353 123.730 2.623 1
1 1980 . 7 1 1 A 188 188 GLU H H 811 8.292 7.567 0.725 1
1 1981 . 7 1 1 A 188 188 GLU CA C 811 54.162 54.599 -0.437 1
1 1982 . 7 1 1 A 188 188 GLU HA H 811 4.609 4.374 0.235 1
1 1983 . 7 1 1 A 188 188 GLU CB C 811 29.775 30.966 -1.191 1
1 1 . 8 1 1 A 2 2 ALA CA C 625 52.969 54.212 -1.243 1
1 2 . 8 1 1 A 2 2 ALA HA H 625 4.493 4.111 0.382 1
1 3 . 8 1 1 A 2 2 ALA CB C 625 19.272 18.186 1.086 1
1 7 . 8 1 1 A 3 3 THR N N 626 113.570 114.043 -0.473 1
1 8 . 8 1 1 A 3 3 THR H H 626 8.176 8.628 -0.452 1
1 9 . 8 1 1 A 3 3 THR CA C 626 61.314 66.805 -5.491 1
1 10 . 8 1 1 A 3 3 THR HA H 626 4.298 3.938 0.360 1
1 11 . 8 1 1 A 3 3 THR CB C 626 69.270 68.855 0.415 1
1 17 . 8 1 1 A 4 4 ILE N N 627 115.272 117.868 -2.596 1
1 18 . 8 1 1 A 4 4 ILE H H 627 7.549 7.925 -0.376 1
1 19 . 8 1 1 A 4 4 ILE CA C 627 58.731 61.774 -3.043 1
1 20 . 8 1 1 A 4 4 ILE HA H 627 4.258 3.898 0.360 1
1 21 . 8 1 1 A 4 4 ILE CB C 627 42.246 36.246 6.000 1
1 34 . 8 1 1 A 5 5 CYS N N 628 124.095 125.478 -1.383 1
1 35 . 8 1 1 A 5 5 CYS H H 628 7.766 8.385 -0.619 1
1 36 . 8 1 1 A 5 5 CYS CA C 628 57.978 59.314 -1.336 1
1 37 . 8 1 1 A 5 5 CYS HA H 628 3.781 4.821 -1.040 1
1 38 . 8 1 1 A 5 5 CYS CB C 628 31.436 27.722 3.714 1
1 41 . 8 1 1 A 6 6 ARG N N 629 129.928 127.471 2.457 1
1 42 . 8 1 1 A 6 6 ARG H H 629 9.040 8.572 0.468 1
1 43 . 8 1 1 A 6 6 ARG CA C 629 57.514 59.506 -1.992 1
1 44 . 8 1 1 A 6 6 ARG HA H 629 3.900 3.913 -0.013 1
1 45 . 8 1 1 A 6 6 ARG CB C 629 30.251 30.003 0.248 1
1 54 . 8 1 1 A 7 7 VAL N N 630 118.166 119.209 -1.043 1
1 55 . 8 1 1 A 7 7 VAL H H 630 8.734 7.628 1.106 1
1 56 . 8 1 1 A 7 7 VAL CA C 630 65.770 67.024 -1.254 1
1 57 . 8 1 1 A 7 7 VAL HA H 630 4.137 3.687 0.450 1
1 58 . 8 1 1 A 7 7 VAL CB C 630 33.079 31.724 1.355 1
1 68 . 8 1 1 A 8 8 CYS N N 631 116.148 114.860 1.288 1
1 69 . 8 1 1 A 8 8 CYS H H 631 8.143 7.849 0.294 1
1 70 . 8 1 1 A 8 8 CYS CA C 631 59.154 58.293 0.861 1
1 71 . 8 1 1 A 8 8 CYS HA H 631 5.105 4.563 0.542 1
1 72 . 8 1 1 A 8 8 CYS CB C 631 31.184 27.130 4.054 1
1 75 . 8 1 1 A 9 9 GLN N N 632 115.248 115.293 -0.045 1
1 76 . 8 1 1 A 9 9 GLN H H 632 8.132 9.046 -0.914 1
1 77 . 8 1 1 A 9 9 GLN CA C 632 57.404 57.234 0.170 1
1 78 . 8 1 1 A 9 9 GLN HA H 632 4.068 3.929 0.139 1
1 79 . 8 1 1 A 9 9 GLN CB C 632 26.002 26.511 -0.509 1
1 88 . 8 1 1 A 10 10 LYS N N 633 118.420 119.484 -1.064 1
1 89 . 8 1 1 A 10 10 LYS H H 633 8.091 8.000 0.091 1
1 90 . 8 1 1 A 10 10 LYS CA C 633 53.835 52.866 0.969 1
1 91 . 8 1 1 A 10 10 LYS HA H 633 5.046 4.571 0.475 1
1 92 . 8 1 1 A 10 10 LYS CB C 633 33.312 32.877 0.435 1
1 102 . 8 1 1 A 11 11 PRO CA C 634 62.136 63.611 -1.475 1
1 103 . 8 1 1 A 11 11 PRO HA H 634 5.056 4.249 0.807 1
1 104 . 8 1 1 A 11 11 PRO CB C 634 33.061 32.375 0.686 1
1 112 . 8 1 1 A 12 12 GLY N N 635 106.958 110.850 -3.892 1
1 113 . 8 1 1 A 12 12 GLY H H 635 8.475 8.715 -0.240 1
1 114 . 8 1 1 A 12 12 GLY CA C 635 45.303 44.649 0.654 1
1 115 . 8 1 1 A 12 12 GLY HA3 H 635 3.812 4.143 -0.331 1
1 116 . 8 1 1 A 12 12 GLY HA2 H 635 4.438 4.105 0.333 1
1 117 . 8 1 1 A 13 13 ASP N N 636 124.001 123.122 0.879 1
1 118 . 8 1 1 A 13 13 ASP H H 636 8.729 8.958 -0.229 1
1 119 . 8 1 1 A 13 13 ASP CA C 636 54.239 55.351 -1.112 1
1 120 . 8 1 1 A 13 13 ASP HA H 636 4.656 4.331 0.325 1
1 121 . 8 1 1 A 13 13 ASP CB C 636 39.425 40.565 -1.140 1
1 124 . 8 1 1 A 14 14 LEU N N 637 121.435 120.405 1.030 1
1 125 . 8 1 1 A 14 14 LEU H H 637 7.849 7.868 -0.019 1
1 126 . 8 1 1 A 14 14 LEU CA C 637 53.306 54.099 -0.793 1
1 127 . 8 1 1 A 14 14 LEU HA H 637 4.546 4.778 -0.232 1
1 128 . 8 1 1 A 14 14 LEU CB C 637 44.117 42.862 1.255 1
1 141 . 8 1 1 A 15 15 VAL N N 638 118.100 117.319 0.781 1
1 142 . 8 1 1 A 15 15 VAL H H 638 8.703 8.585 0.118 1
1 143 . 8 1 1 A 15 15 VAL CA C 638 59.865 60.438 -0.573 1
1 144 . 8 1 1 A 15 15 VAL HA H 638 4.383 4.899 -0.516 1
1 145 . 8 1 1 A 15 15 VAL CB C 638 33.305 33.545 -0.240 1
1 155 . 8 1 1 A 16 16 MET N N 639 125.271 127.490 -2.219 1
1 156 . 8 1 1 A 16 16 MET H H 639 8.519 8.963 -0.444 1
1 157 . 8 1 1 A 16 16 MET CA C 639 54.122 54.490 -0.368 1
1 158 . 8 1 1 A 16 16 MET HA H 639 5.210 5.101 0.109 1
1 159 . 8 1 1 A 16 16 MET CB C 639 36.310 32.573 3.737 1
1 169 . 8 1 1 A 17 17 CYS N N 640 129.455 125.247 4.208 1
1 170 . 8 1 1 A 17 17 CYS H H 640 9.139 8.709 0.430 1
1 171 . 8 1 1 A 17 17 CYS CA C 640 59.996 59.927 0.069 1
1 172 . 8 1 1 A 17 17 CYS HA H 640 4.658 4.207 0.451 1
1 173 . 8 1 1 A 17 17 CYS CB C 640 31.238 28.521 2.717 1
1 176 . 8 1 1 A 18 18 ASN N N 641 128.271 127.903 0.368 1
1 177 . 8 1 1 A 18 18 ASN H H 641 8.914 9.168 -0.254 1
1 178 . 8 1 1 A 18 18 ASN CA C 641 55.658 55.578 0.080 1
1 179 . 8 1 1 A 18 18 ASN HA H 641 4.584 4.430 0.154 1
1 180 . 8 1 1 A 18 18 ASN CB C 641 38.955 38.428 0.527 1
1 186 . 8 1 1 A 19 19 GLN N N 642 121.426 115.278 6.148 1
1 187 . 8 1 1 A 19 19 GLN H H 642 9.313 7.531 1.782 1
1 188 . 8 1 1 A 19 19 GLN CA C 642 57.971 56.311 1.660 1
1 189 . 8 1 1 A 19 19 GLN HA H 642 4.502 4.464 0.038 1
1 190 . 8 1 1 A 19 19 GLN CB C 642 30.466 31.116 -0.650 1
1 197 . 8 1 1 A 20 20 CYS N N 643 120.207 116.743 3.464 1
1 198 . 8 1 1 A 20 20 CYS H H 643 8.542 7.718 0.824 1
1 199 . 8 1 1 A 20 20 CYS CA C 643 59.473 58.234 1.239 1
1 200 . 8 1 1 A 20 20 CYS HA H 643 4.663 4.852 -0.189 1
1 201 . 8 1 1 A 20 20 CYS CB C 643 31.889 28.302 3.587 1
1 204 . 8 1 1 A 21 21 GLU N N 644 114.113 116.698 -2.585 1
1 205 . 8 1 1 A 21 21 GLU H H 644 7.441 7.990 -0.549 1
1 206 . 8 1 1 A 21 21 GLU CA C 644 57.994 59.274 -1.280 1
1 207 . 8 1 1 A 21 21 GLU HA H 644 4.285 3.925 0.360 1
1 208 . 8 1 1 A 21 21 GLU CB C 644 26.843 28.098 -1.255 1
1 214 . 8 1 1 A 22 22 PHE N N 645 120.911 118.816 2.095 1
1 215 . 8 1 1 A 22 22 PHE H H 645 8.941 9.385 -0.444 1
1 216 . 8 1 1 A 22 22 PHE CA C 645 57.356 58.202 -0.846 1
1 217 . 8 1 1 A 22 22 PHE HA H 645 4.777 4.169 0.608 1
1 218 . 8 1 1 A 22 22 PHE CB C 645 38.709 37.370 1.339 1
1 226 . 8 1 1 A 23 23 CYS N N 646 115.830 121.413 -5.583 1
1 227 . 8 1 1 A 23 23 CYS H H 646 8.137 8.291 -0.154 1
1 228 . 8 1 1 A 23 23 CYS CA C 646 56.600 58.254 -1.654 1
1 229 . 8 1 1 A 23 23 CYS HA H 646 5.813 6.010 -0.197 1
1 230 . 8 1 1 A 23 23 CYS CB C 646 30.951 28.953 1.998 1
1 233 . 8 1 1 A 24 24 PHE N N 647 116.053 121.549 -5.496 1
1 234 . 8 1 1 A 24 24 PHE H H 647 9.011 8.552 0.459 1
1 235 . 8 1 1 A 24 24 PHE CA C 647 56.827 56.369 0.458 1
1 236 . 8 1 1 A 24 24 PHE HA H 647 5.910 4.893 1.017 1
1 237 . 8 1 1 A 24 24 PHE CB C 647 44.608 42.155 2.453 1
1 246 . 8 1 1 A 25 25 HIS N N 648 120.957 122.781 -1.824 1
1 247 . 8 1 1 A 25 25 HIS H H 648 8.427 9.156 -0.729 1
1 248 . 8 1 1 A 25 25 HIS CA C 648 58.971 56.147 2.824 1
1 249 . 8 1 1 A 25 25 HIS HA H 648 4.929 4.804 0.125 1
1 250 . 8 1 1 A 25 25 HIS CB C 648 31.178 29.681 1.497 1
1 257 . 8 1 1 A 26 26 LEU N N 649 123.176 117.111 6.065 1
1 258 . 8 1 1 A 26 26 LEU H H 649 9.369 8.287 1.082 1
1 259 . 8 1 1 A 26 26 LEU CA C 649 59.646 57.548 2.098 1
1 260 . 8 1 1 A 26 26 LEU HA H 649 3.829 3.663 0.166 1
1 261 . 8 1 1 A 26 26 LEU CB C 649 39.426 40.151 -0.725 1
1 274 . 8 1 1 A 27 27 ASP N N 650 109.058 119.852 -10.794 1
1 275 . 8 1 1 A 27 27 ASP H H 650 8.326 9.400 -1.074 1
1 276 . 8 1 1 A 27 27 ASP CA C 650 53.998 57.785 -3.787 1
1 277 . 8 1 1 A 27 27 ASP HA H 650 4.739 4.249 0.490 1
1 278 . 8 1 1 A 27 27 ASP CB C 650 40.331 41.292 -0.961 1
1 280 . 8 1 1 A 28 28 CYS N N 651 117.495 116.908 0.587 1
1 281 . 8 1 1 A 28 28 CYS H H 651 7.480 8.169 -0.689 1
1 282 . 8 1 1 A 28 28 CYS CA C 651 61.534 62.746 -1.212 1
1 283 . 8 1 1 A 28 28 CYS HA H 651 4.245 3.965 0.280 1
1 284 . 8 1 1 A 28 28 CYS CB C 651 31.646 26.890 4.756 1
1 286 . 8 1 1 A 29 29 HIS N N 652 116.384 121.812 -5.428 1
1 287 . 8 1 1 A 29 29 HIS H H 652 6.894 7.532 -0.638 1
1 288 . 8 1 1 A 29 29 HIS CA C 652 59.713 57.127 2.586 1
1 289 . 8 1 1 A 29 29 HIS HA H 652 3.644 3.759 -0.115 1
1 290 . 8 1 1 A 29 29 HIS CB C 652 27.909 31.141 -3.232 1
1 296 . 8 1 1 A 30 30 LEU N N 653 121.110 126.603 -5.493 1
1 297 . 8 1 1 A 30 30 LEU H H 653 4.525 8.051 -3.526 1
1 298 . 8 1 1 A 30 30 LEU CA C 653 51.439 59.188 -7.749 1
1 299 . 8 1 1 A 30 30 LEU HA H 653 4.515 3.280 1.235 1
1 300 . 8 1 1 A 30 30 LEU CB C 653 46.001 40.786 5.215 1
1 312 . 8 1 1 A 31 31 PRO CA C 654 62.964 63.626 -0.662 1
1 313 . 8 1 1 A 31 31 PRO HA H 654 4.471 4.268 0.203 1
1 314 . 8 1 1 A 31 31 PRO CB C 654 34.045 32.237 1.808 1
1 322 . 8 1 1 A 32 32 ALA N N 655 125.871 120.117 5.754 1
1 323 . 8 1 1 A 32 32 ALA H H 655 8.766 7.823 0.943 1
1 324 . 8 1 1 A 32 32 ALA CA C 655 52.771 52.957 -0.186 1
1 325 . 8 1 1 A 32 32 ALA HA H 655 4.349 5.114 -0.765 1
1 326 . 8 1 1 A 32 32 ALA CB C 655 18.177 17.919 0.258 1
1 330 . 8 1 1 A 33 33 LEU N N 656 123.348 125.497 -2.149 1
1 331 . 8 1 1 A 33 33 LEU H H 656 8.230 8.833 -0.603 1
1 332 . 8 1 1 A 33 33 LEU CA C 656 54.014 57.532 -3.518 1
1 333 . 8 1 1 A 33 33 LEU HA H 656 4.445 3.901 0.544 1
1 334 . 8 1 1 A 33 33 LEU CB C 656 43.197 42.040 1.157 1
1 347 . 8 1 1 A 34 34 GLN N N 657 119.992 115.402 4.590 1
1 348 . 8 1 1 A 34 34 GLN H H 657 8.679 7.784 0.895 1
1 349 . 8 1 1 A 34 34 GLN CA C 657 56.354 57.874 -1.520 1
1 350 . 8 1 1 A 34 34 GLN HA H 657 4.159 3.948 0.211 1
1 351 . 8 1 1 A 34 34 GLN CB C 657 29.555 26.746 2.809 1
1 359 . 8 1 1 A 35 35 ASP N N 658 115.420 116.052 -0.632 1
1 360 . 8 1 1 A 35 35 ASP H H 658 7.457 7.572 -0.115 1
1 361 . 8 1 1 A 35 35 ASP CA C 658 51.696 53.970 -2.274 1
1 362 . 8 1 1 A 35 35 ASP HA H 658 4.626 4.835 -0.209 1
1 363 . 8 1 1 A 35 35 ASP CB C 658 43.431 43.344 0.087 1
1 366 . 8 1 1 A 36 36 VAL N N 659 122.099 120.893 1.206 1
1 367 . 8 1 1 A 36 36 VAL H H 659 8.624 8.489 0.135 1
1 368 . 8 1 1 A 36 36 VAL CA C 659 60.994 61.163 -0.169 1
1 369 . 8 1 1 A 36 36 VAL HA H 659 3.752 3.864 -0.112 1
1 370 . 8 1 1 A 36 36 VAL CB C 659 32.087 31.448 0.639 1
1 380 . 8 1 1 A 37 37 PRO CA C 660 62.728 63.490 -0.762 1
1 381 . 8 1 1 A 37 37 PRO HA H 660 4.454 4.520 -0.066 1
1 382 . 8 1 1 A 37 37 PRO CB C 660 32.835 32.045 0.790 1
1 391 . 8 1 1 A 38 38 GLY N N 661 106.940 110.989 -4.049 1
1 392 . 8 1 1 A 38 38 GLY H H 661 8.189 8.106 0.083 1
1 393 . 8 1 1 A 38 38 GLY CA C 661 44.397 45.123 -0.726 1
1 394 . 8 1 1 A 38 38 GLY HA3 H 661 3.969 4.017 -0.048 1
1 395 . 8 1 1 A 38 38 GLY HA2 H 661 4.190 3.993 0.197 1
1 396 . 8 1 1 A 39 39 GLU N N 662 117.365 122.506 -5.141 1
1 397 . 8 1 1 A 39 39 GLU H H 662 8.281 8.744 -0.463 1
1 398 . 8 1 1 A 39 39 GLU CA C 662 57.520 55.523 1.997 1
1 399 . 8 1 1 A 39 39 GLU HA H 662 4.281 4.559 -0.278 1
1 400 . 8 1 1 A 39 39 GLU CB C 662 30.013 29.674 0.339 1
1 405 . 8 1 1 A 40 40 GLU N N 663 117.986 118.087 -0.101 1
1 406 . 8 1 1 A 40 40 GLU H H 663 8.697 7.956 0.741 1
1 407 . 8 1 1 A 40 40 GLU CA C 663 56.389 56.123 0.266 1
1 408 . 8 1 1 A 40 40 GLU HA H 663 4.293 4.604 -0.311 1
1 409 . 8 1 1 A 40 40 GLU CB C 663 28.787 31.103 -2.316 1
1 414 . 8 1 1 A 41 41 TRP N N 664 124.391 123.961 0.430 1
1 415 . 8 1 1 A 41 41 TRP H H 664 7.967 7.717 0.250 1
1 416 . 8 1 1 A 41 41 TRP CA C 664 59.934 58.718 1.216 1
1 417 . 8 1 1 A 41 41 TRP HA H 664 4.312 4.589 -0.277 1
1 418 . 8 1 1 A 41 41 TRP CB C 664 29.998 30.231 -0.233 1
1 432 . 8 1 1 A 42 42 SER N N 665 120.355 119.688 0.667 1
1 433 . 8 1 1 A 42 42 SER H H 665 6.873 8.114 -1.241 1
1 434 . 8 1 1 A 42 42 SER CA C 665 55.166 56.832 -1.666 1
1 435 . 8 1 1 A 42 42 SER HA H 665 5.259 4.716 0.543 1
1 436 . 8 1 1 A 42 42 SER CB C 665 65.990 66.195 -0.205 1
1 439 . 8 1 1 A 43 43 CYS N N 666 125.642 121.633 4.009 1
1 440 . 8 1 1 A 43 43 CYS H H 666 9.271 8.074 1.197 1
1 441 . 8 1 1 A 43 43 CYS CA C 666 57.325 58.275 -0.950 1
1 442 . 8 1 1 A 43 43 CYS HA H 666 3.952 3.917 0.035 1
1 443 . 8 1 1 A 43 43 CYS CB C 666 34.022 27.152 6.870 1
1 446 . 8 1 1 A 44 44 SER N N 667 117.158 120.729 -3.571 1
1 447 . 8 1 1 A 44 44 SER H H 667 7.068 8.847 -1.779 1
1 448 . 8 1 1 A 44 44 SER CA C 667 61.353 61.943 -0.590 1
1 449 . 8 1 1 A 44 44 SER HA H 667 4.225 4.316 -0.091 1
1 450 . 8 1 1 A 44 44 SER CB C 667 63.693 63.683 0.010 1
1 453 . 8 1 1 A 45 45 LEU N N 668 120.667 121.181 -0.514 1
1 454 . 8 1 1 A 45 45 LEU H H 668 8.965 8.377 0.588 1
1 455 . 8 1 1 A 45 45 LEU CA C 668 57.416 58.351 -0.935 1
1 456 . 8 1 1 A 45 45 LEU HA H 668 4.178 4.001 0.177 1
1 457 . 8 1 1 A 45 45 LEU CB C 668 40.611 41.624 -1.013 1
1 470 . 8 1 1 A 46 46 CYS N N 669 121.872 115.989 5.883 1
1 471 . 8 1 1 A 46 46 CYS H H 669 7.816 8.623 -0.807 1
1 472 . 8 1 1 A 46 46 CYS CA C 669 62.557 61.139 1.418 1
1 473 . 8 1 1 A 46 46 CYS HA H 669 3.969 4.178 -0.209 1
1 474 . 8 1 1 A 46 46 CYS CB C 669 30.467 27.726 2.741 1
1 477 . 8 1 1 A 47 47 HIS N N 670 119.396 120.989 -1.593 1
1 478 . 8 1 1 A 47 47 HIS H H 670 8.077 7.803 0.274 1
1 479 . 8 1 1 A 47 47 HIS CA C 670 55.625 57.693 -2.068 1
1 480 . 8 1 1 A 47 47 HIS HA H 670 4.429 4.041 0.388 1
1 481 . 8 1 1 A 47 47 HIS CB C 670 30.326 30.053 0.273 1
1 488 . 8 1 1 A 48 48 VAL N N 671 123.528 119.935 3.593 1
1 489 . 8 1 1 A 48 48 VAL H H 671 7.978 7.287 0.691 1
1 490 . 8 1 1 A 48 48 VAL CA C 671 62.120 63.029 -0.909 1
1 491 . 8 1 1 A 48 48 VAL HA H 671 3.925 3.890 0.035 1
1 492 . 8 1 1 A 48 48 VAL CB C 671 32.396 32.495 -0.099 1
1 502 . 8 1 1 A 49 49 LEU N N 672 126.622 124.865 1.757 1
1 503 . 8 1 1 A 49 49 LEU H H 672 8.139 8.495 -0.356 1
1 504 . 8 1 1 A 49 49 LEU CA C 672 52.859 52.525 0.334 1
1 505 . 8 1 1 A 49 49 LEU HA H 672 4.475 4.683 -0.208 1
1 506 . 8 1 1 A 49 49 LEU CB C 672 41.536 41.905 -0.369 1
1 518 . 8 1 1 A 50 50 PRO CA C 673 62.715 66.168 -3.453 1
1 519 . 8 1 1 A 50 50 PRO HA H 673 4.386 4.313 0.073 1
1 520 . 8 1 1 A 50 50 PRO CB C 673 32.093 31.281 0.812 1
1 528 . 8 1 1 A 51 51 ASP N N 674 120.540 116.629 3.911 1
1 529 . 8 1 1 A 51 51 ASP H H 674 8.307 8.069 0.238 1
1 530 . 8 1 1 A 51 51 ASP CA C 674 54.202 54.387 -0.185 1
1 531 . 8 1 1 A 51 51 ASP HA H 674 4.564 4.906 -0.342 1
1 532 . 8 1 1 A 51 51 ASP CB C 674 41.030 43.977 -2.947 1
1 535 . 8 1 1 A 52 52 LEU N N 675 122.987 118.339 4.648 1
1 536 . 8 1 1 A 52 52 LEU H H 675 8.053 8.036 0.017 1
1 537 . 8 1 1 A 52 52 LEU CA C 675 54.945 56.053 -1.108 1
1 538 . 8 1 1 A 52 52 LEU HA H 675 4.364 3.869 0.495 1
1 539 . 8 1 1 A 52 52 LEU CB C 675 42.436 40.658 1.778 1
1 551 . 8 1 1 A 53 53 LYS N N 676 122.061 119.998 2.063 1
1 552 . 8 1 1 A 53 53 LYS H H 676 8.340 7.967 0.373 1
1 553 . 8 1 1 A 53 53 LYS CA C 676 56.060 59.910 -3.850 1
1 554 . 8 1 1 A 53 53 LYS HA H 676 4.331 3.992 0.339 1
1 555 . 8 1 1 A 53 53 LYS CB C 676 32.363 32.300 0.063 1
1 564 . 8 1 1 A 54 54 GLU N N 677 121.909 115.726 6.183 1
1 565 . 8 1 1 A 54 54 GLU H H 677 8.403 7.910 0.493 1
1 566 . 8 1 1 A 54 54 GLU CA C 677 56.586 57.549 -0.963 1
1 567 . 8 1 1 A 54 54 GLU HA H 677 4.312 4.010 0.302 1
1 568 . 8 1 1 A 54 54 GLU CB C 677 30.221 27.408 2.813 1
1 573 . 8 1 1 A 55 55 GLU N N 678 121.528 118.685 2.843 1
1 574 . 8 1 1 A 55 55 GLU H H 678 8.486 8.214 0.272 1
1 575 . 8 1 1 A 55 55 GLU CA C 678 56.368 58.884 -2.516 1
1 576 . 8 1 1 A 55 55 GLU HA H 678 4.315 4.070 0.245 1
1 577 . 8 1 1 A 55 55 GLU CB C 678 28.896 29.001 -0.105 1
1 582 . 8 1 1 A 56 56 ASP N N 679 121.530 119.743 1.787 1
1 583 . 8 1 1 A 56 56 ASP H H 679 8.322 8.072 0.250 1
1 584 . 8 1 1 A 56 56 ASP CA C 679 54.252 55.193 -0.941 1
1 585 . 8 1 1 A 56 56 ASP HA H 679 4.680 4.332 0.348 1
1 586 . 8 1 1 A 56 56 ASP CB C 679 41.146 40.097 1.049 1
1 588 . 8 1 1 A 57 57 GLY N N 680 109.997 108.029 1.968 1
1 589 . 8 1 1 A 57 57 GLY H H 680 8.412 8.096 0.316 1
1 590 . 8 1 1 A 57 57 GLY CA C 680 45.247 46.708 -1.461 1
1 591 . 8 1 1 A 57 57 GLY HA2 H 680 4.020 3.931 0.089 1
1 592 . 8 1 1 A 58 58 SER N N 681 115.994 113.969 2.025 1
1 593 . 8 1 1 A 58 58 SER H H 681 8.280 7.749 0.531 1
1 594 . 8 1 1 A 58 58 SER CA C 681 58.239 57.473 0.766 1
1 595 . 8 1 1 A 58 58 SER HA H 681 3.996 4.739 -0.743 1
1 596 . 8 1 1 A 58 58 SER CB C 681 63.789 64.026 -0.237 1
1 598 . 8 1 1 A 59 59 LEU N N 682 123.362 124.252 -0.890 1
1 599 . 8 1 1 A 59 59 LEU H H 682 8.164 7.462 0.702 1
1 600 . 8 1 1 A 59 59 LEU CA C 682 55.160 54.022 1.138 1
1 601 . 8 1 1 A 59 59 LEU HA H 682 4.427 4.896 -0.469 1
1 602 . 8 1 1 A 59 59 LEU CB C 682 42.473 45.285 -2.812 1
1 614 . 8 1 1 A 60 60 SER N N 683 116.385 118.640 -2.255 1
1 615 . 8 1 1 A 60 60 SER H H 683 8.226 8.632 -0.406 1
1 616 . 8 1 1 A 60 60 SER CA C 683 58.004 57.787 0.217 1
1 617 . 8 1 1 A 60 60 SER HA H 683 4.517 4.681 -0.164 1
1 618 . 8 1 1 A 60 60 SER CB C 683 63.651 65.016 -1.365 1
1 620 . 8 1 1 A 61 61 LEU N N 684 124.466 117.701 6.765 1
1 621 . 8 1 1 A 61 61 LEU H H 684 8.303 8.086 0.217 1
1 622 . 8 1 1 A 61 61 LEU CA C 684 54.959 56.908 -1.949 1
1 623 . 8 1 1 A 61 61 LEU HA H 684 4.412 3.914 0.498 1
1 624 . 8 1 1 A 61 61 LEU CB C 684 41.713 39.959 1.754 1
1 635 . 8 1 1 A 62 62 ASP N N 685 120.536 117.212 3.324 1
1 636 . 8 1 1 A 62 62 ASP H H 685 8.267 8.071 0.196 1
1 637 . 8 1 1 A 62 62 ASP CA C 685 54.276 53.975 0.301 1
1 638 . 8 1 1 A 62 62 ASP HA H 685 4.680 4.919 -0.239 1
1 639 . 8 1 1 A 62 62 ASP CB C 685 41.125 43.340 -2.215 1
1 642 . 8 1 1 A 63 63 GLY N N 686 109.373 114.473 -5.100 1
1 643 . 8 1 1 A 63 63 GLY H H 686 8.277 8.785 -0.508 1
1 644 . 8 1 1 A 63 63 GLY CA C 686 45.297 45.884 -0.587 1
1 645 . 8 1 1 A 63 63 GLY HA2 H 686 3.992 4.017 -0.025 1
1 646 . 8 1 1 A 64 64 ALA N N 687 123.584 127.036 -3.452 1
1 647 . 8 1 1 A 64 64 ALA H H 687 8.129 8.749 -0.620 1
1 648 . 8 1 1 A 64 64 ALA CA C 687 52.637 52.599 0.038 1
1 649 . 8 1 1 A 64 64 ALA HA H 687 4.379 4.584 -0.205 1
1 650 . 8 1 1 A 64 64 ALA CB C 687 19.122 21.714 -2.592 1
1 654 . 8 1 1 A 65 65 ASP N N 688 118.924 115.807 3.117 1
1 655 . 8 1 1 A 65 65 ASP H H 688 8.326 7.884 0.442 1
1 656 . 8 1 1 A 65 65 ASP CA C 688 53.972 53.099 0.873 1
1 657 . 8 1 1 A 65 65 ASP HA H 688 4.682 4.796 -0.114 1
1 658 . 8 1 1 A 65 65 ASP CB C 688 41.061 42.006 -0.945 1
1 660 . 8 1 1 A 66 66 SER N N 689 116.036 114.897 1.139 1
1 661 . 8 1 1 A 66 66 SER H H 689 8.285 8.960 -0.675 1
1 662 . 8 1 1 A 66 66 SER CA C 689 58.352 59.340 -0.988 1
1 663 . 8 1 1 A 66 66 SER HA H 689 4.443 4.196 0.247 1
1 664 . 8 1 1 A 66 66 SER CB C 689 63.665 63.122 0.543 1
1 666 . 8 1 1 A 67 67 THR N N 690 115.059 111.445 3.614 1
1 667 . 8 1 1 A 67 67 THR H H 690 8.253 8.093 0.160 1
1 668 . 8 1 1 A 67 67 THR CA C 690 62.556 61.848 0.708 1
1 669 . 8 1 1 A 67 67 THR HA H 690 4.379 4.645 -0.266 1
1 670 . 8 1 1 A 67 67 THR CB C 690 69.623 70.870 -1.247 1
1 676 . 8 1 1 A 68 68 GLY N N 691 111.091 108.275 2.816 1
1 677 . 8 1 1 A 68 68 GLY H H 691 8.366 7.679 0.687 1
1 678 . 8 1 1 A 68 68 GLY CA C 691 45.297 45.842 -0.545 1
1 679 . 8 1 1 A 68 68 GLY HA2 H 691 4.002 4.127 -0.125 1
1 680 . 8 1 1 A 69 69 VAL N N 692 119.280 119.407 -0.127 1
1 681 . 8 1 1 A 69 69 VAL H H 692 7.876 8.256 -0.380 1
1 682 . 8 1 1 A 69 69 VAL CA C 692 62.068 64.836 -2.768 1
1 683 . 8 1 1 A 69 69 VAL HA H 692 4.176 3.878 0.298 1
1 684 . 8 1 1 A 69 69 VAL CB C 692 32.322 31.446 0.876 1
1 690 . 8 1 1 A 70 70 VAL N N 693 123.601 119.461 4.140 1
1 691 . 8 1 1 A 70 70 VAL H H 693 8.102 7.439 0.663 1
1 692 . 8 1 1 A 70 70 VAL CA C 693 61.886 63.191 -1.305 1
1 693 . 8 1 1 A 70 70 VAL HA H 693 4.150 4.280 -0.130 1
1 694 . 8 1 1 A 70 70 VAL CB C 693 32.429 33.562 -1.133 1
1 700 . 8 1 1 A 71 71 ALA N N 694 129.048 122.359 6.689 1
1 701 . 8 1 1 A 71 71 ALA H H 694 8.374 8.057 0.317 1
1 702 . 8 1 1 A 71 71 ALA CA C 694 52.125 53.065 -0.940 1
1 703 . 8 1 1 A 71 71 ALA HA H 694 4.454 4.046 0.408 1
1 704 . 8 1 1 A 71 71 ALA CB C 694 19.203 17.315 1.888 1
1 708 . 8 1 1 A 72 72 LYS N N 695 118.535 116.557 1.978 1
1 709 . 8 1 1 A 72 72 LYS H H 695 7.833 7.987 -0.154 1
1 710 . 8 1 1 A 72 72 LYS CA C 695 54.556 59.243 -4.687 1
1 711 . 8 1 1 A 72 72 LYS HA H 695 4.827 4.101 0.726 1
1 712 . 8 1 1 A 72 72 LYS CB C 695 35.245 32.500 2.745 1
1 722 . 8 1 1 A 73 73 LEU N N 696 121.834 115.231 6.603 1
1 723 . 8 1 1 A 73 73 LEU H H 696 8.772 7.789 0.983 1
1 724 . 8 1 1 A 73 73 LEU CA C 696 54.973 54.881 0.092 1
1 725 . 8 1 1 A 73 73 LEU HA H 696 4.268 4.565 -0.297 1
1 726 . 8 1 1 A 73 73 LEU CB C 696 42.467 42.918 -0.451 1
1 739 . 8 1 1 A 74 74 SER N N 697 121.120 113.745 7.375 1
1 740 . 8 1 1 A 74 74 SER H H 697 8.890 7.550 1.340 1
1 741 . 8 1 1 A 74 74 SER CA C 697 56.165 56.744 -0.579 1
1 742 . 8 1 1 A 74 74 SER HA H 697 4.710 4.589 0.121 1
1 743 . 8 1 1 A 74 74 SER CB C 697 62.177 65.570 -3.393 1
1 745 . 8 1 1 A 75 75 PRO CA C 698 66.251 65.025 1.226 1
1 746 . 8 1 1 A 75 75 PRO HA H 698 4.350 4.439 -0.089 1
1 747 . 8 1 1 A 75 75 PRO CB C 698 31.661 31.934 -0.273 1
1 755 . 8 1 1 A 76 76 ALA N N 699 117.914 119.778 -1.864 1
1 756 . 8 1 1 A 76 76 ALA H H 699 8.458 8.171 0.287 1
1 757 . 8 1 1 A 76 76 ALA CA C 699 55.000 55.116 -0.116 1
1 758 . 8 1 1 A 76 76 ALA HA H 699 4.132 4.181 -0.049 1
1 759 . 8 1 1 A 76 76 ALA CB C 699 18.785 18.944 -0.159 1
1 763 . 8 1 1 A 77 77 ASN N N 700 116.945 116.987 -0.042 1
1 764 . 8 1 1 A 77 77 ASN H H 700 7.760 8.278 -0.518 1
1 765 . 8 1 1 A 77 77 ASN CA C 700 55.210 56.227 -1.017 1
1 766 . 8 1 1 A 77 77 ASN HA H 700 4.763 4.368 0.395 1
1 767 . 8 1 1 A 77 77 ASN CB C 700 38.005 37.692 0.313 1
1 770 . 8 1 1 A 78 78 GLN N N 701 124.719 120.216 4.503 1
1 771 . 8 1 1 A 78 78 GLN H H 701 9.480 8.416 1.064 1
1 772 . 8 1 1 A 78 78 GLN CA C 701 59.634 59.508 0.126 1
1 773 . 8 1 1 A 78 78 GLN HA H 701 3.673 4.267 -0.594 1
1 774 . 8 1 1 A 78 78 GLN CB C 701 27.114 28.614 -1.500 1
1 782 . 8 1 1 A 79 79 ARG N N 702 117.069 119.569 -2.500 1
1 783 . 8 1 1 A 79 79 ARG H H 702 7.654 8.129 -0.475 1
1 784 . 8 1 1 A 79 79 ARG CA C 702 57.561 59.523 -1.962 1
1 785 . 8 1 1 A 79 79 ARG HA H 702 4.487 4.072 0.415 1
1 786 . 8 1 1 A 79 79 ARG CB C 702 29.680 30.232 -0.552 1
1 794 . 8 1 1 A 80 80 LYS N N 703 119.251 118.395 0.856 1
1 795 . 8 1 1 A 80 80 LYS H H 703 7.636 8.612 -0.976 1
1 796 . 8 1 1 A 80 80 LYS CA C 703 60.735 59.460 1.275 1
1 797 . 8 1 1 A 80 80 LYS HA H 703 3.702 4.129 -0.427 1
1 798 . 8 1 1 A 80 80 LYS CB C 703 34.002 32.481 1.521 1
1 808 . 8 1 1 A 81 81 CYS N N 704 115.848 118.570 -2.722 1
1 809 . 8 1 1 A 81 81 CYS H H 704 8.031 8.493 -0.462 1
1 810 . 8 1 1 A 81 81 CYS CA C 704 64.823 63.284 1.539 1
1 811 . 8 1 1 A 81 81 CYS HA H 704 3.687 4.028 -0.341 1
1 812 . 8 1 1 A 81 81 CYS CB C 704 26.491 26.381 0.110 1
1 815 . 8 1 1 A 82 82 GLU N N 705 118.931 120.154 -1.223 1
1 816 . 8 1 1 A 82 82 GLU H H 705 8.286 8.991 -0.705 1
1 817 . 8 1 1 A 82 82 GLU CA C 705 59.887 59.738 0.149 1
1 818 . 8 1 1 A 82 82 GLU HA H 705 3.589 4.076 -0.487 1
1 819 . 8 1 1 A 82 82 GLU CB C 705 29.067 29.214 -0.147 1
1 825 . 8 1 1 A 83 83 ARG N N 706 119.029 120.090 -1.061 1
1 826 . 8 1 1 A 83 83 ARG H H 706 7.931 8.064 -0.133 1
1 827 . 8 1 1 A 83 83 ARG CA C 706 60.133 58.827 1.306 1
1 828 . 8 1 1 A 83 83 ARG HA H 706 3.748 4.264 -0.516 1
1 829 . 8 1 1 A 83 83 ARG CB C 706 30.197 30.044 0.153 1
1 838 . 8 1 1 A 84 84 VAL N N 707 119.247 119.722 -0.475 1
1 839 . 8 1 1 A 84 84 VAL H H 707 7.762 8.220 -0.458 1
1 840 . 8 1 1 A 84 84 VAL CA C 707 67.133 66.512 0.621 1
1 841 . 8 1 1 A 84 84 VAL HA H 707 3.562 3.820 -0.258 1
1 842 . 8 1 1 A 84 84 VAL CB C 707 31.857 31.745 0.112 1
1 852 . 8 1 1 A 85 85 LEU N N 708 119.414 121.137 -1.723 1
1 853 . 8 1 1 A 85 85 LEU H H 708 8.844 8.436 0.408 1
1 854 . 8 1 1 A 85 85 LEU CA C 708 57.561 58.640 -1.079 1
1 855 . 8 1 1 A 85 85 LEU HA H 708 4.366 4.202 0.164 1
1 856 . 8 1 1 A 85 85 LEU CB C 708 41.320 41.960 -0.640 1
1 869 . 8 1 1 A 86 86 LEU N N 709 120.156 118.814 1.342 1
1 870 . 8 1 1 A 86 86 LEU H H 709 9.044 8.014 1.030 1
1 871 . 8 1 1 A 86 86 LEU CA C 709 57.977 57.797 0.180 1
1 872 . 8 1 1 A 86 86 LEU HA H 709 4.382 4.093 0.289 1
1 873 . 8 1 1 A 86 86 LEU CB C 709 41.069 40.905 0.164 1
1 886 . 8 1 1 A 87 87 ALA N N 710 121.264 122.242 -0.978 1
1 887 . 8 1 1 A 87 87 ALA H H 710 8.136 8.574 -0.438 1
1 888 . 8 1 1 A 87 87 ALA CA C 710 55.439 55.793 -0.354 1
1 889 . 8 1 1 A 87 87 ALA HA H 710 4.217 4.682 -0.465 1
1 890 . 8 1 1 A 87 87 ALA CB C 710 17.525 18.593 -1.068 1
1 894 . 8 1 1 A 88 88 LEU N N 711 117.148 118.573 -1.425 1
1 895 . 8 1 1 A 88 88 LEU H H 711 8.158 8.827 -0.669 1
1 896 . 8 1 1 A 88 88 LEU CA C 711 58.688 57.738 0.950 1
1 897 . 8 1 1 A 88 88 LEU HA H 711 4.401 3.485 0.916 1
1 898 . 8 1 1 A 88 88 LEU CB C 711 41.534 42.008 -0.474 1
1 911 . 8 1 1 A 89 89 PHE N N 712 117.048 117.037 0.011 1
1 912 . 8 1 1 A 89 89 PHE H H 712 8.536 8.772 -0.236 1
1 913 . 8 1 1 A 89 89 PHE CA C 712 62.732 60.788 1.944 1
1 914 . 8 1 1 A 89 89 PHE HA H 712 3.971 4.426 -0.455 1
1 915 . 8 1 1 A 89 89 PHE CB C 712 40.351 38.498 1.853 1
1 922 . 8 1 1 A 90 90 CYS N N 713 111.682 117.779 -6.097 1
1 923 . 8 1 1 A 90 90 CYS H H 713 7.689 8.791 -1.102 1
1 924 . 8 1 1 A 90 90 CYS CA C 713 60.573 63.035 -2.462 1
1 925 . 8 1 1 A 90 90 CYS HA H 713 4.614 3.958 0.656 1
1 926 . 8 1 1 A 90 90 CYS CB C 713 28.820 27.053 1.767 1
1 929 . 8 1 1 A 91 91 HIS N N 714 123.036 115.709 7.327 1
1 930 . 8 1 1 A 91 91 HIS H H 714 7.517 7.631 -0.114 1
1 931 . 8 1 1 A 91 91 HIS CA C 714 54.945 54.794 0.151 1
1 932 . 8 1 1 A 91 91 HIS HA H 714 4.939 4.524 0.415 1
1 933 . 8 1 1 A 91 91 HIS CB C 714 31.433 31.757 -0.324 1
1 940 . 8 1 1 A 92 92 GLU CA C 715 61.506 60.780 0.726 1
1 941 . 8 1 1 A 92 92 GLU HA H 715 4.052 3.968 0.084 1
1 942 . 8 1 1 A 92 92 GLU CB C 715 26.765 29.502 -2.737 1
1 947 . 8 1 1 A 93 93 PRO CA C 716 65.272 66.281 -1.009 1
1 948 . 8 1 1 A 93 93 PRO HA H 716 4.294 4.329 -0.035 1
1 949 . 8 1 1 A 93 93 PRO CB C 716 31.486 31.125 0.361 1
1 958 . 8 1 1 A 94 94 CYS N N 717 110.309 115.562 -5.253 1
1 959 . 8 1 1 A 94 94 CYS H H 717 7.667 8.499 -0.832 1
1 960 . 8 1 1 A 94 94 CYS CA C 717 58.484 62.089 -3.605 1
1 961 . 8 1 1 A 94 94 CYS HA H 717 4.406 4.292 0.114 1
1 962 . 8 1 1 A 94 94 CYS CB C 717 28.612 27.436 1.176 1
1 965 . 8 1 1 A 95 95 ARG N N 718 122.655 120.588 2.067 1
1 966 . 8 1 1 A 95 95 ARG H H 718 7.928 8.634 -0.706 1
1 967 . 8 1 1 A 95 95 ARG CA C 718 60.829 60.171 0.658 1
1 968 . 8 1 1 A 95 95 ARG HA H 718 3.740 2.331 1.409 1
1 969 . 8 1 1 A 95 95 ARG CB C 718 28.131 28.814 -0.683 1
1 977 . 8 1 1 A 96 96 PRO CA C 719 65.328 66.121 -0.793 1
1 978 . 8 1 1 A 96 96 PRO HA H 719 4.456 4.003 0.453 1
1 979 . 8 1 1 A 96 96 PRO CB C 719 31.665 30.124 1.541 1
1 987 . 8 1 1 A 97 97 LEU N N 720 112.429 116.391 -3.962 1
1 988 . 8 1 1 A 97 97 LEU H H 720 7.720 6.893 0.827 1
1 989 . 8 1 1 A 97 97 LEU CA C 720 54.707 56.959 -2.252 1
1 990 . 8 1 1 A 97 97 LEU HA H 720 4.228 3.767 0.461 1
1 991 . 8 1 1 A 97 97 LEU CB C 720 40.391 40.741 -0.350 1
1 1004 . 8 1 1 A 98 98 HIS N N 721 118.891 116.707 2.184 1
1 1005 . 8 1 1 A 98 98 HIS H H 721 7.964 8.423 -0.459 1
1 1006 . 8 1 1 A 98 98 HIS CA C 721 60.901 57.967 2.934 1
1 1007 . 8 1 1 A 98 98 HIS HA H 721 4.190 3.943 0.247 1
1 1008 . 8 1 1 A 98 98 HIS CB C 721 31.678 29.410 2.268 1
1 1015 . 8 1 1 A 99 99 GLN N N 722 116.787 116.072 0.715 1
1 1016 . 8 1 1 A 99 99 GLN H H 722 8.090 7.603 0.487 1
1 1017 . 8 1 1 A 99 99 GLN CA C 722 55.180 54.889 0.291 1
1 1018 . 8 1 1 A 99 99 GLN HA H 722 4.808 4.899 -0.091 1
1 1019 . 8 1 1 A 99 99 GLN CB C 722 30.690 29.569 1.121 1
1 1024 . 8 1 1 A 100 100 LEU H H 723 9.277 8.341 0.936 1
1 1025 . 8 1 1 A 100 100 LEU CA C 723 55.397 55.759 -0.362 1
1 1026 . 8 1 1 A 100 100 LEU HA H 723 4.566 4.301 0.265 1
1 1027 . 8 1 1 A 100 100 LEU CB C 723 43.862 42.691 1.171 1
1 1040 . 8 1 1 A 101 101 ALA N N 724 123.211 120.820 2.391 1
1 1041 . 8 1 1 A 101 101 ALA H H 724 8.577 7.657 0.920 1
1 1042 . 8 1 1 A 101 101 ALA CA C 724 52.591 52.168 0.423 1
1 1043 . 8 1 1 A 101 101 ALA HA H 724 4.392 4.327 0.065 1
1 1044 . 8 1 1 A 101 101 ALA CB C 724 19.262 20.147 -0.885 1
1 1048 . 8 1 1 A 102 102 THR N N 725 112.189 109.497 2.692 1
1 1049 . 8 1 1 A 102 102 THR H H 725 8.069 8.305 -0.236 1
1 1050 . 8 1 1 A 102 102 THR CA C 725 61.802 60.606 1.196 1
1 1051 . 8 1 1 A 102 102 THR HA H 725 4.366 4.754 -0.388 1
1 1052 . 8 1 1 A 102 102 THR CB C 725 69.684 69.157 0.527 1
1 1058 . 8 1 1 A 103 103 ASP N N 726 121.846 122.884 -1.038 1
1 1059 . 8 1 1 A 103 103 ASP H H 726 8.195 8.154 0.041 1
1 1060 . 8 1 1 A 103 103 ASP CA C 726 54.057 54.244 -0.187 1
1 1061 . 8 1 1 A 103 103 ASP HA H 726 4.681 4.465 0.216 1
1 1062 . 8 1 1 A 103 103 ASP CB C 726 41.228 39.977 1.251 1
1 1064 . 8 1 1 A 104 104 SER N N 727 116.230 119.818 -3.588 1
1 1065 . 8 1 1 A 104 104 SER H H 727 8.260 8.945 -0.685 1
1 1066 . 8 1 1 A 104 104 SER CA C 727 58.945 58.093 0.852 1
1 1067 . 8 1 1 A 104 104 SER HA H 727 4.468 4.520 -0.052 1
1 1068 . 8 1 1 A 104 104 SER CB C 727 63.856 63.456 0.400 1
1 1070 . 8 1 1 A 105 105 THR N N 728 115.362 111.006 4.356 1
1 1071 . 8 1 1 A 105 105 THR H H 728 8.205 7.768 0.437 1
1 1072 . 8 1 1 A 105 105 THR CA C 728 62.744 61.735 1.009 1
1 1073 . 8 1 1 A 105 105 THR HA H 728 4.238 4.160 0.078 1
1 1074 . 8 1 1 A 105 105 THR CB C 728 69.490 68.751 0.739 1
1 1080 . 8 1 1 A 106 106 PHE N N 729 121.735 118.563 3.172 1
1 1081 . 8 1 1 A 106 106 PHE H H 729 8.047 7.898 0.149 1
1 1082 . 8 1 1 A 106 106 PHE CA C 729 57.966 57.187 0.779 1
1 1083 . 8 1 1 A 106 106 PHE HA H 729 4.626 4.715 -0.089 1
1 1084 . 8 1 1 A 106 106 PHE CB C 729 39.633 41.198 -1.565 1
1 1090 . 8 1 1 A 107 107 SER N N 730 116.751 115.140 1.611 1
1 1091 . 8 1 1 A 107 107 SER H H 730 7.962 8.101 -0.139 1
1 1092 . 8 1 1 A 107 107 SER CA C 730 57.921 59.686 -1.765 1
1 1093 . 8 1 1 A 107 107 SER HA H 730 4.413 4.404 0.009 1
1 1094 . 8 1 1 A 107 107 SER CB C 730 63.659 62.493 1.166 1
1 1097 . 8 1 1 A 108 108 LEU N N 731 123.373 118.287 5.086 1
1 1098 . 8 1 1 A 108 108 LEU H H 731 8.212 8.290 -0.078 1
1 1099 . 8 1 1 A 108 108 LEU CA C 731 55.650 57.836 -2.186 1
1 1100 . 8 1 1 A 108 108 LEU HA H 731 4.265 4.040 0.225 1
1 1101 . 8 1 1 A 108 108 LEU CB C 731 42.257 41.221 1.036 1
1 1113 . 8 1 1 A 109 109 ASP N N 732 118.496 119.169 -0.673 1
1 1114 . 8 1 1 A 109 109 ASP H H 732 8.172 7.788 0.384 1
1 1115 . 8 1 1 A 109 109 ASP CA C 732 54.239 52.814 1.425 1
1 1116 . 8 1 1 A 109 109 ASP HA H 732 4.566 4.795 -0.229 1
1 1117 . 8 1 1 A 109 109 ASP CB C 732 41.124 40.555 0.569 1
1 1120 . 8 1 1 A 110 110 GLN N N 733 119.403 119.820 -0.417 1
1 1121 . 8 1 1 A 110 110 GLN H H 733 7.707 7.988 -0.281 1
1 1122 . 8 1 1 A 110 110 GLN CA C 733 53.251 55.042 -1.791 1
1 1123 . 8 1 1 A 110 110 GLN HA H 733 4.675 4.264 0.411 1
1 1124 . 8 1 1 A 110 110 GLN CB C 733 29.061 29.225 -0.164 1
1 1129 . 8 1 1 A 111 111 PRO CA C 734 63.869 63.888 -0.019 1
1 1130 . 8 1 1 A 111 111 PRO HA H 734 4.435 4.614 -0.179 1
1 1131 . 8 1 1 A 111 111 PRO CB C 734 31.900 31.757 0.143 1
1 1139 . 8 1 1 A 112 112 GLY N N 735 109.783 106.239 3.544 1
1 1140 . 8 1 1 A 112 112 GLY H H 735 8.510 7.612 0.898 1
1 1141 . 8 1 1 A 112 112 GLY CA C 735 44.954 45.576 -0.622 1
1 1142 . 8 1 1 A 112 112 GLY HA3 H 735 3.903 4.111 -0.208 1
1 1143 . 8 1 1 A 112 112 GLY HA2 H 735 3.994 4.108 -0.114 1
1 1144 . 8 1 1 A 113 113 GLY N N 736 108.485 106.870 1.615 1
1 1145 . 8 1 1 A 113 113 GLY H H 736 8.138 8.200 -0.062 1
1 1146 . 8 1 1 A 113 113 GLY CA C 736 44.755 45.411 -0.656 1
1 1147 . 8 1 1 A 113 113 GLY HA3 H 736 3.899 4.069 -0.170 1
1 1148 . 8 1 1 A 113 113 GLY HA2 H 736 3.964 4.065 -0.101 1
1 1149 . 8 1 1 A 114 114 THR N N 737 116.361 114.222 2.139 1
1 1150 . 8 1 1 A 114 114 THR H H 737 7.951 8.316 -0.365 1
1 1151 . 8 1 1 A 114 114 THR CA C 737 62.508 62.969 -0.461 1
1 1152 . 8 1 1 A 114 114 THR HA H 737 4.189 4.564 -0.375 1
1 1153 . 8 1 1 A 114 114 THR CB C 737 69.780 71.353 -1.573 1
1 1159 . 8 1 1 A 115 115 LEU N N 738 125.899 121.642 4.257 1
1 1160 . 8 1 1 A 115 115 LEU H H 738 8.575 7.956 0.619 1
1 1161 . 8 1 1 A 115 115 LEU CA C 738 54.534 55.146 -0.612 1
1 1162 . 8 1 1 A 115 115 LEU HA H 738 4.452 4.275 0.177 1
1 1163 . 8 1 1 A 115 115 LEU CB C 738 45.506 42.004 3.502 1
1 1176 . 8 1 1 A 116 116 ASP N N 739 115.416 116.698 -1.282 1
1 1177 . 8 1 1 A 116 116 ASP H H 739 6.819 8.281 -1.462 1
1 1178 . 8 1 1 A 116 116 ASP CA C 739 52.606 53.445 -0.839 1
1 1179 . 8 1 1 A 116 116 ASP HA H 739 4.472 4.813 -0.341 1
1 1180 . 8 1 1 A 116 116 ASP CB C 739 42.811 40.574 2.237 1
1 1183 . 8 1 1 A 117 117 LEU N N 740 115.281 118.234 -2.953 1
1 1184 . 8 1 1 A 117 117 LEU H H 740 8.213 8.732 -0.519 1
1 1185 . 8 1 1 A 117 117 LEU CA C 740 57.750 56.421 1.329 1
1 1186 . 8 1 1 A 117 117 LEU HA H 740 3.841 4.093 -0.252 1
1 1187 . 8 1 1 A 117 117 LEU CB C 740 42.005 41.903 0.102 1
1 1200 . 8 1 1 A 118 118 THR N N 741 116.995 113.573 3.422 1
1 1201 . 8 1 1 A 118 118 THR H H 741 8.152 7.769 0.383 1
1 1202 . 8 1 1 A 118 118 THR CA C 741 68.068 65.619 2.449 1
1 1203 . 8 1 1 A 118 118 THR HA H 741 4.054 4.195 -0.141 1
1 1204 . 8 1 1 A 118 118 THR CB C 741 68.392 68.884 -0.492 1
1 1210 . 8 1 1 A 119 119 LEU N N 742 127.180 120.392 6.788 1
1 1211 . 8 1 1 A 119 119 LEU H H 742 8.804 7.723 1.081 1
1 1212 . 8 1 1 A 119 119 LEU CA C 742 58.460 57.907 0.553 1
1 1213 . 8 1 1 A 119 119 LEU HA H 742 4.214 4.002 0.212 1
1 1214 . 8 1 1 A 119 119 LEU CB C 742 42.491 41.502 0.989 1
1 1227 . 8 1 1 A 120 120 ILE N N 743 120.880 120.884 -0.004 1
1 1228 . 8 1 1 A 120 120 ILE H H 743 7.884 8.066 -0.182 1
1 1229 . 8 1 1 A 120 120 ILE CA C 743 65.546 65.060 0.486 1
1 1230 . 8 1 1 A 120 120 ILE HA H 743 4.101 3.697 0.404 1
1 1231 . 8 1 1 A 120 120 ILE CB C 743 38.693 37.632 1.061 1
1 1244 . 8 1 1 A 121 121 ARG N N 744 119.772 122.705 -2.933 1
1 1245 . 8 1 1 A 121 121 ARG H H 744 8.792 8.052 0.740 1
1 1246 . 8 1 1 A 121 121 ARG CA C 744 60.369 59.236 1.133 1
1 1247 . 8 1 1 A 121 121 ARG HA H 744 3.896 3.673 0.223 1
1 1248 . 8 1 1 A 121 121 ARG CB C 744 30.241 29.685 0.556 1
1 1257 . 8 1 1 A 122 122 ALA N N 745 120.978 122.319 -1.341 1
1 1258 . 8 1 1 A 122 122 ALA H H 745 8.303 8.081 0.222 1
1 1259 . 8 1 1 A 122 122 ALA CA C 745 55.203 55.278 -0.075 1
1 1260 . 8 1 1 A 122 122 ALA HA H 745 4.246 3.980 0.266 1
1 1261 . 8 1 1 A 122 122 ALA CB C 745 18.005 18.249 -0.244 1
1 1265 . 8 1 1 A 123 123 ARG N N 746 119.408 117.719 1.689 1
1 1266 . 8 1 1 A 123 123 ARG H H 746 8.224 8.018 0.206 1
1 1267 . 8 1 1 A 123 123 ARG CA C 746 59.895 59.308 0.587 1
1 1268 . 8 1 1 A 123 123 ARG HA H 746 4.335 4.005 0.330 1
1 1269 . 8 1 1 A 123 123 ARG CB C 746 29.768 30.171 -0.403 1
1 1279 . 8 1 1 A 124 124 LEU N N 747 125.115 120.398 4.717 1
1 1280 . 8 1 1 A 124 124 LEU H H 747 9.029 7.809 1.220 1
1 1281 . 8 1 1 A 124 124 LEU CA C 747 57.559 57.711 -0.152 1
1 1282 . 8 1 1 A 124 124 LEU HA H 747 4.925 3.550 1.375 1
1 1283 . 8 1 1 A 124 124 LEU CB C 747 42.721 41.048 1.673 1
1 1296 . 8 1 1 A 125 125 GLN N N 748 114.117 116.540 -2.423 1
1 1297 . 8 1 1 A 125 125 GLN H H 748 8.418 7.961 0.457 1
1 1298 . 8 1 1 A 125 125 GLN CA C 748 55.664 57.689 -2.025 1
1 1299 . 8 1 1 A 125 125 GLN HA H 748 4.444 4.196 0.248 1
1 1300 . 8 1 1 A 125 125 GLN CB C 748 29.301 28.791 0.510 1
1 1309 . 8 1 1 A 126 126 GLU N N 749 113.381 115.643 -2.262 1
1 1310 . 8 1 1 A 126 126 GLU H H 749 7.978 8.015 -0.037 1
1 1311 . 8 1 1 A 126 126 GLU CA C 749 57.789 55.879 1.910 1
1 1312 . 8 1 1 A 126 126 GLU HA H 749 4.156 5.000 -0.844 1
1 1313 . 8 1 1 A 126 126 GLU CB C 749 25.906 31.865 -5.959 1
1 1318 . 8 1 1 A 127 127 LYS N N 750 116.557 120.883 -4.326 1
1 1319 . 8 1 1 A 127 127 LYS H H 750 8.538 8.050 0.488 1
1 1320 . 8 1 1 A 127 127 LYS CA C 750 56.417 59.024 -2.607 1
1 1321 . 8 1 1 A 127 127 LYS HA H 750 4.344 4.035 0.309 1
1 1322 . 8 1 1 A 127 127 LYS CB C 750 33.029 32.165 0.864 1
1 1332 . 8 1 1 A 128 128 LEU N N 751 119.986 122.158 -2.172 1
1 1333 . 8 1 1 A 128 128 LEU H H 751 6.949 7.709 -0.760 1
1 1334 . 8 1 1 A 128 128 LEU CA C 751 53.476 58.638 -5.162 1
1 1335 . 8 1 1 A 128 128 LEU HA H 751 4.532 4.121 0.411 1
1 1336 . 8 1 1 A 128 128 LEU CB C 751 45.503 42.180 3.323 1
1 1349 . 8 1 1 A 129 129 SER N N 752 118.455 111.695 6.760 1
1 1350 . 8 1 1 A 129 129 SER H H 752 8.225 8.049 0.176 1
1 1351 . 8 1 1 A 129 129 SER CA C 752 56.129 59.431 -3.302 1
1 1352 . 8 1 1 A 129 129 SER HA H 752 4.434 4.694 -0.260 1
1 1353 . 8 1 1 A 129 129 SER CB C 752 63.911 65.546 -1.635 1
1 1356 . 8 1 1 A 130 130 PRO CA C 753 61.355 61.877 -0.522 1
1 1357 . 8 1 1 A 130 130 PRO HA H 753 5.026 4.638 0.388 1
1 1358 . 8 1 1 A 130 130 PRO CB C 753 32.831 32.894 -0.063 1
1 1366 . 8 1 1 A 131 131 PRO CA C 754 62.470 62.257 0.213 1
1 1367 . 8 1 1 A 131 131 PRO HA H 754 4.651 4.847 -0.196 1
1 1368 . 8 1 1 A 131 131 PRO CB C 754 32.403 32.810 -0.407 1
1 1377 . 8 1 1 A 132 132 TYR N N 755 121.321 121.822 -0.501 1
1 1378 . 8 1 1 A 132 132 TYR H H 755 9.635 8.639 0.996 1
1 1379 . 8 1 1 A 132 132 TYR CA C 755 60.382 57.737 2.645 1
1 1380 . 8 1 1 A 132 132 TYR HA H 755 4.433 5.282 -0.849 1
1 1381 . 8 1 1 A 132 132 TYR CB C 755 38.713 39.362 -0.649 1
1 1388 . 8 1 1 A 133 133 SER N N 756 114.917 114.439 0.478 1
1 1389 . 8 1 1 A 133 133 SER H H 756 9.343 8.027 1.316 1
1 1390 . 8 1 1 A 133 133 SER CA C 756 58.776 58.130 0.646 1
1 1391 . 8 1 1 A 133 133 SER HA H 756 4.430 4.660 -0.230 1
1 1392 . 8 1 1 A 133 133 SER CB C 756 64.839 65.258 -0.419 1
1 1394 . 8 1 1 A 134 134 SER N N 757 112.021 115.510 -3.489 1
1 1395 . 8 1 1 A 134 134 SER H H 757 7.500 7.213 0.287 1
1 1396 . 8 1 1 A 134 134 SER CA C 757 56.158 55.425 0.733 1
1 1397 . 8 1 1 A 134 134 SER HA H 757 4.950 4.592 0.358 1
1 1398 . 8 1 1 A 134 134 SER CB C 757 63.906 65.317 -1.411 1
1 1401 . 8 1 1 A 135 135 PRO CA C 758 64.159 64.897 -0.738 1
1 1402 . 8 1 1 A 135 135 PRO HA H 758 4.132 4.532 -0.400 1
1 1403 . 8 1 1 A 135 135 PRO CB C 758 31.649 32.233 -0.584 1
1 1412 . 8 1 1 A 136 136 GLN N N 759 116.382 117.693 -1.311 1
1 1413 . 8 1 1 A 136 136 GLN H H 759 8.067 8.160 -0.093 1
1 1414 . 8 1 1 A 136 136 GLN CA C 759 59.483 59.064 0.419 1
1 1415 . 8 1 1 A 136 136 GLN HA H 759 3.963 4.020 -0.057 1
1 1416 . 8 1 1 A 136 136 GLN CB C 759 27.414 27.753 -0.339 1
1 1425 . 8 1 1 A 137 137 GLU N N 760 121.764 119.976 1.788 1
1 1426 . 8 1 1 A 137 137 GLU H H 760 7.826 8.144 -0.318 1
1 1427 . 8 1 1 A 137 137 GLU CA C 760 59.184 59.611 -0.427 1
1 1428 . 8 1 1 A 137 137 GLU HA H 760 4.063 4.050 0.013 1
1 1429 . 8 1 1 A 137 137 GLU CB C 760 30.403 29.522 0.881 1
1 1435 . 8 1 1 A 138 138 PHE N N 761 120.582 120.158 0.424 1
1 1436 . 8 1 1 A 138 138 PHE H H 761 6.900 8.670 -1.770 1
1 1437 . 8 1 1 A 138 138 PHE CA C 761 60.105 61.221 -1.116 1
1 1438 . 8 1 1 A 138 138 PHE HA H 761 3.604 4.379 -0.775 1
1 1439 . 8 1 1 A 138 138 PHE CB C 761 38.271 39.014 -0.743 1
1 1448 . 8 1 1 A 139 139 ALA N N 762 120.917 121.610 -0.693 1
1 1449 . 8 1 1 A 139 139 ALA H H 762 8.399 8.341 0.058 1
1 1450 . 8 1 1 A 139 139 ALA CA C 762 54.940 55.150 -0.210 1
1 1451 . 8 1 1 A 139 139 ALA HA H 762 3.804 4.097 -0.293 1
1 1452 . 8 1 1 A 139 139 ALA CB C 762 18.001 18.312 -0.311 1
1 1456 . 8 1 1 A 140 140 GLN N N 763 119.041 117.304 1.737 1
1 1457 . 8 1 1 A 140 140 GLN H H 763 8.436 8.482 -0.046 1
1 1458 . 8 1 1 A 140 140 GLN CA C 763 58.474 58.754 -0.280 1
1 1459 . 8 1 1 A 140 140 GLN HA H 763 4.056 4.129 -0.073 1
1 1460 . 8 1 1 A 140 140 GLN CB C 763 28.345 28.275 0.070 1
1 1469 . 8 1 1 A 141 141 ASP N N 764 122.985 119.906 3.079 1
1 1470 . 8 1 1 A 141 141 ASP H H 764 7.694 7.575 0.119 1
1 1471 . 8 1 1 A 141 141 ASP CA C 764 57.087 57.136 -0.049 1
1 1472 . 8 1 1 A 141 141 ASP HA H 764 4.517 4.407 0.110 1
1 1473 . 8 1 1 A 141 141 ASP CB C 764 39.897 40.454 -0.557 1
1 1476 . 8 1 1 A 142 142 VAL N N 765 119.630 120.698 -1.068 1
1 1477 . 8 1 1 A 142 142 VAL H H 765 7.431 8.638 -1.207 1
1 1478 . 8 1 1 A 142 142 VAL CA C 765 66.489 65.835 0.654 1
1 1479 . 8 1 1 A 142 142 VAL HA H 765 2.740 3.233 -0.493 1
1 1480 . 8 1 1 A 142 142 VAL CB C 765 30.729 30.661 0.068 1
1 1490 . 8 1 1 A 143 143 GLY N N 766 104.089 107.179 -3.090 1
1 1491 . 8 1 1 A 143 143 GLY H H 766 8.089 8.188 -0.099 1
1 1492 . 8 1 1 A 143 143 GLY CA C 766 47.271 46.648 0.623 1
1 1493 . 8 1 1 A 143 143 GLY HA3 H 766 3.783 3.774 0.009 1
1 1494 . 8 1 1 A 143 143 GLY HA2 H 766 3.870 3.694 0.176 1
1 1495 . 8 1 1 A 144 144 ARG N N 767 123.406 122.351 1.055 1
1 1496 . 8 1 1 A 144 144 ARG H H 767 8.270 8.359 -0.089 1
1 1497 . 8 1 1 A 144 144 ARG CA C 767 59.627 59.359 0.268 1
1 1498 . 8 1 1 A 144 144 ARG HA H 767 4.026 4.068 -0.042 1
1 1499 . 8 1 1 A 144 144 ARG CB C 767 30.003 30.461 -0.458 1
1 1507 . 8 1 1 A 145 145 MET N N 768 121.310 119.058 2.252 1
1 1508 . 8 1 1 A 145 145 MET H H 768 8.053 8.885 -0.832 1
1 1509 . 8 1 1 A 145 145 MET CA C 768 58.727 59.046 -0.319 1
1 1510 . 8 1 1 A 145 145 MET HA H 768 3.932 4.056 -0.124 1
1 1511 . 8 1 1 A 145 145 MET CB C 768 31.536 31.764 -0.228 1
1 1521 . 8 1 1 A 146 146 PHE N N 769 117.125 118.142 -1.017 1
1 1522 . 8 1 1 A 146 146 PHE H H 769 8.005 8.577 -0.572 1
1 1523 . 8 1 1 A 146 146 PHE CA C 769 59.441 61.372 -1.931 1
1 1524 . 8 1 1 A 146 146 PHE HA H 769 4.582 4.323 0.259 1
1 1525 . 8 1 1 A 146 146 PHE CB C 769 37.558 38.653 -1.095 1
1 1534 . 8 1 1 A 147 147 LYS N N 770 119.226 119.720 -0.494 1
1 1535 . 8 1 1 A 147 147 LYS H H 770 8.078 8.241 -0.163 1
1 1536 . 8 1 1 A 147 147 LYS CA C 770 59.479 59.705 -0.226 1
1 1537 . 8 1 1 A 147 147 LYS HA H 770 4.153 3.949 0.204 1
1 1538 . 8 1 1 A 147 147 LYS CB C 770 32.336 32.122 0.214 1
1 1547 . 8 1 1 A 148 148 GLN N N 771 118.870 117.558 1.312 1
1 1548 . 8 1 1 A 148 148 GLN H H 771 8.338 8.546 -0.208 1
1 1549 . 8 1 1 A 148 148 GLN CA C 771 58.440 58.796 -0.356 1
1 1550 . 8 1 1 A 148 148 GLN HA H 771 4.140 4.143 -0.003 1
1 1551 . 8 1 1 A 148 148 GLN CB C 771 28.382 28.422 -0.040 1
1 1560 . 8 1 1 A 149 149 PHE N N 772 120.162 120.869 -0.707 1
1 1561 . 8 1 1 A 149 149 PHE H H 772 8.411 8.489 -0.078 1
1 1562 . 8 1 1 A 149 149 PHE CA C 772 60.460 61.413 -0.953 1
1 1563 . 8 1 1 A 149 149 PHE HA H 772 4.433 4.185 0.248 1
1 1564 . 8 1 1 A 149 149 PHE CB C 772 39.428 39.320 0.108 1
1 1573 . 8 1 1 A 150 150 ASN N N 773 117.836 116.738 1.098 1
1 1574 . 8 1 1 A 150 150 ASN H H 773 8.279 8.525 -0.246 1
1 1575 . 8 1 1 A 150 150 ASN HA H 773 4.375 4.354 0.021 1
1 1576 . 8 1 1 A 150 150 ASN CB C 773 38.977 38.678 0.299 1
1 1582 . 8 1 1 A 151 151 LYS N N 774 118.045 116.483 1.562 1
1 1583 . 8 1 1 A 151 151 LYS H H 774 7.648 8.082 -0.434 1
1 1584 . 8 1 1 A 151 151 LYS CA C 774 57.563 56.712 0.851 1
1 1585 . 8 1 1 A 151 151 LYS HA H 774 4.225 4.419 -0.194 1
1 1586 . 8 1 1 A 151 151 LYS CB C 774 32.333 33.052 -0.719 1
1 1595 . 8 1 1 A 152 152 LEU N N 775 119.031 118.518 0.513 1
1 1596 . 8 1 1 A 152 152 LEU H H 775 7.825 8.195 -0.370 1
1 1597 . 8 1 1 A 152 152 LEU CA C 775 55.990 56.942 -0.952 1
1 1598 . 8 1 1 A 152 152 LEU HA H 775 4.270 4.274 -0.004 1
1 1599 . 8 1 1 A 152 152 LEU CB C 775 42.487 41.898 0.589 1
1 1612 . 8 1 1 A 153 153 THR N N 776 110.107 111.666 -1.559 1
1 1613 . 8 1 1 A 153 153 THR H H 776 7.525 9.697 -2.172 1
1 1614 . 8 1 1 A 153 153 THR CA C 776 61.535 65.516 -3.981 1
1 1615 . 8 1 1 A 153 153 THR HA H 776 4.332 4.327 0.005 1
1 1616 . 8 1 1 A 153 153 THR CB C 776 69.570 67.972 1.598 1
1 1622 . 8 1 1 A 154 154 GLU N N 777 122.427 121.474 0.953 1
1 1623 . 8 1 1 A 154 154 GLU H H 777 8.027 8.147 -0.120 1
1 1624 . 8 1 1 A 154 154 GLU CA C 777 57.720 57.859 -0.139 1
1 1625 . 8 1 1 A 154 154 GLU HA H 777 4.216 4.167 0.049 1
1 1626 . 8 1 1 A 154 154 GLU CB C 777 29.977 27.872 2.105 1
1 1631 . 8 1 1 A 155 155 ASP N N 778 119.283 118.857 0.426 1
1 1632 . 8 1 1 A 155 155 ASP H H 778 8.372 8.612 -0.240 1
1 1633 . 8 1 1 A 155 155 ASP CA C 778 54.709 55.028 -0.319 1
1 1634 . 8 1 1 A 155 155 ASP HA H 778 4.602 4.685 -0.083 1
1 1635 . 8 1 1 A 155 155 ASP CB C 778 40.600 41.700 -1.100 1
1 1638 . 8 1 1 A 156 156 LYS N N 779 120.684 117.710 2.974 1
1 1639 . 8 1 1 A 156 156 LYS H H 779 8.068 7.572 0.496 1
1 1640 . 8 1 1 A 156 156 LYS CA C 779 56.388 55.371 1.017 1
1 1641 . 8 1 1 A 156 156 LYS HA H 779 4.333 4.424 -0.091 1
1 1642 . 8 1 1 A 156 156 LYS CB C 779 32.814 33.614 -0.800 1
1 1651 . 8 1 1 A 157 157 ALA N N 780 123.182 123.533 -0.351 1
1 1652 . 8 1 1 A 157 157 ALA H H 780 8.197 8.162 0.035 1
1 1653 . 8 1 1 A 157 157 ALA CA C 780 52.591 52.358 0.233 1
1 1654 . 8 1 1 A 157 157 ALA HA H 780 4.337 4.148 0.189 1
1 1655 . 8 1 1 A 157 157 ALA CB C 780 19.186 19.288 -0.102 1
1 1659 . 8 1 1 A 158 158 ASP N N 781 118.794 116.745 2.049 1
1 1660 . 8 1 1 A 158 158 ASP H H 781 8.222 8.087 0.135 1
1 1661 . 8 1 1 A 158 158 ASP CA C 781 54.003 55.716 -1.713 1
1 1662 . 8 1 1 A 158 158 ASP HA H 781 4.673 4.952 -0.279 1
1 1663 . 8 1 1 A 158 158 ASP CB C 781 41.075 40.541 0.534 1
1 1666 . 8 1 1 A 159 159 VAL N N 782 120.713 117.943 2.770 1
1 1667 . 8 1 1 A 159 159 VAL H H 782 8.039 8.166 -0.127 1
1 1668 . 8 1 1 A 159 159 VAL CA C 782 63.898 65.311 -1.413 1
1 1669 . 8 1 1 A 159 159 VAL HA H 782 4.028 3.893 0.135 1
1 1670 . 8 1 1 A 159 159 VAL CB C 782 32.181 32.346 -0.165 1
1 1680 . 8 1 1 A 160 160 GLN N N 783 120.756 121.158 -0.402 1
1 1681 . 8 1 1 A 160 160 GLN H H 783 8.370 8.507 -0.137 1
1 1682 . 8 1 1 A 160 160 GLN CA C 783 57.563 58.455 -0.892 1
1 1683 . 8 1 1 A 160 160 GLN HA H 783 4.219 3.987 0.232 1
1 1684 . 8 1 1 A 160 160 GLN CB C 783 28.410 28.230 0.180 1
1 1691 . 8 1 1 A 161 161 SER N N 784 116.111 114.824 1.287 1
1 1692 . 8 1 1 A 161 161 SER H H 784 8.190 7.935 0.255 1
1 1693 . 8 1 1 A 161 161 SER CA C 784 60.089 61.155 -1.066 1
1 1694 . 8 1 1 A 161 161 SER HA H 784 4.361 4.276 0.085 1
1 1695 . 8 1 1 A 161 161 SER CB C 784 62.955 62.947 0.008 1
1 1698 . 8 1 1 A 162 162 ILE N N 785 122.105 122.474 -0.369 1
1 1699 . 8 1 1 A 162 162 ILE H H 785 8.014 7.838 0.176 1
1 1700 . 8 1 1 A 162 162 ILE CA C 785 62.963 64.285 -1.322 1
1 1701 . 8 1 1 A 162 162 ILE HA H 785 3.986 3.519 0.467 1
1 1702 . 8 1 1 A 162 162 ILE CB C 785 37.568 37.481 0.087 1
1 1715 . 8 1 1 A 163 163 ILE N N 786 122.150 120.582 1.568 1
1 1716 . 8 1 1 A 163 163 ILE H H 786 7.913 8.731 -0.818 1
1 1717 . 8 1 1 A 163 163 ILE CA C 786 64.074 64.781 -0.707 1
1 1718 . 8 1 1 A 163 163 ILE HA H 786 3.947 3.579 0.368 1
1 1719 . 8 1 1 A 163 163 ILE CB C 786 37.561 37.398 0.163 1
1 1732 . 8 1 1 A 164 164 GLY N N 787 107.177 108.540 -1.363 1
1 1733 . 8 1 1 A 164 164 GLY H H 787 8.057 7.868 0.189 1
1 1734 . 8 1 1 A 164 164 GLY CA C 787 46.938 47.241 -0.303 1
1 1735 . 8 1 1 A 164 164 GLY HA3 H 787 3.907 3.697 0.210 1
1 1736 . 8 1 1 A 164 164 GLY HA2 H 787 4.007 3.654 0.353 1
1 1737 . 8 1 1 A 165 165 LEU N N 788 123.590 122.056 1.534 1
1 1738 . 8 1 1 A 165 165 LEU H H 788 7.676 7.791 -0.115 1
1 1739 . 8 1 1 A 165 165 LEU CA C 788 57.738 58.002 -0.264 1
1 1740 . 8 1 1 A 165 165 LEU HA H 788 4.052 3.925 0.127 1
1 1741 . 8 1 1 A 165 165 LEU CB C 788 40.833 41.507 -0.674 1
1 1753 . 8 1 1 A 166 166 GLN N N 789 119.114 116.241 2.873 1
1 1754 . 8 1 1 A 166 166 GLN H H 789 7.956 8.232 -0.276 1
1 1755 . 8 1 1 A 166 166 GLN CA C 789 59.445 59.155 0.290 1
1 1756 . 8 1 1 A 166 166 GLN HA H 789 3.844 3.823 0.021 1
1 1757 . 8 1 1 A 166 166 GLN CB C 789 27.826 28.158 -0.332 1
1 1765 . 8 1 1 A 167 167 ARG N N 790 118.851 118.959 -0.108 1
1 1766 . 8 1 1 A 167 167 ARG H H 790 8.387 8.287 0.100 1
1 1767 . 8 1 1 A 167 167 ARG CA C 790 58.942 59.233 -0.291 1
1 1768 . 8 1 1 A 167 167 ARG HA H 790 4.191 4.104 0.087 1
1 1769 . 8 1 1 A 167 167 ARG CB C 790 29.829 30.485 -0.656 1
1 1776 . 8 1 1 A 168 168 PHE N N 791 122.408 120.563 1.845 1
1 1777 . 8 1 1 A 168 168 PHE H H 791 8.127 8.097 0.030 1
1 1778 . 8 1 1 A 168 168 PHE CA C 791 61.976 61.689 0.287 1
1 1779 . 8 1 1 A 168 168 PHE HA H 791 4.164 4.356 -0.192 1
1 1780 . 8 1 1 A 168 168 PHE CB C 791 38.894 39.711 -0.817 1
1 1788 . 8 1 1 A 169 169 PHE N N 792 119.223 120.984 -1.761 1
1 1789 . 8 1 1 A 169 169 PHE H H 792 8.500 9.323 -0.823 1
1 1790 . 8 1 1 A 169 169 PHE CA C 792 61.093 62.171 -1.078 1
1 1791 . 8 1 1 A 169 169 PHE HA H 792 4.053 4.443 -0.390 1
1 1792 . 8 1 1 A 169 169 PHE CB C 792 39.182 39.792 -0.610 1
1 1800 . 8 1 1 A 170 170 GLU N N 793 119.089 118.172 0.917 1
1 1801 . 8 1 1 A 170 170 GLU H H 793 8.718 8.359 0.359 1
1 1802 . 8 1 1 A 170 170 GLU CA C 793 59.843 59.336 0.507 1
1 1803 . 8 1 1 A 170 170 GLU HA H 793 3.483 3.605 -0.122 1
1 1804 . 8 1 1 A 170 170 GLU CB C 793 29.372 29.443 -0.071 1
1 1810 . 8 1 1 A 171 171 THR N N 794 115.081 116.656 -1.575 1
1 1811 . 8 1 1 A 171 171 THR H H 794 8.205 7.726 0.479 1
1 1812 . 8 1 1 A 171 171 THR CA C 794 66.661 65.822 0.839 1
1 1813 . 8 1 1 A 171 171 THR HA H 794 3.935 4.048 -0.113 1
1 1814 . 8 1 1 A 171 171 THR CB C 794 68.604 69.231 -0.627 1
1 1820 . 8 1 1 A 172 172 ARG N N 795 120.165 120.424 -0.259 1
1 1821 . 8 1 1 A 172 172 ARG H H 795 7.776 7.825 -0.049 1
1 1822 . 8 1 1 A 172 172 ARG CA C 795 57.535 58.962 -1.427 1
1 1823 . 8 1 1 A 172 172 ARG HA H 795 4.030 4.190 -0.160 1
1 1824 . 8 1 1 A 172 172 ARG CB C 795 29.886 29.758 0.128 1
1 1828 . 8 1 1 A 173 173 MET N N 796 120.347 119.384 0.963 1
1 1829 . 8 1 1 A 173 173 MET H H 796 8.503 8.055 0.448 1
1 1830 . 8 1 1 A 173 173 MET CA C 796 57.453 57.882 -0.429 1
1 1831 . 8 1 1 A 173 173 MET HA H 796 4.383 4.059 0.324 1
1 1832 . 8 1 1 A 173 173 MET CB C 796 30.469 31.849 -1.380 1
1 1840 . 8 1 1 A 174 174 ASN N N 797 119.200 117.743 1.457 1
1 1841 . 8 1 1 A 174 174 ASN H H 797 8.351 8.160 0.191 1
1 1842 . 8 1 1 A 174 174 ASN CA C 797 55.851 56.579 -0.728 1
1 1843 . 8 1 1 A 174 174 ASN HA H 797 4.510 4.334 0.176 1
1 1844 . 8 1 1 A 174 174 ASN CB C 797 38.213 38.744 -0.531 1
1 1850 . 8 1 1 A 175 175 GLU N N 798 119.589 118.921 0.668 1
1 1851 . 8 1 1 A 175 175 GLU H H 798 7.896 8.438 -0.542 1
1 1852 . 8 1 1 A 175 175 GLU CA C 798 59.033 59.119 -0.086 1
1 1853 . 8 1 1 A 175 175 GLU HA H 798 3.967 4.119 -0.152 1
1 1854 . 8 1 1 A 175 175 GLU CB C 798 29.296 29.530 -0.234 1
1 1860 . 8 1 1 A 176 176 ALA N N 799 116.937 122.357 -5.420 1
1 1861 . 8 1 1 A 176 176 ALA H H 799 8.030 8.202 -0.172 1
1 1862 . 8 1 1 A 176 176 ALA CA C 799 54.179 55.127 -0.948 1
1 1863 . 8 1 1 A 176 176 ALA HA H 799 4.085 4.166 -0.081 1
1 1864 . 8 1 1 A 176 176 ALA CB C 799 19.432 18.762 0.670 1
1 1868 . 8 1 1 A 177 177 PHE N N 800 112.840 115.948 -3.108 1
1 1869 . 8 1 1 A 177 177 PHE H H 800 8.544 8.168 0.376 1
1 1870 . 8 1 1 A 177 177 PHE CA C 800 59.182 60.196 -1.014 1
1 1871 . 8 1 1 A 177 177 PHE HA H 800 4.515 4.308 0.207 1
1 1872 . 8 1 1 A 177 177 PHE CB C 800 39.642 37.818 1.824 1
1 1881 . 8 1 1 A 178 178 GLY N N 801 110.339 107.064 3.275 1
1 1882 . 8 1 1 A 178 178 GLY H H 801 7.974 8.133 -0.159 1
1 1883 . 8 1 1 A 178 178 GLY CA C 801 45.607 46.616 -1.009 1
1 1884 . 8 1 1 A 178 178 GLY HA3 H 801 3.988 3.818 0.170 1
1 1885 . 8 1 1 A 178 178 GLY HA2 H 801 4.031 3.808 0.223 1
1 1886 . 8 1 1 A 179 179 ASP N N 802 119.627 116.542 3.085 1
1 1887 . 8 1 1 A 179 179 ASP H H 802 8.185 7.719 0.466 1
1 1888 . 8 1 1 A 179 179 ASP CA C 802 53.949 55.580 -1.631 1
1 1889 . 8 1 1 A 179 179 ASP HA H 802 4.679 4.971 -0.292 1
1 1890 . 8 1 1 A 179 179 ASP CB C 802 41.070 43.154 -2.084 1
1 1892 . 8 1 1 A 180 180 THR N N 803 113.769 111.226 2.543 1
1 1893 . 8 1 1 A 180 180 THR H H 803 8.037 7.498 0.539 1
1 1894 . 8 1 1 A 180 180 THR CA C 803 61.885 61.758 0.127 1
1 1895 . 8 1 1 A 180 180 THR HA H 803 4.331 4.677 -0.346 1
1 1896 . 8 1 1 A 180 180 THR CB C 803 70.002 71.793 -1.791 1
1 1902 . 8 1 1 A 181 181 LYS N N 804 122.277 128.064 -5.787 1
1 1903 . 8 1 1 A 181 181 LYS H H 804 8.198 9.090 -0.892 1
1 1904 . 8 1 1 A 181 181 LYS CA C 804 56.652 58.084 -1.432 1
1 1905 . 8 1 1 A 181 181 LYS HA H 804 4.151 4.299 -0.148 1
1 1906 . 8 1 1 A 181 181 LYS CB C 804 32.377 31.813 0.564 1
1 1914 . 8 1 1 A 182 182 PHE N N 805 119.784 118.050 1.734 1
1 1915 . 8 1 1 A 182 182 PHE H H 805 8.206 7.826 0.380 1
1 1916 . 8 1 1 A 182 182 PHE CA C 805 57.256 60.281 -3.025 1
1 1917 . 8 1 1 A 182 182 PHE HA H 805 4.664 4.432 0.232 1
1 1918 . 8 1 1 A 182 182 PHE CB C 805 38.774 38.749 0.025 1
1 1927 . 8 1 1 A 183 183 SER N N 806 123.742 111.611 12.131 1
1 1928 . 8 1 1 A 183 183 SER H H 806 8.121 7.529 0.592 1
1 1929 . 8 1 1 A 183 183 SER CA C 806 58.203 57.373 0.830 1
1 1930 . 8 1 1 A 183 183 SER HA H 806 4.361 4.920 -0.559 1
1 1931 . 8 1 1 A 183 183 SER CB C 806 63.764 65.691 -1.927 1
1 1934 . 8 1 1 A 184 184 ALA N N 807 125.704 129.769 -4.065 1
1 1935 . 8 1 1 A 184 184 ALA H H 807 8.286 8.806 -0.520 1
1 1936 . 8 1 1 A 184 184 ALA CA C 807 52.574 53.063 -0.489 1
1 1937 . 8 1 1 A 184 184 ALA HA H 807 4.360 4.378 -0.018 1
1 1938 . 8 1 1 A 184 184 ALA CB C 807 18.947 18.952 -0.005 1
1 1942 . 8 1 1 A 185 185 VAL N N 808 118.271 125.024 -6.753 1
1 1943 . 8 1 1 A 185 185 VAL H H 808 7.958 8.742 -0.784 1
1 1944 . 8 1 1 A 185 185 VAL CA C 808 62.216 61.095 1.121 1
1 1945 . 8 1 1 A 185 185 VAL HA H 808 4.151 4.446 -0.295 1
1 1946 . 8 1 1 A 185 185 VAL CB C 808 32.178 32.978 -0.800 1
1 1952 . 8 1 1 A 186 186 LEU N N 809 125.280 119.105 6.175 1
1 1953 . 8 1 1 A 186 186 LEU H H 809 8.195 8.191 0.004 1
1 1954 . 8 1 1 A 186 186 LEU CA C 809 54.474 56.187 -1.713 1
1 1955 . 8 1 1 A 186 186 LEU HA H 809 4.430 4.044 0.386 1
1 1956 . 8 1 1 A 186 186 LEU CB C 809 42.303 39.685 2.618 1
1 1968 . 8 1 1 A 187 187 VAL N N 810 120.937 116.585 4.352 1
1 1969 . 8 1 1 A 187 187 VAL H H 810 7.985 8.006 -0.021 1
1 1970 . 8 1 1 A 187 187 VAL CA C 810 62.004 62.628 -0.624 1
1 1971 . 8 1 1 A 187 187 VAL HA H 810 4.155 4.152 0.003 1
1 1972 . 8 1 1 A 187 187 VAL CB C 810 32.602 31.625 0.977 1
1 1979 . 8 1 1 A 188 188 GLU N N 811 126.353 123.868 2.485 1
1 1980 . 8 1 1 A 188 188 GLU H H 811 8.292 7.514 0.778 1
1 1981 . 8 1 1 A 188 188 GLU CA C 811 54.162 55.099 -0.937 1
1 1982 . 8 1 1 A 188 188 GLU HA H 811 4.609 4.472 0.137 1
1 1983 . 8 1 1 A 188 188 GLU CB C 811 29.775 29.229 0.546 1
1 1 . 9 1 1 A 2 2 ALA CA C 625 52.969 51.364 1.605 1
1 2 . 9 1 1 A 2 2 ALA HA H 625 4.493 4.590 -0.097 1
1 3 . 9 1 1 A 2 2 ALA CB C 625 19.272 20.269 -0.997 1
1 7 . 9 1 1 A 3 3 THR N N 626 113.570 108.229 5.341 1
1 8 . 9 1 1 A 3 3 THR H H 626 8.176 8.136 0.040 1
1 9 . 9 1 1 A 3 3 THR CA C 626 61.314 65.255 -3.941 1
1 10 . 9 1 1 A 3 3 THR HA H 626 4.298 3.951 0.347 1
1 11 . 9 1 1 A 3 3 THR CB C 626 69.270 67.178 2.092 1
1 17 . 9 1 1 A 4 4 ILE N N 627 115.272 119.893 -4.621 1
1 18 . 9 1 1 A 4 4 ILE H H 627 7.549 8.597 -1.048 1
1 19 . 9 1 1 A 4 4 ILE CA C 627 58.731 61.764 -3.033 1
1 20 . 9 1 1 A 4 4 ILE HA H 627 4.258 4.619 -0.361 1
1 21 . 9 1 1 A 4 4 ILE CB C 627 42.246 35.813 6.433 1
1 34 . 9 1 1 A 5 5 CYS N N 628 124.095 125.181 -1.086 1
1 35 . 9 1 1 A 5 5 CYS H H 628 7.766 8.628 -0.862 1
1 36 . 9 1 1 A 5 5 CYS CA C 628 57.978 57.719 0.259 1
1 37 . 9 1 1 A 5 5 CYS HA H 628 3.781 4.762 -0.981 1
1 38 . 9 1 1 A 5 5 CYS CB C 628 31.436 26.120 5.316 1
1 41 . 9 1 1 A 6 6 ARG N N 629 129.928 126.425 3.503 1
1 42 . 9 1 1 A 6 6 ARG H H 629 9.040 8.722 0.318 1
1 43 . 9 1 1 A 6 6 ARG CA C 629 57.514 58.798 -1.284 1
1 44 . 9 1 1 A 6 6 ARG HA H 629 3.900 3.914 -0.014 1
1 45 . 9 1 1 A 6 6 ARG CB C 629 30.251 29.636 0.615 1
1 54 . 9 1 1 A 7 7 VAL N N 630 118.166 117.667 0.499 1
1 55 . 9 1 1 A 7 7 VAL H H 630 8.734 7.458 1.276 1
1 56 . 9 1 1 A 7 7 VAL CA C 630 65.770 65.424 0.346 1
1 57 . 9 1 1 A 7 7 VAL HA H 630 4.137 4.199 -0.062 1
1 58 . 9 1 1 A 7 7 VAL CB C 630 33.079 31.083 1.996 1
1 68 . 9 1 1 A 8 8 CYS N N 631 116.148 118.903 -2.755 1
1 69 . 9 1 1 A 8 8 CYS H H 631 8.143 8.219 -0.076 1
1 70 . 9 1 1 A 8 8 CYS CA C 631 59.154 63.158 -4.004 1
1 71 . 9 1 1 A 8 8 CYS HA H 631 5.105 4.461 0.644 1
1 72 . 9 1 1 A 8 8 CYS CB C 631 31.184 27.866 3.318 1
1 75 . 9 1 1 A 9 9 GLN N N 632 115.248 116.654 -1.406 1
1 76 . 9 1 1 A 9 9 GLN H H 632 8.132 8.882 -0.750 1
1 77 . 9 1 1 A 9 9 GLN CA C 632 57.404 57.261 0.143 1
1 78 . 9 1 1 A 9 9 GLN HA H 632 4.068 3.938 0.130 1
1 79 . 9 1 1 A 9 9 GLN CB C 632 26.002 25.868 0.134 1
1 88 . 9 1 1 A 10 10 LYS N N 633 118.420 119.044 -0.624 1
1 89 . 9 1 1 A 10 10 LYS H H 633 8.091 7.806 0.285 1
1 90 . 9 1 1 A 10 10 LYS CA C 633 53.835 52.771 1.064 1
1 91 . 9 1 1 A 10 10 LYS HA H 633 5.046 4.682 0.364 1
1 92 . 9 1 1 A 10 10 LYS CB C 633 33.312 33.310 0.002 1
1 102 . 9 1 1 A 11 11 PRO CA C 634 62.136 63.175 -1.039 1
1 103 . 9 1 1 A 11 11 PRO HA H 634 5.056 4.533 0.523 1
1 104 . 9 1 1 A 11 11 PRO CB C 634 33.061 32.538 0.523 1
1 112 . 9 1 1 A 12 12 GLY N N 635 106.958 107.674 -0.716 1
1 113 . 9 1 1 A 12 12 GLY H H 635 8.475 7.998 0.477 1
1 114 . 9 1 1 A 12 12 GLY CA C 635 45.303 45.453 -0.150 1
1 115 . 9 1 1 A 12 12 GLY HA3 H 635 3.812 4.293 -0.481 1
1 116 . 9 1 1 A 12 12 GLY HA2 H 635 4.438 4.227 0.211 1
1 117 . 9 1 1 A 13 13 ASP N N 636 124.001 121.958 2.043 1
1 118 . 9 1 1 A 13 13 ASP H H 636 8.729 8.496 0.233 1
1 119 . 9 1 1 A 13 13 ASP CA C 636 54.239 52.928 1.311 1
1 120 . 9 1 1 A 13 13 ASP HA H 636 4.656 4.714 -0.058 1
1 121 . 9 1 1 A 13 13 ASP CB C 636 39.425 38.728 0.697 1
1 124 . 9 1 1 A 14 14 LEU N N 637 121.435 122.486 -1.051 1
1 125 . 9 1 1 A 14 14 LEU H H 637 7.849 7.436 0.413 1
1 126 . 9 1 1 A 14 14 LEU CA C 637 53.306 54.751 -1.445 1
1 127 . 9 1 1 A 14 14 LEU HA H 637 4.546 4.325 0.221 1
1 128 . 9 1 1 A 14 14 LEU CB C 637 44.117 42.020 2.097 1
1 141 . 9 1 1 A 15 15 VAL N N 638 118.100 119.982 -1.882 1
1 142 . 9 1 1 A 15 15 VAL H H 638 8.703 8.492 0.211 1
1 143 . 9 1 1 A 15 15 VAL CA C 638 59.865 60.679 -0.814 1
1 144 . 9 1 1 A 15 15 VAL HA H 638 4.383 4.584 -0.201 1
1 145 . 9 1 1 A 15 15 VAL CB C 638 33.305 31.271 2.034 1
1 155 . 9 1 1 A 16 16 MET N N 639 125.271 127.066 -1.795 1
1 156 . 9 1 1 A 16 16 MET H H 639 8.519 8.882 -0.363 1
1 157 . 9 1 1 A 16 16 MET CA C 639 54.122 54.384 -0.262 1
1 158 . 9 1 1 A 16 16 MET HA H 639 5.210 4.844 0.366 1
1 159 . 9 1 1 A 16 16 MET CB C 639 36.310 32.572 3.738 1
1 169 . 9 1 1 A 17 17 CYS N N 640 129.455 125.181 4.274 1
1 170 . 9 1 1 A 17 17 CYS H H 640 9.139 9.045 0.094 1
1 171 . 9 1 1 A 17 17 CYS CA C 640 59.996 60.235 -0.239 1
1 172 . 9 1 1 A 17 17 CYS HA H 640 4.658 4.449 0.209 1
1 173 . 9 1 1 A 17 17 CYS CB C 640 31.238 28.301 2.937 1
1 176 . 9 1 1 A 18 18 ASN N N 641 128.271 127.510 0.761 1
1 177 . 9 1 1 A 18 18 ASN H H 641 8.914 9.278 -0.364 1
1 178 . 9 1 1 A 18 18 ASN CA C 641 55.658 54.490 1.168 1
1 179 . 9 1 1 A 18 18 ASN HA H 641 4.584 4.637 -0.053 1
1 180 . 9 1 1 A 18 18 ASN CB C 641 38.955 37.610 1.345 1
1 186 . 9 1 1 A 19 19 GLN N N 642 121.426 116.520 4.906 1
1 187 . 9 1 1 A 19 19 GLN H H 642 9.313 7.878 1.435 1
1 188 . 9 1 1 A 19 19 GLN CA C 642 57.971 56.268 1.703 1
1 189 . 9 1 1 A 19 19 GLN HA H 642 4.502 4.482 0.020 1
1 190 . 9 1 1 A 19 19 GLN CB C 642 30.466 31.443 -0.977 1
1 197 . 9 1 1 A 20 20 CYS N N 643 120.207 115.031 5.176 1
1 198 . 9 1 1 A 20 20 CYS H H 643 8.542 7.926 0.616 1
1 199 . 9 1 1 A 20 20 CYS CA C 643 59.473 57.879 1.594 1
1 200 . 9 1 1 A 20 20 CYS HA H 643 4.663 4.779 -0.116 1
1 201 . 9 1 1 A 20 20 CYS CB C 643 31.889 27.641 4.248 1
1 204 . 9 1 1 A 21 21 GLU N N 644 114.113 114.950 -0.837 1
1 205 . 9 1 1 A 21 21 GLU H H 644 7.441 7.754 -0.313 1
1 206 . 9 1 1 A 21 21 GLU CA C 644 57.994 57.889 0.105 1
1 207 . 9 1 1 A 21 21 GLU HA H 644 4.285 3.992 0.293 1
1 208 . 9 1 1 A 21 21 GLU CB C 644 26.843 27.486 -0.643 1
1 214 . 9 1 1 A 22 22 PHE N N 645 120.911 119.606 1.305 1
1 215 . 9 1 1 A 22 22 PHE H H 645 8.941 8.109 0.832 1
1 216 . 9 1 1 A 22 22 PHE CA C 645 57.356 57.782 -0.426 1
1 217 . 9 1 1 A 22 22 PHE HA H 645 4.777 4.538 0.239 1
1 218 . 9 1 1 A 22 22 PHE CB C 645 38.709 38.550 0.159 1
1 226 . 9 1 1 A 23 23 CYS N N 646 115.830 124.363 -8.533 1
1 227 . 9 1 1 A 23 23 CYS H H 646 8.137 9.242 -1.105 1
1 228 . 9 1 1 A 23 23 CYS CA C 646 56.600 57.433 -0.833 1
1 229 . 9 1 1 A 23 23 CYS HA H 646 5.813 6.332 -0.519 1
1 230 . 9 1 1 A 23 23 CYS CB C 646 30.951 29.650 1.301 1
1 233 . 9 1 1 A 24 24 PHE N N 647 116.053 120.236 -4.183 1
1 234 . 9 1 1 A 24 24 PHE H H 647 9.011 8.714 0.297 1
1 235 . 9 1 1 A 24 24 PHE CA C 647 56.827 57.068 -0.241 1
1 236 . 9 1 1 A 24 24 PHE HA H 647 5.910 4.705 1.205 1
1 237 . 9 1 1 A 24 24 PHE CB C 647 44.608 43.282 1.326 1
1 246 . 9 1 1 A 25 25 HIS N N 648 120.957 121.117 -0.160 1
1 247 . 9 1 1 A 25 25 HIS H H 648 8.427 8.297 0.130 1
1 248 . 9 1 1 A 25 25 HIS CA C 648 58.971 56.519 2.452 1
1 249 . 9 1 1 A 25 25 HIS HA H 648 4.929 4.502 0.427 1
1 250 . 9 1 1 A 25 25 HIS CB C 648 31.178 29.431 1.747 1
1 257 . 9 1 1 A 26 26 LEU N N 649 123.176 126.311 -3.135 1
1 258 . 9 1 1 A 26 26 LEU H H 649 9.369 7.847 1.522 1
1 259 . 9 1 1 A 26 26 LEU CA C 649 59.646 58.428 1.218 1
1 260 . 9 1 1 A 26 26 LEU HA H 649 3.829 3.659 0.170 1
1 261 . 9 1 1 A 26 26 LEU CB C 649 39.426 41.976 -2.550 1
1 274 . 9 1 1 A 27 27 ASP N N 650 109.058 118.430 -9.372 1
1 275 . 9 1 1 A 27 27 ASP H H 650 8.326 8.410 -0.084 1
1 276 . 9 1 1 A 27 27 ASP CA C 650 53.998 58.047 -4.049 1
1 277 . 9 1 1 A 27 27 ASP HA H 650 4.739 4.305 0.434 1
1 278 . 9 1 1 A 27 27 ASP CB C 650 40.331 41.709 -1.378 1
1 280 . 9 1 1 A 28 28 CYS N N 651 117.495 117.277 0.218 1
1 281 . 9 1 1 A 28 28 CYS H H 651 7.480 8.742 -1.262 1
1 282 . 9 1 1 A 28 28 CYS CA C 651 61.534 63.559 -2.025 1
1 283 . 9 1 1 A 28 28 CYS HA H 651 4.245 4.139 0.106 1
1 284 . 9 1 1 A 28 28 CYS CB C 651 31.646 27.359 4.287 1
1 286 . 9 1 1 A 29 29 HIS N N 652 116.384 121.327 -4.943 1
1 287 . 9 1 1 A 29 29 HIS H H 652 6.894 8.063 -1.169 1
1 288 . 9 1 1 A 29 29 HIS CA C 652 59.713 57.234 2.479 1
1 289 . 9 1 1 A 29 29 HIS HA H 652 3.644 3.438 0.206 1
1 290 . 9 1 1 A 29 29 HIS CB C 652 27.909 30.424 -2.515 1
1 296 . 9 1 1 A 30 30 LEU N N 653 121.110 126.682 -5.572 1
1 297 . 9 1 1 A 30 30 LEU H H 653 4.525 8.066 -3.541 1
1 298 . 9 1 1 A 30 30 LEU CA C 653 51.439 59.660 -8.221 1
1 299 . 9 1 1 A 30 30 LEU HA H 653 4.515 3.500 1.015 1
1 300 . 9 1 1 A 30 30 LEU CB C 653 46.001 40.581 5.420 1
1 312 . 9 1 1 A 31 31 PRO CA C 654 62.964 63.434 -0.470 1
1 313 . 9 1 1 A 31 31 PRO HA H 654 4.471 4.424 0.047 1
1 314 . 9 1 1 A 31 31 PRO CB C 654 34.045 32.404 1.641 1
1 322 . 9 1 1 A 32 32 ALA N N 655 125.871 119.846 6.025 1
1 323 . 9 1 1 A 32 32 ALA H H 655 8.766 8.011 0.755 1
1 324 . 9 1 1 A 32 32 ALA CA C 655 52.771 52.938 -0.167 1
1 325 . 9 1 1 A 32 32 ALA HA H 655 4.349 4.944 -0.595 1
1 326 . 9 1 1 A 32 32 ALA CB C 655 18.177 18.088 0.089 1
1 330 . 9 1 1 A 33 33 LEU N N 656 123.348 123.189 0.159 1
1 331 . 9 1 1 A 33 33 LEU H H 656 8.230 8.749 -0.519 1
1 332 . 9 1 1 A 33 33 LEU CA C 656 54.014 55.035 -1.021 1
1 333 . 9 1 1 A 33 33 LEU HA H 656 4.445 4.360 0.085 1
1 334 . 9 1 1 A 33 33 LEU CB C 656 43.197 42.797 0.400 1
1 347 . 9 1 1 A 34 34 GLN N N 657 119.992 119.855 0.137 1
1 348 . 9 1 1 A 34 34 GLN H H 657 8.679 8.857 -0.178 1
1 349 . 9 1 1 A 34 34 GLN CA C 657 56.354 56.046 0.308 1
1 350 . 9 1 1 A 34 34 GLN HA H 657 4.159 4.693 -0.534 1
1 351 . 9 1 1 A 34 34 GLN CB C 657 29.555 31.306 -1.751 1
1 359 . 9 1 1 A 35 35 ASP N N 658 115.420 114.806 0.614 1
1 360 . 9 1 1 A 35 35 ASP H H 658 7.457 7.475 -0.018 1
1 361 . 9 1 1 A 35 35 ASP CA C 658 51.696 53.948 -2.252 1
1 362 . 9 1 1 A 35 35 ASP HA H 658 4.626 4.779 -0.153 1
1 363 . 9 1 1 A 35 35 ASP CB C 658 43.431 43.211 0.220 1
1 366 . 9 1 1 A 36 36 VAL N N 659 122.099 120.863 1.236 1
1 367 . 9 1 1 A 36 36 VAL H H 659 8.624 8.458 0.166 1
1 368 . 9 1 1 A 36 36 VAL CA C 659 60.994 61.240 -0.246 1
1 369 . 9 1 1 A 36 36 VAL HA H 659 3.752 3.771 -0.019 1
1 370 . 9 1 1 A 36 36 VAL CB C 659 32.087 31.352 0.735 1
1 380 . 9 1 1 A 37 37 PRO CA C 660 62.728 63.733 -1.005 1
1 381 . 9 1 1 A 37 37 PRO HA H 660 4.454 4.426 0.028 1
1 382 . 9 1 1 A 37 37 PRO CB C 660 32.835 31.756 1.079 1
1 391 . 9 1 1 A 38 38 GLY N N 661 106.940 107.939 -0.999 1
1 392 . 9 1 1 A 38 38 GLY H H 661 8.189 8.336 -0.147 1
1 393 . 9 1 1 A 38 38 GLY CA C 661 44.397 46.756 -2.359 1
1 394 . 9 1 1 A 38 38 GLY HA3 H 661 3.969 3.978 -0.009 1
1 395 . 9 1 1 A 38 38 GLY HA2 H 661 4.190 3.929 0.261 1
1 396 . 9 1 1 A 39 39 GLU N N 662 117.365 120.632 -3.267 1
1 397 . 9 1 1 A 39 39 GLU H H 662 8.281 7.938 0.343 1
1 398 . 9 1 1 A 39 39 GLU CA C 662 57.520 59.089 -1.569 1
1 399 . 9 1 1 A 39 39 GLU HA H 662 4.281 4.116 0.165 1
1 400 . 9 1 1 A 39 39 GLU CB C 662 30.013 30.147 -0.134 1
1 405 . 9 1 1 A 40 40 GLU N N 663 117.986 114.386 3.600 1
1 406 . 9 1 1 A 40 40 GLU H H 663 8.697 8.160 0.537 1
1 407 . 9 1 1 A 40 40 GLU CA C 663 56.389 56.093 0.296 1
1 408 . 9 1 1 A 40 40 GLU HA H 663 4.293 4.617 -0.324 1
1 409 . 9 1 1 A 40 40 GLU CB C 663 28.787 31.285 -2.498 1
1 414 . 9 1 1 A 41 41 TRP N N 664 124.391 124.511 -0.120 1
1 415 . 9 1 1 A 41 41 TRP H H 664 7.967 8.363 -0.396 1
1 416 . 9 1 1 A 41 41 TRP CA C 664 59.934 58.026 1.908 1
1 417 . 9 1 1 A 41 41 TRP HA H 664 4.312 4.838 -0.526 1
1 418 . 9 1 1 A 41 41 TRP CB C 664 29.998 30.365 -0.367 1
1 432 . 9 1 1 A 42 42 SER N N 665 120.355 116.894 3.461 1
1 433 . 9 1 1 A 42 42 SER H H 665 6.873 8.083 -1.210 1
1 434 . 9 1 1 A 42 42 SER CA C 665 55.166 57.009 -1.843 1
1 435 . 9 1 1 A 42 42 SER HA H 665 5.259 4.870 0.389 1
1 436 . 9 1 1 A 42 42 SER CB C 665 65.990 63.227 2.763 1
1 439 . 9 1 1 A 43 43 CYS N N 666 125.642 123.753 1.889 1
1 440 . 9 1 1 A 43 43 CYS H H 666 9.271 8.058 1.213 1
1 441 . 9 1 1 A 43 43 CYS CA C 666 57.325 59.056 -1.731 1
1 442 . 9 1 1 A 43 43 CYS HA H 666 3.952 2.583 1.369 1
1 443 . 9 1 1 A 43 43 CYS CB C 666 34.022 27.546 6.476 1
1 446 . 9 1 1 A 44 44 SER N N 667 117.158 119.137 -1.979 1
1 447 . 9 1 1 A 44 44 SER H H 667 7.068 8.316 -1.248 1
1 448 . 9 1 1 A 44 44 SER CA C 667 61.353 61.838 -0.485 1
1 449 . 9 1 1 A 44 44 SER HA H 667 4.225 4.026 0.199 1
1 450 . 9 1 1 A 44 44 SER CB C 667 63.693 63.094 0.599 1
1 453 . 9 1 1 A 45 45 LEU N N 668 120.667 119.701 0.966 1
1 454 . 9 1 1 A 45 45 LEU H H 668 8.965 7.906 1.059 1
1 455 . 9 1 1 A 45 45 LEU CA C 668 57.416 56.294 1.122 1
1 456 . 9 1 1 A 45 45 LEU HA H 668 4.178 4.256 -0.078 1
1 457 . 9 1 1 A 45 45 LEU CB C 668 40.611 41.549 -0.938 1
1 470 . 9 1 1 A 46 46 CYS N N 669 121.872 117.605 4.267 1
1 471 . 9 1 1 A 46 46 CYS H H 669 7.816 8.265 -0.449 1
1 472 . 9 1 1 A 46 46 CYS CA C 669 62.557 59.561 2.996 1
1 473 . 9 1 1 A 46 46 CYS HA H 669 3.969 4.783 -0.814 1
1 474 . 9 1 1 A 46 46 CYS CB C 669 30.467 30.186 0.281 1
1 477 . 9 1 1 A 47 47 HIS N N 670 119.396 120.039 -0.643 1
1 478 . 9 1 1 A 47 47 HIS H H 670 8.077 7.782 0.295 1
1 479 . 9 1 1 A 47 47 HIS CA C 670 55.625 57.981 -2.356 1
1 480 . 9 1 1 A 47 47 HIS HA H 670 4.429 4.430 -0.001 1
1 481 . 9 1 1 A 47 47 HIS CB C 670 30.326 31.551 -1.225 1
1 488 . 9 1 1 A 48 48 VAL N N 671 123.528 117.797 5.731 1
1 489 . 9 1 1 A 48 48 VAL H H 671 7.978 7.783 0.195 1
1 490 . 9 1 1 A 48 48 VAL CA C 671 62.120 64.160 -2.040 1
1 491 . 9 1 1 A 48 48 VAL HA H 671 3.925 4.045 -0.120 1
1 492 . 9 1 1 A 48 48 VAL CB C 671 32.396 31.142 1.254 1
1 502 . 9 1 1 A 49 49 LEU N N 672 126.622 126.160 0.462 1
1 503 . 9 1 1 A 49 49 LEU H H 672 8.139 8.600 -0.461 1
1 504 . 9 1 1 A 49 49 LEU CA C 672 52.859 54.038 -1.179 1
1 505 . 9 1 1 A 49 49 LEU HA H 672 4.475 4.271 0.204 1
1 506 . 9 1 1 A 49 49 LEU CB C 672 41.536 41.675 -0.139 1
1 518 . 9 1 1 A 50 50 PRO CA C 673 62.715 65.161 -2.446 1
1 519 . 9 1 1 A 50 50 PRO HA H 673 4.386 4.360 0.026 1
1 520 . 9 1 1 A 50 50 PRO CB C 673 32.093 32.017 0.076 1
1 528 . 9 1 1 A 51 51 ASP N N 674 120.540 118.239 2.301 1
1 529 . 9 1 1 A 51 51 ASP H H 674 8.307 8.186 0.121 1
1 530 . 9 1 1 A 51 51 ASP CA C 674 54.202 55.627 -1.425 1
1 531 . 9 1 1 A 51 51 ASP HA H 674 4.564 4.391 0.173 1
1 532 . 9 1 1 A 51 51 ASP CB C 674 41.030 40.158 0.872 1
1 535 . 9 1 1 A 52 52 LEU N N 675 122.987 115.202 7.785 1
1 536 . 9 1 1 A 52 52 LEU H H 675 8.053 8.320 -0.267 1
1 537 . 9 1 1 A 52 52 LEU CA C 675 54.945 55.644 -0.699 1
1 538 . 9 1 1 A 52 52 LEU HA H 675 4.364 4.027 0.337 1
1 539 . 9 1 1 A 52 52 LEU CB C 675 42.436 40.815 1.621 1
1 551 . 9 1 1 A 53 53 LYS N N 676 122.061 124.473 -2.412 1
1 552 . 9 1 1 A 53 53 LYS H H 676 8.340 8.249 0.091 1
1 553 . 9 1 1 A 53 53 LYS CA C 676 56.060 60.089 -4.029 1
1 554 . 9 1 1 A 53 53 LYS HA H 676 4.331 3.988 0.343 1
1 555 . 9 1 1 A 53 53 LYS CB C 676 32.363 32.326 0.037 1
1 564 . 9 1 1 A 54 54 GLU N N 677 121.909 115.987 5.922 1
1 565 . 9 1 1 A 54 54 GLU H H 677 8.403 7.888 0.515 1
1 566 . 9 1 1 A 54 54 GLU CA C 677 56.586 57.515 -0.929 1
1 567 . 9 1 1 A 54 54 GLU HA H 677 4.312 3.953 0.359 1
1 568 . 9 1 1 A 54 54 GLU CB C 677 30.221 27.677 2.544 1
1 573 . 9 1 1 A 55 55 GLU N N 678 121.528 118.027 3.501 1
1 574 . 9 1 1 A 55 55 GLU H H 678 8.486 8.490 -0.004 1
1 575 . 9 1 1 A 55 55 GLU CA C 678 56.368 56.189 0.179 1
1 576 . 9 1 1 A 55 55 GLU HA H 678 4.315 4.475 -0.160 1
1 577 . 9 1 1 A 55 55 GLU CB C 678 28.896 29.544 -0.648 1
1 582 . 9 1 1 A 56 56 ASP N N 679 121.530 119.974 1.556 1
1 583 . 9 1 1 A 56 56 ASP H H 679 8.322 8.400 -0.078 1
1 584 . 9 1 1 A 56 56 ASP CA C 679 54.252 54.669 -0.417 1
1 585 . 9 1 1 A 56 56 ASP HA H 679 4.680 4.633 0.047 1
1 586 . 9 1 1 A 56 56 ASP CB C 679 41.146 40.978 0.168 1
1 588 . 9 1 1 A 57 57 GLY N N 680 109.997 108.527 1.470 1
1 589 . 9 1 1 A 57 57 GLY H H 680 8.412 8.640 -0.228 1
1 590 . 9 1 1 A 57 57 GLY CA C 680 45.247 45.669 -0.422 1
1 591 . 9 1 1 A 57 57 GLY HA2 H 680 4.020 3.969 0.051 1
1 592 . 9 1 1 A 58 58 SER N N 681 115.994 112.093 3.901 1
1 593 . 9 1 1 A 58 58 SER H H 681 8.280 7.831 0.449 1
1 594 . 9 1 1 A 58 58 SER CA C 681 58.239 57.453 0.786 1
1 595 . 9 1 1 A 58 58 SER HA H 681 3.996 4.615 -0.619 1
1 596 . 9 1 1 A 58 58 SER CB C 681 63.789 65.184 -1.395 1
1 598 . 9 1 1 A 59 59 LEU N N 682 123.362 122.127 1.235 1
1 599 . 9 1 1 A 59 59 LEU H H 682 8.164 8.128 0.036 1
1 600 . 9 1 1 A 59 59 LEU CA C 682 55.160 55.746 -0.586 1
1 601 . 9 1 1 A 59 59 LEU HA H 682 4.427 4.270 0.157 1
1 602 . 9 1 1 A 59 59 LEU CB C 682 42.473 40.909 1.564 1
1 614 . 9 1 1 A 60 60 SER N N 683 116.385 121.941 -5.556 1
1 615 . 9 1 1 A 60 60 SER H H 683 8.226 8.458 -0.232 1
1 616 . 9 1 1 A 60 60 SER CA C 683 58.004 59.497 -1.493 1
1 617 . 9 1 1 A 60 60 SER HA H 683 4.517 4.679 -0.162 1
1 618 . 9 1 1 A 60 60 SER CB C 683 63.651 65.481 -1.830 1
1 620 . 9 1 1 A 61 61 LEU N N 684 124.466 121.280 3.186 1
1 621 . 9 1 1 A 61 61 LEU H H 684 8.303 7.876 0.427 1
1 622 . 9 1 1 A 61 61 LEU CA C 684 54.959 54.021 0.938 1
1 623 . 9 1 1 A 61 61 LEU HA H 684 4.412 4.618 -0.206 1
1 624 . 9 1 1 A 61 61 LEU CB C 684 41.713 42.988 -1.275 1
1 635 . 9 1 1 A 62 62 ASP N N 685 120.536 120.511 0.025 1
1 636 . 9 1 1 A 62 62 ASP H H 685 8.267 8.138 0.129 1
1 637 . 9 1 1 A 62 62 ASP CA C 685 54.276 54.583 -0.307 1
1 638 . 9 1 1 A 62 62 ASP HA H 685 4.680 4.601 0.079 1
1 639 . 9 1 1 A 62 62 ASP CB C 685 41.125 40.058 1.067 1
1 642 . 9 1 1 A 63 63 GLY N N 686 109.373 111.534 -2.161 1
1 643 . 9 1 1 A 63 63 GLY H H 686 8.277 8.767 -0.490 1
1 644 . 9 1 1 A 63 63 GLY CA C 686 45.297 47.329 -2.032 1
1 645 . 9 1 1 A 63 63 GLY HA2 H 686 3.992 3.814 0.178 1
1 646 . 9 1 1 A 64 64 ALA N N 687 123.584 123.898 -0.314 1
1 647 . 9 1 1 A 64 64 ALA H H 687 8.129 7.723 0.406 1
1 648 . 9 1 1 A 64 64 ALA CA C 687 52.637 52.419 0.218 1
1 649 . 9 1 1 A 64 64 ALA HA H 687 4.379 4.153 0.226 1
1 650 . 9 1 1 A 64 64 ALA CB C 687 19.122 19.802 -0.680 1
1 654 . 9 1 1 A 65 65 ASP N N 688 118.924 121.207 -2.283 1
1 655 . 9 1 1 A 65 65 ASP H H 688 8.326 9.065 -0.739 1
1 656 . 9 1 1 A 65 65 ASP CA C 688 53.972 54.820 -0.848 1
1 657 . 9 1 1 A 65 65 ASP HA H 688 4.682 4.212 0.470 1
1 658 . 9 1 1 A 65 65 ASP CB C 688 41.061 39.444 1.617 1
1 660 . 9 1 1 A 66 66 SER N N 689 116.036 114.558 1.478 1
1 661 . 9 1 1 A 66 66 SER H H 689 8.285 7.665 0.620 1
1 662 . 9 1 1 A 66 66 SER CA C 689 58.352 57.091 1.261 1
1 663 . 9 1 1 A 66 66 SER HA H 689 4.443 4.738 -0.295 1
1 664 . 9 1 1 A 66 66 SER CB C 689 63.665 66.146 -2.481 1
1 666 . 9 1 1 A 67 67 THR N N 690 115.059 113.096 1.963 1
1 667 . 9 1 1 A 67 67 THR H H 690 8.253 9.228 -0.975 1
1 668 . 9 1 1 A 67 67 THR CA C 690 62.556 62.632 -0.076 1
1 669 . 9 1 1 A 67 67 THR HA H 690 4.379 4.242 0.137 1
1 670 . 9 1 1 A 67 67 THR CB C 690 69.623 67.466 2.157 1
1 676 . 9 1 1 A 68 68 GLY N N 691 111.091 112.102 -1.011 1
1 677 . 9 1 1 A 68 68 GLY H H 691 8.366 8.438 -0.072 1
1 678 . 9 1 1 A 68 68 GLY CA C 691 45.297 45.282 0.015 1
1 679 . 9 1 1 A 68 68 GLY HA2 H 691 4.002 4.009 -0.007 1
1 680 . 9 1 1 A 69 69 VAL N N 692 119.280 120.977 -1.697 1
1 681 . 9 1 1 A 69 69 VAL H H 692 7.876 8.451 -0.575 1
1 682 . 9 1 1 A 69 69 VAL CA C 692 62.068 63.010 -0.942 1
1 683 . 9 1 1 A 69 69 VAL HA H 692 4.176 3.848 0.328 1
1 684 . 9 1 1 A 69 69 VAL CB C 692 32.322 30.222 2.100 1
1 690 . 9 1 1 A 70 70 VAL N N 693 123.601 125.558 -1.957 1
1 691 . 9 1 1 A 70 70 VAL H H 693 8.102 8.097 0.005 1
1 692 . 9 1 1 A 70 70 VAL CA C 693 61.886 63.143 -1.257 1
1 693 . 9 1 1 A 70 70 VAL HA H 693 4.150 4.365 -0.215 1
1 694 . 9 1 1 A 70 70 VAL CB C 693 32.429 34.111 -1.682 1
1 700 . 9 1 1 A 71 71 ALA N N 694 129.048 123.597 5.451 1
1 701 . 9 1 1 A 71 71 ALA H H 694 8.374 8.231 0.143 1
1 702 . 9 1 1 A 71 71 ALA CA C 694 52.125 53.091 -0.966 1
1 703 . 9 1 1 A 71 71 ALA HA H 694 4.454 4.027 0.427 1
1 704 . 9 1 1 A 71 71 ALA CB C 694 19.203 17.442 1.761 1
1 708 . 9 1 1 A 72 72 LYS N N 695 118.535 117.472 1.063 1
1 709 . 9 1 1 A 72 72 LYS H H 695 7.833 7.852 -0.019 1
1 710 . 9 1 1 A 72 72 LYS CA C 695 54.556 58.126 -3.570 1
1 711 . 9 1 1 A 72 72 LYS HA H 695 4.827 4.255 0.572 1
1 712 . 9 1 1 A 72 72 LYS CB C 695 35.245 33.215 2.030 1
1 722 . 9 1 1 A 73 73 LEU N N 696 121.834 118.212 3.622 1
1 723 . 9 1 1 A 73 73 LEU H H 696 8.772 8.178 0.594 1
1 724 . 9 1 1 A 73 73 LEU CA C 696 54.973 56.095 -1.122 1
1 725 . 9 1 1 A 73 73 LEU HA H 696 4.268 4.358 -0.090 1
1 726 . 9 1 1 A 73 73 LEU CB C 696 42.467 42.863 -0.396 1
1 739 . 9 1 1 A 74 74 SER N N 697 121.120 109.891 11.229 1
1 740 . 9 1 1 A 74 74 SER H H 697 8.890 7.816 1.074 1
1 741 . 9 1 1 A 74 74 SER CA C 697 56.165 57.588 -1.423 1
1 742 . 9 1 1 A 74 74 SER HA H 697 4.710 4.538 0.172 1
1 743 . 9 1 1 A 74 74 SER CB C 697 62.177 65.339 -3.162 1
1 745 . 9 1 1 A 75 75 PRO CA C 698 66.251 65.865 0.386 1
1 746 . 9 1 1 A 75 75 PRO HA H 698 4.350 4.293 0.057 1
1 747 . 9 1 1 A 75 75 PRO CB C 698 31.661 31.690 -0.029 1
1 755 . 9 1 1 A 76 76 ALA N N 699 117.914 118.747 -0.833 1
1 756 . 9 1 1 A 76 76 ALA H H 699 8.458 8.090 0.368 1
1 757 . 9 1 1 A 76 76 ALA CA C 699 55.000 55.196 -0.196 1
1 758 . 9 1 1 A 76 76 ALA HA H 699 4.132 4.059 0.073 1
1 759 . 9 1 1 A 76 76 ALA CB C 699 18.785 18.221 0.564 1
1 763 . 9 1 1 A 77 77 ASN N N 700 116.945 117.492 -0.547 1
1 764 . 9 1 1 A 77 77 ASN H H 700 7.760 8.220 -0.460 1
1 765 . 9 1 1 A 77 77 ASN CA C 700 55.210 56.437 -1.227 1
1 766 . 9 1 1 A 77 77 ASN HA H 700 4.763 4.236 0.527 1
1 767 . 9 1 1 A 77 77 ASN CB C 700 38.005 37.764 0.241 1
1 770 . 9 1 1 A 78 78 GLN N N 701 124.719 119.956 4.763 1
1 771 . 9 1 1 A 78 78 GLN H H 701 9.480 8.282 1.198 1
1 772 . 9 1 1 A 78 78 GLN CA C 701 59.634 59.244 0.390 1
1 773 . 9 1 1 A 78 78 GLN HA H 701 3.673 4.500 -0.827 1
1 774 . 9 1 1 A 78 78 GLN CB C 701 27.114 28.694 -1.580 1
1 782 . 9 1 1 A 79 79 ARG N N 702 117.069 119.840 -2.771 1
1 783 . 9 1 1 A 79 79 ARG H H 702 7.654 7.828 -0.174 1
1 784 . 9 1 1 A 79 79 ARG CA C 702 57.561 59.514 -1.953 1
1 785 . 9 1 1 A 79 79 ARG HA H 702 4.487 4.116 0.371 1
1 786 . 9 1 1 A 79 79 ARG CB C 702 29.680 30.159 -0.479 1
1 794 . 9 1 1 A 80 80 LYS N N 703 119.251 118.237 1.014 1
1 795 . 9 1 1 A 80 80 LYS H H 703 7.636 8.471 -0.835 1
1 796 . 9 1 1 A 80 80 LYS CA C 703 60.735 59.086 1.649 1
1 797 . 9 1 1 A 80 80 LYS HA H 703 3.702 4.095 -0.393 1
1 798 . 9 1 1 A 80 80 LYS CB C 703 34.002 32.035 1.967 1
1 808 . 9 1 1 A 81 81 CYS N N 704 115.848 118.782 -2.934 1
1 809 . 9 1 1 A 81 81 CYS H H 704 8.031 8.105 -0.074 1
1 810 . 9 1 1 A 81 81 CYS CA C 704 64.823 62.648 2.175 1
1 811 . 9 1 1 A 81 81 CYS HA H 704 3.687 4.284 -0.597 1
1 812 . 9 1 1 A 81 81 CYS CB C 704 26.491 27.525 -1.034 1
1 815 . 9 1 1 A 82 82 GLU N N 705 118.931 121.255 -2.324 1
1 816 . 9 1 1 A 82 82 GLU H H 705 8.286 8.388 -0.102 1
1 817 . 9 1 1 A 82 82 GLU CA C 705 59.887 59.203 0.684 1
1 818 . 9 1 1 A 82 82 GLU HA H 705 3.589 4.148 -0.559 1
1 819 . 9 1 1 A 82 82 GLU CB C 705 29.067 29.271 -0.204 1
1 825 . 9 1 1 A 83 83 ARG N N 706 119.029 119.454 -0.425 1
1 826 . 9 1 1 A 83 83 ARG H H 706 7.931 7.758 0.173 1
1 827 . 9 1 1 A 83 83 ARG CA C 706 60.133 58.483 1.650 1
1 828 . 9 1 1 A 83 83 ARG HA H 706 3.748 4.237 -0.489 1
1 829 . 9 1 1 A 83 83 ARG CB C 706 30.197 30.015 0.182 1
1 838 . 9 1 1 A 84 84 VAL N N 707 119.247 120.276 -1.029 1
1 839 . 9 1 1 A 84 84 VAL H H 707 7.762 8.555 -0.793 1
1 840 . 9 1 1 A 84 84 VAL CA C 707 67.133 66.170 0.963 1
1 841 . 9 1 1 A 84 84 VAL HA H 707 3.562 3.902 -0.340 1
1 842 . 9 1 1 A 84 84 VAL CB C 707 31.857 32.051 -0.194 1
1 852 . 9 1 1 A 85 85 LEU N N 708 119.414 120.287 -0.873 1
1 853 . 9 1 1 A 85 85 LEU H H 708 8.844 8.682 0.162 1
1 854 . 9 1 1 A 85 85 LEU CA C 708 57.561 58.277 -0.716 1
1 855 . 9 1 1 A 85 85 LEU HA H 708 4.366 4.086 0.280 1
1 856 . 9 1 1 A 85 85 LEU CB C 708 41.320 41.229 0.091 1
1 869 . 9 1 1 A 86 86 LEU N N 709 120.156 120.893 -0.737 1
1 870 . 9 1 1 A 86 86 LEU H H 709 9.044 7.933 1.111 1
1 871 . 9 1 1 A 86 86 LEU CA C 709 57.977 58.613 -0.636 1
1 872 . 9 1 1 A 86 86 LEU HA H 709 4.382 4.109 0.273 1
1 873 . 9 1 1 A 86 86 LEU CB C 709 41.069 42.106 -1.037 1
1 886 . 9 1 1 A 87 87 ALA N N 710 121.264 120.461 0.803 1
1 887 . 9 1 1 A 87 87 ALA H H 710 8.136 8.756 -0.620 1
1 888 . 9 1 1 A 87 87 ALA CA C 710 55.439 55.771 -0.332 1
1 889 . 9 1 1 A 87 87 ALA HA H 710 4.217 4.401 -0.184 1
1 890 . 9 1 1 A 87 87 ALA CB C 710 17.525 18.961 -1.436 1
1 894 . 9 1 1 A 88 88 LEU N N 711 117.148 119.578 -2.430 1
1 895 . 9 1 1 A 88 88 LEU H H 711 8.158 8.737 -0.579 1
1 896 . 9 1 1 A 88 88 LEU CA C 711 58.688 58.074 0.614 1
1 897 . 9 1 1 A 88 88 LEU HA H 711 4.401 3.327 1.074 1
1 898 . 9 1 1 A 88 88 LEU CB C 711 41.534 42.159 -0.625 1
1 911 . 9 1 1 A 89 89 PHE N N 712 117.048 117.617 -0.569 1
1 912 . 9 1 1 A 89 89 PHE H H 712 8.536 9.206 -0.670 1
1 913 . 9 1 1 A 89 89 PHE CA C 712 62.732 60.947 1.785 1
1 914 . 9 1 1 A 89 89 PHE HA H 712 3.971 4.623 -0.652 1
1 915 . 9 1 1 A 89 89 PHE CB C 712 40.351 38.921 1.430 1
1 922 . 9 1 1 A 90 90 CYS N N 713 111.682 117.762 -6.080 1
1 923 . 9 1 1 A 90 90 CYS H H 713 7.689 9.025 -1.336 1
1 924 . 9 1 1 A 90 90 CYS CA C 713 60.573 62.336 -1.763 1
1 925 . 9 1 1 A 90 90 CYS HA H 713 4.614 4.139 0.475 1
1 926 . 9 1 1 A 90 90 CYS CB C 713 28.820 27.764 1.056 1
1 929 . 9 1 1 A 91 91 HIS N N 714 123.036 117.382 5.654 1
1 930 . 9 1 1 A 91 91 HIS H H 714 7.517 7.940 -0.423 1
1 931 . 9 1 1 A 91 91 HIS CA C 714 54.945 54.815 0.130 1
1 932 . 9 1 1 A 91 91 HIS HA H 714 4.939 4.532 0.407 1
1 933 . 9 1 1 A 91 91 HIS CB C 714 31.433 31.830 -0.397 1
1 940 . 9 1 1 A 92 92 GLU CA C 715 61.506 61.210 0.296 1
1 941 . 9 1 1 A 92 92 GLU HA H 715 4.052 3.962 0.090 1
1 942 . 9 1 1 A 92 92 GLU CB C 715 26.765 29.046 -2.281 1
1 947 . 9 1 1 A 93 93 PRO CA C 716 65.272 65.350 -0.078 1
1 948 . 9 1 1 A 93 93 PRO HA H 716 4.294 4.398 -0.104 1
1 949 . 9 1 1 A 93 93 PRO CB C 716 31.486 31.145 0.341 1
1 958 . 9 1 1 A 94 94 CYS N N 717 110.309 116.261 -5.952 1
1 959 . 9 1 1 A 94 94 CYS H H 717 7.667 8.413 -0.746 1
1 960 . 9 1 1 A 94 94 CYS CA C 717 58.484 61.941 -3.457 1
1 961 . 9 1 1 A 94 94 CYS HA H 717 4.406 4.170 0.236 1
1 962 . 9 1 1 A 94 94 CYS CB C 717 28.612 27.608 1.004 1
1 965 . 9 1 1 A 95 95 ARG N N 718 122.655 120.190 2.465 1
1 966 . 9 1 1 A 95 95 ARG H H 718 7.928 8.449 -0.521 1
1 967 . 9 1 1 A 95 95 ARG CA C 718 60.829 59.035 1.794 1
1 968 . 9 1 1 A 95 95 ARG HA H 718 3.740 2.486 1.254 1
1 969 . 9 1 1 A 95 95 ARG CB C 718 28.131 29.216 -1.085 1
1 977 . 9 1 1 A 96 96 PRO CA C 719 65.328 65.910 -0.582 1
1 978 . 9 1 1 A 96 96 PRO HA H 719 4.456 4.321 0.135 1
1 979 . 9 1 1 A 96 96 PRO CB C 719 31.665 30.796 0.869 1
1 987 . 9 1 1 A 97 97 LEU N N 720 112.429 117.741 -5.312 1
1 988 . 9 1 1 A 97 97 LEU H H 720 7.720 7.315 0.405 1
1 989 . 9 1 1 A 97 97 LEU CA C 720 54.707 57.246 -2.539 1
1 990 . 9 1 1 A 97 97 LEU HA H 720 4.228 3.794 0.434 1
1 991 . 9 1 1 A 97 97 LEU CB C 720 40.391 41.155 -0.764 1
1 1004 . 9 1 1 A 98 98 HIS N N 721 118.891 117.577 1.314 1
1 1005 . 9 1 1 A 98 98 HIS H H 721 7.964 8.786 -0.822 1
1 1006 . 9 1 1 A 98 98 HIS CA C 721 60.901 58.441 2.460 1
1 1007 . 9 1 1 A 98 98 HIS HA H 721 4.190 3.873 0.317 1
1 1008 . 9 1 1 A 98 98 HIS CB C 721 31.678 29.669 2.009 1
1 1015 . 9 1 1 A 99 99 GLN N N 722 116.787 115.590 1.197 1
1 1016 . 9 1 1 A 99 99 GLN H H 722 8.090 7.322 0.768 1
1 1017 . 9 1 1 A 99 99 GLN CA C 722 55.180 54.896 0.284 1
1 1018 . 9 1 1 A 99 99 GLN HA H 722 4.808 4.609 0.199 1
1 1019 . 9 1 1 A 99 99 GLN CB C 722 30.690 29.573 1.117 1
1 1024 . 9 1 1 A 100 100 LEU H H 723 9.277 7.399 1.878 1
1 1025 . 9 1 1 A 100 100 LEU CA C 723 55.397 58.915 -3.518 1
1 1026 . 9 1 1 A 100 100 LEU HA H 723 4.566 3.951 0.615 1
1 1027 . 9 1 1 A 100 100 LEU CB C 723 43.862 41.931 1.931 1
1 1040 . 9 1 1 A 101 101 ALA N N 724 123.211 120.746 2.465 1
1 1041 . 9 1 1 A 101 101 ALA H H 724 8.577 8.169 0.408 1
1 1042 . 9 1 1 A 101 101 ALA CA C 724 52.591 51.271 1.320 1
1 1043 . 9 1 1 A 101 101 ALA HA H 724 4.392 4.540 -0.148 1
1 1044 . 9 1 1 A 101 101 ALA CB C 724 19.262 19.800 -0.538 1
1 1048 . 9 1 1 A 102 102 THR N N 725 112.189 110.918 1.271 1
1 1049 . 9 1 1 A 102 102 THR H H 725 8.069 8.795 -0.726 1
1 1050 . 9 1 1 A 102 102 THR CA C 725 61.802 60.586 1.216 1
1 1051 . 9 1 1 A 102 102 THR HA H 725 4.366 4.652 -0.286 1
1 1052 . 9 1 1 A 102 102 THR CB C 725 69.684 69.232 0.452 1
1 1058 . 9 1 1 A 103 103 ASP N N 726 121.846 122.281 -0.435 1
1 1059 . 9 1 1 A 103 103 ASP H H 726 8.195 8.159 0.036 1
1 1060 . 9 1 1 A 103 103 ASP CA C 726 54.057 54.796 -0.739 1
1 1061 . 9 1 1 A 103 103 ASP HA H 726 4.681 4.714 -0.033 1
1 1062 . 9 1 1 A 103 103 ASP CB C 726 41.228 39.315 1.913 1
1 1064 . 9 1 1 A 104 104 SER N N 727 116.230 118.038 -1.808 1
1 1065 . 9 1 1 A 104 104 SER H H 727 8.260 8.191 0.069 1
1 1066 . 9 1 1 A 104 104 SER CA C 727 58.945 56.584 2.361 1
1 1067 . 9 1 1 A 104 104 SER HA H 727 4.468 4.645 -0.177 1
1 1068 . 9 1 1 A 104 104 SER CB C 727 63.856 63.725 0.131 1
1 1070 . 9 1 1 A 105 105 THR N N 728 115.362 111.028 4.334 1
1 1071 . 9 1 1 A 105 105 THR H H 728 8.205 8.218 -0.013 1
1 1072 . 9 1 1 A 105 105 THR CA C 728 62.744 62.417 0.327 1
1 1073 . 9 1 1 A 105 105 THR HA H 728 4.238 4.317 -0.079 1
1 1074 . 9 1 1 A 105 105 THR CB C 728 69.490 67.040 2.450 1
1 1080 . 9 1 1 A 106 106 PHE N N 729 121.735 121.077 0.658 1
1 1081 . 9 1 1 A 106 106 PHE H H 729 8.047 8.387 -0.340 1
1 1082 . 9 1 1 A 106 106 PHE CA C 729 57.966 57.589 0.377 1
1 1083 . 9 1 1 A 106 106 PHE HA H 729 4.626 4.763 -0.137 1
1 1084 . 9 1 1 A 106 106 PHE CB C 729 39.633 41.059 -1.426 1
1 1090 . 9 1 1 A 107 107 SER N N 730 116.751 114.547 2.204 1
1 1091 . 9 1 1 A 107 107 SER H H 730 7.962 8.280 -0.318 1
1 1092 . 9 1 1 A 107 107 SER CA C 730 57.921 61.105 -3.184 1
1 1093 . 9 1 1 A 107 107 SER HA H 730 4.413 3.852 0.561 1
1 1094 . 9 1 1 A 107 107 SER CB C 730 63.659 62.342 1.317 1
1 1097 . 9 1 1 A 108 108 LEU N N 731 123.373 122.283 1.090 1
1 1098 . 9 1 1 A 108 108 LEU H H 731 8.212 7.775 0.437 1
1 1099 . 9 1 1 A 108 108 LEU CA C 731 55.650 56.767 -1.117 1
1 1100 . 9 1 1 A 108 108 LEU HA H 731 4.265 4.105 0.160 1
1 1101 . 9 1 1 A 108 108 LEU CB C 731 42.257 41.804 0.453 1
1 1113 . 9 1 1 A 109 109 ASP N N 732 118.496 117.506 0.990 1
1 1114 . 9 1 1 A 109 109 ASP H H 732 8.172 7.881 0.291 1
1 1115 . 9 1 1 A 109 109 ASP CA C 732 54.239 54.065 0.174 1
1 1116 . 9 1 1 A 109 109 ASP HA H 732 4.566 4.731 -0.165 1
1 1117 . 9 1 1 A 109 109 ASP CB C 732 41.124 41.107 0.017 1
1 1120 . 9 1 1 A 110 110 GLN N N 733 119.403 119.497 -0.094 1
1 1121 . 9 1 1 A 110 110 GLN H H 733 7.707 7.451 0.256 1
1 1122 . 9 1 1 A 110 110 GLN CA C 733 53.251 53.917 -0.666 1
1 1123 . 9 1 1 A 110 110 GLN HA H 733 4.675 4.538 0.137 1
1 1124 . 9 1 1 A 110 110 GLN CB C 733 29.061 27.897 1.164 1
1 1129 . 9 1 1 A 111 111 PRO CA C 734 63.869 63.839 0.030 1
1 1130 . 9 1 1 A 111 111 PRO HA H 734 4.435 4.477 -0.042 1
1 1131 . 9 1 1 A 111 111 PRO CB C 734 31.900 31.914 -0.014 1
1 1139 . 9 1 1 A 112 112 GLY N N 735 109.783 108.073 1.710 1
1 1140 . 9 1 1 A 112 112 GLY H H 735 8.510 7.645 0.865 1
1 1141 . 9 1 1 A 112 112 GLY CA C 735 44.954 45.277 -0.323 1
1 1142 . 9 1 1 A 112 112 GLY HA3 H 735 3.903 3.993 -0.090 1
1 1143 . 9 1 1 A 112 112 GLY HA2 H 735 3.994 3.992 0.002 1
1 1144 . 9 1 1 A 113 113 GLY N N 736 108.485 108.047 0.438 1
1 1145 . 9 1 1 A 113 113 GLY H H 736 8.138 8.091 0.047 1
1 1146 . 9 1 1 A 113 113 GLY CA C 736 44.755 44.908 -0.153 1
1 1147 . 9 1 1 A 113 113 GLY HA3 H 736 3.899 3.772 0.127 1
1 1148 . 9 1 1 A 113 113 GLY HA2 H 736 3.964 3.750 0.214 1
1 1149 . 9 1 1 A 114 114 THR N N 737 116.361 114.363 1.998 1
1 1150 . 9 1 1 A 114 114 THR H H 737 7.951 8.355 -0.404 1
1 1151 . 9 1 1 A 114 114 THR CA C 737 62.508 64.087 -1.579 1
1 1152 . 9 1 1 A 114 114 THR HA H 737 4.189 4.385 -0.196 1
1 1153 . 9 1 1 A 114 114 THR CB C 737 69.780 69.612 0.168 1
1 1159 . 9 1 1 A 115 115 LEU N N 738 125.899 120.478 5.421 1
1 1160 . 9 1 1 A 115 115 LEU H H 738 8.575 7.959 0.616 1
1 1161 . 9 1 1 A 115 115 LEU CA C 738 54.534 56.748 -2.214 1
1 1162 . 9 1 1 A 115 115 LEU HA H 738 4.452 4.356 0.096 1
1 1163 . 9 1 1 A 115 115 LEU CB C 738 45.506 40.894 4.612 1
1 1176 . 9 1 1 A 116 116 ASP N N 739 115.416 119.754 -4.338 1
1 1177 . 9 1 1 A 116 116 ASP H H 739 6.819 8.520 -1.701 1
1 1178 . 9 1 1 A 116 116 ASP CA C 739 52.606 53.447 -0.841 1
1 1179 . 9 1 1 A 116 116 ASP HA H 739 4.472 4.812 -0.340 1
1 1180 . 9 1 1 A 116 116 ASP CB C 739 42.811 40.889 1.922 1
1 1183 . 9 1 1 A 117 117 LEU N N 740 115.281 118.270 -2.989 1
1 1184 . 9 1 1 A 117 117 LEU H H 740 8.213 8.355 -0.142 1
1 1185 . 9 1 1 A 117 117 LEU CA C 740 57.750 56.847 0.903 1
1 1186 . 9 1 1 A 117 117 LEU HA H 740 3.841 3.968 -0.127 1
1 1187 . 9 1 1 A 117 117 LEU CB C 740 42.005 41.406 0.599 1
1 1200 . 9 1 1 A 118 118 THR N N 741 116.995 111.248 5.747 1
1 1201 . 9 1 1 A 118 118 THR H H 741 8.152 8.279 -0.127 1
1 1202 . 9 1 1 A 118 118 THR CA C 741 68.068 65.734 2.334 1
1 1203 . 9 1 1 A 118 118 THR HA H 741 4.054 4.213 -0.159 1
1 1204 . 9 1 1 A 118 118 THR CB C 741 68.392 68.543 -0.151 1
1 1210 . 9 1 1 A 119 119 LEU N N 742 127.180 123.536 3.644 1
1 1211 . 9 1 1 A 119 119 LEU H H 742 8.804 8.214 0.590 1
1 1212 . 9 1 1 A 119 119 LEU CA C 742 58.460 58.550 -0.090 1
1 1213 . 9 1 1 A 119 119 LEU HA H 742 4.214 3.985 0.229 1
1 1214 . 9 1 1 A 119 119 LEU CB C 742 42.491 41.984 0.507 1
1 1227 . 9 1 1 A 120 120 ILE N N 743 120.880 119.282 1.598 1
1 1228 . 9 1 1 A 120 120 ILE H H 743 7.884 7.779 0.105 1
1 1229 . 9 1 1 A 120 120 ILE CA C 743 65.546 64.642 0.904 1
1 1230 . 9 1 1 A 120 120 ILE HA H 743 4.101 3.544 0.557 1
1 1231 . 9 1 1 A 120 120 ILE CB C 743 38.693 37.182 1.511 1
1 1244 . 9 1 1 A 121 121 ARG N N 744 119.772 120.757 -0.985 1
1 1245 . 9 1 1 A 121 121 ARG H H 744 8.792 8.503 0.289 1
1 1246 . 9 1 1 A 121 121 ARG CA C 744 60.369 59.560 0.809 1
1 1247 . 9 1 1 A 121 121 ARG HA H 744 3.896 3.632 0.264 1
1 1248 . 9 1 1 A 121 121 ARG CB C 744 30.241 30.094 0.147 1
1 1257 . 9 1 1 A 122 122 ALA N N 745 120.978 121.396 -0.418 1
1 1258 . 9 1 1 A 122 122 ALA H H 745 8.303 8.054 0.249 1
1 1259 . 9 1 1 A 122 122 ALA CA C 745 55.203 55.373 -0.170 1
1 1260 . 9 1 1 A 122 122 ALA HA H 745 4.246 3.970 0.276 1
1 1261 . 9 1 1 A 122 122 ALA CB C 745 18.005 18.323 -0.318 1
1 1265 . 9 1 1 A 123 123 ARG N N 746 119.408 117.940 1.468 1
1 1266 . 9 1 1 A 123 123 ARG H H 746 8.224 7.604 0.620 1
1 1267 . 9 1 1 A 123 123 ARG CA C 746 59.895 59.567 0.328 1
1 1268 . 9 1 1 A 123 123 ARG HA H 746 4.335 3.966 0.369 1
1 1269 . 9 1 1 A 123 123 ARG CB C 746 29.768 30.062 -0.294 1
1 1279 . 9 1 1 A 124 124 LEU N N 747 125.115 120.021 5.094 1
1 1280 . 9 1 1 A 124 124 LEU H H 747 9.029 7.443 1.586 1
1 1281 . 9 1 1 A 124 124 LEU CA C 747 57.559 57.682 -0.123 1
1 1282 . 9 1 1 A 124 124 LEU HA H 747 4.925 3.564 1.361 1
1 1283 . 9 1 1 A 124 124 LEU CB C 747 42.721 41.300 1.421 1
1 1296 . 9 1 1 A 125 125 GLN N N 748 114.117 115.399 -1.282 1
1 1297 . 9 1 1 A 125 125 GLN H H 748 8.418 8.320 0.098 1
1 1298 . 9 1 1 A 125 125 GLN CA C 748 55.664 57.360 -1.696 1
1 1299 . 9 1 1 A 125 125 GLN HA H 748 4.444 4.308 0.136 1
1 1300 . 9 1 1 A 125 125 GLN CB C 748 29.301 28.996 0.305 1
1 1309 . 9 1 1 A 126 126 GLU N N 749 113.381 116.575 -3.194 1
1 1310 . 9 1 1 A 126 126 GLU H H 749 7.978 7.996 -0.018 1
1 1311 . 9 1 1 A 126 126 GLU CA C 749 57.789 56.693 1.096 1
1 1312 . 9 1 1 A 126 126 GLU HA H 749 4.156 4.895 -0.739 1
1 1313 . 9 1 1 A 126 126 GLU CB C 749 25.906 32.879 -6.973 1
1 1318 . 9 1 1 A 127 127 LYS N N 750 116.557 120.052 -3.495 1
1 1319 . 9 1 1 A 127 127 LYS H H 750 8.538 8.314 0.224 1
1 1320 . 9 1 1 A 127 127 LYS CA C 750 56.417 59.237 -2.820 1
1 1321 . 9 1 1 A 127 127 LYS HA H 750 4.344 4.009 0.335 1
1 1322 . 9 1 1 A 127 127 LYS CB C 750 33.029 32.216 0.813 1
1 1332 . 9 1 1 A 128 128 LEU N N 751 119.986 119.012 0.974 1
1 1333 . 9 1 1 A 128 128 LEU H H 751 6.949 8.078 -1.129 1
1 1334 . 9 1 1 A 128 128 LEU CA C 751 53.476 57.796 -4.320 1
1 1335 . 9 1 1 A 128 128 LEU HA H 751 4.532 4.114 0.418 1
1 1336 . 9 1 1 A 128 128 LEU CB C 751 45.503 41.416 4.087 1
1 1349 . 9 1 1 A 129 129 SER N N 752 118.455 113.304 5.151 1
1 1350 . 9 1 1 A 129 129 SER H H 752 8.225 7.727 0.498 1
1 1351 . 9 1 1 A 129 129 SER CA C 752 56.129 58.541 -2.412 1
1 1352 . 9 1 1 A 129 129 SER HA H 752 4.434 4.775 -0.341 1
1 1353 . 9 1 1 A 129 129 SER CB C 752 63.911 64.772 -0.861 1
1 1356 . 9 1 1 A 130 130 PRO CA C 753 61.355 61.882 -0.527 1
1 1357 . 9 1 1 A 130 130 PRO HA H 753 5.026 4.643 0.383 1
1 1358 . 9 1 1 A 130 130 PRO CB C 753 32.831 32.919 -0.088 1
1 1366 . 9 1 1 A 131 131 PRO CA C 754 62.470 62.179 0.291 1
1 1367 . 9 1 1 A 131 131 PRO HA H 754 4.651 4.682 -0.031 1
1 1368 . 9 1 1 A 131 131 PRO CB C 754 32.403 32.624 -0.221 1
1 1377 . 9 1 1 A 132 132 TYR N N 755 121.321 122.694 -1.373 1
1 1378 . 9 1 1 A 132 132 TYR H H 755 9.635 8.551 1.084 1
1 1379 . 9 1 1 A 132 132 TYR CA C 755 60.382 58.523 1.859 1
1 1380 . 9 1 1 A 132 132 TYR HA H 755 4.433 5.227 -0.794 1
1 1381 . 9 1 1 A 132 132 TYR CB C 755 38.713 39.431 -0.718 1
1 1388 . 9 1 1 A 133 133 SER N N 756 114.917 119.149 -4.232 1
1 1389 . 9 1 1 A 133 133 SER H H 756 9.343 8.465 0.878 1
1 1390 . 9 1 1 A 133 133 SER CA C 756 58.776 57.117 1.659 1
1 1391 . 9 1 1 A 133 133 SER HA H 756 4.430 4.810 -0.380 1
1 1392 . 9 1 1 A 133 133 SER CB C 756 64.839 64.680 0.159 1
1 1394 . 9 1 1 A 134 134 SER N N 757 112.021 114.479 -2.458 1
1 1395 . 9 1 1 A 134 134 SER H H 757 7.500 7.122 0.378 1
1 1396 . 9 1 1 A 134 134 SER CA C 757 56.158 55.507 0.651 1
1 1397 . 9 1 1 A 134 134 SER HA H 757 4.950 4.601 0.349 1
1 1398 . 9 1 1 A 134 134 SER CB C 757 63.906 65.679 -1.773 1
1 1401 . 9 1 1 A 135 135 PRO CA C 758 64.159 64.788 -0.629 1
1 1402 . 9 1 1 A 135 135 PRO HA H 758 4.132 4.598 -0.466 1
1 1403 . 9 1 1 A 135 135 PRO CB C 758 31.649 32.380 -0.731 1
1 1412 . 9 1 1 A 136 136 GLN N N 759 116.382 117.187 -0.805 1
1 1413 . 9 1 1 A 136 136 GLN H H 759 8.067 8.224 -0.157 1
1 1414 . 9 1 1 A 136 136 GLN CA C 759 59.483 58.331 1.152 1
1 1415 . 9 1 1 A 136 136 GLN HA H 759 3.963 4.006 -0.043 1
1 1416 . 9 1 1 A 136 136 GLN CB C 759 27.414 28.026 -0.612 1
1 1425 . 9 1 1 A 137 137 GLU N N 760 121.764 119.466 2.298 1
1 1426 . 9 1 1 A 137 137 GLU H H 760 7.826 8.500 -0.674 1
1 1427 . 9 1 1 A 137 137 GLU CA C 760 59.184 59.407 -0.223 1
1 1428 . 9 1 1 A 137 137 GLU HA H 760 4.063 4.055 0.008 1
1 1429 . 9 1 1 A 137 137 GLU CB C 760 30.403 29.437 0.966 1
1 1435 . 9 1 1 A 138 138 PHE N N 761 120.582 120.063 0.519 1
1 1436 . 9 1 1 A 138 138 PHE H H 761 6.900 8.698 -1.798 1
1 1437 . 9 1 1 A 138 138 PHE CA C 761 60.105 60.878 -0.773 1
1 1438 . 9 1 1 A 138 138 PHE HA H 761 3.604 4.382 -0.778 1
1 1439 . 9 1 1 A 138 138 PHE CB C 761 38.271 38.888 -0.617 1
1 1448 . 9 1 1 A 139 139 ALA N N 762 120.917 122.843 -1.926 1
1 1449 . 9 1 1 A 139 139 ALA H H 762 8.399 7.807 0.592 1
1 1450 . 9 1 1 A 139 139 ALA CA C 762 54.940 55.333 -0.393 1
1 1451 . 9 1 1 A 139 139 ALA HA H 762 3.804 4.179 -0.375 1
1 1452 . 9 1 1 A 139 139 ALA CB C 762 18.001 18.157 -0.156 1
1 1456 . 9 1 1 A 140 140 GLN N N 763 119.041 117.965 1.076 1
1 1457 . 9 1 1 A 140 140 GLN H H 763 8.436 8.597 -0.161 1
1 1458 . 9 1 1 A 140 140 GLN CA C 763 58.474 58.468 0.006 1
1 1459 . 9 1 1 A 140 140 GLN HA H 763 4.056 4.125 -0.069 1
1 1460 . 9 1 1 A 140 140 GLN CB C 763 28.345 28.232 0.113 1
1 1469 . 9 1 1 A 141 141 ASP N N 764 122.985 119.915 3.070 1
1 1470 . 9 1 1 A 141 141 ASP H H 764 7.694 7.949 -0.255 1
1 1471 . 9 1 1 A 141 141 ASP CA C 764 57.087 56.172 0.915 1
1 1472 . 9 1 1 A 141 141 ASP HA H 764 4.517 4.476 0.041 1
1 1473 . 9 1 1 A 141 141 ASP CB C 764 39.897 40.684 -0.787 1
1 1476 . 9 1 1 A 142 142 VAL N N 765 119.630 120.752 -1.122 1
1 1477 . 9 1 1 A 142 142 VAL H H 765 7.431 7.995 -0.564 1
1 1478 . 9 1 1 A 142 142 VAL CA C 765 66.489 65.918 0.571 1
1 1479 . 9 1 1 A 142 142 VAL HA H 765 2.740 3.382 -0.642 1
1 1480 . 9 1 1 A 142 142 VAL CB C 765 30.729 31.063 -0.334 1
1 1490 . 9 1 1 A 143 143 GLY N N 766 104.089 107.407 -3.318 1
1 1491 . 9 1 1 A 143 143 GLY H H 766 8.089 8.183 -0.094 1
1 1492 . 9 1 1 A 143 143 GLY CA C 766 47.271 46.693 0.578 1
1 1493 . 9 1 1 A 143 143 GLY HA3 H 766 3.783 3.776 0.007 1
1 1494 . 9 1 1 A 143 143 GLY HA2 H 766 3.870 3.664 0.206 1
1 1495 . 9 1 1 A 144 144 ARG N N 767 123.406 122.383 1.023 1
1 1496 . 9 1 1 A 144 144 ARG H H 767 8.270 7.642 0.628 1
1 1497 . 9 1 1 A 144 144 ARG CA C 767 59.627 59.272 0.355 1
1 1498 . 9 1 1 A 144 144 ARG HA H 767 4.026 4.066 -0.040 1
1 1499 . 9 1 1 A 144 144 ARG CB C 767 30.003 30.466 -0.463 1
1 1507 . 9 1 1 A 145 145 MET N N 768 121.310 119.203 2.107 1
1 1508 . 9 1 1 A 145 145 MET H H 768 8.053 8.213 -0.160 1
1 1509 . 9 1 1 A 145 145 MET CA C 768 58.727 58.792 -0.065 1
1 1510 . 9 1 1 A 145 145 MET HA H 768 3.932 4.096 -0.164 1
1 1511 . 9 1 1 A 145 145 MET CB C 768 31.536 32.186 -0.650 1
1 1521 . 9 1 1 A 146 146 PHE N N 769 117.125 118.055 -0.930 1
1 1522 . 9 1 1 A 146 146 PHE H H 769 8.005 8.822 -0.817 1
1 1523 . 9 1 1 A 146 146 PHE CA C 769 59.441 61.722 -2.281 1
1 1524 . 9 1 1 A 146 146 PHE HA H 769 4.582 4.814 -0.232 1
1 1525 . 9 1 1 A 146 146 PHE CB C 769 37.558 38.604 -1.046 1
1 1534 . 9 1 1 A 147 147 LYS N N 770 119.226 119.677 -0.451 1
1 1535 . 9 1 1 A 147 147 LYS H H 770 8.078 7.790 0.288 1
1 1536 . 9 1 1 A 147 147 LYS CA C 770 59.479 59.478 0.001 1
1 1537 . 9 1 1 A 147 147 LYS HA H 770 4.153 3.976 0.177 1
1 1538 . 9 1 1 A 147 147 LYS CB C 770 32.336 32.190 0.146 1
1 1547 . 9 1 1 A 148 148 GLN N N 771 118.870 117.804 1.066 1
1 1548 . 9 1 1 A 148 148 GLN H H 771 8.338 8.038 0.300 1
1 1549 . 9 1 1 A 148 148 GLN CA C 771 58.440 57.968 0.472 1
1 1550 . 9 1 1 A 148 148 GLN HA H 771 4.140 4.188 -0.048 1
1 1551 . 9 1 1 A 148 148 GLN CB C 771 28.382 28.454 -0.072 1
1 1560 . 9 1 1 A 149 149 PHE N N 772 120.162 121.377 -1.215 1
1 1561 . 9 1 1 A 149 149 PHE H H 772 8.411 8.864 -0.453 1
