data_nef_c19179_2m7b 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 19178 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 36 HIS NE2 2 1 ZN ZN 1 33 CYS SG 2 1 ZN ZN 1 36 HIS ND1 2 1 ZN ZN 1 91 CYS SG 2 1 ZN ZN 1 88 CYS SG 2 1 ZN ZN stop_ 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 -1 GLY start . false 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 GLY middle . false 5 A 3 GLY middle . false 6 A 4 ILE middle . . 7 A 5 LYS middle . . 8 A 6 ARG middle . . 9 A 7 LEU middle . . 10 A 8 MET middle . . 11 A 9 GLU middle . . 12 A 10 GLU middle . . 13 A 11 GLU middle . . 14 A 12 ASP middle . . 15 A 13 ALA middle . . 16 A 14 LYS middle . . 17 A 15 TYR middle . . 18 A 16 SER middle . . 19 A 17 GLU middle . . 20 A 18 ALA middle . . 21 A 19 VAL middle . . 22 A 20 TYR middle . . 23 A 21 ILE middle . . 24 A 22 ALA middle . . 25 A 23 ILE middle . . 26 A 24 GLU middle . . 27 A 25 ALA middle . . 28 A 26 GLY middle . false 29 A 27 THR middle . . 30 A 28 LEU middle . . 31 A 29 ALA middle . . 32 A 30 GLU middle . . 33 A 31 CYS middle -HG . 34 A 32 GLU middle . . 35 A 33 VAL middle . . 36 A 34 HIS middle -HE2,-HD1 . 37 A 35 GLU middle . . 38 A 36 GLY middle . false 39 A 37 THR middle . . 40 A 38 TYR middle . . 41 A 39 PHE middle . . 42 A 40 SER middle . . 43 A 41 ASP middle . . 44 A 42 SER middle . . 45 A 43 GLY middle . false 46 A 44 ASP middle . . 47 A 45 ILE middle . . 48 A 46 SER middle . . 49 A 47 GLU middle . . 50 A 48 ALA middle . . 51 A 49 GLU middle . . 52 A 50 GLU middle . . 53 A 51 LEU middle . . 54 A 52 ALA middle . . 55 A 53 ARG middle . . 56 A 54 GLU middle . . 57 A 55 LYS middle . . 58 A 56 PHE middle . . 59 A 57 GLU middle . . 60 A 58 LYS middle . . 61 A 59 GLY middle . false 62 A 60 GLU middle . . 63 A 61 VAL middle . . 64 A 62 SER middle . . 65 A 63 ASN middle . . 66 A 64 PHE middle . . 67 A 65 ASP middle . . 68 A 66 ASP middle . . 69 A 67 VAL middle . . 70 A 68 GLU middle . . 71 A 69 GLU middle . . 72 A 70 LEU middle . . 73 A 71 VAL middle . . 74 A 72 LYS middle . . 75 A 73 LYS middle . . 76 A 74 VAL middle . . 77 A 75 VAL middle . . 78 A 76 ALA middle . . 79 A 77 VAL middle . . 80 A 78 CYS middle . . 81 A 79 GLU middle . . 82 A 80 GLU middle . . 83 A 81 LEU middle . . 84 A 82 GLY middle . false 85 A 83 ALA middle . . 86 A 84 GLU middle . . 87 A 85 GLU middle . . 88 A 86 CYS middle -HG . 89 A 87 PHE middle . . 90 A 88 SER middle . . 91 A 89 CYS middle -HG . 92 A 90 ASP middle . . 93 A 91 PHE middle . . 94 A 92 ASP end . . 95 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 4 ILE HD1% H 1 0.892 . A 4 ILE HG2% H 1 0.936 . A 4 ILE CB C 13 38.833 . A 4 ILE CD1 C 13 12.994 . A 4 ILE CG1 C 13 27.236 . A 4 ILE CG2 C 13 17.729 . A 13 ALA C C 13 180.627 . A 14 LYS H H 1 7.986 . A 14 LYS N N 15 118.085 . A 15 TYR HDx H 1 7.154 . A 15 TYR HDy H 1 7.154 . A 15 TYR HEx H 1 6.859 . A 15 TYR HEy H 1 6.859 . A 15 TYR CB C 13 38.333 . A 15 TYR CDx C 13 133.258 . A 15 TYR CDy C 13 133.258 . A 15 TYR CEx C 13 118.442 . A 15 TYR CEy C 13 118.442 . A 17 GLU C C 13 178.498 . A 18 ALA H H 1 8.085 . A 18 ALA HB% H 1 1.350 . A 18 ALA CA C 13 55.374 . A 18 ALA CB C 13 18.425 . A 18 ALA N N 15 117.689 . A 19 VAL HB H 1 1.810 . A 19 VAL HGx% H 1 0.399 . A 19 VAL HGy% H 1 -0.092 . A 19 VAL C C 13 177.450 . A 19 VAL CA C 13 66.812 . A 19 VAL CB C 13 31.269 . A 19 VAL CGy C 13 23.807 . A 19 VAL CGx C 13 20.232 . A 20 TYR H H 1 8.138 . A 20 TYR HA H 1 4.125 . A 20 TYR HBx H 1 3.153 . A 20 TYR HBy H 1 3.261 . A 20 TYR HDx H 1 7.260 . A 20 TYR HDy H 1 7.260 . A 20 TYR HEx H 1 6.831 . A 20 TYR HEy H 1 6.831 . A 20 TYR C C 13 179.914 . A 20 TYR CA C 13 62.330 . A 20 TYR CB C 13 37.182 . A 20 TYR CDx C 13 133.031 . A 20 TYR CDy C 13 133.031 . A 20 TYR CEx C 13 118.015 . A 20 TYR CEy C 13 118.015 . A 20 TYR N N 15 116.865 . A 21 ILE H H 1 8.112 . A 21 ILE HA H 1 3.658 . A 21 ILE HB H 1 1.895 . A 21 ILE HD1% H 1 0.892 . A 21 ILE HG1y H 1 0.939 . A 21 ILE HG1x H 1 0.912 . A 21 ILE HG2% H 1 0.784 . A 21 ILE C C 13 176.306 . A 21 ILE CA C 13 66.099 . A 21 ILE CB C 13 37.886 . A 21 ILE CD1 C 13 14.649 . A 21 ILE CG1 C 13 30.468 . A 21 ILE CG2 C 13 16.976 . A 21 ILE N N 15 122.973 . A 22 ALA H H 1 7.839 . A 22 ALA HA H 1 3.847 . A 22 ALA HB% H 1 1.321 . A 22 ALA C C 13 179.987 . A 22 ALA CA C 13 55.184 . A 22 ALA CB C 13 18.934 . A 22 ALA N N 15 122.302 . A 23 ILE H H 1 8.328 . A 23 ILE HA H 1 4.370 . A 23 ILE HB H 1 1.740 . A 23 ILE HD1% H 1 0.634 . A 23 ILE HG2% H 1 0.966 . A 23 ILE C C 13 180.184 . A 23 ILE CA C 13 63.705 . A 23 ILE CB C 13 38.342 . A 23 ILE CD1 C 13 14.396 . A 23 ILE CG1 C 13 28.789 . A 23 ILE CG2 C 13 18.550 . A 23 ILE N N 15 119.408 . A 24 GLU H H 1 8.344 . A 24 GLU HA H 1 3.888 . A 24 GLU HBy H 1 2.122 . A 24 GLU HBx H 1 2.082 . A 24 GLU HGx H 1 2.126 . A 24 GLU HGy H 1 2.305 . A 24 GLU C C 13 178.861 . A 24 GLU CA C 13 52.588 . A 24 GLU CB C 13 29.086 . A 24 GLU CG C 13 36.139 . A 24 GLU N N 15 125.684 . A 25 ALA H H 1 8.228 . A 25 ALA HA H 1 4.192 . A 25 ALA HB% H 1 1.415 . A 25 ALA C C 13 177.866 . A 25 ALA CA C 13 52.460 . A 25 ALA CB C 13 19.331 . A 25 ALA N N 15 117.589 . A 26 GLY H H 1 8.189 . A 26 GLY HAy H 1 4.275 . A 26 GLY HAx H 1 4.101 . A 26 GLY C C 13 173.535 . A 26 GLY CA C 13 44.787 . A 26 GLY N N 15 110.573 . A 27 THR H H 1 7.919 . A 27 THR HA H 1 4.445 . A 27 THR HB H 1 3.880 . A 27 THR HG2% H 1 1.090 . A 27 THR C C 13 176.521 . A 27 THR CA C 13 66.568 . A 27 THR CG2 C 13 22.163 . A 27 THR N N 15 119.446 . A 28 LEU H H 1 7.026 . A 28 LEU HA H 1 5.013 . A 28 LEU HBy H 1 1.221 . A 28 LEU HBx H 1 1.173 . A 28 LEU HDx% H 1 0.768 . A 28 LEU HDy% H 1 0.646 . A 28 LEU HG H 1 1.416 . A 28 LEU C C 13 173.798 . A 28 LEU CA C 13 52.000 . A 28 LEU CB C 13 46.821 . A 28 LEU CDy C 13 26.435 . A 28 LEU CDx C 13 22.483 . A 28 LEU CG C 13 26.353 . A 28 LEU N N 15 119.632 . A 29 ALA H H 1 8.856 . A 29 ALA HA H 1 4.392 . A 29 ALA HB% H 1 0.763 . A 29 ALA C C 13 173.471 . A 29 ALA CA C 13 50.683 . A 29 ALA CB C 13 22.970 . A 29 ALA N N 15 121.053 . A 30 GLU H H 1 8.244 . A 30 GLU HA H 1 4.799 . A 30 GLU HB2 H 1 2.341 . A 30 GLU HB3 H 1 2.341 . A 30 GLU HGy H 1 2.456 . A 30 GLU HGx H 1 1.804 . A 30 GLU C C 13 176.292 . A 30 GLU CA C 13 53.461 . A 30 GLU CB C 13 33.135 . A 30 GLU CG C 13 35.421 . A 30 GLU N N 15 119.234 . A 31 CYS H H 1 8.586 . A 31 CYS HA H 1 4.312 . A 31 CYS HBx H 1 3.028 . A 31 CYS HBy H 1 3.318 . A 31 CYS C C 13 175.519 . A 31 CYS CA C 13 61.544 . A 31 CYS CB C 13 28.588 . A 31 CYS N N 15 129.774 . A 32 GLU H H 1 8.756 . A 32 GLU HA H 1 4.089 . A 32 GLU HBx H 1 2.077 . A 32 GLU HBy H 1 2.086 . A 32 GLU HGx H 1 2.361 . A 32 GLU HGy H 1 2.419 . A 32 GLU C C 13 177.061 . A 32 GLU CA C 13 58.728 . A 32 GLU CB C 13 30.433 . A 32 GLU CG C 13 36.637 . A 32 GLU N N 15 126.867 . A 33 VAL H H 1 8.935 . A 33 VAL HA H 1 3.818 . A 33 VAL HB H 1 1.408 . A 33 VAL HGx% H 1 0.755 . A 33 VAL HGy% H 1 0.261 . A 33 VAL C C 13 176.434 . A 33 VAL CA C 13 64.132 . A 33 VAL CB C 13 33.744 . A 33 VAL CGy C 13 21.283 . A 33 VAL CGx C 13 20.108 . A 33 VAL N N 15 122.528 . A 34 HIS H H 1 8.834 . A 34 HIS HA H 1 4.575 . A 34 HIS HBy H 1 3.098 . A 34 HIS HBx H 1 3.027 . A 34 HIS HD2 H 1 7.191 . A 34 HIS HE1 H 1 7.870 . A 34 HIS C C 13 173.077 . A 34 HIS CA C 13 56.635 . A 34 HIS CB C 13 28.789 . A 34 HIS CD2 C 13 118.015 . A 34 HIS CE1 C 13 138.510 . A 34 HIS N N 15 126.015 . A 35 GLU H H 1 7.643 . A 35 GLU HA H 1 4.097 . A 35 GLU HBx H 1 1.926 . A 35 GLU HBy H 1 1.945 . A 35 GLU HGx H 1 2.228 . A 35 GLU HGy H 1 2.305 . A 35 GLU C C 13 178.839 . A 35 GLU CA C 13 58.068 . A 35 GLU CB C 13 29.733 . A 35 GLU CG C 13 35.987 . A 35 GLU N N 15 122.059 . A 36 GLY H H 1 10.615 . A 36 GLY HAx H 1 3.478 . A 36 GLY HAy H 1 4.116 . A 36 GLY C C 13 173.165 . A 36 GLY CA C 13 44.986 . A 36 GLY N N 15 114.969 . A 37 THR H H 1 7.669 . A 37 THR HA H 1 4.466 . A 37 THR HB H 1 4.463 . A 37 THR HG2% H 1 1.632 . A 37 THR C C 13 172.121 . A 37 THR CA C 13 62.490 . A 37 THR CB C 13 68.752 . A 37 THR CG2 C 13 23.606 . A 37 THR N N 15 116.476 . A 38 TYR H H 1 8.622 . A 38 TYR HA H 1 5.635 . A 38 TYR HBx H 1 2.830 . A 38 TYR HBy H 1 2.973 . A 38 TYR HDx H 1 6.919 . A 38 TYR HDy H 1 6.919 . A 38 TYR HEx H 1 6.591 . A 38 TYR HEy H 1 6.591 . A 38 TYR C C 13 174.538 . A 38 TYR CA C 13 56.001 . A 38 TYR CB C 13 42.611 . A 38 TYR CDx C 13 133.031 . A 38 TYR CDy C 13 133.031 . A 38 TYR CEx C 13 118.015 . A 38 TYR CEy C 13 118.015 . A 38 TYR N N 15 124.951 . A 39 PHE H H 1 8.483 . A 39 PHE HA H 1 5.084 . A 39 PHE HBx H 1 2.864 . A 39 PHE HBy H 1 2.875 . A 39 PHE HDx H 1 6.943 . A 39 PHE HDy H 1 6.943 . A 39 PHE HEx H 1 7.047 . A 39 PHE HEy H 1 7.047 . A 39 PHE C C 13 173.379 . A 39 PHE CA C 13 55.938 . A 39 PHE CB C 13 39.220 . A 39 PHE CDx C 13 133.030 . A 39 PHE CDy C 13 133.030 . A 39 PHE N N 15 115.194 . A 40 SER H H 1 9.519 . A 40 SER HA H 1 4.341 . A 40 SER HBx H 1 3.751 . A 40 SER HBy H 1 3.767 . A 40 SER C C 13 173.355 . A 40 SER CA C 13 60.726 . A 40 SER CB C 13 63.544 . A 40 SER N N 15 114.429 . A 41 ASP H H 1 8.431 . A 41 ASP HA H 1 4.913 . A 41 ASP HBx H 1 2.051 . A 41 ASP HBy H 1 2.760 . A 41 ASP C C 13 176.230 . A 41 ASP CA C 13 53.739 . A 41 ASP CB C 13 39.725 . A 41 ASP N N 15 125.551 . A 42 SER H H 1 9.001 . A 42 SER HA H 1 4.370 . A 42 SER HBx H 1 3.770 . A 42 SER HBy H 1 4.009 . A 42 SER C C 13 177.229 . A 42 SER CA C 13 59.770 . A 42 SER CB C 13 62.951 . A 42 SER N N 15 114.674 . A 43 GLY H H 1 8.261 . A 43 GLY HAy H 1 4.085 . A 43 GLY HAx H 1 3.804 . A 43 GLY C C 13 172.823 . A 43 GLY CA C 13 45.829 . A 43 GLY N N 15 109.923 . A 44 ASP H H 1 8.583 . A 44 ASP HA H 1 4.741 . A 44 ASP HBx H 1 2.369 . A 44 ASP HBy H 1 3.079 . A 44 ASP C C 13 176.327 . A 44 ASP CA C 13 53.309 . A 44 ASP CB C 13 40.067 . A 44 ASP N N 15 120.029 . A 45 ILE H H 1 8.589 . A 45 ILE HA H 1 3.691 . A 45 ILE