data_nef_c25720_2n5l save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25718 BMRB 25719 PDB 2N5K stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 540 GLY start . false 2 A 541 PRO middle . false 3 A 542 HIS middle . . 4 A 543 MET middle . . 5 A 544 GLY middle . false 6 A 545 ASP middle . . 7 A 546 LEU middle . . 8 A 547 ALA middle . . 9 A 548 LYS middle . . 10 A 549 GLU middle . . 11 A 550 ARG middle . . 12 A 551 ALA middle . . 13 A 552 GLY middle . false 14 A 553 VAL middle . . 15 A 554 TYR middle . . 16 A 555 THR middle . . 17 A 556 LYS middle . . 18 A 557 LEU middle . . 19 A 558 CYS middle . . 20 A 559 GLY middle . false 21 A 560 VAL middle . . 22 A 561 PHE middle . . 23 A 562 PRO middle . false 24 A 563 PRO middle . false 25 A 564 HIS middle . . 26 A 565 LEU middle . . 27 A 566 VAL middle . . 28 A 567 GLU middle . . 29 A 568 ALA middle . . 30 A 569 VAL middle . . 31 A 570 MET middle . . 32 A 571 ARG middle . . 33 A 572 ARG middle . . 34 A 573 PHE middle . . 35 A 574 PRO middle . false 36 A 575 GLN middle . . 37 A 576 LEU middle . . 38 A 577 LEU middle . . 39 A 578 ASP middle . . 40 A 579 PRO middle . false 41 A 580 GLN middle . . 42 A 581 GLN middle . . 43 A 582 LEU middle . . 44 A 583 ALA middle . . 45 A 584 ALA middle . . 46 A 585 GLU middle . . 47 A 586 ILE middle . . 48 A 587 LEU middle . . 49 A 588 SER middle . . 50 A 589 TYR middle . . 51 A 590 LYS middle . . 52 A 591 SER middle . . 53 A 592 GLN middle . . 54 A 593 HIS middle . . 55 A 594 LEU middle . . 56 A 595 SER middle . . 57 A 596 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 540 GLY HAx H 1 4.044 0.001 A 540 GLY HAy H 1 4.044 0.001 A 540 GLY CA C 13 43.435 0.01 A 541 PRO HA H 1 4.522 0.001 A 541 PRO HBy H 1 2.330 0.001 A 541 PRO HBx H 1 1.911 0.001 A 541 PRO HDx H 1 3.618 0.001 A 541 PRO HDy H 1 3.618 0.001 A 541 PRO HGy H 1 2.059 0.001 A 541 PRO HGx H 1 1.999 0.001 A 541 PRO C C 13 176.657 0.01 A 541 PRO CA C 13 63.068 0.01 A 541 PRO CB C 13 32.427 0.01 A 541 PRO CD C 13 49.699 0.01 A 541 PRO CG C 13 27.056 0.01 A 542 HIS H H 1 8.743 0.001 A 542 HIS HA H 1 4.728 0.001 A 542 HIS HBy H 1 3.283 0.001 A 542 HIS HBx H 1 3.234 0.001 A 542 HIS HD2 H 1 7.254 0.001 A 542 HIS HE1 H 1 8.288 0.001 A 542 HIS C C 13 175.238 0.01 A 542 HIS CA C 13 56.021 0.01 A 542 HIS CB C 13 29.922 0.01 A 542 HIS CD2 C 13 120.089 0.01 A 542 HIS CE1 C 13 137.580 0.01 A 542 HIS N N 15 120.098 0.03 A 543 MET H H 1 8.546 0.001 A 543 MET HA H 1 4.507 0.001 A 543 MET HBy H 1 2.130 0.001 A 543 MET HBx H 1 2.056 0.001 A 543 MET HE% H 1 2.133 0.001 A 543 MET HGy H 1 2.635 0.001 A 543 MET HGx H 1 2.559 0.001 A 543 MET C C 13 176.770 0.01 A 543 MET CA C 13 55.942 0.01 A 543 MET CB C 13 32.832 0.01 A 543 MET CE C 13 17.030 0.01 A 543 MET CG C 13 32.030 0.01 A 543 MET N N 15 122.677 0.03 A 544 GLY H H 1 8.547 0.001 A 544 GLY HAx H 1 4.026 0.001 A 544 GLY HAy H 1 4.026 0.001 A 544 GLY C C 13 174.076 0.01 A 544 GLY CA C 13 45.535 0.01 A 544 GLY N N 15 110.158 0.03 A 545 ASP H H 1 8.329 0.001 A 545 ASP HA H 1 4.652 0.001 A 545 ASP HBy H 1 2.857 0.001 A 545 ASP HBx H 1 2.723 0.001 A 545 ASP C C 13 177.117 0.01 A 545 ASP CA C 13 54.923 0.01 A 545 ASP CB C 13 41.081 0.01 A 545 ASP N N 15 120.935 0.03 A 546 LEU H H 1 8.367 0.001 A 546 LEU HA H 1 4.289 0.001 A 546 LEU HBy H 1 1.746 0.001 A 546 LEU HBx H 1 1.682 0.001 A 546 LEU HDx% H 1 0.967 0.001 A 546 LEU HDy% H 1 0.916 0.001 A 546 LEU HG H 1 1.681 0.001 A 546 LEU C C 13 178.116 0.01 A 546 LEU CA C 13 57.050 0.01 A 546 LEU CB C 13 41.920 0.01 A 546 LEU CDy C 13 24.895 0.01 A 546 LEU CDx C 13 24.136 0.01 A 546 LEU CG C 13 27.145 0.01 A 546 LEU N N 15 123.845 0.03 A 547 ALA H H 1 8.206 0.001 A 547 ALA HA H 1 4.159 0.001 A 547 ALA HB% H 1 1.524 0.001 A 547 ALA C C 13 180.596 0.01 A 547 ALA CA C 13 54.963 0.01 A 547 ALA CB C 13 18.410 0.01 A 547 ALA N N 15 121.881 0.03 A 548 LYS H H 1 8.146 0.001 A 548 LYS HA H 1 4.166 0.001 A 548 LYS HBx H 1 1.969 0.001 A 548 LYS HBy H 1 1.969 0.001 A 548 LYS HDx H 1 1.773 0.001 A 548 LYS HDy H 1 1.773 0.001 A 548 LYS HEx H 1 3.067 0.001 A 548 LYS HEy H 1 3.067 0.001 A 548 LYS HGy H 1 1.600 0.001 A 548 LYS HGx H 1 1.482 0.001 A 548 LYS C C 13 179.449 0.01 A 548 LYS CA C 13 59.141 0.01 A 548 LYS CB C 13 32.491 0.01 A 548 LYS CD C 13 29.366 0.01 A 548 LYS CE C 13 42.183 0.01 A 548 LYS CG C 13 25.225 0.01 A 548 LYS N N 15 119.751 0.03 A 549 GLU H H 1 8.539 0.001 A 549 GLU HA H 1 4.222 0.001 A 549 GLU HBx H 1 2.189 0.001 A 549 GLU HBy H 1 2.189 0.001 A 549 GLU HGx H 1 2.403 0.001 A 549 GLU HGy H 1 2.403 0.001 A 549 GLU C C 13 179.495 0.01 A 549 GLU CA C 13 59.313 0.01 A 549 GLU CB C 13 29.474 0.01 A 549 GLU CG C 13 36.300 0.01 A 549 GLU N N 15 121.677 0.03 A 550 ARG H H 1 8.671 0.001 A 550 ARG HA H 1 3.904 0.001 A 550 ARG HBy H 1 1.961 0.001 A 550 ARG HBx H 1 1.889 0.001 A 550 ARG HDx H 1 3.203 0.001 A 550 ARG HDy H 1 3.203 0.001 A 550 ARG HE H 1 7.425 0.001 A 550 ARG HGy H 1 1.766 0.001 A 550 ARG HGx H 1 1.629 0.001 A 550 ARG C C 13 177.602 0.01 A 550 ARG CA C 13 59.656 0.01 A 550 ARG CB C 13 30.179 0.01 A 550 ARG CD C 13 43.392 0.01 A 550 ARG CG C 13 28.302 0.01 A 550 ARG CZ C 13 159.678 0.01 A 550 ARG N N 15 119.928 0.03 A 550 ARG NE N 15 84.565 0.03 A 551 ALA H H 1 7.995 0.001 A 551 ALA HA H 1 4.271 0.001 A 551 ALA HB% H 1 1.576 0.001 A 551 ALA C C 13 180.678 0.01 A 551 ALA CA C 13 55.224 0.01 A 551 ALA CB C 13 18.058 0.01 A 551 ALA N N 15 121.418 0.03 A 552 GLY H H 1 8.130 0.001 A 552 GLY HAy H 1 4.093 0.001 A 552 GLY HAx H 1 4.034 0.001 A 552 GLY C C 13 176.364 0.01 A 552 GLY CA C 13 47.264 0.01 A 552 GLY N N 15 106.609 0.03 A 553 VAL H H 1 8.013 0.001 A 553 VAL HA H 1 3.724 0.001 A 553 VAL HB H 1 2.246 0.001 A 553 VAL HGx% H 1 1.240 0.001 A 553 VAL HGy% H 1 0.988 0.001 A 553 VAL C C 13 177.093 0.01 A 553 VAL CA C 13 66.952 0.01 A 553 VAL CB C 13 32.078 0.01 A 553 VAL CGy C 13 23.899 0.01 A 553 VAL CGx C 13 21.893 0.01 A 553 VAL N N 15 123.365 0.03 A 554 TYR H H 1 8.466 0.001 A 554 TYR HA H 1 4.151 0.001 A 554 TYR HBy H 1 3.330 0.001 A 554 TYR HBx H 1 3.052 0.001 A 554 TYR HDx H 1 7.204 0.001 A 554 TYR HDy H 1 7.204 0.001 A 554 TYR HEx H 1 6.727 0.001 A 554 TYR HEy H 1 6.727 0.001 A 554 TYR C C 13 177.675 0.01 A 554 TYR CA C 13 62.103 0.01 A 554 TYR CB C 13 38.332 0.01 A 554 TYR CDx C 13 133.562 0.01 A 554 TYR CDy C 13 133.562 0.01 A 554 TYR CEx C 13 118.638 0.01 A 554 TYR CEy C 13 118.638 0.01 A 554 TYR N N 15 121.204 0.03 A 555 THR H H 1 8.349 0.001 A 555 THR HA H 1 3.710 0.001 A 555 THR HB H 1 4.371 0.001 A 555 THR HG2% H 1 1.344 0.001 A 555 THR C C 13 177.299 0.01 A 555 THR CA C 13 67.315 0.01 A 555 THR CB C 13 68.936 0.01 A 555 THR CG2 C 13 21.913 0.01 A 555 THR N N 15 116.248 0.03 A 556 LYS H H 1 7.929 0.001 A 556 LYS HA H 1 3.946 0.001 A 556 LYS HBx H 1 1.685 0.001 A 556 LYS HBy H 1 1.685 0.001 A 556 LYS HDy H 1 1.890 0.001 A 556 LYS HDx H 1 1.621 0.001 A 556 LYS HEx H 1 3.025 0.001 A 556 LYS HEy H 1 3.025 0.001 A 556 LYS HGy H 1 1.710 0.001 A 556 LYS HGx H 1 1.521 0.001 A 556 LYS C C 13 180.830 0.01 A 556 LYS CA C 13 59.729 0.01 A 556 LYS CB C 13 32.545 0.01 A 556 LYS CD C 13 29.250 0.01 A 556 LYS CE C 13 42.362 0.01 A 556 LYS CG C 13 26.029 0.01 A 556 LYS N N 15 120.916 0.03 A 557 LEU H H 1 8.593 0.001 A 557 LEU HA H 1 4.023 0.001 A 557 LEU HBy H 1 2.139 0.001 A 557 LEU HBx H 1 1.370 0.001 A 557 LEU HDx% H 1 1.033 0.001 A 557 LEU HDy% H 1 0.962 0.001 A 557 LEU HG H 1 1.795 0.001 A 557 LEU C C 13 179.910 0.01 A 557 LEU CA C 13 58.239 0.01 A 557 LEU CB C 13 43.218 0.01 A 557 LEU CDx C 13 23.146 0.01 A 557 LEU CDy C 13 28.617 0.01 A 557 LEU CG C 13 27.728 0.01 A 557 LEU N N 15 120.367 0.03 A 558 CYS H H 1 8.233 0.001 A 558 CYS HA H 1 4.895 0.001 A 558 CYS HBy H 1 2.879 0.001 A 558 CYS HBx H 1 2.750 0.001 A 558 CYS HG H 1 2.016 0.001 A 558 CYS C C 13 175.287 0.01 A 558 CYS CA C 13 62.182 0.01 A 558 CYS CB C 13 26.997 0.01 A 558 CYS N N 15 118.220 0.03 A 559 GLY H H 1 7.522 0.001 A 559 GLY HAy H 1 4.103 0.001 A 559 GLY HAx H 1 3.867 0.001 A 559 GLY C C 13 173.106 0.01 A 559 GLY CA C 13 46.037 0.01 A 559 GLY N N 15 105.334 0.03 A 560 VAL H H 1 7.218 0.001 A 560 VAL HA H 1 3.763 0.001 A 560 VAL HB H 1 1.532 0.001 A 560 VAL HGx% H 1 0.683 0.001 A 560 VAL HGy% H 1 -0.100 0.001 A 560 VAL C C 13 173.393 0.01 A 560 VAL CA C 13 63.239 0.01 A 560 VAL CB C 13 35.199 0.01 A 560 VAL CGy C 13 23.224 0.01 A 560 VAL CGx C 13 21.324 0.01 A 560 VAL N N 15 117.434 0.03 A 561 PHE H H 1 8.333 0.001 A 561 PHE HA H 1 4.939 0.001 A 561 PHE HBy H 1 2.860 0.001 A 561 PHE HBx H 1 2.418 0.001 A 561 PHE HDx H 1 7.397 0.001 A 561 PHE HDy H 1 7.397 0.001 A 561 PHE HEx H 1 7.157 0.001 A 561 PHE HEy H 1 7.157 0.001 A 561 PHE HZ H 1 7.154 0.001 A 561 PHE C C 13 172.117 0.01 A 561 PHE CA C 13 54.990 0.01 A 561 PHE CB C 13 41.239 0.01 A 561 PHE CDx C 13 133.469 0.01 A 561 PHE CDy C 13 133.469 0.01 A 561 PHE CEx C 13 130.102 0.01 A 561 PHE CEy C 13 130.102 0.01 A 561 PHE CZ C 13 129.758 0.01 A 561 PHE N N 15 116.627 0.03 A 562 PRO HBx H 1 1.834 0.001 A 562 PRO HBy H 1 2.653 0.001 A 562 PRO HDy H 1 4.069 0.001 A 562 PRO HDx H 1 3.666 0.001 A 562 PRO HGx H 1 2.277 0.001 A 562 PRO CB C 13 32.412 0.01 A 562 PRO CD C 13 50.549 0.01 A 562 PRO CG C 13 28.112 0.01 A 563 PRO HA H 1 4.426 0.001 A 563 PRO HBx H 1 2.167 0.001 A 563 PRO HBy H 1 2.694 0.001 A 563 PRO HDy H 1 4.234 0.001 A 563 PRO HDx H 1 4.010 0.001 A 563 PRO HGy H 1 2.339 0.001 A 563 PRO HGx H 1 2.037 0.001 A 563 PRO C C 13 178.231 0.01 A 563 PRO CA C 13 66.033 0.01 A 563 PRO CB C 13 32.646 0.01 A 563 PRO CD C 13 51.279 0.01 A 563 PRO CG C 13 27.847 0.01 A 564 HIS H H 1 8.599 0.001 A 564 HIS HA H 1 4.574 0.001 A 564 HIS HBy H 1 3.310 0.001 A 564 HIS HBx H 1 3.228 0.001 A 564 HIS HD2 H 1 7.189 0.001 A 564 HIS HE1 H 1 8.077 0.001 A 564 HIS C C 13 178.456 0.01 A 564 HIS CA C 13 59.283 0.01 A 564 HIS CB C 13 28.889 0.01 A 564 HIS CD2 C 13 119.384 0.01 A 564 HIS CE1 C 13 138.706 0.01 A 564 HIS N N 15 113.418 0.03 A 565 LEU H H 1 6.986 0.001 A 565 LEU HA H 1 4.069 0.001 A 565 LEU HBy H 1 1.698 0.001 A 565 LEU HBx H 1 1.408 0.001 A 565 LEU HDx% H 1 0.978 0.001 A 565 LEU HDy% H 1 0.931 0.001 A 565 LEU HG H 1 1.165 0.001 A 565 LEU C C 13 177.647 0.01 A 565 LEU CA C 13 56.798 0.01 A 565 LEU CB C 13 42.437 0.01 A 565 LEU CDy C 13 25.048 0.01 A 565 LEU CDx C 13 23.511 0.01 A 565 LEU CG C 13 26.969 0.01 A 565 LEU N N 15 121.397 0.03 A 566 VAL H H 1 7.378 0.001 A 566 VAL HA H 1 3.202 0.001 A 566 VAL HB H 1 2.173 0.001 A 566 VAL HGx% H 1 0.992 0.001 A 566 VAL HGy% H 1 0.869 0.001 A 566 VAL C C 13 178.100 0.01 A 566 VAL CA C 13 66.837 0.01 A 566 VAL CB C 13 31.902 0.01 A 566 VAL CGy C 13 24.180 0.01 A 566 VAL CGx C 13 23.440 0.01 A 566 VAL N N 15 118.805 0.03 A 567 GLU H H 1 8.787 0.001 A 567 GLU HA H 1 3.950 0.001 A 567 GLU HBy H 1 2.244 0.001 A 567 GLU HBx H 1 2.078 0.001 A 567 GLU HGy H 1 2.496 0.001 A 567 GLU HGx H 1 2.331 0.001 A 567 GLU C C 13 178.367 0.01 A 567 GLU CA C 13 59.647 0.01 A 567 GLU CB C 13 29.836 0.01 A 567 GLU CG C 13 36.702 0.01 A 567 GLU N N 15 117.532 0.03 A 568 ALA H H 1 7.327 0.001 A 568 ALA HA H 1 3.977 0.001 A 568 ALA HB% H 1 1.340 0.001 A 568 ALA C C 13 180.553 0.01 A 568 ALA CA C 13 55.183 0.01 A 568 ALA CB C 13 17.972 0.01 A 568 ALA N N 15 119.136 0.03 A 569 VAL H H 1 7.694 0.001 A 569 VAL HA H 1 3.611 0.001 A 569 VAL HB H 1 1.843 0.001 A 569 VAL HGx% H 1 0.950 0.001 A 569 VAL HGy% H 1 0.762 0.001 A 569 VAL C C 13 177.821 0.01 A 569 VAL CA C 13 66.573 0.01 A 569 VAL CB C 13 31.344 0.01 A 569 VAL CGx C 13 22.286 0.01 A 569 VAL CGy C 13 24.238 0.01 A 569 VAL N N 15 117.417 0.03 A 570 MET H H 1 8.689 0.001 A 570 MET HA H 1 4.023 0.001 A 570 MET HBy H 1 2.242 0.001 A 570 MET HBx H 1 1.989 0.001 A 570 MET HE% H 1 2.191 0.001 A 570 MET HGy H 1 2.954 0.001 A 570 MET HGx H 1 2.529 0.001 A 570 MET C C 13 178.707 0.01 A 570 MET CA C 13 60.668 0.01 A 570 MET CB C 13 32.661 0.01 A 570 MET CE C 13 