data_nef_c25149_2mt5 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 PDB 2MT5 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 30 CYS SG 2 2 ZN ZN 1 45 CYS SG 2 1 ZN ZN 1 37 CYS SG 2 3 ZN ZN 1 59 CYS SG 2 3 ZN ZN 1 62 CYS SG 2 3 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 23 CYS SG 2 2 ZN ZN 1 12 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 2 SER middle . . 3 A 3 VAL middle . . 4 A 4 ALA middle . . 5 A 5 ASN middle . . 6 A 6 ASP middle . . 7 A 7 GLU middle . . 8 A 8 ASN middle . . 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 ILE middle . . 12 A 12 CYS middle -HG . 13 A 13 ARG middle . . 14 A 14 MET middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 ASN middle . . 18 A 18 GLY middle . false 19 A 19 CYS middle . . 20 A 20 CYS middle . . 21 A 21 PRO middle . false 22 A 22 ASP middle . . 23 A 23 CYS middle -HG . 24 A 24 LYS middle . . 25 A 25 VAL middle . . 26 A 26 PRO middle . false 27 A 27 GLY middle . false 28 A 28 ASP middle . . 29 A 29 ASP middle . . 30 A 30 CYS middle -HG . 31 A 31 PRO middle . false 32 A 32 LEU middle . . 33 A 33 VAL middle . . 34 A 34 TRP middle . . 35 A 35 GLY middle . false 36 A 36 GLN middle . . 37 A 37 CYS middle -HG . 38 A 38 SER middle . . 39 A 39 HIS middle . . 40 A 40 CYS middle . . 41 A 41 PHE middle . . 42 A 42 HIS middle . . 43 A 43 MET middle . . 44 A 44 HIS middle . . 45 A 45 CYS middle -HG . 46 A 46 ILE middle . . 47 A 47 LEU middle . . 48 A 48 LYS middle . . 49 A 49 TRP middle . . 50 A 50 LEU middle . . 51 A 51 HIS middle . . 52 A 52 ALA middle . . 53 A 53 GLN middle . . 54 A 54 GLN middle . . 55 A 55 VAL middle . . 56 A 56 GLN middle . . 57 A 57 GLN middle . . 58 A 58 HIS middle . . 59 A 59 CYS middle -HG . 60 A 60 PRO middle . false 61 A 61 MET middle . . 62 A 62 CYS middle -HG . 63 A 63 ARG middle . . 64 A 64 GLN middle . . 65 A 65 GLU middle . . 66 A 66 TRP middle . . 67 A 67 LYS middle . . 68 A 68 PHE middle . . 69 A 69 LYS middle . . 70 A 70 GLU end . . 71 B 1 ZN . . . 72 B 2 ZN . . . 73 B 3 ZN . . . 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 1 GLY HAy H 1 4.119 0.02 A 1 GLY HAx H 1 3.598 0.02 A 1 GLY CA C 13 46.957 0.4 A 2 SER HA H 1 4.417 0.02 A 2 SER HBx H 1 4.411 0.02 A 2 SER HBy H 1 4.411 0.02 A 2 SER CA C 13 58.322 0.4 A 2 SER CB C 13 64.169 0.4 A 3 VAL H H 1 8.17 0.02 A 3 VAL HA H 1 4.046 0.02 A 3 VAL HB H 1 1.949 0.02 A 3 VAL HGx% H 1 0.768 0.02 A 3 VAL HGy% H 1 0.768 0.02 