HB H 1 1.887 . A 45 ILE HD1% H 1 0.950 . A 45 ILE HG1y H 1 1.781 . A 45 ILE HG1x H 1 1.768 . A 45 ILE HG2% H 1 1.080 . A 45 ILE C C 13 177.352 . A 45 ILE CA C 13 64.967 . A 45 ILE CB C 13 37.813 . A 45 ILE CD1 C 13 13.676 . A 45 ILE CG1 C 13 29.327 . A 45 ILE CG2 C 13 18.537 . A 45 ILE N N 15 129.584 . A 46 SER H H 1 8.275 . A 46 SER HA H 1 4.338 . A 46 SER HBx H 1 3.983 . A 46 SER HBy H 1 3.999 . A 46 SER C C 13 177.116 . A 46 SER CA C 13 61.744 . A 46 SER CB C 13 62.502 . A 46 SER N N 15 117.808 . A 47 GLU H H 1 7.372 . A 47 GLU HA H 1 4.042 . A 47 GLU HBy H 1 2.012 . A 47 GLU HBx H 1 1.976 . A 47 GLU HGx H 1 2.249 . A 47 GLU HGy H 1 2.353 . A 47 GLU C C 13 178.981 . A 47 GLU CA C 13 59.418 . A 47 GLU CB C 13 29.258 . A 47 GLU CG C 13 36.493 . A 47 GLU N N 15 121.839 . A 48 ALA H H 1 6.925 . A 48 ALA HA H 1 3.861 . A 48 ALA HB% H 1 1.440 . A 48 ALA C C 13 178.641 . A 48 ALA CA C 13 55.325 . A 48 ALA CB C 13 17.392 . A 48 ALA N N 15 122.935 . A 49 GLU H H 1 8.288 . A 49 GLU HA H 1 3.613 . A 49 GLU HBx H 1 2.049 . A 49 GLU HBy H 1 2.053 . A 49 GLU HGy H 1 2.291 . A 49 GLU HGx H 1 2.273 . A 49 GLU C C 13 177.879 . A 49 GLU CA C 13 60.322 . A 49 GLU CB C 13 28.868 . A 49 GLU CG C 13 36.488 . A 49 GLU N N 15 118.249 . A 50 GLU H H 1 8.108 . A 50 GLU HA H 1 3.922 . A 50 GLU HBx H 1 2.019 . A 50 GLU HBy H 1 2.045 . A 50 GLU HG3 H 1 2.316 . A 50 GLU C C 13 179.532 . A 50 GLU CA C 13 59.753 . A 50 GLU CB C 13 29.028 . A 50 GLU CG C 13 35.927 . A 50 GLU N N 15 117.450 . A 51 LEU H H 1 7.835 . A 51 LEU HA H 1 4.307 . A 51 LEU HBy H 1 1.696 . A 51 LEU HBx H 1 1.636 . A 51 LEU HD1% H 1 1.010 . A 51 LEU HG H 1 1.427 . A 51 LEU C C 13 178.285 . A 51 LEU CA C 13 57.438 . A 51 LEU CB C 13 40.766 . A 51 LEU CDx C 13 22.873 . A 51 LEU CDy C 13 26.270 . A 51 LEU CG C 13 27.533 . A 51 LEU N N 15 120.169 . A 52 ALA H H 1 8.286 . A 52 ALA HA H 1 3.795 . A 52 ALA HB% H 1 1.392 . A 52 ALA C C 13 178.611 . A 52 ALA CA C 13 55.647 . A 52 ALA CB C 13 18.176 . A 52 ALA N N 15 121.167 . A 53 ARG H H 1 7.957 . A 53 ARG HA H 1 3.727 . A 53 ARG HBy H 1 1.805 . A 53 ARG HBx H 1 1.791 . A 53 ARG HD2 H 1 3.079 . A 53 ARG HD3 H 1 3.079 . A 53 ARG HG2 H 1 1.376 . A 53 ARG HG3 H 1 1.376 . A 53 ARG C C 13 179.136 . A 53 ARG CA C 13 60.608 . A 53 ARG CB C 13 29.520 . A 53 ARG N N 15 115.092 . A 54 GLU H H 1 8.089 . A 54 GLU HA H 1 4.064 . A 54 GLU HBx H 1 2.191 . A 54 GLU HBy H 1 2.216 . A 54 GLU HGx H 1 2.124 . A 54 GLU HGy H 1 2.380 . A 54 GLU C C 13 179.159 . A 54 GLU CA C 13 59.418 . A 54 GLU CB C 13 29.888 . A 54 GLU CG C 13 36.015 . A 54 GLU N N 15 122.263 . A 55 LYS H H 1 9.118 . A 55 LYS HA H 1 3.810 . A 55 LYS HBy H 1 1.736 . A 55 LYS HBx H 1 1.607 . A 55 LYS HD2 H 1 1.328 . A 55 LYS HD3 H 1 1.328 . A 55 LYS HE2 H 1 2.949 . A 55 LYS HE3 H 1 2.949 . A 55 LYS HGy H 1 1.474 . A 55 LYS HGx H 1 1.465 . A 55 LYS C C 13 179.078 . A 55 LYS CA C 13 59.810 . A 55 LYS CB C 13 32.743 . A 55 LYS CD C 13 29.208 . A 55 LYS CE C 13 41.100 . A 55 LYS CG C 13 25.599 . A 55 LYS N N 15 118.511 . A 56 PHE H H 1 8.456 . A 56 PHE HA H 1 3.862 . A 56 PHE HBy H 1 3.255 . A 56 PHE HBx H 1 2.971 . A 56 PHE HDx H 1 6.996 . A 56 PHE HDy H 1 6.996 . A 56 PHE HEx H 1 7.372 . A 56 PHE HEy H 1 7.372 . A 56 PHE CDx C 13 130.937 . A 56 PHE CDy C 13 130.937 . A 56 PHE N N 15 119.918 . A 57 GLU H H 1 8.153 . A 57 GLU HA H 1 4.128 . A 57 GLU HBx H 1 2.261 . A 57 GLU HBy H 1 2.281 . A 57 GLU HGy H 1 2.460 . A 57 GLU HGx H 1 2.453 . A 57 GLU C C 13 177.889 . A 57 GLU CA C 13 59.238 . A 57 GLU CB C 13 29.483 . A 57 GLU CG C 13 35.687 . A 57 GLU N N 15 121.819 . A 58 LYS H H 1 7.684 . A 58 LYS HA H 1 4.267 . A 58 LYS HBx H 1 1.729 . A 58 LYS HBy H 1 2.026 . A 58 LYS HDx H 1 1.499 . A 58 LYS HDy H 1 1.506 . A 58 LYS HE3 H 1 2.916 . A 58 LYS HG2 H 1 1.621 . A 58 LYS HG3 H 1 1.621 . A 58 LYS C C 13 176.710 . A 58 LYS CA C 13 56.742 . A 58 LYS CB C 13 33.027 . A 58 LYS N N 15 115.784 . A 59 GLY H H 1 7.644 . A 59 GLY HAx H 1 3.942 . A 59 GLY HAy H 1 4.065 . A 59 GLY C C 13 175.969 . A 59 GLY CA C 13 46.330 . A 59 GLY N N 15 110.421 . A 60 GLU H H 1 8.008 . A 60 GLU HA H 1 4.339 . A 60 GLU HBy H 1 2.318 . A 60 GLU HBx H 1 1.668 . A 60 GLU HGy H 1 2.150 . A 60 GLU HGx H 1 2.103 . A 60 GLU C C 13 175.359 . A 60 GLU CA C 13 55.533 . A 60 GLU CB C 13 30.356 . A 60 GLU CG C 13 36.097 . A 60 GLU N N 15 117.714 . A 61 VAL H H 1 7.745 . A 61 VAL HA H 1 4.522 . A 61 VAL HB H 1 2.164 . A 61 VAL HGx% H 1 0.892 . A 61 VAL HGy% H 1 1.317 . A 61 VAL C C 13 176.175 . A 61 VAL CA C 13 61.267 . A 61 VAL CB C 13 33.686 . A 61 VAL CG2 C 13 23.457 . A 61 VAL N N 15 120.144 . A 62 SER H H 1 11.396 . A 62 SER HA H 1 4.644 . A 62 SER HBy H 1 3.788 . A 62 SER HBx H 1 3.756 . A 62 SER C C 13 176.781 . A 62 SER CA C 13 60.796 . A 62 SER CB C 13 65.061 . A 62 SER N N 15 126.283 . A 63 ASN H H 1 10.333 . A 63 ASN HA H 1 4.732 . A 63 ASN HBx H 1 2.138 . A 63 ASN HBy H 1 2.525 . A 63 ASN HD21 H 1 7.193 . A 63 ASN HD22 H 1 7.376 . A 63 ASN C C 13 172.632 . A 63 ASN CA C 13 54.586 . A 63 ASN CB C 13 39.772 . A 63 ASN N N 15 118.526 . A 63 ASN ND2 N 15 118.145 . A 64 PHE H H 1 6.971 . A 64 PHE HA H 1 4.866 . A 64 PHE HBx H 1 2.687 . A 64 PHE HBy H 1 3.039 . A 64 PHE HDx H 1 7.164 . A 64 PHE HDy H 1 7.164 . A 64 PHE HEx H 1 7.063 . A 64 PHE HEy H 1 7.063 . A 64 PHE C C 13 174.310 . A 64 PHE CA C 13 56.626 . A 64 PHE CB C 13 42.883 . A 64 PHE N N 15 112.992 . A 65 ASP HA H 1 4.888 . A 65 ASP HBx H 1 2.705 . A 65 ASP HBy H 1 2.866 . A 65 ASP C C 13 175.049 . A 65 ASP CA C 13 53.647 . A 65 ASP CB C 13 41.367 . A 66 ASP H H 1 7.413 . A 66 ASP HA H 1 4.861 . A 66 ASP HBx H 1 2.632 . A 66 ASP HBy H 1 2.850 . A 66 ASP C C 13 175.858 . A 66 ASP CA C 13 52.663 . A 66 ASP CB C 13 44.261 . A 66 ASP N N 15 119.568 . A 67 VAL H H 1 8.298 . A 67 VAL HA H 1 2.982 . A 67 VAL HB H 1 0.602 . A 67 VAL HGx% H 1 0.724 . A 67 VAL HGy% H 1 0.727 . A 67 VAL C C 13 175.173 . A 67 VAL CA C 13 64.211 . A 67 VAL CB C 13 30.848 . A 67 VAL CGx C 13 19.256 . A 67 VAL CGy C 13 23.433 . A 67 VAL N N 15 127.826 . A 68 GLU H H 1 7.909 . A 68 GLU HA H 1 4.049 . A 68 GLU HBy H 1 1.999 . A 68 GLU HBx H 1 1.988 . A 68 GLU HGx H 1 2.234 . A 68 GLU HGy H 1 2.444 . A 68 GLU C C 13 180.052 . A 68 GLU CA C 13 57.858 . A 68 GLU CB C 13 27.404 . A 68 GLU CG C 13 35.441 . A 68 GLU N N 15 120.580 . A 69 GLU H H 1 7.669 . A 69 GLU HA H 1 3.932 . A 69 GLU HBy H 1 2.419 . A 69 GLU HBx H 1 2.238 . A 69 GLU HGx H 1 2.344 . A 69 GLU HGy H 1 2.590 . A 69 GLU C C 13 179.095 . A 69 GLU CA C 13 58.987 . A 69 GLU CB C 13 29.520 . A 69 GLU CG C 13 36.015 . A 69 GLU N N 15 121.347 . A 70 LEU H H 1 7.184 . A 70 LEU HA H 1 2.945 . A 70 LEU HBx H 1 0.569 . A 70 LEU HBy H 1 1.812 . A 70 LEU HDx% H 1 0.127 . A 70 LEU HDy% H 1 0.077 . A 70 LEU C C 13 177.014 . A 70 LEU CA C 13 57.479 . A 70 LEU CB C 13 40.244 . A 70 LEU CDy C 13 26.760 . A 70 LEU CDx C 13 21.865 . A 70 LEU CG C 13 29.327 . A 70 LEU N N 15 120.330 . A 71 VAL H H 1 8.262 . A 71 VAL HA H 1 3.070 . A 71 VAL HB H 1 2.011 . A 71 VAL HGx% H 1 0.842 . A 71 VAL HGy% H 1 0.926 . A 71 VAL C C 13 177.049 . A 71 VAL CA C 13 67.888 . A 71 VAL CB C 13 31.395 . A 71 VAL CGx C 13 21.553 . A 71 VAL CGy C 13 23.976 . A 71 VAL N N 15 118.625 . A 72 LYS H H 1 7.791 . A 72 LYS HA H 1 3.837 . A 72 LYS HBy H 1 1.833 . A 72 LYS HBx H 1 1.821 . A 72 LYS HDy H 1 1.417 . A 72 LYS HDx H 1 1.409 . A 72 LYS HE2 H 1 2.941 . A 72 LYS HE3 H 1 2.941 . A 72 LYS HGy H 1 1.621 . A 72 LYS HGx H 1 1.611 . A 72 LYS C C 13 179.439 . A 72 LYS CA C 13 59.954 . A 72 LYS CB C 13 32.619 . A 72 LYS CD C 13 29.309 . A 72 LYS CE C 13 42.068 . A 72 LYS CG C 13 26.253 . A 72 LYS N N 15 116.770 . A 73 LYS H H 1 7.796 . A 73 LYS HA H 1 4.216 . A 73 LYS HBx H 1 1.991 . A 73 LYS HBy H 1 2.121 . A 73 LYS HDx H 1 1.531 . A 73 LYS HDy H 1 1.559 . A 73 LYS HGx H 1 1.786 . A 73 LYS HGy H 1 1.822 . A 73 LYS C C 13 177.539 . A 73 LYS CA C 13 57.324 . A 73 LYS CB C 13 31.906 . A 73 LYS CD C 13 28.949 . A 73 LYS CG C 13 24.581 . A 73 LYS N N 15 121.221 . A 74 VAL H H 1 8.445 . A 74 VAL HA H 1 3.415 . A 74 VAL HB H 1 2.099 . A 74 VAL HGx% H 1 0.700 . A 74 VAL HGy% H 1 0.868 . A 74 VAL C C 13 177.638 . A 74 VAL CA C 13 66.863 . A 74 VAL CGx C 13 22.517 . A 74 VAL CGy C 13 23.477 . A 74 VAL N N 15 119.691 . A 75 VAL H H 1 8.521 . A 75 VAL HA H 1 3.352 . A 75 VAL HB H 1 1.981 . A 75 VAL HGx% H 1 0.865 . A 75 VAL HGy% H 1 0.936 . A 75 VAL C C 13 177.621 . A 75 VAL CA C 13 67.759 . A 75 VAL CB C 13 29.156 . A 75 VAL CGx C 13 20.989 . A 75 VAL CGy C 13 21.880 . A 75 VAL N N 15 120.095 . A 76 ALA H H 1 7.839 . A 76 ALA HA H 1 4.191 . A 76 ALA HB% H 1 1.580 . A 76 ALA C C 13 181.968 . A 76 ALA CA C 13 55.481 . A 76 ALA CB C 13 18.395 . A 76 ALA N N 15 120.276 . A 77 VAL H H 1 8.662 . A 77 VAL HA H 1 4.018 . A 77 VAL HB H 1 1.900 . A 77 VAL HGx% H 1 0.570 . A 77 VAL HGy% H 1 0.855 . A 77 VAL C C 13 178.133 . A 77 VAL CA C 13 65.530 . A 77 VAL CB C 13 30.943 . A 77 VAL CGy C 13 21.152 . A 77 VAL CGx C 13 19.517 . A 77 VAL N N 15 114.746 . A 78 CYS H H 1 7.740 . A 78 CYS HA H 1 3.991 . A 78 CYS HBx H 1 2.430 . A 78 CYS HBy H 1 3.126 . A 78 CYS C C 13 177.621 . A 78 CYS CA C 13 64.776 . A 78 CYS CB C 13 27.340 . A 78 CYS N N 15 119.096 . A 79 GLU H H 1 8.106 . A 79 GLU HA H 1 4.036 . A 79 GLU HBy H 1 2.171 . A 79 GLU HBx H 1 2.010 . A 79 GLU HGx H 1 2.085 . A 79 GLU HGy H 1 2.527 . A 79 GLU C C 13 179.135 . A 79 GLU CA C 13 58.900 . A 79 GLU CB C 13 29.710 . A 79 GLU N N 15 118.797 . A 80 GLU H H 1 8.167 . A 80 GLU HA H 1 3.621 . A 80 GLU HB2 H 1 2.056 . A 80 GLU HB3 H 1 2.056 . A 80 GLU C C 13 177.433 . A 80 GLU CA C 13 58.711 . A 80 GLU CB C 13 30.658 . A 80 GLU N N 15 119.483 . A 81 LEU H H 1 8.145 . A 81 LEU HA H 1 4.652 . A 81 LEU HBx H 1 1.564 . A 81 LEU HBy H 1 1.783 . A 81 LEU HDx% H 1 0.661 . A 81 LEU HDy% H 1 0.974 . A 81 LEU HG H 1 1.805 . A 81 LEU C C 13 177.355 . A 81 LEU CA C 13 54.409 . A 81 LEU CB C 13 41.453 . A 81 LEU CDy C 13 26.435 . A 81 LEU CDx C 13 22.241 . A 81 LEU CG C 13 26.935 . A 81 LEU N N 15 117.475 . A 82 GLY H H 1 7.218 . A 82 GLY HAx H 1 3.612 . A 82 GLY HAy H 1 4.035 . A 82 GLY C C 13 175.024 . A 82 GLY CA C 13 47.639 . A 82 GLY N N 15 112.498 . A 83 ALA H H 1 8.202 . A 83 ALA HA H 1 4.501 . A 83 ALA HB% H 1 1.748 . A 83 ALA C C 13 177.567 . A 83 ALA CA C 13 52.104 . A 83 ALA CB C 13 20.574 . A 83 ALA N N 15 126.068 . A 84 GLU H H 1 9.004 . A 84 GLU HA H 1 4.252 . A 84 GLU HBy H 1 2.193 . A 84 GLU HBx H 1 2.061 . A 84 GLU HG3 H 1 2.370 . A 84 GLU C C 13 175.915 . A 84 GLU CA C 13 58.671 . A 84 GLU CB C 13 30.666 . A 84 GLU CG C 13 36.731 . A 84 GLU N N 15 118.661 . A 85 GLU H H 1 7.318 . A 85 GLU HA H 1 3.881 . A 85 GLU HGy H 1 1.939 . A 85 GLU HGx H 1 1.595 . A 85 GLU C C 13 173.815 . A 85 GLU CA C 13 53.657 . A 85 GLU CB C 13 32.364 . A 85 GLU CG C 13 34.211 . A 85 GLU N N 15 111.162 . A 86 CYS H H 1 8.035 . A 86 CYS HA H 1 4.078 . A 86 CYS HBx H 1 2.644 . A 86 CYS HBy H 1 2.783 . A 86 CYS C C 13 177.088 . A 86 CYS CA C 13 59.470 . A 86 CYS CB C 13 29.441 . A 86 CYS N N 15 122.106 . A 87 PHE H H 1 8.292 . A 87 PHE HA H 1 4.492 . A 87 PHE HBy H 1 3.218 . A 87 PHE HBx H 1 3.184 . A 87 PHE HDx H 1 6.961 . A 87 PHE HDy H 1 6.961 . A 87 PHE HEx H 1 7.286 . A 87 PHE HEy H 1 7.286 . A 87 PHE C C 13 176.921 . A 87 PHE CA C 13 59.597 . A 87 PHE CB C 13 38.939 . A 87 PHE CDx C 13 132.965 . A 87 PHE CDy C 13 132.965 . A 87 PHE CEx C 13 131.496 . A 87 PHE CEy C 13 131.496 . A 87 PHE N N 15 129.406 . A 88 SER H H 1 8.436 . A 88 SER HA H 1 4.131 . A 88 SER HBx H 1 2.430 . A 88 SER HBy H 1 2.651 . A 88 SER C C 13 174.940 . A 88 SER CA C 13 60.832 . A 88 SER CB C 13 62.143 . A 88 SER N N 15 118.356 . A 89 CYS H H 1 7.699 . A 89 CYS HA H 1 4.113 . A 89 CYS HBx H 1 2.725 . A 89 CYS HBy H 1 2.783 . A 89 CYS C C 13 174.660 . A 89 CYS CA C 13 63.763 . A 89 CYS CB C 13 30.435 . A 89 CYS N N 15 125.476 . A 90 ASP H H 1 7.569 . A 90 ASP HA H 1 4.517 . A 90 ASP HBx H 1 2.957 . A 90 ASP HBy H 1 2.990 . A 90 ASP C C 13 175.429 . A 90 ASP CA C 13 54.042 . A 90 ASP CB C 13 42.007 . A 90 ASP N N 15 119.756 . A 91 PHE H H 1 7.910 . A 91 PHE HA H 1 4.629 . A 91 PHE HBx H 1 2.934 . A 91 PHE HBy H 1 3.234 . A 91 PHE HDx H 1 7.230 . A 91 PHE HDy H 1 7.230 . A 91 PHE HEx H 1 7.073 . A 91 PHE HEy H 1 7.073 . A 91 PHE C C 13 174.893 . A 91 PHE CA C 13 57.260 . A 91 PHE CB C 13 39.545 . A 91 PHE CDx C 13 131.637 . A 91 PHE CDy C 13 131.637 . A 91 PHE CEx C 13 133.133 . A 91 PHE CEy C 13 133.133 . A 91 PHE N N 15 120.531 . A 92 ASP H H 1 7.971 . A 92 ASP C C 13 180.884 . A 92 ASP CA C 13 56.061 . A 92 ASP CB C 13 42.168 . A 92 ASP N N 15 126.836 . 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 47 GLU H A 45 ILE HA 1.0 . 5.5 2 2 A 77 VAL H A 77 VAL HGy% 1.0 . 4.0 3 3 A 29 ALA H A 28 LEU HG 1.0 . 4.8 4 4 A 68 GLU H A 67 VAL H 1.0 . 4.1 5 5 A 87 PHE H A 86 CYS HBx 1.0 . 5.5 6 5 A 87 PHE H A 86 CYS HBy 1.0 . 5.5 7 6 A 77 VAL HGy% A 78 CYS H 1.0 . 4.3 8 7 A 51 LEU H A 48 ALA HA 1.0 . 4.1 9 8 A 69 GLU H A 69 GLU HBy 1.0 . 3.6 10 8 A 69 GLU H A 69 GLU HBx 1.0 . 3.6 11 9 A 42 SER H A 41 ASP HBx 1.0 . 4.1 12 9 A 42 SER H A 41 ASP HBy 1.0 . 4.1 13 10 A 41 ASP H A 28 LEU HDy% 1.0 . 4.6 14 11 A 72 LYS H A 71 VAL HA 1.0 . 4.8 15 12 A 44 ASP H A 44 ASP HBx 1.0 . 4.0 16 12 A 44 ASP H A 44 ASP HBy 1.0 . 4.0 17 13 A 46 SER H A 46 SER HBx 1.0 . 3.5 18 13 A 46 SER H A 46 SER HBy 1.0 . 3.5 19 14 A 56 PHE H A 55 LYS H 1.0 . 4.1 20 15 A 39 PHE H A 29 ALA HA 1.0 . 5.5 21 16 A 71 VAL HA A 71 VAL H 1.0 . 4.0 22 17 A 27 THR H A 27 THR HB 1.0 . 3.6 23 18 A 48 ALA H A 47 GLU HA 1.0 . 4.7 24 19 A 24 GLU H A 21 ILE HG2% 1.0 . 5.4 25 20 A 51 LEU H A 52 ALA H 1.0 . 3.7 26 21 A 55 LYS H A 54 GLU H 1.0 . 4.1 27 22 A 54 GLU H A 54 GLU HBx 1.0 . 3.2 28 22 A 54 GLU H A 54 GLU HBy 1.0 . 3.2 29 23 A 20 TYR H A 20 TYR HBx 1.0 . 3.8 30 23 A 20 TYR H A 20 TYR HBy 1.0 . 3.8 31 24 A 47 GLU H A 46 SER H 1.0 . 3.8 32 25 A 31 CYS H A 30 GLU HA 1.0 . 4.2 33 26 A 23 ILE H A 23 ILE HG2% 1.0 . 4.4 34 27 A 33 VAL H A 32 GLU HA 1.0 . 4.9 35 28 A 64 PHE H A 61 VAL HGx% 1.0 . 5.5 36 29 A 34 HIS H A 35 GLU H 1.0 . 5.5 37 30 A 58 LYS H A 55 LYS HA 1.0 . 4.4 38 31 A 86 CYS H A 85 GLU H 1.0 . 5.5 39 32 A 47 GLU H A 46 SER H 1.0 . 4.0 40 33 A 31 CYS H A 39 PHE HD% 1.0 . 4.9 41 34 A 81 LEU H A 82 GLY H 1.0 . 5.0 42 35 A 56 PHE H A 56 PHE HBy 1.0 . 3.7 43 35 A 56 PHE H A 56 PHE HBx 1.0 . 3.7 44 36 A 29 ALA H A 38 TYR HA 1.0 . 5.5 45 37 A 88 SER H A 37 THR HG2% 1.0 . 4.4 46 38 A 23 ILE H A 22 ALA HB% 1.0 . 4.1 47 39 A 71 VAL H A 70 LEU H 1.0 . 4.2 48 40 A 60 GLU H A 60 GLU HBy 1.0 . 3.8 49 40 A 60 GLU H A 60 GLU HBx 1.0 . 3.8 50 41 A 63 ASN HD22 A 63 ASN HD21 1.0 . 3.6 51 42 A 53 ARG H A 56 PHE HBy 1.0 . 5.3 52 42 A 56 PHE HBx A 53 ARG H 1.0 . 5.3 53 43 A 20 TYR H A 20 TYR HD% 1.0 . 4.7 54 44 A 32 GLU H A 32 GLU HBx 1.0 . 3.7 55 44 A 32 GLU H A 32 GLU HBy 1.0 . 3.7 56 45 A 79 GLU H A 78 CYS HBx 1.0 . 4.4 57 45 A 79 GLU H A 78 CYS HBy 1.0 . 4.4 58 46 A 71 VAL H A 73 LYS H 1.0 . 5.5 59 47 A 37 THR H A 36 GLY H 1.0 . 4.1 60 48 A 73 LYS H A 73 LYS HGx 1.0 . 3.8 61 48 A 73 LYS H A 73 LYS HGy 1.0 . 3.8 62 49 A 50 GLU H A 50 GLU HA 1.0 . 3.7 63 50 A 87 PHE H A 86 CYS HBx 1.0 . 5.0 64 50 A 87 PHE H A 86 CYS HBy 1.0 . 5.0 65 51 A 85 GLU H A 40 SER H 1.0 . 5.5 66 52 A 42 SER H A 41 ASP H 1.0 . 5.0 67 53 A 79 GLU H A 76 ALA HA 1.0 . 4.6 68 54 A 85 GLU H A 83 ALA HA 1.0 . 5.0 69 55 A 30 GLU H A 30 GLU HB2 1.0 . 5.2 70 55 A 30 GLU H A 30 GLU HB3 1.0 . 5.2 71 56 A 79 GLU H A 79 GLU HBy 1.0 . 4.0 72 56 A 79 GLU H A 79 GLU HBx 1.0 . 4.0 73 57 A 31 CYS H A 30 GLU HB2 1.0 . 4.7 74 57 A 31 CYS H A 30 GLU HB3 1.0 . 4.7 75 58 A 33 VAL H A 31 CYS HBx 1.0 . 4.9 76 58 A 33 VAL H A 31 CYS HBy 1.0 . 4.9 77 59 A 53 ARG H A 53 ARG HA 1.0 . 4.0 78 60 A 58 LYS H A 58 LYS HBx 1.0 . 3.5 79 60 A 58 LYS H A 58 LYS HBy 1.0 . 3.5 80 61 A 58 LYS H A 58 LYS HA 1.0 . 4.0 81 62 A 75 VAL H A 75 VAL HB 1.0 . 3.6 82 63 A 56 PHE H A 56 PHE HBy 1.0 . 3.6 83 63 A 56 PHE H A 56 PHE HBx 1.0 . 3.6 84 64 A 74 VAL H A 74 VAL HGx% 1.0 . 4.1 85 65 A 63 ASN HD21 A 63 ASN H 1.0 . 4.3 86 66 A 52 ALA H A 53 ARG H 1.0 . 4.2 87 67 A 33 VAL H A 31 CYS HA 1.0 . 5.4 88 68 A 51 LEU H A 51 LEU HA 1.0 . 3.8 89 69 A 88 SER H A 88 SER HBx 1.0 . 4.2 90 69 A 88 SER H A 88 SER HBy 1.0 . 4.2 91 70 A 86 CYS H A 85 GLU HA 1.0 . 3.8 92 71 A 63 ASN H A 63 ASN HA 1.0 . 4.6 93 72 A 52 ALA H A 52 ALA HB% 1.0 . 3.4 94 73 A 58 LYS H A 58 LYS HBx 1.0 . 4.1 95 73 A 58 LYS H A 58 LYS HBy 1.0 . 4.1 96 74 A 63 ASN HD22 A 63 ASN H 1.0 . 5.4 97 75 A 54 GLU H A 52 ALA HB% 1.0 . 4.6 98 76 A 71 VAL H A 70 LEU HA 1.0 . 4.6 99 77 A 27 THR H A 27 THR HA 1.0 . 4.2 100 78 A 61 VAL H A 60 GLU HA 1.0 . 4.2 101 79 A 87 PHE H A 87 PHE HBy 1.0 . 3.8 102 79 A 87 PHE H A 87 PHE HBx 1.0 . 3.8 103 80 A 70 LEU H A 70 LEU HBx 1.0 . 4.0 104 80 A 70 LEU H A 70 LEU HBy 1.0 . 4.0 105 81 A 73 LYS H A 74 VAL H 1.0 . 4.0 106 82 A 60 GLU H A 60 GLU HBy 1.0 . 4.2 107 82 A 60 GLU H A 60 GLU HBx 1.0 . 4.2 108 83 A 86 CYS H A 86 CYS HBx 1.0 . 4.0 109 83 A 86 CYS HBy A 86 CYS H 1.0 . 4.0 110 84 A 79 GLU H A 79 GLU HBy 1.0 . 3.6 111 84 A 79 GLU H A 79 GLU HBx 1.0 . 3.6 112 85 A 47 GLU H A 47 GLU HBy 1.0 . 3.5 113 85 A 47 GLU H A 47 GLU HBx 1.0 . 3.5 114 86 A 85 GLU H A 39 PHE HBx 1.0 . 4.6 115 86 A 85 GLU H A 39 PHE HBy 1.0 . 4.6 116 87 A 55 LYS H A 56 PHE HBy 1.0 . 5.5 117 87 A 55 LYS H A 56 PHE HBx 1.0 . 5.5 118 88 A 34 HIS H A 33 VAL HGy% 1.0 . 5.0 119 89 A 48 ALA H A 49 GLU H 1.0 . 4.0 120 90 A 39 PHE H A 38 TYR HBx 1.0 . 4.1 121 90 A 39 PHE H A 38 TYR HBy 1.0 . 4.1 122 91 A 30 GLU H A 30 GLU HB2 1.0 . 3.6 123 91 A 30 GLU H A 30 GLU HB3 1.0 . 3.6 124 92 A 43 GLY H A 43 GLY HAy 1.0 . 3.8 125 92 A 43 GLY H A 43 GLY HAx 1.0 . 3.8 126 93 A 25 ALA H A 25 ALA HB% 1.0 . 3.6 127 94 A 67 VAL H A 66 ASP H 1.0 . 5.5 128 95 A 73 LYS H A 73 LYS HDx 1.0 . 4.3 129 95 A 73 LYS H A 73 LYS HDy 1.0 . 4.3 130 96 A 85 GLU H A 84 GLU HBy 1.0 . 4.3 131 96 A 85 GLU H A 84 GLU HBx 1.0 . 4.3 132 97 A 29 ALA H A 29 ALA HB% 1.0 . 3.8 133 98 A 35 GLU H A 36 GLY H 1.0 . 5.5 134 99 A 26 GLY H A 26 GLY HAy 1.0 . 3.6 135 99 A 26 GLY H A 26 GLY HAx 1.0 . 3.6 136 100 A 28 LEU H A 28 LEU HDx% 1.0 . 4.7 137 101 A 21 ILE H A 20 TYR HBx 1.0 . 4.6 138 101 A 20 TYR HBy A 21 ILE H 1.0 . 4.6 139 102 A 68 GLU H A 70 LEU H 1.0 . 5.4 140 103 A 56 PHE H A 55 LYS HBy 1.0 . 4.1 141 103 A 56 PHE H A 55 LYS HBx 1.0 . 4.1 142 104 A 57 GLU H A 56 PHE HBy 1.0 . 4.3 143 104 A 56 PHE HBx A 57 GLU H 1.0 . 4.3 144 105 A 73 LYS H A 70 LEU HA 1.0 . 4.8 145 106 A 83 ALA HA A 84 GLU H 1.0 . 3.7 146 107 A 29 ALA H A 28 LEU H 1.0 . 5.5 147 108 A 82 GLY H A 81 LEU HA 1.0 . 4.7 148 109 A 58 LYS HA A 59 GLY H 1.0 . 4.6 149 110 A 37 THR H A 37 THR HB 1.0 . 3.7 150 111 A 74 VAL H A 72 LYS HA 1.0 . 4.0 151 112 A 27 THR HB A 28 LEU H 1.0 . 4.0 152 113 A 78 CYS H A 76 ALA HA 1.0 . 5.5 153 114 A 36 GLY H A 35 GLU HBx 1.0 . 5.2 154 114 A 36 GLY H A 35 GLU HBy 1.0 . 5.2 155 115 A 38 TYR H A 38 TYR HBx 1.0 . 4.3 156 115 A 38 TYR HBy A 38 TYR H 1.0 . 4.3 157 116 A 78 CYS H A 77 VAL HGx% 1.0 . 3.8 158 117 A 83 ALA HA A 83 ALA H 1.0 . 4.0 159 118 A 61 VAL H A 60 GLU HBy 1.0 . 4.7 160 118 A 60 GLU HBx A 61 VAL H 1.0 . 4.7 161 119 A 48 ALA H A 50 GLU H 1.0 . 5.5 162 120 A 79 GLU H A 76 ALA HB% 1.0 . 5.5 163 121 A 76 ALA HB% A 76 ALA H 1.0 . 3.1 164 122 A 87 PHE H A 88 SER H 1.0 . 4.6 165 123 A 41 ASP H A 40 SER HBx 1.0 . 4.7 166 123 A 41 ASP H A 40 SER HBy 1.0 . 4.7 167 124 A 53 ARG H A 50 GLU HA 1.0 . 4.7 168 125 A 44 ASP H A 43 GLY HAy 1.0 . 4.6 169 125 A 44 ASP H A 43 GLY HAx 1.0 . 4.6 170 126 A 48 ALA H A 50 GLU H 1.0 . 5.3 171 127 A 70 LEU H A 69 GLU HA 1.0 . 4.8 172 128 A 29 ALA H A 30 GLU H 1.0 . 5.5 173 129 A 85 GLU H A 39 PHE HD% 1.0 . 