16.757 0.01 A 570 MET CG C 13 34.367 0.01 A 570 MET N N 15 119.233 0.03 A 571 ARG H H 1 7.736 0.001 A 571 ARG HA H 1 4.074 0.001 A 571 ARG HBy H 1 1.909 0.001 A 571 ARG HBx H 1 1.829 0.001 A 571 ARG HDx H 1 3.206 0.001 A 571 ARG HDy H 1 3.206 0.001 A 571 ARG HE H 1 7.428 0.001 A 571 ARG HGy H 1 1.800 0.001 A 571 ARG HGx H 1 1.639 0.001 A 571 ARG C C 13 177.978 0.01 A 571 ARG CA C 13 58.627 0.01 A 571 ARG CB C 13 30.350 0.01 A 571 ARG CD C 13 43.616 0.01 A 571 ARG CG C 13 27.940 0.01 A 571 ARG CZ C 13 159.628 0.01 A 571 ARG N N 15 116.087 0.03 A 571 ARG NE N 15 84.854 0.03 A 572 ARG H H 1 7.257 0.001 A 572 ARG HA H 1 3.957 0.001 A 572 ARG HBy H 1 1.741 0.001 A 572 ARG HBx H 1 1.582 0.001 A 572 ARG HDx H 1 3.055 0.001 A 572 ARG HDy H 1 3.055 0.001 A 572 ARG HE H 1 7.257 0.001 A 572 ARG HGy H 1 1.440 0.001 A 572 ARG HGx H 1 1.190 0.001 A 572 ARG C C 13 175.737 0.01 A 572 ARG CA C 13 57.700 0.01 A 572 ARG CB C 13 30.837 0.01 A 572 ARG CD C 13 43.516 0.01 A 572 ARG CG C 13 27.635 0.01 A 572 ARG CZ C 13 159.569 0.01 A 572 ARG N N 15 118.791 0.03 A 572 ARG NE N 15 84.685 0.03 A 573 PHE H H 1 7.547 0.001 A 573 PHE HA H 1 5.109 0.001 A 573 PHE HBy H 1 3.156 0.001 A 573 PHE HBx H 1 2.857 0.001 A 573 PHE HDx H 1 7.393 0.001 A 573 PHE HDy H 1 7.393 0.001 A 573 PHE HEx H 1 7.323 0.001 A 573 PHE HEy H 1 7.323 0.001 A 573 PHE HZ H 1 7.276 0.001 A 573 PHE C C 13 174.244 0.01 A 573 PHE CA C 13 55.178 0.01 A 573 PHE CB C 13 39.703 0.01 A 573 PHE CDx C 13 132.375 0.01 A 573 PHE CDy C 13 132.375 0.01 A 573 PHE CEx C 13 130.780 0.01 A 573 PHE CEy C 13 130.780 0.01 A 573 PHE CZ C 13 129.808 0.01 A 573 PHE N N 15 116.580 0.03 A 574 PRO HA H 1 4.634 0.001 A 574 PRO HBx H 1 2.044 0.001 A 574 PRO HBy H 1 2.342 0.001 A 574 PRO HDy H 1 3.651 0.001 A 574 PRO HDx H 1 3.389 0.001 A 574 PRO HGy H 1 2.059 0.001 A 574 PRO HGx H 1 1.968 0.001 A 574 PRO C C 13 177.428 0.01 A 574 PRO CA C 13 64.843 0.01 A 574 PRO CB C 13 32.189 0.01 A 574 PRO CD C 13 50.395 0.01 A 574 PRO CG C 13 27.365 0.01 A 575 GLN H H 1 8.854 0.001 A 575 GLN HA H 1 4.483 0.001 A 575 GLN HBy H 1 2.340 0.001 A 575 GLN HBx H 1 2.070 0.001 A 575 GLN HE2x H 1 6.946 0.001 A 575 GLN HE2y H 1 7.643 0.001 A 575 GLN HGy H 1 2.485 0.001 A 575 GLN HGx H 1 2.359 0.001 A 575 GLN C C 13 175.741 0.01 A 575 GLN CA C 13 55.387 0.01 A 575 GLN CB C 13 28.737 0.01 A 575 GLN CD C 13 180.681 0.01 A 575 GLN CG C 13 34.330 0.01 A 575 GLN N N 15 115.442 0.03 A 575 GLN NE2 N 15 111.905 0.03 A 576 LEU H H 1 7.534 0.001 A 576 LEU HA H 1 4.460 0.001 A 576 LEU HBy H 1 1.852 0.001 A 576 LEU HBx H 1 1.695 0.001 A 576 LEU HDx% H 1 0.930 0.001 A 576 LEU HDy% H 1 0.746 0.001 A 576 LEU HG H 1 1.539 0.001 A 576 LEU C C 13 175.287 0.01 A 576 LEU CA C 13 55.180 0.01 A 576 LEU CB C 13 43.533 0.01 A 576 LEU CDx C 13 23.511 0.01 A 576 LEU CDy C 13 24.424 0.01 A 576 LEU CG C 13 27.363 0.01 A 576 LEU N N 15 122.503 0.03 A 577 LEU H H 1 8.642 0.001 A 577 LEU HA H 1 4.609 0.001 A 577 LEU HBy H 1 1.755 0.001 A 577 LEU HBx H 1 1.598 0.001 A 577 LEU HDx% H 1 0.955 0.001 A 577 LEU HDy% H 1 0.857 0.001 A 577 LEU HG H 1 1.605 0.001 A 577 LEU C C 13 175.420 0.01 A 577 LEU CA C 13 53.569 0.01 A 577 LEU CB C 13 43.988 0.01 A 577 LEU CDy C 13 25.596 0.01 A 577 LEU CDx C 13 23.739 0.01 A 577 LEU CG C 13 26.995 0.01 A 577 LEU N N 15 123.692 0.03 A 578 ASP H H 1 6.857 0.001 A 578 ASP HA H 1 5.008 0.001 A 578 ASP HBx H 1 2.801 0.001 A 578 ASP HBy H 1 2.801 0.001 A 578 ASP C C 13 175.312 0.01 A 578 ASP CA C 13 51.303 0.01 A 578 ASP CB C 13 42.825 0.01 A 578 ASP N N 15 119.443 0.03 A 579 PRO HA H 1 4.171 0.001 A 579 PRO HBx H 1 2.243 0.001 A 579 PRO HBy H 1 2.243 0.001 A 579 PRO HDy H 1 4.461 0.001 A 579 PRO HDx H 1 4.090 0.001 A 579 PRO HGy H 1 2.377 0.001 A 579 PRO HGx H 1 2.119 0.001 A 579 PRO C C 13 177.578 0.01 A 579 PRO CA C 13 65.395 0.01 A 579 PRO CB C 13 32.554 0.01 A 579 PRO CD C 13 51.360 0.01 A 579 PRO CG C 13 27.603 0.01 A 580 GLN H H 1 8.056 0.001 A 580 GLN HA H 1 3.692 0.001 A 580 GLN HBy H 1 2.300 0.001 A 580 GLN HBx H 1 2.216 0.001 A 580 GLN HE2x H 1 6.948 0.001 A 580 GLN HE2y H 1 7.974 0.001 A 580 GLN HGy H 1 2.616 0.001 A 580 GLN HGx H 1 2.178 0.001 A 580 GLN C C 13 178.727 0.01 A 580 GLN CA C 13 60.285 0.01 A 580 GLN CB C 13 29.273 0.01 A 580 GLN CD C 13 179.831 0.01 A 580 GLN CG C 13 36.245 0.01 A 580 GLN N N 15 115.592 0.03 A 580 GLN NE2 N 15 111.614 0.03 A 581 GLN H H 1 7.707 0.001 A 581 GLN HA H 1 4.149 0.001 A 581 GLN HBx H 1 2.103 0.001 A 581 GLN HBy H 1 2.103 0.001 A 581 GLN HE2x H 1 6.862 0.001 A 581 GLN HE2y H 1 7.730 0.001 A 581 GLN HGy H 1 2.475 0.001 A 581 GLN HGx H 1 2.402 0.001 A 581 GLN C C 13 179.356 0.01 A 581 GLN CA C 13 58.288 0.01 A 581 GLN CB C 13 29.104 0.01 A 581 GLN CD C 13 179.040 0.01 A 581 GLN CG C 13 34.074 0.01 A 581 GLN N N 15 119.480 0.03 A 581 GLN NE2 N 15 112.406 0.03 A 582 LEU H H 1 8.206 0.001 A 582 LEU HA H 1 3.730 0.001 A 582 LEU HBy H 1 1.890 0.001 A 582 LEU HBx H 1 1.112 0.001 A 582 LEU HDx% H 1 0.850 0.001 A 582 LEU HDy% H 1 0.800 0.001 A 582 LEU HG H 1 1.457 0.001 A 582 LEU C C 13 178.417 0.01 A 582 LEU CA C 13 58.358 0.01 A 582 LEU CB C 13 42.977 0.01 A 582 LEU CDx C 13 24.397 0.01 A 582 LEU CDy C 13 25.774 0.01 A 582 LEU CG C 13 28.343 0.01 A 582 LEU N N 15 119.281 0.03 A 583 ALA H H 1 8.377 0.001 A 583 ALA HA H 1 3.748 0.001 A 583 ALA HB% H 1 1.635 0.001 A 583 ALA C C 13 178.308 0.01 A 583 ALA CA C 13 55.420 0.01 A 583 ALA CB C 13 18.211 0.01 A 583 ALA N N 15 120.479 0.03 A 584 ALA H H 1 7.544 0.001 A 584 ALA HA H 1 4.059 0.001 A 584 ALA HB% H 1 1.607 0.001 A 584 ALA C C 13 180.951 0.01 A 584 ALA CA C 13 55.396 0.01 A 584 ALA CB C 13 17.915 0.01 A 584 ALA N N 15 118.825 0.03 A 585 GLU H H 1 7.847 0.001 A 585 GLU HA H 1 4.365 0.001 A 585 GLU HBy H 1 1.989 0.001 A 585 GLU HBx H 1 1.759 0.001 A 585 GLU HGy H 1 2.199 0.001 A 585 GLU HGx H 1 1.341 0.001 A 585 GLU C C 13 180.269 0.01 A 585 GLU CA C 13 57.808 0.01 A 585 GLU CB C 13 28.722 0.01 A 585 GLU CG C 13 33.921 0.01 A 585 GLU N N 15 117.697 0.03 A 586 ILE H H 1 8.658 0.001 A 586 ILE HA H 1 3.577 0.001 A 586 ILE HB H 1 1.263 0.001 A 586 ILE HD1% H 1 0.361 0.001 A 586 ILE HG1y H 1 1.720 0.001 A 586 ILE HG1x H 1 0.463 0.001 A 586 ILE HG2% H 1 0.149 0.001 A 586 ILE C C 13 177.552 0.01 A 586 ILE CA C 13 65.986 0.01 A 586 ILE CB C 13 37.334 0.01 A 586 ILE CD1 C 13 16.275 0.01 A 586 ILE CG1 C 13 29.600 0.01 A 586 ILE CG2 C 13 17.916 0.01 A 586 ILE N N 15 123.573 0.03 A 587 LEU H H 1 7.933 0.001 A 587 LEU HA H 1 4.063 0.001 A 587 LEU HBy H 1 1.939 0.001 A 587 LEU HBx H 1 1.657 0.001 A 587 LEU HDx% H 1 1.177 0.001 A 587 LEU HDy% H 1 1.062 0.001 A 587 LEU HG H 1 1.927 0.001 A 587 LEU C C 13 179.811 0.01 A 587 LEU CA C 13 58.145 0.01 A 587 LEU CB C 13 41.254 0.01 A 587 LEU CDx C 13 23.758 0.01 A 587 LEU CDy C 13 26.081 0.01 A 587 LEU CG C 13 27.593 0.01 A 587 LEU N N 15 119.631 0.03 A 588 SER H H 1 7.987 0.001 A 588 SER HA H 1 4.369 0.001 A 588 SER HBx H 1 4.056 0.001 A 588 SER HBy H 1 4.056 0.001 A 588 SER C C 13 176.597 0.01 A 588 SER CA C 13 60.854 0.01 A 588 SER CB C 13 63.082 0.01 A 588 SER N N 15 114.863 0.03 A 589 TYR H H 1 8.423 0.001 A 589 TYR HA H 1 4.279 0.001 A 589 TYR HBx H 1 3.170 0.001 A 589 TYR HBy H 1 3.170 0.001 A 589 TYR HDx H 1 7.020 0.001 A 589 TYR HDy H 1 7.020 0.001 A 589 TYR HEx H 1 6.647 0.001 A 589 TYR HEy H 1 6.647 0.001 A 589 TYR C C 13 178.431 0.01 A 589 TYR CA C 13 61.453 0.01 A 589 TYR CB C 13 39.074 0.01 A 589 TYR CDx C 13 133.056 0.01 A 589 TYR CDy C 13 133.056 0.01 A 589 TYR CEx C 13 117.849 0.01 A 589 TYR CEy C 13 117.849 0.01 A 589 TYR N N 15 123.628 0.03 A 590 LYS H H 1 8.651 0.001 A 590 LYS HA H 1 4.115 0.001 A 590 LYS HBx H 1 2.010 0.001 A 590 LYS HBy H 1 2.010 0.001 A 590 LYS HDy H 1 1.835 0.001 A 590 LYS HDx H 1 1.750 0.001 A 590 LYS HEx H 1 3.117 0.001 A 590 LYS HEy H 1 3.117 0.001 A 590 LYS HGy H 1 1.744 0.001 A 590 LYS HGx H 1 1.568 0.001 A 590 LYS C C 13 178.057 0.01 A 590 LYS CA C 13 58.933 0.01 A 590 LYS CB C 13 32.760 0.01 A 590 LYS CD C 13 29.549 0.01 A 590 LYS CE C 13 41.820 0.01 A 590 LYS CG C 13 24.798 0.01 A 590 LYS N N 15 120.289 0.03 A 591 SER H H 1 7.835 0.001 A 591 SER HA H 1 4.347 0.001 A 591 SER HBx H 1 4.067 0.001 A 591 SER HBy H 1 4.067 0.001 A 591 SER C C 13 175.194 0.01 A 591 SER CA C 13 60.409 0.01 A 591 SER CB C 13 63.530 0.01 A 591 SER N N 15 113.484 0.03 A 592 GLN H H 1 7.756 0.001 A 592 GLN HA H 1 4.290 0.001 A 592 GLN HBy H 1 2.012 0.001 A 592 GLN HBx H 1 1.876 0.001 A 592 GLN HE2x H 1 6.880 0.001 A 592 GLN HE2y H 1 7.347 0.001 A 592 GLN HGy H 1 2.442 0.001 A 592 GLN HGx H 1 2.327 0.001 A 592 GLN C C 13 175.732 0.01 A 592 GLN CA C 13 56.265 0.01 A 592 GLN CB C 13 29.763 0.01 A 592 GLN CD C 13 180.355 0.01 A 592 GLN CG C 13 34.096 0.01 A 592 GLN N N 15 119.076 0.03 A 592 GLN NE2 N 15 112.079 0.03 A 593 HIS H H 1 7.999 0.001 A 593 HIS HA H 1 4.669 0.001 A 593 HIS HBy H 1 3.228 0.001 A 593 HIS HBx H 1 2.841 0.001 A 593 HIS HD2 H 1 6.987 0.001 A 593 HIS HE1 H 1 8.342 0.001 A 593 HIS C C 13 174.357 0.01 A 593 HIS CA C 13 55.734 0.01 A 593 HIS CB C 13 28.771 0.01 A 593 HIS CD2 C 13 120.274 0.01 A 593 HIS CE1 C 13 136.542 0.01 A 593 HIS N N 15 117.993 0.03 A 594 LEU H H 1 8.115 0.001 A 594 LEU HA H 1 4.415 0.001 A 594 LEU HBx H 1 1.671 0.001 A 594 LEU HBy H 1 1.671 0.001 A 594 LEU HDx% H 1 0.965 0.001 A 594 LEU HDy% H 1 0.922 0.001 A 594 LEU HG H 1 1.653 0.001 A 594 LEU C C 13 177.458 0.01 A 594 LEU CA C 13 55.795 0.01 A 594 LEU CB C 13 42.387 0.01 A 594 LEU CDy C 13 25.217 0.01 A 594 LEU CDx C 13 23.830 0.01 A 594 LEU CG C 13 27.023 0.01 A 594 LEU N N 15 122.399 0.03 A 595 SER H H 1 8.331 0.001 A 595 SER HA H 1 4.565 0.001 A 595 SER HBx H 1 3.951 0.001 A 595 SER HBy H 1 3.951 0.001 A 595 SER C C 13 173.581 0.01 A 595 SER CA C 13 58.302 0.01 A 595 SER CB C 13 64.076 0.01 A 595 SER N N 15 115.755 0.03 A 596 GLU H H 1 7.987 0.001 A 596 GLU HA H 1 4.229 0.001 A 596 GLU HBy H 1 2.164 0.001 A 596 GLU HBx H 1 1.982 0.001 A 596 GLU HGx H 1 2.284 0.001 A 596 GLU HGy H 1 2.284 0.001 A 596 GLU C C 13 181.107 0.01 A 596 GLU CA C 13 58.109 0.01 A 596 GLU CB C 13 31.266 0.01 A 596 GLU CG C 13 36.803 0.01 A 596 GLU N N 15 127.512 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 575 GLN H A 576 LEU H 1.0 . 2.97 2 2 A 575 GLN H A 573 PHE HA 1.0 . 4.25 3 3 A 575 GLN H A 574 PRO HDy 1.0 . 3.97 4 4 A 575 GLN H A 574 PRO HDx 1.0 . 4.34 5 5 A 575 GLN H A 573 PHE HBy 1.0 . 5.10 6 6 A 575 GLN H A 573 PHE HBx 1.0 . 5.12 7 7 A 575 GLN H A 575 GLN HGx 1.0 . 3.81 8 8 A 575 GLN H A 575 GLN HGy 1.0 . 3.38 9 9 A 575 GLN H A 575 GLN HBx 1.0 . 3.22 10 10 A 575 GLN H A 576 LEU HBx 1.0 . 5.25 11 11 A 554 TYR HE% A 567 GLU H 1.0 . 4.38 12 12 A 567 GLU H A 563 PRO HA 1.0 . 4.44 13 13 A 567 GLU H A 565 LEU HA 1.0 . 5.18 14 14 A 567 GLU H A 567 GLU HGy 1.0 . 3.91 15 15 A 567 GLU H A 567 GLU HBy 1.0 . 3.27 16 16 A 567 GLU H A 567 GLU HBx 1.0 . 3.59 17 17 A 567 GLU H A 568 ALA HB% 1.0 . 4.87 18 18 A 567 GLU H A 566 VAL HGx% 1.0 . 4.02 19 19 A 567 GLU H A 566 VAL HGy% 1.0 . 4.07 20 20 A 550 ARG H A 549 GLU HGx 1.0 . 4.42 21 20 A 549 GLU HGy A 550 ARG H 1.0 . 4.42 22 21 A 550 ARG H A 549 GLU HBx 1.0 . 3.42 23 21 A 550 ARG H A 549 GLU HBy 1.0 . 3.42 24 22 A 550 ARG H A 551 ALA HB% 1.0 . 5.50 25 23 A 550 ARG H A 550 ARG HBy 1.0 . 3.23 26 24 A 586 ILE H A 586 ILE HG2% 1.0 . 4.33 27 25 A 586 ILE H A 586 ILE HG1x 1.0 . 4.49 28 26 A 586 ILE H A 583 ALA HA 1.0 . 3.96 29 27 A 586 ILE H A 584 ALA HA 1.0 . 4.82 30 28 A 586 ILE H A 586 ILE HB 1.0 . 3.41 31 29 A 576 LEU HBx A 577 LEU H 1.0 . 4.23 32 30 A 570 MET H A 573 PHE H 1.0 . 5.49 33 31 A 570 MET H A 566 VAL HA 1.0 . 4.67 34 32 A 570 MET H A 570 MET HGy 1.0 . 3.99 35 33 A 570 MET H A 570 MET HGx 1.0 . 3.99 36 34 A 570 MET H A 570 MET HBy 1.0 . 3.80 37 35 A 570 MET H A 570 MET HBx 1.0 . 3.80 38 36 A 570 MET H A 569 VAL HB 1.0 . 3.72 39 37 A 566 VAL HGx% A 570 MET H 1.0 . 4.36 40 38 A 570 MET H A 569 VAL HGy% 1.0 . 