1 1562 . 9 1 1 A 149 149 PHE CA C 772 60.460 60.966 -0.506 1
1 1563 . 9 1 1 A 149 149 PHE HA H 772 4.433 4.113 0.320 1
1 1564 . 9 1 1 A 149 149 PHE CB C 772 39.428 39.268 0.160 1
1 1573 . 9 1 1 A 150 150 ASN N N 773 117.836 117.140 0.696 1
1 1574 . 9 1 1 A 150 150 ASN H H 773 8.279 8.399 -0.120 1
1 1575 . 9 1 1 A 150 150 ASN HA H 773 4.375 4.603 -0.228 1
1 1576 . 9 1 1 A 150 150 ASN CB C 773 38.977 38.386 0.591 1
1 1582 . 9 1 1 A 151 151 LYS N N 774 118.045 117.365 0.680 1
1 1583 . 9 1 1 A 151 151 LYS H H 774 7.648 7.463 0.185 1
1 1584 . 9 1 1 A 151 151 LYS CA C 774 57.563 57.879 -0.316 1
1 1585 . 9 1 1 A 151 151 LYS HA H 774 4.225 4.183 0.042 1
1 1586 . 9 1 1 A 151 151 LYS CB C 774 32.333 32.631 -0.298 1
1 1595 . 9 1 1 A 152 152 LEU N N 775 119.031 117.921 1.110 1
1 1596 . 9 1 1 A 152 152 LEU H H 775 7.825 7.837 -0.012 1
1 1597 . 9 1 1 A 152 152 LEU CA C 775 55.990 55.005 0.985 1
1 1598 . 9 1 1 A 152 152 LEU HA H 775 4.270 4.392 -0.122 1
1 1599 . 9 1 1 A 152 152 LEU CB C 775 42.487 42.628 -0.141 1
1 1612 . 9 1 1 A 153 153 THR N N 776 110.107 111.585 -1.478 1
1 1613 . 9 1 1 A 153 153 THR H H 776 7.525 8.113 -0.588 1
1 1614 . 9 1 1 A 153 153 THR CA C 776 61.535 62.685 -1.150 1
1 1615 . 9 1 1 A 153 153 THR HA H 776 4.332 4.242 0.090 1
1 1616 . 9 1 1 A 153 153 THR CB C 776 69.570 68.648 0.922 1
1 1622 . 9 1 1 A 154 154 GLU N N 777 122.427 122.863 -0.436 1
1 1623 . 9 1 1 A 154 154 GLU H H 777 8.027 8.610 -0.583 1
1 1624 . 9 1 1 A 154 154 GLU CA C 777 57.720 59.066 -1.346 1
1 1625 . 9 1 1 A 154 154 GLU HA H 777 4.216 4.029 0.187 1
1 1626 . 9 1 1 A 154 154 GLU CB C 777 29.977 28.904 1.073 1
1 1631 . 9 1 1 A 155 155 ASP N N 778 119.283 119.862 -0.579 1
1 1632 . 9 1 1 A 155 155 ASP H H 778 8.372 7.932 0.440 1
1 1633 . 9 1 1 A 155 155 ASP CA C 778 54.709 56.638 -1.929 1
1 1634 . 9 1 1 A 155 155 ASP HA H 778 4.602 4.486 0.116 1
1 1635 . 9 1 1 A 155 155 ASP CB C 778 40.600 40.755 -0.155 1
1 1638 . 9 1 1 A 156 156 LYS N N 779 120.684 118.428 2.256 1
1 1639 . 9 1 1 A 156 156 LYS H H 779 8.068 7.731 0.337 1
1 1640 . 9 1 1 A 156 156 LYS CA C 779 56.388 55.315 1.073 1
1 1641 . 9 1 1 A 156 156 LYS HA H 779 4.333 4.513 -0.180 1
1 1642 . 9 1 1 A 156 156 LYS CB C 779 32.814 33.461 -0.647 1
1 1651 . 9 1 1 A 157 157 ALA N N 780 123.182 123.286 -0.104 1
1 1652 . 9 1 1 A 157 157 ALA H H 780 8.197 8.598 -0.401 1
1 1653 . 9 1 1 A 157 157 ALA CA C 780 52.591 54.103 -1.512 1
1 1654 . 9 1 1 A 157 157 ALA HA H 780 4.337 4.290 0.047 1
1 1655 . 9 1 1 A 157 157 ALA CB C 780 19.186 19.241 -0.055 1
1 1659 . 9 1 1 A 158 158 ASP N N 781 118.794 113.215 5.579 1
1 1660 . 9 1 1 A 158 158 ASP H H 781 8.222 7.459 0.763 1
1 1661 . 9 1 1 A 158 158 ASP CA C 781 54.003 55.551 -1.548 1
1 1662 . 9 1 1 A 158 158 ASP HA H 781 4.673 4.689 -0.016 1
1 1663 . 9 1 1 A 158 158 ASP CB C 781 41.075 42.055 -0.980 1
1 1666 . 9 1 1 A 159 159 VAL N N 782 120.713 117.766 2.947 1
1 1667 . 9 1 1 A 159 159 VAL H H 782 8.039 8.372 -0.333 1
1 1668 . 9 1 1 A 159 159 VAL CA C 782 63.898 64.503 -0.605 1
1 1669 . 9 1 1 A 159 159 VAL HA H 782 4.028 3.978 0.050 1
1 1670 . 9 1 1 A 159 159 VAL CB C 782 32.181 32.524 -0.343 1
1 1680 . 9 1 1 A 160 160 GLN N N 783 120.756 122.213 -1.457 1
1 1681 . 9 1 1 A 160 160 GLN H H 783 8.370 8.322 0.048 1
1 1682 . 9 1 1 A 160 160 GLN CA C 783 57.563 58.383 -0.820 1
1 1683 . 9 1 1 A 160 160 GLN HA H 783 4.219 4.006 0.213 1
1 1684 . 9 1 1 A 160 160 GLN CB C 783 28.410 28.284 0.126 1
1 1691 . 9 1 1 A 161 161 SER N N 784 116.111 114.307 1.804 1
1 1692 . 9 1 1 A 161 161 SER H H 784 8.190 7.674 0.516 1
1 1693 . 9 1 1 A 161 161 SER CA C 784 60.089 61.033 -0.944 1
1 1694 . 9 1 1 A 161 161 SER HA H 784 4.361 4.333 0.028 1
1 1695 . 9 1 1 A 161 161 SER CB C 784 62.955 62.862 0.093 1
1 1698 . 9 1 1 A 162 162 ILE N N 785 122.105 121.266 0.839 1
1 1699 . 9 1 1 A 162 162 ILE H H 785 8.014 7.895 0.119 1
1 1700 . 9 1 1 A 162 162 ILE CA C 785 62.963 64.017 -1.054 1
1 1701 . 9 1 1 A 162 162 ILE HA H 785 3.986 3.376 0.610 1
1 1702 . 9 1 1 A 162 162 ILE CB C 785 37.568 36.719 0.849 1
1 1715 . 9 1 1 A 163 163 ILE N N 786 122.150 122.814 -0.664 1
1 1716 . 9 1 1 A 163 163 ILE H H 786 7.913 8.463 -0.550 1
1 1717 . 9 1 1 A 163 163 ILE CA C 786 64.074 65.138 -1.064 1
1 1718 . 9 1 1 A 163 163 ILE HA H 786 3.947 3.702 0.245 1
1 1719 . 9 1 1 A 163 163 ILE CB C 786 37.561 37.984 -0.423 1
1 1732 . 9 1 1 A 164 164 GLY N N 787 107.177 107.732 -0.555 1
1 1733 . 9 1 1 A 164 164 GLY H H 787 8.057 7.896 0.161 1
1 1734 . 9 1 1 A 164 164 GLY CA C 787 46.938 47.072 -0.134 1
1 1735 . 9 1 1 A 164 164 GLY HA3 H 787 3.907 3.841 0.066 1
1 1736 . 9 1 1 A 164 164 GLY HA2 H 787 4.007 3.792 0.215 1
1 1737 . 9 1 1 A 165 165 LEU N N 788 123.590 123.114 0.476 1
1 1738 . 9 1 1 A 165 165 LEU H H 788 7.676 7.637 0.039 1
1 1739 . 9 1 1 A 165 165 LEU CA C 788 57.738 56.708 1.030 1
1 1740 . 9 1 1 A 165 165 LEU HA H 788 4.052 4.185 -0.133 1
1 1741 . 9 1 1 A 165 165 LEU CB C 788 40.833 41.512 -0.679 1
1 1753 . 9 1 1 A 166 166 GLN N N 789 119.114 118.647 0.467 1
1 1754 . 9 1 1 A 166 166 GLN H H 789 7.956 8.410 -0.454 1
1 1755 . 9 1 1 A 166 166 GLN CA C 789 59.445 59.076 0.369 1
1 1756 . 9 1 1 A 166 166 GLN HA H 789 3.844 3.829 0.015 1
1 1757 . 9 1 1 A 166 166 GLN CB C 789 27.826 27.767 0.059 1
1 1765 . 9 1 1 A 167 167 ARG N N 790 118.851 120.444 -1.593 1
1 1766 . 9 1 1 A 167 167 ARG H H 790 8.387 8.260 0.127 1
1 1767 . 9 1 1 A 167 167 ARG CA C 790 58.942 59.228 -0.286 1
1 1768 . 9 1 1 A 167 167 ARG HA H 790 4.191 4.145 0.046 1
1 1769 . 9 1 1 A 167 167 ARG CB C 790 29.829 30.628 -0.799 1
1 1776 . 9 1 1 A 168 168 PHE N N 791 122.408 121.146 1.262 1
1 1777 . 9 1 1 A 168 168 PHE H H 791 8.127 8.593 -0.466 1
1 1778 . 9 1 1 A 168 168 PHE CA C 791 61.976 61.585 0.391 1
1 1779 . 9 1 1 A 168 168 PHE HA H 791 4.164 4.373 -0.209 1
1 1780 . 9 1 1 A 168 168 PHE CB C 791 38.894 39.196 -0.302 1
1 1788 . 9 1 1 A 169 169 PHE N N 792 119.223 120.623 -1.400 1
1 1789 . 9 1 1 A 169 169 PHE H H 792 8.500 9.135 -0.635 1
1 1790 . 9 1 1 A 169 169 PHE CA C 792 61.093 62.559 -1.466 1
1 1791 . 9 1 1 A 169 169 PHE HA H 792 4.053 4.503 -0.450 1
1 1792 . 9 1 1 A 169 169 PHE CB C 792 39.182 39.848 -0.666 1
1 1800 . 9 1 1 A 170 170 GLU N N 793 119.089 118.291 0.798 1
1 1801 . 9 1 1 A 170 170 GLU H H 793 8.718 8.395 0.323 1
1 1802 . 9 1 1 A 170 170 GLU CA C 793 59.843 59.261 0.582 1
1 1803 . 9 1 1 A 170 170 GLU HA H 793 3.483 3.739 -0.256 1
1 1804 . 9 1 1 A 170 170 GLU CB C 793 29.372 29.148 0.224 1
1 1810 . 9 1 1 A 171 171 THR N N 794 115.081 117.934 -2.853 1
1 1811 . 9 1 1 A 171 171 THR H H 794 8.205 8.208 -0.003 1
1 1812 . 9 1 1 A 171 171 THR CA C 794 66.661 67.035 -0.374 1
1 1813 . 9 1 1 A 171 171 THR HA H 794 3.935 3.761 0.174 1
1 1814 . 9 1 1 A 171 171 THR CB C 794 68.604 68.704 -0.100 1
1 1820 . 9 1 1 A 172 172 ARG N N 795 120.165 119.158 1.007 1
1 1821 . 9 1 1 A 172 172 ARG H H 795 7.776 7.931 -0.155 1
1 1822 . 9 1 1 A 172 172 ARG CA C 795 57.535 59.257 -1.722 1
1 1823 . 9 1 1 A 172 172 ARG HA H 795 4.030 4.103 -0.073 1
1 1824 . 9 1 1 A 172 172 ARG CB C 795 29.886 29.590 0.296 1
1 1828 . 9 1 1 A 173 173 MET N N 796 120.347 119.426 0.921 1
1 1829 . 9 1 1 A 173 173 MET H H 796 8.503 8.088 0.415 1
1 1830 . 9 1 1 A 173 173 MET CA C 796 57.453 57.980 -0.527 1
1 1831 . 9 1 1 A 173 173 MET HA H 796 4.383 4.232 0.151 1
1 1832 . 9 1 1 A 173 173 MET CB C 796 30.469 32.127 -1.658 1
1 1840 . 9 1 1 A 174 174 ASN N N 797 119.200 117.295 1.905 1
1 1841 . 9 1 1 A 174 174 ASN H H 797 8.351 7.645 0.706 1
1 1842 . 9 1 1 A 174 174 ASN CA C 797 55.851 55.295 0.556 1
1 1843 . 9 1 1 A 174 174 ASN HA H 797 4.510 4.719 -0.209 1
1 1844 . 9 1 1 A 174 174 ASN CB C 797 38.213 38.951 -0.738 1
1 1850 . 9 1 1 A 175 175 GLU N N 798 119.589 119.445 0.144 1
1 1851 . 9 1 1 A 175 175 GLU H H 798 7.896 8.739 -0.843 1
1 1852 . 9 1 1 A 175 175 GLU CA C 798 59.033 59.272 -0.239 1
1 1853 . 9 1 1 A 175 175 GLU HA H 798 3.967 4.511 -0.544 1
1 1854 . 9 1 1 A 175 175 GLU CB C 798 29.296 29.442 -0.146 1
1 1860 . 9 1 1 A 176 176 ALA N N 799 116.937 121.613 -4.676 1
1 1861 . 9 1 1 A 176 176 ALA H H 799 8.030 8.231 -0.201 1
1 1862 . 9 1 1 A 176 176 ALA CA C 799 54.179 55.131 -0.952 1
1 1863 . 9 1 1 A 176 176 ALA HA H 799 4.085 4.179 -0.094 1
1 1864 . 9 1 1 A 176 176 ALA CB C 799 19.432 18.681 0.751 1
1 1868 . 9 1 1 A 177 177 PHE N N 800 112.840 115.273 -2.433 1
1 1869 . 9 1 1 A 177 177 PHE H H 800 8.544 7.752 0.792 1
1 1870 . 9 1 1 A 177 177 PHE CA C 800 59.182 58.180 1.002 1
1 1871 . 9 1 1 A 177 177 PHE HA H 800 4.515 4.668 -0.153 1
1 1872 . 9 1 1 A 177 177 PHE CB C 800 39.642 38.126 1.516 1
1 1881 . 9 1 1 A 178 178 GLY N N 801 110.339 107.165 3.174 1
1 1882 . 9 1 1 A 178 178 GLY H H 801 7.974 7.650 0.324 1
1 1883 . 9 1 1 A 178 178 GLY CA C 801 45.607 46.014 -0.407 1
1 1884 . 9 1 1 A 178 178 GLY HA3 H 801 3.988 4.057 -0.069 1
1 1885 . 9 1 1 A 178 178 GLY HA2 H 801 4.031 4.051 -0.020 1
1 1886 . 9 1 1 A 179 179 ASP N N 802 119.627 118.470 1.157 1
1 1887 . 9 1 1 A 179 179 ASP H H 802 8.185 8.393 -0.208 1
1 1888 . 9 1 1 A 179 179 ASP CA C 802 53.949 54.517 -0.568 1
1 1889 . 9 1 1 A 179 179 ASP HA H 802 4.679 4.729 -0.050 1
1 1890 . 9 1 1 A 179 179 ASP CB C 802 41.070 42.895 -1.825 1
1 1892 . 9 1 1 A 180 180 THR N N 803 113.769 112.045 1.724 1
1 1893 . 9 1 1 A 180 180 THR H H 803 8.037 8.272 -0.235 1
1 1894 . 9 1 1 A 180 180 THR CA C 803 61.885 62.843 -0.958 1
1 1895 . 9 1 1 A 180 180 THR HA H 803 4.331 3.802 0.529 1
1 1896 . 9 1 1 A 180 180 THR CB C 803 70.002 68.566 1.436 1
1 1902 . 9 1 1 A 181 181 LYS N N 804 122.277 120.478 1.799 1
1 1903 . 9 1 1 A 181 181 LYS H H 804 8.198 8.285 -0.087 1
1 1904 . 9 1 1 A 181 181 LYS CA C 804 56.652 57.499 -0.847 1
1 1905 . 9 1 1 A 181 181 LYS HA H 804 4.151 4.516 -0.365 1
1 1906 . 9 1 1 A 181 181 LYS CB C 804 32.377 32.289 0.088 1
1 1914 . 9 1 1 A 182 182 PHE N N 805 119.784 119.181 0.603 1
1 1915 . 9 1 1 A 182 182 PHE H H 805 8.206 7.437 0.769 1
1 1916 . 9 1 1 A 182 182 PHE CA C 805 57.256 57.100 0.156 1
1 1917 . 9 1 1 A 182 182 PHE HA H 805 4.664 4.387 0.277 1
1 1918 . 9 1 1 A 182 182 PHE CB C 805 38.774 40.687 -1.913 1
1 1927 . 9 1 1 A 183 183 SER N N 806 123.742 113.925 9.817 1
1 1928 . 9 1 1 A 183 183 SER H H 806 8.121 9.155 -1.034 1
1 1929 . 9 1 1 A 183 183 SER CA C 806 58.203 60.997 -2.794 1
1 1930 . 9 1 1 A 183 183 SER HA H 806 4.361 3.913 0.448 1
1 1931 . 9 1 1 A 183 183 SER CB C 806 63.764 62.834 0.930 1
1 1934 . 9 1 1 A 184 184 ALA N N 807 125.704 119.946 5.758 1
1 1935 . 9 1 1 A 184 184 ALA H H 807 8.286 6.214 2.072 1
1 1936 . 9 1 1 A 184 184 ALA CA C 807 52.574 53.225 -0.651 1
1 1937 . 9 1 1 A 184 184 ALA HA H 807 4.360 3.274 1.086 1
1 1938 . 9 1 1 A 184 184 ALA CB C 807 18.947 18.069 0.878 1
1 1942 . 9 1 1 A 185 185 VAL N N 808 118.271 116.791 1.480 1
1 1943 . 9 1 1 A 185 185 VAL H H 808 7.958 7.476 0.482 1
1 1944 . 9 1 1 A 185 185 VAL CA C 808 62.216 61.967 0.249 1
1 1945 . 9 1 1 A 185 185 VAL HA H 808 4.151 4.247 -0.096 1
1 1946 . 9 1 1 A 185 185 VAL CB C 808 32.178 31.420 0.758 1
1 1952 . 9 1 1 A 186 186 LEU N N 809 125.280 120.722 4.558 1
1 1953 . 9 1 1 A 186 186 LEU H H 809 8.195 7.333 0.862 1
1 1954 . 9 1 1 A 186 186 LEU CA C 809 54.474 54.528 -0.054 1
1 1955 . 9 1 1 A 186 186 LEU HA H 809 4.430 4.461 -0.031 1
1 1956 . 9 1 1 A 186 186 LEU CB C 809 42.303 42.063 0.240 1
1 1968 . 9 1 1 A 187 187 VAL N N 810 120.937 118.889 2.048 1
1 1969 . 9 1 1 A 187 187 VAL H H 810 7.985 7.856 0.129 1
1 1970 . 9 1 1 A 187 187 VAL CA C 810 62.004 61.285 0.719 1
1 1971 . 9 1 1 A 187 187 VAL HA H 810 4.155 4.391 -0.236 1
1 1972 . 9 1 1 A 187 187 VAL CB C 810 32.602 32.621 -0.019 1
1 1979 . 9 1 1 A 188 188 GLU N N 811 126.353 123.971 2.382 1
1 1980 . 9 1 1 A 188 188 GLU H H 811 8.292 7.422 0.870 1
1 1981 . 9 1 1 A 188 188 GLU CA C 811 54.162 54.756 -0.594 1
1 1982 . 9 1 1 A 188 188 GLU HA H 811 4.609 4.373 0.236 1
1 1983 . 9 1 1 A 188 188 GLU CB C 811 29.775 30.868 -1.093 1
1 1 . 10 1 1 A 2 2 ALA CA C 625 52.969 51.220 1.749 1
1 2 . 10 1 1 A 2 2 ALA HA H 625 4.493 4.459 0.034 1
1 3 . 10 1 1 A 2 2 ALA CB C 625 19.272 20.910 -1.638 1
1 7 . 10 1 1 A 3 3 THR N N 626 113.570 108.327 5.243 1
1 8 . 10 1 1 A 3 3 THR H H 626 8.176 8.239 -0.063 1
1 9 . 10 1 1 A 3 3 THR CA C 626 61.314 65.604 -4.290 1
1 10 . 10 1 1 A 3 3 THR HA H 626 4.298 4.091 0.207 1
1 11 . 10 1 1 A 3 3 THR CB C 626 69.270 67.197 2.073 1
1 17 . 10 1 1 A 4 4 ILE N N 627 115.272 119.427 -4.155 1
1 18 . 10 1 1 A 4 4 ILE H H 627 7.549 8.633 -1.084 1
1 19 . 10 1 1 A 4 4 ILE CA C 627 58.731 61.635 -2.904 1
1 20 . 10 1 1 A 4 4 ILE HA H 627 4.258 3.872 0.386 1
1 21 . 10 1 1 A 4 4 ILE CB C 627 42.246 36.733 5.513 1
1 34 . 10 1 1 A 5 5 CYS N N 628 124.095 125.201 -1.106 1
1 35 . 10 1 1 A 5 5 CYS H H 628 7.766 8.413 -0.647 1
1 36 . 10 1 1 A 5 5 CYS CA C 628 57.978 59.010 -1.032 1
1 37 . 10 1 1 A 5 5 CYS HA H 628 3.781 4.545 -0.764 1
1 38 . 10 1 1 A 5 5 CYS CB C 628 31.436 27.784 3.652 1
1 41 . 10 1 1 A 6 6 ARG N N 629 129.928 127.969 1.959 1
1 42 . 10 1 1 A 6 6 ARG H H 629 9.040 8.197 0.843 1
1 43 . 10 1 1 A 6 6 ARG CA C 629 57.514 59.481 -1.967 1
1 44 . 10 1 1 A 6 6 ARG HA H 629 3.900 3.708 0.192 1
1 45 . 10 1 1 A 6 6 ARG CB C 629 30.251 29.497 0.754 1
1 54 . 10 1 1 A 7 7 VAL N N 630 118.166 119.330 -1.164 1
1 55 . 10 1 1 A 7 7 VAL H H 630 8.734 7.827 0.907 1
1 56 . 10 1 1 A 7 7 VAL CA C 630 65.770 66.790 -1.020 1
1 57 . 10 1 1 A 7 7 VAL HA H 630 4.137 3.778 0.359 1
1 58 . 10 1 1 A 7 7 VAL CB C 630 33.079 31.733 1.346 1
1 68 . 10 1 1 A 8 8 CYS N N 631 116.148 115.179 0.969 1
1 69 . 10 1 1 A 8 8 CYS H H 631 8.143 7.732 0.411 1
1 70 . 10 1 1 A 8 8 CYS CA C 631 59.154 58.670 0.484 1
1 71 . 10 1 1 A 8 8 CYS HA H 631 5.105 4.552 0.553 1
1 72 . 10 1 1 A 8 8 CYS CB C 631 31.184 27.619 3.565 1
1 75 . 10 1 1 A 9 9 GLN N N 632 115.248 115.858 -0.610 1
1 76 . 10 1 1 A 9 9 GLN H H 632 8.132 9.191 -1.059 1
1 77 . 10 1 1 A 9 9 GLN CA C 632 57.404 57.060 0.344 1
1 78 . 10 1 1 A 9 9 GLN HA H 632 4.068 3.820 0.248 1
1 79 . 10 1 1 A 9 9 GLN CB C 632 26.002 26.204 -0.202 1
1 88 . 10 1 1 A 10 10 LYS N N 633 118.420 119.665 -1.245 1
1 89 . 10 1 1 A 10 10 LYS H H 633 8.091 7.510 0.581 1
1 90 . 10 1 1 A 10 10 LYS CA C 633 53.835 53.304 0.531 1
1 91 . 10 1 1 A 10 10 LYS HA H 633 5.046 4.575 0.471 1
1 92 . 10 1 1 A 10 10 LYS CB C 633 33.312 32.732 0.580 1
1 102 . 10 1 1 A 11 11 PRO CA C 634 62.136 63.662 -1.526 1
1 103 . 10 1 1 A 11 11 PRO HA H 634 5.056 4.224 0.832 1
1 104 . 10 1 1 A 11 11 PRO CB C 634 33.061 32.280 0.781 1
1 112 . 10 1 1 A 12 12 GLY N N 635 106.958 110.559 -3.601 1
1 113 . 10 1 1 A 12 12 GLY H H 635 8.475 8.511 -0.036 1
1 114 . 10 1 1 A 12 12 GLY CA C 635 45.303 44.793 0.510 1
1 115 . 10 1 1 A 12 12 GLY HA3 H 635 3.812 4.079 -0.267 1
1 116 . 10 1 1 A 12 12 GLY HA2 H 635 4.438 4.044 0.394 1
1 117 . 10 1 1 A 13 13 ASP N N 636 124.001 118.044 5.957 1
1 118 . 10 1 1 A 13 13 ASP H H 636 8.729 8.861 -0.132 1
1 119 . 10 1 1 A 13 13 ASP CA C 636 54.239 55.045 -0.806 1
1 120 . 10 1 1 A 13 13 ASP HA H 636 4.656 4.325 0.331 1
1 121 . 10 1 1 A 13 13 ASP CB C 636 39.425 39.750 -0.325 1
1 124 . 10 1 1 A 14 14 LEU N N 637 121.435 119.308 2.127 1
1 125 . 10 1 1 A 14 14 LEU H H 637 7.849 7.979 -0.130 1
1 126 . 10 1 1 A 14 14 LEU CA C 637 53.306 54.365 -1.059 1
1 127 . 10 1 1 A 14 14 LEU HA H 637 4.546 4.639 -0.093 1
1 128 . 10 1 1 A 14 14 LEU CB C 637 44.117 42.823 1.294 1
1 141 . 10 1 1 A 15 15 VAL N N 638 118.100 120.675 -2.575 1
1 142 . 10 1 1 A 15 15 VAL H H 638 8.703 8.890 -0.187 1
1 143 . 10 1 1 A 15 15 VAL CA C 638 59.865 60.136 -0.271 1
1 144 . 10 1 1 A 15 15 VAL HA H 638 4.383 4.781 -0.398 1
1 145 . 10 1 1 A 15 15 VAL CB C 638 33.305 34.572 -1.267 1
1 155 . 10 1 1 A 16 16 MET N N 639 125.271 129.868 -4.597 1
1 156 . 10 1 1 A 16 16 MET H H 639 8.519 9.112 -0.593 1
1 157 . 10 1 1 A 16 16 MET CA C 639 54.122 54.412 -0.290 1
1 158 . 10 1 1 A 16 16 MET HA H 639 5.210 5.360 -0.150 1
1 159 . 10 1 1 A 16 16 MET CB C 639 36.310 34.446 1.864 1
1 169 . 10 1 1 A 17 17 CYS N N 640 129.455 125.034 4.421 1
1 170 . 10 1 1 A 17 17 CYS H H 640 9.139 8.895 0.244 1
1 171 . 10 1 1 A 17 17 CYS CA C 640 59.996 59.963 0.033 1
1 172 . 10 1 1 A 17 17 CYS HA H 640 4.658 4.274 0.384 1
1 173 . 10 1 1 A 17 17 CYS CB C 640 31.238 28.822 2.416 1
1 176 . 10 1 1 A 18 18 ASN N N 641 128.271 126.020 2.251 1
1 177 . 10 1 1 A 18 18 ASN H H 641 8.914 9.002 -0.088 1
1 178 . 10 1 1 A 18 18 ASN CA C 641 55.658 54.287 1.371 1
1 179 . 10 1 1 A 18 18 ASN HA H 641 4.584 4.633 -0.049 1
1 180 . 10 1 1 A 18 18 ASN CB C 641 38.955 36.822 2.133 1
1 186 . 10 1 1 A 19 19 GLN N N 642 121.426 116.924 4.502 1
1 187 . 10 1 1 A 19 19 GLN H H 642 9.313 7.929 1.384 1
1 188 . 10 1 1 A 19 19 GLN CA C 642 57.971 56.541 1.430 1
1 189 . 10 1 1 A 19 19 GLN HA H 642 4.502 4.496 0.006 1
1 190 . 10 1 1 A 19 19 GLN CB C 642 30.466 31.007 -0.541 1
1 197 . 10 1 1 A 20 20 CYS N N 643 120.207 115.254 4.953 1
1 198 . 10 1 1 A 20 20 CYS H H 643 8.542 7.656 0.886 1
1 199 . 10 1 1 A 20 20 CYS CA C 643 59.473 60.069 -0.596 1
1 200 . 10 1 1 A 20 20 CYS HA H 643 4.663 4.718 -0.055 1
1 201 . 10 1 1 A 20 20 CYS CB C 643 31.889 29.280 2.609 1
1 204 . 10 1 1 A 21 21 GLU N N 644 114.113 117.130 -3.017 1
1 205 . 10 1 1 A 21 21 GLU H H 644 7.441 7.902 -0.461 1
1 206 . 10 1 1 A 21 21 GLU CA C 644 57.994 57.113 0.881 1
1 207 . 10 1 1 A 21 21 GLU HA H 644 4.285 4.476 -0.191 1
1 208 . 10 1 1 A 21 21 GLU CB C 644 26.843 31.223 -4.380 1
1 214 . 10 1 1 A 22 22 PHE N N 645 120.911 121.180 -0.269 1
1 215 . 10 1 1 A 22 22 PHE H H 645 8.941 7.847 1.094 1
1 216 . 10 1 1 A 22 22 PHE CA C 645 57.356 58.711 -1.355 1
1 217 . 10 1 1 A 22 22 PHE HA H 645 4.777 4.415 0.362 1
1 218 . 10 1 1 A 22 22 PHE CB C 645 38.709 39.667 -0.958 1
1 226 . 10 1 1 A 23 23 CYS N N 646 115.830 118.762 -2.932 1
1 227 . 10 1 1 A 23 23 CYS H H 646 8.137 8.639 -0.502 1
1 228 . 10 1 1 A 23 23 CYS CA C 646 56.600 58.190 -1.590 1
1 229 . 10 1 1 A 23 23 CYS HA H 646 5.813 5.514 0.299 1
1 230 . 10 1 1 A 23 23 CYS CB C 646 30.951 32.010 -1.059 1
1 233 . 10 1 1 A 24 24 PHE N N 647 116.053 120.275 -4.222 1
1 234 . 10 1 1 A 24 24 PHE H H 647 9.011 9.089 -0.078 1
1 235 . 10 1 1 A 24 24 PHE CA C 647 56.827 56.743 0.084 1
1 236 . 10 1 1 A 24 24 PHE HA H 647 5.910 4.893 1.017 1
1 237 . 10 1 1 A 24 24 PHE CB C 647 44.608 42.816 1.792 1
1 246 . 10 1 1 A 25 25 HIS N N 648 120.957 122.332 -1.375 1
1 247 . 10 1 1 A 25 25 HIS H H 648 8.427 9.141 -0.714 1
1 248 . 10 1 1 A 25 25 HIS CA C 648 58.971 57.175 1.796 1
1 249 . 10 1 1 A 25 25 HIS HA H 648 4.929 4.738 0.191 1
1 250 . 10 1 1 A 25 25 HIS CB C 648 31.178 29.859 1.319 1
1 257 . 10 1 1 A 26 26 LEU N N 649 123.176 117.293 5.883 1
1 258 . 10 1 1 A 26 26 LEU H H 649 9.369 7.983 1.386 1
1 259 . 10 1 1 A 26 26 LEU CA C 649 59.646 57.585 2.061 1
1 260 . 10 1 1 A 26 26 LEU HA H 649 3.829 3.718 0.111 1
1 261 . 10 1 1 A 26 26 LEU CB C 649 39.426 40.070 -0.644 1
1 274 . 10 1 1 A 27 27 ASP N N 650 109.058 119.774 -10.716 1
1 275 . 10 1 1 A 27 27 ASP H H 650 8.326 9.007 -0.681 1
1 276 . 10 1 1 A 27 27 ASP CA C 650 53.998 58.095 -4.097 1
1 277 . 10 1 1 A 27 27 ASP HA H 650 4.739 4.321 0.418 1
1 278 . 10 1 1 A 27 27 ASP CB C 650 40.331 41.634 -1.303 1
1 280 . 10 1 1 A 28 28 CYS N N 651 117.495 116.333 1.162 1
1 281 . 10 1 1 A 28 28 CYS H H 651 7.480 8.146 -0.666 1
1 282 . 10 1 1 A 28 28 CYS CA C 651 61.534 60.582 0.952 1
1 283 . 10 1 1 A 28 28 CYS HA H 651 4.245 4.292 -0.047 1
1 284 . 10 1 1 A 28 28 CYS CB C 651 31.646 26.990 4.656 1
1 286 . 10 1 1 A 29 29 HIS N N 652 116.384 122.767 -6.383 1
1 287 . 10 1 1 A 29 29 HIS H H 652 6.894 7.732 -0.838 1
1 288 . 10 1 1 A 29 29 HIS CA C 652 59.713 57.453 2.260 1
1 289 . 10 1 1 A 29 29 HIS HA H 652 3.644 4.426 -0.782 1
1 290 . 10 1 1 A 29 29 HIS CB C 652 27.909 30.636 -2.727 1
1 296 . 10 1 1 A 30 30 LEU N N 653 121.110 126.381 -5.271 1
1 297 . 10 1 1 A 30 30 LEU H H 653 4.525 8.546 -4.021 1
1 298 . 10 1 1 A 30 30 LEU CA C 653 51.439 59.493 -8.054 1
1 299 . 10 1 1 A 30 30 LEU HA H 653 4.515 3.529 0.986 1
1 300 . 10 1 1 A 30 30 LEU CB C 653 46.001 40.723 5.278 1
1 312 . 10 1 1 A 31 31 PRO CA C 654 62.964 63.413 -0.449 1
1 313 . 10 1 1 A 31 31 PRO HA H 654 4.471 4.413 0.058 1
1 314 . 10 1 1 A 31 31 PRO CB C 654 34.045 32.569 1.476 1
1 322 . 10 1 1 A 32 32 ALA N N 655 125.871 119.630 6.241 1
1 323 . 10 1 1 A 32 32 ALA H H 655 8.766 8.064 0.702 1
1 324 . 10 1 1 A 32 32 ALA CA C 655 52.771 52.816 -0.045 1
1 325 . 10 1 1 A 32 32 ALA HA H 655 4.349 4.400 -0.051 1
1 326 . 10 1 1 A 32 32 ALA CB C 655 18.177 18.025 0.152 1
1 330 . 10 1 1 A 33 33 LEU N N 656 123.348 124.300 -0.952 1
1 331 . 10 1 1 A 33 33 LEU H H 656 8.230 8.961 -0.731 1
1 332 . 10 1 1 A 33 33 LEU CA C 656 54.014 54.583 -0.569 1
1 333 . 10 1 1 A 33 33 LEU HA H 656 4.445 4.328 0.117 1
1 334 . 10 1 1 A 33 33 LEU CB C 656 43.197 42.498 0.699 1
1 347 . 10 1 1 A 34 34 GLN N N 657 119.992 119.358 0.634 1
1 348 . 10 1 1 A 34 34 GLN H H 657 8.679 8.776 -0.097 1
1 349 . 10 1 1 A 34 34 GLN CA C 657 56.354 56.858 -0.504 1
1 350 . 10 1 1 A 34 34 GLN HA H 657 4.159 4.492 -0.333 1
1 351 . 10 1 1 A 34 34 GLN CB C 657 29.555 30.757 -1.202 1
1 359 . 10 1 1 A 35 35 ASP N N 658 115.420 117.325 -1.905 1
1 360 . 10 1 1 A 35 35 ASP H H 658 7.457 7.497 -0.040 1
1 361 . 10 1 1 A 35 35 ASP CA C 658 51.696 55.606 -3.910 1
1 362 . 10 1 1 A 35 35 ASP HA H 658 4.626 4.701 -0.075 1
1 363 . 10 1 1 A 35 35 ASP CB C 658 43.431 40.447 2.984 1
1 366 . 10 1 1 A 36 36 VAL N N 659 122.099 115.280 6.819 1
1 367 . 10 1 1 A 36 36 VAL H H 659 8.624 7.332 1.292 1
1 368 . 10 1 1 A 36 36 VAL CA C 659 60.994 59.721 1.273 1
1 369 . 10 1 1 A 36 36 VAL HA H 659 3.752 4.249 -0.497 1
1 370 . 10 1 1 A 36 36 VAL CB C 659 32.087 34.304 -2.217 1
1 380 . 10 1 1 A 37 37 PRO CA C 660 62.728 63.317 -0.589 1
1 381 . 10 1 1 A 37 37 PRO HA H 660 4.454 4.732 -0.278 1
1 382 . 10 1 1 A 37 37 PRO CB C 660 32.835 31.289 1.546 1
1 391 . 10 1 1 A 38 38 GLY N N 661 106.940 108.967 -2.027 1
1 392 . 10 1 1 A 38 38 GLY H H 661 8.189 7.941 0.248 1
1 393 . 10 1 1 A 38 38 GLY CA C 661 44.397 45.429 -1.032 1
1 394 . 10 1 1 A 38 38 GLY HA3 H 661 3.969 3.941 0.028 1
1 395 . 10 1 1 A 38 38 GLY HA2 H 661 4.190 3.919 0.271 1
1 396 . 10 1 1 A 39 39 GLU N N 662 117.365 112.676 4.689 1
1 397 . 10 1 1 A 39 39 GLU H H 662 8.281 8.484 -0.203 1
1 398 . 10 1 1 A 39 39 GLU CA C 662 57.520 58.112 -0.592 1
1 399 . 10 1 1 A 39 39 GLU HA H 662 4.281 4.040 0.241 1
1 400 . 10 1 1 A 39 39 GLU CB C 662 30.013 27.797 2.216 1
1 405 . 10 1 1 A 40 40 GLU N N 663 117.986 117.557 0.429 1
1 406 . 10 1 1 A 40 40 GLU H H 663 8.697 8.234 0.463 1
1 407 . 10 1 1 A 40 40 GLU CA C 663 56.389 56.324 0.065 1
1 408 . 10 1 1 A 40 40 GLU HA H 663 4.293 4.497 -0.204 1
1 409 . 10 1 1 A 40 40 GLU CB C 663 28.787 30.260 -1.473 1
1 414 . 10 1 1 A 41 41 TRP N N 664 124.391 124.749 -0.358 1
1 415 . 10 1 1 A 41 41 TRP H H 664 7.967 7.659 0.308 1
1 416 . 10 1 1 A 41 41 TRP CA C 664 59.934 58.253 1.681 1
1 417 . 10 1 1 A 41 41 TRP HA H 664 4.312 4.539 -0.227 1
1 418 . 10 1 1 A 41 41 TRP CB C 664 29.998 30.288 -0.290 1
1 432 . 10 1 1 A 42 42 SER N N 665 120.355 114.447 5.908 1
1 433 . 10 1 1 A 42 42 SER H H 665 6.873 7.601 -0.728 1
1 434 . 10 1 1 A 42 42 SER CA C 665 55.166 55.801 -0.635 1
1 435 . 10 1 1 A 42 42 SER HA H 665 5.259 4.797 0.462 1
1 436 . 10 1 1 A 42 42 SER CB C 665 65.990 63.072 2.918 1
1 439 . 10 1 1 A 43 43 CYS N N 666 125.642 120.265 5.377 1
1 440 . 10 1 1 A 43 43 CYS H H 666 9.271 7.463 1.808 1
1 441 . 10 1 1 A 43 43 CYS CA C 666 57.325 60.348 -3.023 1
1 442 . 10 1 1 A 43 43 CYS HA H 666 3.952 2.821 1.131 1
1 443 . 10 1 1 A 43 43 CYS CB C 666 34.022 26.049 7.973 1
1 446 . 10 1 1 A 44 44 SER N N 667 117.158 116.525 0.633 1
1 447 . 10 1 1 A 44 44 SER H H 667 7.068 8.376 -1.308 1
1 448 . 10 1 1 A 44 44 SER CA C 667 61.353 58.185 3.168 1
1 449 . 10 1 1 A 44 44 SER HA H 667 4.225 4.735 -0.510 1
1 450 . 10 1 1 A 44 44 SER CB C 667 63.693 64.063 -0.370 1
1 453 . 10 1 1 A 45 45 LEU N N 668 120.667 119.513 1.154 1
1 454 . 10 1 1 A 45 45 LEU H H 668 8.965 7.310 1.655 1
1 455 . 10 1 1 A 45 45 LEU CA C 668 57.416 54.886 2.530 1
1 456 . 10 1 1 A 45 45 LEU HA H 668 4.178 3.951 0.227 1
1 457 . 10 1 1 A 45 45 LEU CB C 668 40.611 42.572 -1.961 1
1 470 . 10 1 1 A 46 46 CYS N N 669 121.872 116.672 5.200 1
1 471 . 10 1 1 A 46 46 CYS H H 669 7.816 7.740 0.076 1
1 472 . 10 1 1 A 46 46 CYS CA C 669 62.557 59.889 2.668 1
1 473 . 10 1 1 A 46 46 CYS HA H 669 3.969 4.396 -0.427 1
1 474 . 10 1 1 A 46 46 CYS CB C 669 30.467 28.311 2.156 1
1 477 . 10 1 1 A 47 47 HIS N N 670 119.396 120.085 -0.689 1
1 478 . 10 1 1 A 47 47 HIS H H 670 8.077 7.681 0.396 1
1 479 . 10 1 1 A 47 47 HIS CA C 670 55.625 58.107 -2.482 1
1 480 . 10 1 1 A 47 47 HIS HA H 670 4.429 4.637 -0.208 1
1 481 . 10 1 1 A 47 47 HIS CB C 670 30.326 31.615 -1.289 1
1 488 . 10 1 1 A 48 48 VAL N N 671 123.528 118.476 5.052 1
1 489 . 10 1 1 A 48 48 VAL H H 671 7.978 7.992 -0.014 1
1 490 . 10 1 1 A 48 48 VAL CA C 671 62.120 63.894 -1.774 1
1 491 . 10 1 1 A 48 48 VAL HA H 671 3.925 3.646 0.279 1
1 492 . 10 1 1 A 48 48 VAL CB C 671 32.396 31.118 1.278 1
1 502 . 10 1 1 A 49 49 LEU N N 672 126.622 123.519 3.103 1
1 503 . 10 1 1 A 49 49 LEU H H 672 8.139 7.747 0.392 1
1 504 . 10 1 1 A 49 49 LEU CA C 672 52.859 52.169 0.690 1
1 505 . 10 1 1 A 49 49 LEU HA H 672 4.475 4.563 -0.088 1
1 506 . 10 1 1 A 49 49 LEU CB C 672 41.536 41.946 -0.410 1
1 518 . 10 1 1 A 50 50 PRO CA C 673 62.715 66.142 -3.427 1
1 519 . 10 1 1 A 50 50 PRO HA H 673 4.386 4.375 0.011 1
1 520 . 10 1 1 A 50 50 PRO CB C 673 32.093 31.259 0.834 1
1 528 . 10 1 1 A 51 51 ASP N N 674 120.540 115.738 4.802 1
1 529 . 10 1 1 A 51 51 ASP H H 674 8.307 8.087 0.220 1
1 530 . 10 1 1 A 51 51 ASP CA C 674 54.202 53.208 0.994 1
1 531 . 10 1 1 A 51 51 ASP HA H 674 4.564 4.939 -0.375 1
1 532 . 10 1 1 A 51 51 ASP CB C 674 41.030 43.185 -2.155 1
1 535 . 10 1 1 A 52 52 LEU N N 675 122.987 122.214 0.773 1
1 536 . 10 1 1 A 52 52 LEU H H 675 8.053 7.395 0.658 1
1 537 . 10 1 1 A 52 52 LEU CA C 675 54.945 55.837 -0.892 1
1 538 . 10 1 1 A 52 52 LEU HA H 675 4.364 4.134 0.230 1
1 539 . 10 1 1 A 52 52 LEU CB C 675 42.436 42.160 0.276 1
1 551 . 10 1 1 A 53 53 LYS N N 676 122.061 125.117 -3.056 1
1 552 . 10 1 1 A 53 53 LYS H H 676 8.340 8.663 -0.323 1
1 553 . 10 1 1 A 53 53 LYS CA C 676 56.060 59.521 -3.461 1
1 554 . 10 1 1 A 53 53 LYS HA H 676 4.331 4.003 0.328 1
1 555 . 10 1 1 A 53 53 LYS CB C 676 32.363 31.933 0.430 1
1 564 . 10 1 1 A 54 54 GLU N N 677 121.909 115.230 6.679 1
1 565 . 10 1 1 A 54 54 GLU H H 677 8.403 7.937 0.466 1
1 566 . 10 1 1 A 54 54 GLU CA C 677 56.586 57.590 -1.004 1
1 567 . 10 1 1 A 54 54 GLU HA H 677 4.312 3.974 0.338 1
1 568 . 10 1 1 A 54 54 GLU CB C 677 30.221 27.642 2.579 1
1 573 . 10 1 1 A 55 55 GLU N N 678 121.528 118.969 2.559 1
1 574 . 10 1 1 A 55 55 GLU H H 678 8.486 8.192 0.294 1
1 575 . 10 1 1 A 55 55 GLU CA C 678 56.368 59.143 -2.775 1
1 576 . 10 1 1 A 55 55 GLU HA H 678 4.315 4.037 0.278 1
1 577 . 10 1 1 A 55 55 GLU CB C 678 28.896 29.782 -0.886 1
1 582 . 10 1 1 A 56 56 ASP N N 679 121.530 119.538 1.992 1
1 583 . 10 1 1 A 56 56 ASP H H 679 8.322 8.242 0.080 1
1 584 . 10 1 1 A 56 56 ASP CA C 679 54.252 54.946 -0.694 1
1 585 . 10 1 1 A 56 56 ASP HA H 679 4.680 4.512 0.168 1
1 586 . 10 1 1 A 56 56 ASP CB C 679 41.146 38.593 2.553 1
1 588 . 10 1 1 A 57 57 GLY N N 680 109.997 109.527 0.470 1
1 589 . 10 1 1 A 57 57 GLY H H 680 8.412 8.077 0.335 1
1 590 . 10 1 1 A 57 57 GLY CA C 680 45.247 46.817 -1.570 1
1 591 . 10 1 1 A 57 57 GLY HA2 H 680 4.020 3.942 0.078 1
1 592 . 10 1 1 A 58 58 SER N N 681 115.994 112.739 3.255 1
1 593 . 10 1 1 A 58 58 SER H H 681 8.280 7.730 0.550 1
1 594 . 10 1 1 A 58 58 SER CA C 681 58.239 57.844 0.395 1
1 595 . 10 1 1 A 58 58 SER HA H 681 3.996 4.614 -0.618 1
1 596 . 10 1 1 A 58 58 SER CB C 681 63.789 64.747 -0.958 1
1 598 . 10 1 1 A 59 59 LEU N N 682 123.362 123.199 0.163 1
1 599 . 10 1 1 A 59 59 LEU H H 682 8.164 7.414 0.750 1
1 600 . 10 1 1 A 59 59 LEU CA C 682 55.160 54.464 0.696 1
1 601 . 10 1 1 A 59 59 LEU HA H 682 4.427 4.870 -0.443 1
1 602 . 10 1 1 A 59 59 LEU CB C 682 42.473 44.607 -2.134 1
1 614 . 10 1 1 A 60 60 SER N N 683 116.385 120.321 -3.936 1
1 615 . 10 1 1 A 60 60 SER H H 683 8.226 8.364 -0.138 1
1 616 . 10 1 1 A 60 60 SER CA C 683 58.004 57.488 0.516 1
1 617 . 10 1 1 A 60 60 SER HA H 683 4.517 4.768 -0.251 1
1 618 . 10 1 1 A 60 60 SER CB C 683 63.651 63.628 0.023 1
1 620 . 10 1 1 A 61 61 LEU N N 684 124.466 123.395 1.071 1
1 621 . 10 1 1 A 61 61 LEU H H 684 8.303 8.124 0.179 1
1 622 . 10 1 1 A 61 61 LEU CA C 684 54.959 57.419 -2.460 1
1 623 . 10 1 1 A 61 61 LEU HA H 684 4.412 4.136 0.276 1
1 624 . 10 1 1 A 61 61 LEU CB C 684 41.713 41.953 -0.240 1
1 635 . 10 1 1 A 62 62 ASP N N 685 120.536 117.910 2.626 1
1 636 . 10 1 1 A 62 62 ASP H H 685 8.267 7.704 0.563 1
1 637 . 10 1 1 A 62 62 ASP CA C 685 54.276 54.105 0.171 1
1 638 . 10 1 1 A 62 62 ASP HA H 685 4.680 4.830 -0.150 1
1 639 . 10 1 1 A 62 62 ASP CB C 685 41.125 43.465 -2.340 1
1 642 . 10 1 1 A 63 63 GLY N N 686 109.373 114.584 -5.211 1
1 643 . 10 1 1 A 63 63 GLY H H 686 8.277 9.081 -0.804 1
1 644 . 10 1 1 A 63 63 GLY CA C 686 45.297 46.773 -1.476 1
1 645 . 10 1 1 A 63 63 GLY HA2 H 686 3.992 3.989 0.003 1
1 646 . 10 1 1 A 64 64 ALA N N 687 123.584 122.899 0.685 1
1 647 . 10 1 1 A 64 64 ALA H H 687 8.129 7.534 0.595 1
1 648 . 10 1 1 A 64 64 ALA CA C 687 52.637 52.863 -0.226 1
1 649 . 10 1 1 A 64 64 ALA HA H 687 4.379 4.464 -0.085 1
1 650 . 10 1 1 A 64 64 ALA CB C 687 19.122 19.624 -0.502 1
1 654 . 10 1 1 A 65 65 ASP N N 688 118.924 114.667 4.257 1
1 655 . 10 1 1 A 65 65 ASP H H 688 8.326 7.714 0.612 1
1 656 . 10 1 1 A 65 65 ASP CA C 688 53.972 55.678 -1.706 1
1 657 . 10 1 1 A 65 65 ASP HA H 688 4.682 4.894 -0.212 1
1 658 . 10 1 1 A 65 65 ASP CB C 688 41.061 42.360 -1.299 1
1 660 . 10 1 1 A 66 66 SER N N 689 116.036 111.220 4.816 1
1 661 . 10 1 1 A 66 66 SER H H 689 8.285 8.288 -0.003 1
1 662 . 10 1 1 A 66 66 SER CA C 689 58.352 58.651 -0.299 1
1 663 . 10 1 1 A 66 66 SER HA H 689 4.443 4.645 -0.202 1
1 664 . 10 1 1 A 66 66 SER CB C 689 63.665 64.262 -0.597 1
1 666 . 10 1 1 A 67 67 THR N N 690 115.059 113.090 1.969 1
1 667 . 10 1 1 A 67 67 THR H H 690 8.253 8.016 0.237 1
1 668 . 10 1 1 A 67 67 THR CA C 690 62.556 63.092 -0.536 1
1 669 . 10 1 1 A 67 67 THR HA H 690 4.379 4.479 -0.100 1
1 670 . 10 1 1 A 67 67 THR CB C 690 69.623 71.296 -1.673 1
1 676 . 10 1 1 A 68 68 GLY N N 691 111.091 107.316 3.775 1
1 677 . 10 1 1 A 68 68 GLY H H 691 8.366 7.929 0.437 1
1 678 . 10 1 1 A 68 68 GLY CA C 691 45.297 44.782 0.515 1
1 679 . 10 1 1 A 68 68 GLY HA2 H 691 4.002 4.203 -0.201 1
1 680 . 10 1 1 A 69 69 VAL N N 692 119.280 124.776 -5.496 1
1 681 . 10 1 1 A 69 69 VAL H H 692 7.876 8.798 -0.922 1
1 682 . 10 1 1 A 69 69 VAL CA C 692 62.068 63.650 -1.582 1
1 683 . 10 1 1 A 69 69 VAL HA H 692 4.176 4.201 -0.025 1
1 684 . 10 1 1 A 69 69 VAL CB C 692 32.322 32.169 0.153 1
1 690 . 10 1 1 A 70 70 VAL N N 693 123.601 120.918 2.683 1
1 691 . 10 1 1 A 70 70 VAL H H 693 8.102 7.889 0.213 1
1 692 . 10 1 1 A 70 70 VAL CA C 693 61.886 63.204 -1.318 1
1 693 . 10 1 1 A 70 70 VAL HA H 693 4.150 4.411 -0.261 1
1 694 . 10 1 1 A 70 70 VAL CB C 693 32.429 34.504 -2.075 1
1 700 . 10 1 1 A 71 71 ALA N N 694 129.048 123.436 5.612 1
1 701 . 10 1 1 A 71 71 ALA H H 694 8.374 8.098 0.276 1
1 702 . 10 1 1 A 71 71 ALA CA C 694 52.125 53.266 -1.141 1
1 703 . 10 1 1 A 71 71 ALA HA H 694 4.454 4.071 0.383 1
1 704 . 10 1 1 A 71 71 ALA CB C 694 19.203 17.498 1.705 1
1 708 . 10 1 1 A 72 72 LYS N N 695 118.535 117.456 1.079 1
1 709 . 10 1 1 A 72 72 LYS H H 695 7.833 7.825 0.008 1
1 710 . 10 1 1 A 72 72 LYS CA C 695 54.556 58.711 -4.155 1
1 711 . 10 1 1 A 72 72 LYS HA H 695 4.827 4.160 0.667 1
1 712 . 10 1 1 A 72 72 LYS CB C 695 35.245 33.114 2.131 1
1 722 . 10 1 1 A 73 73 LEU N N 696 121.834 119.457 2.377 1
1 723 . 10 1 1 A 73 73 LEU H H 696 8.772 7.960 0.812 1
1 724 . 10 1 1 A 73 73 LEU CA C 696 54.973 56.648 -1.675 1
1 725 . 10 1 1 A 73 73 LEU HA H 696 4.268 4.440 -0.172 1
1 726 . 10 1 1 A 73 73 LEU CB C 696 42.467 44.111 -1.644 1
1 739 . 10 1 1 A 74 74 SER N N 697 121.120 113.499 7.621 1
1 740 . 10 1 1 A 74 74 SER H H 697 8.890 7.867 1.023 1
1 741 . 10 1 1 A 74 74 SER CA C 697 56.165 57.786 -1.621 1
1 742 . 10 1 1 A 74 74 SER HA H 697 4.710 4.599 0.111 1
1 743 . 10 1 1 A 74 74 SER CB C 697 62.177 65.225 -3.048 1
1 745 . 10 1 1 A 75 75 PRO CA C 698 66.251 65.840 0.411 1
1 746 . 10 1 1 A 75 75 PRO HA H 698 4.350 4.330 0.020 1
1 747 . 10 1 1 A 75 75 PRO CB C 698 31.661 31.615 0.046 1
1 755 . 10 1 1 A 76 76 ALA N N 699 117.914 118.810 -0.896 1
1 756 . 10 1 1 A 76 76 ALA H H 699 8.458 8.118 0.340 1
1 757 . 10 1 1 A 76 76 ALA CA C 699 55.000 55.107 -0.107 1
1 758 . 10 1 1 A 76 76 ALA HA H 699 4.132 4.023 0.109 1
1 759 . 10 1 1 A 76 76 ALA CB C 699 18.785 18.288 0.497 1
1 763 . 10 1 1 A 77 77 ASN N N 700 116.945 117.170 -0.225 1
1 764 . 10 1 1 A 77 77 ASN H H 700 7.760 8.326 -0.566 1
1 765 . 10 1 1 A 77 77 ASN CA C 700 55.210 56.227 -1.017 1
1 766 . 10 1 1 A 77 77 ASN HA H 700 4.763 4.252 0.511 1
1 767 . 10 1 1 A 77 77 ASN CB C 700 38.005 37.674 0.331 1
1 770 . 10 1 1 A 78 78 GLN N N 701 124.719 119.814 4.905 1
1 771 . 10 1 1 A 78 78 GLN H H 701 9.480 8.604 0.876 1
1 772 . 10 1 1 A 78 78 GLN CA C 701 59.634 59.417 0.217 1
1 773 . 10 1 1 A 78 78 GLN HA H 701 3.673 4.101 -0.428 1
1 774 . 10 1 1 A 78 78 GLN CB C 701 27.114 28.401 -1.287 1
1 782 . 10 1 1 A 79 79 ARG N N 702 117.069 118.765 -1.696 1
1 783 . 10 1 1 A 79 79 ARG H H 702 7.654 7.871 -0.217 1
1 784 . 10 1 1 A 79 79 ARG CA C 702 57.561 59.491 -1.930 1
1 785 . 10 1 1 A 79 79 ARG HA H 702 4.487 4.109 0.378 1
1 786 . 10 1 1 A 79 79 ARG CB C 702 29.680 29.889 -0.209 1
1 794 . 10 1 1 A 80 80 LYS N N 703 119.251 118.909 0.342 1
1 795 . 10 1 1 A 80 80 LYS H H 703 7.636 8.131 -0.495 1
1 796 . 10 1 1 A 80 80 LYS CA C 703 60.735 59.221 1.514 1
1 797 . 10 1 1 A 80 80 LYS HA H 703 3.702 4.021 -0.319 1
1 798 . 10 1 1 A 80 80 LYS CB C 703 34.002 32.302 1.700 1
1 808 . 10 1 1 A 81 81 CYS N N 704 115.848 118.875 -3.027 1
1 809 . 10 1 1 A 81 81 CYS H H 704 8.031 8.248 -0.217 1
1 810 . 10 1 1 A 81 81 CYS CA C 704 64.823 63.409 1.414 1
1 811 . 10 1 1 A 81 81 CYS HA H 704 3.687 4.071 -0.384 1
1 812 . 10 1 1 A 81 81 CYS CB C 704 26.491 26.334 0.157 1
1 815 . 10 1 1 A 82 82 GLU N N 705 118.931 119.665 -0.734 1
1 816 . 10 1 1 A 82 82 GLU H H 705 8.286 8.540 -0.254 1
1 817 . 10 1 1 A 82 82 GLU CA C 705 59.887 59.623 0.264 1
1 818 . 10 1 1 A 82 82 GLU HA H 705 3.589 4.132 -0.543 1
1 819 . 10 1 1 A 82 82 GLU CB C 705 29.067 29.334 -0.267 1
1 825 . 10 1 1 A 83 83 ARG N N 706 119.029 119.788 -0.759 1
1 826 . 10 1 1 A 83 83 ARG H H 706 7.931 7.760 0.171 1
1 827 . 10 1 1 A 83 83 ARG CA C 706 60.133 59.235 0.898 1
1 828 . 10 1 1 A 83 83 ARG HA H 706 3.748 4.409 -0.661 1
1 829 . 10 1 1 A 83 83 ARG CB C 706 30.197 29.917 0.280 1
1 838 . 10 1 1 A 84 84 VAL N N 707 119.247 120.125 -0.878 1
1 839 . 10 1 1 A 84 84 VAL H H 707 7.762 7.825 -0.063 1
1 840 . 10 1 1 A 84 84 VAL CA C 707 67.133 66.665 0.468 1
1 841 . 10 1 1 A 84 84 VAL HA H 707 3.562 3.853 -0.291 1
1 842 . 10 1 1 A 84 84 VAL CB C 707 31.857 31.872 -0.015 1
1 852 . 10 1 1 A 85 85 LEU N N 708 119.414 119.327 0.087 1
1 853 . 10 1 1 A 85 85 LEU H H 708 8.844 8.984 -0.140 1
1 854 . 10 1 1 A 85 85 LEU CA C 708 57.561 58.408 -0.847 1
1 855 . 10 1 1 A 85 85 LEU HA H 708 4.366 4.022 0.344 1
1 856 . 10 1 1 A 85 85 LEU CB C 708 41.320 41.075 0.245 1
1 869 . 10 1 1 A 86 86 LEU N N 709 120.156 119.685 0.471 1
1 870 . 10 1 1 A 86 86 LEU H H 709 9.044 7.991 1.053 1
1 871 . 10 1 1 A 86 86 LEU CA C 709 57.977 58.274 -0.297 1
1 872 . 10 1 1 A 86 86 LEU HA H 709 4.382 4.058 0.324 1
1 873 . 10 1 1 A 86 86 LEU CB C 709 41.069 42.296 -1.227 1
1 886 . 10 1 1 A 87 87 ALA N N 710 121.264 120.465 0.799 1
1 887 . 10 1 1 A 87 87 ALA H H 710 8.136 8.936 -0.800 1
1 888 . 10 1 1 A 87 87 ALA CA C 710 55.439 55.824 -0.385 1
1 889 . 10 1 1 A 87 87 ALA HA H 710 4.217 4.505 -0.288 1
1 890 . 10 1 1 A 87 87 ALA CB C 710 17.525 19.078 -1.553 1
1 894 . 10 1 1 A 88 88 LEU N N 711 117.148 118.582 -1.434 1
1 895 . 10 1 1 A 88 88 LEU H H 711 8.158 8.805 -0.647 1
1 896 . 10 1 1 A 88 88 LEU CA C 711 58.688 57.730 0.958 1
1 897 . 10 1 1 A 88 88 LEU HA H 711 4.401 3.232 1.169 1
1 898 . 10 1 1 A 88 88 LEU CB C 711 41.534 41.981 -0.447 1
1 911 . 10 1 1 A 89 89 PHE N N 712 117.048 116.987 0.061 1
1 912 . 10 1 1 A 89 89 PHE H H 712 8.536 8.915 -0.379 1
1 913 . 10 1 1 A 89 89 PHE CA C 712 62.732 61.007 1.725 1
1 914 . 10 1 1 A 89 89 PHE HA H 712 3.971 4.284 -0.313 1
1 915 . 10 1 1 A 89 89 PHE CB C 712 40.351 38.886 1.465 1
1 922 . 10 1 1 A 90 90 CYS N N 713 111.682 117.219 -5.537 1
1 923 . 10 1 1 A 90 90 CYS H H 713 7.689 9.104 -1.415 1
1 924 . 10 1 1 A 90 90 CYS CA C 713 60.573 61.919 -1.346 1
1 925 . 10 1 1 A 90 90 CYS HA H 713 4.614 4.256 0.358 1
1 926 . 10 1 1 A 90 90 CYS CB C 713 28.820 27.350 1.470 1
1 929 . 10 1 1 A 91 91 HIS N N 714 123.036 117.222 5.814 1
1 930 . 10 1 1 A 91 91 HIS H H 714 7.517 7.955 -0.438 1
1 931 . 10 1 1 A 91 91 HIS CA C 714 54.945 54.366 0.579 1
1 932 . 10 1 1 A 91 91 HIS HA H 714 4.939 4.593 0.346 1
1 933 . 10 1 1 A 91 91 HIS CB C 714 31.433 31.716 -0.283 1
1 940 . 10 1 1 A 92 92 GLU CA C 715 61.506 60.956 0.550 1
1 941 . 10 1 1 A 92 92 GLU HA H 715 4.052 4.019 0.033 1
1 942 . 10 1 1 A 92 92 GLU CB C 715 26.765 29.365 -2.600 1
1 947 . 10 1 1 A 93 93 PRO CA C 716 65.272 66.604 -1.332 1
1 948 . 10 1 1 A 93 93 PRO HA H 716 4.294 4.489 -0.195 1
1 949 . 10 1 1 A 93 93 PRO CB C 716 31.486 31.113 0.373 1
1 958 . 10 1 1 A 94 94 CYS N N 717 110.309 115.658 -5.349 1
1 959 . 10 1 1 A 94 94 CYS H H 717 7.667 8.542 -0.875 1
1 960 . 10 1 1 A 94 94 CYS CA C 717 58.484 62.282 -3.798 1
1 961 . 10 1 1 A 94 94 CYS HA H 717 4.406 4.107 0.299 1
1 962 . 10 1 1 A 94 94 CYS CB C 717 28.612 27.391 1.221 1
1 965 . 10 1 1 A 95 95 ARG N N 718 122.655 120.316 2.339 1
1 966 . 10 1 1 A 95 95 ARG H H 718 7.928 8.329 -0.401 1
1 967 . 10 1 1 A 95 95 ARG CA C 718 60.829 60.337 0.492 1
1 968 . 10 1 1 A 95 95 ARG HA H 718 3.740 2.714 1.026 1
1 969 . 10 1 1 A 95 95 ARG CB C 718 28.131 29.172 -1.041 1
1 977 . 10 1 1 A 96 96 PRO CA C 719 65.328 66.279 -0.951 1
1 978 . 10 1 1 A 96 96 PRO HA H 719 4.456 4.192 0.264 1
1 979 . 10 1 1 A 96 96 PRO CB C 719 31.665 30.574 1.091 1
1 987 . 10 1 1 A 97 97 LEU N N 720 112.429 116.595 -4.166 1
1 988 . 10 1 1 A 97 97 LEU H H 720 7.720 6.885 0.835 1
1 989 . 10 1 1 A 97 97 LEU CA C 720 54.707 57.233 -2.526 1
1 990 . 10 1 1 A 97 97 LEU HA H 720 4.228 3.711 0.517 1
1 991 . 10 1 1 A 97 97 LEU CB C 720 40.391 40.982 -0.591 1
1 1004 . 10 1 1 A 98 98 HIS N N 721 118.891 117.020 1.871 1
1 1005 . 10 1 1 A 98 98 HIS H H 721 7.964 8.566 -0.602 1
1 1006 . 10 1 1 A 98 98 HIS CA C 721 60.901 58.357 2.544 1
1 1007 . 10 1 1 A 98 98 HIS HA H 721 4.190 3.873 0.317 1
1 1008 . 10 1 1 A 98 98 HIS CB C 721 31.678 29.570 2.108 1
1 1015 . 10 1 1 A 99 99 GLN N N 722 116.787 115.231 1.556 1
1 1016 . 10 1 1 A 99 99 GLN H H 722 8.090 7.541 0.549 1
1 1017 . 10 1 1 A 99 99 GLN CA C 722 55.180 54.667 0.513 1
1 1018 . 10 1 1 A 99 99 GLN HA H 722 4.808 4.821 -0.013 1
1 1019 . 10 1 1 A 99 99 GLN CB C 722 30.690 30.000 0.690 1
1 1024 . 10 1 1 A 100 100 LEU H H 723 9.277 7.676 1.601 1
1 1025 . 10 1 1 A 100 100 LEU CA C 723 55.397 58.845 -3.448 1
1 1026 . 10 1 1 A 100 100 LEU HA H 723 4.566 3.927 0.639 1
1 1027 . 10 1 1 A 100 100 LEU CB C 723 43.862 41.917 1.945 1
1 1040 . 10 1 1 A 101 101 ALA N N 724 123.211 121.365 1.846 1
1 1041 . 10 1 1 A 101 101 ALA H H 724 8.577 7.846 0.731 1
1 1042 . 10 1 1 A 101 101 ALA CA C 724 52.591 52.186 0.405 1
1 1043 . 10 1 1 A 101 101 ALA HA H 724 4.392 4.351 0.041 1
1 1044 . 10 1 1 A 101 101 ALA CB C 724 19.262 19.940 -0.678 1
1 1048 . 10 1 1 A 102 102 THR N N 725 112.189 109.800 2.389 1
1 1049 . 10 1 1 A 102 102 THR H H 725 8.069 8.407 -0.338 1
1 1050 . 10 1 1 A 102 102 THR CA C 725 61.802 60.616 1.186 1
1 1051 . 10 1 1 A 102 102 THR HA H 725 4.366 4.751 -0.385 1
1 1052 . 10 1 1 A 102 102 THR CB C 725 69.684 69.095 0.589 1
1 1058 . 10 1 1 A 103 103 ASP N N 726 121.846 123.937 -2.091 1
1 1059 . 10 1 1 A 103 103 ASP H H 726 8.195 7.669 0.526 1
1 1060 . 10 1 1 A 103 103 ASP CA C 726 54.057 54.273 -0.216 1
1 1061 . 10 1 1 A 103 103 ASP HA H 726 4.681 4.466 0.215 1
1 1062 . 10 1 1 A 103 103 ASP CB C 726 41.228 40.524 0.704 1
1 1064 . 10 1 1 A 104 104 SER N N 727 116.230 119.444 -3.214 1
1 1065 . 10 1 1 A 104 104 SER H H 727 8.260 8.752 -0.492 1
1 1066 . 10 1 1 A 104 104 SER CA C 727 58.945 59.071 -0.126 1
1 1067 . 10 1 1 A 104 104 SER HA H 727 4.468 4.408 0.060 1
1 1068 . 10 1 1 A 104 104 SER CB C 727 63.856 63.795 0.061 1
1 1070 . 10 1 1 A 105 105 THR N N 728 115.362 111.313 4.049 1
1 1071 . 10 1 1 A 105 105 THR H H 728 8.205 7.706 0.499 1
1 1072 . 10 1 1 A 105 105 THR CA C 728 62.744 61.717 1.027 1
1 1073 . 10 1 1 A 105 105 THR HA H 728 4.238 4.244 -0.006 1
1 1074 . 10 1 1 A 105 105 THR CB C 728 69.490 68.593 0.897 1
1 1080 . 10 1 1 A 106 106 PHE N N 729 121.735 118.617 3.118 1
1 1081 . 10 1 1 A 106 106 PHE H H 729 8.047 7.720 0.327 1
1 1082 . 10 1 1 A 106 106 PHE CA C 729 57.966 57.284 0.682 1
1 1083 . 10 1 1 A 106 106 PHE HA H 729 4.626 4.709 -0.083 1
1 1084 . 10 1 1 A 106 106 PHE CB C 729 39.633 41.224 -1.591 1
1 1090 . 10 1 1 A 107 107 SER N N 730 116.751 115.363 1.388 1
1 1091 . 10 1 1 A 107 107 SER H H 730 7.962 8.296 -0.334 1
1 1092 . 10 1 1 A 107 107 SER CA C 730 57.921 59.995 -2.074 1
1 1093 . 10 1 1 A 107 107 SER HA H 730 4.413 4.394 0.019 1
1 1094 . 10 1 1 A 107 107 SER CB C 730 63.659 63.007 0.652 1
1 1097 . 10 1 1 A 108 108 LEU N N 731 123.373 118.342 5.031 1
1 1098 . 10 1 1 A 108 108 LEU H H 731 8.212 8.500 -0.288 1
1 1099 . 10 1 1 A 108 108 LEU CA C 731 55.650 57.842 -2.192 1
1 1100 . 10 1 1 A 108 108 LEU HA H 731 4.265 4.056 0.209 1
1 1101 . 10 1 1 A 108 108 LEU CB C 731 42.257 41.361 0.896 1
1 1113 . 10 1 1 A 109 109 ASP N N 732 118.496 118.571 -0.075 1
1 1114 . 10 1 1 A 109 109 ASP H H 732 8.172 8.079 0.093 1
1 1115 . 10 1 1 A 109 109 ASP CA C 732 54.239 52.977 1.262 1
1 1116 . 10 1 1 A 109 109 ASP HA H 732 4.566 4.778 -0.212 1
1 1117 . 10 1 1 A 109 109 ASP CB C 732 41.124 40.899 0.225 1
1 1120 . 10 1 1 A 110 110 GLN N N 733 119.403 121.415 -2.012 1
1 1121 . 10 1 1 A 110 110 GLN H H 733 7.707 7.918 -0.211 1
1 1122 . 10 1 1 A 110 110 GLN CA C 733 53.251 53.627 -0.376 1
1 1123 . 10 1 1 A 110 110 GLN HA H 733 4.675 4.795 -0.120 1
1 1124 . 10 1 1 A 110 110 GLN CB C 733 29.061 30.737 -1.676 1
1 1129 . 10 1 1 A 111 111 PRO CA C 734 63.869 63.425 0.444 1
1 1130 . 10 1 1 A 111 111 PRO HA H 734 4.435 4.389 0.046 1
1 1131 . 10 1 1 A 111 111 PRO CB C 734 31.900 30.207 1.693 1
1 1139 . 10 1 1 A 112 112 GLY N N 735 109.783 113.037 -3.254 1
1 1140 . 10 1 1 A 112 112 GLY H H 735 8.510 8.830 -0.320 1
1 1141 . 10 1 1 A 112 112 GLY CA C 735 44.954 46.935 -1.981 1
1 1142 . 10 1 1 A 112 112 GLY HA3 H 735 3.903 3.935 -0.032 1
1 1143 . 10 1 1 A 112 112 GLY HA2 H 735 3.994 3.931 0.063 1
1 1144 . 10 1 1 A 113 113 GLY N N 736 108.485 107.022 1.463 1
1 1145 . 10 1 1 A 113 113 GLY H H 736 8.138 8.071 0.067 1
1 1146 . 10 1 1 A 113 113 GLY CA C 736 44.755 44.208 0.547 1
1 1147 . 10 1 1 A 113 113 GLY HA3 H 736 3.899 4.053 -0.154 1
1 1148 . 10 1 1 A 113 113 GLY HA2 H 736 3.964 4.046 -0.082 1
1 1149 . 10 1 1 A 114 114 THR N N 737 116.361 114.992 1.369 1
1 1150 . 10 1 1 A 114 114 THR H H 737 7.951 8.327 -0.376 1
1 1151 . 10 1 1 A 114 114 THR CA C 737 62.508 60.309 2.199 1
1 1152 . 10 1 1 A 114 114 THR HA H 737 4.189 4.680 -0.491 1
1 1153 . 10 1 1 A 114 114 THR CB C 737 69.780 69.340 0.440 1
1 1159 . 10 1 1 A 115 115 LEU N N 738 125.899 122.936 2.963 1
1 1160 . 10 1 1 A 115 115 LEU H H 738 8.575 7.925 0.650 1
1 1161 . 10 1 1 A 115 115 LEU CA C 738 54.534 55.365 -0.831 1
1 1162 . 10 1 1 A 115 115 LEU HA H 738 4.452 4.229 0.223 1
1 1163 . 10 1 1 A 115 115 LEU CB C 738 45.506 42.616 2.890 1
1 1176 . 10 1 1 A 116 116 ASP N N 739 115.416 120.159 -4.743 1
1 1177 . 10 1 1 A 116 116 ASP H H 739 6.819 8.420 -1.601 1
1 1178 . 10 1 1 A 116 116 ASP CA C 739 52.606 51.995 0.611 1
1 1179 . 10 1 1 A 116 116 ASP HA H 739 4.472 5.026 -0.554 1
1 1180 . 10 1 1 A 116 116 ASP CB C 739 42.811 44.174 -1.363 1
1 1183 . 10 1 1 A 117 117 LEU N N 740 115.281 121.677 -6.396 1
1 1184 . 10 1 1 A 117 117 LEU H H 740 8.213 8.491 -0.278 1
1 1185 . 10 1 1 A 117 117 LEU CA C 740 57.750 57.931 -0.181 1
1 1186 . 10 1 1 A 117 117 LEU HA H 740 3.841 3.696 0.145 1
1 1187 . 10 1 1 A 117 117 LEU CB C 740 42.005 41.172 0.833 1
1 1200 . 10 1 1 A 118 118 THR N N 741 116.995 109.990 7.005 1
1 1201 . 10 1 1 A 118 118 THR H H 741 8.152 7.913 0.239 1
1 1202 . 10 1 1 A 118 118 THR CA C 741 68.068 66.072 1.996 1
1 1203 . 10 1 1 A 118 118 THR HA H 741 4.054 4.182 -0.128 1
1 1204 . 10 1 1 A 118 118 THR CB C 741 68.392 68.534 -0.142 1
1 1210 . 10 1 1 A 119 119 LEU N N 742 127.180 123.965 3.215 1
1 1211 . 10 1 1 A 119 119 LEU H H 742 8.804 8.447 0.357 1
1 1212 . 10 1 1 A 119 119 LEU CA C 742 58.460 58.611 -0.151 1
1 1213 . 10 1 1 A 119 119 LEU HA H 742 4.214 3.959 0.255 1
1 1214 . 10 1 1 A 119 119 LEU CB C 742 42.491 41.986 0.505 1
1 1227 . 10 1 1 A 120 120 ILE N N 743 120.880 118.990 1.890 1
1 1228 . 10 1 1 A 120 120 ILE H H 743 7.884 8.165 -0.281 1
1 1229 . 10 1 1 A 120 120 ILE CA C 743 65.546 65.210 0.336 1
1 1230 . 10 1 1 A 120 120 ILE HA H 743 4.101 3.703 0.398 1
1 1231 . 10 1 1 A 120 120 ILE CB C 743 38.693 37.566 1.127 1
1 1244 . 10 1 1 A 121 121 ARG N N 744 119.772 122.615 -2.843 1
1 1245 . 10 1 1 A 121 121 ARG H H 744 8.792 8.242 0.550 1
1 1246 . 10 1 1 A 121 121 ARG CA C 744 60.369 59.242 1.127 1
1 1247 . 10 1 1 A 121 121 ARG HA H 744 3.896 3.723 0.173 1
1 1248 . 10 1 1 A 121 121 ARG CB C 744 30.241 29.636 0.605 1
1 1257 . 10 1 1 A 122 122 ALA N N 745 120.978 122.142 -1.164 1
1 1258 . 10 1 1 A 122 122 ALA H H 745 8.303 8.152 0.151 1
1 1259 . 10 1 1 A 122 122 ALA CA C 745 55.203 54.965 0.238 1
1 1260 . 10 1 1 A 122 122 ALA HA H 745 4.246 4.056 0.190 1
1 1261 . 10 1 1 A 122 122 ALA CB C 745 18.005 18.391 -0.386 1
1 1265 . 10 1 1 A 123 123 ARG N N 746 119.408 118.075 1.333 1
1 1266 . 10 1 1 A 123 123 ARG H H 746 8.224 7.859 0.365 1
1 1267 . 10 1 1 A 123 123 ARG CA C 746 59.895 59.024 0.871 1
1 1268 . 10 1 1 A 123 123 ARG HA H 746 4.335 4.122 0.213 1
1 1269 . 10 1 1 A 123 123 ARG CB C 746 29.768 30.079 -0.311 1
1 1279 . 10 1 1 A 124 124 LEU N N 747 125.115 121.688 3.427 1
1 1280 . 10 1 1 A 124 124 LEU H H 747 9.029 7.702 1.327 1
1 1281 . 10 1 1 A 124 124 LEU CA C 747 57.559 57.341 0.218 1
1 1282 . 10 1 1 A 124 124 LEU HA H 747 4.925 3.546 1.379 1
1 1283 . 10 1 1 A 124 124 LEU CB C 747 42.721 41.489 1.232 1
1 1296 . 10 1 1 A 125 125 GLN N N 748 114.117 115.934 -1.817 1
1 1297 . 10 1 1 A 125 125 GLN H H 748 8.418 7.687 0.731 1
1 1298 . 10 1 1 A 125 125 GLN CA C 748 55.664 55.564 0.100 1
1 1299 . 10 1 1 A 125 125 GLN HA H 748 4.444 4.323 0.121 1
1 1300 . 10 1 1 A 125 125 GLN CB C 748 29.301 29.049 0.252 1
1 1309 . 10 1 1 A 126 126 GLU N N 749 113.381 118.349 -4.968 1
1 1310 . 10 1 1 A 126 126 GLU H H 749 7.978 8.392 -0.414 1
1 1311 . 10 1 1 A 126 126 GLU CA C 749 57.789 57.842 -0.053 1
1 1312 . 10 1 1 A 126 126 GLU HA H 749 4.156 4.628 -0.472 1
1 1313 . 10 1 1 A 126 126 GLU CB C 749 25.906 29.493 -3.587 1
1 1318 . 10 1 1 A 127 127 LYS N N 750 116.557 120.708 -4.151 1
1 1319 . 10 1 1 A 127 127 LYS H H 750 8.538 7.953 0.585 1
1 1320 . 10 1 1 A 127 127 LYS CA C 750 56.417 59.121 -2.704 1
1 1321 . 10 1 1 A 127 127 LYS HA H 750 4.344 4.137 0.207 1
1 1322 . 10 1 1 A 127 127 LYS CB C 750 33.029 32.065 0.964 1
1 1332 . 10 1 1 A 128 128 LEU N N 751 119.986 121.161 -1.175 1
1 1333 . 10 1 1 A 128 128 LEU H H 751 6.949 7.935 -0.986 1
1 1334 . 10 1 1 A 128 128 LEU CA C 751 53.476 58.535 -5.059 1
1 1335 . 10 1 1 A 128 128 LEU HA H 751 4.532 4.059 0.473 1
1 1336 . 10 1 1 A 128 128 LEU CB C 751 45.503 42.258 3.245 1
1 1349 . 10 1 1 A 129 129 SER N N 752 118.455 112.935 5.520 1
1 1350 . 10 1 1 A 129 129 SER H H 752 8.225 8.100 0.125 1
1 1351 . 10 1 1 A 129 129 SER CA C 752 56.129 59.391 -3.262 1
1 1352 . 10 1 1 A 129 129 SER HA H 752 4.434 4.629 -0.195 1
1 1353 . 10 1 1 A 129 129 SER CB C 752 63.911 64.980 -1.069 1
1 1356 . 10 1 1 A 130 130 PRO CA C 753 61.355 61.866 -0.511 1
1 1357 . 10 1 1 A 130 130 PRO HA H 753 5.026 4.640 0.386 1
1 1358 . 10 1 1 A 130 130 PRO CB C 753 32.831 32.897 -0.066 1
1 1366 . 10 1 1 A 131 131 PRO CA C 754 62.470 62.211 0.259 1
1 1367 . 10 1 1 A 131 131 PRO HA H 754 4.651 4.773 -0.122 1
1 1368 . 10 1 1 A 131 131 PRO CB C 754 32.403 32.620 -0.217 1
1 1377 . 10 1 1 A 132 132 TYR N N 755 121.321 122.182 -0.861 1
1 1378 . 10 1 1 A 132 132 TYR H H 755 9.635 8.643 0.992 1
1 1379 . 10 1 1 A 132 132 TYR CA C 755 60.382 58.734 1.648 1
1 1380 . 10 1 1 A 132 132 TYR HA H 755 4.433 5.085 -0.652 1
1 1381 . 10 1 1 A 132 132 TYR CB C 755 38.713 38.900 -0.187 1
1 1388 . 10 1 1 A 133 133 SER N N 756 114.917 120.349 -5.432 1
1 1389 . 10 1 1 A 133 133 SER H H 756 9.343 8.830 0.513 1
1 1390 . 10 1 1 A 133 133 SER CA C 756 58.776 57.176 1.600 1
1 1391 . 10 1 1 A 133 133 SER HA H 756 4.430 4.762 -0.332 1
1 1392 . 10 1 1 A 133 133 SER CB C 756 64.839 64.272 0.567 1
1 1394 . 10 1 1 A 134 134 SER N N 757 112.021 111.155 0.866 1
1 1395 . 10 1 1 A 134 134 SER H H 757 7.500 6.961 0.539 1
1 1396 . 10 1 1 A 134 134 SER CA C 757 56.158 56.329 -0.171 1
1 1397 . 10 1 1 A 134 134 SER HA H 757 4.950 4.513 0.437 1
1 1398 . 10 1 1 A 134 134 SER CB C 757 63.906 64.803 -0.897 1
1 1401 . 10 1 1 A 135 135 PRO CA C 758 64.159 64.797 -0.638 1
1 1402 . 10 1 1 A 135 135 PRO HA H 758 4.132 4.386 -0.254 1
1 1403 . 10 1 1 A 135 135 PRO CB C 758 31.649 32.141 -0.492 1
1 1412 . 10 1 1 A 136 136 GLN N N 759 116.382 116.751 -0.369 1
1 1413 . 10 1 1 A 136 136 GLN H H 759 8.067 8.385 -0.318 1
1 1414 . 10 1 1 A 136 136 GLN CA C 759 59.483 58.727 0.756 1
1 1415 . 10 1 1 A 136 136 GLN HA H 759 3.963 3.993 -0.030 1
1 1416 . 10 1 1 A 136 136 GLN CB C 759 27.414 27.677 -0.263 1
1 1425 . 10 1 1 A 137 137 GLU N N 760 121.764 119.152 2.612 1
1 1426 . 10 1 1 A 137 137 GLU H H 760 7.826 8.588 -0.762 1
1 1427 . 10 1 1 A 137 137 GLU CA C 760 59.184 59.335 -0.151 1
1 1428 . 10 1 1 A 137 137 GLU HA H 760 4.063 4.005 0.058 1
1 1429 . 10 1 1 A 137 137 GLU CB C 760 30.403 29.358 1.045 1
1 1435 . 10 1 1 A 138 138 PHE N N 761 120.582 119.234 1.348 1
1 1436 . 10 1 1 A 138 138 PHE H H 761 6.900 8.435 -1.535 1
1 1437 . 10 1 1 A 138 138 PHE CA C 761 60.105 60.784 -0.679 1
1 1438 . 10 1 1 A 138 138 PHE HA H 761 3.604 4.474 -0.870 1
1 1439 . 10 1 1 A 138 138 PHE CB C 761 38.271 38.930 -0.659 1
1 1448 . 10 1 1 A 139 139 ALA N N 762 120.917 123.406 -2.489 1
1 1449 . 10 1 1 A 139 139 ALA H H 762 8.399 8.361 0.038 1
1 1450 . 10 1 1 A 139 139 ALA CA C 762 54.940 55.456 -0.516 1
1 1451 . 10 1 1 A 139 139 ALA HA H 762 3.804 4.523 -0.719 1
1 1452 . 10 1 1 A 139 139 ALA CB C 762 18.001 18.366 -0.365 1
1 1456 . 10 1 1 A 140 140 GLN N N 763 119.041 117.284 1.757 1
1 1457 . 10 1 1 A 140 140 GLN H H 763 8.436 8.659 -0.223 1
1 1458 . 10 1 1 A 140 140 GLN CA C 763 58.474 58.899 -0.425 1
1 1459 . 10 1 1 A 140 140 GLN HA H 763 4.056 4.101 -0.045 1
1 1460 . 10 1 1 A 140 140 GLN CB C 763 28.345 28.209 0.136 1
1 1469 . 10 1 1 A 141 141 ASP N N 764 122.985 119.972 3.013 1
1 1470 . 10 1 1 A 141 141 ASP H H 764 7.694 7.602 0.092 1
1 1471 . 10 1 1 A 141 141 ASP CA C 764 57.087 57.239 -0.152 1
1 1472 . 10 1 1 A 141 141 ASP HA H 764 4.517 4.392 0.125 1
1 1473 . 10 1 1 A 141 141 ASP CB C 764 39.897 41.001 -1.104 1
1 1476 . 10 1 1 A 142 142 VAL N N 765 119.630 119.996 -0.366 1
1 1477 . 10 1 1 A 142 142 VAL H H 765 7.431 8.840 -1.409 1
1 1478 . 10 1 1 A 142 142 VAL CA C 765 66.489 65.744 0.745 1
1 1479 . 10 1 1 A 142 142 VAL HA H 765 2.740 3.199 -0.459 1
1 1480 . 10 1 1 A 142 142 VAL CB C 765 30.729 30.948 -0.219 1
1 1490 . 10 1 1 A 143 143 GLY N N 766 104.089 107.082 -2.993 1
1 1491 . 10 1 1 A 143 143 GLY H H 766 8.089 8.036 0.053 1
1 1492 . 10 1 1 A 143 143 GLY CA C 766 47.271 46.695 0.576 1
1 1493 . 10 1 1 A 143 143 GLY HA3 H 766 3.783 3.748 0.035 1
1 1494 . 10 1 1 A 143 143 GLY HA2 H 766 3.870 3.637 0.233 1
1 1495 . 10 1 1 A 144 144 ARG N N 767 123.406 121.580 1.826 1
1 1496 . 10 1 1 A 144 144 ARG H H 767 8.270 7.909 0.361 1
1 1497 . 10 1 1 A 144 144 ARG CA C 767 59.627 58.425 1.202 1
1 1498 . 10 1 1 A 144 144 ARG HA H 767 4.026 4.105 -0.079 1
1 1499 . 10 1 1 A 144 144 ARG CB C 767 30.003 30.091 -0.088 1
1 1507 . 10 1 1 A 145 145 MET N N 768 121.310 118.589 2.721 1
1 1508 . 10 1 1 A 145 145 MET H H 768 8.053 8.718 -0.665 1
1 1509 . 10 1 1 A 145 145 MET CA C 768 58.727 58.929 -0.202 1
1 1510 . 10 1 1 A 145 145 MET HA H 768 3.932 4.061 -0.129 1
1 1511 . 10 1 1 A 145 145 MET CB C 768 31.536 31.726 -0.190 1
1 1521 . 10 1 1 A 146 146 PHE N N 769 117.125 118.623 -1.498 1
1 1522 . 10 1 1 A 146 146 PHE H H 769 8.005 8.442 -0.437 1
1 1523 . 10 1 1 A 146 146 PHE CA C 769 59.441 61.445 -2.004 1
1 1524 . 10 1 1 A 146 146 PHE HA H 769 4.582 4.530 0.052 1
1 1525 . 10 1 1 A 146 146 PHE CB C 769 37.558 38.457 -0.899 1
1 1534 . 10 1 1 A 147 147 LYS N N 770 119.226 118.340 0.886 1
1 1535 . 10 1 1 A 147 147 LYS H H 770 8.078 8.134 -0.056 1
1 1536 . 10 1 1 A 147 147 LYS CA C 770 59.479 59.653 -0.174 1
1 1537 . 10 1 1 A 147 147 LYS HA H 770 4.153 3.974 0.179 1
1 1538 . 10 1 1 A 147 147 LYS CB C 770 32.336 32.228 0.108 1
1 1547 . 10 1 1 A 148 148 GLN N N 771 118.870 118.623 0.247 1
1 1548 . 10 1 1 A 148 148 GLN H H 771 8.338 8.338 0.000 1
1 1549 . 10 1 1 A 148 148 GLN CA C 771 58.440 58.396 0.044 1
1 1550 . 10 1 1 A 148 148 GLN HA H 771 4.140 4.222 -0.082 1
1 1551 . 10 1 1 A 148 148 GLN CB C 771 28.382 28.229 0.153 1
1 1560 . 10 1 1 A 149 149 PHE N N 772 120.162 121.120 -0.958 1
1 1561 . 10 1 1 A 149 149 PHE H H 772 8.411 8.360 0.051 1
1 1562 . 10 1 1 A 149 149 PHE CA C 772 60.460 61.310 -0.850 1
1 1563 . 10 1 1 A 149 149 PHE HA H 772 4.433 4.228 0.205 1
1 1564 . 10 1 1 A 149 149 PHE CB C 772 39.428 39.507 -0.079 1
1 1573 . 10 1 1 A 150 150 ASN N N 773 117.836 117.385 0.451 1
1 1574 . 10 1 1 A 150 150 ASN H H 773 8.279 8.530 -0.251 1
1 1575 . 10 1 1 A 150 150 ASN HA H 773 4.375 4.418 -0.043 1
1 1576 . 10 1 1 A 150 150 ASN CB C 773 38.977 38.405 0.572 1
1 1582 . 10 1 1 A 151 151 LYS N N 774 118.045 118.919 -0.874 1
1 1583 . 10 1 1 A 151 151 LYS H H 774 7.648 8.079 -0.431 1
1 1584 . 10 1 1 A 151 151 LYS CA C 774 57.563 58.296 -0.733 1
1 1585 . 10 1 1 A 151 151 LYS HA H 774 4.225 4.106 0.119 1
1 1586 . 10 1 1 A 151 151 LYS CB C 774 32.333 32.354 -0.021 1
1 1595 . 10 1 1 A 152 152 LEU N N 775 119.031 119.072 -0.041 1
1 1596 . 10 1 1 A 152 152 LEU H H 775 7.825 7.866 -0.041 1
1 1597 . 10 1 1 A 152 152 LEU CA C 775 55.990 57.569 -1.579 1
1 1598 . 10 1 1 A 152 152 LEU HA H 775 4.270 4.121 0.149 1
1 1599 . 10 1 1 A 152 152 LEU CB C 775 42.487 41.898 0.589 1
1 1612 . 10 1 1 A 153 153 THR N N 776 110.107 110.179 -0.072 1
1 1613 . 10 1 1 A 153 153 THR H H 776 7.525 8.041 -0.516 1
1 1614 . 10 1 1 A 153 153 THR CA C 776 61.535 62.937 -1.402 1
1 1615 . 10 1 1 A 153 153 THR HA H 776 4.332 4.032 0.300 1
1 1616 . 10 1 1 A 153 153 THR CB C 776 69.570 66.386 3.184 1
1 1622 . 10 1 1 A 154 154 GLU N N 777 122.427 119.256 3.171 1
1 1623 . 10 1 1 A 154 154 GLU H H 777 8.027 8.210 -0.183 1
1 1624 . 10 1 1 A 154 154 GLU CA C 777 57.720 58.357 -0.637 1
1 1625 . 10 1 1 A 154 154 GLU HA H 777 4.216 4.209 0.007 1
1 1626 . 10 1 1 A 154 154 GLU CB C 777 29.977 29.656 0.321 1
1 1631 . 10 1 1 A 155 155 ASP N N 778 119.283 120.160 -0.877 1
1 1632 . 10 1 1 A 155 155 ASP H H 778 8.372 7.986 0.386 1
1 1633 . 10 1 1 A 155 155 ASP CA C 778 54.709 56.541 -1.832 1
1 1634 . 10 1 1 A 155 155 ASP HA H 778 4.602 4.432 0.170 1
1 1635 . 10 1 1 A 155 155 ASP CB C 778 40.600 40.847 -0.247 1
1 1638 . 10 1 1 A 156 156 LYS N N 779 120.684 119.953 0.731 1
1 1639 . 10 1 1 A 156 156 LYS H H 779 8.068 7.933 0.135 1
1 1640 . 10 1 1 A 156 156 LYS CA C 779 56.388 59.736 -3.348 1
1 1641 . 10 1 1 A 156 156 LYS HA H 779 4.333 3.915 0.418 1
1 1642 . 10 1 1 A 156 156 LYS CB C 779 32.814 32.427 0.387 1
1 1651 . 10 1 1 A 157 157 ALA N N 780 123.182 119.955 3.227 1
1 1652 . 10 1 1 A 157 157 ALA H H 780 8.197 8.191 0.006 1
1 1653 . 10 1 1 A 157 157 ALA CA C 780 52.591 52.842 -0.251 1
1 1654 . 10 1 1 A 157 157 ALA HA H 780 4.337 4.199 0.138 1
1 1655 . 10 1 1 A 157 157 ALA CB C 780 19.186 17.755 1.431 1
1 1659 . 10 1 1 A 158 158 ASP N N 781 118.794 118.092 0.702 1
1 1660 . 10 1 1 A 158 158 ASP H H 781 8.222 7.941 0.281 1
1 1661 . 10 1 1 A 158 158 ASP CA C 781 54.003 53.544 0.459 1
1 1662 . 10 1 1 A 158 158 ASP HA H 781 4.673 4.858 -0.185 1
1 1663 . 10 1 1 A 158 158 ASP CB C 781 41.075 42.174 -1.099 1
1 1666 . 10 1 1 A 159 159 VAL N N 782 120.713 119.353 1.360 1
1 1667 . 10 1 1 A 159 159 VAL H H 782 8.039 7.965 0.074 1
1 1668 . 10 1 1 A 159 159 VAL CA C 782 63.898 64.496 -0.598 1
1 1669 . 10 1 1 A 159 159 VAL HA H 782 4.028 3.644 0.384 1
1 1670 . 10 1 1 A 159 159 VAL CB C 782 32.181 31.361 0.820 1
1 1680 . 10 1 1 A 160 160 GLN N N 783 120.756 121.287 -0.531 1
1 1681 . 10 1 1 A 160 160 GLN H H 783 8.370 7.948 0.422 1
1 1682 . 10 1 1 A 160 160 GLN CA C 783 57.563 57.351 0.212 1
1 1683 . 10 1 1 A 160 160 GLN HA H 783 4.219 4.219 0.000 1
1 1684 . 10 1 1 A 160 160 GLN CB C 783 28.410 28.193 0.217 1
1 1691 . 10 1 1 A 161 161 SER N N 784 116.111 113.677 2.434 1
1 1692 . 10 1 1 A 161 161 SER H H 784 8.190 8.212 -0.022 1
1 1693 . 10 1 1 A 161 161 SER CA C 784 60.089 60.058 0.031 1
1 1694 . 10 1 1 A 161 161 SER HA H 784 4.361 4.457 -0.096 1
1 1695 . 10 1 1 A 161 161 SER CB C 784 62.955 63.745 -0.790 1
1 1698 . 10 1 1 A 162 162 ILE N N 785 122.105 122.516 -0.411 1
1 1699 . 10 1 1 A 162 162 ILE H H 785 8.014 7.527 0.487 1
1 1700 . 10 1 1 A 162 162 ILE CA C 785 62.963 64.822 -1.859 1
1 1701 . 10 1 1 A 162 162 ILE HA H 785 3.986 3.360 0.626 1
1 1702 . 10 1 1 A 162 162 ILE CB C 785 37.568 37.419 0.149 1
1 1715 . 10 1 1 A 163 163 ILE N N 786 122.150 120.373 1.777 1
1 1716 . 10 1 1 A 163 163 ILE H H 786 7.913 8.495 -0.582 1
1 1717 . 10 1 1 A 163 163 ILE CA C 786 64.074 65.135 -1.061 1
1 1718 . 10 1 1 A 163 163 ILE HA H 786 3.947 3.705 0.242 1
1 1719 . 10 1 1 A 163 163 ILE CB C 786 37.561 37.995 -0.434 1
1 1732 . 10 1 1 A 164 164 GLY N N 787 107.177 107.740 -0.563 1
1 1733 . 10 1 1 A 164 164 GLY H H 787 8.057 8.109 -0.052 1
1 1734 . 10 1 1 A 164 164 GLY CA C 787 46.938 46.813 0.125 1
1 1735 . 10 1 1 A 164 164 GLY HA3 H 787 3.907 3.799 0.108 1
1 1736 . 10 1 1 A 164 164 GLY HA2 H 787 4.007 3.775 0.232 1
1 1737 . 10 1 1 A 165 165 LEU N N 788 123.590 122.801 0.789 1
1 1738 . 10 1 1 A 165 165 LEU H H 788 7.676 7.769 -0.093 1
1 1739 . 10 1 1 A 165 165 LEU CA C 788 57.738 58.163 -0.425 1
1 1740 . 10 1 1 A 165 165 LEU HA H 788 4.052 3.849 0.203 1
1 1741 . 10 1 1 A 165 165 LEU CB C 788 40.833 40.891 -0.058 1
1 1753 . 10 1 1 A 166 166 GLN N N 789 119.114 118.576 0.538 1
1 1754 . 10 1 1 A 166 166 GLN H H 789 7.956 8.186 -0.230 1
1 1755 . 10 1 1 A 166 166 GLN CA C 789 59.445 58.794 0.651 1
1 1756 . 10 1 1 A 166 166 GLN HA H 789 3.844 3.040 0.804 1
1 1757 . 10 1 1 A 166 166 GLN CB C 789 27.826 27.710 0.116 1
1 1765 . 10 1 1 A 167 167 ARG N N 790 118.851 119.851 -1.000 1
1 1766 . 10 1 1 A 167 167 ARG H H 790 8.387 8.146 0.241 1
1 1767 . 10 1 1 A 167 167 ARG CA C 790 58.942 58.430 0.512 1
1 1768 . 10 1 1 A 167 167 ARG HA H 790 4.191 4.150 0.041 1
1 1769 . 10 1 1 A 167 167 ARG CB C 790 29.829 30.455 -0.626 1
1 1776 . 10 1 1 A 168 168 PHE N N 791 122.408 121.589 0.819 1
1 1777 . 10 1 1 A 168 168 PHE H H 791 8.127 8.455 -0.328 1
1 1778 . 10 1 1 A 168 168 PHE CA C 791 61.976 61.395 0.581 1
1 1779 . 10 1 1 A 168 168 PHE HA H 791 4.164 4.348 -0.184 1
1 1780 . 10 1 1 A 168 168 PHE CB C 791 38.894 39.032 -0.138 1
1 1788 . 10 1 1 A 169 169 PHE N N 792 119.223 120.579 -1.356 1
1 1789 . 10 1 1 A 169 169 PHE H H 792 8.500 9.197 -0.697 1
1 1790 . 10 1 1 A 169 169 PHE CA C 792 61.093 62.483 -1.390 1
1 1791 . 10 1 1 A 169 169 PHE HA H 792 4.053 4.527 -0.474 1
1 1792 . 10 1 1 A 169 169 PHE CB C 792 39.182 39.818 -0.636 1
1 1800 . 10 1 1 A 170 170 GLU N N 793 119.089 118.472 0.617 1
1 1801 . 10 1 1 A 170 170 GLU H H 793 8.718 8.435 0.283 1
1 1802 . 10 1 1 A 170 170 GLU CA C 793 59.843 59.260 0.583 1
1 1803 . 10 1 1 A 170 170 GLU HA H 793 3.483 3.712 -0.229 1
1 1804 . 10 1 1 A 170 170 GLU CB C 793 29.372 29.343 0.029 1
1 1810 . 10 1 1 A 171 171 THR N N 794 115.081 117.732 -2.651 1
1 1811 . 10 1 1 A 171 171 THR H H 794 8.205 8.175 0.030 1
1 1812 . 10 1 1 A 171 171 THR CA C 794 66.661 67.057 -0.396 1
1 1813 . 10 1 1 A 171 171 THR HA H 794 3.935 3.778 0.157 1
1 1814 . 10 1 1 A 171 171 THR CB C 794 68.604 68.692 -0.088 1
1 1820 . 10 1 1 A 172 172 ARG N N 795 120.165 119.475 0.690 1
1 1821 . 10 1 1 A 172 172 ARG H H 795 7.776 7.908 -0.132 1
1 1822 . 10 1 1 A 172 172 ARG CA C 795 57.535 59.705 -2.170 1
1 1823 . 10 1 1 A 172 172 ARG HA H 795 4.030 4.217 -0.187 1
1 1824 . 10 1 1 A 172 172 ARG CB C 795 29.886 30.328 -0.442 1
1 1828 . 10 1 1 A 173 173 MET N N 796 120.347 119.217 1.130 1
1 1829 . 10 1 1 A 173 173 MET H H 796 8.503 8.186 0.317 1
1 1830 . 10 1 1 A 173 173 MET CA C 796 57.453 58.028 -0.575 1
1 1831 . 10 1 1 A 173 173 MET HA H 796 4.383 4.233 0.150 1
1 1832 . 10 1 1 A 173 173 MET CB C 796 30.469 32.087 -1.618 1
1 1840 . 10 1 1 A 174 174 ASN N N 797 119.200 117.858 1.342 1
1 1841 . 10 1 1 A 174 174 ASN H H 797 8.351 7.872 0.479 1
1 1842 . 10 1 1 A 174 174 ASN CA C 797 55.851 56.000 -0.149 1
1 1843 . 10 1 1 A 174 174 ASN HA H 797 4.510 4.570 -0.060 1
1 1844 . 10 1 1 A 174 174 ASN CB C 797 38.213 38.692 -0.479 1
1 1850 . 10 1 1 A 175 175 GLU N N 798 119.589 119.682 -0.093 1
1 1851 . 10 1 1 A 175 175 GLU H H 798 7.896 8.584 -0.688 1
1 1852 . 10 1 1 A 175 175 GLU CA C 798 59.033 59.466 -0.433 1
1 1853 . 10 1 1 A 175 175 GLU HA H 798 3.967 4.109 -0.142 1
1 1854 . 10 1 1 A 175 175 GLU CB C 798 29.296 29.260 0.036 1
1 1860 . 10 1 1 A 176 176 ALA N N 799 116.937 121.662 -4.725 1
1 1861 . 10 1 1 A 176 176 ALA H H 799 8.030 8.613 -0.583 1
1 1862 . 10 1 1 A 176 176 ALA CA C 799 54.179 55.034 -0.855 1
1 1863 . 10 1 1 A 176 176 ALA HA H 799 4.085 4.187 -0.102 1
1 1864 . 10 1 1 A 176 176 ALA CB C 799 19.432 18.812 0.620 1
1 1868 . 10 1 1 A 177 177 PHE N N 800 112.840 115.017 -2.177 1
1 1869 . 10 1 1 A 177 177 PHE H H 800 8.544 7.729 0.815 1
1 1870 . 10 1 1 A 177 177 PHE CA C 800 59.182 58.130 1.052 1
1 1871 . 10 1 1 A 177 177 PHE HA H 800 4.515 4.720 -0.205 1
1 1872 . 10 1 1 A 177 177 PHE CB C 800 39.642 38.267 1.375 1
1 1881 . 10 1 1 A 178 178 GLY N N 801 110.339 107.276 3.063 1
1 1882 . 10 1 1 A 178 178 GLY H H 801 7.974 7.656 0.318 1
1 1883 . 10 1 1 A 178 178 GLY CA C 801 45.607 45.986 -0.379 1
1 1884 . 10 1 1 A 178 178 GLY HA3 H 801 3.988 4.093 -0.105 1
1 1885 . 10 1 1 A 178 178 GLY HA2 H 801 4.031 4.084 -0.053 1
1 1886 . 10 1 1 A 179 179 ASP N N 802 119.627 118.296 1.331 1
1 1887 . 10 1 1 A 179 179 ASP H H 802 8.185 8.088 0.097 1
1 1888 . 10 1 1 A 179 179 ASP CA C 802 53.949 53.151 0.798 1
1 1889 . 10 1 1 A 179 179 ASP HA H 802 4.679 4.818 -0.139 1
1 1890 . 10 1 1 A 179 179 ASP CB C 802 41.070 42.083 -1.013 1
1 1892 . 10 1 1 A 180 180 THR N N 803 113.769 112.613 1.156 1
1 1893 . 10 1 1 A 180 180 THR H H 803 8.037 8.676 -0.639 1
1 1894 . 10 1 1 A 180 180 THR CA C 803 61.885 63.665 -1.780 1
1 1895 . 10 1 1 A 180 180 THR HA H 803 4.331 4.475 -0.144 1
1 1896 . 10 1 1 A 180 180 THR CB C 803 70.002 66.957 3.045 1
1 1902 . 10 1 1 A 181 181 LYS N N 804 122.277 117.431 4.846 1
1 1903 . 10 1 1 A 181 181 LYS H H 804 8.198 8.656 -0.458 1
1 1904 . 10 1 1 A 181 181 LYS CA C 804 56.652 57.820 -1.168 1
1 1905 . 10 1 1 A 181 181 LYS HA H 804 4.151 3.949 0.202 1
1 1906 . 10 1 1 A 181 181 LYS CB C 804 32.377 30.374 2.003 1
1 1914 . 10 1 1 A 182 182 PHE N N 805 119.784 118.804 0.980 1
1 1915 . 10 1 1 A 182 182 PHE H H 805 8.206 7.845 0.361 1
1 1916 . 10 1 1 A 182 182 PHE CA C 805 57.256 58.607 -1.351 1
1 1917 . 10 1 1 A 182 182 PHE HA H 805 4.664 4.465 0.199 1
1 1918 . 10 1 1 A 182 182 PHE CB C 805 38.774 38.246 0.528 1
1 1927 . 10 1 1 A 183 183 SER N N 806 123.742 111.784 11.958 1
1 1928 . 10 1 1 A 183 183 SER H H 806 8.121 7.904 0.217 1
1 1929 . 10 1 1 A 183 183 SER CA C 806 58.203 58.353 -0.150 1
1 1930 . 10 1 1 A 183 183 SER HA H 806 4.361 4.528 -0.167 1
1 1931 . 10 1 1 A 183 183 SER CB C 806 63.764 64.347 -0.583 1
1 1934 . 10 1 1 A 184 184 ALA N N 807 125.704 123.229 2.475 1
1 1935 . 10 1 1 A 184 184 ALA H H 807 8.286 7.720 0.566 1
1 1936 . 10 1 1 A 184 184 ALA CA C 807 52.574 51.357 1.217 1
1 1937 . 10 1 1 A 184 184 ALA HA H 807 4.360 4.562 -0.202 1
1 1938 . 10 1 1 A 184 184 ALA CB C 807 18.947 20.073 -1.126 1
1 1942 . 10 1 1 A 185 185 VAL N N 808 118.271 117.949 0.322 1
1 1943 . 10 1 1 A 185 185 VAL H H 808 7.958 7.815 0.143 1
1 1944 . 10 1 1 A 185 185 VAL CA C 808 62.216 63.210 -0.994 1
1 1945 . 10 1 1 A 185 185 VAL HA H 808 4.151 3.964 0.187 1
1 1946 . 10 1 1 A 185 185 VAL CB C 808 32.178 31.567 0.611 1
1 1952 . 10 1 1 A 186 186 LEU N N 809 125.280 121.841 3.439 1
1 1953 . 10 1 1 A 186 186 LEU H H 809 8.195 7.632 0.563 1
1 1954 . 10 1 1 A 186 186 LEU CA C 809 54.474 56.650 -2.176 1
1 1955 . 10 1 1 A 186 186 LEU HA H 809 4.430 4.175 0.255 1
1 1956 . 10 1 1 A 186 186 LEU CB C 809 42.303 41.532 0.771 1
1 1968 . 10 1 1 A 187 187 VAL N N 810 120.937 112.459 8.478 1
1 1969 . 10 1 1 A 187 187 VAL H H 810 7.985 7.529 0.456 1
1 1970 . 10 1 1 A 187 187 VAL CA C 810 62.004 61.370 0.634 1
1 1971 . 10 1 1 A 187 187 VAL HA H 810 4.155 4.246 -0.091 1
1 1972 . 10 1 1 A 187 187 VAL CB C 810 32.602 31.433 1.169 1
1 1979 . 10 1 1 A 188 188 GLU N N 811 126.353 121.698 4.655 1
1 1980 . 10 1 1 A 188 188 GLU H H 811 8.292 7.927 0.365 1
1 1981 . 10 1 1 A 188 188 GLU CA C 811 54.162 57.220 -3.058 1
1 1982 . 10 1 1 A 188 188 GLU HA H 811 4.609 4.025 0.584 1
1 1983 . 10 1 1 A 188 188 GLU CB C 811 29.775 28.341 1.434 1
1 1 . 11 1 1 A 2 2 ALA CA C 625 52.969 51.754 1.215 1
1 2 . 11 1 1 A 2 2 ALA HA H 625 4.493 4.424 0.069 1
1 3 . 11 1 1 A 2 2 ALA CB C 625 19.272 20.346 -1.074 1
1 7 . 11 1 1 A 3 3 THR N N 626 113.570 114.965 -1.395 1
1 8 . 11 1 1 A 3 3 THR H H 626 8.176 8.832 -0.656 1
1 9 . 11 1 1 A 3 3 THR CA C 626 61.314 66.106 -4.792 1
1 10 . 11 1 1 A 3 3 THR HA H 626 4.298 4.203 0.095 1
1 11 . 11 1 1 A 3 3 THR CB C 626 69.270 68.701 0.569 1
1 17 . 11 1 1 A 4 4 ILE N N 627 115.272 120.326 -5.054 1
1 18 . 11 1 1 A 4 4 ILE H H 627 7.549 8.085 -0.536 1
1 19 . 11 1 1 A 4 4 ILE CA C 627 58.731 61.605 -2.874 1
1 20 . 11 1 1 A 4 4 ILE HA H 627 4.258 3.876 0.382 1
1 21 . 11 1 1 A 4 4 ILE CB C 627 42.246 37.073 5.173 1
1 34 . 11 1 1 A 5 5 CYS N N 628 124.095 125.552 -1.457 1
1 35 . 11 1 1 A 5 5 CYS H H 628 7.766 8.242 -0.476 1
1 36 . 11 1 1 A 5 5 CYS CA C 628 57.978 59.331 -1.353 1
1 37 . 11 1 1 A 5 5 CYS HA H 628 3.781 4.415 -0.634 1
1 38 . 11 1 1 A 5 5 CYS CB C 628 31.436 27.906 3.530 1
1 41 . 11 1 1 A 6 6 ARG N N 629 129.928 128.397 1.531 1
1 42 . 11 1 1 A 6 6 ARG H H 629 9.040 8.541 0.499 1
1 43 . 11 1 1 A 6 6 ARG CA C 629 57.514 58.820 -1.306 1
1 44 . 11 1 1 A 6 6 ARG HA H 629 3.900 3.664 0.236 1
1 45 . 11 1 1 A 6 6 ARG CB C 629 30.251 29.600 0.651 1
1 54 . 11 1 1 A 7 7 VAL N N 630 118.166 117.882 0.284 1
1 55 . 11 1 1 A 7 7 VAL H H 630 8.734 7.337 1.397 1
1 56 . 11 1 1 A 7 7 VAL CA C 630 65.770 65.316 0.454 1
1 57 . 11 1 1 A 7 7 VAL HA H 630 4.137 4.030 0.107 1
1 58 . 11 1 1 A 7 7 VAL CB C 630 33.079 31.855 1.224 1
1 68 . 11 1 1 A 8 8 CYS N N 631 116.148 117.487 -1.339 1
1 69 . 11 1 1 A 8 8 CYS H H 631 8.143 7.861 0.282 1
1 70 . 11 1 1 A 8 8 CYS CA C 631 59.154 58.026 1.128 1
1 71 . 11 1 1 A 8 8 CYS HA H 631 5.105 4.471 0.634 1
1 72 . 11 1 1 A 8 8 CYS CB C 631 31.184 27.440 3.744 1
1 75 . 11 1 1 A 9 9 GLN N N 632 115.248 115.782 -0.534 1
1 76 . 11 1 1 A 9 9 GLN H H 632 8.132 8.918 -0.786 1
1 77 . 11 1 1 A 9 9 GLN CA C 632 57.404 56.820 0.584 1
1 78 . 11 1 1 A 9 9 GLN HA H 632 4.068 3.763 0.305 1
1 79 . 11 1 1 A 9 9 GLN CB C 632 26.002 26.465 -0.463 1
1 88 . 11 1 1 A 10 10 LYS N N 633 118.420 118.249 0.171 1
1 89 . 11 1 1 A 10 10 LYS H H 633 8.091 7.834 0.257 1
1 90 . 11 1 1 A 10 10 LYS CA C 633 53.835 52.873 0.962 1
1 91 . 11 1 1 A 10 10 LYS HA H 633 5.046 4.859 0.187 1
1 92 . 11 1 1 A 10 10 LYS CB C 633 33.312 33.842 -0.530 1
1 102 . 11 1 1 A 11 11 PRO CA C 634 62.136 62.578 -0.442 1
1 103 . 11 1 1 A 11 11 PRO HA H 634 5.056 5.028 0.028 1
1 104 . 11 1 1 A 11 11 PRO CB C 634 33.061 31.988 1.073 1
1 112 . 11 1 1 A 12 12 GLY N N 635 106.958 110.336 -3.378 1
1 113 . 11 1 1 A 12 12 GLY H H 635 8.475 8.154 0.321 1
1 114 . 11 1 1 A 12 12 GLY CA C 635 45.303 45.923 -0.620 1
1 115 . 11 1 1 A 12 12 GLY HA3 H 635 3.812 4.214 -0.402 1
1 116 . 11 1 1 A 12 12 GLY HA2 H 635 4.438 4.181 0.257 1
1 117 . 11 1 1 A 13 13 ASP N N 636 124.001 126.209 -2.208 1
1 118 . 11 1 1 A 13 13 ASP H H 636 8.729 8.814 -0.085 1
1 119 . 11 1 1 A 13 13 ASP CA C 636 54.239 54.281 -0.042 1
1 120 . 11 1 1 A 13 13 ASP HA H 636 4.656 4.768 -0.112 1
1 121 . 11 1 1 A 13 13 ASP CB C 636 39.425 40.606 -1.181 1
1 124 . 11 1 1 A 14 14 LEU N N 637 121.435 122.872 -1.437 1
1 125 . 11 1 1 A 14 14 LEU H H 637 7.849 7.493 0.356 1
1 126 . 11 1 1 A 14 14 LEU CA C 637 53.306 55.429 -2.123 1
1 127 . 11 1 1 A 14 14 LEU HA H 637 4.546 4.313 0.233 1
1 128 . 11 1 1 A 14 14 LEU CB C 637 44.117 42.966 1.151 1
1 141 . 11 1 1 A 15 15 VAL N N 638 118.100 123.625 -5.525 1
1 142 . 11 1 1 A 15 15 VAL H H 638 8.703 8.653 0.050 1
1 143 . 11 1 1 A 15 15 VAL CA C 638 59.865 60.322 -0.457 1
1 144 . 11 1 1 A 15 15 VAL HA H 638 4.383 4.751 -0.368 1
1 145 . 11 1 1 A 15 15 VAL CB C 638 33.305 34.164 -0.859 1
1 155 . 11 1 1 A 16 16 MET N N 639 125.271 129.874 -4.603 1
1 156 . 11 1 1 A 16 16 MET H H 639 8.519 9.136 -0.617 1
1 157 . 11 1 1 A 16 16 MET CA C 639 54.122 54.754 -0.632 1
1 158 . 11 1 1 A 16 16 MET HA H 639 5.210 5.073 0.137 1
1 159 . 11 1 1 A 16 16 MET CB C 639 36.310 34.532 1.778 1
1 169 . 11 1 1 A 17 17 CYS N N 640 129.455 124.192 5.263 1
1 170 . 11 1 1 A 17 17 CYS H H 640 9.139 9.043 0.096 1
1 171 . 11 1 1 A 17 17 CYS CA C 640 59.996 59.786 0.210 1
1 172 . 11 1 1 A 17 17 CYS HA H 640 4.658 4.281 0.377 1
1 173 . 11 1 1 A 17 17 CYS CB C 640 31.238 28.442 2.796 1
1 176 . 11 1 1 A 18 18 ASN N N 641 128.271 125.974 2.297 1
1 177 . 11 1 1 A 18 18 ASN H H 641 8.914 8.947 -0.033 1
1 178 . 11 1 1 A 18 18 ASN CA C 641 55.658 55.354 0.304 1
1 179 . 11 1 1 A 18 18 ASN HA H 641 4.584 4.520 0.064 1
1 180 . 11 1 1 A 18 18 ASN CB C 641 38.955 37.936 1.019 1
1 186 . 11 1 1 A 19 19 GLN N N 642 121.426 115.664 5.762 1
1 187 . 11 1 1 A 19 19 GLN H H 642 9.313 7.877 1.436 1
1 188 . 11 1 1 A 19 19 GLN CA C 642 57.971 56.263 1.708 1
1 189 . 11 1 1 A 19 19 GLN HA H 642 4.502 4.511 -0.009 1
1 190 . 11 1 1 A 19 19 GLN CB C 642 30.466 31.296 -0.830 1
1 197 . 11 1 1 A 20 20 CYS N N 643 120.207 114.674 5.533 1
1 198 . 11 1 1 A 20 20 CYS H H 643 8.542 7.873 0.669 1
1 199 . 11 1 1 A 20 20 CYS CA C 643 59.473 57.958 1.515 1
1 200 . 11 1 1 A 20 20 CYS HA H 643 4.663 4.688 -0.025 1
1 201 . 11 1 1 A 20 20 CYS CB C 643 31.889 27.758 4.131 1
1 204 . 11 1 1 A 21 21 GLU N N 644 114.113 115.341 -1.228 1
1 205 . 11 1 1 A 21 21 GLU H H 644 7.441 7.864 -0.423 1
1 206 . 11 1 1 A 21 21 GLU CA C 644 57.994 57.881 0.113 1
1 207 . 11 1 1 A 21 21 GLU HA H 644 4.285 4.006 0.279 1
1 208 . 11 1 1 A 21 21 GLU CB C 644 26.843 27.466 -0.623 1
1 214 . 11 1 1 A 22 22 PHE N N 645 120.911 119.828 1.083 1
1 215 . 11 1 1 A 22 22 PHE H H 645 8.941 8.115 0.826 1
1 216 . 11 1 1 A 22 22 PHE CA C 645 57.356 57.218 0.138 1
1 217 . 11 1 1 A 22 22 PHE HA H 645 4.777 4.682 0.095 1
1 218 . 11 1 1 A 22 22 PHE CB C 645 38.709 38.287 0.422 1
1 226 . 11 1 1 A 23 23 CYS N N 646 115.830 124.810 -8.980 1
1 227 . 11 1 1 A 23 23 CYS H H 646 8.137 8.270 -0.133 1
1 228 . 11 1 1 A 23 23 CYS CA C 646 56.600 57.974 -1.374 1
1 229 . 11 1 1 A 23 23 CYS HA H 646 5.813 5.462 0.351 1
1 230 . 11 1 1 A 23 23 CYS CB C 646 30.951 28.966 1.985 1
1 233 . 11 1 1 A 24 24 PHE N N 647 116.053 120.464 -4.411 1
1 234 . 11 1 1 A 24 24 PHE H H 647 9.011 9.153 -0.142 1
1 235 . 11 1 1 A 24 24 PHE CA C 647 56.827 56.917 -0.090 1
1 236 . 11 1 1 A 24 24 PHE HA H 647 5.910 4.903 1.007 1
1 237 . 11 1 1 A 24 24 PHE CB C 647 44.608 43.265 1.343 1
1 246 . 11 1 1 A 25 25 HIS N N 648 120.957 122.629 -1.672 1
1 247 . 11 1 1 A 25 25 HIS H H 648 8.427 8.517 -0.090 1
1 248 . 11 1 1 A 25 25 HIS CA C 648 58.971 57.650 1.321 1
1 249 . 11 1 1 A 25 25 HIS HA H 648 4.929 4.516 0.413 1
1 250 . 11 1 1 A 25 25 HIS CB C 648 31.178 30.259 0.919 1
1 257 . 11 1 1 A 26 26 LEU N N 649 123.176 123.987 -0.811 1
1 258 . 11 1 1 A 26 26 LEU H H 649 9.369 8.314 1.055 1
1 259 . 11 1 1 A 26 26 LEU CA C 649 59.646 58.367 1.279 1
1 260 . 11 1 1 A 26 26 LEU HA H 649 3.829 3.659 0.170 1
1 261 . 11 1 1 A 26 26 LEU CB C 649 39.426 41.470 -2.044 1
1 274 . 11 1 1 A 27 27 ASP N N 650 109.058 118.472 -9.414 1
1 275 . 11 1 1 A 27 27 ASP H H 650 8.326 8.363 -0.037 1
1 276 . 11 1 1 A 27 27 ASP CA C 650 53.998 58.076 -4.078 1
1 277 . 11 1 1 A 27 27 ASP HA H 650 4.739 4.332 0.407 1
1 278 . 11 1 1 A 27 27 ASP CB C 650 40.331 41.580 -1.249 1
1 280 . 11 1 1 A 28 28 CYS N N 651 117.495 116.579 0.916 1
1 281 . 11 1 1 A 28 28 CYS H H 651 7.480 8.296 -0.816 1
1 282 . 11 1 1 A 28 28 CYS CA C 651 61.534 63.435 -1.901 1
1 283 . 11 1 1 A 28 28 CYS HA H 651 4.245 4.430 -0.185 1
1 284 . 11 1 1 A 28 28 CYS CB C 651 31.646 27.690 3.956 1
1 286 . 11 1 1 A 29 29 HIS N N 652 116.384 121.774 -5.390 1
1 287 . 11 1 1 A 29 29 HIS H H 652 6.894 8.304 -1.410 1
1 288 . 11 1 1 A 29 29 HIS CA C 652 59.713 57.612 2.101 1
1 289 . 11 1 1 A 29 29 HIS HA H 652 3.644 4.502 -0.858 1
1 290 . 11 1 1 A 29 29 HIS CB C 652 27.909 30.589 -2.680 1
1 296 . 11 1 1 A 30 30 LEU N N 653 121.110 127.575 -6.465 1
1 297 . 11 1 1 A 30 30 LEU H H 653 4.525 8.332 -3.807 1
1 298 . 11 1 1 A 30 30 LEU CA C 653 51.439 59.187 -7.748 1
1 299 . 11 1 1 A 30 30 LEU HA H 653 4.515 3.100 1.415 1
1 300 . 11 1 1 A 30 30 LEU CB C 653 46.001 40.785 5.216 1
1 312 . 11 1 1 A 31 31 PRO CA C 654 62.964 63.426 -0.462 1
1 313 . 11 1 1 A 31 31 PRO HA H 654 4.471 4.344 0.127 1
1 314 . 11 1 1 A 31 31 PRO CB C 654 34.045 32.333 1.712 1
1 322 . 11 1 1 A 32 32 ALA N N 655 125.871 119.927 5.944 1
1 323 . 11 1 1 A 32 32 ALA H H 655 8.766 8.093 0.673 1
1 324 . 11 1 1 A 32 32 ALA CA C 655 52.771 52.981 -0.210 1
1 325 . 11 1 1 A 32 32 ALA HA H 655 4.349 4.559 -0.210 1
1 326 . 11 1 1 A 32 32 ALA CB C 655 18.177 18.036 0.141 1
1 330 . 11 1 1 A 33 33 LEU N N 656 123.348 123.768 -0.420 1
1 331 . 11 1 1 A 33 33 LEU H H 656 8.230 8.989 -0.759 1
1 332 . 11 1 1 A 33 33 LEU CA C 656 54.014 54.636 -0.622 1
1 333 . 11 1 1 A 33 33 LEU HA H 656 4.445 4.167 0.278 1
1 334 . 11 1 1 A 33 33 LEU CB C 656 43.197 42.443 0.754 1
1 347 . 11 1 1 A 34 34 GLN N N 657 119.992 119.356 0.636 1
1 348 . 11 1 1 A 34 34 GLN H H 657 8.679 8.636 0.043 1
1 349 . 11 1 1 A 34 34 GLN CA C 657 56.354 56.712 -0.358 1
1 350 . 11 1 1 A 34 34 GLN HA H 657 4.159 4.442 -0.283 1
1 351 . 11 1 1 A 34 34 GLN CB C 657 29.555 30.356 -0.801 1
1 359 . 11 1 1 A 35 35 ASP N N 658 115.420 118.011 -2.591 1
1 360 . 11 1 1 A 35 35 ASP H H 658 7.457 7.574 -0.117 1
1 361 . 11 1 1 A 35 35 ASP CA C 658 51.696 55.561 -3.865 1
1 362 . 11 1 1 A 35 35 ASP HA H 658 4.626 4.692 -0.066 1
1 363 . 11 1 1 A 35 35 ASP CB C 658 43.431 41.205 2.226 1
1 366 . 11 1 1 A 36 36 VAL N N 659 122.099 114.495 7.604 1
1 367 . 11 1 1 A 36 36 VAL H H 659 8.624 7.290 1.334 1
1 368 . 11 1 1 A 36 36 VAL CA C 659 60.994 59.808 1.186 1
1 369 . 11 1 1 A 36 36 VAL HA H 659 3.752 4.165 -0.413 1
1 370 . 11 1 1 A 36 36 VAL CB C 659 32.087 34.257 -2.170 1
1 380 . 11 1 1 A 37 37 PRO CA C 660 62.728 63.524 -0.796 1
1 381 . 11 1 1 A 37 37 PRO HA H 660 4.454 4.233 0.221 1
1 382 . 11 1 1 A 37 37 PRO CB C 660 32.835 31.490 1.345 1
1 391 . 11 1 1 A 38 38 GLY N N 661 106.940 108.534 -1.594 1
1 392 . 11 1 1 A 38 38 GLY H H 661 8.189 7.936 0.253 1
1 393 . 11 1 1 A 38 38 GLY CA C 661 44.397 45.446 -1.049 1
1 394 . 11 1 1 A 38 38 GLY HA3 H 661 3.969 3.965 0.004 1
1 395 . 11 1 1 A 38 38 GLY HA2 H 661 4.190 3.943 0.247 1
1 396 . 11 1 1 A 39 39 GLU N N 662 117.365 112.207 5.158 1
1 397 . 11 1 1 A 39 39 GLU H H 662 8.281 8.480 -0.199 1
1 398 . 11 1 1 A 39 39 GLU CA C 662 57.520 58.210 -0.690 1
1 399 . 11 1 1 A 39 39 GLU HA H 662 4.281 3.949 0.332 1
1 400 . 11 1 1 A 39 39 GLU CB C 662 30.013 27.896 2.117 1
1 405 . 11 1 1 A 40 40 GLU N N 663 117.986 117.006 0.980 1
1 406 . 11 1 1 A 40 40 GLU H H 663 8.697 8.361 0.336 1
1 407 . 11 1 1 A 40 40 GLU CA C 663 56.389 55.910 0.479 1
1 408 . 11 1 1 A 40 40 GLU HA H 663 4.293 4.570 -0.277 1
1 409 . 11 1 1 A 40 40 GLU CB C 663 28.787 30.690 -1.903 1
1 414 . 11 1 1 A 41 41 TRP N N 664 124.391 124.880 -0.489 1
1 415 . 11 1 1 A 41 41 TRP H H 664 7.967 7.723 0.244 1
1 416 . 11 1 1 A 41 41 TRP CA C 664 59.934 58.450 1.484 1
1 417 . 11 1 1 A 41 41 TRP HA H 664 4.312 4.884 -0.572 1
1 418 . 11 1 1 A 41 41 TRP CB C 664 29.998 30.210 -0.212 1
1 432 . 11 1 1 A 42 42 SER N N 665 120.355 119.738 0.617 1
1 433 . 11 1 1 A 42 42 SER H H 665 6.873 7.901 -1.028 1
1 434 . 11 1 1 A 42 42 SER CA C 665 55.166 57.133 -1.967 1
1 435 . 11 1 1 A 42 42 SER HA H 665 5.259 4.969 0.290 1
1 436 . 11 1 1 A 42 42 SER CB C 665 65.990 63.119 2.871 1
1 439 . 11 1 1 A 43 43 CYS N N 666 125.642 125.061 0.581 1
1 440 . 11 1 1 A 43 43 CYS H H 666 9.271 7.966 1.305 1
1 441 . 11 1 1 A 43 43 CYS CA C 666 57.325 58.821 -1.496 1
1 442 . 11 1 1 A 43 43 CYS HA H 666 3.952 2.231 1.721 1
1 443 . 11 1 1 A 43 43 CYS CB C 666 34.022 26.833 7.189 1
1 446 . 11 1 1 A 44 44 SER N N 667 117.158 119.138 -1.980 1
1 447 . 11 1 1 A 44 44 SER H H 667 7.068 8.301 -1.233 1
1 448 . 11 1 1 A 44 44 SER CA C 667 61.353 61.928 -0.575 1
1 449 . 11 1 1 A 44 44 SER HA H 667 4.225 4.260 -0.035 1
1 450 . 11 1 1 A 44 44 SER CB C 667 63.693 63.100 0.593 1
1 453 . 11 1 1 A 45 45 LEU N N 668 120.667 120.744 -0.077 1
1 454 . 11 1 1 A 45 45 LEU H H 668 8.965 8.047 0.918 1
1 455 . 11 1 1 A 45 45 LEU CA C 668 57.416 57.250 0.166 1
1 456 . 11 1 1 A 45 45 LEU HA H 668 4.178 4.030 0.148 1
1 457 . 11 1 1 A 45 45 LEU CB C 668 40.611 41.740 -1.129 1
1 470 . 11 1 1 A 46 46 CYS N N 669 121.872 115.409 6.463 1
1 471 . 11 1 1 A 46 46 CYS H H 669 7.816 8.416 -0.600 1
1 472 . 11 1 1 A 46 46 CYS CA C 669 62.557 59.619 2.938 1
1 473 . 11 1 1 A 46 46 CYS HA H 669 3.969 4.545 -0.576 1
1 474 . 11 1 1 A 46 46 CYS CB C 669 30.467 29.555 0.912 1
1 477 . 11 1 1 A 47 47 HIS N N 670 119.396 119.841 -0.445 1
1 478 . 11 1 1 A 47 47 HIS H H 670 8.077 7.546 0.531 1
1 479 . 11 1 1 A 47 47 HIS CA C 670 55.625 54.984 0.641 1
1 480 . 11 1 1 A 47 47 HIS HA H 670 4.429 4.709 -0.280 1
1 481 . 11 1 1 A 47 47 HIS CB C 670 30.326 30.093 0.233 1
1 488 . 11 1 1 A 48 48 VAL N N 671 123.528 124.882 -1.354 1
1 489 . 11 1 1 A 48 48 VAL H H 671 7.978 8.248 -0.270 1
1 490 . 11 1 1 A 48 48 VAL CA C 671 62.120 62.884 -0.764 1
1 491 . 11 1 1 A 48 48 VAL HA H 671 3.925 4.028 -0.103 1
1 492 . 11 1 1 A 48 48 VAL CB C 671 32.396 32.453 -0.057 1
1 502 . 11 1 1 A 49 49 LEU N N 672 126.622 128.734 -2.112 1
1 503 . 11 1 1 A 49 49 LEU H H 672 8.139 8.366 -0.227 1
1 504 . 11 1 1 A 49 49 LEU CA C 672 52.859 51.570 1.289 1
1 505 . 11 1 1 A 49 49 LEU HA H 672 4.475 4.730 -0.255 1
1 506 . 11 1 1 A 49 49 LEU CB C 672 41.536 44.749 -3.213 1
1 518 . 11 1 1 A 50 50 PRO CA C 673 62.715 62.856 -0.141 1
1 519 . 11 1 1 A 50 50 PRO HA H 673 4.386 4.651 -0.265 1
1 520 . 11 1 1 A 50 50 PRO CB C 673 32.093 32.863 -0.770 1
1 528 . 11 1 1 A 51 51 ASP N N 674 120.540 120.021 0.519 1
1 529 . 11 1 1 A 51 51 ASP H H 674 8.307 8.673 -0.366 1
1 530 . 11 1 1 A 51 51 ASP CA C 674 54.202 54.285 -0.083 1
1 531 . 11 1 1 A 51 51 ASP HA H 674 4.564 4.871 -0.307 1
1 532 . 11 1 1 A 51 51 ASP CB C 674 41.030 44.051 -3.021 1
1 535 . 11 1 1 A 52 52 LEU N N 675 122.987 121.137 1.850 1
1 536 . 11 1 1 A 52 52 LEU H H 675 8.053 7.496 0.557 1
1 537 . 11 1 1 A 52 52 LEU CA C 675 54.945 55.702 -0.757 1
1 538 . 11 1 1 A 52 52 LEU HA H 675 4.364 4.217 0.147 1
1 539 . 11 1 1 A 52 52 LEU CB C 675 42.436 41.676 0.760 1
1 551 . 11 1 1 A 53 53 LYS N N 676 122.061 125.647 -3.586 1
1 552 . 11 1 1 A 53 53 LYS H H 676 8.340 8.622 -0.282 1
1 553 . 11 1 1 A 53 53 LYS CA C 676 56.060 60.282 -4.222 1
1 554 . 11 1 1 A 53 53 LYS HA H 676 4.331 3.949 0.382 1
1 555 . 11 1 1 A 53 53 LYS CB C 676 32.363 32.360 0.003 1
1 564 . 11 1 1 A 54 54 GLU N N 677 121.909 115.738 6.171 1
1 565 . 11 1 1 A 54 54 GLU H H 677 8.403 7.867 0.536 1
1 566 . 11 1 1 A 54 54 GLU CA C 677 56.586 57.401 -0.815 1
1 567 . 11 1 1 A 54 54 GLU HA H 677 4.312 3.931 0.381 1
1 568 . 11 1 1 A 54 54 GLU CB C 677 30.221 27.710 2.511 1
1 573 . 11 1 1 A 55 55 GLU N N 678 121.528 118.709 2.819 1
1 574 . 11 1 1 A 55 55 GLU H H 678 8.486 8.559 -0.073 1
1 575 . 11 1 1 A 55 55 GLU CA C 678 56.368 56.311 0.057 1
1 576 . 11 1 1 A 55 55 GLU HA H 678 4.315 4.409 -0.094 1
1 577 . 11 1 1 A 55 55 GLU CB C 678 28.896 29.490 -0.594 1
1 582 . 11 1 1 A 56 56 ASP N N 679 121.530 118.434 3.096 1
1 583 . 11 1 1 A 56 56 ASP H H 679 8.322 8.106 0.216 1
1 584 . 11 1 1 A 56 56 ASP CA C 679 54.252 55.293 -1.041 1
1 585 . 11 1 1 A 56 56 ASP HA H 679 4.680 4.306 0.374 1
1 586 . 11 1 1 A 56 56 ASP CB C 679 41.146 40.358 0.788 1
1 588 . 11 1 1 A 57 57 GLY N N 680 109.997 108.194 1.803 1
1 589 . 11 1 1 A 57 57 GLY H H 680 8.412 8.083 0.329 1
1 590 . 11 1 1 A 57 57 GLY CA C 680 45.247 46.134 -0.887 1
1 591 . 11 1 1 A 57 57 GLY HA2 H 680 4.020 3.917 0.103 1
1 592 . 11 1 1 A 58 58 SER N N 681 115.994 115.293 0.701 1
1 593 . 11 1 1 A 58 58 SER H H 681 8.280 7.988 0.292 1
1 594 . 11 1 1 A 58 58 SER CA C 681 58.239 57.941 0.298 1
1 595 . 11 1 1 A 58 58 SER HA H 681 3.996 4.767 -0.771 1
1 596 . 11 1 1 A 58 58 SER CB C 681 63.789 65.919 -2.130 1
1 598 . 11 1 1 A 59 59 LEU N N 682 123.362 121.860 1.502 1
1 599 . 11 1 1 A 59 59 LEU H H 682 8.164 8.120 0.044 1
1 600 . 11 1 1 A 59 59 LEU CA C 682 55.160 55.690 -0.530 1
1 601 . 11 1 1 A 59 59 LEU HA H 682 4.427 4.017 0.410 1
1 602 . 11 1 1 A 59 59 LEU CB C 682 42.473 40.819 1.654 1
1 614 . 11 1 1 A 60 60 SER N N 683 116.385 118.427 -2.042 1
1 615 . 11 1 1 A 60 60 SER H H 683 8.226 8.302 -0.076 1
1 616 . 11 1 1 A 60 60 SER CA C 683 58.004 57.036 0.968 1
1 617 . 11 1 1 A 60 60 SER HA H 683 4.517 4.815 -0.298 1
1 618 . 11 1 1 A 60 60 SER CB C 683 63.651 63.423 0.228 1
1 620 . 11 1 1 A 61 61 LEU N N 684 124.466 124.492 -0.026 1
1 621 . 11 1 1 A 61 61 LEU H H 684 8.303 8.086 0.217 1
1 622 . 11 1 1 A 61 61 LEU CA C 684 54.959 56.814 -1.855 1
1 623 . 11 1 1 A 61 61 LEU HA H 684 4.412 4.115 0.297 1
1 624 . 11 1 1 A 61 61 LEU CB C 684 41.713 41.487 0.226 1
1 635 . 11 1 1 A 62 62 ASP N N 685 120.536 120.222 0.314 1
1 636 . 11 1 1 A 62 62 ASP H H 685 8.267 7.635 0.632 1
1 637 . 11 1 1 A 62 62 ASP CA C 685 54.276 54.815 -0.539 1
1 638 . 11 1 1 A 62 62 ASP HA H 685 4.680 4.558 0.122 1
1 639 . 11 1 1 A 62 62 ASP CB C 685 41.125 41.146 -0.021 1
1 642 . 11 1 1 A 63 63 GLY N N 686 109.373 109.091 0.282 1
1 643 . 11 1 1 A 63 63 GLY H H 686 8.277 8.797 -0.520 1
1 644 . 11 1 1 A 63 63 GLY CA C 686 45.297 47.233 -1.936 1
1 645 . 11 1 1 A 63 63 GLY HA2 H 686 3.992 3.944 0.048 1
1 646 . 11 1 1 A 64 64 ALA N N 687 123.584 124.002 -0.418 1
1 647 . 11 1 1 A 64 64 ALA H H 687 8.129 7.710 0.419 1
1 648 . 11 1 1 A 64 64 ALA CA C 687 52.637 51.118 1.519 1
1 649 . 11 1 1 A 64 64 ALA HA H 687 4.379 4.596 -0.217 1
1 650 . 11 1 1 A 64 64 ALA CB C 687 19.122 20.244 -1.122 1
1 654 . 11 1 1 A 65 65 ASP N N 688 118.924 118.985 -0.061 1
1 655 . 11 1 1 A 65 65 ASP H H 688 8.326 8.571 -0.245 1
1 656 . 11 1 1 A 65 65 ASP CA C 688 53.972 55.202 -1.230 1
1 657 . 11 1 1 A 65 65 ASP HA H 688 4.682 4.468 0.214 1
1 658 . 11 1 1 A 65 65 ASP CB C 688 41.061 40.456 0.605 1
1 660 . 11 1 1 A 66 66 SER N N 689 116.036 119.908 -3.872 1
1 661 . 11 1 1 A 66 66 SER H H 689 8.285 8.894 -0.609 1
1 662 . 11 1 1 A 66 66 SER CA C 689 58.352 57.083 1.269 1
1 663 . 11 1 1 A 66 66 SER HA H 689 4.443 4.912 -0.469 1
1 664 . 11 1 1 A 66 66 SER CB C 689 63.665 65.499 -1.834 1
1 666 . 11 1 1 A 67 67 THR N N 690 115.059 121.200 -6.141 1
1 667 . 11 1 1 A 67 67 THR H H 690 8.253 8.878 -0.625 1
1 668 . 11 1 1 A 67 67 THR CA C 690 62.556 63.508 -0.952 1
1 669 . 11 1 1 A 67 67 THR HA H 690 4.379 4.043 0.336 1
1 670 . 11 1 1 A 67 67 THR CB C 690 69.623 66.843 2.780 1
1 676 . 11 1 1 A 68 68 GLY N N 691 111.091 108.369 2.722 1
1 677 . 11 1 1 A 68 68 GLY H H 691 8.366 8.018 0.348 1
1 678 . 11 1 1 A 68 68 GLY CA C 691 45.297 45.544 -0.247 1
1 679 . 11 1 1 A 68 68 GLY HA2 H 691 4.002 4.131 -0.129 1
1 680 . 11 1 1 A 69 69 VAL N N 692 119.280 118.936 0.344 1
1 681 . 11 1 1 A 69 69 VAL H H 692 7.876 7.976 -0.100 1
1 682 . 11 1 1 A 69 69 VAL CA C 692 62.068 62.908 -0.840 1
1 683 . 11 1 1 A 69 69 VAL HA H 692 4.176 3.838 0.338 1
1 684 . 11 1 1 A 69 69 VAL CB C 692 32.322 30.191 2.131 1
1 690 . 11 1 1 A 70 70 VAL N N 693 123.601 127.567 -3.966 1
1 691 . 11 1 1 A 70 70 VAL H H 693 8.102 8.355 -0.253 1
1 692 . 11 1 1 A 70 70 VAL CA C 693 61.886 62.176 -0.290 1
1 693 . 11 1 1 A 70 70 VAL HA H 693 4.150 4.039 0.111 1
1 694 . 11 1 1 A 70 70 VAL CB C 693 32.429 32.744 -0.315 1
1 700 . 11 1 1 A 71 71 ALA N N 694 129.048 123.905 5.143 1
1 701 . 11 1 1 A 71 71 ALA H H 694 8.374 8.702 -0.328 1
1 702 . 11 1 1 A 71 71 ALA CA C 694 52.125 54.590 -2.465 1
1 703 . 11 1 1 A 71 71 ALA HA H 694 4.454 3.961 0.493 1
1 704 . 11 1 1 A 71 71 ALA CB C 694 19.203 17.105 2.098 1
1 708 . 11 1 1 A 72 72 LYS N N 695 118.535 117.611 0.924 1
1 709 . 11 1 1 A 72 72 LYS H H 695 7.833 8.281 -0.448 1
1 710 . 11 1 1 A 72 72 LYS CA C 695 54.556 58.961 -4.405 1
1 711 . 11 1 1 A 72 72 LYS HA H 695 4.827 4.098 0.729 1
1 712 . 11 1 1 A 72 72 LYS CB C 695 35.245 32.225 3.020 1
1 722 . 11 1 1 A 73 73 LEU N N 696 121.834 121.089 0.745 1
1 723 . 11 1 1 A 73 73 LEU H H 696 8.772 7.764 1.008 1
1 724 . 11 1 1 A 73 73 LEU CA C 696 54.973 56.548 -1.575 1
1 725 . 11 1 1 A 73 73 LEU HA H 696 4.268 4.150 0.118 1
1 726 . 11 1 1 A 73 73 LEU CB C 696 42.467 42.678 -0.211 1
1 739 . 11 1 1 A 74 74 SER N N 697 121.120 111.274 9.846 1
1 740 . 11 1 1 A 74 74 SER H H 697 8.890 7.563 1.327 1
1 741 . 11 1 1 A 74 74 SER CA C 697 56.165 58.521 -2.356 1
1 742 . 11 1 1 A 74 74 SER HA H 697 4.710 4.616 0.094 1
1 743 . 11 1 1 A 74 74 SER CB C 697 62.177 65.563 -3.386 1
1 745 . 11 1 1 A 75 75 PRO CA C 698 66.251 65.721 0.530 1
1 746 . 11 1 1 A 75 75 PRO HA H 698 4.350 4.327 0.023 1
1 747 . 11 1 1 A 75 75 PRO CB C 698 31.661 31.607 0.054 1
1 755 . 11 1 1 A 76 76 ALA N N 699 117.914 118.869 -0.955 1
1 756 . 11 1 1 A 76 76 ALA H H 699 8.458 8.061 0.397 1
1 757 . 11 1 1 A 76 76 ALA CA C 699 55.000 54.931 0.069 1
1 758 . 11 1 1 A 76 76 ALA HA H 699 4.132 4.073 0.059 1
1 759 . 11 1 1 A 76 76 ALA CB C 699 18.785 18.298 0.487 1
1 763 . 11 1 1 A 77 77 ASN N N 700 116.945 117.866 -0.921 1
1 764 . 11 1 1 A 77 77 ASN H H 700 7.760 8.377 -0.617 1
1 765 . 11 1 1 A 77 77 ASN CA C 700 55.210 56.006 -0.796 1
1 766 . 11 1 1 A 77 77 ASN HA H 700 4.763 4.309 0.454 1
1 767 . 11 1 1 A 77 77 ASN CB C 700 38.005 38.150 -0.145 1
1 770 . 11 1 1 A 78 78 GLN N N 701 124.719 120.420 4.299 1
1 771 . 11 1 1 A 78 78 GLN H H 701 9.480 7.993 1.487 1
1 772 . 11 1 1 A 78 78 GLN CA C 701 59.634 59.346 0.288 1
1 773 . 11 1 1 A 78 78 GLN HA H 701 3.673 4.088 -0.415 1
1 774 . 11 1 1 A 78 78 GLN CB C 701 27.114 28.521 -1.407 1
1 782 . 11 1 1 A 79 79 ARG N N 702 117.069 119.155 -2.086 1
1 783 . 11 1 1 A 79 79 ARG H H 702 7.654 7.646 0.008 1
1 784 . 11 1 1 A 79 79 ARG CA C 702 57.561 59.799 -2.238 1
1 785 . 11 1 1 A 79 79 ARG HA H 702 4.487 3.930 0.557 1
1 786 . 11 1 1 A 79 79 ARG CB C 702 29.680 30.050 -0.370 1
1 794 . 11 1 1 A 80 80 LYS N N 703 119.251 119.326 -0.075 1
1 795 . 11 1 1 A 80 80 LYS H H 703 7.636 8.708 -1.072 1
1 796 . 11 1 1 A 80 80 LYS CA C 703 60.735 59.396 1.339 1
1 797 . 11 1 1 A 80 80 LYS HA H 703 3.702 4.078 -0.376 1
1 798 . 11 1 1 A 80 80 LYS CB C 703 34.002 32.362 1.640 1
1 808 . 11 1 1 A 81 81 CYS N N 704 115.848 118.751 -2.903 1
1 809 . 11 1 1 A 81 81 CYS H H 704 8.031 8.157 -0.126 1
1 810 . 11 1 1 A 81 81 CYS CA C 704 64.823 63.770 1.053 1
1 811 . 11 1 1 A 81 81 CYS HA H 704 3.687 4.009 -0.322 1
1 812 . 11 1 1 A 81 81 CYS CB C 704 26.491 26.419 0.072 1
1 815 . 11 1 1 A 82 82 GLU N N 705 118.931 119.458 -0.527 1
1 816 . 11 1 1 A 82 82 GLU H H 705 8.286 8.648 -0.362 1
1 817 . 11 1 1 A 82 82 GLU CA C 705 59.887 59.689 0.198 1
1 818 . 11 1 1 A 82 82 GLU HA H 705 3.589 4.065 -0.476 1
1 819 . 11 1 1 A 82 82 GLU CB C 705 29.067 29.232 -0.165 1
1 825 . 11 1 1 A 83 83 ARG N N 706 119.029 120.935 -1.906 1
1 826 . 11 1 1 A 83 83 ARG H H 706 7.931 8.349 -0.418 1
1 827 . 11 1 1 A 83 83 ARG CA C 706 60.133 58.538 1.595 1
1 828 . 11 1 1 A 83 83 ARG HA H 706 3.748 4.217 -0.469 1
1 829 . 11 1 1 A 83 83 ARG CB C 706 30.197 29.973 0.224 1
1 838 . 11 1 1 A 84 84 VAL N N 707 119.247 119.859 -0.612 1
1 839 . 11 1 1 A 84 84 VAL H H 707 7.762 8.489 -0.727 1
1 840 . 11 1 1 A 84 84 VAL CA C 707 67.133 66.594 0.539 1
1 841 . 11 1 1 A 84 84 VAL HA H 707 3.562 3.807 -0.245 1
1 842 . 11 1 1 A 84 84 VAL CB C 707 31.857 31.954 -0.097 1
1 852 . 11 1 1 A 85 85 LEU N N 708 119.414 119.993 -0.579 1
1 853 . 11 1 1 A 85 85 LEU H H 708 8.844 8.560 0.284 1
1 854 . 11 1 1 A 85 85 LEU CA C 708 57.561 58.237 -0.676 1
1 855 . 11 1 1 A 85 85 LEU HA H 708 4.366 4.081 0.285 1
1 856 . 11 1 1 A 85 85 LEU CB C 708 41.320 40.803 0.517 1
1 869 . 11 1 1 A 86 86 LEU N N 709 120.156 119.598 0.558 1
1 870 . 11 1 1 A 86 86 LEU H H 709 9.044 8.046 0.998 1
1 871 . 11 1 1 A 86 86 LEU CA C 709 57.977 58.076 -0.099 1
1 872 . 11 1 1 A 86 86 LEU HA H 709 4.382 4.030 0.352 1
1 873 . 11 1 1 A 86 86 LEU CB C 709 41.069 41.575 -0.506 1
1 886 . 11 1 1 A 87 87 ALA N N 710 121.264 121.482 -0.218 1
1 887 . 11 1 1 A 87 87 ALA H H 710 8.136 8.734 -0.598 1
1 888 . 11 1 1 A 87 87 ALA CA C 710 55.439 55.505 -0.066 1
1 889 . 11 1 1 A 87 87 ALA HA H 710 4.217 4.357 -0.140 1
1 890 . 11 1 1 A 87 87 ALA CB C 710 17.525 18.693 -1.168 1
1 894 . 11 1 1 A 88 88 LEU N N 711 117.148 118.450 -1.302 1
1 895 . 11 1 1 A 88 88 LEU H H 711 8.158 8.917 -0.759 1
1 896 . 11 1 1 A 88 88 LEU CA C 711 58.688 57.442 1.246 1
1 897 . 11 1 1 A 88 88 LEU HA H 711 4.401 5.461 -1.060 1
1 898 . 11 1 1 A 88 88 LEU CB C 711 41.534 41.706 -0.172 1
1 911 . 11 1 1 A 89 89 PHE N N 712 117.048 116.867 0.181 1
1 912 . 11 1 1 A 89 89 PHE H H 712 8.536 8.083 0.453 1
1 913 . 11 1 1 A 89 89 PHE CA C 712 62.732 60.501 2.231 1
1 914 . 11 1 1 A 89 89 PHE HA H 712 3.971 5.526 -1.555 1
1 915 . 11 1 1 A 89 89 PHE CB C 712 40.351 40.287 0.064 1
1 922 . 11 1 1 A 90 90 CYS N N 713 111.682 118.360 -6.678 1
1 923 . 11 1 1 A 90 90 CYS H H 713 7.689 8.959 -1.270 1
1 924 . 11 1 1 A 90 90 CYS CA C 713 60.573 62.858 -2.285 1
1 925 . 11 1 1 A 90 90 CYS HA H 713 4.614 3.759 0.855 1
1 926 . 11 1 1 A 90 90 CYS CB C 713 28.820 27.457 1.363 1
1 929 . 11 1 1 A 91 91 HIS N N 714 123.036 117.937 5.099 1
1 930 . 11 1 1 A 91 91 HIS H H 714 7.517 7.725 -0.208 1
1 931 . 11 1 1 A 91 91 HIS CA C 714 54.945 55.148 -0.203 1
1 932 . 11 1 1 A 91 91 HIS HA H 714 4.939 4.334 0.605 1
1 933 . 11 1 1 A 91 91 HIS CB C 714 31.433 31.276 0.157 1
1 940 . 11 1 1 A 92 92 GLU CA C 715 61.506 60.487 1.019 1
1 941 . 11 1 1 A 92 92 GLU HA H 715 4.052 3.955 0.097 1
1 942 . 11 1 1 A 92 92 GLU CB C 715 26.765 29.731 -2.966 1
1 947 . 11 1 1 A 93 93 PRO CA C 716 65.272 66.560 -1.288 1
1 948 . 11 1 1 A 93 93 PRO HA H 716 4.294 4.433 -0.139 1
1 949 . 11 1 1 A 93 93 PRO CB C 716 31.486 30.902 0.584 1
1 958 . 11 1 1 A 94 94 CYS N N 717 110.309 115.677 -5.368 1
1 959 . 11 1 1 A 94 94 CYS H H 717 7.667 8.570 -0.903 1
1 960 . 11 1 1 A 94 94 CYS CA C 717 58.484 62.573 -4.089 1
1 961 . 11 1 1 A 94 94 CYS HA H 717 4.406 4.566 -0.160 1
1 962 . 11 1 1 A 94 94 CYS CB C 717 28.612 27.750 0.862 1
1 965 . 11 1 1 A 95 95 ARG N N 718 122.655 120.294 2.361 1
1 966 . 11 1 1 A 95 95 ARG H H 718 7.928 8.434 -0.506 1
1 967 . 11 1 1 A 95 95 ARG CA C 718 60.829 60.605 0.224 1
1 968 . 11 1 1 A 95 95 ARG HA H 718 3.740 3.430 0.310 1
1 969 . 11 1 1 A 95 95 ARG CB C 718 28.131 29.005 -0.874 1
1 977 . 11 1 1 A 96 96 PRO CA C 719 65.328 66.228 -0.900 1
1 978 . 11 1 1 A 96 96 PRO HA H 719 4.456 4.035 0.421 1
1 979 . 11 1 1 A 96 96 PRO CB C 719 31.665 30.258 1.407 1
1 987 . 11 1 1 A 97 97 LEU N N 720 112.429 117.337 -4.908 1
1 988 . 11 1 1 A 97 97 LEU H H 720 7.720 7.224 0.496 1
1 989 . 11 1 1 A 97 97 LEU CA C 720 54.707 57.440 -2.733 1
1 990 . 11 1 1 A 97 97 LEU HA H 720 4.228 3.639 0.589 1
1 991 . 11 1 1 A 97 97 LEU CB C 720 40.391 41.377 -0.986 1
1 1004 . 11 1 1 A 98 98 HIS N N 721 118.891 117.134 1.757 1
1 1005 . 11 1 1 A 98 98 HIS H H 721 7.964 8.812 -0.848 1
1 1006 . 11 1 1 A 98 98 HIS CA C 721 60.901 58.742 2.159 1
1 1007 . 11 1 1 A 98 98 HIS HA H 721 4.190 4.164 0.026 1
1 1008 . 11 1 1 A 98 98 HIS CB C 721 31.678 29.544 2.134 1
1 1015 . 11 1 1 A 99 99 GLN N N 722 116.787 114.052 2.735 1
1 1016 . 11 1 1 A 99 99 GLN H H 722 8.090 7.821 0.269 1
1 1017 . 11 1 1 A 99 99 GLN CA C 722 55.180 54.625 0.555 1
1 1018 . 11 1 1 A 99 99 GLN HA H 722 4.808 4.511 0.297 1
1 1019 . 11 1 1 A 99 99 GLN CB C 722 30.690 27.557 3.133 1
1 1024 . 11 1 1 A 100 100 LEU H H 723 9.277 7.368 1.909 1
1 1025 . 11 1 1 A 100 100 LEU CA C 723 55.397 57.223 -1.826 1
1 1026 . 11 1 1 A 100 100 LEU HA H 723 4.566 4.081 0.485 1
1 1027 . 11 1 1 A 100 100 LEU CB C 723 43.862 41.977 1.885 1
1 1040 . 11 1 1 A 101 101 ALA N N 724 123.211 120.793 2.418 1
1 1041 . 11 1 1 A 101 101 ALA H H 724 8.577 7.763 0.814 1
1 1042 . 11 1 1 A 101 101 ALA CA C 724 52.591 50.956 1.635 1
1 1043 . 11 1 1 A 101 101 ALA HA H 724 4.392 4.428 -0.036 1
1 1044 . 11 1 1 A 101 101 ALA CB C 724 19.262 20.156 -0.894 1
1 1048 . 11 1 1 A 102 102 THR N N 725 112.189 111.231 0.958 1
1 1049 . 11 1 1 A 102 102 THR H H 725 8.069 8.335 -0.266 1
1 1050 . 11 1 1 A 102 102 THR CA C 725 61.802 60.701 1.101 1
1 1051 . 11 1 1 A 102 102 THR HA H 725 4.366 4.703 -0.337 1
1 1052 . 11 1 1 A 102 102 THR CB C 725 69.684 69.242 0.442 1
1 1058 . 11 1 1 A 103 103 ASP N N 726 121.846 123.682 -1.836 1
1 1059 . 11 1 1 A 103 103 ASP H H 726 8.195 8.235 -0.040 1
1 1060 . 11 1 1 A 103 103 ASP CA C 726 54.057 57.367 -3.310 1
1 1061 . 11 1 1 A 103 103 ASP HA H 726 4.681 4.408 0.273 1
1 1062 . 11 1 1 A 103 103 ASP CB C 726 41.228 40.353 0.875 1
1 1064 . 11 1 1 A 104 104 SER N N 727 116.230 114.236 1.994 1
1 1065 . 11 1 1 A 104 104 SER H H 727 8.260 8.239 0.021 1
1 1066 . 11 1 1 A 104 104 SER CA C 727 58.945 59.027 -0.082 1
1 1067 . 11 1 1 A 104 104 SER HA H 727 4.468 4.195 0.273 1