5.5 174 130 A 86 CYS H A 85 GLU H 1.0 . 5.5 175 131 A 72 LYS H A 72 LYS HA 1.0 . 3.8 176 132 A 67 VAL H A 67 VAL HA 1.0 . 4.0 177 133 A 48 ALA H A 47 GLU HBy 1.0 . 5.5 178 133 A 48 ALA H A 47 GLU HBx 1.0 . 5.5 179 134 A 20 TYR H A 19 VAL HB 1.0 . 4.0 180 135 A 34 HIS H A 34 HIS HA 1.0 . 4.7 181 136 A 72 LYS H A 71 VAL H 1.0 . 4.1 182 137 A 21 ILE H A 21 ILE HA 1.0 . 4.3 183 138 A 24 GLU H A 22 ALA H 1.0 . 5.4 184 139 A 34 HIS H A 37 THR HB 1.0 . 5.5 185 140 A 60 GLU H A 60 GLU HBy 1.0 . 3.6 186 140 A 60 GLU H A 60 GLU HBx 1.0 . 3.6 187 141 A 29 ALA H A 29 ALA HA 1.0 . 4.2 188 142 A 29 ALA H A 41 ASP HBx 1.0 . 5.5 189 142 A 29 ALA H A 41 ASP HBy 1.0 . 5.5 190 143 A 88 SER H A 88 SER HBx 1.0 . 4.1 191 143 A 88 SER H A 88 SER HBy 1.0 . 4.1 192 144 A 77 VAL H A 76 ALA HB% 1.0 . 3.8 193 145 A 68 GLU H A 68 GLU HBy 1.0 . 3.7 194 145 A 68 GLU H A 68 GLU HBx 1.0 . 3.7 195 146 A 64 PHE H A 64 PHE HD% 1.0 . 4.2 196 147 A 37 THR H A 38 TYR H 1.0 . 5.0 197 148 A 22 ALA H A 56 PHE HBy 1.0 . 5.5 198 148 A 56 PHE HBx A 22 ALA H 1.0 . 5.5 199 149 A 20 TYR H A 19 VAL HB 1.0 . 3.8 200 150 A 50 GLU H A 50 GLU HBx 1.0 . 4.0 201 150 A 50 GLU H A 50 GLU HBy 1.0 . 4.0 202 151 A 33 VAL H A 32 GLU HBx 1.0 . 4.7 203 151 A 33 VAL H A 32 GLU HBy 1.0 . 4.7 204 152 A 54 GLU H A 53 ARG H 1.0 . 4.1 205 153 A 30 GLU H A 38 TYR HD% 1.0 . 5.4 206 154 A 88 SER H A 89 CYS H 1.0 . 3.7 207 155 A 60 GLU H A 60 GLU HA 1.0 . 4.3 208 156 A 78 CYS H A 79 GLU H 1.0 . 4.2 209 157 A 55 LYS H A 55 LYS HGy 1.0 . 4.3 210 157 A 55 LYS H A 55 LYS HGx 1.0 . 4.3 211 158 A 23 ILE H A 74 VAL HGx% 1.0 . 4.2 212 159 A 83 ALA H A 83 ALA HB% 1.0 . 3.4 213 160 A 21 ILE H A 22 ALA H 1.0 . 3.8 214 161 A 67 VAL H A 69 GLU H 1.0 . 5.5 215 162 A 40 SER H A 83 ALA HB% 1.0 . 5.0 216 163 A 57 GLU H A 54 GLU HA 1.0 . 4.0 217 164 A 45 ILE H A 45 ILE HB 1.0 . 3.6 218 165 A 51 LEU H A 50 GLU HBx 1.0 . 3.4 219 165 A 51 LEU H A 50 GLU HBy 1.0 . 3.4 220 166 A 77 VAL HGy% A 20 TYR H 1.0 . 5.4 221 167 A 63 ASN HD22 A 63 ASN H 1.0 . 4.3 222 168 A 47 GLU H A 44 ASP HBx 1.0 . 5.0 223 168 A 47 GLU H A 44 ASP HBy 1.0 . 5.0 224 169 A 77 VAL H A 76 ALA HA 1.0 . 4.7 225 170 A 36 GLY H A 38 TYR HE% 1.0 . 5.5 226 171 A 72 LYS H A 71 VAL HB 1.0 . 3.7 227 172 A 71 VAL HA A 73 LYS H 1.0 . 5.4 228 173 A 24 GLU H A 24 GLU HA 1.0 . 4.0 229 174 A 36 GLY H A 35 GLU HA 1.0 . 3.4 230 175 A 29 ALA H A 39 PHE H 1.0 . 4.2 231 176 A 50 GLU H A 46 SER HA 1.0 . 5.0 232 177 A 49 GLU H A 48 ALA HB% 1.0 . 3.7 233 178 A 37 THR H A 36 GLY HAx 1.0 . 4.2 234 178 A 37 THR H A 36 GLY HAy 1.0 . 4.2 235 179 A 37 THR H A 36 GLY HAx 1.0 . 4.7 236 179 A 37 THR H A 36 GLY HAy 1.0 . 4.7 237 180 A 55 LYS H A 54 GLU H 1.0 . 4.0 238 181 A 73 LYS H A 70 LEU HDy% 1.0 . 5.5 239 182 A 83 ALA H A 82 GLY HAx 1.0 . 4.0 240 182 A 83 ALA H A 82 GLY HAy 1.0 . 4.0 241 183 A 61 VAL H A 61 VAL HB 1.0 . 3.6 242 184 A 47 GLU H A 45 ILE HG2% 1.0 . 5.5 243 185 A 37 THR H A 38 TYR H 1.0 . 5.5 244 186 A 80 GLU H A 79 GLU HBy 1.0 . 3.2 245 186 A 79 GLU HBx A 80 GLU H 1.0 . 3.2 246 187 A 69 GLU H A 68 GLU HBy 1.0 . 4.0 247 187 A 69 GLU H A 68 GLU HBx 1.0 . 4.0 248 188 A 23 ILE H A 74 VAL HGy% 1.0 . 4.3 249 189 A 63 ASN H A 61 VAL HB 1.0 . 5.5 250 190 A 57 GLU H A 56 PHE HD% 1.0 . 4.7 251 191 A 83 ALA H A 39 PHE HA 1.0 . 5.3 252 192 A 82 GLY H A 82 GLY HAx 1.0 . 3.6 253 192 A 82 GLY H A 82 GLY HAy 1.0 . 3.6 254 193 A 54 GLU H A 51 LEU HA 1.0 . 4.4 255 194 A 42 SER H A 42 SER HBx 1.0 . 5.5 256 194 A 42 SER H A 42 SER HBy 1.0 . 5.5 257 195 A 78 CYS H A 77 VAL HB 1.0 . 4.8 258 196 A 79 GLU H A 75 VAL HA 1.0 . 4.8 259 197 A 47 GLU H A 47 GLU HA 1.0 . 3.7 260 198 A 39 PHE H A 38 TYR HA 1.0 . 3.7 261 199 A 40 SER H A 39 PHE HA 1.0 . 4.0 262 200 A 73 LYS H A 73 LYS HBx 1.0 . 3.7 263 200 A 73 LYS H A 73 LYS HBy 1.0 . 3.7 264 201 A 53 ARG H A 53 ARG HBy 1.0 . 3.4 265 201 A 53 ARG H A 53 ARG HBx 1.0 . 3.4 266 202 A 69 GLU H A 70 LEU H 1.0 . 4.0 267 203 A 85 GLU H A 84 GLU HBy 1.0 . 4.6 268 203 A 85 GLU H A 84 GLU HBx 1.0 . 4.6 269 204 A 69 GLU H A 69 GLU HA 1.0 . 4.2 270 205 A 41 ASP H A 40 SER HA 1.0 . 3.7 271 206 A 63 ASN H A 61 VAL HGy% 1.0 . 4.3 272 207 A 52 ALA H A 49 GLU HA 1.0 . 4.7 273 208 A 32 GLU H A 33 VAL HB 1.0 . 5.5 274 209 A 47 GLU H A 47 GLU HBy 1.0 . 4.3 275 209 A 47 GLU H A 47 GLU HBx 1.0 . 4.3 276 210 A 32 GLU H A 31 CYS HBx 1.0 . 5.5 277 210 A 32 GLU H A 31 CYS HBy 1.0 . 5.5 278 211 A 36 GLY H A 36 GLY HAx 1.0 . 4.0 279 211 A 36 GLY H A 36 GLY HAy 1.0 . 4.0 280 212 A 49 GLU H A 49 GLU HBx 1.0 . 3.2 281 212 A 49 GLU H A 49 GLU HBy 1.0 . 3.2 282 213 A 28 LEU H A 27 THR HG2% 1.0 . 4.7 283 214 A 88 SER H A 89 CYS H 1.0 . 3.7 284 215 A 64 PHE H A 61 VAL HGy% 1.0 . 3.8 285 216 A 86 CYS H A 85 GLU H 1.0 . 5.5 286 217 A 25 ALA H A 22 ALA HA 1.0 . 4.2 287 218 A 39 PHE H A 81 LEU HDx% 1.0 . 4.6 288 219 A 37 THR HG2% A 38 TYR H 1.0 . 4.0 289 220 A 48 ALA H A 49 GLU H 1.0 . 3.7 290 221 A 35 GLU H A 33 VAL HGy% 1.0 . 5.5 291 222 A 88 SER H A 87 PHE HA 1.0 . 4.8 292 223 A 27 THR HA A 28 LEU H 1.0 . 4.6 293 224 A 76 ALA H A 75 VAL HGx% 1.0 . 3.7 294 225 A 22 ALA HB% A 22 ALA H 1.0 . 3.5 295 226 A 29 ALA H A 41 ASP H 1.0 . 5.5 296 227 A 35 GLU H A 35 GLU HA 1.0 . 4.0 297 228 A 44 ASP H A 43 GLY HAy 1.0 . 4.2 298 228 A 44 ASP H A 43 GLY HAx 1.0 . 4.2 299 229 A 75 VAL H A 75 VAL HGx% 1.0 . 3.4 300 230 A 69 GLU H A 66 ASP HBx 1.0 . 4.7 301 230 A 69 GLU H A 66 ASP HBy 1.0 . 4.7 302 231 A 61 VAL H A 61 VAL HA 1.0 . 4.1 303 232 A 75 VAL H A 76 ALA H 1.0 . 3.8 304 233 A 48 ALA HA A 48 ALA H 1.0 . 4.1 305 234 A 38 TYR H A 38 TYR HD% 1.0 . 4.2 306 235 A 38 TYR HA A 38 TYR H 1.0 . 4.8 307 236 A 38 TYR H A 38 TYR HE% 1.0 . 5.5 308 237 A 24 GLU H A 24 GLU HBy 1.0 . 3.4 309 237 A 24 GLU H A 24 GLU HBx 1.0 . 3.4 310 238 A 67 VAL H A 66 ASP HBx 1.0 . 4.8 311 238 A 67 VAL H A 66 ASP HBy 1.0 . 4.8 312 239 A 48 ALA H A 47 GLU HBy 1.0 . 5.4 313 239 A 48 ALA H A 47 GLU HBx 1.0 . 5.4 314 240 A 63 ASN HD21 A 63 ASN H 1.0 . 4.9 315 241 A 20 TYR H A 23 ILE HD1% 1.0 . 5.4 316 242 A 47 GLU H A 45 ILE H 1.0 . 5.5 317 243 A 69 GLU H A 66 ASP HBx 1.0 . 4.4 318 243 A 69 GLU H A 66 ASP HBy 1.0 . 4.4 319 244 A 34 HIS H A 33 VAL HA 1.0 . 5.3 320 245 A 59 GLY H A 58 LYS HBx 1.0 . 4.8 321 245 A 58 LYS HBy A 59 GLY H 1.0 . 4.8 322 246 A 45 ILE HA A 46 SER H 1.0 . 4.2 323 247 A 39 PHE H A 40 SER H 1.0 . 5.5 324 248 A 77 VAL H A 77 VAL HB 1.0 . 4.2 325 249 A 56 PHE H A 55 LYS HBy 1.0 . 3.8 326 249 A 56 PHE H A 55 LYS HBx 1.0 . 3.8 327 250 A 78 CYS H A 78 CYS HBx 1.0 . 4.0 328 250 A 78 CYS H A 78 CYS HBy 1.0 . 4.0 329 251 A 45 ILE H A 44 ASP HA 1.0 . 3.6 330 252 A 33 VAL H A 31 CYS HBx 1.0 . 5.5 331 252 A 33 VAL H A 31 CYS HBy 1.0 . 5.5 332 253 A 87 PHE H A 87 PHE HA 1.0 . 4.2 333 254 A 25 ALA HB% A 26 GLY H 1.0 . 4.4 334 255 A 22 ALA H A 19 VAL HGy% 1.0 . 5.5 335 256 A 60 GLU H A 59 GLY H 1.0 . 3.7 336 257 A 72 LYS H A 74 VAL H 1.0 . 5.4 337 258 A 30 GLU H A 38 TYR HE% 1.0 . 5.5 338 259 A 25 ALA H A 24 GLU HBy 1.0 . 5.5 339 259 A 25 ALA H A 24 GLU HBx 1.0 . 5.5 340 260 A 78 CYS H A 79 GLU H 1.0 . 4.0 341 261 A 21 ILE HG2% A 22 ALA H 1.0 . 4.1 342 262 A 74 VAL H A 74 VAL HGy% 1.0 . 3.4 343 263 A 39 PHE H A 81 LEU HBx 1.0 . 5.5 344 263 A 39 PHE H A 81 LEU HBy 1.0 . 5.5 345 264 A 26 GLY H A 28 LEU H 1.0 . 5.4 346 265 A 63 ASN HD22 A 63 ASN HD21 1.0 . 3.7 347 266 A 50 GLU H A 50 GLU HBx 1.0 . 3.1 348 266 A 50 GLU H A 50 GLU HBy 1.0 . 3.1 349 267 A 42 SER H A 42 SER HBx 1.0 . 3.8 350 267 A 42 SER H A 42 SER HBy 1.0 . 3.8 351 268 A 29 ALA H A 28 LEU HBy 1.0 . 4.1 352 268 A 29 ALA H A 28 LEU HBx 1.0 . 4.1 353 269 A 44 ASP H A 43 GLY H 1.0 . 4.3 354 270 A 44 ASP H A 44 ASP HA 1.0 . 4.4 355 271 A 20 TYR H A 18 ALA HB% 1.0 . 5.4 356 272 A 79 GLU H A 78 CYS HBx 1.0 . 4.3 357 272 A 79 GLU H A 78 CYS HBy 1.0 . 4.3 358 273 A 53 ARG H A 52 ALA HB% 1.0 . 3.6 359 274 A 32 GLU H A 32 GLU HBx 1.0 . 4.3 360 274 A 32 GLU H A 32 GLU HBy 1.0 . 4.3 361 275 A 27 THR H A 28 LEU H 1.0 . 4.0 362 276 A 32 GLU H A 31 CYS HA 1.0 . 3.5 363 277 A 41 ASP H A 41 ASP HA 1.0 . 4.1 364 278 A 56 PHE H A 56 PHE HA 1.0 . 3.8 365 279 A 87 PHE H A 37 THR HG2% 1.0 . 4.3 366 280 A 78 CYS H A 78 CYS HA 1.0 . 4.0 367 281 A 71 VAL H A 70 LEU HDy% 1.0 . 5.5 368 282 A 24 GLU H A 24 GLU HBy 1.0 . 4.8 369 282 A 24 GLU H A 24 GLU HBx 1.0 . 4.8 370 283 A 27 THR H A 51 LEU HD1% 1.0 . 4.4 371 284 A 20 TYR H A 20 TYR HBx 1.0 . 3.8 372 284 A 20 TYR H A 20 TYR HBy 1.0 . 3.8 373 285 A 34 HIS H A 35 GLU H 1.0 . 5.3 374 286 A 84 GLU H A 84 GLU HBy 1.0 . 4.6 375 286 A 84 GLU HBx A 84 GLU H 1.0 . 4.6 376 287 A 89 CYS H A 87 PHE HA 1.0 . 5.4 377 288 A 72 LYS H A 71 VAL HGy% 1.0 . 4.1 378 289 A 37 THR HG2% A 37 THR H 1.0 . 4.4 379 290 A 90 ASP H A 89 CYS HBx 1.0 . 4.3 380 290 A 90 ASP H A 89 CYS HBy 1.0 . 4.3 381 291 A 24 GLU H A 23 ILE HA 1.0 . 4.7 382 292 A 54 GLU H A 53 ARG HBy 1.0 . 3.7 383 292 A 54 GLU H A 53 ARG HBx 1.0 . 3.7 384 293 A 83 ALA H A 82 GLY HAx 1.0 . 4.6 385 293 A 83 ALA H A 82 GLY HAy 1.0 . 4.6 386 294 A 77 VAL H A 77 VAL HA 1.0 . 4.2 387 295 A 46 SER H A 48 ALA H 1.0 . 4.2 388 296 A 34 HIS H A 31 CYS HA 1.0 . 5.5 389 297 A 67 VAL H A 69 GLU H 1.0 . 5.0 390 298 A 57 GLU H A 56 PHE HBy 1.0 . 4.1 391 298 A 56 PHE HBx A 57 GLU H 1.0 . 4.1 392 299 A 23 ILE H A 23 ILE HA 1.0 . 4.1 393 300 A 69 GLU H A 70 LEU H 1.0 . 4.0 394 301 A 63 ASN H A 63 ASN HBx 1.0 . 4.0 395 301 A 63 ASN H A 63 ASN HBy 1.0 . 4.0 396 302 A 42 SER H A 42 SER HA 1.0 . 4.0 397 303 A 53 ARG H A 74 VAL HGx% 1.0 . 4.8 398 304 A 68 GLU H A 67 VAL HGy% 1.0 . 3.6 399 305 A 33 VAL H A 32 GLU HBx 1.0 . 5.5 400 305 A 33 VAL H A 32 GLU HBy 1.0 . 5.5 401 306 A 27 THR H A 26 GLY HAy 1.0 . 4.6 402 306 A 27 THR H A 26 GLY HAx 1.0 . 4.6 403 307 A 21 ILE HG2% A 25 ALA H 1.0 . 5.2 404 308 A 55 LYS H A 55 LYS HA 1.0 . 4.0 405 309 A 69 GLU H A 69 GLU HBy 1.0 . 3.7 406 309 A 69 GLU H A 69 GLU HBx 1.0 . 3.7 407 310 A 39 PHE H A 39 PHE HA 1.0 . 4.6 408 311 A 46 SER H A 45 ILE HB 1.0 . 