4.20 41 39 A 586 ILE HA A 590 LYS H 1.0 . 4.78 42 40 A 590 LYS H A 589 TYR HBx 1.0 . 3.34 43 40 A 590 LYS H A 589 TYR HBy 1.0 . 3.34 44 41 A 590 LYS H A 590 LYS HBx 1.0 . 3.16 45 41 A 590 LYS H A 590 LYS HBy 1.0 . 3.16 46 42 A 590 LYS H A 590 LYS HDx 1.0 . 5.41 47 43 A 564 HIS H A 564 HIS HD2 1.0 . 5.50 48 44 A 564 HIS H A 563 PRO HDy 1.0 . 5.50 49 45 A 564 HIS H A 562 PRO HBx 1.0 . 5.17 50 46 A 564 HIS H A 563 PRO HGy 1.0 . 5.20 51 47 A 564 HIS H A 563 PRO HGx 1.0 . 5.20 52 48 A 564 HIS H A 562 PRO HBy 1.0 . 5.30 53 49 A 576 LEU H A 577 LEU H 1.0 . 4.53 54 50 A 577 LEU H A 578 ASP H 1.0 . 3.99 55 51 A 577 LEU H A 578 ASP HBx 1.0 . 4.61 56 51 A 577 LEU H A 578 ASP HBy 1.0 . 4.61 57 52 A 577 LEU H A 576 LEU HDy% 1.0 . 3.75 58 53 A 577 LEU H A 577 LEU HDy% 1.0 . 4.21 59 54 A 557 LEU H A 560 VAL HGy% 1.0 . 4.74 60 55 A 557 LEU H A 557 LEU HDy% 1.0 . 4.08 61 56 A 557 LEU H A 557 LEU HBx 1.0 . 3.84 62 57 A 557 LEU H A 557 LEU HG 1.0 . 4.14 63 58 A 557 LEU H A 557 LEU HBy 1.0 . 3.48 64 59 A 557 LEU H A 553 VAL HA 1.0 . 4.71 65 60 A 557 LEU H A 555 THR HA 1.0 . 5.08 66 61 A 557 LEU H A 554 TYR HA 1.0 . 4.22 67 62 A 543 MET H A 543 MET HGx 1.0 . 5.50 68 63 A 543 MET H A 542 HIS HBy 1.0 . 5.50 69 64 A 543 MET H A 542 HIS HBx 1.0 . 5.50 70 65 A 544 GLY H A 543 MET HBx 1.0 . 5.08 71 66 A 549 GLU H A 548 LYS HBx 1.0 . 3.37 72 66 A 548 LYS HBy A 549 GLU H 1.0 . 3.37 73 67 A 549 GLU H A 549 GLU HBx 1.0 . 3.11 74 67 A 549 GLU HBy A 549 GLU H 1.0 . 3.11 75 68 A 550 ARG H A 549 GLU H 1.0 . 3.37 76 69 A 553 VAL HGx% A 554 TYR H 1.0 . 4.12 77 70 A 551 ALA HB% A 554 TYR H 1.0 . 5.50 78 71 A 554 TYR H A 577 LEU HBx 1.0 . 5.50 79 72 A 554 TYR H A 553 VAL HB 1.0 . 3.59 80 73 A 554 TYR H A 554 TYR HBy 1.0 . 3.46 81 74 A 554 TYR H A 554 TYR HBx 1.0 . 3.45 82 75 A 554 TYR H A 550 ARG HA 1.0 . 4.64 83 76 A 589 TYR H A 589 TYR HBx 1.0 . 2.98 84 76 A 589 TYR HBy A 589 TYR H 1.0 . 2.98 85 77 A 586 ILE HA A 589 TYR H 1.0 . 4.15 86 78 A 589 TYR H A 588 SER HBx 1.0 . 3.35 87 78 A 589 TYR H A 588 SER HBy 1.0 . 3.35 88 79 A 590 LYS H A 589 TYR H 1.0 . 3.41 89 80 A 560 VAL HGx% A 583 ALA H 1.0 . 5.20 90 81 A 583 ALA H A 582 LEU HDx% 1.0 . 4.83 91 82 A 583 ALA H A 557 LEU HDx% 1.0 . 5.50 92 83 A 583 ALA H A 583 ALA HB% 1.0 . 3.18 93 84 A 583 ALA H A 582 LEU HBy 1.0 . 3.82 94 85 A 583 ALA H A 581 GLN HA 1.0 . 4.44 95 86 A 583 ALA H A 561 PHE HE% 1.0 . 4.91 96 87 A 583 ALA H A 582 LEU H 1.0 . 3.44 97 88 A 555 THR H A 556 LYS H 1.0 . 3.58 98 89 A 555 THR H A 555 THR HB 1.0 . 3.31 99 90 A 554 TYR HBx A 555 THR H 1.0 . 3.63 100 91 A 554 TYR HBy A 555 THR H 1.0 . 3.99 101 92 A 545 ASP H A 545 ASP HBx 1.0 . 3.66 102 93 A 545 ASP H A 545 ASP HBy 1.0 . 3.66 103 94 A 545 ASP H A 544 GLY HAx 1.0 . 3.18 104 94 A 545 ASP H A 544 GLY HAy 1.0 . 3.18 105 95 A 546 LEU H A 547 ALA HB% 1.0 . 4.54 106 96 A 546 LEU H A 545 ASP HBx 1.0 . 4.39 107 97 A 546 LEU H A 545 ASP HBy 1.0 . 4.39 108 98 A 546 LEU H A 545 ASP HA 1.0 . 3.51 109 99 A 566 VAL HGy% A 561 PHE H 1.0 . 4.48 110 100 A 561 PHE H A 560 VAL HB 1.0 . 3.87 111 101 A 561 PHE H A 561 PHE HBy 1.0 . 3.91 112 102 A 561 PHE H A 559 GLY H 1.0 . 4.35 113 103 A 595 SER H A 595 SER HBx 1.0 . 3.55 114 103 A 595 SER H A 595 SER HBy 1.0 . 3.55 115 104 A 595 SER H A 594 LEU HBx 1.0 . 3.84 116 104 A 595 SER H A 594 LEU HBy 1.0 . 3.84 117 105 A 595 SER H A 594 LEU HG 1.0 . 4.29 118 106 A 547 ALA H A 546 LEU HDx% 1.0 . 5.50 119 107 A 547 ALA H A 546 LEU HDy% 1.0 . 5.50 120 108 A 547 ALA HB% A 547 ALA H 1.0 . 2.94 121 109 A 547 ALA H A 546 LEU HBx 1.0 . 3.92 122 110 A 547 ALA H A 548 LYS HBx 1.0 . 4.63 123 110 A 548 LYS HBy A 547 ALA H 1.0 . 4.63 124 111 A 547 ALA H A 546 LEU HA 1.0 . 3.53 125 112 A 545 ASP HA A 547 ALA H 1.0 . 5.50 126 113 A 546 LEU H A 547 ALA H 1.0 . 3.41 127 114 A 566 VAL HGy% A 558 CYS H 1.0 . 4.79 128 115 A 557 LEU HBx A 558 CYS H 1.0 . 4.28 129 116 A 558 CYS H A 558 CYS HG 1.0 . 3.48 130 117 A 557 LEU HBy A 558 CYS H 1.0 . 4.00 131 118 A 558 CYS H A 558 CYS HBx 1.0 . 3.71 132 119 A 558 CYS H A 558 CYS HBy 1.0 . 3.56 133 120 A 555 THR HA A 558 CYS H 1.0 . 4.13 134 121 A 558 CYS H A 560 VAL H 1.0 . 4.66 135 122 A 557 LEU H A 558 CYS H 1.0 . 3.49 136 123 A 582 LEU HDx% A 582 LEU H 1.0 . 3.79 137 124 A 582 LEU H A 582 LEU HBx 1.0 . 3.78 138 125 A 582 LEU H A 582 LEU HG 1.0 . 3.56 139 126 A 582 LEU HBy A 582 LEU H 1.0 . 3.49 140 127 A 582 LEU H A 581 GLN HBx 1.0 . 3.66 141 127 A 582 LEU H A 581 GLN HBy 1.0 . 3.66 142 128 A 582 LEU H A 578 ASP HBx 1.0 . 4.74 143 128 A 578 ASP HBy A 582 LEU H 1.0 . 4.74 144 129 A 582 LEU H A 584 ALA H 1.0 . 4.73 145 130 A 582 LEU H A 580 GLN H 1.0 . 4.34 146 131 A 594 LEU H A 594 LEU HDx% 1.0 . 5.19 147 132 A 594 LEU H A 594 LEU HDy% 1.0 . 5.19 148 133 A 594 LEU H A 594 LEU HBx 1.0 . 2.91 149 133 A 594 LEU HBy A 594 LEU H 1.0 . 2.91 150 134 A 594 LEU H A 593 HIS HBx 1.0 . 4.78 151 135 A 594 LEU H A 593 HIS HBy 1.0 . 4.78 152 136 A 594 LEU H A 592 GLN HA 1.0 . 4.90 153 137 A 594 LEU H A 593 HIS HA 1.0 . 3.25 154 138 A 548 LYS H A 548 LYS HBx 1.0 . 2.99 155 138 A 548 LYS HBy A 548 LYS H 1.0 . 2.99 156 139 A 548 LYS H A 549 GLU HGx 1.0 . 5.50 157 139 A 549 GLU HGy A 548 LYS H 1.0 . 5.50 158 140 A 548 LYS H A 545 ASP HBy 1.0 . 5.50 159 141 A 545 ASP HA A 548 LYS H 1.0 . 4.81 160 142 A 549 GLU H A 548 LYS H 1.0 . 3.29 161 143 A 550 ARG H A 548 LYS H 1.0 . 4.69 162 144 A 552 GLY H A 553 VAL HGy% 1.0 . 5.19 163 145 A 552 GLY H A 550 ARG HBx 1.0 . 5.50 164 146 A 553 VAL HB A 552 GLY H 1.0 . 4.80 165 147 A 553 VAL HA A 552 GLY H 1.0 . 5.24 166 148 A 552 GLY H A 549 GLU HA 1.0 . 3.95 167 149 A 552 GLY H A 553 VAL H 1.0 . 3.76 168 150 A 554 TYR H A 552 GLY H 1.0 . 4.68 169 151 A 550 ARG H A 552 GLY H 1.0 . 5.10 170 152 A 580 GLN H A 579 PRO HDx 1.0 . 4.60 171 153 A 580 GLN H A 579 PRO HDy 1.0 . 4.60 172 154 A 580 GLN H A 578 ASP HA 1.0 . 4.66 173 155 A 554 TYR H A 553 VAL H 1.0 . 3.44 174 156 A 550 ARG HA A 553 VAL H 1.0 . 3.90 175 157 A 554 TYR HBx A 553 VAL H 1.0 . 5.34 176 158 A 554 TYR HBy A 553 VAL H 1.0 . 5.48 177 159 A 553 VAL HB A 553 VAL H 1.0 . 3.22 178 160 A 551 ALA HB% A 553 VAL H 1.0 . 4.59 179 161 A 553 VAL HGx% A 553 VAL H 1.0 . 3.96 180 162 A 595 SER HA A 596 GLU H 1.0 . 3.27 181 163 A 596 GLU H A 595 SER HBx 1.0 . 4.27 182 163 A 595 SER HBy A 596 GLU H 1.0 . 4.27 183 164 A 596 GLU H A 596 GLU HGx 1.0 . 4.04 184 164 A 596 GLU H A 596 GLU HGy 1.0 . 4.04 185 165 A 551 ALA HB% A 551 ALA H 1.0 . 3.00 186 166 A 550 ARG HBx A 551 ALA H 1.0 . 3.71 187 167 A 551 ALA H A 549 GLU HBx 1.0 . 4.52 188 167 A 549 GLU HBy A 551 ALA H 1.0 . 4.52 189 168 A 551 ALA H A 548 LYS HA 1.0 . 3.83 190 169 A 549 GLU H A 551 ALA H 1.0 . 4.47 191 170 A 550 ARG H A 551 ALA H 1.0 . 3.35 192 171 A 552 GLY H A 551 ALA H 1.0 . 3.44 193 172 A 588 SER H A 587 LEU HDy% 1.0 . 4.85 194 173 A 588 SER H A 587 LEU HDx% 1.0 . 4.85 195 174 A 588 SER H A 587 LEU HBx 1.0 . 3.78 196 175 A 588 SER H A 587 LEU HBy 1.0 . 3.51 197 176 A 588 SER H A 589 TYR HBx 1.0 . 4.42 198 176 A 589 TYR HBy A 588 SER H 1.0 . 4.42 199 177 A 586 ILE HA A 588 SER H 1.0 . 5.01 200 178 A 588 SER H A 588 SER HBx 1.0 . 2.81 201 178 A 588 SER HBy A 588 SER H 1.0 . 2.81 202 179 A 589 TYR H A 588 SER H 1.0 . 3.27 203 180 A 586 ILE H A 588 SER H 1.0 . 4.72 204 181 A 590 LYS H A 588 SER H 1.0 . 5.09 205 182 A 593 HIS H A 592 GLN HBx 1.0 . 4.58 206 183 A 593 HIS H A 592 GLN HBy 1.0 . 4.58 207 184 A 593 HIS H A 590 LYS HA 1.0 . 4.71 208 185 A 593 HIS H A 593 HIS HD2 1.0 . 5.26 209 186 A 593 HIS H A 592 GLN H 1.0 . 3.65 210 187 A 560 VAL HGy% A 556 LYS H 1.0 . 5.50 211 188 A 553 VAL HGx% A 556 LYS H 1.0 . 5.23 212 189 A 556 LYS H A 555 THR HG2% 1.0 . 4.09 213 190 A 556 LYS H A 556 LYS HBx 1.0 . 3.36 214 190 A 556 LYS H A 556 LYS HBy 1.0 . 3.36 215 191 A 556 LYS H A 556 LYS HGx 1.0 . 4.04 216 192 A 556 LYS H A 556 LYS HDy 1.0 . 3.43 217 193 A 557 LEU HBy A 556 LYS H 1.0 . 4.77 218 194 A 554 TYR HBx A 556 LYS H 1.0 . 5.50 219 195 A 553 VAL HA A 556 LYS H 1.0 . 4.04 220 196 A 556 LYS H A 552 GLY HAy 1.0 . 4.75 221 197 A 556 LYS H A 555 THR HB 1.0 . 3.55 222 198 A 556 LYS H A 559 GLY H 1.0 . 5.50 223 199 A 557 LEU H A 556 LYS H 1.0 . 3.51 224 200 A 580 GLN HA A 580 GLN HE2x 1.0 . 5.50 225 201 A 586 ILE HG2% A 587 LEU H 1.0 . 4.40 226 202 A 587 LEU H A 586 ILE HD1% 1.0 . 5.04 227 203 A 587 LEU H A 587 LEU HDy% 1.0 . 4.02 228 204 A 586 ILE HB A 587 LEU H 1.0 . 3.76 229 205 A 587 LEU HBx A 587 LEU H 1.0 . 3.63 230 206 A 587 LEU HBy A 587 LEU H 1.0 . 3.19 231 207 A 583 ALA HA A 587 LEU H 1.0 . 4.72 232 208 A 587 LEU H A 585 GLU HA 1.0 . 4.85 233 209 A 589 TYR H A 587 LEU H 1.0 . 5.13 234 210 A 569 VAL HGx% A 585 GLU H 1.0 . 4.58 235 211 A 585 GLU H A 585 GLU HGx 1.0 . 4.20 236 212 A 585 GLU H A 584 ALA HB% 1.0 . 3.36 237 213 A 585 GLU H A 585 GLU HBy 1.0 . 3.40 238 214 A 585 GLU H A 585 GLU HBx 1.0 . 3.70 239 215 A 585 GLU H A 585 GLU HGy 1.0 . 4.20 240 216 A 585 GLU H A 582 LEU HA 1.0 . 3.81 241 217 A 583 ALA H A 585 GLU H 1.0 . 4.76 242 218 A 586 ILE H A 585 GLU H 1.0 . 3.50 243 219 A 591 SER H A 594 LEU HDx% 1.0 . 5.50 244 220 A 591 SER H A 594 LEU HDy% 1.0 . 5.50 245 221 A 591 SER H A 590 LYS HGx 1.0 . 4.82 246 222 A 591 SER H A 590 LYS HGy 1.0 . 4.82 247 223 A 591 SER H A 590 LYS HBx 1.0 . 3.47 248 223 A 590 LYS HBy A 591 SER H 1.0 . 3.47 249 224 A 591 SER H A 591 SER HBx 1.0 . 2.91 250 224 A 591 SER H A 591 SER HBy 1.0 . 2.91 251 225 A 590 LYS H A 591 SER H 1.0 . 3.40 252 226 A 592 GLN H A 592 GLN HBx 1.0 . 3.54 253 227 A 592 GLN H A 592 GLN HGx 1.0 . 3.96 254 228 A 592 GLN H A 592 GLN HGy 1.0 . 3.96 255 229 A 592 GLN H A 591 SER HBx 1.0 . 3.63 256 229 A 592 GLN H A 591 SER HBy 1.0 . 3.63 257 230 A 590 LYS H A 592 GLN H 1.0 . 4.46 258 231 A 569 VAL HGx% A 569 VAL H 1.0 . 3.80 259 232 A 568 ALA HB% A 569 VAL H 1.0 . 3.47 260 233 A 569 VAL HB A 569 VAL H 1.0 . 3.20 261 234 A 567 GLU HBy A 569 VAL H 1.0 . 5.50 262 235 A 566 VAL HA A 569 VAL H 1.0 . 4.22 263 236 A 570 MET H A 569 VAL H 1.0 . 3.33 264 237 A 569 VAL HGx% A 571 ARG H 1.0 . 5.02 265 238 A 571 ARG H A 571 ARG HBx 1.0 . 3.86 266 239 A 571 ARG H A 570 MET HGx 1.0 . 5.24 267 240 A 571 ARG H A 570 MET HGy 1.0 . 5.24 268 241 A 571 ARG H A 571 ARG HDx 1.0 . 4.59 269 241 A 571 ARG H A 571 ARG HDy 1.0 . 4.59 270 242 A 570 MET H A 571 ARG H 1.0 . 3.37 271 243 A 576 LEU HDy% A 581 GLN HE2x 1.0 . 5.33 272 244 A 581 GLN HE2x A 580 GLN HBy 1.0 . 5.50 273 245 A 581 GLN HE2x A 578 ASP HBx 1.0 . 5.03 274 245 A 578 ASP HBy A 581 GLN HE2x 1.0 . 5.03 275 246 A 581 GLN HA A 581 GLN HE2x 1.0 . 5.50 276 247 A 581 GLN H A 581 GLN HBx 1.0 . 3.23 277 247 A 581 GLN HBy A 581 GLN H 1.0 . 3.23 278 248 A 581 GLN H A 580 GLN HBx 1.0 . 3.71 279 249 A 581 GLN H A 579 PRO HGy 1.0 . 4.85 280 250 A 581 GLN H A 581 GLN HGy 1.0 . 5.16 281 251 A 581 GLN H A 578 ASP HBx 1.0 . 3.92 282 251 A 578 ASP HBy A 581 GLN H 1.0 . 3.92 283 252 A 578 ASP HA A 581 GLN H 1.0 . 5.48 284 253 A 580 GLN H A 581 GLN H 1.0 . 3.23 285 254 A 582 LEU H A 581 GLN H 1.0 . 3.36 286 255 A 583 ALA H A 581 GLN H 1.0 . 4.49 287 256 A 575 GLN HBx A 575 GLN HE2x 1.0 . 4.72 288 257 A 575 GLN HE2x A 575 GLN HBy 1.0 . 4.80 289 258 A 575 GLN HE2x A 575 GLN HA 1.0 . 5.47 290 259 A 584 ALA H A 585 GLU H 1.0 . 3.36 291 260 A 583 ALA H A 584 ALA H 1.0 . 3.42 292 261 A 573 PHE H A 572 ARG HBx 1.0 . 4.12 293 262 A 573 PHE H A 572 ARG HBy 1.0 . 4.12 294 263 A 573 PHE HBx A 573 PHE H 1.0 . 3.75 295 264 A 573 PHE HBy A 573 PHE H 1.0 . 3.86 296 265 A 574 PRO HDx A 573 PHE H 1.0 . 4.00 297 266 A 574 PRO HDy A 573 PHE H 1.0 . 4.24 298 267 A 573 PHE H A 570 MET HA 1.0 . 3.67 299 268 A 573 PHE H A 572 ARG H 1.0 . 3.08 300 269 A 573 PHE H A 571 ARG H 1.0 . 4.30 301 270 A 560 VAL HGy% A 559 GLY H 1.0 . 4.48 302 271 A 560 VAL HB A 559 GLY H 1.0 . 4.89 303 272 A 559 GLY H A 558 CYS HG 1.0 . 5.11 304 273 A 559 GLY H A 558 CYS HBx 1.0 . 4.78 305 274 A 559 GLY H A 558 CYS HBy 1.0 . 4.56 306 275 A 559 GLY H A 560 VAL H 1.0 . 