1 1068 . 11 1 1 A 104 104 SER CB C 727 63.856 60.917 2.939 1
1 1070 . 11 1 1 A 105 105 THR N N 728 115.362 108.855 6.507 1
1 1071 . 11 1 1 A 105 105 THR H H 728 8.205 8.352 -0.147 1
1 1072 . 11 1 1 A 105 105 THR CA C 728 62.744 62.489 0.255 1
1 1073 . 11 1 1 A 105 105 THR HA H 728 4.238 4.076 0.162 1
1 1074 . 11 1 1 A 105 105 THR CB C 728 69.490 66.697 2.793 1
1 1080 . 11 1 1 A 106 106 PHE N N 729 121.735 121.741 -0.006 1
1 1081 . 11 1 1 A 106 106 PHE H H 729 8.047 8.007 0.040 1
1 1082 . 11 1 1 A 106 106 PHE CA C 729 57.966 58.156 -0.190 1
1 1083 . 11 1 1 A 106 106 PHE HA H 729 4.626 4.728 -0.102 1
1 1084 . 11 1 1 A 106 106 PHE CB C 729 39.633 41.514 -1.881 1
1 1090 . 11 1 1 A 107 107 SER N N 730 116.751 113.643 3.108 1
1 1091 . 11 1 1 A 107 107 SER H H 730 7.962 8.483 -0.521 1
1 1092 . 11 1 1 A 107 107 SER CA C 730 57.921 60.392 -2.471 1
1 1093 . 11 1 1 A 107 107 SER HA H 730 4.413 4.411 0.002 1
1 1094 . 11 1 1 A 107 107 SER CB C 730 63.659 62.703 0.956 1
1 1097 . 11 1 1 A 108 108 LEU N N 731 123.373 121.420 1.953 1
1 1098 . 11 1 1 A 108 108 LEU H H 731 8.212 7.912 0.300 1
1 1099 . 11 1 1 A 108 108 LEU CA C 731 55.650 56.469 -0.819 1
1 1100 . 11 1 1 A 108 108 LEU HA H 731 4.265 4.335 -0.070 1
1 1101 . 11 1 1 A 108 108 LEU CB C 731 42.257 43.029 -0.772 1
1 1113 . 11 1 1 A 109 109 ASP N N 732 118.496 118.352 0.144 1
1 1114 . 11 1 1 A 109 109 ASP H H 732 8.172 7.730 0.442 1
1 1115 . 11 1 1 A 109 109 ASP CA C 732 54.239 53.312 0.927 1
1 1116 . 11 1 1 A 109 109 ASP HA H 732 4.566 4.914 -0.348 1
1 1117 . 11 1 1 A 109 109 ASP CB C 732 41.124 42.294 -1.170 1
1 1120 . 11 1 1 A 110 110 GLN N N 733 119.403 120.903 -1.500 1
1 1121 . 11 1 1 A 110 110 GLN H H 733 7.707 7.299 0.408 1
1 1122 . 11 1 1 A 110 110 GLN CA C 733 53.251 54.219 -0.968 1
1 1123 . 11 1 1 A 110 110 GLN HA H 733 4.675 3.890 0.785 1
1 1124 . 11 1 1 A 110 110 GLN CB C 733 29.061 29.549 -0.488 1
1 1129 . 11 1 1 A 111 111 PRO CA C 734 63.869 63.704 0.165 1
1 1130 . 11 1 1 A 111 111 PRO HA H 734 4.435 4.277 0.158 1
1 1131 . 11 1 1 A 111 111 PRO CB C 734 31.900 31.663 0.237 1
1 1139 . 11 1 1 A 112 112 GLY N N 735 109.783 107.742 2.041 1
1 1140 . 11 1 1 A 112 112 GLY H H 735 8.510 7.441 1.069 1
1 1141 . 11 1 1 A 112 112 GLY CA C 735 44.954 45.186 -0.232 1
1 1142 . 11 1 1 A 112 112 GLY HA3 H 735 3.903 4.025 -0.122 1
1 1143 . 11 1 1 A 112 112 GLY HA2 H 735 3.994 4.020 -0.026 1
1 1144 . 11 1 1 A 113 113 GLY N N 736 108.485 107.638 0.847 1
1 1145 . 11 1 1 A 113 113 GLY H H 736 8.138 8.064 0.074 1
1 1146 . 11 1 1 A 113 113 GLY CA C 736 44.755 44.171 0.584 1
1 1147 . 11 1 1 A 113 113 GLY HA3 H 736 3.899 3.999 -0.100 1
1 1148 . 11 1 1 A 113 113 GLY HA2 H 736 3.964 3.989 -0.025 1
1 1149 . 11 1 1 A 114 114 THR N N 737 116.361 114.367 1.994 1
1 1150 . 11 1 1 A 114 114 THR H H 737 7.951 8.305 -0.354 1
1 1151 . 11 1 1 A 114 114 THR CA C 737 62.508 61.329 1.179 1
1 1152 . 11 1 1 A 114 114 THR HA H 737 4.189 4.859 -0.670 1
1 1153 . 11 1 1 A 114 114 THR CB C 737 69.780 71.658 -1.878 1
1 1159 . 11 1 1 A 115 115 LEU N N 738 125.899 129.094 -3.195 1
1 1160 . 11 1 1 A 115 115 LEU H H 738 8.575 8.713 -0.138 1
1 1161 . 11 1 1 A 115 115 LEU CA C 738 54.534 55.741 -1.207 1
1 1162 . 11 1 1 A 115 115 LEU HA H 738 4.452 4.313 0.139 1
1 1163 . 11 1 1 A 115 115 LEU CB C 738 45.506 42.224 3.282 1
1 1176 . 11 1 1 A 116 116 ASP N N 739 115.416 121.907 -6.491 1
1 1177 . 11 1 1 A 116 116 ASP H H 739 6.819 8.698 -1.879 1
1 1178 . 11 1 1 A 116 116 ASP CA C 739 52.606 52.814 -0.208 1
1 1179 . 11 1 1 A 116 116 ASP HA H 739 4.472 4.855 -0.383 1
1 1180 . 11 1 1 A 116 116 ASP CB C 739 42.811 43.177 -0.366 1
1 1183 . 11 1 1 A 117 117 LEU N N 740 115.281 121.085 -5.804 1
1 1184 . 11 1 1 A 117 117 LEU H H 740 8.213 8.638 -0.425 1
1 1185 . 11 1 1 A 117 117 LEU CA C 740 57.750 58.030 -0.280 1
1 1186 . 11 1 1 A 117 117 LEU HA H 740 3.841 3.823 0.018 1
1 1187 . 11 1 1 A 117 117 LEU CB C 740 42.005 41.422 0.583 1
1 1200 . 11 1 1 A 118 118 THR N N 741 116.995 109.461 7.534 1
1 1201 . 11 1 1 A 118 118 THR H H 741 8.152 7.532 0.620 1
1 1202 . 11 1 1 A 118 118 THR CA C 741 68.068 65.742 2.326 1
1 1203 . 11 1 1 A 118 118 THR HA H 741 4.054 4.110 -0.056 1
1 1204 . 11 1 1 A 118 118 THR CB C 741 68.392 68.460 -0.068 1
1 1210 . 11 1 1 A 119 119 LEU N N 742 127.180 123.945 3.235 1
1 1211 . 11 1 1 A 119 119 LEU H H 742 8.804 8.004 0.800 1
1 1212 . 11 1 1 A 119 119 LEU CA C 742 58.460 58.462 -0.002 1
1 1213 . 11 1 1 A 119 119 LEU HA H 742 4.214 3.911 0.303 1
1 1214 . 11 1 1 A 119 119 LEU CB C 742 42.491 41.864 0.627 1
1 1227 . 11 1 1 A 120 120 ILE N N 743 120.880 119.411 1.469 1
1 1228 . 11 1 1 A 120 120 ILE H H 743 7.884 8.148 -0.264 1
1 1229 . 11 1 1 A 120 120 ILE CA C 743 65.546 65.648 -0.102 1
1 1230 . 11 1 1 A 120 120 ILE HA H 743 4.101 3.553 0.548 1
1 1231 . 11 1 1 A 120 120 ILE CB C 743 38.693 37.830 0.863 1
1 1244 . 11 1 1 A 121 121 ARG N N 744 119.772 120.737 -0.965 1
1 1245 . 11 1 1 A 121 121 ARG H H 744 8.792 8.704 0.088 1
1 1246 . 11 1 1 A 121 121 ARG CA C 744 60.369 59.358 1.011 1
1 1247 . 11 1 1 A 121 121 ARG HA H 744 3.896 3.570 0.326 1
1 1248 . 11 1 1 A 121 121 ARG CB C 744 30.241 30.097 0.144 1
1 1257 . 11 1 1 A 122 122 ALA N N 745 120.978 122.123 -1.145 1
1 1258 . 11 1 1 A 122 122 ALA H H 745 8.303 8.190 0.113 1
1 1259 . 11 1 1 A 122 122 ALA CA C 745 55.203 55.386 -0.183 1
1 1260 . 11 1 1 A 122 122 ALA HA H 745 4.246 3.963 0.283 1
1 1261 . 11 1 1 A 122 122 ALA CB C 745 18.005 18.417 -0.412 1
1 1265 . 11 1 1 A 123 123 ARG N N 746 119.408 117.951 1.457 1
1 1266 . 11 1 1 A 123 123 ARG H H 746 8.224 7.842 0.382 1
1 1267 . 11 1 1 A 123 123 ARG CA C 746 59.895 59.203 0.692 1
1 1268 . 11 1 1 A 123 123 ARG HA H 746 4.335 4.120 0.215 1
1 1269 . 11 1 1 A 123 123 ARG CB C 746 29.768 30.285 -0.517 1
1 1279 . 11 1 1 A 124 124 LEU N N 747 125.115 121.421 3.694 1
1 1280 . 11 1 1 A 124 124 LEU H H 747 9.029 7.926 1.103 1
1 1281 . 11 1 1 A 124 124 LEU CA C 747 57.559 57.390 0.169 1
1 1282 . 11 1 1 A 124 124 LEU HA H 747 4.925 3.600 1.325 1
1 1283 . 11 1 1 A 124 124 LEU CB C 747 42.721 41.143 1.578 1
1 1296 . 11 1 1 A 125 125 GLN N N 748 114.117 118.060 -3.943 1
1 1297 . 11 1 1 A 125 125 GLN H H 748 8.418 8.257 0.161 1
1 1298 . 11 1 1 A 125 125 GLN CA C 748 55.664 57.416 -1.752 1
1 1299 . 11 1 1 A 125 125 GLN HA H 748 4.444 4.319 0.125 1
1 1300 . 11 1 1 A 125 125 GLN CB C 748 29.301 29.279 0.022 1
1 1309 . 11 1 1 A 126 126 GLU N N 749 113.381 116.564 -3.183 1
1 1310 . 11 1 1 A 126 126 GLU H H 749 7.978 8.012 -0.034 1
1 1311 . 11 1 1 A 126 126 GLU CA C 749 57.789 56.677 1.112 1
1 1312 . 11 1 1 A 126 126 GLU HA H 749 4.156 4.783 -0.627 1
1 1313 . 11 1 1 A 126 126 GLU CB C 749 25.906 32.883 -6.977 1
1 1318 . 11 1 1 A 127 127 LYS N N 750 116.557 120.240 -3.683 1
1 1319 . 11 1 1 A 127 127 LYS H H 750 8.538 8.291 0.247 1
1 1320 . 11 1 1 A 127 127 LYS CA C 750 56.417 59.085 -2.668 1
1 1321 . 11 1 1 A 127 127 LYS HA H 750 4.344 3.979 0.365 1
1 1322 . 11 1 1 A 127 127 LYS CB C 750 33.029 32.363 0.666 1
1 1332 . 11 1 1 A 128 128 LEU N N 751 119.986 118.717 1.269 1
1 1333 . 11 1 1 A 128 128 LEU H H 751 6.949 8.096 -1.147 1
1 1334 . 11 1 1 A 128 128 LEU CA C 751 53.476 58.014 -4.538 1
1 1335 . 11 1 1 A 128 128 LEU HA H 751 4.532 4.077 0.455 1
1 1336 . 11 1 1 A 128 128 LEU CB C 751 45.503 41.188 4.315 1
1 1349 . 11 1 1 A 129 129 SER N N 752 118.455 113.658 4.797 1
1 1350 . 11 1 1 A 129 129 SER H H 752 8.225 7.801 0.424 1
1 1351 . 11 1 1 A 129 129 SER CA C 752 56.129 58.865 -2.736 1
1 1352 . 11 1 1 A 129 129 SER HA H 752 4.434 4.795 -0.361 1
1 1353 . 11 1 1 A 129 129 SER CB C 752 63.911 65.087 -1.176 1
1 1356 . 11 1 1 A 130 130 PRO CA C 753 61.355 61.880 -0.525 1
1 1357 . 11 1 1 A 130 130 PRO HA H 753 5.026 4.644 0.382 1
1 1358 . 11 1 1 A 130 130 PRO CB C 753 32.831 32.835 -0.004 1
1 1366 . 11 1 1 A 131 131 PRO CA C 754 62.470 62.211 0.259 1
1 1367 . 11 1 1 A 131 131 PRO HA H 754 4.651 4.696 -0.045 1
1 1368 . 11 1 1 A 131 131 PRO CB C 754 32.403 32.675 -0.272 1
1 1377 . 11 1 1 A 132 132 TYR N N 755 121.321 121.851 -0.530 1
1 1378 . 11 1 1 A 132 132 TYR H H 755 9.635 8.470 1.165 1
1 1379 . 11 1 1 A 132 132 TYR CA C 755 60.382 58.551 1.831 1
1 1380 . 11 1 1 A 132 132 TYR HA H 755 4.433 5.161 -0.728 1
1 1381 . 11 1 1 A 132 132 TYR CB C 755 38.713 39.089 -0.376 1
1 1388 . 11 1 1 A 133 133 SER N N 756 114.917 117.616 -2.699 1
1 1389 . 11 1 1 A 133 133 SER H H 756 9.343 8.894 0.449 1
1 1390 . 11 1 1 A 133 133 SER CA C 756 58.776 57.563 1.213 1
1 1391 . 11 1 1 A 133 133 SER HA H 756 4.430 4.765 -0.335 1
1 1392 . 11 1 1 A 133 133 SER CB C 756 64.839 64.991 -0.152 1
1 1394 . 11 1 1 A 134 134 SER N N 757 112.021 114.895 -2.874 1
1 1395 . 11 1 1 A 134 134 SER H H 757 7.500 7.039 0.461 1
1 1396 . 11 1 1 A 134 134 SER CA C 757 56.158 56.577 -0.419 1
1 1397 . 11 1 1 A 134 134 SER HA H 757 4.950 4.638 0.312 1
1 1398 . 11 1 1 A 134 134 SER CB C 757 63.906 66.690 -2.784 1
1 1401 . 11 1 1 A 135 135 PRO CA C 758 64.159 64.842 -0.683 1
1 1402 . 11 1 1 A 135 135 PRO HA H 758 4.132 4.646 -0.514 1
1 1403 . 11 1 1 A 135 135 PRO CB C 758 31.649 32.369 -0.720 1
1 1412 . 11 1 1 A 136 136 GLN N N 759 116.382 117.171 -0.789 1
1 1413 . 11 1 1 A 136 136 GLN H H 759 8.067 8.353 -0.286 1
1 1414 . 11 1 1 A 136 136 GLN CA C 759 59.483 58.431 1.052 1
1 1415 . 11 1 1 A 136 136 GLN HA H 759 3.963 4.043 -0.080 1
1 1416 . 11 1 1 A 136 136 GLN CB C 759 27.414 27.882 -0.468 1
1 1425 . 11 1 1 A 137 137 GLU N N 760 121.764 119.514 2.250 1
1 1426 . 11 1 1 A 137 137 GLU H H 760 7.826 8.382 -0.556 1
1 1427 . 11 1 1 A 137 137 GLU CA C 760 59.184 59.420 -0.236 1
1 1428 . 11 1 1 A 137 137 GLU HA H 760 4.063 4.068 -0.005 1
1 1429 . 11 1 1 A 137 137 GLU CB C 760 30.403 29.376 1.027 1
1 1435 . 11 1 1 A 138 138 PHE N N 761 120.582 120.018 0.564 1
1 1436 . 11 1 1 A 138 138 PHE H H 761 6.900 8.939 -2.039 1
1 1437 . 11 1 1 A 138 138 PHE CA C 761 60.105 61.151 -1.046 1
1 1438 . 11 1 1 A 138 138 PHE HA H 761 3.604 4.428 -0.824 1
1 1439 . 11 1 1 A 138 138 PHE CB C 761 38.271 38.664 -0.393 1
1 1448 . 11 1 1 A 139 139 ALA N N 762 120.917 122.068 -1.151 1
1 1449 . 11 1 1 A 139 139 ALA H H 762 8.399 7.918 0.481 1
1 1450 . 11 1 1 A 139 139 ALA CA C 762 54.940 55.512 -0.572 1
1 1451 . 11 1 1 A 139 139 ALA HA H 762 3.804 4.444 -0.640 1
1 1452 . 11 1 1 A 139 139 ALA CB C 762 18.001 18.117 -0.116 1
1 1456 . 11 1 1 A 140 140 GLN N N 763 119.041 117.519 1.522 1
1 1457 . 11 1 1 A 140 140 GLN H H 763 8.436 8.743 -0.307 1
1 1458 . 11 1 1 A 140 140 GLN CA C 763 58.474 58.541 -0.067 1
1 1459 . 11 1 1 A 140 140 GLN HA H 763 4.056 4.210 -0.154 1
1 1460 . 11 1 1 A 140 140 GLN CB C 763 28.345 28.234 0.111 1
1 1469 . 11 1 1 A 141 141 ASP N N 764 122.985 120.352 2.633 1
1 1470 . 11 1 1 A 141 141 ASP H H 764 7.694 8.008 -0.314 1
1 1471 . 11 1 1 A 141 141 ASP CA C 764 57.087 56.571 0.516 1
1 1472 . 11 1 1 A 141 141 ASP HA H 764 4.517 4.603 -0.086 1
1 1473 . 11 1 1 A 141 141 ASP CB C 764 39.897 40.942 -1.045 1
1 1476 . 11 1 1 A 142 142 VAL N N 765 119.630 121.316 -1.686 1
1 1477 . 11 1 1 A 142 142 VAL H H 765 7.431 8.176 -0.745 1
1 1478 . 11 1 1 A 142 142 VAL CA C 765 66.489 66.425 0.064 1
1 1479 . 11 1 1 A 142 142 VAL HA H 765 2.740 3.621 -0.881 1
1 1480 . 11 1 1 A 142 142 VAL CB C 765 30.729 31.360 -0.631 1
1 1490 . 11 1 1 A 143 143 GLY N N 766 104.089 107.729 -3.640 1
1 1491 . 11 1 1 A 143 143 GLY H H 766 8.089 8.336 -0.247 1
1 1492 . 11 1 1 A 143 143 GLY CA C 766 47.271 47.112 0.159 1
1 1493 . 11 1 1 A 143 143 GLY HA3 H 766 3.783 3.866 -0.083 1
1 1494 . 11 1 1 A 143 143 GLY HA2 H 766 3.870 3.832 0.038 1
1 1495 . 11 1 1 A 144 144 ARG N N 767 123.406 122.404 1.002 1
1 1496 . 11 1 1 A 144 144 ARG H H 767 8.270 7.779 0.491 1
1 1497 . 11 1 1 A 144 144 ARG CA C 767 59.627 59.363 0.264 1
1 1498 . 11 1 1 A 144 144 ARG HA H 767 4.026 4.102 -0.076 1
1 1499 . 11 1 1 A 144 144 ARG CB C 767 30.003 30.397 -0.394 1
1 1507 . 11 1 1 A 145 145 MET N N 768 121.310 119.062 2.248 1
1 1508 . 11 1 1 A 145 145 MET H H 768 8.053 8.484 -0.431 1
1 1509 . 11 1 1 A 145 145 MET CA C 768 58.727 58.728 -0.001 1
1 1510 . 11 1 1 A 145 145 MET HA H 768 3.932 4.052 -0.120 1
1 1511 . 11 1 1 A 145 145 MET CB C 768 31.536 32.334 -0.798 1
1 1521 . 11 1 1 A 146 146 PHE N N 769 117.125 117.051 0.074 1
1 1522 . 11 1 1 A 146 146 PHE H H 769 8.005 8.288 -0.283 1
1 1523 . 11 1 1 A 146 146 PHE CA C 769 59.441 61.672 -2.231 1
1 1524 . 11 1 1 A 146 146 PHE HA H 769 4.582 4.498 0.084 1
1 1525 . 11 1 1 A 146 146 PHE CB C 769 37.558 37.895 -0.337 1
1 1534 . 11 1 1 A 147 147 LYS N N 770 119.226 121.997 -2.771 1
1 1535 . 11 1 1 A 147 147 LYS H H 770 8.078 8.412 -0.334 1
1 1536 . 11 1 1 A 147 147 LYS CA C 770 59.479 59.690 -0.211 1
1 1537 . 11 1 1 A 147 147 LYS HA H 770 4.153 4.013 0.140 1
1 1538 . 11 1 1 A 147 147 LYS CB C 770 32.336 32.247 0.089 1
1 1547 . 11 1 1 A 148 148 GLN N N 771 118.870 117.981 0.889 1
1 1548 . 11 1 1 A 148 148 GLN H H 771 8.338 8.233 0.105 1
1 1549 . 11 1 1 A 148 148 GLN CA C 771 58.440 58.829 -0.389 1
1 1550 . 11 1 1 A 148 148 GLN HA H 771 4.140 4.122 0.018 1
1 1551 . 11 1 1 A 148 148 GLN CB C 771 28.382 28.163 0.219 1
1 1560 . 11 1 1 A 149 149 PHE N N 772 120.162 121.492 -1.330 1
1 1561 . 11 1 1 A 149 149 PHE H H 772 8.411 8.276 0.135 1
1 1562 . 11 1 1 A 149 149 PHE CA C 772 60.460 60.688 -0.228 1
1 1563 . 11 1 1 A 149 149 PHE HA H 772 4.433 4.191 0.242 1
1 1564 . 11 1 1 A 149 149 PHE CB C 772 39.428 39.045 0.383 1
1 1573 . 11 1 1 A 150 150 ASN N N 773 117.836 117.464 0.372 1
1 1574 . 11 1 1 A 150 150 ASN H H 773 8.279 8.707 -0.428 1
1 1575 . 11 1 1 A 150 150 ASN HA H 773 4.375 4.356 0.019 1
1 1576 . 11 1 1 A 150 150 ASN CB C 773 38.977 38.492 0.485 1
1 1582 . 11 1 1 A 151 151 LYS N N 774 118.045 116.654 1.391 1
1 1583 . 11 1 1 A 151 151 LYS H H 774 7.648 7.421 0.227 1
1 1584 . 11 1 1 A 151 151 LYS CA C 774 57.563 57.018 0.545 1
1 1585 . 11 1 1 A 151 151 LYS HA H 774 4.225 4.347 -0.122 1
1 1586 . 11 1 1 A 151 151 LYS CB C 774 32.333 32.926 -0.593 1
1 1595 . 11 1 1 A 152 152 LEU N N 775 119.031 119.136 -0.105 1
1 1596 . 11 1 1 A 152 152 LEU H H 775 7.825 8.103 -0.278 1
1 1597 . 11 1 1 A 152 152 LEU CA C 775 55.990 56.776 -0.786 1
1 1598 . 11 1 1 A 152 152 LEU HA H 775 4.270 4.189 0.081 1
1 1599 . 11 1 1 A 152 152 LEU CB C 775 42.487 42.054 0.433 1
1 1612 . 11 1 1 A 153 153 THR N N 776 110.107 112.742 -2.635 1
1 1613 . 11 1 1 A 153 153 THR H H 776 7.525 8.121 -0.596 1
1 1614 . 11 1 1 A 153 153 THR CA C 776 61.535 63.032 -1.497 1
1 1615 . 11 1 1 A 153 153 THR HA H 776 4.332 4.087 0.245 1
1 1616 . 11 1 1 A 153 153 THR CB C 776 69.570 66.642 2.928 1
1 1622 . 11 1 1 A 154 154 GLU N N 777 122.427 122.354 0.073 1
1 1623 . 11 1 1 A 154 154 GLU H H 777 8.027 8.422 -0.395 1
1 1624 . 11 1 1 A 154 154 GLU CA C 777 57.720 58.140 -0.420 1
1 1625 . 11 1 1 A 154 154 GLU HA H 777 4.216 4.205 0.011 1
1 1626 . 11 1 1 A 154 154 GLU CB C 777 29.977 29.192 0.785 1
1 1631 . 11 1 1 A 155 155 ASP N N 778 119.283 118.766 0.517 1
1 1632 . 11 1 1 A 155 155 ASP H H 778 8.372 7.901 0.471 1
1 1633 . 11 1 1 A 155 155 ASP CA C 778 54.709 54.060 0.649 1
1 1634 . 11 1 1 A 155 155 ASP HA H 778 4.602 4.808 -0.206 1
1 1635 . 11 1 1 A 155 155 ASP CB C 778 40.600 41.542 -0.942 1
1 1638 . 11 1 1 A 156 156 LYS N N 779 120.684 119.377 1.307 1
1 1639 . 11 1 1 A 156 156 LYS H H 779 8.068 7.429 0.639 1
1 1640 . 11 1 1 A 156 156 LYS CA C 779 56.388 56.626 -0.238 1
1 1641 . 11 1 1 A 156 156 LYS HA H 779 4.333 4.038 0.295 1
1 1642 . 11 1 1 A 156 156 LYS CB C 779 32.814 33.299 -0.485 1
1 1651 . 11 1 1 A 157 157 ALA N N 780 123.182 121.025 2.157 1
1 1652 . 11 1 1 A 157 157 ALA H H 780 8.197 8.715 -0.518 1
1 1653 . 11 1 1 A 157 157 ALA CA C 780 52.591 53.533 -0.942 1
1 1654 . 11 1 1 A 157 157 ALA HA H 780 4.337 3.970 0.367 1
1 1655 . 11 1 1 A 157 157 ALA CB C 780 19.186 18.006 1.180 1
1 1659 . 11 1 1 A 158 158 ASP N N 781 118.794 117.051 1.743 1
1 1660 . 11 1 1 A 158 158 ASP H H 781 8.222 7.995 0.227 1
1 1661 . 11 1 1 A 158 158 ASP CA C 781 54.003 53.454 0.549 1
1 1662 . 11 1 1 A 158 158 ASP HA H 781 4.673 4.837 -0.164 1
1 1663 . 11 1 1 A 158 158 ASP CB C 781 41.075 42.110 -1.035 1
1 1666 . 11 1 1 A 159 159 VAL N N 782 120.713 120.085 0.628 1
1 1667 . 11 1 1 A 159 159 VAL H H 782 8.039 7.949 0.090 1
1 1668 . 11 1 1 A 159 159 VAL CA C 782 63.898 65.129 -1.231 1
1 1669 . 11 1 1 A 159 159 VAL HA H 782 4.028 3.851 0.177 1
1 1670 . 11 1 1 A 159 159 VAL CB C 782 32.181 31.046 1.135 1
1 1680 . 11 1 1 A 160 160 GLN N N 783 120.756 121.051 -0.295 1
1 1681 . 11 1 1 A 160 160 GLN H H 783 8.370 7.842 0.528 1
1 1682 . 11 1 1 A 160 160 GLN CA C 783 57.563 56.819 0.744 1
1 1683 . 11 1 1 A 160 160 GLN HA H 783 4.219 4.219 0.000 1
1 1684 . 11 1 1 A 160 160 GLN CB C 783 28.410 28.312 0.098 1
1 1691 . 11 1 1 A 161 161 SER N N 784 116.111 113.926 2.185 1
1 1692 . 11 1 1 A 161 161 SER H H 784 8.190 7.926 0.264 1
1 1693 . 11 1 1 A 161 161 SER CA C 784 60.089 60.400 -0.311 1
1 1694 . 11 1 1 A 161 161 SER HA H 784 4.361 4.398 -0.037 1
1 1695 . 11 1 1 A 161 161 SER CB C 784 62.955 63.636 -0.681 1
1 1698 . 11 1 1 A 162 162 ILE N N 785 122.105 122.373 -0.268 1
1 1699 . 11 1 1 A 162 162 ILE H H 785 8.014 7.834 0.180 1
1 1700 . 11 1 1 A 162 162 ILE CA C 785 62.963 63.658 -0.695 1
1 1701 . 11 1 1 A 162 162 ILE HA H 785 3.986 3.417 0.569 1
1 1702 . 11 1 1 A 162 162 ILE CB C 785 37.568 36.402 1.166 1
1 1715 . 11 1 1 A 163 163 ILE N N 786 122.150 123.111 -0.961 1
1 1716 . 11 1 1 A 163 163 ILE H H 786 7.913 8.260 -0.347 1
1 1717 . 11 1 1 A 163 163 ILE CA C 786 64.074 64.929 -0.855 1
1 1718 . 11 1 1 A 163 163 ILE HA H 786 3.947 3.758 0.189 1
1 1719 . 11 1 1 A 163 163 ILE CB C 786 37.561 37.828 -0.267 1
1 1732 . 11 1 1 A 164 164 GLY N N 787 107.177 107.767 -0.590 1
1 1733 . 11 1 1 A 164 164 GLY H H 787 8.057 8.436 -0.379 1
1 1734 . 11 1 1 A 164 164 GLY CA C 787 46.938 46.772 0.166 1
1 1735 . 11 1 1 A 164 164 GLY HA3 H 787 3.907 3.787 0.120 1
1 1736 . 11 1 1 A 164 164 GLY HA2 H 787 4.007 3.770 0.237 1
1 1737 . 11 1 1 A 165 165 LEU N N 788 123.590 122.683 0.907 1
1 1738 . 11 1 1 A 165 165 LEU H H 788 7.676 7.307 0.369 1
1 1739 . 11 1 1 A 165 165 LEU CA C 788 57.738 57.484 0.254 1
1 1740 . 11 1 1 A 165 165 LEU HA H 788 4.052 4.163 -0.111 1
1 1741 . 11 1 1 A 165 165 LEU CB C 788 40.833 41.026 -0.193 1
1 1753 . 11 1 1 A 166 166 GLN N N 789 119.114 117.990 1.124 1
1 1754 . 11 1 1 A 166 166 GLN H H 789 7.956 8.027 -0.071 1
1 1755 . 11 1 1 A 166 166 GLN CA C 789 59.445 58.548 0.897 1
1 1756 . 11 1 1 A 166 166 GLN HA H 789 3.844 4.094 -0.250 1
1 1757 . 11 1 1 A 166 166 GLN CB C 789 27.826 28.310 -0.484 1
1 1765 . 11 1 1 A 167 167 ARG N N 790 118.851 119.337 -0.486 1
1 1766 . 11 1 1 A 167 167 ARG H H 790 8.387 7.894 0.493 1
1 1767 . 11 1 1 A 167 167 ARG CA C 790 58.942 57.967 0.975 1
1 1768 . 11 1 1 A 167 167 ARG HA H 790 4.191 4.134 0.057 1
1 1769 . 11 1 1 A 167 167 ARG CB C 790 29.829 30.567 -0.738 1
1 1776 . 11 1 1 A 168 168 PHE N N 791 122.408 121.401 1.007 1
1 1777 . 11 1 1 A 168 168 PHE H H 791 8.127 7.850 0.277 1
1 1778 . 11 1 1 A 168 168 PHE CA C 791 61.976 61.706 0.270 1
1 1779 . 11 1 1 A 168 168 PHE HA H 791 4.164 4.390 -0.226 1
1 1780 . 11 1 1 A 168 168 PHE CB C 791 38.894 39.712 -0.818 1
1 1788 . 11 1 1 A 169 169 PHE N N 792 119.223 120.867 -1.644 1
1 1789 . 11 1 1 A 169 169 PHE H H 792 8.500 9.251 -0.751 1
1 1790 . 11 1 1 A 169 169 PHE CA C 792 61.093 61.970 -0.877 1
1 1791 . 11 1 1 A 169 169 PHE HA H 792 4.053 4.426 -0.373 1
1 1792 . 11 1 1 A 169 169 PHE CB C 792 39.182 39.398 -0.216 1
1 1800 . 11 1 1 A 170 170 GLU N N 793 119.089 118.081 1.008 1
1 1801 . 11 1 1 A 170 170 GLU H H 793 8.718 7.972 0.746 1
1 1802 . 11 1 1 A 170 170 GLU CA C 793 59.843 58.259 1.584 1
1 1803 . 11 1 1 A 170 170 GLU HA H 793 3.483 3.525 -0.042 1
1 1804 . 11 1 1 A 170 170 GLU CB C 793 29.372 29.285 0.087 1
1 1810 . 11 1 1 A 171 171 THR N N 794 115.081 115.114 -0.033 1
1 1811 . 11 1 1 A 171 171 THR H H 794 8.205 7.705 0.500 1
1 1812 . 11 1 1 A 171 171 THR CA C 794 66.661 65.016 1.645 1
1 1813 . 11 1 1 A 171 171 THR HA H 794 3.935 4.106 -0.171 1
1 1814 . 11 1 1 A 171 171 THR CB C 794 68.604 69.042 -0.438 1
1 1820 . 11 1 1 A 172 172 ARG N N 795 120.165 120.589 -0.424 1
1 1821 . 11 1 1 A 172 172 ARG H H 795 7.776 8.200 -0.424 1
1 1822 . 11 1 1 A 172 172 ARG CA C 795 57.535 58.880 -1.345 1
1 1823 . 11 1 1 A 172 172 ARG HA H 795 4.030 4.519 -0.489 1
1 1824 . 11 1 1 A 172 172 ARG CB C 795 29.886 29.723 0.163 1
1 1828 . 11 1 1 A 173 173 MET N N 796 120.347 119.366 0.981 1
1 1829 . 11 1 1 A 173 173 MET H H 796 8.503 7.702 0.801 1
1 1830 . 11 1 1 A 173 173 MET CA C 796 57.453 57.944 -0.491 1
1 1831 . 11 1 1 A 173 173 MET HA H 796 4.383 4.235 0.148 1
1 1832 . 11 1 1 A 173 173 MET CB C 796 30.469 32.026 -1.557 1
1 1840 . 11 1 1 A 174 174 ASN N N 797 119.200 117.910 1.290 1
1 1841 . 11 1 1 A 174 174 ASN H H 797 8.351 8.130 0.221 1
1 1842 . 11 1 1 A 174 174 ASN CA C 797 55.851 56.200 -0.349 1
1 1843 . 11 1 1 A 174 174 ASN HA H 797 4.510 4.372 0.138 1
1 1844 . 11 1 1 A 174 174 ASN CB C 797 38.213 38.340 -0.127 1
1 1850 . 11 1 1 A 175 175 GLU N N 798 119.589 117.844 1.745 1
1 1851 . 11 1 1 A 175 175 GLU H H 798 7.896 8.680 -0.784 1
1 1852 . 11 1 1 A 175 175 GLU CA C 798 59.033 59.360 -0.327 1
1 1853 . 11 1 1 A 175 175 GLU HA H 798 3.967 4.104 -0.137 1
1 1854 . 11 1 1 A 175 175 GLU CB C 798 29.296 29.527 -0.231 1
1 1860 . 11 1 1 A 176 176 ALA N N 799 116.937 122.170 -5.233 1
1 1861 . 11 1 1 A 176 176 ALA H H 799 8.030 7.875 0.155 1
1 1862 . 11 1 1 A 176 176 ALA CA C 799 54.179 54.907 -0.728 1
1 1863 . 11 1 1 A 176 176 ALA HA H 799 4.085 4.088 -0.003 1
1 1864 . 11 1 1 A 176 176 ALA CB C 799 19.432 18.717 0.715 1
1 1868 . 11 1 1 A 177 177 PHE N N 800 112.840 114.160 -1.320 1
1 1869 . 11 1 1 A 177 177 PHE H H 800 8.544 7.537 1.007 1
1 1870 . 11 1 1 A 177 177 PHE CA C 800 59.182 58.045 1.137 1
1 1871 . 11 1 1 A 177 177 PHE HA H 800 4.515 4.528 -0.013 1
1 1872 . 11 1 1 A 177 177 PHE CB C 800 39.642 39.120 0.522 1
1 1881 . 11 1 1 A 178 178 GLY N N 801 110.339 107.799 2.540 1
1 1882 . 11 1 1 A 178 178 GLY H H 801 7.974 7.835 0.139 1
1 1883 . 11 1 1 A 178 178 GLY CA C 801 45.607 46.469 -0.862 1
1 1884 . 11 1 1 A 178 178 GLY HA3 H 801 3.988 4.007 -0.019 1
1 1885 . 11 1 1 A 178 178 GLY HA2 H 801 4.031 3.993 0.038 1
1 1886 . 11 1 1 A 179 179 ASP N N 802 119.627 118.780 0.847 1
1 1887 . 11 1 1 A 179 179 ASP H H 802 8.185 8.060 0.125 1
1 1888 . 11 1 1 A 179 179 ASP CA C 802 53.949 54.613 -0.664 1
1 1889 . 11 1 1 A 179 179 ASP HA H 802 4.679 4.814 -0.135 1
1 1890 . 11 1 1 A 179 179 ASP CB C 802 41.070 43.205 -2.135 1
1 1892 . 11 1 1 A 180 180 THR N N 803 113.769 114.955 -1.186 1
1 1893 . 11 1 1 A 180 180 THR H H 803 8.037 8.336 -0.299 1
1 1894 . 11 1 1 A 180 180 THR CA C 803 61.885 66.195 -4.310 1
1 1895 . 11 1 1 A 180 180 THR HA H 803 4.331 4.060 0.271 1
1 1896 . 11 1 1 A 180 180 THR CB C 803 70.002 69.449 0.553 1
1 1902 . 11 1 1 A 181 181 LYS N N 804 122.277 119.913 2.364 1
1 1903 . 11 1 1 A 181 181 LYS H H 804 8.198 7.897 0.301 1
1 1904 . 11 1 1 A 181 181 LYS CA C 804 56.652 57.712 -1.060 1
1 1905 . 11 1 1 A 181 181 LYS HA H 804 4.151 3.969 0.182 1
1 1906 . 11 1 1 A 181 181 LYS CB C 804 32.377 30.165 2.212 1
1 1914 . 11 1 1 A 182 182 PHE N N 805 119.784 119.424 0.360 1
1 1915 . 11 1 1 A 182 182 PHE H H 805 8.206 8.191 0.015 1
1 1916 . 11 1 1 A 182 182 PHE CA C 805 57.256 59.358 -2.102 1
1 1917 . 11 1 1 A 182 182 PHE HA H 805 4.664 4.196 0.468 1
1 1918 . 11 1 1 A 182 182 PHE CB C 805 38.774 38.912 -0.138 1
1 1927 . 11 1 1 A 183 183 SER N N 806 123.742 115.684 8.058 1
1 1928 . 11 1 1 A 183 183 SER H H 806 8.121 8.725 -0.604 1
1 1929 . 11 1 1 A 183 183 SER CA C 806 58.203 58.580 -0.377 1
1 1930 . 11 1 1 A 183 183 SER HA H 806 4.361 4.548 -0.187 1
1 1931 . 11 1 1 A 183 183 SER CB C 806 63.764 64.433 -0.669 1
1 1934 . 11 1 1 A 184 184 ALA N N 807 125.704 125.736 -0.032 1
1 1935 . 11 1 1 A 184 184 ALA H H 807 8.286 7.875 0.411 1
1 1936 . 11 1 1 A 184 184 ALA CA C 807 52.574 53.378 -0.804 1
1 1937 . 11 1 1 A 184 184 ALA HA H 807 4.360 4.167 0.193 1
1 1938 . 11 1 1 A 184 184 ALA CB C 807 18.947 19.590 -0.643 1
1 1942 . 11 1 1 A 185 185 VAL N N 808 118.271 122.084 -3.813 1
1 1943 . 11 1 1 A 185 185 VAL H H 808 7.958 8.658 -0.700 1
1 1944 . 11 1 1 A 185 185 VAL CA C 808 62.216 61.727 0.489 1
1 1945 . 11 1 1 A 185 185 VAL HA H 808 4.151 4.445 -0.294 1
1 1946 . 11 1 1 A 185 185 VAL CB C 808 32.178 32.719 -0.541 1
1 1952 . 11 1 1 A 186 186 LEU N N 809 125.280 119.227 6.053 1
1 1953 . 11 1 1 A 186 186 LEU H H 809 8.195 7.635 0.560 1
1 1954 . 11 1 1 A 186 186 LEU CA C 809 54.474 54.432 0.042 1
1 1955 . 11 1 1 A 186 186 LEU HA H 809 4.430 4.501 -0.071 1
1 1956 . 11 1 1 A 186 186 LEU CB C 809 42.303 42.774 -0.471 1
1 1968 . 11 1 1 A 187 187 VAL N N 810 120.937 119.234 1.703 1
1 1969 . 11 1 1 A 187 187 VAL H H 810 7.985 7.963 0.022 1
1 1970 . 11 1 1 A 187 187 VAL CA C 810 62.004 61.132 0.872 1
1 1971 . 11 1 1 A 187 187 VAL HA H 810 4.155 4.434 -0.279 1
1 1972 . 11 1 1 A 187 187 VAL CB C 810 32.602 33.392 -0.790 1
1 1979 . 11 1 1 A 188 188 GLU N N 811 126.353 124.297 2.056 1
1 1980 . 11 1 1 A 188 188 GLU H H 811 8.292 7.588 0.704 1
1 1981 . 11 1 1 A 188 188 GLU CA C 811 54.162 54.423 -0.261 1
1 1982 . 11 1 1 A 188 188 GLU HA H 811 4.609 4.329 0.280 1
1 1983 . 11 1 1 A 188 188 GLU CB C 811 29.775 30.774 -0.999 1
1 1 . 12 1 1 A 2 2 ALA CA C 625 52.969 53.879 -0.910 1
1 2 . 12 1 1 A 2 2 ALA HA H 625 4.493 4.093 0.400 1
1 3 . 12 1 1 A 2 2 ALA CB C 625 19.272 18.239 1.033 1
1 7 . 12 1 1 A 3 3 THR N N 626 113.570 114.480 -0.910 1
1 8 . 12 1 1 A 3 3 THR H H 626 8.176 8.746 -0.570 1
1 9 . 12 1 1 A 3 3 THR CA C 626 61.314 66.030 -4.716 1
1 10 . 12 1 1 A 3 3 THR HA H 626 4.298 3.908 0.390 1
1 11 . 12 1 1 A 3 3 THR CB C 626 69.270 68.597 0.673 1
1 17 . 12 1 1 A 4 4 ILE N N 627 115.272 120.939 -5.667 1
1 18 . 12 1 1 A 4 4 ILE H H 627 7.549 7.949 -0.400 1
1 19 . 12 1 1 A 4 4 ILE CA C 627 58.731 61.857 -3.126 1
1 20 . 12 1 1 A 4 4 ILE HA H 627 4.258 4.375 -0.117 1
1 21 . 12 1 1 A 4 4 ILE CB C 627 42.246 35.529 6.717 1
1 34 . 12 1 1 A 5 5 CYS N N 628 124.095 125.390 -1.295 1
1 35 . 12 1 1 A 5 5 CYS H H 628 7.766 7.936 -0.170 1
1 36 . 12 1 1 A 5 5 CYS CA C 628 57.978 59.025 -1.047 1
1 37 . 12 1 1 A 5 5 CYS HA H 628 3.781 4.069 -0.288 1
1 38 . 12 1 1 A 5 5 CYS CB C 628 31.436 27.599 3.837 1
1 41 . 12 1 1 A 6 6 ARG N N 629 129.928 126.974 2.954 1
1 42 . 12 1 1 A 6 6 ARG H H 629 9.040 7.904 1.136 1
1 43 . 12 1 1 A 6 6 ARG CA C 629 57.514 59.507 -1.993 1
1 44 . 12 1 1 A 6 6 ARG HA H 629 3.900 3.798 0.102 1
1 45 . 12 1 1 A 6 6 ARG CB C 629 30.251 29.688 0.563 1
1 54 . 12 1 1 A 7 7 VAL N N 630 118.166 119.299 -1.133 1
1 55 . 12 1 1 A 7 7 VAL H H 630 8.734 7.598 1.136 1
1 56 . 12 1 1 A 7 7 VAL CA C 630 65.770 66.696 -0.926 1
1 57 . 12 1 1 A 7 7 VAL HA H 630 4.137 4.101 0.036 1
1 58 . 12 1 1 A 7 7 VAL CB C 630 33.079 31.707 1.372 1
1 68 . 12 1 1 A 8 8 CYS N N 631 116.148 114.434 1.714 1
1 69 . 12 1 1 A 8 8 CYS H H 631 8.143 7.696 0.447 1
1 70 . 12 1 1 A 8 8 CYS CA C 631 59.154 58.103 1.051 1
1 71 . 12 1 1 A 8 8 CYS HA H 631 5.105 4.210 0.895 1
1 72 . 12 1 1 A 8 8 CYS CB C 631 31.184 27.015 4.169 1
1 75 . 12 1 1 A 9 9 GLN N N 632 115.248 116.120 -0.872 1
1 76 . 12 1 1 A 9 9 GLN H H 632 8.132 8.974 -0.842 1
1 77 . 12 1 1 A 9 9 GLN CA C 632 57.404 56.831 0.573 1
1 78 . 12 1 1 A 9 9 GLN HA H 632 4.068 4.002 0.066 1
1 79 . 12 1 1 A 9 9 GLN CB C 632 26.002 26.098 -0.096 1
1 88 . 12 1 1 A 10 10 LYS N N 633 118.420 118.165 0.255 1
1 89 . 12 1 1 A 10 10 LYS H H 633 8.091 7.749 0.342 1
1 90 . 12 1 1 A 10 10 LYS CA C 633 53.835 53.061 0.774 1
1 91 . 12 1 1 A 10 10 LYS HA H 633 5.046 4.801 0.245 1
1 92 . 12 1 1 A 10 10 LYS CB C 633 33.312 33.480 -0.168 1
1 102 . 12 1 1 A 11 11 PRO CA C 634 62.136 63.120 -0.984 1
1 103 . 12 1 1 A 11 11 PRO HA H 634 5.056 4.794 0.262 1
1 104 . 12 1 1 A 11 11 PRO CB C 634 33.061 32.417 0.644 1
1 112 . 12 1 1 A 12 12 GLY N N 635 106.958 109.507 -2.549 1
1 113 . 12 1 1 A 12 12 GLY H H 635 8.475 8.185 0.290 1
1 114 . 12 1 1 A 12 12 GLY CA C 635 45.303 45.738 -0.435 1
1 115 . 12 1 1 A 12 12 GLY HA3 H 635 3.812 4.543 -0.731 1
1 116 . 12 1 1 A 12 12 GLY HA2 H 635 4.438 4.299 0.139 1
1 117 . 12 1 1 A 13 13 ASP N N 636 124.001 122.597 1.404 1
1 118 . 12 1 1 A 13 13 ASP H H 636 8.729 8.574 0.155 1
1 119 . 12 1 1 A 13 13 ASP CA C 636 54.239 54.903 -0.664 1
1 120 . 12 1 1 A 13 13 ASP HA H 636 4.656 4.374 0.282 1
1 121 . 12 1 1 A 13 13 ASP CB C 636 39.425 38.657 0.768 1
1 124 . 12 1 1 A 14 14 LEU N N 637 121.435 120.374 1.061 1
1 125 . 12 1 1 A 14 14 LEU H H 637 7.849 8.043 -0.194 1
1 126 . 12 1 1 A 14 14 LEU CA C 637 53.306 55.076 -1.770 1
1 127 . 12 1 1 A 14 14 LEU HA H 637 4.546 4.575 -0.029 1
1 128 . 12 1 1 A 14 14 LEU CB C 637 44.117 42.394 1.723 1
1 141 . 12 1 1 A 15 15 VAL N N 638 118.100 120.820 -2.720 1
1 142 . 12 1 1 A 15 15 VAL H H 638 8.703 9.042 -0.339 1
1 143 . 12 1 1 A 15 15 VAL CA C 638 59.865 61.037 -1.172 1
1 144 . 12 1 1 A 15 15 VAL HA H 638 4.383 4.778 -0.395 1
1 145 . 12 1 1 A 15 15 VAL CB C 638 33.305 32.725 0.580 1
1 155 . 12 1 1 A 16 16 MET N N 639 125.271 127.847 -2.576 1
1 156 . 12 1 1 A 16 16 MET H H 639 8.519 9.092 -0.573 1
1 157 . 12 1 1 A 16 16 MET CA C 639 54.122 54.423 -0.301 1
1 158 . 12 1 1 A 16 16 MET HA H 639 5.210 5.674 -0.464 1
1 159 . 12 1 1 A 16 16 MET CB C 639 36.310 32.870 3.440 1
1 169 . 12 1 1 A 17 17 CYS N N 640 129.455 125.106 4.349 1
1 170 . 12 1 1 A 17 17 CYS H H 640 9.139 8.837 0.302 1
1 171 . 12 1 1 A 17 17 CYS CA C 640 59.996 60.013 -0.017 1
1 172 . 12 1 1 A 17 17 CYS HA H 640 4.658 4.300 0.358 1
1 173 . 12 1 1 A 17 17 CYS CB C 640 31.238 28.378 2.860 1
1 176 . 12 1 1 A 18 18 ASN N N 641 128.271 127.882 0.389 1
1 177 . 12 1 1 A 18 18 ASN H H 641 8.914 9.189 -0.275 1
1 178 . 12 1 1 A 18 18 ASN CA C 641 55.658 54.806 0.852 1
1 179 . 12 1 1 A 18 18 ASN HA H 641 4.584 4.664 -0.080 1
1 180 . 12 1 1 A 18 18 ASN CB C 641 38.955 38.420 0.535 1
1 186 . 12 1 1 A 19 19 GLN N N 642 121.426 117.163 4.263 1
1 187 . 12 1 1 A 19 19 GLN H H 642 9.313 7.748 1.565 1
1 188 . 12 1 1 A 19 19 GLN CA C 642 57.971 56.366 1.605 1
1 189 . 12 1 1 A 19 19 GLN HA H 642 4.502 4.483 0.019 1
1 190 . 12 1 1 A 19 19 GLN CB C 642 30.466 31.101 -0.635 1
1 197 . 12 1 1 A 20 20 CYS N N 643 120.207 116.141 4.066 1
1 198 . 12 1 1 A 20 20 CYS H H 643 8.542 7.776 0.766 1
1 199 . 12 1 1 A 20 20 CYS CA C 643 59.473 58.840 0.633 1
1 200 . 12 1 1 A 20 20 CYS HA H 643 4.663 4.745 -0.082 1
1 201 . 12 1 1 A 20 20 CYS CB C 643 31.889 27.996 3.893 1
1 204 . 12 1 1 A 21 21 GLU N N 644 114.113 117.390 -3.277 1
1 205 . 12 1 1 A 21 21 GLU H H 644 7.441 8.068 -0.627 1
1 206 . 12 1 1 A 21 21 GLU CA C 644 57.994 58.460 -0.466 1
1 207 . 12 1 1 A 21 21 GLU HA H 644 4.285 4.052 0.233 1
1 208 . 12 1 1 A 21 21 GLU CB C 644 26.843 27.866 -1.023 1
1 214 . 12 1 1 A 22 22 PHE N N 645 120.911 119.725 1.186 1
1 215 . 12 1 1 A 22 22 PHE H H 645 8.941 8.512 0.429 1
1 216 . 12 1 1 A 22 22 PHE CA C 645 57.356 58.645 -1.289 1
1 217 . 12 1 1 A 22 22 PHE HA H 645 4.777 4.577 0.200 1
1 218 . 12 1 1 A 22 22 PHE CB C 645 38.709 39.904 -1.195 1
1 226 . 12 1 1 A 23 23 CYS N N 646 115.830 118.574 -2.744 1
1 227 . 12 1 1 A 23 23 CYS H H 646 8.137 8.881 -0.744 1
1 228 . 12 1 1 A 23 23 CYS CA C 646 56.600 58.308 -1.708 1
1 229 . 12 1 1 A 23 23 CYS HA H 646 5.813 5.948 -0.135 1
1 230 . 12 1 1 A 23 23 CYS CB C 646 30.951 31.942 -0.991 1
1 233 . 12 1 1 A 24 24 PHE N N 647 116.053 120.673 -4.620 1
1 234 . 12 1 1 A 24 24 PHE H H 647 9.011 9.007 0.004 1
1 235 . 12 1 1 A 24 24 PHE CA C 647 56.827 56.868 -0.041 1
1 236 . 12 1 1 A 24 24 PHE HA H 647 5.910 4.943 0.967 1
1 237 . 12 1 1 A 24 24 PHE CB C 647 44.608 43.153 1.455 1
1 246 . 12 1 1 A 25 25 HIS N N 648 120.957 122.757 -1.800 1
1 247 . 12 1 1 A 25 25 HIS H H 648 8.427 9.189 -0.762 1
1 248 . 12 1 1 A 25 25 HIS CA C 648 58.971 56.771 2.200 1
1 249 . 12 1 1 A 25 25 HIS HA H 648 4.929 4.496 0.433 1
1 250 . 12 1 1 A 25 25 HIS CB C 648 31.178 29.636 1.542 1
1 257 . 12 1 1 A 26 26 LEU N N 649 123.176 118.982 4.194 1
1 258 . 12 1 1 A 26 26 LEU H H 649 9.369 8.124 1.245 1
1 259 . 12 1 1 A 26 26 LEU CA C 649 59.646 57.074 2.572 1
1 260 . 12 1 1 A 26 26 LEU HA H 649 3.829 4.028 -0.199 1
1 261 . 12 1 1 A 26 26 LEU CB C 649 39.426 41.733 -2.307 1
1 274 . 12 1 1 A 27 27 ASP N N 650 109.058 115.793 -6.735 1
1 275 . 12 1 1 A 27 27 ASP H H 650 8.326 9.982 -1.656 1
1 276 . 12 1 1 A 27 27 ASP CA C 650 53.998 56.970 -2.972 1
1 277 . 12 1 1 A 27 27 ASP HA H 650 4.739 4.335 0.404 1
1 278 . 12 1 1 A 27 27 ASP CB C 650 40.331 40.074 0.257 1
1 280 . 12 1 1 A 28 28 CYS N N 651 117.495 116.726 0.769 1
1 281 . 12 1 1 A 28 28 CYS H H 651 7.480 8.179 -0.699 1
1 282 . 12 1 1 A 28 28 CYS CA C 651 61.534 62.241 -0.707 1
1 283 . 12 1 1 A 28 28 CYS HA H 651 4.245 4.648 -0.403 1
1 284 . 12 1 1 A 28 28 CYS CB C 651 31.646 27.737 3.909 1
1 286 . 12 1 1 A 29 29 HIS N N 652 116.384 122.665 -6.281 1
1 287 . 12 1 1 A 29 29 HIS H H 652 6.894 7.843 -0.949 1
1 288 . 12 1 1 A 29 29 HIS CA C 652 59.713 57.698 2.015 1
1 289 . 12 1 1 A 29 29 HIS HA H 652 3.644 4.809 -1.165 1
1 290 . 12 1 1 A 29 29 HIS CB C 652 27.909 30.707 -2.798 1
1 296 . 12 1 1 A 30 30 LEU N N 653 121.110 126.418 -5.308 1
1 297 . 12 1 1 A 30 30 LEU H H 653 4.525 8.766 -4.241 1
1 298 . 12 1 1 A 30 30 LEU CA C 653 51.439 59.272 -7.833 1
1 299 . 12 1 1 A 30 30 LEU HA H 653 4.515 3.115 1.400 1
1 300 . 12 1 1 A 30 30 LEU CB C 653 46.001 41.239 4.762 1
1 312 . 12 1 1 A 31 31 PRO CA C 654 62.964 63.345 -0.381 1
1 313 . 12 1 1 A 31 31 PRO HA H 654 4.471 4.315 0.156 1
1 314 . 12 1 1 A 31 31 PRO CB C 654 34.045 32.405 1.640 1
1 322 . 12 1 1 A 32 32 ALA N N 655 125.871 119.750 6.121 1
1 323 . 12 1 1 A 32 32 ALA H H 655 8.766 7.934 0.832 1
1 324 . 12 1 1 A 32 32 ALA CA C 655 52.771 52.882 -0.111 1
1 325 . 12 1 1 A 32 32 ALA HA H 655 4.349 4.763 -0.414 1
1 326 . 12 1 1 A 32 32 ALA CB C 655 18.177 18.076 0.101 1
1 330 . 12 1 1 A 33 33 LEU N N 656 123.348 123.335 0.013 1
1 331 . 12 1 1 A 33 33 LEU H H 656 8.230 8.733 -0.503 1
1 332 . 12 1 1 A 33 33 LEU CA C 656 54.014 54.824 -0.810 1
1 333 . 12 1 1 A 33 33 LEU HA H 656 4.445 4.336 0.109 1
1 334 . 12 1 1 A 33 33 LEU CB C 656 43.197 42.770 0.427 1
1 347 . 12 1 1 A 34 34 GLN N N 657 119.992 119.370 0.622 1
1 348 . 12 1 1 A 34 34 GLN H H 657 8.679 8.798 -0.119 1
1 349 . 12 1 1 A 34 34 GLN CA C 657 56.354 56.934 -0.580 1
1 350 . 12 1 1 A 34 34 GLN HA H 657 4.159 4.449 -0.290 1
1 351 . 12 1 1 A 34 34 GLN CB C 657 29.555 30.535 -0.980 1
1 359 . 12 1 1 A 35 35 ASP N N 658 115.420 114.537 0.883 1
1 360 . 12 1 1 A 35 35 ASP H H 658 7.457 7.518 -0.061 1
1 361 . 12 1 1 A 35 35 ASP CA C 658 51.696 54.403 -2.707 1
1 362 . 12 1 1 A 35 35 ASP HA H 658 4.626 4.629 -0.003 1
1 363 . 12 1 1 A 35 35 ASP CB C 658 43.431 42.786 0.645 1
1 366 . 12 1 1 A 36 36 VAL N N 659 122.099 115.858 6.241 1
1 367 . 12 1 1 A 36 36 VAL H H 659 8.624 7.419 1.205 1
1 368 . 12 1 1 A 36 36 VAL CA C 659 60.994 60.100 0.894 1
1 369 . 12 1 1 A 36 36 VAL HA H 659 3.752 4.244 -0.492 1
1 370 . 12 1 1 A 36 36 VAL CB C 659 32.087 34.243 -2.156 1
1 380 . 12 1 1 A 37 37 PRO CA C 660 62.728 63.478 -0.750 1
1 381 . 12 1 1 A 37 37 PRO HA H 660 4.454 4.433 0.021 1
1 382 . 12 1 1 A 37 37 PRO CB C 660 32.835 31.906 0.929 1
1 391 . 12 1 1 A 38 38 GLY N N 661 106.940 108.882 -1.942 1
1 392 . 12 1 1 A 38 38 GLY H H 661 8.189 7.833 0.356 1
1 393 . 12 1 1 A 38 38 GLY CA C 661 44.397 45.644 -1.247 1
1 394 . 12 1 1 A 38 38 GLY HA3 H 661 3.969 3.929 0.040 1
1 395 . 12 1 1 A 38 38 GLY HA2 H 661 4.190 3.909 0.281 1
1 396 . 12 1 1 A 39 39 GLU N N 662 117.365 112.380 4.985 1
1 397 . 12 1 1 A 39 39 GLU H H 662 8.281 8.476 -0.195 1
1 398 . 12 1 1 A 39 39 GLU CA C 662 57.520 58.004 -0.484 1
1 399 . 12 1 1 A 39 39 GLU HA H 662 4.281 4.034 0.247 1
1 400 . 12 1 1 A 39 39 GLU CB C 662 30.013 27.859 2.154 1
1 405 . 12 1 1 A 40 40 GLU N N 663 117.986 118.042 -0.056 1
1 406 . 12 1 1 A 40 40 GLU H H 663 8.697 8.299 0.398 1
1 407 . 12 1 1 A 40 40 GLU CA C 663 56.389 56.397 -0.008 1
1 408 . 12 1 1 A 40 40 GLU HA H 663 4.293 4.509 -0.216 1
1 409 . 12 1 1 A 40 40 GLU CB C 663 28.787 30.496 -1.709 1
1 414 . 12 1 1 A 41 41 TRP N N 664 124.391 124.371 0.020 1
1 415 . 12 1 1 A 41 41 TRP H H 664 7.967 7.695 0.272 1
1 416 . 12 1 1 A 41 41 TRP CA C 664 59.934 57.942 1.992 1
1 417 . 12 1 1 A 41 41 TRP HA H 664 4.312 4.698 -0.386 1
1 418 . 12 1 1 A 41 41 TRP CB C 664 29.998 30.258 -0.260 1
1 432 . 12 1 1 A 42 42 SER N N 665 120.355 116.086 4.269 1
1 433 . 12 1 1 A 42 42 SER H H 665 6.873 7.974 -1.101 1
1 434 . 12 1 1 A 42 42 SER CA C 665 55.166 57.091 -1.925 1
1 435 . 12 1 1 A 42 42 SER HA H 665 5.259 4.881 0.378 1
1 436 . 12 1 1 A 42 42 SER CB C 665 65.990 66.427 -0.437 1
1 439 . 12 1 1 A 43 43 CYS N N 666 125.642 123.341 2.301 1
1 440 . 12 1 1 A 43 43 CYS H H 666 9.271 8.267 1.004 1
1 441 . 12 1 1 A 43 43 CYS CA C 666 57.325 58.776 -1.451 1
1 442 . 12 1 1 A 43 43 CYS HA H 666 3.952 2.866 1.086 1
1 443 . 12 1 1 A 43 43 CYS CB C 666 34.022 26.772 7.250 1
1 446 . 12 1 1 A 44 44 SER N N 667 117.158 119.608 -2.450 1
1 447 . 12 1 1 A 44 44 SER H H 667 7.068 8.118 -1.050 1
1 448 . 12 1 1 A 44 44 SER CA C 667 61.353 62.041 -0.688 1
1 449 . 12 1 1 A 44 44 SER HA H 667 4.225 3.936 0.289 1
1 450 . 12 1 1 A 44 44 SER CB C 667 63.693 62.918 0.775 1
1 453 . 12 1 1 A 45 45 LEU N N 668 120.667 120.465 0.202 1
1 454 . 12 1 1 A 45 45 LEU H H 668 8.965 8.098 0.867 1
1 455 . 12 1 1 A 45 45 LEU CA C 668 57.416 57.408 0.008 1
1 456 . 12 1 1 A 45 45 LEU HA H 668 4.178 4.095 0.083 1
1 457 . 12 1 1 A 45 45 LEU CB C 668 40.611 41.734 -1.123 1
1 470 . 12 1 1 A 46 46 CYS N N 669 121.872 115.347 6.525 1
1 471 . 12 1 1 A 46 46 CYS H H 669 7.816 8.657 -0.841 1
1 472 . 12 1 1 A 46 46 CYS CA C 669 62.557 59.606 2.951 1
1 473 . 12 1 1 A 46 46 CYS HA H 669 3.969 4.714 -0.745 1
1 474 . 12 1 1 A 46 46 CYS CB C 669 30.467 29.131 1.336 1
1 477 . 12 1 1 A 47 47 HIS N N 670 119.396 120.125 -0.729 1
1 478 . 12 1 1 A 47 47 HIS H H 670 8.077 7.684 0.393 1
1 479 . 12 1 1 A 47 47 HIS CA C 670 55.625 54.333 1.292 1
1 480 . 12 1 1 A 47 47 HIS HA H 670 4.429 4.675 -0.246 1
1 481 . 12 1 1 A 47 47 HIS CB C 670 30.326 30.289 0.037 1
1 488 . 12 1 1 A 48 48 VAL N N 671 123.528 123.576 -0.048 1
1 489 . 12 1 1 A 48 48 VAL H H 671 7.978 7.656 0.322 1
1 490 . 12 1 1 A 48 48 VAL CA C 671 62.120 62.803 -0.683 1
1 491 . 12 1 1 A 48 48 VAL HA H 671 3.925 3.890 0.035 1
1 492 . 12 1 1 A 48 48 VAL CB C 671 32.396 32.483 -0.087 1
1 502 . 12 1 1 A 49 49 LEU N N 672 126.622 127.346 -0.724 1
1 503 . 12 1 1 A 49 49 LEU H H 672 8.139 8.319 -0.180 1
1 504 . 12 1 1 A 49 49 LEU CA C 672 52.859 51.550 1.309 1
1 505 . 12 1 1 A 49 49 LEU HA H 672 4.475 4.777 -0.302 1
1 506 . 12 1 1 A 49 49 LEU CB C 672 41.536 45.248 -3.712 1
1 518 . 12 1 1 A 50 50 PRO CA C 673 62.715 64.715 -2.000 1
1 519 . 12 1 1 A 50 50 PRO HA H 673 4.386 4.450 -0.064 1
1 520 . 12 1 1 A 50 50 PRO CB C 673 32.093 31.846 0.247 1
1 528 . 12 1 1 A 51 51 ASP N N 674 120.540 118.594 1.946 1
1 529 . 12 1 1 A 51 51 ASP H H 674 8.307 8.461 -0.154 1
1 530 . 12 1 1 A 51 51 ASP CA C 674 54.202 54.323 -0.121 1
1 531 . 12 1 1 A 51 51 ASP HA H 674 4.564 4.855 -0.291 1
1 532 . 12 1 1 A 51 51 ASP CB C 674 41.030 44.026 -2.996 1
1 535 . 12 1 1 A 52 52 LEU N N 675 122.987 121.006 1.981 1
1 536 . 12 1 1 A 52 52 LEU H H 675 8.053 7.512 0.541 1
1 537 . 12 1 1 A 52 52 LEU CA C 675 54.945 55.804 -0.859 1
1 538 . 12 1 1 A 52 52 LEU HA H 675 4.364 4.205 0.159 1
1 539 . 12 1 1 A 52 52 LEU CB C 675 42.436 42.337 0.099 1
1 551 . 12 1 1 A 53 53 LYS N N 676 122.061 124.136 -2.075 1
1 552 . 12 1 1 A 53 53 LYS H H 676 8.340 8.711 -0.371 1
1 553 . 12 1 1 A 53 53 LYS CA C 676 56.060 58.577 -2.517 1
1 554 . 12 1 1 A 53 53 LYS HA H 676 4.331 4.033 0.298 1
1 555 . 12 1 1 A 53 53 LYS CB C 676 32.363 32.337 0.026 1
1 564 . 12 1 1 A 54 54 GLU N N 677 121.909 115.196 6.713 1
1 565 . 12 1 1 A 54 54 GLU H H 677 8.403 7.902 0.501 1
1 566 . 12 1 1 A 54 54 GLU CA C 677 56.586 57.350 -0.764 1
1 567 . 12 1 1 A 54 54 GLU HA H 677 4.312 3.955 0.357 1
1 568 . 12 1 1 A 54 54 GLU CB C 677 30.221 27.492 2.729 1
1 573 . 12 1 1 A 55 55 GLU N N 678 121.528 118.437 3.091 1
1 574 . 12 1 1 A 55 55 GLU H H 678 8.486 8.177 0.309 1
1 575 . 12 1 1 A 55 55 GLU CA C 678 56.368 56.417 -0.049 1
1 576 . 12 1 1 A 55 55 GLU HA H 678 4.315 4.307 0.008 1
1 577 . 12 1 1 A 55 55 GLU CB C 678 28.896 29.302 -0.406 1
1 582 . 12 1 1 A 56 56 ASP N N 679 121.530 119.465 2.065 1
1 583 . 12 1 1 A 56 56 ASP H H 679 8.322 8.204 0.118 1
1 584 . 12 1 1 A 56 56 ASP CA C 679 54.252 54.960 -0.708 1
1 585 . 12 1 1 A 56 56 ASP HA H 679 4.680 4.333 0.347 1
1 586 . 12 1 1 A 56 56 ASP CB C 679 41.146 38.544 2.602 1
1 588 . 12 1 1 A 57 57 GLY N N 680 109.997 109.058 0.939 1
1 589 . 12 1 1 A 57 57 GLY H H 680 8.412 8.142 0.270 1
1 590 . 12 1 1 A 57 57 GLY CA C 680 45.247 45.880 -0.633 1
1 591 . 12 1 1 A 57 57 GLY HA2 H 680 4.020 3.912 0.108 1
1 592 . 12 1 1 A 58 58 SER N N 681 115.994 115.458 0.536 1
1 593 . 12 1 1 A 58 58 SER H H 681 8.280 8.098 0.182 1
1 594 . 12 1 1 A 58 58 SER CA C 681 58.239 57.565 0.674 1
1 595 . 12 1 1 A 58 58 SER HA H 681 3.996 4.727 -0.731 1
1 596 . 12 1 1 A 58 58 SER CB C 681 63.789 65.464 -1.675 1
1 598 . 12 1 1 A 59 59 LEU N N 682 123.362 123.299 0.063 1
1 599 . 12 1 1 A 59 59 LEU H H 682 8.164 7.543 0.621 1
1 600 . 12 1 1 A 59 59 LEU CA C 682 55.160 53.790 1.370 1
1 601 . 12 1 1 A 59 59 LEU HA H 682 4.427 4.786 -0.359 1
1 602 . 12 1 1 A 59 59 LEU CB C 682 42.473 44.159 -1.686 1
1 614 . 12 1 1 A 60 60 SER N N 683 116.385 119.303 -2.918 1
1 615 . 12 1 1 A 60 60 SER H H 683 8.226 8.885 -0.659 1
1 616 . 12 1 1 A 60 60 SER CA C 683 58.004 58.389 -0.385 1
1 617 . 12 1 1 A 60 60 SER HA H 683 4.517 4.682 -0.165 1
1 618 . 12 1 1 A 60 60 SER CB C 683 63.651 65.073 -1.422 1
1 620 . 12 1 1 A 61 61 LEU N N 684 124.466 120.422 4.044 1
1 621 . 12 1 1 A 61 61 LEU H H 684 8.303 7.814 0.489 1
1 622 . 12 1 1 A 61 61 LEU CA C 684 54.959 56.120 -1.161 1
1 623 . 12 1 1 A 61 61 LEU HA H 684 4.412 4.541 -0.129 1
1 624 . 12 1 1 A 61 61 LEU CB C 684 41.713 44.181 -2.468 1
1 635 . 12 1 1 A 62 62 ASP N N 685 120.536 120.172 0.364 1
1 636 . 12 1 1 A 62 62 ASP H H 685 8.267 7.933 0.334 1
1 637 . 12 1 1 A 62 62 ASP CA C 685 54.276 55.996 -1.720 1
1 638 . 12 1 1 A 62 62 ASP HA H 685 4.680 4.315 0.365 1
1 639 . 12 1 1 A 62 62 ASP CB C 685 41.125 40.313 0.812 1
1 642 . 12 1 1 A 63 63 GLY N N 686 109.373 115.256 -5.883 1
1 643 . 12 1 1 A 63 63 GLY H H 686 8.277 8.688 -0.411 1
1 644 . 12 1 1 A 63 63 GLY CA C 686 45.297 44.861 0.436 1
1 645 . 12 1 1 A 63 63 GLY HA2 H 686 3.992 4.047 -0.055 1
1 646 . 12 1 1 A 64 64 ALA N N 687 123.584 123.006 0.578 1
1 647 . 12 1 1 A 64 64 ALA H H 687 8.129 8.455 -0.326 1
1 648 . 12 1 1 A 64 64 ALA CA C 687 52.637 54.855 -2.218 1
1 649 . 12 1 1 A 64 64 ALA HA H 687 4.379 4.323 0.056 1
1 650 . 12 1 1 A 64 64 ALA CB C 687 19.122 19.129 -0.007 1
1 654 . 12 1 1 A 65 65 ASP N N 688 118.924 118.434 0.490 1
1 655 . 12 1 1 A 65 65 ASP H H 688 8.326 7.890 0.436 1
1 656 . 12 1 1 A 65 65 ASP CA C 688 53.972 55.009 -1.037 1
1 657 . 12 1 1 A 65 65 ASP HA H 688 4.682 4.669 0.013 1
1 658 . 12 1 1 A 65 65 ASP CB C 688 41.061 41.255 -0.194 1
1 660 . 12 1 1 A 66 66 SER N N 689 116.036 118.196 -2.160 1
1 661 . 12 1 1 A 66 66 SER H H 689 8.285 9.026 -0.741 1
1 662 . 12 1 1 A 66 66 SER CA C 689 58.352 59.682 -1.330 1
1 663 . 12 1 1 A 66 66 SER HA H 689 4.443 4.569 -0.126 1
1 664 . 12 1 1 A 66 66 SER CB C 689 63.665 65.175 -1.510 1
1 666 . 12 1 1 A 67 67 THR N N 690 115.059 110.658 4.401 1
1 667 . 12 1 1 A 67 67 THR H H 690 8.253 7.922 0.331 1
1 668 . 12 1 1 A 67 67 THR CA C 690 62.556 60.922 1.634 1
1 669 . 12 1 1 A 67 67 THR HA H 690 4.379 4.604 -0.225 1
1 670 . 12 1 1 A 67 67 THR CB C 690 69.623 68.971 0.652 1
1 676 . 12 1 1 A 68 68 GLY N N 691 111.091 109.737 1.354 1
1 677 . 12 1 1 A 68 68 GLY H H 691 8.366 7.916 0.450 1
1 678 . 12 1 1 A 68 68 GLY CA C 691 45.297 44.647 0.650 1
1 679 . 12 1 1 A 68 68 GLY HA2 H 691 4.002 4.148 -0.146 1
1 680 . 12 1 1 A 69 69 VAL N N 692 119.280 121.860 -2.580 1
1 681 . 12 1 1 A 69 69 VAL H H 692 7.876 8.437 -0.561 1
1 682 . 12 1 1 A 69 69 VAL CA C 692 62.068 65.424 -3.356 1
1 683 . 12 1 1 A 69 69 VAL HA H 692 4.176 3.719 0.457 1
1 684 . 12 1 1 A 69 69 VAL CB C 692 32.322 31.921 0.401 1
1 690 . 12 1 1 A 70 70 VAL N N 693 123.601 119.774 3.827 1
1 691 . 12 1 1 A 70 70 VAL H H 693 8.102 7.545 0.557 1
1 692 . 12 1 1 A 70 70 VAL CA C 693 61.886 63.505 -1.619 1
1 693 . 12 1 1 A 70 70 VAL HA H 693 4.150 4.279 -0.129 1
1 694 . 12 1 1 A 70 70 VAL CB C 693 32.429 33.164 -0.735 1
1 700 . 12 1 1 A 71 71 ALA N N 694 129.048 124.925 4.123 1
1 701 . 12 1 1 A 71 71 ALA H H 694 8.374 8.105 0.269 1
1 702 . 12 1 1 A 71 71 ALA CA C 694 52.125 55.020 -2.895 1
1 703 . 12 1 1 A 71 71 ALA HA H 694 4.454 3.981 0.473 1
1 704 . 12 1 1 A 71 71 ALA CB C 694 19.203 17.189 2.014 1
1 708 . 12 1 1 A 72 72 LYS N N 695 118.535 118.348 0.187 1
1 709 . 12 1 1 A 72 72 LYS H H 695 7.833 8.658 -0.825 1
1 710 . 12 1 1 A 72 72 LYS CA C 695 54.556 60.165 -5.609 1
1 711 . 12 1 1 A 72 72 LYS HA H 695 4.827 3.985 0.842 1
1 712 . 12 1 1 A 72 72 LYS CB C 695 35.245 32.417 2.828 1
1 722 . 12 1 1 A 73 73 LEU N N 696 121.834 120.309 1.525 1
1 723 . 12 1 1 A 73 73 LEU H H 696 8.772 7.762 1.010 1
1 724 . 12 1 1 A 73 73 LEU CA C 696 54.973 56.731 -1.758 1
1 725 . 12 1 1 A 73 73 LEU HA H 696 4.268 4.246 0.022 1
1 726 . 12 1 1 A 73 73 LEU CB C 696 42.467 43.349 -0.882 1
1 739 . 12 1 1 A 74 74 SER N N 697 121.120 112.422 8.698 1
1 740 . 12 1 1 A 74 74 SER H H 697 8.890 7.651 1.239 1
1 741 . 12 1 1 A 74 74 SER CA C 697 56.165 57.167 -1.002 1
1 742 . 12 1 1 A 74 74 SER HA H 697 4.710 4.711 -0.001 1
1 743 . 12 1 1 A 74 74 SER CB C 697 62.177 65.748 -3.571 1
1 745 . 12 1 1 A 75 75 PRO CA C 698 66.251 65.231 1.020 1
1 746 . 12 1 1 A 75 75 PRO HA H 698 4.350 4.360 -0.010 1
1 747 . 12 1 1 A 75 75 PRO CB C 698 31.661 31.833 -0.172 1
1 755 . 12 1 1 A 76 76 ALA N N 699 117.914 119.603 -1.689 1
1 756 . 12 1 1 A 76 76 ALA H H 699 8.458 7.890 0.568 1
1 757 . 12 1 1 A 76 76 ALA CA C 699 55.000 54.882 0.118 1
1 758 . 12 1 1 A 76 76 ALA HA H 699 4.132 4.197 -0.065 1
1 759 . 12 1 1 A 76 76 ALA CB C 699 18.785 18.914 -0.129 1
1 763 . 12 1 1 A 77 77 ASN N N 700 116.945 117.960 -1.015 1
1 764 . 12 1 1 A 77 77 ASN H H 700 7.760 8.280 -0.520 1
1 765 . 12 1 1 A 77 77 ASN CA C 700 55.210 56.229 -1.019 1
1 766 . 12 1 1 A 77 77 ASN HA H 700 4.763 4.561 0.202 1
1 767 . 12 1 1 A 77 77 ASN CB C 700 38.005 38.014 -0.009 1
1 770 . 12 1 1 A 78 78 GLN N N 701 124.719 120.518 4.201 1
1 771 . 12 1 1 A 78 78 GLN H H 701 9.480 8.083 1.397 1
1 772 . 12 1 1 A 78 78 GLN CA C 701 59.634 59.300 0.334 1
1 773 . 12 1 1 A 78 78 GLN HA H 701 3.673 4.134 -0.461 1
1 774 . 12 1 1 A 78 78 GLN CB C 701 27.114 28.651 -1.537 1
1 782 . 12 1 1 A 79 79 ARG N N 702 117.069 119.562 -2.493 1
1 783 . 12 1 1 A 79 79 ARG H H 702 7.654 7.615 0.039 1
1 784 . 12 1 1 A 79 79 ARG CA C 702 57.561 59.601 -2.040 1
1 785 . 12 1 1 A 79 79 ARG HA H 702 4.487 3.989 0.498 1
1 786 . 12 1 1 A 79 79 ARG CB C 702 29.680 29.946 -0.266 1
1 794 . 12 1 1 A 80 80 LYS N N 703 119.251 119.480 -0.229 1
1 795 . 12 1 1 A 80 80 LYS H H 703 7.636 8.712 -1.076 1
1 796 . 12 1 1 A 80 80 LYS CA C 703 60.735 59.850 0.885 1
1 797 . 12 1 1 A 80 80 LYS HA H 703 3.702 4.086 -0.384 1
1 798 . 12 1 1 A 80 80 LYS CB C 703 34.002 32.449 1.553 1
1 808 . 12 1 1 A 81 81 CYS N N 704 115.848 118.823 -2.975 1
1 809 . 12 1 1 A 81 81 CYS H H 704 8.031 8.274 -0.243 1
1 810 . 12 1 1 A 81 81 CYS CA C 704 64.823 63.712 1.111 1
1 811 . 12 1 1 A 81 81 CYS HA H 704 3.687 4.313 -0.626 1
1 812 . 12 1 1 A 81 81 CYS CB C 704 26.491 27.256 -0.765 1
1 815 . 12 1 1 A 82 82 GLU N N 705 118.931 119.884 -0.953 1
1 816 . 12 1 1 A 82 82 GLU H H 705 8.286 8.512 -0.226 1
1 817 . 12 1 1 A 82 82 GLU CA C 705 59.887 59.086 0.801 1
1 818 . 12 1 1 A 82 82 GLU HA H 705 3.589 4.044 -0.455 1
1 819 . 12 1 1 A 82 82 GLU CB C 705 29.067 29.322 -0.255 1
1 825 . 12 1 1 A 83 83 ARG N N 706 119.029 118.881 0.148 1
1 826 . 12 1 1 A 83 83 ARG H H 706 7.931 7.994 -0.063 1
1 827 . 12 1 1 A 83 83 ARG CA C 706 60.133 57.904 2.229 1
1 828 . 12 1 1 A 83 83 ARG HA H 706 3.748 4.292 -0.544 1
1 829 . 12 1 1 A 83 83 ARG CB C 706 30.197 30.619 -0.422 1
1 838 . 12 1 1 A 84 84 VAL N N 707 119.247 119.799 -0.552 1
1 839 . 12 1 1 A 84 84 VAL H H 707 7.762 8.486 -0.724 1
1 840 . 12 1 1 A 84 84 VAL CA C 707 67.133 65.802 1.331 1
1 841 . 12 1 1 A 84 84 VAL HA H 707 3.562 4.038 -0.476 1
1 842 . 12 1 1 A 84 84 VAL CB C 707 31.857 32.140 -0.283 1
1 852 . 12 1 1 A 85 85 LEU N N 708 119.414 120.465 -1.051 1
1 853 . 12 1 1 A 85 85 LEU H H 708 8.844 8.771 0.073 1
1 854 . 12 1 1 A 85 85 LEU CA C 708 57.561 58.028 -0.467 1
1 855 . 12 1 1 A 85 85 LEU HA H 708 4.366 4.224 0.142 1
1 856 . 12 1 1 A 85 85 LEU CB C 708 41.320 40.776 0.544 1
1 869 . 12 1 1 A 86 86 LEU N N 709 120.156 120.134 0.022 1
1 870 . 12 1 1 A 86 86 LEU H H 709 9.044 7.879 1.165 1
1 871 . 12 1 1 A 86 86 LEU CA C 709 57.977 58.411 -0.434 1
1 872 . 12 1 1 A 86 86 LEU HA H 709 4.382 4.015 0.367 1
1 873 . 12 1 1 A 86 86 LEU CB C 709 41.069 42.000 -0.931 1
1 886 . 12 1 1 A 87 87 ALA N N 710 121.264 120.355 0.909 1
1 887 . 12 1 1 A 87 87 ALA H H 710 8.136 8.857 -0.721 1
1 888 . 12 1 1 A 87 87 ALA CA C 710 55.439 56.001 -0.562 1
1 889 . 12 1 1 A 87 87 ALA HA H 710 4.217 4.575 -0.358 1
1 890 . 12 1 1 A 87 87 ALA CB C 710 17.525 19.111 -1.586 1
1 894 . 12 1 1 A 88 88 LEU N N 711 117.148 118.341 -1.193 1
1 895 . 12 1 1 A 88 88 LEU H H 711 8.158 8.543 -0.385 1
1 896 . 12 1 1 A 88 88 LEU CA C 711 58.688 57.699 0.989 1
1 897 . 12 1 1 A 88 88 LEU HA H 711 4.401 3.142 1.259 1
1 898 . 12 1 1 A 88 88 LEU CB C 711 41.534 41.903 -0.369 1
1 911 . 12 1 1 A 89 89 PHE N N 712 117.048 117.919 -0.871 1
1 912 . 12 1 1 A 89 89 PHE H H 712 8.536 9.351 -0.815 1
1 913 . 12 1 1 A 89 89 PHE CA C 712 62.732 61.850 0.882 1
1 914 . 12 1 1 A 89 89 PHE HA H 712 3.971 5.358 -1.387 1
1 915 . 12 1 1 A 89 89 PHE CB C 712 40.351 39.606 0.745 1
1 922 . 12 1 1 A 90 90 CYS N N 713 111.682 117.587 -5.905 1
1 923 . 12 1 1 A 90 90 CYS H H 713 7.689 8.850 -1.161 1
1 924 . 12 1 1 A 90 90 CYS CA C 713 60.573 62.971 -2.398 1
1 925 . 12 1 1 A 90 90 CYS HA H 713 4.614 3.952 0.662 1
1 926 . 12 1 1 A 90 90 CYS CB C 713 28.820 27.256 1.564 1
1 929 . 12 1 1 A 91 91 HIS N N 714 123.036 115.456 7.580 1
1 930 . 12 1 1 A 91 91 HIS H H 714 7.517 7.755 -0.238 1
1 931 . 12 1 1 A 91 91 HIS CA C 714 54.945 54.384 0.561 1
1 932 . 12 1 1 A 91 91 HIS HA H 714 4.939 4.538 0.401 1
1 933 . 12 1 1 A 91 91 HIS CB C 714 31.433 31.924 -0.491 1
1 940 . 12 1 1 A 92 92 GLU CA C 715 61.506 60.844 0.662 1
1 941 . 12 1 1 A 92 92 GLU HA H 715 4.052 3.956 0.096 1
1 942 . 12 1 1 A 92 92 GLU CB C 715 26.765 29.020 -2.255 1
1 947 . 12 1 1 A 93 93 PRO CA C 716 65.272 66.284 -1.012 1
1 948 . 12 1 1 A 93 93 PRO HA H 716 4.294 4.436 -0.142 1
1 949 . 12 1 1 A 93 93 PRO CB C 716 31.486 31.325 0.161 1
1 958 . 12 1 1 A 94 94 CYS N N 717 110.309 116.002 -5.693 1
1 959 . 12 1 1 A 94 94 CYS H H 717 7.667 8.514 -0.847 1
1 960 . 12 1 1 A 94 94 CYS CA C 717 58.484 62.096 -3.612 1
1 961 . 12 1 1 A 94 94 CYS HA H 717 4.406 4.369 0.037 1
1 962 . 12 1 1 A 94 94 CYS CB C 717 28.612 27.507 1.105 1
1 965 . 12 1 1 A 95 95 ARG N N 718 122.655 120.567 2.088 1
1 966 . 12 1 1 A 95 95 ARG H H 718 7.928 8.583 -0.655 1
1 967 . 12 1 1 A 95 95 ARG CA C 718 60.829 60.700 0.129 1
1 968 . 12 1 1 A 95 95 ARG HA H 718 3.740 3.683 0.057 1
1 969 . 12 1 1 A 95 95 ARG CB C 718 28.131 29.293 -1.162 1
1 977 . 12 1 1 A 96 96 PRO CA C 719 65.328 65.829 -0.501 1
1 978 . 12 1 1 A 96 96 PRO HA H 719 4.456 4.063 0.393 1
1 979 . 12 1 1 A 96 96 PRO CB C 719 31.665 30.213 1.452 1
1 987 . 12 1 1 A 97 97 LEU N N 720 112.429 117.322 -4.893 1
1 988 . 12 1 1 A 97 97 LEU H H 720 7.720 7.023 0.697 1
1 989 . 12 1 1 A 97 97 LEU CA C 720 54.707 57.150 -2.443 1
1 990 . 12 1 1 A 97 97 LEU HA H 720 4.228 3.868 0.360 1
1 991 . 12 1 1 A 97 97 LEU CB C 720 40.391 41.910 -1.519 1
1 1004 . 12 1 1 A 98 98 HIS N N 721 118.891 116.437 2.454 1
1 1005 . 12 1 1 A 98 98 HIS H H 721 7.964 8.411 -0.447 1
1 1006 . 12 1 1 A 98 98 HIS CA C 721 60.901 58.077 2.824 1
1 1007 . 12 1 1 A 98 98 HIS HA H 721 4.190 4.185 0.005 1
1 1008 . 12 1 1 A 98 98 HIS CB C 721 31.678 29.629 2.049 1
1 1015 . 12 1 1 A 99 99 GLN N N 722 116.787 115.375 1.412 1
1 1016 . 12 1 1 A 99 99 GLN H H 722 8.090 7.447 0.643 1
1 1017 . 12 1 1 A 99 99 GLN CA C 722 55.180 54.755 0.425 1
1 1018 . 12 1 1 A 99 99 GLN HA H 722 4.808 4.486 0.322 1
1 1019 . 12 1 1 A 99 99 GLN CB C 722 30.690 29.319 1.371 1
1 1024 . 12 1 1 A 100 100 LEU H H 723 9.277 8.145 1.132 1
1 1025 . 12 1 1 A 100 100 LEU CA C 723 55.397 57.537 -2.140 1
1 1026 . 12 1 1 A 100 100 LEU HA H 723 4.566 4.063 0.503 1
1 1027 . 12 1 1 A 100 100 LEU CB C 723 43.862 41.507 2.355 1
1 1040 . 12 1 1 A 101 101 ALA N N 724 123.211 121.309 1.902 1
1 1041 . 12 1 1 A 101 101 ALA H H 724 8.577 7.680 0.897 1
1 1042 . 12 1 1 A 101 101 ALA CA C 724 52.591 51.022 1.569 1
1 1043 . 12 1 1 A 101 101 ALA HA H 724 4.392 4.406 -0.014 1
1 1044 . 12 1 1 A 101 101 ALA CB C 724 19.262 19.972 -0.710 1
1 1048 . 12 1 1 A 102 102 THR N N 725 112.189 110.230 1.959 1
1 1049 . 12 1 1 A 102 102 THR H H 725 8.069 8.038 0.031 1
1 1050 . 12 1 1 A 102 102 THR CA C 725 61.802 60.627 1.175 1
1 1051 . 12 1 1 A 102 102 THR HA H 725 4.366 4.611 -0.245 1
1 1052 . 12 1 1 A 102 102 THR CB C 725 69.684 69.072 0.612 1
1 1058 . 12 1 1 A 103 103 ASP N N 726 121.846 120.552 1.294 1
1 1059 . 12 1 1 A 103 103 ASP H H 726 8.195 8.086 0.109 1
1 1060 . 12 1 1 A 103 103 ASP CA C 726 54.057 54.843 -0.786 1
1 1061 . 12 1 1 A 103 103 ASP HA H 726 4.681 4.204 0.477 1
1 1062 . 12 1 1 A 103 103 ASP CB C 726 41.228 38.542 2.686 1
1 1064 . 12 1 1 A 104 104 SER N N 727 116.230 111.789 4.441 1
1 1065 . 12 1 1 A 104 104 SER H H 727 8.260 7.556 0.704 1
1 1066 . 12 1 1 A 104 104 SER CA C 727 58.945 57.387 1.558 1
1 1067 . 12 1 1 A 104 104 SER HA H 727 4.468 4.592 -0.124 1
1 1068 . 12 1 1 A 104 104 SER CB C 727 63.856 64.129 -0.273 1
1 1070 . 12 1 1 A 105 105 THR N N 728 115.362 117.460 -2.098 1
1 1071 . 12 1 1 A 105 105 THR H H 728 8.205 7.584 0.621 1
1 1072 . 12 1 1 A 105 105 THR CA C 728 62.744 66.159 -3.415 1
1 1073 . 12 1 1 A 105 105 THR HA H 728 4.238 3.994 0.244 1
1 1074 . 12 1 1 A 105 105 THR CB C 728 69.490 68.382 1.108 1
1 1080 . 12 1 1 A 106 106 PHE N N 729 121.735 114.173 7.562 1
1 1081 . 12 1 1 A 106 106 PHE H H 729 8.047 6.905 1.142 1
1 1082 . 12 1 1 A 106 106 PHE CA C 729 57.966 56.849 1.117 1
1 1083 . 12 1 1 A 106 106 PHE HA H 729 4.626 4.772 -0.146 1
1 1084 . 12 1 1 A 106 106 PHE CB C 729 39.633 40.792 -1.159 1
1 1090 . 12 1 1 A 107 107 SER N N 730 116.751 111.163 5.588 1
1 1091 . 12 1 1 A 107 107 SER H H 730 7.962 7.980 -0.018 1
1 1092 . 12 1 1 A 107 107 SER CA C 730 57.921 59.549 -1.628 1
1 1093 . 12 1 1 A 107 107 SER HA H 730 4.413 4.088 0.325 1
1 1094 . 12 1 1 A 107 107 SER CB C 730 63.659 61.515 2.144 1
1 1097 . 12 1 1 A 108 108 LEU N N 731 123.373 114.052 9.321 1
1 1098 . 12 1 1 A 108 108 LEU H H 731 8.212 8.424 -0.212 1
1 1099 . 12 1 1 A 108 108 LEU CA C 731 55.650 56.818 -1.168 1
1 1100 . 12 1 1 A 108 108 LEU HA H 731 4.265 4.458 -0.193 1
1 1101 . 12 1 1 A 108 108 LEU CB C 731 42.257 40.820 1.437 1
1 1113 . 12 1 1 A 109 109 ASP N N 732 118.496 119.965 -1.469 1
1 1114 . 12 1 1 A 109 109 ASP H H 732 8.172 8.073 0.099 1
1 1115 . 12 1 1 A 109 109 ASP CA C 732 54.239 55.172 -0.933 1
1 1116 . 12 1 1 A 109 109 ASP HA H 732 4.566 4.640 -0.074 1
1 1117 . 12 1 1 A 109 109 ASP CB C 732 41.124 40.586 0.538 1
1 1120 . 12 1 1 A 110 110 GLN N N 733 119.403 121.122 -1.719 1
1 1121 . 12 1 1 A 110 110 GLN H H 733 7.707 7.600 0.107 1
1 1122 . 12 1 1 A 110 110 GLN CA C 733 53.251 52.442 0.809 1
1 1123 . 12 1 1 A 110 110 GLN HA H 733 4.675 4.434 0.241 1
1 1124 . 12 1 1 A 110 110 GLN CB C 733 29.061 29.718 -0.657 1
1 1129 . 12 1 1 A 111 111 PRO CA C 734 63.869 63.827 0.042 1
1 1130 . 12 1 1 A 111 111 PRO HA H 734 4.435 4.371 0.064 1
1 1131 . 12 1 1 A 111 111 PRO CB C 734 31.900 31.954 -0.054 1
1 1139 . 12 1 1 A 112 112 GLY N N 735 109.783 105.337 4.446 1
1 1140 . 12 1 1 A 112 112 GLY H H 735 8.510 7.153 1.357 1
1 1141 . 12 1 1 A 112 112 GLY CA C 735 44.954 45.611 -0.657 1
1 1142 . 12 1 1 A 112 112 GLY HA3 H 735 3.903 4.046 -0.143 1
1 1143 . 12 1 1 A 112 112 GLY HA2 H 735 3.994 4.033 -0.039 1
1 1144 . 12 1 1 A 113 113 GLY N N 736 108.485 110.737 -2.252 1
1 1145 . 12 1 1 A 113 113 GLY H H 736 8.138 8.751 -0.613 1
1 1146 . 12 1 1 A 113 113 GLY CA C 736 44.755 44.385 0.370 1
1 1147 . 12 1 1 A 113 113 GLY HA3 H 736 3.899 4.083 -0.184 1
1 1148 . 12 1 1 A 113 113 GLY HA2 H 736 3.964 4.046 -0.082 1
1 1149 . 12 1 1 A 114 114 THR N N 737 116.361 116.264 0.097 1
1 1150 . 12 1 1 A 114 114 THR H H 737 7.951 8.879 -0.928 1
1 1151 . 12 1 1 A 114 114 THR CA C 737 62.508 61.859 0.649 1
1 1152 . 12 1 1 A 114 114 THR HA H 737 4.189 5.061 -0.872 1
1 1153 . 12 1 1 A 114 114 THR CB C 737 69.780 70.226 -0.446 1
1 1159 . 12 1 1 A 115 115 LEU N N 738 125.899 124.460 1.439 1
1 1160 . 12 1 1 A 115 115 LEU H H 738 8.575 8.851 -0.276 1
1 1161 . 12 1 1 A 115 115 LEU CA C 738 54.534 53.183 1.351 1
1 1162 . 12 1 1 A 115 115 LEU HA H 738 4.452 4.793 -0.341 1
1 1163 . 12 1 1 A 115 115 LEU CB C 738 45.506 42.021 3.485 1
1 1176 . 12 1 1 A 116 116 ASP N N 739 115.416 119.998 -4.582 1
1 1177 . 12 1 1 A 116 116 ASP H H 739 6.819 8.327 -1.508 1
1 1178 . 12 1 1 A 116 116 ASP CA C 739 52.606 53.979 -1.373 1
1 1179 . 12 1 1 A 116 116 ASP HA H 739 4.472 4.767 -0.295 1
1 1180 . 12 1 1 A 116 116 ASP CB C 739 42.811 41.908 0.903 1
1 1183 . 12 1 1 A 117 117 LEU N N 740 115.281 121.707 -6.426 1
1 1184 . 12 1 1 A 117 117 LEU H H 740 8.213 8.835 -0.622 1
1 1185 . 12 1 1 A 117 117 LEU CA C 740 57.750 57.932 -0.182 1
1 1186 . 12 1 1 A 117 117 LEU HA H 740 3.841 3.834 0.007 1
1 1187 . 12 1 1 A 117 117 LEU CB C 740 42.005 40.977 1.028 1
1 1200 . 12 1 1 A 118 118 THR N N 741 116.995 110.355 6.640 1
1 1201 . 12 1 1 A 118 118 THR H H 741 8.152 7.400 0.752 1
1 1202 . 12 1 1 A 118 118 THR CA C 741 68.068 65.594 2.474 1
1 1203 . 12 1 1 A 118 118 THR HA H 741 4.054 4.138 -0.084 1
1 1204 . 12 1 1 A 118 118 THR CB C 741 68.392 68.486 -0.094 1
1 1210 . 12 1 1 A 119 119 LEU N N 742 127.180 124.046 3.134 1
1 1211 . 12 1 1 A 119 119 LEU H H 742 8.804 8.058 0.746 1
1 1212 . 12 1 1 A 119 119 LEU CA C 742 58.460 58.486 -0.026 1
1 1213 . 12 1 1 A 119 119 LEU HA H 742 4.214 3.910 0.304 1
1 1214 . 12 1 1 A 119 119 LEU CB C 742 42.491 41.687 0.804 1
1 1227 . 12 1 1 A 120 120 ILE N N 743 120.880 119.611 1.269 1
1 1228 . 12 1 1 A 120 120 ILE H H 743 7.884 8.282 -0.398 1
1 1229 . 12 1 1 A 120 120 ILE CA C 743 65.546 65.536 0.010 1
1 1230 . 12 1 1 A 120 120 ILE HA H 743 4.101 3.561 0.540 1
1 1231 . 12 1 1 A 120 120 ILE CB C 743 38.693 37.743 0.950 1
1 1244 . 12 1 1 A 121 121 ARG N N 744 119.772 121.112 -1.340 1
1 1245 . 12 1 1 A 121 121 ARG H H 744 8.792 8.350 0.442 1
1 1246 . 12 1 1 A 121 121 ARG CA C 744 60.369 59.555 0.814 1
1 1247 . 12 1 1 A 121 121 ARG HA H 744 3.896 3.604 0.292 1
1 1248 . 12 1 1 A 121 121 ARG CB C 744 30.241 30.069 0.172 1
1 1257 . 12 1 1 A 122 122 ALA N N 745 120.978 120.969 0.009 1
1 1258 . 12 1 1 A 122 122 ALA H H 745 8.303 8.195 0.108 1
1 1259 . 12 1 1 A 122 122 ALA CA C 745 55.203 54.621 0.582 1
1 1260 . 12 1 1 A 122 122 ALA HA H 745 4.246 4.022 0.224 1
1 1261 . 12 1 1 A 122 122 ALA CB C 745 18.005 18.294 -0.289 1
1 1265 . 12 1 1 A 123 123 ARG N N 746 119.408 117.645 1.763 1
1 1266 . 12 1 1 A 123 123 ARG H H 746 8.224 7.794 0.430 1
1 1267 . 12 1 1 A 123 123 ARG CA C 746 59.895 59.205 0.690 1
1 1268 . 12 1 1 A 123 123 ARG HA H 746 4.335 4.092 0.243 1
1 1269 . 12 1 1 A 123 123 ARG CB C 746 29.768 30.017 -0.249 1
1 1279 . 12 1 1 A 124 124 LEU N N 747 125.115 120.897 4.218 1
1 1280 . 12 1 1 A 124 124 LEU H H 747 9.029 8.064 0.965 1
1 1281 . 12 1 1 A 124 124 LEU CA C 747 57.559 57.586 -0.027 1
1 1282 . 12 1 1 A 124 124 LEU HA H 747 4.925 3.595 1.330 1
1 1283 . 12 1 1 A 124 124 LEU CB C 747 42.721 41.002 1.719 1
1 1296 . 12 1 1 A 125 125 GLN N N 748 114.117 115.667 -1.550 1
1 1297 . 12 1 1 A 125 125 GLN H H 748 8.418 8.045 0.373 1
1 1298 . 12 1 1 A 125 125 GLN CA C 748 55.664 57.704 -2.040 1
1 1299 . 12 1 1 A 125 125 GLN HA H 748 4.444 4.242 0.202 1
1 1300 . 12 1 1 A 125 125 GLN CB C 748 29.301 29.663 -0.362 1
1 1309 . 12 1 1 A 126 126 GLU N N 749 113.381 117.988 -4.607 1
1 1310 . 12 1 1 A 126 126 GLU H H 749 7.978 8.256 -0.278 1
1 1311 . 12 1 1 A 126 126 GLU CA C 749 57.789 57.786 0.003 1
1 1312 . 12 1 1 A 126 126 GLU HA H 749 4.156 5.021 -0.865 1
1 1313 . 12 1 1 A 126 126 GLU CB C 749 25.906 29.248 -3.342 1
1 1318 . 12 1 1 A 127 127 LYS N N 750 116.557 120.602 -4.045 1
1 1319 . 12 1 1 A 127 127 LYS H H 750 8.538 7.831 0.707 1
1 1320 . 12 1 1 A 127 127 LYS CA C 750 56.417 59.029 -2.612 1
1 1321 . 12 1 1 A 127 127 LYS HA H 750 4.344 4.048 0.296 1
1 1322 . 12 1 1 A 127 127 LYS CB C 750 33.029 32.346 0.683 1
1 1332 . 12 1 1 A 128 128 LEU N N 751 119.986 122.097 -2.111 1
1 1333 . 12 1 1 A 128 128 LEU H H 751 6.949 7.777 -0.828 1
1 1334 . 12 1 1 A 128 128 LEU CA C 751 53.476 58.061 -4.585 1
1 1335 . 12 1 1 A 128 128 LEU HA H 751 4.532 4.058 0.474 1
1 1336 . 12 1 1 A 128 128 LEU CB C 751 45.503 42.308 3.195 1
1 1349 . 12 1 1 A 129 129 SER N N 752 118.455 113.965 4.490 1
1 1350 . 12 1 1 A 129 129 SER H H 752 8.225 7.894 0.331 1
1 1351 . 12 1 1 A 129 129 SER CA C 752 56.129 58.909 -2.780 1
1 1352 . 12 1 1 A 129 129 SER HA H 752 4.434 4.724 -0.290 1
1 1353 . 12 1 1 A 129 129 SER CB C 752 63.911 64.345 -0.434 1
1 1356 . 12 1 1 A 130 130 PRO CA C 753 61.355 61.887 -0.532 1
1 1357 . 12 1 1 A 130 130 PRO HA H 753 5.026 4.638 0.388 1
1 1358 . 12 1 1 A 130 130 PRO CB C 753 32.831 32.889 -0.058 1
1 1366 . 12 1 1 A 131 131 PRO CA C 754 62.470 62.362 0.108 1
1 1367 . 12 1 1 A 131 131 PRO HA H 754 4.651 4.734 -0.083 1
1 1368 . 12 1 1 A 131 131 PRO CB C 754 32.403 32.598 -0.195 1
1 1377 . 12 1 1 A 132 132 TYR N N 755 121.321 123.219 -1.898 1
1 1378 . 12 1 1 A 132 132 TYR H H 755 9.635 8.517 1.118 1
1 1379 . 12 1 1 A 132 132 TYR CA C 755 60.382 58.888 1.494 1
1 1380 . 12 1 1 A 132 132 TYR HA H 755 4.433 4.539 -0.106 1
1 1381 . 12 1 1 A 132 132 TYR CB C 755 38.713 39.050 -0.337 1
1 1388 . 12 1 1 A 133 133 SER N N 756 114.917 121.126 -6.209 1
1 1389 . 12 1 1 A 133 133 SER H H 756 9.343 8.956 0.387 1
1 1390 . 12 1 1 A 133 133 SER CA C 756 58.776 57.944 0.832 1
1 1391 . 12 1 1 A 133 133 SER HA H 756 4.430 4.643 -0.213 1
1 1392 . 12 1 1 A 133 133 SER CB C 756 64.839 64.234 0.605 1
1 1394 . 12 1 1 A 134 134 SER N N 757 112.021 115.022 -3.001 1
1 1395 . 12 1 1 A 134 134 SER H H 757 7.500 6.919 0.581 1
1 1396 . 12 1 1 A 134 134 SER CA C 757 56.158 55.903 0.255 1
1 1397 . 12 1 1 A 134 134 SER HA H 757 4.950 4.436 0.514 1
1 1398 . 12 1 1 A 134 134 SER CB C 757 63.906 65.291 -1.385 1
1 1401 . 12 1 1 A 135 135 PRO CA C 758 64.159 65.331 -1.172 1
1 1402 . 12 1 1 A 135 135 PRO HA H 758 4.132 4.536 -0.404 1
1 1403 . 12 1 1 A 135 135 PRO CB C 758 31.649 31.822 -0.173 1
1 1412 . 12 1 1 A 136 136 GLN N N 759 116.382 116.603 -0.221 1
1 1413 . 12 1 1 A 136 136 GLN H H 759 8.067 7.746 0.321 1
1 1414 . 12 1 1 A 136 136 GLN CA C 759 59.483 59.040 0.443 1
1 1415 . 12 1 1 A 136 136 GLN HA H 759 3.963 3.932 0.031 1
1 1416 . 12 1 1 A 136 136 GLN CB C 759 27.414 28.029 -0.615 1
1 1425 . 12 1 1 A 137 137 GLU N N 760 121.764 120.012 1.752 1
1 1426 . 12 1 1 A 137 137 GLU H H 760 7.826 8.384 -0.558 1
1 1427 . 12 1 1 A 137 137 GLU CA C 760 59.184 59.391 -0.207 1
1 1428 . 12 1 1 A 137 137 GLU HA H 760 4.063 3.999 0.064 1
1 1429 . 12 1 1 A 137 137 GLU CB C 760 30.403 29.360 1.043 1
1 1435 . 12 1 1 A 138 138 PHE N N 761 120.582 120.904 -0.322 1
1 1436 . 12 1 1 A 138 138 PHE H H 761 6.900 9.257 -2.357 1
1 1437 . 12 1 1 A 138 138 PHE CA C 761 60.105 61.277 -1.172 1
1 1438 . 12 1 1 A 138 138 PHE HA H 761 3.604 4.376 -0.772 1
1 1439 . 12 1 1 A 138 138 PHE CB C 761 38.271 38.648 -0.377 1
1 1448 . 12 1 1 A 139 139 ALA N N 762 120.917 121.570 -0.653 1
1 1449 . 12 1 1 A 139 139 ALA H H 762 8.399 8.033 0.366 1
1 1450 . 12 1 1 A 139 139 ALA CA C 762 54.940 55.105 -0.165 1
1 1451 . 12 1 1 A 139 139 ALA HA H 762 3.804 4.046 -0.242 1
1 1452 . 12 1 1 A 139 139 ALA CB C 762 18.001 18.233 -0.232 1
1 1456 . 12 1 1 A 140 140 GLN N N 763 119.041 117.244 1.797 1
1 1457 . 12 1 1 A 140 140 GLN H H 763 8.436 8.612 -0.176 1
1 1458 . 12 1 1 A 140 140 GLN CA C 763 58.474 58.966 -0.492 1
1 1459 . 12 1 1 A 140 140 GLN HA H 763 4.056 4.048 0.008 1
1 1460 . 12 1 1 A 140 140 GLN CB C 763 28.345 28.192 0.153 1
1 1469 . 12 1 1 A 141 141 ASP N N 764 122.985 119.740 3.245 1
1 1470 . 12 1 1 A 141 141 ASP H H 764 7.694 7.636 0.058 1
1 1471 . 12 1 1 A 141 141 ASP CA C 764 57.087 57.223 -0.136 1
1 1472 . 12 1 1 A 141 141 ASP HA H 764 4.517 4.387 0.130 1
1 1473 . 12 1 1 A 141 141 ASP CB C 764 39.897 40.885 -0.988 1
1 1476 . 12 1 1 A 142 142 VAL N N 765 119.630 119.765 -0.135 1
1 1477 . 12 1 1 A 142 142 VAL H H 765 7.431 8.622 -1.191 1
1 1478 . 12 1 1 A 142 142 VAL CA C 765 66.489 65.677 0.812 1
1 1479 . 12 1 1 A 142 142 VAL HA H 765 2.740 3.199 -0.459 1
1 1480 . 12 1 1 A 142 142 VAL CB C 765 30.729 30.782 -0.053 1
1 1490 . 12 1 1 A 143 143 GLY N N 766 104.089 107.249 -3.160 1
1 1491 . 12 1 1 A 143 143 GLY H H 766 8.089 7.808 0.281 1
1 1492 . 12 1 1 A 143 143 GLY CA C 766 47.271 46.897 0.374 1
1 1493 . 12 1 1 A 143 143 GLY HA3 H 766 3.783 3.632 0.151 1
1 1494 . 12 1 1 A 143 143 GLY HA2 H 766 3.870 3.537 0.333 1
1 1495 . 12 1 1 A 144 144 ARG N N 767 123.406 121.866 1.540 1
1 1496 . 12 1 1 A 144 144 ARG H H 767 8.270 8.415 -0.145 1
1 1497 . 12 1 1 A 144 144 ARG CA C 767 59.627 59.111 0.516 1
1 1498 . 12 1 1 A 144 144 ARG HA H 767 4.026 4.063 -0.037 1
1 1499 . 12 1 1 A 144 144 ARG CB C 767 30.003 29.831 0.172 1
1 1507 . 12 1 1 A 145 145 MET N N 768 121.310 118.664 2.646 1
1 1508 . 12 1 1 A 145 145 MET H H 768 8.053 8.589 -0.536 1
1 1509 . 12 1 1 A 145 145 MET CA C 768 58.727 58.747 -0.020 1
1 1510 . 12 1 1 A 145 145 MET HA H 768 3.932 4.086 -0.154 1
1 1511 . 12 1 1 A 145 145 MET CB C 768 31.536 32.156 -0.620 1
1 1521 . 12 1 1 A 146 146 PHE N N 769 117.125 118.394 -1.269 1
1 1522 . 12 1 1 A 146 146 PHE H H 769 8.005 8.510 -0.505 1
1 1523 . 12 1 1 A 146 146 PHE CA C 769 59.441 61.407 -1.966 1
1 1524 . 12 1 1 A 146 146 PHE HA H 769 4.582 4.275 0.307 1
1 1525 . 12 1 1 A 146 146 PHE CB C 769 37.558 38.689 -1.131 1
1 1534 . 12 1 1 A 147 147 LYS N N 770 119.226 118.363 0.863 1
1 1535 . 12 1 1 A 147 147 LYS H H 770 8.078 8.427 -0.349 1
1 1536 . 12 1 1 A 147 147 LYS CA C 770 59.479 59.866 -0.387 1
1 1537 . 12 1 1 A 147 147 LYS HA H 770 4.153 3.914 0.239 1
1 1538 . 12 1 1 A 147 147 LYS CB C 770 32.336 32.251 0.085 1
1 1547 . 12 1 1 A 148 148 GLN N N 771 118.870 118.695 0.175 1
1 1548 . 12 1 1 A 148 148 GLN H H 771 8.338 8.199 0.139 1
1 1549 . 12 1 1 A 148 148 GLN CA C 771 58.440 58.865 -0.425 1
1 1550 . 12 1 1 A 148 148 GLN HA H 771 4.140 4.099 0.041 1
1 1551 . 12 1 1 A 148 148 GLN CB C 771 28.382 28.721 -0.339 1
1 1560 . 12 1 1 A 149 149 PHE N N 772 120.162 120.670 -0.508 1
1 1561 . 12 1 1 A 149 149 PHE H H 772 8.411 8.073 0.338 1
1 1562 . 12 1 1 A 149 149 PHE CA C 772 60.460 61.798 -1.338 1
1 1563 . 12 1 1 A 149 149 PHE HA H 772 4.433 4.102 0.331 1
1 1564 . 12 1 1 A 149 149 PHE CB C 772 39.428 39.236 0.192 1
1 1573 . 12 1 1 A 150 150 ASN N N 773 117.836 117.294 0.542 1
1 1574 . 12 1 1 A 150 150 ASN H H 773 8.279 8.627 -0.348 1
1 1575 . 12 1 1 A 150 150 ASN HA H 773 4.375 4.829 -0.454 1
1 1576 . 12 1 1 A 150 150 ASN CB C 773 38.977 38.882 0.095 1
1 1582 . 12 1 1 A 151 151 LYS N N 774 118.045 116.759 1.286 1
1 1583 . 12 1 1 A 151 151 LYS H H 774 7.648 8.319 -0.671 1
1 1584 . 12 1 1 A 151 151 LYS CA C 774 57.563 56.692 0.871 1
1 1585 . 12 1 1 A 151 151 LYS HA H 774 4.225 4.439 -0.214 1
1 1586 . 12 1 1 A 151 151 LYS CB C 774 32.333 33.109 -0.776 1
1 1595 . 12 1 1 A 152 152 LEU N N 775 119.031 119.589 -0.558 1
1 1596 . 12 1 1 A 152 152 LEU H H 775 7.825 8.038 -0.213 1
1 1597 . 12 1 1 A 152 152 LEU CA C 775 55.990 57.962 -1.972 1
1 1598 . 12 1 1 A 152 152 LEU HA H 775 4.270 4.089 0.181 1
1 1599 . 12 1 1 A 152 152 LEU CB C 775 42.487 41.592 0.895 1
1 1612 . 12 1 1 A 153 153 THR N N 776 110.107 111.689 -1.582 1
1 1613 . 12 1 1 A 153 153 THR H H 776 7.525 7.651 -0.126 1
1 1614 . 12 1 1 A 153 153 THR CA C 776 61.535 65.741 -4.206 1
1 1615 . 12 1 1 A 153 153 THR HA H 776 4.332 4.024 0.308 1
1 1616 . 12 1 1 A 153 153 THR CB C 776 69.570 68.776 0.794 1
1 1622 . 12 1 1 A 154 154 GLU N N 777 122.427 121.959 0.468 1
1 1623 . 12 1 1 A 154 154 GLU H H 777 8.027 8.150 -0.123 1
1 1624 . 12 1 1 A 154 154 GLU CA C 777 57.720 58.149 -0.429 1
1 1625 . 12 1 1 A 154 154 GLU HA H 777 4.216 4.329 -0.113 1
1 1626 . 12 1 1 A 154 154 GLU CB C 777 29.977 28.140 1.837 1
1 1631 . 12 1 1 A 155 155 ASP N N 778 119.283 118.465 0.818 1
1 1632 . 12 1 1 A 155 155 ASP H H 778 8.372 8.902 -0.530 1
1 1633 . 12 1 1 A 155 155 ASP CA C 778 54.709 56.675 -1.966 1
1 1634 . 12 1 1 A 155 155 ASP HA H 778 4.602 4.581 0.021 1
1 1635 . 12 1 1 A 155 155 ASP CB C 778 40.600 40.901 -0.301 1
1 1638 . 12 1 1 A 156 156 LYS N N 779 120.684 117.963 2.721 1
1 1639 . 12 1 1 A 156 156 LYS H H 779 8.068 7.854 0.214 1
1 1640 . 12 1 1 A 156 156 LYS CA C 779 56.388 54.462 1.926 1
1 1641 . 12 1 1 A 156 156 LYS HA H 779 4.333 4.659 -0.326 1
1 1642 . 12 1 1 A 156 156 LYS CB C 779 32.814 34.655 -1.841 1
1 1651 . 12 1 1 A 157 157 ALA N N 780 123.182 123.779 -0.597 1
1 1652 . 12 1 1 A 157 157 ALA H H 780 8.197 8.660 -0.463 1
1 1653 . 12 1 1 A 157 157 ALA CA C 780 52.591 55.195 -2.604 1
1 1654 . 12 1 1 A 157 157 ALA HA H 780 4.337 3.994 0.343 1
1 1655 . 12 1 1 A 157 157 ALA CB C 780 19.186 19.108 0.078 1
1 1659 . 12 1 1 A 158 158 ASP N N 781 118.794 117.949 0.845 1
1 1660 . 12 1 1 A 158 158 ASP H H 781 8.222 8.087 0.135 1
1 1661 . 12 1 1 A 158 158 ASP CA C 781 54.003 55.883 -1.880 1
1 1662 . 12 1 1 A 158 158 ASP HA H 781 4.673 4.491 0.182 1
1 1663 . 12 1 1 A 158 158 ASP CB C 781 41.075 40.436 0.639 1
1 1666 . 12 1 1 A 159 159 VAL N N 782 120.713 119.165 1.548 1
1 1667 . 12 1 1 A 159 159 VAL H H 782 8.039 8.509 -0.470 1
1 1668 . 12 1 1 A 159 159 VAL CA C 782 63.898 66.582 -2.684 1
1 1669 . 12 1 1 A 159 159 VAL HA H 782 4.028 3.463 0.565 1
1 1670 . 12 1 1 A 159 159 VAL CB C 782 32.181 31.611 0.570 1
1 1680 . 12 1 1 A 160 160 GLN N N 783 120.756 119.753 1.003 1
1 1681 . 12 1 1 A 160 160 GLN H H 783 8.370 8.346 0.024 1
1 1682 . 12 1 1 A 160 160 GLN CA C 783 57.563 58.045 -0.482 1
1 1683 . 12 1 1 A 160 160 GLN HA H 783 4.219 4.004 0.215 1
1 1684 . 12 1 1 A 160 160 GLN CB C 783 28.410 28.397 0.013 1
1 1691 . 12 1 1 A 161 161 SER N N 784 116.111 115.336 0.775 1
1 1692 . 12 1 1 A 161 161 SER H H 784 8.190 8.248 -0.058 1
1 1693 . 12 1 1 A 161 161 SER CA C 784 60.089 61.290 -1.201 1
1 1694 . 12 1 1 A 161 161 SER HA H 784 4.361 4.109 0.252 1
1 1695 . 12 1 1 A 161 161 SER CB C 784 62.955 62.448 0.507 1
1 1698 . 12 1 1 A 162 162 ILE N N 785 122.105 122.252 -0.147 1
1 1699 . 12 1 1 A 162 162 ILE H H 785 8.014 8.219 -0.205 1
1 1700 . 12 1 1 A 162 162 ILE CA C 785 62.963 65.070 -2.107 1
1 1701 . 12 1 1 A 162 162 ILE HA H 785 3.986 3.288 0.698 1
1 1702 . 12 1 1 A 162 162 ILE CB C 785 37.568 37.548 0.020 1
1 1715 . 12 1 1 A 163 163 ILE N N 786 122.150 119.168 2.982 1
1 1716 . 12 1 1 A 163 163 ILE H H 786 7.913 8.778 -0.865 1
1 1717 . 12 1 1 A 163 163 ILE CA C 786 64.074 64.522 -0.448 1
1 1718 . 12 1 1 A 163 163 ILE HA H 786 3.947 3.576 0.371 1
1 1719 . 12 1 1 A 163 163 ILE CB C 786 37.561 37.331 0.230 1
1 1732 . 12 1 1 A 164 164 GLY N N 787 107.177 108.430 -1.253 1
1 1733 . 12 1 1 A 164 164 GLY H H 787 8.057 8.060 -0.003 1
1 1734 . 12 1 1 A 164 164 GLY CA C 787 46.938 47.289 -0.351 1
1 1735 . 12 1 1 A 164 164 GLY HA3 H 787 3.907 3.740 0.167 1
1 1736 . 12 1 1 A 164 164 GLY HA2 H 787 4.007 3.705 0.302 1
1 1737 . 12 1 1 A 165 165 LEU N N 788 123.590 122.277 1.313 1
1 1738 . 12 1 1 A 165 165 LEU H H 788 7.676 8.187 -0.511 1
1 1739 . 12 1 1 A 165 165 LEU CA C 788 57.738 58.086 -0.348 1
1 1740 . 12 1 1 A 165 165 LEU HA H 788 4.052 4.269 -0.217 1
1 1741 . 12 1 1 A 165 165 LEU CB C 788 40.833 41.741 -0.908 1
1 1753 . 12 1 1 A 166 166 GLN N N 789 119.114 116.349 2.765 1
1 1754 . 12 1 1 A 166 166 GLN H H 789 7.956 8.168 -0.212 1
1 1755 . 12 1 1 A 166 166 GLN CA C 789 59.445 59.059 0.386 1
1 1756 . 12 1 1 A 166 166 GLN HA H 789 3.844 3.666 0.178 1
1 1757 . 12 1 1 A 166 166 GLN CB C 789 27.826 28.035 -0.209 1
1 1765 . 12 1 1 A 167 167 ARG N N 790 118.851 119.535 -0.684 1
1 1766 . 12 1 1 A 167 167 ARG H H 790 8.387 8.286 0.101 1
1 1767 . 12 1 1 A 167 167 ARG CA C 790 58.942 59.204 -0.262 1
1 1768 . 12 1 1 A 167 167 ARG HA H 790 4.191 4.112 0.079 1
1 1769 . 12 1 1 A 167 167 ARG CB C 790 29.829 30.523 -0.694 1
1 1776 . 12 1 1 A 168 168 PHE N N 791 122.408 120.856 1.552 1
1 1777 . 12 1 1 A 168 168 PHE H H 791 8.127 8.410 -0.283 1
1 1778 . 12 1 1 A 168 168 PHE CA C 791 61.976 61.538 0.438 1
1 1779 . 12 1 1 A 168 168 PHE HA H 791 4.164 4.338 -0.174 1
1 1780 . 12 1 1 A 168 168 PHE CB C 791 38.894 39.645 -0.751 1
1 1788 . 12 1 1 A 169 169 PHE N N 792 119.223 120.871 -1.648 1
1 1789 . 12 1 1 A 169 169 PHE H H 792 8.500 9.369 -0.869 1
1 1790 . 12 1 1 A 169 169 PHE CA C 792 61.093 62.167 -1.074 1
1 1791 . 12 1 1 A 169 169 PHE HA H 792 4.053 4.437 -0.384 1
1 1792 . 12 1 1 A 169 169 PHE CB C 792 39.182 39.680 -0.498 1
1 1800 . 12 1 1 A 170 170 GLU N N 793 119.089 118.214 0.875 1
1 1801 . 12 1 1 A 170 170 GLU H H 793 8.718 8.308 0.410 1
1 1802 . 12 1 1 A 170 170 GLU CA C 793 59.843 59.108 0.735 1
1 1803 . 12 1 1 A 170 170 GLU HA H 793 3.483 3.614 -0.131 1
1 1804 . 12 1 1 A 170 170 GLU CB C 793 29.372 29.280 0.092 1
1 1810 . 12 1 1 A 171 171 THR N N 794 115.081 117.932 -2.851 1
1 1811 . 12 1 1 A 171 171 THR H H 794 8.205 8.064 0.141 1
1 1812 . 12 1 1 A 171 171 THR CA C 794 66.661 66.956 -0.295 1
1 1813 . 12 1 1 A 171 171 THR HA H 794 3.935 3.777 0.158 1
1 1814 . 12 1 1 A 171 171 THR CB C 794 68.604 68.689 -0.085 1
1 1820 . 12 1 1 A 172 172 ARG N N 795 120.165 118.888 1.277 1
1 1821 . 12 1 1 A 172 172 ARG H H 795 7.776 8.153 -0.377 1
1 1822 . 12 1 1 A 172 172 ARG CA C 795 57.535 59.209 -1.674 1
1 1823 . 12 1 1 A 172 172 ARG HA H 795 4.030 4.082 -0.052 1
1 1824 . 12 1 1 A 172 172 ARG CB C 795 29.886 29.711 0.175 1
1 1828 . 12 1 1 A 173 173 MET N N 796 120.347 119.576 0.771 1
1 1829 . 12 1 1 A 173 173 MET H H 796 8.503 8.263 0.240 1
1 1830 . 12 1 1 A 173 173 MET CA C 796 57.453 58.072 -0.619 1
1 1831 . 12 1 1 A 173 173 MET HA H 796 4.383 4.325 0.058 1
1 1832 . 12 1 1 A 173 173 MET CB C 796 30.469 32.089 -1.620 1
1 1840 . 12 1 1 A 174 174 ASN N N 797 119.200 116.992 2.208 1
1 1841 . 12 1 1 A 174 174 ASN H H 797 8.351 7.528 0.823 1
1 1842 . 12 1 1 A 174 174 ASN CA C 797 55.851 55.360 0.491 1
1 1843 . 12 1 1 A 174 174 ASN HA H 797 4.510 4.655 -0.145 1
1 1844 . 12 1 1 A 174 174 ASN CB C 797 38.213 38.605 -0.392 1
1 1850 . 12 1 1 A 175 175 GLU N N 798 119.589 119.628 -0.039 1
1 1851 . 12 1 1 A 175 175 GLU H H 798 7.896 8.300 -0.404 1
1 1852 . 12 1 1 A 175 175 GLU CA C 798 59.033 59.312 -0.279 1
1 1853 . 12 1 1 A 175 175 GLU HA H 798 3.967 4.109 -0.142 1
1 1854 . 12 1 1 A 175 175 GLU CB C 798 29.296 29.422 -0.126 1
1 1860 . 12 1 1 A 176 176 ALA N N 799 116.937 120.505 -3.568 1
1 1861 . 12 1 1 A 176 176 ALA H H 799 8.030 8.072 -0.042 1
1 1862 . 12 1 1 A 176 176 ALA CA C 799 54.179 53.664 0.515 1
1 1863 . 12 1 1 A 176 176 ALA HA H 799 4.085 4.326 -0.241 1
1 1864 . 12 1 1 A 176 176 ALA CB C 799 19.432 19.625 -0.193 1
1 1868 . 12 1 1 A 177 177 PHE N N 800 112.840 115.767 -2.927 1
1 1869 . 12 1 1 A 177 177 PHE H H 800 8.544 7.766 0.778 1
1 1870 . 12 1 1 A 177 177 PHE CA C 800 59.182 58.145 1.037 1
1 1871 . 12 1 1 A 177 177 PHE HA H 800 4.515 4.799 -0.284 1
1 1872 . 12 1 1 A 177 177 PHE CB C 800 39.642 39.344 0.298 1
1 1881 . 12 1 1 A 178 178 GLY N N 801 110.339 107.042 3.297 1
1 1882 . 12 1 1 A 178 178 GLY H H 801 7.974 7.660 0.314 1
1 1883 . 12 1 1 A 178 178 GLY CA C 801 45.607 46.163 -0.556 1
1 1884 . 12 1 1 A 178 178 GLY HA3 H 801 3.988 4.066 -0.078 1
1 1885 . 12 1 1 A 178 178 GLY HA2 H 801 4.031 4.062 -0.031 1
1 1886 . 12 1 1 A 179 179 ASP N N 802 119.627 117.747 1.880 1
1 1887 . 12 1 1 A 179 179 ASP H H 802 8.185 7.824 0.361 1
1 1888 . 12 1 1 A 179 179 ASP CA C 802 53.949 53.904 0.045 1
1 1889 . 12 1 1 A 179 179 ASP HA H 802 4.679 4.709 -0.030 1
1 1890 . 12 1 1 A 179 179 ASP CB C 802 41.070 43.384 -2.314 1
1 1892 . 12 1 1 A 180 180 THR N N 803 113.769 114.262 -0.493 1
1 1893 . 12 1 1 A 180 180 THR H H 803 8.037 8.031 0.006 1
1 1894 . 12 1 1 A 180 180 THR CA C 803 61.885 66.791 -4.906 1
1 1895 . 12 1 1 A 180 180 THR HA H 803 4.331 3.908 0.423 1
1 1896 . 12 1 1 A 180 180 THR CB C 803 70.002 68.672 1.330 1
1 1902 . 12 1 1 A 181 181 LYS N N 804 122.277 120.752 1.525 1
1 1903 . 12 1 1 A 181 181 LYS H H 804 8.198 7.985 0.213 1
1 1904 . 12 1 1 A 181 181 LYS CA C 804 56.652 57.031 -0.379 1
1 1905 . 12 1 1 A 181 181 LYS HA H 804 4.151 4.059 0.092 1
1 1906 . 12 1 1 A 181 181 LYS CB C 804 32.377 30.994 1.383 1
1 1914 . 12 1 1 A 182 182 PHE N N 805 119.784 118.675 1.109 1
1 1915 . 12 1 1 A 182 182 PHE H H 805 8.206 8.175 0.031 1
1 1916 . 12 1 1 A 182 182 PHE CA C 805 57.256 58.958 -1.702 1
1 1917 . 12 1 1 A 182 182 PHE HA H 805 4.664 4.317 0.347 1
1 1918 . 12 1 1 A 182 182 PHE CB C 805 38.774 38.604 0.170 1
1 1927 . 12 1 1 A 183 183 SER N N 806 123.742 117.815 5.927 1
1 1928 . 12 1 1 A 183 183 SER H H 806 8.121 8.728 -0.607 1
1 1929 . 12 1 1 A 183 183 SER CA C 806 58.203 58.934 -0.731 1
1 1930 . 12 1 1 A 183 183 SER HA H 806 4.361 4.117 0.244 1
1 1931 . 12 1 1 A 183 183 SER CB C 806 63.764 60.843 2.921 1
1 1934 . 12 1 1 A 184 184 ALA N N 807 125.704 124.505 1.199 1
1 1935 . 12 1 1 A 184 184 ALA H H 807 8.286 7.430 0.856 1
1 1936 . 12 1 1 A 184 184 ALA CA C 807 52.574 50.171 2.403 1
1 1937 . 12 1 1 A 184 184 ALA HA H 807 4.360 4.417 -0.057 1
1 1938 . 12 1 1 A 184 184 ALA CB C 807 18.947 20.889 -1.942 1
1 1942 . 12 1 1 A 185 185 VAL N N 808 118.271 120.575 -2.304 1
1 1943 . 12 1 1 A 185 185 VAL H H 808 7.958 8.543 -0.585 1
1 1944 . 12 1 1 A 185 185 VAL CA C 808 62.216 63.103 -0.887 1
1 1945 . 12 1 1 A 185 185 VAL HA H 808 4.151 4.008 0.143 1
1 1946 . 12 1 1 A 185 185 VAL CB C 808 32.178 31.676 0.502 1
1 1952 . 12 1 1 A 186 186 LEU N N 809 125.280 120.159 5.121 1
1 1953 . 12 1 1 A 186 186 LEU H H 809 8.195 7.532 0.663 1
1 1954 . 12 1 1 A 186 186 LEU CA C 809 54.474 54.390 0.084 1
1 1955 . 12 1 1 A 186 186 LEU HA H 809 4.430 4.554 -0.124 1
1 1956 . 12 1 1 A 186 186 LEU CB C 809 42.303 43.046 -0.743 1
1 1968 . 12 1 1 A 187 187 VAL N N 810 120.937 119.098 1.839 1
1 1969 . 12 1 1 A 187 187 VAL H H 810 7.985 7.565 0.420 1
1 1970 . 12 1 1 A 187 187 VAL CA C 810 62.004 62.873 -0.869 1
1 1971 . 12 1 1 A 187 187 VAL HA H 810 4.155 3.827 0.328 1
1 1972 . 12 1 1 A 187 187 VAL CB C 810 32.602 30.150 2.452 1
1 1979 . 12 1 1 A 188 188 GLU N N 811 126.353 124.913 1.440 1
1 1980 . 12 1 1 A 188 188 GLU H H 811 8.292 8.277 0.015 1
1 1981 . 12 1 1 A 188 188 GLU CA C 811 54.162 54.578 -0.416 1
1 1982 . 12 1 1 A 188 188 GLU HA H 811 4.609 4.546 0.063 1
1 1983 . 12 1 1 A 188 188 GLU CB C 811 29.775 32.451 -2.676 1
1 1 . 13 1 1 A 2 2 ALA CA C 625 52.969 54.192 -1.223 1
1 2 . 13 1 1 A 2 2 ALA HA H 625 4.493 4.070 0.423 1
1 3 . 13 1 1 A 2 2 ALA CB C 625 19.272 18.160 1.112 1
1 7 . 13 1 1 A 3 3 THR N N 626 113.570 114.362 -0.792 1
1 8 . 13 1 1 A 3 3 THR H H 626 8.176 8.569 -0.393 1
1 9 . 13 1 1 A 3 3 THR CA C 626 61.314 67.020 -5.706 1
1 10 . 13 1 1 A 3 3 THR HA H 626 4.298 3.872 0.426 1
1 11 . 13 1 1 A 3 3 THR CB C 626 69.270 68.853 0.417 1
1 17 . 13 1 1 A 4 4 ILE N N 627 115.272 117.647 -2.375 1
1 18 . 13 1 1 A 4 4 ILE H H 627 7.549 7.815 -0.266 1
1 19 . 13 1 1 A 4 4 ILE CA C 627 58.731 61.481 -2.750 1
1 20 . 13 1 1 A 4 4 ILE HA H 627 4.258 3.973 0.285 1
1 21 . 13 1 1 A 4 4 ILE CB C 627 42.246 37.080 5.166 1
1 34 . 13 1 1 A 5 5 CYS N N 628 124.095 125.203 -1.108 1
1 35 . 13 1 1 A 5 5 CYS H H 628 7.766 8.417 -0.651 1
1 36 . 13 1 1 A 5 5 CYS CA C 628 57.978 59.098 -1.120 1
1 37 . 13 1 1 A 5 5 CYS HA H 628 3.781 4.089 -0.308 1
1 38 . 13 1 1 A 5 5 CYS CB C 628 31.436 28.092 3.344 1
1 41 . 13 1 1 A 6 6 ARG N N 629 129.928 128.001 1.927 1
1 42 . 13 1 1 A 6 6 ARG H H 629 9.040 8.267 0.773 1
1 43 . 13 1 1 A 6 6 ARG CA C 629 57.514 59.375 -1.861 1
1 44 . 13 1 1 A 6 6 ARG HA H 629 3.900 3.664 0.236 1
1 45 . 13 1 1 A 6 6 ARG CB C 629 30.251 29.430 0.821 1
1 54 . 13 1 1 A 7 7 VAL N N 630 118.166 119.364 -1.198 1
1 55 . 13 1 1 A 7 7 VAL H H 630 8.734 7.534 1.200 1
1 56 . 13 1 1 A 7 7 VAL CA C 630 65.770 66.709 -0.939 1
1 57 . 13 1 1 A 7 7 VAL HA H 630 4.137 3.469 0.668 1
1 58 . 13 1 1 A 7 7 VAL CB C 630 33.079 31.757 1.322 1
1 68 . 13 1 1 A 8 8 CYS N N 631 116.148 114.897 1.251 1
1 69 . 13 1 1 A 8 8 CYS H H 631 8.143 7.493 0.650 1
1 70 . 13 1 1 A 8 8 CYS CA C 631 59.154 58.359 0.795 1
1 71 . 13 1 1 A 8 8 CYS HA H 631 5.105 4.246 0.859 1
1 72 . 13 1 1 A 8 8 CYS CB C 631 31.184 26.981 4.203 1
1 75 . 13 1 1 A 9 9 GLN N N 632 115.248 115.728 -0.480 1
1 76 . 13 1 1 A 9 9 GLN H H 632 8.132 8.837 -0.705 1
1 77 . 13 1 1 A 9 9 GLN CA C 632 57.404 57.064 0.340 1
1 78 . 13 1 1 A 9 9 GLN HA H 632 4.068 3.781 0.287 1
1 79 . 13 1 1 A 9 9 GLN CB C 632 26.002 26.403 -0.401 1
1 88 . 13 1 1 A 10 10 LYS N N 633 118.420 119.433 -1.013 1
1 89 . 13 1 1 A 10 10 LYS H H 633 8.091 7.524 0.567 1
1 90 . 13 1 1 A 10 10 LYS CA C 633 53.835 53.231 0.604 1
1 91 . 13 1 1 A 10 10 LYS HA H 633 5.046 4.475 0.571 1
1 92 . 13 1 1 A 10 10 LYS CB C 633 33.312 32.649 0.663 1
1 102 . 13 1 1 A 11 11 PRO CA C 634 62.136 63.379 -1.243 1
1 103 . 13 1 1 A 11 11 PRO HA H 634 5.056 4.404 0.652 1
1 104 . 13 1 1 A 11 11 PRO CB C 634 33.061 32.583 0.478 1
1 112 . 13 1 1 A 12 12 GLY N N 635 106.958 107.720 -0.762 1
1 113 . 13 1 1 A 12 12 GLY H H 635 8.475 8.067 0.408 1
1 114 . 13 1 1 A 12 12 GLY CA C 635 45.303 45.007 0.296 1
1 115 . 13 1 1 A 12 12 GLY HA3 H 635 3.812 4.368 -0.556 1
1 116 . 13 1 1 A 12 12 GLY HA2 H 635 4.438 4.258 0.180 1
1 117 . 13 1 1 A 13 13 ASP N N 636 124.001 121.175 2.826 1
1 118 . 13 1 1 A 13 13 ASP H H 636 8.729 8.518 0.211 1
1 119 . 13 1 1 A 13 13 ASP CA C 636 54.239 53.336 0.903 1
1 120 . 13 1 1 A 13 13 ASP HA H 636 4.656 4.731 -0.075 1
1 121 . 13 1 1 A 13 13 ASP CB C 636 39.425 39.121 0.304 1
1 124 . 13 1 1 A 14 14 LEU N N 637 121.435 123.597 -2.162 1
1 125 . 13 1 1 A 14 14 LEU H H 637 7.849 8.093 -0.244 1
1 126 . 13 1 1 A 14 14 LEU CA C 637 53.306 54.681 -1.375 1
1 127 . 13 1 1 A 14 14 LEU HA H 637 4.546 4.710 -0.164 1
1 128 . 13 1 1 A 14 14 LEU CB C 637 44.117 41.914 2.203 1
1 141 . 13 1 1 A 15 15 VAL N N 638 118.100 119.678 -1.578 1
1 142 . 13 1 1 A 15 15 VAL H H 638 8.703 8.750 -0.047 1
1 143 . 13 1 1 A 15 15 VAL CA C 638 59.865 61.179 -1.314 1
1 144 . 13 1 1 A 15 15 VAL HA H 638 4.383 4.788 -0.405 1
1 145 . 13 1 1 A 15 15 VAL CB C 638 33.305 33.018 0.287 1
1 155 . 13 1 1 A 16 16 MET N N 639 125.271 127.375 -2.104 1
1 156 . 13 1 1 A 16 16 MET H H 639 8.519 8.950 -0.431 1
1 157 . 13 1 1 A 16 16 MET CA C 639 54.122 54.623 -0.501 1
1 158 . 13 1 1 A 16 16 MET HA H 639 5.210 4.905 0.305 1
1 159 . 13 1 1 A 16 16 MET CB C 639 36.310 32.676 3.634 1
1 169 . 13 1 1 A 17 17 CYS N N 640 129.455 124.941 4.514 1
1 170 . 13 1 1 A 17 17 CYS H H 640 9.139 8.823 0.316 1
1 171 . 13 1 1 A 17 17 CYS CA C 640 59.996 59.952 0.044 1
1 172 . 13 1 1 A 17 17 CYS HA H 640 4.658 4.219 0.439 1
1 173 . 13 1 1 A 17 17 CYS CB C 640 31.238 28.386 2.852 1
1 176 . 13 1 1 A 18 18 ASN N N 641 128.271 126.800 1.471 1
1 177 . 13 1 1 A 18 18 ASN H H 641 8.914 9.087 -0.173 1
1 178 . 13 1 1 A 18 18 ASN CA C 641 55.658 55.605 0.053 1
1 179 . 13 1 1 A 18 18 ASN HA H 641 4.584 4.384 0.200 1
1 180 . 13 1 1 A 18 18 ASN CB C 641 38.955 38.527 0.428 1
1 186 . 13 1 1 A 19 19 GLN N N 642 121.426 115.573 5.853 1
1 187 . 13 1 1 A 19 19 GLN H H 642 9.313 7.850 1.463 1
1 188 . 13 1 1 A 19 19 GLN CA C 642 57.971 56.540 1.431 1
1 189 . 13 1 1 A 19 19 GLN HA H 642 4.502 4.418 0.084 1
1 190 . 13 1 1 A 19 19 GLN CB C 642 30.466 30.673 -0.207 1
1 197 . 13 1 1 A 20 20 CYS N N 643 120.207 114.886 5.321 1
1 198 . 13 1 1 A 20 20 CYS H H 643 8.542 7.605 0.937 1
1 199 . 13 1 1 A 20 20 CYS CA C 643 59.473 58.070 1.403 1
1 200 . 13 1 1 A 20 20 CYS HA H 643 4.663 4.683 -0.020 1
1 201 . 13 1 1 A 20 20 CYS CB C 643 31.889 28.165 3.724 1
1 204 . 13 1 1 A 21 21 GLU N N 644 114.113 115.184 -1.071 1
1 205 . 13 1 1 A 21 21 GLU H H 644 7.441 8.243 -0.802 1
1 206 . 13 1 1 A 21 21 GLU CA C 644 57.994 58.229 -0.235 1
1 207 . 13 1 1 A 21 21 GLU HA H 644 4.285 3.992 0.293 1
1 208 . 13 1 1 A 21 21 GLU CB C 644 26.843 27.593 -0.750 1
1 214 . 13 1 1 A 22 22 PHE N N 645 120.911 120.287 0.624 1
1 215 . 13 1 1 A 22 22 PHE H H 645 8.941 8.643 0.298 1
1 216 . 13 1 1 A 22 22 PHE CA C 645 57.356 59.137 -1.781 1
1 217 . 13 1 1 A 22 22 PHE HA H 645 4.777 4.561 0.216 1
1 218 . 13 1 1 A 22 22 PHE CB C 645 38.709 39.678 -0.969 1
1 226 . 13 1 1 A 23 23 CYS N N 646 115.830 124.807 -8.977 1
1 227 . 13 1 1 A 23 23 CYS H H 646 8.137 8.656 -0.519 1
1 228 . 13 1 1 A 23 23 CYS CA C 646 56.600 58.469 -1.869 1
1 229 . 13 1 1 A 23 23 CYS HA H 646 5.813 5.862 -0.049 1
1 230 . 13 1 1 A 23 23 CYS CB C 646 30.951 28.481 2.470 1
1 233 . 13 1 1 A 24 24 PHE N N 647 116.053 120.748 -4.695 1
1 234 . 13 1 1 A 24 24 PHE H H 647 9.011 8.554 0.457 1
1 235 . 13 1 1 A 24 24 PHE CA C 647 56.827 56.955 -0.128 1
1 236 . 13 1 1 A 24 24 PHE HA H 647 5.910 4.861 1.049 1
1 237 . 13 1 1 A 24 24 PHE CB C 647 44.608 42.851 1.757 1
1 246 . 13 1 1 A 25 25 HIS N N 648 120.957 122.433 -1.476 1
1 247 . 13 1 1 A 25 25 HIS H H 648 8.427 9.149 -0.722 1
1 248 . 13 1 1 A 25 25 HIS CA C 648 58.971 57.095 1.876 1
1 249 . 13 1 1 A 25 25 HIS HA H 648 4.929 4.384 0.545 1
1 250 . 13 1 1 A 25 25 HIS CB C 648 31.178 29.793 1.385 1
1 257 . 13 1 1 A 26 26 LEU N N 649 123.176 117.149 6.027 1
1 258 . 13 1 1 A 26 26 LEU H H 649 9.369 8.050 1.319 1
1 259 . 13 1 1 A 26 26 LEU CA C 649 59.646 57.609 2.037 1
1 260 . 13 1 1 A 26 26 LEU HA H 649 3.829 3.713 0.116 1
1 261 . 13 1 1 A 26 26 LEU CB C 649 39.426 40.275 -0.849 1
1 274 . 13 1 1 A 27 27 ASP N N 650 109.058 118.333 -9.275 1
1 275 . 13 1 1 A 27 27 ASP H H 650 8.326 9.586 -1.260 1
1 276 . 13 1 1 A 27 27 ASP CA C 650 53.998 56.942 -2.944 1
1 277 . 13 1 1 A 27 27 ASP HA H 650 4.739 4.357 0.382 1
1 278 . 13 1 1 A 27 27 ASP CB C 650 40.331 40.193 0.138 1
1 280 . 13 1 1 A 28 28 CYS N N 651 117.495 116.505 0.990 1
1 281 . 13 1 1 A 28 28 CYS H H 651 7.480 8.156 -0.676 1
1 282 . 13 1 1 A 28 28 CYS CA C 651 61.534 63.158 -1.624 1
1 283 . 13 1 1 A 28 28 CYS HA H 651 4.245 4.666 -0.421 1
1 284 . 13 1 1 A 28 28 CYS CB C 651 31.646 27.709 3.937 1
1 286 . 13 1 1 A 29 29 HIS N N 652 116.384 122.102 -5.718 1
1 287 . 13 1 1 A 29 29 HIS H H 652 6.894 7.770 -0.876 1
1 288 . 13 1 1 A 29 29 HIS CA C 652 59.713 57.641 2.072 1
1 289 . 13 1 1 A 29 29 HIS HA H 652 3.644 4.664 -1.020 1
1 290 . 13 1 1 A 29 29 HIS CB C 652 27.909 30.639 -2.730 1
1 296 . 13 1 1 A 30 30 LEU N N 653 121.110 127.580 -6.470 1
1 297 . 13 1 1 A 30 30 LEU H H 653 4.525 8.207 -3.682 1
1 298 . 13 1 1 A 30 30 LEU CA C 653 51.439 59.121 -7.682 1
1 299 . 13 1 1 A 30 30 LEU HA H 653 4.515 3.149 1.366 1
1 300 . 13 1 1 A 30 30 LEU CB C 653 46.001 40.861 5.140 1
1 312 . 13 1 1 A 31 31 PRO CA C 654 62.964 63.661 -0.697 1
1 313 . 13 1 1 A 31 31 PRO HA H 654 4.471 4.254 0.217 1
1 314 . 13 1 1 A 31 31 PRO CB C 654 34.045 32.071 1.974 1
1 322 . 13 1 1 A 32 32 ALA N N 655 125.871 119.875 5.996 1
1 323 . 13 1 1 A 32 32 ALA H H 655 8.766 7.613 1.153 1
1 324 . 13 1 1 A 32 32 ALA CA C 655 52.771 52.958 -0.187 1
1 325 . 13 1 1 A 32 32 ALA HA H 655 4.349 4.892 -0.543 1
1 326 . 13 1 1 A 32 32 ALA CB C 655 18.177 17.840 0.337 1
1 330 . 13 1 1 A 33 33 LEU N N 656 123.348 126.199 -2.851 1
1 331 . 13 1 1 A 33 33 LEU H H 656 8.230 8.400 -0.170 1
1 332 . 13 1 1 A 33 33 LEU CA C 656 54.014 57.705 -3.691 1
1 333 . 13 1 1 A 33 33 LEU HA H 656 4.445 3.858 0.587 1
1 334 . 13 1 1 A 33 33 LEU CB C 656 43.197 41.928 1.269 1
1 347 . 13 1 1 A 34 34 GLN N N 657 119.992 115.365 4.627 1
1 348 . 13 1 1 A 34 34 GLN H H 657 8.679 7.822 0.857 1
1 349 . 13 1 1 A 34 34 GLN CA C 657 56.354 57.533 -1.179 1
1 350 . 13 1 1 A 34 34 GLN HA H 657 4.159 3.952 0.207 1
1 351 . 13 1 1 A 34 34 GLN CB C 657 29.555 26.587 2.968 1
1 359 . 13 1 1 A 35 35 ASP N N 658 115.420 115.702 -0.282 1
1 360 . 13 1 1 A 35 35 ASP H H 658 7.457 7.492 -0.035 1
1 361 . 13 1 1 A 35 35 ASP CA C 658 51.696 53.989 -2.293 1
1 362 . 13 1 1 A 35 35 ASP HA H 658 4.626 4.871 -0.245 1
1 363 . 13 1 1 A 35 35 ASP CB C 658 43.431 43.277 0.154 1
1 366 . 13 1 1 A 36 36 VAL N N 659 122.099 120.957 1.142 1
1 367 . 13 1 1 A 36 36 VAL H H 659 8.624 8.557 0.067 1
1 368 . 13 1 1 A 36 36 VAL CA C 659 60.994 61.202 -0.208 1
1 369 . 13 1 1 A 36 36 VAL HA H 659 3.752 3.932 -0.180 1
1 370 . 13 1 1 A 36 36 VAL CB C 659 32.087 31.595 0.492 1
1 380 . 13 1 1 A 37 37 PRO CA C 660 62.728 63.490 -0.762 1
1 381 . 13 1 1 A 37 37 PRO HA H 660 4.454 4.501 -0.047 1
1 382 . 13 1 1 A 37 37 PRO CB C 660 32.835 31.916 0.919 1
1 391 . 13 1 1 A 38 38 GLY N N 661 106.940 110.723 -3.783 1
1 392 . 13 1 1 A 38 38 GLY H H 661 8.189 8.140 0.049 1
1 393 . 13 1 1 A 38 38 GLY CA C 661 44.397 44.729 -0.332 1
1 394 . 13 1 1 A 38 38 GLY HA3 H 661 3.969 4.062 -0.093 1
1 395 . 13 1 1 A 38 38 GLY HA2 H 661 4.190 4.048 0.142 1
1 396 . 13 1 1 A 39 39 GLU N N 662 117.365 120.541 -3.176 1
1 397 . 13 1 1 A 39 39 GLU H H 662 8.281 8.961 -0.680 1
1 398 . 13 1 1 A 39 39 GLU CA C 662 57.520 56.816 0.704 1
1 399 . 13 1 1 A 39 39 GLU HA H 662 4.281 4.355 -0.074 1
1 400 . 13 1 1 A 39 39 GLU CB C 662 30.013 29.599 0.414 1
1 405 . 13 1 1 A 40 40 GLU N N 663 117.986 117.222 0.764 1
1 406 . 13 1 1 A 40 40 GLU H H 663 8.697 7.900 0.797 1
1 407 . 13 1 1 A 40 40 GLU CA C 663 56.389 55.794 0.595 1
1 408 . 13 1 1 A 40 40 GLU HA H 663 4.293 4.449 -0.156 1
1 409 . 13 1 1 A 40 40 GLU CB C 663 28.787 30.944 -2.157 1
1 414 . 13 1 1 A 41 41 TRP N N 664 124.391 124.064 0.327 1
1 415 . 13 1 1 A 41 41 TRP H H 664 7.967 7.474 0.493 1
1 416 . 13 1 1 A 41 41 TRP CA C 664 59.934 58.700 1.234 1
1 417 . 13 1 1 A 41 41 TRP HA H 664 4.312 4.384 -0.072 1
1 418 . 13 1 1 A 41 41 TRP CB C 664 29.998 30.173 -0.175 1
1 432 . 13 1 1 A 42 42 SER N N 665 120.355 116.951 3.404 1
1 433 . 13 1 1 A 42 42 SER H H 665 6.873 7.561 -0.688 1
1 434 . 13 1 1 A 42 42 SER CA C 665 55.166 56.115 -0.949 1
1 435 . 13 1 1 A 42 42 SER HA H 665 5.259 4.744 0.515 1
1 436 . 13 1 1 A 42 42 SER CB C 665 65.990 64.981 1.009 1
1 439 . 13 1 1 A 43 43 CYS N N 666 125.642 121.990 3.652 1
1 440 . 13 1 1 A 43 43 CYS H H 666 9.271 7.921 1.350 1
1 441 . 13 1 1 A 43 43 CYS CA C 666 57.325 58.928 -1.603 1
1 442 . 13 1 1 A 43 43 CYS HA H 666 3.952 3.003 0.949 1
1 443 . 13 1 1 A 43 43 CYS CB C 666 34.022 27.942 6.080 1
1 446 . 13 1 1 A 44 44 SER N N 667 117.158 118.769 -1.611 1
1 447 . 13 1 1 A 44 44 SER H H 667 7.068 8.809 -1.741 1
1 448 . 13 1 1 A 44 44 SER CA C 667 61.353 62.138 -0.785 1
1 449 . 13 1 1 A 44 44 SER HA H 667 4.225 4.277 -0.052 1
1 450 . 13 1 1 A 44 44 SER CB C 667 63.693 63.066 0.627 1
1 453 . 13 1 1 A 45 45 LEU N N 668 120.667 120.164 0.503 1
1 454 . 13 1 1 A 45 45 LEU H H 668 8.965 7.809 1.156 1
1 455 . 13 1 1 A 45 45 LEU CA C 668 57.416 55.385 2.031 1
1 456 . 13 1 1 A 45 45 LEU HA H 668 4.178 4.320 -0.142 1
1 457 . 13 1 1 A 45 45 LEU CB C 668 40.611 41.760 -1.149 1
1 470 . 13 1 1 A 46 46 CYS N N 669 121.872 118.764 3.108 1
1 471 . 13 1 1 A 46 46 CYS H H 669 7.816 8.227 -0.411 1
1 472 . 13 1 1 A 46 46 CYS CA C 669 62.557 59.593 2.964 1
1 473 . 13 1 1 A 46 46 CYS HA H 669 3.969 4.534 -0.565 1
1 474 . 13 1 1 A 46 46 CYS CB C 669 30.467 30.116 0.351 1
1 477 . 13 1 1 A 47 47 HIS N N 670 119.396 120.787 -1.391 1
1 478 . 13 1 1 A 47 47 HIS H H 670 8.077 8.164 -0.087 1
1 479 . 13 1 1 A 47 47 HIS CA C 670 55.625 58.193 -2.568 1
1 480 . 13 1 1 A 47 47 HIS HA H 670 4.429 4.632 -0.203 1
1 481 . 13 1 1 A 47 47 HIS CB C 670 30.326 29.394 0.932 1
1 488 . 13 1 1 A 48 48 VAL N N 671 123.528 118.664 4.864 1
1 489 . 13 1 1 A 48 48 VAL H H 671 7.978 7.826 0.152 1
1 490 . 13 1 1 A 48 48 VAL CA C 671 62.120 64.979 -2.859 1
1 491 . 13 1 1 A 48 48 VAL HA H 671 3.925 3.662 0.263 1
1 492 . 13 1 1 A 48 48 VAL CB C 671 32.396 32.411 -0.015 1
1 502 . 13 1 1 A 49 49 LEU N N 672 126.622 121.321 5.301 1
1 503 . 13 1 1 A 49 49 LEU H H 672 8.139 7.863 0.276 1
1 504 . 13 1 1 A 49 49 LEU CA C 672 52.859 56.077 -3.218 1
1 505 . 13 1 1 A 49 49 LEU HA H 672 4.475 4.478 -0.003 1
1 506 . 13 1 1 A 49 49 LEU CB C 672 41.536 40.975 0.561 1
1 518 . 13 1 1 A 50 50 PRO CA C 673 62.715 66.088 -3.373 1
1 519 . 13 1 1 A 50 50 PRO HA H 673 4.386 4.280 0.106 1
1 520 . 13 1 1 A 50 50 PRO CB C 673 32.093 31.527 0.566 1
1 528 . 13 1 1 A 51 51 ASP N N 674 120.540 118.338 2.202 1
1 529 . 13 1 1 A 51 51 ASP H H 674 8.307 8.095 0.212 1
1 530 . 13 1 1 A 51 51 ASP CA C 674 54.202 55.547 -1.345 1
1 531 . 13 1 1 A 51 51 ASP HA H 674 4.564 4.291 0.273 1
1 532 . 13 1 1 A 51 51 ASP CB C 674 41.030 40.553 0.477 1
1 535 . 13 1 1 A 52 52 LEU N N 675 122.987 121.433 1.554 1
1 536 . 13 1 1 A 52 52 LEU H H 675 8.053 7.998 0.055 1
1 537 . 13 1 1 A 52 52 LEU CA C 675 54.945 55.820 -0.875 1
1 538 . 13 1 1 A 52 52 LEU HA H 675 4.364 4.231 0.133 1
1 539 . 13 1 1 A 52 52 LEU CB C 675 42.436 41.264 1.172 1
1 551 . 13 1 1 A 53 53 LYS N N 676 122.061 119.801 2.260 1
1 552 . 13 1 1 A 53 53 LYS H H 676 8.340 7.568 0.772 1
1 553 . 13 1 1 A 53 53 LYS CA C 676 56.060 59.462 -3.402 1
1 554 . 13 1 1 A 53 53 LYS HA H 676 4.331 3.976 0.355 1
1 555 . 13 1 1 A 53 53 LYS CB C 676 32.363 31.996 0.367 1
1 564 . 13 1 1 A 54 54 GLU N N 677 121.909 116.016 5.893 1
1 565 . 13 1 1 A 54 54 GLU H H 677 8.403 7.914 0.489 1
1 566 . 13 1 1 A 54 54 GLU CA C 677 56.586 57.155 -0.569 1
1 567 . 13 1 1 A 54 54 GLU HA H 677 4.312 4.050 0.262 1
1 568 . 13 1 1 A 54 54 GLU CB C 677 30.221 28.434 1.787 1
1 573 . 13 1 1 A 55 55 GLU N N 678 121.528 121.133 0.395 1
1 574 . 13 1 1 A 55 55 GLU H H 678 8.486 7.815 0.671 1
1 575 . 13 1 1 A 55 55 GLU CA C 678 56.368 58.207 -1.839 1
1 576 . 13 1 1 A 55 55 GLU HA H 678 4.315 3.982 0.333 1
1 577 . 13 1 1 A 55 55 GLU CB C 678 28.896 29.380 -0.484 1
1 582 . 13 1 1 A 56 56 ASP N N 679 121.530 123.876 -2.346 1
1 583 . 13 1 1 A 56 56 ASP H H 679 8.322 9.025 -0.703 1