4.0 409 312 A 32 GLU H A 33 VAL HGx% 1.0 . 5.3 410 313 A 61 VAL HGx% A 61 VAL H 1.0 . 3.7 411 314 A 33 VAL H A 32 GLU H 1.0 . 4.0 412 315 A 64 PHE H A 63 ASN H 1.0 . 4.2 413 316 A 45 ILE HA A 45 ILE H 1.0 . 4.6 414 317 A 48 ALA HA A 49 GLU H 1.0 . 4.4 415 318 A 25 ALA H A 24 GLU HBy 1.0 . 4.4 416 318 A 25 ALA H A 24 GLU HBx 1.0 . 4.4 417 319 A 43 GLY H A 41 ASP HBx 1.0 . 5.5 418 319 A 41 ASP HBy A 43 GLY H 1.0 . 5.5 419 320 A 28 LEU H A 28 LEU HBy 1.0 . 4.0 420 320 A 28 LEU H A 28 LEU HBx 1.0 . 4.0 421 321 A 23 ILE H A 21 ILE H 1.0 . 5.5 422 322 A 24 GLU H A 23 ILE HD1% 1.0 . 5.2 423 323 A 29 ALA H A 30 GLU H 1.0 . 5.5 424 324 A 72 LYS H A 72 LYS HDy 1.0 . 4.7 425 324 A 72 LYS H A 72 LYS HDx 1.0 . 4.7 426 325 A 48 ALA H A 47 GLU HBy 1.0 . 3.8 427 325 A 48 ALA H A 47 GLU HBx 1.0 . 3.8 428 326 A 51 LEU H A 50 GLU HBx 1.0 . 4.9 429 326 A 51 LEU H A 50 GLU HBy 1.0 . 4.9 430 327 A 41 ASP H A 39 PHE HE% 1.0 . 5.5 431 328 A 77 VAL H A 77 VAL HGx% 1.0 . 3.7 432 329 A 76 ALA HA A 76 ALA H 1.0 . 3.6 433 330 A 39 PHE H A 28 LEU HBy 1.0 . 5.0 434 330 A 39 PHE H A 28 LEU HBx 1.0 . 5.0 435 331 A 55 LYS H A 54 GLU HA 1.0 . 4.9 436 332 A 56 PHE H A 55 LYS H 1.0 . 4.1 437 333 A 63 ASN HD21 A 63 ASN HBx 1.0 . 5.2 438 333 A 63 ASN HD21 A 63 ASN HBy 1.0 . 5.2 439 334 A 58 LYS H A 57 GLU HA 1.0 . 4.2 440 335 A 66 ASP H A 66 ASP HBx 1.0 . 4.0 441 335 A 66 ASP H A 66 ASP HBy 1.0 . 4.0 442 336 A 50 GLU H A 49 GLU H 1.0 . 4.3 443 337 A 26 GLY H A 26 GLY HAy 1.0 . 3.6 444 337 A 26 GLY H A 26 GLY HAx 1.0 . 3.6 445 338 A 49 GLU H A 49 GLU HA 1.0 . 4.0 446 339 A 70 LEU H A 69 GLU HBy 1.0 . 4.3 447 339 A 69 GLU HBx A 70 LEU H 1.0 . 4.3 448 340 A 27 THR H A 28 LEU H 1.0 . 3.7 449 341 A 44 ASP H A 43 GLY H 1.0 . 4.3 450 342 A 37 THR H A 36 GLY H 1.0 . 4.4 451 343 A 66 ASP H A 65 ASP HBx 1.0 . 4.1 452 343 A 66 ASP H A 65 ASP HBy 1.0 . 4.1 453 344 A 58 LYS H A 57 GLU H 1.0 . 4.1 454 345 A 55 LYS H A 57 GLU H 1.0 . 4.8 455 346 A 31 CYS H A 31 CYS HA 1.0 . 4.6 456 347 A 20 TYR H A 19 VAL HGy% 1.0 . 5.2 457 348 A 84 GLU H A 83 ALA H 1.0 . 5.5 458 349 A 34 HIS H A 31 CYS HBx 1.0 . 4.6 459 349 A 34 HIS H A 31 CYS HBy 1.0 . 4.6 460 350 A 51 LEU H A 50 GLU H 1.0 . 4.1 461 351 A 78 CYS H A 75 VAL HA 1.0 . 3.7 462 352 A 86 CYS H A 39 PHE HE% 1.0 . 5.5 463 353 A 41 ASP H A 28 LEU H 1.0 . 5.5 464 354 A 84 GLU H A 83 ALA HB% 1.0 . 4.2 465 355 A 41 ASP H A 41 ASP HBx 1.0 . 4.4 466 355 A 41 ASP HBy A 41 ASP H 1.0 . 4.4 467 356 A 84 GLU H A 84 GLU HA 1.0 . 4.7 468 357 A 49 GLU H A 46 SER HA 1.0 . 4.0 469 358 A 21 ILE H A 22 ALA H 1.0 . 4.1 470 359 A 67 VAL H A 66 ASP HA 1.0 . 3.4 471 360 A 91 PHE H A 91 PHE HBx 1.0 . 4.4 472 360 A 91 PHE H A 91 PHE HBy 1.0 . 4.4 473 361 A 21 ILE H A 21 ILE HD1% 1.0 . 4.1 474 362 A 28 LEU H A 28 LEU HA 1.0 . 4.6 475 363 A 58 LYS H A 57 GLU HBx 1.0 . 3.8 476 363 A 58 LYS H A 57 GLU HBy 1.0 . 3.8 477 364 A 58 LYS H A 56 PHE HD% 1.0 . 5.5 478 365 A 84 GLU H A 83 ALA H 1.0 . 5.4 479 366 A 21 ILE HA A 22 ALA H 1.0 . 5.3 480 367 A 75 VAL H A 76 ALA H 1.0 . 4.0 481 368 A 29 ALA HA A 30 GLU H 1.0 . 3.6 482 369 A 29 ALA H A 28 LEU HA 1.0 . 3.7 483 370 A 52 ALA H A 51 LEU HA 1.0 . 4.6 484 371 A 28 LEU HDy% A 40 SER H 1.0 . 5.3 485 372 A 79 GLU H A 79 GLU HBy 1.0 . 4.1 486 372 A 79 GLU H A 79 GLU HBx 1.0 . 4.1 487 373 A 82 GLY H A 81 LEU HBx 1.0 . 4.9 488 373 A 82 GLY H A 81 LEU HBy 1.0 . 4.9 489 374 A 39 PHE H A 38 TYR HBx 1.0 . 4.2 490 374 A 39 PHE H A 38 TYR HBy 1.0 . 4.2 491 375 A 32 GLU HA A 32 GLU H 1.0 . 4.2 492 376 A 23 ILE H A 22 ALA HA 1.0 . 4.8 493 377 A 75 VAL H A 72 LYS HA 1.0 . 4.4 494 378 A 70 LEU H A 70 LEU HA 1.0 . 3.7 495 379 A 43 GLY H A 43 GLY HAy 1.0 . 3.7 496 379 A 43 GLY H A 43 GLY HAx 1.0 . 3.7 497 380 A 92 ASP H A 91 PHE HA 1.0 . 5.0 498 381 A 90 ASP H A 90 ASP HA 1.0 . 4.3 499 382 A 69 GLU H A 66 ASP HA 1.0 . 5.5 500 383 A 58 LYS H A 58 LYS HDx 1.0 . 4.2 501 383 A 58 LYS H A 58 LYS HDy 1.0 . 4.2 502 384 A 67 VAL H A 66 ASP H 1.0 . 5.5 503 385 A 35 GLU H A 34 HIS HA 1.0 . 3.4 504 386 A 90 ASP H A 89 CYS HA 1.0 . 4.1 505 387 A 59 GLY H A 59 GLY HAx 1.0 . 3.5 506 387 A 59 GLY H A 59 GLY HAy 1.0 . 3.5 507 388 A 71 VAL H A 71 VAL HGx% 1.0 . 3.4 508 389 A 73 LYS H A 73 LYS HA 1.0 . 4.1 509 390 A 26 GLY H A 51 LEU HD1% 1.0 . 5.0 510 391 A 71 VAL H A 70 LEU HBx 1.0 . 4.4 511 391 A 71 VAL H A 70 LEU HBy 1.0 . 4.4 512 392 A 68 GLU H A 69 GLU H 1.0 . 3.7 513 393 A 46 SER H A 46 SER HA 1.0 . 3.8 514 394 A 48 ALA H A 51 LEU HD1% 1.0 . 4.7 515 395 A 72 LYS H A 68 GLU HA 1.0 . 4.7 516 396 A 86 CYS H A 39 PHE HD% 1.0 . 5.5 517 397 A 29 ALA H A 38 TYR HD% 1.0 . 5.4 518 398 A 37 THR H A 31 CYS HBx 1.0 . 5.0 519 398 A 37 THR H A 31 CYS HBy 1.0 . 5.0 520 399 A 35 GLU H A 35 GLU HBx 1.0 . 3.4 521 399 A 35 GLU H A 35 GLU HBy 1.0 . 3.4 522 400 A 41 ASP H A 28 LEU HBy 1.0 . 5.5 523 400 A 41 ASP H A 28 LEU HBx 1.0 . 5.5 524 401 A 77 VAL H A 78 CYS H 1.0 . 3.8 525 402 A 46 SER H A 45 ILE H 1.0 . 4.2 526 403 A 77 VAL H A 74 VAL HA 1.0 . 4.8 527 404 A 86 CYS H A 85 GLU HBx 1.0 . 4.3 528 404 A 86 CYS H A 85 GLU HBy 1.0 . 4.3 529 405 A 85 GLU H A 84 GLU HA 1.0 . 4.4 530 406 A 80 GLU H A 79 GLU HA 1.0 . 3.6 531 407 A 68 GLU H A 68 GLU HA 1.0 . 4.0 532 408 A 75 VAL H A 75 VAL HA 1.0 . 4.1 533 409 A 23 ILE H A 20 TYR HA 1.0 . 4.4 534 410 A 50 GLU H A 49 GLU HA 1.0 . 4.8 535 411 A 63 ASN H A 61 VAL HA 1.0 . 5.2 536 412 A 41 ASP H A 41 ASP HBx 1.0 . 4.6 537 412 A 41 ASP HBy A 41 ASP H 1.0 . 4.6 538 413 A 53 ARG H A 71 VAL HGx% 1.0 . 4.4 539 414 A 44 ASP H A 44 ASP HBx 1.0 . 4.1 540 414 A 44 ASP H A 44 ASP HBy 1.0 . 4.1 541 415 A 64 PHE H A 64 PHE HBx 1.0 . 4.2 542 415 A 64 PHE H A 64 PHE HBy 1.0 . 4.2 543 416 A 42 SER H A 41 ASP HA 1.0 . 4.7 544 417 A 29 ALA H A 41 ASP HBx 1.0 . 5.5 545 417 A 29 ALA H A 41 ASP HBy 1.0 . 5.5 546 418 A 42 SER H A 41 ASP HBx 1.0 . 3.7 547 418 A 42 SER H A 41 ASP HBy 1.0 . 3.7 548 419 A 30 GLU H A 29 ALA HB% 1.0 . 3.6 549 420 A 72 LYS H A 72 LYS HBy 1.0 . 3.4 550 420 A 72 LYS H A 72 LYS HBx 1.0 . 3.4 551 421 A 85 GLU H A 39 PHE HA 1.0 . 5.5 552 422 A 58 LYS H A 57 GLU H 1.0 . 4.3 553 423 A 38 TYR H A 38 TYR HBx 1.0 . 4.6 554 423 A 38 TYR HBy A 38 TYR H 1.0 . 4.6 555 424 A 31 CYS H A 31 CYS HBx 1.0 . 4.2 556 424 A 31 CYS H A 31 CYS HBy 1.0 . 4.2 557 425 A 72 LYS H A 72 LYS HGy 1.0 . 4.0 558 425 A 72 LYS H A 72 LYS HGx 1.0 . 4.0 559 426 A 90 ASP H A 91 PHE H 1.0 . 4.8 560 427 A 25 ALA H A 25 ALA HB% 1.0 . 3.8 561 428 A 28 LEU HG A 28 LEU H 1.0 . 4.2 562 429 A 72 LYS H A 70 LEU H 1.0 . 5.5 563 430 A 85 GLU H A 85 GLU HA 1.0 . 4.4 564 431 A 47 GLU H A 48 ALA H 1.0 . 3.8 565 432 A 36 GLY H A 30 GLU HB2 1.0 . 4.9 566 432 A 36 GLY H A 30 GLU HB3 1.0 . 4.9 567 433 A 73 LYS H A 72 LYS HA 1.0 . 4.6 568 434 A 88 SER H A 88 SER HA 1.0 . 4.1 569 435 A 68 GLU H A 69 GLU H 1.0 . 3.8 570 436 A 87 PHE H A 86 CYS H 1.0 . 5.5 571 437 A 52 ALA H A 52 ALA HA 1.0 . 3.7 572 438 A 39 PHE H A 81 LEU HBx 1.0 . 5.5 573 438 A 39 PHE H A 81 LEU HBy 1.0 . 5.5 574 439 A 81 LEU H A 82 GLY H 1.0 . 4.0 575 440 A 71 VAL H A 70 LEU H 1.0 . 4.2 576 441 A 50 GLU H A 49 GLU H 1.0 . 3.8 577 442 A 55 LYS H A 54 GLU HBx 1.0 . 3.8 578 442 A 55 LYS H A 54 GLU HBy 1.0 . 3.8 579 443 A 70 LEU H A 70 LEU HBx 1.0 . 3.7 580 443 A 70 LEU H A 70 LEU HBy 1.0 . 3.7 581 444 A 38 TYR H A 37 THR HA 1.0 . 3.5 582 445 A 24 GLU H A 20 TYR HA 1.0 . 4.8 583 446 A 64 PHE H A 61 VAL HB 1.0 . 5.5 584 447 A 60 GLU H A 59 GLY HAx 1.0 . 4.1 585 447 A 60 GLU H A 59 GLY HAy 1.0 . 4.1 586 448 A 55 LYS H A 55 LYS HBy 1.0 . 3.6 587 448 A 55 LYS H A 55 LYS HBx 1.0 . 3.6 588 449 A 47 GLU H A 46 SER HA 1.0 . 4.9 589 450 A 34 HIS H A 31 CYS HBx 1.0 . 4.0 590 450 A 34 HIS H A 31 CYS HBy 1.0 . 4.0 591 451 A 55 LYS H A 55 LYS HBy 1.0 . 3.4 592 451 A 55 LYS H A 55 LYS HBx 1.0 . 3.4 593 452 A 27 THR H A 26 GLY H 1.0 . 4.1 594 453 A 27 THR H A 23 ILE HD1% 1.0 . 5.2 595 454 A 77 VAL H A 79 GLU H 1.0 . 5.5 596 455 A 82 GLY H A 82 GLY HAx 1.0 . 3.7 597 455 A 82 GLY H A 82 GLY HAy 1.0 . 3.7 598 456 A 51 LEU H A 50 GLU H 1.0 . 4.2 599 457 A 72 LYS H A 70 LEU HA 1.0 . 5.2 600 458 A 20 TYR HD% A 21 ILE H 1.0 . 5.5 601 459 A 24 GLU H A 23 ILE HG2% 1.0 . 4.2 602 460 A 33 VAL H A 33 VAL HB 1.0 . 3.7 603 461 A 91 PHE H A 90 ASP HA 1.0 . 4.1 604 462 A 91 PHE H A 88 SER HBx 1.0 . 4.1 605 462 A 88 SER HBy A 91 PHE H 1.0 . 4.1 606 463 A 64 PHE H A 64 PHE HBx 1.0 . 4.7 607 463 A 64 PHE H A 64 PHE HBy 1.0 . 4.7 608 464 A 21 ILE H A 21 ILE HB 1.0 . 3.7 609 465 A 74 VAL HGx% A 49 GLU H 1.0 . 4.7 610 466 A 28 LEU H A 23 ILE HD1% 1.0 . 4.7 611 467 A 56 PHE H A 58 LYS H 1.0 . 5.5 612 468 A 48 ALA H A 48 ALA HB% 1.0 . 3.5 613 469 A 52 ALA H A 53 ARG H 1.0 . 3.7 614 470 A 22 ALA H A 21 ILE HB 1.0 . 4.0 615 471 A 29 ALA H A 28 LEU HDx% 1.0 . 4.9 616 472 A 24 GLU H A 24 GLU HBy 1.0 . 3.4 617 472 A 24 GLU H A 24 GLU HBx 1.0 . 3.4 618 473 A 33 VAL H A 33 VAL HGx% 1.0 . 4.0 619 474 A 77 VAL H A 76 ALA H 1.0 . 4.0 620 475 A 61 VAL H A 61 VAL HGy% 1.0 . 4.4 621 476 A 77 VAL H A 76 ALA H 1.0 . 4.1 622 477 A 40 SER H A 40 SER HBx 1.0 . 3.7 623 477 A 40 SER H A 40 SER HBy 1.0 . 3.7 624 478 A 55 LYS H A 51 LEU HA 1.0 . 5.2 625 479 A 79 GLU H A 79 GLU HA 1.0 . 3.8 626 480 A 31 CYS H A 39 PHE HE% 1.0 . 5.2 627 481 A 33 VAL H A 33 VAL HGy% 1.0 . 4.8 628 482 A 87 PHE H A 89 CYS H 1.0 . 5.5 629 483 A 64 PHE H A 63 ASN HA 1.0 . 4.4 630 484 A 43 GLY H A 41 ASP HBx 1.0 . 5.5 631 484 A 41 ASP HBy A 43 GLY H 1.0 . 5.5 632 485 A 20 TYR H A 19 VAL HGx% 1.0 . 4.9 633 486 A 31 CYS H A 38 TYR HA 1.0 . 5.3 634 487 A 56 PHE H A 56 PHE HD% 1.0 . 4.6 635 488 A 78 CYS H A 78 CYS HBx 1.0 . 4.2 636 488 A 78 CYS H A 78 CYS HBy 1.0 . 4.2 637 489 A 42 SER H A 41 ASP H 1.0 . 4.7 638 490 A 71 VAL H A 70 LEU HBx 1.0 . 3.8 639 490 A 71 VAL H A 70 LEU HBy 1.0 . 3.8 640 491 A 39 PHE H A 40 SER H 1.0 . 5.5 641 492 A 85 GLU H A 84 GLU H 1.0 . 4.3 642 493 A 73 LYS H A 72 LYS HDy 1.0 . 4.6 643 493 A 73 LYS H A 72 LYS HDx 1.0 . 