3.40 307 276 A 559 GLY H A 558 CYS H 1.0 . 3.59 308 277 A 557 LEU H A 559 GLY H 1.0 . 4.76 309 278 A 576 LEU H A 576 LEU HDy% 1.0 . 4.39 310 279 A 576 LEU H A 576 LEU HG 1.0 . 4.19 311 280 A 576 LEU H A 576 LEU HBx 1.0 . 3.58 312 281 A 576 LEU H A 576 LEU HBy 1.0 . 3.35 313 282 A 576 LEU H A 575 GLN HBx 1.0 . 4.14 314 283 A 576 LEU H A 575 GLN HGy 1.0 . 4.24 315 284 A 576 LEU H A 573 PHE HBy 1.0 . 4.26 316 285 A 576 LEU H A 574 PRO HDy 1.0 . 5.33 317 286 A 576 LEU H A 574 PRO HA 1.0 . 4.36 318 287 A 550 ARG HE A 577 LEU HDx% 1.0 . 5.36 319 288 A 550 ARG HBx A 550 ARG HE 1.0 . 4.17 320 289 A 589 TYR HA A 592 GLN HE2x 1.0 . 5.50 321 290 A 592 GLN HA A 592 GLN HE2x 1.0 . 5.50 322 291 A 586 ILE HD1% A 566 VAL H 1.0 . 4.88 323 292 A 586 ILE HG2% A 566 VAL H 1.0 . 5.45 324 293 A 566 VAL HGy% A 566 VAL H 1.0 . 3.25 325 294 A 566 VAL H A 565 LEU HG 1.0 . 4.89 326 295 A 566 VAL H A 565 LEU HBx 1.0 . 4.03 327 296 A 566 VAL H A 565 LEU HBy 1.0 . 4.03 328 297 A 566 VAL H A 566 VAL HB 1.0 . 3.44 329 298 A 566 VAL H A 561 PHE HBx 1.0 . 5.08 330 299 A 563 PRO HA A 566 VAL H 1.0 . 4.07 331 300 A 567 GLU H A 566 VAL H 1.0 . 3.45 332 301 A 568 ALA HB% A 568 ALA H 1.0 . 3.04 333 302 A 569 VAL HB A 568 ALA H 1.0 . 4.82 334 303 A 567 GLU HBx A 568 ALA H 1.0 . 3.98 335 304 A 567 GLU HBy A 568 ALA H 1.0 . 3.71 336 305 A 569 VAL H A 568 ALA H 1.0 . 3.35 337 306 A 567 GLU H A 568 ALA H 1.0 . 3.42 338 307 A 572 ARG H A 572 ARG HGx 1.0 . 4.71 339 308 A 572 ARG H A 572 ARG HGy 1.0 . 4.71 340 309 A 572 ARG H A 572 ARG HBx 1.0 . 3.43 341 310 A 572 ARG H A 572 ARG HBy 1.0 . 3.43 342 311 A 572 ARG H A 571 ARG HBy 1.0 . 4.35 343 312 A 572 ARG H A 572 ARG HDx 1.0 . 4.88 344 312 A 572 ARG H A 572 ARG HDy 1.0 . 4.88 345 313 A 572 ARG H A 569 VAL HA 1.0 . 3.80 346 314 A 570 MET H A 572 ARG H 1.0 . 4.67 347 315 A 571 ARG H A 572 ARG H 1.0 . 3.29 348 316 A 560 VAL HGy% A 560 VAL H 1.0 . 3.70 349 317 A 560 VAL HB A 560 VAL H 1.0 . 3.54 350 318 A 561 PHE HBy A 560 VAL H 1.0 . 4.90 351 319 A 558 CYS HBy A 560 VAL H 1.0 . 5.37 352 320 A 560 VAL H A 561 PHE HD% 1.0 . 4.81 353 321 A 561 PHE H A 560 VAL H 1.0 . 3.08 354 322 A 565 LEU HG A 565 LEU H 1.0 . 3.79 355 323 A 565 LEU H A 565 LEU HBx 1.0 . 3.67 356 324 A 565 LEU H A 565 LEU HBy 1.0 . 3.67 357 325 A 562 PRO HBy A 565 LEU H 1.0 . 4.86 358 326 A 566 VAL HB A 565 LEU H 1.0 . 4.89 359 327 A 562 PRO HBx A 565 LEU H 1.0 . 4.50 360 328 A 565 LEU H A 564 HIS HBx 1.0 . 4.76 361 329 A 563 PRO HA A 565 LEU H 1.0 . 4.74 362 330 A 566 VAL H A 565 LEU H 1.0 . 3.14 363 331 A 564 HIS H A 565 LEU H 1.0 . 4.15 364 332 A 567 GLU H A 565 LEU H 1.0 . 4.41 365 333 A 578 ASP H A 582 LEU HDx% 1.0 . 4.03 366 334 A 578 ASP H A 576 LEU HDy% 1.0 . 4.08 367 335 A 578 ASP H A 577 LEU HBx 1.0 . 3.98 368 336 A 578 ASP H A 577 LEU HBy 1.0 . 4.63 369 337 A 578 ASP H A 581 GLN HBx 1.0 . 4.32 370 337 A 578 ASP H A 581 GLN HBy 1.0 . 4.32 371 338 A 578 ASP H A 578 ASP HBx 1.0 . 2.99 372 338 A 578 ASP H A 578 ASP HBy 1.0 . 2.99 373 339 A 578 ASP H A 579 PRO HDx 1.0 . 5.38 374 340 A 578 ASP H A 581 GLN H 1.0 . 5.50 375 341 A 578 ASP H A 581 GLN HE2x 1.0 . 5.50 376 342 A 578 ASP H A 582 LEU H 1.0 . 5.26 377 343 A 543 MET H A 543 MET HGy 1.0 . 5.50 378 344 A 549 GLU H A 547 ALA H 1.0 . 4.78 379 345 A 557 LEU H A 554 TYR HD% 1.0 . 5.50 380 346 A 557 LEU H A 560 VAL H 1.0 . 5.47 381 347 A 567 GLU H A 567 GLU HGx 1.0 . 3.91 382 348 A 572 ARG HE A 573 PHE HD% 1.0 . 5.20 383 349 A 580 GLN H A 580 GLN HE2x 1.0 . 4.01 384 350 A 580 GLN H A 580 GLN HE2y 1.0 . 4.01 385 351 A 580 GLN HA A 580 GLN HE2y 1.0 . 5.50 386 352 A 580 GLN HE2x A 580 GLN HBy 1.0 . 4.73 387 353 A 580 GLN HBy A 580 GLN HE2y 1.0 . 4.73 388 354 A 586 ILE H A 584 ALA H 1.0 . 4.68 389 355 A 586 ILE H A 586 ILE HD1% 1.0 . 3.98 390 356 A 544 GLY H A 545 ASP H 1.0 . 4.78 391 357 A 554 TYR HE% A 555 THR H 1.0 . 5.50 392 358 A 556 LYS H A 554 TYR HD% 1.0 . 5.50 393 359 A 554 TYR HA A 558 CYS H 1.0 . 4.62 394 360 A 560 VAL H A 558 CYS HA 1.0 . 4.33 395 361 A 565 LEU HA A 568 ALA H 1.0 . 3.79 396 362 A 549 GLU H A 546 LEU HA 1.0 . 3.51 397 363 A 555 THR H A 552 GLY HAy 1.0 . 4.20 398 364 A 559 GLY H A 556 LYS HA 1.0 . 3.75 399 365 A 583 ALA H A 580 GLN HA 1.0 . 3.66 400 366 A 544 GLY H A 543 MET HBy 1.0 . 5.08 401 367 A 547 ALA H A 546 LEU HBy 1.0 . 3.92 402 368 A 546 LEU H A 546 LEU HBy 1.0 . 3.66 403 369 A 547 ALA H A 548 LYS H 1.0 . 2.79 404 370 A 546 LEU HA A 548 LYS H 1.0 . 4.67 405 371 A 550 ARG HBy A 551 ALA H 1.0 . 3.95 406 372 A 550 ARG H A 547 ALA HA 1.0 . 3.98 407 373 A 550 ARG H A 550 ARG HBx 1.0 . 3.31 408 374 A 550 ARG H A 577 LEU HBy 1.0 . 4.29 409 375 A 567 GLU H A 554 TYR HD% 1.0 . 5.50 410 376 A 554 TYR H A 555 THR H 1.0 . 3.70 411 377 A 555 THR H A 558 CYS HG 1.0 . 5.24 412 378 A 557 LEU H A 557 LEU HDx% 1.0 . 4.08 413 379 A 557 LEU H A 556 LYS HBx 1.0 . 3.82 414 379 A 557 LEU H A 556 LYS HBy 1.0 . 3.82 415 380 A 564 HIS H A 563 PRO HDx 1.0 . 5.50 416 381 A 565 LEU H A 564 HIS HBy 1.0 . 4.76 417 382 A 565 LEU H A 565 LEU HDy% 1.0 . 4.08 418 383 A 561 PHE HBy A 566 VAL H 1.0 . 4.85 419 384 A 566 VAL HGx% A 566 VAL H 1.0 . 3.94 420 385 A 567 GLU H A 566 VAL HB 1.0 . 3.25 421 386 A 586 ILE H A 569 VAL HGy% 1.0 . 4.07 422 387 A 571 ARG H A 570 MET HA 1.0 . 3.49 423 388 A 571 ARG H A 568 ALA HA 1.0 . 3.88 424 389 A 569 VAL HGy% A 571 ARG H 1.0 . 5.42 425 390 A 572 ARG H A 571 ARG HBx 1.0 . 4.35 426 391 A 573 PHE HBy A 572 ARG H 1.0 . 4.94 427 392 A 575 GLN H A 574 PRO HGy 1.0 . 3.53 428 393 A 575 GLN H A 576 LEU HBy 1.0 . 4.28 429 394 A 576 LEU H A 574 PRO HDx 1.0 . 5.48 430 395 A 576 LEU H A 575 GLN HGx 1.0 . 4.91 431 396 A 577 LEU H A 577 LEU HBx 1.0 . 4.11 432 397 A 577 LEU H A 577 LEU HG 1.0 . 4.51 433 398 A 577 LEU H A 577 LEU HBy 1.0 . 3.49 434 399 A 580 GLN H A 580 GLN HBx 1.0 . 3.67 435 400 A 580 GLN H A 580 GLN HBy 1.0 . 3.47 436 401 A 581 GLN H A 581 GLN HGx 1.0 . 3.85 437 402 A 580 GLN HBy A 581 GLN H 1.0 . 3.59 438 403 A 582 LEU H A 582 LEU HDy% 1.0 . 4.31 439 404 A 586 ILE H A 587 LEU H 1.0 . 3.62 440 405 A 586 ILE H A 585 GLU HBx 1.0 . 4.15 441 406 A 588 SER H A 587 LEU H 1.0 . 2.81 442 407 A 590 LYS H A 590 LYS HGx 1.0 . 4.86 443 408 A 592 GLN H A 591 SER H 1.0 . 3.25 444 409 A 594 LEU H A 591 SER HA 1.0 . 4.00 445 410 A 589 TYR HA A 592 GLN HE2y 1.0 . 5.50 446 411 A 592 GLN HA A 592 GLN HE2y 1.0 . 5.50 447 412 A 592 GLN H A 592 GLN HBy 1.0 . 3.54 448 413 A 594 LEU H A 593 HIS H 1.0 . 4.20 449 414 A 545 ASP H A 546 LEU H 1.0 . 2.70 450 415 A 546 LEU H A 548 LYS H 1.0 . 4.49 451 416 A 549 GLU H A 548 LYS HGy 1.0 . 5.50 452 417 A 551 ALA HB% A 549 GLU H 1.0 . 5.45 453 418 A 555 THR H A 554 TYR HD% 1.0 . 3.90 454 419 A 555 THR H A 556 LYS HDy 1.0 . 5.26 455 420 A 555 THR H A 556 LYS HDx 1.0 . 5.26 456 421 A 556 LYS H A 556 LYS HEx 1.0 . 4.81 457 421 A 556 LYS H A 556 LYS HEy 1.0 . 4.81 458 422 A 557 LEU H A 555 THR HB 1.0 . 5.33 459 423 A 557 LEU H A 558 CYS HG 1.0 . 4.91 460 424 A 557 LEU H A 556 LYS HDx 1.0 . 5.14 461 425 A 557 LEU H A 556 LYS HGx 1.0 . 5.04 462 426 A 558 CYS H A 559 GLY HAx 1.0 . 5.14 463 427 A 559 GLY H A 557 LEU HA 1.0 . 3.83 464 428 A 561 PHE H A 558 CYS HA 1.0 . 4.04 465 429 A 567 GLU H A 569 VAL H 1.0 . 4.85 466 430 A 570 MET H A 568 ALA H 1.0 . 4.65 467 431 A 550 ARG HBy A 550 ARG HE 1.0 . 4.48 468 432 A 573 PHE H A 571 ARG HA 1.0 . 4.62 469 433 A 575 GLN H A 575 GLN HE2x 1.0 . 5.40 470 434 A 577 LEU H A 578 ASP HA 1.0 . 5.36 471 435 A 581 GLN HA A 585 GLU H 1.0 . 5.17 472 436 A 586 ILE H A 589 TYR HBx 1.0 . 5.35 473 436 A 586 ILE H A 589 TYR HBy 1.0 . 5.35 474 437 A 589 TYR H A 591 SER H 1.0 . 5.38 475 438 A 588 SER H A 591 SER H 1.0 . 5.50 476 439 A 593 HIS H A 591 SER H 1.0 . 5.50 477 440 A 545 ASP HA A 544 GLY HAx 1.0 . 4.17 478 440 A 544 GLY HAy A 545 ASP HA 1.0 . 4.17 479 441 A 545 ASP HA A 548 LYS HBx 1.0 . 4.09 480 441 A 548 LYS HBy A 545 ASP HA 1.0 . 4.09 481 442 A 546 LEU H A 546 LEU HBx 1.0 . 3.66 482 443 A 546 LEU H A 546 LEU HG 1.0 . 4.07 483 444 A 546 LEU HA A 546 LEU HG 1.0 . 4.17 484 445 A 546 LEU HA A 546 LEU HDx% 1.0 . 3.79 485 446 A 546 LEU HA A 546 LEU HDy% 1.0 . 3.79 486 447 A 546 LEU HA A 549 GLU HBx 1.0 . 3.44 487 447 A 549 GLU HBy A 546 LEU HA 1.0 . 3.44 488 448 A 546 LEU HBx A 546 LEU HDx% 1.0 . 3.26 489 449 A 546 LEU HBy A 546 LEU HDx% 1.0 . 3.26 490 450 A 546 LEU HBx A 546 LEU HDy% 1.0 . 3.26 491 451 A 546 LEU HDy% A 546 LEU HBy 1.0 . 3.26 492 452 A 551 ALA H A 547 ALA HA 1.0 . 4.48 493 453 A 547 ALA HA A 550 ARG HDx 1.0 . 5.45 494 453 A 547 ALA HA A 550 ARG HDy 1.0 . 5.45 495 454 A 550 ARG HBy A 547 ALA HA 1.0 . 4.37 496 455 A 548 LYS H A 548 LYS HGy 1.0 . 4.77 497 456 A 548 LYS H A 548 LYS HGx 1.0 . 4.77 498 457 A 548 LYS HA A 548 LYS HGx 1.0 . 3.88 499 458 A 548 LYS HA A 548 LYS HGy 1.0 . 3.88 500 459 A 548 LYS HA A 548 LYS HDx 1.0 . 4.02 501 459 A 548 LYS HA A 548 LYS HDy 1.0 . 4.02 502 460 A 548 LYS HBx A 548 LYS HDx 1.0 . 3.24 503 460 A 548 LYS HBy A 548 LYS HDx 1.0 . 3.24 504 460 A 548 LYS HDy A 548 LYS HBx 1.0 . 3.24 505 460 A 548 LYS HBy A 548 LYS HDy 1.0 . 3.24 506 461 A 548 LYS HBx A 548 LYS HEx 1.0 . 4.15 507 461 A 548 LYS HBy A 548 LYS HEx 1.0 . 4.15 508 461 A 548 LYS HEy A 548 LYS HBx 1.0 . 4.15 509 461 A 548 LYS HBy A 548 LYS HEy 1.0 . 4.15 510 462 A 548 LYS HEy A 548 LYS HGy 1.0 . 3.81 511 462 A 548 LYS HGy A 548 LYS HEx 1.0 . 3.81 512 463 A 548 LYS HEx A 548 LYS HGx 1.0 . 3.81 513 463 A 548 LYS HEy A 548 LYS HGx 1.0 . 3.81 514 464 A 549 GLU H A 549 GLU HGx 1.0 . 3.58 515 464 A 549 GLU HGy A 549 GLU H 1.0 . 3.58 516 465 A 549 GLU HA A 549 GLU HGx 1.0 . 3.34 517 465 A 549 GLU HGy A 549 GLU HA 1.0 . 3.34 518 466 A 549 GLU HBy A 549 GLU HGx 1.0 . 2.63 519 466 A 549 GLU HBx A 549 GLU HGx 1.0 . 2.63 520 466 A 549 GLU HGy A 549 GLU HBx 1.0 . 2.63 521 466 A 549 GLU HGy A 549 GLU HBy 1.0 . 2.63 522 467 A 577 LEU HBy A 549 GLU HGx 1.0 . 4.68 523 467 A 549 GLU HGy A 577 LEU HBy 1.0 . 4.68 524 468 A 571 ARG H A 571 ARG HGx 1.0 . 4.82 525 469 A 571 ARG H A 571 ARG HGy 1.0 . 4.82 526 470 A 550 ARG HA A 550 ARG HDx 1.0 . 4.43 527 470 A 550 ARG HA A 550 ARG HDy 1.0 . 4.43 528 471 A 553 VAL HB A 550 ARG HA 1.0 . 3.49 529 472 A 550 ARG HA A 550 ARG HGy 1.0 . 3.74 530 473 A 550 ARG HA A 577 LEU HBy 1.0 . 4.18 531 474 A 550 ARG HA A 550 ARG HGx 1.0 . 3.74 532 475 A 553 VAL HGx% A 550 ARG HA 1.0 . 4.13 533 476 A 577 LEU HDy% A 550 ARG HA 1.0 . 4.51 534 477 A 550 ARG HBy A 550 ARG HDx 1.0 . 3.73 535 477 A 550 ARG HBy A 550 ARG HDy 1.0 . 3.73 536 478 A 570 MET HE% A 550 ARG HDx 1.0 . 4.74 537 478 A 550 ARG HDy A 570 MET HE% 1.0 . 4.74 538 479 A 550 ARG HBx A 550 ARG HDx 1.0 . 3.40 539 479 A 550 ARG HBx A 550 ARG HDy 1.0 . 3.40 540 480 A 577 LEU HG A 550 ARG HDx 1.0 . 3.88 541 480 A 577 LEU HG A 550 ARG HDy 1.0 . 3.88 542 481 A 554 TYR H A 551 ALA HA 1.0 . 4.53 543 482 A 551 ALA HB% A 552 GLY H 1.0 . 3.59 544 483 A 554 TYR HBx A 551 ALA HA 1.0 . 3.89 545 484 A 554 TYR HBy A 551 ALA HA 1.0 . 4.87 546 485 A 555 THR HB A 552 GLY HAy 1.0 . 4.56 547 486 A 551 ALA HB% A 552 GLY HAy 1.0 . 5.13 548 487 A 551 ALA HB% A 552 GLY HAx 1.0 . 5.50 549 488 A 555 THR HG2% A 552 GLY HAy 1.0 . 5.50 550 489 A 555 THR HG2% A 552 GLY HAx 1.0 . 5.50 551 490 A 553 VAL HGy% A 553 VAL H 1.0 . 3.23 552 491 A 554 TYR H A 553 VAL HGy% 1.0 . 4.43 553 492 A 553 VAL HA A 553 VAL HGy% 1.0 . 3.25 554 493 A 550 ARG HA A 553 VAL HGy% 1.0 . 3.94 555 494 A 553 VAL HGy% A 552 GLY HAx 1.0 . 4.51 556 495 A 553 VAL HGy% A 579 PRO HDx 1.0 . 4.68 557 496 A 553 VAL HGy% A 579 PRO HDy 1.0 . 4.68 558 497 A 553 VAL HGy% A 577 LEU HA 1.0 . 4.85 559 498 A 553 VAL HGx% A 579 PRO HDy 1.0 . 4.63 560 499 A 553 VAL HGx% A 577 LEU HA 1.0 . 4.12 561 500 A 554 TYR HA A 553 VAL HGx% 1.0 . 4.19 562 501 A 553 VAL HGx% A 579 PRO HA 1.0 . 4.35 563 502 A 553 VAL HA A 553 VAL HGx% 1.0 . 3.50 564 503 A 554 TYR HA A 553 VAL HB 1.0 . 4.28 565 504 A 553 VAL HA A 556 LYS HDx 1.0 . 3.87 566 505 A 557 LEU HBy A 554 TYR HA 1.0 . 