1 584 . 13 1 1 A 56 56 ASP CA C 679 54.252 54.893 -0.641 1
1 585 . 13 1 1 A 56 56 ASP HA H 679 4.680 4.354 0.326 1
1 586 . 13 1 1 A 56 56 ASP CB C 679 41.146 38.574 2.572 1
1 588 . 13 1 1 A 57 57 GLY N N 680 109.997 109.613 0.384 1
1 589 . 13 1 1 A 57 57 GLY H H 680 8.412 8.047 0.365 1
1 590 . 13 1 1 A 57 57 GLY CA C 680 45.247 46.411 -1.164 1
1 591 . 13 1 1 A 57 57 GLY HA2 H 680 4.020 3.920 0.100 1
1 592 . 13 1 1 A 58 58 SER N N 681 115.994 115.341 0.653 1
1 593 . 13 1 1 A 58 58 SER H H 681 8.280 7.873 0.407 1
1 594 . 13 1 1 A 58 58 SER CA C 681 58.239 57.816 0.423 1
1 595 . 13 1 1 A 58 58 SER HA H 681 3.996 4.756 -0.760 1
1 596 . 13 1 1 A 58 58 SER CB C 681 63.789 65.277 -1.488 1
1 598 . 13 1 1 A 59 59 LEU N N 682 123.362 121.959 1.403 1
1 599 . 13 1 1 A 59 59 LEU H H 682 8.164 8.118 0.046 1
1 600 . 13 1 1 A 59 59 LEU CA C 682 55.160 55.646 -0.486 1
1 601 . 13 1 1 A 59 59 LEU HA H 682 4.427 4.002 0.425 1
1 602 . 13 1 1 A 59 59 LEU CB C 682 42.473 40.770 1.703 1
1 614 . 13 1 1 A 60 60 SER N N 683 116.385 118.980 -2.595 1
1 615 . 13 1 1 A 60 60 SER H H 683 8.226 8.053 0.173 1
1 616 . 13 1 1 A 60 60 SER CA C 683 58.004 57.476 0.528 1
1 617 . 13 1 1 A 60 60 SER HA H 683 4.517 4.734 -0.217 1
1 618 . 13 1 1 A 60 60 SER CB C 683 63.651 65.072 -1.421 1
1 620 . 13 1 1 A 61 61 LEU N N 684 124.466 119.098 5.368 1
1 621 . 13 1 1 A 61 61 LEU H H 684 8.303 7.999 0.304 1
1 622 . 13 1 1 A 61 61 LEU CA C 684 54.959 56.166 -1.207 1
1 623 . 13 1 1 A 61 61 LEU HA H 684 4.412 3.836 0.576 1
1 624 . 13 1 1 A 61 61 LEU CB C 684 41.713 40.688 1.025 1
1 635 . 13 1 1 A 62 62 ASP N N 685 120.536 117.925 2.611 1
1 636 . 13 1 1 A 62 62 ASP H H 685 8.267 7.799 0.468 1
1 637 . 13 1 1 A 62 62 ASP CA C 685 54.276 56.209 -1.933 1
1 638 . 13 1 1 A 62 62 ASP HA H 685 4.680 4.360 0.320 1
1 639 . 13 1 1 A 62 62 ASP CB C 685 41.125 40.591 0.534 1
1 642 . 13 1 1 A 63 63 GLY N N 686 109.373 113.552 -4.179 1
1 643 . 13 1 1 A 63 63 GLY H H 686 8.277 8.919 -0.642 1
1 644 . 13 1 1 A 63 63 GLY CA C 686 45.297 46.209 -0.912 1
1 645 . 13 1 1 A 63 63 GLY HA2 H 686 3.992 3.838 0.154 1
1 646 . 13 1 1 A 64 64 ALA N N 687 123.584 124.488 -0.904 1
1 647 . 13 1 1 A 64 64 ALA H H 687 8.129 8.288 -0.159 1
1 648 . 13 1 1 A 64 64 ALA CA C 687 52.637 52.878 -0.241 1
1 649 . 13 1 1 A 64 64 ALA HA H 687 4.379 4.528 -0.149 1
1 650 . 13 1 1 A 64 64 ALA CB C 687 19.122 19.593 -0.471 1
1 654 . 13 1 1 A 65 65 ASP N N 688 118.924 117.092 1.832 1
1 655 . 13 1 1 A 65 65 ASP H H 688 8.326 7.928 0.398 1
1 656 . 13 1 1 A 65 65 ASP CA C 688 53.972 54.000 -0.028 1
1 657 . 13 1 1 A 65 65 ASP HA H 688 4.682 4.535 0.147 1
1 658 . 13 1 1 A 65 65 ASP CB C 688 41.061 39.783 1.278 1
1 660 . 13 1 1 A 66 66 SER N N 689 116.036 117.080 -1.044 1
1 661 . 13 1 1 A 66 66 SER H H 689 8.285 8.072 0.213 1
1 662 . 13 1 1 A 66 66 SER CA C 689 58.352 57.041 1.311 1
1 663 . 13 1 1 A 66 66 SER HA H 689 4.443 4.723 -0.280 1
1 664 . 13 1 1 A 66 66 SER CB C 689 63.665 66.293 -2.628 1
1 666 . 13 1 1 A 67 67 THR N N 690 115.059 116.090 -1.031 1
1 667 . 13 1 1 A 67 67 THR H H 690 8.253 8.881 -0.628 1
1 668 . 13 1 1 A 67 67 THR CA C 690 62.556 62.811 -0.255 1
1 669 . 13 1 1 A 67 67 THR HA H 690 4.379 4.145 0.234 1
1 670 . 13 1 1 A 67 67 THR CB C 690 69.623 66.468 3.155 1
1 676 . 13 1 1 A 68 68 GLY N N 691 111.091 111.918 -0.827 1
1 677 . 13 1 1 A 68 68 GLY H H 691 8.366 8.451 -0.085 1
1 678 . 13 1 1 A 68 68 GLY CA C 691 45.297 46.459 -1.162 1
1 679 . 13 1 1 A 68 68 GLY HA2 H 691 4.002 3.984 0.018 1
1 680 . 13 1 1 A 69 69 VAL N N 692 119.280 118.309 0.971 1
1 681 . 13 1 1 A 69 69 VAL H H 692 7.876 8.025 -0.149 1
1 682 . 13 1 1 A 69 69 VAL CA C 692 62.068 65.561 -3.493 1
1 683 . 13 1 1 A 69 69 VAL HA H 692 4.176 3.717 0.459 1
1 684 . 13 1 1 A 69 69 VAL CB C 692 32.322 31.494 0.828 1
1 690 . 13 1 1 A 70 70 VAL N N 693 123.601 119.326 4.275 1
1 691 . 13 1 1 A 70 70 VAL H H 693 8.102 7.741 0.361 1
1 692 . 13 1 1 A 70 70 VAL CA C 693 61.886 63.983 -2.097 1
1 693 . 13 1 1 A 70 70 VAL HA H 693 4.150 4.339 -0.189 1
1 694 . 13 1 1 A 70 70 VAL CB C 693 32.429 33.657 -1.228 1
1 700 . 13 1 1 A 71 71 ALA N N 694 129.048 123.297 5.751 1
1 701 . 13 1 1 A 71 71 ALA H H 694 8.374 7.893 0.481 1
1 702 . 13 1 1 A 71 71 ALA CA C 694 52.125 52.938 -0.813 1
1 703 . 13 1 1 A 71 71 ALA HA H 694 4.454 4.053 0.401 1
1 704 . 13 1 1 A 71 71 ALA CB C 694 19.203 17.239 1.964 1
1 708 . 13 1 1 A 72 72 LYS N N 695 118.535 117.399 1.136 1
1 709 . 13 1 1 A 72 72 LYS H H 695 7.833 7.893 -0.060 1
1 710 . 13 1 1 A 72 72 LYS CA C 695 54.556 59.585 -5.029 1
1 711 . 13 1 1 A 72 72 LYS HA H 695 4.827 3.967 0.860 1
1 712 . 13 1 1 A 72 72 LYS CB C 695 35.245 32.677 2.568 1
1 722 . 13 1 1 A 73 73 LEU N N 696 121.834 119.617 2.217 1
1 723 . 13 1 1 A 73 73 LEU H H 696 8.772 7.585 1.187 1
1 724 . 13 1 1 A 73 73 LEU CA C 696 54.973 56.824 -1.851 1
1 725 . 13 1 1 A 73 73 LEU HA H 696 4.268 4.212 0.056 1
1 726 . 13 1 1 A 73 73 LEU CB C 696 42.467 42.477 -0.010 1
1 739 . 13 1 1 A 74 74 SER N N 697 121.120 109.388 11.732 1
1 740 . 13 1 1 A 74 74 SER H H 697 8.890 8.032 0.858 1
1 741 . 13 1 1 A 74 74 SER CA C 697 56.165 56.059 0.106 1
1 742 . 13 1 1 A 74 74 SER HA H 697 4.710 4.703 0.007 1
1 743 . 13 1 1 A 74 74 SER CB C 697 62.177 66.031 -3.854 1
1 745 . 13 1 1 A 75 75 PRO CA C 698 66.251 64.864 1.387 1
1 746 . 13 1 1 A 75 75 PRO HA H 698 4.350 4.374 -0.024 1
1 747 . 13 1 1 A 75 75 PRO CB C 698 31.661 31.835 -0.174 1
1 755 . 13 1 1 A 76 76 ALA N N 699 117.914 119.808 -1.894 1
1 756 . 13 1 1 A 76 76 ALA H H 699 8.458 7.696 0.762 1
1 757 . 13 1 1 A 76 76 ALA CA C 699 55.000 54.979 0.021 1
1 758 . 13 1 1 A 76 76 ALA HA H 699 4.132 4.080 0.052 1
1 759 . 13 1 1 A 76 76 ALA CB C 699 18.785 18.645 0.140 1
1 763 . 13 1 1 A 77 77 ASN N N 700 116.945 116.738 0.207 1
1 764 . 13 1 1 A 77 77 ASN H H 700 7.760 8.471 -0.711 1
1 765 . 13 1 1 A 77 77 ASN CA C 700 55.210 56.416 -1.206 1
1 766 . 13 1 1 A 77 77 ASN HA H 700 4.763 4.058 0.705 1
1 767 . 13 1 1 A 77 77 ASN CB C 700 38.005 37.664 0.341 1
1 770 . 13 1 1 A 78 78 GLN N N 701 124.719 119.525 5.194 1
1 771 . 13 1 1 A 78 78 GLN H H 701 9.480 8.392 1.088 1
1 772 . 13 1 1 A 78 78 GLN CA C 701 59.634 59.245 0.389 1
1 773 . 13 1 1 A 78 78 GLN HA H 701 3.673 4.059 -0.386 1
1 774 . 13 1 1 A 78 78 GLN CB C 701 27.114 28.321 -1.207 1
1 782 . 13 1 1 A 79 79 ARG N N 702 117.069 119.497 -2.428 1
1 783 . 13 1 1 A 79 79 ARG H H 702 7.654 7.714 -0.060 1
1 784 . 13 1 1 A 79 79 ARG CA C 702 57.561 59.572 -2.011 1
1 785 . 13 1 1 A 79 79 ARG HA H 702 4.487 4.043 0.444 1
1 786 . 13 1 1 A 79 79 ARG CB C 702 29.680 30.228 -0.548 1
1 794 . 13 1 1 A 80 80 LYS N N 703 119.251 118.534 0.717 1
1 795 . 13 1 1 A 80 80 LYS H H 703 7.636 8.376 -0.740 1
1 796 . 13 1 1 A 80 80 LYS CA C 703 60.735 59.450 1.285 1
1 797 . 13 1 1 A 80 80 LYS HA H 703 3.702 4.084 -0.382 1
1 798 . 13 1 1 A 80 80 LYS CB C 703 34.002 32.281 1.721 1
1 808 . 13 1 1 A 81 81 CYS N N 704 115.848 118.789 -2.941 1
1 809 . 13 1 1 A 81 81 CYS H H 704 8.031 8.389 -0.358 1
1 810 . 13 1 1 A 81 81 CYS CA C 704 64.823 63.611 1.212 1
1 811 . 13 1 1 A 81 81 CYS HA H 704 3.687 3.831 -0.144 1
1 812 . 13 1 1 A 81 81 CYS CB C 704 26.491 26.348 0.143 1
1 815 . 13 1 1 A 82 82 GLU N N 705 118.931 119.647 -0.716 1
1 816 . 13 1 1 A 82 82 GLU H H 705 8.286 8.840 -0.554 1
1 817 . 13 1 1 A 82 82 GLU CA C 705 59.887 59.676 0.211 1
1 818 . 13 1 1 A 82 82 GLU HA H 705 3.589 4.220 -0.631 1
1 819 . 13 1 1 A 82 82 GLU CB C 705 29.067 29.570 -0.503 1
1 825 . 13 1 1 A 83 83 ARG N N 706 119.029 118.903 0.126 1
1 826 . 13 1 1 A 83 83 ARG H H 706 7.931 8.381 -0.450 1
1 827 . 13 1 1 A 83 83 ARG CA C 706 60.133 58.584 1.549 1
1 828 . 13 1 1 A 83 83 ARG HA H 706 3.748 4.647 -0.899 1
1 829 . 13 1 1 A 83 83 ARG CB C 706 30.197 30.334 -0.137 1
1 838 . 13 1 1 A 84 84 VAL N N 707 119.247 119.429 -0.182 1
1 839 . 13 1 1 A 84 84 VAL H H 707 7.762 8.606 -0.844 1
1 840 . 13 1 1 A 84 84 VAL CA C 707 67.133 65.549 1.584 1
1 841 . 13 1 1 A 84 84 VAL HA H 707 3.562 4.092 -0.530 1
1 842 . 13 1 1 A 84 84 VAL CB C 707 31.857 32.101 -0.244 1
1 852 . 13 1 1 A 85 85 LEU N N 708 119.414 120.596 -1.182 1
1 853 . 13 1 1 A 85 85 LEU H H 708 8.844 8.791 0.053 1
1 854 . 13 1 1 A 85 85 LEU CA C 708 57.561 58.221 -0.660 1
1 855 . 13 1 1 A 85 85 LEU HA H 708 4.366 4.150 0.216 1
1 856 . 13 1 1 A 85 85 LEU CB C 708 41.320 41.238 0.082 1
1 869 . 13 1 1 A 86 86 LEU N N 709 120.156 121.074 -0.918 1
1 870 . 13 1 1 A 86 86 LEU H H 709 9.044 7.915 1.129 1
1 871 . 13 1 1 A 86 86 LEU CA C 709 57.977 57.881 0.096 1
1 872 . 13 1 1 A 86 86 LEU HA H 709 4.382 4.137 0.245 1
1 873 . 13 1 1 A 86 86 LEU CB C 709 41.069 41.612 -0.543 1
1 886 . 13 1 1 A 87 87 ALA N N 710 121.264 121.175 0.089 1
1 887 . 13 1 1 A 87 87 ALA H H 710 8.136 8.750 -0.614 1
1 888 . 13 1 1 A 87 87 ALA CA C 710 55.439 55.892 -0.453 1
1 889 . 13 1 1 A 87 87 ALA HA H 710 4.217 4.586 -0.369 1
1 890 . 13 1 1 A 87 87 ALA CB C 710 17.525 18.985 -1.460 1
1 894 . 13 1 1 A 88 88 LEU N N 711 117.148 118.154 -1.006 1
1 895 . 13 1 1 A 88 88 LEU H H 711 8.158 9.237 -1.079 1
1 896 . 13 1 1 A 88 88 LEU CA C 711 58.688 57.793 0.895 1
1 897 . 13 1 1 A 88 88 LEU HA H 711 4.401 3.593 0.808 1
1 898 . 13 1 1 A 88 88 LEU CB C 711 41.534 42.105 -0.571 1
1 911 . 13 1 1 A 89 89 PHE N N 712 117.048 117.620 -0.572 1
1 912 . 13 1 1 A 89 89 PHE H H 712 8.536 9.022 -0.486 1
1 913 . 13 1 1 A 89 89 PHE CA C 712 62.732 61.235 1.497 1
1 914 . 13 1 1 A 89 89 PHE HA H 712 3.971 5.427 -1.456 1
1 915 . 13 1 1 A 89 89 PHE CB C 712 40.351 39.565 0.786 1
1 922 . 13 1 1 A 90 90 CYS N N 713 111.682 116.792 -5.110 1
1 923 . 13 1 1 A 90 90 CYS H H 713 7.689 9.239 -1.550 1
1 924 . 13 1 1 A 90 90 CYS CA C 713 60.573 62.096 -1.523 1
1 925 . 13 1 1 A 90 90 CYS HA H 713 4.614 4.181 0.433 1
1 926 . 13 1 1 A 90 90 CYS CB C 713 28.820 27.832 0.988 1
1 929 . 13 1 1 A 91 91 HIS N N 714 123.036 117.249 5.787 1
1 930 . 13 1 1 A 91 91 HIS H H 714 7.517 7.622 -0.105 1
1 931 . 13 1 1 A 91 91 HIS CA C 714 54.945 54.374 0.571 1
1 932 . 13 1 1 A 91 91 HIS HA H 714 4.939 4.538 0.401 1
1 933 . 13 1 1 A 91 91 HIS CB C 714 31.433 31.602 -0.169 1
1 940 . 13 1 1 A 92 92 GLU CA C 715 61.506 60.787 0.719 1
1 941 . 13 1 1 A 92 92 GLU HA H 715 4.052 3.941 0.111 1
1 942 . 13 1 1 A 92 92 GLU CB C 715 26.765 29.341 -2.576 1
1 947 . 13 1 1 A 93 93 PRO CA C 716 65.272 66.551 -1.279 1
1 948 . 13 1 1 A 93 93 PRO HA H 716 4.294 4.470 -0.176 1
1 949 . 13 1 1 A 93 93 PRO CB C 716 31.486 31.299 0.187 1
1 958 . 13 1 1 A 94 94 CYS N N 717 110.309 115.564 -5.255 1
1 959 . 13 1 1 A 94 94 CYS H H 717 7.667 8.365 -0.698 1
1 960 . 13 1 1 A 94 94 CYS CA C 717 58.484 62.150 -3.666 1
1 961 . 13 1 1 A 94 94 CYS HA H 717 4.406 4.052 0.354 1
1 962 . 13 1 1 A 94 94 CYS CB C 717 28.612 27.101 1.511 1
1 965 . 13 1 1 A 95 95 ARG N N 718 122.655 120.447 2.208 1
1 966 . 13 1 1 A 95 95 ARG H H 718 7.928 8.403 -0.475 1
1 967 . 13 1 1 A 95 95 ARG CA C 718 60.829 60.515 0.314 1
1 968 . 13 1 1 A 95 95 ARG HA H 718 3.740 3.469 0.271 1
1 969 . 13 1 1 A 95 95 ARG CB C 718 28.131 29.271 -1.140 1
1 977 . 13 1 1 A 96 96 PRO CA C 719 65.328 66.060 -0.732 1
1 978 . 13 1 1 A 96 96 PRO HA H 719 4.456 4.266 0.190 1
1 979 . 13 1 1 A 96 96 PRO CB C 719 31.665 30.707 0.958 1
1 987 . 13 1 1 A 97 97 LEU N N 720 112.429 117.524 -5.095 1
1 988 . 13 1 1 A 97 97 LEU H H 720 7.720 6.926 0.794 1
1 989 . 13 1 1 A 97 97 LEU CA C 720 54.707 57.387 -2.680 1
1 990 . 13 1 1 A 97 97 LEU HA H 720 4.228 3.716 0.512 1
1 991 . 13 1 1 A 97 97 LEU CB C 720 40.391 41.185 -0.794 1
1 1004 . 13 1 1 A 98 98 HIS N N 721 118.891 116.592 2.299 1
1 1005 . 13 1 1 A 98 98 HIS H H 721 7.964 8.722 -0.758 1
1 1006 . 13 1 1 A 98 98 HIS CA C 721 60.901 58.178 2.723 1
1 1007 . 13 1 1 A 98 98 HIS HA H 721 4.190 4.171 0.019 1
1 1008 . 13 1 1 A 98 98 HIS CB C 721 31.678 29.508 2.170 1
1 1015 . 13 1 1 A 99 99 GLN N N 722 116.787 116.637 0.150 1
1 1016 . 13 1 1 A 99 99 GLN H H 722 8.090 7.606 0.484 1
1 1017 . 13 1 1 A 99 99 GLN CA C 722 55.180 54.710 0.470 1
1 1018 . 13 1 1 A 99 99 GLN HA H 722 4.808 4.585 0.223 1
1 1019 . 13 1 1 A 99 99 GLN CB C 722 30.690 30.245 0.445 1
1 1024 . 13 1 1 A 100 100 LEU H H 723 9.277 8.781 0.496 1
1 1025 . 13 1 1 A 100 100 LEU CA C 723 55.397 55.528 -0.131 1
1 1026 . 13 1 1 A 100 100 LEU HA H 723 4.566 4.551 0.015 1
1 1027 . 13 1 1 A 100 100 LEU CB C 723 43.862 44.819 -0.957 1
1 1040 . 13 1 1 A 101 101 ALA N N 724 123.211 121.045 2.166 1
1 1041 . 13 1 1 A 101 101 ALA H H 724 8.577 7.276 1.301 1
1 1042 . 13 1 1 A 101 101 ALA CA C 724 52.591 51.646 0.945 1
1 1043 . 13 1 1 A 101 101 ALA HA H 724 4.392 4.382 0.010 1
1 1044 . 13 1 1 A 101 101 ALA CB C 724 19.262 20.277 -1.015 1
1 1048 . 13 1 1 A 102 102 THR N N 725 112.189 110.678 1.511 1
1 1049 . 13 1 1 A 102 102 THR H H 725 8.069 8.308 -0.239 1
1 1050 . 13 1 1 A 102 102 THR CA C 725 61.802 60.798 1.004 1
1 1051 . 13 1 1 A 102 102 THR HA H 725 4.366 4.756 -0.390 1
1 1052 . 13 1 1 A 102 102 THR CB C 725 69.684 69.220 0.464 1
1 1058 . 13 1 1 A 103 103 ASP N N 726 121.846 123.758 -1.912 1
1 1059 . 13 1 1 A 103 103 ASP H H 726 8.195 8.062 0.133 1
1 1060 . 13 1 1 A 103 103 ASP CA C 726 54.057 57.496 -3.439 1
1 1061 . 13 1 1 A 103 103 ASP HA H 726 4.681 4.341 0.340 1
1 1062 . 13 1 1 A 103 103 ASP CB C 726 41.228 40.532 0.696 1
1 1064 . 13 1 1 A 104 104 SER N N 727 116.230 114.019 2.211 1
1 1065 . 13 1 1 A 104 104 SER H H 727 8.260 8.160 0.100 1
1 1066 . 13 1 1 A 104 104 SER CA C 727 58.945 59.467 -0.522 1
1 1067 . 13 1 1 A 104 104 SER HA H 727 4.468 4.130 0.338 1
1 1068 . 13 1 1 A 104 104 SER CB C 727 63.856 61.482 2.374 1
1 1070 . 13 1 1 A 105 105 THR N N 728 115.362 105.967 9.395 1
1 1071 . 13 1 1 A 105 105 THR H H 728 8.205 8.023 0.182 1
1 1072 . 13 1 1 A 105 105 THR CA C 728 62.744 62.489 0.255 1
1 1073 . 13 1 1 A 105 105 THR HA H 728 4.238 3.973 0.265 1
1 1074 . 13 1 1 A 105 105 THR CB C 728 69.490 66.518 2.972 1
1 1080 . 13 1 1 A 106 106 PHE N N 729 121.735 121.082 0.653 1
1 1081 . 13 1 1 A 106 106 PHE H H 729 8.047 8.004 0.043 1
1 1082 . 13 1 1 A 106 106 PHE CA C 729 57.966 58.085 -0.119 1
1 1083 . 13 1 1 A 106 106 PHE HA H 729 4.626 4.730 -0.104 1
1 1084 . 13 1 1 A 106 106 PHE CB C 729 39.633 41.425 -1.792 1
1 1090 . 13 1 1 A 107 107 SER N N 730 116.751 114.905 1.846 1
1 1091 . 13 1 1 A 107 107 SER H H 730 7.962 8.211 -0.249 1
1 1092 . 13 1 1 A 107 107 SER CA C 730 57.921 61.004 -3.083 1
1 1093 . 13 1 1 A 107 107 SER HA H 730 4.413 4.270 0.143 1
1 1094 . 13 1 1 A 107 107 SER CB C 730 63.659 63.258 0.401 1
1 1097 . 13 1 1 A 108 108 LEU N N 731 123.373 117.500 5.873 1
1 1098 . 13 1 1 A 108 108 LEU H H 731 8.212 7.936 0.276 1
1 1099 . 13 1 1 A 108 108 LEU CA C 731 55.650 57.217 -1.567 1
1 1100 . 13 1 1 A 108 108 LEU HA H 731 4.265 4.217 0.048 1
1 1101 . 13 1 1 A 108 108 LEU CB C 731 42.257 41.720 0.537 1
1 1113 . 13 1 1 A 109 109 ASP N N 732 118.496 119.472 -0.976 1
1 1114 . 13 1 1 A 109 109 ASP H H 732 8.172 8.561 -0.389 1
1 1115 . 13 1 1 A 109 109 ASP CA C 732 54.239 53.343 0.896 1
1 1116 . 13 1 1 A 109 109 ASP HA H 732 4.566 4.845 -0.279 1
1 1117 . 13 1 1 A 109 109 ASP CB C 732 41.124 41.391 -0.267 1
1 1120 . 13 1 1 A 110 110 GLN N N 733 119.403 118.148 1.255 1
1 1121 . 13 1 1 A 110 110 GLN H H 733 7.707 7.378 0.329 1
1 1122 . 13 1 1 A 110 110 GLN CA C 733 53.251 54.036 -0.785 1
1 1123 . 13 1 1 A 110 110 GLN HA H 733 4.675 3.530 1.145 1
1 1124 . 13 1 1 A 110 110 GLN CB C 733 29.061 29.006 0.055 1
1 1129 . 13 1 1 A 111 111 PRO CA C 734 63.869 63.736 0.133 1
1 1130 . 13 1 1 A 111 111 PRO HA H 734 4.435 4.229 0.206 1
1 1131 . 13 1 1 A 111 111 PRO CB C 734 31.900 31.398 0.502 1
1 1139 . 13 1 1 A 112 112 GLY N N 735 109.783 106.898 2.885 1
1 1140 . 13 1 1 A 112 112 GLY H H 735 8.510 7.480 1.030 1
1 1141 . 13 1 1 A 112 112 GLY CA C 735 44.954 45.469 -0.515 1
1 1142 . 13 1 1 A 112 112 GLY HA3 H 735 3.903 3.945 -0.042 1
1 1143 . 13 1 1 A 112 112 GLY HA2 H 735 3.994 3.942 0.052 1
1 1144 . 13 1 1 A 113 113 GLY N N 736 108.485 106.293 2.192 1
1 1145 . 13 1 1 A 113 113 GLY H H 736 8.138 7.711 0.427 1
1 1146 . 13 1 1 A 113 113 GLY CA C 736 44.755 44.705 0.050 1
1 1147 . 13 1 1 A 113 113 GLY HA3 H 736 3.899 4.117 -0.218 1
1 1148 . 13 1 1 A 113 113 GLY HA2 H 736 3.964 4.114 -0.150 1
1 1149 . 13 1 1 A 114 114 THR N N 737 116.361 117.625 -1.264 1
1 1150 . 13 1 1 A 114 114 THR H H 737 7.951 8.320 -0.369 1
1 1151 . 13 1 1 A 114 114 THR CA C 737 62.508 62.821 -0.313 1
1 1152 . 13 1 1 A 114 114 THR HA H 737 4.189 4.500 -0.311 1
1 1153 . 13 1 1 A 114 114 THR CB C 737 69.780 71.433 -1.653 1
1 1159 . 13 1 1 A 115 115 LEU N N 738 125.899 121.975 3.924 1
1 1160 . 13 1 1 A 115 115 LEU H H 738 8.575 7.897 0.678 1
1 1161 . 13 1 1 A 115 115 LEU CA C 738 54.534 55.254 -0.720 1
1 1162 . 13 1 1 A 115 115 LEU HA H 738 4.452 4.237 0.215 1
1 1163 . 13 1 1 A 115 115 LEU CB C 738 45.506 42.056 3.450 1
1 1176 . 13 1 1 A 116 116 ASP N N 739 115.416 116.724 -1.308 1
1 1177 . 13 1 1 A 116 116 ASP H H 739 6.819 8.248 -1.429 1
1 1178 . 13 1 1 A 116 116 ASP CA C 739 52.606 53.116 -0.510 1
1 1179 . 13 1 1 A 116 116 ASP HA H 739 4.472 4.990 -0.518 1
1 1180 . 13 1 1 A 116 116 ASP CB C 739 42.811 42.607 0.204 1
1 1183 . 13 1 1 A 117 117 LEU N N 740 115.281 121.082 -5.801 1
1 1184 . 13 1 1 A 117 117 LEU H H 740 8.213 8.594 -0.381 1
1 1185 . 13 1 1 A 117 117 LEU CA C 740 57.750 58.128 -0.378 1
1 1186 . 13 1 1 A 117 117 LEU HA H 740 3.841 3.858 -0.017 1
1 1187 . 13 1 1 A 117 117 LEU CB C 740 42.005 41.344 0.661 1
1 1200 . 13 1 1 A 118 118 THR N N 741 116.995 109.647 7.348 1
1 1201 . 13 1 1 A 118 118 THR H H 741 8.152 7.935 0.217 1
1 1202 . 13 1 1 A 118 118 THR CA C 741 68.068 65.894 2.174 1
1 1203 . 13 1 1 A 118 118 THR HA H 741 4.054 4.102 -0.048 1
1 1204 . 13 1 1 A 118 118 THR CB C 741 68.392 68.275 0.117 1
1 1210 . 13 1 1 A 119 119 LEU N N 742 127.180 122.812 4.368 1
1 1211 . 13 1 1 A 119 119 LEU H H 742 8.804 7.917 0.887 1
1 1212 . 13 1 1 A 119 119 LEU CA C 742 58.460 58.239 0.221 1
1 1213 . 13 1 1 A 119 119 LEU HA H 742 4.214 3.765 0.449 1
1 1214 . 13 1 1 A 119 119 LEU CB C 742 42.491 41.729 0.762 1
1 1227 . 13 1 1 A 120 120 ILE N N 743 120.880 118.484 2.396 1
1 1228 . 13 1 1 A 120 120 ILE H H 743 7.884 7.852 0.032 1
1 1229 . 13 1 1 A 120 120 ILE CA C 743 65.546 65.048 0.498 1
1 1230 . 13 1 1 A 120 120 ILE HA H 743 4.101 3.598 0.503 1
1 1231 . 13 1 1 A 120 120 ILE CB C 743 38.693 37.542 1.151 1
1 1244 . 13 1 1 A 121 121 ARG N N 744 119.772 123.407 -3.635 1
1 1245 . 13 1 1 A 121 121 ARG H H 744 8.792 7.996 0.796 1
1 1246 . 13 1 1 A 121 121 ARG CA C 744 60.369 59.201 1.168 1
1 1247 . 13 1 1 A 121 121 ARG HA H 744 3.896 3.767 0.129 1
1 1248 . 13 1 1 A 121 121 ARG CB C 744 30.241 29.988 0.253 1
1 1257 . 13 1 1 A 122 122 ALA N N 745 120.978 120.863 0.115 1
1 1258 . 13 1 1 A 122 122 ALA H H 745 8.303 8.274 0.029 1
1 1259 . 13 1 1 A 122 122 ALA CA C 745 55.203 54.918 0.285 1
1 1260 . 13 1 1 A 122 122 ALA HA H 745 4.246 3.960 0.286 1
1 1261 . 13 1 1 A 122 122 ALA CB C 745 18.005 18.364 -0.359 1
1 1265 . 13 1 1 A 123 123 ARG N N 746 119.408 117.677 1.731 1
1 1266 . 13 1 1 A 123 123 ARG H H 746 8.224 8.142 0.082 1
1 1267 . 13 1 1 A 123 123 ARG CA C 746 59.895 58.907 0.988 1
1 1268 . 13 1 1 A 123 123 ARG HA H 746 4.335 3.588 0.747 1
1 1269 . 13 1 1 A 123 123 ARG CB C 746 29.768 29.303 0.465 1
1 1279 . 13 1 1 A 124 124 LEU N N 747 125.115 120.096 5.019 1
1 1280 . 13 1 1 A 124 124 LEU H H 747 9.029 7.801 1.228 1
1 1281 . 13 1 1 A 124 124 LEU CA C 747 57.559 57.841 -0.282 1
1 1282 . 13 1 1 A 124 124 LEU HA H 747 4.925 4.134 0.791 1
1 1283 . 13 1 1 A 124 124 LEU CB C 747 42.721 41.377 1.344 1
1 1296 . 13 1 1 A 125 125 GLN N N 748 114.117 117.042 -2.925 1
1 1297 . 13 1 1 A 125 125 GLN H H 748 8.418 7.543 0.875 1
1 1298 . 13 1 1 A 125 125 GLN CA C 748 55.664 55.816 -0.152 1
1 1299 . 13 1 1 A 125 125 GLN HA H 748 4.444 4.282 0.162 1
1 1300 . 13 1 1 A 125 125 GLN CB C 748 29.301 28.776 0.525 1
1 1309 . 13 1 1 A 126 126 GLU N N 749 113.381 118.140 -4.759 1
1 1310 . 13 1 1 A 126 126 GLU H H 749 7.978 8.359 -0.381 1
1 1311 . 13 1 1 A 126 126 GLU CA C 749 57.789 57.871 -0.082 1
1 1312 . 13 1 1 A 126 126 GLU HA H 749 4.156 4.300 -0.144 1
1 1313 . 13 1 1 A 126 126 GLU CB C 749 25.906 29.473 -3.567 1
1 1318 . 13 1 1 A 127 127 LYS N N 750 116.557 120.226 -3.669 1
1 1319 . 13 1 1 A 127 127 LYS H H 750 8.538 8.292 0.246 1
1 1320 . 13 1 1 A 127 127 LYS CA C 750 56.417 58.607 -2.190 1
1 1321 . 13 1 1 A 127 127 LYS HA H 750 4.344 4.028 0.316 1
1 1322 . 13 1 1 A 127 127 LYS CB C 750 33.029 31.865 1.164 1
1 1332 . 13 1 1 A 128 128 LEU N N 751 119.986 119.166 0.820 1
1 1333 . 13 1 1 A 128 128 LEU H H 751 6.949 7.492 -0.543 1
1 1334 . 13 1 1 A 128 128 LEU CA C 751 53.476 55.547 -2.071 1
1 1335 . 13 1 1 A 128 128 LEU HA H 751 4.532 4.253 0.279 1
1 1336 . 13 1 1 A 128 128 LEU CB C 751 45.503 43.330 2.173 1
1 1349 . 13 1 1 A 129 129 SER N N 752 118.455 109.009 9.446 1
1 1350 . 13 1 1 A 129 129 SER H H 752 8.225 7.589 0.636 1
1 1351 . 13 1 1 A 129 129 SER CA C 752 56.129 56.093 0.036 1
1 1352 . 13 1 1 A 129 129 SER HA H 752 4.434 4.893 -0.459 1
1 1353 . 13 1 1 A 129 129 SER CB C 752 63.911 65.375 -1.464 1
1 1356 . 13 1 1 A 130 130 PRO CA C 753 61.355 65.883 -4.528 1
1 1357 . 13 1 1 A 130 130 PRO HA H 753 5.026 4.286 0.740 1
1 1358 . 13 1 1 A 130 130 PRO CB C 753 32.831 31.696 1.135 1
1 1366 . 13 1 1 A 131 131 PRO CA C 754 62.470 62.661 -0.191 1
1 1367 . 13 1 1 A 131 131 PRO HA H 754 4.651 4.543 0.108 1
1 1368 . 13 1 1 A 131 131 PRO CB C 754 32.403 32.863 -0.460 1
1 1377 . 13 1 1 A 132 132 TYR N N 755 121.321 117.246 4.075 1
1 1378 . 13 1 1 A 132 132 TYR H H 755 9.635 8.649 0.986 1
1 1379 . 13 1 1 A 132 132 TYR CA C 755 60.382 59.226 1.156 1
1 1380 . 13 1 1 A 132 132 TYR HA H 755 4.433 4.545 -0.112 1
1 1381 . 13 1 1 A 132 132 TYR CB C 755 38.713 37.303 1.410 1
1 1388 . 13 1 1 A 133 133 SER N N 756 114.917 117.868 -2.951 1
1 1389 . 13 1 1 A 133 133 SER H H 756 9.343 8.924 0.419 1
1 1390 . 13 1 1 A 133 133 SER CA C 756 58.776 59.073 -0.297 1
1 1391 . 13 1 1 A 133 133 SER HA H 756 4.430 4.606 -0.176 1
1 1392 . 13 1 1 A 133 133 SER CB C 756 64.839 64.342 0.497 1
1 1394 . 13 1 1 A 134 134 SER N N 757 112.021 114.763 -2.742 1
1 1395 . 13 1 1 A 134 134 SER H H 757 7.500 7.926 -0.426 1
1 1396 . 13 1 1 A 134 134 SER CA C 757 56.158 57.148 -0.990 1
1 1397 . 13 1 1 A 134 134 SER HA H 757 4.950 4.879 0.071 1
1 1398 . 13 1 1 A 134 134 SER CB C 757 63.906 66.005 -2.099 1
1 1401 . 13 1 1 A 135 135 PRO CA C 758 64.159 65.950 -1.791 1
1 1402 . 13 1 1 A 135 135 PRO HA H 758 4.132 4.423 -0.291 1
1 1403 . 13 1 1 A 135 135 PRO CB C 758 31.649 31.526 0.123 1
1 1412 . 13 1 1 A 136 136 GLN N N 759 116.382 117.116 -0.734 1
1 1413 . 13 1 1 A 136 136 GLN H H 759 8.067 8.198 -0.131 1
1 1414 . 13 1 1 A 136 136 GLN CA C 759 59.483 58.933 0.550 1
1 1415 . 13 1 1 A 136 136 GLN HA H 759 3.963 3.998 -0.035 1
1 1416 . 13 1 1 A 136 136 GLN CB C 759 27.414 28.503 -1.089 1
1 1425 . 13 1 1 A 137 137 GLU N N 760 121.764 118.753 3.011 1
1 1426 . 13 1 1 A 137 137 GLU H H 760 7.826 8.114 -0.288 1
1 1427 . 13 1 1 A 137 137 GLU CA C 760 59.184 58.867 0.317 1
1 1428 . 13 1 1 A 137 137 GLU HA H 760 4.063 3.743 0.320 1
1 1429 . 13 1 1 A 137 137 GLU CB C 760 30.403 28.414 1.989 1
1 1435 . 13 1 1 A 138 138 PHE N N 761 120.582 120.707 -0.125 1
1 1436 . 13 1 1 A 138 138 PHE H H 761 6.900 7.888 -0.988 1
1 1437 . 13 1 1 A 138 138 PHE CA C 761 60.105 61.600 -1.495 1
1 1438 . 13 1 1 A 138 138 PHE HA H 761 3.604 4.548 -0.944 1
1 1439 . 13 1 1 A 138 138 PHE CB C 761 38.271 39.579 -1.308 1
1 1448 . 13 1 1 A 139 139 ALA N N 762 120.917 121.124 -0.207 1
1 1449 . 13 1 1 A 139 139 ALA H H 762 8.399 8.172 0.227 1
1 1450 . 13 1 1 A 139 139 ALA CA C 762 54.940 55.343 -0.403 1
1 1451 . 13 1 1 A 139 139 ALA HA H 762 3.804 4.311 -0.507 1
1 1452 . 13 1 1 A 139 139 ALA CB C 762 18.001 18.395 -0.394 1
1 1456 . 13 1 1 A 140 140 GLN N N 763 119.041 117.499 1.542 1
1 1457 . 13 1 1 A 140 140 GLN H H 763 8.436 7.922 0.514 1
1 1458 . 13 1 1 A 140 140 GLN CA C 763 58.474 58.948 -0.474 1
1 1459 . 13 1 1 A 140 140 GLN HA H 763 4.056 4.050 0.006 1
1 1460 . 13 1 1 A 140 140 GLN CB C 763 28.345 28.312 0.033 1
1 1469 . 13 1 1 A 141 141 ASP N N 764 122.985 119.905 3.080 1
1 1470 . 13 1 1 A 141 141 ASP H H 764 7.694 8.094 -0.400 1
1 1471 . 13 1 1 A 141 141 ASP CA C 764 57.087 57.210 -0.123 1
1 1472 . 13 1 1 A 141 141 ASP HA H 764 4.517 4.373 0.144 1
1 1473 . 13 1 1 A 141 141 ASP CB C 764 39.897 40.852 -0.955 1
1 1476 . 13 1 1 A 142 142 VAL N N 765 119.630 119.693 -0.063 1
1 1477 . 13 1 1 A 142 142 VAL H H 765 7.431 8.491 -1.060 1
1 1478 . 13 1 1 A 142 142 VAL CA C 765 66.489 65.656 0.833 1
1 1479 . 13 1 1 A 142 142 VAL HA H 765 2.740 3.167 -0.427 1
1 1480 . 13 1 1 A 142 142 VAL CB C 765 30.729 30.967 -0.238 1
1 1490 . 13 1 1 A 143 143 GLY N N 766 104.089 107.262 -3.173 1
1 1491 . 13 1 1 A 143 143 GLY H H 766 8.089 8.264 -0.175 1
1 1492 . 13 1 1 A 143 143 GLY CA C 766 47.271 46.844 0.427 1
1 1493 . 13 1 1 A 143 143 GLY HA3 H 766 3.783 3.683 0.100 1
1 1494 . 13 1 1 A 143 143 GLY HA2 H 766 3.870 3.577 0.293 1
1 1495 . 13 1 1 A 144 144 ARG N N 767 123.406 122.184 1.222 1
1 1496 . 13 1 1 A 144 144 ARG H H 767 8.270 8.680 -0.410 1
1 1497 . 13 1 1 A 144 144 ARG CA C 767 59.627 59.163 0.464 1
1 1498 . 13 1 1 A 144 144 ARG HA H 767 4.026 4.100 -0.074 1
1 1499 . 13 1 1 A 144 144 ARG CB C 767 30.003 30.123 -0.120 1
1 1507 . 13 1 1 A 145 145 MET N N 768 121.310 118.631 2.679 1
1 1508 . 13 1 1 A 145 145 MET H H 768 8.053 8.591 -0.538 1
1 1509 . 13 1 1 A 145 145 MET CA C 768 58.727 58.689 0.038 1
1 1510 . 13 1 1 A 145 145 MET HA H 768 3.932 4.002 -0.070 1
1 1511 . 13 1 1 A 145 145 MET CB C 768 31.536 31.927 -0.391 1
1 1521 . 13 1 1 A 146 146 PHE N N 769 117.125 118.108 -0.983 1
1 1522 . 13 1 1 A 146 146 PHE H H 769 8.005 8.524 -0.519 1
1 1523 . 13 1 1 A 146 146 PHE CA C 769 59.441 61.465 -2.024 1
1 1524 . 13 1 1 A 146 146 PHE HA H 769 4.582 4.582 0.000 1
1 1525 . 13 1 1 A 146 146 PHE CB C 769 37.558 38.795 -1.237 1
1 1534 . 13 1 1 A 147 147 LYS N N 770 119.226 118.133 1.093 1
1 1535 . 13 1 1 A 147 147 LYS H H 770 8.078 8.080 -0.002 1
1 1536 . 13 1 1 A 147 147 LYS CA C 770 59.479 59.810 -0.331 1
1 1537 . 13 1 1 A 147 147 LYS HA H 770 4.153 4.005 0.148 1
1 1538 . 13 1 1 A 147 147 LYS CB C 770 32.336 32.320 0.016 1
1 1547 . 13 1 1 A 148 148 GLN N N 771 118.870 118.163 0.707 1
1 1548 . 13 1 1 A 148 148 GLN H H 771 8.338 8.449 -0.111 1
1 1549 . 13 1 1 A 148 148 GLN CA C 771 58.440 58.502 -0.062 1
1 1550 . 13 1 1 A 148 148 GLN HA H 771 4.140 4.138 0.002 1
1 1551 . 13 1 1 A 148 148 GLN CB C 771 28.382 28.209 0.173 1
1 1560 . 13 1 1 A 149 149 PHE N N 772 120.162 121.230 -1.068 1
1 1561 . 13 1 1 A 149 149 PHE H H 772 8.411 8.720 -0.309 1
1 1562 . 13 1 1 A 149 149 PHE CA C 772 60.460 61.476 -1.016 1
1 1563 . 13 1 1 A 149 149 PHE HA H 772 4.433 4.176 0.257 1
1 1564 . 13 1 1 A 149 149 PHE CB C 772 39.428 39.479 -0.051 1
1 1573 . 13 1 1 A 150 150 ASN N N 773 117.836 117.173 0.663 1
1 1574 . 13 1 1 A 150 150 ASN H H 773 8.279 8.326 -0.047 1
1 1575 . 13 1 1 A 150 150 ASN HA H 773 4.375 4.349 0.026 1
1 1576 . 13 1 1 A 150 150 ASN CB C 773 38.977 38.631 0.346 1
1 1582 . 13 1 1 A 151 151 LYS N N 774 118.045 116.805 1.240 1
1 1583 . 13 1 1 A 151 151 LYS H H 774 7.648 7.535 0.113 1
1 1584 . 13 1 1 A 151 151 LYS CA C 774 57.563 57.016 0.547 1
1 1585 . 13 1 1 A 151 151 LYS HA H 774 4.225 4.401 -0.176 1
1 1586 . 13 1 1 A 151 151 LYS CB C 774 32.333 32.921 -0.588 1
1 1595 . 13 1 1 A 152 152 LEU N N 775 119.031 118.521 0.510 1
1 1596 . 13 1 1 A 152 152 LEU H H 775 7.825 7.982 -0.157 1
1 1597 . 13 1 1 A 152 152 LEU CA C 775 55.990 56.790 -0.800 1
1 1598 . 13 1 1 A 152 152 LEU HA H 775 4.270 4.228 0.042 1
1 1599 . 13 1 1 A 152 152 LEU CB C 775 42.487 41.873 0.614 1
1 1612 . 13 1 1 A 153 153 THR N N 776 110.107 111.642 -1.535 1
1 1613 . 13 1 1 A 153 153 THR H H 776 7.525 7.767 -0.242 1
1 1614 . 13 1 1 A 153 153 THR CA C 776 61.535 65.541 -4.006 1
1 1615 . 13 1 1 A 153 153 THR HA H 776 4.332 4.126 0.206 1
1 1616 . 13 1 1 A 153 153 THR CB C 776 69.570 68.240 1.330 1
1 1622 . 13 1 1 A 154 154 GLU N N 777 122.427 121.627 0.800 1
1 1623 . 13 1 1 A 154 154 GLU H H 777 8.027 8.125 -0.098 1
1 1624 . 13 1 1 A 154 154 GLU CA C 777 57.720 57.901 -0.181 1
1 1625 . 13 1 1 A 154 154 GLU HA H 777 4.216 4.155 0.061 1
1 1626 . 13 1 1 A 154 154 GLU CB C 777 29.977 27.849 2.128 1
1 1631 . 13 1 1 A 155 155 ASP N N 778 119.283 119.050 0.233 1
1 1632 . 13 1 1 A 155 155 ASP H H 778 8.372 8.493 -0.121 1
1 1633 . 13 1 1 A 155 155 ASP CA C 778 54.709 55.308 -0.599 1
1 1634 . 13 1 1 A 155 155 ASP HA H 778 4.602 4.636 -0.034 1
1 1635 . 13 1 1 A 155 155 ASP CB C 778 40.600 41.339 -0.739 1
1 1638 . 13 1 1 A 156 156 LYS N N 779 120.684 118.043 2.641 1
1 1639 . 13 1 1 A 156 156 LYS H H 779 8.068 7.587 0.481 1
1 1640 . 13 1 1 A 156 156 LYS CA C 779 56.388 55.762 0.626 1
1 1641 . 13 1 1 A 156 156 LYS HA H 779 4.333 4.383 -0.050 1
1 1642 . 13 1 1 A 156 156 LYS CB C 779 32.814 33.541 -0.727 1
1 1651 . 13 1 1 A 157 157 ALA N N 780 123.182 123.226 -0.044 1
1 1652 . 13 1 1 A 157 157 ALA H H 780 8.197 8.415 -0.218 1
1 1653 . 13 1 1 A 157 157 ALA CA C 780 52.591 54.254 -1.663 1
1 1654 . 13 1 1 A 157 157 ALA HA H 780 4.337 4.169 0.168 1
1 1655 . 13 1 1 A 157 157 ALA CB C 780 19.186 19.335 -0.149 1
1 1659 . 13 1 1 A 158 158 ASP N N 781 118.794 113.635 5.159 1
1 1660 . 13 1 1 A 158 158 ASP H H 781 8.222 7.454 0.768 1
1 1661 . 13 1 1 A 158 158 ASP CA C 781 54.003 55.417 -1.414 1
1 1662 . 13 1 1 A 158 158 ASP HA H 781 4.673 4.722 -0.049 1
1 1663 . 13 1 1 A 158 158 ASP CB C 781 41.075 41.981 -0.906 1
1 1666 . 13 1 1 A 159 159 VAL N N 782 120.713 117.575 3.138 1
1 1667 . 13 1 1 A 159 159 VAL H H 782 8.039 8.426 -0.387 1
1 1668 . 13 1 1 A 159 159 VAL CA C 782 63.898 64.125 -0.227 1
1 1669 . 13 1 1 A 159 159 VAL HA H 782 4.028 4.014 0.014 1
1 1670 . 13 1 1 A 159 159 VAL CB C 782 32.181 32.387 -0.206 1
1 1680 . 13 1 1 A 160 160 GLN N N 783 120.756 121.165 -0.409 1
1 1681 . 13 1 1 A 160 160 GLN H H 783 8.370 8.163 0.207 1
1 1682 . 13 1 1 A 160 160 GLN CA C 783 57.563 58.308 -0.745 1
1 1683 . 13 1 1 A 160 160 GLN HA H 783 4.219 4.037 0.182 1
1 1684 . 13 1 1 A 160 160 GLN CB C 783 28.410 28.277 0.133 1
1 1691 . 13 1 1 A 161 161 SER N N 784 116.111 115.228 0.883 1
1 1692 . 13 1 1 A 161 161 SER H H 784 8.190 7.742 0.448 1
1 1693 . 13 1 1 A 161 161 SER CA C 784 60.089 61.316 -1.227 1
1 1694 . 13 1 1 A 161 161 SER HA H 784 4.361 4.260 0.101 1
1 1695 . 13 1 1 A 161 161 SER CB C 784 62.955 62.816 0.139 1
1 1698 . 13 1 1 A 162 162 ILE N N 785 122.105 120.990 1.115 1
1 1699 . 13 1 1 A 162 162 ILE H H 785 8.014 7.493 0.521 1
1 1700 . 13 1 1 A 162 162 ILE CA C 785 62.963 64.322 -1.359 1
1 1701 . 13 1 1 A 162 162 ILE HA H 785 3.986 3.510 0.476 1
1 1702 . 13 1 1 A 162 162 ILE CB C 785 37.568 37.507 0.061 1
1 1715 . 13 1 1 A 163 163 ILE N N 786 122.150 120.953 1.197 1
1 1716 . 13 1 1 A 163 163 ILE H H 786 7.913 8.846 -0.933 1
1 1717 . 13 1 1 A 163 163 ILE CA C 786 64.074 64.896 -0.822 1
1 1718 . 13 1 1 A 163 163 ILE HA H 786 3.947 3.684 0.263 1
1 1719 . 13 1 1 A 163 163 ILE CB C 786 37.561 37.305 0.256 1
1 1732 . 13 1 1 A 164 164 GLY N N 787 107.177 108.575 -1.398 1
1 1733 . 13 1 1 A 164 164 GLY H H 787 8.057 8.287 -0.230 1
1 1734 . 13 1 1 A 164 164 GLY CA C 787 46.938 47.334 -0.396 1
1 1735 . 13 1 1 A 164 164 GLY HA3 H 787 3.907 3.774 0.133 1
1 1736 . 13 1 1 A 164 164 GLY HA2 H 787 4.007 3.764 0.243 1
1 1737 . 13 1 1 A 165 165 LEU N N 788 123.590 122.410 1.180 1
1 1738 . 13 1 1 A 165 165 LEU H H 788 7.676 7.916 -0.240 1
1 1739 . 13 1 1 A 165 165 LEU CA C 788 57.738 58.193 -0.455 1
1 1740 . 13 1 1 A 165 165 LEU HA H 788 4.052 4.836 -0.784 1
1 1741 . 13 1 1 A 165 165 LEU CB C 788 40.833 41.779 -0.946 1
1 1753 . 13 1 1 A 166 166 GLN N N 789 119.114 116.011 3.103 1
1 1754 . 13 1 1 A 166 166 GLN H H 789 7.956 8.511 -0.555 1
1 1755 . 13 1 1 A 166 166 GLN CA C 789 59.445 58.837 0.608 1
1 1756 . 13 1 1 A 166 166 GLN HA H 789 3.844 3.250 0.594 1
1 1757 . 13 1 1 A 166 166 GLN CB C 789 27.826 28.111 -0.285 1
1 1765 . 13 1 1 A 167 167 ARG N N 790 118.851 119.495 -0.644 1
1 1766 . 13 1 1 A 167 167 ARG H H 790 8.387 8.394 -0.007 1
1 1767 . 13 1 1 A 167 167 ARG CA C 790 58.942 59.165 -0.223 1
1 1768 . 13 1 1 A 167 167 ARG HA H 790 4.191 4.067 0.124 1
1 1769 . 13 1 1 A 167 167 ARG CB C 790 29.829 30.455 -0.626 1
1 1776 . 13 1 1 A 168 168 PHE N N 791 122.408 120.935 1.473 1
1 1777 . 13 1 1 A 168 168 PHE H H 791 8.127 8.054 0.073 1
1 1778 . 13 1 1 A 168 168 PHE CA C 791 61.976 61.440 0.536 1
1 1779 . 13 1 1 A 168 168 PHE HA H 791 4.164 4.339 -0.175 1
1 1780 . 13 1 1 A 168 168 PHE CB C 791 38.894 39.563 -0.669 1
1 1788 . 13 1 1 A 169 169 PHE N N 792 119.223 120.831 -1.608 1
1 1789 . 13 1 1 A 169 169 PHE H H 792 8.500 9.344 -0.844 1
1 1790 . 13 1 1 A 169 169 PHE CA C 792 61.093 62.167 -1.074 1
1 1791 . 13 1 1 A 169 169 PHE HA H 792 4.053 4.466 -0.413 1
1 1792 . 13 1 1 A 169 169 PHE CB C 792 39.182 39.789 -0.607 1
1 1800 . 13 1 1 A 170 170 GLU N N 793 119.089 118.416 0.673 1
1 1801 . 13 1 1 A 170 170 GLU H H 793 8.718 8.351 0.367 1
1 1802 . 13 1 1 A 170 170 GLU CA C 793 59.843 59.210 0.633 1
1 1803 . 13 1 1 A 170 170 GLU HA H 793 3.483 3.651 -0.168 1
1 1804 . 13 1 1 A 170 170 GLU CB C 793 29.372 29.149 0.223 1
1 1810 . 13 1 1 A 171 171 THR N N 794 115.081 117.674 -2.593 1
1 1811 . 13 1 1 A 171 171 THR H H 794 8.205 8.072 0.133 1
1 1812 . 13 1 1 A 171 171 THR CA C 794 66.661 66.730 -0.069 1
1 1813 . 13 1 1 A 171 171 THR HA H 794 3.935 3.655 0.280 1
1 1814 . 13 1 1 A 171 171 THR CB C 794 68.604 68.368 0.236 1
1 1820 . 13 1 1 A 172 172 ARG N N 795 120.165 118.579 1.586 1
1 1821 . 13 1 1 A 172 172 ARG H H 795 7.776 8.063 -0.287 1
1 1822 . 13 1 1 A 172 172 ARG CA C 795 57.535 59.931 -2.396 1
1 1823 . 13 1 1 A 172 172 ARG HA H 795 4.030 3.902 0.128 1
1 1824 . 13 1 1 A 172 172 ARG CB C 795 29.886 29.893 -0.007 1
1 1828 . 13 1 1 A 173 173 MET N N 796 120.347 119.250 1.097 1
1 1829 . 13 1 1 A 173 173 MET H H 796 8.503 8.189 0.314 1
1 1830 . 13 1 1 A 173 173 MET CA C 796 57.453 57.932 -0.479 1
1 1831 . 13 1 1 A 173 173 MET HA H 796 4.383 4.196 0.187 1
1 1832 . 13 1 1 A 173 173 MET CB C 796 30.469 32.106 -1.637 1
1 1840 . 13 1 1 A 174 174 ASN N N 797 119.200 116.917 2.283 1
1 1841 . 13 1 1 A 174 174 ASN H H 797 8.351 7.668 0.683 1
1 1842 . 13 1 1 A 174 174 ASN CA C 797 55.851 55.143 0.708 1
1 1843 . 13 1 1 A 174 174 ASN HA H 797 4.510 4.396 0.114 1
1 1844 . 13 1 1 A 174 174 ASN CB C 797 38.213 38.617 -0.404 1
1 1850 . 13 1 1 A 175 175 GLU N N 798 119.589 119.402 0.187 1
1 1851 . 13 1 1 A 175 175 GLU H H 798 7.896 8.699 -0.803 1
1 1852 . 13 1 1 A 175 175 GLU CA C 798 59.033 58.599 0.434 1
1 1853 . 13 1 1 A 175 175 GLU HA H 798 3.967 4.616 -0.649 1
1 1854 . 13 1 1 A 175 175 GLU CB C 798 29.296 29.294 0.002 1
1 1860 . 13 1 1 A 176 176 ALA N N 799 116.937 121.901 -4.964 1
1 1861 . 13 1 1 A 176 176 ALA H H 799 8.030 7.681 0.349 1
1 1862 . 13 1 1 A 176 176 ALA CA C 799 54.179 54.172 0.007 1
1 1863 . 13 1 1 A 176 176 ALA HA H 799 4.085 4.421 -0.336 1
1 1864 . 13 1 1 A 176 176 ALA CB C 799 19.432 19.891 -0.459 1
1 1868 . 13 1 1 A 177 177 PHE N N 800 112.840 115.375 -2.535 1
1 1869 . 13 1 1 A 177 177 PHE H H 800 8.544 8.143 0.401 1
1 1870 . 13 1 1 A 177 177 PHE CA C 800 59.182 58.454 0.728 1
1 1871 . 13 1 1 A 177 177 PHE HA H 800 4.515 4.632 -0.117 1
1 1872 . 13 1 1 A 177 177 PHE CB C 800 39.642 38.738 0.904 1
1 1881 . 13 1 1 A 178 178 GLY N N 801 110.339 106.887 3.452 1
1 1882 . 13 1 1 A 178 178 GLY H H 801 7.974 8.071 -0.097 1
1 1883 . 13 1 1 A 178 178 GLY CA C 801 45.607 46.083 -0.476 1
1 1884 . 13 1 1 A 178 178 GLY HA3 H 801 3.988 4.045 -0.057 1
1 1885 . 13 1 1 A 178 178 GLY HA2 H 801 4.031 4.043 -0.012 1
1 1886 . 13 1 1 A 179 179 ASP N N 802 119.627 120.679 -1.052 1
1 1887 . 13 1 1 A 179 179 ASP H H 802 8.185 8.435 -0.250 1
1 1888 . 13 1 1 A 179 179 ASP CA C 802 53.949 55.667 -1.718 1
1 1889 . 13 1 1 A 179 179 ASP HA H 802 4.679 4.990 -0.311 1
1 1890 . 13 1 1 A 179 179 ASP CB C 802 41.070 43.519 -2.449 1
1 1892 . 13 1 1 A 180 180 THR N N 803 113.769 113.000 0.769 1
1 1893 . 13 1 1 A 180 180 THR H H 803 8.037 7.929 0.108 1
1 1894 . 13 1 1 A 180 180 THR CA C 803 61.885 62.834 -0.949 1
1 1895 . 13 1 1 A 180 180 THR HA H 803 4.331 4.868 -0.537 1
1 1896 . 13 1 1 A 180 180 THR CB C 803 70.002 70.052 -0.050 1
1 1902 . 13 1 1 A 181 181 LYS N N 804 122.277 122.598 -0.321 1
1 1903 . 13 1 1 A 181 181 LYS H H 804 8.198 8.288 -0.090 1
1 1904 . 13 1 1 A 181 181 LYS CA C 804 56.652 59.377 -2.725 1
1 1905 . 13 1 1 A 181 181 LYS HA H 804 4.151 4.100 0.051 1
1 1906 . 13 1 1 A 181 181 LYS CB C 804 32.377 32.351 0.026 1
1 1914 . 13 1 1 A 182 182 PHE N N 805 119.784 116.646 3.138 1
1 1915 . 13 1 1 A 182 182 PHE H H 805 8.206 7.953 0.253 1
1 1916 . 13 1 1 A 182 182 PHE CA C 805 57.256 58.653 -1.397 1
1 1917 . 13 1 1 A 182 182 PHE HA H 805 4.664 4.250 0.414 1
1 1918 . 13 1 1 A 182 182 PHE CB C 805 38.774 37.707 1.067 1
1 1927 . 13 1 1 A 183 183 SER N N 806 123.742 118.977 4.765 1
1 1928 . 13 1 1 A 183 183 SER H H 806 8.121 8.690 -0.569 1
1 1929 . 13 1 1 A 183 183 SER CA C 806 58.203 59.559 -1.356 1
1 1930 . 13 1 1 A 183 183 SER HA H 806 4.361 4.227 0.134 1
1 1931 . 13 1 1 A 183 183 SER CB C 806 63.764 61.272 2.492 1
1 1934 . 13 1 1 A 184 184 ALA N N 807 125.704 122.723 2.981 1
1 1935 . 13 1 1 A 184 184 ALA H H 807 8.286 7.984 0.302 1
1 1936 . 13 1 1 A 184 184 ALA CA C 807 52.574 51.606 0.968 1
1 1937 . 13 1 1 A 184 184 ALA HA H 807 4.360 4.550 -0.190 1
1 1938 . 13 1 1 A 184 184 ALA CB C 807 18.947 20.279 -1.332 1
1 1942 . 13 1 1 A 185 185 VAL N N 808 118.271 114.904 3.367 1
1 1943 . 13 1 1 A 185 185 VAL H H 808 7.958 7.834 0.124 1
1 1944 . 13 1 1 A 185 185 VAL CA C 808 62.216 62.155 0.061 1
1 1945 . 13 1 1 A 185 185 VAL HA H 808 4.151 4.142 0.009 1
1 1946 . 13 1 1 A 185 185 VAL CB C 808 32.178 31.734 0.444 1
1 1952 . 13 1 1 A 186 186 LEU N N 809 125.280 121.046 4.234 1
1 1953 . 13 1 1 A 186 186 LEU H H 809 8.195 7.610 0.585 1
1 1954 . 13 1 1 A 186 186 LEU CA C 809 54.474 54.798 -0.324 1
1 1955 . 13 1 1 A 186 186 LEU HA H 809 4.430 4.359 0.071 1
1 1956 . 13 1 1 A 186 186 LEU CB C 809 42.303 42.017 0.286 1
1 1968 . 13 1 1 A 187 187 VAL N N 810 120.937 116.361 4.576 1
1 1969 . 13 1 1 A 187 187 VAL H H 810 7.985 7.637 0.348 1
1 1970 . 13 1 1 A 187 187 VAL CA C 810 62.004 62.097 -0.093 1
1 1971 . 13 1 1 A 187 187 VAL HA H 810 4.155 4.108 0.047 1
1 1972 . 13 1 1 A 187 187 VAL CB C 810 32.602 32.268 0.334 1
1 1979 . 13 1 1 A 188 188 GLU N N 811 126.353 121.577 4.776 1
1 1980 . 13 1 1 A 188 188 GLU H H 811 8.292 8.018 0.274 1
1 1981 . 13 1 1 A 188 188 GLU CA C 811 54.162 57.173 -3.011 1
1 1982 . 13 1 1 A 188 188 GLU HA H 811 4.609 3.993 0.616 1
1 1983 . 13 1 1 A 188 188 GLU CB C 811 29.775 28.266 1.509 1
1 1 . 14 1 1 A 2 2 ALA CA C 625 52.969 53.694 -0.725 1
1 2 . 14 1 1 A 2 2 ALA HA H 625 4.493 4.010 0.483 1
1 3 . 14 1 1 A 2 2 ALA CB C 625 19.272 17.614 1.658 1
1 7 . 14 1 1 A 3 3 THR N N 626 113.570 102.420 11.150 1
1 8 . 14 1 1 A 3 3 THR H H 626 8.176 8.199 -0.023 1
1 9 . 14 1 1 A 3 3 THR CA C 626 61.314 65.504 -4.190 1
1 10 . 14 1 1 A 3 3 THR HA H 626 4.298 4.018 0.280 1
1 11 . 14 1 1 A 3 3 THR CB C 626 69.270 66.883 2.387 1
1 17 . 14 1 1 A 4 4 ILE N N 627 115.272 119.086 -3.814 1
1 18 . 14 1 1 A 4 4 ILE H H 627 7.549 8.554 -1.005 1
1 19 . 14 1 1 A 4 4 ILE CA C 627 58.731 61.638 -2.907 1
1 20 . 14 1 1 A 4 4 ILE HA H 627 4.258 4.554 -0.296 1
1 21 . 14 1 1 A 4 4 ILE CB C 627 42.246 36.891 5.355 1
1 34 . 14 1 1 A 5 5 CYS N N 628 124.095 125.710 -1.615 1
1 35 . 14 1 1 A 5 5 CYS H H 628 7.766 8.521 -0.755 1
1 36 . 14 1 1 A 5 5 CYS CA C 628 57.978 58.876 -0.898 1
1 37 . 14 1 1 A 5 5 CYS HA H 628 3.781 4.620 -0.839 1
1 38 . 14 1 1 A 5 5 CYS CB C 628 31.436 27.754 3.682 1
1 41 . 14 1 1 A 6 6 ARG N N 629 129.928 127.128 2.800 1
1 42 . 14 1 1 A 6 6 ARG H H 629 9.040 7.900 1.140 1
1 43 . 14 1 1 A 6 6 ARG CA C 629 57.514 59.497 -1.983 1
1 44 . 14 1 1 A 6 6 ARG HA H 629 3.900 3.799 0.101 1
1 45 . 14 1 1 A 6 6 ARG CB C 629 30.251 29.548 0.703 1
1 54 . 14 1 1 A 7 7 VAL N N 630 118.166 117.418 0.748 1
1 55 . 14 1 1 A 7 7 VAL H H 630 8.734 7.661 1.073 1
1 56 . 14 1 1 A 7 7 VAL CA C 630 65.770 65.235 0.535 1
1 57 . 14 1 1 A 7 7 VAL HA H 630 4.137 4.371 -0.234 1
1 58 . 14 1 1 A 7 7 VAL CB C 630 33.079 31.336 1.743 1
1 68 . 14 1 1 A 8 8 CYS N N 631 116.148 117.687 -1.539 1
1 69 . 14 1 1 A 8 8 CYS H H 631 8.143 7.846 0.297 1
1 70 . 14 1 1 A 8 8 CYS CA C 631 59.154 58.739 0.415 1
1 71 . 14 1 1 A 8 8 CYS HA H 631 5.105 4.462 0.643 1
1 72 . 14 1 1 A 8 8 CYS CB C 631 31.184 27.747 3.437 1
1 75 . 14 1 1 A 9 9 GLN N N 632 115.248 116.266 -1.018 1
1 76 . 14 1 1 A 9 9 GLN H H 632 8.132 9.047 -0.915 1
1 77 . 14 1 1 A 9 9 GLN CA C 632 57.404 56.881 0.523 1
1 78 . 14 1 1 A 9 9 GLN HA H 632 4.068 3.777 0.291 1
1 79 . 14 1 1 A 9 9 GLN CB C 632 26.002 26.136 -0.134 1
1 88 . 14 1 1 A 10 10 LYS N N 633 118.420 118.387 0.033 1
1 89 . 14 1 1 A 10 10 LYS H H 633 8.091 7.809 0.282 1
1 90 . 14 1 1 A 10 10 LYS CA C 633 53.835 52.989 0.846 1
1 91 . 14 1 1 A 10 10 LYS HA H 633 5.046 4.792 0.254 1
1 92 . 14 1 1 A 10 10 LYS CB C 633 33.312 33.610 -0.298 1
1 102 . 14 1 1 A 11 11 PRO CA C 634 62.136 62.795 -0.659 1
1 103 . 14 1 1 A 11 11 PRO HA H 634 5.056 4.820 0.236 1
1 104 . 14 1 1 A 11 11 PRO CB C 634 33.061 32.472 0.589 1
1 112 . 14 1 1 A 12 12 GLY N N 635 106.958 108.197 -1.239 1
1 113 . 14 1 1 A 12 12 GLY H H 635 8.475 7.994 0.481 1
1 114 . 14 1 1 A 12 12 GLY CA C 635 45.303 45.618 -0.315 1
1 115 . 14 1 1 A 12 12 GLY HA3 H 635 3.812 4.363 -0.551 1
1 116 . 14 1 1 A 12 12 GLY HA2 H 635 4.438 4.226 0.212 1
1 117 . 14 1 1 A 13 13 ASP N N 636 124.001 123.573 0.428 1
1 118 . 14 1 1 A 13 13 ASP H H 636 8.729 8.592 0.137 1
1 119 . 14 1 1 A 13 13 ASP CA C 636 54.239 52.791 1.448 1
1 120 . 14 1 1 A 13 13 ASP HA H 636 4.656 4.727 -0.071 1
1 121 . 14 1 1 A 13 13 ASP CB C 636 39.425 39.044 0.381 1
1 124 . 14 1 1 A 14 14 LEU N N 637 121.435 121.512 -0.077 1
1 125 . 14 1 1 A 14 14 LEU H H 637 7.849 7.583 0.266 1
1 126 . 14 1 1 A 14 14 LEU CA C 637 53.306 54.935 -1.629 1
1 127 . 14 1 1 A 14 14 LEU HA H 637 4.546 4.533 0.013 1
1 128 . 14 1 1 A 14 14 LEU CB C 637 44.117 42.267 1.850 1
1 141 . 14 1 1 A 15 15 VAL N N 638 118.100 124.256 -6.156 1
1 142 . 14 1 1 A 15 15 VAL H H 638 8.703 8.820 -0.117 1
1 143 . 14 1 1 A 15 15 VAL CA C 638 59.865 59.806 0.059 1
1 144 . 14 1 1 A 15 15 VAL HA H 638 4.383 4.482 -0.099 1
1 145 . 14 1 1 A 15 15 VAL CB C 638 33.305 33.799 -0.494 1
1 155 . 14 1 1 A 16 16 MET N N 639 125.271 124.206 1.065 1
1 156 . 14 1 1 A 16 16 MET H H 639 8.519 8.871 -0.352 1
1 157 . 14 1 1 A 16 16 MET CA C 639 54.122 54.850 -0.728 1
1 158 . 14 1 1 A 16 16 MET HA H 639 5.210 5.982 -0.772 1
1 159 . 14 1 1 A 16 16 MET CB C 639 36.310 35.945 0.365 1
1 169 . 14 1 1 A 17 17 CYS N N 640 129.455 124.907 4.548 1
1 170 . 14 1 1 A 17 17 CYS H H 640 9.139 8.752 0.387 1
1 171 . 14 1 1 A 17 17 CYS CA C 640 59.996 60.112 -0.116 1
1 172 . 14 1 1 A 17 17 CYS HA H 640 4.658 4.256 0.402 1
1 173 . 14 1 1 A 17 17 CYS CB C 640 31.238 29.273 1.965 1
1 176 . 14 1 1 A 18 18 ASN N N 641 128.271 127.758 0.513 1
1 177 . 14 1 1 A 18 18 ASN H H 641 8.914 9.241 -0.327 1
1 178 . 14 1 1 A 18 18 ASN CA C 641 55.658 54.957 0.701 1
1 179 . 14 1 1 A 18 18 ASN HA H 641 4.584 4.615 -0.031 1
1 180 . 14 1 1 A 18 18 ASN CB C 641 38.955 38.369 0.586 1
1 186 . 14 1 1 A 19 19 GLN N N 642 121.426 117.051 4.375 1
1 187 . 14 1 1 A 19 19 GLN H H 642 9.313 7.816 1.497 1
1 188 . 14 1 1 A 19 19 GLN CA C 642 57.971 56.676 1.295 1
1 189 . 14 1 1 A 19 19 GLN HA H 642 4.502 4.493 0.009 1
1 190 . 14 1 1 A 19 19 GLN CB C 642 30.466 30.977 -0.511 1
1 197 . 14 1 1 A 20 20 CYS N N 643 120.207 115.510 4.697 1
1 198 . 14 1 1 A 20 20 CYS H H 643 8.542 7.902 0.640 1
1 199 . 14 1 1 A 20 20 CYS CA C 643 59.473 58.421 1.052 1
1 200 . 14 1 1 A 20 20 CYS HA H 643 4.663 4.523 0.140 1
1 201 . 14 1 1 A 20 20 CYS CB C 643 31.889 27.972 3.917 1
1 204 . 14 1 1 A 21 21 GLU N N 644 114.113 117.421 -3.308 1
1 205 . 14 1 1 A 21 21 GLU H H 644 7.441 8.295 -0.854 1
1 206 . 14 1 1 A 21 21 GLU CA C 644 57.994 58.423 -0.429 1
1 207 . 14 1 1 A 21 21 GLU HA H 644 4.285 4.044 0.241 1
1 208 . 14 1 1 A 21 21 GLU CB C 644 26.843 27.884 -1.041 1
1 214 . 14 1 1 A 22 22 PHE N N 645 120.911 119.480 1.431 1
1 215 . 14 1 1 A 22 22 PHE H H 645 8.941 8.279 0.662 1
1 216 . 14 1 1 A 22 22 PHE CA C 645 57.356 58.614 -1.258 1
1 217 . 14 1 1 A 22 22 PHE HA H 645 4.777 4.499 0.278 1
1 218 . 14 1 1 A 22 22 PHE CB C 645 38.709 39.799 -1.090 1
1 226 . 14 1 1 A 23 23 CYS N N 646 115.830 119.174 -3.344 1
1 227 . 14 1 1 A 23 23 CYS H H 646 8.137 8.580 -0.443 1
1 228 . 14 1 1 A 23 23 CYS CA C 646 56.600 57.425 -0.825 1
1 229 . 14 1 1 A 23 23 CYS HA H 646 5.813 6.165 -0.352 1
1 230 . 14 1 1 A 23 23 CYS CB C 646 30.951 32.040 -1.089 1
1 233 . 14 1 1 A 24 24 PHE N N 647 116.053 120.449 -4.396 1
1 234 . 14 1 1 A 24 24 PHE H H 647 9.011 8.643 0.368 1
1 235 . 14 1 1 A 24 24 PHE CA C 647 56.827 56.893 -0.066 1
1 236 . 14 1 1 A 24 24 PHE HA H 647 5.910 4.881 1.029 1
1 237 . 14 1 1 A 24 24 PHE CB C 647 44.608 43.337 1.271 1
1 246 . 14 1 1 A 25 25 HIS N N 648 120.957 121.996 -1.039 1
1 247 . 14 1 1 A 25 25 HIS H H 648 8.427 9.183 -0.756 1
1 248 . 14 1 1 A 25 25 HIS CA C 648 58.971 56.852 2.119 1
1 249 . 14 1 1 A 25 25 HIS HA H 648 4.929 4.354 0.575 1
1 250 . 14 1 1 A 25 25 HIS CB C 648 31.178 29.783 1.395 1
1 257 . 14 1 1 A 26 26 LEU N N 649 123.176 117.165 6.011 1
1 258 . 14 1 1 A 26 26 LEU H H 649 9.369 8.050 1.319 1
1 259 . 14 1 1 A 26 26 LEU CA C 649 59.646 57.623 2.023 1
1 260 . 14 1 1 A 26 26 LEU HA H 649 3.829 3.774 0.055 1
1 261 . 14 1 1 A 26 26 LEU CB C 649 39.426 40.230 -0.804 1
1 274 . 14 1 1 A 27 27 ASP N N 650 109.058 118.424 -9.366 1
1 275 . 14 1 1 A 27 27 ASP H H 650 8.326 9.539 -1.213 1
1 276 . 14 1 1 A 27 27 ASP CA C 650 53.998 56.751 -2.753 1
1 277 . 14 1 1 A 27 27 ASP HA H 650 4.739 4.288 0.451 1
1 278 . 14 1 1 A 27 27 ASP CB C 650 40.331 40.394 -0.063 1
1 280 . 14 1 1 A 28 28 CYS N N 651 117.495 116.571 0.924 1
1 281 . 14 1 1 A 28 28 CYS H H 651 7.480 8.184 -0.704 1
1 282 . 14 1 1 A 28 28 CYS CA C 651 61.534 61.301 0.233 1
1 283 . 14 1 1 A 28 28 CYS HA H 651 4.245 4.506 -0.261 1
1 284 . 14 1 1 A 28 28 CYS CB C 651 31.646 28.065 3.581 1
1 286 . 14 1 1 A 29 29 HIS N N 652 116.384 121.790 -5.406 1
1 287 . 14 1 1 A 29 29 HIS H H 652 6.894 7.731 -0.837 1
1 288 . 14 1 1 A 29 29 HIS CA C 652 59.713 54.783 4.930 1
1 289 . 14 1 1 A 29 29 HIS HA H 652 3.644 4.677 -1.033 1
1 290 . 14 1 1 A 29 29 HIS CB C 652 27.909 28.695 -0.786 1
1 296 . 14 1 1 A 30 30 LEU N N 653 121.110 126.847 -5.737 1
1 297 . 14 1 1 A 30 30 LEU H H 653 4.525 8.645 -4.120 1
1 298 . 14 1 1 A 30 30 LEU CA C 653 51.439 58.423 -6.984 1
1 299 . 14 1 1 A 30 30 LEU HA H 653 4.515 3.430 1.085 1
1 300 . 14 1 1 A 30 30 LEU CB C 653 46.001 41.266 4.735 1
1 312 . 14 1 1 A 31 31 PRO CA C 654 62.964 63.409 -0.445 1
1 313 . 14 1 1 A 31 31 PRO HA H 654 4.471 4.382 0.089 1
1 314 . 14 1 1 A 31 31 PRO CB C 654 34.045 32.484 1.561 1
1 322 . 14 1 1 A 32 32 ALA N N 655 125.871 119.770 6.101 1
1 323 . 14 1 1 A 32 32 ALA H H 655 8.766 8.011 0.755 1
1 324 . 14 1 1 A 32 32 ALA CA C 655 52.771 52.892 -0.121 1
1 325 . 14 1 1 A 32 32 ALA HA H 655 4.349 4.788 -0.439 1
1 326 . 14 1 1 A 32 32 ALA CB C 655 18.177 18.164 0.013 1
1 330 . 14 1 1 A 33 33 LEU N N 656 123.348 122.564 0.784 1
1 331 . 14 1 1 A 33 33 LEU H H 656 8.230 8.909 -0.679 1
1 332 . 14 1 1 A 33 33 LEU CA C 656 54.014 54.960 -0.946 1
1 333 . 14 1 1 A 33 33 LEU HA H 656 4.445 4.491 -0.046 1
1 334 . 14 1 1 A 33 33 LEU CB C 656 43.197 43.230 -0.033 1
1 347 . 14 1 1 A 34 34 GLN N N 657 119.992 119.696 0.296 1
1 348 . 14 1 1 A 34 34 GLN H H 657 8.679 8.748 -0.069 1
1 349 . 14 1 1 A 34 34 GLN CA C 657 56.354 56.371 -0.017 1
1 350 . 14 1 1 A 34 34 GLN HA H 657 4.159 4.680 -0.521 1
1 351 . 14 1 1 A 34 34 GLN CB C 657 29.555 31.548 -1.993 1
1 359 . 14 1 1 A 35 35 ASP N N 658 115.420 114.047 1.373 1
1 360 . 14 1 1 A 35 35 ASP H H 658 7.457 7.639 -0.182 1
1 361 . 14 1 1 A 35 35 ASP CA C 658 51.696 53.920 -2.224 1
1 362 . 14 1 1 A 35 35 ASP HA H 658 4.626 4.747 -0.121 1
1 363 . 14 1 1 A 35 35 ASP CB C 658 43.431 43.128 0.303 1
1 366 . 14 1 1 A 36 36 VAL N N 659 122.099 123.892 -1.793 1
1 367 . 14 1 1 A 36 36 VAL H H 659 8.624 8.523 0.101 1
1 368 . 14 1 1 A 36 36 VAL CA C 659 60.994 61.670 -0.676 1
1 369 . 14 1 1 A 36 36 VAL HA H 659 3.752 3.662 0.090 1
1 370 . 14 1 1 A 36 36 VAL CB C 659 32.087 31.578 0.509 1
1 380 . 14 1 1 A 37 37 PRO CA C 660 62.728 63.564 -0.836 1
1 381 . 14 1 1 A 37 37 PRO HA H 660 4.454 4.526 -0.072 1
1 382 . 14 1 1 A 37 37 PRO CB C 660 32.835 31.666 1.169 1
1 391 . 14 1 1 A 38 38 GLY N N 661 106.940 109.437 -2.497 1
1 392 . 14 1 1 A 38 38 GLY H H 661 8.189 8.334 -0.145 1
1 393 . 14 1 1 A 38 38 GLY CA C 661 44.397 46.788 -2.391 1
1 394 . 14 1 1 A 38 38 GLY HA3 H 661 3.969 3.962 0.007 1
1 395 . 14 1 1 A 38 38 GLY HA2 H 661 4.190 3.941 0.249 1
1 396 . 14 1 1 A 39 39 GLU N N 662 117.365 120.357 -2.992 1
1 397 . 14 1 1 A 39 39 GLU H H 662 8.281 8.752 -0.471 1
1 398 . 14 1 1 A 39 39 GLU CA C 662 57.520 59.010 -1.490 1
1 399 . 14 1 1 A 39 39 GLU HA H 662 4.281 4.126 0.155 1
1 400 . 14 1 1 A 39 39 GLU CB C 662 30.013 29.294 0.719 1
1 405 . 14 1 1 A 40 40 GLU N N 663 117.986 117.384 0.602 1
1 406 . 14 1 1 A 40 40 GLU H H 663 8.697 8.150 0.547 1
1 407 . 14 1 1 A 40 40 GLU CA C 663 56.389 55.710 0.679 1
1 408 . 14 1 1 A 40 40 GLU HA H 663 4.293 4.612 -0.319 1
1 409 . 14 1 1 A 40 40 GLU CB C 663 28.787 30.770 -1.983 1
1 414 . 14 1 1 A 41 41 TRP N N 664 124.391 124.719 -0.328 1
1 415 . 14 1 1 A 41 41 TRP H H 664 7.967 7.561 0.406 1
1 416 . 14 1 1 A 41 41 TRP CA C 664 59.934 58.263 1.671 1
1 417 . 14 1 1 A 41 41 TRP HA H 664 4.312 4.793 -0.481 1
1 418 . 14 1 1 A 41 41 TRP CB C 664 29.998 30.218 -0.220 1
1 432 . 14 1 1 A 42 42 SER N N 665 120.355 115.374 4.981 1
1 433 . 14 1 1 A 42 42 SER H H 665 6.873 7.702 -0.829 1
1 434 . 14 1 1 A 42 42 SER CA C 665 55.166 57.180 -2.014 1
1 435 . 14 1 1 A 42 42 SER HA H 665 5.259 4.975 0.284 1
1 436 . 14 1 1 A 42 42 SER CB C 665 65.990 64.999 0.991 1
1 439 . 14 1 1 A 43 43 CYS N N 666 125.642 122.080 3.562 1
1 440 . 14 1 1 A 43 43 CYS H H 666 9.271 8.036 1.235 1
1 441 . 14 1 1 A 43 43 CYS CA C 666 57.325 59.153 -1.828 1
1 442 . 14 1 1 A 43 43 CYS HA H 666 3.952 2.626 1.326 1
1 443 . 14 1 1 A 43 43 CYS CB C 666 34.022 27.362 6.660 1
1 446 . 14 1 1 A 44 44 SER N N 667 117.158 118.361 -1.203 1
1 447 . 14 1 1 A 44 44 SER H H 667 7.068 8.395 -1.327 1
1 448 . 14 1 1 A 44 44 SER CA C 667 61.353 62.240 -0.887 1
1 449 . 14 1 1 A 44 44 SER HA H 667 4.225 4.022 0.203 1
1 450 . 14 1 1 A 44 44 SER CB C 667 63.693 62.992 0.701 1
1 453 . 14 1 1 A 45 45 LEU N N 668 120.667 120.952 -0.285 1
1 454 . 14 1 1 A 45 45 LEU H H 668 8.965 7.741 1.224 1
1 455 . 14 1 1 A 45 45 LEU CA C 668 57.416 56.136 1.280 1
1 456 . 14 1 1 A 45 45 LEU HA H 668 4.178 4.231 -0.053 1
1 457 . 14 1 1 A 45 45 LEU CB C 668 40.611 41.550 -0.939 1
1 470 . 14 1 1 A 46 46 CYS N N 669 121.872 115.955 5.917 1
1 471 . 14 1 1 A 46 46 CYS H H 669 7.816 8.435 -0.619 1
1 472 . 14 1 1 A 46 46 CYS CA C 669 62.557 59.485 3.072 1
1 473 . 14 1 1 A 46 46 CYS HA H 669 3.969 4.317 -0.348 1
1 474 . 14 1 1 A 46 46 CYS CB C 669 30.467 30.426 0.041 1
1 477 . 14 1 1 A 47 47 HIS N N 670 119.396 120.208 -0.812 1
1 478 . 14 1 1 A 47 47 HIS H H 670 8.077 7.479 0.598 1
1 479 . 14 1 1 A 47 47 HIS CA C 670 55.625 54.593 1.032 1
1 480 . 14 1 1 A 47 47 HIS HA H 670 4.429 4.630 -0.201 1
1 481 . 14 1 1 A 47 47 HIS CB C 670 30.326 30.037 0.289 1
1 488 . 14 1 1 A 48 48 VAL N N 671 123.528 124.763 -1.235 1
1 489 . 14 1 1 A 48 48 VAL H H 671 7.978 7.867 0.111 1
1 490 . 14 1 1 A 48 48 VAL CA C 671 62.120 65.167 -3.047 1
1 491 . 14 1 1 A 48 48 VAL HA H 671 3.925 3.848 0.077 1
1 492 . 14 1 1 A 48 48 VAL CB C 671 32.396 32.337 0.059 1
1 502 . 14 1 1 A 49 49 LEU N N 672 126.622 120.198 6.424 1
1 503 . 14 1 1 A 49 49 LEU H H 672 8.139 7.939 0.200 1
1 504 . 14 1 1 A 49 49 LEU CA C 672 52.859 51.143 1.716 1
1 505 . 14 1 1 A 49 49 LEU HA H 672 4.475 4.855 -0.380 1
1 506 . 14 1 1 A 49 49 LEU CB C 672 41.536 44.878 -3.342 1
1 518 . 14 1 1 A 50 50 PRO CA C 673 62.715 62.767 -0.052 1
1 519 . 14 1 1 A 50 50 PRO HA H 673 4.386 5.046 -0.660 1
1 520 . 14 1 1 A 50 50 PRO CB C 673 32.093 31.613 0.480 1
1 528 . 14 1 1 A 51 51 ASP N N 674 120.540 124.016 -3.476 1
1 529 . 14 1 1 A 51 51 ASP H H 674 8.307 8.689 -0.382 1
1 530 . 14 1 1 A 51 51 ASP CA C 674 54.202 54.008 0.194 1
1 531 . 14 1 1 A 51 51 ASP HA H 674 4.564 4.596 -0.032 1
1 532 . 14 1 1 A 51 51 ASP CB C 674 41.030 40.430 0.600 1
1 535 . 14 1 1 A 52 52 LEU N N 675 122.987 123.008 -0.021 1
1 536 . 14 1 1 A 52 52 LEU H H 675 8.053 7.539 0.514 1
1 537 . 14 1 1 A 52 52 LEU CA C 675 54.945 55.892 -0.947 1
1 538 . 14 1 1 A 52 52 LEU HA H 675 4.364 4.178 0.186 1
1 539 . 14 1 1 A 52 52 LEU CB C 675 42.436 42.197 0.239 1
1 551 . 14 1 1 A 53 53 LYS N N 676 122.061 125.949 -3.888 1
1 552 . 14 1 1 A 53 53 LYS H H 676 8.340 8.632 -0.292 1
1 553 . 14 1 1 A 53 53 LYS CA C 676 56.060 58.000 -1.940 1
1 554 . 14 1 1 A 53 53 LYS HA H 676 4.331 4.048 0.283 1
1 555 . 14 1 1 A 53 53 LYS CB C 676 32.363 32.136 0.227 1
1 564 . 14 1 1 A 54 54 GLU N N 677 121.909 117.775 4.134 1
1 565 . 14 1 1 A 54 54 GLU H H 677 8.403 8.084 0.319 1
1 566 . 14 1 1 A 54 54 GLU CA C 677 56.586 58.300 -1.714 1
1 567 . 14 1 1 A 54 54 GLU HA H 677 4.312 4.033 0.279 1
1 568 . 14 1 1 A 54 54 GLU CB C 677 30.221 28.079 2.142 1
1 573 . 14 1 1 A 55 55 GLU N N 678 121.528 124.071 -2.543 1
1 574 . 14 1 1 A 55 55 GLU H H 678 8.486 8.876 -0.390 1
1 575 . 14 1 1 A 55 55 GLU CA C 678 56.368 56.334 0.034 1
1 576 . 14 1 1 A 55 55 GLU HA H 678 4.315 4.366 -0.051 1
1 577 . 14 1 1 A 55 55 GLU CB C 678 28.896 29.519 -0.623 1
1 582 . 14 1 1 A 56 56 ASP N N 679 121.530 119.885 1.645 1
1 583 . 14 1 1 A 56 56 ASP H H 679 8.322 8.291 0.031 1
1 584 . 14 1 1 A 56 56 ASP CA C 679 54.252 54.977 -0.725 1
1 585 . 14 1 1 A 56 56 ASP HA H 679 4.680 4.583 0.097 1
1 586 . 14 1 1 A 56 56 ASP CB C 679 41.146 40.518 0.628 1
1 588 . 14 1 1 A 57 57 GLY N N 680 109.997 110.953 -0.956 1
1 589 . 14 1 1 A 57 57 GLY H H 680 8.412 8.701 -0.289 1
1 590 . 14 1 1 A 57 57 GLY CA C 680 45.247 45.847 -0.600 1
1 591 . 14 1 1 A 57 57 GLY HA2 H 680 4.020 3.943 0.077 1
1 592 . 14 1 1 A 58 58 SER N N 681 115.994 113.973 2.021 1
1 593 . 14 1 1 A 58 58 SER H H 681 8.280 8.048 0.232 1
1 594 . 14 1 1 A 58 58 SER CA C 681 58.239 58.325 -0.086 1
1 595 . 14 1 1 A 58 58 SER HA H 681 3.996 4.665 -0.669 1
1 596 . 14 1 1 A 58 58 SER CB C 681 63.789 65.326 -1.537 1
1 598 . 14 1 1 A 59 59 LEU N N 682 123.362 120.908 2.454 1
1 599 . 14 1 1 A 59 59 LEU H H 682 8.164 7.604 0.560 1
1 600 . 14 1 1 A 59 59 LEU CA C 682 55.160 54.045 1.115 1
1 601 . 14 1 1 A 59 59 LEU HA H 682 4.427 4.856 -0.429 1
1 602 . 14 1 1 A 59 59 LEU CB C 682 42.473 45.235 -2.762 1
1 614 . 14 1 1 A 60 60 SER N N 683 116.385 118.927 -2.542 1
1 615 . 14 1 1 A 60 60 SER H H 683 8.226 8.796 -0.570 1
1 616 . 14 1 1 A 60 60 SER CA C 683 58.004 58.557 -0.553 1
1 617 . 14 1 1 A 60 60 SER HA H 683 4.517 4.667 -0.150 1
1 618 . 14 1 1 A 60 60 SER CB C 683 63.651 64.854 -1.203 1
1 620 . 14 1 1 A 61 61 LEU N N 684 124.466 120.789 3.677 1
1 621 . 14 1 1 A 61 61 LEU H H 684 8.303 7.783 0.520 1
1 622 . 14 1 1 A 61 61 LEU CA C 684 54.959 55.975 -1.016 1
1 623 . 14 1 1 A 61 61 LEU HA H 684 4.412 4.841 -0.429 1
1 624 . 14 1 1 A 61 61 LEU CB C 684 41.713 44.518 -2.805 1
1 635 . 14 1 1 A 62 62 ASP N N 685 120.536 120.976 -0.440 1
1 636 . 14 1 1 A 62 62 ASP H H 685 8.267 7.910 0.357 1
1 637 . 14 1 1 A 62 62 ASP CA C 685 54.276 56.003 -1.727 1
1 638 . 14 1 1 A 62 62 ASP HA H 685 4.680 4.281 0.399 1
1 639 . 14 1 1 A 62 62 ASP CB C 685 41.125 40.629 0.496 1
1 642 . 14 1 1 A 63 63 GLY N N 686 109.373 114.406 -5.033 1
1 643 . 14 1 1 A 63 63 GLY H H 686 8.277 8.606 -0.329 1
1 644 . 14 1 1 A 63 63 GLY CA C 686 45.297 44.558 0.739 1
1 645 . 14 1 1 A 63 63 GLY HA2 H 686 3.992 4.119 -0.127 1
1 646 . 14 1 1 A 64 64 ALA N N 687 123.584 123.269 0.315 1
1 647 . 14 1 1 A 64 64 ALA H H 687 8.129 8.581 -0.452 1
1 648 . 14 1 1 A 64 64 ALA CA C 687 52.637 55.212 -2.575 1
1 649 . 14 1 1 A 64 64 ALA HA H 687 4.379 4.074 0.305 1
1 650 . 14 1 1 A 64 64 ALA CB C 687 19.122 18.974 0.148 1
1 654 . 14 1 1 A 65 65 ASP N N 688 118.924 117.455 1.469 1
1 655 . 14 1 1 A 65 65 ASP H H 688 8.326 7.904 0.422 1
1 656 . 14 1 1 A 65 65 ASP CA C 688 53.972 54.256 -0.284 1
1 657 . 14 1 1 A 65 65 ASP HA H 688 4.682 4.518 0.164 1
1 658 . 14 1 1 A 65 65 ASP CB C 688 41.061 40.962 0.099 1
1 660 . 14 1 1 A 66 66 SER N N 689 116.036 123.283 -7.247 1
1 661 . 14 1 1 A 66 66 SER H H 689 8.285 8.824 -0.539 1
1 662 . 14 1 1 A 66 66 SER CA C 689 58.352 59.314 -0.962 1
1 663 . 14 1 1 A 66 66 SER HA H 689 4.443 4.641 -0.198 1
1 664 . 14 1 1 A 66 66 SER CB C 689 63.665 64.401 -0.736 1
1 666 . 14 1 1 A 67 67 THR N N 690 115.059 113.903 1.156 1
1 667 . 14 1 1 A 67 67 THR H H 690 8.253 8.025 0.228 1
1 668 . 14 1 1 A 67 67 THR CA C 690 62.556 62.088 0.468 1
1 669 . 14 1 1 A 67 67 THR HA H 690 4.379 4.450 -0.071 1
1 670 . 14 1 1 A 67 67 THR CB C 690 69.623 69.640 -0.017 1
1 676 . 14 1 1 A 68 68 GLY N N 691 111.091 107.335 3.756 1
1 677 . 14 1 1 A 68 68 GLY H H 691 8.366 7.678 0.688 1
1 678 . 14 1 1 A 68 68 GLY CA C 691 45.297 45.383 -0.086 1
1 679 . 14 1 1 A 68 68 GLY HA2 H 691 4.002 4.045 -0.043 1
1 680 . 14 1 1 A 69 69 VAL N N 692 119.280 119.797 -0.517 1
1 681 . 14 1 1 A 69 69 VAL H H 692 7.876 8.123 -0.247 1
1 682 . 14 1 1 A 69 69 VAL CA C 692 62.068 63.099 -1.031 1
1 683 . 14 1 1 A 69 69 VAL HA H 692 4.176 3.777 0.399 1
1 684 . 14 1 1 A 69 69 VAL CB C 692 32.322 30.274 2.048 1
1 690 . 14 1 1 A 70 70 VAL N N 693 123.601 128.662 -5.061 1
1 691 . 14 1 1 A 70 70 VAL H H 693 8.102 8.355 -0.253 1
1 692 . 14 1 1 A 70 70 VAL CA C 693 61.886 62.792 -0.906 1
1 693 . 14 1 1 A 70 70 VAL HA H 693 4.150 4.363 -0.213 1
1 694 . 14 1 1 A 70 70 VAL CB C 693 32.429 34.389 -1.960 1
1 700 . 14 1 1 A 71 71 ALA N N 694 129.048 123.456 5.592 1
1 701 . 14 1 1 A 71 71 ALA H H 694 8.374 8.009 0.365 1
1 702 . 14 1 1 A 71 71 ALA CA C 694 52.125 53.162 -1.037 1
1 703 . 14 1 1 A 71 71 ALA HA H 694 4.454 4.019 0.435 1
1 704 . 14 1 1 A 71 71 ALA CB C 694 19.203 17.451 1.752 1
1 708 . 14 1 1 A 72 72 LYS N N 695 118.535 118.136 0.399 1
1 709 . 14 1 1 A 72 72 LYS H H 695 7.833 7.836 -0.003 1
1 710 . 14 1 1 A 72 72 LYS CA C 695 54.556 59.464 -4.908 1
1 711 . 14 1 1 A 72 72 LYS HA H 695 4.827 4.292 0.535 1
1 712 . 14 1 1 A 72 72 LYS CB C 695 35.245 32.408 2.837 1
1 722 . 14 1 1 A 73 73 LEU N N 696 121.834 120.837 0.997 1
1 723 . 14 1 1 A 73 73 LEU H H 696 8.772 7.845 0.927 1
1 724 . 14 1 1 A 73 73 LEU CA C 696 54.973 56.252 -1.279 1
1 725 . 14 1 1 A 73 73 LEU HA H 696 4.268 4.226 0.042 1
1 726 . 14 1 1 A 73 73 LEU CB C 696 42.467 43.400 -0.933 1
1 739 . 14 1 1 A 74 74 SER N N 697 121.120 111.398 9.722 1
1 740 . 14 1 1 A 74 74 SER H H 697 8.890 8.042 0.848 1
1 741 . 14 1 1 A 74 74 SER CA C 697 56.165 57.737 -1.572 1
1 742 . 14 1 1 A 74 74 SER HA H 697 4.710 4.606 0.104 1
1 743 . 14 1 1 A 74 74 SER CB C 697 62.177 65.356 -3.179 1
1 745 . 14 1 1 A 75 75 PRO CA C 698 66.251 65.338 0.913 1
1 746 . 14 1 1 A 75 75 PRO HA H 698 4.350 4.270 0.080 1
1 747 . 14 1 1 A 75 75 PRO CB C 698 31.661 31.833 -0.172 1
1 755 . 14 1 1 A 76 76 ALA N N 699 117.914 119.051 -1.137 1
1 756 . 14 1 1 A 76 76 ALA H H 699 8.458 8.083 0.375 1
1 757 . 14 1 1 A 76 76 ALA CA C 699 55.000 55.030 -0.030 1
1 758 . 14 1 1 A 76 76 ALA HA H 699 4.132 4.100 0.032 1
1 759 . 14 1 1 A 76 76 ALA CB C 699 18.785 18.743 0.042 1
1 763 . 14 1 1 A 77 77 ASN N N 700 116.945 116.666 0.279 1
1 764 . 14 1 1 A 77 77 ASN H H 700 7.760 8.517 -0.757 1
1 765 . 14 1 1 A 77 77 ASN CA C 700 55.210 55.271 -0.061 1
1 766 . 14 1 1 A 77 77 ASN HA H 700 4.763 4.494 0.269 1
1 767 . 14 1 1 A 77 77 ASN CB C 700 38.005 38.398 -0.393 1
1 770 . 14 1 1 A 78 78 GLN N N 701 124.719 120.512 4.207 1
1 771 . 14 1 1 A 78 78 GLN H H 701 9.480 8.610 0.870 1
1 772 . 14 1 1 A 78 78 GLN CA C 701 59.634 59.292 0.342 1
1 773 . 14 1 1 A 78 78 GLN HA H 701 3.673 3.996 -0.323 1
1 774 . 14 1 1 A 78 78 GLN CB C 701 27.114 28.599 -1.485 1
1 782 . 14 1 1 A 79 79 ARG N N 702 117.069 119.312 -2.243 1
1 783 . 14 1 1 A 79 79 ARG H H 702 7.654 7.659 -0.005 1
1 784 . 14 1 1 A 79 79 ARG CA C 702 57.561 59.515 -1.954 1
1 785 . 14 1 1 A 79 79 ARG HA H 702 4.487 3.990 0.497 1
1 786 . 14 1 1 A 79 79 ARG CB C 702 29.680 30.017 -0.337 1
1 794 . 14 1 1 A 80 80 LYS N N 703 119.251 118.516 0.735 1
1 795 . 14 1 1 A 80 80 LYS H H 703 7.636 8.500 -0.864 1
1 796 . 14 1 1 A 80 80 LYS CA C 703 60.735 59.803 0.932 1
1 797 . 14 1 1 A 80 80 LYS HA H 703 3.702 4.022 -0.320 1
1 798 . 14 1 1 A 80 80 LYS CB C 703 34.002 32.623 1.379 1
1 808 . 14 1 1 A 81 81 CYS N N 704 115.848 117.375 -1.527 1
1 809 . 14 1 1 A 81 81 CYS H H 704 8.031 8.621 -0.590 1
1 810 . 14 1 1 A 81 81 CYS CA C 704 64.823 62.488 2.335 1
1 811 . 14 1 1 A 81 81 CYS HA H 704 3.687 3.531 0.156 1
1 812 . 14 1 1 A 81 81 CYS CB C 704 26.491 26.321 0.170 1
1 815 . 14 1 1 A 82 82 GLU N N 705 118.931 119.925 -0.994 1
1 816 . 14 1 1 A 82 82 GLU H H 705 8.286 8.606 -0.320 1
1 817 . 14 1 1 A 82 82 GLU CA C 705 59.887 59.750 0.137 1
1 818 . 14 1 1 A 82 82 GLU HA H 705 3.589 4.247 -0.658 1
1 819 . 14 1 1 A 82 82 GLU CB C 705 29.067 29.210 -0.143 1
1 825 . 14 1 1 A 83 83 ARG N N 706 119.029 120.491 -1.462 1
1 826 . 14 1 1 A 83 83 ARG H H 706 7.931 7.972 -0.041 1
1 827 . 14 1 1 A 83 83 ARG CA C 706 60.133 58.672 1.461 1
1 828 . 14 1 1 A 83 83 ARG HA H 706 3.748 4.232 -0.484 1
1 829 . 14 1 1 A 83 83 ARG CB C 706 30.197 29.826 0.371 1
1 838 . 14 1 1 A 84 84 VAL N N 707 119.247 117.901 1.346 1
1 839 . 14 1 1 A 84 84 VAL H H 707 7.762 7.800 -0.038 1
1 840 . 14 1 1 A 84 84 VAL CA C 707 67.133 65.532 1.601 1
1 841 . 14 1 1 A 84 84 VAL HA H 707 3.562 3.895 -0.333 1
1 842 . 14 1 1 A 84 84 VAL CB C 707 31.857 31.504 0.353 1
1 852 . 14 1 1 A 85 85 LEU N N 708 119.414 125.459 -6.045 1
1 853 . 14 1 1 A 85 85 LEU H H 708 8.844 8.880 -0.036 1
1 854 . 14 1 1 A 85 85 LEU CA C 708 57.561 58.777 -1.216 1
1 855 . 14 1 1 A 85 85 LEU HA H 708 4.366 4.438 -0.072 1
1 856 . 14 1 1 A 85 85 LEU CB C 708 41.320 42.255 -0.935 1
1 869 . 14 1 1 A 86 86 LEU N N 709 120.156 120.055 0.101 1
1 870 . 14 1 1 A 86 86 LEU H H 709 9.044 8.441 0.603 1
1 871 . 14 1 1 A 86 86 LEU CA C 709 57.977 58.561 -0.584 1
1 872 . 14 1 1 A 86 86 LEU HA H 709 4.382 4.086 0.296 1
1 873 . 14 1 1 A 86 86 LEU CB C 709 41.069 42.177 -1.108 1
1 886 . 14 1 1 A 87 87 ALA N N 710 121.264 120.270 0.994 1
1 887 . 14 1 1 A 87 87 ALA H H 710 8.136 8.889 -0.753 1
1 888 . 14 1 1 A 87 87 ALA CA C 710 55.439 55.870 -0.431 1
1 889 . 14 1 1 A 87 87 ALA HA H 710 4.217 4.347 -0.130 1
1 890 . 14 1 1 A 87 87 ALA CB C 710 17.525 18.902 -1.377 1
1 894 . 14 1 1 A 88 88 LEU N N 711 117.148 118.409 -1.261 1
1 895 . 14 1 1 A 88 88 LEU H H 711 8.158 9.056 -0.898 1
1 896 . 14 1 1 A 88 88 LEU CA C 711 58.688 57.718 0.970 1
1 897 . 14 1 1 A 88 88 LEU HA H 711 4.401 3.153 1.248 1
1 898 . 14 1 1 A 88 88 LEU CB C 711 41.534 42.185 -0.651 1
1 911 . 14 1 1 A 89 89 PHE N N 712 117.048 117.385 -0.337 1
1 912 . 14 1 1 A 89 89 PHE H H 712 8.536 9.057 -0.521 1
1 913 . 14 1 1 A 89 89 PHE CA C 712 62.732 60.965 1.767 1
1 914 . 14 1 1 A 89 89 PHE HA H 712 3.971 4.429 -0.458 1
1 915 . 14 1 1 A 89 89 PHE CB C 712 40.351 38.790 1.561 1
1 922 . 14 1 1 A 90 90 CYS N N 713 111.682 118.074 -6.392 1
1 923 . 14 1 1 A 90 90 CYS H H 713 7.689 8.926 -1.237 1
1 924 . 14 1 1 A 90 90 CYS CA C 713 60.573 63.037 -2.464 1
1 925 . 14 1 1 A 90 90 CYS HA H 713 4.614 4.074 0.540 1
1 926 . 14 1 1 A 90 90 CYS CB C 713 28.820 27.177 1.643 1
1 929 . 14 1 1 A 91 91 HIS N N 714 123.036 116.403 6.633 1
1 930 . 14 1 1 A 91 91 HIS H H 714 7.517 7.905 -0.388 1
1 931 . 14 1 1 A 91 91 HIS CA C 714 54.945 55.019 -0.074 1
1 932 . 14 1 1 A 91 91 HIS HA H 714 4.939 4.581 0.358 1
1 933 . 14 1 1 A 91 91 HIS CB C 714 31.433 31.465 -0.032 1
1 940 . 14 1 1 A 92 92 GLU CA C 715 61.506 60.419 1.087 1
1 941 . 14 1 1 A 92 92 GLU HA H 715 4.052 4.018 0.034 1
1 942 . 14 1 1 A 92 92 GLU CB C 715 26.765 29.878 -3.113 1
1 947 . 14 1 1 A 93 93 PRO CA C 716 65.272 66.597 -1.325 1
1 948 . 14 1 1 A 93 93 PRO HA H 716 4.294 4.814 -0.520 1
1 949 . 14 1 1 A 93 93 PRO CB C 716 31.486 31.009 0.477 1
1 958 . 14 1 1 A 94 94 CYS N N 717 110.309 115.627 -5.318 1
1 959 . 14 1 1 A 94 94 CYS H H 717 7.667 8.588 -0.921 1
1 960 . 14 1 1 A 94 94 CYS CA C 717 58.484 62.401 -3.917 1
1 961 . 14 1 1 A 94 94 CYS HA H 717 4.406 4.111 0.295 1
1 962 . 14 1 1 A 94 94 CYS CB C 717 28.612 27.382 1.230 1
1 965 . 14 1 1 A 95 95 ARG N N 718 122.655 120.456 2.199 1
1 966 . 14 1 1 A 95 95 ARG H H 718 7.928 8.274 -0.346 1
1 967 . 14 1 1 A 95 95 ARG CA C 718 60.829 60.422 0.407 1
1 968 . 14 1 1 A 95 95 ARG HA H 718 3.740 2.939 0.801 1
1 969 . 14 1 1 A 95 95 ARG CB C 718 28.131 29.198 -1.067 1
1 977 . 14 1 1 A 96 96 PRO CA C 719 65.328 66.108 -0.780 1
1 978 . 14 1 1 A 96 96 PRO HA H 719 4.456 4.227 0.229 1
1 979 . 14 1 1 A 96 96 PRO CB C 719 31.665 30.619 1.046 1
1 987 . 14 1 1 A 97 97 LEU N N 720 112.429 116.717 -4.288 1
1 988 . 14 1 1 A 97 97 LEU H H 720 7.720 6.958 0.762 1
1 989 . 14 1 1 A 97 97 LEU CA C 720 54.707 57.425 -2.718 1
1 990 . 14 1 1 A 97 97 LEU HA H 720 4.228 3.715 0.513 1
1 991 . 14 1 1 A 97 97 LEU CB C 720 40.391 41.235 -0.844 1
1 1004 . 14 1 1 A 98 98 HIS N N 721 118.891 116.720 2.171 1
1 1005 . 14 1 1 A 98 98 HIS H H 721 7.964 8.575 -0.611 1
1 1006 . 14 1 1 A 98 98 HIS CA C 721 60.901 58.111 2.790 1
1 1007 . 14 1 1 A 98 98 HIS HA H 721 4.190 3.969 0.221 1
1 1008 . 14 1 1 A 98 98 HIS CB C 721 31.678 29.442 2.236 1
1 1015 . 14 1 1 A 99 99 GLN N N 722 116.787 116.154 0.633 1
1 1016 . 14 1 1 A 99 99 GLN H H 722 8.090 7.710 0.380 1
1 1017 . 14 1 1 A 99 99 GLN CA C 722 55.180 54.760 0.420 1
1 1018 . 14 1 1 A 99 99 GLN HA H 722 4.808 4.514 0.294 1
1 1019 . 14 1 1 A 99 99 GLN CB C 722 30.690 29.715 0.975 1
1 1024 . 14 1 1 A 100 100 LEU H H 723 9.277 8.639 0.638 1
1 1025 . 14 1 1 A 100 100 LEU CA C 723 55.397 55.570 -0.173 1
1 1026 . 14 1 1 A 100 100 LEU HA H 723 4.566 4.461 0.105 1
1 1027 . 14 1 1 A 100 100 LEU CB C 723 43.862 43.449 0.413 1
1 1040 . 14 1 1 A 101 101 ALA N N 724 123.211 121.376 1.835 1
1 1041 . 14 1 1 A 101 101 ALA H H 724 8.577 7.638 0.939 1
1 1042 . 14 1 1 A 101 101 ALA CA C 724 52.591 51.521 1.070 1
1 1043 . 14 1 1 A 101 101 ALA HA H 724 4.392 4.391 0.001 1
1 1044 . 14 1 1 A 101 101 ALA CB C 724 19.262 20.024 -0.762 1
1 1048 . 14 1 1 A 102 102 THR N N 725 112.189 109.947 2.242 1
1 1049 . 14 1 1 A 102 102 THR H H 725 8.069 8.357 -0.288 1
1 1050 . 14 1 1 A 102 102 THR CA C 725 61.802 60.699 1.103 1
1 1051 . 14 1 1 A 102 102 THR HA H 725 4.366 4.724 -0.358 1
1 1052 . 14 1 1 A 102 102 THR CB C 725 69.684 69.256 0.428 1
1 1058 . 14 1 1 A 103 103 ASP N N 726 121.846 123.162 -1.316 1
1 1059 . 14 1 1 A 103 103 ASP H H 726 8.195 8.084 0.111 1
1 1060 . 14 1 1 A 103 103 ASP CA C 726 54.057 54.673 -0.616 1
1 1061 . 14 1 1 A 103 103 ASP HA H 726 4.681 4.425 0.256 1
1 1062 . 14 1 1 A 103 103 ASP CB C 726 41.228 39.314 1.914 1
1 1064 . 14 1 1 A 104 104 SER N N 727 116.230 115.873 0.357 1
1 1065 . 14 1 1 A 104 104 SER H H 727 8.260 8.439 -0.179 1
1 1066 . 14 1 1 A 104 104 SER CA C 727 58.945 57.355 1.590 1
1 1067 . 14 1 1 A 104 104 SER HA H 727 4.468 4.826 -0.358 1
1 1068 . 14 1 1 A 104 104 SER CB C 727 63.856 65.000 -1.144 1
1 1070 . 14 1 1 A 105 105 THR N N 728 115.362 114.335 1.027 1
1 1071 . 14 1 1 A 105 105 THR H H 728 8.205 7.910 0.295 1
1 1072 . 14 1 1 A 105 105 THR CA C 728 62.744 63.538 -0.794 1
1 1073 . 14 1 1 A 105 105 THR HA H 728 4.238 4.488 -0.250 1
1 1074 . 14 1 1 A 105 105 THR CB C 728 69.490 70.686 -1.196 1
1 1080 . 14 1 1 A 106 106 PHE N N 729 121.735 121.171 0.564 1
1 1081 . 14 1 1 A 106 106 PHE H H 729 8.047 8.429 -0.382 1
1 1082 . 14 1 1 A 106 106 PHE CA C 729 57.966 61.461 -3.495 1
1 1083 . 14 1 1 A 106 106 PHE HA H 729 4.626 4.345 0.281 1
1 1084 . 14 1 1 A 106 106 PHE CB C 729 39.633 38.535 1.098 1
1 1090 . 14 1 1 A 107 107 SER N N 730 116.751 114.904 1.847 1
1 1091 . 14 1 1 A 107 107 SER H H 730 7.962 8.200 -0.238 1
1 1092 . 14 1 1 A 107 107 SER CA C 730 57.921 60.791 -2.870 1
1 1093 . 14 1 1 A 107 107 SER HA H 730 4.413 4.367 0.046 1
1 1094 . 14 1 1 A 107 107 SER CB C 730 63.659 62.892 0.767 1
1 1097 . 14 1 1 A 108 108 LEU N N 731 123.373 116.318 7.055 1
1 1098 . 14 1 1 A 108 108 LEU H H 731 8.212 7.665 0.547 1
1 1099 . 14 1 1 A 108 108 LEU CA C 731 55.650 55.246 0.404 1
1 1100 . 14 1 1 A 108 108 LEU HA H 731 4.265 4.359 -0.094 1
1 1101 . 14 1 1 A 108 108 LEU CB C 731 42.257 43.367 -1.110 1
1 1113 . 14 1 1 A 109 109 ASP N N 732 118.496 119.820 -1.324 1
1 1114 . 14 1 1 A 109 109 ASP H H 732 8.172 8.418 -0.246 1
1 1115 . 14 1 1 A 109 109 ASP CA C 732 54.239 55.320 -1.081 1
1 1116 . 14 1 1 A 109 109 ASP HA H 732 4.566 4.463 0.103 1
1 1117 . 14 1 1 A 109 109 ASP CB C 732 41.124 39.468 1.656 1
1 1120 . 14 1 1 A 110 110 GLN N N 733 119.403 119.860 -0.457 1
1 1121 . 14 1 1 A 110 110 GLN H H 733 7.707 8.102 -0.395 1
1 1122 . 14 1 1 A 110 110 GLN CA C 733 53.251 54.209 -0.958 1
1 1123 . 14 1 1 A 110 110 GLN HA H 733 4.675 4.121 0.554 1
1 1124 . 14 1 1 A 110 110 GLN CB C 733 29.061 29.442 -0.381 1
1 1129 . 14 1 1 A 111 111 PRO CA C 734 63.869 63.956 -0.087 1
1 1130 . 14 1 1 A 111 111 PRO HA H 734 4.435 4.463 -0.028 1
1 1131 . 14 1 1 A 111 111 PRO CB C 734 31.900 32.098 -0.198 1
1 1139 . 14 1 1 A 112 112 GLY N N 735 109.783 105.887 3.896 1
1 1140 . 14 1 1 A 112 112 GLY H H 735 8.510 7.188 1.322 1
1 1141 . 14 1 1 A 112 112 GLY CA C 735 44.954 45.698 -0.744 1
1 1142 . 14 1 1 A 112 112 GLY HA3 H 735 3.903 4.177 -0.274 1
1 1143 . 14 1 1 A 112 112 GLY HA2 H 735 3.994 4.091 -0.097 1
1 1144 . 14 1 1 A 113 113 GLY N N 736 108.485 112.843 -4.358 1
1 1145 . 14 1 1 A 113 113 GLY H H 736 8.138 8.563 -0.425 1
1 1146 . 14 1 1 A 113 113 GLY CA C 736 44.755 46.167 -1.412 1
1 1147 . 14 1 1 A 113 113 GLY HA3 H 736 3.899 3.858 0.041 1
1 1148 . 14 1 1 A 113 113 GLY HA2 H 736 3.964 3.493 0.471 1
1 1149 . 14 1 1 A 114 114 THR N N 737 116.361 109.287 7.074 1
1 1150 . 14 1 1 A 114 114 THR H H 737 7.951 8.164 -0.213 1
1 1151 . 14 1 1 A 114 114 THR CA C 737 62.508 63.045 -0.537 1
1 1152 . 14 1 1 A 114 114 THR HA H 737 4.189 4.540 -0.351 1
1 1153 . 14 1 1 A 114 114 THR CB C 737 69.780 71.468 -1.688 1
1 1159 . 14 1 1 A 115 115 LEU N N 738 125.899 121.199 4.700 1
1 1160 . 14 1 1 A 115 115 LEU H H 738 8.575 8.417 0.158 1
1 1161 . 14 1 1 A 115 115 LEU CA C 738 54.534 57.032 -2.498 1
1 1162 . 14 1 1 A 115 115 LEU HA H 738 4.452 4.449 0.003 1
1 1163 . 14 1 1 A 115 115 LEU CB C 738 45.506 41.323 4.183 1
1 1176 . 14 1 1 A 116 116 ASP N N 739 115.416 119.151 -3.735 1
1 1177 . 14 1 1 A 116 116 ASP H H 739 6.819 8.321 -1.502 1
1 1178 . 14 1 1 A 116 116 ASP CA C 739 52.606 52.938 -0.332 1
1 1179 . 14 1 1 A 116 116 ASP HA H 739 4.472 5.005 -0.533 1
1 1180 . 14 1 1 A 116 116 ASP CB C 739 42.811 43.050 -0.239 1
1 1183 . 14 1 1 A 117 117 LEU N N 740 115.281 120.965 -5.684 1
1 1184 . 14 1 1 A 117 117 LEU H H 740 8.213 8.554 -0.341 1
1 1185 . 14 1 1 A 117 117 LEU CA C 740 57.750 57.809 -0.059 1
1 1186 . 14 1 1 A 117 117 LEU HA H 740 3.841 3.843 -0.002 1
1 1187 . 14 1 1 A 117 117 LEU CB C 740 42.005 41.032 0.973 1
1 1200 . 14 1 1 A 118 118 THR N N 741 116.995 113.081 3.914 1
1 1201 . 14 1 1 A 118 118 THR H H 741 8.152 7.683 0.469 1
1 1202 . 14 1 1 A 118 118 THR CA C 741 68.068 65.166 2.902 1
1 1203 . 14 1 1 A 118 118 THR HA H 741 4.054 4.230 -0.176 1
1 1204 . 14 1 1 A 118 118 THR CB C 741 68.392 68.757 -0.365 1
1 1210 . 14 1 1 A 119 119 LEU N N 742 127.180 121.784 5.396 1
1 1211 . 14 1 1 A 119 119 LEU H H 742 8.804 8.129 0.675 1
1 1212 . 14 1 1 A 119 119 LEU CA C 742 58.460 58.410 0.050 1
1 1213 . 14 1 1 A 119 119 LEU HA H 742 4.214 3.882 0.332 1
1 1214 . 14 1 1 A 119 119 LEU CB C 742 42.491 41.952 0.539 1
1 1227 . 14 1 1 A 120 120 ILE N N 743 120.880 119.239 1.641 1
1 1228 . 14 1 1 A 120 120 ILE H H 743 7.884 7.804 0.080 1
1 1229 . 14 1 1 A 120 120 ILE CA C 743 65.546 65.041 0.505 1
1 1230 . 14 1 1 A 120 120 ILE HA H 743 4.101 3.386 0.715 1
1 1231 . 14 1 1 A 120 120 ILE CB C 743 38.693 37.283 1.410 1
1 1244 . 14 1 1 A 121 121 ARG N N 744 119.772 120.517 -0.745 1
1 1245 . 14 1 1 A 121 121 ARG H H 744 8.792 8.356 0.436 1
1 1246 . 14 1 1 A 121 121 ARG CA C 744 60.369 59.458 0.911 1
1 1247 . 14 1 1 A 121 121 ARG HA H 744 3.896 3.908 -0.012 1
1 1248 . 14 1 1 A 121 121 ARG CB C 744 30.241 30.015 0.226 1
1 1257 . 14 1 1 A 122 122 ALA N N 745 120.978 120.926 0.052 1
1 1258 . 14 1 1 A 122 122 ALA H H 745 8.303 8.317 -0.014 1
1 1259 . 14 1 1 A 122 122 ALA CA C 745 55.203 55.020 0.183 1
1 1260 . 14 1 1 A 122 122 ALA HA H 745 4.246 3.948 0.298 1
1 1261 . 14 1 1 A 122 122 ALA CB C 745 18.005 18.279 -0.274 1
1 1265 . 14 1 1 A 123 123 ARG N N 746 119.408 118.030 1.378 1
1 1266 . 14 1 1 A 123 123 ARG H H 746 8.224 7.318 0.906 1
1 1267 . 14 1 1 A 123 123 ARG CA C 746 59.895 59.117 0.778 1
1 1268 . 14 1 1 A 123 123 ARG HA H 746 4.335 3.729 0.606 1
1 1269 . 14 1 1 A 123 123 ARG CB C 746 29.768 29.052 0.716 1
1 1279 . 14 1 1 A 124 124 LEU N N 747 125.115 119.954 5.161 1
1 1280 . 14 1 1 A 124 124 LEU H H 747 9.029 7.792 1.237 1
1 1281 . 14 1 1 A 124 124 LEU CA C 747 57.559 57.753 -0.194 1
1 1282 . 14 1 1 A 124 124 LEU HA H 747 4.925 3.868 1.057 1
1 1283 . 14 1 1 A 124 124 LEU CB C 747 42.721 41.332 1.389 1
1 1296 . 14 1 1 A 125 125 GLN N N 748 114.117 116.072 -1.955 1
1 1297 . 14 1 1 A 125 125 GLN H H 748 8.418 8.309 0.109 1
1 1298 . 14 1 1 A 125 125 GLN CA C 748 55.664 58.094 -2.430 1
1 1299 . 14 1 1 A 125 125 GLN HA H 748 4.444 4.149 0.295 1
1 1300 . 14 1 1 A 125 125 GLN CB C 748 29.301 29.104 0.197 1
1 1309 . 14 1 1 A 126 126 GLU N N 749 113.381 116.501 -3.120 1
1 1310 . 14 1 1 A 126 126 GLU H H 749 7.978 8.060 -0.082 1
1 1311 . 14 1 1 A 126 126 GLU CA C 749 57.789 57.403 0.386 1
1 1312 . 14 1 1 A 126 126 GLU HA H 749 4.156 4.385 -0.229 1
1 1313 . 14 1 1 A 126 126 GLU CB C 749 25.906 30.810 -4.904 1
1 1318 . 14 1 1 A 127 127 LYS N N 750 116.557 121.509 -4.952 1
1 1319 . 14 1 1 A 127 127 LYS H H 750 8.538 7.839 0.699 1
1 1320 . 14 1 1 A 127 127 LYS CA C 750 56.417 59.401 -2.984 1
1 1321 . 14 1 1 A 127 127 LYS HA H 750 4.344 3.933 0.411 1
1 1322 . 14 1 1 A 127 127 LYS CB C 750 33.029 32.189 0.840 1
1 1332 . 14 1 1 A 128 128 LEU N N 751 119.986 118.667 1.319 1
1 1333 . 14 1 1 A 128 128 LEU H H 751 6.949 7.611 -0.662 1
1 1334 . 14 1 1 A 128 128 LEU CA C 751 53.476 56.514 -3.038 1
1 1335 . 14 1 1 A 128 128 LEU HA H 751 4.532 4.200 0.332 1
1 1336 . 14 1 1 A 128 128 LEU CB C 751 45.503 42.583 2.920 1
1 1349 . 14 1 1 A 129 129 SER N N 752 118.455 110.516 7.939 1
1 1350 . 14 1 1 A 129 129 SER H H 752 8.225 8.046 0.179 1
1 1351 . 14 1 1 A 129 129 SER CA C 752 56.129 55.335 0.794 1
1 1352 . 14 1 1 A 129 129 SER HA H 752 4.434 4.949 -0.515 1
1 1353 . 14 1 1 A 129 129 SER CB C 752 63.911 65.546 -1.635 1
1 1356 . 14 1 1 A 130 130 PRO CA C 753 61.355 66.037 -4.682 1
1 1357 . 14 1 1 A 130 130 PRO HA H 753 5.026 4.278 0.748 1
1 1358 . 14 1 1 A 130 130 PRO CB C 753 32.831 31.510 1.321 1
1 1366 . 14 1 1 A 131 131 PRO CA C 754 62.470 63.493 -1.023 1
1 1367 . 14 1 1 A 131 131 PRO HA H 754 4.651 4.322 0.329 1
1 1368 . 14 1 1 A 131 131 PRO CB C 754 32.403 32.258 0.145 1
1 1377 . 14 1 1 A 132 132 TYR N N 755 121.321 117.079 4.242 1
1 1378 . 14 1 1 A 132 132 TYR H H 755 9.635 8.781 0.854 1
1 1379 . 14 1 1 A 132 132 TYR CA C 755 60.382 58.819 1.563 1
1 1380 . 14 1 1 A 132 132 TYR HA H 755 4.433 4.293 0.140 1
1 1381 . 14 1 1 A 132 132 TYR CB C 755 38.713 37.358 1.355 1
1 1388 . 14 1 1 A 133 133 SER N N 756 114.917 121.343 -6.426 1
1 1389 . 14 1 1 A 133 133 SER H H 756 9.343 8.270 1.073 1
1 1390 . 14 1 1 A 133 133 SER CA C 756 58.776 57.363 1.413 1
1 1391 . 14 1 1 A 133 133 SER HA H 756 4.430 4.769 -0.339 1
1 1392 . 14 1 1 A 133 133 SER CB C 756 64.839 64.583 0.256 1
1 1394 . 14 1 1 A 134 134 SER N N 757 112.021 113.106 -1.085 1
1 1395 . 14 1 1 A 134 134 SER H H 757 7.500 7.396 0.104 1
1 1396 . 14 1 1 A 134 134 SER CA C 757 56.158 56.171 -0.013 1
1 1397 . 14 1 1 A 134 134 SER HA H 757 4.950 4.793 0.157 1
1 1398 . 14 1 1 A 134 134 SER CB C 757 63.906 64.841 -0.935 1
1 1401 . 14 1 1 A 135 135 PRO CA C 758 64.159 65.769 -1.610 1
1 1402 . 14 1 1 A 135 135 PRO HA H 758 4.132 4.591 -0.459 1
1 1403 . 14 1 1 A 135 135 PRO CB C 758 31.649 32.012 -0.363 1
1 1412 . 14 1 1 A 136 136 GLN N N 759 116.382 117.198 -0.816 1
1 1413 . 14 1 1 A 136 136 GLN H H 759 8.067 8.192 -0.125 1
1 1414 . 14 1 1 A 136 136 GLN CA C 759 59.483 59.304 0.179 1
1 1415 . 14 1 1 A 136 136 GLN HA H 759 3.963 4.182 -0.219 1
1 1416 . 14 1 1 A 136 136 GLN CB C 759 27.414 28.358 -0.944 1
1 1425 . 14 1 1 A 137 137 GLU N N 760 121.764 119.968 1.796 1
1 1426 . 14 1 1 A 137 137 GLU H H 760 7.826 7.902 -0.076 1
1 1427 . 14 1 1 A 137 137 GLU CA C 760 59.184 59.666 -0.482 1
1 1428 . 14 1 1 A 137 137 GLU HA H 760 4.063 3.772 0.291 1
1 1429 . 14 1 1 A 137 137 GLU CB C 760 30.403 29.179 1.224 1
1 1435 . 14 1 1 A 138 138 PHE N N 761 120.582 120.870 -0.288 1
1 1436 . 14 1 1 A 138 138 PHE H H 761 6.900 7.810 -0.910 1
1 1437 . 14 1 1 A 138 138 PHE CA C 761 60.105 62.066 -1.961 1
1 1438 . 14 1 1 A 138 138 PHE HA H 761 3.604 4.341 -0.737 1
1 1439 . 14 1 1 A 138 138 PHE CB C 761 38.271 39.570 -1.299 1
1 1448 . 14 1 1 A 139 139 ALA N N 762 120.917 121.001 -0.084 1
1 1449 . 14 1 1 A 139 139 ALA H H 762 8.399 8.906 -0.507 1
1 1450 . 14 1 1 A 139 139 ALA CA C 762 54.940 55.563 -0.623 1
1 1451 . 14 1 1 A 139 139 ALA HA H 762 3.804 4.641 -0.837 1
1 1452 . 14 1 1 A 139 139 ALA CB C 762 18.001 18.808 -0.807 1
1 1456 . 14 1 1 A 140 140 GLN N N 763 119.041 116.884 2.157 1
1 1457 . 14 1 1 A 140 140 GLN H H 763 8.436 8.130 0.306 1
1 1458 . 14 1 1 A 140 140 GLN CA C 763 58.474 58.059 0.415 1
1 1459 . 14 1 1 A 140 140 GLN HA H 763 4.056 4.174 -0.118 1
1 1460 . 14 1 1 A 140 140 GLN CB C 763 28.345 28.435 -0.090 1
1 1469 . 14 1 1 A 141 141 ASP N N 764 122.985 120.511 2.474 1
1 1470 . 14 1 1 A 141 141 ASP H H 764 7.694 8.222 -0.528 1
1 1471 . 14 1 1 A 141 141 ASP CA C 764 57.087 56.622 0.465 1
1 1472 . 14 1 1 A 141 141 ASP HA H 764 4.517 4.427 0.090 1
1 1473 . 14 1 1 A 141 141 ASP CB C 764 39.897 40.894 -0.997 1
1 1476 . 14 1 1 A 142 142 VAL N N 765 119.630 119.139 0.491 1
1 1477 . 14 1 1 A 142 142 VAL H H 765 7.431 8.283 -0.852 1
1 1478 . 14 1 1 A 142 142 VAL CA C 765 66.489 64.810 1.679 1
1 1479 . 14 1 1 A 142 142 VAL HA H 765 2.740 3.380 -0.640 1
1 1480 . 14 1 1 A 142 142 VAL CB C 765 30.729 31.303 -0.574 1
1 1490 . 14 1 1 A 143 143 GLY N N 766 104.089 107.912 -3.823 1
1 1491 . 14 1 1 A 143 143 GLY H H 766 8.089 7.956 0.133 1
1 1492 . 14 1 1 A 143 143 GLY CA C 766 47.271 46.597 0.674 1
1 1493 . 14 1 1 A 143 143 GLY HA3 H 766 3.783 3.717 0.066 1
1 1494 . 14 1 1 A 143 143 GLY HA2 H 766 3.870 3.665 0.205 1
1 1495 . 14 1 1 A 144 144 ARG N N 767 123.406 122.134 1.272 1
1 1496 . 14 1 1 A 144 144 ARG H H 767 8.270 7.895 0.375 1
1 1497 . 14 1 1 A 144 144 ARG CA C 767 59.627 59.048 0.579 1
1 1498 . 14 1 1 A 144 144 ARG HA H 767 4.026 4.108 -0.082 1
1 1499 . 14 1 1 A 144 144 ARG CB C 767 30.003 30.288 -0.285 1
1 1507 . 14 1 1 A 145 145 MET N N 768 121.310 118.578 2.732 1
1 1508 . 14 1 1 A 145 145 MET H H 768 8.053 8.151 -0.098 1
1 1509 . 14 1 1 A 145 145 MET CA C 768 58.727 58.938 -0.211 1
1 1510 . 14 1 1 A 145 145 MET HA H 768 3.932 4.086 -0.154 1
1 1511 . 14 1 1 A 145 145 MET CB C 768 31.536 31.843 -0.307 1
1 1521 . 14 1 1 A 146 146 PHE N N 769 117.125 118.169 -1.044 1
1 1522 . 14 1 1 A 146 146 PHE H H 769 8.005 7.925 0.080 1
1 1523 . 14 1 1 A 146 146 PHE CA C 769 59.441 61.248 -1.807 1
1 1524 . 14 1 1 A 146 146 PHE HA H 769 4.582 4.562 0.020 1
1 1525 . 14 1 1 A 146 146 PHE CB C 769 37.558 38.465 -0.907 1
1 1534 . 14 1 1 A 147 147 LYS N N 770 119.226 118.515 0.711 1
1 1535 . 14 1 1 A 147 147 LYS H H 770 8.078 8.089 -0.011 1
1 1536 . 14 1 1 A 147 147 LYS CA C 770 59.479 59.616 -0.137 1
1 1537 . 14 1 1 A 147 147 LYS HA H 770 4.153 4.013 0.140 1
1 1538 . 14 1 1 A 147 147 LYS CB C 770 32.336 32.243 0.093 1
1 1547 . 14 1 1 A 148 148 GLN N N 771 118.870 118.622 0.248 1
1 1548 . 14 1 1 A 148 148 GLN H H 771 8.338 8.487 -0.149 1
1 1549 . 14 1 1 A 148 148 GLN CA C 771 58.440 58.365 0.075 1
1 1550 . 14 1 1 A 148 148 GLN HA H 771 4.140 4.218 -0.078 1
1 1551 . 14 1 1 A 148 148 GLN CB C 771 28.382 28.558 -0.176 1
1 1560 . 14 1 1 A 149 149 PHE N N 772 120.162 121.986 -1.824 1
1 1561 . 14 1 1 A 149 149 PHE H H 772 8.411 8.787 -0.376 1
1 1562 . 14 1 1 A 149 149 PHE CA C 772 60.460 61.402 -0.942 1
1 1563 . 14 1 1 A 149 149 PHE HA H 772 4.433 4.233 0.200 1
1 1564 . 14 1 1 A 149 149 PHE CB C 772 39.428 39.607 -0.179 1
1 1573 . 14 1 1 A 150 150 ASN N N 773 117.836 117.339 0.497 1
1 1574 . 14 1 1 A 150 150 ASN H H 773 8.279 8.457 -0.178 1
1 1575 . 14 1 1 A 150 150 ASN HA H 773 4.375 4.734 -0.359 1
1 1576 . 14 1 1 A 150 150 ASN CB C 773 38.977 38.459 0.518 1
1 1582 . 14 1 1 A 151 151 LYS N N 774 118.045 118.653 -0.608 1
1 1583 . 14 1 1 A 151 151 LYS H H 774 7.648 7.651 -0.003 1
1 1584 . 14 1 1 A 151 151 LYS CA C 774 57.563 58.485 -0.922 1
1 1585 . 14 1 1 A 151 151 LYS HA H 774 4.225 4.152 0.073 1
1 1586 . 14 1 1 A 151 151 LYS CB C 774 32.333 32.297 0.036 1
1 1595 . 14 1 1 A 152 152 LEU N N 775 119.031 119.723 -0.692 1
1 1596 . 14 1 1 A 152 152 LEU H H 775 7.825 8.215 -0.390 1
1 1597 . 14 1 1 A 152 152 LEU CA C 775 55.990 57.884 -1.894 1
1 1598 . 14 1 1 A 152 152 LEU HA H 775 4.270 4.017 0.253 1
1 1599 . 14 1 1 A 152 152 LEU CB C 775 42.487 41.924 0.563 1
1 1612 . 14 1 1 A 153 153 THR N N 776 110.107 112.469 -2.362 1
1 1613 . 14 1 1 A 153 153 THR H H 776 7.525 7.640 -0.115 1
1 1614 . 14 1 1 A 153 153 THR CA C 776 61.535 64.586 -3.051 1
1 1615 . 14 1 1 A 153 153 THR HA H 776 4.332 4.189 0.143 1
1 1616 . 14 1 1 A 153 153 THR CB C 776 69.570 70.117 -0.547 1
1 1622 . 14 1 1 A 154 154 GLU N N 777 122.427 115.203 7.224 1
1 1623 . 14 1 1 A 154 154 GLU H H 777 8.027 7.660 0.367 1
1 1624 . 14 1 1 A 154 154 GLU CA C 777 57.720 56.933 0.787 1
1 1625 . 14 1 1 A 154 154 GLU HA H 777 4.216 4.427 -0.211 1
1 1626 . 14 1 1 A 154 154 GLU CB C 777 29.977 31.250 -1.273 1
1 1631 . 14 1 1 A 155 155 ASP N N 778 119.283 119.925 -0.642 1
1 1632 . 14 1 1 A 155 155 ASP H H 778 8.372 7.972 0.400 1
1 1633 . 14 1 1 A 155 155 ASP CA C 778 54.709 53.752 0.957 1
1 1634 . 14 1 1 A 155 155 ASP HA H 778 4.602 4.901 -0.299 1
1 1635 . 14 1 1 A 155 155 ASP CB C 778 40.600 42.164 -1.564 1
1 1638 . 14 1 1 A 156 156 LYS N N 779 120.684 118.028 2.656 1
1 1639 . 14 1 1 A 156 156 LYS H H 779 8.068 7.582 0.486 1
1 1640 . 14 1 1 A 156 156 LYS CA C 779 56.388 56.970 -0.582 1
1 1641 . 14 1 1 A 156 156 LYS HA H 779 4.333 4.507 -0.174 1
1 1642 . 14 1 1 A 156 156 LYS CB C 779 32.814 33.936 -1.122 1
1 1651 . 14 1 1 A 157 157 ALA N N 780 123.182 120.908 2.274 1
1 1652 . 14 1 1 A 157 157 ALA H H 780 8.197 8.137 0.060 1
1 1653 . 14 1 1 A 157 157 ALA CA C 780 52.591 53.415 -0.824 1
1 1654 . 14 1 1 A 157 157 ALA HA H 780 4.337 4.188 0.149 1
1 1655 . 14 1 1 A 157 157 ALA CB C 780 19.186 17.571 1.615 1
1 1659 . 14 1 1 A 158 158 ASP N N 781 118.794 108.653 10.141 1
1 1660 . 14 1 1 A 158 158 ASP H H 781 8.222 8.393 -0.171 1
1 1661 . 14 1 1 A 158 158 ASP CA C 781 54.003 54.647 -0.644 1
1 1662 . 14 1 1 A 158 158 ASP HA H 781 4.673 4.353 0.320 1
1 1663 . 14 1 1 A 158 158 ASP CB C 781 41.075 39.078 1.997 1
1 1666 . 14 1 1 A 159 159 VAL N N 782 120.713 119.578 1.135 1
1 1667 . 14 1 1 A 159 159 VAL H H 782 8.039 7.921 0.118 1
1 1668 . 14 1 1 A 159 159 VAL CA C 782 63.898 65.155 -1.257 1
1 1669 . 14 1 1 A 159 159 VAL HA H 782 4.028 3.593 0.435 1
1 1670 . 14 1 1 A 159 159 VAL CB C 782 32.181 31.393 0.788 1
1 1680 . 14 1 1 A 160 160 GLN N N 783 120.756 120.695 0.061 1
1 1681 . 14 1 1 A 160 160 GLN H H 783 8.370 8.069 0.301 1
1 1682 . 14 1 1 A 160 160 GLN CA C 783 57.563 57.874 -0.311 1
1 1683 . 14 1 1 A 160 160 GLN HA H 783 4.219 4.151 0.068 1
1 1684 . 14 1 1 A 160 160 GLN CB C 783 28.410 28.567 -0.157 1
1 1691 . 14 1 1 A 161 161 SER N N 784 116.111 114.499 1.612 1
1 1692 . 14 1 1 A 161 161 SER H H 784 8.190 8.648 -0.458 1
1 1693 . 14 1 1 A 161 161 SER CA C 784 60.089 60.992 -0.903 1
1 1694 . 14 1 1 A 161 161 SER HA H 784 4.361 4.410 -0.049 1
1 1695 . 14 1 1 A 161 161 SER CB C 784 62.955 63.231 -0.276 1
1 1698 . 14 1 1 A 162 162 ILE N N 785 122.105 121.648 0.457 1
1 1699 . 14 1 1 A 162 162 ILE H H 785 8.014 7.623 0.391 1
1 1700 . 14 1 1 A 162 162 ILE CA C 785 62.963 64.346 -1.383 1
1 1701 . 14 1 1 A 162 162 ILE HA H 785 3.986 3.549 0.437 1
1 1702 . 14 1 1 A 162 162 ILE CB C 785 37.568 37.633 -0.065 1
1 1715 . 14 1 1 A 163 163 ILE N N 786 122.150 120.292 1.858 1
1 1716 . 14 1 1 A 163 163 ILE H H 786 7.913 8.432 -0.519 1
1 1717 . 14 1 1 A 163 163 ILE CA C 786 64.074 65.232 -1.158 1
1 1718 . 14 1 1 A 163 163 ILE HA H 786 3.947 3.678 0.269 1
1 1719 . 14 1 1 A 163 163 ILE CB C 786 37.561 37.754 -0.193 1
1 1732 . 14 1 1 A 164 164 GLY N N 787 107.177 107.879 -0.702 1
1 1733 . 14 1 1 A 164 164 GLY H H 787 8.057 7.928 0.129 1
1 1734 . 14 1 1 A 164 164 GLY CA C 787 46.938 46.941 -0.003 1
1 1735 . 14 1 1 A 164 164 GLY HA3 H 787 3.907 3.752 0.155 1
1 1736 . 14 1 1 A 164 164 GLY HA2 H 787 4.007 3.722 0.285 1
1 1737 . 14 1 1 A 165 165 LEU N N 788 123.590 122.957 0.633 1
1 1738 . 14 1 1 A 165 165 LEU H H 788 7.676 7.456 0.220 1
1 1739 . 14 1 1 A 165 165 LEU CA C 788 57.738 57.654 0.084 1
1 1740 . 14 1 1 A 165 165 LEU HA H 788 4.052 3.859 0.193 1
1 1741 . 14 1 1 A 165 165 LEU CB C 788 40.833 41.688 -0.855 1
1 1753 . 14 1 1 A 166 166 GLN N N 789 119.114 118.695 0.419 1
1 1754 . 14 1 1 A 166 166 GLN H H 789 7.956 8.469 -0.513 1
1 1755 . 14 1 1 A 166 166 GLN CA C 789 59.445 58.888 0.557 1
1 1756 . 14 1 1 A 166 166 GLN HA H 789 3.844 3.180 0.664 1
1 1757 . 14 1 1 A 166 166 GLN CB C 789 27.826 27.762 0.064 1
1 1765 . 14 1 1 A 167 167 ARG N N 790 118.851 119.751 -0.900 1
1 1766 . 14 1 1 A 167 167 ARG H H 790 8.387 8.077 0.310 1
1 1767 . 14 1 1 A 167 167 ARG CA C 790 58.942 58.213 0.729 1
1 1768 . 14 1 1 A 167 167 ARG HA H 790 4.191 4.143 0.048 1
1 1769 . 14 1 1 A 167 167 ARG CB C 790 29.829 30.215 -0.386 1
1 1776 . 14 1 1 A 168 168 PHE N N 791 122.408 121.704 0.704 1
1 1777 . 14 1 1 A 168 168 PHE H H 791 8.127 7.922 0.205 1
1 1778 . 14 1 1 A 168 168 PHE CA C 791 61.976 61.502 0.474 1
1 1779 . 14 1 1 A 168 168 PHE HA H 791 4.164 4.286 -0.122 1
1 1780 . 14 1 1 A 168 168 PHE CB C 791 38.894 39.155 -0.261 1
1 1788 . 14 1 1 A 169 169 PHE N N 792 119.223 120.520 -1.297 1
1 1789 . 14 1 1 A 169 169 PHE H H 792 8.500 8.894 -0.394 1
1 1790 . 14 1 1 A 169 169 PHE CA C 792 61.093 62.202 -1.109 1
1 1791 . 14 1 1 A 169 169 PHE HA H 792 4.053 4.392 -0.339 1
1 1792 . 14 1 1 A 169 169 PHE CB C 792 39.182 39.716 -0.534 1
1 1800 . 14 1 1 A 170 170 GLU N N 793 119.089 118.189 0.900 1
1 1801 . 14 1 1 A 170 170 GLU H H 793 8.718 8.532 0.186 1
1 1802 . 14 1 1 A 170 170 GLU CA C 793 59.843 59.220 0.623 1
1 1803 . 14 1 1 A 170 170 GLU HA H 793 3.483 3.636 -0.153 1
1 1804 . 14 1 1 A 170 170 GLU CB C 793 29.372 29.585 -0.213 1
1 1810 . 14 1 1 A 171 171 THR N N 794 115.081 117.111 -2.030 1
1 1811 . 14 1 1 A 171 171 THR H H 794 8.205 7.964 0.241 1
1 1812 . 14 1 1 A 171 171 THR CA C 794 66.661 67.010 -0.349 1
1 1813 . 14 1 1 A 171 171 THR HA H 794 3.935 3.721 0.214 1
1 1814 . 14 1 1 A 171 171 THR CB C 794 68.604 68.596 0.008 1
1 1820 . 14 1 1 A 172 172 ARG N N 795 120.165 118.692 1.473 1
1 1821 . 14 1 1 A 172 172 ARG H H 795 7.776 7.795 -0.019 1
1 1822 . 14 1 1 A 172 172 ARG CA C 795 57.535 59.681 -2.146 1
1 1823 . 14 1 1 A 172 172 ARG HA H 795 4.030 4.025 0.005 1
1 1824 . 14 1 1 A 172 172 ARG CB C 795 29.886 30.172 -0.286 1
1 1828 . 14 1 1 A 173 173 MET N N 796 120.347 118.374 1.973 1
1 1829 . 14 1 1 A 173 173 MET H H 796 8.503 7.903 0.600 1
1 1830 . 14 1 1 A 173 173 MET CA C 796 57.453 58.000 -0.547 1
1 1831 . 14 1 1 A 173 173 MET HA H 796 4.383 3.689 0.694 1
1 1832 . 14 1 1 A 173 173 MET CB C 796 30.469 31.456 -0.987 1
1 1840 . 14 1 1 A 174 174 ASN N N 797 119.200 117.241 1.959 1
1 1841 . 14 1 1 A 174 174 ASN H H 797 8.351 7.702 0.649 1
1 1842 . 14 1 1 A 174 174 ASN CA C 797 55.851 55.328 0.523 1
1 1843 . 14 1 1 A 174 174 ASN HA H 797 4.510 4.351 0.159 1
1 1844 . 14 1 1 A 174 174 ASN CB C 797 38.213 38.357 -0.144 1
1 1850 . 14 1 1 A 175 175 GLU N N 798 119.589 118.890 0.699 1
1 1851 . 14 1 1 A 175 175 GLU H H 798 7.896 8.330 -0.434 1
1 1852 . 14 1 1 A 175 175 GLU CA C 798 59.033 58.769 0.264 1
1 1853 . 14 1 1 A 175 175 GLU HA H 798 3.967 3.929 0.038 1
1 1854 . 14 1 1 A 175 175 GLU CB C 798 29.296 29.179 0.117 1
1 1860 . 14 1 1 A 176 176 ALA N N 799 116.937 121.238 -4.301 1
1 1861 . 14 1 1 A 176 176 ALA H H 799 8.030 7.688 0.342 1
1 1862 . 14 1 1 A 176 176 ALA CA C 799 54.179 53.425 0.754 1
1 1863 . 14 1 1 A 176 176 ALA HA H 799 4.085 4.319 -0.234 1
1 1864 . 14 1 1 A 176 176 ALA CB C 799 19.432 19.126 0.306 1
1 1868 . 14 1 1 A 177 177 PHE N N 800 112.840 115.510 -2.670 1
1 1869 . 14 1 1 A 177 177 PHE H H 800 8.544 7.422 1.122 1
1 1870 . 14 1 1 A 177 177 PHE CA C 800 59.182 58.069 1.113 1
1 1871 . 14 1 1 A 177 177 PHE HA H 800 4.515 4.478 0.037 1
1 1872 . 14 1 1 A 177 177 PHE CB C 800 39.642 39.157 0.485 1
1 1881 . 14 1 1 A 178 178 GLY N N 801 110.339 107.354 2.985 1
1 1882 . 14 1 1 A 178 178 GLY H H 801 7.974 8.042 -0.068 1
1 1883 . 14 1 1 A 178 178 GLY CA C 801 45.607 46.562 -0.955 1
1 1884 . 14 1 1 A 178 178 GLY HA3 H 801 3.988 4.058 -0.070 1
1 1885 . 14 1 1 A 178 178 GLY HA2 H 801 4.031 4.049 -0.018 1
1 1886 . 14 1 1 A 179 179 ASP N N 802 119.627 118.465 1.162 1
1 1887 . 14 1 1 A 179 179 ASP H H 802 8.185 8.155 0.030 1
1 1888 . 14 1 1 A 179 179 ASP CA C 802 53.949 55.258 -1.309 1
1 1889 . 14 1 1 A 179 179 ASP HA H 802 4.679 4.917 -0.238 1
1 1890 . 14 1 1 A 179 179 ASP CB C 802 41.070 43.832 -2.762 1
1 1892 . 14 1 1 A 180 180 THR N N 803 113.769 109.926 3.843 1
1 1893 . 14 1 1 A 180 180 THR H H 803 8.037 7.968 0.069 1
1 1894 . 14 1 1 A 180 180 THR CA C 803 61.885 64.017 -2.132 1
1 1895 . 14 1 1 A 180 180 THR HA H 803 4.331 4.356 -0.025 1
1 1896 . 14 1 1 A 180 180 THR CB C 803 70.002 69.936 0.066 1
1 1902 . 14 1 1 A 181 181 LYS N N 804 122.277 117.817 4.460 1
1 1903 . 14 1 1 A 181 181 LYS H H 804 8.198 8.353 -0.155 1
1 1904 . 14 1 1 A 181 181 LYS CA C 804 56.652 57.663 -1.011 1
1 1905 . 14 1 1 A 181 181 LYS HA H 804 4.151 4.126 0.025 1
1 1906 . 14 1 1 A 181 181 LYS CB C 804 32.377 30.510 1.867 1
1 1914 . 14 1 1 A 182 182 PHE N N 805 119.784 111.732 8.052 1
1 1915 . 14 1 1 A 182 182 PHE H H 805 8.206 8.335 -0.129 1
1 1916 . 14 1 1 A 182 182 PHE CA C 805 57.256 58.922 -1.666 1
1 1917 . 14 1 1 A 182 182 PHE HA H 805 4.664 4.097 0.567 1
1 1918 . 14 1 1 A 182 182 PHE CB C 805 38.774 36.222 2.552 1
1 1927 . 14 1 1 A 183 183 SER N N 806 123.742 112.917 10.825 1
1 1928 . 14 1 1 A 183 183 SER H H 806 8.121 8.722 -0.601 1
1 1929 . 14 1 1 A 183 183 SER CA C 806 58.203 59.533 -1.330 1
1 1930 . 14 1 1 A 183 183 SER HA H 806 4.361 4.274 0.087 1
1 1931 . 14 1 1 A 183 183 SER CB C 806 63.764 61.078 2.686 1
1 1934 . 14 1 1 A 184 184 ALA N N 807 125.704 121.415 4.289 1
1 1935 . 14 1 1 A 184 184 ALA H H 807 8.286 8.203 0.083 1
1 1936 . 14 1 1 A 184 184 ALA CA C 807 52.574 54.248 -1.674 1
1 1937 . 14 1 1 A 184 184 ALA HA H 807 4.360 4.048 0.312 1
1 1938 . 14 1 1 A 184 184 ALA CB C 807 18.947 17.816 1.131 1
1 1942 . 14 1 1 A 185 185 VAL N N 808 118.271 111.455 6.816 1
1 1943 . 14 1 1 A 185 185 VAL H H 808 7.958 7.652 0.306 1
1 1944 . 14 1 1 A 185 185 VAL CA C 808 62.216 61.282 0.934 1
1 1945 . 14 1 1 A 185 185 VAL HA H 808 4.151 4.531 -0.380 1
1 1946 . 14 1 1 A 185 185 VAL CB C 808 32.178 33.187 -1.009 1
1 1952 . 14 1 1 A 186 186 LEU N N 809 125.280 120.718 4.562 1
1 1953 . 14 1 1 A 186 186 LEU H H 809 8.195 7.138 1.057 1
1 1954 . 14 1 1 A 186 186 LEU CA C 809 54.474 56.645 -2.171 1
1 1955 . 14 1 1 A 186 186 LEU HA H 809 4.430 4.390 0.040 1
1 1956 . 14 1 1 A 186 186 LEU CB C 809 42.303 42.539 -0.236 1
1 1968 . 14 1 1 A 187 187 VAL N N 810 120.937 117.093 3.844 1
1 1969 . 14 1 1 A 187 187 VAL H H 810 7.985 7.809 0.176 1
1 1970 . 14 1 1 A 187 187 VAL CA C 810 62.004 63.627 -1.623 1
1 1971 . 14 1 1 A 187 187 VAL HA H 810 4.155 4.238 -0.083 1
1 1972 . 14 1 1 A 187 187 VAL CB C 810 32.602 29.774 2.828 1
1 1979 . 14 1 1 A 188 188 GLU N N 811 126.353 124.392 1.961 1
1 1980 . 14 1 1 A 188 188 GLU H H 811 8.292 7.934 0.358 1
1 1981 . 14 1 1 A 188 188 GLU CA C 811 54.162 53.933 0.229 1
1 1982 . 14 1 1 A 188 188 GLU HA H 811 4.609 4.626 -0.017 1
1 1983 . 14 1 1 A 188 188 GLU CB C 811 29.775 30.897 -1.122 1
1 1 . 15 1 1 A 2 2 ALA CA C 625 52.969 50.451 2.518 1
1 2 . 15 1 1 A 2 2 ALA HA H 625 4.493 4.594 -0.101 1
1 3 . 15 1 1 A 2 2 ALA CB C 625 19.272 22.035 -2.763 1
1 7 . 15 1 1 A 3 3 THR N N 626 113.570 114.333 -0.763 1
1 8 . 15 1 1 A 3 3 THR H H 626 8.176 9.032 -0.856 1
1 9 . 15 1 1 A 3 3 THR CA C 626 61.314 66.979 -5.665 1
1 10 . 15 1 1 A 3 3 THR HA H 626 4.298 3.947 0.351 1
1 11 . 15 1 1 A 3 3 THR CB C 626 69.270 68.936 0.334 1
1 17 . 15 1 1 A 4 4 ILE N N 627 115.272 117.928 -2.656 1
1 18 . 15 1 1 A 4 4 ILE H H 627 7.549 7.864 -0.315 1
1 19 . 15 1 1 A 4 4 ILE CA C 627 58.731 61.600 -2.869 1
1 20 . 15 1 1 A 4 4 ILE HA H 627 4.258 4.394 -0.136 1
1 21 . 15 1 1 A 4 4 ILE CB C 627 42.246 37.352 4.894 1
1 34 . 15 1 1 A 5 5 CYS N N 628 124.095 125.006 -0.911 1
1 35 . 15 1 1 A 5 5 CYS H H 628 7.766 8.581 -0.815 1
1 36 . 15 1 1 A 5 5 CYS CA C 628 57.978 58.522 -0.544 1
1 37 . 15 1 1 A 5 5 CYS HA H 628 3.781 4.847 -1.066 1
1 38 . 15 1 1 A 5 5 CYS CB C 628 31.436 27.433 4.003 1
1 41 . 15 1 1 A 6 6 ARG N N 629 129.928 127.620 2.308 1
1 42 . 15 1 1 A 6 6 ARG H H 629 9.040 7.783 1.257 1
1 43 . 15 1 1 A 6 6 ARG CA C 629 57.514 59.415 -1.901 1
1 44 . 15 1 1 A 6 6 ARG HA H 629 3.900 3.723 0.177 1
1 45 . 15 1 1 A 6 6 ARG CB C 629 30.251 29.471 0.780 1
1 54 . 15 1 1 A 7 7 VAL N N 630 118.166 119.393 -1.227 1
1 55 . 15 1 1 A 7 7 VAL H H 630 8.734 7.605 1.129 1
1 56 . 15 1 1 A 7 7 VAL CA C 630 65.770 66.746 -0.976 1
1 57 . 15 1 1 A 7 7 VAL HA H 630 4.137 3.817 0.320 1
1 58 . 15 1 1 A 7 7 VAL CB C 630 33.079 31.720 1.359 1
1 68 . 15 1 1 A 8 8 CYS N N 631 116.148 114.464 1.684 1
1 69 . 15 1 1 A 8 8 CYS H H 631 8.143 7.709 0.434 1
1 70 . 15 1 1 A 8 8 CYS CA C 631 59.154 58.172 0.982 1
1 71 . 15 1 1 A 8 8 CYS HA H 631 5.105 4.266 0.839 1