4.6 644 494 A 89 CYS H A 89 CYS HBx 1.0 . 3.6 645 494 A 89 CYS H A 89 CYS HBy 1.0 . 3.6 646 495 A 86 CYS H A 86 CYS HA 1.0 . 4.3 647 496 A 54 GLU H A 54 GLU HBx 1.0 . 4.1 648 496 A 54 GLU H A 54 GLU HBy 1.0 . 4.1 649 497 A 21 ILE H A 20 TYR HA 1.0 . 4.4 650 498 A 89 CYS H A 89 CYS HA 1.0 . 4.0 651 499 A 29 ALA H A 39 PHE H 1.0 . 4.2 652 500 A 21 ILE HG2% A 21 ILE H 1.0 . 3.8 653 501 A 73 LYS H A 74 VAL H 1.0 . 3.7 654 502 A 32 GLU H A 31 CYS HBx 1.0 . 5.3 655 502 A 32 GLU H A 31 CYS HBy 1.0 . 5.3 656 503 A 56 PHE H A 57 GLU H 1.0 . 3.8 657 504 A 85 GLU H A 84 GLU H 1.0 . 4.4 658 505 A 88 SER H A 87 PHE HBy 1.0 . 4.6 659 505 A 88 SER H A 87 PHE HBx 1.0 . 4.6 660 506 A 74 VAL H A 70 LEU HDy% 1.0 . 5.5 661 507 A 25 ALA H A 25 ALA HA 1.0 . 4.0 662 508 A 81 LEU H A 79 GLU HA 1.0 . 4.3 663 509 A 29 ALA H A 38 TYR HBx 1.0 . 5.5 664 509 A 29 ALA H A 38 TYR HBy 1.0 . 5.5 665 510 A 36 GLY H A 35 GLU HBx 1.0 . 4.4 666 510 A 36 GLY H A 35 GLU HBy 1.0 . 4.4 667 511 A 22 ALA H A 20 TYR HA 1.0 . 5.5 668 512 A 52 ALA H A 51 LEU HBy 1.0 . 4.2 669 512 A 52 ALA H A 51 LEU HBx 1.0 . 4.2 670 513 A 22 ALA H A 22 ALA HA 1.0 . 4.0 671 514 A 61 VAL H A 56 PHE HD% 1.0 . 5.4 672 515 A 82 GLY H A 81 LEU HBx 1.0 . 5.5 673 515 A 82 GLY H A 81 LEU HBy 1.0 . 5.5 674 516 A 20 TYR H A 77 VAL HGx% 1.0 . 5.4 675 517 A 59 GLY H A 58 LYS HBx 1.0 . 4.4 676 517 A 58 LYS HBy A 59 GLY H 1.0 . 4.4 677 518 A 33 VAL H A 33 VAL HA 1.0 . 4.3 678 519 A 23 ILE H A 22 ALA H 1.0 . 4.1 679 520 A 27 THR H A 26 GLY H 1.0 . 4.0 680 521 A 86 CYS H A 86 CYS HBx 1.0 . 4.2 681 521 A 86 CYS HBy A 86 CYS H 1.0 . 4.2 682 522 A 31 CYS H A 37 THR HB 1.0 . 4.9 683 523 A 57 GLU H A 57 GLU HA 1.0 . 3.5 684 524 A 23 ILE H A 23 ILE HB 1.0 . 3.7 685 525 A 87 PHE H A 86 CYS HA 1.0 . 3.5 686 526 A 49 GLU H A 49 GLU HBx 1.0 . 4.2 687 526 A 49 GLU H A 49 GLU HBy 1.0 . 4.2 688 527 A 29 ALA H A 28 LEU H 1.0 . 5.5 689 528 A 31 CYS H A 31 CYS HBx 1.0 . 4.1 690 528 A 31 CYS H A 31 CYS HBy 1.0 . 4.1 691 529 A 75 VAL H A 74 VAL HGx% 1.0 . 4.6 692 530 A 60 GLU H A 59 GLY H 1.0 . 3.5 693 531 A 35 GLU H A 34 HIS HBy 1.0 . 4.7 694 531 A 35 GLU H A 34 HIS HBx 1.0 . 4.7 695 532 A 24 GLU H A 25 ALA HB% 1.0 . 4.8 696 533 A 75 VAL H A 73 LYS HA 1.0 . 5.2 697 534 A 64 PHE H A 64 PHE HA 1.0 . 4.4 698 535 A 61 VAL H A 60 GLU HBy 1.0 . 4.6 699 535 A 60 GLU HBx A 61 VAL H 1.0 . 4.6 700 536 A 63 ASN H A 62 SER HBy 1.0 . 4.2 701 536 A 63 ASN H A 62 SER HBx 1.0 . 4.2 702 537 A 39 PHE H A 38 TYR HD% 1.0 . 4.3 703 538 A 46 SER H A 44 ASP HA 1.0 . 4.7 704 539 A 83 ALA H A 39 PHE HA 1.0 . 4.2 705 540 A 76 ALA H A 75 VAL HA 1.0 . 4.7 706 541 A 63 ASN H A 63 ASN HA 1.0 . 4.2 707 542 A 71 VAL HA A 75 VAL H 1.0 . 4.4 708 543 A 27 THR H A 25 ALA H 1.0 . 5.2 709 544 A 72 LYS H A 71 VAL H 1.0 . 4.2 710 545 A 54 GLU H A 53 ARG HA 1.0 . 4.6 711 546 A 48 ALA H A 74 VAL HGx% 1.0 . 5.5 712 547 A 51 LEU H A 52 ALA H 1.0 . 3.8 713 548 A 39 PHE HD% A 40 SER H 1.0 . 4.8 714 549 A 82 GLY H A 83 ALA H 1.0 . 4.4 715 550 A 45 ILE HA A 48 ALA H 1.0 . 4.4 716 551 A 47 GLU H A 48 ALA H 1.0 . 4.0 717 552 A 70 LEU H A 70 LEU HDy% 1.0 . 5.0 718 553 A 68 GLU H A 68 GLU HBy 1.0 . 3.5 719 553 A 68 GLU H A 68 GLU HBx 1.0 . 3.5 720 554 A 40 SER H A 83 ALA H 1.0 . 4.9 721 555 A 23 ILE H A 19 VAL HGy% 1.0 . 5.5 722 556 A 77 VAL H A 78 CYS H 1.0 . 4.0 723 557 A 35 GLU H A 35 GLU HBx 1.0 . 4.0 724 557 A 35 GLU H A 35 GLU HBy 1.0 . 4.0 725 558 A 61 VAL HGx% A 63 ASN H 1.0 . 5.5 726 559 A 40 SER H A 83 ALA H 1.0 . 4.8 727 560 A 55 LYS H A 56 PHE HBy 1.0 . 5.2 728 560 A 55 LYS H A 56 PHE HBx 1.0 . 5.2 729 561 A 68 GLU H A 67 VAL H 1.0 . 4.2 730 562 A 34 HIS H A 33 VAL HGx% 1.0 . 5.0 731 563 A 77 VAL H A 79 GLU H 1.0 . 5.5 732 564 A 55 LYS H A 54 GLU HBx 1.0 . 5.0 733 564 A 55 LYS H A 54 GLU HBy 1.0 . 5.0 734 565 A 47 GLU H A 47 GLU HBy 1.0 . 4.1 735 565 A 47 GLU H A 47 GLU HBx 1.0 . 4.1 736 566 A 89 CYS H A 88 SER HBx 1.0 . 4.7 737 566 A 88 SER HBy A 89 CYS H 1.0 . 4.7 738 567 A 84 GLU H A 84 GLU HBy 1.0 . 4.1 739 567 A 84 GLU HBx A 84 GLU H 1.0 . 4.1 740 568 A 66 ASP H A 66 ASP HA 1.0 . 3.7 741 569 A 85 GLU H A 85 GLU HBx 1.0 . 4.6 742 569 A 85 GLU H A 85 GLU HBy 1.0 . 4.6 743 570 A 63 ASN HD21 A 63 ASN HBx 1.0 . 4.3 744 570 A 63 ASN HD21 A 63 ASN HBy 1.0 . 4.3 745 571 A 24 GLU H A 21 ILE HA 1.0 . 4.7 746 572 A 46 SER H A 45 ILE H 1.0 . 4.1 747 573 A 40 SER H A 40 SER HA 1.0 . 4.3 748 574 A 68 GLU H A 70 LEU H 1.0 . 4.9 749 575 A 26 GLY H A 24 GLU HA 1.0 . 4.8 750 576 A 23 ILE H A 22 ALA H 1.0 . 4.0 751 577 A 21 ILE H A 20 TYR HBx 1.0 . 4.7 752 577 A 20 TYR HBy A 21 ILE H 1.0 . 4.7 753 578 A 26 GLY H A 28 LEU H 1.0 . 5.5 754 579 A 58 LYS H A 57 GLU HBx 1.0 . 5.0 755 579 A 58 LYS H A 57 GLU HBy 1.0 . 5.0 756 580 A 40 SER H A 39 PHE HBx 1.0 . 3.6 757 580 A 40 SER H A 39 PHE HBy 1.0 . 3.6 758 581 A 71 VAL H A 68 GLU HA 1.0 . 4.0 759 582 A 84 GLU H A 83 ALA HB% 1.0 . 5.3 760 583 A 51 LEU HA A 51 LEU HG 1.0 . 5.2 761 584 A 39 PHE HD% A 39 PHE HBx 1.0 . 4.6 762 584 A 39 PHE HD% A 39 PHE HBy 1.0 . 4.6 763 585 A 21 ILE HA A 24 GLU HBy 1.0 . 4.1 764 585 A 21 ILE HA A 24 GLU HBx 1.0 . 4.1 765 586 A 27 THR HB A 27 THR HG2% 1.0 . 4.4 766 587 A 81 LEU H A 81 LEU HDx% 1.0 . 5.3 767 588 A 48 ALA HA A 51 LEU HD1% 1.0 . 4.9 768 589 A 38 TYR HA A 38 TYR HD% 1.0 . 5.3 769 590 A 21 ILE HD1% A 21 ILE HB 1.0 . 4.0 770 591 A 45 ILE H A 45 ILE HG2% 1.0 . 4.7 771 592 A 20 TYR HD% A 20 TYR HBx 1.0 . 5.2 772 592 A 20 TYR HBy A 20 TYR HD% 1.0 . 5.2 773 593 A 44 ASP H A 44 ASP HBx 1.0 . 4.7 774 593 A 44 ASP H A 44 ASP HBy 1.0 . 4.7 775 594 A 28 LEU HDy% A 40 SER HBx 1.0 . 4.8 776 594 A 28 LEU HDy% A 40 SER HBy 1.0 . 4.8 777 595 A 89 CYS H A 89 CYS HA 1.0 . 4.8 778 596 A 21 ILE HG2% A 21 ILE HB 1.0 . 3.6 779 597 A 67 VAL HGx% A 68 GLU HBy 1.0 . 4.4 780 597 A 68 GLU HBx A 67 VAL HGx% 1.0 . 4.4 781 598 A 37 THR HG2% A 37 THR HB 1.0 . 4.2 782 599 A 39 PHE HA A 39 PHE HBx 1.0 . 5.2 783 599 A 39 PHE HBy A 39 PHE HA 1.0 . 5.2 784 600 A 86 CYS H A 86 CYS HBx 1.0 . 5.5 785 600 A 86 CYS HBy A 86 CYS H 1.0 . 5.5 786 601 A 52 ALA HB% A 71 VAL HGx% 1.0 . 4.8 787 602 A 48 ALA H A 48 ALA HB% 1.0 . 4.2 788 603 A 21 ILE HG2% A 25 ALA HB% 1.0 . 3.4 789 604 A 27 THR H A 27 THR HB 1.0 . 4.8 790 605 A 85 GLU H A 85 GLU HBx 1.0 . 5.5 791 605 A 85 GLU H A 85 GLU HBy 1.0 . 5.5 792 606 A 27 THR H A 24 GLU HA 1.0 . 5.5 793 607 A 70 LEU HA A 70 LEU HBx 1.0 . 4.4 794 607 A 70 LEU HA A 70 LEU HBy 1.0 . 4.4 795 608 A 52 ALA H A 71 VAL HGx% 1.0 . 4.4 796 609 A 46 SER H A 46 SER HA 1.0 . 4.7 797 610 A 44 ASP HA A 44 ASP HBx 1.0 . 5.0 798 610 A 44 ASP HBy A 44 ASP HA 1.0 . 5.0 799 611 A 89 CYS H A 89 CYS HBx 1.0 . 5.4 800 611 A 89 CYS H A 89 CYS HBy 1.0 . 5.4 801 612 A 42 SER HA A 42 SER HBx 1.0 . 5.0 802 612 A 42 SER HBy A 42 SER HA 1.0 . 5.0 803 613 A 26 GLY H A 26 GLY HAy 1.0 . 4.8 804 613 A 26 GLY H A 26 GLY HAx 1.0 . 4.8 805 614 A 27 THR HB A 27 THR HG2% 1.0 . 3.6 806 615 A 75 VAL HA A 45 ILE HD1% 1.0 . 4.4 807 616 A 20 TYR HD% A 20 TYR HBx 1.0 . 5.0 808 616 A 20 TYR HBy A 20 TYR HD% 1.0 . 5.0 809 617 A 89 CYS H A 89 CYS HBx 1.0 . 5.4 810 617 A 89 CYS H A 89 CYS HBy 1.0 . 5.4 811 618 A 77 VAL HGy% A 77 VAL HGx% 1.0 . 3.4 812 619 A 21 ILE HG2% A 22 ALA HA 1.0 . 3.7 813 620 A 67 VAL HA A 71 VAL HGx% 1.0 . 3.8 814 621 A 52 ALA HB% A 70 LEU HDx% 1.0 . 3.8 815 622 A 29 ALA HA A 29 ALA HB% 1.0 . 4.2 816 623 A 21 ILE H A 21 ILE HD1% 1.0 . 4.6 817 624 A 39 PHE HA A 39 PHE HBx 1.0 . 4.9 818 624 A 39 PHE HBy A 39 PHE HA 1.0 . 4.9 819 625 A 82 GLY H A 82 GLY HAx 1.0 . 5.5 820 625 A 82 GLY H A 82 GLY HAy 1.0 . 5.5 821 626 A 23 ILE HD1% A 19 VAL HGy% 1.0 . 4.3 822 627 A 77 VAL H A 76 ALA HA 1.0 . 5.4 823 628 A 78 CYS H A 78 CYS HA 1.0 . 5.0 824 629 A 44 ASP H A 44 ASP HBx 1.0 . 4.8 825 629 A 44 ASP H A 44 ASP HBy 1.0 . 4.8 826 630 A 48 ALA HB% A 75 VAL HA 1.0 . 5.2 827 631 A 38 TYR HE% A 23 ILE HD1% 1.0 . 4.6 828 632 A 45 ILE H A 45 ILE HD1% 1.0 . 4.7 829 633 A 25 ALA HB% A 25 ALA HA 1.0 . 3.7 830 634 A 77 VAL HGx% A 77 VAL HA 1.0 . 4.6 831 635 A 21 ILE HD1% A 21 ILE HB 1.0 . 3.5 832 636 A 70 LEU HDx% A 70 LEU HBx 1.0 . 4.4 833 636 A 70 LEU HBy A 70 LEU HDx% 1.0 . 4.4 834 637 A 70 LEU HDy% A 18 ALA HB% 1.0 . 5.0 835 638 A 77 VAL HGx% A 23 ILE HD1% 1.0 . 3.7 836 639 A 20 TYR H A 19 VAL HGx% 1.0 . 4.1 837 640 A 85 GLU H A 84 GLU HBy 1.0 . 5.5 838 640 A 85 GLU H A 84 GLU HBx 1.0 . 5.5 839 641 A 81 LEU HDx% A 81 LEU HG 1.0 . 4.2 840 642 A 83 ALA HA A 83 ALA HB% 1.0 . 5.0 841 643 A 46 SER HA A 46 SER HBx 1.0 . 3.8 842 643 A 46 SER HBy A 46 SER HA 1.0 . 3.8 843 644 A 77 VAL HGy% A 77 VAL HGx% 1.0 . 3.8 844 645 A 22 ALA HB% A 22 ALA H 1.0 . 3.8 845 646 A 45 ILE HG2% A 78 CYS HBx 1.0 . 4.6 846 646 A 78 CYS HBy A 45 ILE HG2% 1.0 . 4.6 847 647 A 22 ALA HB% A 22 ALA H 1.0 . 3.8 848 648 A 25 ALA HB% A 21 ILE HA 1.0 . 5.4 849 649 A 77 VAL H A 77 VAL HGx% 1.0 . 4.3 850 650 A 45 ILE HD1% A 78 CYS HBx 1.0 . 4.2 851 650 A 78 CYS HBy A 45 ILE HD1% 1.0 . 4.2 852 651 A 51 LEU HD1% A 51 LEU HBy 1.0 . 3.8 853 651 A 51 LEU HD1% A 51 LEU HBx 1.0 . 3.8 854 652 A 74 VAL HGx% A 48 ALA HB% 1.0 . 3.7 855 653 A 83 ALA HB% A 39 PHE HA 1.0 . 5.2 856 654 A 78 CYS H A 78 CYS HBx 1.0 . 4.9 857 654 A 78 CYS H A 78 CYS HBy 1.0 . 4.9 858 655 A 51 LEU HG A 51 LEU HBy 1.0 . 4.0 859 655 A 51 LEU HBx A 51 LEU HG 1.0 . 4.0 860 656 A 77 VAL HGy% A 77 VAL HA 1.0 . 4.2 861 657 A 21 ILE HG2% A 21 ILE HA 1.0 . 3.8 862 658 A 38 TYR HA A 38 TYR HBx 1.0 . 5.0 863 658 A 38 TYR HA A 38 TYR HBy 1.0 . 5.0 864 659 A 20 TYR H A 20 TYR HBx 1.0 . 4.6 865 659 A 20 TYR H A 20 TYR HBy 1.0 . 4.6 866 660 A 36 GLY H A 36 GLY HAx 1.0 . 5.3 867 660 A 36 GLY H A 36 GLY HAy 1.0 . 5.3 868 661 A 74 VAL HGy% A 74 VAL HB 1.0 . 3.5 869 662 A 85 GLU H A 85 GLU HBx 1.0 . 5.5 870 662 A 85 GLU H A 85 GLU HBy 1.0 . 5.5 871 663 A 28 LEU HDx% A 27 THR HG2% 1.0 . 3.8 872 664 A 70 LEU HDx% A 73 LYS HBx 1.0 . 4.7 873 664 A 73 LYS HBy A 70 LEU HDx% 1.0 . 