3.99 567 506 A 553 VAL HGx% A 554 TYR HBx 1.0 . 5.50 568 507 A 553 VAL HGx% A 554 TYR HBy 1.0 . 5.50 569 508 A 566 VAL HGx% A 554 TYR HBy 1.0 . 5.50 570 509 A 554 TYR HBy A 570 MET HE% 1.0 . 5.07 571 510 A 557 LEU HBy A 554 TYR HBx 1.0 . 5.50 572 511 A 554 TYR HBx A 570 MET HE% 1.0 . 5.50 573 512 A 555 THR H A 555 THR HG2% 1.0 . 4.06 574 513 A 555 THR HG2% A 554 TYR HD% 1.0 . 5.16 575 514 A 555 THR HA A 555 THR HG2% 1.0 . 3.33 576 515 A 555 THR HG2% A 556 LYS HA 1.0 . 4.32 577 516 A 556 LYS H A 556 LYS HGy 1.0 . 4.65 578 517 A 556 LYS H A 556 LYS HDx 1.0 . 5.30 579 518 A 553 VAL HA A 556 LYS HDy 1.0 . 4.94 580 519 A 556 LYS HBx A 556 LYS HEx 1.0 . 5.50 581 519 A 556 LYS HBy A 556 LYS HEx 1.0 . 5.50 582 519 A 556 LYS HEy A 556 LYS HBx 1.0 . 5.50 583 519 A 556 LYS HBy A 556 LYS HEy 1.0 . 5.50 584 520 A 556 LYS HGy A 556 LYS HEx 1.0 . 3.43 585 520 A 556 LYS HEy A 556 LYS HGy 1.0 . 3.43 586 521 A 556 LYS HGx A 556 LYS HEx 1.0 . 3.53 587 521 A 556 LYS HGx A 556 LYS HEy 1.0 . 3.53 588 522 A 556 LYS HDx A 556 LYS HBx 1.0 . 3.09 589 522 A 556 LYS HBy A 556 LYS HDx 1.0 . 3.09 590 523 A 556 LYS HDy A 556 LYS HBx 1.0 . 3.38 591 523 A 556 LYS HBy A 556 LYS HDy 1.0 . 3.38 592 524 A 556 LYS HGx A 556 LYS HA 1.0 . 3.60 593 525 A 556 LYS HA A 556 LYS HDx 1.0 . 4.28 594 526 A 556 LYS HDy A 556 LYS HA 1.0 . 3.40 595 527 A 566 VAL HGx% A 567 GLU HA 1.0 . 3.95 596 528 A 553 VAL HGx% A 556 LYS HBx 1.0 . 5.50 597 528 A 553 VAL HGx% A 556 LYS HBy 1.0 . 5.50 598 529 A 560 VAL H A 557 LEU HA 1.0 . 4.21 599 530 A 583 ALA H A 557 LEU HDy% 1.0 . 5.50 600 531 A 557 LEU HA A 557 LEU HDx% 1.0 . 3.94 601 532 A 586 ILE HD1% A 557 LEU HDy% 1.0 . 5.03 602 533 A 586 ILE HD1% A 557 LEU HDx% 1.0 . 5.03 603 534 A 557 LEU HBx A 557 LEU HDy% 1.0 . 4.17 604 535 A 557 LEU HBx A 557 LEU HDx% 1.0 . 4.17 605 536 A 556 LYS HBx A 557 LEU HDx% 1.0 . 4.98 606 536 A 556 LYS HBy A 557 LEU HDx% 1.0 . 4.98 607 537 A 557 LEU HDy% A 556 LYS HBx 1.0 . 4.98 608 537 A 556 LYS HBy A 557 LEU HDy% 1.0 . 4.98 609 538 A 557 LEU HBy A 557 LEU HDy% 1.0 . 3.94 610 539 A 557 LEU HBy A 557 LEU HDx% 1.0 . 3.94 611 540 A 566 VAL HGx% A 557 LEU HBx 1.0 . 4.53 612 541 A 557 LEU HA A 557 LEU HDy% 1.0 . 3.94 613 542 A 557 LEU HG A 557 LEU HA 1.0 . 3.75 614 543 A 560 VAL HGy% A 559 GLY HAx 1.0 . 5.24 615 544 A 560 VAL HB A 559 GLY HAx 1.0 . 5.50 616 545 A 559 GLY HAx A 556 LYS HBx 1.0 . 5.50 617 545 A 556 LYS HBy A 559 GLY HAx 1.0 . 5.50 618 546 A 560 VAL HGy% A 561 PHE H 1.0 . 4.41 619 547 A 560 VAL HGx% A 561 PHE H 1.0 . 4.58 620 548 A 560 VAL HGx% A 559 GLY H 1.0 . 5.50 621 549 A 560 VAL HGx% A 560 VAL H 1.0 . 4.04 622 550 A 560 VAL HGy% A 560 VAL HA 1.0 . 3.52 623 551 A 560 VAL HGy% A 557 LEU HA 1.0 . 3.69 624 552 A 560 VAL HGx% A 557 LEU HA 1.0 . 4.93 625 553 A 560 VAL HGx% A 560 VAL HA 1.0 . 3.60 626 554 A 560 VAL HGx% A 579 PRO HBx 1.0 . 4.23 627 554 A 560 VAL HGx% A 579 PRO HBy 1.0 . 4.23 628 555 A 561 PHE HA A 562 PRO HDy 1.0 . 3.52 629 556 A 561 PHE HBy A 565 LEU HDx% 1.0 . 5.18 630 557 A 563 PRO HA A 566 VAL HGx% 1.0 . 4.61 631 558 A 567 GLU H A 564 HIS HA 1.0 . 4.60 632 559 A 567 GLU HBx A 564 HIS HA 1.0 . 4.67 633 560 A 567 GLU HBy A 564 HIS HA 1.0 . 3.95 634 561 A 565 LEU H A 565 LEU HDx% 1.0 . 4.01 635 562 A 562 PRO HDy A 565 LEU HDx% 1.0 . 3.55 636 563 A 576 LEU HBx A 576 LEU HDy% 1.0 . 3.17 637 564 A 565 LEU HA A 565 LEU HDy% 1.0 . 3.31 638 565 A 565 LEU HA A 565 LEU HG 1.0 . 4.08 639 566 A 565 LEU HDx% A 565 LEU HBx 1.0 . 3.90 640 567 A 563 PRO HA A 566 VAL HB 1.0 . 3.91 641 568 A 566 VAL HGy% A 566 VAL HA 1.0 . 3.39 642 569 A 563 PRO HA A 566 VAL HGy% 1.0 . 3.85 643 570 A 566 VAL HGx% A 566 VAL HA 1.0 . 3.49 644 571 A 566 VAL HGy% A 561 PHE HBy 1.0 . 3.50 645 572 A 566 VAL HGy% A 561 PHE HBx 1.0 . 3.78 646 573 A 566 VAL HGx% A 586 ILE HD1% 1.0 . 4.63 647 574 A 568 ALA H A 567 GLU HGx 1.0 . 5.13 648 575 A 568 ALA H A 567 GLU HGy 1.0 . 5.13 649 576 A 567 GLU HA A 567 GLU HGy 1.0 . 4.01 650 577 A 554 TYR HE% A 567 GLU HBy 1.0 . 5.50 651 578 A 568 ALA HA A 571 ARG HDx 1.0 . 5.46 652 578 A 571 ARG HDy A 568 ALA HA 1.0 . 5.46 653 579 A 569 VAL HA A 568 ALA HA 1.0 . 4.94 654 580 A 568 ALA HA A 571 ARG HBx 1.0 . 3.88 655 581 A 569 VAL HGx% A 569 VAL HA 1.0 . 3.44 656 582 A 569 VAL HGy% A 589 TYR HBx 1.0 . 3.62 657 582 A 569 VAL HGy% A 589 TYR HBy 1.0 . 3.62 658 583 A 569 VAL HGy% A 569 VAL HA 1.0 . 3.00 659 584 A 570 MET H A 569 VAL HGx% 1.0 . 4.36 660 585 A 586 ILE H A 569 VAL HGx% 1.0 . 4.61 661 586 A 569 VAL HGy% A 569 VAL H 1.0 . 3.30 662 587 A 569 VAL HGx% A 573 PHE HD% 1.0 . 3.72 663 588 A 569 VAL HA A 572 ARG HBx 1.0 . 4.00 664 589 A 569 VAL HB A 586 ILE HG1x 1.0 . 4.38 665 590 A 586 ILE HD1% A 569 VAL HGx% 1.0 . 4.11 666 591 A 550 ARG H A 570 MET HE% 1.0 . 5.50 667 592 A 570 MET H A 570 MET HE% 1.0 . 5.50 668 593 A 570 MET HA A 570 MET HE% 1.0 . 4.07 669 594 A 570 MET HE% A 570 MET HGy 1.0 . 3.53 670 595 A 570 MET HA A 570 MET HGy 1.0 . 3.79 671 596 A 570 MET HA A 570 MET HGx 1.0 . 3.79 672 597 A 570 MET HA A 577 LEU HDx% 1.0 . 4.06 673 598 A 577 LEU HDx% A 570 MET HGy 1.0 . 4.95 674 599 A 577 LEU HDx% A 570 MET HGx 1.0 . 4.95 675 600 A 582 LEU HDx% A 570 MET HE% 1.0 . 3.18 676 601 A 566 VAL HGx% A 570 MET HE% 1.0 . 2.89 677 602 A 570 MET HE% A 570 MET HGx 1.0 . 3.53 678 603 A 571 ARG HA A 571 ARG HDx 1.0 . 4.33 679 603 A 571 ARG HDy A 571 ARG HA 1.0 . 4.33 680 604 A 571 ARG HDy A 571 ARG HBx 1.0 . 4.15 681 604 A 571 ARG HBx A 571 ARG HDx 1.0 . 4.15 682 605 A 571 ARG HA A 571 ARG HGx 1.0 . 3.53 683 606 A 571 ARG HA A 571 ARG HGy 1.0 . 3.53 684 607 A 571 ARG HDy A 571 ARG HBy 1.0 . 4.15 685 607 A 571 ARG HBy A 571 ARG HDx 1.0 . 4.15 686 608 A 573 PHE HD% A 572 ARG HBy 1.0 . 4.94 687 609 A 572 ARG HA A 572 ARG HDx 1.0 . 4.38 688 609 A 572 ARG HDy A 572 ARG HA 1.0 . 4.38 689 610 A 574 PRO HDx A 572 ARG HA 1.0 . 4.84 690 611 A 574 PRO HDy A 572 ARG HA 1.0 . 4.81 691 612 A 572 ARG HA A 572 ARG HGx 1.0 . 3.82 692 613 A 572 ARG HA A 572 ARG HGy 1.0 . 3.82 693 614 A 576 LEU H A 573 PHE HA 1.0 . 4.46 694 615 A 573 PHE HA A 573 PHE HD% 1.0 . 4.21 695 616 A 573 PHE HA A 572 ARG H 1.0 . 5.17 696 617 A 576 LEU H A 573 PHE HBx 1.0 . 4.41 697 618 A 573 PHE HA A 574 PRO HDy 1.0 . 3.37 698 619 A 573 PHE HA A 574 PRO HDx 1.0 . 3.60 699 620 A 573 PHE HBx A 576 LEU HDy% 1.0 . 4.90 700 621 A 573 PHE H A 574 PRO HA 1.0 . 4.97 701 622 A 574 PRO HDx A 571 ARG HA 1.0 . 5.27 702 623 A 574 PRO HDy A 575 GLN HGy 1.0 . 4.83 703 624 A 575 GLN HGx A 576 LEU HA 1.0 . 4.50 704 625 A 575 GLN HGy A 575 GLN HA 1.0 . 3.82 705 626 A 575 GLN HGx A 575 GLN HA 1.0 . 3.90 706 627 A 575 GLN HGy A 576 LEU HDx% 1.0 . 4.71 707 628 A 577 LEU H A 576 LEU HA 1.0 . 2.96 708 629 A 577 LEU H A 576 LEU HBy 1.0 . 5.10 709 630 A 577 LEU H A 576 LEU HG 1.0 . 4.90 710 631 A 576 LEU H A 576 LEU HDx% 1.0 . 4.52 711 632 A 576 LEU HDx% A 581 GLN HE2y 1.0 . 4.32 712 633 A 576 LEU HG A 581 GLN HE2y 1.0 . 5.05 713 634 A 576 LEU HDy% A 576 LEU HA 1.0 . 3.32 714 635 A 576 LEU HA A 576 LEU HDx% 1.0 . 3.92 715 636 A 576 LEU HG A 576 LEU HA 1.0 . 4.12 716 637 A 576 LEU HDy% A 576 LEU HBy 1.0 . 4.05 717 638 A 576 LEU HBx A 576 LEU HDx% 1.0 . 3.24 718 639 A 576 LEU HBy A 576 LEU HDx% 1.0 . 3.09 719 640 A 576 LEU HDx% A 581 GLN HBx 1.0 . 3.93 720 640 A 581 GLN HBy A 576 LEU HDx% 1.0 . 3.93 721 641 A 581 GLN HGy A 576 LEU HDx% 1.0 . 4.06 722 642 A 573 PHE HBx A 576 LEU HDx% 1.0 . 4.54 723 643 A 576 LEU HDx% A 578 ASP HBx 1.0 . 4.98 724 643 A 578 ASP HBy A 576 LEU HDx% 1.0 . 4.98 725 644 A 576 LEU HDy% A 578 ASP HBx 1.0 . 3.99 726 644 A 578 ASP HBy A 576 LEU HDy% 1.0 . 3.99 727 645 A 573 PHE HBx A 576 LEU HG 1.0 . 5.19 728 646 A 573 PHE HBx A 576 LEU HBy 1.0 . 4.99 729 647 A 573 PHE HBx A 576 LEU HBx 1.0 . 4.96 730 648 A 550 ARG H A 577 LEU HG 1.0 . 4.98 731 649 A 577 LEU H A 577 LEU HDx% 1.0 . 4.11 732 650 A 577 LEU HDx% A 577 LEU HA 1.0 . 3.09 733 651 A 550 ARG HA A 577 LEU HDx% 1.0 . 4.22 734 652 A 577 LEU HDy% A 577 LEU HA 1.0 . 4.17 735 653 A 553 VAL HGx% A 577 LEU HBx 1.0 . 4.23 736 654 A 577 LEU HBy A 577 LEU HG 1.0 . 2.89 737 655 A 577 LEU HDy% A 549 GLU HBx 1.0 . 4.47 738 655 A 549 GLU HBy A 577 LEU HDy% 1.0 . 4.47 739 656 A 577 LEU HDy% A 570 MET HE% 1.0 . 4.81 740 657 A 577 LEU HDx% A 577 LEU HBy 1.0 . 3.26 741 658 A 577 LEU HBx A 577 LEU HDx% 1.0 . 3.30 742 659 A 578 ASP HA A 579 PRO HDx 1.0 . 3.19 743 660 A 578 ASP HA A 579 PRO HDy 1.0 . 3.19 744 661 A 578 ASP HA A 579 PRO HGx 1.0 . 4.97 745 662 A 578 ASP HA A 581 GLN HBx 1.0 . 5.28 746 662 A 581 GLN HBy A 578 ASP HA 1.0 . 5.28 747 663 A 578 ASP HA A 579 PRO HGy 1.0 . 4.80 748 664 A 553 VAL HGx% A 578 ASP HA 1.0 . 5.11 749 665 A 582 LEU H A 579 PRO HA 1.0 . 4.53 750 666 A 583 ALA H A 579 PRO HA 1.0 . 5.28 751 667 A 580 GLN H A 579 PRO HGy 1.0 . 4.45 752 668 A 553 VAL HA A 579 PRO HA 1.0 . 5.12 753 669 A 553 VAL HA A 579 PRO HBx 1.0 . 3.94 754 669 A 553 VAL HA A 579 PRO HBy 1.0 . 3.94 755 670 A 553 VAL HA A 579 PRO HGy 1.0 . 5.50 756 671 A 553 VAL HA A 579 PRO HGx 1.0 . 4.70 757 672 A 579 PRO HA A 557 LEU HDx% 1.0 . 3.66 758 673 A 583 ALA HB% A 579 PRO HA 1.0 . 5.50 759 674 A 582 LEU HBy A 579 PRO HA 1.0 . 3.77 760 675 A 553 VAL HGx% A 579 PRO HBx 1.0 . 3.91 761 675 A 553 VAL HGx% A 579 PRO HBy 1.0 . 3.91 762 676 A 553 VAL HGx% A 579 PRO HGx 1.0 . 4.16 763 677 A 553 VAL HGy% A 579 PRO HGy 1.0 . 5.12 764 678 A 578 ASP HBy A 579 PRO HDy 1.0 . 4.58 765 678 A 579 PRO HDy A 578 ASP HBx 1.0 . 4.58 766 679 A 578 ASP HBx A 579 PRO HDx 1.0 . 4.58 767 679 A 578 ASP HBy A 579 PRO HDx 1.0 . 4.58 768 680 A 583 ALA HB% A 580 GLN HA 1.0 . 4.14 769 681 A 560 VAL HGx% A 580 GLN HGy 1.0 . 5.50 770 682 A 560 VAL HGx% A 580 GLN HGx 1.0 . 5.50 771 683 A 581 GLN HA A 584 ALA H 1.0 . 3.85 772 684 A 581 GLN HE2x A 581 GLN HBx 1.0 . 4.34 773 684 A 581 GLN HBy A 581 GLN HE2x 1.0 . 4.34 774 685 A 578 ASP HBy A 581 GLN HBx 1.0 . 4.00 775 685 A 578 ASP HBx A 581 GLN HBx 1.0 . 4.00 776 685 A 581 GLN HBy A 578 ASP HBx 1.0 . 4.00 777 685 A 578 ASP HBy A 581 GLN HBy 1.0 . 4.00 778 686 A 581 GLN HA A 581 GLN HGy 1.0 . 3.59 779 687 A 581 GLN HA A 581 GLN HGx 1.0 . 3.75 780 688 A 576 LEU HDy% A 581 GLN HBx 1.0 . 4.13 781 688 A 576 LEU HDy% A 581 GLN HBy 1.0 . 4.13 782 689 A 584 ALA H A 582 LEU HA 1.0 . 5.23 783 690 A 583 ALA H A 582 LEU HBx 1.0 . 4.98 784 691 A 582 LEU HBx A 579 PRO HA 1.0 . 5.16 785 692 A 582 LEU HA A 582 LEU HDy% 1.0 . 3.24 786 693 A 582 LEU HDx% A 579 PRO HA 1.0 . 3.77 787 694 A 582 LEU HDx% A 570 MET HGx 1.0 . 4.80 788 695 A 582 LEU HDx% A 582 LEU HBy 1.0 . 3.49 789 696 A 582 LEU HDx% A 582 LEU HBx 1.0 . 3.46 790 697 A 582 LEU HBy A 582 LEU HDy% 1.0 . 3.42 791 698 A 582 LEU HDy% A 570 MET HGx 1.0 . 4.25 792 699 A 582 LEU HDx% A 582 LEU HA 1.0 . 3.94 793 700 A 582 LEU HG A 582 LEU HA 1.0 . 3.90 794 701 A 585 GLU HBy A 582 LEU HA 1.0 . 3.95 795 702 A 583 ALA HA A 561 PHE HE% 1.0 . 4.12 796 703 A 583 ALA HB% A 561 PHE HE% 1.0 . 3.42 797 704 A 583 ALA HB% A 584 ALA H 1.0 . 3.15 798 705 A 583 ALA HA A 586 ILE HB 1.0 . 3.74 799 706 A 584 ALA HA A 587 LEU H 1.0 . 4.13 800 707 A 584 ALA H A 584 ALA HB% 1.0 . 2.95 801 708 A 584 ALA HA A 587 LEU HBy 1.0 . 3.75 802 709 A 588 SER H A 585 GLU HA 1.0 . 3.97 803 710 A 586 ILE H A 585 GLU HBy 1.0 . 4.45 804 711 A 585 GLU HA A 588 SER HBx 1.0 . 3.29 805 711 A 588 SER HBy A 585 GLU HA 1.0 . 3.29 806 712 A 582 LEU HA A 585 GLU HGy 1.0 . 5.49 807 713 A 582 LEU HA A 585 GLU HGx 1.0 . 5.49 808 714 A 585 GLU HA A 569 VAL HGx% 1.0 . 4.72 809 715 A 586 ILE H A 586 ILE HG1y 1.0 . 4.49 810 716 A 586 ILE HG2% A 590 LYS H 1.0 . 4.76 811 717 A 583 ALA H A 586 ILE HD1% 1.0 . 4.98 812 718 A 586 ILE HG2% A 561 PHE HD% 1.0 . 4.11 813 719 A 586 ILE HD1% A 561 PHE HD% 1.0 . 4.16 814 720 A 586 ILE HA A 589 TYR HBx 1.0 . 4.03 815 720 A 586 ILE HA A 589 TYR HBy 1.0 . 4.03 816 721 A 566 VAL HA A 586 ILE HD1% 1.0 . 3.62 817 722 A 583 ALA HA A 586 ILE HD1% 1.0 . 3.60 818 723 A 586 ILE HG2% A 562 PRO HDy 1.0 . 