1 72 . 15 1 1 A 8 8 CYS CB C 631 31.184 27.035 4.149 1
1 75 . 15 1 1 A 9 9 GLN N N 632 115.248 115.960 -0.712 1
1 76 . 15 1 1 A 9 9 GLN H H 632 8.132 8.911 -0.779 1
1 77 . 15 1 1 A 9 9 GLN CA C 632 57.404 56.749 0.655 1
1 78 . 15 1 1 A 9 9 GLN HA H 632 4.068 3.743 0.325 1
1 79 . 15 1 1 A 9 9 GLN CB C 632 26.002 26.323 -0.321 1
1 88 . 15 1 1 A 10 10 LYS N N 633 118.420 118.987 -0.567 1
1 89 . 15 1 1 A 10 10 LYS H H 633 8.091 7.869 0.222 1
1 90 . 15 1 1 A 10 10 LYS CA C 633 53.835 52.927 0.908 1
1 91 . 15 1 1 A 10 10 LYS HA H 633 5.046 4.747 0.299 1
1 92 . 15 1 1 A 10 10 LYS CB C 633 33.312 33.287 0.025 1
1 102 . 15 1 1 A 11 11 PRO CA C 634 62.136 63.316 -1.180 1
1 103 . 15 1 1 A 11 11 PRO HA H 634 5.056 4.624 0.432 1
1 104 . 15 1 1 A 11 11 PRO CB C 634 33.061 33.047 0.014 1
1 112 . 15 1 1 A 12 12 GLY N N 635 106.958 107.535 -0.577 1
1 113 . 15 1 1 A 12 12 GLY H H 635 8.475 8.109 0.366 1
1 114 . 15 1 1 A 12 12 GLY CA C 635 45.303 45.359 -0.056 1
1 115 . 15 1 1 A 12 12 GLY HA3 H 635 3.812 4.361 -0.549 1
1 116 . 15 1 1 A 12 12 GLY HA2 H 635 4.438 4.257 0.181 1
1 117 . 15 1 1 A 13 13 ASP N N 636 124.001 122.473 1.528 1
1 118 . 15 1 1 A 13 13 ASP H H 636 8.729 8.539 0.190 1
1 119 . 15 1 1 A 13 13 ASP CA C 636 54.239 53.376 0.863 1
1 120 . 15 1 1 A 13 13 ASP HA H 636 4.656 4.742 -0.086 1
1 121 . 15 1 1 A 13 13 ASP CB C 636 39.425 39.104 0.321 1
1 124 . 15 1 1 A 14 14 LEU N N 637 121.435 121.413 0.022 1
1 125 . 15 1 1 A 14 14 LEU H H 637 7.849 7.691 0.158 1
1 126 . 15 1 1 A 14 14 LEU CA C 637 53.306 54.714 -1.408 1
1 127 . 15 1 1 A 14 14 LEU HA H 637 4.546 4.682 -0.136 1
1 128 . 15 1 1 A 14 14 LEU CB C 637 44.117 42.282 1.835 1
1 141 . 15 1 1 A 15 15 VAL N N 638 118.100 120.581 -2.481 1
1 142 . 15 1 1 A 15 15 VAL H H 638 8.703 8.778 -0.075 1
1 143 . 15 1 1 A 15 15 VAL CA C 638 59.865 61.278 -1.413 1
1 144 . 15 1 1 A 15 15 VAL HA H 638 4.383 4.772 -0.389 1
1 145 . 15 1 1 A 15 15 VAL CB C 638 33.305 33.079 0.226 1
1 155 . 15 1 1 A 16 16 MET N N 639 125.271 126.565 -1.294 1
1 156 . 15 1 1 A 16 16 MET H H 639 8.519 8.932 -0.413 1
1 157 . 15 1 1 A 16 16 MET CA C 639 54.122 54.732 -0.610 1
1 158 . 15 1 1 A 16 16 MET HA H 639 5.210 4.850 0.360 1
1 159 . 15 1 1 A 16 16 MET CB C 639 36.310 32.642 3.668 1
1 169 . 15 1 1 A 17 17 CYS N N 640 129.455 124.993 4.462 1
1 170 . 15 1 1 A 17 17 CYS H H 640 9.139 8.886 0.253 1
1 171 . 15 1 1 A 17 17 CYS CA C 640 59.996 59.997 -0.001 1
1 172 . 15 1 1 A 17 17 CYS HA H 640 4.658 4.693 -0.035 1
1 173 . 15 1 1 A 17 17 CYS CB C 640 31.238 28.461 2.777 1
1 176 . 15 1 1 A 18 18 ASN N N 641 128.271 126.813 1.458 1
1 177 . 15 1 1 A 18 18 ASN H H 641 8.914 9.505 -0.591 1
1 178 . 15 1 1 A 18 18 ASN CA C 641 55.658 55.575 0.083 1
1 179 . 15 1 1 A 18 18 ASN HA H 641 4.584 4.394 0.190 1
1 180 . 15 1 1 A 18 18 ASN CB C 641 38.955 38.530 0.425 1
1 186 . 15 1 1 A 19 19 GLN N N 642 121.426 115.685 5.741 1
1 187 . 15 1 1 A 19 19 GLN H H 642 9.313 7.827 1.486 1
1 188 . 15 1 1 A 19 19 GLN CA C 642 57.971 56.654 1.317 1
1 189 . 15 1 1 A 19 19 GLN HA H 642 4.502 4.383 0.119 1
1 190 . 15 1 1 A 19 19 GLN CB C 642 30.466 30.391 0.075 1
1 197 . 15 1 1 A 20 20 CYS N N 643 120.207 114.550 5.657 1
1 198 . 15 1 1 A 20 20 CYS H H 643 8.542 7.681 0.861 1
1 199 . 15 1 1 A 20 20 CYS CA C 643 59.473 58.013 1.460 1
1 200 . 15 1 1 A 20 20 CYS HA H 643 4.663 4.715 -0.052 1
1 201 . 15 1 1 A 20 20 CYS CB C 643 31.889 27.838 4.051 1
1 204 . 15 1 1 A 21 21 GLU N N 644 114.113 115.066 -0.953 1
1 205 . 15 1 1 A 21 21 GLU H H 644 7.441 8.164 -0.723 1
1 206 . 15 1 1 A 21 21 GLU CA C 644 57.994 58.159 -0.165 1
1 207 . 15 1 1 A 21 21 GLU HA H 644 4.285 4.061 0.224 1
1 208 . 15 1 1 A 21 21 GLU CB C 644 26.843 28.048 -1.205 1
1 214 . 15 1 1 A 22 22 PHE N N 645 120.911 119.589 1.322 1
1 215 . 15 1 1 A 22 22 PHE H H 645 8.941 8.274 0.667 1
1 216 . 15 1 1 A 22 22 PHE CA C 645 57.356 58.860 -1.504 1
1 217 . 15 1 1 A 22 22 PHE HA H 645 4.777 4.568 0.209 1
1 218 . 15 1 1 A 22 22 PHE CB C 645 38.709 39.272 -0.563 1
1 226 . 15 1 1 A 23 23 CYS N N 646 115.830 124.693 -8.863 1
1 227 . 15 1 1 A 23 23 CYS H H 646 8.137 8.746 -0.609 1
1 228 . 15 1 1 A 23 23 CYS CA C 646 56.600 58.281 -1.681 1
1 229 . 15 1 1 A 23 23 CYS HA H 646 5.813 6.314 -0.501 1
1 230 . 15 1 1 A 23 23 CYS CB C 646 30.951 28.890 2.061 1
1 233 . 15 1 1 A 24 24 PHE N N 647 116.053 120.799 -4.746 1
1 234 . 15 1 1 A 24 24 PHE H H 647 9.011 8.924 0.087 1
1 235 . 15 1 1 A 24 24 PHE CA C 647 56.827 56.936 -0.109 1
1 236 . 15 1 1 A 24 24 PHE HA H 647 5.910 4.846 1.064 1
1 237 . 15 1 1 A 24 24 PHE CB C 647 44.608 43.000 1.608 1
1 246 . 15 1 1 A 25 25 HIS N N 648 120.957 121.963 -1.006 1
1 247 . 15 1 1 A 25 25 HIS H H 648 8.427 9.085 -0.658 1
1 248 . 15 1 1 A 25 25 HIS CA C 648 58.971 56.610 2.361 1
1 249 . 15 1 1 A 25 25 HIS HA H 648 4.929 4.424 0.505 1
1 250 . 15 1 1 A 25 25 HIS CB C 648 31.178 29.866 1.312 1
1 257 . 15 1 1 A 26 26 LEU N N 649 123.176 117.012 6.164 1
1 258 . 15 1 1 A 26 26 LEU H H 649 9.369 7.958 1.411 1
1 259 . 15 1 1 A 26 26 LEU CA C 649 59.646 57.487 2.159 1
1 260 . 15 1 1 A 26 26 LEU HA H 649 3.829 3.665 0.164 1
1 261 . 15 1 1 A 26 26 LEU CB C 649 39.426 39.923 -0.497 1
1 274 . 15 1 1 A 27 27 ASP N N 650 109.058 118.564 -9.506 1
1 275 . 15 1 1 A 27 27 ASP H H 650 8.326 9.265 -0.939 1
1 276 . 15 1 1 A 27 27 ASP CA C 650 53.998 57.154 -3.156 1
1 277 . 15 1 1 A 27 27 ASP HA H 650 4.739 4.428 0.311 1
1 278 . 15 1 1 A 27 27 ASP CB C 650 40.331 40.471 -0.140 1
1 280 . 15 1 1 A 28 28 CYS N N 651 117.495 118.435 -0.940 1
1 281 . 15 1 1 A 28 28 CYS H H 651 7.480 8.292 -0.812 1
1 282 . 15 1 1 A 28 28 CYS CA C 651 61.534 62.752 -1.218 1
1 283 . 15 1 1 A 28 28 CYS HA H 651 4.245 4.541 -0.296 1
1 284 . 15 1 1 A 28 28 CYS CB C 651 31.646 27.355 4.291 1
1 286 . 15 1 1 A 29 29 HIS N N 652 116.384 122.138 -5.754 1
1 287 . 15 1 1 A 29 29 HIS H H 652 6.894 7.909 -1.015 1
1 288 . 15 1 1 A 29 29 HIS CA C 652 59.713 57.742 1.971 1
1 289 . 15 1 1 A 29 29 HIS HA H 652 3.644 4.879 -1.235 1
1 290 . 15 1 1 A 29 29 HIS CB C 652 27.909 30.875 -2.966 1
1 296 . 15 1 1 A 30 30 LEU N N 653 121.110 127.662 -6.552 1
1 297 . 15 1 1 A 30 30 LEU H H 653 4.525 8.275 -3.750 1
1 298 . 15 1 1 A 30 30 LEU CA C 653 51.439 59.100 -7.661 1
1 299 . 15 1 1 A 30 30 LEU HA H 653 4.515 3.295 1.220 1
1 300 . 15 1 1 A 30 30 LEU CB C 653 46.001 40.865 5.136 1
1 312 . 15 1 1 A 31 31 PRO CA C 654 62.964 63.764 -0.800 1
1 313 . 15 1 1 A 31 31 PRO HA H 654 4.471 4.277 0.194 1
1 314 . 15 1 1 A 31 31 PRO CB C 654 34.045 32.003 2.042 1
1 322 . 15 1 1 A 32 32 ALA N N 655 125.871 119.921 5.950 1
1 323 . 15 1 1 A 32 32 ALA H H 655 8.766 7.599 1.167 1
1 324 . 15 1 1 A 32 32 ALA CA C 655 52.771 52.725 0.046 1
1 325 . 15 1 1 A 32 32 ALA HA H 655 4.349 4.772 -0.423 1
1 326 . 15 1 1 A 32 32 ALA CB C 655 18.177 17.758 0.419 1
1 330 . 15 1 1 A 33 33 LEU N N 656 123.348 125.395 -2.047 1
1 331 . 15 1 1 A 33 33 LEU H H 656 8.230 8.404 -0.174 1
1 332 . 15 1 1 A 33 33 LEU CA C 656 54.014 57.179 -3.165 1
1 333 . 15 1 1 A 33 33 LEU HA H 656 4.445 3.910 0.535 1
1 334 . 15 1 1 A 33 33 LEU CB C 656 43.197 41.578 1.619 1
1 347 . 15 1 1 A 34 34 GLN N N 657 119.992 115.738 4.254 1
1 348 . 15 1 1 A 34 34 GLN H H 657 8.679 7.884 0.795 1
1 349 . 15 1 1 A 34 34 GLN CA C 657 56.354 57.472 -1.118 1
1 350 . 15 1 1 A 34 34 GLN HA H 657 4.159 4.009 0.150 1
1 351 . 15 1 1 A 34 34 GLN CB C 657 29.555 27.094 2.461 1
1 359 . 15 1 1 A 35 35 ASP N N 658 115.420 119.490 -4.070 1
1 360 . 15 1 1 A 35 35 ASP H H 658 7.457 7.918 -0.461 1
1 361 . 15 1 1 A 35 35 ASP CA C 658 51.696 53.998 -2.302 1
1 362 . 15 1 1 A 35 35 ASP HA H 658 4.626 4.811 -0.185 1
1 363 . 15 1 1 A 35 35 ASP CB C 658 43.431 43.041 0.390 1
1 366 . 15 1 1 A 36 36 VAL N N 659 122.099 123.933 -1.834 1
1 367 . 15 1 1 A 36 36 VAL H H 659 8.624 8.305 0.319 1
1 368 . 15 1 1 A 36 36 VAL CA C 659 60.994 61.183 -0.189 1
1 369 . 15 1 1 A 36 36 VAL HA H 659 3.752 3.884 -0.132 1
1 370 . 15 1 1 A 36 36 VAL CB C 659 32.087 31.722 0.365 1
1 380 . 15 1 1 A 37 37 PRO CA C 660 62.728 63.647 -0.919 1
1 381 . 15 1 1 A 37 37 PRO HA H 660 4.454 4.347 0.107 1
1 382 . 15 1 1 A 37 37 PRO CB C 660 32.835 31.922 0.913 1
1 391 . 15 1 1 A 38 38 GLY N N 661 106.940 110.037 -3.097 1
1 392 . 15 1 1 A 38 38 GLY H H 661 8.189 8.592 -0.403 1
1 393 . 15 1 1 A 38 38 GLY CA C 661 44.397 45.606 -1.209 1
1 394 . 15 1 1 A 38 38 GLY HA3 H 661 3.969 4.007 -0.038 1
1 395 . 15 1 1 A 38 38 GLY HA2 H 661 4.190 3.995 0.195 1
1 396 . 15 1 1 A 39 39 GLU N N 662 117.365 119.627 -2.262 1
1 397 . 15 1 1 A 39 39 GLU H H 662 8.281 8.077 0.204 1
1 398 . 15 1 1 A 39 39 GLU CA C 662 57.520 56.401 1.119 1
1 399 . 15 1 1 A 39 39 GLU HA H 662 4.281 4.741 -0.460 1
1 400 . 15 1 1 A 39 39 GLU CB C 662 30.013 31.245 -1.232 1
1 405 . 15 1 1 A 40 40 GLU N N 663 117.986 120.115 -2.129 1
1 406 . 15 1 1 A 40 40 GLU H H 663 8.697 8.410 0.287 1
1 407 . 15 1 1 A 40 40 GLU CA C 663 56.389 55.858 0.531 1
1 408 . 15 1 1 A 40 40 GLU HA H 663 4.293 4.632 -0.339 1
1 409 . 15 1 1 A 40 40 GLU CB C 663 28.787 29.604 -0.817 1
1 414 . 15 1 1 A 41 41 TRP N N 664 124.391 125.461 -1.070 1
1 415 . 15 1 1 A 41 41 TRP H H 664 7.967 7.895 0.072 1
1 416 . 15 1 1 A 41 41 TRP CA C 664 59.934 59.132 0.802 1
1 417 . 15 1 1 A 41 41 TRP HA H 664 4.312 4.632 -0.320 1
1 418 . 15 1 1 A 41 41 TRP CB C 664 29.998 30.257 -0.259 1
1 432 . 15 1 1 A 42 42 SER N N 665 120.355 118.616 1.739 1
1 433 . 15 1 1 A 42 42 SER H H 665 6.873 8.369 -1.496 1
1 434 . 15 1 1 A 42 42 SER CA C 665 55.166 55.775 -0.609 1
1 435 . 15 1 1 A 42 42 SER HA H 665 5.259 4.880 0.379 1
1 436 . 15 1 1 A 42 42 SER CB C 665 65.990 65.112 0.878 1
1 439 . 15 1 1 A 43 43 CYS N N 666 125.642 121.849 3.793 1
1 440 . 15 1 1 A 43 43 CYS H H 666 9.271 8.202 1.069 1
1 441 . 15 1 1 A 43 43 CYS CA C 666 57.325 58.797 -1.472 1
1 442 . 15 1 1 A 43 43 CYS HA H 666 3.952 3.080 0.872 1
1 443 . 15 1 1 A 43 43 CYS CB C 666 34.022 28.000 6.022 1
1 446 . 15 1 1 A 44 44 SER N N 667 117.158 118.834 -1.676 1
1 447 . 15 1 1 A 44 44 SER H H 667 7.068 8.870 -1.802 1
1 448 . 15 1 1 A 44 44 SER CA C 667 61.353 62.131 -0.778 1
1 449 . 15 1 1 A 44 44 SER HA H 667 4.225 4.035 0.190 1
1 450 . 15 1 1 A 44 44 SER CB C 667 63.693 62.959 0.734 1
1 453 . 15 1 1 A 45 45 LEU N N 668 120.667 119.760 0.907 1
1 454 . 15 1 1 A 45 45 LEU H H 668 8.965 7.673 1.292 1
1 455 . 15 1 1 A 45 45 LEU CA C 668 57.416 56.388 1.028 1
1 456 . 15 1 1 A 45 45 LEU HA H 668 4.178 4.045 0.133 1
1 457 . 15 1 1 A 45 45 LEU CB C 668 40.611 41.600 -0.989 1
1 470 . 15 1 1 A 46 46 CYS N N 669 121.872 115.924 5.948 1
1 471 . 15 1 1 A 46 46 CYS H H 669 7.816 8.380 -0.564 1
1 472 . 15 1 1 A 46 46 CYS CA C 669 62.557 59.424 3.133 1
1 473 . 15 1 1 A 46 46 CYS HA H 669 3.969 4.329 -0.360 1
1 474 . 15 1 1 A 46 46 CYS CB C 669 30.467 30.399 0.068 1
1 477 . 15 1 1 A 47 47 HIS N N 670 119.396 120.010 -0.614 1
1 478 . 15 1 1 A 47 47 HIS H H 670 8.077 7.949 0.128 1
1 479 . 15 1 1 A 47 47 HIS CA C 670 55.625 54.502 1.123 1
1 480 . 15 1 1 A 47 47 HIS HA H 670 4.429 4.663 -0.234 1
1 481 . 15 1 1 A 47 47 HIS CB C 670 30.326 30.434 -0.108 1
1 488 . 15 1 1 A 48 48 VAL N N 671 123.528 120.390 3.138 1
1 489 . 15 1 1 A 48 48 VAL H H 671 7.978 7.127 0.851 1
1 490 . 15 1 1 A 48 48 VAL CA C 671 62.120 62.853 -0.733 1
1 491 . 15 1 1 A 48 48 VAL HA H 671 3.925 4.463 -0.538 1
1 492 . 15 1 1 A 48 48 VAL CB C 671 32.396 32.458 -0.062 1
1 502 . 15 1 1 A 49 49 LEU N N 672 126.622 126.028 0.594 1
1 503 . 15 1 1 A 49 49 LEU H H 672 8.139 8.308 -0.169 1
1 504 . 15 1 1 A 49 49 LEU CA C 672 52.859 54.035 -1.176 1
1 505 . 15 1 1 A 49 49 LEU HA H 672 4.475 4.126 0.349 1
1 506 . 15 1 1 A 49 49 LEU CB C 672 41.536 41.864 -0.328 1
1 518 . 15 1 1 A 50 50 PRO CA C 673 62.715 65.025 -2.310 1
1 519 . 15 1 1 A 50 50 PRO HA H 673 4.386 4.261 0.125 1
1 520 . 15 1 1 A 50 50 PRO CB C 673 32.093 31.961 0.132 1
1 528 . 15 1 1 A 51 51 ASP N N 674 120.540 118.317 2.223 1
1 529 . 15 1 1 A 51 51 ASP H H 674 8.307 8.142 0.165 1
1 530 . 15 1 1 A 51 51 ASP CA C 674 54.202 55.521 -1.319 1
1 531 . 15 1 1 A 51 51 ASP HA H 674 4.564 4.312 0.252 1
1 532 . 15 1 1 A 51 51 ASP CB C 674 41.030 40.061 0.969 1
1 535 . 15 1 1 A 52 52 LEU N N 675 122.987 114.901 8.086 1
1 536 . 15 1 1 A 52 52 LEU H H 675 8.053 8.264 -0.211 1
1 537 . 15 1 1 A 52 52 LEU CA C 675 54.945 56.028 -1.083 1
1 538 . 15 1 1 A 52 52 LEU HA H 675 4.364 3.956 0.408 1
1 539 . 15 1 1 A 52 52 LEU CB C 675 42.436 39.745 2.691 1
1 551 . 15 1 1 A 53 53 LYS N N 676 122.061 119.289 2.772 1
1 552 . 15 1 1 A 53 53 LYS H H 676 8.340 8.131 0.209 1
1 553 . 15 1 1 A 53 53 LYS CA C 676 56.060 60.190 -4.130 1
1 554 . 15 1 1 A 53 53 LYS HA H 676 4.331 3.974 0.357 1
1 555 . 15 1 1 A 53 53 LYS CB C 676 32.363 32.180 0.183 1
1 564 . 15 1 1 A 54 54 GLU N N 677 121.909 116.111 5.798 1
1 565 . 15 1 1 A 54 54 GLU H H 677 8.403 7.974 0.429 1
1 566 . 15 1 1 A 54 54 GLU CA C 677 56.586 57.836 -1.250 1
1 567 . 15 1 1 A 54 54 GLU HA H 677 4.312 3.981 0.331 1
1 568 . 15 1 1 A 54 54 GLU CB C 677 30.221 27.692 2.529 1
1 573 . 15 1 1 A 55 55 GLU N N 678 121.528 119.132 2.396 1
1 574 . 15 1 1 A 55 55 GLU H H 678 8.486 7.724 0.762 1
1 575 . 15 1 1 A 55 55 GLU CA C 678 56.368 55.456 0.912 1
1 576 . 15 1 1 A 55 55 GLU HA H 678 4.315 4.517 -0.202 1
1 577 . 15 1 1 A 55 55 GLU CB C 678 28.896 30.939 -2.043 1
1 582 . 15 1 1 A 56 56 ASP N N 679 121.530 121.519 0.011 1
1 583 . 15 1 1 A 56 56 ASP H H 679 8.322 8.934 -0.612 1
1 584 . 15 1 1 A 56 56 ASP CA C 679 54.252 54.579 -0.327 1
1 585 . 15 1 1 A 56 56 ASP HA H 679 4.680 4.627 0.053 1
1 586 . 15 1 1 A 56 56 ASP CB C 679 41.146 40.872 0.274 1
1 588 . 15 1 1 A 57 57 GLY N N 680 109.997 108.857 1.140 1
1 589 . 15 1 1 A 57 57 GLY H H 680 8.412 8.637 -0.225 1
1 590 . 15 1 1 A 57 57 GLY CA C 680 45.247 45.700 -0.453 1
1 591 . 15 1 1 A 57 57 GLY HA2 H 680 4.020 3.961 0.059 1
1 592 . 15 1 1 A 58 58 SER N N 681 115.994 114.053 1.941 1
1 593 . 15 1 1 A 58 58 SER H H 681 8.280 8.129 0.151 1
1 594 . 15 1 1 A 58 58 SER CA C 681 58.239 58.325 -0.086 1
1 595 . 15 1 1 A 58 58 SER HA H 681 3.996 4.586 -0.590 1
1 596 . 15 1 1 A 58 58 SER CB C 681 63.789 65.959 -2.170 1
1 598 . 15 1 1 A 59 59 LEU N N 682 123.362 121.541 1.821 1
1 599 . 15 1 1 A 59 59 LEU H H 682 8.164 8.075 0.089 1
1 600 . 15 1 1 A 59 59 LEU CA C 682 55.160 55.549 -0.389 1
1 601 . 15 1 1 A 59 59 LEU HA H 682 4.427 4.000 0.427 1
1 602 . 15 1 1 A 59 59 LEU CB C 682 42.473 40.879 1.594 1
1 614 . 15 1 1 A 60 60 SER N N 683 116.385 120.953 -4.568 1
1 615 . 15 1 1 A 60 60 SER H H 683 8.226 8.182 0.044 1
1 616 . 15 1 1 A 60 60 SER CA C 683 58.004 57.545 0.459 1
1 617 . 15 1 1 A 60 60 SER HA H 683 4.517 4.758 -0.241 1
1 618 . 15 1 1 A 60 60 SER CB C 683 63.651 65.096 -1.445 1
1 620 . 15 1 1 A 61 61 LEU N N 684 124.466 118.621 5.845 1
1 621 . 15 1 1 A 61 61 LEU H H 684 8.303 8.010 0.293 1
1 622 . 15 1 1 A 61 61 LEU CA C 684 54.959 56.269 -1.310 1
1 623 . 15 1 1 A 61 61 LEU HA H 684 4.412 3.867 0.545 1
1 624 . 15 1 1 A 61 61 LEU CB C 684 41.713 40.384 1.329 1
1 635 . 15 1 1 A 62 62 ASP N N 685 120.536 119.032 1.504 1
1 636 . 15 1 1 A 62 62 ASP H H 685 8.267 8.042 0.225 1
1 637 . 15 1 1 A 62 62 ASP CA C 685 54.276 56.003 -1.727 1
1 638 . 15 1 1 A 62 62 ASP HA H 685 4.680 4.279 0.401 1
1 639 . 15 1 1 A 62 62 ASP CB C 685 41.125 40.593 0.532 1
1 642 . 15 1 1 A 63 63 GLY N N 686 109.373 114.665 -5.292 1
1 643 . 15 1 1 A 63 63 GLY H H 686 8.277 8.870 -0.593 1
1 644 . 15 1 1 A 63 63 GLY CA C 686 45.297 45.782 -0.485 1
1 645 . 15 1 1 A 63 63 GLY HA2 H 686 3.992 3.860 0.132 1
1 646 . 15 1 1 A 64 64 ALA N N 687 123.584 122.657 0.927 1
1 647 . 15 1 1 A 64 64 ALA H H 687 8.129 8.176 -0.047 1
1 648 . 15 1 1 A 64 64 ALA CA C 687 52.637 53.006 -0.369 1
1 649 . 15 1 1 A 64 64 ALA HA H 687 4.379 4.527 -0.148 1
1 650 . 15 1 1 A 64 64 ALA CB C 687 19.122 19.622 -0.500 1
1 654 . 15 1 1 A 65 65 ASP N N 688 118.924 119.274 -0.350 1
1 655 . 15 1 1 A 65 65 ASP H H 688 8.326 8.250 0.076 1
1 656 . 15 1 1 A 65 65 ASP CA C 688 53.972 54.376 -0.404 1
1 657 . 15 1 1 A 65 65 ASP HA H 688 4.682 4.680 0.002 1
1 658 . 15 1 1 A 65 65 ASP CB C 688 41.061 39.690 1.371 1
1 660 . 15 1 1 A 66 66 SER N N 689 116.036 119.264 -3.228 1
1 661 . 15 1 1 A 66 66 SER H H 689 8.285 8.416 -0.131 1
1 662 . 15 1 1 A 66 66 SER CA C 689 58.352 59.310 -0.958 1
1 663 . 15 1 1 A 66 66 SER HA H 689 4.443 4.706 -0.263 1
1 664 . 15 1 1 A 66 66 SER CB C 689 63.665 65.962 -2.297 1
1 666 . 15 1 1 A 67 67 THR N N 690 115.059 108.710 6.349 1
1 667 . 15 1 1 A 67 67 THR H H 690 8.253 8.097 0.156 1
1 668 . 15 1 1 A 67 67 THR CA C 690 62.556 61.294 1.262 1
1 669 . 15 1 1 A 67 67 THR HA H 690 4.379 4.430 -0.051 1
1 670 . 15 1 1 A 67 67 THR CB C 690 69.623 69.160 0.463 1
1 676 . 15 1 1 A 68 68 GLY N N 691 111.091 109.374 1.717 1
1 677 . 15 1 1 A 68 68 GLY H H 691 8.366 7.986 0.380 1
1 678 . 15 1 1 A 68 68 GLY CA C 691 45.297 45.133 0.164 1
1 679 . 15 1 1 A 68 68 GLY HA2 H 691 4.002 3.958 0.044 1
1 680 . 15 1 1 A 69 69 VAL N N 692 119.280 121.098 -1.818 1
1 681 . 15 1 1 A 69 69 VAL H H 692 7.876 8.289 -0.413 1
1 682 . 15 1 1 A 69 69 VAL CA C 692 62.068 63.069 -1.001 1
1 683 . 15 1 1 A 69 69 VAL HA H 692 4.176 3.805 0.371 1
1 684 . 15 1 1 A 69 69 VAL CB C 692 32.322 30.279 2.043 1
1 690 . 15 1 1 A 70 70 VAL N N 693 123.601 127.624 -4.023 1
1 691 . 15 1 1 A 70 70 VAL H H 693 8.102 8.037 0.065 1
1 692 . 15 1 1 A 70 70 VAL CA C 693 61.886 63.026 -1.140 1
1 693 . 15 1 1 A 70 70 VAL HA H 693 4.150 4.349 -0.199 1
1 694 . 15 1 1 A 70 70 VAL CB C 693 32.429 34.207 -1.778 1
1 700 . 15 1 1 A 71 71 ALA N N 694 129.048 123.618 5.430 1
1 701 . 15 1 1 A 71 71 ALA H H 694 8.374 7.906 0.468 1
1 702 . 15 1 1 A 71 71 ALA CA C 694 52.125 52.834 -0.709 1
1 703 . 15 1 1 A 71 71 ALA HA H 694 4.454 3.974 0.480 1
1 704 . 15 1 1 A 71 71 ALA CB C 694 19.203 17.503 1.700 1
1 708 . 15 1 1 A 72 72 LYS N N 695 118.535 118.398 0.137 1
1 709 . 15 1 1 A 72 72 LYS H H 695 7.833 7.920 -0.087 1
1 710 . 15 1 1 A 72 72 LYS CA C 695 54.556 59.028 -4.472 1
1 711 . 15 1 1 A 72 72 LYS HA H 695 4.827 3.992 0.835 1
1 712 . 15 1 1 A 72 72 LYS CB C 695 35.245 32.175 3.070 1
1 722 . 15 1 1 A 73 73 LEU N N 696 121.834 121.427 0.407 1
1 723 . 15 1 1 A 73 73 LEU H H 696 8.772 7.976 0.796 1
1 724 . 15 1 1 A 73 73 LEU CA C 696 54.973 57.457 -2.484 1
1 725 . 15 1 1 A 73 73 LEU HA H 696 4.268 4.172 0.096 1
1 726 . 15 1 1 A 73 73 LEU CB C 696 42.467 43.101 -0.634 1
1 739 . 15 1 1 A 74 74 SER N N 697 121.120 113.655 7.465 1
1 740 . 15 1 1 A 74 74 SER H H 697 8.890 7.668 1.222 1
1 741 . 15 1 1 A 74 74 SER CA C 697 56.165 57.456 -1.291 1
1 742 . 15 1 1 A 74 74 SER HA H 697 4.710 4.502 0.208 1
1 743 . 15 1 1 A 74 74 SER CB C 697 62.177 65.710 -3.533 1
1 745 . 15 1 1 A 75 75 PRO CA C 698 66.251 65.130 1.121 1
1 746 . 15 1 1 A 75 75 PRO HA H 698 4.350 4.433 -0.083 1
1 747 . 15 1 1 A 75 75 PRO CB C 698 31.661 31.853 -0.192 1
1 755 . 15 1 1 A 76 76 ALA N N 699 117.914 119.670 -1.756 1
1 756 . 15 1 1 A 76 76 ALA H H 699 8.458 8.155 0.303 1
1 757 . 15 1 1 A 76 76 ALA CA C 699 55.000 55.116 -0.116 1
1 758 . 15 1 1 A 76 76 ALA HA H 699 4.132 4.148 -0.016 1
1 759 . 15 1 1 A 76 76 ALA CB C 699 18.785 18.933 -0.148 1
1 763 . 15 1 1 A 77 77 ASN N N 700 116.945 116.573 0.372 1
1 764 . 15 1 1 A 77 77 ASN H H 700 7.760 8.193 -0.433 1
1 765 . 15 1 1 A 77 77 ASN CA C 700 55.210 56.186 -0.976 1
1 766 . 15 1 1 A 77 77 ASN HA H 700 4.763 4.620 0.143 1
1 767 . 15 1 1 A 77 77 ASN CB C 700 38.005 38.178 -0.173 1
1 770 . 15 1 1 A 78 78 GLN N N 701 124.719 119.290 5.429 1
1 771 . 15 1 1 A 78 78 GLN H H 701 9.480 8.840 0.640 1
1 772 . 15 1 1 A 78 78 GLN CA C 701 59.634 59.047 0.587 1
1 773 . 15 1 1 A 78 78 GLN HA H 701 3.673 4.402 -0.729 1
1 774 . 15 1 1 A 78 78 GLN CB C 701 27.114 28.494 -1.380 1
1 782 . 15 1 1 A 79 79 ARG N N 702 117.069 119.070 -2.001 1
1 783 . 15 1 1 A 79 79 ARG H H 702 7.654 7.991 -0.337 1
1 784 . 15 1 1 A 79 79 ARG CA C 702 57.561 59.226 -1.665 1
1 785 . 15 1 1 A 79 79 ARG HA H 702 4.487 4.093 0.394 1
1 786 . 15 1 1 A 79 79 ARG CB C 702 29.680 29.962 -0.282 1
1 794 . 15 1 1 A 80 80 LYS N N 703 119.251 119.248 0.003 1
1 795 . 15 1 1 A 80 80 LYS H H 703 7.636 8.065 -0.429 1
1 796 . 15 1 1 A 80 80 LYS CA C 703 60.735 58.980 1.755 1
1 797 . 15 1 1 A 80 80 LYS HA H 703 3.702 4.185 -0.483 1
1 798 . 15 1 1 A 80 80 LYS CB C 703 34.002 32.180 1.822 1
1 808 . 15 1 1 A 81 81 CYS N N 704 115.848 118.513 -2.665 1
1 809 . 15 1 1 A 81 81 CYS H H 704 8.031 8.465 -0.434 1
1 810 . 15 1 1 A 81 81 CYS CA C 704 64.823 61.800 3.023 1
1 811 . 15 1 1 A 81 81 CYS HA H 704 3.687 4.231 -0.544 1
1 812 . 15 1 1 A 81 81 CYS CB C 704 26.491 26.523 -0.032 1
1 815 . 15 1 1 A 82 82 GLU N N 705 118.931 120.909 -1.978 1
1 816 . 15 1 1 A 82 82 GLU H H 705 8.286 7.822 0.464 1
1 817 . 15 1 1 A 82 82 GLU CA C 705 59.887 59.138 0.749 1
1 818 . 15 1 1 A 82 82 GLU HA H 705 3.589 3.983 -0.394 1
1 819 . 15 1 1 A 82 82 GLU CB C 705 29.067 29.185 -0.118 1
1 825 . 15 1 1 A 83 83 ARG N N 706 119.029 119.486 -0.457 1
1 826 . 15 1 1 A 83 83 ARG H H 706 7.931 7.895 0.036 1
1 827 . 15 1 1 A 83 83 ARG CA C 706 60.133 58.929 1.204 1
1 828 . 15 1 1 A 83 83 ARG HA H 706 3.748 4.193 -0.445 1
1 829 . 15 1 1 A 83 83 ARG CB C 706 30.197 29.726 0.471 1
1 838 . 15 1 1 A 84 84 VAL N N 707 119.247 120.248 -1.001 1
1 839 . 15 1 1 A 84 84 VAL H H 707 7.762 8.079 -0.317 1
1 840 . 15 1 1 A 84 84 VAL CA C 707 67.133 65.566 1.567 1
1 841 . 15 1 1 A 84 84 VAL HA H 707 3.562 4.020 -0.458 1
1 842 . 15 1 1 A 84 84 VAL CB C 707 31.857 32.043 -0.186 1
1 852 . 15 1 1 A 85 85 LEU N N 708 119.414 119.802 -0.388 1
1 853 . 15 1 1 A 85 85 LEU H H 708 8.844 8.764 0.080 1
1 854 . 15 1 1 A 85 85 LEU CA C 708 57.561 58.576 -1.015 1
1 855 . 15 1 1 A 85 85 LEU HA H 708 4.366 4.218 0.148 1
1 856 . 15 1 1 A 85 85 LEU CB C 708 41.320 41.927 -0.607 1
1 869 . 15 1 1 A 86 86 LEU N N 709 120.156 120.524 -0.368 1
1 870 . 15 1 1 A 86 86 LEU H H 709 9.044 8.390 0.654 1
1 871 . 15 1 1 A 86 86 LEU CA C 709 57.977 58.051 -0.074 1
1 872 . 15 1 1 A 86 86 LEU HA H 709 4.382 4.128 0.254 1
1 873 . 15 1 1 A 86 86 LEU CB C 709 41.069 41.959 -0.890 1
1 886 . 15 1 1 A 87 87 ALA N N 710 121.264 120.646 0.618 1
1 887 . 15 1 1 A 87 87 ALA H H 710 8.136 8.473 -0.337 1
1 888 . 15 1 1 A 87 87 ALA CA C 710 55.439 55.834 -0.395 1
1 889 . 15 1 1 A 87 87 ALA HA H 710 4.217 4.528 -0.311 1
1 890 . 15 1 1 A 87 87 ALA CB C 710 17.525 19.072 -1.547 1
1 894 . 15 1 1 A 88 88 LEU N N 711 117.148 118.217 -1.069 1
1 895 . 15 1 1 A 88 88 LEU H H 711 8.158 9.196 -1.038 1
1 896 . 15 1 1 A 88 88 LEU CA C 711 58.688 57.717 0.971 1
1 897 . 15 1 1 A 88 88 LEU HA H 711 4.401 3.237 1.164 1
1 898 . 15 1 1 A 88 88 LEU CB C 711 41.534 42.132 -0.598 1
1 911 . 15 1 1 A 89 89 PHE N N 712 117.048 117.361 -0.313 1
1 912 . 15 1 1 A 89 89 PHE H H 712 8.536 9.329 -0.793 1
1 913 . 15 1 1 A 89 89 PHE CA C 712 62.732 61.534 1.198 1
1 914 . 15 1 1 A 89 89 PHE HA H 712 3.971 4.938 -0.967 1
1 915 . 15 1 1 A 89 89 PHE CB C 712 40.351 39.251 1.100 1
1 922 . 15 1 1 A 90 90 CYS N N 713 111.682 117.913 -6.231 1
1 923 . 15 1 1 A 90 90 CYS H H 713 7.689 8.669 -0.980 1
1 924 . 15 1 1 A 90 90 CYS CA C 713 60.573 63.098 -2.525 1
1 925 . 15 1 1 A 90 90 CYS HA H 713 4.614 3.905 0.709 1
1 926 . 15 1 1 A 90 90 CYS CB C 713 28.820 27.130 1.690 1
1 929 . 15 1 1 A 91 91 HIS N N 714 123.036 116.695 6.341 1
1 930 . 15 1 1 A 91 91 HIS H H 714 7.517 7.759 -0.242 1
1 931 . 15 1 1 A 91 91 HIS CA C 714 54.945 54.965 -0.020 1
1 932 . 15 1 1 A 91 91 HIS HA H 714 4.939 4.446 0.493 1
1 933 . 15 1 1 A 91 91 HIS CB C 714 31.433 31.372 0.061 1
1 940 . 15 1 1 A 92 92 GLU CA C 715 61.506 61.134 0.372 1
1 941 . 15 1 1 A 92 92 GLU HA H 715 4.052 3.962 0.090 1
1 942 . 15 1 1 A 92 92 GLU CB C 715 26.765 29.020 -2.255 1
1 947 . 15 1 1 A 93 93 PRO CA C 716 65.272 65.825 -0.553 1
1 948 . 15 1 1 A 93 93 PRO HA H 716 4.294 4.400 -0.106 1
1 949 . 15 1 1 A 93 93 PRO CB C 716 31.486 30.813 0.673 1
1 958 . 15 1 1 A 94 94 CYS N N 717 110.309 115.658 -5.349 1
1 959 . 15 1 1 A 94 94 CYS H H 717 7.667 8.526 -0.859 1
1 960 . 15 1 1 A 94 94 CYS CA C 717 58.484 62.298 -3.814 1
1 961 . 15 1 1 A 94 94 CYS HA H 717 4.406 4.275 0.131 1
1 962 . 15 1 1 A 94 94 CYS CB C 717 28.612 27.553 1.059 1
1 965 . 15 1 1 A 95 95 ARG N N 718 122.655 120.230 2.425 1
1 966 . 15 1 1 A 95 95 ARG H H 718 7.928 8.221 -0.293 1
1 967 . 15 1 1 A 95 95 ARG CA C 718 60.829 60.669 0.160 1
1 968 . 15 1 1 A 95 95 ARG HA H 718 3.740 3.518 0.222 1
1 969 . 15 1 1 A 95 95 ARG CB C 718 28.131 29.225 -1.094 1
1 977 . 15 1 1 A 96 96 PRO CA C 719 65.328 66.136 -0.808 1
1 978 . 15 1 1 A 96 96 PRO HA H 719 4.456 4.014 0.442 1
1 979 . 15 1 1 A 96 96 PRO CB C 719 31.665 30.112 1.553 1
1 987 . 15 1 1 A 97 97 LEU N N 720 112.429 117.154 -4.725 1
1 988 . 15 1 1 A 97 97 LEU H H 720 7.720 6.967 0.753 1
1 989 . 15 1 1 A 97 97 LEU CA C 720 54.707 57.417 -2.710 1
1 990 . 15 1 1 A 97 97 LEU HA H 720 4.228 3.655 0.573 1
1 991 . 15 1 1 A 97 97 LEU CB C 720 40.391 41.553 -1.162 1
1 1004 . 15 1 1 A 98 98 HIS N N 721 118.891 116.580 2.311 1
1 1005 . 15 1 1 A 98 98 HIS H H 721 7.964 8.659 -0.695 1
1 1006 . 15 1 1 A 98 98 HIS CA C 721 60.901 57.890 3.011 1
1 1007 . 15 1 1 A 98 98 HIS HA H 721 4.190 4.233 -0.043 1
1 1008 . 15 1 1 A 98 98 HIS CB C 721 31.678 29.521 2.157 1
1 1015 . 15 1 1 A 99 99 GLN N N 722 116.787 116.398 0.389 1
1 1016 . 15 1 1 A 99 99 GLN H H 722 8.090 7.661 0.429 1
1 1017 . 15 1 1 A 99 99 GLN CA C 722 55.180 54.589 0.591 1
1 1018 . 15 1 1 A 99 99 GLN HA H 722 4.808 4.626 0.182 1
1 1019 . 15 1 1 A 99 99 GLN CB C 722 30.690 30.535 0.155 1
1 1024 . 15 1 1 A 100 100 LEU H H 723 9.277 8.808 0.469 1
1 1025 . 15 1 1 A 100 100 LEU CA C 723 55.397 55.694 -0.297 1
1 1026 . 15 1 1 A 100 100 LEU HA H 723 4.566 4.490 0.076 1
1 1027 . 15 1 1 A 100 100 LEU CB C 723 43.862 44.581 -0.719 1
1 1040 . 15 1 1 A 101 101 ALA N N 724 123.211 121.660 1.551 1
1 1041 . 15 1 1 A 101 101 ALA H H 724 8.577 7.755 0.822 1
1 1042 . 15 1 1 A 101 101 ALA CA C 724 52.591 51.012 1.579 1
1 1043 . 15 1 1 A 101 101 ALA HA H 724 4.392 4.431 -0.039 1
1 1044 . 15 1 1 A 101 101 ALA CB C 724 19.262 20.026 -0.764 1
1 1048 . 15 1 1 A 102 102 THR N N 725 112.189 111.057 1.132 1
1 1049 . 15 1 1 A 102 102 THR H H 725 8.069 8.280 -0.211 1
1 1050 . 15 1 1 A 102 102 THR CA C 725 61.802 60.736 1.066 1
1 1051 . 15 1 1 A 102 102 THR HA H 725 4.366 4.701 -0.335 1
1 1052 . 15 1 1 A 102 102 THR CB C 725 69.684 69.219 0.465 1
1 1058 . 15 1 1 A 103 103 ASP N N 726 121.846 123.726 -1.880 1
1 1059 . 15 1 1 A 103 103 ASP H H 726 8.195 8.241 -0.046 1
1 1060 . 15 1 1 A 103 103 ASP CA C 726 54.057 57.174 -3.117 1
1 1061 . 15 1 1 A 103 103 ASP HA H 726 4.681 4.483 0.198 1
1 1062 . 15 1 1 A 103 103 ASP CB C 726 41.228 40.312 0.916 1
1 1064 . 15 1 1 A 104 104 SER N N 727 116.230 116.022 0.208 1
1 1065 . 15 1 1 A 104 104 SER H H 727 8.260 8.325 -0.065 1
1 1066 . 15 1 1 A 104 104 SER CA C 727 58.945 59.036 -0.091 1
1 1067 . 15 1 1 A 104 104 SER HA H 727 4.468 4.225 0.243 1
1 1068 . 15 1 1 A 104 104 SER CB C 727 63.856 60.935 2.921 1
1 1070 . 15 1 1 A 105 105 THR N N 728 115.362 108.805 6.557 1
1 1071 . 15 1 1 A 105 105 THR H H 728 8.205 8.366 -0.161 1
1 1072 . 15 1 1 A 105 105 THR CA C 728 62.744 62.523 0.221 1
1 1073 . 15 1 1 A 105 105 THR HA H 728 4.238 4.069 0.169 1
1 1074 . 15 1 1 A 105 105 THR CB C 728 69.490 66.686 2.804 1
1 1080 . 15 1 1 A 106 106 PHE N N 729 121.735 121.986 -0.251 1
1 1081 . 15 1 1 A 106 106 PHE H H 729 8.047 8.054 -0.007 1
1 1082 . 15 1 1 A 106 106 PHE CA C 729 57.966 58.130 -0.164 1
1 1083 . 15 1 1 A 106 106 PHE HA H 729 4.626 4.742 -0.116 1
1 1084 . 15 1 1 A 106 106 PHE CB C 729 39.633 41.466 -1.833 1
1 1090 . 15 1 1 A 107 107 SER N N 730 116.751 114.419 2.332 1
1 1091 . 15 1 1 A 107 107 SER H H 730 7.962 8.464 -0.502 1
1 1092 . 15 1 1 A 107 107 SER CA C 730 57.921 61.534 -3.613 1
1 1093 . 15 1 1 A 107 107 SER HA H 730 4.413 4.396 0.017 1
1 1094 . 15 1 1 A 107 107 SER CB C 730 63.659 63.267 0.392 1
1 1097 . 15 1 1 A 108 108 LEU N N 731 123.373 120.481 2.892 1
1 1098 . 15 1 1 A 108 108 LEU H H 731 8.212 7.978 0.234 1
1 1099 . 15 1 1 A 108 108 LEU CA C 731 55.650 57.297 -1.647 1
1 1100 . 15 1 1 A 108 108 LEU HA H 731 4.265 4.234 0.031 1
1 1101 . 15 1 1 A 108 108 LEU CB C 731 42.257 41.819 0.438 1
1 1113 . 15 1 1 A 109 109 ASP N N 732 118.496 120.462 -1.966 1
1 1114 . 15 1 1 A 109 109 ASP H H 732 8.172 8.418 -0.246 1
1 1115 . 15 1 1 A 109 109 ASP CA C 732 54.239 53.263 0.976 1
1 1116 . 15 1 1 A 109 109 ASP HA H 732 4.566 4.915 -0.349 1
1 1117 . 15 1 1 A 109 109 ASP CB C 732 41.124 42.503 -1.379 1
1 1120 . 15 1 1 A 110 110 GLN N N 733 119.403 120.839 -1.436 1
1 1121 . 15 1 1 A 110 110 GLN H H 733 7.707 7.684 0.023 1
1 1122 . 15 1 1 A 110 110 GLN CA C 733 53.251 54.139 -0.888 1
1 1123 . 15 1 1 A 110 110 GLN HA H 733 4.675 3.770 0.905 1
1 1124 . 15 1 1 A 110 110 GLN CB C 733 29.061 29.592 -0.531 1
1 1129 . 15 1 1 A 111 111 PRO CA C 734 63.869 62.688 1.181 1
1 1130 . 15 1 1 A 111 111 PRO HA H 734 4.435 4.448 -0.013 1
1 1131 . 15 1 1 A 111 111 PRO CB C 734 31.900 29.582 2.318 1
1 1139 . 15 1 1 A 112 112 GLY N N 735 109.783 109.821 -0.038 1
1 1140 . 15 1 1 A 112 112 GLY H H 735 8.510 8.021 0.489 1
1 1141 . 15 1 1 A 112 112 GLY CA C 735 44.954 45.342 -0.388 1
1 1142 . 15 1 1 A 112 112 GLY HA3 H 735 3.903 3.926 -0.023 1
1 1143 . 15 1 1 A 112 112 GLY HA2 H 735 3.994 3.921 0.073 1
1 1144 . 15 1 1 A 113 113 GLY N N 736 108.485 108.162 0.323 1
1 1145 . 15 1 1 A 113 113 GLY H H 736 8.138 8.084 0.054 1
1 1146 . 15 1 1 A 113 113 GLY CA C 736 44.755 46.897 -2.142 1
1 1147 . 15 1 1 A 113 113 GLY HA3 H 736 3.899 3.947 -0.048 1
1 1148 . 15 1 1 A 113 113 GLY HA2 H 736 3.964 3.939 0.025 1
1 1149 . 15 1 1 A 114 114 THR N N 737 116.361 111.830 4.531 1
1 1150 . 15 1 1 A 114 114 THR H H 737 7.951 8.297 -0.346 1
1 1151 . 15 1 1 A 114 114 THR CA C 737 62.508 62.690 -0.182 1
1 1152 . 15 1 1 A 114 114 THR HA H 737 4.189 4.442 -0.253 1
1 1153 . 15 1 1 A 114 114 THR CB C 737 69.780 71.149 -1.369 1
1 1159 . 15 1 1 A 115 115 LEU N N 738 125.899 120.928 4.971 1
1 1160 . 15 1 1 A 115 115 LEU H H 738 8.575 7.976 0.599 1
1 1161 . 15 1 1 A 115 115 LEU CA C 738 54.534 55.484 -0.950 1
1 1162 . 15 1 1 A 115 115 LEU HA H 738 4.452 4.174 0.278 1
1 1163 . 15 1 1 A 115 115 LEU CB C 738 45.506 41.695 3.811 1
1 1176 . 15 1 1 A 116 116 ASP N N 739 115.416 122.553 -7.137 1
1 1177 . 15 1 1 A 116 116 ASP H H 739 6.819 8.584 -1.765 1
1 1178 . 15 1 1 A 116 116 ASP CA C 739 52.606 51.756 0.850 1
1 1179 . 15 1 1 A 116 116 ASP HA H 739 4.472 5.016 -0.544 1
1 1180 . 15 1 1 A 116 116 ASP CB C 739 42.811 42.397 0.414 1
1 1183 . 15 1 1 A 117 117 LEU N N 740 115.281 119.992 -4.711 1
1 1184 . 15 1 1 A 117 117 LEU H H 740 8.213 8.437 -0.224 1
1 1185 . 15 1 1 A 117 117 LEU CA C 740 57.750 58.027 -0.277 1
1 1186 . 15 1 1 A 117 117 LEU HA H 740 3.841 4.086 -0.245 1
1 1187 . 15 1 1 A 117 117 LEU CB C 740 42.005 41.635 0.370 1
1 1200 . 15 1 1 A 118 118 THR N N 741 116.995 115.034 1.961 1
1 1201 . 15 1 1 A 118 118 THR H H 741 8.152 7.686 0.466 1
1 1202 . 15 1 1 A 118 118 THR CA C 741 68.068 66.393 1.675 1
1 1203 . 15 1 1 A 118 118 THR HA H 741 4.054 4.283 -0.229 1
1 1204 . 15 1 1 A 118 118 THR CB C 741 68.392 68.342 0.050 1
1 1210 . 15 1 1 A 119 119 LEU N N 742 127.180 117.996 9.184 1
1 1211 . 15 1 1 A 119 119 LEU H H 742 8.804 7.768 1.036 1
1 1212 . 15 1 1 A 119 119 LEU CA C 742 58.460 57.336 1.124 1
1 1213 . 15 1 1 A 119 119 LEU HA H 742 4.214 4.190 0.024 1
1 1214 . 15 1 1 A 119 119 LEU CB C 742 42.491 42.031 0.460 1
1 1227 . 15 1 1 A 120 120 ILE N N 743 120.880 121.508 -0.628 1
1 1228 . 15 1 1 A 120 120 ILE H H 743 7.884 8.243 -0.359 1
1 1229 . 15 1 1 A 120 120 ILE CA C 743 65.546 65.774 -0.228 1
1 1230 . 15 1 1 A 120 120 ILE HA H 743 4.101 4.032 0.069 1
1 1231 . 15 1 1 A 120 120 ILE CB C 743 38.693 37.975 0.718 1
1 1244 . 15 1 1 A 121 121 ARG N N 744 119.772 120.880 -1.108 1
1 1245 . 15 1 1 A 121 121 ARG H H 744 8.792 8.881 -0.089 1
1 1246 . 15 1 1 A 121 121 ARG CA C 744 60.369 59.620 0.749 1
1 1247 . 15 1 1 A 121 121 ARG HA H 744 3.896 4.098 -0.202 1
1 1248 . 15 1 1 A 121 121 ARG CB C 744 30.241 30.295 -0.054 1
1 1257 . 15 1 1 A 122 122 ALA N N 745 120.978 120.296 0.682 1
1 1258 . 15 1 1 A 122 122 ALA H H 745 8.303 7.908 0.395 1
1 1259 . 15 1 1 A 122 122 ALA CA C 745 55.203 55.101 0.102 1
1 1260 . 15 1 1 A 122 122 ALA HA H 745 4.246 4.062 0.184 1
1 1261 . 15 1 1 A 122 122 ALA CB C 745 18.005 18.397 -0.392 1
1 1265 . 15 1 1 A 123 123 ARG N N 746 119.408 118.549 0.859 1
1 1266 . 15 1 1 A 123 123 ARG H H 746 8.224 8.070 0.154 1
1 1267 . 15 1 1 A 123 123 ARG CA C 746 59.895 59.168 0.727 1
1 1268 . 15 1 1 A 123 123 ARG HA H 746 4.335 3.907 0.428 1
1 1269 . 15 1 1 A 123 123 ARG CB C 746 29.768 29.593 0.175 1
1 1279 . 15 1 1 A 124 124 LEU N N 747 125.115 119.652 5.463 1
1 1280 . 15 1 1 A 124 124 LEU H H 747 9.029 8.403 0.626 1
1 1281 . 15 1 1 A 124 124 LEU CA C 747 57.559 57.832 -0.273 1
1 1282 . 15 1 1 A 124 124 LEU HA H 747 4.925 3.852 1.073 1
1 1283 . 15 1 1 A 124 124 LEU CB C 747 42.721 41.546 1.175 1
1 1296 . 15 1 1 A 125 125 GLN N N 748 114.117 116.185 -2.068 1
1 1297 . 15 1 1 A 125 125 GLN H H 748 8.418 7.669 0.749 1
1 1298 . 15 1 1 A 125 125 GLN CA C 748 55.664 57.397 -1.733 1
1 1299 . 15 1 1 A 125 125 GLN HA H 748 4.444 4.190 0.254 1
1 1300 . 15 1 1 A 125 125 GLN CB C 748 29.301 29.006 0.295 1
1 1309 . 15 1 1 A 126 126 GLU N N 749 113.381 115.840 -2.459 1
1 1310 . 15 1 1 A 126 126 GLU H H 749 7.978 7.738 0.240 1
1 1311 . 15 1 1 A 126 126 GLU CA C 749 57.789 55.704 2.085 1
1 1312 . 15 1 1 A 126 126 GLU HA H 749 4.156 5.311 -1.155 1
1 1313 . 15 1 1 A 126 126 GLU CB C 749 25.906 31.230 -5.324 1
1 1318 . 15 1 1 A 127 127 LYS N N 750 116.557 121.020 -4.463 1
1 1319 . 15 1 1 A 127 127 LYS H H 750 8.538 7.803 0.735 1
1 1320 . 15 1 1 A 127 127 LYS CA C 750 56.417 58.241 -1.824 1
1 1321 . 15 1 1 A 127 127 LYS HA H 750 4.344 4.105 0.239 1
1 1322 . 15 1 1 A 127 127 LYS CB C 750 33.029 32.253 0.776 1
1 1332 . 15 1 1 A 128 128 LEU N N 751 119.986 121.448 -1.462 1
1 1333 . 15 1 1 A 128 128 LEU H H 751 6.949 7.647 -0.698 1
1 1334 . 15 1 1 A 128 128 LEU CA C 751 53.476 56.802 -3.326 1
1 1335 . 15 1 1 A 128 128 LEU HA H 751 4.532 4.405 0.127 1
1 1336 . 15 1 1 A 128 128 LEU CB C 751 45.503 43.757 1.746 1
1 1349 . 15 1 1 A 129 129 SER N N 752 118.455 111.918 6.537 1
1 1350 . 15 1 1 A 129 129 SER H H 752 8.225 8.062 0.163 1
1 1351 . 15 1 1 A 129 129 SER CA C 752 56.129 56.121 0.008 1
1 1352 . 15 1 1 A 129 129 SER HA H 752 4.434 4.816 -0.382 1
1 1353 . 15 1 1 A 129 129 SER CB C 752 63.911 65.658 -1.747 1
1 1356 . 15 1 1 A 130 130 PRO CA C 753 61.355 61.751 -0.396 1
1 1357 . 15 1 1 A 130 130 PRO HA H 753 5.026 4.612 0.414 1
1 1358 . 15 1 1 A 130 130 PRO CB C 753 32.831 32.813 0.018 1
1 1366 . 15 1 1 A 131 131 PRO CA C 754 62.470 62.873 -0.403 1
1 1367 . 15 1 1 A 131 131 PRO HA H 754 4.651 4.454 0.197 1
1 1368 . 15 1 1 A 131 131 PRO CB C 754 32.403 32.287 0.116 1
1 1377 . 15 1 1 A 132 132 TYR N N 755 121.321 122.554 -1.233 1
1 1378 . 15 1 1 A 132 132 TYR H H 755 9.635 8.421 1.214 1
1 1379 . 15 1 1 A 132 132 TYR CA C 755 60.382 60.966 -0.584 1
1 1380 . 15 1 1 A 132 132 TYR HA H 755 4.433 4.224 0.209 1
1 1381 . 15 1 1 A 132 132 TYR CB C 755 38.713 39.106 -0.393 1
1 1388 . 15 1 1 A 133 133 SER N N 756 114.917 109.734 5.183 1
1 1389 . 15 1 1 A 133 133 SER H H 756 9.343 7.925 1.418 1
1 1390 . 15 1 1 A 133 133 SER CA C 756 58.776 57.972 0.804 1
1 1391 . 15 1 1 A 133 133 SER HA H 756 4.430 4.750 -0.320 1
1 1392 . 15 1 1 A 133 133 SER CB C 756 64.839 65.646 -0.807 1
1 1394 . 15 1 1 A 134 134 SER N N 757 112.021 115.367 -3.346 1
1 1395 . 15 1 1 A 134 134 SER H H 757 7.500 7.832 -0.332 1
1 1396 . 15 1 1 A 134 134 SER CA C 757 56.158 56.052 0.106 1
1 1397 . 15 1 1 A 134 134 SER HA H 757 4.950 4.667 0.283 1
1 1398 . 15 1 1 A 134 134 SER CB C 757 63.906 65.405 -1.499 1
1 1401 . 15 1 1 A 135 135 PRO CA C 758 64.159 65.690 -1.531 1
1 1402 . 15 1 1 A 135 135 PRO HA H 758 4.132 4.462 -0.330 1
1 1403 . 15 1 1 A 135 135 PRO CB C 758 31.649 31.882 -0.233 1
1 1412 . 15 1 1 A 136 136 GLN N N 759 116.382 116.206 0.176 1
1 1413 . 15 1 1 A 136 136 GLN H H 759 8.067 8.181 -0.114 1
1 1414 . 15 1 1 A 136 136 GLN CA C 759 59.483 58.039 1.444 1
1 1415 . 15 1 1 A 136 136 GLN HA H 759 3.963 4.152 -0.189 1
1 1416 . 15 1 1 A 136 136 GLN CB C 759 27.414 28.552 -1.138 1
1 1425 . 15 1 1 A 137 137 GLU N N 760 121.764 120.532 1.232 1
1 1426 . 15 1 1 A 137 137 GLU H H 760 7.826 8.682 -0.856 1
1 1427 . 15 1 1 A 137 137 GLU CA C 760 59.184 59.267 -0.083 1
1 1428 . 15 1 1 A 137 137 GLU HA H 760 4.063 3.903 0.160 1
1 1429 . 15 1 1 A 137 137 GLU CB C 760 30.403 29.207 1.196 1
1 1435 . 15 1 1 A 138 138 PHE N N 761 120.582 120.130 0.452 1
1 1436 . 15 1 1 A 138 138 PHE H H 761 6.900 7.523 -0.623 1
1 1437 . 15 1 1 A 138 138 PHE CA C 761 60.105 61.292 -1.187 1
1 1438 . 15 1 1 A 138 138 PHE HA H 761 3.604 3.415 0.189 1
1 1439 . 15 1 1 A 138 138 PHE CB C 761 38.271 39.383 -1.112 1
1 1448 . 15 1 1 A 139 139 ALA N N 762 120.917 120.246 0.671 1
1 1449 . 15 1 1 A 139 139 ALA H H 762 8.399 8.090 0.309 1
1 1450 . 15 1 1 A 139 139 ALA CA C 762 54.940 55.032 -0.092 1
1 1451 . 15 1 1 A 139 139 ALA HA H 762 3.804 3.719 0.085 1
1 1452 . 15 1 1 A 139 139 ALA CB C 762 18.001 18.419 -0.418 1
1 1456 . 15 1 1 A 140 140 GLN N N 763 119.041 117.256 1.785 1
1 1457 . 15 1 1 A 140 140 GLN H H 763 8.436 8.462 -0.026 1
1 1458 . 15 1 1 A 140 140 GLN CA C 763 58.474 58.774 -0.300 1
1 1459 . 15 1 1 A 140 140 GLN HA H 763 4.056 4.039 0.017 1
1 1460 . 15 1 1 A 140 140 GLN CB C 763 28.345 28.375 -0.030 1
1 1469 . 15 1 1 A 141 141 ASP N N 764 122.985 119.728 3.257 1
1 1470 . 15 1 1 A 141 141 ASP H H 764 7.694 7.897 -0.203 1
1 1471 . 15 1 1 A 141 141 ASP CA C 764 57.087 57.129 -0.042 1
1 1472 . 15 1 1 A 141 141 ASP HA H 764 4.517 4.379 0.138 1
1 1473 . 15 1 1 A 141 141 ASP CB C 764 39.897 40.621 -0.724 1
1 1476 . 15 1 1 A 142 142 VAL N N 765 119.630 119.444 0.186 1
1 1477 . 15 1 1 A 142 142 VAL H H 765 7.431 8.192 -0.761 1
1 1478 . 15 1 1 A 142 142 VAL CA C 765 66.489 65.742 0.747 1
1 1479 . 15 1 1 A 142 142 VAL HA H 765 2.740 3.704 -0.964 1
1 1480 . 15 1 1 A 142 142 VAL CB C 765 30.729 30.952 -0.223 1
1 1490 . 15 1 1 A 143 143 GLY N N 766 104.089 108.180 -4.091 1
1 1491 . 15 1 1 A 143 143 GLY H H 766 8.089 8.226 -0.137 1
1 1492 . 15 1 1 A 143 143 GLY CA C 766 47.271 46.367 0.904 1
1 1493 . 15 1 1 A 143 143 GLY HA3 H 766 3.783 3.596 0.187 1
1 1494 . 15 1 1 A 143 143 GLY HA2 H 766 3.870 3.168 0.702 1
1 1495 . 15 1 1 A 144 144 ARG N N 767 123.406 121.693 1.713 1
1 1496 . 15 1 1 A 144 144 ARG H H 767 8.270 8.761 -0.491 1
1 1497 . 15 1 1 A 144 144 ARG CA C 767 59.627 58.788 0.839 1
1 1498 . 15 1 1 A 144 144 ARG HA H 767 4.026 4.088 -0.062 1
1 1499 . 15 1 1 A 144 144 ARG CB C 767 30.003 30.385 -0.382 1
1 1507 . 15 1 1 A 145 145 MET N N 768 121.310 118.752 2.558 1
1 1508 . 15 1 1 A 145 145 MET H H 768 8.053 8.807 -0.754 1
1 1509 . 15 1 1 A 145 145 MET CA C 768 58.727 59.050 -0.323 1
1 1510 . 15 1 1 A 145 145 MET HA H 768 3.932 4.903 -0.971 1
1 1511 . 15 1 1 A 145 145 MET CB C 768 31.536 32.216 -0.680 1
1 1521 . 15 1 1 A 146 146 PHE N N 769 117.125 117.781 -0.656 1
1 1522 . 15 1 1 A 146 146 PHE H H 769 8.005 8.982 -0.977 1
1 1523 . 15 1 1 A 146 146 PHE CA C 769 59.441 61.356 -1.915 1
1 1524 . 15 1 1 A 146 146 PHE HA H 769 4.582 4.302 0.280 1
1 1525 . 15 1 1 A 146 146 PHE CB C 769 37.558 38.283 -0.725 1
1 1534 . 15 1 1 A 147 147 LYS N N 770 119.226 119.237 -0.011 1
1 1535 . 15 1 1 A 147 147 LYS H H 770 8.078 8.120 -0.042 1
1 1536 . 15 1 1 A 147 147 LYS CA C 770 59.479 59.851 -0.372 1
1 1537 . 15 1 1 A 147 147 LYS HA H 770 4.153 3.964 0.189 1
1 1538 . 15 1 1 A 147 147 LYS CB C 770 32.336 32.388 -0.052 1
1 1547 . 15 1 1 A 148 148 GLN N N 771 118.870 118.357 0.513 1
1 1548 . 15 1 1 A 148 148 GLN H H 771 8.338 8.365 -0.027 1
1 1549 . 15 1 1 A 148 148 GLN CA C 771 58.440 58.829 -0.389 1
1 1550 . 15 1 1 A 148 148 GLN HA H 771 4.140 4.171 -0.031 1
1 1551 . 15 1 1 A 148 148 GLN CB C 771 28.382 28.437 -0.055 1
1 1560 . 15 1 1 A 149 149 PHE N N 772 120.162 121.426 -1.264 1
1 1561 . 15 1 1 A 149 149 PHE H H 772 8.411 8.274 0.137 1
1 1562 . 15 1 1 A 149 149 PHE CA C 772 60.460 61.223 -0.763 1
1 1563 . 15 1 1 A 149 149 PHE HA H 772 4.433 4.096 0.337 1
1 1564 . 15 1 1 A 149 149 PHE CB C 772 39.428 39.188 0.240 1
1 1573 . 15 1 1 A 150 150 ASN N N 773 117.836 117.110 0.726 1
1 1574 . 15 1 1 A 150 150 ASN H H 773 8.279 8.810 -0.531 1
1 1575 . 15 1 1 A 150 150 ASN HA H 773 4.375 4.270 0.105 1
1 1576 . 15 1 1 A 150 150 ASN CB C 773 38.977 38.435 0.542 1
1 1582 . 15 1 1 A 151 151 LYS N N 774 118.045 117.253 0.792 1
1 1583 . 15 1 1 A 151 151 LYS H H 774 7.648 7.764 -0.116 1
1 1584 . 15 1 1 A 151 151 LYS CA C 774 57.563 57.177 0.386 1
1 1585 . 15 1 1 A 151 151 LYS HA H 774 4.225 4.351 -0.126 1
1 1586 . 15 1 1 A 151 151 LYS CB C 774 32.333 32.995 -0.662 1
1 1595 . 15 1 1 A 152 152 LEU N N 775 119.031 117.146 1.885 1
1 1596 . 15 1 1 A 152 152 LEU H H 775 7.825 8.329 -0.504 1
1 1597 . 15 1 1 A 152 152 LEU CA C 775 55.990 57.194 -1.204 1
1 1598 . 15 1 1 A 152 152 LEU HA H 775 4.270 4.170 0.100 1
1 1599 . 15 1 1 A 152 152 LEU CB C 775 42.487 41.537 0.950 1
1 1612 . 15 1 1 A 153 153 THR N N 776 110.107 114.458 -4.351 1
1 1613 . 15 1 1 A 153 153 THR H H 776 7.525 7.788 -0.263 1
1 1614 . 15 1 1 A 153 153 THR CA C 776 61.535 66.748 -5.213 1
1 1615 . 15 1 1 A 153 153 THR HA H 776 4.332 3.828 0.504 1
1 1616 . 15 1 1 A 153 153 THR CB C 776 69.570 68.896 0.674 1
1 1622 . 15 1 1 A 154 154 GLU N N 777 122.427 117.864 4.563 1
1 1623 . 15 1 1 A 154 154 GLU H H 777 8.027 7.629 0.398 1
1 1624 . 15 1 1 A 154 154 GLU CA C 777 57.720 58.074 -0.354 1
1 1625 . 15 1 1 A 154 154 GLU HA H 777 4.216 4.098 0.118 1
1 1626 . 15 1 1 A 154 154 GLU CB C 777 29.977 27.985 1.992 1
1 1631 . 15 1 1 A 155 155 ASP N N 778 119.283 119.525 -0.242 1
1 1632 . 15 1 1 A 155 155 ASP H H 778 8.372 8.120 0.252 1
1 1633 . 15 1 1 A 155 155 ASP CA C 778 54.709 53.301 1.408 1
1 1634 . 15 1 1 A 155 155 ASP HA H 778 4.602 4.796 -0.194 1
1 1635 . 15 1 1 A 155 155 ASP CB C 778 40.600 41.965 -1.365 1
1 1638 . 15 1 1 A 156 156 LYS N N 779 120.684 120.002 0.682 1
1 1639 . 15 1 1 A 156 156 LYS H H 779 8.068 7.487 0.581 1
1 1640 . 15 1 1 A 156 156 LYS CA C 779 56.388 57.126 -0.738 1
1 1641 . 15 1 1 A 156 156 LYS HA H 779 4.333 4.163 0.170 1
1 1642 . 15 1 1 A 156 156 LYS CB C 779 32.814 32.827 -0.013 1
1 1651 . 15 1 1 A 157 157 ALA N N 780 123.182 125.686 -2.504 1
1 1652 . 15 1 1 A 157 157 ALA H H 780 8.197 8.662 -0.465 1
1 1653 . 15 1 1 A 157 157 ALA CA C 780 52.591 51.561 1.030 1
1 1654 . 15 1 1 A 157 157 ALA HA H 780 4.337 4.629 -0.292 1
1 1655 . 15 1 1 A 157 157 ALA CB C 780 19.186 20.206 -1.020 1
1 1659 . 15 1 1 A 158 158 ASP N N 781 118.794 118.280 0.514 1
1 1660 . 15 1 1 A 158 158 ASP H H 781 8.222 7.941 0.281 1
1 1661 . 15 1 1 A 158 158 ASP CA C 781 54.003 53.718 0.285 1
1 1662 . 15 1 1 A 158 158 ASP HA H 781 4.673 4.924 -0.251 1
1 1663 . 15 1 1 A 158 158 ASP CB C 781 41.075 41.986 -0.911 1
1 1666 . 15 1 1 A 159 159 VAL N N 782 120.713 119.395 1.318 1
1 1667 . 15 1 1 A 159 159 VAL H H 782 8.039 8.192 -0.153 1
1 1668 . 15 1 1 A 159 159 VAL CA C 782 63.898 64.601 -0.703 1
1 1669 . 15 1 1 A 159 159 VAL HA H 782 4.028 3.653 0.375 1
1 1670 . 15 1 1 A 159 159 VAL CB C 782 32.181 31.401 0.780 1
1 1680 . 15 1 1 A 160 160 GLN N N 783 120.756 121.262 -0.506 1
1 1681 . 15 1 1 A 160 160 GLN H H 783 8.370 7.992 0.378 1
1 1682 . 15 1 1 A 160 160 GLN CA C 783 57.563 57.671 -0.108 1
1 1683 . 15 1 1 A 160 160 GLN HA H 783 4.219 4.251 -0.032 1
1 1684 . 15 1 1 A 160 160 GLN CB C 783 28.410 28.007 0.403 1
1 1691 . 15 1 1 A 161 161 SER N N 784 116.111 114.315 1.796 1
1 1692 . 15 1 1 A 161 161 SER H H 784 8.190 8.146 0.044 1
1 1693 . 15 1 1 A 161 161 SER CA C 784 60.089 60.364 -0.275 1
1 1694 . 15 1 1 A 161 161 SER HA H 784 4.361 4.450 -0.089 1
1 1695 . 15 1 1 A 161 161 SER CB C 784 62.955 63.469 -0.514 1
1 1698 . 15 1 1 A 162 162 ILE N N 785 122.105 122.587 -0.482 1
1 1699 . 15 1 1 A 162 162 ILE H H 785 8.014 7.650 0.364 1
1 1700 . 15 1 1 A 162 162 ILE CA C 785 62.963 64.462 -1.499 1
1 1701 . 15 1 1 A 162 162 ILE HA H 785 3.986 3.285 0.701 1
1 1702 . 15 1 1 A 162 162 ILE CB C 785 37.568 37.235 0.333 1
1 1715 . 15 1 1 A 163 163 ILE N N 786 122.150 122.033 0.117 1
1 1716 . 15 1 1 A 163 163 ILE H H 786 7.913 8.594 -0.681 1
1 1717 . 15 1 1 A 163 163 ILE CA C 786 64.074 65.259 -1.185 1
1 1718 . 15 1 1 A 163 163 ILE HA H 786 3.947 3.903 0.044 1
1 1719 . 15 1 1 A 163 163 ILE CB C 786 37.561 38.080 -0.519 1
1 1732 . 15 1 1 A 164 164 GLY N N 787 107.177 107.721 -0.544 1
1 1733 . 15 1 1 A 164 164 GLY H H 787 8.057 8.021 0.036 1
1 1734 . 15 1 1 A 164 164 GLY CA C 787 46.938 47.277 -0.339 1
1 1735 . 15 1 1 A 164 164 GLY HA3 H 787 3.907 3.775 0.132 1
1 1736 . 15 1 1 A 164 164 GLY HA2 H 787 4.007 3.733 0.274 1
1 1737 . 15 1 1 A 165 165 LEU N N 788 123.590 123.062 0.528 1
1 1738 . 15 1 1 A 165 165 LEU H H 788 7.676 8.597 -0.921 1
1 1739 . 15 1 1 A 165 165 LEU CA C 788 57.738 56.962 0.776 1
1 1740 . 15 1 1 A 165 165 LEU HA H 788 4.052 3.974 0.078 1
1 1741 . 15 1 1 A 165 165 LEU CB C 788 40.833 41.519 -0.686 1
1 1753 . 15 1 1 A 166 166 GLN N N 789 119.114 119.549 -0.435 1
1 1754 . 15 1 1 A 166 166 GLN H H 789 7.956 8.730 -0.774 1
1 1755 . 15 1 1 A 166 166 GLN CA C 789 59.445 59.633 -0.188 1
1 1756 . 15 1 1 A 166 166 GLN HA H 789 3.844 4.090 -0.246 1
1 1757 . 15 1 1 A 166 166 GLN CB C 789 27.826 28.266 -0.440 1
1 1765 . 15 1 1 A 167 167 ARG N N 790 118.851 120.046 -1.195 1
1 1766 . 15 1 1 A 167 167 ARG H H 790 8.387 8.359 0.028 1
1 1767 . 15 1 1 A 167 167 ARG CA C 790 58.942 57.624 1.318 1
1 1768 . 15 1 1 A 167 167 ARG HA H 790 4.191 4.242 -0.051 1
1 1769 . 15 1 1 A 167 167 ARG CB C 790 29.829 30.178 -0.349 1
1 1776 . 15 1 1 A 168 168 PHE N N 791 122.408 122.601 -0.193 1
1 1777 . 15 1 1 A 168 168 PHE H H 791 8.127 8.866 -0.739 1
1 1778 . 15 1 1 A 168 168 PHE CA C 791 61.976 61.397 0.579 1
1 1779 . 15 1 1 A 168 168 PHE HA H 791 4.164 4.315 -0.151 1
1 1780 . 15 1 1 A 168 168 PHE CB C 791 38.894 39.238 -0.344 1
1 1788 . 15 1 1 A 169 169 PHE N N 792 119.223 120.532 -1.309 1
1 1789 . 15 1 1 A 169 169 PHE H H 792 8.500 9.085 -0.585 1
1 1790 . 15 1 1 A 169 169 PHE CA C 792 61.093 61.977 -0.884 1
1 1791 . 15 1 1 A 169 169 PHE HA H 792 4.053 4.359 -0.306 1
1 1792 . 15 1 1 A 169 169 PHE CB C 792 39.182 39.257 -0.075 1
1 1800 . 15 1 1 A 170 170 GLU N N 793 119.089 118.634 0.455 1
1 1801 . 15 1 1 A 170 170 GLU H H 793 8.718 8.363 0.355 1
1 1802 . 15 1 1 A 170 170 GLU CA C 793 59.843 58.794 1.049 1
1 1803 . 15 1 1 A 170 170 GLU HA H 793 3.483 3.569 -0.086 1
1 1804 . 15 1 1 A 170 170 GLU CB C 793 29.372 28.812 0.560 1
1 1810 . 15 1 1 A 171 171 THR N N 794 115.081 118.103 -3.022 1
1 1811 . 15 1 1 A 171 171 THR H H 794 8.205 7.889 0.316 1
1 1812 . 15 1 1 A 171 171 THR CA C 794 66.661 67.056 -0.395 1
1 1813 . 15 1 1 A 171 171 THR HA H 794 3.935 3.593 0.342 1
1 1814 . 15 1 1 A 171 171 THR CB C 794 68.604 68.045 0.559 1
1 1820 . 15 1 1 A 172 172 ARG N N 795 120.165 119.897 0.268 1
1 1821 . 15 1 1 A 172 172 ARG H H 795 7.776 7.366 0.410 1
1 1822 . 15 1 1 A 172 172 ARG CA C 795 57.535 59.038 -1.503 1
1 1823 . 15 1 1 A 172 172 ARG HA H 795 4.030 3.814 0.216 1
1 1824 . 15 1 1 A 172 172 ARG CB C 795 29.886 30.060 -0.174 1
1 1828 . 15 1 1 A 173 173 MET N N 796 120.347 119.292 1.055 1
1 1829 . 15 1 1 A 173 173 MET H H 796 8.503 7.506 0.997 1
1 1830 . 15 1 1 A 173 173 MET CA C 796 57.453 57.682 -0.229 1
1 1831 . 15 1 1 A 173 173 MET HA H 796 4.383 4.028 0.355 1
1 1832 . 15 1 1 A 173 173 MET CB C 796 30.469 32.039 -1.570 1
1 1840 . 15 1 1 A 174 174 ASN N N 797 119.200 117.842 1.358 1
1 1841 . 15 1 1 A 174 174 ASN H H 797 8.351 7.337 1.014 1
1 1842 . 15 1 1 A 174 174 ASN CA C 797 55.851 55.639 0.212 1
1 1843 . 15 1 1 A 174 174 ASN HA H 797 4.510 4.364 0.146 1
1 1844 . 15 1 1 A 174 174 ASN CB C 797 38.213 38.688 -0.475 1
1 1850 . 15 1 1 A 175 175 GLU N N 798 119.589 118.768 0.821 1
1 1851 . 15 1 1 A 175 175 GLU H H 798 7.896 8.370 -0.474 1
1 1852 . 15 1 1 A 175 175 GLU CA C 798 59.033 58.455 0.578 1
1 1853 . 15 1 1 A 175 175 GLU HA H 798 3.967 4.037 -0.070 1
1 1854 . 15 1 1 A 175 175 GLU CB C 798 29.296 29.355 -0.059 1
1 1860 . 15 1 1 A 176 176 ALA N N 799 116.937 121.964 -5.027 1
1 1861 . 15 1 1 A 176 176 ALA H H 799 8.030 7.601 0.429 1
1 1862 . 15 1 1 A 176 176 ALA CA C 799 54.179 53.596 0.583 1
1 1863 . 15 1 1 A 176 176 ALA HA H 799 4.085 4.447 -0.362 1
1 1864 . 15 1 1 A 176 176 ALA CB C 799 19.432 19.608 -0.176 1
1 1868 . 15 1 1 A 177 177 PHE N N 800 112.840 116.178 -3.338 1
1 1869 . 15 1 1 A 177 177 PHE H H 800 8.544 7.769 0.775 1
1 1870 . 15 1 1 A 177 177 PHE CA C 800 59.182 59.745 -0.563 1
1 1871 . 15 1 1 A 177 177 PHE HA H 800 4.515 4.538 -0.023 1
1 1872 . 15 1 1 A 177 177 PHE CB C 800 39.642 37.940 1.702 1
1 1881 . 15 1 1 A 178 178 GLY N N 801 110.339 106.256 4.083 1
1 1882 . 15 1 1 A 178 178 GLY H H 801 7.974 7.796 0.178 1
1 1883 . 15 1 1 A 178 178 GLY CA C 801 45.607 45.427 0.180 1
1 1884 . 15 1 1 A 178 178 GLY HA3 H 801 3.988 4.173 -0.185 1
1 1885 . 15 1 1 A 178 178 GLY HA2 H 801 4.031 4.170 -0.139 1
1 1886 . 15 1 1 A 179 179 ASP N N 802 119.627 115.202 4.425 1
1 1887 . 15 1 1 A 179 179 ASP H H 802 8.185 7.995 0.190 1
1 1888 . 15 1 1 A 179 179 ASP CA C 802 53.949 55.729 -1.780 1
1 1889 . 15 1 1 A 179 179 ASP HA H 802 4.679 4.422 0.257 1
1 1890 . 15 1 1 A 179 179 ASP CB C 802 41.070 39.245 1.825 1
1 1892 . 15 1 1 A 180 180 THR N N 803 113.769 114.126 -0.357 1
1 1893 . 15 1 1 A 180 180 THR H H 803 8.037 8.020 0.017 1
1 1894 . 15 1 1 A 180 180 THR CA C 803 61.885 66.504 -4.619 1
1 1895 . 15 1 1 A 180 180 THR HA H 803 4.331 4.062 0.269 1
1 1896 . 15 1 1 A 180 180 THR CB C 803 70.002 69.476 0.526 1
1 1902 . 15 1 1 A 181 181 LYS N N 804 122.277 118.170 4.107 1
1 1903 . 15 1 1 A 181 181 LYS H H 804 8.198 7.417 0.781 1
1 1904 . 15 1 1 A 181 181 LYS CA C 804 56.652 58.440 -1.788 1
1 1905 . 15 1 1 A 181 181 LYS HA H 804 4.151 4.391 -0.240 1
1 1906 . 15 1 1 A 181 181 LYS CB C 804 32.377 31.349 1.028 1
1 1914 . 15 1 1 A 182 182 PHE N N 805 119.784 122.492 -2.708 1
1 1915 . 15 1 1 A 182 182 PHE H H 805 8.206 8.940 -0.734 1
1 1916 . 15 1 1 A 182 182 PHE CA C 805 57.256 58.598 -1.342 1
1 1917 . 15 1 1 A 182 182 PHE HA H 805 4.664 4.603 0.061 1
1 1918 . 15 1 1 A 182 182 PHE CB C 805 38.774 38.765 0.009 1
1 1927 . 15 1 1 A 183 183 SER N N 806 123.742 112.766 10.976 1
1 1928 . 15 1 1 A 183 183 SER H H 806 8.121 7.752 0.369 1
1 1929 . 15 1 1 A 183 183 SER CA C 806 58.203 58.782 -0.579 1
1 1930 . 15 1 1 A 183 183 SER HA H 806 4.361 4.585 -0.224 1
1 1931 . 15 1 1 A 183 183 SER CB C 806 63.764 64.413 -0.649 1
1 1934 . 15 1 1 A 184 184 ALA N N 807 125.704 120.461 5.243 1
1 1935 . 15 1 1 A 184 184 ALA H H 807 8.286 7.763 0.523 1
1 1936 . 15 1 1 A 184 184 ALA CA C 807 52.574 51.508 1.066 1
1 1937 . 15 1 1 A 184 184 ALA HA H 807 4.360 4.371 -0.011 1
1 1938 . 15 1 1 A 184 184 ALA CB C 807 18.947 19.572 -0.625 1
1 1942 . 15 1 1 A 185 185 VAL N N 808 118.271 115.148 3.123 1
1 1943 . 15 1 1 A 185 185 VAL H H 808 7.958 8.816 -0.858 1
1 1944 . 15 1 1 A 185 185 VAL CA C 808 62.216 63.599 -1.383 1
1 1945 . 15 1 1 A 185 185 VAL HA H 808 4.151 3.952 0.199 1
1 1946 . 15 1 1 A 185 185 VAL CB C 808 32.178 31.620 0.558 1
1 1952 . 15 1 1 A 186 186 LEU N N 809 125.280 120.021 5.259 1
1 1953 . 15 1 1 A 186 186 LEU H H 809 8.195 7.475 0.720 1
1 1954 . 15 1 1 A 186 186 LEU CA C 809 54.474 54.139 0.335 1
1 1955 . 15 1 1 A 186 186 LEU HA H 809 4.430 4.461 -0.031 1
1 1956 . 15 1 1 A 186 186 LEU CB C 809 42.303 42.578 -0.275 1
1 1968 . 15 1 1 A 187 187 VAL N N 810 120.937 119.287 1.650 1
1 1969 . 15 1 1 A 187 187 VAL H H 810 7.985 7.809 0.176 1
1 1970 . 15 1 1 A 187 187 VAL CA C 810 62.004 62.812 -0.808 1
1 1971 . 15 1 1 A 187 187 VAL HA H 810 4.155 4.267 -0.112 1
1 1972 . 15 1 1 A 187 187 VAL CB C 810 32.602 30.506 2.096 1
1 1979 . 15 1 1 A 188 188 GLU N N 811 126.353 127.819 -1.466 1
1 1980 . 15 1 1 A 188 188 GLU H H 811 8.292 8.680 -0.388 1
1 1981 . 15 1 1 A 188 188 GLU CA C 811 54.162 52.877 1.285 1
1 1982 . 15 1 1 A 188 188 GLU HA H 811 4.609 4.790 -0.181 1
1 1983 . 15 1 1 A 188 188 GLU CB C 811 29.775 32.784 -3.009 1
1 1 . 16 1 1 A 2 2 ALA CA C 625 52.969 52.070 0.899 1
1 2 . 16 1 1 A 2 2 ALA HA H 625 4.493 4.462 0.031 1
1 3 . 16 1 1 A 2 2 ALA CB C 625 19.272 19.366 -0.094 1
1 7 . 16 1 1 A 3 3 THR N N 626 113.570 116.235 -2.665 1
1 8 . 16 1 1 A 3 3 THR H H 626 8.176 8.635 -0.459 1
1 9 . 16 1 1 A 3 3 THR CA C 626 61.314 66.804 -5.490 1
1 10 . 16 1 1 A 3 3 THR HA H 626 4.298 4.188 0.110 1
1 11 . 16 1 1 A 3 3 THR CB C 626 69.270 68.941 0.329 1
1 17 . 16 1 1 A 4 4 ILE N N 627 115.272 116.790 -1.518 1
1 18 . 16 1 1 A 4 4 ILE H H 627 7.549 7.944 -0.395 1
1 19 . 16 1 1 A 4 4 ILE CA C 627 58.731 61.584 -2.853 1
1 20 . 16 1 1 A 4 4 ILE HA H 627 4.258 4.473 -0.215 1
1 21 . 16 1 1 A 4 4 ILE CB C 627 42.246 37.277 4.969 1
1 34 . 16 1 1 A 5 5 CYS N N 628 124.095 125.840 -1.745 1
1 35 . 16 1 1 A 5 5 CYS H H 628 7.766 8.411 -0.645 1
1 36 . 16 1 1 A 5 5 CYS CA C 628 57.978 59.227 -1.249 1
1 37 . 16 1 1 A 5 5 CYS HA H 628 3.781 4.635 -0.854 1
1 38 . 16 1 1 A 5 5 CYS CB C 628 31.436 28.125 3.311 1
1 41 . 16 1 1 A 6 6 ARG N N 629 129.928 127.048 2.880 1
1 42 . 16 1 1 A 6 6 ARG H H 629 9.040 7.973 1.067 1
1 43 . 16 1 1 A 6 6 ARG CA C 629 57.514 59.367 -1.853 1
1 44 . 16 1 1 A 6 6 ARG HA H 629 3.900 3.689 0.211 1
1 45 . 16 1 1 A 6 6 ARG CB C 629 30.251 29.238 1.013 1
1 54 . 16 1 1 A 7 7 VAL N N 630 118.166 119.347 -1.181 1
1 55 . 16 1 1 A 7 7 VAL H H 630 8.734 7.557 1.177 1
1 56 . 16 1 1 A 7 7 VAL CA C 630 65.770 66.902 -1.132 1
1 57 . 16 1 1 A 7 7 VAL HA H 630 4.137 3.759 0.378 1
1 58 . 16 1 1 A 7 7 VAL CB C 630 33.079 31.878 1.201 1
1 68 . 16 1 1 A 8 8 CYS N N 631 116.148 114.695 1.453 1
1 69 . 16 1 1 A 8 8 CYS H H 631 8.143 7.858 0.285 1
1 70 . 16 1 1 A 8 8 CYS CA C 631 59.154 58.271 0.883 1
1 71 . 16 1 1 A 8 8 CYS HA H 631 5.105 4.427 0.678 1
1 72 . 16 1 1 A 8 8 CYS CB C 631 31.184 27.699 3.485 1
1 75 . 16 1 1 A 9 9 GLN N N 632 115.248 116.193 -0.945 1
1 76 . 16 1 1 A 9 9 GLN H H 632 8.132 9.228 -1.096 1
1 77 . 16 1 1 A 9 9 GLN CA C 632 57.404 56.795 0.609 1
1 78 . 16 1 1 A 9 9 GLN HA H 632 4.068 4.027 0.041 1
1 79 . 16 1 1 A 9 9 GLN CB C 632 26.002 25.887 0.115 1
1 88 . 16 1 1 A 10 10 LYS N N 633 118.420 118.001 0.419 1
1 89 . 16 1 1 A 10 10 LYS H H 633 8.091 7.764 0.327 1
1 90 . 16 1 1 A 10 10 LYS CA C 633 53.835 53.116 0.719 1
1 91 . 16 1 1 A 10 10 LYS HA H 633 5.046 4.814 0.232 1
1 92 . 16 1 1 A 10 10 LYS CB C 633 33.312 33.434 -0.122 1
1 102 . 16 1 1 A 11 11 PRO CA C 634 62.136 62.638 -0.502 1
1 103 . 16 1 1 A 11 11 PRO HA H 634 5.056 4.868 0.188 1
1 104 . 16 1 1 A 11 11 PRO CB C 634 33.061 32.189 0.872 1
1 112 . 16 1 1 A 12 12 GLY N N 635 106.958 108.180 -1.222 1
1 113 . 16 1 1 A 12 12 GLY H H 635 8.475 7.925 0.550 1
1 114 . 16 1 1 A 12 12 GLY CA C 635 45.303 45.846 -0.543 1
1 115 . 16 1 1 A 12 12 GLY HA3 H 635 3.812 4.438 -0.626 1
1 116 . 16 1 1 A 12 12 GLY HA2 H 635 4.438 4.237 0.201 1
1 117 . 16 1 1 A 13 13 ASP N N 636 124.001 123.138 0.863 1
1 118 . 16 1 1 A 13 13 ASP H H 636 8.729 8.888 -0.159 1
1 119 . 16 1 1 A 13 13 ASP CA C 636 54.239 53.533 0.706 1
1 120 . 16 1 1 A 13 13 ASP HA H 636 4.656 4.771 -0.115 1
1 121 . 16 1 1 A 13 13 ASP CB C 636 39.425 39.566 -0.141 1
1 124 . 16 1 1 A 14 14 LEU N N 637 121.435 122.592 -1.157 1
1 125 . 16 1 1 A 14 14 LEU H H 637 7.849 7.950 -0.101 1
1 126 . 16 1 1 A 14 14 LEU CA C 637 53.306 54.853 -1.547 1
1 127 . 16 1 1 A 14 14 LEU HA H 637 4.546 4.805 -0.259 1
1 128 . 16 1 1 A 14 14 LEU CB C 637 44.117 42.314 1.803 1
1 141 . 16 1 1 A 15 15 VAL N N 638 118.100 120.858 -2.758 1
1 142 . 16 1 1 A 15 15 VAL H H 638 8.703 8.946 -0.243 1
1 143 . 16 1 1 A 15 15 VAL CA C 638 59.865 61.109 -1.244 1
1 144 . 16 1 1 A 15 15 VAL HA H 638 4.383 4.692 -0.309 1
1 145 . 16 1 1 A 15 15 VAL CB C 638 33.305 32.625 0.680 1
1 155 . 16 1 1 A 16 16 MET N N 639 125.271 127.417 -2.146 1
1 156 . 16 1 1 A 16 16 MET H H 639 8.519 9.202 -0.683 1
1 157 . 16 1 1 A 16 16 MET CA C 639 54.122 54.797 -0.675 1
1 158 . 16 1 1 A 16 16 MET HA H 639 5.210 4.906 0.304 1
1 159 . 16 1 1 A 16 16 MET CB C 639 36.310 32.780 3.530 1
1 169 . 16 1 1 A 17 17 CYS N N 640 129.455 125.315 4.140 1
1 170 . 16 1 1 A 17 17 CYS H H 640 9.139 9.063 0.076 1
1 171 . 16 1 1 A 17 17 CYS CA C 640 59.996 60.095 -0.099 1
1 172 . 16 1 1 A 17 17 CYS HA H 640 4.658 4.415 0.243 1
1 173 . 16 1 1 A 17 17 CYS CB C 640 31.238 28.528 2.710 1
1 176 . 16 1 1 A 18 18 ASN N N 641 128.271 128.026 0.245 1
1 177 . 16 1 1 A 18 18 ASN H H 641 8.914 9.203 -0.289 1
1 178 . 16 1 1 A 18 18 ASN CA C 641 55.658 54.815 0.843 1
1 179 . 16 1 1 A 18 18 ASN HA H 641 4.584 4.643 -0.059 1
1 180 . 16 1 1 A 18 18 ASN CB C 641 38.955 38.442 0.513 1
1 186 . 16 1 1 A 19 19 GLN N N 642 121.426 116.708 4.718 1
1 187 . 16 1 1 A 19 19 GLN H H 642 9.313 7.517 1.796 1
1 188 . 16 1 1 A 19 19 GLN CA C 642 57.971 56.322 1.649 1
1 189 . 16 1 1 A 19 19 GLN HA H 642 4.502 4.440 0.062 1
1 190 . 16 1 1 A 19 19 GLN CB C 642 30.466 30.842 -0.376 1
1 197 . 16 1 1 A 20 20 CYS N N 643 120.207 114.846 5.361 1
1 198 . 16 1 1 A 20 20 CYS H H 643 8.542 7.803 0.739 1
1 199 . 16 1 1 A 20 20 CYS CA C 643 59.473 58.044 1.429 1
1 200 . 16 1 1 A 20 20 CYS HA H 643 4.663 4.760 -0.097 1
1 201 . 16 1 1 A 20 20 CYS CB C 643 31.889 27.848 4.041 1
1 204 . 16 1 1 A 21 21 GLU N N 644 114.113 115.311 -1.198 1
1 205 . 16 1 1 A 21 21 GLU H H 644 7.441 7.953 -0.512 1
1 206 . 16 1 1 A 21 21 GLU CA C 644 57.994 58.033 -0.039 1
1 207 . 16 1 1 A 21 21 GLU HA H 644 4.285 4.020 0.265 1
1 208 . 16 1 1 A 21 21 GLU CB C 644 26.843 27.645 -0.802 1
1 214 . 16 1 1 A 22 22 PHE N N 645 120.911 119.456 1.455 1
1 215 . 16 1 1 A 22 22 PHE H H 645 8.941 8.232 0.709 1
1 216 . 16 1 1 A 22 22 PHE CA C 645 57.356 58.252 -0.896 1
1 217 . 16 1 1 A 22 22 PHE HA H 645 4.777 4.555 0.222 1
1 218 . 16 1 1 A 22 22 PHE CB C 645 38.709 39.021 -0.312 1
1 226 . 16 1 1 A 23 23 CYS N N 646 115.830 124.777 -8.947 1
1 227 . 16 1 1 A 23 23 CYS H H 646 8.137 8.744 -0.607 1
1 228 . 16 1 1 A 23 23 CYS CA C 646 56.600 58.188 -1.588 1
1 229 . 16 1 1 A 23 23 CYS HA H 646 5.813 6.065 -0.252 1
1 230 . 16 1 1 A 23 23 CYS CB C 646 30.951 28.943 2.008 1
1 233 . 16 1 1 A 24 24 PHE N N 647 116.053 120.851 -4.798 1
1 234 . 16 1 1 A 24 24 PHE H H 647 9.011 8.576 0.435 1
1 235 . 16 1 1 A 24 24 PHE CA C 647 56.827 56.865 -0.038 1
1 236 . 16 1 1 A 24 24 PHE HA H 647 5.910 4.872 1.038 1
1 237 . 16 1 1 A 24 24 PHE CB C 647 44.608 43.093 1.515 1
1 246 . 16 1 1 A 25 25 HIS N N 648 120.957 121.980 -1.023 1
1 247 . 16 1 1 A 25 25 HIS H H 648 8.427 9.125 -0.698 1
1 248 . 16 1 1 A 25 25 HIS CA C 648 58.971 57.091 1.880 1
1 249 . 16 1 1 A 25 25 HIS HA H 648 4.929 4.369 0.560 1
1 250 . 16 1 1 A 25 25 HIS CB C 648 31.178 29.805 1.373 1
1 257 . 16 1 1 A 26 26 LEU N N 649 123.176 117.140 6.036 1
1 258 . 16 1 1 A 26 26 LEU H H 649 9.369 8.011 1.358 1
1 259 . 16 1 1 A 26 26 LEU CA C 649 59.646 57.633 2.013 1
1 260 . 16 1 1 A 26 26 LEU HA H 649 3.829 3.753 0.076 1
1 261 . 16 1 1 A 26 26 LEU CB C 649 39.426 40.311 -0.885 1
1 274 . 16 1 1 A 27 27 ASP N N 650 109.058 119.490 -10.432 1
1 275 . 16 1 1 A 27 27 ASP H H 650 8.326 8.984 -0.658 1
1 276 . 16 1 1 A 27 27 ASP CA C 650 53.998 56.393 -2.395 1
1 277 . 16 1 1 A 27 27 ASP HA H 650 4.739 4.459 0.280 1
1 278 . 16 1 1 A 27 27 ASP CB C 650 40.331 40.864 -0.533 1
1 280 . 16 1 1 A 28 28 CYS N N 651 117.495 115.868 1.627 1
1 281 . 16 1 1 A 28 28 CYS H H 651 7.480 8.061 -0.581 1
1 282 . 16 1 1 A 28 28 CYS CA C 651 61.534 61.636 -0.102 1
1 283 . 16 1 1 A 28 28 CYS HA H 651 4.245 4.553 -0.308 1
1 284 . 16 1 1 A 28 28 CYS CB C 651 31.646 28.955 2.691 1
1 286 . 16 1 1 A 29 29 HIS N N 652 116.384 121.966 -5.582 1
1 287 . 16 1 1 A 29 29 HIS H H 652 6.894 7.888 -0.994 1
1 288 . 16 1 1 A 29 29 HIS CA C 652 59.713 57.663 2.050 1
1 289 . 16 1 1 A 29 29 HIS HA H 652 3.644 4.572 -0.928 1
1 290 . 16 1 1 A 29 29 HIS CB C 652 27.909 30.515 -2.606 1
1 296 . 16 1 1 A 30 30 LEU N N 653 121.110 126.405 -5.295 1
1 297 . 16 1 1 A 30 30 LEU H H 653 4.525 8.131 -3.606 1
1 298 . 16 1 1 A 30 30 LEU CA C 653 51.439 59.300 -7.861 1
1 299 . 16 1 1 A 30 30 LEU HA H 653 4.515 3.215 1.300 1
1 300 . 16 1 1 A 30 30 LEU CB C 653 46.001 40.773 5.228 1
1 312 . 16 1 1 A 31 31 PRO CA C 654 62.964 63.599 -0.635 1
1 313 . 16 1 1 A 31 31 PRO HA H 654 4.471 4.389 0.082 1
1 314 . 16 1 1 A 31 31 PRO CB C 654 34.045 32.392 1.653 1
1 322 . 16 1 1 A 32 32 ALA N N 655 125.871 120.183 5.688 1
1 323 . 16 1 1 A 32 32 ALA H H 655 8.766 7.987 0.779 1
1 324 . 16 1 1 A 32 32 ALA CA C 655 52.771 52.907 -0.136 1
1 325 . 16 1 1 A 32 32 ALA HA H 655 4.349 4.840 -0.491 1
1 326 . 16 1 1 A 32 32 ALA CB C 655 18.177 18.025 0.152 1
1 330 . 16 1 1 A 33 33 LEU N N 656 123.348 123.151 0.197 1
1 331 . 16 1 1 A 33 33 LEU H H 656 8.230 8.675 -0.445 1
1 332 . 16 1 1 A 33 33 LEU CA C 656 54.014 55.075 -1.061 1
1 333 . 16 1 1 A 33 33 LEU HA H 656 4.445 4.269 0.176 1
1 334 . 16 1 1 A 33 33 LEU CB C 656 43.197 42.604 0.593 1
1 347 . 16 1 1 A 34 34 GLN N N 657 119.992 118.634 1.358 1
1 348 . 16 1 1 A 34 34 GLN H H 657 8.679 8.665 0.014 1
1 349 . 16 1 1 A 34 34 GLN CA C 657 56.354 54.674 1.680 1
1 350 . 16 1 1 A 34 34 GLN HA H 657 4.159 4.568 -0.409 1
1 351 . 16 1 1 A 34 34 GLN CB C 657 29.555 29.406 0.149 1
1 359 . 16 1 1 A 35 35 ASP N N 658 115.420 117.596 -2.176 1
1 360 . 16 1 1 A 35 35 ASP H H 658 7.457 8.148 -0.691 1
1 361 . 16 1 1 A 35 35 ASP CA C 658 51.696 55.273 -3.577 1
1 362 . 16 1 1 A 35 35 ASP HA H 658 4.626 4.245 0.381 1
1 363 . 16 1 1 A 35 35 ASP CB C 658 43.431 40.160 3.271 1
1 366 . 16 1 1 A 36 36 VAL N N 659 122.099 119.279 2.820 1
1 367 . 16 1 1 A 36 36 VAL H H 659 8.624 7.589 1.035 1
1 368 . 16 1 1 A 36 36 VAL CA C 659 60.994 61.438 -0.444 1
1 369 . 16 1 1 A 36 36 VAL HA H 659 3.752 4.032 -0.280 1
1 370 . 16 1 1 A 36 36 VAL CB C 659 32.087 31.717 0.370 1
1 380 . 16 1 1 A 37 37 PRO CA C 660 62.728 62.889 -0.161 1
1 381 . 16 1 1 A 37 37 PRO HA H 660 4.454 4.390 0.064 1
1 382 . 16 1 1 A 37 37 PRO CB C 660 32.835 32.900 -0.065 1
1 391 . 16 1 1 A 38 38 GLY N N 661 106.940 108.740 -1.800 1
1 392 . 16 1 1 A 38 38 GLY H H 661 8.189 8.150 0.039 1
1 393 . 16 1 1 A 38 38 GLY CA C 661 44.397 45.451 -1.054 1
1 394 . 16 1 1 A 38 38 GLY HA3 H 661 3.969 3.956 0.013 1
1 395 . 16 1 1 A 38 38 GLY HA2 H 661 4.190 3.951 0.239 1
1 396 . 16 1 1 A 39 39 GLU N N 662 117.365 116.219 1.146 1
1 397 . 16 1 1 A 39 39 GLU H H 662 8.281 7.993 0.288 1
1 398 . 16 1 1 A 39 39 GLU CA C 662 57.520 56.117 1.403 1
1 399 . 16 1 1 A 39 39 GLU HA H 662 4.281 4.642 -0.361 1
1 400 . 16 1 1 A 39 39 GLU CB C 662 30.013 31.464 -1.451 1
1 405 . 16 1 1 A 40 40 GLU N N 663 117.986 118.406 -0.420 1
1 406 . 16 1 1 A 40 40 GLU H H 663 8.697 8.255 0.442 1
1 407 . 16 1 1 A 40 40 GLU CA C 663 56.389 56.134 0.255 1
1 408 . 16 1 1 A 40 40 GLU HA H 663 4.293 4.613 -0.320 1
1 409 . 16 1 1 A 40 40 GLU CB C 663 28.787 31.075 -2.288 1
1 414 . 16 1 1 A 41 41 TRP N N 664 124.391 124.005 0.386 1
1 415 . 16 1 1 A 41 41 TRP H H 664 7.967 7.821 0.146 1
1 416 . 16 1 1 A 41 41 TRP CA C 664 59.934 57.233 2.701 1
1 417 . 16 1 1 A 41 41 TRP HA H 664 4.312 4.785 -0.473 1
1 418 . 16 1 1 A 41 41 TRP CB C 664 29.998 30.611 -0.613 1
1 432 . 16 1 1 A 42 42 SER N N 665 120.355 116.067 4.288 1
1 433 . 16 1 1 A 42 42 SER H H 665 6.873 8.154 -1.281 1
1 434 . 16 1 1 A 42 42 SER CA C 665 55.166 56.568 -1.402 1
1 435 . 16 1 1 A 42 42 SER HA H 665 5.259 4.726 0.533 1
1 436 . 16 1 1 A 42 42 SER CB C 665 65.990 63.113 2.877 1
1 439 . 16 1 1 A 43 43 CYS N N 666 125.642 118.741 6.901 1
1 440 . 16 1 1 A 43 43 CYS H H 666 9.271 7.525 1.746 1
1 441 . 16 1 1 A 43 43 CYS CA C 666 57.325 58.916 -1.591 1
1 442 . 16 1 1 A 43 43 CYS HA H 666 3.952 1.915 2.037 1
1 443 . 16 1 1 A 43 43 CYS CB C 666 34.022 27.695 6.327 1
1 446 . 16 1 1 A 44 44 SER N N 667 117.158 118.580 -1.422 1
1 447 . 16 1 1 A 44 44 SER H H 667 7.068 8.101 -1.033 1
1 448 . 16 1 1 A 44 44 SER CA C 667 61.353 61.898 -0.545 1
1 449 . 16 1 1 A 44 44 SER HA H 667 4.225 4.218 0.007 1
1 450 . 16 1 1 A 44 44 SER CB C 667 63.693 63.091 0.602 1
1 453 . 16 1 1 A 45 45 LEU N N 668 120.667 120.133 0.534 1
1 454 . 16 1 1 A 45 45 LEU H H 668 8.965 7.703 1.262 1
1 455 . 16 1 1 A 45 45 LEU CA C 668 57.416 55.724 1.692 1
1 456 . 16 1 1 A 45 45 LEU HA H 668 4.178 4.295 -0.117 1
1 457 . 16 1 1 A 45 45 LEU CB C 668 40.611 41.632 -1.021 1
1 470 . 16 1 1 A 46 46 CYS N N 669 121.872 118.845 3.027 1
1 471 . 16 1 1 A 46 46 CYS H H 669 7.816 8.403 -0.587 1
1 472 . 16 1 1 A 46 46 CYS CA C 669 62.557 59.680 2.877 1
1 473 . 16 1 1 A 46 46 CYS HA H 669 3.969 4.612 -0.643 1
1 474 . 16 1 1 A 46 46 CYS CB C 669 30.467 30.144 0.323 1
1 477 . 16 1 1 A 47 47 HIS N N 670 119.396 116.823 2.573 1
1 478 . 16 1 1 A 47 47 HIS H H 670 8.077 7.961 0.116 1
1 479 . 16 1 1 A 47 47 HIS CA C 670 55.625 57.326 -1.701 1
1 480 . 16 1 1 A 47 47 HIS HA H 670 4.429 4.509 -0.080 1
1 481 . 16 1 1 A 47 47 HIS CB C 670 30.326 31.152 -0.826 1
1 488 . 16 1 1 A 48 48 VAL N N 671 123.528 118.781 4.747 1
1 489 . 16 1 1 A 48 48 VAL H H 671 7.978 7.973 0.005 1
1 490 . 16 1 1 A 48 48 VAL CA C 671 62.120 63.738 -1.618 1
1 491 . 16 1 1 A 48 48 VAL HA H 671 3.925 4.524 -0.599 1
1 492 . 16 1 1 A 48 48 VAL CB C 671 32.396 30.109 2.287 1
1 502 . 16 1 1 A 49 49 LEU N N 672 126.622 119.709 6.913 1
1 503 . 16 1 1 A 49 49 LEU H H 672 8.139 9.143 -1.004 1
1 504 . 16 1 1 A 49 49 LEU CA C 672 52.859 56.157 -3.298 1
1 505 . 16 1 1 A 49 49 LEU HA H 672 4.475 4.422 0.053 1
1 506 . 16 1 1 A 49 49 LEU CB C 672 41.536 41.044 0.492 1
1 518 . 16 1 1 A 50 50 PRO CA C 673 62.715 66.190 -3.475 1
1 519 . 16 1 1 A 50 50 PRO HA H 673 4.386 4.277 0.109 1
1 520 . 16 1 1 A 50 50 PRO CB C 673 32.093 31.371 0.722 1
1 528 . 16 1 1 A 51 51 ASP N N 674 120.540 118.120 2.420 1
1 529 . 16 1 1 A 51 51 ASP H H 674 8.307 8.090 0.217 1
1 530 . 16 1 1 A 51 51 ASP CA C 674 54.202 55.631 -1.429 1
1 531 . 16 1 1 A 51 51 ASP HA H 674 4.564 4.438 0.126 1
1 532 . 16 1 1 A 51 51 ASP CB C 674 41.030 40.502 0.528 1
1 535 . 16 1 1 A 52 52 LEU N N 675 122.987 123.191 -0.204 1
1 536 . 16 1 1 A 52 52 LEU H H 675 8.053 7.763 0.290 1
1 537 . 16 1 1 A 52 52 LEU CA C 675 54.945 55.705 -0.760 1
1 538 . 16 1 1 A 52 52 LEU HA H 675 4.364 4.137 0.227 1
1 539 . 16 1 1 A 52 52 LEU CB C 675 42.436 41.713 0.723 1
1 551 . 16 1 1 A 53 53 LYS N N 676 122.061 125.469 -3.408 1
1 552 . 16 1 1 A 53 53 LYS H H 676 8.340 8.684 -0.344 1
1 553 . 16 1 1 A 53 53 LYS CA C 676 56.060 60.005 -3.945 1
1 554 . 16 1 1 A 53 53 LYS HA H 676 4.331 3.977 0.354 1
1 555 . 16 1 1 A 53 53 LYS CB C 676 32.363 32.175 0.188 1
1 564 . 16 1 1 A 54 54 GLU N N 677 121.909 116.034 5.875 1
1 565 . 16 1 1 A 54 54 GLU H H 677 8.403 7.937 0.466 1
1 566 . 16 1 1 A 54 54 GLU CA C 677 56.586 57.589 -1.003 1
1 567 . 16 1 1 A 54 54 GLU HA H 677 4.312 3.916 0.396 1
1 568 . 16 1 1 A 54 54 GLU CB C 677 30.221 27.475 2.746 1
1 573 . 16 1 1 A 55 55 GLU N N 678 121.528 117.649 3.879 1
1 574 . 16 1 1 A 55 55 GLU H H 678 8.486 7.804 0.682 1
1 575 . 16 1 1 A 55 55 GLU CA C 678 56.368 55.195 1.173 1
1 576 . 16 1 1 A 55 55 GLU HA H 678 4.315 4.443 -0.128 1
1 577 . 16 1 1 A 55 55 GLU CB C 678 28.896 30.401 -1.505 1
1 582 . 16 1 1 A 56 56 ASP N N 679 121.530 119.721 1.809 1
1 583 . 16 1 1 A 56 56 ASP H H 679 8.322 9.216 -0.894 1
1 584 . 16 1 1 A 56 56 ASP CA C 679 54.252 54.502 -0.250 1
1 585 . 16 1 1 A 56 56 ASP HA H 679 4.680 4.883 -0.203 1
1 586 . 16 1 1 A 56 56 ASP CB C 679 41.146 40.486 0.660 1
1 588 . 16 1 1 A 57 57 GLY N N 680 109.997 112.369 -2.372 1
1 589 . 16 1 1 A 57 57 GLY H H 680 8.412 8.637 -0.225 1
1 590 . 16 1 1 A 57 57 GLY CA C 680 45.247 45.656 -0.409 1
1 591 . 16 1 1 A 57 57 GLY HA2 H 680 4.020 3.956 0.064 1
1 592 . 16 1 1 A 58 58 SER N N 681 115.994 115.524 0.470 1
1 593 . 16 1 1 A 58 58 SER H H 681 8.280 7.971 0.309 1
1 594 . 16 1 1 A 58 58 SER CA C 681 58.239 57.754 0.485 1
1 595 . 16 1 1 A 58 58 SER HA H 681 3.996 4.728 -0.732 1
1 596 . 16 1 1 A 58 58 SER CB C 681 63.789 65.547 -1.758 1
1 598 . 16 1 1 A 59 59 LEU N N 682 123.362 122.583 0.779 1
1 599 . 16 1 1 A 59 59 LEU H H 682 8.164 7.482 0.682 1
1 600 . 16 1 1 A 59 59 LEU CA C 682 55.160 54.091 1.069 1
1 601 . 16 1 1 A 59 59 LEU HA H 682 4.427 4.816 -0.389 1
1 602 . 16 1 1 A 59 59 LEU CB C 682 42.473 44.508 -2.035 1
1 614 . 16 1 1 A 60 60 SER N N 683 116.385 120.781 -4.396 1
1 615 . 16 1 1 A 60 60 SER H H 683 8.226 8.304 -0.078 1
1 616 . 16 1 1 A 60 60 SER CA C 683 58.004 57.559 0.445 1
1 617 . 16 1 1 A 60 60 SER HA H 683 4.517 4.756 -0.239 1
1 618 . 16 1 1 A 60 60 SER CB C 683 63.651 63.513 0.138 1
1 620 . 16 1 1 A 61 61 LEU N N 684 124.466 124.220 0.246 1
1 621 . 16 1 1 A 61 61 LEU H H 684 8.303 8.070 0.233 1
1 622 . 16 1 1 A 61 61 LEU CA C 684 54.959 57.410 -2.451 1
1 623 . 16 1 1 A 61 61 LEU HA H 684 4.412 4.124 0.288 1
1 624 . 16 1 1 A 61 61 LEU CB C 684 41.713 41.985 -0.272 1
1 635 . 16 1 1 A 62 62 ASP N N 685 120.536 118.075 2.461 1
1 636 . 16 1 1 A 62 62 ASP H H 685 8.267 7.568 0.699 1
1 637 . 16 1 1 A 62 62 ASP CA C 685 54.276 53.910 0.366 1
1 638 . 16 1 1 A 62 62 ASP HA H 685 4.680 4.946 -0.266 1
1 639 . 16 1 1 A 62 62 ASP CB C 685 41.125 42.997 -1.872 1
1 642 . 16 1 1 A 63 63 GLY N N 686 109.373 112.079 -2.706 1
1 643 . 16 1 1 A 63 63 GLY H H 686 8.277 8.374 -0.097 1
1 644 . 16 1 1 A 63 63 GLY CA C 686 45.297 45.297 0.000 1
1 645 . 16 1 1 A 63 63 GLY HA2 H 686 3.992 4.155 -0.163 1
1 646 . 16 1 1 A 64 64 ALA N N 687 123.584 124.647 -1.063 1
1 647 . 16 1 1 A 64 64 ALA H H 687 8.129 8.673 -0.544 1
1 648 . 16 1 1 A 64 64 ALA CA C 687 52.637 54.353 -1.716 1
1 649 . 16 1 1 A 64 64 ALA HA H 687 4.379 4.050 0.329 1
1 650 . 16 1 1 A 64 64 ALA CB C 687 19.122 17.986 1.136 1
1 654 . 16 1 1 A 65 65 ASP N N 688 118.924 119.898 -0.974 1
1 655 . 16 1 1 A 65 65 ASP H H 688 8.326 8.522 -0.196 1
1 656 . 16 1 1 A 65 65 ASP CA C 688 53.972 55.757 -1.785 1
1 657 . 16 1 1 A 65 65 ASP HA H 688 4.682 4.768 -0.086 1
1 658 . 16 1 1 A 65 65 ASP CB C 688 41.061 42.392 -1.331 1
1 660 . 16 1 1 A 66 66 SER N N 689 116.036 114.062 1.974 1
1 661 . 16 1 1 A 66 66 SER H H 689 8.285 8.242 0.043 1
1 662 . 16 1 1 A 66 66 SER CA C 689 58.352 56.670 1.682 1
1 663 . 16 1 1 A 66 66 SER HA H 689 4.443 4.689 -0.246 1
1 664 . 16 1 1 A 66 66 SER CB C 689 63.665 63.875 -0.210 1
1 666 . 16 1 1 A 67 67 THR N N 690 115.059 123.110 -8.051 1
1 667 . 16 1 1 A 67 67 THR H H 690 8.253 9.463 -1.210 1
1 668 . 16 1 1 A 67 67 THR CA C 690 62.556 62.934 -0.378 1
1 669 . 16 1 1 A 67 67 THR HA H 690 4.379 4.039 0.340 1
1 670 . 16 1 1 A 67 67 THR CB C 690 69.623 67.173 2.450 1
1 676 . 16 1 1 A 68 68 GLY N N 691 111.091 105.804 5.287 1
1 677 . 16 1 1 A 68 68 GLY H H 691 8.366 8.541 -0.175 1
1 678 . 16 1 1 A 68 68 GLY CA C 691 45.297 46.830 -1.533 1
1 679 . 16 1 1 A 68 68 GLY HA2 H 691 4.002 3.877 0.125 1
1 680 . 16 1 1 A 69 69 VAL N N 692 119.280 119.110 0.170 1
1 681 . 16 1 1 A 69 69 VAL H H 692 7.876 8.455 -0.579 1
1 682 . 16 1 1 A 69 69 VAL CA C 692 62.068 63.002 -0.934 1
1 683 . 16 1 1 A 69 69 VAL HA H 692 4.176 3.835 0.341 1
1 684 . 16 1 1 A 69 69 VAL CB C 692 32.322 30.366 1.956 1
1 690 . 16 1 1 A 70 70 VAL N N 693 123.601 126.566 -2.965 1
1 691 . 16 1 1 A 70 70 VAL H H 693 8.102 7.582 0.520 1
1 692 . 16 1 1 A 70 70 VAL CA C 693 61.886 59.713 2.173 1
1 693 . 16 1 1 A 70 70 VAL HA H 693 4.150 4.413 -0.263 1
1 694 . 16 1 1 A 70 70 VAL CB C 693 32.429 34.638 -2.209 1
1 700 . 16 1 1 A 71 71 ALA N N 694 129.048 124.297 4.751 1
1 701 . 16 1 1 A 71 71 ALA H H 694 8.374 8.585 -0.211 1
1 702 . 16 1 1 A 71 71 ALA CA C 694 52.125 54.351 -2.226 1
1 703 . 16 1 1 A 71 71 ALA HA H 694 4.454 3.996 0.458 1
1 704 . 16 1 1 A 71 71 ALA CB C 694 19.203 17.605 1.598 1
1 708 . 16 1 1 A 72 72 LYS N N 695 118.535 119.153 -0.618 1
1 709 . 16 1 1 A 72 72 LYS H H 695 7.833 8.059 -0.226 1
1 710 . 16 1 1 A 72 72 LYS CA C 695 54.556 59.280 -4.724 1
1 711 . 16 1 1 A 72 72 LYS HA H 695 4.827 3.955 0.872 1
1 712 . 16 1 1 A 72 72 LYS CB C 695 35.245 32.181 3.064 1
1 722 . 16 1 1 A 73 73 LEU N N 696 121.834 115.696 6.138 1
1 723 . 16 1 1 A 73 73 LEU H H 696 8.772 7.989 0.783 1
1 724 . 16 1 1 A 73 73 LEU CA C 696 54.973 56.574 -1.601 1
1 725 . 16 1 1 A 73 73 LEU HA H 696 4.268 4.269 -0.001 1
1 726 . 16 1 1 A 73 73 LEU CB C 696 42.467 43.528 -1.061 1
1 739 . 16 1 1 A 74 74 SER N N 697 121.120 110.785 10.335 1
1 740 . 16 1 1 A 74 74 SER H H 697 8.890 8.073 0.817 1
1 741 . 16 1 1 A 74 74 SER CA C 697 56.165 57.629 -1.464 1
1 742 . 16 1 1 A 74 74 SER HA H 697 4.710 4.589 0.121 1
1 743 . 16 1 1 A 74 74 SER CB C 697 62.177 65.197 -3.020 1
1 745 . 16 1 1 A 75 75 PRO CA C 698 66.251 64.644 1.607 1
1 746 . 16 1 1 A 75 75 PRO HA H 698 4.350 4.343 0.007 1
1 747 . 16 1 1 A 75 75 PRO CB C 698 31.661 32.045 -0.384 1
1 755 . 16 1 1 A 76 76 ALA N N 699 117.914 119.546 -1.632 1
1 756 . 16 1 1 A 76 76 ALA H H 699 8.458 8.138 0.320 1
1 757 . 16 1 1 A 76 76 ALA CA C 699 55.000 55.128 -0.128 1
1 758 . 16 1 1 A 76 76 ALA HA H 699 4.132 4.071 0.061 1
1 759 . 16 1 1 A 76 76 ALA CB C 699 18.785 18.982 -0.197 1
1 763 . 16 1 1 A 77 77 ASN N N 700 116.945 116.506 0.439 1
1 764 . 16 1 1 A 77 77 ASN H H 700 7.760 8.461 -0.701 1
1 765 . 16 1 1 A 77 77 ASN CA C 700 55.210 55.650 -0.440 1
1 766 . 16 1 1 A 77 77 ASN HA H 700 4.763 4.279 0.484 1
1 767 . 16 1 1 A 77 77 ASN CB C 700 38.005 37.713 0.292 1
1 770 . 16 1 1 A 78 78 GLN N N 701 124.719 120.770 3.949 1
1 771 . 16 1 1 A 78 78 GLN H H 701 9.480 9.130 0.350 1
1 772 . 16 1 1 A 78 78 GLN CA C 701 59.634 59.416 0.218 1
1 773 . 16 1 1 A 78 78 GLN HA H 701 3.673 3.992 -0.319 1
1 774 . 16 1 1 A 78 78 GLN CB C 701 27.114 28.345 -1.231 1
1 782 . 16 1 1 A 79 79 ARG N N 702 117.069 119.594 -2.525 1
1 783 . 16 1 1 A 79 79 ARG H H 702 7.654 7.932 -0.278 1
1 784 . 16 1 1 A 79 79 ARG CA C 702 57.561 59.360 -1.799 1
1 785 . 16 1 1 A 79 79 ARG HA H 702 4.487 4.036 0.451 1
1 786 . 16 1 1 A 79 79 ARG CB C 702 29.680 30.025 -0.345 1
1 794 . 16 1 1 A 80 80 LYS N N 703 119.251 117.689 1.562 1
1 795 . 16 1 1 A 80 80 LYS H H 703 7.636 7.870 -0.234 1
1 796 . 16 1 1 A 80 80 LYS CA C 703 60.735 58.898 1.837 1
1 797 . 16 1 1 A 80 80 LYS HA H 703 3.702 4.251 -0.549 1
1 798 . 16 1 1 A 80 80 LYS CB C 703 34.002 32.942 1.060 1
1 808 . 16 1 1 A 81 81 CYS N N 704 115.848 118.840 -2.992 1
1 809 . 16 1 1 A 81 81 CYS H H 704 8.031 7.943 0.088 1
1 810 . 16 1 1 A 81 81 CYS CA C 704 64.823 61.124 3.699 1
1 811 . 16 1 1 A 81 81 CYS HA H 704 3.687 4.300 -0.613 1
1 812 . 16 1 1 A 81 81 CYS CB C 704 26.491 27.524 -1.033 1
1 815 . 16 1 1 A 82 82 GLU N N 705 118.931 120.780 -1.849 1
1 816 . 16 1 1 A 82 82 GLU H H 705 8.286 8.244 0.042 1
1 817 . 16 1 1 A 82 82 GLU CA C 705 59.887 59.343 0.544 1
1 818 . 16 1 1 A 82 82 GLU HA H 705 3.589 4.300 -0.711 1
1 819 . 16 1 1 A 82 82 GLU CB C 705 29.067 29.691 -0.624 1
1 825 . 16 1 1 A 83 83 ARG N N 706 119.029 119.621 -0.592 1
1 826 . 16 1 1 A 83 83 ARG H H 706 7.931 7.602 0.329 1
1 827 . 16 1 1 A 83 83 ARG CA C 706 60.133 58.581 1.552 1
1 828 . 16 1 1 A 83 83 ARG HA H 706 3.748 4.083 -0.335 1
1 829 . 16 1 1 A 83 83 ARG CB C 706 30.197 29.979 0.218 1
1 838 . 16 1 1 A 84 84 VAL N N 707 119.247 119.896 -0.649 1
1 839 . 16 1 1 A 84 84 VAL H H 707 7.762 7.300 0.462 1
1 840 . 16 1 1 A 84 84 VAL CA C 707 67.133 66.026 1.107 1
1 841 . 16 1 1 A 84 84 VAL HA H 707 3.562 3.630 -0.068 1
1 842 . 16 1 1 A 84 84 VAL CB C 707 31.857 31.609 0.248 1
1 852 . 16 1 1 A 85 85 LEU N N 708 119.414 119.383 0.031 1
1 853 . 16 1 1 A 85 85 LEU H H 708 8.844 9.152 -0.308 1
1 854 . 16 1 1 A 85 85 LEU CA C 708 57.561 58.554 -0.993 1
1 855 . 16 1 1 A 85 85 LEU HA H 708 4.366 4.512 -0.146 1
1 856 . 16 1 1 A 85 85 LEU CB C 708 41.320 41.481 -0.161 1
1 869 . 16 1 1 A 86 86 LEU N N 709 120.156 120.755 -0.599 1
1 870 . 16 1 1 A 86 86 LEU H H 709 9.044 8.023 1.021 1
1 871 . 16 1 1 A 86 86 LEU CA C 709 57.977 58.294 -0.317 1
1 872 . 16 1 1 A 86 86 LEU HA H 709 4.382 4.177 0.205 1
1 873 . 16 1 1 A 86 86 LEU CB C 709 41.069 41.731 -0.662 1
1 886 . 16 1 1 A 87 87 ALA N N 710 121.264 120.651 0.613 1
1 887 . 16 1 1 A 87 87 ALA H H 710 8.136 8.311 -0.175 1
1 888 . 16 1 1 A 87 87 ALA CA C 710 55.439 55.758 -0.319 1
1 889 . 16 1 1 A 87 87 ALA HA H 710 4.217 4.424 -0.207 1
1 890 . 16 1 1 A 87 87 ALA CB C 710 17.525 18.815 -1.290 1
1 894 . 16 1 1 A 88 88 LEU N N 711 117.148 120.123 -2.975 1
1 895 . 16 1 1 A 88 88 LEU H H 711 8.158 9.080 -0.922 1
1 896 . 16 1 1 A 88 88 LEU CA C 711 58.688 58.371 0.317 1
1 897 . 16 1 1 A 88 88 LEU HA H 711 4.401 3.786 0.615 1
1 898 . 16 1 1 A 88 88 LEU CB C 711 41.534 41.915 -0.381 1
1 911 . 16 1 1 A 89 89 PHE N N 712 117.048 117.693 -0.645 1
1 912 . 16 1 1 A 89 89 PHE H H 712 8.536 9.181 -0.645 1
1 913 . 16 1 1 A 89 89 PHE CA C 712 62.732 60.997 1.735 1
1 914 . 16 1 1 A 89 89 PHE HA H 712 3.971 4.718 -0.747 1
1 915 . 16 1 1 A 89 89 PHE CB C 712 40.351 39.145 1.206 1
1 922 . 16 1 1 A 90 90 CYS N N 713 111.682 117.030 -5.348 1
1 923 . 16 1 1 A 90 90 CYS H H 713 7.689 9.090 -1.401 1
1 924 . 16 1 1 A 90 90 CYS CA C 713 60.573 62.001 -1.428 1
1 925 . 16 1 1 A 90 90 CYS HA H 713 4.614 4.226 0.388 1
1 926 . 16 1 1 A 90 90 CYS CB C 713 28.820 27.475 1.345 1
1 929 . 16 1 1 A 91 91 HIS N N 714 123.036 117.408 5.628 1
1 930 . 16 1 1 A 91 91 HIS H H 714 7.517 7.708 -0.191 1
1 931 . 16 1 1 A 91 91 HIS CA C 714 54.945 54.418 0.527 1
1 932 . 16 1 1 A 91 91 HIS HA H 714 4.939 4.529 0.410 1
1 933 . 16 1 1 A 91 91 HIS CB C 714 31.433 31.841 -0.408 1
1 940 . 16 1 1 A 92 92 GLU CA C 715 61.506 60.732 0.774 1
1 941 . 16 1 1 A 92 92 GLU HA H 715 4.052 3.920 0.132 1
1 942 . 16 1 1 A 92 92 GLU CB C 715 26.765 29.310 -2.545 1
1 947 . 16 1 1 A 93 93 PRO CA C 716 65.272 66.461 -1.189 1
1 948 . 16 1 1 A 93 93 PRO HA H 716 4.294 4.417 -0.123 1
1 949 . 16 1 1 A 93 93 PRO CB C 716 31.486 31.075 0.411 1
1 958 . 16 1 1 A 94 94 CYS N N 717 110.309 115.572 -5.263 1
1 959 . 16 1 1 A 94 94 CYS H H 717 7.667 8.495 -0.828 1
1 960 . 16 1 1 A 94 94 CYS CA C 717 58.484 62.224 -3.740 1
1 961 . 16 1 1 A 94 94 CYS HA H 717 4.406 3.965 0.441 1
1 962 . 16 1 1 A 94 94 CYS CB C 717 28.612 27.157 1.455 1
1 965 . 16 1 1 A 95 95 ARG N N 718 122.655 120.151 2.504 1
1 966 . 16 1 1 A 95 95 ARG H H 718 7.928 8.375 -0.447 1
1 967 . 16 1 1 A 95 95 ARG CA C 718 60.829 60.309 0.520 1
1 968 . 16 1 1 A 95 95 ARG HA H 718 3.740 2.949 0.791 1
1 969 . 16 1 1 A 95 95 ARG CB C 718 28.131 29.093 -0.962 1
1 977 . 16 1 1 A 96 96 PRO CA C 719 65.328 66.297 -0.969 1
1 978 . 16 1 1 A 96 96 PRO HA H 719 4.456 4.201 0.255 1
1 979 . 16 1 1 A 96 96 PRO CB C 719 31.665 30.694 0.971 1
1 987 . 16 1 1 A 97 97 LEU N N 720 112.429 116.564 -4.135 1
1 988 . 16 1 1 A 97 97 LEU H H 720 7.720 7.370 0.350 1
1 989 . 16 1 1 A 97 97 LEU CA C 720 54.707 57.214 -2.507 1
1 990 . 16 1 1 A 97 97 LEU HA H 720 4.228 3.701 0.527 1
1 991 . 16 1 1 A 97 97 LEU CB C 720 40.391 41.243 -0.852 1
1 1004 . 16 1 1 A 98 98 HIS N N 721 118.891 116.864 2.027 1
1 1005 . 16 1 1 A 98 98 HIS H H 721 7.964 8.554 -0.590 1
1 1006 . 16 1 1 A 98 98 HIS CA C 721 60.901 57.932 2.969 1
1 1007 . 16 1 1 A 98 98 HIS HA H 721 4.190 4.012 0.178 1
1 1008 . 16 1 1 A 98 98 HIS CB C 721 31.678 29.655 2.023 1
1 1015 . 16 1 1 A 99 99 GLN N N 722 116.787 115.732 1.055 1
1 1016 . 16 1 1 A 99 99 GLN H H 722 8.090 7.617 0.473 1
1 1017 . 16 1 1 A 99 99 GLN CA C 722 55.180 54.962 0.218 1
1 1018 . 16 1 1 A 99 99 GLN HA H 722 4.808 4.521 0.287 1
1 1019 . 16 1 1 A 99 99 GLN CB C 722 30.690 30.905 -0.215 1
1 1024 . 16 1 1 A 100 100 LEU H H 723 9.277 8.503 0.774 1
1 1025 . 16 1 1 A 100 100 LEU CA C 723 55.397 55.365 0.032 1
1 1026 . 16 1 1 A 100 100 LEU HA H 723 4.566 4.558 0.008 1
1 1027 . 16 1 1 A 100 100 LEU CB C 723 43.862 44.216 -0.354 1
1 1040 . 16 1 1 A 101 101 ALA N N 724 123.211 121.281 1.930 1
1 1041 . 16 1 1 A 101 101 ALA H H 724 8.577 7.607 0.970 1
1 1042 . 16 1 1 A 101 101 ALA CA C 724 52.591 51.833 0.758 1
1 1043 . 16 1 1 A 101 101 ALA HA H 724 4.392 4.343 0.049 1
1 1044 . 16 1 1 A 101 101 ALA CB C 724 19.262 20.001 -0.739 1
1 1048 . 16 1 1 A 102 102 THR N N 725 112.189 110.792 1.397 1
1 1049 . 16 1 1 A 102 102 THR H H 725 8.069 8.310 -0.241 1
1 1050 . 16 1 1 A 102 102 THR CA C 725 61.802 60.815 0.987 1
1 1051 . 16 1 1 A 102 102 THR HA H 725 4.366 4.772 -0.406 1
1 1052 . 16 1 1 A 102 102 THR CB C 725 69.684 68.995 0.689 1
1 1058 . 16 1 1 A 103 103 ASP N N 726 121.846 123.783 -1.937 1
1 1059 . 16 1 1 A 103 103 ASP H H 726 8.195 8.273 -0.078 1
1 1060 . 16 1 1 A 103 103 ASP CA C 726 54.057 57.286 -3.229 1
1 1061 . 16 1 1 A 103 103 ASP HA H 726 4.681 4.397 0.284 1
1 1062 . 16 1 1 A 103 103 ASP CB C 726 41.228 40.327 0.901 1
1 1064 . 16 1 1 A 104 104 SER N N 727 116.230 114.197 2.033 1
1 1065 . 16 1 1 A 104 104 SER H H 727 8.260 8.113 0.147 1
1 1066 . 16 1 1 A 104 104 SER CA C 727 58.945 60.524 -1.579 1
1 1067 . 16 1 1 A 104 104 SER HA H 727 4.468 4.287 0.181 1
1 1068 . 16 1 1 A 104 104 SER CB C 727 63.856 62.763 1.093 1
1 1070 . 16 1 1 A 105 105 THR N N 728 115.362 118.310 -2.948 1
1 1071 . 16 1 1 A 105 105 THR H H 728 8.205 8.156 0.049 1
1 1072 . 16 1 1 A 105 105 THR CA C 728 62.744 60.611 2.133 1
1 1073 . 16 1 1 A 105 105 THR HA H 728 4.238 4.504 -0.266 1
1 1074 . 16 1 1 A 105 105 THR CB C 728 69.490 68.712 0.778 1
1 1080 . 16 1 1 A 106 106 PHE N N 729 121.735 123.167 -1.432 1
1 1081 . 16 1 1 A 106 106 PHE H H 729 8.047 8.018 0.029 1
1 1082 . 16 1 1 A 106 106 PHE CA C 729 57.966 57.299 0.667 1
1 1083 . 16 1 1 A 106 106 PHE HA H 729 4.626 4.722 -0.096 1
1 1084 . 16 1 1 A 106 106 PHE CB C 729 39.633 39.300 0.333 1
1 1090 . 16 1 1 A 107 107 SER N N 730 116.751 115.109 1.642 1
1 1091 . 16 1 1 A 107 107 SER H H 730 7.962 8.171 -0.209 1
1 1092 . 16 1 1 A 107 107 SER CA C 730 57.921 59.551 -1.630 1
1 1093 . 16 1 1 A 107 107 SER HA H 730 4.413 4.525 -0.112 1
1 1094 . 16 1 1 A 107 107 SER CB C 730 63.659 64.009 -0.350 1
1 1097 . 16 1 1 A 108 108 LEU N N 731 123.373 120.416 2.957 1
1 1098 . 16 1 1 A 108 108 LEU H H 731 8.212 8.113 0.099 1
1 1099 . 16 1 1 A 108 108 LEU CA C 731 55.650 57.645 -1.995 1
1 1100 . 16 1 1 A 108 108 LEU HA H 731 4.265 4.126 0.139 1
1 1101 . 16 1 1 A 108 108 LEU CB C 731 42.257 41.770 0.487 1
1 1113 . 16 1 1 A 109 109 ASP N N 732 118.496 119.867 -1.371 1
1 1114 . 16 1 1 A 109 109 ASP H H 732 8.172 8.291 -0.119 1
1 1115 . 16 1 1 A 109 109 ASP CA C 732 54.239 53.084 1.155 1
1 1116 . 16 1 1 A 109 109 ASP HA H 732 4.566 5.020 -0.454 1
1 1117 . 16 1 1 A 109 109 ASP CB C 732 41.124 42.221 -1.097 1
1 1120 . 16 1 1 A 110 110 GLN N N 733 119.403 120.906 -1.503 1
1 1121 . 16 1 1 A 110 110 GLN H H 733 7.707 7.381 0.326 1
1 1122 . 16 1 1 A 110 110 GLN CA C 733 53.251 54.075 -0.824 1
1 1123 . 16 1 1 A 110 110 GLN HA H 733 4.675 4.545 0.130 1
1 1124 . 16 1 1 A 110 110 GLN CB C 733 29.061 29.673 -0.612 1
1 1129 . 16 1 1 A 111 111 PRO CA C 734 63.869 65.523 -1.654 1
1 1130 . 16 1 1 A 111 111 PRO HA H 734 4.435 4.175 0.260 1
1 1131 . 16 1 1 A 111 111 PRO CB C 734 31.900 31.592 0.308 1
1 1139 . 16 1 1 A 112 112 GLY N N 735 109.783 104.511 5.272 1
1 1140 . 16 1 1 A 112 112 GLY H H 735 8.510 7.935 0.575 1
1 1141 . 16 1 1 A 112 112 GLY CA C 735 44.954 45.159 -0.205 1
1 1142 . 16 1 1 A 112 112 GLY HA3 H 735 3.903 4.026 -0.123 1
1 1143 . 16 1 1 A 112 112 GLY HA2 H 735 3.994 4.024 -0.030 1
1 1144 . 16 1 1 A 113 113 GLY N N 736 108.485 107.238 1.247 1
1 1145 . 16 1 1 A 113 113 GLY H H 736 8.138 7.919 0.219 1
1 1146 . 16 1 1 A 113 113 GLY CA C 736 44.755 45.483 -0.728 1
1 1147 . 16 1 1 A 113 113 GLY HA3 H 736 3.899 3.948 -0.049 1
1 1148 . 16 1 1 A 113 113 GLY HA2 H 736 3.964 3.947 0.017 1
1 1149 . 16 1 1 A 114 114 THR N N 737 116.361 116.917 -0.556 1
1 1150 . 16 1 1 A 114 114 THR H H 737 7.951 8.418 -0.467 1
1 1151 . 16 1 1 A 114 114 THR CA C 737 62.508 62.535 -0.027 1
1 1152 . 16 1 1 A 114 114 THR HA H 737 4.189 4.523 -0.334 1
1 1153 . 16 1 1 A 114 114 THR CB C 737 69.780 71.269 -1.489 1
1 1159 . 16 1 1 A 115 115 LEU N N 738 125.899 120.499 5.400 1
1 1160 . 16 1 1 A 115 115 LEU H H 738 8.575 8.066 0.509 1
1 1161 . 16 1 1 A 115 115 LEU CA C 738 54.534 56.879 -2.345 1
1 1162 . 16 1 1 A 115 115 LEU HA H 738 4.452 4.341 0.111 1
1 1163 . 16 1 1 A 115 115 LEU CB C 738 45.506 40.857 4.649 1
1 1176 . 16 1 1 A 116 116 ASP N N 739 115.416 119.869 -4.453 1
1 1177 . 16 1 1 A 116 116 ASP H H 739 6.819 8.337 -1.518 1
1 1178 . 16 1 1 A 116 116 ASP CA C 739 52.606 53.194 -0.588 1
1 1179 . 16 1 1 A 116 116 ASP HA H 739 4.472 4.884 -0.412 1
1 1180 . 16 1 1 A 116 116 ASP CB C 739 42.811 42.969 -0.158 1
1 1183 . 16 1 1 A 117 117 LEU N N 740 115.281 120.308 -5.027 1
1 1184 . 16 1 1 A 117 117 LEU H H 740 8.213 8.631 -0.418 1
1 1185 . 16 1 1 A 117 117 LEU CA C 740 57.750 57.106 0.644 1
1 1186 . 16 1 1 A 117 117 LEU HA H 740 3.841 3.748 0.093 1
1 1187 . 16 1 1 A 117 117 LEU CB C 740 42.005 40.842 1.163 1
1 1200 . 16 1 1 A 118 118 THR N N 741 116.995 111.251 5.744 1
1 1201 . 16 1 1 A 118 118 THR H H 741 8.152 7.872 0.280 1
1 1202 . 16 1 1 A 118 118 THR CA C 741 68.068 65.724 2.344 1
1 1203 . 16 1 1 A 118 118 THR HA H 741 4.054 4.094 -0.040 1
1 1204 . 16 1 1 A 118 118 THR CB C 741 68.392 68.536 -0.144 1
1 1210 . 16 1 1 A 119 119 LEU N N 742 127.180 124.264 2.916 1
1 1211 . 16 1 1 A 119 119 LEU H H 742 8.804 7.782 1.022 1
1 1212 . 16 1 1 A 119 119 LEU CA C 742 58.460 58.369 0.091 1
1 1213 . 16 1 1 A 119 119 LEU HA H 742 4.214 3.937 0.277 1
1 1214 . 16 1 1 A 119 119 LEU CB C 742 42.491 41.760 0.731 1
1 1227 . 16 1 1 A 120 120 ILE N N 743 120.880 118.984 1.896 1
1 1228 . 16 1 1 A 120 120 ILE H H 743 7.884 7.863 0.021 1
1 1229 . 16 1 1 A 120 120 ILE CA C 743 65.546 65.426 0.120 1
1 1230 . 16 1 1 A 120 120 ILE HA H 743 4.101 3.571 0.530 1
1 1231 . 16 1 1 A 120 120 ILE CB C 743 38.693 37.417 1.276 1
1 1244 . 16 1 1 A 121 121 ARG N N 744 119.772 120.693 -0.921 1
1 1245 . 16 1 1 A 121 121 ARG H H 744 8.792 8.710 0.082 1
1 1246 . 16 1 1 A 121 121 ARG CA C 744 60.369 59.441 0.928 1
1 1247 . 16 1 1 A 121 121 ARG HA H 744 3.896 3.857 0.039 1
1 1248 . 16 1 1 A 121 121 ARG CB C 744 30.241 30.143 0.098 1
1 1257 . 16 1 1 A 122 122 ALA N N 745 120.978 120.129 0.849 1
1 1258 . 16 1 1 A 122 122 ALA H H 745 8.303 7.719 0.584 1
1 1259 . 16 1 1 A 122 122 ALA CA C 745 55.203 54.980 0.223 1
1 1260 . 16 1 1 A 122 122 ALA HA H 745 4.246 4.047 0.199 1
1 1261 . 16 1 1 A 122 122 ALA CB C 745 18.005 18.232 -0.227 1
1 1265 . 16 1 1 A 123 123 ARG N N 746 119.408 118.457 0.951 1
1 1266 . 16 1 1 A 123 123 ARG H H 746 8.224 7.996 0.228 1
1 1267 . 16 1 1 A 123 123 ARG CA C 746 59.895 59.261 0.634 1
1 1268 . 16 1 1 A 123 123 ARG HA H 746 4.335 4.186 0.149 1
1 1269 . 16 1 1 A 123 123 ARG CB C 746 29.768 30.061 -0.293 1
1 1279 . 16 1 1 A 124 124 LEU N N 747 125.115 121.093 4.022 1
1 1280 . 16 1 1 A 124 124 LEU H H 747 9.029 7.805 1.224 1
1 1281 . 16 1 1 A 124 124 LEU CA C 747 57.559 57.282 0.277 1
1 1282 . 16 1 1 A 124 124 LEU HA H 747 4.925 3.457 1.468 1
1 1283 . 16 1 1 A 124 124 LEU CB C 747 42.721 40.726 1.995 1
1 1296 . 16 1 1 A 125 125 GLN N N 748 114.117 116.497 -2.380 1
1 1297 . 16 1 1 A 125 125 GLN H H 748 8.418 7.766 0.652 1
1 1298 . 16 1 1 A 125 125 GLN CA C 748 55.664 55.700 -0.036 1
1 1299 . 16 1 1 A 125 125 GLN HA H 748 4.444 4.345 0.099 1
1 1300 . 16 1 1 A 125 125 GLN CB C 748 29.301 29.311 -0.010 1
1 1309 . 16 1 1 A 126 126 GLU N N 749 113.381 118.227 -4.846 1
1 1310 . 16 1 1 A 126 126 GLU H H 749 7.978 8.323 -0.345 1
1 1311 . 16 1 1 A 126 126 GLU CA C 749 57.789 57.799 -0.010 1
1 1312 . 16 1 1 A 126 126 GLU HA H 749 4.156 4.448 -0.292 1
1 1313 . 16 1 1 A 126 126 GLU CB C 749 25.906 29.373 -3.467 1
1 1318 . 16 1 1 A 127 127 LYS N N 750 116.557 120.422 -3.865 1
1 1319 . 16 1 1 A 127 127 LYS H H 750 8.538 8.130 0.408 1
1 1320 . 16 1 1 A 127 127 LYS CA C 750 56.417 59.149 -2.732 1
1 1321 . 16 1 1 A 127 127 LYS HA H 750 4.344 4.132 0.212 1
1 1322 . 16 1 1 A 127 127 LYS CB C 750 33.029 31.972 1.057 1
1 1332 . 16 1 1 A 128 128 LEU N N 751 119.986 121.416 -1.430 1
1 1333 . 16 1 1 A 128 128 LEU H H 751 6.949 8.050 -1.101 1
1 1334 . 16 1 1 A 128 128 LEU CA C 751 53.476 55.417 -1.941 1
1 1335 . 16 1 1 A 128 128 LEU HA H 751 4.532 4.044 0.488 1
1 1336 . 16 1 1 A 128 128 LEU CB C 751 45.503 43.068 2.435 1
1 1349 . 16 1 1 A 129 129 SER N N 752 118.455 118.142 0.313 1
1 1350 . 16 1 1 A 129 129 SER H H 752 8.225 8.268 -0.043 1
1 1351 . 16 1 1 A 129 129 SER CA C 752 56.129 62.432 -6.303 1
1 1352 . 16 1 1 A 129 129 SER HA H 752 4.434 4.475 -0.041 1
1 1353 . 16 1 1 A 129 129 SER CB C 752 63.911 63.327 0.584 1
1 1356 . 16 1 1 A 130 130 PRO CA C 753 61.355 61.888 -0.533 1
1 1357 . 16 1 1 A 130 130 PRO HA H 753 5.026 4.651 0.375 1
1 1358 . 16 1 1 A 130 130 PRO CB C 753 32.831 32.929 -0.098 1
1 1366 . 16 1 1 A 131 131 PRO CA C 754 62.470 62.184 0.286 1
1 1367 . 16 1 1 A 131 131 PRO HA H 754 4.651 4.770 -0.119 1
1 1368 . 16 1 1 A 131 131 PRO CB C 754 32.403 32.731 -0.328 1
1 1377 . 16 1 1 A 132 132 TYR N N 755 121.321 121.476 -0.155 1
1 1378 . 16 1 1 A 132 132 TYR H H 755 9.635 8.544 1.091 1
1 1379 . 16 1 1 A 132 132 TYR CA C 755 60.382 57.764 2.618 1
1 1380 . 16 1 1 A 132 132 TYR HA H 755 4.433 5.407 -0.974 1
1 1381 . 16 1 1 A 132 132 TYR CB C 755 38.713 39.123 -0.410 1
1 1388 . 16 1 1 A 133 133 SER N N 756 114.917 116.950 -2.033 1
1 1389 . 16 1 1 A 133 133 SER H H 756 9.343 8.442 0.901 1
1 1390 . 16 1 1 A 133 133 SER CA C 756 58.776 58.627 0.149 1
1 1391 . 16 1 1 A 133 133 SER HA H 756 4.430 4.644 -0.214 1
1 1392 . 16 1 1 A 133 133 SER CB C 756 64.839 66.321 -1.482 1
1 1394 . 16 1 1 A 134 134 SER N N 757 112.021 114.118 -2.097 1
1 1395 . 16 1 1 A 134 134 SER H H 757 7.500 7.118 0.382 1
1 1396 . 16 1 1 A 134 134 SER CA C 757 56.158 55.796 0.362 1
1 1397 . 16 1 1 A 134 134 SER HA H 757 4.950 4.441 0.509 1
1 1398 . 16 1 1 A 134 134 SER CB C 757 63.906 65.049 -1.143 1
1 1401 . 16 1 1 A 135 135 PRO CA C 758 64.159 64.919 -0.760 1
1 1402 . 16 1 1 A 135 135 PRO HA H 758 4.132 4.325 -0.193 1
1 1403 . 16 1 1 A 135 135 PRO CB C 758 31.649 32.155 -0.506 1
1 1412 . 16 1 1 A 136 136 GLN N N 759 116.382 116.593 -0.211 1
1 1413 . 16 1 1 A 136 136 GLN H H 759 8.067 8.121 -0.054 1
1 1414 . 16 1 1 A 136 136 GLN CA C 759 59.483 58.670 0.813 1
1 1415 . 16 1 1 A 136 136 GLN HA H 759 3.963 4.091 -0.128 1
1 1416 . 16 1 1 A 136 136 GLN CB C 759 27.414 28.012 -0.598 1
1 1425 . 16 1 1 A 137 137 GLU N N 760 121.764 119.404 2.360 1
1 1426 . 16 1 1 A 137 137 GLU H H 760 7.826 8.670 -0.844 1
1 1427 . 16 1 1 A 137 137 GLU CA C 760 59.184 59.341 -0.157 1
1 1428 . 16 1 1 A 137 137 GLU HA H 760 4.063 4.048 0.015 1
1 1429 . 16 1 1 A 137 137 GLU CB C 760 30.403 29.308 1.095 1
1 1435 . 16 1 1 A 138 138 PHE N N 761 120.582 119.395 1.187 1
1 1436 . 16 1 1 A 138 138 PHE H H 761 6.900 8.351 -1.451 1
1 1437 . 16 1 1 A 138 138 PHE CA C 761 60.105 59.529 0.576 1
1 1438 . 16 1 1 A 138 138 PHE HA H 761 3.604 4.604 -1.000 1
1 1439 . 16 1 1 A 138 138 PHE CB C 761 38.271 38.533 -0.262 1
1 1448 . 16 1 1 A 139 139 ALA N N 762 120.917 124.106 -3.189 1
1 1449 . 16 1 1 A 139 139 ALA H H 762 8.399 8.982 -0.583 1
1 1450 . 16 1 1 A 139 139 ALA CA C 762 54.940 55.752 -0.812 1
1 1451 . 16 1 1 A 139 139 ALA HA H 762 3.804 4.537 -0.733 1
1 1452 . 16 1 1 A 139 139 ALA CB C 762 18.001 18.440 -0.439 1
1 1456 . 16 1 1 A 140 140 GLN N N 763 119.041 117.999 1.042 1
1 1457 . 16 1 1 A 140 140 GLN H H 763 8.436 8.244 0.192 1
1 1458 . 16 1 1 A 140 140 GLN CA C 763 58.474 58.515 -0.041 1
1 1459 . 16 1 1 A 140 140 GLN HA H 763 4.056 4.071 -0.015 1
1 1460 . 16 1 1 A 140 140 GLN CB C 763 28.345 28.337 0.008 1
1 1469 . 16 1 1 A 141 141 ASP N N 764 122.985 120.367 2.618 1
1 1470 . 16 1 1 A 141 141 ASP H H 764 7.694 7.683 0.011 1
1 1471 . 16 1 1 A 141 141 ASP CA C 764 57.087 56.609 0.478 1
1 1472 . 16 1 1 A 141 141 ASP HA H 764 4.517 4.483 0.034 1
1 1473 . 16 1 1 A 141 141 ASP CB C 764 39.897 40.701 -0.804 1
1 1476 . 16 1 1 A 142 142 VAL N N 765 119.630 121.120 -1.490 1
1 1477 . 16 1 1 A 142 142 VAL H H 765 7.431 8.121 -0.690 1
1 1478 . 16 1 1 A 142 142 VAL CA C 765 66.489 66.063 0.426 1
1 1479 . 16 1 1 A 142 142 VAL HA H 765 2.740 3.260 -0.520 1
1 1480 . 16 1 1 A 142 142 VAL CB C 765 30.729 31.212 -0.483 1
1 1490 . 16 1 1 A 143 143 GLY N N 766 104.089 107.531 -3.442 1
1 1491 . 16 1 1 A 143 143 GLY H H 766 8.089 8.649 -0.560 1
1 1492 . 16 1 1 A 143 143 GLY CA C 766 47.271 46.859 0.412 1
1 1493 . 16 1 1 A 143 143 GLY HA3 H 766 3.783 3.905 -0.122 1
1 1494 . 16 1 1 A 143 143 GLY HA2 H 766 3.870 3.835 0.035 1
1 1495 . 16 1 1 A 144 144 ARG N N 767 123.406 122.366 1.040 1
1 1496 . 16 1 1 A 144 144 ARG H H 767 8.270 7.939 0.331 1
1 1497 . 16 1 1 A 144 144 ARG CA C 767 59.627 59.337 0.290 1
1 1498 . 16 1 1 A 144 144 ARG HA H 767 4.026 4.095 -0.069 1
1 1499 . 16 1 1 A 144 144 ARG CB C 767 30.003 30.530 -0.527 1
1 1507 . 16 1 1 A 145 145 MET N N 768 121.310 119.005 2.305 1
1 1508 . 16 1 1 A 145 145 MET H H 768 8.053 8.244 -0.191 1
1 1509 . 16 1 1 A 145 145 MET CA C 768 58.727 59.273 -0.546 1
1 1510 . 16 1 1 A 145 145 MET HA H 768 3.932 3.926 0.006 1
1 1511 . 16 1 1 A 145 145 MET CB C 768 31.536 32.127 -0.591 1
1 1521 . 16 1 1 A 146 146 PHE N N 769 117.125 118.073 -0.948 1
1 1522 . 16 1 1 A 146 146 PHE H H 769 8.005 8.840 -0.835 1
1 1523 . 16 1 1 A 146 146 PHE CA C 769 59.441 61.641 -2.200 1
1 1524 . 16 1 1 A 146 146 PHE HA H 769 4.582 4.556 0.026 1
1 1525 . 16 1 1 A 146 146 PHE CB C 769 37.558 38.641 -1.083 1
1 1534 . 16 1 1 A 147 147 LYS N N 770 119.226 118.569 0.657 1
1 1535 . 16 1 1 A 147 147 LYS H H 770 8.078 7.852 0.226 1
1 1536 . 16 1 1 A 147 147 LYS CA C 770 59.479 59.709 -0.230 1
1 1537 . 16 1 1 A 147 147 LYS HA H 770 4.153 4.035 0.118 1
1 1538 . 16 1 1 A 147 147 LYS CB C 770 32.336 32.262 0.074 1
1 1547 . 16 1 1 A 148 148 GLN N N 771 118.870 117.907 0.963 1
1 1548 . 16 1 1 A 148 148 GLN H H 771 8.338 8.162 0.176 1
1 1549 . 16 1 1 A 148 148 GLN CA C 771 58.440 58.354 0.086 1
1 1550 . 16 1 1 A 148 148 GLN HA H 771 4.140 4.125 0.015 1
1 1551 . 16 1 1 A 148 148 GLN CB C 771 28.382 28.208 0.174 1
1 1560 . 16 1 1 A 149 149 PHE N N 772 120.162 121.613 -1.451 1
1 1561 . 16 1 1 A 149 149 PHE H H 772 8.411 8.802 -0.391 1
1 1562 . 16 1 1 A 149 149 PHE CA C 772 60.460 61.001 -0.541 1
1 1563 . 16 1 1 A 149 149 PHE HA H 772 4.433 4.277 0.156 1
1 1564 . 16 1 1 A 149 149 PHE CB C 772 39.428 39.276 0.152 1
1 1573 . 16 1 1 A 150 150 ASN N N 773 117.836 117.327 0.509 1
1 1574 . 16 1 1 A 150 150 ASN H H 773 8.279 8.641 -0.362 1
1 1575 . 16 1 1 A 150 150 ASN HA H 773 4.375 4.766 -0.391 1
1 1576 . 16 1 1 A 150 150 ASN CB C 773 38.977 38.373 0.604 1