4.7 874 665 A 22 ALA HB% A 22 ALA HA 1.0 . 3.6 875 666 A 37 THR HG2% A 86 CYS HA 1.0 . 5.0 876 667 A 22 ALA HB% A 19 VAL HGx% 1.0 . 5.2 877 668 A 45 ILE HG2% A 79 GLU HA 1.0 . 4.7 878 669 A 20 TYR HA A 20 TYR HBx 1.0 . 4.8 879 669 A 20 TYR HBy A 20 TYR HA 1.0 . 4.8 880 670 A 24 GLU H A 21 ILE HA 1.0 . 5.0 881 671 A 19 VAL HB A 19 VAL HGy% 1.0 . 4.4 882 672 A 78 CYS HA A 78 CYS HBx 1.0 . 5.0 883 672 A 78 CYS HBy A 78 CYS HA 1.0 . 5.0 884 673 A 27 THR HA A 27 THR HG2% 1.0 . 5.2 885 674 A 77 VAL HGx% A 76 ALA HB% 1.0 . 4.7 886 675 A 71 VAL HA A 71 VAL HGy% 1.0 . 3.6 887 676 A 43 GLY H A 43 GLY HAy 1.0 . 5.2 888 676 A 43 GLY H A 43 GLY HAx 1.0 . 5.2 889 677 A 56 PHE HA A 70 LEU HDx% 1.0 . 4.6 890 678 A 28 LEU HDy% A 28 LEU HBy 1.0 . 3.7 891 678 A 28 LEU HDy% A 28 LEU HBx 1.0 . 3.7 892 679 A 70 LEU H A 70 LEU HBx 1.0 . 4.7 893 679 A 70 LEU H A 70 LEU HBy 1.0 . 4.7 894 680 A 48 ALA HB% A 74 VAL HB 1.0 . 4.8 895 681 A 48 ALA HA A 48 ALA H 1.0 . 4.8 896 682 A 77 VAL HGx% A 19 VAL HGx% 1.0 . 4.6 897 683 A 74 VAL HGy% A 70 LEU HBx 1.0 . 4.2 898 683 A 70 LEU HBy A 74 VAL HGy% 1.0 . 4.2 899 684 A 78 CYS HA A 78 CYS HBx 1.0 . 4.7 900 684 A 78 CYS HBy A 78 CYS HA 1.0 . 4.7 901 685 A 52 ALA H A 51 LEU HD1% 1.0 . 4.4 902 686 A 25 ALA H A 25 ALA HB% 1.0 . 3.5 903 687 A 22 ALA H A 21 ILE HD1% 1.0 . 5.4 904 688 A 19 VAL HB A 19 VAL HGx% 1.0 . 3.8 905 689 A 21 ILE HG2% A 25 ALA HB% 1.0 . 3.4 906 690 A 23 ILE HD1% A 81 LEU HDy% 1.0 . 4.2 907 691 A 77 VAL H A 76 ALA HB% 1.0 . 4.1 908 692 A 75 VAL H A 74 VAL HGy% 1.0 . 3.8 909 693 A 44 ASP HA A 44 ASP HBx 1.0 . 5.0 910 693 A 44 ASP HBy A 44 ASP HA 1.0 . 5.0 911 694 A 21 ILE HG2% A 21 ILE H 1.0 . 4.4 912 695 A 86 CYS HA A 86 CYS HBx 1.0 . 5.5 913 695 A 86 CYS HBy A 86 CYS HA 1.0 . 5.5 914 696 A 78 CYS HA A 78 CYS HBx 1.0 . 4.7 915 696 A 78 CYS HBy A 78 CYS HA 1.0 . 4.7 916 697 A 48 ALA HB% A 27 THR HG2% 1.0 . 4.1 917 698 A 79 GLU HA A 45 ILE HD1% 1.0 . 4.7 918 699 A 46 SER HA A 49 GLU HBx 1.0 . 4.7 919 699 A 46 SER HA A 49 GLU HBy 1.0 . 4.7 920 700 A 77 VAL HGx% A 74 VAL HA 1.0 . 4.1 921 701 A 24 GLU H A 23 ILE HG2% 1.0 . 4.2 922 702 A 70 LEU HA A 70 LEU HBx 1.0 . 4.3 923 702 A 70 LEU HA A 70 LEU HBy 1.0 . 4.3 924 703 A 68 GLU H A 67 VAL HGx% 1.0 . 4.1 925 704 A 20 TYR H A 19 VAL HGy% 1.0 . 4.9 926 705 A 47 GLU H A 47 GLU HA 1.0 . 5.3 927 706 A 52 ALA H A 52 ALA HA 1.0 . 4.8 928 707 A 77 VAL H A 77 VAL HGy% 1.0 . 4.4 929 708 A 86 CYS H A 85 GLU HBx 1.0 . 5.5 930 708 A 86 CYS H A 85 GLU HBy 1.0 . 5.5 931 709 A 67 VAL H A 67 VAL HA 1.0 . 4.3 932 710 A 89 CYS HA A 89 CYS HBx 1.0 . 4.8 933 710 A 89 CYS HBy A 89 CYS HA 1.0 . 4.8 934 711 A 45 ILE HB A 45 ILE HG2% 1.0 . 3.5 935 712 A 22 ALA HB% A 22 ALA HA 1.0 . 3.6 936 713 A 28 LEU HDy% A 78 CYS HA 1.0 . 4.1 937 714 A 20 TYR H A 77 VAL HGx% 1.0 . 5.2 938 715 A 89 CYS HA A 34 HIS HE1 1.0 . 4.8 939 716 A 76 ALA HB% A 76 ALA H 1.0 . 3.6 940 717 A 83 ALA HA A 83 ALA HB% 1.0 . 4.1 941 718 A 20 TYR HA A 20 TYR HBx 1.0 . 4.6 942 718 A 20 TYR HBy A 20 TYR HA 1.0 . 4.6 943 719 A 51 LEU HD1% A 51 LEU HG 1.0 . 4.0 944 720 A 71 VAL HGx% A 49 GLU HBx 1.0 . 4.3 945 720 A 49 GLU HBy A 71 VAL HGx% 1.0 . 4.3 946 721 A 36 GLY H A 36 GLY HAx 1.0 . 5.4 947 721 A 36 GLY H A 36 GLY HAy 1.0 . 5.4 948 722 A 61 VAL HGx% A 70 LEU HDx% 1.0 . 3.0 949 723 A 23 ILE H A 23 ILE HD1% 1.0 . 4.8 950 724 A 21 ILE HG2% A 21 ILE HG1y 1.0 . 2.8 951 724 A 21 ILE HG2% A 21 ILE HG1x 1.0 . 2.8 952 725 A 37 THR HG2% A 38 TYR HBx 1.0 . 5.5 953 725 A 37 THR HG2% A 38 TYR HBy 1.0 . 5.5 954 726 A 70 LEU HA A 70 LEU HDx% 1.0 . 4.0 955 727 A 37 THR H A 34 HIS HA 1.0 . 5.4 956 728 A 51 LEU HD1% A 51 LEU HG 1.0 . 3.6 957 729 A 77 VAL HGy% A 76 ALA HB% 1.0 . 5.2 958 730 A 37 THR HG2% A 38 TYR HD% 1.0 . 5.5 959 731 A 45 ILE HD1% A 78 CYS HBx 1.0 . 4.3 960 731 A 78 CYS HBy A 45 ILE HD1% 1.0 . 4.3 961 732 A 45 ILE HD1% A 78 CYS HBx 1.0 . 4.3 962 732 A 78 CYS HBy A 45 ILE HD1% 1.0 . 4.3 963 733 A 70 LEU H A 70 LEU HDx% 1.0 . 4.2 964 734 A 29 ALA HA A 29 ALA HB% 1.0 . 4.8 965 735 A 20 TYR H A 20 TYR HBx 1.0 . 4.3 966 735 A 20 TYR H A 20 TYR HBy 1.0 . 4.3 967 736 A 43 GLY H A 43 GLY HAy 1.0 . 5.2 968 736 A 43 GLY H A 43 GLY HAx 1.0 . 5.2 969 737 A 23 ILE HG2% A 23 ILE HD1% 1.0 . 4.3 970 738 A 52 ALA HB% A 74 VAL HGy% 1.0 . 3.5 971 739 A 25 ALA HB% A 21 ILE HD1% 1.0 . 4.1 972 740 A 77 VAL HGy% A 19 VAL HGx% 1.0 . 3.6 973 741 A 26 GLY H A 26 GLY HAy 1.0 . 4.3 974 741 A 26 GLY H A 26 GLY HAx 1.0 . 4.3 975 742 A 70 LEU HDx% A 56 PHE HE% 1.0 . 4.2 976 743 A 37 THR HG2% A 38 TYR H 1.0 . 4.9 977 744 A 28 LEU HDx% A 81 LEU HG 1.0 . 4.3 978 745 A 21 ILE H A 21 ILE HA 1.0 . 4.7 979 746 A 22 ALA H A 74 VAL HGy% 1.0 . 4.4 980 747 A 19 VAL HB A 19 VAL HGy% 1.0 . 4.1 981 748 A 29 ALA HB% A 28 LEU HA 1.0 . 4.8 982 749 A 19 VAL HGy% A 19 VAL HGx% 1.0 . 4.1 983 750 A 23 ILE HG2% A 23 ILE HB 1.0 . 3.6 984 751 A 23 ILE HD1% A 23 ILE HA 1.0 . 5.0 985 752 A 67 VAL HA A 67 VAL HGx% 1.0 . 4.2 986 753 A 20 TYR H A 19 VAL HB 1.0 . 4.1 987 754 A 28 LEU HDy% A 40 SER HA 1.0 . 4.1 988 755 A 31 CYS H A 38 TYR HA 1.0 . 4.7 989 756 A 27 THR HG2% A 78 CYS HBx 1.0 . 4.7 990 756 A 78 CYS HBy A 27 THR HG2% 1.0 . 4.7 991 757 A 45 ILE HA A 45 ILE HD1% 1.0 . 4.3 992 758 A 21 ILE HG2% A 22 ALA H 1.0 . 4.6 993 759 A 77 VAL HGx% A 77 VAL HB 1.0 . 4.0 994 760 A 86 CYS H A 85 GLU HBx 1.0 . 5.5 995 760 A 86 CYS H A 85 GLU HBy 1.0 . 5.5 996 761 A 46 SER H A 45 ILE HG2% 1.0 . 4.8 997 762 A 70 LEU HDx% A 70 LEU HBx 1.0 . 4.3 998 762 A 70 LEU HBy A 70 LEU HDx% 1.0 . 4.3 999 763 A 18 ALA HB% A 19 VAL HGx% 1.0 . 5.3 1000 764 A 71 VAL HA A 71 VAL HGx% 1.0 . 4.0 1001 765 A 19 VAL HGy% A 19 VAL HGx% 1.0 . 4.1 1002 766 A 70 LEU H A 70 LEU HBx 1.0 . 4.7 1003 766 A 70 LEU H A 70 LEU HBy 1.0 . 4.7 1004 767 A 23 ILE HD1% A 23 ILE HB 1.0 . 3.8 1005 768 A 76 ALA HA A 76 ALA H 1.0 . 4.4 1006 769 A 76 ALA HA A 76 ALA HB% 1.0 . 3.4 1007 770 A 86 CYS H A 86 CYS HBx 1.0 . 5.5 1008 770 A 86 CYS HBy A 86 CYS H 1.0 . 5.5 1009 771 A 28 LEU HDy% A 81 LEU HBx 1.0 . 4.9 1010 771 A 28 LEU HDy% A 81 LEU HBy 1.0 . 4.9 1011 772 A 21 ILE HG2% A 21 ILE HA 1.0 . 3.7 1012 773 A 45 ILE HA A 45 ILE HG2% 1.0 . 4.0 1013 774 A 71 VAL HB A 71 VAL HGx% 1.0 . 3.2 1014 775 A 74 VAL HGy% A 74 VAL HA 1.0 . 3.8 1015 776 A 78 CYS H A 77 VAL HGx% 1.0 . 4.7 1016 777 A 54 GLU H A 54 GLU HA 1.0 . 4.6 1017 778 A 67 VAL HGx% A 68 GLU HBy 1.0 . 4.7 1018 778 A 68 GLU HBx A 67 VAL HGx% 1.0 . 4.7 1019 779 A 32 GLU H A 31 CYS HA 1.0 . 4.6 1020 780 A 83 ALA HB% A 39 PHE HBx 1.0 . 4.9 1021 780 A 39 PHE HBy A 83 ALA HB% 1.0 . 4.9 1022 781 A 38 TYR HD% A 23 ILE HD1% 1.0 . 4.4 1023 782 A 28 LEU HDx% A 78 CYS HA 1.0 . 4.4 1024 783 A 82 GLY H A 82 GLY HAx 1.0 . 4.8 1025 783 A 82 GLY H A 82 GLY HAy 1.0 . 4.8 1026 784 A 27 THR H A 51 LEU HD1% 1.0 . 5.5 1027 785 A 70 LEU H A 67 VAL HA 1.0 . 4.4 1028 786 A 78 CYS H A 78 CYS HBx 1.0 . 5.3 1029 786 A 78 CYS H A 78 CYS HBy 1.0 . 5.3 1030 787 A 77 VAL HGy% A 77 VAL HB 1.0 . 3.8 1031 788 A 78 CYS HA A 78 CYS HBx 1.0 . 5.0 1032 788 A 78 CYS HBy A 78 CYS HA 1.0 . 5.0 1033 789 A 45 ILE HG2% A 78 CYS HBx 1.0 . 4.6 1034 789 A 78 CYS HBy A 45 ILE HG2% 1.0 . 4.6 1035 790 A 24 GLU H A 22 ALA HB% 1.0 . 4.4 1036 791 A 23 ILE H A 74 VAL HGy% 1.0 . 4.2 1037 792 A 21 ILE HD1% A 21 ILE HB 1.0 . 4.0 1038 793 A 29 ALA HA A 30 GLU H 1.0 . 4.9 1039 794 A 77 VAL HGy% A 20 TYR HE% 1.0 . 4.8 1040 795 A 89 CYS HA A 34 HIS HE1 1.0 . 4.1 1041 796 A 33 VAL HB A 34 HIS HE1 1.0 . 5.4 1042 797 A 34 HIS HE1 A 86 CYS HBx 1.0 . 5.0 1043 797 A 86 CYS HBy A 34 HIS HE1 1.0 . 5.0 1044 798 A 34 HIS HA A 34 HIS HD2 1.0 . 4.6 1045 799 A 33 VAL HGy% A 34 HIS HD2 1.0 . 5.4 1046 800 A 38 TYR HE% A 81 LEU HDx% 1.0 . 4.4 1047 801 A 22 ALA HB% A 56 PHE HD% 1.0 . 4.8 1048 802 A 38 TYR HD% A 38 TYR HE% 1.0 . 4.2 1049 803 A 38 TYR HE% A 38 TYR HBx 1.0 . 5.5 1050 803 A 38 TYR HBy A 38 TYR HE% 1.0 . 5.5 1051 804 A 34 HIS HD2 A 86 CYS HBx 1.0 . 5.5 1052 804 A 86 CYS HBy A 34 HIS HD2 1.0 . 5.5 1053 805 A 74 VAL HGy% A 56 PHE HD% 1.0 . 4.1 1054 806 A 20 TYR HD% A 20 TYR HE% 1.0 . 3.1 1055 807 A 56 PHE HD% A 56 PHE HA 1.0 . 5.0 1056 808 A 56 PHE HD% A 56 PHE HBy 1.0 . 4.3 1057 808 A 56 PHE HBx A 56 PHE HD% 1.0 . 4.3 1058 809 A 34 HIS HD2 A 34 HIS HBy 1.0 . 4.6 1059 809 A 34 HIS HBx A 34 HIS HD2 1.0 . 4.6 1060 810 A 34 HIS HD2 A 34 HIS HBy 1.0 . 4.6 1061 810 A 34 HIS HBx A 34 HIS HD2 1.0 . 4.6 1062 811 A 56 PHE HD% A 56 PHE HBy 1.0 . 4.4 1063 811 A 56 PHE HBx A 56 PHE HD% 1.0 . 4.4 1064 812 A 77 VAL HA A 20 TYR HE% 1.0 . 4.7 1065 813 A 23 ILE HD1% A 20 TYR HE% 1.0 . 4.6 1066 814 A 20 TYR H A 20 TYR HD% 1.0 . 4.6 1067 815 A 38 TYR HE% A 23 ILE HD1% 1.0 . 4.3 1068 816 A 20 TYR HD% A 20 TYR HE% 1.0 . 3.4 1069 817 A 20 TYR HD% A 23 ILE HD1% 1.0 . 4.7 1070 818 A 20 TYR HD% A 20 TYR HBx 1.0 . 4.0 1071 818 A 20 TYR HBy A 20 TYR HD% 1.0 . 4.0 1072 819 A 81 LEU HDx% A 20 TYR HE% 1.0 . 4.6 1073 820 A 38 TYR HA A 38 TYR HD% 1.0 . 4.9 1074 821 A 77 VAL HGx% A 20 TYR HE% 1.0 . 4.7 1075 822 A 20 TYR HD% A 77 VAL HGx% 1.0 . 4.8 1076 823 A 38 TYR HD% A 38 TYR HBx 1.0 . 3.5 1077 823 A 38 TYR HBy A 38 TYR HD% 1.0 . 3.5 1078 824 A 30 GLU HA A 38 TYR HD% 1.0 . 4.2 1079 825 A 38 TYR HD% A 81 LEU HDx% 1.0 . 3.8 1080 826 A 38 TYR HD% A 37 THR HA 1.0 . 4.3 1081 827 A 38 TYR HD% A 81 LEU HDy% 1.0 . 4.4 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 86 CYS SG A 31 CYS SG 1.0 . 3.95 2 2 A 89 CYS SG A 31 CYS SG 1.0 . 3.95 3 3 A 86 CYS SG A 89 CYS SG 1.0 . 3.95 4 4 A 31 CYS SG A 34 HIS NE2 1.0 . 3.95 5 5 A 86 CYS SG A 34 HIS NE2 1.0 . 3.95 6 6 A 89 CYS SG A 34 HIS NE2 1.0 . 