4.61 819 724 A 586 ILE HD1% A 562 PRO HDy 1.0 . 5.18 820 725 A 586 ILE HB A 587 LEU HA 1.0 . 5.50 821 726 A 586 ILE HA A 586 ILE HG1y 1.0 . 4.07 822 727 A 586 ILE HA A 586 ILE HG1x 1.0 . 4.07 823 728 A 586 ILE HA A 586 ILE HD1% 1.0 . 4.42 824 729 A 586 ILE HG2% A 586 ILE HG1y 1.0 . 3.68 825 730 A 586 ILE HG2% A 565 LEU HDy% 1.0 . 3.53 826 731 A 586 ILE HG2% A 586 ILE HG1x 1.0 . 3.68 827 732 A 586 ILE HG2% A 586 ILE HD1% 1.0 . 3.41 828 733 A 586 ILE HB A 586 ILE HD1% 1.0 . 3.62 829 734 A 586 ILE HD1% A 565 LEU HDy% 1.0 . 4.04 830 735 A 586 ILE HD1% A 561 PHE HBx 1.0 . 4.84 831 736 A 561 PHE HBy A 586 ILE HD1% 1.0 . 4.89 832 737 A 586 ILE HD1% A 566 VAL HB 1.0 . 5.47 833 738 A 586 ILE HG2% A 561 PHE HBy 1.0 . 5.00 834 739 A 586 ILE HG2% A 561 PHE HBx 1.0 . 4.51 835 740 A 586 ILE HB A 587 LEU HBy 1.0 . 5.50 836 741 A 586 ILE HB A 587 LEU HG 1.0 . 5.50 837 742 A 587 LEU H A 587 LEU HG 1.0 . 4.16 838 743 A 587 LEU H A 587 LEU HDx% 1.0 . 4.02 839 744 A 561 PHE HZ A 587 LEU HDy% 1.0 . 4.86 840 745 A 561 PHE HE% A 587 LEU HG 1.0 . 5.50 841 746 A 587 LEU HA A 587 LEU HDx% 1.0 . 4.03 842 747 A 586 ILE HG2% A 587 LEU HA 1.0 . 4.71 843 748 A 587 LEU HA A 587 LEU HDy% 1.0 . 4.03 844 749 A 587 LEU HA A 587 LEU HG 1.0 . 3.56 845 750 A 586 ILE HG2% A 587 LEU HG 1.0 . 5.50 846 751 A 587 LEU HBx A 587 LEU HDx% 1.0 . 3.72 847 752 A 587 LEU HBx A 587 LEU HDy% 1.0 . 3.72 848 753 A 588 SER HA A 588 SER HBx 1.0 . 2.76 849 753 A 588 SER HBy A 588 SER HA 1.0 . 2.76 850 754 A 588 SER HBx A 589 TYR HBx 1.0 . 4.84 851 754 A 588 SER HBy A 589 TYR HBx 1.0 . 4.84 852 754 A 589 TYR HBy A 588 SER HBx 1.0 . 4.84 853 754 A 589 TYR HBy A 588 SER HBy 1.0 . 4.84 854 755 A 587 LEU HBy A 588 SER HA 1.0 . 5.24 855 756 A 588 SER HA A 590 LYS HBx 1.0 . 5.50 856 756 A 590 LYS HBy A 588 SER HA 1.0 . 5.50 857 757 A 587 LEU HBx A 588 SER HA 1.0 . 4.66 858 758 A 592 GLN H A 589 TYR HA 1.0 . 4.56 859 759 A 589 TYR HA A 592 GLN HBy 1.0 . 4.52 860 760 A 569 VAL HGx% A 589 TYR HBx 1.0 . 5.50 861 760 A 589 TYR HBy A 569 VAL HGx% 1.0 . 5.50 862 761 A 590 LYS H A 590 LYS HGy 1.0 . 4.86 863 762 A 590 LYS H A 590 LYS HDy 1.0 . 5.41 864 763 A 590 LYS HA A 590 LYS HGy 1.0 . 4.21 865 764 A 590 LYS HA A 590 LYS HEx 1.0 . 4.56 866 764 A 590 LYS HA A 590 LYS HEy 1.0 . 4.56 867 765 A 590 LYS HA A 590 LYS HDx 1.0 . 4.37 868 766 A 590 LYS HA A 590 LYS HGx 1.0 . 4.21 869 767 A 590 LYS HA A 590 LYS HDy 1.0 . 4.37 870 768 A 590 LYS HEx A 590 LYS HGx 1.0 . 3.78 871 768 A 590 LYS HEy A 590 LYS HGx 1.0 . 3.78 872 769 A 590 LYS HGy A 590 LYS HEx 1.0 . 3.78 873 769 A 590 LYS HEy A 590 LYS HGy 1.0 . 3.78 874 770 A 590 LYS HBy A 590 LYS HEx 1.0 . 3.91 875 770 A 590 LYS HBx A 590 LYS HEx 1.0 . 3.91 876 770 A 590 LYS HEy A 590 LYS HBx 1.0 . 3.91 877 770 A 590 LYS HBy A 590 LYS HEy 1.0 . 3.91 878 771 A 565 LEU HDx% A 590 LYS HEx 1.0 . 4.73 879 771 A 565 LEU HDx% A 590 LYS HEy 1.0 . 4.73 880 772 A 565 LEU HDy% A 590 LYS HEx 1.0 . 4.97 881 772 A 565 LEU HDy% A 590 LYS HEy 1.0 . 4.97 882 773 A 565 LEU HG A 590 LYS HEx 1.0 . 4.52 883 773 A 565 LEU HG A 590 LYS HEy 1.0 . 4.52 884 774 A 590 LYS HBx A 590 LYS HDx 1.0 . 3.55 885 774 A 590 LYS HBy A 590 LYS HDx 1.0 . 3.55 886 775 A 591 SER HA A 591 SER HBx 1.0 . 2.57 887 775 A 591 SER HBy A 591 SER HA 1.0 . 2.57 888 776 A 588 SER HA A 591 SER HBx 1.0 . 3.26 889 776 A 591 SER HBy A 588 SER HA 1.0 . 3.26 890 777 A 589 TYR HA A 592 GLN HBx 1.0 . 4.52 891 778 A 592 GLN HA A 592 GLN HGx 1.0 . 3.70 892 779 A 592 GLN HA A 592 GLN HGy 1.0 . 3.70 893 780 A 595 SER H A 594 LEU HA 1.0 . 3.54 894 781 A 594 LEU HG A 594 LEU H 1.0 . 4.78 895 782 A 594 LEU HG A 594 LEU HA 1.0 . 3.53 896 783 A 594 LEU HA A 594 LEU HDy% 1.0 . 3.95 897 784 A 594 LEU HA A 594 LEU HDx% 1.0 . 3.95 898 785 A 594 LEU HBx A 594 LEU HDx% 1.0 . 3.41 899 785 A 594 LEU HBy A 594 LEU HDx% 1.0 . 3.41 900 786 A 594 LEU HBy A 594 LEU HDy% 1.0 . 3.41 901 786 A 594 LEU HDy% A 594 LEU HBx 1.0 . 3.41 902 787 A 596 GLU HA A 596 GLU HGx 1.0 . 3.91 903 787 A 596 GLU HGy A 596 GLU HA 1.0 . 3.91 904 788 A 547 ALA H A 546 LEU HG 1.0 . 5.50 905 789 A 551 ALA HB% A 548 LYS HA 1.0 . 3.18 906 790 A 554 TYR HD% A 551 ALA HA 1.0 . 4.99 907 791 A 557 LEU HBx A 554 TYR HA 1.0 . 4.85 908 792 A 555 THR HA A 558 CYS HBx 1.0 . 5.50 909 793 A 555 THR HA A 558 CYS HBy 1.0 . 4.24 910 794 A 555 THR HB A 552 GLY HAx 1.0 . 4.57 911 795 A 582 LEU HBy A 557 LEU HDy% 1.0 . 3.98 912 796 A 582 LEU HBy A 557 LEU HDx% 1.0 . 3.98 913 797 A 554 TYR HE% A 563 PRO HA 1.0 . 5.50 914 798 A 570 MET H A 567 GLU HA 1.0 . 4.11 915 799 A 586 ILE HG2% A 569 VAL HGy% 1.0 . 4.45 916 800 A 570 MET HA A 572 ARG H 1.0 . 5.17 917 801 A 569 VAL HA A 572 ARG HDx 1.0 . 4.79 918 801 A 572 ARG HDy A 569 VAL HA 1.0 . 4.79 919 802 A 573 PHE HBy A 576 LEU HBx 1.0 . 4.43 920 803 A 573 PHE HBy A 576 LEU HBy 1.0 . 4.64 921 804 A 560 VAL HGx% A 561 PHE HBy 1.0 . 4.65 922 805 A 576 LEU HDy% A 581 GLN HGy 1.0 . 4.81 923 806 A 570 MET HA A 582 LEU HDy% 1.0 . 3.89 924 807 A 581 GLN HA A 584 ALA HB% 1.0 . 3.32 925 808 A 586 ILE HG2% A 586 ILE HA 1.0 . 3.59 926 809 A 590 LYS H A 587 LEU HA 1.0 . 3.98 927 810 A 586 ILE HG2% A 589 TYR HBx 1.0 . 5.50 928 810 A 586 ILE HG2% A 589 TYR HBy 1.0 . 5.50 929 811 A 566 VAL HA A 569 VAL HB 1.0 . 4.54 930 812 A 565 LEU HA A 568 ALA HB% 1.0 . 3.37 931 813 A 555 THR H A 552 GLY HAx 1.0 . 5.50 932 814 A 553 VAL HA A 556 LYS HBx 1.0 . 4.00 933 814 A 553 VAL HA A 556 LYS HBy 1.0 . 4.00 934 815 A 585 GLU HBx A 582 LEU HA 1.0 . 5.03 935 816 A 590 LYS HBx A 591 SER HBx 1.0 . 4.41 936 816 A 590 LYS HBy A 591 SER HBx 1.0 . 4.41 937 816 A 591 SER HBy A 590 LYS HBx 1.0 . 4.41 938 816 A 590 LYS HBy A 591 SER HBy 1.0 . 4.41 939 817 A 587 LEU HA A 590 LYS HBx 1.0 . 3.56 940 817 A 590 LYS HBy A 587 LEU HA 1.0 . 3.56 941 818 A 591 SER H A 588 SER HA 1.0 . 3.74 942 819 A 553 VAL HGy% A 549 GLU HGx 1.0 . 3.91 943 819 A 549 GLU HGy A 553 VAL HGy% 1.0 . 3.91 944 820 A 560 VAL HGx% A 583 ALA HB% 1.0 . 3.64 945 821 A 562 PRO HBx A 565 LEU HDx% 1.0 . 5.02 946 822 A 565 LEU H A 562 PRO HDy 1.0 . 5.34 947 823 A 565 LEU H A 562 PRO HDx 1.0 . 5.50 948 824 A 561 PHE HBx A 562 PRO HDx 1.0 . 4.41 949 825 A 561 PHE HBx A 562 PRO HDy 1.0 . 4.56 950 826 A 573 PHE H A 569 VAL HGx% 1.0 . 4.31 951 827 A 560 VAL HGx% A 579 PRO HA 1.0 . 5.15 952 828 A 560 VAL HGx% A 580 GLN H 1.0 . 5.50 953 829 A 575 GLN H A 574 PRO HGx 1.0 . 4.61 954 830 A 540 GLY HAy A 541 PRO HDx 1.0 . 3.04 955 830 A 540 GLY HAx A 541 PRO HDx 1.0 . 3.04 956 830 A 541 PRO HDy A 540 GLY HAx 1.0 . 3.04 957 830 A 540 GLY HAy A 541 PRO HDy 1.0 . 3.04 958 831 A 549 GLU H A 548 LYS HGx 1.0 . 5.50 959 832 A 544 GLY HAy A 543 MET HBy 1.0 . 4.73 960 832 A 543 MET HBy A 544 GLY HAx 1.0 . 4.73 961 833 A 544 GLY HAy A 543 MET HBx 1.0 . 4.73 962 833 A 543 MET HBx A 544 GLY HAx 1.0 . 4.73 963 834 A 546 LEU HA A 549 GLU HGx 1.0 . 4.08 964 834 A 549 GLU HGy A 546 LEU HA 1.0 . 4.08 965 835 A 549 GLU H A 547 ALA HA 1.0 . 4.94 966 836 A 547 ALA HB% A 548 LYS H 1.0 . 3.12 967 837 A 548 LYS H A 545 ASP HBx 1.0 . 5.50 968 838 A 553 VAL HGy% A 549 GLU HBx 1.0 . 3.32 969 838 A 549 GLU HBy A 553 VAL HGy% 1.0 . 3.32 970 839 A 577 LEU HBx A 549 GLU HGx 1.0 . 5.50 971 839 A 549 GLU HGy A 577 LEU HBx 1.0 . 5.50 972 840 A 549 GLU H A 547 ALA HB% 1.0 . 4.75 973 841 A 550 ARG H A 550 ARG HGx 1.0 . 4.74 974 842 A 550 ARG H A 550 ARG HGy 1.0 . 4.74 975 843 A 577 LEU HDx% A 550 ARG HDx 1.0 . 3.40 976 843 A 577 LEU HDx% A 550 ARG HDy 1.0 . 3.40 977 844 A 553 VAL HGx% A 579 PRO HDx 1.0 . 4.63 978 845 A 557 LEU HBy A 553 VAL HGx% 1.0 . 4.42 979 846 A 553 VAL HGx% A 579 PRO HGy 1.0 . 4.69 980 847 A 553 VAL HGy% A 579 PRO HGx 1.0 . 4.25 981 848 A 555 THR HA A 558 CYS HG 1.0 . 4.29 982 849 A 579 PRO HA A 557 LEU HDy% 1.0 . 3.66 983 850 A 566 VAL HGx% A 558 CYS HA 1.0 . 5.50 984 851 A 566 VAL HGy% A 558 CYS HA 1.0 . 4.09 985 852 A 556 LYS HGx A 559 GLY HAx 1.0 . 5.46 986 853 A 561 PHE H A 561 PHE HBx 1.0 . 3.89 987 854 A 561 PHE HA A 562 PRO HDx 1.0 . 3.96 988 855 A 562 PRO HBx A 563 PRO HDx 1.0 . 4.62 989 856 A 562 PRO HBx A 563 PRO HDy 1.0 . 4.62 990 857 A 561 PHE HBy A 562 PRO HDx 1.0 . 4.94 991 858 A 561 PHE HBy A 562 PRO HDy 1.0 . 4.46 992 859 A 565 LEU HG A 562 PRO HDx 1.0 . 5.50 993 860 A 565 LEU HDx% A 562 PRO HDx 1.0 . 3.87 994 861 A 586 ILE HG2% A 565 LEU HG 1.0 . 4.22 995 862 A 566 VAL HA A 568 ALA H 1.0 . 4.27 996 863 A 567 GLU HA A 567 GLU HGx 1.0 . 4.01 997 864 A 572 ARG HA A 571 ARG HDx 1.0 . 4.21 998 864 A 571 ARG HDy A 572 ARG HA 1.0 . 4.21 999 865 A 568 ALA HA A 571 ARG HBy 1.0 . 3.88 1000 866 A 569 VAL HB A 586 ILE HG1y 1.0 . 4.38 1001 867 A 569 VAL HA A 572 ARG HBy 1.0 . 4.00 1002 868 A 582 LEU HDy% A 570 MET HE% 1.0 . 3.88 1003 869 A 577 LEU HDx% A 570 MET HE% 1.0 . 3.07 1004 870 A 582 LEU HDy% A 570 MET HGy 1.0 . 4.25 1005 871 A 582 LEU HDx% A 570 MET HGy 1.0 . 4.80 1006 872 A 571 ARG H A 571 ARG HBy 1.0 . 3.86 1007 873 A 565 LEU HDy% A 589 TYR HBx 1.0 . 4.12 1008 873 A 589 TYR HBy A 565 LEU HDy% 1.0 . 4.12 1009 874 A 575 GLN H A 576 LEU HG 1.0 . 5.50 1010 875 A 576 LEU HDy% A 581 GLN HE2y 1.0 . 3.85 1011 876 A 581 GLN HE2x A 576 LEU HDx% 1.0 . 4.40 1012 877 A 581 GLN HGx A 576 LEU HDx% 1.0 . 4.81 1013 878 A 576 LEU HDy% A 581 GLN HGx 1.0 . 5.15 1014 879 A 575 GLN HGx A 576 LEU HDx% 1.0 . 4.18 1015 880 A 577 LEU HDy% A 577 LEU HBy 1.0 . 3.32 1016 881 A 570 MET HE% A 577 LEU HA 1.0 . 4.52 1017 882 A 577 LEU HBx A 553 VAL HGy% 1.0 . 3.67 1018 883 A 553 VAL HGy% A 577 LEU HBy 1.0 . 3.87 1019 884 A 578 ASP H A 579 PRO HDy 1.0 . 5.38 1020 885 A 580 GLN H A 579 PRO HBx 1.0 . 4.02 1021 885 A 580 GLN H A 579 PRO HBy 1.0 . 4.02 1022 886 A 561 PHE HBy A 560 VAL HA 1.0 . 5.42 1023 887 A 553 VAL HGy% A 579 PRO HBx 1.0 . 4.58 1024 887 A 553 VAL HGy% A 579 PRO HBy 1.0 . 4.58 1025 888 A 553 VAL HGy% A 579 PRO HA 1.0 . 5.15 1026 889 A 560 VAL HGx% A 580 GLN HA 1.0 . 4.16 1027 890 A 580 GLN H A 578 ASP HBx 1.0 . 5.50 1028 890 A 578 ASP HBy A 580 GLN H 1.0 . 5.50 1029 891 A 578 ASP HA A 581 GLN HE2x 1.0 . 5.50 1030 892 A 582 LEU HDy% A 577 LEU HA 1.0 . 4.41 1031 893 A 582 LEU HDx% A 577 LEU HA 1.0 . 3.30 1032 894 A 582 LEU HBx A 582 LEU HDy% 1.0 . 3.52 1033 895 A 569 VAL HGx% A 585 GLU HBx 1.0 . 3.80 1034 896 A 569 VAL HGx% A 585 GLU HBy 1.0 . 3.35 1035 897 A 569 VAL HGy% A 586 ILE HA 1.0 . 3.39 1036 898 A 569 VAL HGy% A 586 ILE HD1% 1.0 . 3.97 1037 899 A 590 LYS HDy A 590 LYS HBx 1.0 . 3.55 1038 899 A 590 LYS HBy A 590 LYS HDy 1.0 . 3.55 1039 900 A 591 SER HA A 594 LEU HDx% 1.0 . 3.92 1040 901 A 591 SER HA A 594 LEU HDy% 1.0 . 3.92 1041 902 A 591 SER HA A 594 LEU HBx 1.0 . 4.26 1042 902 A 594 LEU HBy A 591 SER HA 1.0 . 4.26 1043 903 A 565 LEU HDx% A 565 LEU HBy 1.0 . 3.90 1044 904 A 547 ALA HB% A 544 GLY HAx 1.0 . 4.39 1045 904 A 544 GLY HAy A 547 ALA HB% 1.0 . 4.39 1046 905 A 555 THR HB A 556 LYS HDy 1.0 . 5.50 1047 906 A 555 THR HB A 556 LYS HDx 1.0 . 5.35 1048 907 A 560 VAL HB A 557 LEU HA 1.0 . 4.17 1049 908 A 556 LYS HA A 559 GLY HAx 1.0 . 4.37 1050 909 A 559 GLY HAx A 560 VAL HA 1.0 . 4.65 1051 910 A 560 VAL HGy% A 561 PHE HD% 1.0 . 5.06 1052 911 A 583 ALA HB% A 560 VAL HB 1.0 . 4.95 1053 912 A 560 VAL HGy% A 583 ALA HB% 1.0 . 4.87 1054 913 A 561 PHE HBx A 565 LEU HDx% 1.0 . 4.89 1055 914 A 563 PRO HA A 562 PRO HBx 1.0 . 4.72 1056 915 A 571 ARG H A 569 VAL HA 1.0 . 4.09 1057 916 A 553 VAL HGy% A 570 MET HE% 1.0 . 4.81 1058 917 A 576 LEU HBy A 573 PHE HD% 1.0 . 5.50 1059 918 A 590 LYS H A 588 SER HA 1.0 . 5.06 1060 919 A 554 TYR H A 554 TYR HD% 1.0 . 4.40 1061 920 A 554 TYR HA A 554 TYR HD% 1.0 . 3.54 1062 921 A 566 VAL HGx% A 554 TYR HD% 1.0 . 3.25 1063 922 A 554 TYR HE% A 566 VAL HGx% 1.0 . 3.83 1064 923 A 554 TYR HD% A 570 MET HE% 1.0 . 4.19 1065 924 A 554 TYR HE% A 566 VAL HB 1.0 . 3.76 1066 925 A 561 PHE H A 561 PHE HD% 1.0 . 4.14 1067 926 A 561 PHE HD% A 561 PHE HA 1.0 . 4.15 1068 927 A 561 PHE HD% A 562 PRO HDx 1.0 . 4.44 1069 928 A 561 PHE HD% A 562 PRO HDy 1.0 . 