1 1582 . 16 1 1 A 151 151 LYS N N 774 118.045 117.040 1.005 1
1 1583 . 16 1 1 A 151 151 LYS H H 774 7.648 7.550 0.098 1
1 1584 . 16 1 1 A 151 151 LYS CA C 774 57.563 57.715 -0.152 1
1 1585 . 16 1 1 A 151 151 LYS HA H 774 4.225 4.187 0.038 1
1 1586 . 16 1 1 A 151 151 LYS CB C 774 32.333 32.657 -0.324 1
1 1595 . 16 1 1 A 152 152 LEU N N 775 119.031 117.583 1.448 1
1 1596 . 16 1 1 A 152 152 LEU H H 775 7.825 7.863 -0.038 1
1 1597 . 16 1 1 A 152 152 LEU CA C 775 55.990 55.403 0.587 1
1 1598 . 16 1 1 A 152 152 LEU HA H 775 4.270 4.346 -0.076 1
1 1599 . 16 1 1 A 152 152 LEU CB C 775 42.487 42.971 -0.484 1
1 1612 . 16 1 1 A 153 153 THR N N 776 110.107 111.281 -1.174 1
1 1613 . 16 1 1 A 153 153 THR H H 776 7.525 7.876 -0.351 1
1 1614 . 16 1 1 A 153 153 THR CA C 776 61.535 62.674 -1.139 1
1 1615 . 16 1 1 A 153 153 THR HA H 776 4.332 4.218 0.114 1
1 1616 . 16 1 1 A 153 153 THR CB C 776 69.570 68.710 0.860 1
1 1622 . 16 1 1 A 154 154 GLU N N 777 122.427 122.885 -0.458 1
1 1623 . 16 1 1 A 154 154 GLU H H 777 8.027 8.842 -0.815 1
1 1624 . 16 1 1 A 154 154 GLU CA C 777 57.720 58.958 -1.238 1
1 1625 . 16 1 1 A 154 154 GLU HA H 777 4.216 4.013 0.203 1
1 1626 . 16 1 1 A 154 154 GLU CB C 777 29.977 28.797 1.180 1
1 1631 . 16 1 1 A 155 155 ASP N N 778 119.283 119.388 -0.105 1
1 1632 . 16 1 1 A 155 155 ASP H H 778 8.372 7.847 0.525 1
1 1633 . 16 1 1 A 155 155 ASP CA C 778 54.709 56.255 -1.546 1
1 1634 . 16 1 1 A 155 155 ASP HA H 778 4.602 4.487 0.115 1
1 1635 . 16 1 1 A 155 155 ASP CB C 778 40.600 40.993 -0.393 1
1 1638 . 16 1 1 A 156 156 LYS N N 779 120.684 117.678 3.006 1
1 1639 . 16 1 1 A 156 156 LYS H H 779 8.068 7.563 0.505 1
1 1640 . 16 1 1 A 156 156 LYS CA C 779 56.388 55.562 0.826 1
1 1641 . 16 1 1 A 156 156 LYS HA H 779 4.333 4.386 -0.053 1
1 1642 . 16 1 1 A 156 156 LYS CB C 779 32.814 33.598 -0.784 1
1 1651 . 16 1 1 A 157 157 ALA N N 780 123.182 123.204 -0.022 1
1 1652 . 16 1 1 A 157 157 ALA H H 780 8.197 8.402 -0.205 1
1 1653 . 16 1 1 A 157 157 ALA CA C 780 52.591 54.690 -2.099 1
1 1654 . 16 1 1 A 157 157 ALA HA H 780 4.337 4.168 0.169 1
1 1655 . 16 1 1 A 157 157 ALA CB C 780 19.186 19.049 0.137 1
1 1659 . 16 1 1 A 158 158 ASP N N 781 118.794 113.782 5.012 1
1 1660 . 16 1 1 A 158 158 ASP H H 781 8.222 7.105 1.117 1
1 1661 . 16 1 1 A 158 158 ASP CA C 781 54.003 55.406 -1.403 1
1 1662 . 16 1 1 A 158 158 ASP HA H 781 4.673 4.703 -0.030 1
1 1663 . 16 1 1 A 158 158 ASP CB C 781 41.075 41.977 -0.902 1
1 1666 . 16 1 1 A 159 159 VAL N N 782 120.713 117.384 3.329 1
1 1667 . 16 1 1 A 159 159 VAL H H 782 8.039 8.265 -0.226 1
1 1668 . 16 1 1 A 159 159 VAL CA C 782 63.898 64.416 -0.518 1
1 1669 . 16 1 1 A 159 159 VAL HA H 782 4.028 4.024 0.004 1
1 1670 . 16 1 1 A 159 159 VAL CB C 782 32.181 32.405 -0.224 1
1 1680 . 16 1 1 A 160 160 GLN N N 783 120.756 121.873 -1.117 1
1 1681 . 16 1 1 A 160 160 GLN H H 783 8.370 8.346 0.024 1
1 1682 . 16 1 1 A 160 160 GLN CA C 783 57.563 57.399 0.164 1
1 1683 . 16 1 1 A 160 160 GLN HA H 783 4.219 4.076 0.143 1
1 1684 . 16 1 1 A 160 160 GLN CB C 783 28.410 28.134 0.276 1
1 1691 . 16 1 1 A 161 161 SER N N 784 116.111 114.320 1.791 1
1 1692 . 16 1 1 A 161 161 SER H H 784 8.190 7.813 0.377 1
1 1693 . 16 1 1 A 161 161 SER CA C 784 60.089 60.622 -0.533 1
1 1694 . 16 1 1 A 161 161 SER HA H 784 4.361 4.381 -0.020 1
1 1695 . 16 1 1 A 161 161 SER CB C 784 62.955 63.343 -0.388 1
1 1698 . 16 1 1 A 162 162 ILE N N 785 122.105 122.491 -0.386 1
1 1699 . 16 1 1 A 162 162 ILE H H 785 8.014 7.667 0.347 1
1 1700 . 16 1 1 A 162 162 ILE CA C 785 62.963 64.137 -1.174 1
1 1701 . 16 1 1 A 162 162 ILE HA H 785 3.986 3.440 0.546 1
1 1702 . 16 1 1 A 162 162 ILE CB C 785 37.568 37.672 -0.104 1
1 1715 . 16 1 1 A 163 163 ILE N N 786 122.150 119.963 2.187 1
1 1716 . 16 1 1 A 163 163 ILE H H 786 7.913 8.697 -0.784 1
1 1717 . 16 1 1 A 163 163 ILE CA C 786 64.074 65.177 -1.103 1
1 1718 . 16 1 1 A 163 163 ILE HA H 786 3.947 3.667 0.280 1
1 1719 . 16 1 1 A 163 163 ILE CB C 786 37.561 37.917 -0.356 1
1 1732 . 16 1 1 A 164 164 GLY N N 787 107.177 108.029 -0.852 1
1 1733 . 16 1 1 A 164 164 GLY H H 787 8.057 8.226 -0.169 1
1 1734 . 16 1 1 A 164 164 GLY CA C 787 46.938 47.085 -0.147 1
1 1735 . 16 1 1 A 164 164 GLY HA3 H 787 3.907 3.822 0.085 1
1 1736 . 16 1 1 A 164 164 GLY HA2 H 787 4.007 3.794 0.213 1
1 1737 . 16 1 1 A 165 165 LEU N N 788 123.590 123.024 0.566 1
1 1738 . 16 1 1 A 165 165 LEU H H 788 7.676 7.494 0.182 1
1 1739 . 16 1 1 A 165 165 LEU CA C 788 57.738 57.028 0.710 1
1 1740 . 16 1 1 A 165 165 LEU HA H 788 4.052 3.803 0.249 1
1 1741 . 16 1 1 A 165 165 LEU CB C 788 40.833 41.434 -0.601 1
1 1753 . 16 1 1 A 166 166 GLN N N 789 119.114 117.535 1.579 1
1 1754 . 16 1 1 A 166 166 GLN H H 789 7.956 9.006 -1.050 1
1 1755 . 16 1 1 A 166 166 GLN CA C 789 59.445 59.193 0.252 1
1 1756 . 16 1 1 A 166 166 GLN HA H 789 3.844 3.195 0.649 1
1 1757 . 16 1 1 A 166 166 GLN CB C 789 27.826 28.295 -0.469 1
1 1765 . 16 1 1 A 167 167 ARG N N 790 118.851 119.860 -1.009 1
1 1766 . 16 1 1 A 167 167 ARG H H 790 8.387 8.710 -0.323 1
1 1767 . 16 1 1 A 167 167 ARG CA C 790 58.942 59.326 -0.384 1
1 1768 . 16 1 1 A 167 167 ARG HA H 790 4.191 4.130 0.061 1
1 1769 . 16 1 1 A 167 167 ARG CB C 790 29.829 29.951 -0.122 1
1 1776 . 16 1 1 A 168 168 PHE N N 791 122.408 120.908 1.500 1
1 1777 . 16 1 1 A 168 168 PHE H H 791 8.127 7.756 0.371 1
1 1778 . 16 1 1 A 168 168 PHE CA C 791 61.976 61.965 0.011 1
1 1779 . 16 1 1 A 168 168 PHE HA H 791 4.164 4.223 -0.059 1
1 1780 . 16 1 1 A 168 168 PHE CB C 791 38.894 39.550 -0.656 1
1 1788 . 16 1 1 A 169 169 PHE N N 792 119.223 120.586 -1.363 1
1 1789 . 16 1 1 A 169 169 PHE H H 792 8.500 9.015 -0.515 1
1 1790 . 16 1 1 A 169 169 PHE CA C 792 61.093 61.527 -0.434 1
1 1791 . 16 1 1 A 169 169 PHE HA H 792 4.053 4.463 -0.410 1
1 1792 . 16 1 1 A 169 169 PHE CB C 792 39.182 40.013 -0.831 1
1 1800 . 16 1 1 A 170 170 GLU N N 793 119.089 118.474 0.615 1
1 1801 . 16 1 1 A 170 170 GLU H H 793 8.718 8.600 0.118 1
1 1802 . 16 1 1 A 170 170 GLU CA C 793 59.843 58.951 0.892 1
1 1803 . 16 1 1 A 170 170 GLU HA H 793 3.483 4.251 -0.768 1
1 1804 . 16 1 1 A 170 170 GLU CB C 793 29.372 29.637 -0.265 1
1 1810 . 16 1 1 A 171 171 THR N N 794 115.081 116.734 -1.653 1
1 1811 . 16 1 1 A 171 171 THR H H 794 8.205 7.998 0.207 1
1 1812 . 16 1 1 A 171 171 THR CA C 794 66.661 64.398 2.263 1
1 1813 . 16 1 1 A 171 171 THR HA H 794 3.935 4.177 -0.242 1
1 1814 . 16 1 1 A 171 171 THR CB C 794 68.604 69.137 -0.533 1
1 1820 . 16 1 1 A 172 172 ARG N N 795 120.165 120.950 -0.785 1
1 1821 . 16 1 1 A 172 172 ARG H H 795 7.776 7.798 -0.022 1
1 1822 . 16 1 1 A 172 172 ARG CA C 795 57.535 58.595 -1.060 1
1 1823 . 16 1 1 A 172 172 ARG HA H 795 4.030 3.950 0.080 1
1 1824 . 16 1 1 A 172 172 ARG CB C 795 29.886 29.449 0.437 1
1 1828 . 16 1 1 A 173 173 MET N N 796 120.347 119.301 1.046 1
1 1829 . 16 1 1 A 173 173 MET H H 796 8.503 7.520 0.983 1
1 1830 . 16 1 1 A 173 173 MET CA C 796 57.453 57.945 -0.492 1
1 1831 . 16 1 1 A 173 173 MET HA H 796 4.383 4.165 0.218 1
1 1832 . 16 1 1 A 173 173 MET CB C 796 30.469 32.038 -1.569 1
1 1840 . 16 1 1 A 174 174 ASN N N 797 119.200 117.699 1.501 1
1 1841 . 16 1 1 A 174 174 ASN H H 797 8.351 8.048 0.303 1
1 1842 . 16 1 1 A 174 174 ASN CA C 797 55.851 56.417 -0.566 1
1 1843 . 16 1 1 A 174 174 ASN HA H 797 4.510 4.386 0.124 1
1 1844 . 16 1 1 A 174 174 ASN CB C 797 38.213 38.744 -0.531 1
1 1850 . 16 1 1 A 175 175 GLU N N 798 119.589 119.086 0.503 1
1 1851 . 16 1 1 A 175 175 GLU H H 798 7.896 8.379 -0.483 1
1 1852 . 16 1 1 A 175 175 GLU CA C 798 59.033 58.936 0.097 1
1 1853 . 16 1 1 A 175 175 GLU HA H 798 3.967 4.085 -0.118 1
1 1854 . 16 1 1 A 175 175 GLU CB C 798 29.296 29.519 -0.223 1
1 1860 . 16 1 1 A 176 176 ALA N N 799 116.937 122.578 -5.641 1
1 1861 . 16 1 1 A 176 176 ALA H H 799 8.030 8.009 0.021 1
1 1862 . 16 1 1 A 176 176 ALA CA C 799 54.179 55.095 -0.916 1
1 1863 . 16 1 1 A 176 176 ALA HA H 799 4.085 4.169 -0.084 1
1 1864 . 16 1 1 A 176 176 ALA CB C 799 19.432 18.562 0.870 1
1 1868 . 16 1 1 A 177 177 PHE N N 800 112.840 116.207 -3.367 1
1 1869 . 16 1 1 A 177 177 PHE H H 800 8.544 7.700 0.844 1
1 1870 . 16 1 1 A 177 177 PHE CA C 800 59.182 59.951 -0.769 1
1 1871 . 16 1 1 A 177 177 PHE HA H 800 4.515 4.394 0.121 1
1 1872 . 16 1 1 A 177 177 PHE CB C 800 39.642 39.793 -0.151 1
1 1881 . 16 1 1 A 178 178 GLY N N 801 110.339 103.387 6.952 1
1 1882 . 16 1 1 A 178 178 GLY H H 801 7.974 7.668 0.306 1
1 1883 . 16 1 1 A 178 178 GLY CA C 801 45.607 45.827 -0.220 1
1 1884 . 16 1 1 A 178 178 GLY HA3 H 801 3.988 4.139 -0.151 1
1 1885 . 16 1 1 A 178 178 GLY HA2 H 801 4.031 4.114 -0.083 1
1 1886 . 16 1 1 A 179 179 ASP N N 802 119.627 121.617 -1.990 1
1 1887 . 16 1 1 A 179 179 ASP H H 802 8.185 8.239 -0.054 1
1 1888 . 16 1 1 A 179 179 ASP CA C 802 53.949 55.297 -1.348 1
1 1889 . 16 1 1 A 179 179 ASP HA H 802 4.679 4.792 -0.113 1
1 1890 . 16 1 1 A 179 179 ASP CB C 802 41.070 42.080 -1.010 1
1 1892 . 16 1 1 A 180 180 THR N N 803 113.769 112.394 1.375 1
1 1893 . 16 1 1 A 180 180 THR H H 803 8.037 8.300 -0.263 1
1 1894 . 16 1 1 A 180 180 THR CA C 803 61.885 62.658 -0.773 1
1 1895 . 16 1 1 A 180 180 THR HA H 803 4.331 4.463 -0.132 1
1 1896 . 16 1 1 A 180 180 THR CB C 803 70.002 69.120 0.882 1
1 1902 . 16 1 1 A 181 181 LYS N N 804 122.277 119.290 2.987 1
1 1903 . 16 1 1 A 181 181 LYS H H 804 8.198 8.959 -0.761 1
1 1904 . 16 1 1 A 181 181 LYS CA C 804 56.652 57.655 -1.003 1
1 1905 . 16 1 1 A 181 181 LYS HA H 804 4.151 3.703 0.448 1
1 1906 . 16 1 1 A 181 181 LYS CB C 804 32.377 30.290 2.087 1
1 1914 . 16 1 1 A 182 182 PHE N N 805 119.784 118.421 1.363 1
1 1915 . 16 1 1 A 182 182 PHE H H 805 8.206 8.130 0.076 1
1 1916 . 16 1 1 A 182 182 PHE CA C 805 57.256 58.667 -1.411 1
1 1917 . 16 1 1 A 182 182 PHE HA H 805 4.664 4.338 0.326 1
1 1918 . 16 1 1 A 182 182 PHE CB C 805 38.774 38.627 0.147 1
1 1927 . 16 1 1 A 183 183 SER N N 806 123.742 115.220 8.522 1
1 1928 . 16 1 1 A 183 183 SER H H 806 8.121 8.894 -0.773 1
1 1929 . 16 1 1 A 183 183 SER CA C 806 58.203 60.699 -2.496 1
1 1930 . 16 1 1 A 183 183 SER HA H 806 4.361 4.075 0.286 1
1 1931 . 16 1 1 A 183 183 SER CB C 806 63.764 61.834 1.930 1
1 1934 . 16 1 1 A 184 184 ALA N N 807 125.704 117.930 7.774 1
1 1935 . 16 1 1 A 184 184 ALA H H 807 8.286 7.534 0.752 1
1 1936 . 16 1 1 A 184 184 ALA CA C 807 52.574 51.025 1.549 1
1 1937 . 16 1 1 A 184 184 ALA HA H 807 4.360 4.126 0.234 1
1 1938 . 16 1 1 A 184 184 ALA CB C 807 18.947 19.197 -0.250 1
1 1942 . 16 1 1 A 185 185 VAL N N 808 118.271 115.077 3.194 1
1 1943 . 16 1 1 A 185 185 VAL H H 808 7.958 8.775 -0.817 1
1 1944 . 16 1 1 A 185 185 VAL CA C 808 62.216 62.729 -0.513 1
1 1945 . 16 1 1 A 185 185 VAL HA H 808 4.151 4.059 0.092 1
1 1946 . 16 1 1 A 185 185 VAL CB C 808 32.178 31.658 0.520 1
1 1952 . 16 1 1 A 186 186 LEU N N 809 125.280 121.239 4.041 1
1 1953 . 16 1 1 A 186 186 LEU H H 809 8.195 7.589 0.606 1
1 1954 . 16 1 1 A 186 186 LEU CA C 809 54.474 54.637 -0.163 1
1 1955 . 16 1 1 A 186 186 LEU HA H 809 4.430 4.475 -0.045 1
1 1956 . 16 1 1 A 186 186 LEU CB C 809 42.303 41.884 0.419 1
1 1968 . 16 1 1 A 187 187 VAL N N 810 120.937 118.247 2.690 1
1 1969 . 16 1 1 A 187 187 VAL H H 810 7.985 7.545 0.440 1
1 1970 . 16 1 1 A 187 187 VAL CA C 810 62.004 61.639 0.365 1
1 1971 . 16 1 1 A 187 187 VAL HA H 810 4.155 4.338 -0.183 1
1 1972 . 16 1 1 A 187 187 VAL CB C 810 32.602 32.946 -0.344 1
1 1979 . 16 1 1 A 188 188 GLU N N 811 126.353 124.135 2.218 1
1 1980 . 16 1 1 A 188 188 GLU H H 811 8.292 7.506 0.786 1
1 1981 . 16 1 1 A 188 188 GLU CA C 811 54.162 55.234 -1.072 1
1 1982 . 16 1 1 A 188 188 GLU HA H 811 4.609 4.517 0.092 1
1 1983 . 16 1 1 A 188 188 GLU CB C 811 29.775 30.581 -0.806 1
1 1 . 17 1 1 A 2 2 ALA CA C 625 52.969 50.248 2.721 1
1 2 . 17 1 1 A 2 2 ALA HA H 625 4.493 4.773 -0.280 1
1 3 . 17 1 1 A 2 2 ALA CB C 625 19.272 21.518 -2.246 1
1 7 . 17 1 1 A 3 3 THR N N 626 113.570 114.761 -1.191 1
1 8 . 17 1 1 A 3 3 THR H H 626 8.176 8.953 -0.777 1
1 9 . 17 1 1 A 3 3 THR CA C 626 61.314 67.109 -5.795 1
1 10 . 17 1 1 A 3 3 THR HA H 626 4.298 3.931 0.367 1
1 11 . 17 1 1 A 3 3 THR CB C 626 69.270 69.086 0.184 1
1 17 . 17 1 1 A 4 4 ILE N N 627 115.272 117.732 -2.460 1
1 18 . 17 1 1 A 4 4 ILE H H 627 7.549 7.820 -0.271 1
1 19 . 17 1 1 A 4 4 ILE CA C 627 58.731 61.623 -2.892 1
1 20 . 17 1 1 A 4 4 ILE HA H 627 4.258 4.345 -0.087 1
1 21 . 17 1 1 A 4 4 ILE CB C 627 42.246 37.221 5.025 1
1 34 . 17 1 1 A 5 5 CYS N N 628 124.095 125.286 -1.191 1
1 35 . 17 1 1 A 5 5 CYS H H 628 7.766 8.673 -0.907 1
1 36 . 17 1 1 A 5 5 CYS CA C 628 57.978 58.209 -0.231 1
1 37 . 17 1 1 A 5 5 CYS HA H 628 3.781 4.172 -0.391 1
1 38 . 17 1 1 A 5 5 CYS CB C 628 31.436 27.213 4.223 1
1 41 . 17 1 1 A 6 6 ARG N N 629 129.928 127.725 2.203 1
1 42 . 17 1 1 A 6 6 ARG H H 629 9.040 8.315 0.725 1
1 43 . 17 1 1 A 6 6 ARG CA C 629 57.514 59.412 -1.898 1
1 44 . 17 1 1 A 6 6 ARG HA H 629 3.900 3.753 0.147 1
1 45 . 17 1 1 A 6 6 ARG CB C 629 30.251 29.639 0.612 1
1 54 . 17 1 1 A 7 7 VAL N N 630 118.166 118.702 -0.536 1
1 55 . 17 1 1 A 7 7 VAL H H 630 8.734 7.114 1.620 1
1 56 . 17 1 1 A 7 7 VAL CA C 630 65.770 66.804 -1.034 1
1 57 . 17 1 1 A 7 7 VAL HA H 630 4.137 3.621 0.516 1
1 58 . 17 1 1 A 7 7 VAL CB C 630 33.079 31.596 1.483 1
1 68 . 17 1 1 A 8 8 CYS N N 631 116.148 114.542 1.606 1
1 69 . 17 1 1 A 8 8 CYS H H 631 8.143 7.832 0.311 1
1 70 . 17 1 1 A 8 8 CYS CA C 631 59.154 58.404 0.750 1
1 71 . 17 1 1 A 8 8 CYS HA H 631 5.105 4.552 0.553 1
1 72 . 17 1 1 A 8 8 CYS CB C 631 31.184 27.332 3.852 1
1 75 . 17 1 1 A 9 9 GLN N N 632 115.248 115.775 -0.527 1
1 76 . 17 1 1 A 9 9 GLN H H 632 8.132 9.050 -0.918 1
1 77 . 17 1 1 A 9 9 GLN CA C 632 57.404 57.010 0.394 1
1 78 . 17 1 1 A 9 9 GLN HA H 632 4.068 3.807 0.261 1
1 79 . 17 1 1 A 9 9 GLN CB C 632 26.002 26.342 -0.340 1
1 88 . 17 1 1 A 10 10 LYS N N 633 118.420 119.196 -0.776 1
1 89 . 17 1 1 A 10 10 LYS H H 633 8.091 7.939 0.152 1
1 90 . 17 1 1 A 10 10 LYS CA C 633 53.835 53.048 0.787 1
1 91 . 17 1 1 A 10 10 LYS HA H 633 5.046 4.689 0.357 1
1 92 . 17 1 1 A 10 10 LYS CB C 633 33.312 33.146 0.166 1
1 102 . 17 1 1 A 11 11 PRO CA C 634 62.136 63.240 -1.104 1
1 103 . 17 1 1 A 11 11 PRO HA H 634 5.056 4.631 0.425 1
1 104 . 17 1 1 A 11 11 PRO CB C 634 33.061 33.477 -0.416 1
1 112 . 17 1 1 A 12 12 GLY N N 635 106.958 107.016 -0.058 1
1 113 . 17 1 1 A 12 12 GLY H H 635 8.475 8.190 0.285 1
1 114 . 17 1 1 A 12 12 GLY CA C 635 45.303 45.141 0.162 1
1 115 . 17 1 1 A 12 12 GLY HA3 H 635 3.812 4.330 -0.518 1
1 116 . 17 1 1 A 12 12 GLY HA2 H 635 4.438 4.250 0.188 1
1 117 . 17 1 1 A 13 13 ASP N N 636 124.001 122.474 1.527 1
1 118 . 17 1 1 A 13 13 ASP H H 636 8.729 8.497 0.232 1
1 119 . 17 1 1 A 13 13 ASP CA C 636 54.239 53.501 0.738 1
1 120 . 17 1 1 A 13 13 ASP HA H 636 4.656 4.764 -0.108 1
1 121 . 17 1 1 A 13 13 ASP CB C 636 39.425 39.201 0.224 1
1 124 . 17 1 1 A 14 14 LEU N N 637 121.435 121.557 -0.122 1
1 125 . 17 1 1 A 14 14 LEU H H 637 7.849 7.685 0.164 1
1 126 . 17 1 1 A 14 14 LEU CA C 637 53.306 54.838 -1.532 1
1 127 . 17 1 1 A 14 14 LEU HA H 637 4.546 4.726 -0.180 1
1 128 . 17 1 1 A 14 14 LEU CB C 637 44.117 42.248 1.869 1
1 141 . 17 1 1 A 15 15 VAL N N 638 118.100 123.644 -5.544 1
1 142 . 17 1 1 A 15 15 VAL H H 638 8.703 8.616 0.087 1
1 143 . 17 1 1 A 15 15 VAL CA C 638 59.865 60.951 -1.086 1
1 144 . 17 1 1 A 15 15 VAL HA H 638 4.383 4.542 -0.159 1
1 145 . 17 1 1 A 15 15 VAL CB C 638 33.305 32.741 0.564 1
1 155 . 17 1 1 A 16 16 MET N N 639 125.271 130.165 -4.894 1
1 156 . 17 1 1 A 16 16 MET H H 639 8.519 9.151 -0.632 1
1 157 . 17 1 1 A 16 16 MET CA C 639 54.122 54.605 -0.483 1
1 158 . 17 1 1 A 16 16 MET HA H 639 5.210 5.134 0.076 1
1 159 . 17 1 1 A 16 16 MET CB C 639 36.310 34.059 2.251 1
1 169 . 17 1 1 A 17 17 CYS N N 640 129.455 125.312 4.143 1
1 170 . 17 1 1 A 17 17 CYS H H 640 9.139 9.179 -0.040 1
1 171 . 17 1 1 A 17 17 CYS CA C 640 59.996 60.196 -0.200 1
1 172 . 17 1 1 A 17 17 CYS HA H 640 4.658 4.526 0.132 1
1 173 . 17 1 1 A 17 17 CYS CB C 640 31.238 28.994 2.244 1
1 176 . 17 1 1 A 18 18 ASN N N 641 128.271 127.723 0.548 1
1 177 . 17 1 1 A 18 18 ASN H H 641 8.914 9.208 -0.294 1
1 178 . 17 1 1 A 18 18 ASN CA C 641 55.658 54.924 0.734 1
1 179 . 17 1 1 A 18 18 ASN HA H 641 4.584 4.592 -0.008 1
1 180 . 17 1 1 A 18 18 ASN CB C 641 38.955 38.412 0.543 1
1 186 . 17 1 1 A 19 19 GLN N N 642 121.426 116.765 4.661 1
1 187 . 17 1 1 A 19 19 GLN H H 642 9.313 7.655 1.658 1
1 188 . 17 1 1 A 19 19 GLN CA C 642 57.971 56.325 1.646 1
1 189 . 17 1 1 A 19 19 GLN HA H 642 4.502 4.472 0.030 1
1 190 . 17 1 1 A 19 19 GLN CB C 642 30.466 30.854 -0.388 1
1 197 . 17 1 1 A 20 20 CYS N N 643 120.207 116.643 3.564 1
1 198 . 17 1 1 A 20 20 CYS H H 643 8.542 7.698 0.844 1
1 199 . 17 1 1 A 20 20 CYS CA C 643 59.473 58.333 1.140 1
1 200 . 17 1 1 A 20 20 CYS HA H 643 4.663 4.751 -0.088 1
1 201 . 17 1 1 A 20 20 CYS CB C 643 31.889 28.102 3.787 1
1 204 . 17 1 1 A 21 21 GLU N N 644 114.113 117.343 -3.230 1
1 205 . 17 1 1 A 21 21 GLU H H 644 7.441 8.435 -0.994 1
1 206 . 17 1 1 A 21 21 GLU CA C 644 57.994 59.481 -1.487 1
1 207 . 17 1 1 A 21 21 GLU HA H 644 4.285 4.036 0.249 1
1 208 . 17 1 1 A 21 21 GLU CB C 644 26.843 27.719 -0.876 1
1 214 . 17 1 1 A 22 22 PHE N N 645 120.911 120.066 0.845 1
1 215 . 17 1 1 A 22 22 PHE H H 645 8.941 8.656 0.285 1
1 216 . 17 1 1 A 22 22 PHE CA C 645 57.356 58.899 -1.543 1
1 217 . 17 1 1 A 22 22 PHE HA H 645 4.777 4.312 0.465 1
1 218 . 17 1 1 A 22 22 PHE CB C 645 38.709 38.042 0.667 1
1 226 . 17 1 1 A 23 23 CYS N N 646 115.830 124.859 -9.029 1
1 227 . 17 1 1 A 23 23 CYS H H 646 8.137 8.639 -0.502 1
1 228 . 17 1 1 A 23 23 CYS CA C 646 56.600 58.433 -1.833 1
1 229 . 17 1 1 A 23 23 CYS HA H 646 5.813 5.644 0.169 1
1 230 . 17 1 1 A 23 23 CYS CB C 646 30.951 29.479 1.472 1
1 233 . 17 1 1 A 24 24 PHE N N 647 116.053 120.175 -4.122 1
1 234 . 17 1 1 A 24 24 PHE H H 647 9.011 8.702 0.309 1
1 235 . 17 1 1 A 24 24 PHE CA C 647 56.827 56.529 0.298 1
1 236 . 17 1 1 A 24 24 PHE HA H 647 5.910 4.901 1.009 1
1 237 . 17 1 1 A 24 24 PHE CB C 647 44.608 44.023 0.585 1
1 246 . 17 1 1 A 25 25 HIS N N 648 120.957 120.210 0.747 1
1 247 . 17 1 1 A 25 25 HIS H H 648 8.427 8.848 -0.421 1
1 248 . 17 1 1 A 25 25 HIS CA C 648 58.971 55.978 2.993 1
1 249 . 17 1 1 A 25 25 HIS HA H 648 4.929 4.728 0.201 1
1 250 . 17 1 1 A 25 25 HIS CB C 648 31.178 29.859 1.319 1
1 257 . 17 1 1 A 26 26 LEU N N 649 123.176 118.872 4.304 1
1 258 . 17 1 1 A 26 26 LEU H H 649 9.369 8.009 1.360 1
1 259 . 17 1 1 A 26 26 LEU CA C 649 59.646 56.608 3.038 1
1 260 . 17 1 1 A 26 26 LEU HA H 649 3.829 3.852 -0.023 1
1 261 . 17 1 1 A 26 26 LEU CB C 649 39.426 40.990 -1.564 1
1 274 . 17 1 1 A 27 27 ASP N N 650 109.058 117.219 -8.161 1
1 275 . 17 1 1 A 27 27 ASP H H 650 8.326 9.528 -1.202 1
1 276 . 17 1 1 A 27 27 ASP CA C 650 53.998 57.166 -3.168 1
1 277 . 17 1 1 A 27 27 ASP HA H 650 4.739 4.412 0.327 1
1 278 . 17 1 1 A 27 27 ASP CB C 650 40.331 40.490 -0.159 1
1 280 . 17 1 1 A 28 28 CYS N N 651 117.495 118.506 -1.011 1
1 281 . 17 1 1 A 28 28 CYS H H 651 7.480 8.019 -0.539 1
1 282 . 17 1 1 A 28 28 CYS CA C 651 61.534 62.522 -0.988 1
1 283 . 17 1 1 A 28 28 CYS HA H 651 4.245 4.097 0.148 1
1 284 . 17 1 1 A 28 28 CYS CB C 651 31.646 27.255 4.391 1
1 286 . 17 1 1 A 29 29 HIS N N 652 116.384 121.780 -5.396 1
1 287 . 17 1 1 A 29 29 HIS H H 652 6.894 7.672 -0.778 1
1 288 . 17 1 1 A 29 29 HIS CA C 652 59.713 57.717 1.996 1
1 289 . 17 1 1 A 29 29 HIS HA H 652 3.644 4.799 -1.155 1
1 290 . 17 1 1 A 29 29 HIS CB C 652 27.909 30.740 -2.831 1
1 296 . 17 1 1 A 30 30 LEU N N 653 121.110 127.927 -6.817 1
1 297 . 17 1 1 A 30 30 LEU H H 653 4.525 8.805 -4.280 1
1 298 . 17 1 1 A 30 30 LEU CA C 653 51.439 59.467 -8.028 1
1 299 . 17 1 1 A 30 30 LEU HA H 653 4.515 3.628 0.887 1
1 300 . 17 1 1 A 30 30 LEU CB C 653 46.001 41.182 4.819 1
1 312 . 17 1 1 A 31 31 PRO CA C 654 62.964 63.420 -0.456 1
1 313 . 17 1 1 A 31 31 PRO HA H 654 4.471 4.403 0.068 1
1 314 . 17 1 1 A 31 31 PRO CB C 654 34.045 32.413 1.632 1
1 322 . 17 1 1 A 32 32 ALA N N 655 125.871 119.860 6.011 1
1 323 . 17 1 1 A 32 32 ALA H H 655 8.766 7.769 0.997 1
1 324 . 17 1 1 A 32 32 ALA CA C 655 52.771 52.660 0.111 1
1 325 . 17 1 1 A 32 32 ALA HA H 655 4.349 4.254 0.095 1
1 326 . 17 1 1 A 32 32 ALA CB C 655 18.177 17.417 0.760 1
1 330 . 17 1 1 A 33 33 LEU N N 656 123.348 121.162 2.186 1
1 331 . 17 1 1 A 33 33 LEU H H 656 8.230 7.852 0.378 1
1 332 . 17 1 1 A 33 33 LEU CA C 656 54.014 56.702 -2.688 1
1 333 . 17 1 1 A 33 33 LEU HA H 656 4.445 4.452 -0.007 1
1 334 . 17 1 1 A 33 33 LEU CB C 656 43.197 41.996 1.201 1
1 347 . 17 1 1 A 34 34 GLN N N 657 119.992 123.211 -3.219 1
1 348 . 17 1 1 A 34 34 GLN H H 657 8.679 8.573 0.106 1
1 349 . 17 1 1 A 34 34 GLN CA C 657 56.354 55.255 1.099 1
1 350 . 17 1 1 A 34 34 GLN HA H 657 4.159 4.548 -0.389 1
1 351 . 17 1 1 A 34 34 GLN CB C 657 29.555 30.909 -1.354 1
1 359 . 17 1 1 A 35 35 ASP N N 658 115.420 118.213 -2.793 1
1 360 . 17 1 1 A 35 35 ASP H H 658 7.457 7.844 -0.387 1
1 361 . 17 1 1 A 35 35 ASP CA C 658 51.696 54.145 -2.449 1
1 362 . 17 1 1 A 35 35 ASP HA H 658 4.626 4.635 -0.009 1
1 363 . 17 1 1 A 35 35 ASP CB C 658 43.431 42.799 0.632 1
1 366 . 17 1 1 A 36 36 VAL N N 659 122.099 123.543 -1.444 1
1 367 . 17 1 1 A 36 36 VAL H H 659 8.624 8.318 0.306 1
1 368 . 17 1 1 A 36 36 VAL CA C 659 60.994 61.978 -0.984 1
1 369 . 17 1 1 A 36 36 VAL HA H 659 3.752 3.642 0.110 1
1 370 . 17 1 1 A 36 36 VAL CB C 659 32.087 30.567 1.520 1
1 380 . 17 1 1 A 37 37 PRO CA C 660 62.728 63.410 -0.682 1
1 381 . 17 1 1 A 37 37 PRO HA H 660 4.454 4.612 -0.158 1
1 382 . 17 1 1 A 37 37 PRO CB C 660 32.835 31.792 1.043 1
1 391 . 17 1 1 A 38 38 GLY N N 661 106.940 109.410 -2.470 1
1 392 . 17 1 1 A 38 38 GLY H H 661 8.189 8.278 -0.089 1
1 393 . 17 1 1 A 38 38 GLY CA C 661 44.397 46.894 -2.497 1
1 394 . 17 1 1 A 38 38 GLY HA3 H 661 3.969 3.945 0.024 1
1 395 . 17 1 1 A 38 38 GLY HA2 H 661 4.190 3.936 0.254 1
1 396 . 17 1 1 A 39 39 GLU N N 662 117.365 120.219 -2.854 1
1 397 . 17 1 1 A 39 39 GLU H H 662 8.281 8.606 -0.325 1
1 398 . 17 1 1 A 39 39 GLU CA C 662 57.520 58.753 -1.233 1
1 399 . 17 1 1 A 39 39 GLU HA H 662 4.281 4.144 0.137 1
1 400 . 17 1 1 A 39 39 GLU CB C 662 30.013 29.411 0.602 1
1 405 . 17 1 1 A 40 40 GLU N N 663 117.986 117.042 0.944 1
1 406 . 17 1 1 A 40 40 GLU H H 663 8.697 8.181 0.516 1
1 407 . 17 1 1 A 40 40 GLU CA C 663 56.389 55.692 0.697 1
1 408 . 17 1 1 A 40 40 GLU HA H 663 4.293 4.594 -0.301 1
1 409 . 17 1 1 A 40 40 GLU CB C 663 28.787 30.753 -1.966 1
1 414 . 17 1 1 A 41 41 TRP N N 664 124.391 124.672 -0.281 1
1 415 . 17 1 1 A 41 41 TRP H H 664 7.967 7.448 0.519 1
1 416 . 17 1 1 A 41 41 TRP CA C 664 59.934 58.403 1.531 1
1 417 . 17 1 1 A 41 41 TRP HA H 664 4.312 4.721 -0.409 1
1 418 . 17 1 1 A 41 41 TRP CB C 664 29.998 30.223 -0.225 1
1 432 . 17 1 1 A 42 42 SER N N 665 120.355 118.789 1.566 1
1 433 . 17 1 1 A 42 42 SER H H 665 6.873 7.839 -0.966 1
1 434 . 17 1 1 A 42 42 SER CA C 665 55.166 56.910 -1.744 1
1 435 . 17 1 1 A 42 42 SER HA H 665 5.259 4.837 0.422 1
1 436 . 17 1 1 A 42 42 SER CB C 665 65.990 66.323 -0.333 1
1 439 . 17 1 1 A 43 43 CYS N N 666 125.642 122.648 2.994 1
1 440 . 17 1 1 A 43 43 CYS H H 666 9.271 8.105 1.166 1
1 441 . 17 1 1 A 43 43 CYS CA C 666 57.325 58.738 -1.413 1
1 442 . 17 1 1 A 43 43 CYS HA H 666 3.952 3.267 0.685 1
1 443 . 17 1 1 A 43 43 CYS CB C 666 34.022 28.237 5.785 1
1 446 . 17 1 1 A 44 44 SER N N 667 117.158 118.339 -1.181 1
1 447 . 17 1 1 A 44 44 SER H H 667 7.068 8.739 -1.671 1
1 448 . 17 1 1 A 44 44 SER CA C 667 61.353 59.700 1.653 1
1 449 . 17 1 1 A 44 44 SER HA H 667 4.225 4.400 -0.175 1
1 450 . 17 1 1 A 44 44 SER CB C 667 63.693 62.854 0.839 1
1 453 . 17 1 1 A 45 45 LEU N N 668 120.667 120.483 0.184 1
1 454 . 17 1 1 A 45 45 LEU H H 668 8.965 7.471 1.494 1
1 455 . 17 1 1 A 45 45 LEU CA C 668 57.416 55.330 2.086 1
1 456 . 17 1 1 A 45 45 LEU HA H 668 4.178 4.297 -0.119 1
1 457 . 17 1 1 A 45 45 LEU CB C 668 40.611 42.574 -1.963 1
1 470 . 17 1 1 A 46 46 CYS N N 669 121.872 116.083 5.789 1
1 471 . 17 1 1 A 46 46 CYS H H 669 7.816 7.702 0.114 1
1 472 . 17 1 1 A 46 46 CYS CA C 669 62.557 60.121 2.436 1
1 473 . 17 1 1 A 46 46 CYS HA H 669 3.969 4.146 -0.177 1
1 474 . 17 1 1 A 46 46 CYS CB C 669 30.467 28.549 1.918 1
1 477 . 17 1 1 A 47 47 HIS N N 670 119.396 121.245 -1.849 1
1 478 . 17 1 1 A 47 47 HIS H H 670 8.077 8.298 -0.221 1
1 479 . 17 1 1 A 47 47 HIS CA C 670 55.625 59.348 -3.723 1
1 480 . 17 1 1 A 47 47 HIS HA H 670 4.429 4.057 0.372 1
1 481 . 17 1 1 A 47 47 HIS CB C 670 30.326 29.725 0.601 1
1 488 . 17 1 1 A 48 48 VAL N N 671 123.528 118.399 5.129 1
1 489 . 17 1 1 A 48 48 VAL H H 671 7.978 7.519 0.459 1
1 490 . 17 1 1 A 48 48 VAL CA C 671 62.120 65.305 -3.185 1
1 491 . 17 1 1 A 48 48 VAL HA H 671 3.925 4.186 -0.261 1
1 492 . 17 1 1 A 48 48 VAL CB C 671 32.396 31.680 0.716 1
1 502 . 17 1 1 A 49 49 LEU N N 672 126.622 120.796 5.826 1
1 503 . 17 1 1 A 49 49 LEU H H 672 8.139 8.292 -0.153 1
1 504 . 17 1 1 A 49 49 LEU CA C 672 52.859 51.192 1.667 1
1 505 . 17 1 1 A 49 49 LEU HA H 672 4.475 4.745 -0.270 1
1 506 . 17 1 1 A 49 49 LEU CB C 672 41.536 44.424 -2.888 1
1 518 . 17 1 1 A 50 50 PRO CA C 673 62.715 65.943 -3.228 1
1 519 . 17 1 1 A 50 50 PRO HA H 673 4.386 4.248 0.138 1
1 520 . 17 1 1 A 50 50 PRO CB C 673 32.093 31.160 0.933 1
1 528 . 17 1 1 A 51 51 ASP N N 674 120.540 117.619 2.921 1
1 529 . 17 1 1 A 51 51 ASP H H 674 8.307 8.108 0.199 1
1 530 . 17 1 1 A 51 51 ASP CA C 674 54.202 53.188 1.014 1
1 531 . 17 1 1 A 51 51 ASP HA H 674 4.564 4.959 -0.395 1
1 532 . 17 1 1 A 51 51 ASP CB C 674 41.030 42.865 -1.835 1
1 535 . 17 1 1 A 52 52 LEU N N 675 122.987 120.565 2.422 1
1 536 . 17 1 1 A 52 52 LEU H H 675 8.053 7.720 0.333 1
1 537 . 17 1 1 A 52 52 LEU CA C 675 54.945 55.869 -0.924 1
1 538 . 17 1 1 A 52 52 LEU HA H 675 4.364 4.233 0.131 1
1 539 . 17 1 1 A 52 52 LEU CB C 675 42.436 41.143 1.293 1
1 551 . 17 1 1 A 53 53 LYS N N 676 122.061 121.246 0.815 1
1 552 . 17 1 1 A 53 53 LYS H H 676 8.340 7.788 0.552 1
1 553 . 17 1 1 A 53 53 LYS CA C 676 56.060 58.997 -2.937 1
1 554 . 17 1 1 A 53 53 LYS HA H 676 4.331 4.007 0.324 1
1 555 . 17 1 1 A 53 53 LYS CB C 676 32.363 32.495 -0.132 1
1 564 . 17 1 1 A 54 54 GLU N N 677 121.909 117.387 4.522 1
1 565 . 17 1 1 A 54 54 GLU H H 677 8.403 7.961 0.442 1
1 566 . 17 1 1 A 54 54 GLU CA C 677 56.586 58.318 -1.732 1
1 567 . 17 1 1 A 54 54 GLU HA H 677 4.312 4.165 0.147 1
1 568 . 17 1 1 A 54 54 GLU CB C 677 30.221 28.167 2.054 1
1 573 . 17 1 1 A 55 55 GLU N N 678 121.528 121.473 0.055 1
1 574 . 17 1 1 A 55 55 GLU H H 678 8.486 8.631 -0.145 1
1 575 . 17 1 1 A 55 55 GLU CA C 678 56.368 57.194 -0.826 1
1 576 . 17 1 1 A 55 55 GLU HA H 678 4.315 3.991 0.324 1
1 577 . 17 1 1 A 55 55 GLU CB C 678 28.896 29.576 -0.680 1
1 582 . 17 1 1 A 56 56 ASP N N 679 121.530 122.524 -0.994 1
1 583 . 17 1 1 A 56 56 ASP H H 679 8.322 9.379 -1.057 1
1 584 . 17 1 1 A 56 56 ASP CA C 679 54.252 56.221 -1.969 1
1 585 . 17 1 1 A 56 56 ASP HA H 679 4.680 4.399 0.281 1
1 586 . 17 1 1 A 56 56 ASP CB C 679 41.146 39.497 1.649 1
1 588 . 17 1 1 A 57 57 GLY N N 680 109.997 109.597 0.400 1
1 589 . 17 1 1 A 57 57 GLY H H 680 8.412 8.636 -0.224 1
1 590 . 17 1 1 A 57 57 GLY CA C 680 45.247 45.632 -0.385 1
1 591 . 17 1 1 A 57 57 GLY HA2 H 680 4.020 3.976 0.044 1
1 592 . 17 1 1 A 58 58 SER N N 681 115.994 113.991 2.003 1
1 593 . 17 1 1 A 58 58 SER H H 681 8.280 8.097 0.183 1
1 594 . 17 1 1 A 58 58 SER CA C 681 58.239 58.591 -0.352 1
1 595 . 17 1 1 A 58 58 SER HA H 681 3.996 4.651 -0.655 1
1 596 . 17 1 1 A 58 58 SER CB C 681 63.789 65.491 -1.702 1
1 598 . 17 1 1 A 59 59 LEU N N 682 123.362 121.769 1.593 1
1 599 . 17 1 1 A 59 59 LEU H H 682 8.164 7.645 0.519 1
1 600 . 17 1 1 A 59 59 LEU CA C 682 55.160 54.180 0.980 1
1 601 . 17 1 1 A 59 59 LEU HA H 682 4.427 4.855 -0.428 1
1 602 . 17 1 1 A 59 59 LEU CB C 682 42.473 44.242 -1.769 1
1 614 . 17 1 1 A 60 60 SER N N 683 116.385 119.016 -2.631 1
1 615 . 17 1 1 A 60 60 SER H H 683 8.226 8.681 -0.455 1
1 616 . 17 1 1 A 60 60 SER CA C 683 58.004 57.747 0.257 1
1 617 . 17 1 1 A 60 60 SER HA H 683 4.517 4.646 -0.129 1
1 618 . 17 1 1 A 60 60 SER CB C 683 63.651 64.746 -1.095 1
1 620 . 17 1 1 A 61 61 LEU N N 684 124.466 121.949 2.517 1
1 621 . 17 1 1 A 61 61 LEU H H 684 8.303 8.120 0.183 1
1 622 . 17 1 1 A 61 61 LEU CA C 684 54.959 55.836 -0.877 1
1 623 . 17 1 1 A 61 61 LEU HA H 684 4.412 3.902 0.510 1
1 624 . 17 1 1 A 61 61 LEU CB C 684 41.713 40.883 0.830 1
1 635 . 17 1 1 A 62 62 ASP N N 685 120.536 118.078 2.458 1
1 636 . 17 1 1 A 62 62 ASP H H 685 8.267 8.590 -0.323 1
1 637 . 17 1 1 A 62 62 ASP CA C 685 54.276 54.851 -0.575 1
1 638 . 17 1 1 A 62 62 ASP HA H 685 4.680 4.303 0.377 1
1 639 . 17 1 1 A 62 62 ASP CB C 685 41.125 39.724 1.401 1
1 642 . 17 1 1 A 63 63 GLY N N 686 109.373 111.477 -2.104 1
1 643 . 17 1 1 A 63 63 GLY H H 686 8.277 8.141 0.136 1
1 644 . 17 1 1 A 63 63 GLY CA C 686 45.297 45.810 -0.513 1
1 645 . 17 1 1 A 63 63 GLY HA2 H 686 3.992 4.080 -0.088 1
1 646 . 17 1 1 A 64 64 ALA N N 687 123.584 125.447 -1.863 1
1 647 . 17 1 1 A 64 64 ALA H H 687 8.129 8.641 -0.512 1
1 648 . 17 1 1 A 64 64 ALA CA C 687 52.637 54.416 -1.779 1
1 649 . 17 1 1 A 64 64 ALA HA H 687 4.379 3.980 0.399 1
1 650 . 17 1 1 A 64 64 ALA CB C 687 19.122 17.950 1.172 1
1 654 . 17 1 1 A 65 65 ASP N N 688 118.924 120.333 -1.409 1
1 655 . 17 1 1 A 65 65 ASP H H 688 8.326 8.784 -0.458 1
1 656 . 17 1 1 A 65 65 ASP CA C 688 53.972 57.174 -3.202 1
1 657 . 17 1 1 A 65 65 ASP HA H 688 4.682 4.396 0.286 1
1 658 . 17 1 1 A 65 65 ASP CB C 688 41.061 41.025 0.036 1
1 660 . 17 1 1 A 66 66 SER N N 689 116.036 113.922 2.114 1
1 661 . 17 1 1 A 66 66 SER H H 689 8.285 8.137 0.148 1
1 662 . 17 1 1 A 66 66 SER CA C 689 58.352 59.028 -0.676 1
1 663 . 17 1 1 A 66 66 SER HA H 689 4.443 4.124 0.319 1
1 664 . 17 1 1 A 66 66 SER CB C 689 63.665 61.575 2.090 1
1 666 . 17 1 1 A 67 67 THR N N 690 115.059 113.455 1.604 1
1 667 . 17 1 1 A 67 67 THR H H 690 8.253 8.104 0.149 1
1 668 . 17 1 1 A 67 67 THR CA C 690 62.556 63.066 -0.510 1
1 669 . 17 1 1 A 67 67 THR HA H 690 4.379 4.527 -0.148 1
1 670 . 17 1 1 A 67 67 THR CB C 690 69.623 71.593 -1.970 1
1 676 . 17 1 1 A 68 68 GLY N N 691 111.091 108.159 2.932 1
1 677 . 17 1 1 A 68 68 GLY H H 691 8.366 7.895 0.471 1
1 678 . 17 1 1 A 68 68 GLY CA C 691 45.297 45.455 -0.158 1
1 679 . 17 1 1 A 68 68 GLY HA2 H 691 4.002 4.081 -0.079 1
1 680 . 17 1 1 A 69 69 VAL N N 692 119.280 116.018 3.262 1
1 681 . 17 1 1 A 69 69 VAL H H 692 7.876 8.013 -0.137 1
1 682 . 17 1 1 A 69 69 VAL CA C 692 62.068 62.831 -0.763 1
1 683 . 17 1 1 A 69 69 VAL HA H 692 4.176 3.750 0.426 1
1 684 . 17 1 1 A 69 69 VAL CB C 692 32.322 30.218 2.104 1
1 690 . 17 1 1 A 70 70 VAL N N 693 123.601 123.468 0.133 1
1 691 . 17 1 1 A 70 70 VAL H H 693 8.102 8.335 -0.233 1
1 692 . 17 1 1 A 70 70 VAL CA C 693 61.886 63.177 -1.291 1
1 693 . 17 1 1 A 70 70 VAL HA H 693 4.150 4.404 -0.254 1
1 694 . 17 1 1 A 70 70 VAL CB C 693 32.429 33.974 -1.545 1
1 700 . 17 1 1 A 71 71 ALA N N 694 129.048 123.587 5.461 1
1 701 . 17 1 1 A 71 71 ALA H H 694 8.374 8.112 0.262 1
1 702 . 17 1 1 A 71 71 ALA CA C 694 52.125 53.197 -1.072 1
1 703 . 17 1 1 A 71 71 ALA HA H 694 4.454 4.052 0.402 1
1 704 . 17 1 1 A 71 71 ALA CB C 694 19.203 17.544 1.659 1
1 708 . 17 1 1 A 72 72 LYS N N 695 118.535 117.475 1.060 1
1 709 . 17 1 1 A 72 72 LYS H H 695 7.833 7.848 -0.015 1
1 710 . 17 1 1 A 72 72 LYS CA C 695 54.556 58.743 -4.187 1
1 711 . 17 1 1 A 72 72 LYS HA H 695 4.827 4.167 0.660 1
1 712 . 17 1 1 A 72 72 LYS CB C 695 35.245 33.115 2.130 1
1 722 . 17 1 1 A 73 73 LEU N N 696 121.834 120.006 1.828 1
1 723 . 17 1 1 A 73 73 LEU H H 696 8.772 7.982 0.790 1
1 724 . 17 1 1 A 73 73 LEU CA C 696 54.973 56.717 -1.744 1
1 725 . 17 1 1 A 73 73 LEU HA H 696 4.268 4.416 -0.148 1
1 726 . 17 1 1 A 73 73 LEU CB C 696 42.467 44.069 -1.602 1
1 739 . 17 1 1 A 74 74 SER N N 697 121.120 108.594 12.526 1
1 740 . 17 1 1 A 74 74 SER H H 697 8.890 7.992 0.898 1
1 741 . 17 1 1 A 74 74 SER CA C 697 56.165 57.526 -1.361 1
1 742 . 17 1 1 A 74 74 SER HA H 697 4.710 4.633 0.077 1
1 743 . 17 1 1 A 74 74 SER CB C 697 62.177 65.416 -3.239 1
1 745 . 17 1 1 A 75 75 PRO CA C 698 66.251 65.961 0.290 1
1 746 . 17 1 1 A 75 75 PRO HA H 698 4.350 4.324 0.026 1
1 747 . 17 1 1 A 75 75 PRO CB C 698 31.661 31.670 -0.009 1
1 755 . 17 1 1 A 76 76 ALA N N 699 117.914 118.826 -0.912 1
1 756 . 17 1 1 A 76 76 ALA H H 699 8.458 8.087 0.371 1
1 757 . 17 1 1 A 76 76 ALA CA C 699 55.000 55.123 -0.123 1
1 758 . 17 1 1 A 76 76 ALA HA H 699 4.132 4.075 0.057 1
1 759 . 17 1 1 A 76 76 ALA CB C 699 18.785 18.317 0.468 1
1 763 . 17 1 1 A 77 77 ASN N N 700 116.945 117.092 -0.147 1
1 764 . 17 1 1 A 77 77 ASN H H 700 7.760 8.484 -0.724 1
1 765 . 17 1 1 A 77 77 ASN CA C 700 55.210 56.111 -0.901 1
1 766 . 17 1 1 A 77 77 ASN HA H 700 4.763 4.249 0.514 1
1 767 . 17 1 1 A 77 77 ASN CB C 700 38.005 37.831 0.174 1
1 770 . 17 1 1 A 78 78 GLN N N 701 124.719 119.743 4.976 1
1 771 . 17 1 1 A 78 78 GLN H H 701 9.480 8.405 1.075 1
1 772 . 17 1 1 A 78 78 GLN CA C 701 59.634 59.483 0.151 1
1 773 . 17 1 1 A 78 78 GLN HA H 701 3.673 4.166 -0.493 1
1 774 . 17 1 1 A 78 78 GLN CB C 701 27.114 28.405 -1.291 1
1 782 . 17 1 1 A 79 79 ARG N N 702 117.069 119.342 -2.273 1
1 783 . 17 1 1 A 79 79 ARG H H 702 7.654 7.724 -0.070 1
1 784 . 17 1 1 A 79 79 ARG CA C 702 57.561 59.909 -2.348 1
1 785 . 17 1 1 A 79 79 ARG HA H 702 4.487 3.951 0.536 1
1 786 . 17 1 1 A 79 79 ARG CB C 702 29.680 30.021 -0.341 1
1 794 . 17 1 1 A 80 80 LYS N N 703 119.251 118.482 0.769 1
1 795 . 17 1 1 A 80 80 LYS H H 703 7.636 8.075 -0.439 1
1 796 . 17 1 1 A 80 80 LYS CA C 703 60.735 59.411 1.324 1
1 797 . 17 1 1 A 80 80 LYS HA H 703 3.702 4.117 -0.415 1
1 798 . 17 1 1 A 80 80 LYS CB C 703 34.002 32.326 1.676 1
1 808 . 17 1 1 A 81 81 CYS N N 704 115.848 118.639 -2.791 1
1 809 . 17 1 1 A 81 81 CYS H H 704 8.031 8.073 -0.042 1
1 810 . 17 1 1 A 81 81 CYS CA C 704 64.823 63.625 1.198 1
1 811 . 17 1 1 A 81 81 CYS HA H 704 3.687 3.957 -0.270 1
1 812 . 17 1 1 A 81 81 CYS CB C 704 26.491 26.419 0.072 1
1 815 . 17 1 1 A 82 82 GLU N N 705 118.931 119.823 -0.892 1
1 816 . 17 1 1 A 82 82 GLU H H 705 8.286 8.658 -0.372 1
1 817 . 17 1 1 A 82 82 GLU CA C 705 59.887 59.601 0.286 1
1 818 . 17 1 1 A 82 82 GLU HA H 705 3.589 4.266 -0.677 1
1 819 . 17 1 1 A 82 82 GLU CB C 705 29.067 29.375 -0.308 1
1 825 . 17 1 1 A 83 83 ARG N N 706 119.029 119.055 -0.026 1
1 826 . 17 1 1 A 83 83 ARG H H 706 7.931 8.341 -0.410 1
1 827 . 17 1 1 A 83 83 ARG CA C 706 60.133 58.775 1.358 1
1 828 . 17 1 1 A 83 83 ARG HA H 706 3.748 4.253 -0.505 1
1 829 . 17 1 1 A 83 83 ARG CB C 706 30.197 29.919 0.278 1
1 838 . 17 1 1 A 84 84 VAL N N 707 119.247 117.879 1.368 1
1 839 . 17 1 1 A 84 84 VAL H H 707 7.762 8.319 -0.557 1
1 840 . 17 1 1 A 84 84 VAL CA C 707 67.133 65.677 1.456 1
1 841 . 17 1 1 A 84 84 VAL HA H 707 3.562 4.103 -0.541 1
1 842 . 17 1 1 A 84 84 VAL CB C 707 31.857 31.872 -0.015 1
1 852 . 17 1 1 A 85 85 LEU N N 708 119.414 123.485 -4.071 1
1 853 . 17 1 1 A 85 85 LEU H H 708 8.844 8.980 -0.136 1
1 854 . 17 1 1 A 85 85 LEU CA C 708 57.561 58.275 -0.714 1
1 855 . 17 1 1 A 85 85 LEU HA H 708 4.366 4.134 0.232 1
1 856 . 17 1 1 A 85 85 LEU CB C 708 41.320 41.696 -0.376 1
1 869 . 17 1 1 A 86 86 LEU N N 709 120.156 120.683 -0.527 1
1 870 . 17 1 1 A 86 86 LEU H H 709 9.044 8.074 0.970 1
1 871 . 17 1 1 A 86 86 LEU CA C 709 57.977 58.525 -0.548 1
1 872 . 17 1 1 A 86 86 LEU HA H 709 4.382 4.279 0.103 1
1 873 . 17 1 1 A 86 86 LEU CB C 709 41.069 42.316 -1.247 1
1 886 . 17 1 1 A 87 87 ALA N N 710 121.264 120.554 0.710 1
1 887 . 17 1 1 A 87 87 ALA H H 710 8.136 8.473 -0.337 1
1 888 . 17 1 1 A 87 87 ALA CA C 710 55.439 55.911 -0.472 1
1 889 . 17 1 1 A 87 87 ALA HA H 710 4.217 4.476 -0.259 1
1 890 . 17 1 1 A 87 87 ALA CB C 710 17.525 18.952 -1.427 1
1 894 . 17 1 1 A 88 88 LEU N N 711 117.148 120.027 -2.879 1
1 895 . 17 1 1 A 88 88 LEU H H 711 8.158 9.057 -0.899 1
1 896 . 17 1 1 A 88 88 LEU CA C 711 58.688 58.303 0.385 1
1 897 . 17 1 1 A 88 88 LEU HA H 711 4.401 3.510 0.891 1
1 898 . 17 1 1 A 88 88 LEU CB C 711 41.534 41.851 -0.317 1
1 911 . 17 1 1 A 89 89 PHE N N 712 117.048 117.604 -0.556 1
1 912 . 17 1 1 A 89 89 PHE H H 712 8.536 8.976 -0.440 1
1 913 . 17 1 1 A 89 89 PHE CA C 712 62.732 60.718 2.014 1
1 914 . 17 1 1 A 89 89 PHE HA H 712 3.971 4.898 -0.927 1
1 915 . 17 1 1 A 89 89 PHE CB C 712 40.351 39.088 1.263 1
1 922 . 17 1 1 A 90 90 CYS N N 713 111.682 117.840 -6.158 1
1 923 . 17 1 1 A 90 90 CYS H H 713 7.689 8.829 -1.140 1
1 924 . 17 1 1 A 90 90 CYS CA C 713 60.573 61.832 -1.259 1
1 925 . 17 1 1 A 90 90 CYS HA H 713 4.614 4.188 0.426 1
1 926 . 17 1 1 A 90 90 CYS CB C 713 28.820 27.639 1.181 1
1 929 . 17 1 1 A 91 91 HIS N N 714 123.036 117.361 5.675 1
1 930 . 17 1 1 A 91 91 HIS H H 714 7.517 7.589 -0.072 1
1 931 . 17 1 1 A 91 91 HIS CA C 714 54.945 54.204 0.741 1
1 932 . 17 1 1 A 91 91 HIS HA H 714 4.939 4.554 0.385 1
1 933 . 17 1 1 A 91 91 HIS CB C 714 31.433 31.756 -0.323 1
1 940 . 17 1 1 A 92 92 GLU CA C 715 61.506 61.184 0.322 1
1 941 . 17 1 1 A 92 92 GLU HA H 715 4.052 3.922 0.130 1
1 942 . 17 1 1 A 92 92 GLU CB C 715 26.765 28.132 -1.367 1
1 947 . 17 1 1 A 93 93 PRO CA C 716 65.272 66.591 -1.319 1
1 948 . 17 1 1 A 93 93 PRO HA H 716 4.294 4.377 -0.083 1
1 949 . 17 1 1 A 93 93 PRO CB C 716 31.486 30.819 0.667 1
1 958 . 17 1 1 A 94 94 CYS N N 717 110.309 115.050 -4.741 1
1 959 . 17 1 1 A 94 94 CYS H H 717 7.667 8.516 -0.849 1
1 960 . 17 1 1 A 94 94 CYS CA C 717 58.484 60.270 -1.786 1
1 961 . 17 1 1 A 94 94 CYS HA H 717 4.406 4.115 0.291 1
1 962 . 17 1 1 A 94 94 CYS CB C 717 28.612 27.003 1.609 1
1 965 . 17 1 1 A 95 95 ARG N N 718 122.655 120.778 1.877 1
1 966 . 17 1 1 A 95 95 ARG H H 718 7.928 8.794 -0.866 1
1 967 . 17 1 1 A 95 95 ARG CA C 718 60.829 59.163 1.666 1
1 968 . 17 1 1 A 95 95 ARG HA H 718 3.740 2.651 1.089 1
1 969 . 17 1 1 A 95 95 ARG CB C 718 28.131 29.287 -1.156 1
1 977 . 17 1 1 A 96 96 PRO CA C 719 65.328 66.112 -0.784 1
1 978 . 17 1 1 A 96 96 PRO HA H 719 4.456 4.288 0.168 1
1 979 . 17 1 1 A 96 96 PRO CB C 719 31.665 30.696 0.969 1
1 987 . 17 1 1 A 97 97 LEU N N 720 112.429 116.444 -4.015 1
1 988 . 17 1 1 A 97 97 LEU H H 720 7.720 6.772 0.948 1
1 989 . 17 1 1 A 97 97 LEU CA C 720 54.707 57.096 -2.389 1
1 990 . 17 1 1 A 97 97 LEU HA H 720 4.228 3.717 0.511 1
1 991 . 17 1 1 A 97 97 LEU CB C 720 40.391 40.379 0.012 1
1 1004 . 17 1 1 A 98 98 HIS N N 721 118.891 116.652 2.239 1
1 1005 . 17 1 1 A 98 98 HIS H H 721 7.964 8.321 -0.357 1
1 1006 . 17 1 1 A 98 98 HIS CA C 721 60.901 58.102 2.799 1
1 1007 . 17 1 1 A 98 98 HIS HA H 721 4.190 4.036 0.154 1
1 1008 . 17 1 1 A 98 98 HIS CB C 721 31.678 29.561 2.117 1
1 1015 . 17 1 1 A 99 99 GLN N N 722 116.787 115.567 1.220 1
1 1016 . 17 1 1 A 99 99 GLN H H 722 8.090 7.670 0.420 1
1 1017 . 17 1 1 A 99 99 GLN CA C 722 55.180 54.943 0.237 1
1 1018 . 17 1 1 A 99 99 GLN HA H 722 4.808 4.981 -0.173 1
1 1019 . 17 1 1 A 99 99 GLN CB C 722 30.690 30.894 -0.204 1
1 1024 . 17 1 1 A 100 100 LEU H H 723 9.277 8.969 0.308 1
1 1025 . 17 1 1 A 100 100 LEU CA C 723 55.397 55.621 -0.224 1
1 1026 . 17 1 1 A 100 100 LEU HA H 723 4.566 4.474 0.092 1
1 1027 . 17 1 1 A 100 100 LEU CB C 723 43.862 44.123 -0.261 1
1 1040 . 17 1 1 A 101 101 ALA N N 724 123.211 121.803 1.408 1
1 1041 . 17 1 1 A 101 101 ALA H H 724 8.577 7.374 1.203 1
1 1042 . 17 1 1 A 101 101 ALA CA C 724 52.591 51.562 1.029 1
1 1043 . 17 1 1 A 101 101 ALA HA H 724 4.392 4.346 0.046 1
1 1044 . 17 1 1 A 101 101 ALA CB C 724 19.262 19.919 -0.657 1
1 1048 . 17 1 1 A 102 102 THR N N 725 112.189 110.294 1.895 1
1 1049 . 17 1 1 A 102 102 THR H H 725 8.069 8.325 -0.256 1
1 1050 . 17 1 1 A 102 102 THR CA C 725 61.802 60.622 1.180 1
1 1051 . 17 1 1 A 102 102 THR HA H 725 4.366 4.745 -0.379 1
1 1052 . 17 1 1 A 102 102 THR CB C 725 69.684 69.043 0.641 1
1 1058 . 17 1 1 A 103 103 ASP N N 726 121.846 123.569 -1.723 1
1 1059 . 17 1 1 A 103 103 ASP H H 726 8.195 7.483 0.712 1
1 1060 . 17 1 1 A 103 103 ASP CA C 726 54.057 54.604 -0.547 1
1 1061 . 17 1 1 A 103 103 ASP HA H 726 4.681 4.573 0.108 1
1 1062 . 17 1 1 A 103 103 ASP CB C 726 41.228 40.818 0.410 1
1 1064 . 17 1 1 A 104 104 SER N N 727 116.230 122.537 -6.307 1
1 1065 . 17 1 1 A 104 104 SER H H 727 8.260 8.681 -0.421 1
1 1066 . 17 1 1 A 104 104 SER CA C 727 58.945 56.606 2.339 1
1 1067 . 17 1 1 A 104 104 SER HA H 727 4.468 4.793 -0.325 1
1 1068 . 17 1 1 A 104 104 SER CB C 727 63.856 63.650 0.206 1
1 1070 . 17 1 1 A 105 105 THR N N 728 115.362 112.422 2.940 1
1 1071 . 17 1 1 A 105 105 THR H H 728 8.205 8.158 0.047 1
1 1072 . 17 1 1 A 105 105 THR CA C 728 62.744 63.133 -0.389 1
1 1073 . 17 1 1 A 105 105 THR HA H 728 4.238 3.926 0.312 1
1 1074 . 17 1 1 A 105 105 THR CB C 728 69.490 66.663 2.827 1
1 1080 . 17 1 1 A 106 106 PHE N N 729 121.735 121.436 0.299 1
1 1081 . 17 1 1 A 106 106 PHE H H 729 8.047 8.043 0.004 1
1 1082 . 17 1 1 A 106 106 PHE CA C 729 57.966 57.653 0.313 1
1 1083 . 17 1 1 A 106 106 PHE HA H 729 4.626 4.743 -0.117 1
1 1084 . 17 1 1 A 106 106 PHE CB C 729 39.633 39.163 0.470 1
1 1090 . 17 1 1 A 107 107 SER N N 730 116.751 117.916 -1.165 1
1 1091 . 17 1 1 A 107 107 SER H H 730 7.962 8.452 -0.490 1
1 1092 . 17 1 1 A 107 107 SER CA C 730 57.921 58.644 -0.723 1
1 1093 . 17 1 1 A 107 107 SER HA H 730 4.413 4.763 -0.350 1
1 1094 . 17 1 1 A 107 107 SER CB C 730 63.659 65.065 -1.406 1
1 1097 . 17 1 1 A 108 108 LEU N N 731 123.373 120.612 2.761 1
1 1098 . 17 1 1 A 108 108 LEU H H 731 8.212 8.317 -0.105 1
1 1099 . 17 1 1 A 108 108 LEU CA C 731 55.650 57.797 -2.147 1
1 1100 . 17 1 1 A 108 108 LEU HA H 731 4.265 4.084 0.181 1
1 1101 . 17 1 1 A 108 108 LEU CB C 731 42.257 41.465 0.792 1
1 1113 . 17 1 1 A 109 109 ASP N N 732 118.496 118.985 -0.489 1
1 1114 . 17 1 1 A 109 109 ASP H H 732 8.172 7.935 0.237 1
1 1115 . 17 1 1 A 109 109 ASP CA C 732 54.239 52.906 1.333 1
1 1116 . 17 1 1 A 109 109 ASP HA H 732 4.566 4.859 -0.293 1
1 1117 . 17 1 1 A 109 109 ASP CB C 732 41.124 40.562 0.562 1
1 1120 . 17 1 1 A 110 110 GLN N N 733 119.403 118.755 0.648 1
1 1121 . 17 1 1 A 110 110 GLN H H 733 7.707 8.235 -0.528 1
1 1122 . 17 1 1 A 110 110 GLN CA C 733 53.251 56.623 -3.372 1
1 1123 . 17 1 1 A 110 110 GLN HA H 733 4.675 4.101 0.574 1
1 1124 . 17 1 1 A 110 110 GLN CB C 733 29.061 26.389 2.672 1
1 1129 . 17 1 1 A 111 111 PRO CA C 734 63.869 64.379 -0.510 1
1 1130 . 17 1 1 A 111 111 PRO HA H 734 4.435 4.309 0.126 1
1 1131 . 17 1 1 A 111 111 PRO CB C 734 31.900 31.664 0.236 1
1 1139 . 17 1 1 A 112 112 GLY N N 735 109.783 105.839 3.944 1
1 1140 . 17 1 1 A 112 112 GLY H H 735 8.510 8.023 0.487 1
1 1141 . 17 1 1 A 112 112 GLY CA C 735 44.954 45.065 -0.111 1
1 1142 . 17 1 1 A 112 112 GLY HA3 H 735 3.903 3.958 -0.055 1
1 1143 . 17 1 1 A 112 112 GLY HA2 H 735 3.994 3.948 0.046 1
1 1144 . 17 1 1 A 113 113 GLY N N 736 108.485 108.915 -0.430 1
1 1145 . 17 1 1 A 113 113 GLY H H 736 8.138 8.101 0.037 1
1 1146 . 17 1 1 A 113 113 GLY CA C 736 44.755 47.141 -2.386 1
1 1147 . 17 1 1 A 113 113 GLY HA3 H 736 3.899 3.885 0.014 1
1 1148 . 17 1 1 A 113 113 GLY HA2 H 736 3.964 3.882 0.082 1
1 1149 . 17 1 1 A 114 114 THR N N 737 116.361 111.283 5.078 1
1 1150 . 17 1 1 A 114 114 THR H H 737 7.951 8.274 -0.323 1
1 1151 . 17 1 1 A 114 114 THR CA C 737 62.508 62.345 0.163 1
1 1152 . 17 1 1 A 114 114 THR HA H 737 4.189 4.510 -0.321 1
1 1153 . 17 1 1 A 114 114 THR CB C 737 69.780 71.188 -1.408 1
1 1159 . 17 1 1 A 115 115 LEU N N 738 125.899 120.880 5.019 1
1 1160 . 17 1 1 A 115 115 LEU H H 738 8.575 7.907 0.668 1
1 1161 . 17 1 1 A 115 115 LEU CA C 738 54.534 55.420 -0.886 1
1 1162 . 17 1 1 A 115 115 LEU HA H 738 4.452 4.121 0.331 1
1 1163 . 17 1 1 A 115 115 LEU CB C 738 45.506 41.814 3.692 1
1 1176 . 17 1 1 A 116 116 ASP N N 739 115.416 122.463 -7.047 1
1 1177 . 17 1 1 A 116 116 ASP H H 739 6.819 8.550 -1.731 1
1 1178 . 17 1 1 A 116 116 ASP CA C 739 52.606 52.053 0.553 1
1 1179 . 17 1 1 A 116 116 ASP HA H 739 4.472 4.970 -0.498 1
1 1180 . 17 1 1 A 116 116 ASP CB C 739 42.811 43.860 -1.049 1
1 1183 . 17 1 1 A 117 117 LEU N N 740 115.281 121.513 -6.232 1
1 1184 . 17 1 1 A 117 117 LEU H H 740 8.213 8.746 -0.533 1
1 1185 . 17 1 1 A 117 117 LEU CA C 740 57.750 57.649 0.101 1
1 1186 . 17 1 1 A 117 117 LEU HA H 740 3.841 3.701 0.140 1
1 1187 . 17 1 1 A 117 117 LEU CB C 740 42.005 41.202 0.803 1
1 1200 . 17 1 1 A 118 118 THR N N 741 116.995 111.774 5.221 1
1 1201 . 17 1 1 A 118 118 THR H H 741 8.152 7.839 0.313 1
1 1202 . 17 1 1 A 118 118 THR CA C 741 68.068 65.767 2.301 1
1 1203 . 17 1 1 A 118 118 THR HA H 741 4.054 4.086 -0.032 1
1 1204 . 17 1 1 A 118 118 THR CB C 741 68.392 68.594 -0.202 1
1 1210 . 17 1 1 A 119 119 LEU N N 742 127.180 123.532 3.648 1
1 1211 . 17 1 1 A 119 119 LEU H H 742 8.804 8.331 0.473 1
1 1212 . 17 1 1 A 119 119 LEU CA C 742 58.460 58.697 -0.237 1
1 1213 . 17 1 1 A 119 119 LEU HA H 742 4.214 4.020 0.194 1
1 1214 . 17 1 1 A 119 119 LEU CB C 742 42.491 42.062 0.429 1
1 1227 . 17 1 1 A 120 120 ILE N N 743 120.880 119.501 1.379 1
1 1228 . 17 1 1 A 120 120 ILE H H 743 7.884 8.030 -0.146 1
1 1229 . 17 1 1 A 120 120 ILE CA C 743 65.546 65.468 0.078 1
1 1230 . 17 1 1 A 120 120 ILE HA H 743 4.101 3.563 0.538 1
1 1231 . 17 1 1 A 120 120 ILE CB C 743 38.693 37.724 0.969 1
1 1244 . 17 1 1 A 121 121 ARG N N 744 119.772 120.506 -0.734 1
1 1245 . 17 1 1 A 121 121 ARG H H 744 8.792 8.590 0.202 1
1 1246 . 17 1 1 A 121 121 ARG CA C 744 60.369 59.442 0.927 1
1 1247 . 17 1 1 A 121 121 ARG HA H 744 3.896 3.802 0.094 1
1 1248 . 17 1 1 A 121 121 ARG CB C 744 30.241 30.233 0.008 1
1 1257 . 17 1 1 A 122 122 ALA N N 745 120.978 120.446 0.532 1
1 1258 . 17 1 1 A 122 122 ALA H H 745 8.303 8.457 -0.154 1
1 1259 . 17 1 1 A 122 122 ALA CA C 745 55.203 54.858 0.345 1
1 1260 . 17 1 1 A 122 122 ALA HA H 745 4.246 4.003 0.243 1
1 1261 . 17 1 1 A 122 122 ALA CB C 745 18.005 18.307 -0.302 1
1 1265 . 17 1 1 A 123 123 ARG N N 746 119.408 118.488 0.920 1
1 1266 . 17 1 1 A 123 123 ARG H H 746 8.224 7.591 0.633 1
1 1267 . 17 1 1 A 123 123 ARG CA C 746 59.895 59.006 0.889 1
1 1268 . 17 1 1 A 123 123 ARG HA H 746 4.335 4.220 0.115 1
1 1269 . 17 1 1 A 123 123 ARG CB C 746 29.768 29.941 -0.173 1
1 1279 . 17 1 1 A 124 124 LEU N N 747 125.115 120.480 4.635 1
1 1280 . 17 1 1 A 124 124 LEU H H 747 9.029 7.930 1.099 1
1 1281 . 17 1 1 A 124 124 LEU CA C 747 57.559 57.273 0.286 1
1 1282 . 17 1 1 A 124 124 LEU HA H 747 4.925 3.663 1.262 1
1 1283 . 17 1 1 A 124 124 LEU CB C 747 42.721 40.867 1.854 1
1 1296 . 17 1 1 A 125 125 GLN N N 748 114.117 116.178 -2.061 1
1 1297 . 17 1 1 A 125 125 GLN H H 748 8.418 7.912 0.506 1
1 1298 . 17 1 1 A 125 125 GLN CA C 748 55.664 55.675 -0.011 1
1 1299 . 17 1 1 A 125 125 GLN HA H 748 4.444 4.293 0.151 1
1 1300 . 17 1 1 A 125 125 GLN CB C 748 29.301 29.339 -0.038 1
1 1309 . 17 1 1 A 126 126 GLU N N 749 113.381 118.252 -4.871 1
1 1310 . 17 1 1 A 126 126 GLU H H 749 7.978 8.518 -0.540 1
1 1311 . 17 1 1 A 126 126 GLU CA C 749 57.789 57.840 -0.051 1
1 1312 . 17 1 1 A 126 126 GLU HA H 749 4.156 4.105 0.051 1
1 1313 . 17 1 1 A 126 126 GLU CB C 749 25.906 29.413 -3.507 1
1 1318 . 17 1 1 A 127 127 LYS N N 750 116.557 119.321 -2.764 1
1 1319 . 17 1 1 A 127 127 LYS H H 750 8.538 7.991 0.547 1
1 1320 . 17 1 1 A 127 127 LYS CA C 750 56.417 58.712 -2.295 1
1 1321 . 17 1 1 A 127 127 LYS HA H 750 4.344 4.083 0.261 1
1 1322 . 17 1 1 A 127 127 LYS CB C 750 33.029 32.288 0.741 1
1 1332 . 17 1 1 A 128 128 LEU N N 751 119.986 120.196 -0.210 1
1 1333 . 17 1 1 A 128 128 LEU H H 751 6.949 7.537 -0.588 1
1 1334 . 17 1 1 A 128 128 LEU CA C 751 53.476 56.931 -3.455 1
1 1335 . 17 1 1 A 128 128 LEU HA H 751 4.532 4.274 0.258 1
1 1336 . 17 1 1 A 128 128 LEU CB C 751 45.503 42.360 3.143 1
1 1349 . 17 1 1 A 129 129 SER N N 752 118.455 112.452 6.003 1
1 1350 . 17 1 1 A 129 129 SER H H 752 8.225 7.852 0.373 1
1 1351 . 17 1 1 A 129 129 SER CA C 752 56.129 56.766 -0.637 1
1 1352 . 17 1 1 A 129 129 SER HA H 752 4.434 4.830 -0.396 1
1 1353 . 17 1 1 A 129 129 SER CB C 752 63.911 63.849 0.062 1
1 1356 . 17 1 1 A 130 130 PRO CA C 753 61.355 61.826 -0.471 1
1 1357 . 17 1 1 A 130 130 PRO HA H 753 5.026 4.675 0.351 1
1 1358 . 17 1 1 A 130 130 PRO CB C 753 32.831 32.885 -0.054 1
1 1366 . 17 1 1 A 131 131 PRO CA C 754 62.470 62.828 -0.358 1
1 1367 . 17 1 1 A 131 131 PRO HA H 754 4.651 4.559 0.092 1
1 1368 . 17 1 1 A 131 131 PRO CB C 754 32.403 32.194 0.209 1
1 1377 . 17 1 1 A 132 132 TYR N N 755 121.321 122.421 -1.100 1
1 1378 . 17 1 1 A 132 132 TYR H H 755 9.635 8.574 1.061 1
1 1379 . 17 1 1 A 132 132 TYR CA C 755 60.382 58.894 1.488 1
1 1380 . 17 1 1 A 132 132 TYR HA H 755 4.433 5.111 -0.678 1
1 1381 . 17 1 1 A 132 132 TYR CB C 755 38.713 38.895 -0.182 1
1 1388 . 17 1 1 A 133 133 SER N N 756 114.917 121.422 -6.505 1
1 1389 . 17 1 1 A 133 133 SER H H 756 9.343 8.970 0.373 1
1 1390 . 17 1 1 A 133 133 SER CA C 756 58.776 58.230 0.546 1
1 1391 . 17 1 1 A 133 133 SER HA H 756 4.430 4.722 -0.292 1
1 1392 . 17 1 1 A 133 133 SER CB C 756 64.839 64.398 0.441 1
1 1394 . 17 1 1 A 134 134 SER N N 757 112.021 111.929 0.092 1
1 1395 . 17 1 1 A 134 134 SER H H 757 7.500 7.088 0.412 1
1 1396 . 17 1 1 A 134 134 SER CA C 757 56.158 56.784 -0.626 1
1 1397 . 17 1 1 A 134 134 SER HA H 757 4.950 4.511 0.439 1
1 1398 . 17 1 1 A 134 134 SER CB C 757 63.906 64.664 -0.758 1
1 1401 . 17 1 1 A 135 135 PRO CA C 758 64.159 65.078 -0.919 1
1 1402 . 17 1 1 A 135 135 PRO HA H 758 4.132 4.418 -0.286 1
1 1403 . 17 1 1 A 135 135 PRO CB C 758 31.649 32.035 -0.386 1
1 1412 . 17 1 1 A 136 136 GLN N N 759 116.382 116.344 0.038 1
1 1413 . 17 1 1 A 136 136 GLN H H 759 8.067 8.300 -0.233 1
1 1414 . 17 1 1 A 136 136 GLN CA C 759 59.483 58.480 1.003 1
1 1415 . 17 1 1 A 136 136 GLN HA H 759 3.963 3.985 -0.022 1
1 1416 . 17 1 1 A 136 136 GLN CB C 759 27.414 28.101 -0.687 1
1 1425 . 17 1 1 A 137 137 GLU N N 760 121.764 119.596 2.168 1
1 1426 . 17 1 1 A 137 137 GLU H H 760 7.826 8.566 -0.740 1
1 1427 . 17 1 1 A 137 137 GLU CA C 760 59.184 59.299 -0.115 1
1 1428 . 17 1 1 A 137 137 GLU HA H 760 4.063 4.011 0.052 1
1 1429 . 17 1 1 A 137 137 GLU CB C 760 30.403 29.273 1.130 1
1 1435 . 17 1 1 A 138 138 PHE N N 761 120.582 119.437 1.145 1
1 1436 . 17 1 1 A 138 138 PHE H H 761 6.900 8.471 -1.571 1
1 1437 . 17 1 1 A 138 138 PHE CA C 761 60.105 59.722 0.383 1
1 1438 . 17 1 1 A 138 138 PHE HA H 761 3.604 4.609 -1.005 1
1 1439 . 17 1 1 A 138 138 PHE CB C 761 38.271 38.557 -0.286 1
1 1448 . 17 1 1 A 139 139 ALA N N 762 120.917 123.763 -2.846 1
1 1449 . 17 1 1 A 139 139 ALA H H 762 8.399 8.650 -0.251 1
1 1450 . 17 1 1 A 139 139 ALA CA C 762 54.940 55.462 -0.522 1
1 1451 . 17 1 1 A 139 139 ALA HA H 762 3.804 4.292 -0.488 1
1 1452 . 17 1 1 A 139 139 ALA CB C 762 18.001 18.251 -0.250 1
1 1456 . 17 1 1 A 140 140 GLN N N 763 119.041 117.259 1.782 1
1 1457 . 17 1 1 A 140 140 GLN H H 763 8.436 8.371 0.065 1
1 1458 . 17 1 1 A 140 140 GLN CA C 763 58.474 59.043 -0.569 1
1 1459 . 17 1 1 A 140 140 GLN HA H 763 4.056 4.042 0.014 1
1 1460 . 17 1 1 A 140 140 GLN CB C 763 28.345 28.124 0.221 1
1 1469 . 17 1 1 A 141 141 ASP N N 764 122.985 119.132 3.853 1
1 1470 . 17 1 1 A 141 141 ASP H H 764 7.694 7.562 0.132 1
1 1471 . 17 1 1 A 141 141 ASP CA C 764 57.087 57.309 -0.222 1
1 1472 . 17 1 1 A 141 141 ASP HA H 764 4.517 4.317 0.200 1
1 1473 . 17 1 1 A 141 141 ASP CB C 764 39.897 40.654 -0.757 1
1 1476 . 17 1 1 A 142 142 VAL N N 765 119.630 119.001 0.629 1
1 1477 . 17 1 1 A 142 142 VAL H H 765 7.431 8.692 -1.261 1
1 1478 . 17 1 1 A 142 142 VAL CA C 765 66.489 65.769 0.720 1
1 1479 . 17 1 1 A 142 142 VAL HA H 765 2.740 3.159 -0.419 1
1 1480 . 17 1 1 A 142 142 VAL CB C 765 30.729 30.982 -0.253 1
1 1490 . 17 1 1 A 143 143 GLY N N 766 104.089 107.026 -2.937 1
1 1491 . 17 1 1 A 143 143 GLY H H 766 8.089 8.424 -0.335 1
1 1492 . 17 1 1 A 143 143 GLY CA C 766 47.271 46.762 0.509 1
1 1493 . 17 1 1 A 143 143 GLY HA3 H 766 3.783 3.562 0.221 1
1 1494 . 17 1 1 A 143 143 GLY HA2 H 766 3.870 3.396 0.474 1
1 1495 . 17 1 1 A 144 144 ARG N N 767 123.406 121.813 1.593 1
1 1496 . 17 1 1 A 144 144 ARG H H 767 8.270 8.340 -0.070 1
1 1497 . 17 1 1 A 144 144 ARG CA C 767 59.627 59.246 0.381 1
1 1498 . 17 1 1 A 144 144 ARG HA H 767 4.026 4.057 -0.031 1
1 1499 . 17 1 1 A 144 144 ARG CB C 767 30.003 29.948 0.055 1
1 1507 . 17 1 1 A 145 145 MET N N 768 121.310 118.405 2.905 1
1 1508 . 17 1 1 A 145 145 MET H H 768 8.053 8.377 -0.324 1
1 1509 . 17 1 1 A 145 145 MET CA C 768 58.727 59.248 -0.521 1
1 1510 . 17 1 1 A 145 145 MET HA H 768 3.932 4.167 -0.235 1
1 1511 . 17 1 1 A 145 145 MET CB C 768 31.536 32.382 -0.846 1
1 1521 . 17 1 1 A 146 146 PHE N N 769 117.125 118.032 -0.907 1
1 1522 . 17 1 1 A 146 146 PHE H H 769 8.005 8.507 -0.502 1
1 1523 . 17 1 1 A 146 146 PHE CA C 769 59.441 61.795 -2.354 1
1 1524 . 17 1 1 A 146 146 PHE HA H 769 4.582 4.549 0.033 1
1 1525 . 17 1 1 A 146 146 PHE CB C 769 37.558 38.681 -1.123 1
1 1534 . 17 1 1 A 147 147 LYS N N 770 119.226 118.231 0.995 1
1 1535 . 17 1 1 A 147 147 LYS H H 770 8.078 8.229 -0.151 1
1 1536 . 17 1 1 A 147 147 LYS CA C 770 59.479 59.907 -0.428 1
1 1537 . 17 1 1 A 147 147 LYS HA H 770 4.153 3.960 0.193 1
1 1538 . 17 1 1 A 147 147 LYS CB C 770 32.336 32.366 -0.030 1
1 1547 . 17 1 1 A 148 148 GLN N N 771 118.870 117.917 0.953 1
1 1548 . 17 1 1 A 148 148 GLN H H 771 8.338 8.186 0.152 1
1 1549 . 17 1 1 A 148 148 GLN CA C 771 58.440 58.156 0.284 1
1 1550 . 17 1 1 A 148 148 GLN HA H 771 4.140 4.166 -0.026 1
1 1551 . 17 1 1 A 148 148 GLN CB C 771 28.382 28.322 0.060 1
1 1560 . 17 1 1 A 149 149 PHE N N 772 120.162 121.267 -1.105 1
1 1561 . 17 1 1 A 149 149 PHE H H 772 8.411 8.709 -0.298 1
1 1562 . 17 1 1 A 149 149 PHE CA C 772 60.460 61.081 -0.621 1
1 1563 . 17 1 1 A 149 149 PHE HA H 772 4.433 4.114 0.319 1
1 1564 . 17 1 1 A 149 149 PHE CB C 772 39.428 39.221 0.207 1
1 1573 . 17 1 1 A 150 150 ASN N N 773 117.836 117.165 0.671 1
1 1574 . 17 1 1 A 150 150 ASN H H 773 8.279 8.253 0.026 1
1 1575 . 17 1 1 A 150 150 ASN HA H 773 4.375 4.645 -0.270 1
1 1576 . 17 1 1 A 150 150 ASN CB C 773 38.977 38.633 0.344 1
1 1582 . 17 1 1 A 151 151 LYS N N 774 118.045 116.565 1.480 1
1 1583 . 17 1 1 A 151 151 LYS H H 774 7.648 7.467 0.181 1
1 1584 . 17 1 1 A 151 151 LYS CA C 774 57.563 56.702 0.861 1
1 1585 . 17 1 1 A 151 151 LYS HA H 774 4.225 4.421 -0.196 1
1 1586 . 17 1 1 A 151 151 LYS CB C 774 32.333 33.035 -0.702 1
1 1595 . 17 1 1 A 152 152 LEU N N 775 119.031 114.081 4.950 1
1 1596 . 17 1 1 A 152 152 LEU H H 775 7.825 7.657 0.168 1
1 1597 . 17 1 1 A 152 152 LEU CA C 775 55.990 56.105 -0.115 1
1 1598 . 17 1 1 A 152 152 LEU HA H 775 4.270 4.309 -0.039 1
1 1599 . 17 1 1 A 152 152 LEU CB C 775 42.487 42.558 -0.071 1
1 1612 . 17 1 1 A 153 153 THR N N 776 110.107 111.619 -1.512 1
1 1613 . 17 1 1 A 153 153 THR H H 776 7.525 7.873 -0.348 1
1 1614 . 17 1 1 A 153 153 THR CA C 776 61.535 64.866 -3.331 1
1 1615 . 17 1 1 A 153 153 THR HA H 776 4.332 4.039 0.293 1
1 1616 . 17 1 1 A 153 153 THR CB C 776 69.570 68.519 1.051 1
1 1622 . 17 1 1 A 154 154 GLU N N 777 122.427 121.755 0.672 1
1 1623 . 17 1 1 A 154 154 GLU H H 777 8.027 8.078 -0.051 1
1 1624 . 17 1 1 A 154 154 GLU CA C 777 57.720 57.975 -0.255 1
1 1625 . 17 1 1 A 154 154 GLU HA H 777 4.216 4.307 -0.091 1
1 1626 . 17 1 1 A 154 154 GLU CB C 777 29.977 27.988 1.989 1
1 1631 . 17 1 1 A 155 155 ASP N N 778 119.283 118.500 0.783 1
1 1632 . 17 1 1 A 155 155 ASP H H 778 8.372 8.654 -0.282 1
1 1633 . 17 1 1 A 155 155 ASP CA C 778 54.709 55.451 -0.742 1
1 1634 . 17 1 1 A 155 155 ASP HA H 778 4.602 4.604 -0.002 1
1 1635 . 17 1 1 A 155 155 ASP CB C 778 40.600 41.396 -0.796 1
1 1638 . 17 1 1 A 156 156 LYS N N 779 120.684 118.171 2.513 1
1 1639 . 17 1 1 A 156 156 LYS H H 779 8.068 7.575 0.493 1
1 1640 . 17 1 1 A 156 156 LYS CA C 779 56.388 55.334 1.054 1
1 1641 . 17 1 1 A 156 156 LYS HA H 779 4.333 4.402 -0.069 1
1 1642 . 17 1 1 A 156 156 LYS CB C 779 32.814 33.626 -0.812 1
1 1651 . 17 1 1 A 157 157 ALA N N 780 123.182 123.074 0.108 1
1 1652 . 17 1 1 A 157 157 ALA H H 780 8.197 8.155 0.042 1
1 1653 . 17 1 1 A 157 157 ALA CA C 780 52.591 54.064 -1.473 1
1 1654 . 17 1 1 A 157 157 ALA HA H 780 4.337 4.048 0.289 1
1 1655 . 17 1 1 A 157 157 ALA CB C 780 19.186 19.301 -0.115 1
1 1659 . 17 1 1 A 158 158 ASP N N 781 118.794 117.304 1.490 1
1 1660 . 17 1 1 A 158 158 ASP H H 781 8.222 7.473 0.749 1
1 1661 . 17 1 1 A 158 158 ASP CA C 781 54.003 55.516 -1.513 1
1 1662 . 17 1 1 A 158 158 ASP HA H 781 4.673 4.792 -0.119 1
1 1663 . 17 1 1 A 158 158 ASP CB C 781 41.075 40.416 0.659 1
1 1666 . 17 1 1 A 159 159 VAL N N 782 120.713 116.223 4.490 1
1 1667 . 17 1 1 A 159 159 VAL H H 782 8.039 8.084 -0.045 1
1 1668 . 17 1 1 A 159 159 VAL CA C 782 63.898 63.878 0.020 1
1 1669 . 17 1 1 A 159 159 VAL HA H 782 4.028 4.097 -0.069 1
1 1670 . 17 1 1 A 159 159 VAL CB C 782 32.181 32.677 -0.496 1
1 1680 . 17 1 1 A 160 160 GLN N N 783 120.756 122.459 -1.703 1
1 1681 . 17 1 1 A 160 160 GLN H H 783 8.370 8.517 -0.147 1
1 1682 . 17 1 1 A 160 160 GLN CA C 783 57.563 58.295 -0.732 1
1 1683 . 17 1 1 A 160 160 GLN HA H 783 4.219 4.027 0.192 1
1 1684 . 17 1 1 A 160 160 GLN CB C 783 28.410 28.255 0.155 1
1 1691 . 17 1 1 A 161 161 SER N N 784 116.111 114.939 1.172 1
1 1692 . 17 1 1 A 161 161 SER H H 784 8.190 8.033 0.157 1
1 1693 . 17 1 1 A 161 161 SER CA C 784 60.089 61.232 -1.143 1
1 1694 . 17 1 1 A 161 161 SER HA H 784 4.361 4.213 0.148 1
1 1695 . 17 1 1 A 161 161 SER CB C 784 62.955 62.639 0.316 1
1 1698 . 17 1 1 A 162 162 ILE N N 785 122.105 122.544 -0.439 1
1 1699 . 17 1 1 A 162 162 ILE H H 785 8.014 7.756 0.258 1
1 1700 . 17 1 1 A 162 162 ILE CA C 785 62.963 64.361 -1.398 1
1 1701 . 17 1 1 A 162 162 ILE HA H 785 3.986 3.596 0.390 1
1 1702 . 17 1 1 A 162 162 ILE CB C 785 37.568 37.442 0.126 1
1 1715 . 17 1 1 A 163 163 ILE N N 786 122.150 120.754 1.396 1
1 1716 . 17 1 1 A 163 163 ILE H H 786 7.913 8.787 -0.874 1
1 1717 . 17 1 1 A 163 163 ILE CA C 786 64.074 65.151 -1.077 1
1 1718 . 17 1 1 A 163 163 ILE HA H 786 3.947 3.709 0.238 1
1 1719 . 17 1 1 A 163 163 ILE CB C 786 37.561 37.974 -0.413 1
1 1732 . 17 1 1 A 164 164 GLY N N 787 107.177 107.743 -0.566 1
1 1733 . 17 1 1 A 164 164 GLY H H 787 8.057 8.125 -0.068 1
1 1734 . 17 1 1 A 164 164 GLY CA C 787 46.938 46.782 0.156 1
1 1735 . 17 1 1 A 164 164 GLY HA3 H 787 3.907 3.858 0.049 1
1 1736 . 17 1 1 A 164 164 GLY HA2 H 787 4.007 3.836 0.171 1
1 1737 . 17 1 1 A 165 165 LEU N N 788 123.590 123.385 0.205 1
1 1738 . 17 1 1 A 165 165 LEU H H 788 7.676 7.470 0.206 1
1 1739 . 17 1 1 A 165 165 LEU CA C 788 57.738 56.986 0.752 1
1 1740 . 17 1 1 A 165 165 LEU HA H 788 4.052 3.881 0.171 1
1 1741 . 17 1 1 A 165 165 LEU CB C 788 40.833 41.861 -1.028 1
1 1753 . 17 1 1 A 166 166 GLN N N 789 119.114 118.062 1.052 1
1 1754 . 17 1 1 A 166 166 GLN H H 789 7.956 8.535 -0.579 1
1 1755 . 17 1 1 A 166 166 GLN CA C 789 59.445 58.955 0.490 1
1 1756 . 17 1 1 A 166 166 GLN HA H 789 3.844 3.048 0.796 1
1 1757 . 17 1 1 A 166 166 GLN CB C 789 27.826 27.758 0.068 1
1 1765 . 17 1 1 A 167 167 ARG N N 790 118.851 119.706 -0.855 1
1 1766 . 17 1 1 A 167 167 ARG H H 790 8.387 8.341 0.046 1
1 1767 . 17 1 1 A 167 167 ARG CA C 790 58.942 59.224 -0.282 1
1 1768 . 17 1 1 A 167 167 ARG HA H 790 4.191 4.106 0.085 1
1 1769 . 17 1 1 A 167 167 ARG CB C 790 29.829 29.956 -0.127 1
1 1776 . 17 1 1 A 168 168 PHE N N 791 122.408 121.233 1.175 1
1 1777 . 17 1 1 A 168 168 PHE H H 791 8.127 7.925 0.202 1
1 1778 . 17 1 1 A 168 168 PHE CA C 791 61.976 61.299 0.677 1
1 1779 . 17 1 1 A 168 168 PHE HA H 791 4.164 4.335 -0.171 1
1 1780 . 17 1 1 A 168 168 PHE CB C 791 38.894 38.807 0.087 1
1 1788 . 17 1 1 A 169 169 PHE N N 792 119.223 120.633 -1.410 1
1 1789 . 17 1 1 A 169 169 PHE H H 792 8.500 9.119 -0.619 1
1 1790 . 17 1 1 A 169 169 PHE CA C 792 61.093 62.524 -1.431 1
1 1791 . 17 1 1 A 169 169 PHE HA H 792 4.053 4.533 -0.480 1
1 1792 . 17 1 1 A 169 169 PHE CB C 792 39.182 39.773 -0.591 1
1 1800 . 17 1 1 A 170 170 GLU N N 793 119.089 118.482 0.607 1
1 1801 . 17 1 1 A 170 170 GLU H H 793 8.718 8.436 0.282 1
1 1802 . 17 1 1 A 170 170 GLU CA C 793 59.843 59.217 0.626 1
1 1803 . 17 1 1 A 170 170 GLU HA H 793 3.483 3.752 -0.269 1
1 1804 . 17 1 1 A 170 170 GLU CB C 793 29.372 29.316 0.056 1
1 1810 . 17 1 1 A 171 171 THR N N 794 115.081 118.008 -2.927 1
1 1811 . 17 1 1 A 171 171 THR H H 794 8.205 8.184 0.021 1
1 1812 . 17 1 1 A 171 171 THR CA C 794 66.661 66.902 -0.241 1
1 1813 . 17 1 1 A 171 171 THR HA H 794 3.935 3.683 0.252 1
1 1814 . 17 1 1 A 171 171 THR CB C 794 68.604 68.392 0.212 1
1 1820 . 17 1 1 A 172 172 ARG N N 795 120.165 119.323 0.842 1
1 1821 . 17 1 1 A 172 172 ARG H H 795 7.776 7.813 -0.037 1
1 1822 . 17 1 1 A 172 172 ARG CA C 795 57.535 59.542 -2.007 1
1 1823 . 17 1 1 A 172 172 ARG HA H 795 4.030 4.419 -0.389 1
1 1824 . 17 1 1 A 172 172 ARG CB C 795 29.886 30.405 -0.519 1
1 1828 . 17 1 1 A 173 173 MET N N 796 120.347 119.184 1.163 1
1 1829 . 17 1 1 A 173 173 MET H H 796 8.503 8.291 0.212 1
1 1830 . 17 1 1 A 173 173 MET CA C 796 57.453 57.990 -0.537 1
1 1831 . 17 1 1 A 173 173 MET HA H 796 4.383 4.232 0.151 1
1 1832 . 17 1 1 A 173 173 MET CB C 796 30.469 32.312 -1.843 1
1 1840 . 17 1 1 A 174 174 ASN N N 797 119.200 117.673 1.527 1
1 1841 . 17 1 1 A 174 174 ASN H H 797 8.351 7.621 0.730 1
1 1842 . 17 1 1 A 174 174 ASN CA C 797 55.851 55.638 0.213 1
1 1843 . 17 1 1 A 174 174 ASN HA H 797 4.510 4.737 -0.227 1
1 1844 . 17 1 1 A 174 174 ASN CB C 797 38.213 39.278 -1.065 1
1 1850 . 17 1 1 A 175 175 GLU N N 798 119.589 118.820 0.769 1
1 1851 . 17 1 1 A 175 175 GLU H H 798 7.896 8.648 -0.752 1
1 1852 . 17 1 1 A 175 175 GLU CA C 798 59.033 58.866 0.167 1
1 1853 . 17 1 1 A 175 175 GLU HA H 798 3.967 3.928 0.039 1
1 1854 . 17 1 1 A 175 175 GLU CB C 798 29.296 29.086 0.210 1
1 1860 . 17 1 1 A 176 176 ALA N N 799 116.937 121.911 -4.974 1
1 1861 . 17 1 1 A 176 176 ALA H H 799 8.030 7.708 0.322 1
1 1862 . 17 1 1 A 176 176 ALA CA C 799 54.179 54.046 0.133 1
1 1863 . 17 1 1 A 176 176 ALA HA H 799 4.085 4.436 -0.351 1
1 1864 . 17 1 1 A 176 176 ALA CB C 799 19.432 20.110 -0.678 1
1 1868 . 17 1 1 A 177 177 PHE N N 800 112.840 115.053 -2.213 1
1 1869 . 17 1 1 A 177 177 PHE H H 800 8.544 8.302 0.242 1
1 1870 . 17 1 1 A 177 177 PHE CA C 800 59.182 58.229 0.953 1
1 1871 . 17 1 1 A 177 177 PHE HA H 800 4.515 4.700 -0.185 1
1 1872 . 17 1 1 A 177 177 PHE CB C 800 39.642 38.257 1.385 1
1 1881 . 17 1 1 A 178 178 GLY N N 801 110.339 107.968 2.371 1
1 1882 . 17 1 1 A 178 178 GLY H H 801 7.974 7.787 0.187 1
1 1883 . 17 1 1 A 178 178 GLY CA C 801 45.607 46.033 -0.426 1
1 1884 . 17 1 1 A 178 178 GLY HA3 H 801 3.988 4.133 -0.145 1
1 1885 . 17 1 1 A 178 178 GLY HA2 H 801 4.031 4.120 -0.089 1
1 1886 . 17 1 1 A 179 179 ASP N N 802 119.627 117.284 2.343 1
1 1887 . 17 1 1 A 179 179 ASP H H 802 8.185 7.833 0.352 1
1 1888 . 17 1 1 A 179 179 ASP CA C 802 53.949 55.066 -1.117 1
1 1889 . 17 1 1 A 179 179 ASP HA H 802 4.679 4.704 -0.025 1
1 1890 . 17 1 1 A 179 179 ASP CB C 802 41.070 42.486 -1.416 1
1 1892 . 17 1 1 A 180 180 THR N N 803 113.769 114.959 -1.190 1
1 1893 . 17 1 1 A 180 180 THR H H 803 8.037 8.038 -0.001 1
1 1894 . 17 1 1 A 180 180 THR CA C 803 61.885 67.535 -5.650 1
1 1895 . 17 1 1 A 180 180 THR HA H 803 4.331 3.769 0.562 1
1 1896 . 17 1 1 A 180 180 THR CB C 803 70.002 68.416 1.586 1
1 1902 . 17 1 1 A 181 181 LYS N N 804 122.277 118.484 3.793 1
1 1903 . 17 1 1 A 181 181 LYS H H 804 8.198 8.481 -0.283 1
1 1904 . 17 1 1 A 181 181 LYS CA C 804 56.652 57.659 -1.007 1
1 1905 . 17 1 1 A 181 181 LYS HA H 804 4.151 4.102 0.049 1
1 1906 . 17 1 1 A 181 181 LYS CB C 804 32.377 30.422 1.955 1
1 1914 . 17 1 1 A 182 182 PHE N N 805 119.784 110.879 8.905 1
1 1915 . 17 1 1 A 182 182 PHE H H 805 8.206 8.253 -0.047 1
1 1916 . 17 1 1 A 182 182 PHE CA C 805 57.256 58.913 -1.657 1
1 1917 . 17 1 1 A 182 182 PHE HA H 805 4.664 4.020 0.644 1
1 1918 . 17 1 1 A 182 182 PHE CB C 805 38.774 36.878 1.896 1
1 1927 . 17 1 1 A 183 183 SER N N 806 123.742 111.453 12.289 1
1 1928 . 17 1 1 A 183 183 SER H H 806 8.121 8.562 -0.441 1
1 1929 . 17 1 1 A 183 183 SER CA C 806 58.203 59.313 -1.110 1
1 1930 . 17 1 1 A 183 183 SER HA H 806 4.361 4.225 0.136 1
1 1931 . 17 1 1 A 183 183 SER CB C 806 63.764 61.046 2.718 1
1 1934 . 17 1 1 A 184 184 ALA N N 807 125.704 119.972 5.732 1
1 1935 . 17 1 1 A 184 184 ALA H H 807 8.286 8.083 0.203 1
1 1936 . 17 1 1 A 184 184 ALA CA C 807 52.574 54.004 -1.430 1
1 1937 . 17 1 1 A 184 184 ALA HA H 807 4.360 4.073 0.287 1
1 1938 . 17 1 1 A 184 184 ALA CB C 807 18.947 18.438 0.509 1
1 1942 . 17 1 1 A 185 185 VAL N N 808 118.271 113.450 4.821 1
1 1943 . 17 1 1 A 185 185 VAL H H 808 7.958 7.794 0.164 1
1 1944 . 17 1 1 A 185 185 VAL CA C 808 62.216 62.341 -0.125 1
1 1945 . 17 1 1 A 185 185 VAL HA H 808 4.151 4.123 0.028 1
1 1946 . 17 1 1 A 185 185 VAL CB C 808 32.178 31.895 0.283 1
1 1952 . 17 1 1 A 186 186 LEU N N 809 125.280 120.407 4.873 1
1 1953 . 17 1 1 A 186 186 LEU H H 809 8.195 7.564 0.631 1
1 1954 . 17 1 1 A 186 186 LEU CA C 809 54.474 54.608 -0.134 1
1 1955 . 17 1 1 A 186 186 LEU HA H 809 4.430 4.420 0.010 1
1 1956 . 17 1 1 A 186 186 LEU CB C 809 42.303 42.263 0.040 1
1 1968 . 17 1 1 A 187 187 VAL N N 810 120.937 118.587 2.350 1
1 1969 . 17 1 1 A 187 187 VAL H H 810 7.985 7.882 0.103 1
1 1970 . 17 1 1 A 187 187 VAL CA C 810 62.004 61.291 0.713 1
1 1971 . 17 1 1 A 187 187 VAL HA H 810 4.155 4.376 -0.221 1
1 1972 . 17 1 1 A 187 187 VAL CB C 810 32.602 33.651 -1.049 1
1 1979 . 17 1 1 A 188 188 GLU N N 811 126.353 121.842 4.511 1
1 1980 . 17 1 1 A 188 188 GLU H H 811 8.292 8.054 0.238 1
1 1981 . 17 1 1 A 188 188 GLU CA C 811 54.162 57.199 -3.037 1
1 1982 . 17 1 1 A 188 188 GLU HA H 811 4.609 4.009 0.600 1
1 1983 . 17 1 1 A 188 188 GLU CB C 811 29.775 28.224 1.551 1
1 1 . 18 1 1 A 2 2 ALA CA C 625 52.969 51.741 1.228 1
1 2 . 18 1 1 A 2 2 ALA HA H 625 4.493 4.629 -0.136 1
1 3 . 18 1 1 A 2 2 ALA CB C 625 19.272 20.804 -1.532 1
1 7 . 18 1 1 A 3 3 THR N N 626 113.570 114.066 -0.496 1
1 8 . 18 1 1 A 3 3 THR H H 626 8.176 8.823 -0.647 1
1 9 . 18 1 1 A 3 3 THR CA C 626 61.314 66.959 -5.645 1
1 10 . 18 1 1 A 3 3 THR HA H 626 4.298 4.001 0.297 1
1 11 . 18 1 1 A 3 3 THR CB C 626 69.270 68.912 0.358 1
1 17 . 18 1 1 A 4 4 ILE N N 627 115.272 117.951 -2.679 1
1 18 . 18 1 1 A 4 4 ILE H H 627 7.549 7.880 -0.331 1
1 19 . 18 1 1 A 4 4 ILE CA C 627 58.731 61.637 -2.906 1
1 20 . 18 1 1 A 4 4 ILE HA H 627 4.258 4.411 -0.153 1
1 21 . 18 1 1 A 4 4 ILE CB C 627 42.246 36.718 5.528 1
1 34 . 18 1 1 A 5 5 CYS N N 628 124.095 125.180 -1.085 1
1 35 . 18 1 1 A 5 5 CYS H H 628 7.766 8.502 -0.736 1
1 36 . 18 1 1 A 5 5 CYS CA C 628 57.978 58.196 -0.218 1
1 37 . 18 1 1 A 5 5 CYS HA H 628 3.781 4.770 -0.989 1
1 38 . 18 1 1 A 5 5 CYS CB C 628 31.436 27.088 4.348 1
1 41 . 18 1 1 A 6 6 ARG N N 629 129.928 126.881 3.047 1
1 42 . 18 1 1 A 6 6 ARG H H 629 9.040 7.963 1.077 1
1 43 . 18 1 1 A 6 6 ARG CA C 629 57.514 59.306 -1.792 1
1 44 . 18 1 1 A 6 6 ARG HA H 629 3.900 3.697 0.203 1
1 45 . 18 1 1 A 6 6 ARG CB C 629 30.251 29.500 0.751 1
1 54 . 18 1 1 A 7 7 VAL N N 630 118.166 119.757 -1.591 1
1 55 . 18 1 1 A 7 7 VAL H H 630 8.734 7.525 1.209 1
1 56 . 18 1 1 A 7 7 VAL CA C 630 65.770 66.700 -0.930 1
1 57 . 18 1 1 A 7 7 VAL HA H 630 4.137 4.167 -0.030 1
1 58 . 18 1 1 A 7 7 VAL CB C 630 33.079 31.557 1.522 1
1 68 . 18 1 1 A 8 8 CYS N N 631 116.148 118.240 -2.092 1
1 69 . 18 1 1 A 8 8 CYS H H 631 8.143 7.564 0.579 1
1 70 . 18 1 1 A 8 8 CYS CA C 631 59.154 62.337 -3.183 1
1 71 . 18 1 1 A 8 8 CYS HA H 631 5.105 4.257 0.848 1
1 72 . 18 1 1 A 8 8 CYS CB C 631 31.184 28.020 3.164 1
1 75 . 18 1 1 A 9 9 GLN N N 632 115.248 117.294 -2.046 1
1 76 . 18 1 1 A 9 9 GLN H H 632 8.132 8.836 -0.704 1
1 77 . 18 1 1 A 9 9 GLN CA C 632 57.404 57.097 0.307 1
1 78 . 18 1 1 A 9 9 GLN HA H 632 4.068 3.823 0.245 1
1 79 . 18 1 1 A 9 9 GLN CB C 632 26.002 25.715 0.287 1
1 88 . 18 1 1 A 10 10 LYS N N 633 118.420 118.674 -0.254 1
1 89 . 18 1 1 A 10 10 LYS H H 633 8.091 7.729 0.362 1
1 90 . 18 1 1 A 10 10 LYS CA C 633 53.835 52.648 1.187 1
1 91 . 18 1 1 A 10 10 LYS HA H 633 5.046 4.703 0.343 1
1 92 . 18 1 1 A 10 10 LYS CB C 633 33.312 33.610 -0.298 1
1 102 . 18 1 1 A 11 11 PRO CA C 634 62.136 63.294 -1.158 1
1 103 . 18 1 1 A 11 11 PRO HA H 634 5.056 4.499 0.557 1
1 104 . 18 1 1 A 11 11 PRO CB C 634 33.061 33.090 -0.029 1
1 112 . 18 1 1 A 12 12 GLY N N 635 106.958 107.653 -0.695 1
1 113 . 18 1 1 A 12 12 GLY H H 635 8.475 8.161 0.314 1
1 114 . 18 1 1 A 12 12 GLY CA C 635 45.303 45.412 -0.109 1
1 115 . 18 1 1 A 12 12 GLY HA3 H 635 3.812 4.337 -0.525 1
1 116 . 18 1 1 A 12 12 GLY HA2 H 635 4.438 4.267 0.171 1
1 117 . 18 1 1 A 13 13 ASP N N 636 124.001 123.498 0.503 1
1 118 . 18 1 1 A 13 13 ASP H H 636 8.729 8.542 0.187 1
1 119 . 18 1 1 A 13 13 ASP CA C 636 54.239 52.957 1.282 1
1 120 . 18 1 1 A 13 13 ASP HA H 636 4.656 4.731 -0.075 1
1 121 . 18 1 1 A 13 13 ASP CB C 636 39.425 39.074 0.351 1
1 124 . 18 1 1 A 14 14 LEU N N 637 121.435 121.441 -0.006 1
1 125 . 18 1 1 A 14 14 LEU H H 637 7.849 7.559 0.290 1
1 126 . 18 1 1 A 14 14 LEU CA C 637 53.306 54.870 -1.564 1
1 127 . 18 1 1 A 14 14 LEU HA H 637 4.546 4.631 -0.085 1
1 128 . 18 1 1 A 14 14 LEU CB C 637 44.117 42.295 1.822 1
1 141 . 18 1 1 A 15 15 VAL N N 638 118.100 120.961 -2.861 1
1 142 . 18 1 1 A 15 15 VAL H H 638 8.703 8.969 -0.266 1
1 143 . 18 1 1 A 15 15 VAL CA C 638 59.865 60.189 -0.324 1
1 144 . 18 1 1 A 15 15 VAL HA H 638 4.383 4.888 -0.505 1
1 145 . 18 1 1 A 15 15 VAL CB C 638 33.305 34.091 -0.786 1
1 155 . 18 1 1 A 16 16 MET N N 639 125.271 127.840 -2.569 1
1 156 . 18 1 1 A 16 16 MET H H 639 8.519 9.148 -0.629 1
1 157 . 18 1 1 A 16 16 MET CA C 639 54.122 54.807 -0.685 1
1 158 . 18 1 1 A 16 16 MET HA H 639 5.210 5.322 -0.112 1
1 159 . 18 1 1 A 16 16 MET CB C 639 36.310 33.924 2.386 1
1 169 . 18 1 1 A 17 17 CYS N N 640 129.455 121.836 7.619 1
1 170 . 18 1 1 A 17 17 CYS H H 640 9.139 8.980 0.159 1
1 171 . 18 1 1 A 17 17 CYS CA C 640 59.996 59.688 0.308 1
1 172 . 18 1 1 A 17 17 CYS HA H 640 4.658 4.396 0.262 1
1 173 . 18 1 1 A 17 17 CYS CB C 640 31.238 28.965 2.273 1
1 176 . 18 1 1 A 18 18 ASN N N 641 128.271 127.715 0.556 1
1 177 . 18 1 1 A 18 18 ASN H H 641 8.914 9.347 -0.433 1
1 178 . 18 1 1 A 18 18 ASN CA C 641 55.658 55.422 0.236 1
1 179 . 18 1 1 A 18 18 ASN HA H 641 4.584 4.480 0.104 1
1 180 . 18 1 1 A 18 18 ASN CB C 641 38.955 38.445 0.510 1
1 186 . 18 1 1 A 19 19 GLN N N 642 121.426 116.043 5.383 1
1 187 . 18 1 1 A 19 19 GLN H H 642 9.313 7.572 1.741 1
1 188 . 18 1 1 A 19 19 GLN CA C 642 57.971 56.437 1.534 1
1 189 . 18 1 1 A 19 19 GLN HA H 642 4.502 4.467 0.035 1
1 190 . 18 1 1 A 19 19 GLN CB C 642 30.466 30.376 0.090 1
1 197 . 18 1 1 A 20 20 CYS N N 643 120.207 116.320 3.887 1
1 198 . 18 1 1 A 20 20 CYS H H 643 8.542 7.697 0.845 1
1 199 . 18 1 1 A 20 20 CYS CA C 643 59.473 58.677 0.796 1
1 200 . 18 1 1 A 20 20 CYS HA H 643 4.663 4.697 -0.034 1
1 201 . 18 1 1 A 20 20 CYS CB C 643 31.889 27.894 3.995 1
1 204 . 18 1 1 A 21 21 GLU N N 644 114.113 117.223 -3.110 1
1 205 . 18 1 1 A 21 21 GLU H H 644 7.441 8.341 -0.900 1
1 206 . 18 1 1 A 21 21 GLU CA C 644 57.994 58.275 -0.281 1
1 207 . 18 1 1 A 21 21 GLU HA H 644 4.285 4.122 0.163 1
1 208 . 18 1 1 A 21 21 GLU CB C 644 26.843 27.882 -1.039 1
1 214 . 18 1 1 A 22 22 PHE N N 645 120.911 119.731 1.180 1
1 215 . 18 1 1 A 22 22 PHE H H 645 8.941 8.258 0.683 1
1 216 . 18 1 1 A 22 22 PHE CA C 645 57.356 59.291 -1.935 1
1 217 . 18 1 1 A 22 22 PHE HA H 645 4.777 4.557 0.220 1
1 218 . 18 1 1 A 22 22 PHE CB C 645 38.709 39.605 -0.896 1
1 226 . 18 1 1 A 23 23 CYS N N 646 115.830 124.773 -8.943 1
1 227 . 18 1 1 A 23 23 CYS H H 646 8.137 8.760 -0.623 1
1 228 . 18 1 1 A 23 23 CYS CA C 646 56.600 58.352 -1.752 1
1 229 . 18 1 1 A 23 23 CYS HA H 646 5.813 6.162 -0.349 1
1 230 . 18 1 1 A 23 23 CYS CB C 646 30.951 29.028 1.923 1
1 233 . 18 1 1 A 24 24 PHE N N 647 116.053 120.875 -4.822 1
1 234 . 18 1 1 A 24 24 PHE H H 647 9.011 8.838 0.173 1
1 235 . 18 1 1 A 24 24 PHE CA C 647 56.827 56.892 -0.065 1
1 236 . 18 1 1 A 24 24 PHE HA H 647 5.910 4.859 1.051 1
1 237 . 18 1 1 A 24 24 PHE CB C 647 44.608 43.088 1.520 1
1 246 . 18 1 1 A 25 25 HIS N N 648 120.957 121.881 -0.924 1
1 247 . 18 1 1 A 25 25 HIS H H 648 8.427 9.096 -0.669 1
1 248 . 18 1 1 A 25 25 HIS CA C 648 58.971 57.031 1.940 1
1 249 . 18 1 1 A 25 25 HIS HA H 648 4.929 4.384 0.545 1
1 250 . 18 1 1 A 25 25 HIS CB C 648 31.178 29.838 1.340 1
1 257 . 18 1 1 A 26 26 LEU N N 649 123.176 117.159 6.017 1
1 258 . 18 1 1 A 26 26 LEU H H 649 9.369 8.032 1.337 1
1 259 . 18 1 1 A 26 26 LEU CA C 649 59.646 57.635 2.011 1
1 260 . 18 1 1 A 26 26 LEU HA H 649 3.829 3.780 0.049 1
1 261 . 18 1 1 A 26 26 LEU CB C 649 39.426 40.214 -0.788 1
1 274 . 18 1 1 A 27 27 ASP N N 650 109.058 119.849 -10.791 1
1 275 . 18 1 1 A 27 27 ASP H H 650 8.326 9.074 -0.748 1
1 276 . 18 1 1 A 27 27 ASP CA C 650 53.998 57.882 -3.884 1
1 277 . 18 1 1 A 27 27 ASP HA H 650 4.739 4.412 0.327 1
1 278 . 18 1 1 A 27 27 ASP CB C 650 40.331 41.906 -1.575 1
1 280 . 18 1 1 A 28 28 CYS N N 651 117.495 115.397 2.098 1
1 281 . 18 1 1 A 28 28 CYS H H 651 7.480 8.098 -0.618 1
1 282 . 18 1 1 A 28 28 CYS CA C 651 61.534 60.523 1.011 1
1 283 . 18 1 1 A 28 28 CYS HA H 651 4.245 4.811 -0.566 1
1 284 . 18 1 1 A 28 28 CYS CB C 651 31.646 28.809 2.837 1
1 286 . 18 1 1 A 29 29 HIS N N 652 116.384 122.386 -6.002 1
1 287 . 18 1 1 A 29 29 HIS H H 652 6.894 7.921 -1.027 1
1 288 . 18 1 1 A 29 29 HIS CA C 652 59.713 55.213 4.500 1
1 289 . 18 1 1 A 29 29 HIS HA H 652 3.644 4.711 -1.067 1
1 290 . 18 1 1 A 29 29 HIS CB C 652 27.909 29.427 -1.518 1
1 296 . 18 1 1 A 30 30 LEU N N 653 121.110 127.435 -6.325 1
1 297 . 18 1 1 A 30 30 LEU H H 653 4.525 8.309 -3.784 1
1 298 . 18 1 1 A 30 30 LEU CA C 653 51.439 58.679 -7.240 1
1 299 . 18 1 1 A 30 30 LEU HA H 653 4.515 3.077 1.438 1
1 300 . 18 1 1 A 30 30 LEU CB C 653 46.001 41.450 4.551 1
1 312 . 18 1 1 A 31 31 PRO CA C 654 62.964 63.569 -0.605 1
1 313 . 18 1 1 A 31 31 PRO HA H 654 4.471 4.480 -0.009 1
1 314 . 18 1 1 A 31 31 PRO CB C 654 34.045 32.434 1.611 1
1 322 . 18 1 1 A 32 32 ALA N N 655 125.871 119.427 6.444 1
1 323 . 18 1 1 A 32 32 ALA H H 655 8.766 8.253 0.513 1
1 324 . 18 1 1 A 32 32 ALA CA C 655 52.771 53.025 -0.254 1
1 325 . 18 1 1 A 32 32 ALA HA H 655 4.349 4.748 -0.399 1
1 326 . 18 1 1 A 32 32 ALA CB C 655 18.177 17.914 0.263 1
1 330 . 18 1 1 A 33 33 LEU N N 656 123.348 125.822 -2.474 1
1 331 . 18 1 1 A 33 33 LEU H H 656 8.230 8.859 -0.629 1
1 332 . 18 1 1 A 33 33 LEU CA C 656 54.014 58.244 -4.230 1
1 333 . 18 1 1 A 33 33 LEU HA H 656 4.445 4.055 0.390 1
1 334 . 18 1 1 A 33 33 LEU CB C 656 43.197 42.450 0.747 1
1 347 . 18 1 1 A 34 34 GLN N N 657 119.992 116.556 3.436 1
1 348 . 18 1 1 A 34 34 GLN H H 657 8.679 7.808 0.871 1
1 349 . 18 1 1 A 34 34 GLN CA C 657 56.354 57.898 -1.544 1
1 350 . 18 1 1 A 34 34 GLN HA H 657 4.159 3.961 0.198 1
1 351 . 18 1 1 A 34 34 GLN CB C 657 29.555 26.881 2.674 1
1 359 . 18 1 1 A 35 35 ASP N N 658 115.420 115.934 -0.514 1
1 360 . 18 1 1 A 35 35 ASP H H 658 7.457 7.560 -0.103 1
1 361 . 18 1 1 A 35 35 ASP CA C 658 51.696 53.940 -2.244 1
1 362 . 18 1 1 A 35 35 ASP HA H 658 4.626 4.899 -0.273 1
1 363 . 18 1 1 A 35 35 ASP CB C 658 43.431 42.980 0.451 1
1 366 . 18 1 1 A 36 36 VAL N N 659 122.099 121.085 1.014 1
1 367 . 18 1 1 A 36 36 VAL H H 659 8.624 8.532 0.092 1
1 368 . 18 1 1 A 36 36 VAL CA C 659 60.994 61.241 -0.247 1
1 369 . 18 1 1 A 36 36 VAL HA H 659 3.752 3.871 -0.119 1
1 370 . 18 1 1 A 36 36 VAL CB C 659 32.087 31.845 0.242 1
1 380 . 18 1 1 A 37 37 PRO CA C 660 62.728 63.546 -0.818 1
1 381 . 18 1 1 A 37 37 PRO HA H 660 4.454 4.504 -0.050 1
1 382 . 18 1 1 A 37 37 PRO CB C 660 32.835 31.808 1.027 1
1 391 . 18 1 1 A 38 38 GLY N N 661 106.940 109.330 -2.390 1
1 392 . 18 1 1 A 38 38 GLY H H 661 8.189 8.315 -0.126 1
1 393 . 18 1 1 A 38 38 GLY CA C 661 44.397 46.857 -2.460 1
1 394 . 18 1 1 A 38 38 GLY HA3 H 661 3.969 3.979 -0.010 1
1 395 . 18 1 1 A 38 38 GLY HA2 H 661 4.190 3.961 0.229 1
1 396 . 18 1 1 A 39 39 GLU N N 662 117.365 120.399 -3.034 1
1 397 . 18 1 1 A 39 39 GLU H H 662 8.281 8.766 -0.485 1
1 398 . 18 1 1 A 39 39 GLU CA C 662 57.520 59.126 -1.606 1
1 399 . 18 1 1 A 39 39 GLU HA H 662 4.281 4.161 0.120 1
1 400 . 18 1 1 A 39 39 GLU CB C 662 30.013 29.509 0.504 1
1 405 . 18 1 1 A 40 40 GLU N N 663 117.986 117.687 0.299 1
1 406 . 18 1 1 A 40 40 GLU H H 663 8.697 8.170 0.527 1
1 407 . 18 1 1 A 40 40 GLU CA C 663 56.389 55.464 0.925 1
1 408 . 18 1 1 A 40 40 GLU HA H 663 4.293 4.657 -0.364 1
1 409 . 18 1 1 A 40 40 GLU CB C 663 28.787 30.469 -1.682 1
1 414 . 18 1 1 A 41 41 TRP N N 664 124.391 125.411 -1.020 1
1 415 . 18 1 1 A 41 41 TRP H H 664 7.967 8.018 -0.051 1
1 416 . 18 1 1 A 41 41 TRP CA C 664 59.934 58.343 1.591 1
1 417 . 18 1 1 A 41 41 TRP HA H 664 4.312 4.857 -0.545 1
1 418 . 18 1 1 A 41 41 TRP CB C 664 29.998 30.159 -0.161 1
1 432 . 18 1 1 A 42 42 SER N N 665 120.355 118.611 1.744 1
1 433 . 18 1 1 A 42 42 SER H H 665 6.873 7.860 -0.987 1
1 434 . 18 1 1 A 42 42 SER CA C 665 55.166 57.247 -2.081 1
1 435 . 18 1 1 A 42 42 SER HA H 665 5.259 4.863 0.396 1
1 436 . 18 1 1 A 42 42 SER CB C 665 65.990 64.556 1.434 1
1 439 . 18 1 1 A 43 43 CYS N N 666 125.642 124.964 0.678 1
1 440 . 18 1 1 A 43 43 CYS H H 666 9.271 8.043 1.228 1
1 441 . 18 1 1 A 43 43 CYS CA C 666 57.325 59.157 -1.832 1
1 442 . 18 1 1 A 43 43 CYS HA H 666 3.952 2.927 1.025 1
1 443 . 18 1 1 A 43 43 CYS CB C 666 34.022 27.288 6.734 1
1 446 . 18 1 1 A 44 44 SER N N 667 117.158 120.807 -3.649 1
1 447 . 18 1 1 A 44 44 SER H H 667 7.068 8.462 -1.394 1
1 448 . 18 1 1 A 44 44 SER CA C 667 61.353 61.929 -0.576 1
1 449 . 18 1 1 A 44 44 SER HA H 667 4.225 4.138 0.087 1
1 450 . 18 1 1 A 44 44 SER CB C 667 63.693 63.016 0.677 1
1 453 . 18 1 1 A 45 45 LEU N N 668 120.667 119.849 0.818 1
1 454 . 18 1 1 A 45 45 LEU H H 668 8.965 7.971 0.994 1
1 455 . 18 1 1 A 45 45 LEU CA C 668 57.416 56.580 0.836 1
1 456 . 18 1 1 A 45 45 LEU HA H 668 4.178 4.175 0.003 1
1 457 . 18 1 1 A 45 45 LEU CB C 668 40.611 41.586 -0.975 1
1 470 . 18 1 1 A 46 46 CYS N N 669 121.872 116.116 5.756 1
1 471 . 18 1 1 A 46 46 CYS H H 669 7.816 8.617 -0.801 1
1 472 . 18 1 1 A 46 46 CYS CA C 669 62.557 58.959 3.598 1
1 473 . 18 1 1 A 46 46 CYS HA H 669 3.969 4.573 -0.604 1
1 474 . 18 1 1 A 46 46 CYS CB C 669 30.467 30.055 0.412 1
1 477 . 18 1 1 A 47 47 HIS N N 670 119.396 119.633 -0.237 1
1 478 . 18 1 1 A 47 47 HIS H H 670 8.077 7.619 0.458 1
1 479 . 18 1 1 A 47 47 HIS CA C 670 55.625 54.831 0.794 1
1 480 . 18 1 1 A 47 47 HIS HA H 670 4.429 4.707 -0.278 1
1 481 . 18 1 1 A 47 47 HIS CB C 670 30.326 30.571 -0.245 1
1 488 . 18 1 1 A 48 48 VAL N N 671 123.528 118.145 5.383 1
1 489 . 18 1 1 A 48 48 VAL H H 671 7.978 7.616 0.362 1
1 490 . 18 1 1 A 48 48 VAL CA C 671 62.120 62.472 -0.352 1
1 491 . 18 1 1 A 48 48 VAL HA H 671 3.925 4.475 -0.550 1
1 492 . 18 1 1 A 48 48 VAL CB C 671 32.396 32.251 0.145 1
1 502 . 18 1 1 A 49 49 LEU N N 672 126.622 126.141 0.481 1
1 503 . 18 1 1 A 49 49 LEU H H 672 8.139 8.305 -0.166 1
1 504 . 18 1 1 A 49 49 LEU CA C 672 52.859 51.626 1.233 1
1 505 . 18 1 1 A 49 49 LEU HA H 672 4.475 4.749 -0.274 1
1 506 . 18 1 1 A 49 49 LEU CB C 672 41.536 45.036 -3.500 1
1 518 . 18 1 1 A 50 50 PRO CA C 673 62.715 64.517 -1.802 1
1 519 . 18 1 1 A 50 50 PRO HA H 673 4.386 4.479 -0.093 1
1 520 . 18 1 1 A 50 50 PRO CB C 673 32.093 31.852 0.241 1
1 528 . 18 1 1 A 51 51 ASP N N 674 120.540 119.286 1.254 1
1 529 . 18 1 1 A 51 51 ASP H H 674 8.307 8.596 -0.289 1
1 530 . 18 1 1 A 51 51 ASP CA C 674 54.202 53.264 0.938 1
1 531 . 18 1 1 A 51 51 ASP HA H 674 4.564 4.901 -0.337 1
1 532 . 18 1 1 A 51 51 ASP CB C 674 41.030 43.406 -2.376 1
1 535 . 18 1 1 A 52 52 LEU N N 675 122.987 118.351 4.636 1
1 536 . 18 1 1 A 52 52 LEU H H 675 8.053 8.203 -0.150 1
1 537 . 18 1 1 A 52 52 LEU CA C 675 54.945 55.847 -0.902 1
1 538 . 18 1 1 A 52 52 LEU HA H 675 4.364 3.918 0.446 1
1 539 . 18 1 1 A 52 52 LEU CB C 675 42.436 39.789 2.647 1
1 551 . 18 1 1 A 53 53 LYS N N 676 122.061 118.357 3.704 1
1 552 . 18 1 1 A 53 53 LYS H H 676 8.340 8.143 0.197 1
1 553 . 18 1 1 A 53 53 LYS CA C 676 56.060 57.962 -1.902 1
1 554 . 18 1 1 A 53 53 LYS HA H 676 4.331 4.068 0.263 1
1 555 . 18 1 1 A 53 53 LYS CB C 676 32.363 32.343 0.020 1
1 564 . 18 1 1 A 54 54 GLU N N 677 121.909 116.239 5.670 1
1 565 . 18 1 1 A 54 54 GLU H H 677 8.403 7.937 0.466 1
1 566 . 18 1 1 A 54 54 GLU CA C 677 56.586 57.420 -0.834 1
1 567 . 18 1 1 A 54 54 GLU HA H 677 4.312 3.913 0.399 1
1 568 . 18 1 1 A 54 54 GLU CB C 677 30.221 28.114 2.107 1
1 573 . 18 1 1 A 55 55 GLU N N 678 121.528 118.937 2.591 1
1 574 . 18 1 1 A 55 55 GLU H H 678 8.486 7.832 0.654 1
1 575 . 18 1 1 A 55 55 GLU CA C 678 56.368 57.688 -1.320 1
1 576 . 18 1 1 A 55 55 GLU HA H 678 4.315 4.075 0.240 1
1 577 . 18 1 1 A 55 55 GLU CB C 678 28.896 29.748 -0.852 1
1 582 . 18 1 1 A 56 56 ASP N N 679 121.530 124.109 -2.579 1
1 583 . 18 1 1 A 56 56 ASP H H 679 8.322 8.561 -0.239 1
1 584 . 18 1 1 A 56 56 ASP CA C 679 54.252 55.146 -0.894 1
1 585 . 18 1 1 A 56 56 ASP HA H 679 4.680 4.398 0.282 1
1 586 . 18 1 1 A 56 56 ASP CB C 679 41.146 40.378 0.768 1
1 588 . 18 1 1 A 57 57 GLY N N 680 109.997 108.261 1.736 1
1 589 . 18 1 1 A 57 57 GLY H H 680 8.412 8.052 0.360 1
1 590 . 18 1 1 A 57 57 GLY CA C 680 45.247 46.328 -1.081 1
1 591 . 18 1 1 A 57 57 GLY HA2 H 680 4.020 3.943 0.077 1
1 592 . 18 1 1 A 58 58 SER N N 681 115.994 113.530 2.464 1
1 593 . 18 1 1 A 58 58 SER H H 681 8.280 7.691 0.589 1
1 594 . 18 1 1 A 58 58 SER CA C 681 58.239 57.406 0.833 1
1 595 . 18 1 1 A 58 58 SER HA H 681 3.996 4.676 -0.680 1
1 596 . 18 1 1 A 58 58 SER CB C 681 63.789 64.602 -0.813 1
1 598 . 18 1 1 A 59 59 LEU N N 682 123.362 121.411 1.951 1
1 599 . 18 1 1 A 59 59 LEU H H 682 8.164 8.109 0.055 1
1 600 . 18 1 1 A 59 59 LEU CA C 682 55.160 55.704 -0.544 1
1 601 . 18 1 1 A 59 59 LEU HA H 682 4.427 4.248 0.179 1
1 602 . 18 1 1 A 59 59 LEU CB C 682 42.473 40.782 1.691 1
1 614 . 18 1 1 A 60 60 SER N N 683 116.385 119.973 -3.588 1
1 615 . 18 1 1 A 60 60 SER H H 683 8.226 8.249 -0.023 1
1 616 . 18 1 1 A 60 60 SER CA C 683 58.004 57.537 0.467 1
1 617 . 18 1 1 A 60 60 SER HA H 683 4.517 4.729 -0.212 1
1 618 . 18 1 1 A 60 60 SER CB C 683 63.651 64.747 -1.096 1
1 620 . 18 1 1 A 61 61 LEU N N 684 124.466 119.326 5.140 1
1 621 . 18 1 1 A 61 61 LEU H H 684 8.303 8.026 0.277 1
1 622 . 18 1 1 A 61 61 LEU CA C 684 54.959 55.976 -1.017 1
1 623 . 18 1 1 A 61 61 LEU HA H 684 4.412 3.854 0.558 1
1 624 . 18 1 1 A 61 61 LEU CB C 684 41.713 40.757 0.956 1
1 635 . 18 1 1 A 62 62 ASP N N 685 120.536 118.271 2.265 1
1 636 . 18 1 1 A 62 62 ASP H H 685 8.267 8.038 0.229 1
1 637 . 18 1 1 A 62 62 ASP CA C 685 54.276 55.557 -1.281 1
1 638 . 18 1 1 A 62 62 ASP HA H 685 4.680 4.477 0.203 1
1 639 . 18 1 1 A 62 62 ASP CB C 685 41.125 40.654 0.471 1
1 642 . 18 1 1 A 63 63 GLY N N 686 109.373 112.060 -2.687 1
1 643 . 18 1 1 A 63 63 GLY H H 686 8.277 8.723 -0.446 1
1 644 . 18 1 1 A 63 63 GLY CA C 686 45.297 47.187 -1.890 1
1 645 . 18 1 1 A 63 63 GLY HA2 H 686 3.992 3.849 0.143 1
1 646 . 18 1 1 A 64 64 ALA N N 687 123.584 123.623 -0.039 1
1 647 . 18 1 1 A 64 64 ALA H H 687 8.129 7.709 0.420 1
1 648 . 18 1 1 A 64 64 ALA CA C 687 52.637 52.242 0.395 1
1 649 . 18 1 1 A 64 64 ALA HA H 687 4.379 4.197 0.182 1
1 650 . 18 1 1 A 64 64 ALA CB C 687 19.122 19.972 -0.850 1
1 654 . 18 1 1 A 65 65 ASP N N 688 118.924 116.849 2.075 1
1 655 . 18 1 1 A 65 65 ASP H H 688 8.326 8.771 -0.445 1
1 656 . 18 1 1 A 65 65 ASP CA C 688 53.972 55.543 -1.571 1
1 657 . 18 1 1 A 65 65 ASP HA H 688 4.682 4.470 0.212 1
1 658 . 18 1 1 A 65 65 ASP CB C 688 41.061 39.663 1.398 1
1 660 . 18 1 1 A 66 66 SER N N 689 116.036 118.920 -2.884 1
1 661 . 18 1 1 A 66 66 SER H H 689 8.285 8.667 -0.382 1
1 662 . 18 1 1 A 66 66 SER CA C 689 58.352 58.149 0.203 1
1 663 . 18 1 1 A 66 66 SER HA H 689 4.443 4.482 -0.039 1
1 664 . 18 1 1 A 66 66 SER CB C 689 63.665 63.658 0.007 1
1 666 . 18 1 1 A 67 67 THR N N 690 115.059 113.203 1.856 1
1 667 . 18 1 1 A 67 67 THR H H 690 8.253 8.303 -0.050 1
1 668 . 18 1 1 A 67 67 THR CA C 690 62.556 65.166 -2.610 1
1 669 . 18 1 1 A 67 67 THR HA H 690 4.379 3.834 0.545 1
1 670 . 18 1 1 A 67 67 THR CB C 690 69.623 66.616 3.007 1
1 676 . 18 1 1 A 68 68 GLY N N 691 111.091 108.386 2.705 1
1 677 . 18 1 1 A 68 68 GLY H H 691 8.366 8.150 0.216 1
1 678 . 18 1 1 A 68 68 GLY CA C 691 45.297 45.191 0.106 1
1 679 . 18 1 1 A 68 68 GLY HA2 H 691 4.002 3.962 0.040 1
1 680 . 18 1 1 A 69 69 VAL N N 692 119.280 118.219 1.061 1
1 681 . 18 1 1 A 69 69 VAL H H 692 7.876 8.003 -0.127 1
1 682 . 18 1 1 A 69 69 VAL CA C 692 62.068 62.914 -0.846 1
1 683 . 18 1 1 A 69 69 VAL HA H 692 4.176 3.842 0.334 1
1 684 . 18 1 1 A 69 69 VAL CB C 692 32.322 30.138 2.184 1
1 690 . 18 1 1 A 70 70 VAL N N 693 123.601 123.373 0.228 1
1 691 . 18 1 1 A 70 70 VAL H H 693 8.102 7.916 0.186 1
1 692 . 18 1 1 A 70 70 VAL CA C 693 61.886 61.532 0.354 1
1 693 . 18 1 1 A 70 70 VAL HA H 693 4.150 4.137 0.013 1
1 694 . 18 1 1 A 70 70 VAL CB C 693 32.429 31.142 1.287 1
1 700 . 18 1 1 A 71 71 ALA N N 694 129.048 121.296 7.752 1
1 701 . 18 1 1 A 71 71 ALA H H 694 8.374 7.955 0.419 1
1 702 . 18 1 1 A 71 71 ALA CA C 694 52.125 53.053 -0.928 1
1 703 . 18 1 1 A 71 71 ALA HA H 694 4.454 4.037 0.417 1
1 704 . 18 1 1 A 71 71 ALA CB C 694 19.203 17.535 1.668 1
1 708 . 18 1 1 A 72 72 LYS N N 695 118.535 117.317 1.218 1
1 709 . 18 1 1 A 72 72 LYS H H 695 7.833 7.849 -0.016 1
1 710 . 18 1 1 A 72 72 LYS CA C 695 54.556 59.752 -5.196 1
1 711 . 18 1 1 A 72 72 LYS HA H 695 4.827 4.039 0.788 1
1 712 . 18 1 1 A 72 72 LYS CB C 695 35.245 32.594 2.651 1
1 722 . 18 1 1 A 73 73 LEU N N 696 121.834 120.664 1.170 1
1 723 . 18 1 1 A 73 73 LEU H H 696 8.772 7.823 0.949 1
1 724 . 18 1 1 A 73 73 LEU CA C 696 54.973 56.984 -2.011 1
1 725 . 18 1 1 A 73 73 LEU HA H 696 4.268 4.275 -0.007 1
1 726 . 18 1 1 A 73 73 LEU CB C 696 42.467 43.743 -1.276 1
1 739 . 18 1 1 A 74 74 SER N N 697 121.120 112.607 8.513 1
1 740 . 18 1 1 A 74 74 SER H H 697 8.890 7.937 0.953 1
1 741 . 18 1 1 A 74 74 SER CA C 697 56.165 57.976 -1.811 1
1 742 . 18 1 1 A 74 74 SER HA H 697 4.710 4.549 0.161 1
1 743 . 18 1 1 A 74 74 SER CB C 697 62.177 65.338 -3.161 1
1 745 . 18 1 1 A 75 75 PRO CA C 698 66.251 65.964 0.287 1
1 746 . 18 1 1 A 75 75 PRO HA H 698 4.350 4.303 0.047 1
1 747 . 18 1 1 A 75 75 PRO CB C 698 31.661 31.347 0.314 1
1 755 . 18 1 1 A 76 76 ALA N N 699 117.914 118.793 -0.879 1
1 756 . 18 1 1 A 76 76 ALA H H 699 8.458 8.108 0.350 1
1 757 . 18 1 1 A 76 76 ALA CA C 699 55.000 54.187 0.813 1
1 758 . 18 1 1 A 76 76 ALA HA H 699 4.132 4.106 0.026 1
1 759 . 18 1 1 A 76 76 ALA CB C 699 18.785 18.260 0.525 1
1 763 . 18 1 1 A 77 77 ASN N N 700 116.945 116.704 0.241 1
1 764 . 18 1 1 A 77 77 ASN H H 700 7.760 7.838 -0.078 1
1 765 . 18 1 1 A 77 77 ASN CA C 700 55.210 54.855 0.355 1
1 766 . 18 1 1 A 77 77 ASN HA H 700 4.763 4.436 0.327 1
1 767 . 18 1 1 A 77 77 ASN CB C 700 38.005 38.221 -0.216 1
1 770 . 18 1 1 A 78 78 GLN N N 701 124.719 120.335 4.384 1
1 771 . 18 1 1 A 78 78 GLN H H 701 9.480 8.209 1.271 1
1 772 . 18 1 1 A 78 78 GLN CA C 701 59.634 59.234 0.400 1
1 773 . 18 1 1 A 78 78 GLN HA H 701 3.673 4.021 -0.348 1
1 774 . 18 1 1 A 78 78 GLN CB C 701 27.114 28.653 -1.539 1
1 782 . 18 1 1 A 79 79 ARG N N 702 117.069 118.812 -1.743 1
1 783 . 18 1 1 A 79 79 ARG H H 702 7.654 8.182 -0.528 1
1 784 . 18 1 1 A 79 79 ARG CA C 702 57.561 59.755 -2.194 1
1 785 . 18 1 1 A 79 79 ARG HA H 702 4.487 3.946 0.541 1
1 786 . 18 1 1 A 79 79 ARG CB C 702 29.680 30.044 -0.364 1
1 794 . 18 1 1 A 80 80 LYS N N 703 119.251 119.062 0.189 1
1 795 . 18 1 1 A 80 80 LYS H H 703 7.636 8.433 -0.797 1
1 796 . 18 1 1 A 80 80 LYS CA C 703 60.735 59.950 0.785 1
1 797 . 18 1 1 A 80 80 LYS HA H 703 3.702 4.045 -0.343 1
1 798 . 18 1 1 A 80 80 LYS CB C 703 34.002 32.428 1.574 1
1 808 . 18 1 1 A 81 81 CYS N N 704 115.848 117.062 -1.214 1
1 809 . 18 1 1 A 81 81 CYS H H 704 8.031 8.131 -0.100 1
1 810 . 18 1 1 A 81 81 CYS CA C 704 64.823 61.940 2.883 1
1 811 . 18 1 1 A 81 81 CYS HA H 704 3.687 4.214 -0.527 1
1 812 . 18 1 1 A 81 81 CYS CB C 704 26.491 27.065 -0.574 1
1 815 . 18 1 1 A 82 82 GLU N N 705 118.931 120.713 -1.782 1
1 816 . 18 1 1 A 82 82 GLU H H 705 8.286 7.990 0.296 1
1 817 . 18 1 1 A 82 82 GLU CA C 705 59.887 59.315 0.572 1
1 818 . 18 1 1 A 82 82 GLU HA H 705 3.589 4.086 -0.497 1
1 819 . 18 1 1 A 82 82 GLU CB C 705 29.067 29.201 -0.134 1
1 825 . 18 1 1 A 83 83 ARG N N 706 119.029 119.173 -0.144 1
1 826 . 18 1 1 A 83 83 ARG H H 706 7.931 7.955 -0.024 1
1 827 . 18 1 1 A 83 83 ARG CA C 706 60.133 58.560 1.573 1
1 828 . 18 1 1 A 83 83 ARG HA H 706 3.748 4.186 -0.438 1
1 829 . 18 1 1 A 83 83 ARG CB C 706 30.197 30.242 -0.045 1
1 838 . 18 1 1 A 84 84 VAL N N 707 119.247 120.108 -0.861 1
1 839 . 18 1 1 A 84 84 VAL H H 707 7.762 8.062 -0.300 1
1 840 . 18 1 1 A 84 84 VAL CA C 707 67.133 65.763 1.370 1
1 841 . 18 1 1 A 84 84 VAL HA H 707 3.562 4.026 -0.464 1
1 842 . 18 1 1 A 84 84 VAL CB C 707 31.857 31.802 0.055 1
1 852 . 18 1 1 A 85 85 LEU N N 708 119.414 122.576 -3.162 1
1 853 . 18 1 1 A 85 85 LEU H H 708 8.844 8.826 0.018 1
1 854 . 18 1 1 A 85 85 LEU CA C 708 57.561 58.548 -0.987 1
1 855 . 18 1 1 A 85 85 LEU HA H 708 4.366 4.125 0.241 1
1 856 . 18 1 1 A 85 85 LEU CB C 708 41.320 42.264 -0.944 1
1 869 . 18 1 1 A 86 86 LEU N N 709 120.156 119.712 0.444 1
1 870 . 18 1 1 A 86 86 LEU H H 709 9.044 7.702 1.342 1
1 871 . 18 1 1 A 86 86 LEU CA C 709 57.977 58.125 -0.148 1
1 872 . 18 1 1 A 86 86 LEU HA H 709 4.382 4.089 0.293 1
1 873 . 18 1 1 A 86 86 LEU CB C 709 41.069 41.717 -0.648 1
1 886 . 18 1 1 A 87 87 ALA N N 710 121.264 121.150 0.114 1
1 887 . 18 1 1 A 87 87 ALA H H 710 8.136 8.103 0.033 1
1 888 . 18 1 1 A 87 87 ALA CA C 710 55.439 55.770 -0.331 1
1 889 . 18 1 1 A 87 87 ALA HA H 710 4.217 4.530 -0.313 1
1 890 . 18 1 1 A 87 87 ALA CB C 710 17.525 18.867 -1.342 1
1 894 . 18 1 1 A 88 88 LEU N N 711 117.148 118.756 -1.608 1
1 895 . 18 1 1 A 88 88 LEU H H 711 8.158 8.882 -0.724 1
1 896 . 18 1 1 A 88 88 LEU CA C 711 58.688 57.715 0.973 1
1 897 . 18 1 1 A 88 88 LEU HA H 711 4.401 3.264 1.137 1
1 898 . 18 1 1 A 88 88 LEU CB C 711 41.534 42.011 -0.477 1
1 911 . 18 1 1 A 89 89 PHE N N 712 117.048 117.773 -0.725 1
1 912 . 18 1 1 A 89 89 PHE H H 712 8.536 9.377 -0.841 1
1 913 . 18 1 1 A 89 89 PHE CA C 712 62.732 61.370 1.362 1
1 914 . 18 1 1 A 89 89 PHE HA H 712 3.971 5.233 -1.262 1
1 915 . 18 1 1 A 89 89 PHE CB C 712 40.351 39.511 0.840 1
1 922 . 18 1 1 A 90 90 CYS N N 713 111.682 116.996 -5.314 1
1 923 . 18 1 1 A 90 90 CYS H H 713 7.689 9.011 -1.322 1
1 924 . 18 1 1 A 90 90 CYS CA C 713 60.573 61.989 -1.416 1
1 925 . 18 1 1 A 90 90 CYS HA H 713 4.614 4.163 0.451 1
1 926 . 18 1 1 A 90 90 CYS CB C 713 28.820 27.577 1.243 1
1 929 . 18 1 1 A 91 91 HIS N N 714 123.036 117.280 5.756 1
1 930 . 18 1 1 A 91 91 HIS H H 714 7.517 7.741 -0.224 1
1 931 . 18 1 1 A 91 91 HIS CA C 714 54.945 54.557 0.388 1
1 932 . 18 1 1 A 91 91 HIS HA H 714 4.939 4.510 0.429 1
1 933 . 18 1 1 A 91 91 HIS CB C 714 31.433 31.684 -0.251 1
1 940 . 18 1 1 A 92 92 GLU CA C 715 61.506 60.426 1.080 1
1 941 . 18 1 1 A 92 92 GLU HA H 715 4.052 3.984 0.068 1
1 942 . 18 1 1 A 92 92 GLU CB C 715 26.765 29.861 -3.096 1
1 947 . 18 1 1 A 93 93 PRO CA C 716 65.272 66.438 -1.166 1
1 948 . 18 1 1 A 93 93 PRO HA H 716 4.294 4.666 -0.372 1
1 949 . 18 1 1 A 93 93 PRO CB C 716 31.486 31.350 0.136 1
1 958 . 18 1 1 A 94 94 CYS N N 717 110.309 115.883 -5.574 1
1 959 . 18 1 1 A 94 94 CYS H H 717 7.667 8.499 -0.832 1
1 960 . 18 1 1 A 94 94 CYS CA C 717 58.484 62.171 -3.687 1
1 961 . 18 1 1 A 94 94 CYS HA H 717 4.406 4.133 0.273 1
1 962 . 18 1 1 A 94 94 CYS CB C 717 28.612 27.273 1.339 1
1 965 . 18 1 1 A 95 95 ARG N N 718 122.655 120.389 2.266 1
1 966 . 18 1 1 A 95 95 ARG H H 718 7.928 8.243 -0.315 1
1 967 . 18 1 1 A 95 95 ARG CA C 718 60.829 60.749 0.080 1
1 968 . 18 1 1 A 95 95 ARG HA H 718 3.740 3.602 0.138 1
1 969 . 18 1 1 A 95 95 ARG CB C 718 28.131 29.045 -0.914 1
1 977 . 18 1 1 A 96 96 PRO CA C 719 65.328 66.064 -0.736 1
1 978 . 18 1 1 A 96 96 PRO HA H 719 4.456 4.312 0.144 1
1 979 . 18 1 1 A 96 96 PRO CB C 719 31.665 30.883 0.782 1
1 987 . 18 1 1 A 97 97 LEU N N 720 112.429 117.369 -4.940 1
1 988 . 18 1 1 A 97 97 LEU H H 720 7.720 7.057 0.663 1
1 989 . 18 1 1 A 97 97 LEU CA C 720 54.707 56.854 -2.147 1
1 990 . 18 1 1 A 97 97 LEU HA H 720 4.228 3.171 1.057 1
1 991 . 18 1 1 A 97 97 LEU CB C 720 40.391 41.018 -0.627 1
1 1004 . 18 1 1 A 98 98 HIS N N 721 118.891 116.069 2.822 1
1 1005 . 18 1 1 A 98 98 HIS H H 721 7.964 8.460 -0.496 1
1 1006 . 18 1 1 A 98 98 HIS CA C 721 60.901 58.212 2.689 1
1 1007 . 18 1 1 A 98 98 HIS HA H 721 4.190 4.150 0.040 1
1 1008 . 18 1 1 A 98 98 HIS CB C 721 31.678 29.343 2.335 1
1 1015 . 18 1 1 A 99 99 GLN N N 722 116.787 116.159 0.628 1
1 1016 . 18 1 1 A 99 99 GLN H H 722 8.090 7.571 0.519 1
1 1017 . 18 1 1 A 99 99 GLN CA C 722 55.180 54.666 0.514 1
1 1018 . 18 1 1 A 99 99 GLN HA H 722 4.808 4.551 0.257 1
1 1019 . 18 1 1 A 99 99 GLN CB C 722 30.690 30.309 0.381 1
1 1024 . 18 1 1 A 100 100 LEU H H 723 9.277 8.666 0.611 1
1 1025 . 18 1 1 A 100 100 LEU CA C 723 55.397 55.883 -0.486 1
1 1026 . 18 1 1 A 100 100 LEU HA H 723 4.566 4.563 0.003 1
1 1027 . 18 1 1 A 100 100 LEU CB C 723 43.862 44.751 -0.889 1
1 1040 . 18 1 1 A 101 101 ALA N N 724 123.211 122.548 0.663 1
1 1041 . 18 1 1 A 101 101 ALA H H 724 8.577 8.027 0.550 1
1 1042 . 18 1 1 A 101 101 ALA CA C 724 52.591 54.577 -1.986 1
1 1043 . 18 1 1 A 101 101 ALA HA H 724 4.392 4.154 0.238 1
1 1044 . 18 1 1 A 101 101 ALA CB C 724 19.262 18.941 0.321 1
1 1048 . 18 1 1 A 102 102 THR N N 725 112.189 111.452 0.737 1
1 1049 . 18 1 1 A 102 102 THR H H 725 8.069 8.270 -0.201 1
1 1050 . 18 1 1 A 102 102 THR CA C 725 61.802 62.475 -0.673 1
1 1051 . 18 1 1 A 102 102 THR HA H 725 4.366 4.263 0.103 1
1 1052 . 18 1 1 A 102 102 THR CB C 725 69.684 69.150 0.534 1
1 1058 . 18 1 1 A 103 103 ASP N N 726 121.846 123.472 -1.626 1
1 1059 . 18 1 1 A 103 103 ASP H H 726 8.195 8.046 0.149 1
1 1060 . 18 1 1 A 103 103 ASP CA C 726 54.057 57.496 -3.439 1
1 1061 . 18 1 1 A 103 103 ASP HA H 726 4.681 4.286 0.395 1
1 1062 . 18 1 1 A 103 103 ASP CB C 726 41.228 40.913 0.315 1
1 1064 . 18 1 1 A 104 104 SER N N 727 116.230 110.881 5.349 1
1 1065 . 18 1 1 A 104 104 SER H H 727 8.260 7.803 0.457 1
1 1066 . 18 1 1 A 104 104 SER CA C 727 58.945 57.128 1.817 1
1 1067 . 18 1 1 A 104 104 SER HA H 727 4.468 4.689 -0.221 1
1 1068 . 18 1 1 A 104 104 SER CB C 727 63.856 64.841 -0.985 1
1 1070 . 18 1 1 A 105 105 THR N N 728 115.362 116.224 -0.862 1
1 1071 . 18 1 1 A 105 105 THR H H 728 8.205 8.018 0.187 1