3.95 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 17 GLU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -72.0 -52.0 PHI 2 2 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 VAL N 1.0 -51.0 -31.0 PSI 3 3 A 18 ALA C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -76.5 -55.5 PHI 4 4 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 TYR N 1.0 -55.0 -35.0 PSI 5 5 A 19 VAL C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -71.0 -51.0 PHI 6 6 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ILE N 1.0 -52.5 -25.5 PSI 7 7 A 20 TYR C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -75.0 -55.0 PHI 8 8 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 ALA N 1.0 -53.0 -33.0 PSI 9 9 A 21 ILE C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -70.0 -50.0 PHI 10 10 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ILE N 1.0 -55.0 -35.0 PSI 11 11 A 22 ALA C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -106.5 -67.5 PHI 12 12 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLU N 1.0 -33.5 -6.5 PSI 13 13 A 23 ILE C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -103.5 -52.5 PHI 14 14 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 ALA N 1.0 -50.5 24.5 PSI 15 15 A 24 GLU C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -126.5 -51.5 PHI 16 16 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 GLY N 1.0 -26.5 24.5 PSI 17 17 A 26 GLY C A 27 THR N A 27 THR CA A 27 THR C 1.0 -94.0 -58.0 PHI 18 18 A 27 THR N A 27 THR CA A 27 THR C A 28 LEU N 1.0 -49.0 -29.0 PSI 19 19 A 27 THR C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -173.5 -122.5 PHI 20 20 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ALA N 1.0 141.5 174.5 PSI 21 21 A 28 LEU C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -159.0 -129.0 PHI 22 22 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 GLU N 1.0 126.0 168.0 PSI 23 23 A 29 ALA C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -164.0 -92.0 PHI 24 24 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 CYS N 1.0 113.0 149.0 PSI 25 25 A 31 CYS C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -113.0 -65.0 PHI 26 26 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 VAL N 1.0 -37.5 19.5 PSI 27 27 A 32 GLU C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -106.5 -79.5 PHI 28 28 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 HIS N 1.0 -29.0 -9.0 PSI 29 29 A 33 VAL C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -132.0 -48.0 PHI 30 30 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 GLU N 1.0 97.5 166.5 PSI 31 31 A 34 HIS C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -71.5 -38.5 PHI 32 32 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 GLY N 1.0 122.0 146.0 PSI 33 33 A 35 GLU C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 77.5 110.5 PHI 34 34 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 THR N 1.0 -32.0 4.0 PSI 35 35 A 36 GLY C A 37 THR N A 37 THR CA A 37 THR C 1.0 -108.0 -54.0 PHI 36 36 A 37 THR N A 37 THR CA A 37 THR C A 38 TYR N 1.0 116.0 158.0 PSI 37 37 A 37 THR C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -141.0 -93.0 PHI 38 38 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 PHE N 1.0 139.0 175.0 PSI 39 39 A 39 PHE C A 40 SER N A 40 SER CA A 40 SER C 1.0 -127.5 -40.5 PHI 40 40 A 40 SER N A 40 SER CA A 40 SER C A 41 ASP N 1.0 109.5 160.5 PSI 41 41 A 40 SER C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -148.0 -40.0 PHI 42 42 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 SER N 1.0 88.0 184.0 PSI 43 43 A 41 ASP C A 42 SER N A 42 SER CA A 42 SER C 1.0 -70.5 -43.5 PHI 44 44 A 42 SER N A 42 SER CA A 42 SER C A 43 GLY N 1.0 117.0 137.0 PSI 45 45 A 42 SER C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 74.5 107.5 PHI 46 46 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ASP N 1.0 -26.0 4.0 PSI 47 47 A 43 GLY C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -143.0 -59.0 PHI 48 48 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 ILE N 1.0 85.5 142.5 PSI 49 49 A 44 ASP C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -68.5 -41.5 PHI 50 50 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 SER N 1.0 -58.5 -13.5 PSI 51 51 A 45 ILE C A 46 SER N A 46 SER CA A 46 SER C 1.0 -72.0 -52.0 PHI 52 52 A 46 SER N A 46 SER CA A 46 SER C A 47 GLU N 1.0 -47.5 -26.5 PSI 53 53 A 46 SER C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -80.0 -60.0 PHI 54 54 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ALA N 1.0 -52.0 -28.0 PSI 55 55 A 47 GLU C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -76.0 -56.0 PHI 56 56 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 GLU N 1.0 -49.0 -25.0 PSI 57 57 A 48 ALA C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -74.0 -54.0 PHI 58 58 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 GLU N 1.0 -53.0 -33.0 PSI 59 59 A 49 GLU C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -72.0 -48.0 PHI 60 60 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LEU N 1.0 -58.5 -37.5 PSI 61 61 A 50 GLU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -76.0 -56.0 PHI 62 62 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ALA N 1.0 -51.0 -27.0 PSI 63 63 A 51 LEU C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -73.0 -53.0 PHI 64 64 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ARG N 1.0 -54.0 -34.0 PSI 65 65 A 52 ALA C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -72.0 -52.0 PHI 66 66 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 GLU N 1.0 -48.0 -28.0 PSI 67 67 A 53 ARG C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -76.0 -56.0 PHI 68 68 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LYS N 1.0 -54.0 -34.0 PSI 69 69 A 54 GLU C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -71.0 -51.0 PHI 70 70 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 PHE N 1.0 -52.0 -32.0 PSI 71 71 A 55 LYS C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -76.5 -55.5 PHI 72 72 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 GLU N 1.0 -51.5 -30.5 PSI 73 73 A 56 PHE C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -75.0 -55.0 PHI 74 74 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LYS N 1.0 -40.5 -13.5 PSI 75 75 A 57 GLU C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -118.0 -82.0 PHI 76 76 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLY N 1.0 -15.5 17.5 PSI 77 77 A 59 GLY C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -123.5 -54.5 PHI 78 78 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 VAL N 1.0 62.5 203.5 PSI 79 79 A 66 ASP C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -67.5 -46.5 PHI 80 80 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 GLU N 1.0 -60.0 -12.0 PSI 81 81 A 67 VAL C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -69.0 -49.0 PHI 82 82 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 GLU N 1.0 -53.5 -26.5 PSI 83 83 A 68 GLU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -77.0 -57.0 PHI 84 84 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 LEU N 1.0 -50.0 -30.0 PSI 85 85 A 69 GLU C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -76.0 -56.0 PHI 86 86 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 VAL N 1.0 -53.0 -29.0 PSI 87 87 A 70 LEU C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -75.0 -51.0 PHI 88 88 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 LYS N 1.0 -53.5 -32.5 PSI 89 89 A 71 VAL C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -69.0 -49.0 PHI 90 90 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 -52.0 -32.0 PSI 91 91 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -76.0 -56.0 PHI 92 92 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 VAL N 1.0 -56.0 -20.0 PSI 93 93 A 73 LYS C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -72.0 -48.0 PHI 94 94 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 VAL N 1.0 -57.0 -33.0 PSI 95 95 A 74 VAL C A 75 VAL N A 75 VAL CA A 75 VAL C 1.0 -73.5 -52.5 PHI 96 96 A 75 VAL N A 75 VAL CA A 75 VAL C A 76 ALA N 1.0 -55.5 -34.5 PSI 97 97 A 75 VAL C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -68.0 -48.0 PHI 98 98 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 VAL N 1.0 -54.0 -34.0 PSI 99 99 A 76 ALA C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -77.0 -57.0 PHI 100 100 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 CYS N 1.0 -48.0 -28.0 PSI 101 101 A 77 VAL C A 78 CYS N A 78 CYS CA A 78 CYS C 1.0 -73.0 -53.0 PHI 102 102 A 78 CYS N A 78 CYS CA A 78 CYS C A 79 GLU N 1.0 -50.0 -30.0 PSI 103 103 A 78 CYS C A 79 GLU N A 79 GLU CA A 79 GLU C 1.0 -74.0 -54.0 PHI 104 104 A 79 GLU N A 79 GLU CA A 79 GLU C A 80 GLU N 1.0 -56.5 -29.5 PSI 105 105 A 79 GLU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -77.0 -57.0 PHI 106 106 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 LEU N 1.0 -52.0 -22.0 PSI 107 107 A 80 GLU C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -119.5 -86.5 PHI 108 108 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLY N 1.0 -17.5 27.5 PSI 109 109 A 81 LEU C A 82 GLY N A 82 GLY CA A 82 GLY C 1.0 33.0 87.0 PHI 110 110 A 82 GLY N A 82 GLY CA A 82 GLY C A 83 ALA N 1.0 16.0 58.0 PSI 111 111 A 82 GLY C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -145.5 -70.5 PHI 112 112 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 GLU N 1.0 106.5 169.5 PSI 113 113 A 86 CYS C A 87 PHE N A 87 PHE CA A 87 PHE C 1.0 -88.0 -40.0 PHI 114 114 A 87 PHE N A 87 PHE CA A 87 PHE C A 88 SER N 1.0 -55.0 -1.0 PSI 115 115 A 87 PHE C A 88 SER N A 88 SER CA A 88 SER C 1.0 -70.0 -50.0 PHI 116 116 A 88 SER N A 88 SER CA A 88 SER C A 89 CYS N 1.0 -51.5 -18.5 PSI 117 117 A 89 CYS C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -118.0 -88.0 PHI 118 118 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 PHE N 1.0 -9.5 23.5 PSI 119 119 A 90 ASP C A 91 PHE N A 91 PHE CA A 91 PHE C 1.0 -97.5 -64.5 PHI 120 120 A 91 PHE N A 91 PHE CA A 91 PHE C A 92 ASP N 1.0 79.5 160.5 PSI stop_ save_ save_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3827.24072266 2 15N 1350.00000000 stop_ save_