4.47 1070 929 A 566 VAL HGy% A 561 PHE HD% 1.0 . 4.09 1071 930 A 561 PHE HD% A 565 LEU HDx% 1.0 . 3.99 1072 931 A 565 LEU H A 564 HIS HE1 1.0 . 4.60 1073 932 A 564 HIS HD2 A 564 HIS HBx 1.0 . 3.94 1074 933 A 564 HIS HD2 A 564 HIS HBy 1.0 . 3.94 1075 934 A 564 HIS HD2 A 565 LEU HDy% 1.0 . 3.84 1076 935 A 564 HIS HD2 A 565 LEU HG 1.0 . 4.54 1077 936 A 565 LEU HDy% A 564 HIS HE1 1.0 . 4.30 1078 937 A 565 LEU HG A 564 HIS HE1 1.0 . 3.76 1079 938 A 562 PRO HBy A 564 HIS HE1 1.0 . 4.06 1080 939 A 562 PRO HBx A 564 HIS HE1 1.0 . 3.65 1081 940 A 573 PHE HD% A 573 PHE HZ 1.0 . 4.02 1082 941 A 576 LEU HBx A 573 PHE HD% 1.0 . 4.36 1083 942 A 573 PHE HD% A 572 ARG HBx 1.0 . 4.94 1084 943 A 589 TYR H A 589 TYR HD% 1.0 . 4.30 1085 944 A 590 LYS H A 589 TYR HD% 1.0 . 3.90 1086 945 A 589 TYR HA A 589 TYR HD% 1.0 . 3.48 1087 946 A 565 LEU HA A 589 TYR HD% 1.0 . 4.86 1088 947 A 565 LEU HA A 589 TYR HE% 1.0 . 4.31 1089 948 A 565 LEU HDy% A 589 TYR HD% 1.0 . 3.49 1090 949 A 569 VAL HGy% A 589 TYR HD% 1.0 . 4.02 1091 950 A 565 LEU HDy% A 589 TYR HE% 1.0 . 3.38 1092 951 A 568 ALA HB% A 589 TYR HE% 1.0 . 4.03 1093 952 A 593 HIS HA A 593 HIS HD2 1.0 . 4.48 1094 953 A 592 GLN HA A 593 HIS HD2 1.0 . 4.27 1095 954 A 593 HIS HD2 A 592 GLN HBx 1.0 . 4.19 1096 955 A 593 HIS HD2 A 592 GLN HBy 1.0 . 4.19 1097 956 A 554 TYR HE% A 567 GLU HA 1.0 . 4.48 1098 957 A 557 LEU HBx A 554 TYR HD% 1.0 . 5.50 1099 958 A 555 THR HA A 554 TYR HD% 1.0 . 4.27 1100 959 A 554 TYR HD% A 567 GLU HA 1.0 . 5.46 1101 960 A 560 VAL HGx% A 561 PHE HD% 1.0 . 4.67 1102 961 A 560 VAL HB A 561 PHE HD% 1.0 . 4.35 1103 962 A 573 PHE H A 573 PHE HD% 1.0 . 3.22 1104 963 A 561 PHE HZ A 587 LEU HDx% 1.0 . 4.86 1105 964 A 583 ALA HB% A 561 PHE HZ 1.0 . 4.27 1106 965 A 587 LEU HG A 561 PHE HZ 1.0 . 5.01 1107 966 A 590 LYS HA A 589 TYR HD% 1.0 . 4.41 1108 967 A 554 TYR HE% A 567 GLU HGy 1.0 . 3.80 1109 968 A 554 TYR HE% A 567 GLU HGx 1.0 . 3.80 1110 969 A 564 HIS HD2 A 564 HIS HA 1.0 . 4.87 1111 970 A 544 GLY H A 543 MET HBy 1.0 . 4.45 1112 970 A 544 GLY H A 543 MET HBx 1.0 . 4.45 1113 971 A 543 MET HBy A 544 GLY HAx 1.0 . 4.00 1114 971 A 544 GLY HAy A 543 MET HBy 1.0 . 4.00 1115 971 A 544 GLY HAy A 543 MET HBx 1.0 . 4.00 1116 971 A 543 MET HBx A 544 GLY HAx 1.0 . 4.00 1117 972 A 544 GLY H A 545 ASP HBy 1.0 . 5.34 1118 972 A 544 GLY H A 545 ASP HBx 1.0 . 5.34 1119 973 A 545 ASP H A 545 ASP HBy 1.0 . 3.17 1120 973 A 545 ASP H A 545 ASP HBx 1.0 . 3.17 1121 974 A 548 LYS H A 545 ASP HBy 1.0 . 4.68 1122 974 A 548 LYS H A 545 ASP HBx 1.0 . 4.68 1123 975 A 545 ASP HBy A 548 LYS HBx 1.0 . 4.53 1124 975 A 545 ASP HBx A 548 LYS HBx 1.0 . 4.53 1125 975 A 548 LYS HBy A 545 ASP HBy 1.0 . 4.53 1126 975 A 548 LYS HBy A 545 ASP HBx 1.0 . 4.53 1127 976 A 546 LEU H A 546 LEU HBy 1.0 . 2.96 1128 976 A 546 LEU H A 546 LEU HBx 1.0 . 2.96 1129 977 A 546 LEU H A 546 LEU HDx% 1.0 . 4.15 1130 977 A 546 LEU H A 546 LEU HDy% 1.0 . 4.15 1131 978 A 546 LEU HA A 546 LEU HDx% 1.0 . 3.05 1132 978 A 546 LEU HA A 546 LEU HDy% 1.0 . 3.05 1133 979 A 546 LEU HG A 546 LEU HBy 1.0 . 2.45 1134 979 A 546 LEU HG A 546 LEU HBx 1.0 . 2.45 1135 980 A 546 LEU HBy A 546 LEU HDx% 1.0 . 2.52 1136 980 A 546 LEU HBx A 546 LEU HDx% 1.0 . 2.52 1137 980 A 546 LEU HDy% A 546 LEU HBy 1.0 . 2.52 1138 980 A 546 LEU HBx A 546 LEU HDy% 1.0 . 2.52 1139 981 A 547 ALA H A 546 LEU HBy 1.0 . 3.39 1140 981 A 547 ALA H A 546 LEU HBx 1.0 . 3.39 1141 982 A 547 ALA H A 546 LEU HDx% 1.0 . 4.71 1142 982 A 547 ALA H A 546 LEU HDy% 1.0 . 4.71 1143 983 A 549 GLU H A 546 LEU HDx% 1.0 . 4.79 1144 983 A 549 GLU H A 546 LEU HDy% 1.0 . 4.79 1145 984 A 549 GLU HA A 546 LEU HDx% 1.0 . 5.39 1146 984 A 549 GLU HA A 546 LEU HDy% 1.0 . 5.39 1147 985 A 546 LEU HDy% A 549 GLU HBx 1.0 . 4.04 1148 985 A 546 LEU HDx% A 549 GLU HBx 1.0 . 4.04 1149 985 A 549 GLU HBy A 546 LEU HDx% 1.0 . 4.04 1150 985 A 549 GLU HBy A 546 LEU HDy% 1.0 . 4.04 1151 986 A 546 LEU HDy% A 549 GLU HGx 1.0 . 3.82 1152 986 A 546 LEU HDx% A 549 GLU HGx 1.0 . 3.82 1153 986 A 549 GLU HGy A 546 LEU HDx% 1.0 . 3.82 1154 986 A 549 GLU HGy A 546 LEU HDy% 1.0 . 3.82 1155 987 A 548 LYS H A 548 LYS HGx 1.0 . 4.19 1156 987 A 548 LYS H A 548 LYS HGy 1.0 . 4.19 1157 988 A 548 LYS HA A 548 LYS HGx 1.0 . 3.36 1158 988 A 548 LYS HA A 548 LYS HGy 1.0 . 3.36 1159 989 A 548 LYS HEx A 548 LYS HGx 1.0 . 3.31 1160 989 A 548 LYS HEy A 548 LYS HGx 1.0 . 3.31 1161 989 A 548 LYS HGy A 548 LYS HEx 1.0 . 3.31 1162 989 A 548 LYS HEy A 548 LYS HGy 1.0 . 3.31 1163 990 A 549 GLU H A 548 LYS HGx 1.0 . 4.72 1164 990 A 549 GLU H A 548 LYS HGy 1.0 . 4.72 1165 991 A 548 LYS HGx A 549 GLU HGx 1.0 . 5.34 1166 991 A 548 LYS HGy A 549 GLU HGx 1.0 . 5.34 1167 991 A 549 GLU HGy A 548 LYS HGx 1.0 . 5.34 1168 991 A 549 GLU HGy A 548 LYS HGy 1.0 . 5.34 1169 992 A 550 ARG HA A 550 ARG HGx 1.0 . 3.26 1170 992 A 550 ARG HA A 550 ARG HGy 1.0 . 3.26 1171 993 A 550 ARG HBx A 550 ARG HGx 1.0 . 2.53 1172 993 A 550 ARG HBx A 550 ARG HGy 1.0 . 2.53 1173 994 A 554 TYR H A 550 ARG HGx 1.0 . 5.03 1174 994 A 554 TYR H A 550 ARG HGy 1.0 . 5.03 1175 995 A 570 MET HE% A 550 ARG HGx 1.0 . 3.58 1176 995 A 570 MET HE% A 550 ARG HGy 1.0 . 3.58 1177 996 A 553 VAL HA A 557 LEU HDx% 1.0 . 5.03 1178 996 A 553 VAL HA A 557 LEU HDy% 1.0 . 5.03 1179 997 A 553 VAL HGx% A 579 PRO HDx 1.0 . 3.93 1180 997 A 553 VAL HGx% A 579 PRO HDy 1.0 . 3.93 1181 998 A 553 VAL HGy% A 579 PRO HDx 1.0 . 3.83 1182 998 A 553 VAL HGy% A 579 PRO HDy 1.0 . 3.83 1183 999 A 554 TYR H A 557 LEU HDx% 1.0 . 4.62 1184 999 A 554 TYR H A 557 LEU HDy% 1.0 . 4.62 1185 1000 A 554 TYR HA A 557 LEU HDx% 1.0 . 3.50 1186 1000 A 554 TYR HA A 557 LEU HDy% 1.0 . 3.50 1187 1001 A 554 TYR HBy A 557 LEU HDx% 1.0 . 5.44 1188 1001 A 554 TYR HBy A 557 LEU HDy% 1.0 . 5.44 1189 1002 A 554 TYR HBx A 557 LEU HDx% 1.0 . 5.44 1190 1002 A 554 TYR HBx A 557 LEU HDy% 1.0 . 5.44 1191 1003 A 554 TYR HE% A 567 GLU HGx 1.0 . 3.33 1192 1003 A 554 TYR HE% A 567 GLU HGy 1.0 . 3.33 1193 1004 A 555 THR H A 557 LEU HDx% 1.0 . 5.44 1194 1004 A 555 THR H A 557 LEU HDy% 1.0 . 5.44 1195 1005 A 556 LYS H A 557 LEU HDx% 1.0 . 5.41 1196 1005 A 556 LYS H A 557 LEU HDy% 1.0 . 5.41 1197 1006 A 557 LEU H A 557 LEU HDx% 1.0 . 3.41 1198 1006 A 557 LEU H A 557 LEU HDy% 1.0 . 3.41 1199 1007 A 557 LEU HA A 557 LEU HDx% 1.0 . 3.11 1200 1007 A 557 LEU HA A 557 LEU HDy% 1.0 . 3.11 1201 1008 A 558 CYS H A 557 LEU HDx% 1.0 . 4.75 1202 1008 A 558 CYS H A 557 LEU HDy% 1.0 . 4.75 1203 1009 A 560 VAL HGx% A 557 LEU HDx% 1.0 . 3.78 1204 1009 A 560 VAL HGx% A 557 LEU HDy% 1.0 . 3.78 1205 1010 A 560 VAL HGy% A 557 LEU HDx% 1.0 . 3.56 1206 1010 A 560 VAL HGy% A 557 LEU HDy% 1.0 . 3.56 1207 1011 A 561 PHE H A 557 LEU HDx% 1.0 . 4.02 1208 1011 A 561 PHE H A 557 LEU HDy% 1.0 . 4.02 1209 1012 A 561 PHE HD% A 557 LEU HDx% 1.0 . 4.01 1210 1012 A 561 PHE HD% A 557 LEU HDy% 1.0 . 4.01 1211 1013 A 561 PHE HE% A 557 LEU HDx% 1.0 . 4.62 1212 1013 A 561 PHE HE% A 557 LEU HDy% 1.0 . 4.62 1213 1014 A 566 VAL HGy% A 557 LEU HDx% 1.0 . 3.12 1214 1014 A 566 VAL HGy% A 557 LEU HDy% 1.0 . 3.12 1215 1015 A 557 LEU HDy% A 579 PRO HBx 1.0 . 4.12 1216 1015 A 557 LEU HDx% A 579 PRO HBx 1.0 . 4.12 1217 1015 A 579 PRO HBy A 557 LEU HDx% 1.0 . 4.12 1218 1015 A 579 PRO HBy A 557 LEU HDy% 1.0 . 4.12 1219 1016 A 579 PRO HGy A 557 LEU HDx% 1.0 . 5.44 1220 1016 A 579 PRO HGy A 557 LEU HDy% 1.0 . 5.44 1221 1017 A 582 LEU H A 557 LEU HDx% 1.0 . 5.44 1222 1017 A 582 LEU H A 557 LEU HDy% 1.0 . 5.44 1223 1018 A 582 LEU HA A 557 LEU HDx% 1.0 . 5.20 1224 1018 A 582 LEU HA A 557 LEU HDy% 1.0 . 5.20 1225 1019 A 582 LEU HBy A 557 LEU HDx% 1.0 . 3.38 1226 1019 A 582 LEU HBy A 557 LEU HDy% 1.0 . 3.38 1227 1020 A 582 LEU HDx% A 557 LEU HDx% 1.0 . 3.07 1228 1020 A 582 LEU HDx% A 557 LEU HDy% 1.0 . 3.07 1229 1021 A 583 ALA H A 557 LEU HDx% 1.0 . 4.30 1230 1021 A 583 ALA H A 557 LEU HDy% 1.0 . 4.30 1231 1022 A 583 ALA HA A 557 LEU HDx% 1.0 . 5.44 1232 1022 A 583 ALA HA A 557 LEU HDy% 1.0 . 5.44 1233 1023 A 583 ALA HB% A 557 LEU HDx% 1.0 . 5.22 1234 1023 A 583 ALA HB% A 557 LEU HDy% 1.0 . 5.22 1235 1024 A 586 ILE HD1% A 557 LEU HDx% 1.0 . 3.69 1236 1024 A 586 ILE HD1% A 557 LEU HDy% 1.0 . 3.69 1237 1025 A 561 PHE HA A 562 PRO HGx 1.0 . 4.63 1238 1025 A 561 PHE HA A 562 PRO HGy 1.0 . 4.63 1239 1026 A 561 PHE HE% A 587 LEU HDx% 1.0 . 4.55 1240 1026 A 561 PHE HE% A 587 LEU HDy% 1.0 . 4.55 1241 1027 A 561 PHE HZ A 587 LEU HDx% 1.0 . 4.08 1242 1027 A 561 PHE HZ A 587 LEU HDy% 1.0 . 4.08 1243 1028 A 564 HIS HE1 A 562 PRO HGx 1.0 . 3.46 1244 1028 A 564 HIS HE1 A 562 PRO HGy 1.0 . 3.46 1245 1029 A 565 LEU H A 562 PRO HGx 1.0 . 4.40 1246 1029 A 565 LEU H A 562 PRO HGy 1.0 . 4.40 1247 1030 A 565 LEU HG A 562 PRO HGx 1.0 . 5.04 1248 1030 A 565 LEU HG A 562 PRO HGy 1.0 . 5.04 1249 1031 A 565 LEU HDx% A 562 PRO HGx 1.0 . 3.70 1250 1031 A 565 LEU HDx% A 562 PRO HGy 1.0 . 3.70 1251 1032 A 562 PRO HDy A 565 LEU HBy 1.0 . 4.41 1252 1032 A 562 PRO HDy A 565 LEU HBx 1.0 . 4.41 1253 1033 A 563 PRO HA A 567 GLU HGx 1.0 . 4.88 1254 1033 A 563 PRO HA A 567 GLU HGy 1.0 . 4.88 1255 1034 A 564 HIS H A 563 PRO HBx 1.0 . 4.08 1256 1034 A 564 HIS H A 563 PRO HBy 1.0 . 4.08 1257 1035 A 564 HIS H A 563 PRO HGx 1.0 . 4.55 1258 1035 A 564 HIS H A 563 PRO HGy 1.0 . 4.55 1259 1036 A 564 HIS H A 563 PRO HDx 1.0 . 4.64 1260 1036 A 564 HIS H A 563 PRO HDy 1.0 . 4.64 1261 1037 A 564 HIS HD2 A 564 HIS HBx 1.0 . 3.43 1262 1037 A 564 HIS HD2 A 564 HIS HBy 1.0 . 3.43 1263 1038 A 565 LEU H A 564 HIS HBx 1.0 . 4.02 1264 1038 A 565 LEU H A 564 HIS HBy 1.0 . 4.02 1265 1039 A 565 LEU H A 565 LEU HBy 1.0 . 3.16 1266 1039 A 565 LEU H A 565 LEU HBx 1.0 . 3.16 1267 1040 A 566 VAL H A 565 LEU HBy 1.0 . 3.50 1268 1040 A 566 VAL H A 565 LEU HBx 1.0 . 3.50 1269 1041 A 566 VAL HA A 565 LEU HBy 1.0 . 5.34 1270 1041 A 566 VAL HA A 565 LEU HBx 1.0 . 5.34 1271 1042 A 586 ILE HG2% A 565 LEU HBy 1.0 . 3.71 1272 1042 A 586 ILE HG2% A 565 LEU HBx 1.0 . 3.71 1273 1043 A 565 LEU HDy% A 586 ILE HG1x 1.0 . 3.47 1274 1043 A 565 LEU HDy% A 586 ILE HG1y 1.0 . 3.47 1275 1044 A 567 GLU HA A 567 GLU HGx 1.0 . 3.33 1276 1044 A 567 GLU HA A 567 GLU HGy 1.0 . 3.33 1277 1045 A 567 GLU HA A 570 MET HBy 1.0 . 4.44 1278 1045 A 567 GLU HA A 570 MET HBx 1.0 . 4.44 1279 1046 A 567 GLU HBy A 567 GLU HGx 1.0 . 2.49 1280 1046 A 567 GLU HBy A 567 GLU HGy 1.0 . 2.49 1281 1047 A 568 ALA H A 567 GLU HGx 1.0 . 4.38 1282 1047 A 568 ALA H A 567 GLU HGy 1.0 . 4.38 1283 1048 A 568 ALA H A 570 MET HGy 1.0 . 5.34 1284 1048 A 568 ALA H A 570 MET HGx 1.0 . 5.34 1285 1049 A 569 VAL HA A 572 ARG HBx 1.0 . 3.48 1286 1049 A 569 VAL HA A 572 ARG HBy 1.0 . 3.48 1287 1050 A 569 VAL HB A 586 ILE HG1x 1.0 . 3.78 1288 1050 A 569 VAL HB A 586 ILE HG1y 1.0 . 3.78 1289 1051 A 569 VAL HGx% A 585 GLU HGx 1.0 . 4.68 1290 1051 A 569 VAL HGx% A 585 GLU HGy 1.0 . 4.68 1291 1052 A 569 VAL HGx% A 586 ILE HG1x 1.0 . 4.00 1292 1052 A 569 VAL HGx% A 586 ILE HG1y 1.0 . 4.00 1293 1053 A 569 VAL HGy% A 585 GLU HGx 1.0 . 5.34 1294 1053 A 569 VAL HGy% A 585 GLU HGy 1.0 . 5.34 1295 1054 A 569 VAL HGy% A 586 ILE HG1x 1.0 . 3.98 1296 1054 A 569 VAL HGy% A 586 ILE HG1y 1.0 . 3.98 1297 1055 A 570 MET H A 570 MET HBy 1.0 . 3.23 1298 1055 A 570 MET H A 570 MET HBx 1.0 . 3.23 1299 1056 A 570 MET H A 570 MET HGy 1.0 . 3.38 1300 1056 A 570 MET H A 570 MET HGx 1.0 . 3.38 1301 1057 A 570 MET HA A 570 MET HGy 1.0 . 3.26 1302 1057 A 570 MET HA A 570 MET HGx 1.0 . 3.26 1303 1058 A 571 ARG H A 570 MET HBy 1.0 . 3.31 1304 1058 A 571 ARG H A 570 MET HBx 1.0 . 3.31 1305 1059 A 582 LEU HDx% A 570 MET HGy 1.0 . 4.04 1306 1059 A 582 LEU HDx% A 570 MET HGx 1.0 . 4.04 1307 1060 A 571 ARG H A 571 ARG HBx 1.0 . 2.99 1308 1060 A 571 ARG H A 571 ARG HBy 1.0 . 2.99 1309 1061 A 571 ARG H A 571 ARG HGx 1.0 . 4.20 1310 1061 A 571 ARG H A 571 ARG HGy 1.0 . 4.20 1311 1062 A 571 ARG HA A 571 ARG HGx 1.0 . 3.04 1312 1062 A 571 ARG HA A 571 ARG HGy 1.0 . 3.04 1313 1063 A 571 ARG HBx A 571 ARG HGx 1.0 . 