1 1072 . 18 1 1 A 105 105 THR CA C 728 62.744 64.939 -2.195 1
1 1073 . 18 1 1 A 105 105 THR HA H 728 4.238 4.133 0.105 1
1 1074 . 18 1 1 A 105 105 THR CB C 728 69.490 69.234 0.256 1
1 1080 . 18 1 1 A 106 106 PHE N N 729 121.735 115.295 6.440 1
1 1081 . 18 1 1 A 106 106 PHE H H 729 8.047 8.004 0.043 1
1 1082 . 18 1 1 A 106 106 PHE CA C 729 57.966 57.602 0.364 1
1 1083 . 18 1 1 A 106 106 PHE HA H 729 4.626 4.677 -0.051 1
1 1084 . 18 1 1 A 106 106 PHE CB C 729 39.633 40.881 -1.248 1
1 1090 . 18 1 1 A 107 107 SER N N 730 116.751 114.555 2.196 1
1 1091 . 18 1 1 A 107 107 SER H H 730 7.962 7.230 0.732 1
1 1092 . 18 1 1 A 107 107 SER CA C 730 57.921 59.012 -1.091 1
1 1093 . 18 1 1 A 107 107 SER HA H 730 4.413 3.572 0.841 1
1 1094 . 18 1 1 A 107 107 SER CB C 730 63.659 62.867 0.792 1
1 1097 . 18 1 1 A 108 108 LEU N N 731 123.373 121.360 2.013 1
1 1098 . 18 1 1 A 108 108 LEU H H 731 8.212 8.036 0.176 1
1 1099 . 18 1 1 A 108 108 LEU CA C 731 55.650 57.404 -1.754 1
1 1100 . 18 1 1 A 108 108 LEU HA H 731 4.265 4.200 0.065 1
1 1101 . 18 1 1 A 108 108 LEU CB C 731 42.257 42.028 0.229 1
1 1113 . 18 1 1 A 109 109 ASP N N 732 118.496 117.135 1.361 1
1 1114 . 18 1 1 A 109 109 ASP H H 732 8.172 7.792 0.380 1
1 1115 . 18 1 1 A 109 109 ASP CA C 732 54.239 53.330 0.909 1
1 1116 . 18 1 1 A 109 109 ASP HA H 732 4.566 4.902 -0.336 1
1 1117 . 18 1 1 A 109 109 ASP CB C 732 41.124 41.979 -0.855 1
1 1120 . 18 1 1 A 110 110 GLN N N 733 119.403 115.131 4.272 1
1 1121 . 18 1 1 A 110 110 GLN H H 733 7.707 8.100 -0.393 1
1 1122 . 18 1 1 A 110 110 GLN CA C 733 53.251 56.661 -3.410 1
1 1123 . 18 1 1 A 110 110 GLN HA H 733 4.675 4.072 0.603 1
1 1124 . 18 1 1 A 110 110 GLN CB C 733 29.061 27.616 1.445 1
1 1129 . 18 1 1 A 111 111 PRO CA C 734 63.869 63.138 0.731 1
1 1130 . 18 1 1 A 111 111 PRO HA H 734 4.435 4.434 0.001 1
1 1131 . 18 1 1 A 111 111 PRO CB C 734 31.900 30.674 1.226 1
1 1139 . 18 1 1 A 112 112 GLY N N 735 109.783 108.047 1.736 1
1 1140 . 18 1 1 A 112 112 GLY H H 735 8.510 8.063 0.447 1
1 1141 . 18 1 1 A 112 112 GLY CA C 735 44.954 45.078 -0.124 1
1 1142 . 18 1 1 A 112 112 GLY HA3 H 735 3.903 3.958 -0.055 1
1 1143 . 18 1 1 A 112 112 GLY HA2 H 735 3.994 3.953 0.041 1
1 1144 . 18 1 1 A 113 113 GLY N N 736 108.485 107.684 0.801 1
1 1145 . 18 1 1 A 113 113 GLY H H 736 8.138 8.526 -0.388 1
1 1146 . 18 1 1 A 113 113 GLY CA C 736 44.755 46.940 -2.185 1
1 1147 . 18 1 1 A 113 113 GLY HA3 H 736 3.899 3.909 -0.010 1
1 1148 . 18 1 1 A 113 113 GLY HA2 H 736 3.964 3.892 0.072 1
1 1149 . 18 1 1 A 114 114 THR N N 737 116.361 111.352 5.009 1
1 1150 . 18 1 1 A 114 114 THR H H 737 7.951 7.961 -0.010 1
1 1151 . 18 1 1 A 114 114 THR CA C 737 62.508 65.376 -2.868 1
1 1152 . 18 1 1 A 114 114 THR HA H 737 4.189 4.212 -0.023 1
1 1153 . 18 1 1 A 114 114 THR CB C 737 69.780 68.920 0.860 1
1 1159 . 18 1 1 A 115 115 LEU N N 738 125.899 120.911 4.988 1
1 1160 . 18 1 1 A 115 115 LEU H H 738 8.575 8.031 0.544 1
1 1161 . 18 1 1 A 115 115 LEU CA C 738 54.534 56.870 -2.336 1
1 1162 . 18 1 1 A 115 115 LEU HA H 738 4.452 4.207 0.245 1
1 1163 . 18 1 1 A 115 115 LEU CB C 738 45.506 40.822 4.684 1
1 1176 . 18 1 1 A 116 116 ASP N N 739 115.416 118.693 -3.277 1
1 1177 . 18 1 1 A 116 116 ASP H H 739 6.819 8.201 -1.382 1
1 1178 . 18 1 1 A 116 116 ASP CA C 739 52.606 53.459 -0.853 1
1 1179 . 18 1 1 A 116 116 ASP HA H 739 4.472 5.212 -0.740 1
1 1180 . 18 1 1 A 116 116 ASP CB C 739 42.811 43.018 -0.207 1
1 1183 . 18 1 1 A 117 117 LEU N N 740 115.281 121.347 -6.066 1
1 1184 . 18 1 1 A 117 117 LEU H H 740 8.213 8.307 -0.094 1
1 1185 . 18 1 1 A 117 117 LEU CA C 740 57.750 57.727 0.023 1
1 1186 . 18 1 1 A 117 117 LEU HA H 740 3.841 3.628 0.213 1
1 1187 . 18 1 1 A 117 117 LEU CB C 740 42.005 40.816 1.189 1
1 1200 . 18 1 1 A 118 118 THR N N 741 116.995 113.975 3.020 1
1 1201 . 18 1 1 A 118 118 THR H H 741 8.152 7.431 0.721 1
1 1202 . 18 1 1 A 118 118 THR CA C 741 68.068 65.561 2.507 1
1 1203 . 18 1 1 A 118 118 THR HA H 741 4.054 4.136 -0.082 1
1 1204 . 18 1 1 A 118 118 THR CB C 741 68.392 68.556 -0.164 1
1 1210 . 18 1 1 A 119 119 LEU N N 742 127.180 119.663 7.517 1
1 1211 . 18 1 1 A 119 119 LEU H H 742 8.804 7.714 1.090 1
1 1212 . 18 1 1 A 119 119 LEU CA C 742 58.460 57.887 0.573 1
1 1213 . 18 1 1 A 119 119 LEU HA H 742 4.214 3.948 0.266 1
1 1214 . 18 1 1 A 119 119 LEU CB C 742 42.491 41.331 1.160 1
1 1227 . 18 1 1 A 120 120 ILE N N 743 120.880 121.292 -0.412 1
1 1228 . 18 1 1 A 120 120 ILE H H 743 7.884 7.684 0.200 1
1 1229 . 18 1 1 A 120 120 ILE CA C 743 65.546 65.530 0.016 1
1 1230 . 18 1 1 A 120 120 ILE HA H 743 4.101 3.487 0.614 1
1 1231 . 18 1 1 A 120 120 ILE CB C 743 38.693 37.470 1.223 1
1 1244 . 18 1 1 A 121 121 ARG N N 744 119.772 120.609 -0.837 1
1 1245 . 18 1 1 A 121 121 ARG H H 744 8.792 8.393 0.399 1
1 1246 . 18 1 1 A 121 121 ARG CA C 744 60.369 59.578 0.791 1
1 1247 . 18 1 1 A 121 121 ARG HA H 744 3.896 3.743 0.153 1
1 1248 . 18 1 1 A 121 121 ARG CB C 744 30.241 30.161 0.080 1
1 1257 . 18 1 1 A 122 122 ALA N N 745 120.978 122.092 -1.114 1
1 1258 . 18 1 1 A 122 122 ALA H H 745 8.303 8.126 0.177 1
1 1259 . 18 1 1 A 122 122 ALA CA C 745 55.203 55.203 0.000 1
1 1260 . 18 1 1 A 122 122 ALA HA H 745 4.246 4.026 0.220 1
1 1261 . 18 1 1 A 122 122 ALA CB C 745 18.005 18.170 -0.165 1
1 1265 . 18 1 1 A 123 123 ARG N N 746 119.408 117.878 1.530 1
1 1266 . 18 1 1 A 123 123 ARG H H 746 8.224 7.832 0.392 1
1 1267 . 18 1 1 A 123 123 ARG CA C 746 59.895 59.311 0.584 1
1 1268 . 18 1 1 A 123 123 ARG HA H 746 4.335 4.057 0.278 1
1 1269 . 18 1 1 A 123 123 ARG CB C 746 29.768 30.053 -0.285 1
1 1279 . 18 1 1 A 124 124 LEU N N 747 125.115 121.374 3.741 1
1 1280 . 18 1 1 A 124 124 LEU H H 747 9.029 7.904 1.125 1
1 1281 . 18 1 1 A 124 124 LEU CA C 747 57.559 57.385 0.174 1
1 1282 . 18 1 1 A 124 124 LEU HA H 747 4.925 3.545 1.380 1
1 1283 . 18 1 1 A 124 124 LEU CB C 747 42.721 40.866 1.855 1
1 1296 . 18 1 1 A 125 125 GLN N N 748 114.117 118.049 -3.932 1
1 1297 . 18 1 1 A 125 125 GLN H H 748 8.418 8.014 0.404 1
1 1298 . 18 1 1 A 125 125 GLN CA C 748 55.664 57.246 -1.582 1
1 1299 . 18 1 1 A 125 125 GLN HA H 748 4.444 4.274 0.170 1
1 1300 . 18 1 1 A 125 125 GLN CB C 748 29.301 28.824 0.477 1
1 1309 . 18 1 1 A 126 126 GLU N N 749 113.381 115.974 -2.593 1
1 1310 . 18 1 1 A 126 126 GLU H H 749 7.978 8.172 -0.194 1
1 1311 . 18 1 1 A 126 126 GLU CA C 749 57.789 56.736 1.053 1
1 1312 . 18 1 1 A 126 126 GLU HA H 749 4.156 4.447 -0.291 1
1 1313 . 18 1 1 A 126 126 GLU CB C 749 25.906 31.592 -5.686 1
1 1318 . 18 1 1 A 127 127 LYS N N 750 116.557 120.478 -3.921 1
1 1319 . 18 1 1 A 127 127 LYS H H 750 8.538 8.072 0.466 1
1 1320 . 18 1 1 A 127 127 LYS CA C 750 56.417 59.193 -2.776 1
1 1321 . 18 1 1 A 127 127 LYS HA H 750 4.344 4.058 0.286 1
1 1322 . 18 1 1 A 127 127 LYS CB C 750 33.029 32.468 0.561 1
1 1332 . 18 1 1 A 128 128 LEU N N 751 119.986 121.840 -1.854 1
1 1333 . 18 1 1 A 128 128 LEU H H 751 6.949 7.771 -0.822 1
1 1334 . 18 1 1 A 128 128 LEU CA C 751 53.476 58.361 -4.885 1
1 1335 . 18 1 1 A 128 128 LEU HA H 751 4.532 4.066 0.466 1
1 1336 . 18 1 1 A 128 128 LEU CB C 751 45.503 42.241 3.262 1
1 1349 . 18 1 1 A 129 129 SER N N 752 118.455 111.401 7.054 1
1 1350 . 18 1 1 A 129 129 SER H H 752 8.225 8.013 0.212 1
1 1351 . 18 1 1 A 129 129 SER CA C 752 56.129 59.289 -3.160 1
1 1352 . 18 1 1 A 129 129 SER HA H 752 4.434 4.683 -0.249 1
1 1353 . 18 1 1 A 129 129 SER CB C 752 63.911 65.271 -1.360 1
1 1356 . 18 1 1 A 130 130 PRO CA C 753 61.355 61.881 -0.526 1
1 1357 . 18 1 1 A 130 130 PRO HA H 753 5.026 4.657 0.369 1
1 1358 . 18 1 1 A 130 130 PRO CB C 753 32.831 32.853 -0.022 1
1 1366 . 18 1 1 A 131 131 PRO CA C 754 62.470 62.117 0.353 1
1 1367 . 18 1 1 A 131 131 PRO HA H 754 4.651 4.761 -0.110 1
1 1368 . 18 1 1 A 131 131 PRO CB C 754 32.403 32.642 -0.239 1
1 1377 . 18 1 1 A 132 132 TYR N N 755 121.321 121.624 -0.303 1
1 1378 . 18 1 1 A 132 132 TYR H H 755 9.635 8.539 1.096 1
1 1379 . 18 1 1 A 132 132 TYR CA C 755 60.382 58.280 2.102 1
1 1380 . 18 1 1 A 132 132 TYR HA H 755 4.433 5.147 -0.714 1
1 1381 . 18 1 1 A 132 132 TYR CB C 755 38.713 38.958 -0.245 1
1 1388 . 18 1 1 A 133 133 SER N N 756 114.917 117.202 -2.285 1
1 1389 . 18 1 1 A 133 133 SER H H 756 9.343 8.594 0.749 1
1 1390 . 18 1 1 A 133 133 SER CA C 756 58.776 56.939 1.837 1
1 1391 . 18 1 1 A 133 133 SER HA H 756 4.430 4.763 -0.333 1
1 1392 . 18 1 1 A 133 133 SER CB C 756 64.839 64.233 0.606 1
1 1394 . 18 1 1 A 134 134 SER N N 757 112.021 111.146 0.875 1
1 1395 . 18 1 1 A 134 134 SER H H 757 7.500 7.116 0.384 1
1 1396 . 18 1 1 A 134 134 SER CA C 757 56.158 57.082 -0.924 1
1 1397 . 18 1 1 A 134 134 SER HA H 757 4.950 4.537 0.413 1
1 1398 . 18 1 1 A 134 134 SER CB C 757 63.906 64.802 -0.896 1
1 1401 . 18 1 1 A 135 135 PRO CA C 758 64.159 65.451 -1.292 1
1 1402 . 18 1 1 A 135 135 PRO HA H 758 4.132 4.208 -0.076 1
1 1403 . 18 1 1 A 135 135 PRO CB C 758 31.649 31.937 -0.288 1
1 1412 . 18 1 1 A 136 136 GLN N N 759 116.382 116.230 0.152 1
1 1413 . 18 1 1 A 136 136 GLN H H 759 8.067 8.440 -0.373 1
1 1414 . 18 1 1 A 136 136 GLN CA C 759 59.483 58.560 0.923 1
1 1415 . 18 1 1 A 136 136 GLN HA H 759 3.963 4.070 -0.107 1
1 1416 . 18 1 1 A 136 136 GLN CB C 759 27.414 28.157 -0.743 1
1 1425 . 18 1 1 A 137 137 GLU N N 760 121.764 119.184 2.580 1
1 1426 . 18 1 1 A 137 137 GLU H H 760 7.826 8.462 -0.636 1
1 1427 . 18 1 1 A 137 137 GLU CA C 760 59.184 58.975 0.209 1
1 1428 . 18 1 1 A 137 137 GLU HA H 760 4.063 3.975 0.088 1
1 1429 . 18 1 1 A 137 137 GLU CB C 760 30.403 29.338 1.065 1
1 1435 . 18 1 1 A 138 138 PHE N N 761 120.582 119.075 1.507 1
1 1436 . 18 1 1 A 138 138 PHE H H 761 6.900 8.237 -1.337 1
1 1437 . 18 1 1 A 138 138 PHE CA C 761 60.105 59.479 0.626 1
1 1438 . 18 1 1 A 138 138 PHE HA H 761 3.604 4.572 -0.968 1
1 1439 . 18 1 1 A 138 138 PHE CB C 761 38.271 38.331 -0.060 1
1 1448 . 18 1 1 A 139 139 ALA N N 762 120.917 124.462 -3.545 1
1 1449 . 18 1 1 A 139 139 ALA H H 762 8.399 9.219 -0.820 1
1 1450 . 18 1 1 A 139 139 ALA CA C 762 54.940 55.766 -0.826 1
1 1451 . 18 1 1 A 139 139 ALA HA H 762 3.804 4.534 -0.730 1
1 1452 . 18 1 1 A 139 139 ALA CB C 762 18.001 18.161 -0.160 1
1 1456 . 18 1 1 A 140 140 GLN N N 763 119.041 117.803 1.238 1
1 1457 . 18 1 1 A 140 140 GLN H H 763 8.436 8.369 0.067 1
1 1458 . 18 1 1 A 140 140 GLN CA C 763 58.474 58.440 0.034 1
1 1459 . 18 1 1 A 140 140 GLN HA H 763 4.056 4.116 -0.060 1
1 1460 . 18 1 1 A 140 140 GLN CB C 763 28.345 28.274 0.071 1
1 1469 . 18 1 1 A 141 141 ASP N N 764 122.985 119.449 3.536 1
1 1470 . 18 1 1 A 141 141 ASP H H 764 7.694 8.033 -0.339 1
1 1471 . 18 1 1 A 141 141 ASP CA C 764 57.087 56.440 0.647 1
1 1472 . 18 1 1 A 141 141 ASP HA H 764 4.517 4.484 0.033 1
1 1473 . 18 1 1 A 141 141 ASP CB C 764 39.897 40.380 -0.483 1
1 1476 . 18 1 1 A 142 142 VAL N N 765 119.630 121.117 -1.487 1
1 1477 . 18 1 1 A 142 142 VAL H H 765 7.431 8.087 -0.656 1
1 1478 . 18 1 1 A 142 142 VAL CA C 765 66.489 65.853 0.636 1
1 1479 . 18 1 1 A 142 142 VAL HA H 765 2.740 3.215 -0.475 1
1 1480 . 18 1 1 A 142 142 VAL CB C 765 30.729 30.818 -0.089 1
1 1490 . 18 1 1 A 143 143 GLY N N 766 104.089 107.095 -3.006 1
1 1491 . 18 1 1 A 143 143 GLY H H 766 8.089 8.102 -0.013 1
1 1492 . 18 1 1 A 143 143 GLY CA C 766 47.271 46.832 0.439 1
1 1493 . 18 1 1 A 143 143 GLY HA3 H 766 3.783 3.585 0.198 1
1 1494 . 18 1 1 A 143 143 GLY HA2 H 766 3.870 3.402 0.468 1
1 1495 . 18 1 1 A 144 144 ARG N N 767 123.406 121.637 1.769 1
1 1496 . 18 1 1 A 144 144 ARG H H 767 8.270 7.822 0.448 1
1 1497 . 18 1 1 A 144 144 ARG CA C 767 59.627 59.360 0.267 1
1 1498 . 18 1 1 A 144 144 ARG HA H 767 4.026 3.935 0.091 1
1 1499 . 18 1 1 A 144 144 ARG CB C 767 30.003 30.091 -0.088 1
1 1507 . 18 1 1 A 145 145 MET N N 768 121.310 118.592 2.718 1
1 1508 . 18 1 1 A 145 145 MET H H 768 8.053 8.619 -0.566 1
1 1509 . 18 1 1 A 145 145 MET CA C 768 58.727 58.438 0.289 1
1 1510 . 18 1 1 A 145 145 MET HA H 768 3.932 4.605 -0.673 1
1 1511 . 18 1 1 A 145 145 MET CB C 768 31.536 32.280 -0.744 1
1 1521 . 18 1 1 A 146 146 PHE N N 769 117.125 117.965 -0.840 1
1 1522 . 18 1 1 A 146 146 PHE H H 769 8.005 8.449 -0.444 1
1 1523 . 18 1 1 A 146 146 PHE CA C 769 59.441 61.634 -2.193 1
1 1524 . 18 1 1 A 146 146 PHE HA H 769 4.582 4.591 -0.009 1
1 1525 . 18 1 1 A 146 146 PHE CB C 769 37.558 38.579 -1.021 1
1 1534 . 18 1 1 A 147 147 LYS N N 770 119.226 118.051 1.175 1
1 1535 . 18 1 1 A 147 147 LYS H H 770 8.078 8.384 -0.306 1
1 1536 . 18 1 1 A 147 147 LYS CA C 770 59.479 59.803 -0.324 1
1 1537 . 18 1 1 A 147 147 LYS HA H 770 4.153 3.963 0.190 1
1 1538 . 18 1 1 A 147 147 LYS CB C 770 32.336 32.333 0.003 1
1 1547 . 18 1 1 A 148 148 GLN N N 771 118.870 117.295 1.575 1
1 1548 . 18 1 1 A 148 148 GLN H H 771 8.338 7.954 0.384 1
1 1549 . 18 1 1 A 148 148 GLN CA C 771 58.440 56.907 1.533 1
1 1550 . 18 1 1 A 148 148 GLN HA H 771 4.140 4.244 -0.104 1
1 1551 . 18 1 1 A 148 148 GLN CB C 771 28.382 29.202 -0.820 1
1 1560 . 18 1 1 A 149 149 PHE N N 772 120.162 122.539 -2.377 1
1 1561 . 18 1 1 A 149 149 PHE H H 772 8.411 8.768 -0.357 1
1 1562 . 18 1 1 A 149 149 PHE CA C 772 60.460 60.923 -0.463 1
1 1563 . 18 1 1 A 149 149 PHE HA H 772 4.433 4.093 0.340 1
1 1564 . 18 1 1 A 149 149 PHE CB C 772 39.428 39.223 0.205 1
1 1573 . 18 1 1 A 150 150 ASN N N 773 117.836 117.082 0.754 1
1 1574 . 18 1 1 A 150 150 ASN H H 773 8.279 8.329 -0.050 1
1 1575 . 18 1 1 A 150 150 ASN HA H 773 4.375 4.350 0.025 1
1 1576 . 18 1 1 A 150 150 ASN CB C 773 38.977 38.524 0.453 1
1 1582 . 18 1 1 A 151 151 LYS N N 774 118.045 118.435 -0.390 1
1 1583 . 18 1 1 A 151 151 LYS H H 774 7.648 7.718 -0.070 1
1 1584 . 18 1 1 A 151 151 LYS CA C 774 57.563 58.360 -0.797 1
1 1585 . 18 1 1 A 151 151 LYS HA H 774 4.225 4.183 0.042 1
1 1586 . 18 1 1 A 151 151 LYS CB C 774 32.333 32.760 -0.427 1
1 1595 . 18 1 1 A 152 152 LEU N N 775 119.031 120.117 -1.086 1
1 1596 . 18 1 1 A 152 152 LEU H H 775 7.825 8.073 -0.248 1
1 1597 . 18 1 1 A 152 152 LEU CA C 775 55.990 57.768 -1.778 1
1 1598 . 18 1 1 A 152 152 LEU HA H 775 4.270 4.081 0.189 1
1 1599 . 18 1 1 A 152 152 LEU CB C 775 42.487 41.774 0.713 1
1 1612 . 18 1 1 A 153 153 THR N N 776 110.107 111.477 -1.370 1
1 1613 . 18 1 1 A 153 153 THR H H 776 7.525 8.193 -0.668 1
1 1614 . 18 1 1 A 153 153 THR CA C 776 61.535 62.960 -1.425 1
1 1615 . 18 1 1 A 153 153 THR HA H 776 4.332 4.087 0.245 1
1 1616 . 18 1 1 A 153 153 THR CB C 776 69.570 66.696 2.874 1
1 1622 . 18 1 1 A 154 154 GLU N N 777 122.427 123.346 -0.919 1
1 1623 . 18 1 1 A 154 154 GLU H H 777 8.027 8.379 -0.352 1
1 1624 . 18 1 1 A 154 154 GLU CA C 777 57.720 59.074 -1.354 1
1 1625 . 18 1 1 A 154 154 GLU HA H 777 4.216 4.082 0.134 1
1 1626 . 18 1 1 A 154 154 GLU CB C 777 29.977 28.341 1.636 1
1 1631 . 18 1 1 A 155 155 ASP N N 778 119.283 118.203 1.080 1
1 1632 . 18 1 1 A 155 155 ASP H H 778 8.372 7.851 0.521 1
1 1633 . 18 1 1 A 155 155 ASP CA C 778 54.709 55.830 -1.121 1
1 1634 . 18 1 1 A 155 155 ASP HA H 778 4.602 4.601 0.001 1
1 1635 . 18 1 1 A 155 155 ASP CB C 778 40.600 41.543 -0.943 1
1 1638 . 18 1 1 A 156 156 LYS N N 779 120.684 117.750 2.934 1
1 1639 . 18 1 1 A 156 156 LYS H H 779 8.068 7.939 0.129 1
1 1640 . 18 1 1 A 156 156 LYS CA C 779 56.388 55.913 0.475 1
1 1641 . 18 1 1 A 156 156 LYS HA H 779 4.333 4.472 -0.139 1
1 1642 . 18 1 1 A 156 156 LYS CB C 779 32.814 34.047 -1.233 1
1 1651 . 18 1 1 A 157 157 ALA N N 780 123.182 120.847 2.335 1
1 1652 . 18 1 1 A 157 157 ALA H H 780 8.197 8.312 -0.115 1
1 1653 . 18 1 1 A 157 157 ALA CA C 780 52.591 51.447 1.144 1
1 1654 . 18 1 1 A 157 157 ALA HA H 780 4.337 4.615 -0.278 1
1 1655 . 18 1 1 A 157 157 ALA CB C 780 19.186 20.029 -0.843 1
1 1659 . 18 1 1 A 158 158 ASP N N 781 118.794 115.052 3.742 1
1 1660 . 18 1 1 A 158 158 ASP H H 781 8.222 7.503 0.719 1
1 1661 . 18 1 1 A 158 158 ASP CA C 781 54.003 53.786 0.217 1
1 1662 . 18 1 1 A 158 158 ASP HA H 781 4.673 4.908 -0.235 1
1 1663 . 18 1 1 A 158 158 ASP CB C 781 41.075 42.242 -1.167 1
1 1666 . 18 1 1 A 159 159 VAL N N 782 120.713 121.798 -1.085 1
1 1667 . 18 1 1 A 159 159 VAL H H 782 8.039 8.811 -0.772 1
1 1668 . 18 1 1 A 159 159 VAL CA C 782 63.898 64.710 -0.812 1
1 1669 . 18 1 1 A 159 159 VAL HA H 782 4.028 3.632 0.396 1
1 1670 . 18 1 1 A 159 159 VAL CB C 782 32.181 31.285 0.896 1
1 1680 . 18 1 1 A 160 160 GLN N N 783 120.756 121.200 -0.444 1
1 1681 . 18 1 1 A 160 160 GLN H H 783 8.370 8.096 0.274 1
1 1682 . 18 1 1 A 160 160 GLN CA C 783 57.563 57.835 -0.272 1
1 1683 . 18 1 1 A 160 160 GLN HA H 783 4.219 4.215 0.004 1
1 1684 . 18 1 1 A 160 160 GLN CB C 783 28.410 28.078 0.332 1
1 1691 . 18 1 1 A 161 161 SER N N 784 116.111 114.125 1.986 1
1 1692 . 18 1 1 A 161 161 SER H H 784 8.190 8.092 0.098 1
1 1693 . 18 1 1 A 161 161 SER CA C 784 60.089 61.115 -1.026 1
1 1694 . 18 1 1 A 161 161 SER HA H 784 4.361 4.399 -0.038 1
1 1695 . 18 1 1 A 161 161 SER CB C 784 62.955 63.272 -0.317 1
1 1698 . 18 1 1 A 162 162 ILE N N 785 122.105 121.461 0.644 1
1 1699 . 18 1 1 A 162 162 ILE H H 785 8.014 7.638 0.376 1
1 1700 . 18 1 1 A 162 162 ILE CA C 785 62.963 65.135 -2.172 1
1 1701 . 18 1 1 A 162 162 ILE HA H 785 3.986 3.369 0.617 1
1 1702 . 18 1 1 A 162 162 ILE CB C 785 37.568 37.484 0.084 1
1 1715 . 18 1 1 A 163 163 ILE N N 786 122.150 118.900 3.250 1
1 1716 . 18 1 1 A 163 163 ILE H H 786 7.913 8.690 -0.777 1
1 1717 . 18 1 1 A 163 163 ILE CA C 786 64.074 64.808 -0.734 1
1 1718 . 18 1 1 A 163 163 ILE HA H 786 3.947 3.611 0.336 1
1 1719 . 18 1 1 A 163 163 ILE CB C 786 37.561 37.444 0.117 1
1 1732 . 18 1 1 A 164 164 GLY N N 787 107.177 108.692 -1.515 1
1 1733 . 18 1 1 A 164 164 GLY H H 787 8.057 8.138 -0.081 1
1 1734 . 18 1 1 A 164 164 GLY CA C 787 46.938 47.336 -0.398 1
1 1735 . 18 1 1 A 164 164 GLY HA3 H 787 3.907 3.707 0.200 1
1 1736 . 18 1 1 A 164 164 GLY HA2 H 787 4.007 3.685 0.322 1
1 1737 . 18 1 1 A 165 165 LEU N N 788 123.590 122.180 1.410 1
1 1738 . 18 1 1 A 165 165 LEU H H 788 7.676 8.128 -0.452 1
1 1739 . 18 1 1 A 165 165 LEU CA C 788 57.738 58.014 -0.276 1
1 1740 . 18 1 1 A 165 165 LEU HA H 788 4.052 4.205 -0.153 1
1 1741 . 18 1 1 A 165 165 LEU CB C 788 40.833 41.486 -0.653 1
1 1753 . 18 1 1 A 166 166 GLN N N 789 119.114 116.035 3.079 1
1 1754 . 18 1 1 A 166 166 GLN H H 789 7.956 8.330 -0.374 1
1 1755 . 18 1 1 A 166 166 GLN CA C 789 59.445 58.901 0.544 1
1 1756 . 18 1 1 A 166 166 GLN HA H 789 3.844 3.266 0.578 1
1 1757 . 18 1 1 A 166 166 GLN CB C 789 27.826 28.092 -0.266 1
1 1765 . 18 1 1 A 167 167 ARG N N 790 118.851 119.507 -0.656 1
1 1766 . 18 1 1 A 167 167 ARG H H 790 8.387 8.110 0.277 1
1 1767 . 18 1 1 A 167 167 ARG CA C 790 58.942 59.014 -0.072 1
1 1768 . 18 1 1 A 167 167 ARG HA H 790 4.191 4.104 0.087 1
1 1769 . 18 1 1 A 167 167 ARG CB C 790 29.829 30.511 -0.682 1
1 1776 . 18 1 1 A 168 168 PHE N N 791 122.408 120.786 1.622 1
1 1777 . 18 1 1 A 168 168 PHE H H 791 8.127 8.523 -0.396 1
1 1778 . 18 1 1 A 168 168 PHE CA C 791 61.976 61.481 0.495 1
1 1779 . 18 1 1 A 168 168 PHE HA H 791 4.164 4.310 -0.146 1
1 1780 . 18 1 1 A 168 168 PHE CB C 791 38.894 39.708 -0.814 1
1 1788 . 18 1 1 A 169 169 PHE N N 792 119.223 120.821 -1.598 1
1 1789 . 18 1 1 A 169 169 PHE H H 792 8.500 9.241 -0.741 1
1 1790 . 18 1 1 A 169 169 PHE CA C 792 61.093 62.165 -1.072 1
1 1791 . 18 1 1 A 169 169 PHE HA H 792 4.053 4.448 -0.395 1
1 1792 . 18 1 1 A 169 169 PHE CB C 792 39.182 39.829 -0.647 1
1 1800 . 18 1 1 A 170 170 GLU N N 793 119.089 118.351 0.738 1
1 1801 . 18 1 1 A 170 170 GLU H H 793 8.718 8.297 0.421 1
1 1802 . 18 1 1 A 170 170 GLU CA C 793 59.843 59.341 0.502 1
1 1803 . 18 1 1 A 170 170 GLU HA H 793 3.483 3.596 -0.113 1
1 1804 . 18 1 1 A 170 170 GLU CB C 793 29.372 29.274 0.098 1
1 1810 . 18 1 1 A 171 171 THR N N 794 115.081 117.611 -2.530 1
1 1811 . 18 1 1 A 171 171 THR H H 794 8.205 7.972 0.233 1
1 1812 . 18 1 1 A 171 171 THR CA C 794 66.661 66.681 -0.020 1
1 1813 . 18 1 1 A 171 171 THR HA H 794 3.935 3.712 0.223 1
1 1814 . 18 1 1 A 171 171 THR CB C 794 68.604 68.468 0.136 1
1 1820 . 18 1 1 A 172 172 ARG N N 795 120.165 118.943 1.222 1
1 1821 . 18 1 1 A 172 172 ARG H H 795 7.776 7.903 -0.127 1
1 1822 . 18 1 1 A 172 172 ARG CA C 795 57.535 59.727 -2.192 1
1 1823 . 18 1 1 A 172 172 ARG HA H 795 4.030 3.955 0.075 1
1 1824 . 18 1 1 A 172 172 ARG CB C 795 29.886 30.019 -0.133 1
1 1828 . 18 1 1 A 173 173 MET N N 796 120.347 119.333 1.014 1
1 1829 . 18 1 1 A 173 173 MET H H 796 8.503 7.914 0.589 1
1 1830 . 18 1 1 A 173 173 MET CA C 796 57.453 58.184 -0.731 1
1 1831 . 18 1 1 A 173 173 MET HA H 796 4.383 4.157 0.226 1
1 1832 . 18 1 1 A 173 173 MET CB C 796 30.469 32.398 -1.929 1
1 1840 . 18 1 1 A 174 174 ASN N N 797 119.200 116.998 2.202 1
1 1841 . 18 1 1 A 174 174 ASN H H 797 8.351 7.639 0.712 1
1 1842 . 18 1 1 A 174 174 ASN CA C 797 55.851 55.057 0.794 1
1 1843 . 18 1 1 A 174 174 ASN HA H 797 4.510 3.923 0.587 1
1 1844 . 18 1 1 A 174 174 ASN CB C 797 38.213 38.349 -0.136 1
1 1850 . 18 1 1 A 175 175 GLU N N 798 119.589 118.840 0.749 1
1 1851 . 18 1 1 A 175 175 GLU H H 798 7.896 8.313 -0.417 1
1 1852 . 18 1 1 A 175 175 GLU CA C 798 59.033 59.356 -0.323 1
1 1853 . 18 1 1 A 175 175 GLU HA H 798 3.967 4.043 -0.076 1
1 1854 . 18 1 1 A 175 175 GLU CB C 798 29.296 29.437 -0.141 1
1 1860 . 18 1 1 A 176 176 ALA N N 799 116.937 120.592 -3.655 1
1 1861 . 18 1 1 A 176 176 ALA H H 799 8.030 7.783 0.247 1
1 1862 . 18 1 1 A 176 176 ALA CA C 799 54.179 53.537 0.642 1
1 1863 . 18 1 1 A 176 176 ALA HA H 799 4.085 4.352 -0.267 1
1 1864 . 18 1 1 A 176 176 ALA CB C 799 19.432 19.700 -0.268 1
1 1868 . 18 1 1 A 177 177 PHE N N 800 112.840 115.132 -2.292 1
1 1869 . 18 1 1 A 177 177 PHE H H 800 8.544 7.674 0.870 1
1 1870 . 18 1 1 A 177 177 PHE CA C 800 59.182 58.242 0.940 1
1 1871 . 18 1 1 A 177 177 PHE HA H 800 4.515 4.593 -0.078 1
1 1872 . 18 1 1 A 177 177 PHE CB C 800 39.642 39.139 0.503 1
1 1881 . 18 1 1 A 178 178 GLY N N 801 110.339 107.038 3.301 1
1 1882 . 18 1 1 A 178 178 GLY H H 801 7.974 7.857 0.117 1
1 1883 . 18 1 1 A 178 178 GLY CA C 801 45.607 45.431 0.176 1
1 1884 . 18 1 1 A 178 178 GLY HA3 H 801 3.988 4.113 -0.125 1
1 1885 . 18 1 1 A 178 178 GLY HA2 H 801 4.031 4.101 -0.070 1
1 1886 . 18 1 1 A 179 179 ASP N N 802 119.627 123.800 -4.173 1
1 1887 . 18 1 1 A 179 179 ASP H H 802 8.185 8.857 -0.672 1
1 1888 . 18 1 1 A 179 179 ASP CA C 802 53.949 55.348 -1.399 1
1 1889 . 18 1 1 A 179 179 ASP HA H 802 4.679 4.953 -0.274 1
1 1890 . 18 1 1 A 179 179 ASP CB C 802 41.070 43.633 -2.563 1
1 1892 . 18 1 1 A 180 180 THR N N 803 113.769 111.735 2.034 1
1 1893 . 18 1 1 A 180 180 THR H H 803 8.037 7.948 0.089 1
1 1894 . 18 1 1 A 180 180 THR CA C 803 61.885 60.548 1.337 1
1 1895 . 18 1 1 A 180 180 THR HA H 803 4.331 5.229 -0.898 1
1 1896 . 18 1 1 A 180 180 THR CB C 803 70.002 70.304 -0.302 1
1 1902 . 18 1 1 A 181 181 LYS N N 804 122.277 121.701 0.576 1
1 1903 . 18 1 1 A 181 181 LYS H H 804 8.198 8.821 -0.623 1
1 1904 . 18 1 1 A 181 181 LYS CA C 804 56.652 57.790 -1.138 1
1 1905 . 18 1 1 A 181 181 LYS HA H 804 4.151 3.951 0.200 1
1 1906 . 18 1 1 A 181 181 LYS CB C 804 32.377 30.024 2.353 1
1 1914 . 18 1 1 A 182 182 PHE N N 805 119.784 119.379 0.405 1
1 1915 . 18 1 1 A 182 182 PHE H H 805 8.206 8.331 -0.125 1
1 1916 . 18 1 1 A 182 182 PHE CA C 805 57.256 60.364 -3.108 1
1 1917 . 18 1 1 A 182 182 PHE HA H 805 4.664 4.210 0.454 1
1 1918 . 18 1 1 A 182 182 PHE CB C 805 38.774 39.399 -0.625 1
1 1927 . 18 1 1 A 183 183 SER N N 806 123.742 110.559 13.183 1
1 1928 . 18 1 1 A 183 183 SER H H 806 8.121 8.282 -0.161 1
1 1929 . 18 1 1 A 183 183 SER CA C 806 58.203 59.489 -1.286 1
1 1930 . 18 1 1 A 183 183 SER HA H 806 4.361 4.757 -0.396 1
1 1931 . 18 1 1 A 183 183 SER CB C 806 63.764 65.909 -2.145 1
1 1934 . 18 1 1 A 184 184 ALA N N 807 125.704 120.519 5.185 1
1 1935 . 18 1 1 A 184 184 ALA H H 807 8.286 7.941 0.345 1
1 1936 . 18 1 1 A 184 184 ALA CA C 807 52.574 50.409 2.165 1
1 1937 . 18 1 1 A 184 184 ALA HA H 807 4.360 4.784 -0.424 1
1 1938 . 18 1 1 A 184 184 ALA CB C 807 18.947 22.180 -3.233 1
1 1942 . 18 1 1 A 185 185 VAL N N 808 118.271 117.650 0.621 1
1 1943 . 18 1 1 A 185 185 VAL H H 808 7.958 8.529 -0.571 1
1 1944 . 18 1 1 A 185 185 VAL CA C 808 62.216 62.781 -0.565 1
1 1945 . 18 1 1 A 185 185 VAL HA H 808 4.151 4.272 -0.121 1
1 1946 . 18 1 1 A 185 185 VAL CB C 808 32.178 31.584 0.594 1
1 1952 . 18 1 1 A 186 186 LEU N N 809 125.280 119.748 5.532 1
1 1953 . 18 1 1 A 186 186 LEU H H 809 8.195 7.704 0.491 1
1 1954 . 18 1 1 A 186 186 LEU CA C 809 54.474 54.766 -0.292 1
1 1955 . 18 1 1 A 186 186 LEU HA H 809 4.430 4.433 -0.003 1
1 1956 . 18 1 1 A 186 186 LEU CB C 809 42.303 42.342 -0.039 1
1 1968 . 18 1 1 A 187 187 VAL N N 810 120.937 116.980 3.957 1
1 1969 . 18 1 1 A 187 187 VAL H H 810 7.985 7.655 0.330 1
1 1970 . 18 1 1 A 187 187 VAL CA C 810 62.004 66.009 -4.005 1
1 1971 . 18 1 1 A 187 187 VAL HA H 810 4.155 3.964 0.191 1
1 1972 . 18 1 1 A 187 187 VAL CB C 810 32.602 31.794 0.808 1
1 1979 . 18 1 1 A 188 188 GLU N N 811 126.353 121.575 4.778 1
1 1980 . 18 1 1 A 188 188 GLU H H 811 8.292 7.576 0.716 1
1 1981 . 18 1 1 A 188 188 GLU CA C 811 54.162 55.123 -0.961 1
1 1982 . 18 1 1 A 188 188 GLU HA H 811 4.609 4.480 0.129 1
1 1983 . 18 1 1 A 188 188 GLU CB C 811 29.775 29.341 0.434 1
1 1 . 19 1 1 A 2 2 ALA CA C 625 52.969 50.508 2.461 1
1 2 . 19 1 1 A 2 2 ALA HA H 625 4.493 4.730 -0.237 1
1 3 . 19 1 1 A 2 2 ALA CB C 625 19.272 21.214 -1.942 1
1 7 . 19 1 1 A 3 3 THR N N 626 113.570 117.617 -4.047 1
1 8 . 19 1 1 A 3 3 THR H H 626 8.176 9.106 -0.930 1
1 9 . 19 1 1 A 3 3 THR CA C 626 61.314 67.117 -5.803 1
1 10 . 19 1 1 A 3 3 THR HA H 626 4.298 3.894 0.404 1
1 11 . 19 1 1 A 3 3 THR CB C 626 69.270 69.118 0.152 1
1 17 . 19 1 1 A 4 4 ILE N N 627 115.272 119.520 -4.248 1
1 18 . 19 1 1 A 4 4 ILE H H 627 7.549 7.990 -0.441 1
1 19 . 19 1 1 A 4 4 ILE CA C 627 58.731 62.004 -3.273 1
1 20 . 19 1 1 A 4 4 ILE HA H 627 4.258 3.892 0.366 1
1 21 . 19 1 1 A 4 4 ILE CB C 627 42.246 35.589 6.657 1
1 34 . 19 1 1 A 5 5 CYS N N 628 124.095 125.888 -1.793 1
1 35 . 19 1 1 A 5 5 CYS H H 628 7.766 8.034 -0.268 1
1 36 . 19 1 1 A 5 5 CYS CA C 628 57.978 59.294 -1.316 1
1 37 . 19 1 1 A 5 5 CYS HA H 628 3.781 4.257 -0.476 1
1 38 . 19 1 1 A 5 5 CYS CB C 628 31.436 27.650 3.786 1
1 41 . 19 1 1 A 6 6 ARG N N 629 129.928 127.610 2.318 1
1 42 . 19 1 1 A 6 6 ARG H H 629 9.040 8.407 0.633 1
1 43 . 19 1 1 A 6 6 ARG CA C 629 57.514 59.820 -2.306 1
1 44 . 19 1 1 A 6 6 ARG HA H 629 3.900 3.962 -0.062 1
1 45 . 19 1 1 A 6 6 ARG CB C 629 30.251 29.911 0.340 1
1 54 . 19 1 1 A 7 7 VAL N N 630 118.166 119.553 -1.387 1
1 55 . 19 1 1 A 7 7 VAL H H 630 8.734 8.372 0.362 1
1 56 . 19 1 1 A 7 7 VAL CA C 630 65.770 66.984 -1.214 1
1 57 . 19 1 1 A 7 7 VAL HA H 630 4.137 3.918 0.219 1
1 58 . 19 1 1 A 7 7 VAL CB C 630 33.079 31.839 1.240 1
1 68 . 19 1 1 A 8 8 CYS N N 631 116.148 118.430 -2.282 1
1 69 . 19 1 1 A 8 8 CYS H H 631 8.143 7.830 0.313 1
1 70 . 19 1 1 A 8 8 CYS CA C 631 59.154 61.783 -2.629 1
1 71 . 19 1 1 A 8 8 CYS HA H 631 5.105 4.373 0.732 1
1 72 . 19 1 1 A 8 8 CYS CB C 631 31.184 28.040 3.144 1
1 75 . 19 1 1 A 9 9 GLN N N 632 115.248 116.814 -1.566 1
1 76 . 19 1 1 A 9 9 GLN H H 632 8.132 9.030 -0.898 1
1 77 . 19 1 1 A 9 9 GLN CA C 632 57.404 57.094 0.310 1
1 78 . 19 1 1 A 9 9 GLN HA H 632 4.068 4.102 -0.034 1
1 79 . 19 1 1 A 9 9 GLN CB C 632 26.002 26.281 -0.279 1
1 88 . 19 1 1 A 10 10 LYS N N 633 118.420 118.339 0.081 1
1 89 . 19 1 1 A 10 10 LYS H H 633 8.091 7.785 0.306 1
1 90 . 19 1 1 A 10 10 LYS CA C 633 53.835 52.976 0.859 1
1 91 . 19 1 1 A 10 10 LYS HA H 633 5.046 4.847 0.199 1
1 92 . 19 1 1 A 10 10 LYS CB C 633 33.312 33.777 -0.465 1
1 102 . 19 1 1 A 11 11 PRO CA C 634 62.136 62.669 -0.533 1
1 103 . 19 1 1 A 11 11 PRO HA H 634 5.056 4.912 0.144 1
1 104 . 19 1 1 A 11 11 PRO CB C 634 33.061 32.315 0.746 1
1 112 . 19 1 1 A 12 12 GLY N N 635 106.958 108.792 -1.834 1
1 113 . 19 1 1 A 12 12 GLY H H 635 8.475 8.020 0.455 1
1 114 . 19 1 1 A 12 12 GLY CA C 635 45.303 45.827 -0.524 1
1 115 . 19 1 1 A 12 12 GLY HA3 H 635 3.812 4.401 -0.589 1
1 116 . 19 1 1 A 12 12 GLY HA2 H 635 4.438 4.261 0.177 1
1 117 . 19 1 1 A 13 13 ASP N N 636 124.001 124.672 -0.671 1
1 118 . 19 1 1 A 13 13 ASP H H 636 8.729 8.700 0.029 1
1 119 . 19 1 1 A 13 13 ASP CA C 636 54.239 52.780 1.459 1
1 120 . 19 1 1 A 13 13 ASP HA H 636 4.656 4.729 -0.073 1
1 121 . 19 1 1 A 13 13 ASP CB C 636 39.425 39.075 0.350 1
1 124 . 19 1 1 A 14 14 LEU N N 637 121.435 121.672 -0.237 1
1 125 . 19 1 1 A 14 14 LEU H H 637 7.849 7.652 0.197 1
1 126 . 19 1 1 A 14 14 LEU CA C 637 53.306 54.757 -1.451 1
1 127 . 19 1 1 A 14 14 LEU HA H 637 4.546 4.565 -0.019 1
1 128 . 19 1 1 A 14 14 LEU CB C 637 44.117 42.061 2.056 1
1 141 . 19 1 1 A 15 15 VAL N N 638 118.100 117.141 0.959 1
1 142 . 19 1 1 A 15 15 VAL H H 638 8.703 8.354 0.349 1
1 143 . 19 1 1 A 15 15 VAL CA C 638 59.865 59.763 0.102 1
1 144 . 19 1 1 A 15 15 VAL HA H 638 4.383 4.707 -0.324 1
1 145 . 19 1 1 A 15 15 VAL CB C 638 33.305 33.388 -0.083 1
1 155 . 19 1 1 A 16 16 MET N N 639 125.271 124.639 0.632 1
1 156 . 19 1 1 A 16 16 MET H H 639 8.519 8.804 -0.285 1
1 157 . 19 1 1 A 16 16 MET CA C 639 54.122 54.581 -0.459 1
1 158 . 19 1 1 A 16 16 MET HA H 639 5.210 5.016 0.194 1
1 159 . 19 1 1 A 16 16 MET CB C 639 36.310 32.336 3.974 1
1 169 . 19 1 1 A 17 17 CYS N N 640 129.455 124.156 5.299 1
1 170 . 19 1 1 A 17 17 CYS H H 640 9.139 8.295 0.844 1
1 171 . 19 1 1 A 17 17 CYS CA C 640 59.996 60.039 -0.043 1
1 172 . 19 1 1 A 17 17 CYS HA H 640 4.658 4.258 0.400 1
1 173 . 19 1 1 A 17 17 CYS CB C 640 31.238 27.668 3.570 1
1 176 . 19 1 1 A 18 18 ASN N N 641 128.271 127.944 0.327 1
1 177 . 19 1 1 A 18 18 ASN H H 641 8.914 9.116 -0.202 1
1 178 . 19 1 1 A 18 18 ASN CA C 641 55.658 55.345 0.313 1
1 179 . 19 1 1 A 18 18 ASN HA H 641 4.584 4.428 0.156 1
1 180 . 19 1 1 A 18 18 ASN CB C 641 38.955 38.222 0.733 1
1 186 . 19 1 1 A 19 19 GLN N N 642 121.426 115.707 5.719 1
1 187 . 19 1 1 A 19 19 GLN H H 642 9.313 7.757 1.556 1
1 188 . 19 1 1 A 19 19 GLN CA C 642 57.971 56.392 1.579 1
1 189 . 19 1 1 A 19 19 GLN HA H 642 4.502 4.436 0.066 1
1 190 . 19 1 1 A 19 19 GLN CB C 642 30.466 31.369 -0.903 1
1 197 . 19 1 1 A 20 20 CYS N N 643 120.207 114.318 5.889 1
1 198 . 19 1 1 A 20 20 CYS H H 643 8.542 7.757 0.785 1
1 199 . 19 1 1 A 20 20 CYS CA C 643 59.473 57.614 1.859 1
1 200 . 19 1 1 A 20 20 CYS HA H 643 4.663 4.554 0.109 1
1 201 . 19 1 1 A 20 20 CYS CB C 643 31.889 27.514 4.375 1
1 204 . 19 1 1 A 21 21 GLU N N 644 114.113 115.525 -1.412 1
1 205 . 19 1 1 A 21 21 GLU H H 644 7.441 8.000 -0.559 1
1 206 . 19 1 1 A 21 21 GLU CA C 644 57.994 57.649 0.345 1
1 207 . 19 1 1 A 21 21 GLU HA H 644 4.285 3.897 0.388 1
1 208 . 19 1 1 A 21 21 GLU CB C 644 26.843 27.543 -0.700 1
1 214 . 19 1 1 A 22 22 PHE N N 645 120.911 116.132 4.779 1
1 215 . 19 1 1 A 22 22 PHE H H 645 8.941 7.696 1.245 1
1 216 . 19 1 1 A 22 22 PHE CA C 645 57.356 55.763 1.593 1
1 217 . 19 1 1 A 22 22 PHE HA H 645 4.777 4.731 0.046 1
1 218 . 19 1 1 A 22 22 PHE CB C 645 38.709 40.287 -1.578 1
1 226 . 19 1 1 A 23 23 CYS N N 646 115.830 121.455 -5.625 1
1 227 . 19 1 1 A 23 23 CYS H H 646 8.137 8.832 -0.695 1
1 228 . 19 1 1 A 23 23 CYS CA C 646 56.600 58.551 -1.951 1
1 229 . 19 1 1 A 23 23 CYS HA H 646 5.813 6.237 -0.424 1
1 230 . 19 1 1 A 23 23 CYS CB C 646 30.951 29.162 1.789 1
1 233 . 19 1 1 A 24 24 PHE N N 647 116.053 119.752 -3.699 1
1 234 . 19 1 1 A 24 24 PHE H H 647 9.011 8.292 0.719 1
1 235 . 19 1 1 A 24 24 PHE CA C 647 56.827 56.908 -0.081 1
1 236 . 19 1 1 A 24 24 PHE HA H 647 5.910 4.986 0.924 1
1 237 . 19 1 1 A 24 24 PHE CB C 647 44.608 43.466 1.142 1
1 246 . 19 1 1 A 25 25 HIS N N 648 120.957 122.615 -1.658 1
1 247 . 19 1 1 A 25 25 HIS H H 648 8.427 8.772 -0.345 1
1 248 . 19 1 1 A 25 25 HIS CA C 648 58.971 56.149 2.822 1
1 249 . 19 1 1 A 25 25 HIS HA H 648 4.929 4.620 0.309 1
1 250 . 19 1 1 A 25 25 HIS CB C 648 31.178 29.584 1.594 1
1 257 . 19 1 1 A 26 26 LEU N N 649 123.176 117.042 6.134 1
1 258 . 19 1 1 A 26 26 LEU H H 649 9.369 8.396 0.973 1
1 259 . 19 1 1 A 26 26 LEU CA C 649 59.646 57.676 1.970 1
1 260 . 19 1 1 A 26 26 LEU HA H 649 3.829 3.732 0.097 1
1 261 . 19 1 1 A 26 26 LEU CB C 649 39.426 40.408 -0.982 1
1 274 . 19 1 1 A 27 27 ASP N N 650 109.058 119.715 -10.657 1
1 275 . 19 1 1 A 27 27 ASP H H 650 8.326 9.776 -1.450 1
1 276 . 19 1 1 A 27 27 ASP CA C 650 53.998 58.111 -4.113 1
1 277 . 19 1 1 A 27 27 ASP HA H 650 4.739 4.366 0.373 1
1 278 . 19 1 1 A 27 27 ASP CB C 650 40.331 42.017 -1.686 1
1 280 . 19 1 1 A 28 28 CYS N N 651 117.495 118.123 -0.628 1
1 281 . 19 1 1 A 28 28 CYS H H 651 7.480 8.358 -0.878 1
1 282 . 19 1 1 A 28 28 CYS CA C 651 61.534 61.624 -0.090 1
1 283 . 19 1 1 A 28 28 CYS HA H 651 4.245 4.745 -0.500 1
1 284 . 19 1 1 A 28 28 CYS CB C 651 31.646 27.166 4.480 1
1 286 . 19 1 1 A 29 29 HIS N N 652 116.384 121.838 -5.454 1
1 287 . 19 1 1 A 29 29 HIS H H 652 6.894 8.228 -1.334 1
1 288 . 19 1 1 A 29 29 HIS CA C 652 59.713 57.874 1.839 1
1 289 . 19 1 1 A 29 29 HIS HA H 652 3.644 3.938 -0.294 1
1 290 . 19 1 1 A 29 29 HIS CB C 652 27.909 30.710 -2.801 1
1 296 . 19 1 1 A 30 30 LEU N N 653 121.110 119.709 1.401 1
1 297 . 19 1 1 A 30 30 LEU H H 653 4.525 7.279 -2.754 1
1 298 . 19 1 1 A 30 30 LEU CA C 653 51.439 56.541 -5.102 1
1 299 . 19 1 1 A 30 30 LEU HA H 653 4.515 3.654 0.861 1
1 300 . 19 1 1 A 30 30 LEU CB C 653 46.001 40.461 5.540 1
1 312 . 19 1 1 A 31 31 PRO CA C 654 62.964 63.592 -0.628 1
1 313 . 19 1 1 A 31 31 PRO HA H 654 4.471 4.325 0.146 1
1 314 . 19 1 1 A 31 31 PRO CB C 654 34.045 32.090 1.955 1
1 322 . 19 1 1 A 32 32 ALA N N 655 125.871 119.563 6.308 1
1 323 . 19 1 1 A 32 32 ALA H H 655 8.766 7.746 1.020 1
1 324 . 19 1 1 A 32 32 ALA CA C 655 52.771 53.140 -0.369 1
1 325 . 19 1 1 A 32 32 ALA HA H 655 4.349 5.304 -0.955 1
1 326 . 19 1 1 A 32 32 ALA CB C 655 18.177 17.944 0.233 1
1 330 . 19 1 1 A 33 33 LEU N N 656 123.348 126.002 -2.654 1
1 331 . 19 1 1 A 33 33 LEU H H 656 8.230 8.562 -0.332 1
1 332 . 19 1 1 A 33 33 LEU CA C 656 54.014 57.515 -3.501 1
1 333 . 19 1 1 A 33 33 LEU HA H 656 4.445 3.979 0.466 1
1 334 . 19 1 1 A 33 33 LEU CB C 656 43.197 41.869 1.328 1
1 347 . 19 1 1 A 34 34 GLN N N 657 119.992 115.103 4.889 1
1 348 . 19 1 1 A 34 34 GLN H H 657 8.679 7.792 0.887 1
1 349 . 19 1 1 A 34 34 GLN CA C 657 56.354 57.682 -1.328 1
1 350 . 19 1 1 A 34 34 GLN HA H 657 4.159 3.993 0.166 1
1 351 . 19 1 1 A 34 34 GLN CB C 657 29.555 26.741 2.814 1
1 359 . 19 1 1 A 35 35 ASP N N 658 115.420 115.744 -0.324 1
1 360 . 19 1 1 A 35 35 ASP H H 658 7.457 7.600 -0.143 1
1 361 . 19 1 1 A 35 35 ASP CA C 658 51.696 54.036 -2.340 1
1 362 . 19 1 1 A 35 35 ASP HA H 658 4.626 4.868 -0.242 1
1 363 . 19 1 1 A 35 35 ASP CB C 658 43.431 42.985 0.446 1
1 366 . 19 1 1 A 36 36 VAL N N 659 122.099 121.011 1.088 1
1 367 . 19 1 1 A 36 36 VAL H H 659 8.624 8.512 0.112 1
1 368 . 19 1 1 A 36 36 VAL CA C 659 60.994 61.159 -0.165 1
1 369 . 19 1 1 A 36 36 VAL HA H 659 3.752 3.887 -0.135 1
1 370 . 19 1 1 A 36 36 VAL CB C 659 32.087 31.547 0.540 1
1 380 . 19 1 1 A 37 37 PRO CA C 660 62.728 63.754 -1.026 1
1 381 . 19 1 1 A 37 37 PRO HA H 660 4.454 4.523 -0.069 1
1 382 . 19 1 1 A 37 37 PRO CB C 660 32.835 32.105 0.730 1
1 391 . 19 1 1 A 38 38 GLY N N 661 106.940 108.905 -1.965 1
1 392 . 19 1 1 A 38 38 GLY H H 661 8.189 8.270 -0.081 1
1 393 . 19 1 1 A 38 38 GLY CA C 661 44.397 47.044 -2.647 1
1 394 . 19 1 1 A 38 38 GLY HA3 H 661 3.969 3.912 0.057 1
1 395 . 19 1 1 A 38 38 GLY HA2 H 661 4.190 3.910 0.280 1
1 396 . 19 1 1 A 39 39 GLU N N 662 117.365 120.744 -3.379 1
1 397 . 19 1 1 A 39 39 GLU H H 662 8.281 7.884 0.397 1
1 398 . 19 1 1 A 39 39 GLU CA C 662 57.520 59.043 -1.523 1
1 399 . 19 1 1 A 39 39 GLU HA H 662 4.281 4.179 0.102 1
1 400 . 19 1 1 A 39 39 GLU CB C 662 30.013 29.896 0.117 1
1 405 . 19 1 1 A 40 40 GLU N N 663 117.986 112.432 5.554 1
1 406 . 19 1 1 A 40 40 GLU H H 663 8.697 7.345 1.352 1
1 407 . 19 1 1 A 40 40 GLU CA C 663 56.389 55.698 0.691 1
1 408 . 19 1 1 A 40 40 GLU HA H 663 4.293 4.734 -0.441 1
1 409 . 19 1 1 A 40 40 GLU CB C 663 28.787 29.452 -0.665 1
1 414 . 19 1 1 A 41 41 TRP N N 664 124.391 127.511 -3.120 1
1 415 . 19 1 1 A 41 41 TRP H H 664 7.967 9.081 -1.114 1
1 416 . 19 1 1 A 41 41 TRP CA C 664 59.934 57.809 2.125 1
1 417 . 19 1 1 A 41 41 TRP HA H 664 4.312 4.772 -0.460 1
1 418 . 19 1 1 A 41 41 TRP CB C 664 29.998 30.396 -0.398 1
1 432 . 19 1 1 A 42 42 SER N N 665 120.355 114.620 5.735 1
1 433 . 19 1 1 A 42 42 SER H H 665 6.873 7.406 -0.533 1
1 434 . 19 1 1 A 42 42 SER CA C 665 55.166 56.462 -1.296 1
1 435 . 19 1 1 A 42 42 SER HA H 665 5.259 4.654 0.605 1
1 436 . 19 1 1 A 42 42 SER CB C 665 65.990 62.852 3.138 1
1 439 . 19 1 1 A 43 43 CYS N N 666 125.642 118.665 6.977 1
1 440 . 19 1 1 A 43 43 CYS H H 666 9.271 6.856 2.415 1
1 441 . 19 1 1 A 43 43 CYS CA C 666 57.325 60.507 -3.182 1
1 442 . 19 1 1 A 43 43 CYS HA H 666 3.952 3.191 0.761 1
1 443 . 19 1 1 A 43 43 CYS CB C 666 34.022 26.007 8.015 1
1 446 . 19 1 1 A 44 44 SER N N 667 117.158 118.981 -1.823 1
1 447 . 19 1 1 A 44 44 SER H H 667 7.068 9.201 -2.133 1
1 448 . 19 1 1 A 44 44 SER CA C 667 61.353 57.920 3.433 1
1 449 . 19 1 1 A 44 44 SER HA H 667 4.225 4.717 -0.492 1
1 450 . 19 1 1 A 44 44 SER CB C 667 63.693 63.995 -0.302 1
1 453 . 19 1 1 A 45 45 LEU N N 668 120.667 118.574 2.093 1
1 454 . 19 1 1 A 45 45 LEU H H 668 8.965 7.634 1.331 1
1 455 . 19 1 1 A 45 45 LEU CA C 668 57.416 55.139 2.277 1
1 456 . 19 1 1 A 45 45 LEU HA H 668 4.178 4.417 -0.239 1
1 457 . 19 1 1 A 45 45 LEU CB C 668 40.611 42.818 -2.207 1
1 470 . 19 1 1 A 46 46 CYS N N 669 121.872 115.992 5.880 1
1 471 . 19 1 1 A 46 46 CYS H H 669 7.816 7.835 -0.019 1
1 472 . 19 1 1 A 46 46 CYS CA C 669 62.557 59.747 2.810 1
1 473 . 19 1 1 A 46 46 CYS HA H 669 3.969 4.363 -0.394 1
1 474 . 19 1 1 A 46 46 CYS CB C 669 30.467 28.454 2.013 1
1 477 . 19 1 1 A 47 47 HIS N N 670 119.396 120.173 -0.777 1
1 478 . 19 1 1 A 47 47 HIS H H 670 8.077 7.931 0.146 1
1 479 . 19 1 1 A 47 47 HIS CA C 670 55.625 55.649 -0.024 1
1 480 . 19 1 1 A 47 47 HIS HA H 670 4.429 4.582 -0.153 1
1 481 . 19 1 1 A 47 47 HIS CB C 670 30.326 29.864 0.462 1
1 488 . 19 1 1 A 48 48 VAL N N 671 123.528 120.251 3.277 1
1 489 . 19 1 1 A 48 48 VAL H H 671 7.978 8.107 -0.129 1
1 490 . 19 1 1 A 48 48 VAL CA C 671 62.120 61.330 0.790 1
1 491 . 19 1 1 A 48 48 VAL HA H 671 3.925 4.277 -0.352 1
1 492 . 19 1 1 A 48 48 VAL CB C 671 32.396 33.052 -0.656 1
1 502 . 19 1 1 A 49 49 LEU N N 672 126.622 125.099 1.523 1
1 503 . 19 1 1 A 49 49 LEU H H 672 8.139 7.343 0.796 1
1 504 . 19 1 1 A 49 49 LEU CA C 672 52.859 53.870 -1.011 1
1 505 . 19 1 1 A 49 49 LEU HA H 672 4.475 4.374 0.101 1
1 506 . 19 1 1 A 49 49 LEU CB C 672 41.536 41.594 -0.058 1
1 518 . 19 1 1 A 50 50 PRO CA C 673 62.715 65.728 -3.013 1
1 519 . 19 1 1 A 50 50 PRO HA H 673 4.386 4.251 0.135 1
1 520 . 19 1 1 A 50 50 PRO CB C 673 32.093 31.509 0.584 1
1 528 . 19 1 1 A 51 51 ASP N N 674 120.540 119.983 0.557 1
1 529 . 19 1 1 A 51 51 ASP H H 674 8.307 8.622 -0.315 1
1 530 . 19 1 1 A 51 51 ASP CA C 674 54.202 55.573 -1.371 1
1 531 . 19 1 1 A 51 51 ASP HA H 674 4.564 4.301 0.263 1
1 532 . 19 1 1 A 51 51 ASP CB C 674 41.030 40.448 0.582 1
1 535 . 19 1 1 A 52 52 LEU N N 675 122.987 122.451 0.536 1
1 536 . 19 1 1 A 52 52 LEU H H 675 8.053 7.760 0.293 1
1 537 . 19 1 1 A 52 52 LEU CA C 675 54.945 55.406 -0.461 1
1 538 . 19 1 1 A 52 52 LEU HA H 675 4.364 4.286 0.078 1
1 539 . 19 1 1 A 52 52 LEU CB C 675 42.436 42.430 0.006 1
1 551 . 19 1 1 A 53 53 LYS N N 676 122.061 122.143 -0.082 1
1 552 . 19 1 1 A 53 53 LYS H H 676 8.340 8.942 -0.602 1
1 553 . 19 1 1 A 53 53 LYS CA C 676 56.060 58.898 -2.838 1
1 554 . 19 1 1 A 53 53 LYS HA H 676 4.331 4.005 0.326 1
1 555 . 19 1 1 A 53 53 LYS CB C 676 32.363 32.266 0.097 1
1 564 . 19 1 1 A 54 54 GLU N N 677 121.909 117.568 4.341 1
1 565 . 19 1 1 A 54 54 GLU H H 677 8.403 8.041 0.362 1
1 566 . 19 1 1 A 54 54 GLU CA C 677 56.586 58.326 -1.740 1
1 567 . 19 1 1 A 54 54 GLU HA H 677 4.312 4.017 0.295 1
1 568 . 19 1 1 A 54 54 GLU CB C 677 30.221 28.056 2.165 1
1 573 . 19 1 1 A 55 55 GLU N N 678 121.528 124.325 -2.797 1
1 574 . 19 1 1 A 55 55 GLU H H 678 8.486 8.839 -0.353 1
1 575 . 19 1 1 A 55 55 GLU CA C 678 56.368 56.321 0.047 1
1 576 . 19 1 1 A 55 55 GLU HA H 678 4.315 4.398 -0.083 1
1 577 . 19 1 1 A 55 55 GLU CB C 678 28.896 29.511 -0.615 1
1 582 . 19 1 1 A 56 56 ASP N N 679 121.530 118.725 2.805 1
1 583 . 19 1 1 A 56 56 ASP H H 679 8.322 8.282 0.040 1
1 584 . 19 1 1 A 56 56 ASP CA C 679 54.252 54.891 -0.639 1
1 585 . 19 1 1 A 56 56 ASP HA H 679 4.680 4.532 0.148 1
1 586 . 19 1 1 A 56 56 ASP CB C 679 41.146 38.567 2.579 1
1 588 . 19 1 1 A 57 57 GLY N N 680 109.997 109.623 0.374 1
1 589 . 19 1 1 A 57 57 GLY H H 680 8.412 7.937 0.475 1
1 590 . 19 1 1 A 57 57 GLY CA C 680 45.247 46.750 -1.503 1
1 591 . 19 1 1 A 57 57 GLY HA2 H 680 4.020 3.942 0.078 1
1 592 . 19 1 1 A 58 58 SER N N 681 115.994 115.524 0.470 1
1 593 . 19 1 1 A 58 58 SER H H 681 8.280 7.899 0.381 1
1 594 . 19 1 1 A 58 58 SER CA C 681 58.239 57.546 0.693 1
1 595 . 19 1 1 A 58 58 SER HA H 681 3.996 4.701 -0.705 1
1 596 . 19 1 1 A 58 58 SER CB C 681 63.789 64.771 -0.982 1
1 598 . 19 1 1 A 59 59 LEU N N 682 123.362 122.356 1.006 1
1 599 . 19 1 1 A 59 59 LEU H H 682 8.164 7.465 0.699 1
1 600 . 19 1 1 A 59 59 LEU CA C 682 55.160 54.332 0.828 1
1 601 . 19 1 1 A 59 59 LEU HA H 682 4.427 4.862 -0.435 1
1 602 . 19 1 1 A 59 59 LEU CB C 682 42.473 45.346 -2.873 1
1 614 . 19 1 1 A 60 60 SER N N 683 116.385 118.703 -2.318 1
1 615 . 19 1 1 A 60 60 SER H H 683 8.226 8.702 -0.476 1
1 616 . 19 1 1 A 60 60 SER CA C 683 58.004 58.066 -0.062 1
1 617 . 19 1 1 A 60 60 SER HA H 683 4.517 4.642 -0.125 1
1 618 . 19 1 1 A 60 60 SER CB C 683 63.651 65.180 -1.529 1
1 620 . 19 1 1 A 61 61 LEU N N 684 124.466 122.221 2.245 1
1 621 . 19 1 1 A 61 61 LEU H H 684 8.303 8.219 0.084 1
1 622 . 19 1 1 A 61 61 LEU CA C 684 54.959 56.808 -1.849 1
1 623 . 19 1 1 A 61 61 LEU HA H 684 4.412 4.245 0.167 1
1 624 . 19 1 1 A 61 61 LEU CB C 684 41.713 42.137 -0.424 1
1 635 . 19 1 1 A 62 62 ASP N N 685 120.536 119.353 1.183 1
1 636 . 19 1 1 A 62 62 ASP H H 685 8.267 8.316 -0.049 1
1 637 . 19 1 1 A 62 62 ASP CA C 685 54.276 53.694 0.582 1
1 638 . 19 1 1 A 62 62 ASP HA H 685 4.680 4.864 -0.184 1
1 639 . 19 1 1 A 62 62 ASP CB C 685 41.125 42.864 -1.739 1
1 642 . 19 1 1 A 63 63 GLY N N 686 109.373 115.710 -6.337 1
1 643 . 19 1 1 A 63 63 GLY H H 686 8.277 8.872 -0.595 1
1 644 . 19 1 1 A 63 63 GLY CA C 686 45.297 46.306 -1.009 1
1 645 . 19 1 1 A 63 63 GLY HA2 H 686 3.992 3.891 0.101 1
1 646 . 19 1 1 A 64 64 ALA N N 687 123.584 124.720 -1.136 1
1 647 . 19 1 1 A 64 64 ALA H H 687 8.129 8.178 -0.049 1
1 648 . 19 1 1 A 64 64 ALA CA C 687 52.637 51.090 1.547 1
1 649 . 19 1 1 A 64 64 ALA HA H 687 4.379 5.119 -0.740 1
1 650 . 19 1 1 A 64 64 ALA CB C 687 19.122 23.270 -4.148 1
1 654 . 19 1 1 A 65 65 ASP N N 688 118.924 119.081 -0.157 1
1 655 . 19 1 1 A 65 65 ASP H H 688 8.326 8.729 -0.403 1
1 656 . 19 1 1 A 65 65 ASP CA C 688 53.972 53.109 0.863 1
1 657 . 19 1 1 A 65 65 ASP HA H 688 4.682 4.955 -0.273 1
1 658 . 19 1 1 A 65 65 ASP CB C 688 41.061 44.519 -3.458 1
1 660 . 19 1 1 A 66 66 SER N N 689 116.036 116.033 0.003 1
1 661 . 19 1 1 A 66 66 SER H H 689 8.285 8.639 -0.354 1
1 662 . 19 1 1 A 66 66 SER CA C 689 58.352 60.033 -1.681 1
1 663 . 19 1 1 A 66 66 SER HA H 689 4.443 4.084 0.359 1
1 664 . 19 1 1 A 66 66 SER CB C 689 63.665 61.972 1.693 1
1 666 . 19 1 1 A 67 67 THR N N 690 115.059 109.892 5.167 1
1 667 . 19 1 1 A 67 67 THR H H 690 8.253 8.250 0.003 1
1 668 . 19 1 1 A 67 67 THR CA C 690 62.556 60.917 1.639 1
1 669 . 19 1 1 A 67 67 THR HA H 690 4.379 4.626 -0.247 1
1 670 . 19 1 1 A 67 67 THR CB C 690 69.623 70.137 -0.514 1
1 676 . 19 1 1 A 68 68 GLY N N 691 111.091 109.247 1.844 1
1 677 . 19 1 1 A 68 68 GLY H H 691 8.366 7.454 0.912 1
1 678 . 19 1 1 A 68 68 GLY CA C 691 45.297 45.359 -0.062 1
1 679 . 19 1 1 A 68 68 GLY HA2 H 691 4.002 4.083 -0.081 1
1 680 . 19 1 1 A 69 69 VAL N N 692 119.280 117.015 2.265 1
1 681 . 19 1 1 A 69 69 VAL H H 692 7.876 8.237 -0.361 1
1 682 . 19 1 1 A 69 69 VAL CA C 692 62.068 64.937 -2.869 1
1 683 . 19 1 1 A 69 69 VAL HA H 692 4.176 3.908 0.268 1
1 684 . 19 1 1 A 69 69 VAL CB C 692 32.322 31.731 0.591 1
1 690 . 19 1 1 A 70 70 VAL N N 693 123.601 117.506 6.095 1
1 691 . 19 1 1 A 70 70 VAL H H 693 8.102 7.421 0.681 1
1 692 . 19 1 1 A 70 70 VAL CA C 693 61.886 63.259 -1.373 1
1 693 . 19 1 1 A 70 70 VAL HA H 693 4.150 4.286 -0.136 1
1 694 . 19 1 1 A 70 70 VAL CB C 693 32.429 33.984 -1.555 1
1 700 . 19 1 1 A 71 71 ALA N N 694 129.048 122.665 6.383 1
1 701 . 19 1 1 A 71 71 ALA H H 694 8.374 8.102 0.272 1
1 702 . 19 1 1 A 71 71 ALA CA C 694 52.125 53.453 -1.328 1
1 703 . 19 1 1 A 71 71 ALA HA H 694 4.454 4.094 0.360 1
1 704 . 19 1 1 A 71 71 ALA CB C 694 19.203 18.161 1.042 1
1 708 . 19 1 1 A 72 72 LYS N N 695 118.535 117.168 1.367 1
1 709 . 19 1 1 A 72 72 LYS H H 695 7.833 8.033 -0.200 1
1 710 . 19 1 1 A 72 72 LYS CA C 695 54.556 58.809 -4.253 1
1 711 . 19 1 1 A 72 72 LYS HA H 695 4.827 4.250 0.577 1
1 712 . 19 1 1 A 72 72 LYS CB C 695 35.245 32.416 2.829 1
1 722 . 19 1 1 A 73 73 LEU N N 696 121.834 119.739 2.095 1
1 723 . 19 1 1 A 73 73 LEU H H 696 8.772 7.628 1.144 1
1 724 . 19 1 1 A 73 73 LEU CA C 696 54.973 57.107 -2.134 1
1 725 . 19 1 1 A 73 73 LEU HA H 696 4.268 4.306 -0.038 1
1 726 . 19 1 1 A 73 73 LEU CB C 696 42.467 43.052 -0.585 1
1 739 . 19 1 1 A 74 74 SER N N 697 121.120 113.245 7.875 1
1 740 . 19 1 1 A 74 74 SER H H 697 8.890 7.914 0.976 1
1 741 . 19 1 1 A 74 74 SER CA C 697 56.165 57.722 -1.557 1
1 742 . 19 1 1 A 74 74 SER HA H 697 4.710 4.542 0.168 1
1 743 . 19 1 1 A 74 74 SER CB C 697 62.177 65.311 -3.134 1
1 745 . 19 1 1 A 75 75 PRO CA C 698 66.251 65.968 0.283 1
1 746 . 19 1 1 A 75 75 PRO HA H 698 4.350 4.321 0.029 1
1 747 . 19 1 1 A 75 75 PRO CB C 698 31.661 31.461 0.200 1
1 755 . 19 1 1 A 76 76 ALA N N 699 117.914 118.827 -0.913 1
1 756 . 19 1 1 A 76 76 ALA H H 699 8.458 8.110 0.348 1
1 757 . 19 1 1 A 76 76 ALA CA C 699 55.000 55.210 -0.210 1
1 758 . 19 1 1 A 76 76 ALA HA H 699 4.132 4.035 0.097 1
1 759 . 19 1 1 A 76 76 ALA CB C 699 18.785 18.281 0.504 1
1 763 . 19 1 1 A 77 77 ASN N N 700 116.945 117.534 -0.589 1
1 764 . 19 1 1 A 77 77 ASN H H 700 7.760 8.457 -0.697 1
1 765 . 19 1 1 A 77 77 ASN CA C 700 55.210 56.524 -1.314 1
1 766 . 19 1 1 A 77 77 ASN HA H 700 4.763 4.234 0.529 1
1 767 . 19 1 1 A 77 77 ASN CB C 700 38.005 37.618 0.387 1
1 770 . 19 1 1 A 78 78 GLN N N 701 124.719 119.372 5.347 1
1 771 . 19 1 1 A 78 78 GLN H H 701 9.480 8.619 0.861 1
1 772 . 19 1 1 A 78 78 GLN CA C 701 59.634 59.167 0.467 1
1 773 . 19 1 1 A 78 78 GLN HA H 701 3.673 4.280 -0.607 1
1 774 . 19 1 1 A 78 78 GLN CB C 701 27.114 28.302 -1.188 1
1 782 . 19 1 1 A 79 79 ARG N N 702 117.069 119.094 -2.025 1
1 783 . 19 1 1 A 79 79 ARG H H 702 7.654 7.826 -0.172 1
1 784 . 19 1 1 A 79 79 ARG CA C 702 57.561 59.117 -1.556 1
1 785 . 19 1 1 A 79 79 ARG HA H 702 4.487 4.003 0.484 1
1 786 . 19 1 1 A 79 79 ARG CB C 702 29.680 29.575 0.105 1
1 794 . 19 1 1 A 80 80 LYS N N 703 119.251 118.373 0.878 1
1 795 . 19 1 1 A 80 80 LYS H H 703 7.636 7.968 -0.332 1
1 796 . 19 1 1 A 80 80 LYS CA C 703 60.735 59.579 1.156 1
1 797 . 19 1 1 A 80 80 LYS HA H 703 3.702 4.118 -0.416 1
1 798 . 19 1 1 A 80 80 LYS CB C 703 34.002 32.630 1.372 1
1 808 . 19 1 1 A 81 81 CYS N N 704 115.848 118.208 -2.360 1
1 809 . 19 1 1 A 81 81 CYS H H 704 8.031 8.239 -0.208 1
1 810 . 19 1 1 A 81 81 CYS CA C 704 64.823 61.151 3.672 1
1 811 . 19 1 1 A 81 81 CYS HA H 704 3.687 4.045 -0.358 1
1 812 . 19 1 1 A 81 81 CYS CB C 704 26.491 26.590 -0.099 1
1 815 . 19 1 1 A 82 82 GLU N N 705 118.931 120.794 -1.863 1
1 816 . 19 1 1 A 82 82 GLU H H 705 8.286 7.906 0.380 1
1 817 . 19 1 1 A 82 82 GLU CA C 705 59.887 58.189 1.698 1
1 818 . 19 1 1 A 82 82 GLU HA H 705 3.589 3.958 -0.369 1
1 819 . 19 1 1 A 82 82 GLU CB C 705 29.067 29.346 -0.279 1
1 825 . 19 1 1 A 83 83 ARG N N 706 119.029 119.676 -0.647 1
1 826 . 19 1 1 A 83 83 ARG H H 706 7.931 8.103 -0.172 1
1 827 . 19 1 1 A 83 83 ARG CA C 706 60.133 58.223 1.910 1
1 828 . 19 1 1 A 83 83 ARG HA H 706 3.748 4.261 -0.513 1
1 829 . 19 1 1 A 83 83 ARG CB C 706 30.197 30.061 0.136 1
1 838 . 19 1 1 A 84 84 VAL N N 707 119.247 120.287 -1.040 1
1 839 . 19 1 1 A 84 84 VAL H H 707 7.762 7.636 0.126 1
1 840 . 19 1 1 A 84 84 VAL CA C 707 67.133 65.619 1.514 1
1 841 . 19 1 1 A 84 84 VAL HA H 707 3.562 3.971 -0.409 1
1 842 . 19 1 1 A 84 84 VAL CB C 707 31.857 32.055 -0.198 1
1 852 . 19 1 1 A 85 85 LEU N N 708 119.414 119.360 0.054 1
1 853 . 19 1 1 A 85 85 LEU H H 708 8.844 8.563 0.281 1
1 854 . 19 1 1 A 85 85 LEU CA C 708 57.561 58.432 -0.871 1
1 855 . 19 1 1 A 85 85 LEU HA H 708 4.366 4.167 0.199 1
1 856 . 19 1 1 A 85 85 LEU CB C 708 41.320 41.717 -0.397 1
1 869 . 19 1 1 A 86 86 LEU N N 709 120.156 118.132 2.024 1
1 870 . 19 1 1 A 86 86 LEU H H 709 9.044 7.722 1.322 1
1 871 . 19 1 1 A 86 86 LEU CA C 709 57.977 57.960 0.017 1
1 872 . 19 1 1 A 86 86 LEU HA H 709 4.382 3.728 0.654 1
1 873 . 19 1 1 A 86 86 LEU CB C 709 41.069 41.581 -0.512 1
1 886 . 19 1 1 A 87 87 ALA N N 710 121.264 121.298 -0.034 1
1 887 . 19 1 1 A 87 87 ALA H H 710 8.136 8.645 -0.509 1
1 888 . 19 1 1 A 87 87 ALA CA C 710 55.439 55.849 -0.410 1
1 889 . 19 1 1 A 87 87 ALA HA H 710 4.217 4.480 -0.263 1
1 890 . 19 1 1 A 87 87 ALA CB C 710 17.525 18.885 -1.360 1
1 894 . 19 1 1 A 88 88 LEU N N 711 117.148 117.960 -0.812 1
1 895 . 19 1 1 A 88 88 LEU H H 711 8.158 9.211 -1.053 1
1 896 . 19 1 1 A 88 88 LEU CA C 711 58.688 57.739 0.949 1
1 897 . 19 1 1 A 88 88 LEU HA H 711 4.401 3.378 1.023 1
1 898 . 19 1 1 A 88 88 LEU CB C 711 41.534 42.085 -0.551 1
1 911 . 19 1 1 A 89 89 PHE N N 712 117.048 117.348 -0.300 1
1 912 . 19 1 1 A 89 89 PHE H H 712 8.536 9.401 -0.865 1
1 913 . 19 1 1 A 89 89 PHE CA C 712 62.732 61.142 1.590 1
1 914 . 19 1 1 A 89 89 PHE HA H 712 3.971 5.424 -1.453 1
1 915 . 19 1 1 A 89 89 PHE CB C 712 40.351 38.974 1.377 1
1 922 . 19 1 1 A 90 90 CYS N N 713 111.682 117.374 -5.692 1
1 923 . 19 1 1 A 90 90 CYS H H 713 7.689 9.056 -1.367 1
1 924 . 19 1 1 A 90 90 CYS CA C 713 60.573 62.124 -1.551 1
1 925 . 19 1 1 A 90 90 CYS HA H 713 4.614 4.311 0.303 1
1 926 . 19 1 1 A 90 90 CYS CB C 713 28.820 27.632 1.188 1
1 929 . 19 1 1 A 91 91 HIS N N 714 123.036 117.258 5.778 1
1 930 . 19 1 1 A 91 91 HIS H H 714 7.517 7.594 -0.077 1
1 931 . 19 1 1 A 91 91 HIS CA C 714 54.945 54.769 0.176 1
1 932 . 19 1 1 A 91 91 HIS HA H 714 4.939 4.525 0.414 1
1 933 . 19 1 1 A 91 91 HIS CB C 714 31.433 31.819 -0.386 1
1 940 . 19 1 1 A 92 92 GLU CA C 715 61.506 60.404 1.102 1
1 941 . 19 1 1 A 92 92 GLU HA H 715 4.052 4.032 0.020 1
1 942 . 19 1 1 A 92 92 GLU CB C 715 26.765 29.887 -3.122 1
1 947 . 19 1 1 A 93 93 PRO CA C 716 65.272 66.669 -1.397 1
1 948 . 19 1 1 A 93 93 PRO HA H 716 4.294 4.401 -0.107 1
1 949 . 19 1 1 A 93 93 PRO CB C 716 31.486 30.879 0.607 1
1 958 . 19 1 1 A 94 94 CYS N N 717 110.309 115.575 -5.266 1
1 959 . 19 1 1 A 94 94 CYS H H 717 7.667 8.679 -1.012 1
1 960 . 19 1 1 A 94 94 CYS CA C 717 58.484 62.423 -3.939 1
1 961 . 19 1 1 A 94 94 CYS HA H 717 4.406 4.244 0.162 1
1 962 . 19 1 1 A 94 94 CYS CB C 717 28.612 27.258 1.354 1
1 965 . 19 1 1 A 95 95 ARG N N 718 122.655 120.438 2.217 1
1 966 . 19 1 1 A 95 95 ARG H H 718 7.928 8.214 -0.286 1
1 967 . 19 1 1 A 95 95 ARG CA C 718 60.829 60.535 0.294 1
1 968 . 19 1 1 A 95 95 ARG HA H 718 3.740 3.347 0.393 1
1 969 . 19 1 1 A 95 95 ARG CB C 718 28.131 29.169 -1.038 1
1 977 . 19 1 1 A 96 96 PRO CA C 719 65.328 66.496 -1.168 1
1 978 . 19 1 1 A 96 96 PRO HA H 719 4.456 4.262 0.194 1
1 979 . 19 1 1 A 96 96 PRO CB C 719 31.665 30.820 0.845 1
1 987 . 19 1 1 A 97 97 LEU N N 720 112.429 117.442 -5.013 1
1 988 . 19 1 1 A 97 97 LEU H H 720 7.720 7.116 0.604 1
1 989 . 19 1 1 A 97 97 LEU CA C 720 54.707 56.920 -2.213 1
1 990 . 19 1 1 A 97 97 LEU HA H 720 4.228 3.257 0.971 1
1 991 . 19 1 1 A 97 97 LEU CB C 720 40.391 41.014 -0.623 1
1 1004 . 19 1 1 A 98 98 HIS N N 721 118.891 116.136 2.755 1
1 1005 . 19 1 1 A 98 98 HIS H H 721 7.964 8.478 -0.514 1
1 1006 . 19 1 1 A 98 98 HIS CA C 721 60.901 58.365 2.536 1
1 1007 . 19 1 1 A 98 98 HIS HA H 721 4.190 4.181 0.009 1
1 1008 . 19 1 1 A 98 98 HIS CB C 721 31.678 29.353 2.325 1
1 1015 . 19 1 1 A 99 99 GLN N N 722 116.787 116.872 -0.085 1
1 1016 . 19 1 1 A 99 99 GLN H H 722 8.090 7.733 0.357 1
1 1017 . 19 1 1 A 99 99 GLN CA C 722 55.180 54.724 0.456 1
1 1018 . 19 1 1 A 99 99 GLN HA H 722 4.808 4.627 0.181 1
1 1019 . 19 1 1 A 99 99 GLN CB C 722 30.690 30.659 0.031 1
1 1024 . 19 1 1 A 100 100 LEU H H 723 9.277 8.521 0.756 1
1 1025 . 19 1 1 A 100 100 LEU CA C 723 55.397 55.659 -0.262 1
1 1026 . 19 1 1 A 100 100 LEU HA H 723 4.566 4.545 0.021 1
1 1027 . 19 1 1 A 100 100 LEU CB C 723 43.862 44.862 -1.000 1
1 1040 . 19 1 1 A 101 101 ALA N N 724 123.211 121.056 2.155 1
1 1041 . 19 1 1 A 101 101 ALA H H 724 8.577 7.451 1.126 1
1 1042 . 19 1 1 A 101 101 ALA CA C 724 52.591 51.498 1.093 1
1 1043 . 19 1 1 A 101 101 ALA HA H 724 4.392 4.368 0.024 1
1 1044 . 19 1 1 A 101 101 ALA CB C 724 19.262 19.995 -0.733 1
1 1048 . 19 1 1 A 102 102 THR N N 725 112.189 109.485 2.704 1
1 1049 . 19 1 1 A 102 102 THR H H 725 8.069 8.613 -0.544 1
1 1050 . 19 1 1 A 102 102 THR CA C 725 61.802 60.483 1.319 1
1 1051 . 19 1 1 A 102 102 THR HA H 725 4.366 4.741 -0.375 1
1 1052 . 19 1 1 A 102 102 THR CB C 725 69.684 68.991 0.693 1
1 1058 . 19 1 1 A 103 103 ASP N N 726 121.846 124.149 -2.303 1
1 1059 . 19 1 1 A 103 103 ASP H H 726 8.195 7.743 0.452 1
1 1060 . 19 1 1 A 103 103 ASP CA C 726 54.057 54.953 -0.896 1
1 1061 . 19 1 1 A 103 103 ASP HA H 726 4.681 4.950 -0.269 1
1 1062 . 19 1 1 A 103 103 ASP CB C 726 41.228 40.893 0.335 1
1 1064 . 19 1 1 A 104 104 SER N N 727 116.230 119.715 -3.485 1
1 1065 . 19 1 1 A 104 104 SER H H 727 8.260 9.238 -0.978 1
1 1066 . 19 1 1 A 104 104 SER CA C 727 58.945 57.389 1.556 1
1 1067 . 19 1 1 A 104 104 SER HA H 727 4.468 4.665 -0.197 1
1 1068 . 19 1 1 A 104 104 SER CB C 727 63.856 63.177 0.679 1
1 1070 . 19 1 1 A 105 105 THR N N 728 115.362 114.058 1.304 1
1 1071 . 19 1 1 A 105 105 THR H H 728 8.205 8.283 -0.078 1
1 1072 . 19 1 1 A 105 105 THR CA C 728 62.744 62.979 -0.235 1
1 1073 . 19 1 1 A 105 105 THR HA H 728 4.238 4.212 0.026 1
1 1074 . 19 1 1 A 105 105 THR CB C 728 69.490 66.463 3.027 1
1 1080 . 19 1 1 A 106 106 PHE N N 729 121.735 117.879 3.856 1
1 1081 . 19 1 1 A 106 106 PHE H H 729 8.047 8.258 -0.211 1
1 1082 . 19 1 1 A 106 106 PHE CA C 729 57.966 57.633 0.333 1
1 1083 . 19 1 1 A 106 106 PHE HA H 729 4.626 4.772 -0.146 1
1 1084 . 19 1 1 A 106 106 PHE CB C 729 39.633 41.150 -1.517 1
1 1090 . 19 1 1 A 107 107 SER N N 730 116.751 114.744 2.007 1
1 1091 . 19 1 1 A 107 107 SER H H 730 7.962 8.632 -0.670 1
1 1092 . 19 1 1 A 107 107 SER CA C 730 57.921 60.911 -2.990 1
1 1093 . 19 1 1 A 107 107 SER HA H 730 4.413 3.932 0.481 1
1 1094 . 19 1 1 A 107 107 SER CB C 730 63.659 62.906 0.753 1
1 1097 . 19 1 1 A 108 108 LEU N N 731 123.373 121.874 1.499 1
1 1098 . 19 1 1 A 108 108 LEU H H 731 8.212 7.862 0.350 1
1 1099 . 19 1 1 A 108 108 LEU CA C 731 55.650 56.501 -0.851 1
1 1100 . 19 1 1 A 108 108 LEU HA H 731 4.265 4.248 0.017 1
1 1101 . 19 1 1 A 108 108 LEU CB C 731 42.257 41.964 0.293 1
1 1113 . 19 1 1 A 109 109 ASP N N 732 118.496 118.720 -0.224 1
1 1114 . 19 1 1 A 109 109 ASP H H 732 8.172 7.902 0.270 1
1 1115 . 19 1 1 A 109 109 ASP CA C 732 54.239 52.856 1.383 1
1 1116 . 19 1 1 A 109 109 ASP HA H 732 4.566 4.887 -0.321 1
1 1117 . 19 1 1 A 109 109 ASP CB C 732 41.124 41.655 -0.531 1
1 1120 . 19 1 1 A 110 110 GLN N N 733 119.403 118.916 0.487 1
1 1121 . 19 1 1 A 110 110 GLN H H 733 7.707 8.122 -0.415 1
1 1122 . 19 1 1 A 110 110 GLN CA C 733 53.251 56.341 -3.090 1
1 1123 . 19 1 1 A 110 110 GLN HA H 733 4.675 3.808 0.867 1
1 1124 . 19 1 1 A 110 110 GLN CB C 733 29.061 27.331 1.730 1
1 1129 . 19 1 1 A 111 111 PRO CA C 734 63.869 63.575 0.294 1
1 1130 . 19 1 1 A 111 111 PRO HA H 734 4.435 4.498 -0.063 1
1 1131 . 19 1 1 A 111 111 PRO CB C 734 31.900 31.947 -0.047 1
1 1139 . 19 1 1 A 112 112 GLY N N 735 109.783 108.584 1.199 1
1 1140 . 19 1 1 A 112 112 GLY H H 735 8.510 7.966 0.544 1
1 1141 . 19 1 1 A 112 112 GLY CA C 735 44.954 45.471 -0.517 1
1 1142 . 19 1 1 A 112 112 GLY HA3 H 735 3.903 3.962 -0.059 1
1 1143 . 19 1 1 A 112 112 GLY HA2 H 735 3.994 3.946 0.048 1
1 1144 . 19 1 1 A 113 113 GLY N N 736 108.485 107.841 0.644 1
1 1145 . 19 1 1 A 113 113 GLY H H 736 8.138 7.850 0.288 1
1 1146 . 19 1 1 A 113 113 GLY CA C 736 44.755 44.140 0.615 1
1 1147 . 19 1 1 A 113 113 GLY HA3 H 736 3.899 3.902 -0.003 1
1 1148 . 19 1 1 A 113 113 GLY HA2 H 736 3.964 3.804 0.160 1
1 1149 . 19 1 1 A 114 114 THR N N 737 116.361 116.667 -0.306 1
1 1150 . 19 1 1 A 114 114 THR H H 737 7.951 8.069 -0.118 1
1 1151 . 19 1 1 A 114 114 THR CA C 737 62.508 62.436 0.072 1
1 1152 . 19 1 1 A 114 114 THR HA H 737 4.189 4.397 -0.208 1
1 1153 . 19 1 1 A 114 114 THR CB C 737 69.780 71.591 -1.811 1
1 1159 . 19 1 1 A 115 115 LEU N N 738 125.899 122.283 3.616 1
1 1160 . 19 1 1 A 115 115 LEU H H 738 8.575 7.908 0.667 1
1 1161 . 19 1 1 A 115 115 LEU CA C 738 54.534 54.748 -0.214 1
1 1162 . 19 1 1 A 115 115 LEU HA H 738 4.452 4.305 0.147 1
1 1163 . 19 1 1 A 115 115 LEU CB C 738 45.506 41.922 3.584 1
1 1176 . 19 1 1 A 116 116 ASP N N 739 115.416 116.831 -1.415 1
1 1177 . 19 1 1 A 116 116 ASP H H 739 6.819 8.355 -1.536 1
1 1178 . 19 1 1 A 116 116 ASP CA C 739 52.606 53.118 -0.512 1
1 1179 . 19 1 1 A 116 116 ASP HA H 739 4.472 4.980 -0.508 1
1 1180 . 19 1 1 A 116 116 ASP CB C 739 42.811 42.994 -0.183 1
1 1183 . 19 1 1 A 117 117 LEU N N 740 115.281 121.134 -5.853 1
1 1184 . 19 1 1 A 117 117 LEU H H 740 8.213 8.567 -0.354 1
1 1185 . 19 1 1 A 117 117 LEU CA C 740 57.750 58.141 -0.391 1
1 1186 . 19 1 1 A 117 117 LEU HA H 740 3.841 3.772 0.069 1
1 1187 . 19 1 1 A 117 117 LEU CB C 740 42.005 41.245 0.760 1
1 1200 . 19 1 1 A 118 118 THR N N 741 116.995 114.270 2.725 1
1 1201 . 19 1 1 A 118 118 THR H H 741 8.152 7.711 0.441 1
1 1202 . 19 1 1 A 118 118 THR CA C 741 68.068 67.149 0.919 1
1 1203 . 19 1 1 A 118 118 THR HA H 741 4.054 3.916 0.138 1
1 1204 . 19 1 1 A 118 118 THR CB C 741 68.392 67.870 0.522 1
1 1210 . 19 1 1 A 119 119 LEU N N 742 127.180 121.399 5.781 1
1 1211 . 19 1 1 A 119 119 LEU H H 742 8.804 8.348 0.456 1
1 1212 . 19 1 1 A 119 119 LEU CA C 742 58.460 58.566 -0.106 1
1 1213 . 19 1 1 A 119 119 LEU HA H 742 4.214 3.961 0.253 1
1 1214 . 19 1 1 A 119 119 LEU CB C 742 42.491 42.009 0.482 1
1 1227 . 19 1 1 A 120 120 ILE N N 743 120.880 119.441 1.439 1
1 1228 . 19 1 1 A 120 120 ILE H H 743 7.884 8.138 -0.254 1
1 1229 . 19 1 1 A 120 120 ILE CA C 743 65.546 65.298 0.248 1
1 1230 . 19 1 1 A 120 120 ILE HA H 743 4.101 3.560 0.541 1
1 1231 . 19 1 1 A 120 120 ILE CB C 743 38.693 37.831 0.862 1
1 1244 . 19 1 1 A 121 121 ARG N N 744 119.772 120.414 -0.642 1
1 1245 . 19 1 1 A 121 121 ARG H H 744 8.792 8.809 -0.017 1
1 1246 . 19 1 1 A 121 121 ARG CA C 744 60.369 58.537 1.832 1
1 1247 . 19 1 1 A 121 121 ARG HA H 744 3.896 4.047 -0.151 1
1 1248 . 19 1 1 A 121 121 ARG CB C 744 30.241 30.438 -0.197 1
1 1257 . 19 1 1 A 122 122 ALA N N 745 120.978 121.748 -0.770 1
1 1258 . 19 1 1 A 122 122 ALA H H 745 8.303 8.043 0.260 1
1 1259 . 19 1 1 A 122 122 ALA CA C 745 55.203 54.898 0.305 1
1 1260 . 19 1 1 A 122 122 ALA HA H 745 4.246 4.076 0.170 1
1 1261 . 19 1 1 A 122 122 ALA CB C 745 18.005 18.467 -0.462 1
1 1265 . 19 1 1 A 123 123 ARG N N 746 119.408 117.801 1.607 1
1 1266 . 19 1 1 A 123 123 ARG H H 746 8.224 7.571 0.653 1
1 1267 . 19 1 1 A 123 123 ARG CA C 746 59.895 59.125 0.770 1
1 1268 . 19 1 1 A 123 123 ARG HA H 746 4.335 3.782 0.553 1
1 1269 . 19 1 1 A 123 123 ARG CB C 746 29.768 29.549 0.219 1
1 1279 . 19 1 1 A 124 124 LEU N N 747 125.115 121.632 3.483 1
1 1280 . 19 1 1 A 124 124 LEU H H 747 9.029 8.016 1.013 1
1 1281 . 19 1 1 A 124 124 LEU CA C 747 57.559 57.209 0.350 1
1 1282 . 19 1 1 A 124 124 LEU HA H 747 4.925 3.767 1.158 1
1 1283 . 19 1 1 A 124 124 LEU CB C 747 42.721 41.662 1.059 1
1 1296 . 19 1 1 A 125 125 GLN N N 748 114.117 116.501 -2.384 1
1 1297 . 19 1 1 A 125 125 GLN H H 748 8.418 7.548 0.870 1
1 1298 . 19 1 1 A 125 125 GLN CA C 748 55.664 55.764 -0.100 1
1 1299 . 19 1 1 A 125 125 GLN HA H 748 4.444 4.252 0.192 1
1 1300 . 19 1 1 A 125 125 GLN CB C 748 29.301 29.151 0.150 1
1 1309 . 19 1 1 A 126 126 GLU N N 749 113.381 118.140 -4.759 1
1 1310 . 19 1 1 A 126 126 GLU H H 749 7.978 8.125 -0.147 1
1 1311 . 19 1 1 A 126 126 GLU CA C 749 57.789 57.784 0.005 1
1 1312 . 19 1 1 A 126 126 GLU HA H 749 4.156 4.153 0.003 1
1 1313 . 19 1 1 A 126 126 GLU CB C 749 25.906 29.456 -3.550 1
1 1318 . 19 1 1 A 127 127 LYS N N 750 116.557 120.879 -4.322 1
1 1319 . 19 1 1 A 127 127 LYS H H 750 8.538 8.351 0.187 1
1 1320 . 19 1 1 A 127 127 LYS CA C 750 56.417 59.372 -2.955 1
1 1321 . 19 1 1 A 127 127 LYS HA H 750 4.344 4.078 0.266 1
1 1322 . 19 1 1 A 127 127 LYS CB C 750 33.029 32.248 0.781 1
1 1332 . 19 1 1 A 128 128 LEU N N 751 119.986 119.668 0.318 1
1 1333 . 19 1 1 A 128 128 LEU H H 751 6.949 7.340 -0.391 1
1 1334 . 19 1 1 A 128 128 LEU CA C 751 53.476 56.763 -3.287 1
1 1335 . 19 1 1 A 128 128 LEU HA H 751 4.532 4.298 0.234 1
1 1336 . 19 1 1 A 128 128 LEU CB C 751 45.503 42.587 2.916 1
1 1349 . 19 1 1 A 129 129 SER N N 752 118.455 112.468 5.987 1
1 1350 . 19 1 1 A 129 129 SER H H 752 8.225 7.756 0.469 1
1 1351 . 19 1 1 A 129 129 SER CA C 752 56.129 56.773 -0.644 1
1 1352 . 19 1 1 A 129 129 SER HA H 752 4.434 4.695 -0.261 1
1 1353 . 19 1 1 A 129 129 SER CB C 752 63.911 64.406 -0.495 1
1 1356 . 19 1 1 A 130 130 PRO CA C 753 61.355 61.739 -0.384 1
1 1357 . 19 1 1 A 130 130 PRO HA H 753 5.026 4.646 0.380 1
1 1358 . 19 1 1 A 130 130 PRO CB C 753 32.831 32.928 -0.097 1
1 1366 . 19 1 1 A 131 131 PRO CA C 754 62.470 62.775 -0.305 1
1 1367 . 19 1 1 A 131 131 PRO HA H 754 4.651 4.586 0.065 1
1 1368 . 19 1 1 A 131 131 PRO CB C 754 32.403 32.567 -0.164 1
1 1377 . 19 1 1 A 132 132 TYR N N 755 121.321 121.276 0.045 1
1 1378 . 19 1 1 A 132 132 TYR H H 755 9.635 8.181 1.454 1
1 1379 . 19 1 1 A 132 132 TYR CA C 755 60.382 57.563 2.819 1
1 1380 . 19 1 1 A 132 132 TYR HA H 755 4.433 4.876 -0.443 1
1 1381 . 19 1 1 A 132 132 TYR CB C 755 38.713 38.816 -0.103 1
1 1388 . 19 1 1 A 133 133 SER N N 756 114.917 114.348 0.569 1
1 1389 . 19 1 1 A 133 133 SER H H 756 9.343 8.613 0.730 1
1 1390 . 19 1 1 A 133 133 SER CA C 756 58.776 57.450 1.326 1
1 1391 . 19 1 1 A 133 133 SER HA H 756 4.430 4.818 -0.388 1
1 1392 . 19 1 1 A 133 133 SER CB C 756 64.839 64.149 0.690 1
1 1394 . 19 1 1 A 134 134 SER N N 757 112.021 111.831 0.190 1
1 1395 . 19 1 1 A 134 134 SER H H 757 7.500 7.641 -0.141 1
1 1396 . 19 1 1 A 134 134 SER CA C 757 56.158 56.682 -0.524 1
1 1397 . 19 1 1 A 134 134 SER HA H 757 4.950 4.768 0.182 1
1 1398 . 19 1 1 A 134 134 SER CB C 757 63.906 65.022 -1.116 1
1 1401 . 19 1 1 A 135 135 PRO CA C 758 64.159 64.612 -0.453 1
1 1402 . 19 1 1 A 135 135 PRO HA H 758 4.132 4.849 -0.717 1
1 1403 . 19 1 1 A 135 135 PRO CB C 758 31.649 32.173 -0.524 1
1 1412 . 19 1 1 A 136 136 GLN N N 759 116.382 117.595 -1.213 1
1 1413 . 19 1 1 A 136 136 GLN H H 759 8.067 8.454 -0.387 1
1 1414 . 19 1 1 A 136 136 GLN CA C 759 59.483 58.062 1.421 1
1 1415 . 19 1 1 A 136 136 GLN HA H 759 3.963 4.264 -0.301 1
1 1416 . 19 1 1 A 136 136 GLN CB C 759 27.414 28.584 -1.170 1
1 1425 . 19 1 1 A 137 137 GLU N N 760 121.764 119.121 2.643 1
1 1426 . 19 1 1 A 137 137 GLU H H 760 7.826 8.493 -0.667 1
1 1427 . 19 1 1 A 137 137 GLU CA C 760 59.184 59.183 0.001 1
1 1428 . 19 1 1 A 137 137 GLU HA H 760 4.063 3.875 0.188 1
1 1429 . 19 1 1 A 137 137 GLU CB C 760 30.403 28.920 1.483 1
1 1435 . 19 1 1 A 138 138 PHE N N 761 120.582 119.658 0.924 1
1 1436 . 19 1 1 A 138 138 PHE H H 761 6.900 7.910 -1.010 1
1 1437 . 19 1 1 A 138 138 PHE CA C 761 60.105 61.347 -1.242 1
1 1438 . 19 1 1 A 138 138 PHE HA H 761 3.604 4.503 -0.899 1
1 1439 . 19 1 1 A 138 138 PHE CB C 761 38.271 38.987 -0.716 1
1 1448 . 19 1 1 A 139 139 ALA N N 762 120.917 122.387 -1.470 1
1 1449 . 19 1 1 A 139 139 ALA H H 762 8.399 7.882 0.517 1
1 1450 . 19 1 1 A 139 139 ALA CA C 762 54.940 54.703 0.237 1
1 1451 . 19 1 1 A 139 139 ALA HA H 762 3.804 3.279 0.525 1
1 1452 . 19 1 1 A 139 139 ALA CB C 762 18.001 18.349 -0.348 1
1 1456 . 19 1 1 A 140 140 GLN N N 763 119.041 117.332 1.709 1
1 1457 . 19 1 1 A 140 140 GLN H H 763 8.436 8.366 0.070 1
1 1458 . 19 1 1 A 140 140 GLN CA C 763 58.474 59.082 -0.608 1
1 1459 . 19 1 1 A 140 140 GLN HA H 763 4.056 3.938 0.118 1
1 1460 . 19 1 1 A 140 140 GLN CB C 763 28.345 28.159 0.186 1
1 1469 . 19 1 1 A 141 141 ASP N N 764 122.985 119.434 3.551 1
1 1470 . 19 1 1 A 141 141 ASP H H 764 7.694 7.285 0.409 1
1 1471 . 19 1 1 A 141 141 ASP CA C 764 57.087 56.629 0.458 1
1 1472 . 19 1 1 A 141 141 ASP HA H 764 4.517 4.378 0.139 1
1 1473 . 19 1 1 A 141 141 ASP CB C 764 39.897 41.004 -1.107 1
1 1476 . 19 1 1 A 142 142 VAL N N 765 119.630 115.699 3.931 1
1 1477 . 19 1 1 A 142 142 VAL H H 765 7.431 7.999 -0.568 1
1 1478 . 19 1 1 A 142 142 VAL CA C 765 66.489 64.785 1.704 1
1 1479 . 19 1 1 A 142 142 VAL HA H 765 2.740 3.244 -0.504 1
1 1480 . 19 1 1 A 142 142 VAL CB C 765 30.729 30.499 0.230 1
1 1490 . 19 1 1 A 143 143 GLY N N 766 104.089 111.133 -7.044 1
1 1491 . 19 1 1 A 143 143 GLY H H 766 8.089 8.251 -0.162 1
1 1492 . 19 1 1 A 143 143 GLY CA C 766 47.271 46.744 0.527 1
1 1493 . 19 1 1 A 143 143 GLY HA3 H 766 3.783 4.000 -0.217 1
1 1494 . 19 1 1 A 143 143 GLY HA2 H 766 3.870 3.782 0.088 1
1 1495 . 19 1 1 A 144 144 ARG N N 767 123.406 122.111 1.295 1
1 1496 . 19 1 1 A 144 144 ARG H H 767 8.270 8.203 0.067 1
1 1497 . 19 1 1 A 144 144 ARG CA C 767 59.627 59.051 0.576 1
1 1498 . 19 1 1 A 144 144 ARG HA H 767 4.026 4.035 -0.009 1
1 1499 . 19 1 1 A 144 144 ARG CB C 767 30.003 29.920 0.083 1
1 1507 . 19 1 1 A 145 145 MET N N 768 121.310 118.299 3.011 1
1 1508 . 19 1 1 A 145 145 MET H H 768 8.053 8.464 -0.411 1
1 1509 . 19 1 1 A 145 145 MET CA C 768 58.727 59.148 -0.421 1
1 1510 . 19 1 1 A 145 145 MET HA H 768 3.932 3.946 -0.014 1
1 1511 . 19 1 1 A 145 145 MET CB C 768 31.536 32.330 -0.794 1
1 1521 . 19 1 1 A 146 146 PHE N N 769 117.125 118.166 -1.041 1
1 1522 . 19 1 1 A 146 146 PHE H H 769 8.005 8.360 -0.355 1
1 1523 . 19 1 1 A 146 146 PHE CA C 769 59.441 61.860 -2.419 1
1 1524 . 19 1 1 A 146 146 PHE HA H 769 4.582 4.638 -0.056 1
1 1525 . 19 1 1 A 146 146 PHE CB C 769 37.558 38.717 -1.159 1
1 1534 . 19 1 1 A 147 147 LYS N N 770 119.226 118.500 0.726 1
1 1535 . 19 1 1 A 147 147 LYS H H 770 8.078 8.129 -0.051 1
1 1536 . 19 1 1 A 147 147 LYS CA C 770 59.479 59.448 0.031 1
1 1537 . 19 1 1 A 147 147 LYS HA H 770 4.153 3.958 0.195 1
1 1538 . 19 1 1 A 147 147 LYS CB C 770 32.336 32.183 0.153 1
1 1547 . 19 1 1 A 148 148 GLN N N 771 118.870 118.215 0.655 1
1 1548 . 19 1 1 A 148 148 GLN H H 771 8.338 8.023 0.315 1
1 1549 . 19 1 1 A 148 148 GLN CA C 771 58.440 57.831 0.609 1
1 1550 . 19 1 1 A 148 148 GLN HA H 771 4.140 4.187 -0.047 1
1 1551 . 19 1 1 A 148 148 GLN CB C 771 28.382 28.471 -0.089 1
1 1560 . 19 1 1 A 149 149 PHE N N 772 120.162 121.996 -1.834 1
1 1561 . 19 1 1 A 149 149 PHE H H 772 8.411 9.072 -0.661 1
1 1562 . 19 1 1 A 149 149 PHE CA C 772 60.460 61.021 -0.561 1
1 1563 . 19 1 1 A 149 149 PHE HA H 772 4.433 4.052 0.381 1
1 1564 . 19 1 1 A 149 149 PHE CB C 772 39.428 39.504 -0.076 1
1 1573 . 19 1 1 A 150 150 ASN N N 773 117.836 116.803 1.033 1
1 1574 . 19 1 1 A 150 150 ASN H H 773 8.279 7.864 0.415 1
1 1575 . 19 1 1 A 150 150 ASN HA H 773 4.375 4.623 -0.248 1
1 1576 . 19 1 1 A 150 150 ASN CB C 773 38.977 39.335 -0.358 1
1 1582 . 19 1 1 A 151 151 LYS N N 774 118.045 116.248 1.797 1
1 1583 . 19 1 1 A 151 151 LYS H H 774 7.648 7.570 0.078 1
1 1584 . 19 1 1 A 151 151 LYS CA C 774 57.563 56.660 0.903 1
1 1585 . 19 1 1 A 151 151 LYS HA H 774 4.225 4.444 -0.219 1
1 1586 . 19 1 1 A 151 151 LYS CB C 774 32.333 32.790 -0.457 1
1 1595 . 19 1 1 A 152 152 LEU N N 775 119.031 114.491 4.540 1
1 1596 . 19 1 1 A 152 152 LEU H H 775 7.825 7.715 0.110 1
1 1597 . 19 1 1 A 152 152 LEU CA C 775 55.990 55.844 0.146 1
1 1598 . 19 1 1 A 152 152 LEU HA H 775 4.270 4.388 -0.118 1
1 1599 . 19 1 1 A 152 152 LEU CB C 775 42.487 42.702 -0.215 1
1 1612 . 19 1 1 A 153 153 THR N N 776 110.107 112.187 -2.080 1
1 1613 . 19 1 1 A 153 153 THR H H 776 7.525 7.906 -0.381 1
1 1614 . 19 1 1 A 153 153 THR CA C 776 61.535 62.791 -1.256 1
1 1615 . 19 1 1 A 153 153 THR HA H 776 4.332 4.001 0.331 1
1 1616 . 19 1 1 A 153 153 THR CB C 776 69.570 66.412 3.158 1
1 1622 . 19 1 1 A 154 154 GLU N N 777 122.427 121.796 0.631 1
1 1623 . 19 1 1 A 154 154 GLU H H 777 8.027 8.394 -0.367 1
1 1624 . 19 1 1 A 154 154 GLU CA C 777 57.720 58.675 -0.955 1
1 1625 . 19 1 1 A 154 154 GLU HA H 777 4.216 4.141 0.075 1
1 1626 . 19 1 1 A 154 154 GLU CB C 777 29.977 29.248 0.729 1
1 1631 . 19 1 1 A 155 155 ASP N N 778 119.283 118.461 0.822 1
1 1632 . 19 1 1 A 155 155 ASP H H 778 8.372 8.000 0.372 1
1 1633 . 19 1 1 A 155 155 ASP CA C 778 54.709 55.411 -0.702 1
1 1634 . 19 1 1 A 155 155 ASP HA H 778 4.602 4.576 0.026 1
1 1635 . 19 1 1 A 155 155 ASP CB C 778 40.600 41.699 -1.099 1
1 1638 . 19 1 1 A 156 156 LYS N N 779 120.684 118.676 2.008 1
1 1639 . 19 1 1 A 156 156 LYS H H 779 8.068 7.958 0.110 1
1 1640 . 19 1 1 A 156 156 LYS CA C 779 56.388 57.992 -1.604 1
1 1641 . 19 1 1 A 156 156 LYS HA H 779 4.333 4.195 0.138 1
1 1642 . 19 1 1 A 156 156 LYS CB C 779 32.814 31.869 0.945 1
1 1651 . 19 1 1 A 157 157 ALA N N 780 123.182 120.635 2.547 1
1 1652 . 19 1 1 A 157 157 ALA H H 780 8.197 8.767 -0.570 1
1 1653 . 19 1 1 A 157 157 ALA CA C 780 52.591 53.732 -1.141 1
1 1654 . 19 1 1 A 157 157 ALA HA H 780 4.337 3.983 0.354 1
1 1655 . 19 1 1 A 157 157 ALA CB C 780 19.186 18.319 0.867 1
1 1659 . 19 1 1 A 158 158 ASP N N 781 118.794 116.560 2.234 1
1 1660 . 19 1 1 A 158 158 ASP H H 781 8.222 7.972 0.250 1
1 1661 . 19 1 1 A 158 158 ASP CA C 781 54.003 53.185 0.818 1
1 1662 . 19 1 1 A 158 158 ASP HA H 781 4.673 4.874 -0.201 1
1 1663 . 19 1 1 A 158 158 ASP CB C 781 41.075 42.045 -0.970 1
1 1666 . 19 1 1 A 159 159 VAL N N 782 120.713 119.847 0.866 1
1 1667 . 19 1 1 A 159 159 VAL H H 782 8.039 7.614 0.425 1
1 1668 . 19 1 1 A 159 159 VAL CA C 782 63.898 65.509 -1.611 1
1 1669 . 19 1 1 A 159 159 VAL HA H 782 4.028 3.714 0.314 1
1 1670 . 19 1 1 A 159 159 VAL CB C 782 32.181 31.263 0.918 1
1 1680 . 19 1 1 A 160 160 GLN N N 783 120.756 120.245 0.511 1
1 1681 . 19 1 1 A 160 160 GLN H H 783 8.370 7.686 0.684 1
1 1682 . 19 1 1 A 160 160 GLN CA C 783 57.563 55.960 1.603 1
1 1683 . 19 1 1 A 160 160 GLN HA H 783 4.219 4.329 -0.110 1
1 1684 . 19 1 1 A 160 160 GLN CB C 783 28.410 29.248 -0.838 1
1 1691 . 19 1 1 A 161 161 SER N N 784 116.111 113.590 2.521 1
1 1692 . 19 1 1 A 161 161 SER H H 784 8.190 7.978 0.212 1
1 1693 . 19 1 1 A 161 161 SER CA C 784 60.089 60.126 -0.037 1
1 1694 . 19 1 1 A 161 161 SER HA H 784 4.361 4.458 -0.097 1
1 1695 . 19 1 1 A 161 161 SER CB C 784 62.955 63.816 -0.861 1
1 1698 . 19 1 1 A 162 162 ILE N N 785 122.105 122.588 -0.483 1
1 1699 . 19 1 1 A 162 162 ILE H H 785 8.014 7.612 0.402 1
1 1700 . 19 1 1 A 162 162 ILE CA C 785 62.963 64.715 -1.752 1
1 1701 . 19 1 1 A 162 162 ILE HA H 785 3.986 3.517 0.469 1
1 1702 . 19 1 1 A 162 162 ILE CB C 785 37.568 37.462 0.106 1
1 1715 . 19 1 1 A 163 163 ILE N N 786 122.150 120.784 1.366 1
1 1716 . 19 1 1 A 163 163 ILE H H 786 7.913 7.910 0.003 1
1 1717 . 19 1 1 A 163 163 ILE CA C 786 64.074 65.183 -1.109 1
1 1718 . 19 1 1 A 163 163 ILE HA H 786 3.947 3.731 0.216 1
1 1719 . 19 1 1 A 163 163 ILE CB C 786 37.561 38.086 -0.525 1
1 1732 . 19 1 1 A 164 164 GLY N N 787 107.177 107.842 -0.665 1
1 1733 . 19 1 1 A 164 164 GLY H H 787 8.057 8.240 -0.183 1
1 1734 . 19 1 1 A 164 164 GLY CA C 787 46.938 46.637 0.301 1
1 1735 . 19 1 1 A 164 164 GLY HA3 H 787 3.907 3.841 0.066 1
1 1736 . 19 1 1 A 164 164 GLY HA2 H 787 4.007 3.811 0.196 1
1 1737 . 19 1 1 A 165 165 LEU N N 788 123.590 122.606 0.984 1
1 1738 . 19 1 1 A 165 165 LEU H H 788 7.676 7.960 -0.284 1
1 1739 . 19 1 1 A 165 165 LEU CA C 788 57.738 57.594 0.144 1
1 1740 . 19 1 1 A 165 165 LEU HA H 788 4.052 3.868 0.184 1
1 1741 . 19 1 1 A 165 165 LEU CB C 788 40.833 41.973 -1.140 1
1 1753 . 19 1 1 A 166 166 GLN N N 789 119.114 118.872 0.242 1
1 1754 . 19 1 1 A 166 166 GLN H H 789 7.956 8.354 -0.398 1
1 1755 . 19 1 1 A 166 166 GLN CA C 789 59.445 59.041 0.404 1
1 1756 . 19 1 1 A 166 166 GLN HA H 789 3.844 3.189 0.655 1
1 1757 . 19 1 1 A 166 166 GLN CB C 789 27.826 27.807 0.019 1
1 1765 . 19 1 1 A 167 167 ARG N N 790 118.851 119.609 -0.758 1
1 1766 . 19 1 1 A 167 167 ARG H H 790 8.387 8.127 0.260 1
1 1767 . 19 1 1 A 167 167 ARG CA C 790 58.942 58.655 0.287 1
1 1768 . 19 1 1 A 167 167 ARG HA H 790 4.191 4.080 0.111 1
1 1769 . 19 1 1 A 167 167 ARG CB C 790 29.829 30.296 -0.467 1
1 1776 . 19 1 1 A 168 168 PHE N N 791 122.408 121.601 0.807 1
1 1777 . 19 1 1 A 168 168 PHE H H 791 8.127 7.958 0.169 1
1 1778 . 19 1 1 A 168 168 PHE CA C 791 61.976 61.486 0.490 1
1 1779 . 19 1 1 A 168 168 PHE HA H 791 4.164 4.281 -0.117 1
1 1780 . 19 1 1 A 168 168 PHE CB C 791 38.894 39.100 -0.206 1
1 1788 . 19 1 1 A 169 169 PHE N N 792 119.223 120.527 -1.304 1
1 1789 . 19 1 1 A 169 169 PHE H H 792 8.500 8.810 -0.310 1
1 1790 . 19 1 1 A 169 169 PHE CA C 792 61.093 62.362 -1.269 1
1 1791 . 19 1 1 A 169 169 PHE HA H 792 4.053 4.453 -0.400 1
1 1792 . 19 1 1 A 169 169 PHE CB C 792 39.182 39.524 -0.342 1
1 1800 . 19 1 1 A 170 170 GLU N N 793 119.089 117.789 1.300 1
1 1801 . 19 1 1 A 170 170 GLU H H 793 8.718 8.030 0.688 1
1 1802 . 19 1 1 A 170 170 GLU CA C 793 59.843 58.963 0.880 1
1 1803 . 19 1 1 A 170 170 GLU HA H 793 3.483 3.567 -0.084 1
1 1804 . 19 1 1 A 170 170 GLU CB C 793 29.372 28.958 0.414 1
1 1810 . 19 1 1 A 171 171 THR N N 794 115.081 117.927 -2.846 1
1 1811 . 19 1 1 A 171 171 THR H H 794 8.205 7.999 0.206 1
1 1812 . 19 1 1 A 171 171 THR CA C 794 66.661 66.858 -0.197 1
1 1813 . 19 1 1 A 171 171 THR HA H 794 3.935 3.682 0.253 1
1 1814 . 19 1 1 A 171 171 THR CB C 794 68.604 68.625 -0.021 1
1 1820 . 19 1 1 A 172 172 ARG N N 795 120.165 118.750 1.415 1
1 1821 . 19 1 1 A 172 172 ARG H H 795 7.776 7.869 -0.093 1
1 1822 . 19 1 1 A 172 172 ARG CA C 795 57.535 59.650 -2.115 1
1 1823 . 19 1 1 A 172 172 ARG HA H 795 4.030 3.962 0.068 1
1 1824 . 19 1 1 A 172 172 ARG CB C 795 29.886 29.847 0.039 1
1 1828 . 19 1 1 A 173 173 MET N N 796 120.347 119.427 0.920 1
1 1829 . 19 1 1 A 173 173 MET H H 796 8.503 7.890 0.613 1
1 1830 . 19 1 1 A 173 173 MET CA C 796 57.453 58.077 -0.624 1
1 1831 . 19 1 1 A 173 173 MET HA H 796 4.383 4.357 0.026 1
1 1832 . 19 1 1 A 173 173 MET CB C 796 30.469 32.218 -1.749 1
1 1840 . 19 1 1 A 174 174 ASN N N 797 119.200 117.846 1.354 1
1 1841 . 19 1 1 A 174 174 ASN H H 797 8.351 7.878 0.473 1
1 1842 . 19 1 1 A 174 174 ASN CA C 797 55.851 56.057 -0.206 1
1 1843 . 19 1 1 A 174 174 ASN HA H 797 4.510 4.493 0.017 1
1 1844 . 19 1 1 A 174 174 ASN CB C 797 38.213 38.231 -0.018 1
1 1850 . 19 1 1 A 175 175 GLU N N 798 119.589 119.617 -0.028 1
1 1851 . 19 1 1 A 175 175 GLU H H 798 7.896 8.557 -0.661 1
1 1852 . 19 1 1 A 175 175 GLU CA C 798 59.033 59.357 -0.324 1
1 1853 . 19 1 1 A 175 175 GLU HA H 798 3.967 4.088 -0.121 1
1 1854 . 19 1 1 A 175 175 GLU CB C 798 29.296 29.254 0.042 1
1 1860 . 19 1 1 A 176 176 ALA N N 799 116.937 121.860 -4.923 1
1 1861 . 19 1 1 A 176 176 ALA H H 799 8.030 8.597 -0.567 1
1 1862 . 19 1 1 A 176 176 ALA CA C 799 54.179 55.001 -0.822 1
1 1863 . 19 1 1 A 176 176 ALA HA H 799 4.085 4.215 -0.130 1
1 1864 . 19 1 1 A 176 176 ALA CB C 799 19.432 18.526 0.906 1
1 1868 . 19 1 1 A 177 177 PHE N N 800 112.840 114.325 -1.485 1
1 1869 . 19 1 1 A 177 177 PHE H H 800 8.544 7.506 1.038 1
1 1870 . 19 1 1 A 177 177 PHE CA C 800 59.182 58.087 1.095 1
1 1871 . 19 1 1 A 177 177 PHE HA H 800 4.515 4.560 -0.045 1
1 1872 . 19 1 1 A 177 177 PHE CB C 800 39.642 39.093 0.549 1
1 1881 . 19 1 1 A 178 178 GLY N N 801 110.339 107.804 2.535 1
1 1882 . 19 1 1 A 178 178 GLY H H 801 7.974 7.810 0.164 1
1 1883 . 19 1 1 A 178 178 GLY CA C 801 45.607 46.452 -0.845 1
1 1884 . 19 1 1 A 178 178 GLY HA3 H 801 3.988 4.046 -0.058 1
1 1885 . 19 1 1 A 178 178 GLY HA2 H 801 4.031 4.035 -0.004 1
1 1886 . 19 1 1 A 179 179 ASP N N 802 119.627 118.942 0.685 1
1 1887 . 19 1 1 A 179 179 ASP H H 802 8.185 7.713 0.472 1
1 1888 . 19 1 1 A 179 179 ASP CA C 802 53.949 54.613 -0.664 1
1 1889 . 19 1 1 A 179 179 ASP HA H 802 4.679 4.797 -0.118 1
1 1890 . 19 1 1 A 179 179 ASP CB C 802 41.070 43.810 -2.740 1
1 1892 . 19 1 1 A 180 180 THR N N 803 113.769 115.279 -1.510 1
1 1893 . 19 1 1 A 180 180 THR H H 803 8.037 8.370 -0.333 1
1 1894 . 19 1 1 A 180 180 THR CA C 803 61.885 62.998 -1.113 1
1 1895 . 19 1 1 A 180 180 THR HA H 803 4.331 4.244 0.087 1
1 1896 . 19 1 1 A 180 180 THR CB C 803 70.002 69.911 0.091 1
1 1902 . 19 1 1 A 181 181 LYS N N 804 122.277 120.817 1.460 1
1 1903 . 19 1 1 A 181 181 LYS H H 804 8.198 8.885 -0.687 1
1 1904 . 19 1 1 A 181 181 LYS CA C 804 56.652 57.807 -1.155 1
1 1905 . 19 1 1 A 181 181 LYS HA H 804 4.151 3.894 0.257 1
1 1906 . 19 1 1 A 181 181 LYS CB C 804 32.377 30.303 2.074 1
1 1914 . 19 1 1 A 182 182 PHE N N 805 119.784 118.465 1.319 1
1 1915 . 19 1 1 A 182 182 PHE H H 805 8.206 8.253 -0.047 1
1 1916 . 19 1 1 A 182 182 PHE CA C 805 57.256 57.918 -0.662 1
1 1917 . 19 1 1 A 182 182 PHE HA H 805 4.664 4.512 0.152 1
1 1918 . 19 1 1 A 182 182 PHE CB C 805 38.774 38.197 0.577 1
1 1927 . 19 1 1 A 183 183 SER N N 806 123.742 115.763 7.979 1
1 1928 . 19 1 1 A 183 183 SER H H 806 8.121 8.117 0.004 1
1 1929 . 19 1 1 A 183 183 SER CA C 806 58.203 58.608 -0.405 1
1 1930 . 19 1 1 A 183 183 SER HA H 806 4.361 4.502 -0.141 1
1 1931 . 19 1 1 A 183 183 SER CB C 806 63.764 60.984 2.780 1
1 1934 . 19 1 1 A 184 184 ALA N N 807 125.704 125.719 -0.015 1
1 1935 . 19 1 1 A 184 184 ALA H H 807 8.286 8.676 -0.390 1
1 1936 . 19 1 1 A 184 184 ALA CA C 807 52.574 54.428 -1.854 1
1 1937 . 19 1 1 A 184 184 ALA HA H 807 4.360 4.162 0.198 1
1 1938 . 19 1 1 A 184 184 ALA CB C 807 18.947 18.947 0.000 1
1 1942 . 19 1 1 A 185 185 VAL N N 808 118.271 114.173 4.098 1
1 1943 . 19 1 1 A 185 185 VAL H H 808 7.958 7.761 0.197 1
1 1944 . 19 1 1 A 185 185 VAL CA C 808 62.216 62.765 -0.549 1
1 1945 . 19 1 1 A 185 185 VAL HA H 808 4.151 3.973 0.178 1
1 1946 . 19 1 1 A 185 185 VAL CB C 808 32.178 31.202 0.976 1
1 1952 . 19 1 1 A 186 186 LEU N N 809 125.280 121.228 4.052 1
1 1953 . 19 1 1 A 186 186 LEU H H 809 8.195 7.592 0.603 1
1 1954 . 19 1 1 A 186 186 LEU CA C 809 54.474 54.275 0.199 1
1 1955 . 19 1 1 A 186 186 LEU HA H 809 4.430 4.598 -0.168 1
1 1956 . 19 1 1 A 186 186 LEU CB C 809 42.303 43.557 -1.254 1
1 1968 . 19 1 1 A 187 187 VAL N N 810 120.937 119.942 0.995 1
1 1969 . 19 1 1 A 187 187 VAL H H 810 7.985 7.406 0.579 1
1 1970 . 19 1 1 A 187 187 VAL CA C 810 62.004 62.110 -0.106 1
1 1971 . 19 1 1 A 187 187 VAL HA H 810 4.155 3.939 0.216 1
1 1972 . 19 1 1 A 187 187 VAL CB C 810 32.602 31.117 1.485 1
1 1979 . 19 1 1 A 188 188 GLU N N 811 126.353 128.239 -1.886 1
1 1980 . 19 1 1 A 188 188 GLU H H 811 8.292 8.399 -0.107 1
1 1981 . 19 1 1 A 188 188 GLU CA C 811 54.162 52.977 1.185 1
1 1982 . 19 1 1 A 188 188 GLU HA H 811 4.609 4.948 -0.339 1
1 1983 . 19 1 1 A 188 188 GLU CB C 811 29.775 30.963 -1.188 1
1 1 . 20 1 1 A 2 2 ALA CA C 625 52.969 51.466 1.503 1
1 2 . 20 1 1 A 2 2 ALA HA H 625 4.493 4.500 -0.007 1
1 3 . 20 1 1 A 2 2 ALA CB C 625 19.272 20.587 -1.315 1
1 7 . 20 1 1 A 3 3 THR N N 626 113.570 108.087 5.483 1
1 8 . 20 1 1 A 3 3 THR H H 626 8.176 8.304 -0.128 1
1 9 . 20 1 1 A 3 3 THR CA C 626 61.314 65.709 -4.395 1
1 10 . 20 1 1 A 3 3 THR HA H 626 4.298 3.972 0.326 1
1 11 . 20 1 1 A 3 3 THR CB C 626 69.270 66.657 2.613 1
1 17 . 20 1 1 A 4 4 ILE N N 627 115.272 120.350 -5.078 1
1 18 . 20 1 1 A 4 4 ILE H H 627 7.549 8.467 -0.918 1
1 19 . 20 1 1 A 4 4 ILE CA C 627 58.731 61.609 -2.878 1
1 20 . 20 1 1 A 4 4 ILE HA H 627 4.258 4.627 -0.369 1
1 21 . 20 1 1 A 4 4 ILE CB C 627 42.246 37.604 4.642 1
1 34 . 20 1 1 A 5 5 CYS N N 628 124.095 125.635 -1.540 1
1 35 . 20 1 1 A 5 5 CYS H H 628 7.766 8.586 -0.820 1
1 36 . 20 1 1 A 5 5 CYS CA C 628 57.978 59.375 -1.397 1
1 37 . 20 1 1 A 5 5 CYS HA H 628 3.781 4.024 -0.243 1
1 38 . 20 1 1 A 5 5 CYS CB C 628 31.436 28.274 3.162 1
1 41 . 20 1 1 A 6 6 ARG N N 629 129.928 127.903 2.025 1
1 42 . 20 1 1 A 6 6 ARG H H 629 9.040 8.292 0.748 1
1 43 . 20 1 1 A 6 6 ARG CA C 629 57.514 59.444 -1.930 1
1 44 . 20 1 1 A 6 6 ARG HA H 629 3.900 3.728 0.172 1
1 45 . 20 1 1 A 6 6 ARG CB C 629 30.251 29.502 0.749 1
1 54 . 20 1 1 A 7 7 VAL N N 630 118.166 118.951 -0.785 1
1 55 . 20 1 1 A 7 7 VAL H H 630 8.734 7.499 1.235 1
1 56 . 20 1 1 A 7 7 VAL CA C 630 65.770 66.765 -0.995 1
1 57 . 20 1 1 A 7 7 VAL HA H 630 4.137 3.599 0.538 1
1 58 . 20 1 1 A 7 7 VAL CB C 630 33.079 31.642 1.437 1
1 68 . 20 1 1 A 8 8 CYS N N 631 116.148 115.212 0.936 1
1 69 . 20 1 1 A 8 8 CYS H H 631 8.143 7.677 0.466 1
1 70 . 20 1 1 A 8 8 CYS CA C 631 59.154 58.678 0.476 1
1 71 . 20 1 1 A 8 8 CYS HA H 631 5.105 4.430 0.675 1
1 72 . 20 1 1 A 8 8 CYS CB C 631 31.184 27.660 3.524 1
1 75 . 20 1 1 A 9 9 GLN N N 632 115.248 116.234 -0.986 1
1 76 . 20 1 1 A 9 9 GLN H H 632 8.132 9.060 -0.928 1
1 77 . 20 1 1 A 9 9 GLN CA C 632 57.404 56.862 0.542 1
1 78 . 20 1 1 A 9 9 GLN HA H 632 4.068 3.753 0.315 1
1 79 . 20 1 1 A 9 9 GLN CB C 632 26.002 26.018 -0.016 1
1 88 . 20 1 1 A 10 10 LYS N N 633 118.420 118.171 0.249 1
1 89 . 20 1 1 A 10 10 LYS H H 633 8.091 7.819 0.272 1
1 90 . 20 1 1 A 10 10 LYS CA C 633 53.835 53.010 0.825 1
1 91 . 20 1 1 A 10 10 LYS HA H 633 5.046 4.865 0.181 1
1 92 . 20 1 1 A 10 10 LYS CB C 633 33.312 33.641 -0.329 1
1 102 . 20 1 1 A 11 11 PRO CA C 634 62.136 62.802 -0.666 1
1 103 . 20 1 1 A 11 11 PRO HA H 634 5.056 4.838 0.218 1
1 104 . 20 1 1 A 11 11 PRO CB C 634 33.061 32.308 0.753 1
1 112 . 20 1 1 A 12 12 GLY N N 635 106.958 108.033 -1.075 1
1 113 . 20 1 1 A 12 12 GLY H H 635 8.475 7.975 0.500 1
1 114 . 20 1 1 A 12 12 GLY CA C 635 45.303 45.743 -0.440 1
1 115 . 20 1 1 A 12 12 GLY HA3 H 635 3.812 4.364 -0.552 1
1 116 . 20 1 1 A 12 12 GLY HA2 H 635 4.438 4.230 0.208 1
1 117 . 20 1 1 A 13 13 ASP N N 636 124.001 122.382 1.619 1
1 118 . 20 1 1 A 13 13 ASP H H 636 8.729 8.558 0.171 1
1 119 . 20 1 1 A 13 13 ASP CA C 636 54.239 53.367 0.872 1
1 120 . 20 1 1 A 13 13 ASP HA H 636 4.656 4.727 -0.071 1
1 121 . 20 1 1 A 13 13 ASP CB C 636 39.425 39.231 0.194 1
1 124 . 20 1 1 A 14 14 LEU N N 637 121.435 123.209 -1.774 1
1 125 . 20 1 1 A 14 14 LEU H H 637 7.849 8.052 -0.203 1
1 126 . 20 1 1 A 14 14 LEU CA C 637 53.306 54.680 -1.374 1
1 127 . 20 1 1 A 14 14 LEU HA H 637 4.546 4.778 -0.232 1
1 128 . 20 1 1 A 14 14 LEU CB C 637 44.117 42.363 1.754 1
1 141 . 20 1 1 A 15 15 VAL N N 638 118.100 120.067 -1.967 1
1 142 . 20 1 1 A 15 15 VAL H H 638 8.703 8.925 -0.222 1
1 143 . 20 1 1 A 15 15 VAL CA C 638 59.865 61.013 -1.148 1
1 144 . 20 1 1 A 15 15 VAL HA H 638 4.383 4.777 -0.394 1
1 145 . 20 1 1 A 15 15 VAL CB C 638 33.305 32.702 0.603 1
1 155 . 20 1 1 A 16 16 MET N N 639 125.271 126.989 -1.718 1
1 156 . 20 1 1 A 16 16 MET H H 639 8.519 8.983 -0.464 1
1 157 . 20 1 1 A 16 16 MET CA C 639 54.122 54.687 -0.565 1
1 158 . 20 1 1 A 16 16 MET HA H 639 5.210 4.937 0.273 1
1 159 . 20 1 1 A 16 16 MET CB C 639 36.310 32.691 3.619 1
1 169 . 20 1 1 A 17 17 CYS N N 640 129.455 125.006 4.449 1
1 170 . 20 1 1 A 17 17 CYS H H 640 9.139 8.976 0.163 1
1 171 . 20 1 1 A 17 17 CYS CA C 640 59.996 60.061 -0.065 1
1 172 . 20 1 1 A 17 17 CYS HA H 640 4.658 4.303 0.355 1
1 173 . 20 1 1 A 17 17 CYS CB C 640 31.238 28.397 2.841 1
1 176 . 20 1 1 A 18 18 ASN N N 641 128.271 126.245 2.026 1
1 177 . 20 1 1 A 18 18 ASN H H 641 8.914 9.040 -0.126 1
1 178 . 20 1 1 A 18 18 ASN CA C 641 55.658 55.081 0.577 1
1 179 . 20 1 1 A 18 18 ASN HA H 641 4.584 4.409 0.175 1
1 180 . 20 1 1 A 18 18 ASN CB C 641 38.955 37.597 1.358 1
1 186 . 20 1 1 A 19 19 GLN N N 642 121.426 117.012 4.414 1
1 187 . 20 1 1 A 19 19 GLN H H 642 9.313 7.813 1.500 1
1 188 . 20 1 1 A 19 19 GLN CA C 642 57.971 56.603 1.368 1
1 189 . 20 1 1 A 19 19 GLN HA H 642 4.502 4.337 0.165 1
1 190 . 20 1 1 A 19 19 GLN CB C 642 30.466 30.238 0.228 1
1 197 . 20 1 1 A 20 20 CYS N N 643 120.207 114.709 5.498 1
1 198 . 20 1 1 A 20 20 CYS H H 643 8.542 7.569 0.973 1
1 199 . 20 1 1 A 20 20 CYS CA C 643 59.473 57.925 1.548 1
1 200 . 20 1 1 A 20 20 CYS HA H 643 4.663 4.631 0.032 1
1 201 . 20 1 1 A 20 20 CYS CB C 643 31.889 27.952 3.937 1
1 204 . 20 1 1 A 21 21 GLU N N 644 114.113 115.163 -1.050 1
1 205 . 20 1 1 A 21 21 GLU H H 644 7.441 8.096 -0.655 1
1 206 . 20 1 1 A 21 21 GLU CA C 644 57.994 58.657 -0.663 1
1 207 . 20 1 1 A 21 21 GLU HA H 644 4.285 4.002 0.283 1
1 208 . 20 1 1 A 21 21 GLU CB C 644 26.843 27.564 -0.721 1
1 214 . 20 1 1 A 22 22 PHE N N 645 120.911 120.442 0.469 1
1 215 . 20 1 1 A 22 22 PHE H H 645 8.941 8.824 0.117 1
1 216 . 20 1 1 A 22 22 PHE CA C 645 57.356 59.390 -2.034 1
1 217 . 20 1 1 A 22 22 PHE HA H 645 4.777 4.553 0.224 1
1 218 . 20 1 1 A 22 22 PHE CB C 645 38.709 39.673 -0.964 1
1 226 . 20 1 1 A 23 23 CYS N N 646 115.830 124.544 -8.714 1
1 227 . 20 1 1 A 23 23 CYS H H 646 8.137 8.715 -0.578 1
1 228 . 20 1 1 A 23 23 CYS CA C 646 56.600 58.377 -1.777 1
1 229 . 20 1 1 A 23 23 CYS HA H 646 5.813 6.121 -0.308 1
1 230 . 20 1 1 A 23 23 CYS CB C 646 30.951 29.027 1.924 1
1 233 . 20 1 1 A 24 24 PHE N N 647 116.053 120.687 -4.634 1
1 234 . 20 1 1 A 24 24 PHE H H 647 9.011 8.835 0.176 1
1 235 . 20 1 1 A 24 24 PHE CA C 647 56.827 56.723 0.104 1
1 236 . 20 1 1 A 24 24 PHE HA H 647 5.910 4.781 1.129 1
1 237 . 20 1 1 A 24 24 PHE CB C 647 44.608 42.926 1.682 1
1 246 . 20 1 1 A 25 25 HIS N N 648 120.957 122.429 -1.472 1
1 247 . 20 1 1 A 25 25 HIS H H 648 8.427 9.114 -0.687 1
1 248 . 20 1 1 A 25 25 HIS CA C 648 58.971 57.072 1.899 1
1 249 . 20 1 1 A 25 25 HIS HA H 648 4.929 4.366 0.563 1
1 250 . 20 1 1 A 25 25 HIS CB C 648 31.178 29.805 1.373 1
1 257 . 20 1 1 A 26 26 LEU N N 649 123.176 117.150 6.026 1
1 258 . 20 1 1 A 26 26 LEU H H 649 9.369 8.013 1.356 1
1 259 . 20 1 1 A 26 26 LEU CA C 649 59.646 57.615 2.031 1
1 260 . 20 1 1 A 26 26 LEU HA H 649 3.829 3.776 0.053 1
1 261 . 20 1 1 A 26 26 LEU CB C 649 39.426 40.212 -0.786 1
1 274 . 20 1 1 A 27 27 ASP N N 650 109.058 118.674 -9.616 1
1 275 . 20 1 1 A 27 27 ASP H H 650 8.326 9.338 -1.012 1
1 276 . 20 1 1 A 27 27 ASP CA C 650 53.998 57.009 -3.011 1
1 277 . 20 1 1 A 27 27 ASP HA H 650 4.739 4.392 0.347 1
1 278 . 20 1 1 A 27 27 ASP CB C 650 40.331 40.358 -0.027 1
1 280 . 20 1 1 A 28 28 CYS N N 651 117.495 117.236 0.259 1
1 281 . 20 1 1 A 28 28 CYS H H 651 7.480 8.203 -0.723 1
1 282 . 20 1 1 A 28 28 CYS CA C 651 61.534 62.499 -0.965 1
1 283 . 20 1 1 A 28 28 CYS HA H 651 4.245 4.373 -0.128 1
1 284 . 20 1 1 A 28 28 CYS CB C 651 31.646 27.341 4.305 1
1 286 . 20 1 1 A 29 29 HIS N N 652 116.384 122.604 -6.220 1
1 287 . 20 1 1 A 29 29 HIS H H 652 6.894 7.838 -0.944 1
1 288 . 20 1 1 A 29 29 HIS CA C 652 59.713 57.638 2.075 1
1 289 . 20 1 1 A 29 29 HIS HA H 652 3.644 4.753 -1.109 1
1 290 . 20 1 1 A 29 29 HIS CB C 652 27.909 30.671 -2.762 1
1 296 . 20 1 1 A 30 30 LEU N N 653 121.110 126.860 -5.750 1
1 297 . 20 1 1 A 30 30 LEU H H 653 4.525 8.868 -4.343 1
1 298 . 20 1 1 A 30 30 LEU CA C 653 51.439 59.462 -8.023 1
1 299 . 20 1 1 A 30 30 LEU HA H 653 4.515 3.420 1.095 1
1 300 . 20 1 1 A 30 30 LEU CB C 653 46.001 41.105 4.896 1
1 312 . 20 1 1 A 31 31 PRO CA C 654 62.964 63.456 -0.492 1
1 313 . 20 1 1 A 31 31 PRO HA H 654 4.471 4.439 0.032 1
1 314 . 20 1 1 A 31 31 PRO CB C 654 34.045 32.595 1.450 1
1 322 . 20 1 1 A 32 32 ALA N N 655 125.871 119.635 6.236 1
1 323 . 20 1 1 A 32 32 ALA H H 655 8.766 7.928 0.838 1
1 324 . 20 1 1 A 32 32 ALA CA C 655 52.771 53.026 -0.255 1
1 325 . 20 1 1 A 32 32 ALA HA H 655 4.349 5.026 -0.677 1
1 326 . 20 1 1 A 32 32 ALA CB C 655 18.177 18.077 0.100 1
1 330 . 20 1 1 A 33 33 LEU N N 656 123.348 123.041 0.307 1
1 331 . 20 1 1 A 33 33 LEU H H 656 8.230 8.889 -0.659 1
1 332 . 20 1 1 A 33 33 LEU CA C 656 54.014 54.928 -0.914 1
1 333 . 20 1 1 A 33 33 LEU HA H 656 4.445 4.411 0.034 1
1 334 . 20 1 1 A 33 33 LEU CB C 656 43.197 42.636 0.561 1
1 347 . 20 1 1 A 34 34 GLN N N 657 119.992 119.252 0.740 1
1 348 . 20 1 1 A 34 34 GLN H H 657 8.679 8.833 -0.154 1
1 349 . 20 1 1 A 34 34 GLN CA C 657 56.354 56.012 0.342 1
1 350 . 20 1 1 A 34 34 GLN HA H 657 4.159 4.718 -0.559 1
1 351 . 20 1 1 A 34 34 GLN CB C 657 29.555 30.980 -1.425 1
1 359 . 20 1 1 A 35 35 ASP N N 658 115.420 116.425 -1.005 1
1 360 . 20 1 1 A 35 35 ASP H H 658 7.457 7.618 -0.161 1
1 361 . 20 1 1 A 35 35 ASP CA C 658 51.696 53.949 -2.253 1
1 362 . 20 1 1 A 35 35 ASP HA H 658 4.626 4.669 -0.043 1
1 363 . 20 1 1 A 35 35 ASP CB C 658 43.431 42.667 0.764 1
1 366 . 20 1 1 A 36 36 VAL N N 659 122.099 124.076 -1.977 1
1 367 . 20 1 1 A 36 36 VAL H H 659 8.624 8.370 0.254 1
1 368 . 20 1 1 A 36 36 VAL CA C 659 60.994 61.367 -0.373 1
1 369 . 20 1 1 A 36 36 VAL HA H 659 3.752 3.798 -0.046 1
1 370 . 20 1 1 A 36 36 VAL CB C 659 32.087 31.658 0.429 1
1 380 . 20 1 1 A 37 37 PRO CA C 660 62.728 63.860 -1.132 1
1 381 . 20 1 1 A 37 37 PRO HA H 660 4.454 4.332 0.122 1
1 382 . 20 1 1 A 37 37 PRO CB C 660 32.835 31.953 0.882 1
1 391 . 20 1 1 A 38 38 GLY N N 661 106.940 110.288 -3.348 1
1 392 . 20 1 1 A 38 38 GLY H H 661 8.189 8.349 -0.160 1
1 393 . 20 1 1 A 38 38 GLY CA C 661 44.397 47.223 -2.826 1
1 394 . 20 1 1 A 38 38 GLY HA3 H 661 3.969 3.845 0.124 1
1 395 . 20 1 1 A 38 38 GLY HA2 H 661 4.190 3.839 0.351 1
1 396 . 20 1 1 A 39 39 GLU N N 662 117.365 123.973 -6.608 1
1 397 . 20 1 1 A 39 39 GLU H H 662 8.281 8.710 -0.429 1
1 398 . 20 1 1 A 39 39 GLU CA C 662 57.520 59.301 -1.781 1
1 399 . 20 1 1 A 39 39 GLU HA H 662 4.281 4.049 0.232 1
1 400 . 20 1 1 A 39 39 GLU CB C 662 30.013 30.016 -0.003 1
1 405 . 20 1 1 A 40 40 GLU N N 663 117.986 116.989 0.997 1
1 406 . 20 1 1 A 40 40 GLU H H 663 8.697 7.996 0.701 1
1 407 . 20 1 1 A 40 40 GLU CA C 663 56.389 55.408 0.981 1
1 408 . 20 1 1 A 40 40 GLU HA H 663 4.293 4.683 -0.390 1
1 409 . 20 1 1 A 40 40 GLU CB C 663 28.787 30.490 -1.703 1
1 414 . 20 1 1 A 41 41 TRP N N 664 124.391 128.163 -3.772 1
1 415 . 20 1 1 A 41 41 TRP H H 664 7.967 9.082 -1.115 1
1 416 . 20 1 1 A 41 41 TRP CA C 664 59.934 57.951 1.983 1
1 417 . 20 1 1 A 41 41 TRP HA H 664 4.312 4.765 -0.453 1
1 418 . 20 1 1 A 41 41 TRP CB C 664 29.998 30.267 -0.269 1
1 432 . 20 1 1 A 42 42 SER N N 665 120.355 115.438 4.917 1
1 433 . 20 1 1 A 42 42 SER H H 665 6.873 7.588 -0.715 1
1 434 . 20 1 1 A 42 42 SER CA C 665 55.166 56.420 -1.254 1
1 435 . 20 1 1 A 42 42 SER HA H 665 5.259 4.674 0.585 1
1 436 . 20 1 1 A 42 42 SER CB C 665 65.990 65.094 0.896 1
1 439 . 20 1 1 A 43 43 CYS N N 666 125.642 122.034 3.608 1
1 440 . 20 1 1 A 43 43 CYS H H 666 9.271 7.944 1.327 1
1 441 . 20 1 1 A 43 43 CYS CA C 666 57.325 59.099 -1.774 1
1 442 . 20 1 1 A 43 43 CYS HA H 666 3.952 2.612 1.340 1
1 443 . 20 1 1 A 43 43 CYS CB C 666 34.022 27.393 6.629 1
1 446 . 20 1 1 A 44 44 SER N N 667 117.158 120.058 -2.900 1
1 447 . 20 1 1 A 44 44 SER H H 667 7.068 8.092 -1.024 1
1 448 . 20 1 1 A 44 44 SER CA C 667 61.353 62.460 -1.107 1
1 449 . 20 1 1 A 44 44 SER HA H 667 4.225 4.258 -0.033 1
1 450 . 20 1 1 A 44 44 SER CB C 667 63.693 63.371 0.322 1
1 453 . 20 1 1 A 45 45 LEU N N 668 120.667 117.058 3.609 1
1 454 . 20 1 1 A 45 45 LEU H H 668 8.965 8.298 0.667 1
1 455 . 20 1 1 A 45 45 LEU CA C 668 57.416 56.200 1.216 1
1 456 . 20 1 1 A 45 45 LEU HA H 668 4.178 4.470 -0.292 1
1 457 . 20 1 1 A 45 45 LEU CB C 668 40.611 40.769 -0.158 1
1 470 . 20 1 1 A 46 46 CYS N N 669 121.872 117.295 4.577 1
1 471 . 20 1 1 A 46 46 CYS H H 669 7.816 8.370 -0.554 1
1 472 . 20 1 1 A 46 46 CYS CA C 669 62.557 59.396 3.161 1
1 473 . 20 1 1 A 46 46 CYS HA H 669 3.969 4.017 -0.048 1
1 474 . 20 1 1 A 46 46 CYS CB C 669 30.467 29.911 0.556 1
1 477 . 20 1 1 A 47 47 HIS N N 670 119.396 120.982 -1.586 1
1 478 . 20 1 1 A 47 47 HIS H H 670 8.077 7.701 0.376 1
1 479 . 20 1 1 A 47 47 HIS CA C 670 55.625 59.111 -3.486 1
1 480 . 20 1 1 A 47 47 HIS HA H 670 4.429 4.092 0.337 1
1 481 . 20 1 1 A 47 47 HIS CB C 670 30.326 30.237 0.089 1
1 488 . 20 1 1 A 48 48 VAL N N 671 123.528 116.713 6.815 1
1 489 . 20 1 1 A 48 48 VAL H H 671 7.978 8.026 -0.048 1
1 490 . 20 1 1 A 48 48 VAL CA C 671 62.120 64.352 -2.232 1
1 491 . 20 1 1 A 48 48 VAL HA H 671 3.925 3.749 0.176 1
1 492 . 20 1 1 A 48 48 VAL CB C 671 32.396 30.087 2.309 1
1 502 . 20 1 1 A 49 49 LEU N N 672 126.622 123.725 2.897 1
1 503 . 20 1 1 A 49 49 LEU H H 672 8.139 7.787 0.352 1
1 504 . 20 1 1 A 49 49 LEU CA C 672 52.859 51.722 1.137 1
1 505 . 20 1 1 A 49 49 LEU HA H 672 4.475 4.672 -0.197 1
1 506 . 20 1 1 A 49 49 LEU CB C 672 41.536 42.452 -0.916 1
1 518 . 20 1 1 A 50 50 PRO CA C 673 62.715 65.556 -2.841 1
1 519 . 20 1 1 A 50 50 PRO HA H 673 4.386 4.179 0.207 1
1 520 . 20 1 1 A 50 50 PRO CB C 673 32.093 31.607 0.486 1
1 528 . 20 1 1 A 51 51 ASP N N 674 120.540 118.630 1.910 1
1 529 . 20 1 1 A 51 51 ASP H H 674 8.307 8.084 0.223 1
1 530 . 20 1 1 A 51 51 ASP CA C 674 54.202 55.664 -1.462 1
1 531 . 20 1 1 A 51 51 ASP HA H 674 4.564 4.282 0.282 1
1 532 . 20 1 1 A 51 51 ASP CB C 674 41.030 40.510 0.520 1
1 535 . 20 1 1 A 52 52 LEU N N 675 122.987 122.734 0.253 1
1 536 . 20 1 1 A 52 52 LEU H H 675 8.053 7.750 0.303 1
1 537 . 20 1 1 A 52 52 LEU CA C 675 54.945 55.244 -0.299 1
1 538 . 20 1 1 A 52 52 LEU HA H 675 4.364 4.296 0.068 1
1 539 . 20 1 1 A 52 52 LEU CB C 675 42.436 40.589 1.847 1
1 551 . 20 1 1 A 53 53 LYS N N 676 122.061 126.211 -4.150 1
1 552 . 20 1 1 A 53 53 LYS H H 676 8.340 8.437 -0.097 1
1 553 . 20 1 1 A 53 53 LYS CA C 676 56.060 60.399 -4.339 1
1 554 . 20 1 1 A 53 53 LYS HA H 676 4.331 3.986 0.345 1
1 555 . 20 1 1 A 53 53 LYS CB C 676 32.363 32.442 -0.079 1
1 564 . 20 1 1 A 54 54 GLU N N 677 121.909 117.608 4.301 1
1 565 . 20 1 1 A 54 54 GLU H H 677 8.403 7.938 0.465 1
1 566 . 20 1 1 A 54 54 GLU CA C 677 56.586 58.334 -1.748 1
1 567 . 20 1 1 A 54 54 GLU HA H 677 4.312 4.087 0.225 1
1 568 . 20 1 1 A 54 54 GLU CB C 677 30.221 28.171 2.050 1
1 573 . 20 1 1 A 55 55 GLU N N 678 121.528 123.018 -1.490 1
1 574 . 20 1 1 A 55 55 GLU H H 678 8.486 8.606 -0.120 1
1 575 . 20 1 1 A 55 55 GLU CA C 678 56.368 56.298 0.070 1
1 576 . 20 1 1 A 55 55 GLU HA H 678 4.315 4.494 -0.179 1
1 577 . 20 1 1 A 55 55 GLU CB C 678 28.896 30.061 -1.165 1
1 582 . 20 1 1 A 56 56 ASP N N 679 121.530 122.068 -0.538 1
1 583 . 20 1 1 A 56 56 ASP H H 679 8.322 7.237 1.085 1
1 584 . 20 1 1 A 56 56 ASP CA C 679 54.252 55.605 -1.353 1
1 585 . 20 1 1 A 56 56 ASP HA H 679 4.680 4.462 0.218 1
1 586 . 20 1 1 A 56 56 ASP CB C 679 41.146 41.203 -0.057 1
1 588 . 20 1 1 A 57 57 GLY N N 680 109.997 114.222 -4.225 1