2.31 1314 1063 A 571 ARG HBy A 571 ARG HGx 1.0 . 2.31 1315 1063 A 571 ARG HGy A 571 ARG HBx 1.0 . 2.31 1316 1063 A 571 ARG HBy A 571 ARG HGy 1.0 . 2.31 1317 1064 A 571 ARG HBx A 571 ARG HDx 1.0 . 3.28 1318 1064 A 571 ARG HBy A 571 ARG HDx 1.0 . 3.28 1319 1064 A 571 ARG HDy A 571 ARG HBx 1.0 . 3.28 1320 1064 A 571 ARG HDy A 571 ARG HBy 1.0 . 3.28 1321 1065 A 572 ARG H A 571 ARG HBx 1.0 . 3.57 1322 1065 A 572 ARG H A 571 ARG HBy 1.0 . 3.57 1323 1066 A 572 ARG H A 572 ARG HBx 1.0 . 2.95 1324 1066 A 572 ARG H A 572 ARG HBy 1.0 . 2.95 1325 1067 A 572 ARG H A 572 ARG HGx 1.0 . 4.12 1326 1067 A 572 ARG H A 572 ARG HGy 1.0 . 4.12 1327 1068 A 572 ARG HBx A 572 ARG HDx 1.0 . 3.64 1328 1068 A 572 ARG HDy A 572 ARG HBx 1.0 . 3.64 1329 1068 A 572 ARG HDy A 572 ARG HBy 1.0 . 3.64 1330 1068 A 572 ARG HBy A 572 ARG HDx 1.0 . 3.64 1331 1069 A 573 PHE H A 572 ARG HBx 1.0 . 3.55 1332 1069 A 573 PHE H A 572 ARG HBy 1.0 . 3.55 1333 1070 A 573 PHE HBy A 572 ARG HBx 1.0 . 5.32 1334 1070 A 573 PHE HBy A 572 ARG HBy 1.0 . 5.32 1335 1071 A 573 PHE HD% A 572 ARG HBx 1.0 . 4.18 1336 1071 A 573 PHE HD% A 572 ARG HBy 1.0 . 4.18 1337 1072 A 573 PHE H A 572 ARG HGx 1.0 . 4.34 1338 1072 A 573 PHE H A 572 ARG HGy 1.0 . 4.34 1339 1073 A 578 ASP H A 579 PRO HDx 1.0 . 4.66 1340 1073 A 578 ASP H A 579 PRO HDy 1.0 . 4.66 1341 1074 A 580 GLN HE2y A 579 PRO HBy 1.0 . 5.03 1342 1074 A 580 GLN HE2x A 579 PRO HBx 1.0 . 5.03 1343 1074 A 580 GLN HE2x A 579 PRO HBy 1.0 . 5.03 1344 1074 A 580 GLN HE2y A 579 PRO HBx 1.0 . 5.03 1345 1075 A 580 GLN HE2x A 579 PRO HGy 1.0 . 5.07 1346 1075 A 579 PRO HGy A 580 GLN HE2y 1.0 . 5.07 1347 1076 A 580 GLN H A 579 PRO HDx 1.0 . 3.71 1348 1076 A 580 GLN H A 579 PRO HDy 1.0 . 3.71 1349 1077 A 580 GLN HE2y A 579 PRO HDy 1.0 . 4.31 1350 1077 A 580 GLN HE2x A 579 PRO HDx 1.0 . 4.31 1351 1077 A 580 GLN HE2x A 579 PRO HDy 1.0 . 4.31 1352 1077 A 580 GLN HE2y A 579 PRO HDx 1.0 . 4.31 1353 1078 A 580 GLN H A 580 GLN HGx 1.0 . 3.56 1354 1078 A 580 GLN H A 580 GLN HGy 1.0 . 3.56 1355 1079 A 580 GLN H A 580 GLN HE2x 1.0 . 3.48 1356 1079 A 580 GLN H A 580 GLN HE2y 1.0 . 3.48 1357 1080 A 580 GLN HA A 580 GLN HE2x 1.0 . 4.75 1358 1080 A 580 GLN HA A 580 GLN HE2y 1.0 . 4.75 1359 1081 A 580 GLN HE2x A 580 GLN HBy 1.0 . 4.12 1360 1081 A 580 GLN HBy A 580 GLN HE2y 1.0 . 4.12 1361 1082 A 580 GLN HBx A 580 GLN HGx 1.0 . 2.58 1362 1082 A 580 GLN HBx A 580 GLN HGy 1.0 . 2.58 1363 1083 A 580 GLN HE2x A 580 GLN HBx 1.0 . 4.14 1364 1083 A 580 GLN HBx A 580 GLN HE2y 1.0 . 4.14 1365 1084 A 582 LEU HA A 585 GLU HGx 1.0 . 4.63 1366 1084 A 582 LEU HA A 585 GLU HGy 1.0 . 4.63 1367 1085 A 583 ALA HA A 587 LEU HDx% 1.0 . 4.83 1368 1085 A 583 ALA HA A 587 LEU HDy% 1.0 . 4.83 1369 1086 A 583 ALA HB% A 587 LEU HDx% 1.0 . 3.20 1370 1086 A 583 ALA HB% A 587 LEU HDy% 1.0 . 3.20 1371 1087 A 584 ALA H A 587 LEU HDx% 1.0 . 4.40 1372 1087 A 584 ALA H A 587 LEU HDy% 1.0 . 4.40 1373 1088 A 584 ALA HA A 587 LEU HDx% 1.0 . 3.63 1374 1088 A 584 ALA HA A 587 LEU HDy% 1.0 . 3.63 1375 1089 A 585 GLU H A 585 GLU HGx 1.0 . 3.32 1376 1089 A 585 GLU H A 585 GLU HGy 1.0 . 3.32 1377 1090 A 585 GLU HA A 585 GLU HGx 1.0 . 3.66 1378 1090 A 585 GLU HA A 585 GLU HGy 1.0 . 3.66 1379 1091 A 586 ILE H A 586 ILE HG1x 1.0 . 3.72 1380 1091 A 586 ILE H A 586 ILE HG1y 1.0 . 3.72 1381 1092 A 586 ILE HA A 586 ILE HG1x 1.0 . 3.53 1382 1092 A 586 ILE HA A 586 ILE HG1y 1.0 . 3.53 1383 1093 A 586 ILE HG2% A 587 LEU HDx% 1.0 . 4.42 1384 1093 A 586 ILE HG2% A 587 LEU HDy% 1.0 . 4.42 1385 1094 A 587 LEU HA A 587 LEU HDx% 1.0 . 2.85 1386 1094 A 587 LEU HA A 587 LEU HDy% 1.0 . 2.85 1387 1095 A 587 LEU HBx A 587 LEU HDx% 1.0 . 2.94 1388 1095 A 587 LEU HBx A 587 LEU HDy% 1.0 . 2.94 1389 1096 A 591 SER H A 587 LEU HDx% 1.0 . 4.89 1390 1096 A 591 SER H A 587 LEU HDy% 1.0 . 4.89 1391 1097 A 589 TYR HA A 592 GLN HBy 1.0 . 3.87 1392 1097 A 589 TYR HA A 592 GLN HBx 1.0 . 3.87 1393 1098 A 589 TYR HA A 592 GLN HGx 1.0 . 4.10 1394 1098 A 589 TYR HA A 592 GLN HGy 1.0 . 4.10 1395 1099 A 590 LYS H A 590 LYS HGx 1.0 . 4.18 1396 1099 A 590 LYS H A 590 LYS HGy 1.0 . 4.18 1397 1100 A 590 LYS H A 590 LYS HDx 1.0 . 4.68 1398 1100 A 590 LYS H A 590 LYS HDy 1.0 . 4.68 1399 1101 A 590 LYS HA A 590 LYS HGx 1.0 . 3.33 1400 1101 A 590 LYS HA A 590 LYS HGy 1.0 . 3.33 1401 1102 A 590 LYS HA A 590 LYS HDx 1.0 . 3.57 1402 1102 A 590 LYS HA A 590 LYS HDy 1.0 . 3.57 1403 1103 A 590 LYS HA A 593 HIS HBx 1.0 . 4.50 1404 1103 A 590 LYS HA A 593 HIS HBy 1.0 . 4.50 1405 1104 A 590 LYS HBx A 590 LYS HDx 1.0 . 2.93 1406 1104 A 590 LYS HBy A 590 LYS HDx 1.0 . 2.93 1407 1104 A 590 LYS HDy A 590 LYS HBx 1.0 . 2.93 1408 1104 A 590 LYS HBy A 590 LYS HDy 1.0 . 2.93 1409 1105 A 592 GLN H A 592 GLN HBy 1.0 . 3.02 1410 1105 A 592 GLN H A 592 GLN HBx 1.0 . 3.02 1411 1106 A 592 GLN H A 592 GLN HGx 1.0 . 3.38 1412 1106 A 592 GLN H A 592 GLN HGy 1.0 . 3.38 1413 1107 A 592 GLN HA A 592 GLN HGx 1.0 . 3.16 1414 1107 A 592 GLN HA A 592 GLN HGy 1.0 . 3.16 1415 1108 A 593 HIS HD2 A 592 GLN HBy 1.0 . 3.64 1416 1108 A 593 HIS HD2 A 592 GLN HBx 1.0 . 3.64 1417 1109 A 593 HIS H A 593 HIS HBx 1.0 . 3.61 1418 1109 A 593 HIS H A 593 HIS HBy 1.0 . 3.61 1419 1110 A 593 HIS HD2 A 593 HIS HBx 1.0 . 3.48 1420 1110 A 593 HIS HD2 A 593 HIS HBy 1.0 . 3.48 1421 1111 A 593 HIS HE1 A 593 HIS HBx 1.0 . 4.49 1422 1111 A 593 HIS HBy A 593 HIS HE1 1.0 . 4.49 1423 1112 A 594 LEU H A 593 HIS HBx 1.0 . 4.21 1424 1112 A 594 LEU H A 593 HIS HBy 1.0 . 4.21 1425 1113 A 594 LEU H A 594 LEU HDx% 1.0 . 4.50 1426 1113 A 594 LEU H A 594 LEU HDy% 1.0 . 4.50 1427 1114 A 594 LEU HA A 594 LEU HDx% 1.0 . 3.04 1428 1114 A 594 LEU HA A 594 LEU HDy% 1.0 . 3.04 1429 1115 A 594 LEU HBy A 594 LEU HDx% 1.0 . 2.86 1430 1115 A 594 LEU HDy% A 594 LEU HBx 1.0 . 2.86 1431 1115 A 594 LEU HBy A 594 LEU HDy% 1.0 . 2.86 1432 1115 A 594 LEU HBx A 594 LEU HDx% 1.0 . 2.86 1433 1116 A 596 GLU H A 596 GLU HBy 1.0 . 3.42 1434 1116 A 596 GLU H A 596 GLU HBx 1.0 . 3.42 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 545 ASP C A 546 LEU N A 546 LEU CA A 546 LEU C 1.0 -96.7 -41.8 PHI 2 2 A 546 LEU N A 546 LEU CA A 546 LEU C A 547 ALA N 1.0 -55.5 -8.1 PSI 3 3 A 546 LEU C A 547 ALA N A 547 ALA CA A 547 ALA C 1.0 -78.3 -47.4 PHI 4 4 A 547 ALA N A 547 ALA CA A 547 ALA C A 548 LYS N 1.0 -55.5 -25.6 PSI 5 5 A 547 ALA C A 548 LYS N A 548 LYS CA A 548 LYS C 1.0 -80.7 -54.4 PHI 6 6 A 548 LYS N A 548 LYS CA A 548 LYS C A 549 GLU N 1.0 -56.2 -25.6 PSI 7 7 A 548 LYS C A 549 GLU N A 549 GLU CA A 549 GLU C 1.0 -83.2 -52.6 PHI 8 8 A 549 GLU N A 549 GLU CA A 549 GLU C A 550 ARG N 1.0 -60.8 -18.8 PSI 9 9 A 549 GLU C A 550 ARG N A 550 ARG CA A 550 ARG C 1.0 -77.9 -49.1 PHI 10 10 A 550 ARG N A 550 ARG CA A 550 ARG C A 551 ALA N 1.0 -58.0 -25.2 PSI 11 11 A 550 ARG C A 551 ALA N A 551 ALA CA A 551 ALA C 1.0 -79.3 -46.9 PHI 12 12 A 551 ALA N A 551 ALA CA A 551 ALA C A 552 GLY N 1.0 -60.3 -26.3 PSI 13 13 A 551 ALA C A 552 GLY N A 552 GLY CA A 552 GLY C 1.0 -76.9 -51.8 PHI 14 14 A 552 GLY N A 552 GLY CA A 552 GLY C A 553 VAL N 1.0 -54.9 -27.3 PSI 15 15 A 552 GLY C A 553 VAL N A 553 VAL CA A 553 VAL C 1.0 -80.0 -52.0 PHI 16 16 A 553 VAL N A 553 VAL CA A 553 VAL C A 554 TYR N 1.0 -56.3 -28.9 PSI 17 17 A 553 VAL C A 554 TYR N A 554 TYR CA A 554 TYR C 1.0 -75.2 -44.8 PHI 18 18 A 554 TYR N A 554 TYR CA A 554 TYR C A 555 THR N 1.0 -58.5 -24.9 PSI 19 19 A 554 TYR C A 555 THR N A 555 THR CA A 555 THR C 1.0 -78.6 -50.2 PHI 20 20 A 555 THR N A 555 THR CA A 555 THR C A 556 LYS N 1.0 -55.1 -28.3 PSI 21 21 A 555 THR C A 556 LYS N A 556 LYS CA A 556 LYS C 1.0 -77.1 -51.6 PHI 22 22 A 556 LYS N A 556 LYS CA A 556 LYS C A 557 LEU N 1.0 -56.7 -26.7 PSI 23 23 A 556 LYS C A 557 LEU N A 557 LEU CA A 557 LEU C 1.0 -79.3 -47.6 PHI 24 24 A 557 LEU N A 557 LEU CA A 557 LEU C A 558 CYS N 1.0 -63.1 -18.6 PSI 25 25 A 557 LEU C A 558 CYS N A 558 CYS CA A 558 CYS C 1.0 -79.2 -47.8 PHI 26 26 A 558 CYS N A 558 CYS CA A 558 CYS C A 559 GLY N 1.0 -45.5 -10.4 PSI 27 27 A 563 PRO C A 564 HIS N A 564 HIS CA A 564 HIS C 1.0 -89.3 -44.8 PHI 28 28 A 564 HIS N A 564 HIS CA A 564 HIS C A 565 LEU N 1.0 -60.4 -15.7 PSI 29 29 A 564 HIS C A 565 LEU N A 565 LEU CA A 565 LEU C 1.0 -82.5 -51.7 PHI 30 30 A 565 LEU N A 565 LEU CA A 565 LEU C A 566 VAL N 1.0 -60.6 -27.5 PSI 31 31 A 565 LEU C A 566 VAL N A 566 VAL CA A 566 VAL C 1.0 -74.1 -46.5 PHI 32 32 A 566 VAL N A 566 VAL CA A 566 VAL C A 567 GLU N 1.0 -59.2 -30.2 PSI 33 33 A 566 VAL C A 567 GLU N A 567 GLU CA A 567 GLU C 1.0 -69.7 -44.2 PHI 34 34 A 567 GLU N A 567 GLU CA A 567 GLU C A 568 ALA N 1.0 -57.7 -29.0 PSI 35 35 A 567 GLU C A 568 ALA N A 568 ALA CA A 568 ALA C 1.0 -82.9 -50.1 PHI 36 36 A 568 ALA N A 568 ALA CA A 568 ALA C A 569 VAL N 1.0 -58.5 -24.1 PSI 37 37 A 568 ALA C A 569 VAL N A 569 VAL CA A 569 VAL C 1.0 -82.0 -49.3 PHI 38 38 A 569 VAL N A 569 VAL CA A 569 VAL C A 570 MET N 1.0 -60.5 -30.1 PSI 39 39 A 569 VAL C A 570 MET N A 570 MET CA A 570 MET C 1.0 -70.1 -43.7 PHI 40 40 A 570 MET N A 570 MET CA A 570 MET C A 571 ARG N 1.0 -57.0 -26.7 PSI 41 41 A 570 MET C A 571 ARG N A 571 ARG CA A 571 ARG C 1.0 -82.5 -52.0 PHI 42 42 A 571 ARG N A 571 ARG CA A 571 ARG C A 572 ARG N 1.0 -53.6 -8.1 PSI 43 43 A 571 ARG C A 572 ARG N A 572 ARG CA A 572 ARG C 1.0 -101.2 -55.4 PHI 44 44 A 572 ARG N A 572 ARG CA A 572 ARG C A 573 PHE N 1.0 -59.4 -10.2 PSI 45 45 A 572 ARG C A 573 PHE N A 573 PHE CA A 573 PHE C 1.0 -147.9 -92.6 PHI 46 46 A 573 PHE N A 573 PHE CA A 573 PHE C A 574 PRO N 1.0 42.6 126.6 PSI 47 47 A 574 PRO C A 575 GLN N A 575 GLN CA A 575 GLN C 1.0 -113.0 -75.6 PHI 48 48 A 575 GLN N A 575 GLN CA A 575 GLN C A 576 LEU N 1.0 -14.1 23.9 PSI 49 49 A 576 LEU C A 577 LEU N A 577 LEU CA A 577 LEU C 1.0 -142.2 -92.3 PHI 50 50 A 577 LEU N A 577 LEU CA A 577 LEU C A 578 ASP N 1.0 98.6 171.3 PSI 51 51 A 577 LEU C A 578 ASP N A 578 ASP CA A 578 ASP C 1.0 -127.4 -46.5 PHI 52 52 A 578 ASP N A 578 ASP CA A 578 ASP C A 579 PRO N 1.0 112.0 173.6 PSI 53 53 A 579 PRO C A 580 GLN N A 580 GLN CA A 580 GLN C 1.0 -80.2 -49.2 PHI 54 54 A 580 GLN N A 580 GLN CA A 580 GLN C A 581 GLN N 1.0 -53.7 -20.2 PSI 55 55 A 580 GLN C A 581 GLN N A 581 GLN CA A 581 GLN C 1.0 -79.0 -45.5 PHI 56 56 A 581 GLN N A 581 GLN CA A 581 GLN C A 582 LEU N 1.0 -60.1 -25.6 PSI 57 57 A 581 GLN C A 582 LEU N A 582 LEU CA A 582 LEU C 1.0 -77.2 -47.2 PHI 58 58 A 582 LEU N A 582 LEU CA A 582 LEU C A 583 ALA N 1.0 -55.9 -21.1 PSI 59 59 A 582 LEU C A 583 ALA N A 583 ALA CA A 583 ALA C 1.0 -77.0 -46.9 PHI 60 60 A 583 ALA N A 583 ALA CA A 583 ALA C A 584 ALA N 1.0 -54.3 -24.6 PSI 61 61 A 583 ALA C A 584 ALA N A 584 ALA CA A 584 ALA C 1.0 -76.4 -45.9 PHI 62 62 A 584 ALA N A 584 ALA CA A 584 ALA C A 585 GLU N 1.0 -58.8 -25.2 PSI 63 63 A 584 ALA C A 585 GLU N A 585 GLU CA A 585 GLU C 1.0 -78.0 -50.9 PHI 64 64 A 585 GLU N A 585 GLU CA A 585 GLU C A 586 ILE N 1.0 -58.4 -24.4 PSI 65 65 A 585 GLU C A 586 ILE N A 586 ILE CA A 586 ILE C 1.0 -87.1 -45.4 PHI 66 66 A 586 ILE N A 586 ILE CA A 586 ILE C A 587 LEU N 1.0 -62.7 -21.2 PSI 67 67 A 586 ILE C A 587 LEU N A 587 LEU CA A 587 LEU C 1.0 -77.9 -45.5 PHI 68 68 A 587 LEU N A 587 LEU CA A 587 LEU C A 588 SER N 1.0 -55.7 -25.2 PSI 69 69 A 587 LEU C A 588 SER N A 588 SER CA A 588 SER C 1.0 -80.0 -52.5 PHI 70 70 A 588 SER N A 588 SER CA A 588 SER C A 589 TYR N 1.0 -54.6 -28.3 PSI 71 71 A 588 SER C A 589 TYR N A 589 TYR CA A 589 TYR C 1.0 -80.3 -55.0 PHI 72 72 A 589 TYR N A 589 TYR CA A 589 TYR C A 590 LYS N 1.0 -54.7 -26.5 PSI 73 73 A 589 TYR C A 590 LYS N A 590 LYS CA A 590 LYS C 1.0 -80.4 -53.9 PHI 74 74 A 590 LYS N A 590 LYS CA A 590 LYS C A 591 SER N 1.0 -55.2 -12.6 PSI 75 75 A 590 LYS C A 591 SER N A 591 SER CA A 591 SER C 1.0 -83.4 -49.3 PHI 76 76 A 591 SER N A 591 SER CA A 591 SER C A 592 GLN N 1.0 -55.3 -6.5 PSI 77 77 A 591 SER C A 592 GLN N A 592 GLN CA A 592 GLN C 1.0 -112.7 -56.5 PHI 78 78 A 592 GLN N A 592 GLN CA A 592 GLN C A 593 HIS N 1.0 -45.2 7.4 PSI stop_ save_