1 589 . 20 1 1 A 57 57 GLY H H 680 8.412 8.815 -0.403 1
1 590 . 20 1 1 A 57 57 GLY CA C 680 45.247 45.380 -0.133 1
1 591 . 20 1 1 A 57 57 GLY HA2 H 680 4.020 3.963 0.057 1
1 592 . 20 1 1 A 58 58 SER N N 681 115.994 115.525 0.469 1
1 593 . 20 1 1 A 58 58 SER H H 681 8.280 8.073 0.207 1
1 594 . 20 1 1 A 58 58 SER CA C 681 58.239 57.806 0.433 1
1 595 . 20 1 1 A 58 58 SER HA H 681 3.996 4.758 -0.762 1
1 596 . 20 1 1 A 58 58 SER CB C 681 63.789 65.893 -2.104 1
1 598 . 20 1 1 A 59 59 LEU N N 682 123.362 122.525 0.837 1
1 599 . 20 1 1 A 59 59 LEU H H 682 8.164 7.554 0.610 1
1 600 . 20 1 1 A 59 59 LEU CA C 682 55.160 54.158 1.002 1
1 601 . 20 1 1 A 59 59 LEU HA H 682 4.427 4.874 -0.447 1
1 602 . 20 1 1 A 59 59 LEU CB C 682 42.473 44.859 -2.386 1
1 614 . 20 1 1 A 60 60 SER N N 683 116.385 118.559 -2.174 1
1 615 . 20 1 1 A 60 60 SER H H 683 8.226 8.685 -0.459 1
1 616 . 20 1 1 A 60 60 SER CA C 683 58.004 57.711 0.293 1
1 617 . 20 1 1 A 60 60 SER HA H 683 4.517 4.668 -0.151 1
1 618 . 20 1 1 A 60 60 SER CB C 683 63.651 64.892 -1.241 1
1 620 . 20 1 1 A 61 61 LEU N N 684 124.466 121.653 2.813 1
1 621 . 20 1 1 A 61 61 LEU H H 684 8.303 7.993 0.310 1
1 622 . 20 1 1 A 61 61 LEU CA C 684 54.959 55.729 -0.770 1
1 623 . 20 1 1 A 61 61 LEU HA H 684 4.412 3.978 0.434 1
1 624 . 20 1 1 A 61 61 LEU CB C 684 41.713 40.559 1.154 1
1 635 . 20 1 1 A 62 62 ASP N N 685 120.536 119.699 0.837 1
1 636 . 20 1 1 A 62 62 ASP H H 685 8.267 7.961 0.306 1
1 637 . 20 1 1 A 62 62 ASP CA C 685 54.276 56.211 -1.935 1
1 638 . 20 1 1 A 62 62 ASP HA H 685 4.680 4.394 0.286 1
1 639 . 20 1 1 A 62 62 ASP CB C 685 41.125 40.599 0.526 1
1 642 . 20 1 1 A 63 63 GLY N N 686 109.373 111.156 -1.783 1
1 643 . 20 1 1 A 63 63 GLY H H 686 8.277 8.604 -0.327 1
1 644 . 20 1 1 A 63 63 GLY CA C 686 45.297 45.070 0.227 1
1 645 . 20 1 1 A 63 63 GLY HA2 H 686 3.992 4.166 -0.174 1
1 646 . 20 1 1 A 64 64 ALA N N 687 123.584 124.337 -0.753 1
1 647 . 20 1 1 A 64 64 ALA H H 687 8.129 8.980 -0.851 1
1 648 . 20 1 1 A 64 64 ALA CA C 687 52.637 54.219 -1.582 1
1 649 . 20 1 1 A 64 64 ALA HA H 687 4.379 3.931 0.448 1
1 650 . 20 1 1 A 64 64 ALA CB C 687 19.122 18.014 1.108 1
1 654 . 20 1 1 A 65 65 ASP N N 688 118.924 118.825 0.099 1
1 655 . 20 1 1 A 65 65 ASP H H 688 8.326 8.922 -0.596 1
1 656 . 20 1 1 A 65 65 ASP CA C 688 53.972 54.696 -0.724 1
1 657 . 20 1 1 A 65 65 ASP HA H 688 4.682 4.572 0.110 1
1 658 . 20 1 1 A 65 65 ASP CB C 688 41.061 40.000 1.061 1
1 660 . 20 1 1 A 66 66 SER N N 689 116.036 119.611 -3.575 1
1 661 . 20 1 1 A 66 66 SER H H 689 8.285 8.750 -0.465 1
1 662 . 20 1 1 A 66 66 SER CA C 689 58.352 59.810 -1.458 1
1 663 . 20 1 1 A 66 66 SER HA H 689 4.443 4.584 -0.141 1
1 664 . 20 1 1 A 66 66 SER CB C 689 63.665 64.281 -0.616 1
1 666 . 20 1 1 A 67 67 THR N N 690 115.059 111.802 3.257 1
1 667 . 20 1 1 A 67 67 THR H H 690 8.253 7.932 0.321 1
1 668 . 20 1 1 A 67 67 THR CA C 690 62.556 62.487 0.069 1
1 669 . 20 1 1 A 67 67 THR HA H 690 4.379 4.584 -0.205 1
1 670 . 20 1 1 A 67 67 THR CB C 690 69.623 69.674 -0.051 1
1 676 . 20 1 1 A 68 68 GLY N N 691 111.091 109.568 1.523 1
1 677 . 20 1 1 A 68 68 GLY H H 691 8.366 7.833 0.533 1
1 678 . 20 1 1 A 68 68 GLY CA C 691 45.297 45.407 -0.110 1
1 679 . 20 1 1 A 68 68 GLY HA2 H 691 4.002 4.022 -0.020 1
1 680 . 20 1 1 A 69 69 VAL N N 692 119.280 118.302 0.978 1
1 681 . 20 1 1 A 69 69 VAL H H 692 7.876 8.000 -0.124 1
1 682 . 20 1 1 A 69 69 VAL CA C 692 62.068 63.121 -1.053 1
1 683 . 20 1 1 A 69 69 VAL HA H 692 4.176 3.751 0.425 1
1 684 . 20 1 1 A 69 69 VAL CB C 692 32.322 30.296 2.026 1
1 690 . 20 1 1 A 70 70 VAL N N 693 123.601 122.367 1.234 1
1 691 . 20 1 1 A 70 70 VAL H H 693 8.102 7.841 0.261 1
1 692 . 20 1 1 A 70 70 VAL CA C 693 61.886 63.005 -1.119 1
1 693 . 20 1 1 A 70 70 VAL HA H 693 4.150 4.355 -0.205 1
1 694 . 20 1 1 A 70 70 VAL CB C 693 32.429 32.701 -0.272 1
1 700 . 20 1 1 A 71 71 ALA N N 694 129.048 122.424 6.624 1
1 701 . 20 1 1 A 71 71 ALA H H 694 8.374 8.021 0.353 1
1 702 . 20 1 1 A 71 71 ALA CA C 694 52.125 52.983 -0.858 1
1 703 . 20 1 1 A 71 71 ALA HA H 694 4.454 4.045 0.409 1
1 704 . 20 1 1 A 71 71 ALA CB C 694 19.203 17.506 1.697 1
1 708 . 20 1 1 A 72 72 LYS N N 695 118.535 116.992 1.543 1
1 709 . 20 1 1 A 72 72 LYS H H 695 7.833 7.901 -0.068 1
1 710 . 20 1 1 A 72 72 LYS CA C 695 54.556 59.480 -4.924 1
1 711 . 20 1 1 A 72 72 LYS HA H 695 4.827 4.056 0.771 1
1 712 . 20 1 1 A 72 72 LYS CB C 695 35.245 32.311 2.934 1
1 722 . 20 1 1 A 73 73 LEU N N 696 121.834 118.119 3.715 1
1 723 . 20 1 1 A 73 73 LEU H H 696 8.772 7.601 1.171 1
1 724 . 20 1 1 A 73 73 LEU CA C 696 54.973 56.883 -1.910 1
1 725 . 20 1 1 A 73 73 LEU HA H 696 4.268 4.230 0.038 1
1 726 . 20 1 1 A 73 73 LEU CB C 696 42.467 42.518 -0.051 1
1 739 . 20 1 1 A 74 74 SER N N 697 121.120 111.767 9.353 1
1 740 . 20 1 1 A 74 74 SER H H 697 8.890 7.408 1.482 1
1 741 . 20 1 1 A 74 74 SER CA C 697 56.165 56.422 -0.257 1
1 742 . 20 1 1 A 74 74 SER HA H 697 4.710 4.761 -0.051 1
1 743 . 20 1 1 A 74 74 SER CB C 697 62.177 66.742 -4.565 1
1 745 . 20 1 1 A 75 75 PRO CA C 698 66.251 65.022 1.229 1
1 746 . 20 1 1 A 75 75 PRO HA H 698 4.350 4.304 0.046 1
1 747 . 20 1 1 A 75 75 PRO CB C 698 31.661 31.875 -0.214 1
1 755 . 20 1 1 A 76 76 ALA N N 699 117.914 119.723 -1.809 1
1 756 . 20 1 1 A 76 76 ALA H H 699 8.458 8.104 0.354 1
1 757 . 20 1 1 A 76 76 ALA CA C 699 55.000 54.942 0.058 1
1 758 . 20 1 1 A 76 76 ALA HA H 699 4.132 4.101 0.031 1
1 759 . 20 1 1 A 76 76 ALA CB C 699 18.785 19.015 -0.230 1
1 763 . 20 1 1 A 77 77 ASN N N 700 116.945 117.034 -0.089 1
1 764 . 20 1 1 A 77 77 ASN H H 700 7.760 8.244 -0.484 1
1 765 . 20 1 1 A 77 77 ASN CA C 700 55.210 56.244 -1.034 1
1 766 . 20 1 1 A 77 77 ASN HA H 700 4.763 3.887 0.876 1
1 767 . 20 1 1 A 77 77 ASN CB C 700 38.005 37.404 0.601 1
1 770 . 20 1 1 A 78 78 GLN N N 701 124.719 119.236 5.483 1
1 771 . 20 1 1 A 78 78 GLN H H 701 9.480 8.286 1.194 1
1 772 . 20 1 1 A 78 78 GLN CA C 701 59.634 59.182 0.452 1
1 773 . 20 1 1 A 78 78 GLN HA H 701 3.673 3.916 -0.243 1
1 774 . 20 1 1 A 78 78 GLN CB C 701 27.114 28.465 -1.351 1
1 782 . 20 1 1 A 79 79 ARG N N 702 117.069 118.426 -1.357 1
1 783 . 20 1 1 A 79 79 ARG H H 702 7.654 7.705 -0.051 1
1 784 . 20 1 1 A 79 79 ARG CA C 702 57.561 59.676 -2.115 1
1 785 . 20 1 1 A 79 79 ARG HA H 702 4.487 3.897 0.590 1
1 786 . 20 1 1 A 79 79 ARG CB C 702 29.680 29.902 -0.222 1
1 794 . 20 1 1 A 80 80 LYS N N 703 119.251 118.546 0.705 1
1 795 . 20 1 1 A 80 80 LYS H H 703 7.636 8.330 -0.694 1
1 796 . 20 1 1 A 80 80 LYS CA C 703 60.735 58.570 2.165 1
1 797 . 20 1 1 A 80 80 LYS HA H 703 3.702 3.957 -0.255 1
1 798 . 20 1 1 A 80 80 LYS CB C 703 34.002 31.831 2.171 1
1 808 . 20 1 1 A 81 81 CYS N N 704 115.848 119.022 -3.174 1
1 809 . 20 1 1 A 81 81 CYS H H 704 8.031 8.290 -0.259 1
1 810 . 20 1 1 A 81 81 CYS CA C 704 64.823 62.535 2.288 1
1 811 . 20 1 1 A 81 81 CYS HA H 704 3.687 4.160 -0.473 1
1 812 . 20 1 1 A 81 81 CYS CB C 704 26.491 27.234 -0.743 1
1 815 . 20 1 1 A 82 82 GLU N N 705 118.931 121.049 -2.118 1
1 816 . 20 1 1 A 82 82 GLU H H 705 8.286 8.500 -0.214 1
1 817 . 20 1 1 A 82 82 GLU CA C 705 59.887 59.761 0.126 1
1 818 . 20 1 1 A 82 82 GLU HA H 705 3.589 4.216 -0.627 1
1 819 . 20 1 1 A 82 82 GLU CB C 705 29.067 29.374 -0.307 1
1 825 . 20 1 1 A 83 83 ARG N N 706 119.029 121.221 -2.192 1
1 826 . 20 1 1 A 83 83 ARG H H 706 7.931 7.653 0.278 1
1 827 . 20 1 1 A 83 83 ARG CA C 706 60.133 59.393 0.740 1
1 828 . 20 1 1 A 83 83 ARG HA H 706 3.748 4.261 -0.513 1
1 829 . 20 1 1 A 83 83 ARG CB C 706 30.197 30.163 0.034 1
1 838 . 20 1 1 A 84 84 VAL N N 707 119.247 118.092 1.155 1
1 839 . 20 1 1 A 84 84 VAL H H 707 7.762 7.969 -0.207 1
1 840 . 20 1 1 A 84 84 VAL CA C 707 67.133 65.361 1.772 1
1 841 . 20 1 1 A 84 84 VAL HA H 707 3.562 3.989 -0.427 1
1 842 . 20 1 1 A 84 84 VAL CB C 707 31.857 31.226 0.631 1
1 852 . 20 1 1 A 85 85 LEU N N 708 119.414 122.435 -3.021 1
1 853 . 20 1 1 A 85 85 LEU H H 708 8.844 8.503 0.341 1
1 854 . 20 1 1 A 85 85 LEU CA C 708 57.561 58.583 -1.022 1
1 855 . 20 1 1 A 85 85 LEU HA H 708 4.366 4.135 0.231 1
1 856 . 20 1 1 A 85 85 LEU CB C 708 41.320 41.790 -0.470 1
1 869 . 20 1 1 A 86 86 LEU N N 709 120.156 120.748 -0.592 1
1 870 . 20 1 1 A 86 86 LEU H H 709 9.044 8.121 0.923 1
1 871 . 20 1 1 A 86 86 LEU CA C 709 57.977 58.270 -0.293 1
1 872 . 20 1 1 A 86 86 LEU HA H 709 4.382 4.274 0.108 1
1 873 . 20 1 1 A 86 86 LEU CB C 709 41.069 42.197 -1.128 1
1 886 . 20 1 1 A 87 87 ALA N N 710 121.264 120.769 0.495 1
1 887 . 20 1 1 A 87 87 ALA H H 710 8.136 8.770 -0.634 1
1 888 . 20 1 1 A 87 87 ALA CA C 710 55.439 55.807 -0.368 1
1 889 . 20 1 1 A 87 87 ALA HA H 710 4.217 4.525 -0.308 1
1 890 . 20 1 1 A 87 87 ALA CB C 710 17.525 18.924 -1.399 1
1 894 . 20 1 1 A 88 88 LEU N N 711 117.148 119.093 -1.945 1
1 895 . 20 1 1 A 88 88 LEU H H 711 8.158 9.220 -1.062 1
1 896 . 20 1 1 A 88 88 LEU CA C 711 58.688 57.850 0.838 1
1 897 . 20 1 1 A 88 88 LEU HA H 711 4.401 3.756 0.645 1
1 898 . 20 1 1 A 88 88 LEU CB C 711 41.534 42.122 -0.588 1
1 911 . 20 1 1 A 89 89 PHE N N 712 117.048 117.372 -0.324 1
1 912 . 20 1 1 A 89 89 PHE H H 712 8.536 9.060 -0.524 1
1 913 . 20 1 1 A 89 89 PHE CA C 712 62.732 60.673 2.059 1
1 914 . 20 1 1 A 89 89 PHE HA H 712 3.971 4.350 -0.379 1
1 915 . 20 1 1 A 89 89 PHE CB C 712 40.351 39.035 1.316 1
1 922 . 20 1 1 A 90 90 CYS N N 713 111.682 117.216 -5.534 1
1 923 . 20 1 1 A 90 90 CYS H H 713 7.689 8.917 -1.228 1
1 924 . 20 1 1 A 90 90 CYS CA C 713 60.573 61.981 -1.408 1
1 925 . 20 1 1 A 90 90 CYS HA H 713 4.614 4.128 0.486 1
1 926 . 20 1 1 A 90 90 CYS CB C 713 28.820 27.403 1.417 1
1 929 . 20 1 1 A 91 91 HIS N N 714 123.036 117.643 5.393 1
1 930 . 20 1 1 A 91 91 HIS H H 714 7.517 7.615 -0.098 1
1 931 . 20 1 1 A 91 91 HIS CA C 714 54.945 54.853 0.092 1
1 932 . 20 1 1 A 91 91 HIS HA H 714 4.939 4.478 0.461 1
1 933 . 20 1 1 A 91 91 HIS CB C 714 31.433 31.455 -0.022 1
1 940 . 20 1 1 A 92 92 GLU CA C 715 61.506 61.294 0.212 1
1 941 . 20 1 1 A 92 92 GLU HA H 715 4.052 3.954 0.098 1
1 942 . 20 1 1 A 92 92 GLU CB C 715 26.765 28.225 -1.460 1
1 947 . 20 1 1 A 93 93 PRO CA C 716 65.272 66.462 -1.190 1
1 948 . 20 1 1 A 93 93 PRO HA H 716 4.294 4.364 -0.070 1
1 949 . 20 1 1 A 93 93 PRO CB C 716 31.486 31.176 0.310 1
1 958 . 20 1 1 A 94 94 CYS N N 717 110.309 115.850 -5.541 1
1 959 . 20 1 1 A 94 94 CYS H H 717 7.667 8.133 -0.466 1
1 960 . 20 1 1 A 94 94 CYS CA C 717 58.484 62.614 -4.130 1
1 961 . 20 1 1 A 94 94 CYS HA H 717 4.406 4.193 0.213 1
1 962 . 20 1 1 A 94 94 CYS CB C 717 28.612 27.121 1.491 1
1 965 . 20 1 1 A 95 95 ARG N N 718 122.655 119.752 2.903 1
1 966 . 20 1 1 A 95 95 ARG H H 718 7.928 8.199 -0.271 1
1 967 . 20 1 1 A 95 95 ARG CA C 718 60.829 60.238 0.591 1
1 968 . 20 1 1 A 95 95 ARG HA H 718 3.740 2.743 0.997 1
1 969 . 20 1 1 A 95 95 ARG CB C 718 28.131 29.246 -1.115 1
1 977 . 20 1 1 A 96 96 PRO CA C 719 65.328 66.127 -0.799 1
1 978 . 20 1 1 A 96 96 PRO HA H 719 4.456 4.281 0.175 1
1 979 . 20 1 1 A 96 96 PRO CB C 719 31.665 30.894 0.771 1
1 987 . 20 1 1 A 97 97 LEU N N 720 112.429 117.462 -5.033 1
1 988 . 20 1 1 A 97 97 LEU H H 720 7.720 7.182 0.538 1
1 989 . 20 1 1 A 97 97 LEU CA C 720 54.707 56.919 -2.212 1
1 990 . 20 1 1 A 97 97 LEU HA H 720 4.228 3.159 1.069 1
1 991 . 20 1 1 A 97 97 LEU CB C 720 40.391 41.061 -0.670 1
1 1004 . 20 1 1 A 98 98 HIS N N 721 118.891 116.776 2.115 1
1 1005 . 20 1 1 A 98 98 HIS H H 721 7.964 8.550 -0.586 1
1 1006 . 20 1 1 A 98 98 HIS CA C 721 60.901 57.929 2.972 1
1 1007 . 20 1 1 A 98 98 HIS HA H 721 4.190 3.858 0.332 1
1 1008 . 20 1 1 A 98 98 HIS CB C 721 31.678 29.542 2.136 1
1 1015 . 20 1 1 A 99 99 GLN N N 722 116.787 115.630 1.157 1
1 1016 . 20 1 1 A 99 99 GLN H H 722 8.090 7.562 0.528 1
1 1017 . 20 1 1 A 99 99 GLN CA C 722 55.180 54.829 0.351 1
1 1018 . 20 1 1 A 99 99 GLN HA H 722 4.808 4.517 0.291 1
1 1019 . 20 1 1 A 99 99 GLN CB C 722 30.690 31.624 -0.934 1
1 1024 . 20 1 1 A 100 100 LEU H H 723 9.277 8.657 0.620 1
1 1025 . 20 1 1 A 100 100 LEU CA C 723 55.397 55.551 -0.154 1
1 1026 . 20 1 1 A 100 100 LEU HA H 723 4.566 4.499 0.067 1
1 1027 . 20 1 1 A 100 100 LEU CB C 723 43.862 44.159 -0.297 1
1 1040 . 20 1 1 A 101 101 ALA N N 724 123.211 120.851 2.360 1
1 1041 . 20 1 1 A 101 101 ALA H H 724 8.577 7.307 1.270 1
1 1042 . 20 1 1 A 101 101 ALA CA C 724 52.591 51.273 1.318 1
1 1043 . 20 1 1 A 101 101 ALA HA H 724 4.392 4.436 -0.044 1
1 1044 . 20 1 1 A 101 101 ALA CB C 724 19.262 20.314 -1.052 1
1 1048 . 20 1 1 A 102 102 THR N N 725 112.189 110.289 1.900 1
1 1049 . 20 1 1 A 102 102 THR H H 725 8.069 8.402 -0.333 1
1 1050 . 20 1 1 A 102 102 THR CA C 725 61.802 60.691 1.111 1
1 1051 . 20 1 1 A 102 102 THR HA H 725 4.366 4.757 -0.391 1
1 1052 . 20 1 1 A 102 102 THR CB C 725 69.684 69.053 0.631 1
1 1058 . 20 1 1 A 103 103 ASP N N 726 121.846 123.917 -2.071 1
1 1059 . 20 1 1 A 103 103 ASP H H 726 8.195 7.603 0.592 1
1 1060 . 20 1 1 A 103 103 ASP CA C 726 54.057 54.590 -0.533 1
1 1061 . 20 1 1 A 103 103 ASP HA H 726 4.681 4.622 0.059 1
1 1062 . 20 1 1 A 103 103 ASP CB C 726 41.228 40.699 0.529 1
1 1064 . 20 1 1 A 104 104 SER N N 727 116.230 119.160 -2.930 1
1 1065 . 20 1 1 A 104 104 SER H H 727 8.260 8.731 -0.471 1
1 1066 . 20 1 1 A 104 104 SER CA C 727 58.945 57.346 1.599 1
1 1067 . 20 1 1 A 104 104 SER HA H 727 4.468 4.544 -0.076 1
1 1068 . 20 1 1 A 104 104 SER CB C 727 63.856 62.916 0.940 1
1 1070 . 20 1 1 A 105 105 THR N N 728 115.362 110.901 4.461 1
1 1071 . 20 1 1 A 105 105 THR H H 728 8.205 8.091 0.114 1
1 1072 . 20 1 1 A 105 105 THR CA C 728 62.744 62.867 -0.123 1
1 1073 . 20 1 1 A 105 105 THR HA H 728 4.238 3.993 0.245 1
1 1074 . 20 1 1 A 105 105 THR CB C 728 69.490 66.013 3.477 1
1 1080 . 20 1 1 A 106 106 PHE N N 729 121.735 120.209 1.526 1
1 1081 . 20 1 1 A 106 106 PHE H H 729 8.047 7.991 0.056 1
1 1082 . 20 1 1 A 106 106 PHE CA C 729 57.966 58.008 -0.042 1
1 1083 . 20 1 1 A 106 106 PHE HA H 729 4.626 4.742 -0.116 1
1 1084 . 20 1 1 A 106 106 PHE CB C 729 39.633 41.503 -1.870 1
1 1090 . 20 1 1 A 107 107 SER N N 730 116.751 115.800 0.951 1
1 1091 . 20 1 1 A 107 107 SER H H 730 7.962 8.023 -0.061 1
1 1092 . 20 1 1 A 107 107 SER CA C 730 57.921 61.832 -3.911 1
1 1093 . 20 1 1 A 107 107 SER HA H 730 4.413 4.328 0.085 1
1 1094 . 20 1 1 A 107 107 SER CB C 730 63.659 63.087 0.572 1
1 1097 . 20 1 1 A 108 108 LEU N N 731 123.373 117.602 5.771 1
1 1098 . 20 1 1 A 108 108 LEU H H 731 8.212 7.991 0.221 1
1 1099 . 20 1 1 A 108 108 LEU CA C 731 55.650 57.456 -1.806 1
1 1100 . 20 1 1 A 108 108 LEU HA H 731 4.265 4.177 0.088 1
1 1101 . 20 1 1 A 108 108 LEU CB C 731 42.257 41.717 0.540 1
1 1113 . 20 1 1 A 109 109 ASP N N 732 118.496 118.395 0.101 1
1 1114 . 20 1 1 A 109 109 ASP H H 732 8.172 8.479 -0.307 1
1 1115 . 20 1 1 A 109 109 ASP CA C 732 54.239 53.725 0.514 1
1 1116 . 20 1 1 A 109 109 ASP HA H 732 4.566 4.889 -0.323 1
1 1117 . 20 1 1 A 109 109 ASP CB C 732 41.124 42.429 -1.305 1
1 1120 . 20 1 1 A 110 110 GLN N N 733 119.403 121.694 -2.291 1
1 1121 . 20 1 1 A 110 110 GLN H H 733 7.707 7.548 0.159 1
1 1122 . 20 1 1 A 110 110 GLN CA C 733 53.251 54.091 -0.840 1
1 1123 . 20 1 1 A 110 110 GLN HA H 733 4.675 3.894 0.781 1
1 1124 . 20 1 1 A 110 110 GLN CB C 733 29.061 29.605 -0.544 1
1 1129 . 20 1 1 A 111 111 PRO CA C 734 63.869 63.767 0.102 1
1 1130 . 20 1 1 A 111 111 PRO HA H 734 4.435 4.326 0.109 1
1 1131 . 20 1 1 A 111 111 PRO CB C 734 31.900 31.925 -0.025 1
1 1139 . 20 1 1 A 112 112 GLY N N 735 109.783 106.887 2.896 1
1 1140 . 20 1 1 A 112 112 GLY H H 735 8.510 7.289 1.221 1
1 1141 . 20 1 1 A 112 112 GLY CA C 735 44.954 45.580 -0.626 1
1 1142 . 20 1 1 A 112 112 GLY HA3 H 735 3.903 4.030 -0.127 1
1 1143 . 20 1 1 A 112 112 GLY HA2 H 735 3.994 4.029 -0.035 1
1 1144 . 20 1 1 A 113 113 GLY N N 736 108.485 107.911 0.574 1
1 1145 . 20 1 1 A 113 113 GLY H H 736 8.138 8.231 -0.093 1
1 1146 . 20 1 1 A 113 113 GLY CA C 736 44.755 44.014 0.741 1
1 1147 . 20 1 1 A 113 113 GLY HA3 H 736 3.899 4.001 -0.102 1
1 1148 . 20 1 1 A 113 113 GLY HA2 H 736 3.964 4.001 -0.037 1
1 1149 . 20 1 1 A 114 114 THR N N 737 116.361 114.681 1.680 1
1 1150 . 20 1 1 A 114 114 THR H H 737 7.951 8.421 -0.470 1
1 1151 . 20 1 1 A 114 114 THR CA C 737 62.508 61.068 1.440 1
1 1152 . 20 1 1 A 114 114 THR HA H 737 4.189 5.169 -0.980 1
1 1153 . 20 1 1 A 114 114 THR CB C 737 69.780 73.071 -3.291 1
1 1159 . 20 1 1 A 115 115 LEU N N 738 125.899 124.729 1.170 1
1 1160 . 20 1 1 A 115 115 LEU H H 738 8.575 8.648 -0.073 1
1 1161 . 20 1 1 A 115 115 LEU CA C 738 54.534 53.358 1.176 1
1 1162 . 20 1 1 A 115 115 LEU HA H 738 4.452 5.302 -0.850 1
1 1163 . 20 1 1 A 115 115 LEU CB C 738 45.506 45.253 0.253 1
1 1176 . 20 1 1 A 116 116 ASP N N 739 115.416 121.617 -6.201 1
1 1177 . 20 1 1 A 116 116 ASP H H 739 6.819 8.721 -1.902 1
1 1178 . 20 1 1 A 116 116 ASP CA C 739 52.606 52.861 -0.255 1
1 1179 . 20 1 1 A 116 116 ASP HA H 739 4.472 4.806 -0.334 1
1 1180 . 20 1 1 A 116 116 ASP CB C 739 42.811 42.188 0.623 1
1 1183 . 20 1 1 A 117 117 LEU N N 740 115.281 119.804 -4.523 1
1 1184 . 20 1 1 A 117 117 LEU H H 740 8.213 8.602 -0.389 1
1 1185 . 20 1 1 A 117 117 LEU CA C 740 57.750 57.843 -0.093 1
1 1186 . 20 1 1 A 117 117 LEU HA H 740 3.841 3.874 -0.033 1
1 1187 . 20 1 1 A 117 117 LEU CB C 740 42.005 41.475 0.530 1
1 1200 . 20 1 1 A 118 118 THR N N 741 116.995 109.824 7.171 1
1 1201 . 20 1 1 A 118 118 THR H H 741 8.152 8.247 -0.095 1
1 1202 . 20 1 1 A 118 118 THR CA C 741 68.068 65.707 2.361 1
1 1203 . 20 1 1 A 118 118 THR HA H 741 4.054 4.273 -0.219 1
1 1204 . 20 1 1 A 118 118 THR CB C 741 68.392 68.456 -0.064 1
1 1210 . 20 1 1 A 119 119 LEU N N 742 127.180 123.876 3.304 1
1 1211 . 20 1 1 A 119 119 LEU H H 742 8.804 7.975 0.829 1
1 1212 . 20 1 1 A 119 119 LEU CA C 742 58.460 58.492 -0.032 1
1 1213 . 20 1 1 A 119 119 LEU HA H 742 4.214 3.942 0.272 1
1 1214 . 20 1 1 A 119 119 LEU CB C 742 42.491 42.121 0.370 1
1 1227 . 20 1 1 A 120 120 ILE N N 743 120.880 119.237 1.643 1
1 1228 . 20 1 1 A 120 120 ILE H H 743 7.884 8.185 -0.301 1
1 1229 . 20 1 1 A 120 120 ILE CA C 743 65.546 65.108 0.438 1
1 1230 . 20 1 1 A 120 120 ILE HA H 743 4.101 3.562 0.539 1
1 1231 . 20 1 1 A 120 120 ILE CB C 743 38.693 37.616 1.077 1
1 1244 . 20 1 1 A 121 121 ARG N N 744 119.772 122.014 -2.242 1
1 1245 . 20 1 1 A 121 121 ARG H H 744 8.792 8.966 -0.174 1
1 1246 . 20 1 1 A 121 121 ARG CA C 744 60.369 59.593 0.776 1
1 1247 . 20 1 1 A 121 121 ARG HA H 744 3.896 3.770 0.126 1
1 1248 . 20 1 1 A 121 121 ARG CB C 744 30.241 30.114 0.127 1
1 1257 . 20 1 1 A 122 122 ALA N N 745 120.978 122.237 -1.259 1
1 1258 . 20 1 1 A 122 122 ALA H H 745 8.303 8.124 0.179 1
1 1259 . 20 1 1 A 122 122 ALA CA C 745 55.203 55.317 -0.114 1
1 1260 . 20 1 1 A 122 122 ALA HA H 745 4.246 3.931 0.315 1
1 1261 . 20 1 1 A 122 122 ALA CB C 745 18.005 17.958 0.047 1
1 1265 . 20 1 1 A 123 123 ARG N N 746 119.408 118.427 0.981 1
1 1266 . 20 1 1 A 123 123 ARG H H 746 8.224 7.340 0.884 1
1 1267 . 20 1 1 A 123 123 ARG CA C 746 59.895 58.933 0.962 1
1 1268 . 20 1 1 A 123 123 ARG HA H 746 4.335 3.880 0.455 1
1 1269 . 20 1 1 A 123 123 ARG CB C 746 29.768 29.250 0.518 1
1 1279 . 20 1 1 A 124 124 LEU N N 747 125.115 120.367 4.748 1
1 1280 . 20 1 1 A 124 124 LEU H H 747 9.029 8.481 0.548 1
1 1281 . 20 1 1 A 124 124 LEU CA C 747 57.559 58.191 -0.632 1
1 1282 . 20 1 1 A 124 124 LEU HA H 747 4.925 4.474 0.451 1
1 1283 . 20 1 1 A 124 124 LEU CB C 747 42.721 41.746 0.975 1
1 1296 . 20 1 1 A 125 125 GLN N N 748 114.117 116.542 -2.425 1
1 1297 . 20 1 1 A 125 125 GLN H H 748 8.418 8.031 0.387 1
1 1298 . 20 1 1 A 125 125 GLN CA C 748 55.664 55.840 -0.176 1
1 1299 . 20 1 1 A 125 125 GLN HA H 748 4.444 4.314 0.130 1
1 1300 . 20 1 1 A 125 125 GLN CB C 748 29.301 29.218 0.083 1
1 1309 . 20 1 1 A 126 126 GLU N N 749 113.381 118.242 -4.861 1
1 1310 . 20 1 1 A 126 126 GLU H H 749 7.978 8.383 -0.405 1
1 1311 . 20 1 1 A 126 126 GLU CA C 749 57.789 57.831 -0.042 1
1 1312 . 20 1 1 A 126 126 GLU HA H 749 4.156 3.963 0.193 1
1 1313 . 20 1 1 A 126 126 GLU CB C 749 25.906 29.501 -3.595 1
1 1318 . 20 1 1 A 127 127 LYS N N 750 116.557 120.627 -4.070 1
1 1319 . 20 1 1 A 127 127 LYS H H 750 8.538 8.049 0.489 1
1 1320 . 20 1 1 A 127 127 LYS CA C 750 56.417 59.078 -2.661 1
1 1321 . 20 1 1 A 127 127 LYS HA H 750 4.344 4.130 0.214 1
1 1322 . 20 1 1 A 127 127 LYS CB C 750 33.029 32.292 0.737 1
1 1332 . 20 1 1 A 128 128 LEU N N 751 119.986 120.906 -0.920 1
1 1333 . 20 1 1 A 128 128 LEU H H 751 6.949 7.870 -0.921 1
1 1334 . 20 1 1 A 128 128 LEU CA C 751 53.476 58.281 -4.805 1
1 1335 . 20 1 1 A 128 128 LEU HA H 751 4.532 3.978 0.554 1
1 1336 . 20 1 1 A 128 128 LEU CB C 751 45.503 42.124 3.379 1
1 1349 . 20 1 1 A 129 129 SER N N 752 118.455 111.859 6.596 1
1 1350 . 20 1 1 A 129 129 SER H H 752 8.225 7.866 0.359 1
1 1351 . 20 1 1 A 129 129 SER CA C 752 56.129 58.865 -2.736 1
1 1352 . 20 1 1 A 129 129 SER HA H 752 4.434 4.681 -0.247 1
1 1353 . 20 1 1 A 129 129 SER CB C 752 63.911 65.947 -2.036 1
1 1356 . 20 1 1 A 130 130 PRO CA C 753 61.355 63.787 -2.432 1
1 1357 . 20 1 1 A 130 130 PRO HA H 753 5.026 4.584 0.442 1
1 1358 . 20 1 1 A 130 130 PRO CB C 753 32.831 33.002 -0.171 1
1 1366 . 20 1 1 A 131 131 PRO CA C 754 62.470 63.290 -0.820 1
1 1367 . 20 1 1 A 131 131 PRO HA H 754 4.651 4.122 0.529 1
1 1368 . 20 1 1 A 131 131 PRO CB C 754 32.403 32.294 0.109 1
1 1377 . 20 1 1 A 132 132 TYR N N 755 121.321 121.736 -0.415 1
1 1378 . 20 1 1 A 132 132 TYR H H 755 9.635 7.964 1.671 1
1 1379 . 20 1 1 A 132 132 TYR CA C 755 60.382 56.599 3.783 1
1 1380 . 20 1 1 A 132 132 TYR HA H 755 4.433 4.847 -0.414 1
1 1381 . 20 1 1 A 132 132 TYR CB C 755 38.713 38.723 -0.010 1
1 1388 . 20 1 1 A 133 133 SER N N 756 114.917 116.234 -1.317 1
1 1389 . 20 1 1 A 133 133 SER H H 756 9.343 8.119 1.224 1
1 1390 . 20 1 1 A 133 133 SER CA C 756 58.776 57.568 1.208 1
1 1391 . 20 1 1 A 133 133 SER HA H 756 4.430 4.847 -0.417 1
1 1392 . 20 1 1 A 133 133 SER CB C 756 64.839 64.683 0.156 1
1 1394 . 20 1 1 A 134 134 SER N N 757 112.021 114.576 -2.555 1
1 1395 . 20 1 1 A 134 134 SER H H 757 7.500 7.219 0.281 1
1 1396 . 20 1 1 A 134 134 SER CA C 757 56.158 56.801 -0.643 1
1 1397 . 20 1 1 A 134 134 SER HA H 757 4.950 4.628 0.322 1
1 1398 . 20 1 1 A 134 134 SER CB C 757 63.906 66.023 -2.117 1
1 1401 . 20 1 1 A 135 135 PRO CA C 758 64.159 64.845 -0.686 1
1 1402 . 20 1 1 A 135 135 PRO HA H 758 4.132 3.263 0.869 1
1 1403 . 20 1 1 A 135 135 PRO CB C 758 31.649 31.669 -0.020 1
1 1412 . 20 1 1 A 136 136 GLN N N 759 116.382 117.407 -1.025 1
1 1413 . 20 1 1 A 136 136 GLN H H 759 8.067 8.128 -0.061 1
1 1414 . 20 1 1 A 136 136 GLN CA C 759 59.483 58.966 0.517 1
1 1415 . 20 1 1 A 136 136 GLN HA H 759 3.963 3.988 -0.025 1
1 1416 . 20 1 1 A 136 136 GLN CB C 759 27.414 28.562 -1.148 1
1 1425 . 20 1 1 A 137 137 GLU N N 760 121.764 119.021 2.743 1
1 1426 . 20 1 1 A 137 137 GLU H H 760 7.826 8.357 -0.531 1
1 1427 . 20 1 1 A 137 137 GLU CA C 760 59.184 59.534 -0.350 1
1 1428 . 20 1 1 A 137 137 GLU HA H 760 4.063 4.122 -0.059 1
1 1429 . 20 1 1 A 137 137 GLU CB C 760 30.403 29.989 0.414 1
1 1435 . 20 1 1 A 138 138 PHE N N 761 120.582 119.563 1.019 1
1 1436 . 20 1 1 A 138 138 PHE H H 761 6.900 7.644 -0.744 1
1 1437 . 20 1 1 A 138 138 PHE CA C 761 60.105 61.052 -0.947 1
1 1438 . 20 1 1 A 138 138 PHE HA H 761 3.604 4.344 -0.740 1
1 1439 . 20 1 1 A 138 138 PHE CB C 761 38.271 38.964 -0.693 1
1 1448 . 20 1 1 A 139 139 ALA N N 762 120.917 122.437 -1.520 1
1 1449 . 20 1 1 A 139 139 ALA H H 762 8.399 8.294 0.105 1
1 1450 . 20 1 1 A 139 139 ALA CA C 762 54.940 55.296 -0.356 1
1 1451 . 20 1 1 A 139 139 ALA HA H 762 3.804 4.319 -0.515 1
1 1452 . 20 1 1 A 139 139 ALA CB C 762 18.001 18.660 -0.659 1
1 1456 . 20 1 1 A 140 140 GLN N N 763 119.041 117.497 1.544 1
1 1457 . 20 1 1 A 140 140 GLN H H 763 8.436 7.838 0.598 1
1 1458 . 20 1 1 A 140 140 GLN CA C 763 58.474 58.474 0.000 1
1 1459 . 20 1 1 A 140 140 GLN HA H 763 4.056 4.091 -0.035 1
1 1460 . 20 1 1 A 140 140 GLN CB C 763 28.345 28.403 -0.058 1
1 1469 . 20 1 1 A 141 141 ASP N N 764 122.985 119.283 3.702 1
1 1470 . 20 1 1 A 141 141 ASP H H 764 7.694 8.387 -0.693 1
1 1471 . 20 1 1 A 141 141 ASP CA C 764 57.087 56.242 0.845 1
1 1472 . 20 1 1 A 141 141 ASP HA H 764 4.517 4.476 0.041 1
1 1473 . 20 1 1 A 141 141 ASP CB C 764 39.897 40.896 -0.999 1
1 1476 . 20 1 1 A 142 142 VAL N N 765 119.630 119.460 0.170 1
1 1477 . 20 1 1 A 142 142 VAL H H 765 7.431 7.770 -0.339 1
1 1478 . 20 1 1 A 142 142 VAL CA C 765 66.489 65.056 1.433 1
1 1479 . 20 1 1 A 142 142 VAL HA H 765 2.740 3.679 -0.939 1
1 1480 . 20 1 1 A 142 142 VAL CB C 765 30.729 32.365 -1.636 1
1 1490 . 20 1 1 A 143 143 GLY N N 766 104.089 108.275 -4.186 1
1 1491 . 20 1 1 A 143 143 GLY H H 766 8.089 8.558 -0.469 1
1 1492 . 20 1 1 A 143 143 GLY CA C 766 47.271 46.594 0.677 1
1 1493 . 20 1 1 A 143 143 GLY HA3 H 766 3.783 3.782 0.001 1
1 1494 . 20 1 1 A 143 143 GLY HA2 H 766 3.870 3.752 0.118 1
1 1495 . 20 1 1 A 144 144 ARG N N 767 123.406 122.021 1.385 1
1 1496 . 20 1 1 A 144 144 ARG H H 767 8.270 7.569 0.701 1
1 1497 . 20 1 1 A 144 144 ARG CA C 767 59.627 59.123 0.504 1
1 1498 . 20 1 1 A 144 144 ARG HA H 767 4.026 4.085 -0.059 1
1 1499 . 20 1 1 A 144 144 ARG CB C 767 30.003 30.442 -0.439 1
1 1507 . 20 1 1 A 145 145 MET N N 768 121.310 118.790 2.520 1
1 1508 . 20 1 1 A 145 145 MET H H 768 8.053 8.007 0.046 1
1 1509 . 20 1 1 A 145 145 MET CA C 768 58.727 58.461 0.266 1
1 1510 . 20 1 1 A 145 145 MET HA H 768 3.932 3.974 -0.042 1
1 1511 . 20 1 1 A 145 145 MET CB C 768 31.536 32.261 -0.725 1
1 1521 . 20 1 1 A 146 146 PHE N N 769 117.125 118.152 -1.027 1
1 1522 . 20 1 1 A 146 146 PHE H H 769 8.005 8.467 -0.462 1
1 1523 . 20 1 1 A 146 146 PHE CA C 769 59.441 61.675 -2.234 1
1 1524 . 20 1 1 A 146 146 PHE HA H 769 4.582 4.661 -0.079 1
1 1525 . 20 1 1 A 146 146 PHE CB C 769 37.558 38.523 -0.965 1
1 1534 . 20 1 1 A 147 147 LYS N N 770 119.226 120.377 -1.151 1
1 1535 . 20 1 1 A 147 147 LYS H H 770 8.078 7.838 0.240 1
1 1536 . 20 1 1 A 147 147 LYS CA C 770 59.479 59.721 -0.242 1
1 1537 . 20 1 1 A 147 147 LYS HA H 770 4.153 3.970 0.183 1
1 1538 . 20 1 1 A 147 147 LYS CB C 770 32.336 32.282 0.054 1
1 1547 . 20 1 1 A 148 148 GLN N N 771 118.870 118.356 0.514 1
1 1548 . 20 1 1 A 148 148 GLN H H 771 8.338 8.378 -0.040 1
1 1549 . 20 1 1 A 148 148 GLN CA C 771 58.440 58.431 0.009 1
1 1550 . 20 1 1 A 148 148 GLN HA H 771 4.140 4.087 0.053 1
1 1551 . 20 1 1 A 148 148 GLN CB C 771 28.382 28.488 -0.106 1
1 1560 . 20 1 1 A 149 149 PHE N N 772 120.162 121.026 -0.864 1
1 1561 . 20 1 1 A 149 149 PHE H H 772 8.411 9.163 -0.752 1
1 1562 . 20 1 1 A 149 149 PHE CA C 772 60.460 61.764 -1.304 1
1 1563 . 20 1 1 A 149 149 PHE HA H 772 4.433 4.084 0.349 1
1 1564 . 20 1 1 A 149 149 PHE CB C 772 39.428 39.279 0.149 1
1 1573 . 20 1 1 A 150 150 ASN N N 773 117.836 116.897 0.939 1
1 1574 . 20 1 1 A 150 150 ASN H H 773 8.279 8.971 -0.692 1
1 1575 . 20 1 1 A 150 150 ASN HA H 773 4.375 4.440 -0.065 1
1 1576 . 20 1 1 A 150 150 ASN CB C 773 38.977 38.158 0.819 1
1 1582 . 20 1 1 A 151 151 LYS N N 774 118.045 119.585 -1.540 1
1 1583 . 20 1 1 A 151 151 LYS H H 774 7.648 8.033 -0.385 1
1 1584 . 20 1 1 A 151 151 LYS CA C 774 57.563 58.008 -0.445 1
1 1585 . 20 1 1 A 151 151 LYS HA H 774 4.225 4.074 0.151 1
1 1586 . 20 1 1 A 151 151 LYS CB C 774 32.333 32.374 -0.041 1
1 1595 . 20 1 1 A 152 152 LEU N N 775 119.031 119.282 -0.251 1
1 1596 . 20 1 1 A 152 152 LEU H H 775 7.825 8.139 -0.314 1
1 1597 . 20 1 1 A 152 152 LEU CA C 775 55.990 57.796 -1.806 1
1 1598 . 20 1 1 A 152 152 LEU HA H 775 4.270 4.045 0.225 1
1 1599 . 20 1 1 A 152 152 LEU CB C 775 42.487 41.839 0.648 1
1 1612 . 20 1 1 A 153 153 THR N N 776 110.107 112.180 -2.073 1
1 1613 . 20 1 1 A 153 153 THR H H 776 7.525 8.049 -0.524 1
1 1614 . 20 1 1 A 153 153 THR CA C 776 61.535 62.684 -1.149 1
1 1615 . 20 1 1 A 153 153 THR HA H 776 4.332 3.891 0.441 1
1 1616 . 20 1 1 A 153 153 THR CB C 776 69.570 66.404 3.166 1
1 1622 . 20 1 1 A 154 154 GLU N N 777 122.427 122.176 0.251 1
1 1623 . 20 1 1 A 154 154 GLU H H 777 8.027 8.306 -0.279 1
1 1624 . 20 1 1 A 154 154 GLU CA C 777 57.720 59.218 -1.498 1
1 1625 . 20 1 1 A 154 154 GLU HA H 777 4.216 4.095 0.121 1
1 1626 . 20 1 1 A 154 154 GLU CB C 777 29.977 28.980 0.997 1
1 1631 . 20 1 1 A 155 155 ASP N N 778 119.283 118.159 1.124 1
1 1632 . 20 1 1 A 155 155 ASP H H 778 8.372 7.887 0.485 1
1 1633 . 20 1 1 A 155 155 ASP CA C 778 54.709 56.028 -1.319 1
1 1634 . 20 1 1 A 155 155 ASP HA H 778 4.602 4.512 0.090 1
1 1635 . 20 1 1 A 155 155 ASP CB C 778 40.600 41.235 -0.635 1
1 1638 . 20 1 1 A 156 156 LYS N N 779 120.684 118.552 2.132 1
1 1639 . 20 1 1 A 156 156 LYS H H 779 8.068 7.818 0.250 1
1 1640 . 20 1 1 A 156 156 LYS CA C 779 56.388 58.090 -1.702 1
1 1641 . 20 1 1 A 156 156 LYS HA H 779 4.333 4.156 0.177 1
1 1642 . 20 1 1 A 156 156 LYS CB C 779 32.814 31.936 0.878 1
1 1651 . 20 1 1 A 157 157 ALA N N 780 123.182 120.946 2.236 1
1 1652 . 20 1 1 A 157 157 ALA H H 780 8.197 8.795 -0.598 1
1 1653 . 20 1 1 A 157 157 ALA CA C 780 52.591 53.736 -1.145 1
1 1654 . 20 1 1 A 157 157 ALA HA H 780 4.337 3.987 0.350 1
1 1655 . 20 1 1 A 157 157 ALA CB C 780 19.186 18.274 0.912 1
1 1659 . 20 1 1 A 158 158 ASP N N 781 118.794 116.640 2.154 1
1 1660 . 20 1 1 A 158 158 ASP H H 781 8.222 7.978 0.244 1
1 1661 . 20 1 1 A 158 158 ASP CA C 781 54.003 53.203 0.800 1
1 1662 . 20 1 1 A 158 158 ASP HA H 781 4.673 4.867 -0.194 1
1 1663 . 20 1 1 A 158 158 ASP CB C 781 41.075 42.267 -1.192 1
1 1666 . 20 1 1 A 159 159 VAL N N 782 120.713 119.573 1.140 1
1 1667 . 20 1 1 A 159 159 VAL H H 782 8.039 7.647 0.392 1
1 1668 . 20 1 1 A 159 159 VAL CA C 782 63.898 65.234 -1.336 1
1 1669 . 20 1 1 A 159 159 VAL HA H 782 4.028 3.703 0.325 1
1 1670 . 20 1 1 A 159 159 VAL CB C 782 32.181 31.095 1.086 1
1 1680 . 20 1 1 A 160 160 GLN N N 783 120.756 121.102 -0.346 1
1 1681 . 20 1 1 A 160 160 GLN H H 783 8.370 7.914 0.456 1
1 1682 . 20 1 1 A 160 160 GLN CA C 783 57.563 56.501 1.062 1
1 1683 . 20 1 1 A 160 160 GLN HA H 783 4.219 4.204 0.015 1
1 1684 . 20 1 1 A 160 160 GLN CB C 783 28.410 28.731 -0.321 1
1 1691 . 20 1 1 A 161 161 SER N N 784 116.111 114.156 1.955 1
1 1692 . 20 1 1 A 161 161 SER H H 784 8.190 7.969 0.221 1
1 1693 . 20 1 1 A 161 161 SER CA C 784 60.089 60.667 -0.578 1
1 1694 . 20 1 1 A 161 161 SER HA H 784 4.361 4.453 -0.092 1
1 1695 . 20 1 1 A 161 161 SER CB C 784 62.955 63.743 -0.788 1
1 1698 . 20 1 1 A 162 162 ILE N N 785 122.105 122.433 -0.328 1
1 1699 . 20 1 1 A 162 162 ILE H H 785 8.014 7.614 0.400 1
1 1700 . 20 1 1 A 162 162 ILE CA C 785 62.963 64.709 -1.746 1
1 1701 . 20 1 1 A 162 162 ILE HA H 785 3.986 3.372 0.614 1
1 1702 . 20 1 1 A 162 162 ILE CB C 785 37.568 37.653 -0.085 1
1 1715 . 20 1 1 A 163 163 ILE N N 786 122.150 120.339 1.811 1
1 1716 . 20 1 1 A 163 163 ILE H H 786 7.913 8.764 -0.851 1
1 1717 . 20 1 1 A 163 163 ILE CA C 786 64.074 64.740 -0.666 1
1 1718 . 20 1 1 A 163 163 ILE HA H 786 3.947 3.681 0.266 1
1 1719 . 20 1 1 A 163 163 ILE CB C 786 37.561 37.405 0.156 1
1 1732 . 20 1 1 A 164 164 GLY N N 787 107.177 108.705 -1.528 1
1 1733 . 20 1 1 A 164 164 GLY H H 787 8.057 8.275 -0.218 1
1 1734 . 20 1 1 A 164 164 GLY CA C 787 46.938 47.345 -0.407 1
1 1735 . 20 1 1 A 164 164 GLY HA3 H 787 3.907 3.739 0.168 1
1 1736 . 20 1 1 A 164 164 GLY HA2 H 787 4.007 3.732 0.275 1
1 1737 . 20 1 1 A 165 165 LEU N N 788 123.590 122.435 1.155 1
1 1738 . 20 1 1 A 165 165 LEU H H 788 7.676 7.954 -0.278 1
1 1739 . 20 1 1 A 165 165 LEU CA C 788 57.738 57.681 0.057 1
1 1740 . 20 1 1 A 165 165 LEU HA H 788 4.052 4.169 -0.117 1
1 1741 . 20 1 1 A 165 165 LEU CB C 788 40.833 41.486 -0.653 1
1 1753 . 20 1 1 A 166 166 GLN N N 789 119.114 116.767 2.347 1
1 1754 . 20 1 1 A 166 166 GLN H H 789 7.956 8.298 -0.342 1
1 1755 . 20 1 1 A 166 166 GLN CA C 789 59.445 58.908 0.537 1
1 1756 . 20 1 1 A 166 166 GLN HA H 789 3.844 3.030 0.814 1
1 1757 . 20 1 1 A 166 166 GLN CB C 789 27.826 28.025 -0.199 1
1 1765 . 20 1 1 A 167 167 ARG N N 790 118.851 119.394 -0.543 1
1 1766 . 20 1 1 A 167 167 ARG H H 790 8.387 7.929 0.458 1
1 1767 . 20 1 1 A 167 167 ARG CA C 790 58.942 58.822 0.120 1
1 1768 . 20 1 1 A 167 167 ARG HA H 790 4.191 4.094 0.097 1
1 1769 . 20 1 1 A 167 167 ARG CB C 790 29.829 30.493 -0.664 1
1 1776 . 20 1 1 A 168 168 PHE N N 791 122.408 121.030 1.378 1
1 1777 . 20 1 1 A 168 168 PHE H H 791 8.127 8.392 -0.265 1
1 1778 . 20 1 1 A 168 168 PHE CA C 791 61.976 61.594 0.382 1
1 1779 . 20 1 1 A 168 168 PHE HA H 791 4.164 4.261 -0.097 1
1 1780 . 20 1 1 A 168 168 PHE CB C 791 38.894 39.480 -0.586 1
1 1788 . 20 1 1 A 169 169 PHE N N 792 119.223 120.796 -1.573 1
1 1789 . 20 1 1 A 169 169 PHE H H 792 8.500 9.054 -0.554 1
1 1790 . 20 1 1 A 169 169 PHE CA C 792 61.093 62.169 -1.076 1
1 1791 . 20 1 1 A 169 169 PHE HA H 792 4.053 4.462 -0.409 1
1 1792 . 20 1 1 A 169 169 PHE CB C 792 39.182 39.790 -0.608 1
1 1800 . 20 1 1 A 170 170 GLU N N 793 119.089 118.123 0.966 1
1 1801 . 20 1 1 A 170 170 GLU H H 793 8.718 8.331 0.387 1
1 1802 . 20 1 1 A 170 170 GLU CA C 793 59.843 59.336 0.507 1
1 1803 . 20 1 1 A 170 170 GLU HA H 793 3.483 3.769 -0.286 1
1 1804 . 20 1 1 A 170 170 GLU CB C 793 29.372 29.445 -0.073 1
1 1810 . 20 1 1 A 171 171 THR N N 794 115.081 118.486 -3.405 1
1 1811 . 20 1 1 A 171 171 THR H H 794 8.205 8.051 0.154 1
1 1812 . 20 1 1 A 171 171 THR CA C 794 66.661 66.810 -0.149 1
1 1813 . 20 1 1 A 171 171 THR HA H 794 3.935 3.954 -0.019 1
1 1814 . 20 1 1 A 171 171 THR CB C 794 68.604 68.661 -0.057 1
1 1820 . 20 1 1 A 172 172 ARG N N 795 120.165 120.688 -0.523 1
1 1821 . 20 1 1 A 172 172 ARG H H 795 7.776 7.727 0.049 1
1 1822 . 20 1 1 A 172 172 ARG CA C 795 57.535 59.279 -1.744 1
1 1823 . 20 1 1 A 172 172 ARG HA H 795 4.030 4.173 -0.143 1
1 1824 . 20 1 1 A 172 172 ARG CB C 795 29.886 30.279 -0.393 1
1 1828 . 20 1 1 A 173 173 MET N N 796 120.347 119.350 0.997 1
1 1829 . 20 1 1 A 173 173 MET H H 796 8.503 8.464 0.039 1
1 1830 . 20 1 1 A 173 173 MET CA C 796 57.453 57.754 -0.301 1
1 1831 . 20 1 1 A 173 173 MET HA H 796 4.383 4.204 0.179 1
1 1832 . 20 1 1 A 173 173 MET CB C 796 30.469 31.884 -1.415 1
1 1840 . 20 1 1 A 174 174 ASN N N 797 119.200 118.351 0.849 1
1 1841 . 20 1 1 A 174 174 ASN H H 797 8.351 7.637 0.714 1
1 1842 . 20 1 1 A 174 174 ASN CA C 797 55.851 55.718 0.133 1
1 1843 . 20 1 1 A 174 174 ASN HA H 797 4.510 4.606 -0.096 1
1 1844 . 20 1 1 A 174 174 ASN CB C 797 38.213 39.020 -0.807 1
1 1850 . 20 1 1 A 175 175 GLU N N 798 119.589 118.797 0.792 1
1 1851 . 20 1 1 A 175 175 GLU H H 798 7.896 8.620 -0.724 1
1 1852 . 20 1 1 A 175 175 GLU CA C 798 59.033 58.322 0.711 1
1 1853 . 20 1 1 A 175 175 GLU HA H 798 3.967 4.157 -0.190 1
1 1854 . 20 1 1 A 175 175 GLU CB C 798 29.296 29.403 -0.107 1
1 1860 . 20 1 1 A 176 176 ALA N N 799 116.937 122.411 -5.474 1
1 1861 . 20 1 1 A 176 176 ALA H H 799 8.030 7.903 0.127 1
1 1862 . 20 1 1 A 176 176 ALA CA C 799 54.179 54.784 -0.605 1
1 1863 . 20 1 1 A 176 176 ALA HA H 799 4.085 4.052 0.033 1
1 1864 . 20 1 1 A 176 176 ALA CB C 799 19.432 19.159 0.273 1
1 1868 . 20 1 1 A 177 177 PHE N N 800 112.840 115.450 -2.610 1
1 1869 . 20 1 1 A 177 177 PHE H H 800 8.544 8.159 0.385 1
1 1870 . 20 1 1 A 177 177 PHE CA C 800 59.182 59.571 -0.389 1
1 1871 . 20 1 1 A 177 177 PHE HA H 800 4.515 4.459 0.056 1
1 1872 . 20 1 1 A 177 177 PHE CB C 800 39.642 37.932 1.710 1
1 1881 . 20 1 1 A 178 178 GLY N N 801 110.339 107.428 2.911 1
1 1882 . 20 1 1 A 178 178 GLY H H 801 7.974 7.943 0.031 1
1 1883 . 20 1 1 A 178 178 GLY CA C 801 45.607 46.189 -0.582 1
1 1884 . 20 1 1 A 178 178 GLY HA3 H 801 3.988 4.038 -0.050 1
1 1885 . 20 1 1 A 178 178 GLY HA2 H 801 4.031 4.037 -0.006 1
1 1886 . 20 1 1 A 179 179 ASP N N 802 119.627 118.085 1.542 1
1 1887 . 20 1 1 A 179 179 ASP H H 802 8.185 7.539 0.646 1
1 1888 . 20 1 1 A 179 179 ASP CA C 802 53.949 54.349 -0.400 1
1 1889 . 20 1 1 A 179 179 ASP HA H 802 4.679 4.693 -0.014 1
1 1890 . 20 1 1 A 179 179 ASP CB C 802 41.070 43.959 -2.889 1
1 1892 . 20 1 1 A 180 180 THR N N 803 113.769 114.973 -1.204 1
1 1893 . 20 1 1 A 180 180 THR H H 803 8.037 7.760 0.277 1
1 1894 . 20 1 1 A 180 180 THR CA C 803 61.885 64.178 -2.293 1
1 1895 . 20 1 1 A 180 180 THR HA H 803 4.331 4.283 0.048 1
1 1896 . 20 1 1 A 180 180 THR CB C 803 70.002 68.989 1.013 1
1 1902 . 20 1 1 A 181 181 LYS N N 804 122.277 119.813 2.464 1
1 1903 . 20 1 1 A 181 181 LYS H H 804 8.198 8.983 -0.785 1
1 1904 . 20 1 1 A 181 181 LYS CA C 804 56.652 57.861 -1.209 1
1 1905 . 20 1 1 A 181 181 LYS HA H 804 4.151 3.927 0.224 1
1 1906 . 20 1 1 A 181 181 LYS CB C 804 32.377 30.753 1.624 1
1 1914 . 20 1 1 A 182 182 PHE N N 805 119.784 118.037 1.747 1
1 1915 . 20 1 1 A 182 182 PHE H H 805 8.206 8.079 0.127 1
1 1916 . 20 1 1 A 182 182 PHE CA C 805 57.256 57.558 -0.302 1
1 1917 . 20 1 1 A 182 182 PHE HA H 805 4.664 4.794 -0.130 1
1 1918 . 20 1 1 A 182 182 PHE CB C 805 38.774 39.734 -0.960 1
1 1927 . 20 1 1 A 183 183 SER N N 806 123.742 111.792 11.950 1
1 1928 . 20 1 1 A 183 183 SER H H 806 8.121 7.879 0.242 1
1 1929 . 20 1 1 A 183 183 SER CA C 806 58.203 57.874 0.329 1
1 1930 . 20 1 1 A 183 183 SER HA H 806 4.361 4.415 -0.054 1
1 1931 . 20 1 1 A 183 183 SER CB C 806 63.764 63.242 0.522 1
1 1934 . 20 1 1 A 184 184 ALA N N 807 125.704 121.327 4.377 1
1 1935 . 20 1 1 A 184 184 ALA H H 807 8.286 8.072 0.214 1
1 1936 . 20 1 1 A 184 184 ALA CA C 807 52.574 54.109 -1.535 1
1 1937 . 20 1 1 A 184 184 ALA HA H 807 4.360 4.070 0.290 1
1 1938 . 20 1 1 A 184 184 ALA CB C 807 18.947 17.805 1.142 1
1 1942 . 20 1 1 A 185 185 VAL N N 808 118.271 112.675 5.596 1
1 1943 . 20 1 1 A 185 185 VAL H H 808 7.958 8.057 -0.099 1
1 1944 . 20 1 1 A 185 185 VAL CA C 808 62.216 61.182 1.034 1
1 1945 . 20 1 1 A 185 185 VAL HA H 808 4.151 4.356 -0.205 1
1 1946 . 20 1 1 A 185 185 VAL CB C 808 32.178 32.515 -0.337 1
1 1952 . 20 1 1 A 186 186 LEU N N 809 125.280 120.425 4.855 1
1 1953 . 20 1 1 A 186 186 LEU H H 809 8.195 7.653 0.542 1
1 1954 . 20 1 1 A 186 186 LEU CA C 809 54.474 54.602 -0.128 1
1 1955 . 20 1 1 A 186 186 LEU HA H 809 4.430 4.460 -0.030 1
1 1956 . 20 1 1 A 186 186 LEU CB C 809 42.303 42.692 -0.389 1
1 1968 . 20 1 1 A 187 187 VAL N N 810 120.937 118.293 2.644 1
1 1969 . 20 1 1 A 187 187 VAL H H 810 7.985 8.151 -0.166 1
1 1970 . 20 1 1 A 187 187 VAL CA C 810 62.004 64.001 -1.997 1
1 1971 . 20 1 1 A 187 187 VAL HA H 810 4.155 3.938 0.217 1
1 1972 . 20 1 1 A 187 187 VAL CB C 810 32.602 31.380 1.222 1
1 1979 . 20 1 1 A 188 188 GLU N N 811 126.353 122.916 3.437 1
1 1980 . 20 1 1 A 188 188 GLU H H 811 8.292 7.558 0.734 1
1 1981 . 20 1 1 A 188 188 GLU CA C 811 54.162 53.201 0.961 1
1 1982 . 20 1 1 A 188 188 GLU HA H 811 4.609 4.651 -0.042 1
1 1983 . 20 1 1 A 188 188 GLU CB C 811 29.775 30.041 -0.266 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 186 1.663 1
3 1 1 1 "RMS(OBS, PRED)" CB 177 1.648 1
4 1 1 1 "RMS(OBS, PRED)" H 174 0.666 1
5 1 1 1 "RMS(OBS, PRED)" HA 194 0.383 1
6 1 1 1 "RMS(OBS, PRED)" N 173 3.363 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 186 1.653 1
9 1 2 1 "RMS(OBS, PRED)" CB 177 1.601 1
10 1 2 1 "RMS(OBS, PRED)" H 174 0.670 1
11 1 2 1 "RMS(OBS, PRED)" HA 194 0.367 1
12 1 2 1 "RMS(OBS, PRED)" N 173 3.403 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 186 1.572 1
15 1 3 1 "RMS(OBS, PRED)" CB 177 1.534 1
16 1 3 1 "RMS(OBS, PRED)" H 174 0.685 1
17 1 3 1 "RMS(OBS, PRED)" HA 194 0.371 1
18 1 3 1 "RMS(OBS, PRED)" N 173 3.176 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 186 1.623 1
21 1 4 1 "RMS(OBS, PRED)" CB 177 1.614 1
22 1 4 1 "RMS(OBS, PRED)" H 174 0.697 1
23 1 4 1 "RMS(OBS, PRED)" HA 194 0.360 1
24 1 4 1 "RMS(OBS, PRED)" N 173 3.336 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 186 1.613 1
27 1 5 1 "RMS(OBS, PRED)" CB 177 1.536 1
28 1 5 1 "RMS(OBS, PRED)" H 174 0.660 1
29 1 5 1 "RMS(OBS, PRED)" HA 194 0.383 1
30 1 5 1 "RMS(OBS, PRED)" N 173 3.280 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 186 1.651 1
33 1 6 1 "RMS(OBS, PRED)" CB 177 1.584 1
34 1 6 1 "RMS(OBS, PRED)" H 174 0.674 1
35 1 6 1 "RMS(OBS, PRED)" HA 194 0.363 1
36 1 6 1 "RMS(OBS, PRED)" N 173 3.265 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 186 1.715 1
39 1 7 1 "RMS(OBS, PRED)" CB 177 1.686 1
40 1 7 1 "RMS(OBS, PRED)" H 174 0.636 1
41 1 7 1 "RMS(OBS, PRED)" HA 194 0.369 1
42 1 7 1 "RMS(OBS, PRED)" N 173 3.417 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 186 1.621 1
45 1 8 1 "RMS(OBS, PRED)" CB 177 1.681 1
46 1 8 1 "RMS(OBS, PRED)" H 174 0.689 1
47 1 8 1 "RMS(OBS, PRED)" HA 194 0.375 1
48 1 8 1 "RMS(OBS, PRED)" N 173 3.378 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 186 1.577 1
51 1 9 1 "RMS(OBS, PRED)" CB 177 1.717 1
52 1 9 1 "RMS(OBS, PRED)" H 174 0.702 1
53 1 9 1 "RMS(OBS, PRED)" HA 194 0.388 1
54 1 9 1 "RMS(OBS, PRED)" N 173 3.138 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 186 1.641 1
57 1 10 1 "RMS(OBS, PRED)" CB 177 1.653 1
58 1 10 1 "RMS(OBS, PRED)" H 174 0.689 1
59 1 10 1 "RMS(OBS, PRED)" HA 194 0.366 1
60 1 10 1 "RMS(OBS, PRED)" N 173 3.406 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 186 1.551 1
63 1 11 1 "RMS(OBS, PRED)" CB 177 1.717 1
64 1 11 1 "RMS(OBS, PRED)" H 174 0.693 1
65 1 11 1 "RMS(OBS, PRED)" HA 194 0.402 1
66 1 11 1 "RMS(OBS, PRED)" N 173 3.146 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 186 1.660 1
69 1 12 1 "RMS(OBS, PRED)" CB 177 1.665 1
70 1 12 1 "RMS(OBS, PRED)" H 174 0.726 1
71 1 12 1 "RMS(OBS, PRED)" HA 194 0.390 1
72 1 12 1 "RMS(OBS, PRED)" N 173 3.113 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 186 1.639 1
75 1 13 1 "RMS(OBS, PRED)" CB 177 1.564 1
76 1 13 1 "RMS(OBS, PRED)" H 174 0.672 1
77 1 13 1 "RMS(OBS, PRED)" HA 194 0.398 1
78 1 13 1 "RMS(OBS, PRED)" N 173 3.312 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 186 1.598 1
81 1 14 1 "RMS(OBS, PRED)" CB 177 1.573 1
82 1 14 1 "RMS(OBS, PRED)" H 174 0.658 1
83 1 14 1 "RMS(OBS, PRED)" HA 194 0.380 1
84 1 14 1 "RMS(OBS, PRED)" N 173 3.633 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 186 1.617 1
87 1 15 1 "RMS(OBS, PRED)" CB 177 1.615 1
88 1 15 1 "RMS(OBS, PRED)" H 174 0.680 1
89 1 15 1 "RMS(OBS, PRED)" HA 194 0.391 1
90 1 15 1 "RMS(OBS, PRED)" N 173 3.396 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 186 1.659 1
93 1 16 1 "RMS(OBS, PRED)" CB 177 1.500 1
94 1 16 1 "RMS(OBS, PRED)" H 174 0.687 1
95 1 16 1 "RMS(OBS, PRED)" HA 194 0.395 1
96 1 16 1 "RMS(OBS, PRED)" N 173 3.279 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 186 1.662 1
99 1 17 1 "RMS(OBS, PRED)" CB 177 1.530 1
100 1 17 1 "RMS(OBS, PRED)" H 174 0.677 1
101 1 17 1 "RMS(OBS, PRED)" HA 194 0.362 1
102 1 17 1 "RMS(OBS, PRED)" N 173 3.408 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 186 1.730 1
105 1 18 1 "RMS(OBS, PRED)" CB 177 1.604 1
106 1 18 1 "RMS(OBS, PRED)" H 174 0.660 1
107 1 18 1 "RMS(OBS, PRED)" HA 194 0.413 1
108 1 18 1 "RMS(OBS, PRED)" N 173 3.401 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 186 1.603 1
111 1 19 1 "RMS(OBS, PRED)" CB 177 1.733 1
112 1 19 1 "RMS(OBS, PRED)" H 174 0.683 1
113 1 19 1 "RMS(OBS, PRED)" HA 194 0.365 1
114 1 19 1 "RMS(OBS, PRED)" N 173 3.141 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 186 1.631 1
117 1 20 1 "RMS(OBS, PRED)" CB 177 1.556 1
118 1 20 1 "RMS(OBS, PRED)" H 174 0.695 1
119 1 20 1 "RMS(OBS, PRED)" HA 194 0.387 1
120 1 20 1 "RMS(OBS, PRED)" N 173 3.341 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 2 2 ALA CA C 625 52.969 51.824 1.145 2
1 2 . 1 1 A 2 2 ALA HA H 625 4.493 4.462 0.031 2
1 3 . 1 1 A 2 2 ALA CB C 625 19.272 20.163 -0.890 2
1 7 . 1 1 A 3 3 THR N N 626 113.570 112.994 0.576 2
1 8 . 1 1 A 3 3 THR H H 626 8.176 8.627 -0.451 2
1 9 . 1 1 A 3 3 THR CA C 626 61.314 66.279 -4.965 2
1 10 . 1 1 A 3 3 THR HA H 626 4.298 3.999 0.299 2
1 11 . 1 1 A 3 3 THR CB C 626 69.270 68.302 0.968 2
1 17 . 1 1 A 4 4 ILE N N 627 115.272 119.057 -3.785 2
1 18 . 1 1 A 4 4 ILE H H 627 7.549 8.150 -0.601 2
1 19 . 1 1 A 4 4 ILE CA C 627 58.731 61.545 -2.814 2
1 20 . 1 1 A 4 4 ILE HA H 627 4.258 4.319 -0.061 2
1 21 . 1 1 A 4 4 ILE CB C 627 42.246 36.813 5.433 2
1 34 . 1 1 A 5 5 CYS N N 628 124.095 125.309 -1.214 2
1 35 . 1 1 A 5 5 CYS H H 628 7.766 8.485 -0.719 2
1 36 . 1 1 A 5 5 CYS CA C 628 57.978 58.654 -0.676 2
1 37 . 1 1 A 5 5 CYS HA H 628 3.781 4.514 -0.733 2
1 38 . 1 1 A 5 5 CYS CB C 628 31.436 27.371 4.065 2
1 41 . 1 1 A 6 6 ARG N N 629 129.928 127.426 2.502 2
1 42 . 1 1 A 6 6 ARG H H 629 9.040 8.269 0.771 2
1 43 . 1 1 A 6 6 ARG CA C 629 57.514 59.405 -1.891 2
1 44 . 1 1 A 6 6 ARG HA H 629 3.900 3.772 0.128 2
1 45 . 1 1 A 6 6 ARG CB C 629 30.251 29.591 0.660 2
1 54 . 1 1 A 7 7 VAL N N 630 118.166 119.036 -0.870 2
1 55 . 1 1 A 7 7 VAL H H 630 8.734 7.638 1.096 2
1 56 . 1 1 A 7 7 VAL CA C 630 65.770 66.427 -0.657 2
1 57 . 1 1 A 7 7 VAL HA H 630 4.137 3.861 0.276 2
1 58 . 1 1 A 7 7 VAL CB C 630 33.079 31.628 1.451 2
1 68 . 1 1 A 8 8 CYS N N 631 116.148 116.577 -0.429 2
1 69 . 1 1 A 8 8 CYS H H 631 8.143 7.824 0.319 2
1 70 . 1 1 A 8 8 CYS CA C 631 59.154 59.738 -0.584 2
1 71 . 1 1 A 8 8 CYS HA H 631 5.105 4.418 0.687 2
1 72 . 1 1 A 8 8 CYS CB C 631 31.184 27.669 3.515 2
1 75 . 1 1 A 9 9 GLN N N 632 115.248 116.303 -1.055 2
1 76 . 1 1 A 9 9 GLN H H 632 8.132 8.975 -0.843 2
1 77 . 1 1 A 9 9 GLN CA C 632 57.404 57.036 0.368 2
1 78 . 1 1 A 9 9 GLN HA H 632 4.068 3.868 0.200 2
1 79 . 1 1 A 9 9 GLN CB C 632 26.002 26.172 -0.170 2
1 88 . 1 1 A 10 10 LYS N N 633 118.420 118.783 -0.363 2
1 89 . 1 1 A 10 10 LYS H H 633 8.091 7.798 0.293 2
1 90 . 1 1 A 10 10 LYS CA C 633 53.835 52.921 0.914 2
1 91 . 1 1 A 10 10 LYS HA H 633 5.046 4.735 0.311 2
1 92 . 1 1 A 10 10 LYS CB C 633 33.312 33.408 -0.096 2
1 102 . 1 1 A 11 11 PRO CA C 634 62.136 63.114 -0.977 2
1 103 . 1 1 A 11 11 PRO HA H 634 5.056 4.668 0.388 2
1 104 . 1 1 A 11 11 PRO CB C 634 33.061 32.581 0.480 2
1 112 . 1 1 A 12 12 GLY N N 635 106.958 108.332 -1.374 2
1 113 . 1 1 A 12 12 GLY H H 635 8.475 8.097 0.378 2
1 114 . 1 1 A 12 12 GLY CA C 635 45.303 45.455 -0.152 2
1 115 . 1 1 A 12 12 GLY HA3 H 635 3.812 4.334 -0.522 2
1 116 . 1 1 A 12 12 GLY HA2 H 635 4.438 4.232 0.206 2
1 117 . 1 1 A 13 13 ASP N N 636 124.001 122.666 1.335 2
1 118 . 1 1 A 13 13 ASP H H 636 8.729 8.621 0.108 2
1 119 . 1 1 A 13 13 ASP CA C 636 54.239 53.481 0.758 2
1 120 . 1 1 A 13 13 ASP HA H 636 4.656 4.677 -0.021 2
1 121 . 1 1 A 13 13 ASP CB C 636 39.425 39.268 0.157 2
1 124 . 1 1 A 14 14 LEU N N 637 121.435 121.877 -0.442 2
1 125 . 1 1 A 14 14 LEU H H 637 7.849 7.702 0.147 2
1 126 . 1 1 A 14 14 LEU CA C 637 53.306 54.773 -1.467 2
1 127 . 1 1 A 14 14 LEU HA H 637 4.546 4.610 -0.064 2
1 128 . 1 1 A 14 14 LEU CB C 637 44.117 42.296 1.821 2
1 141 . 1 1 A 15 15 VAL N N 638 118.100 120.721 -2.621 2
1 142 . 1 1 A 15 15 VAL H H 638 8.703 8.746 -0.043 2
1 143 . 1 1 A 15 15 VAL CA C 638 59.865 60.638 -0.773 2
1 144 . 1 1 A 15 15 VAL HA H 638 4.383 4.712 -0.329 2
1 145 . 1 1 A 15 15 VAL CB C 638 33.305 33.175 0.130 2
1 155 . 1 1 A 16 16 MET N N 639 125.271 127.282 -2.011 2
1 156 . 1 1 A 16 16 MET H H 639 8.519 9.003 -0.484 2
1 157 . 1 1 A 16 16 MET CA C 639 54.122 54.672 -0.550 2
1 158 . 1 1 A 16 16 MET HA H 639 5.210 5.198 0.012 2
1 159 . 1 1 A 16 16 MET CB C 639 36.310 33.483 2.827 2
1 169 . 1 1 A 17 17 CYS N N 640 129.455 124.553 4.902 2
1 170 . 1 1 A 17 17 CYS H H 640 9.139 8.929 0.210 2
1 171 . 1 1 A 17 17 CYS CA C 640 59.996 59.996 0.000 2
1 172 . 1 1 A 17 17 CYS HA H 640 4.658 4.373 0.285 2
1 173 . 1 1 A 17 17 CYS CB C 640 31.238 28.530 2.708 2
1 176 . 1 1 A 18 18 ASN N N 641 128.271 127.033 1.238 2
1 177 . 1 1 A 18 18 ASN H H 641 8.914 9.185 -0.271 2
1 178 . 1 1 A 18 18 ASN CA C 641 55.658 55.054 0.603 2
1 179 . 1 1 A 18 18 ASN HA H 641 4.584 4.529 0.055 2
1 180 . 1 1 A 18 18 ASN CB C 641 38.955 38.107 0.848 2
1 186 . 1 1 A 19 19 GLN N N 642 121.426 116.282 5.144 2
1 187 . 1 1 A 19 19 GLN H H 642 9.313 7.758 1.555 2
1 188 . 1 1 A 19 19 GLN CA C 642 57.971 56.410 1.561 2
1 189 . 1 1 A 19 19 GLN HA H 642 4.502 4.462 0.040 2
1 190 . 1 1 A 19 19 GLN CB C 642 30.466 30.967 -0.501 2
1 197 . 1 1 A 20 20 CYS N N 643 120.207 115.513 4.694 2
1 198 . 1 1 A 20 20 CYS H H 643 8.542 7.766 0.776 2
1 199 . 1 1 A 20 20 CYS CA C 643 59.473 58.370 1.103 2
1 200 . 1 1 A 20 20 CYS HA H 643 4.663 4.693 -0.030 2
1 201 . 1 1 A 20 20 CYS CB C 643 31.889 28.130 3.759 2
1 204 . 1 1 A 21 21 GLU N N 644 114.113 116.133 -2.020 2
1 205 . 1 1 A 21 21 GLU H H 644 7.441 8.091 -0.650 2
1 206 . 1 1 A 21 21 GLU CA C 644 57.994 58.291 -0.297 2
1 207 . 1 1 A 21 21 GLU HA H 644 4.285 4.057 0.228 2
1 208 . 1 1 A 21 21 GLU CB C 644 26.843 28.057 -1.214 2
1 214 . 1 1 A 22 22 PHE N N 645 120.911 119.730 1.181 2
1 215 . 1 1 A 22 22 PHE H H 645 8.941 8.445 0.496 2
1 216 . 1 1 A 22 22 PHE CA C 645 57.356 58.415 -1.059 2
1 217 . 1 1 A 22 22 PHE HA H 645 4.777 4.518 0.259 2
1 218 . 1 1 A 22 22 PHE CB C 645 38.709 39.118 -0.409 2
1 226 . 1 1 A 23 23 CYS N N 646 115.830 123.218 -7.388 2
1 227 . 1 1 A 23 23 CYS H H 646 8.137 8.707 -0.570 2
1 228 . 1 1 A 23 23 CYS CA C 646 56.600 58.154 -1.554 2
1 229 . 1 1 A 23 23 CYS HA H 646 5.813 6.044 -0.231 2
1 230 . 1 1 A 23 23 CYS CB C 646 30.951 29.652 1.299 2
1 233 . 1 1 A 24 24 PHE N N 647 116.053 120.624 -4.571 2
1 234 . 1 1 A 24 24 PHE H H 647 9.011 8.721 0.290 2
1 235 . 1 1 A 24 24 PHE CA C 647 56.827 56.802 0.025 2
1 236 . 1 1 A 24 24 PHE HA H 647 5.910 4.857 1.053 2
1 237 . 1 1 A 24 24 PHE CB C 647 44.608 43.081 1.526 2
1 246 . 1 1 A 25 25 HIS N N 648 120.957 122.090 -1.133 2
1 247 . 1 1 A 25 25 HIS H H 648 8.427 8.972 -0.545 2
1 248 . 1 1 A 25 25 HIS CA C 648 58.971 56.761 2.210 2
1 249 . 1 1 A 25 25 HIS HA H 648 4.929 4.484 0.445 2
1 250 . 1 1 A 25 25 HIS CB C 648 31.178 29.779 1.399 2
1 257 . 1 1 A 26 26 LEU N N 649 123.176 118.108 5.068 2
1 258 . 1 1 A 26 26 LEU H H 649 9.369 8.056 1.313 2
1 259 . 1 1 A 26 26 LEU CA C 649 59.646 57.598 2.048 2
1 260 . 1 1 A 26 26 LEU HA H 649 3.829 3.740 0.089 2
1 261 . 1 1 A 26 26 LEU CB C 649 39.426 40.452 -1.026 2
1 274 . 1 1 A 27 27 ASP N N 650 109.058 118.784 -9.727 2
1 275 . 1 1 A 27 27 ASP H H 650 8.326 9.250 -0.924 2
1 276 . 1 1 A 27 27 ASP CA C 650 53.998 57.372 -3.374 2
1 277 . 1 1 A 27 27 ASP HA H 650 4.739 4.360 0.379 2
1 278 . 1 1 A 27 27 ASP CB C 650 40.331 40.882 -0.551 2
1 280 . 1 1 A 28 28 CYS N N 651 117.495 116.746 0.749 2
1 281 . 1 1 A 28 28 CYS H H 651 7.480 8.171 -0.691 2
1 282 . 1 1 A 28 28 CYS CA C 651 61.534 62.218 -0.684 2
1 283 . 1 1 A 28 28 CYS HA H 651 4.245 4.418 -0.173 2
1 284 . 1 1 A 28 28 CYS CB C 651 31.646 27.663 3.983 2
1 286 . 1 1 A 29 29 HIS N N 652 116.384 122.027 -5.643 2
1 287 . 1 1 A 29 29 HIS H H 652 6.894 7.816 -0.922 2
1 288 . 1 1 A 29 29 HIS CA C 652 59.713 57.183 2.530 2
1 289 . 1 1 A 29 29 HIS HA H 652 3.644 4.439 -0.795 2
1 290 . 1 1 A 29 29 HIS CB C 652 27.909 30.442 -2.533 2
1 296 . 1 1 A 30 30 LEU N N 653 121.110 126.571 -5.461 2
1 297 . 1 1 A 30 30 LEU H H 653 4.525 8.349 -3.824 2
1 298 . 1 1 A 30 30 LEU CA C 653 51.439 59.037 -7.598 2
1 299 . 1 1 A 30 30 LEU HA H 653 4.515 3.325 1.190 2
1 300 . 1 1 A 30 30 LEU CB C 653 46.001 40.947 5.054 2
1 312 . 1 1 A 31 31 PRO CA C 654 62.964 63.539 -0.575 2
1 313 . 1 1 A 31 31 PRO HA H 654 4.471 4.372 0.099 2
1 314 . 1 1 A 31 31 PRO CB C 654 34.045 32.347 1.698 2
1 322 . 1 1 A 32 32 ALA N N 655 125.871 119.868 6.003 2
1 323 . 1 1 A 32 32 ALA H H 655 8.766 7.957 0.809 2
1 324 . 1 1 A 32 32 ALA CA C 655 52.771 52.934 -0.163 2
1 325 . 1 1 A 32 32 ALA HA H 655 4.349 4.853 -0.504 2
1 326 . 1 1 A 32 32 ALA CB C 655 18.177 17.957 0.220 2
1 330 . 1 1 A 33 33 LEU N N 656 123.348 124.296 -0.948 2
1 331 . 1 1 A 33 33 LEU H H 656 8.230 8.683 -0.453 2
1 332 . 1 1 A 33 33 LEU CA C 656 54.014 56.229 -2.215 2
1 333 . 1 1 A 33 33 LEU HA H 656 4.445 4.160 0.285 2
1 334 . 1 1 A 33 33 LEU CB C 656 43.197 42.303 0.894 2
1 347 . 1 1 A 34 34 GLN N N 657 119.992 117.927 2.066 2
1 348 . 1 1 A 34 34 GLN H H 657 8.679 8.318 0.361 2
1 349 . 1 1 A 34 34 GLN CA C 657 56.354 56.925 -0.571 2
1 350 . 1 1 A 34 34 GLN HA H 657 4.159 4.324 -0.165 2
1 351 . 1 1 A 34 34 GLN CB C 657 29.555 28.990 0.565 2
1 359 . 1 1 A 35 35 ASP N N 658 115.420 116.445 -1.025 2
1 360 . 1 1 A 35 35 ASP H H 658 7.457 7.646 -0.189 2
1 361 . 1 1 A 35 35 ASP CA C 658 51.696 54.241 -2.545 2
1 362 . 1 1 A 35 35 ASP HA H 658 4.626 4.747 -0.120 2
1 363 . 1 1 A 35 35 ASP CB C 658 43.431 42.732 0.699 2
1 366 . 1 1 A 36 36 VAL N N 659 122.099 120.695 1.404 2
1 367 . 1 1 A 36 36 VAL H H 659 8.624 8.202 0.422 2
1 368 . 1 1 A 36 36 VAL CA C 659 60.994 61.115 -0.121 2
1 369 . 1 1 A 36 36 VAL HA H 659 3.752 3.896 -0.144 2
1 370 . 1 1 A 36 36 VAL CB C 659 32.087 32.047 0.040 2
1 380 . 1 1 A 37 37 PRO CA C 660 62.728 63.504 -0.776 2
1 381 . 1 1 A 37 37 PRO HA H 660 4.454 4.461 -0.007 2
1 382 . 1 1 A 37 37 PRO CB C 660 32.835 31.813 1.022 2
1 391 . 1 1 A 38 38 GLY N N 661 106.940 109.336 -2.396 2
1 392 . 1 1 A 38 38 GLY H H 661 8.189 8.214 -0.025 2
1 393 . 1 1 A 38 38 GLY CA C 661 44.397 46.025 -1.628 2
1 394 . 1 1 A 38 38 GLY HA3 H 661 3.969 3.967 0.001 2
1 395 . 1 1 A 38 38 GLY HA2 H 661 4.190 3.950 0.240 2
1 396 . 1 1 A 39 39 GLU N N 662 117.365 119.287 -1.922 2
1 397 . 1 1 A 39 39 GLU H H 662 8.281 8.506 -0.225 2
1 398 . 1 1 A 39 39 GLU CA C 662 57.520 57.867 -0.347 2
1 399 . 1 1 A 39 39 GLU HA H 662 4.281 4.249 0.032 2
1 400 . 1 1 A 39 39 GLU CB C 662 30.013 29.477 0.536 2
1 405 . 1 1 A 40 40 GLU N N 663 117.986 117.423 0.563 2
1 406 . 1 1 A 40 40 GLU H H 663 8.697 8.103 0.594 2
1 407 . 1 1 A 40 40 GLU CA C 663 56.389 55.909 0.480 2
1 408 . 1 1 A 40 40 GLU HA H 663 4.293 4.599 -0.306 2
1 409 . 1 1 A 40 40 GLU CB C 663 28.787 30.615 -1.828 2
1 414 . 1 1 A 41 41 TRP N N 664 124.391 124.945 -0.554 2
1 415 . 1 1 A 41 41 TRP H H 664 7.967 7.923 0.044 2
1 416 . 1 1 A 41 41 TRP CA C 664 59.934 58.222 1.712 2
1 417 . 1 1 A 41 41 TRP HA H 664 4.312 4.729 -0.417 2
1 418 . 1 1 A 41 41 TRP CB C 664 29.998 30.243 -0.245 2
1 432 . 1 1 A 42 42 SER N N 665 120.355 117.279 3.076 2
1 433 . 1 1 A 42 42 SER H H 665 6.873 7.867 -0.994 2
1 434 . 1 1 A 42 42 SER CA C 665 55.166 56.753 -1.587 2
1 435 . 1 1 A 42 42 SER HA H 665 5.259 4.790 0.469 2
1 436 . 1 1 A 42 42 SER CB C 665 65.990 64.609 1.381 2
1 439 . 1 1 A 43 43 CYS N N 666 125.642 122.310 3.332 2
1 440 . 1 1 A 43 43 CYS H H 666 9.271 7.906 1.365 2
1 441 . 1 1 A 43 43 CYS CA C 666 57.325 59.067 -1.742 2
1 442 . 1 1 A 43 43 CYS HA H 666 3.952 2.905 1.047 2
1 443 . 1 1 A 43 43 CYS CB C 666 34.022 27.228 6.794 2
1 446 . 1 1 A 44 44 SER N N 667 117.158 118.967 -1.809 2
1 447 . 1 1 A 44 44 SER H H 667 7.068 8.539 -1.471 2
1 448 . 1 1 A 44 44 SER CA C 667 61.353 61.296 0.057 2
1 449 . 1 1 A 44 44 SER HA H 667 4.225 4.247 -0.022 2
1 450 . 1 1 A 44 44 SER CB C 667 63.693 63.271 0.422 2
1 453 . 1 1 A 45 45 LEU N N 668 120.667 120.103 0.564 2
1 454 . 1 1 A 45 45 LEU H H 668 8.965 7.862 1.103 2
1 455 . 1 1 A 45 45 LEU CA C 668 57.416 56.267 1.149 2
1 456 . 1 1 A 45 45 LEU HA H 668 4.178 4.201 -0.023 2
1 457 . 1 1 A 45 45 LEU CB C 668 40.611 41.758 -1.147 2
1 470 . 1 1 A 46 46 CYS N N 669 121.872 116.557 5.315 2
1 471 . 1 1 A 46 46 CYS H H 669 7.816 8.310 -0.494 2
1 472 . 1 1 A 46 46 CYS CA C 669 62.557 59.565 2.992 2
1 473 . 1 1 A 46 46 CYS HA H 669 3.969 4.462 -0.493 2
1 474 . 1 1 A 46 46 CYS CB C 669 30.467 29.570 0.897 2
1 477 . 1 1 A 47 47 HIS N N 670 119.396 120.107 -0.711 2
1 478 . 1 1 A 47 47 HIS H H 670 8.077 7.852 0.225 2
1 479 . 1 1 A 47 47 HIS CA C 670 55.625 56.574 -0.949 2
1 480 . 1 1 A 47 47 HIS HA H 670 4.429 4.530 -0.101 2
1 481 . 1 1 A 47 47 HIS CB C 670 30.326 30.502 -0.176 2
1 488 . 1 1 A 48 48 VAL N N 671 123.528 120.251 3.277 2
1 489 . 1 1 A 48 48 VAL H H 671 7.978 7.834 0.144 2
1 490 . 1 1 A 48 48 VAL CA C 671 62.120 63.790 -1.670 2
1 491 . 1 1 A 48 48 VAL HA H 671 3.925 4.101 -0.176 2
1 492 . 1 1 A 48 48 VAL CB C 671 32.396 31.832 0.564 2
1 502 . 1 1 A 49 49 LEU N N 672 126.622 124.213 2.409 2
1 503 . 1 1 A 49 49 LEU H H 672 8.139 8.296 -0.157 2
1 504 . 1 1 A 49 49 LEU CA C 672 52.859 52.887 -0.028 2
1 505 . 1 1 A 49 49 LEU HA H 672 4.475 4.574 -0.099 2
1 506 . 1 1 A 49 49 LEU CB C 672 41.536 43.140 -1.604 2
1 518 . 1 1 A 50 50 PRO CA C 673 62.715 65.268 -2.553 2
1 519 . 1 1 A 50 50 PRO HA H 673 4.386 4.418 -0.032 2
1 520 . 1 1 A 50 50 PRO CB C 673 32.093 31.651 0.442 2
1 528 . 1 1 A 51 51 ASP N N 674 120.540 118.504 2.036 2
1 529 . 1 1 A 51 51 ASP H H 674 8.307 8.290 0.017 2
1 530 . 1 1 A 51 51 ASP CA C 674 54.202 54.714 -0.512 2
1 531 . 1 1 A 51 51 ASP HA H 674 4.564 4.614 -0.050 2
1 532 . 1 1 A 51 51 ASP CB C 674 41.030 41.847 -0.817 2
1 535 . 1 1 A 52 52 LEU N N 675 122.987 120.288 2.699 2
1 536 . 1 1 A 52 52 LEU H H 675 8.053 7.853 0.200 2
1 537 . 1 1 A 52 52 LEU CA C 675 54.945 55.763 -0.818 2
1 538 . 1 1 A 52 52 LEU HA H 675 4.364 4.137 0.227 2
1 539 . 1 1 A 52 52 LEU CB C 675 42.436 41.259 1.177 2
1 551 . 1 1 A 53 53 LYS N N 676 122.061 122.713 -0.652 2
1 552 . 1 1 A 53 53 LYS H H 676 8.340 8.380 -0.040 2
1 553 . 1 1 A 53 53 LYS CA C 676 56.060 58.999 -2.939 2
1 554 . 1 1 A 53 53 LYS HA H 676 4.331 4.029 0.302 2
1 555 . 1 1 A 53 53 LYS CB C 676 32.363 32.207 0.156 2
1 564 . 1 1 A 54 54 GLU N N 677 121.909 116.454 5.455 2
1 565 . 1 1 A 54 54 GLU H H 677 8.403 8.022 0.381 2
1 566 . 1 1 A 54 54 GLU CA C 677 56.586 57.883 -1.297 2
1 567 . 1 1 A 54 54 GLU HA H 677 4.312 3.998 0.314 2
1 568 . 1 1 A 54 54 GLU CB C 677 30.221 27.901 2.320 2
1 573 . 1 1 A 55 55 GLU N N 678 121.528 120.296 1.232 2
1 574 . 1 1 A 55 55 GLU H H 678 8.486 8.306 0.180 2
1 575 . 1 1 A 55 55 GLU CA C 678 56.368 56.749 -0.381 2
1 576 . 1 1 A 55 55 GLU HA H 678 4.315 4.298 0.017 2
1 577 . 1 1 A 55 55 GLU CB C 678 28.896 29.812 -0.916 2
1 582 . 1 1 A 56 56 ASP N N 679 121.530 120.738 0.792 2
1 583 . 1 1 A 56 56 ASP H H 679 8.322 8.550 -0.228 2
1 584 . 1 1 A 56 56 ASP CA C 679 54.252 55.128 -0.876 2
1 585 . 1 1 A 56 56 ASP HA H 679 4.680 4.488 0.192 2
1 586 . 1 1 A 56 56 ASP CB C 679 41.146 39.634 1.512 2
1 588 . 1 1 A 57 57 GLY N N 680 109.997 109.342 0.655 2
1 589 . 1 1 A 57 57 GLY H H 680 8.412 8.237 0.175 2
1 590 . 1 1 A 57 57 GLY CA C 680 45.247 46.131 -0.884 2
1 591 . 1 1 A 57 57 GLY HA2 H 680 4.020 3.944 0.076 2
1 592 . 1 1 A 58 58 SER N N 681 115.994 113.954 2.040 2
1 593 . 1 1 A 58 58 SER H H 681 8.280 7.894 0.386 2
1 594 . 1 1 A 58 58 SER CA C 681 58.239 57.767 0.472 2
1 595 . 1 1 A 58 58 SER HA H 681 3.996 4.686 -0.690 2
1 596 . 1 1 A 58 58 SER CB C 681 63.789 65.110 -1.321 2
1 598 . 1 1 A 59 59 LEU N N 682 123.362 122.446 0.916 2
1 599 . 1 1 A 59 59 LEU H H 682 8.164 7.705 0.459 2
1 600 . 1 1 A 59 59 LEU CA C 682 55.160 54.672 0.488 2
1 601 . 1 1 A 59 59 LEU HA H 682 4.427 4.585 -0.158 2
1 602 . 1 1 A 59 59 LEU CB C 682 42.473 43.412 -0.939 2
1 614 . 1 1 A 60 60 SER N N 683 116.385 119.431 -3.046 2
1 615 . 1 1 A 60 60 SER H H 683 8.226 8.530 -0.304 2
1 616 . 1 1 A 60 60 SER CA C 683 58.004 57.726 0.278 2
1 617 . 1 1 A 60 60 SER HA H 683 4.517 4.713 -0.196 2
1 618 . 1 1 A 60 60 SER CB C 683 63.651 64.580 -0.929 2
1 620 . 1 1 A 61 61 LEU N N 684 124.466 121.022 3.444 2
1 621 . 1 1 A 61 61 LEU H H 684 8.303 8.052 0.251 2
1 622 . 1 1 A 61 61 LEU CA C 684 54.959 56.366 -1.407 2
1 623 . 1 1 A 61 61 LEU HA H 684 4.412 4.101 0.310 2
1 624 . 1 1 A 61 61 LEU CB C 684 41.713 41.479 0.234 2
1 635 . 1 1 A 62 62 ASP N N 685 120.536 118.983 1.553 2
1 636 . 1 1 A 62 62 ASP H H 685 8.267 7.998 0.269 2
1 637 . 1 1 A 62 62 ASP CA C 685 54.276 55.065 -0.788 2
1 638 . 1 1 A 62 62 ASP HA H 685 4.680 4.542 0.138 2
1 639 . 1 1 A 62 62 ASP CB C 685 41.125 41.396 -0.271 2
1 642 . 1 1 A 63 63 GLY N N 686 109.373 112.853 -3.480 2
1 643 . 1 1 A 63 63 GLY H H 686 8.277 8.689 -0.412 2
1 644 . 1 1 A 63 63 GLY CA C 686 45.297 45.965 -0.668 2
1 645 . 1 1 A 63 63 GLY HA2 H 686 3.992 3.981 0.011 2
1 646 . 1 1 A 64 64 ALA N N 687 123.584 123.987 -0.403 2
1 647 . 1 1 A 64 64 ALA H H 687 8.129 8.193 -0.064 2
1 648 . 1 1 A 64 64 ALA CA C 687 52.637 53.276 -0.639 2
1 649 . 1 1 A 64 64 ALA HA H 687 4.379 4.316 0.063 2
1 650 . 1 1 A 64 64 ALA CB C 687 19.122 19.679 -0.557 2
1 654 . 1 1 A 65 65 ASP N N 688 118.924 118.265 0.659 2
1 655 . 1 1 A 65 65 ASP H H 688 8.326 8.282 0.044 2
1 656 . 1 1 A 65 65 ASP CA C 688 53.972 54.920 -0.948 2
1 657 . 1 1 A 65 65 ASP HA H 688 4.682 4.582 0.100 2
1 658 . 1 1 A 65 65 ASP CB C 688 41.061 40.971 0.090 2
1 660 . 1 1 A 66 66 SER N N 689 116.036 117.216 -1.180 2
1 661 . 1 1 A 66 66 SER H H 689 8.285 8.533 -0.248 2
1 662 . 1 1 A 66 66 SER CA C 689 58.352 58.843 -0.491 2
1 663 . 1 1 A 66 66 SER HA H 689 4.443 4.574 -0.131 2
1 664 . 1 1 A 66 66 SER CB C 689 63.665 64.496 -0.831 2
1 666 . 1 1 A 67 67 THR N N 690 115.059 113.306 1.753 2
1 667 . 1 1 A 67 67 THR H H 690 8.253 8.296 -0.043 2
1 668 . 1 1 A 67 67 THR CA C 690 62.556 62.481 0.075 2
1 669 . 1 1 A 67 67 THR HA H 690 4.379 4.374 0.005 2
1 670 . 1 1 A 67 67 THR CB C 690 69.623 69.169 0.454 2
1 676 . 1 1 A 68 68 GLY N N 691 111.091 109.110 1.981 2
1 677 . 1 1 A 68 68 GLY H H 691 8.366 8.030 0.336 2
1 678 . 1 1 A 68 68 GLY CA C 691 45.297 45.657 -0.360 2
1 679 . 1 1 A 68 68 GLY HA2 H 691 4.002 4.027 -0.025 2
1 680 . 1 1 A 69 69 VAL N N 692 119.280 119.602 -0.322 2
1 681 . 1 1 A 69 69 VAL H H 692 7.876 8.203 -0.327 2
1 682 . 1 1 A 69 69 VAL CA C 692 62.068 63.789 -1.721 2
1 683 . 1 1 A 69 69 VAL HA H 692 4.176 3.856 0.320 2
1 684 . 1 1 A 69 69 VAL CB C 692 32.322 30.931 1.391 2
1 690 . 1 1 A 70 70 VAL N N 693 123.601 122.531 1.070 2
1 691 . 1 1 A 70 70 VAL H H 693 8.102 7.881 0.221 2
1 692 . 1 1 A 70 70 VAL CA C 693 61.886 62.923 -1.037 2
1 693 . 1 1 A 70 70 VAL HA H 693 4.150 4.303 -0.153 2
1 694 . 1 1 A 70 70 VAL CB C 693 32.429 33.578 -1.149 2
1 700 . 1 1 A 71 71 ALA N N 694 129.048 123.159 5.889 2
1 701 . 1 1 A 71 71 ALA H H 694 8.374 8.084 0.290 2
1 702 . 1 1 A 71 71 ALA CA C 694 52.125 53.403 -1.278 2
1 703 . 1 1 A 71 71 ALA HA H 694 4.454 4.031 0.423 2
1 704 . 1 1 A 71 71 ALA CB C 694 19.203 17.587 1.616 2
1 708 . 1 1 A 72 72 LYS N N 695 118.535 117.669 0.866 2
1 709 . 1 1 A 72 72 LYS H H 695 7.833 7.949 -0.116 2
1 710 . 1 1 A 72 72 LYS CA C 695 54.556 59.170 -4.614 2
1 711 . 1 1 A 72 72 LYS HA H 695 4.827 4.135 0.692 2
1 712 . 1 1 A 72 72 LYS CB C 695 35.245 32.674 2.571 2
1 722 . 1 1 A 73 73 LEU N N 696 121.834 119.766 2.068 2
1 723 . 1 1 A 73 73 LEU H H 696 8.772 7.866 0.906 2
1 724 . 1 1 A 73 73 LEU CA C 696 54.973 56.459 -1.486 2
1 725 . 1 1 A 73 73 LEU HA H 696 4.268 4.283 -0.015 2
1 726 . 1 1 A 73 73 LEU CB C 696 42.467 43.168 -0.701 2
1 739 . 1 1 A 74 74 SER N N 697 121.120 112.003 9.117 2
1 740 . 1 1 A 74 74 SER H H 697 8.890 7.824 1.066 2
1 741 . 1 1 A 74 74 SER CA C 697 56.165 57.708 -1.543 2
1 742 . 1 1 A 74 74 SER HA H 697 4.710 4.600 0.110 2
1 743 . 1 1 A 74 74 SER CB C 697 62.177 65.143 -2.966 2
1 745 . 1 1 A 75 75 PRO CA C 698 66.251 65.482 0.769 2
1 746 . 1 1 A 75 75 PRO HA H 698 4.350 4.337 0.013 2
1 747 . 1 1 A 75 75 PRO CB C 698 31.661 31.691 -0.030 2
1 755 . 1 1 A 76 76 ALA N N 699 117.914 119.217 -1.303 2
1 756 . 1 1 A 76 76 ALA H H 699 8.458 8.068 0.390 2
1 757 . 1 1 A 76 76 ALA CA C 699 55.000 55.038 -0.038 2
1 758 . 1 1 A 76 76 ALA HA H 699 4.132 4.106 0.026 2
1 759 . 1 1 A 76 76 ALA CB C 699 18.785 18.635 0.150 2
1 763 . 1 1 A 77 77 ASN N N 700 116.945 117.038 -0.093 2
1 764 . 1 1 A 77 77 ASN H H 700 7.760 8.322 -0.562 2
1 765 . 1 1 A 77 77 ASN CA C 700 55.210 56.079 -0.869 2
1 766 . 1 1 A 77 77 ASN HA H 700 4.763 4.304 0.459 2
1 767 . 1 1 A 77 77 ASN CB C 700 38.005 37.838 0.167 2
1 770 . 1 1 A 78 78 GLN N N 701 124.719 120.004 4.715 2
1 771 . 1 1 A 78 78 GLN H H 701 9.480 8.491 0.989 2
1 772 . 1 1 A 78 78 GLN CA C 701 59.634 59.287 0.347 2
1 773 . 1 1 A 78 78 GLN HA H 701 3.673 4.135 -0.462 2
1 774 . 1 1 A 78 78 GLN CB C 701 27.114 28.483 -1.369 2
1 782 . 1 1 A 79 79 ARG N N 702 117.069 119.261 -2.192 2
1 783 . 1 1 A 79 79 ARG H H 702 7.654 7.851 -0.197 2
1 784 . 1 1 A 79 79 ARG CA C 702 57.561 59.518 -1.957 2
1 785 . 1 1 A 79 79 ARG HA H 702 4.487 4.048 0.439 2
1 786 . 1 1 A 79 79 ARG CB C 702 29.680 30.003 -0.323 2
1 794 . 1 1 A 80 80 LYS N N 703 119.251 118.638 0.613 2
1 795 . 1 1 A 80 80 LYS H H 703 7.636 8.287 -0.651 2
1 796 . 1 1 A 80 80 LYS CA C 703 60.735 59.378 1.357 2
1 797 . 1 1 A 80 80 LYS HA H 703 3.702 4.081 -0.379 2
1 798 . 1 1 A 80 80 LYS CB C 703 34.002 32.405 1.597 2
1 808 . 1 1 A 81 81 CYS N N 704 115.848 118.425 -2.577 2
1 809 . 1 1 A 81 81 CYS H H 704 8.031 8.278 -0.247 2
1 810 . 1 1 A 81 81 CYS CA C 704 64.823 62.505 2.318 2
1 811 . 1 1 A 81 81 CYS HA H 704 3.687 4.007 -0.320 2
1 812 . 1 1 A 81 81 CYS CB C 704 26.491 26.664 -0.173 2
1 815 . 1 1 A 82 82 GLU N N 705 118.931 120.372 -1.441 2
1 816 . 1 1 A 82 82 GLU H H 705 8.286 8.383 -0.097 2
1 817 . 1 1 A 82 82 GLU CA C 705 59.887 59.348 0.539 2
1 818 . 1 1 A 82 82 GLU HA H 705 3.589 4.129 -0.540 2
1 819 . 1 1 A 82 82 GLU CB C 705 29.067 29.299 -0.232 2
1 825 . 1 1 A 83 83 ARG N N 706 119.029 119.806 -0.777 2
1 826 . 1 1 A 83 83 ARG H H 706 7.931 7.954 -0.023 2
1 827 . 1 1 A 83 83 ARG CA C 706 60.133 58.620 1.513 2
1 828 . 1 1 A 83 83 ARG HA H 706 3.748 4.272 -0.524 2
1 829 . 1 1 A 83 83 ARG CB C 706 30.197 29.985 0.212 2
1 838 . 1 1 A 84 84 VAL N N 707 119.247 119.548 -0.301 2
1 839 . 1 1 A 84 84 VAL H H 707 7.762 7.995 -0.233 2
1 840 . 1 1 A 84 84 VAL CA C 707 67.133 65.865 1.268 2
1 841 . 1 1 A 84 84 VAL HA H 707 3.562 3.941 -0.379 2
1 842 . 1 1 A 84 84 VAL CB C 707 31.857 31.845 0.012 2
1 852 . 1 1 A 85 85 LEU N N 708 119.414 121.055 -1.641 2
1 853 . 1 1 A 85 85 LEU H H 708 8.844 8.762 0.082 2
1 854 . 1 1 A 85 85 LEU CA C 708 57.561 58.428 -0.867 2
1 855 . 1 1 A 85 85 LEU HA H 708 4.366 4.220 0.146 2
1 856 . 1 1 A 85 85 LEU CB C 708 41.320 41.704 -0.384 2
1 869 . 1 1 A 86 86 LEU N N 709 120.156 120.200 -0.044 2
1 870 . 1 1 A 86 86 LEU H H 709 9.044 8.018 1.026 2
1 871 . 1 1 A 86 86 LEU CA C 709 57.977 58.249 -0.273 2
1 872 . 1 1 A 86 86 LEU HA H 709 4.382 4.122 0.260 2
1 873 . 1 1 A 86 86 LEU CB C 709 41.069 41.866 -0.797 2
1 886 . 1 1 A 87 87 ALA N N 710 121.264 120.872 0.392 2
1 887 . 1 1 A 87 87 ALA H H 710 8.136 8.589 -0.453 2
1 888 . 1 1 A 87 87 ALA CA C 710 55.439 55.794 -0.355 2
1 889 . 1 1 A 87 87 ALA HA H 710 4.217 4.503 -0.286 2
1 890 . 1 1 A 87 87 ALA CB C 710 17.525 18.931 -1.406 2
1 894 . 1 1 A 88 88 LEU N N 711 117.148 118.727 -1.579 2
1 895 . 1 1 A 88 88 LEU H H 711 8.158 9.009 -0.851 2
1 896 . 1 1 A 88 88 LEU CA C 711 58.688 57.888 0.801 2
1 897 . 1 1 A 88 88 LEU HA H 711 4.401 3.644 0.757 2
1 898 . 1 1 A 88 88 LEU CB C 711 41.534 42.048 -0.514 2
1 911 . 1 1 A 89 89 PHE N N 712 117.048 117.343 -0.295 2
1 912 . 1 1 A 89 89 PHE H H 712 8.536 9.083 -0.547 2
1 913 . 1 1 A 89 89 PHE CA C 712 62.732 61.014 1.718 2
1 914 . 1 1 A 89 89 PHE HA H 712 3.971 4.803 -0.832 2
1 915 . 1 1 A 89 89 PHE CB C 712 40.351 39.121 1.230 2
1 922 . 1 1 A 90 90 CYS N N 713 111.682 117.573 -5.891 2
1 923 . 1 1 A 90 90 CYS H H 713 7.689 8.874 -1.185 2
1 924 . 1 1 A 90 90 CYS CA C 713 60.573 62.492 -1.919 2
1 925 . 1 1 A 90 90 CYS HA H 713 4.614 4.079 0.535 2
1 926 . 1 1 A 90 90 CYS CB C 713 28.820 27.381 1.439 2
1 929 . 1 1 A 91 91 HIS N N 714 123.036 116.941 6.095 2
1 930 . 1 1 A 91 91 HIS H H 714 7.517 7.722 -0.205 2
1 931 . 1 1 A 91 91 HIS CA C 714 54.945 54.618 0.327 2
1 932 . 1 1 A 91 91 HIS HA H 714 4.939 4.532 0.407 2
1 933 . 1 1 A 91 91 HIS CB C 714 31.433 31.742 -0.309 2
1 940 . 1 1 A 92 92 GLU CA C 715 61.506 60.792 0.713 2
1 941 . 1 1 A 92 92 GLU HA H 715 4.052 3.966 0.086 2
1 942 . 1 1 A 92 92 GLU CB C 715 26.765 29.272 -2.507 2
1 947 . 1 1 A 93 93 PRO CA C 716 65.272 66.386 -1.114 2
1 948 . 1 1 A 93 93 PRO HA H 716 4.294 4.434 -0.140 2
1 949 . 1 1 A 93 93 PRO CB C 716 31.486 31.039 0.447 2
1 958 . 1 1 A 94 94 CYS N N 717 110.309 115.692 -5.383 2
1 959 . 1 1 A 94 94 CYS H H 717 7.667 8.511 -0.844 2
1 960 . 1 1 A 94 94 CYS CA C 717 58.484 62.143 -3.659 2
1 961 . 1 1 A 94 94 CYS HA H 717 4.406 4.220 0.187 2
1 962 . 1 1 A 94 94 CYS CB C 717 28.612 27.383 1.229 2
1 965 . 1 1 A 95 95 ARG N N 718 122.655 120.391 2.264 2
1 966 . 1 1 A 95 95 ARG H H 718 7.928 8.372 -0.444 2
1 967 . 1 1 A 95 95 ARG CA C 718 60.829 60.300 0.529 2
1 968 . 1 1 A 95 95 ARG HA H 718 3.740 3.006 0.734 2
1 969 . 1 1 A 95 95 ARG CB C 718 28.131 29.069 -0.938 2
1 977 . 1 1 A 96 96 PRO CA C 719 65.328 66.087 -0.759 2
1 978 . 1 1 A 96 96 PRO HA H 719 4.456 4.175 0.281 2
1 979 . 1 1 A 96 96 PRO CB C 719 31.665 30.534 1.131 2
1 987 . 1 1 A 97 97 LEU N N 720 112.429 117.074 -4.645 2
1 988 . 1 1 A 97 97 LEU H H 720 7.720 7.050 0.670 2
1 989 . 1 1 A 97 97 LEU CA C 720 54.707 57.247 -2.540 2
1 990 . 1 1 A 97 97 LEU HA H 720 4.228 3.656 0.572 2
1 991 . 1 1 A 97 97 LEU CB C 720 40.391 41.260 -0.869 2
1 1004 . 1 1 A 98 98 HIS N N 721 118.891 116.724 2.168 2
1 1005 . 1 1 A 98 98 HIS H H 721 7.964 8.624 -0.660 2
1 1006 . 1 1 A 98 98 HIS CA C 721 60.901 58.201 2.700 2
1 1007 . 1 1 A 98 98 HIS HA H 721 4.190 4.036 0.154 2
1 1008 . 1 1 A 98 98 HIS CB C 721 31.678 29.520 2.158 2
1 1015 . 1 1 A 99 99 GLN N N 722 116.787 115.844 0.943 2
1 1016 . 1 1 A 99 99 GLN H H 722 8.090 7.628 0.462 2
1 1017 . 1 1 A 99 99 GLN CA C 722 55.180 54.762 0.418 2
1 1018 . 1 1 A 99 99 GLN HA H 722 4.808 4.620 0.188 2
1 1019 . 1 1 A 99 99 GLN CB C 722 30.690 30.012 0.678 2
1 1024 . 1 1 A 100 100 LEU H H 723 9.277 8.356 0.921 2
1 1025 . 1 1 A 100 100 LEU CA C 723 55.397 56.318 -0.921 2
1 1026 . 1 1 A 100 100 LEU HA H 723 4.566 4.345 0.221 2
1 1027 . 1 1 A 100 100 LEU CB C 723 43.862 43.471 0.391 2
1 1040 . 1 1 A 101 101 ALA N N 724 123.211 121.160 2.051 2
1 1041 . 1 1 A 101 101 ALA H H 724 8.577 7.643 0.934 2
1 1042 . 1 1 A 101 101 ALA CA C 724 52.591 51.644 0.947 2
1 1043 . 1 1 A 101 101 ALA HA H 724 4.392 4.379 0.013 2
1 1044 . 1 1 A 101 101 ALA CB C 724 19.262 19.964 -0.702 2
1 1048 . 1 1 A 102 102 THR N N 725 112.189 110.541 1.648 2
1 1049 . 1 1 A 102 102 THR H H 725 8.069 8.317 -0.248 2
1 1050 . 1 1 A 102 102 THR CA C 725 61.802 60.941 0.861 2
1 1051 . 1 1 A 102 102 THR HA H 725 4.366 4.662 -0.296 2
1 1052 . 1 1 A 102 102 THR CB C 725 69.684 69.042 0.642 2
1 1058 . 1 1 A 103 103 ASP N N 726 121.846 123.305 -1.459 2
1 1059 . 1 1 A 103 103 ASP H H 726 8.195 8.015 0.180 2
1 1060 . 1 1 A 103 103 ASP CA C 726 54.057 55.763 -1.706 2
1 1061 . 1 1 A 103 103 ASP HA H 726 4.681 4.475 0.206 2
1 1062 . 1 1 A 103 103 ASP CB C 726 41.228 40.202 1.026 2
1 1064 . 1 1 A 104 104 SER N N 727 116.230 116.303 -0.073 2
1 1065 . 1 1 A 104 104 SER H H 727 8.260 8.360 -0.100 2
1 1066 . 1 1 A 104 104 SER CA C 727 58.945 58.399 0.546 2
1 1067 . 1 1 A 104 104 SER HA H 727 4.468 4.454 0.014 2
1 1068 . 1 1 A 104 104 SER CB C 727 63.856 63.060 0.796 2
1 1070 . 1 1 A 105 105 THR N N 728 115.362 112.371 2.991 2
1 1071 . 1 1 A 105 105 THR H H 728 8.205 8.074 0.131 2
1 1072 . 1 1 A 105 105 THR CA C 728 62.744 62.752 -0.008 2
1 1073 . 1 1 A 105 105 THR HA H 728 4.238 4.188 0.050 2
1 1074 . 1 1 A 105 105 THR CB C 728 69.490 68.036 1.454 2
1 1080 . 1 1 A 106 106 PHE N N 729 121.735 119.702 2.033 2
1 1081 . 1 1 A 106 106 PHE H H 729 8.047 7.932 0.115 2
1 1082 . 1 1 A 106 106 PHE CA C 729 57.966 57.817 0.149 2
1 1083 . 1 1 A 106 106 PHE HA H 729 4.626 4.714 -0.088 2
1 1084 . 1 1 A 106 106 PHE CB C 729 39.633 40.839 -1.206 2
1 1090 . 1 1 A 107 107 SER N N 730 116.751 114.835 1.916 2
1 1091 . 1 1 A 107 107 SER H H 730 7.962 8.236 -0.274 2
1 1092 . 1 1 A 107 107 SER CA C 730 57.921 60.367 -2.447 2
1 1093 . 1 1 A 107 107 SER HA H 730 4.413 4.290 0.123 2
1 1094 . 1 1 A 107 107 SER CB C 730 63.659 63.011 0.648 2
1 1097 . 1 1 A 108 108 LEU N N 731 123.373 119.640 3.733 2
1 1098 . 1 1 A 108 108 LEU H H 731 8.212 8.081 0.131 2
1 1099 . 1 1 A 108 108 LEU CA C 731 55.650 57.275 -1.625 2
1 1100 . 1 1 A 108 108 LEU HA H 731 4.265 4.186 0.079 2
1 1101 . 1 1 A 108 108 LEU CB C 731 42.257 41.817 0.440 2
1 1113 . 1 1 A 109 109 ASP N N 732 118.496 118.931 -0.435 2
1 1114 . 1 1 A 109 109 ASP H H 732 8.172 8.130 0.042 2
1 1115 . 1 1 A 109 109 ASP CA C 732 54.239 53.425 0.814 2
1 1116 . 1 1 A 109 109 ASP HA H 732 4.566 4.833 -0.267 2
1 1117 . 1 1 A 109 109 ASP CB C 732 41.124 41.536 -0.412 2
1 1120 . 1 1 A 110 110 GLN N N 733 119.403 120.022 -0.619 2
1 1121 . 1 1 A 110 110 GLN H H 733 7.707 7.671 0.036 2
1 1122 . 1 1 A 110 110 GLN CA C 733 53.251 54.516 -1.265 2
1 1123 . 1 1 A 110 110 GLN HA H 733 4.675 4.105 0.570 2
1 1124 . 1 1 A 110 110 GLN CB C 733 29.061 28.905 0.156 2
1 1129 . 1 1 A 111 111 PRO CA C 734 63.869 63.745 0.124 2
1 1130 . 1 1 A 111 111 PRO HA H 734 4.435 4.383 0.052 2
1 1131 . 1 1 A 111 111 PRO CB C 734 31.900 31.372 0.528 2
1 1139 . 1 1 A 112 112 GLY N N 735 109.783 107.425 2.358 2
1 1140 . 1 1 A 112 112 GLY H H 735 8.510 7.743 0.767 2
1 1141 . 1 1 A 112 112 GLY CA C 735 44.954 45.598 -0.644 2
1 1142 . 1 1 A 112 112 GLY HA3 H 735 3.903 4.011 -0.108 2
1 1143 . 1 1 A 112 112 GLY HA2 H 735 3.994 4.002 -0.008 2
1 1144 . 1 1 A 113 113 GLY N N 736 108.485 108.467 0.018 2
1 1145 . 1 1 A 113 113 GLY H H 736 8.138 8.183 -0.045 2
1 1146 . 1 1 A 113 113 GLY CA C 736 44.755 45.412 -0.657 2
1 1147 . 1 1 A 113 113 GLY HA3 H 736 3.899 3.959 -0.060 2
1 1148 . 1 1 A 113 113 GLY HA2 H 736 3.964 3.926 0.038 2
1 1149 . 1 1 A 114 114 THR N N 737 116.361 114.276 2.085 2
1 1150 . 1 1 A 114 114 THR H H 737 7.951 8.331 -0.380 2
1 1151 . 1 1 A 114 114 THR CA C 737 62.508 62.418 0.090 2
1 1152 . 1 1 A 114 114 THR HA H 737 4.189 4.588 -0.400 2
1 1153 . 1 1 A 114 114 THR CB C 737 69.780 71.083 -1.303 2
1 1159 . 1 1 A 115 115 LEU N N 738 125.899 122.203 3.696 2
1 1160 . 1 1 A 115 115 LEU H H 738 8.575 8.132 0.443 2
1 1161 . 1 1 A 115 115 LEU CA C 738 54.534 55.434 -0.900 2
1 1162 . 1 1 A 115 115 LEU HA H 738 4.452 4.376 0.076 2
1 1163 . 1 1 A 115 115 LEU CB C 738 45.506 41.819 3.687 2
1 1176 . 1 1 A 116 116 ASP N N 739 115.416 119.671 -4.255 2
1 1177 . 1 1 A 116 116 ASP H H 739 6.819 8.421 -1.602 2
1 1178 . 1 1 A 116 116 ASP CA C 739 52.606 52.967 -0.361 2
1 1179 . 1 1 A 116 116 ASP HA H 739 4.472 4.902 -0.430 2
1 1180 . 1 1 A 116 116 ASP CB C 739 42.811 42.451 0.360 2
1 1183 . 1 1 A 117 117 LEU N N 740 115.281 120.307 -5.026 2
1 1184 . 1 1 A 117 117 LEU H H 740 8.213 8.629 -0.416 2
1 1185 . 1 1 A 117 117 LEU CA C 740 57.750 57.645 0.105 2
1 1186 . 1 1 A 117 117 LEU HA H 740 3.841 3.869 -0.028 2
1 1187 . 1 1 A 117 117 LEU CB C 740 42.005 41.265 0.740 2
1 1200 . 1 1 A 118 118 THR N N 741 116.995 111.631 5.364 2
1 1201 . 1 1 A 118 118 THR H H 741 8.152 7.869 0.283 2
1 1202 . 1 1 A 118 118 THR CA C 741 68.068 65.805 2.263 2
1 1203 . 1 1 A 118 118 THR HA H 741 4.054 4.183 -0.129 2
1 1204 . 1 1 A 118 118 THR CB C 741 68.392 68.516 -0.124 2
1 1210 . 1 1 A 119 119 LEU N N 742 127.180 122.622 4.558 2
1 1211 . 1 1 A 119 119 LEU H H 742 8.804 8.063 0.741 2
1 1212 . 1 1 A 119 119 LEU CA C 742 58.460 58.301 0.159 2
1 1213 . 1 1 A 119 119 LEU HA H 742 4.214 3.969 0.245 2
1 1214 . 1 1 A 119 119 LEU CB C 742 42.491 41.897 0.594 2
1 1227 . 1 1 A 120 120 ILE N N 743 120.880 119.692 1.188 2
1 1228 . 1 1 A 120 120 ILE H H 743 7.884 8.053 -0.169 2
1 1229 . 1 1 A 120 120 ILE CA C 743 65.546 65.223 0.323 2
1 1230 . 1 1 A 120 120 ILE HA H 743 4.101 3.634 0.467 2
1 1231 . 1 1 A 120 120 ILE CB C 743 38.693 37.563 1.130 2
1 1244 . 1 1 A 121 121 ARG N N 744 119.772 121.637 -1.865 2
1 1245 . 1 1 A 121 121 ARG H H 744 8.792 8.504 0.288 2
1 1246 . 1 1 A 121 121 ARG CA C 744 60.369 59.405 0.964 2
1 1247 . 1 1 A 121 121 ARG HA H 744 3.896 3.863 0.033 2
1 1248 . 1 1 A 121 121 ARG CB C 744 30.241 30.069 0.172 2
1 1257 . 1 1 A 122 122 ALA N N 745 120.978 121.305 -0.327 2
1 1258 . 1 1 A 122 122 ALA H H 745 8.303 8.140 0.163 2
1 1259 . 1 1 A 122 122 ALA CA C 745 55.203 55.072 0.131 2
1 1260 . 1 1 A 122 122 ALA HA H 745 4.246 4.006 0.240 2
1 1261 . 1 1 A 122 122 ALA CB C 745 18.005 18.293 -0.288 2
1 1265 . 1 1 A 123 123 ARG N N 746 119.408 118.153 1.255 2
1 1266 . 1 1 A 123 123 ARG H H 746 8.224 7.747 0.477 2
1 1267 . 1 1 A 123 123 ARG CA C 746 59.895 59.105 0.790 2
1 1268 . 1 1 A 123 123 ARG HA H 746 4.335 3.914 0.421 2
1 1269 . 1 1 A 123 123 ARG CB C 746 29.768 29.655 0.113 2
1 1279 . 1 1 A 124 124 LEU N N 747 125.115 120.572 4.543 2
1 1280 . 1 1 A 124 124 LEU H H 747 9.029 7.989 1.040 2
1 1281 . 1 1 A 124 124 LEU CA C 747 57.559 57.592 -0.033 2
1 1282 . 1 1 A 124 124 LEU HA H 747 4.925 3.832 1.093 2
1 1283 . 1 1 A 124 124 LEU CB C 747 42.721 41.414 1.307 2
1 1296 . 1 1 A 125 125 GLN N N 748 114.117 116.702 -2.585 2
1 1297 . 1 1 A 125 125 GLN H H 748 8.418 7.939 0.479 2
1 1298 . 1 1 A 125 125 GLN CA C 748 55.664 56.737 -1.073 2
1 1299 . 1 1 A 125 125 GLN HA H 748 4.444 4.286 0.158 2
1 1300 . 1 1 A 125 125 GLN CB C 748 29.301 29.117 0.184 2
1 1309 . 1 1 A 126 126 GLU N N 749 113.381 117.134 -3.753 2
1 1310 . 1 1 A 126 126 GLU H H 749 7.978 8.170 -0.192 2
1 1311 . 1 1 A 126 126 GLU CA C 749 57.789 57.127 0.662 2
1 1312 . 1 1 A 126 126 GLU HA H 749 4.156 4.501 -0.345 2
1 1313 . 1 1 A 126 126 GLU CB C 749 25.906 30.449 -4.543 2
1 1318 . 1 1 A 127 127 LYS N N 750 116.557 120.538 -3.981 2
1 1319 . 1 1 A 127 127 LYS H H 750 8.538 8.081 0.457 2
1 1320 . 1 1 A 127 127 LYS CA C 750 56.417 58.839 -2.422 2
1 1321 . 1 1 A 127 127 LYS HA H 750 4.344 4.074 0.270 2
1 1322 . 1 1 A 127 127 LYS CB C 750 33.029 32.272 0.757 2
1 1332 . 1 1 A 128 128 LEU N N 751 119.986 120.638 -0.652 2
1 1333 . 1 1 A 128 128 LEU H H 751 6.949 7.727 -0.778 2
1 1334 . 1 1 A 128 128 LEU CA C 751 53.476 56.991 -3.515 2
1 1335 . 1 1 A 128 128 LEU HA H 751 4.532 4.167 0.365 2
1 1336 . 1 1 A 128 128 LEU CB C 751 45.503 42.473 3.030 2
1 1349 . 1 1 A 129 129 SER N N 752 118.455 112.767 5.688 2
1 1350 . 1 1 A 129 129 SER H H 752 8.225 7.982 0.243 2
1 1351 . 1 1 A 129 129 SER CA C 752 56.129 58.149 -2.020 2
1 1352 . 1 1 A 129 129 SER HA H 752 4.434 4.744 -0.310 2
1 1353 . 1 1 A 129 129 SER CB C 752 63.911 65.091 -1.179 2
1 1356 . 1 1 A 130 130 PRO CA C 753 61.355 62.893 -1.538 2
1 1357 . 1 1 A 130 130 PRO HA H 753 5.026 4.563 0.463 2
1 1358 . 1 1 A 130 130 PRO CB C 753 32.831 32.618 0.213 2
1 1366 . 1 1 A 131 131 PRO CA C 754 62.470 62.914 -0.445 2
1 1367 . 1 1 A 131 131 PRO HA H 754 4.651 4.535 0.116 2
1 1368 . 1 1 A 131 131 PRO CB C 754 32.403 32.406 -0.003 2
1 1377 . 1 1 A 132 132 TYR N N 755 121.321 120.498 0.823 2
1 1378 . 1 1 A 132 132 TYR H H 755 9.635 8.440 1.196 2
1 1379 . 1 1 A 132 132 TYR CA C 755 60.382 58.565 1.817 2
1 1380 . 1 1 A 132 132 TYR HA H 755 4.433 4.779 -0.346 2
1 1381 . 1 1 A 132 132 TYR CB C 755 38.713 38.512 0.201 2
1 1388 . 1 1 A 133 133 SER N N 756 114.917 117.653 -2.736 2
1 1389 . 1 1 A 133 133 SER H H 756 9.343 8.591 0.752 2
1 1390 . 1 1 A 133 133 SER CA C 756 58.776 57.850 0.926 2
1 1391 . 1 1 A 133 133 SER HA H 756 4.430 4.715 -0.285 2
1 1392 . 1 1 A 133 133 SER CB C 756 64.839 64.644 0.195 2
1 1394 . 1 1 A 134 134 SER N N 757 112.021 113.616 -1.595 2
1 1395 . 1 1 A 134 134 SER H H 757 7.500 7.418 0.082 2
1 1396 . 1 1 A 134 134 SER CA C 757 56.158 56.193 -0.035 2
1 1397 . 1 1 A 134 134 SER HA H 757 4.950 4.685 0.265 2
1 1398 . 1 1 A 134 134 SER CB C 757 63.906 65.339 -1.433 2
1 1401 . 1 1 A 135 135 PRO CA C 758 64.159 65.026 -0.867 2
1 1402 . 1 1 A 135 135 PRO HA H 758 4.132 4.450 -0.318 2
1 1403 . 1 1 A 135 135 PRO CB C 758 31.649 31.999 -0.350 2
1 1412 . 1 1 A 136 136 GLN N N 759 116.382 116.985 -0.603 2
1 1413 . 1 1 A 136 136 GLN H H 759 8.067 8.253 -0.186 2
1 1414 . 1 1 A 136 136 GLN CA C 759 59.483 58.620 0.863 2
1 1415 . 1 1 A 136 136 GLN HA H 759 3.963 4.107 -0.144 2
1 1416 . 1 1 A 136 136 GLN CB C 759 27.414 28.243 -0.829 2
1 1425 . 1 1 A 137 137 GLU N N 760 121.764 119.407 2.357 2
1 1426 . 1 1 A 137 137 GLU H H 760 7.826 8.408 -0.582 2
1 1427 . 1 1 A 137 137 GLU CA C 760 59.184 59.290 -0.106 2
1 1428 . 1 1 A 137 137 GLU HA H 760 4.063 3.963 0.100 2
1 1429 . 1 1 A 137 137 GLU CB C 760 30.403 29.244 1.159 2
1 1435 . 1 1 A 138 138 PHE N N 761 120.582 120.172 0.410 2
1 1436 . 1 1 A 138 138 PHE H H 761 6.900 8.250 -1.350 2
1 1437 . 1 1 A 138 138 PHE CA C 761 60.105 61.093 -0.988 2
1 1438 . 1 1 A 138 138 PHE HA H 761 3.604 4.371 -0.767 2
1 1439 . 1 1 A 138 138 PHE CB C 761 38.271 39.069 -0.798 2
1 1448 . 1 1 A 139 139 ALA N N 762 120.917 122.114 -1.197 2
1 1449 . 1 1 A 139 139 ALA H H 762 8.399 8.395 0.004 2
1 1450 . 1 1 A 139 139 ALA CA C 762 54.940 55.289 -0.349 2
1 1451 . 1 1 A 139 139 ALA HA H 762 3.804 4.249 -0.445 2
1 1452 . 1 1 A 139 139 ALA CB C 762 18.001 18.426 -0.425 2
1 1456 . 1 1 A 140 140 GLN N N 763 119.041 117.483 1.558 2
1 1457 . 1 1 A 140 140 GLN H H 763 8.436 8.367 0.069 2
1 1458 . 1 1 A 140 140 GLN CA C 763 58.474 58.641 -0.167 2
1 1459 . 1 1 A 140 140 GLN HA H 763 4.056 4.072 -0.016 2
1 1460 . 1 1 A 140 140 GLN CB C 763 28.345 28.258 0.087 2
1 1469 . 1 1 A 141 141 ASP N N 764 122.985 119.818 3.167 2
1 1470 . 1 1 A 141 141 ASP H H 764 7.694 7.868 -0.174 2
1 1471 . 1 1 A 141 141 ASP CA C 764 57.087 56.806 0.281 2
1 1472 . 1 1 A 141 141 ASP HA H 764 4.517 4.416 0.101 2
1 1473 . 1 1 A 141 141 ASP CB C 764 39.897 40.727 -0.830 2
1 1476 . 1 1 A 142 142 VAL N N 765 119.630 119.899 -0.269 2
1 1477 . 1 1 A 142 142 VAL H H 765 7.431 8.234 -0.803 2
1 1478 . 1 1 A 142 142 VAL CA C 765 66.489 65.672 0.816 2
1 1479 . 1 1 A 142 142 VAL HA H 765 2.740 3.303 -0.563 2
1 1480 . 1 1 A 142 142 VAL CB C 765 30.729 30.967 -0.238 2
1 1490 . 1 1 A 143 143 GLY N N 766 104.089 107.658 -3.569 2
1 1491 . 1 1 A 143 143 GLY H H 766 8.089 8.273 -0.184 2
1 1492 . 1 1 A 143 143 GLY CA C 766 47.271 46.721 0.550 2
1 1493 . 1 1 A 143 143 GLY HA3 H 766 3.783 3.726 0.057 2
1 1494 . 1 1 A 143 143 GLY HA2 H 766 3.870 3.610 0.260 2
1 1495 . 1 1 A 144 144 ARG N N 767 123.406 121.989 1.417 2
1 1496 . 1 1 A 144 144 ARG H H 767 8.270 8.074 0.196 2
1 1497 . 1 1 A 144 144 ARG CA C 767 59.627 59.047 0.580 2
1 1498 . 1 1 A 144 144 ARG HA H 767 4.026 4.076 -0.050 2
1 1499 . 1 1 A 144 144 ARG CB C 767 30.003 30.177 -0.174 2
1 1507 . 1 1 A 145 145 MET N N 768 121.310 118.778 2.532 2
1 1508 . 1 1 A 145 145 MET H H 768 8.053 8.462 -0.409 2
1 1509 . 1 1 A 145 145 MET CA C 768 58.727 58.865 -0.138 2
1 1510 . 1 1 A 145 145 MET HA H 768 3.932 4.134 -0.202 2
1 1511 . 1 1 A 145 145 MET CB C 768 31.536 32.049 -0.513 2
1 1521 . 1 1 A 146 146 PHE N N 769 117.125 118.179 -1.054 2
1 1522 . 1 1 A 146 146 PHE H H 769 8.005 8.482 -0.477 2
1 1523 . 1 1 A 146 146 PHE CA C 769 59.441 61.496 -2.055 2
1 1524 . 1 1 A 146 146 PHE HA H 769 4.582 4.488 0.094 2
1 1525 . 1 1 A 146 146 PHE CB C 769 37.558 38.554 -0.996 2
1 1534 . 1 1 A 147 147 LYS N N 770 119.226 118.996 0.230 2
1 1535 . 1 1 A 147 147 LYS H H 770 8.078 8.099 -0.021 2
1 1536 . 1 1 A 147 147 LYS CA C 770 59.479 59.663 -0.184 2
1 1537 . 1 1 A 147 147 LYS HA H 770 4.153 3.970 0.183 2
1 1538 . 1 1 A 147 147 LYS CB C 770 32.336 32.244 0.092 2
1 1547 . 1 1 A 148 148 GLN N N 771 118.870 118.209 0.661 2
1 1548 . 1 1 A 148 148 GLN H H 771 8.338 8.291 0.047 2
1 1549 . 1 1 A 148 148 GLN CA C 771 58.440 58.351 0.089 2
1 1550 . 1 1 A 148 148 GLN HA H 771 4.140 4.149 -0.009 2
1 1551 . 1 1 A 148 148 GLN CB C 771 28.382 28.423 -0.041 2
1 1560 . 1 1 A 149 149 PHE N N 772 120.162 121.386 -1.224 2
1 1561 . 1 1 A 149 149 PHE H H 772 8.411 8.534 -0.123 2
1 1562 . 1 1 A 149 149 PHE CA C 772 60.460 61.250 -0.790 2
1 1563 . 1 1 A 149 149 PHE HA H 772 4.433 4.159 0.274 2
1 1564 . 1 1 A 149 149 PHE CB C 772 39.428 39.295 0.133 2
1 1573 . 1 1 A 150 150 ASN N N 773 117.836 117.120 0.716 2
1 1574 . 1 1 A 150 150 ASN H H 773 8.279 8.489 -0.210 2
1 1575 . 1 1 A 150 150 ASN HA H 773 4.375 4.484 -0.109 2
1 1576 . 1 1 A 150 150 ASN CB C 773 38.977 38.571 0.406 2
1 1582 . 1 1 A 151 151 LYS N N 774 118.045 117.162 0.883 2
1 1583 . 1 1 A 151 151 LYS H H 774 7.648 7.772 -0.124 2
1 1584 . 1 1 A 151 151 LYS CA C 774 57.563 57.323 0.240 2
1 1585 . 1 1 A 151 151 LYS HA H 774 4.225 4.300 -0.075 2
1 1586 . 1 1 A 151 151 LYS CB C 774 32.333 32.828 -0.495 2
1 1595 . 1 1 A 152 152 LEU N N 775 119.031 118.210 0.821 2
1 1596 . 1 1 A 152 152 LEU H H 775 7.825 7.999 -0.174 2
1 1597 . 1 1 A 152 152 LEU CA C 775 55.990 56.700 -0.710 2
1 1598 . 1 1 A 152 152 LEU HA H 775 4.270 4.230 0.040 2
1 1599 . 1 1 A 152 152 LEU CB C 775 42.487 42.080 0.407 2
1 1612 . 1 1 A 153 153 THR N N 776 110.107 111.984 -1.877 2
1 1613 . 1 1 A 153 153 THR H H 776 7.525 8.037 -0.512 2
1 1614 . 1 1 A 153 153 THR CA C 776 61.535 63.921 -2.386 2
1 1615 . 1 1 A 153 153 THR HA H 776 4.332 4.104 0.228 2
1 1616 . 1 1 A 153 153 THR CB C 776 69.570 68.055 1.515 2
1 1622 . 1 1 A 154 154 GLU N N 777 122.427 121.335 1.092 2
1 1623 . 1 1 A 154 154 GLU H H 777 8.027 8.262 -0.235 2
1 1624 . 1 1 A 154 154 GLU CA C 777 57.720 58.402 -0.682 2
1 1625 . 1 1 A 154 154 GLU HA H 777 4.216 4.148 0.068 2
1 1626 . 1 1 A 154 154 GLU CB C 777 29.977 28.710 1.267 2
1 1631 . 1 1 A 155 155 ASP N N 778 119.283 119.031 0.252 2
1 1632 . 1 1 A 155 155 ASP H H 778 8.372 8.126 0.247 2
1 1633 . 1 1 A 155 155 ASP CA C 778 54.709 55.440 -0.731 2
1 1634 . 1 1 A 155 155 ASP HA H 778 4.602 4.619 -0.017 2
1 1635 . 1 1 A 155 155 ASP CB C 778 40.600 41.423 -0.823 2
1 1638 . 1 1 A 156 156 LYS N N 779 120.684 118.454 2.230 2
1 1639 . 1 1 A 156 156 LYS H H 779 8.068 7.702 0.366 2
1 1640 . 1 1 A 156 156 LYS CA C 779 56.388 56.250 0.138 2
1 1641 . 1 1 A 156 156 LYS HA H 779 4.333 4.331 0.002 2
1 1642 . 1 1 A 156 156 LYS CB C 779 32.814 33.300 -0.486 2
1 1651 . 1 1 A 157 157 ALA N N 780 123.182 122.586 0.596 2
1 1652 . 1 1 A 157 157 ALA H H 780 8.197 8.388 -0.191 2
1 1653 . 1 1 A 157 157 ALA CA C 780 52.591 53.458 -0.867 2
1 1654 . 1 1 A 157 157 ALA HA H 780 4.337 4.231 0.106 2
1 1655 . 1 1 A 157 157 ALA CB C 780 19.186 19.010 0.176 2
1 1659 . 1 1 A 158 158 ASP N N 781 118.794 115.563 3.231 2
1 1660 . 1 1 A 158 158 ASP H H 781 8.222 7.743 0.479 2
1 1661 . 1 1 A 158 158 ASP CA C 781 54.003 54.759 -0.756 2
1 1662 . 1 1 A 158 158 ASP HA H 781 4.673 4.724 -0.051 2
1 1663 . 1 1 A 158 158 ASP CB C 781 41.075 41.507 -0.432 2
1 1666 . 1 1 A 159 159 VAL N N 782 120.713 118.632 2.081 2
1 1667 . 1 1 A 159 159 VAL H H 782 8.039 8.108 -0.069 2
1 1668 . 1 1 A 159 159 VAL CA C 782 63.898 64.843 -0.945 2
1 1669 . 1 1 A 159 159 VAL HA H 782 4.028 3.821 0.207 2
1 1670 . 1 1 A 159 159 VAL CB C 782 32.181 31.842 0.339 2
1 1680 . 1 1 A 160 160 GLN N N 783 120.756 121.162 -0.406 2
1 1681 . 1 1 A 160 160 GLN H H 783 8.370 8.103 0.267 2
1 1682 . 1 1 A 160 160 GLN CA C 783 57.563 57.478 0.085 2
1 1683 . 1 1 A 160 160 GLN HA H 783 4.219 4.136 0.083 2
1 1684 . 1 1 A 160 160 GLN CB C 783 28.410 28.479 -0.069 2
1 1691 . 1 1 A 161 161 SER N N 784 116.111 114.367 1.744 2
1 1692 . 1 1 A 161 161 SER H H 784 8.190 8.001 0.189 2
1 1693 . 1 1 A 161 161 SER CA C 784 60.089 60.953 -0.864 2
1 1694 . 1 1 A 161 161 SER HA H 784 4.361 4.336 0.025 2
1 1695 . 1 1 A 161 161 SER CB C 784 62.955 63.148 -0.193 2
1 1698 . 1 1 A 162 162 ILE N N 785 122.105 121.879 0.226 2
1 1699 . 1 1 A 162 162 ILE H H 785 8.014 7.737 0.277 2
1 1700 . 1 1 A 162 162 ILE CA C 785 62.963 64.509 -1.546 2
1 1701 . 1 1 A 162 162 ILE HA H 785 3.986 3.433 0.554 2
1 1702 . 1 1 A 162 162 ILE CB C 785 37.568 37.391 0.177 2
1 1715 . 1 1 A 163 163 ILE N N 786 122.150 120.702 1.448 2
1 1716 . 1 1 A 163 163 ILE H H 786 7.913 8.508 -0.595 2
1 1717 . 1 1 A 163 163 ILE CA C 786 64.074 64.980 -0.906 2
1 1718 . 1 1 A 163 163 ILE HA H 786 3.947 3.667 0.280 2
1 1719 . 1 1 A 163 163 ILE CB C 786 37.561 37.727 -0.166 2
1 1732 . 1 1 A 164 164 GLY N N 787 107.177 108.086 -0.909 2
1 1733 . 1 1 A 164 164 GLY H H 787 8.057 8.110 -0.053 2
1 1734 . 1 1 A 164 164 GLY CA C 787 46.938 47.082 -0.144 2
1 1735 . 1 1 A 164 164 GLY HA3 H 787 3.907 3.771 0.136 2
1 1736 . 1 1 A 164 164 GLY HA2 H 787 4.007 3.741 0.266 2
1 1737 . 1 1 A 165 165 LEU N N 788 123.590 122.642 0.948 2
1 1738 . 1 1 A 165 165 LEU H H 788 7.676 7.867 -0.191 2
1 1739 . 1 1 A 165 165 LEU CA C 788 57.738 57.491 0.247 2
1 1740 . 1 1 A 165 165 LEU HA H 788 4.052 4.047 0.005 2
1 1741 . 1 1 A 165 165 LEU CB C 788 40.833 41.540 -0.707 2
1 1753 . 1 1 A 166 166 GLN N N 789 119.114 117.490 1.624 2
1 1754 . 1 1 A 166 166 GLN H H 789 7.956 8.382 -0.426 2
1 1755 . 1 1 A 166 166 GLN CA C 789 59.445 58.965 0.480 2
1 1756 . 1 1 A 166 166 GLN HA H 789 3.844 3.429 0.415 2
1 1757 . 1 1 A 166 166 GLN CB C 789 27.826 28.005 -0.179 2
1 1765 . 1 1 A 167 167 ARG N N 790 118.851 119.657 -0.806 2
1 1766 . 1 1 A 167 167 ARG H H 790 8.387 8.213 0.174 2
1 1767 . 1 1 A 167 167 ARG CA C 790 58.942 58.819 0.123 2
1 1768 . 1 1 A 167 167 ARG HA H 790 4.191 4.122 0.069 2
1 1769 . 1 1 A 167 167 ARG CB C 790 29.829 30.373 -0.544 2
1 1776 . 1 1 A 168 168 PHE N N 791 122.408 121.175 1.233 2
1 1777 . 1 1 A 168 168 PHE H H 791 8.127 8.194 -0.067 2
1 1778 . 1 1 A 168 168 PHE CA C 791 61.976 61.506 0.470 2
1 1779 . 1 1 A 168 168 PHE HA H 791 4.164 4.324 -0.160 2
1 1780 . 1 1 A 168 168 PHE CB C 791 38.894 39.326 -0.432 2
1 1788 . 1 1 A 169 169 PHE N N 792 119.223 120.641 -1.418 2
1 1789 . 1 1 A 169 169 PHE H H 792 8.500 9.156 -0.656 2
1 1790 . 1 1 A 169 169 PHE CA C 792 61.093 62.179 -1.086 2
1 1791 . 1 1 A 169 169 PHE HA H 792 4.053 4.410 -0.356 2
1 1792 . 1 1 A 169 169 PHE CB C 792 39.182 39.686 -0.504 2
1 1800 . 1 1 A 170 170 GLU N N 793 119.089 118.239 0.850 2
1 1801 . 1 1 A 170 170 GLU H H 793 8.718 8.317 0.401 2
1 1802 . 1 1 A 170 170 GLU CA C 793 59.843 59.128 0.715 2
1 1803 . 1 1 A 170 170 GLU HA H 793 3.483 3.674 -0.191 2
1 1804 . 1 1 A 170 170 GLU CB C 793 29.372 29.269 0.103 2
1 1810 . 1 1 A 171 171 THR N N 794 115.081 117.533 -2.452 2
1 1811 . 1 1 A 171 171 THR H H 794 8.205 7.999 0.206 2
1 1812 . 1 1 A 171 171 THR CA C 794 66.661 66.575 0.086 2
1 1813 . 1 1 A 171 171 THR HA H 794 3.935 3.752 0.183 2
1 1814 . 1 1 A 171 171 THR CB C 794 68.604 68.570 0.034 2
1 1820 . 1 1 A 172 172 ARG N N 795 120.165 119.365 0.800 2
1 1821 . 1 1 A 172 172 ARG H H 795 7.776 7.836 -0.060 2
1 1822 . 1 1 A 172 172 ARG CA C 795 57.535 59.376 -1.841 2
1 1823 . 1 1 A 172 172 ARG HA H 795 4.030 4.080 -0.050 2
1 1824 . 1 1 A 172 172 ARG CB C 795 29.886 29.980 -0.094 2
1 1828 . 1 1 A 173 173 MET N N 796 120.347 119.213 1.134 2
1 1829 . 1 1 A 173 173 MET H H 796 8.503 8.004 0.499 2
1 1830 . 1 1 A 173 173 MET CA C 796 57.453 57.931 -0.478 2
1 1831 . 1 1 A 173 173 MET HA H 796 4.383 4.130 0.253 2
1 1832 . 1 1 A 173 173 MET CB C 796 30.469 32.029 -1.559 2
1 1840 . 1 1 A 174 174 ASN N N 797 119.200 117.549 1.651 2
1 1841 . 1 1 A 174 174 ASN H H 797 8.351 7.743 0.608 2
1 1842 . 1 1 A 174 174 ASN CA C 797 55.851 55.733 0.118 2
1 1843 . 1 1 A 174 174 ASN HA H 797 4.510 4.463 0.047 2
1 1844 . 1 1 A 174 174 ASN CB C 797 38.213 38.655 -0.442 2
1 1850 . 1 1 A 175 175 GLU N N 798 119.589 118.933 0.656 2
1 1851 . 1 1 A 175 175 GLU H H 798 7.896 8.535 -0.639 2
1 1852 . 1 1 A 175 175 GLU CA C 798 59.033 58.950 0.083 2
1 1853 . 1 1 A 175 175 GLU HA H 798 3.967 4.139 -0.172 2
1 1854 . 1 1 A 175 175 GLU CB C 798 29.296 29.420 -0.124 2
1 1860 . 1 1 A 176 176 ALA N N 799 116.937 121.760 -4.823 2
1 1861 . 1 1 A 176 176 ALA H H 799 8.030 7.960 0.070 2
1 1862 . 1 1 A 176 176 ALA CA C 799 54.179 54.374 -0.195 2
1 1863 . 1 1 A 176 176 ALA HA H 799 4.085 4.276 -0.191 2
1 1864 . 1 1 A 176 176 ALA CB C 799 19.432 19.235 0.197 2
1 1868 . 1 1 A 177 177 PHE N N 800 112.840 115.068 -2.228 2
1 1869 . 1 1 A 177 177 PHE H H 800 8.544 7.796 0.748 2
1 1870 . 1 1 A 177 177 PHE CA C 800 59.182 58.535 0.647 2
1 1871 . 1 1 A 177 177 PHE HA H 800 4.515 4.577 -0.062 2
1 1872 . 1 1 A 177 177 PHE CB C 800 39.642 38.754 0.888 2
1 1881 . 1 1 A 178 178 GLY N N 801 110.339 107.191 3.148 2
1 1882 . 1 1 A 178 178 GLY H H 801 7.974 7.832 0.142 2
1 1883 . 1 1 A 178 178 GLY CA C 801 45.607 46.158 -0.551 2
1 1884 . 1 1 A 178 178 GLY HA3 H 801 3.988 4.027 -0.039 2
1 1885 . 1 1 A 178 178 GLY HA2 H 801 4.031 3.986 0.045 2
1 1886 . 1 1 A 179 179 ASP N N 802 119.627 118.995 0.632 2
1 1887 . 1 1 A 179 179 ASP H H 802 8.185 8.070 0.115 2
1 1888 . 1 1 A 179 179 ASP CA C 802 53.949 54.739 -0.790 2
1 1889 . 1 1 A 179 179 ASP HA H 802 4.679 4.849 -0.170 2
1 1890 . 1 1 A 179 179 ASP CB C 802 41.070 42.785 -1.715 2
1 1892 . 1 1 A 180 180 THR N N 803 113.769 113.182 0.587 2
1 1893 . 1 1 A 180 180 THR H H 803 8.037 8.021 0.016 2
1 1894 . 1 1 A 180 180 THR CA C 803 61.885 63.677 -1.792 2
1 1895 . 1 1 A 180 180 THR HA H 803 4.331 4.376 -0.045 2
1 1896 . 1 1 A 180 180 THR CB C 803 70.002 69.218 0.784 2
1 1902 . 1 1 A 181 181 LYS N N 804 122.277 120.942 1.335 2
1 1903 . 1 1 A 181 181 LYS H H 804 8.198 8.273 -0.075 2
1 1904 . 1 1 A 181 181 LYS CA C 804 56.652 57.931 -1.279 2
1 1905 . 1 1 A 181 181 LYS HA H 804 4.151 4.110 0.041 2
1 1906 . 1 1 A 181 181 LYS CB C 804 32.377 31.069 1.308 2
1 1914 . 1 1 A 182 182 PHE N N 805 119.784 117.410 2.374 2
1 1915 . 1 1 A 182 182 PHE H H 805 8.206 8.160 0.046 2
1 1916 . 1 1 A 182 182 PHE CA C 805 57.256 59.170 -1.914 2
1 1917 . 1 1 A 182 182 PHE HA H 805 4.664 4.347 0.317 2
1 1918 . 1 1 A 182 182 PHE CB C 805 38.774 38.547 0.227 2
1 1927 . 1 1 A 183 183 SER N N 806 123.742 113.470 10.272 2
1 1928 . 1 1 A 183 183 SER H H 806 8.121 8.353 -0.232 2
1 1929 . 1 1 A 183 183 SER CA C 806 58.203 58.830 -0.627 2
1 1930 . 1 1 A 183 183 SER HA H 806 4.361 4.480 -0.119 2
1 1931 . 1 1 A 183 183 SER CB C 806 63.764 63.266 0.498 2
1 1934 . 1 1 A 184 184 ALA N N 807 125.704 123.017 2.687 2
1 1935 . 1 1 A 184 184 ALA H H 807 8.286 7.989 0.297 2
1 1936 . 1 1 A 184 184 ALA CA C 807 52.574 52.588 -0.014 2
1 1937 . 1 1 A 184 184 ALA HA H 807 4.360 4.266 0.094 2
1 1938 . 1 1 A 184 184 ALA CB C 807 18.947 19.399 -0.452 2
1 1942 . 1 1 A 185 185 VAL N N 808 118.271 116.472 1.799 2
1 1943 . 1 1 A 185 185 VAL H H 808 7.958 8.193 -0.235 2
1 1944 . 1 1 A 185 185 VAL CA C 808 62.216 62.182 0.034 2
1 1945 . 1 1 A 185 185 VAL HA H 808 4.151 4.223 -0.072 2
1 1946 . 1 1 A 185 185 VAL CB C 808 32.178 32.005 0.173 2
1 1952 . 1 1 A 186 186 LEU N N 809 125.280 120.576 4.704 2
1 1953 . 1 1 A 186 186 LEU H H 809 8.195 7.596 0.599 2
1 1954 . 1 1 A 186 186 LEU CA C 809 54.474 54.882 -0.408 2
1 1955 . 1 1 A 186 186 LEU HA H 809 4.430 4.408 0.022 2
1 1956 . 1 1 A 186 186 LEU CB C 809 42.303 42.219 0.084 2
1 1968 . 1 1 A 187 187 VAL N N 810 120.937 117.396 3.541 2
1 1969 . 1 1 A 187 187 VAL H H 810 7.985 7.741 0.244 2
1 1970 . 1 1 A 187 187 VAL CA C 810 62.004 62.477 -0.473 2
1 1971 . 1 1 A 187 187 VAL HA H 810 4.155 4.206 -0.051 2
1 1972 . 1 1 A 187 187 VAL CB C 810 32.602 32.029 0.573 2
1 1979 . 1 1 A 188 188 GLU N N 811 126.353 123.698 2.655 2
1 1980 . 1 1 A 188 188 GLU H H 811 8.292 7.787 0.505 2
1 1981 . 1 1 A 188 188 GLU CA C 811 54.162 54.665 -0.503 2
1 1982 . 1 1 A 188 188 GLU HA H 811 4.609 4.441 0.168 2
1 1983 . 1 1 A 188 188 GLU CB C 811 29.775 30.352 -0.577 2
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