A 3 VAL C C 13 175.879 0.4 A 3 VAL CA C 13 62.138 0.4 A 3 VAL CB C 13 32.958 0.4 A 3 VAL CG1 C 13 21.134 0.4 A 3 VAL N N 15 121.214 0.4 A 4 ALA H H 1 8.294 0.02 A 4 ALA HA H 1 4.197 0.02 A 4 ALA HB% H 1 1.243 0.02 A 4 ALA C C 13 177.497 0.4 A 4 ALA CA C 13 52.439 0.4 A 4 ALA CB C 13 19.424 0.4 A 4 ALA N N 15 127.312 0.4 A 5 ASN H H 1 8.252 0.02 A 5 ASN HA H 1 4.565 0.02 A 5 ASN HBy H 1 2.694 0.02 A 5 ASN HBx H 1 2.622 0.02 A 5 ASN HD2y H 1 7.478 0.02 A 5 ASN HD2x H 1 6.78 0.02 A 5 ASN C C 13 175.048 0.4 A 5 ASN CA C 13 53.725 0.4 A 5 ASN CB C 13 39.197 0.4 A 5 ASN N N 15 117.674 0.4 A 5 ASN ND2 N 15 112.513 0.4 A 6 ASP H H 1 8.215 0.02 A 6 ASP HA H 1 4.52 0.02 A 6 ASP HBx H 1 2.597 0.02 A 6 ASP HBy H 1 2.597 0.02 A 6 ASP C C 13 176.269 0.4 A 6 ASP CA C 13 54.497 0.4 A 6 ASP CB C 13 41.104 0.4 A 6 ASP N N 15 119.896 0.4 A 7 GLU H H 1 8.065 0.02 A 7 GLU HA H 1 4.243 0.02 A 7 GLU HBy H 1 1.983 0.02 A 7 GLU HBx H 1 1.76 0.02 A 7 GLU HGx H 1 2.139 0.02 A 7 GLU HGy H 1 2.139 0.02 A 7 GLU C C 13 175.006 0.4 A 7 GLU CA C 13 56.689 0.4 A 7 GLU CB C 13 30.379 0.4 A 7 GLU CG C 13 36.271 0.4 A 7 GLU N N 15 119.101 0.4 A 8 ASN H H 1 7.505 0.02 A 8 ASN HA H 1 4.158 0.02 A 8 ASN HBy H 1 2.036 0.02 A 8 ASN HBx H 1 1.67 0.02 A 8 ASN HD2y H 1 6.913 0.02 A 8 ASN HD2x H 1 6.379 0.02 A 8 ASN C C 13 172.706 0.4 A 8 ASN CA C 13 51.165 0.4 A 8 ASN CB C 13 40.702 0.4 A 8 ASN N N 15 116.852 0.4 A 8 ASN ND2 N 15 111.387 0.4 A 9 CYS H H 1 7.614 0.02 A 9 CYS HA H 1 3.794 0.02 A 9 CYS HBy H 1 3.392 0.02 A 9 CYS HBx H 1 2.11 0.02 A 9 CYS C C 13 178.37 0.4 A 9 CYS CA C 13 59.552 0.4 A 9 CYS CB C 13 31.526 0.4 A 9 CYS N N 15 122.855 0.4 A 10 GLY H H 1 9.235 0.02 A 10 GLY HAy H 1 3.91 0.02 A 10 GLY HAx H 1 3.795 0.02 A 10 GLY C C 13 174.111 0.4 A 10 GLY CA C 13 46.967 0.4 A 10 GLY N N 15 117.295 0.4 A 11 ILE H H 1 8.285 0.02 A 11 ILE HA H 1 3.809 0.02 A 11 ILE HB H 1 1.491 0.02 A 11 ILE HD1% H 1 -0.137 0.02 A 11 ILE HG1y H 1 1.067 0.02 A 11 ILE HG1x H 1 0.146 0.02 A 11 ILE HG2% H 1 0.789 0.02 A 11 ILE C C 13 176.121 0.4 A 11 ILE CA C 13 64.041 0.4 A 11 ILE CB C 13 39.411 0.4 A 11 ILE CD1 C 13 13.344 0.4 A 11 ILE CG1 C 13 28.154 0.4 A 11 ILE CG2 C 13 16.803 0.4 A 11 ILE N N 15 119.811 0.4 A 12 CYS H H 1 7.607 0.02 A 12 CYS HA H 1 4.576 0.02 A 12 CYS HBy H 1 3.021 0.02 A 12 CYS HBx H 1 2.971 0.02 A 12 CYS C C 13 175.975 0.4 A 12 CYS CA C 13 59.225 0.4 A 12 CYS CB C 13 32.246 0.4 A 12 CYS N N 15 116.728 0.4 A 13 ARG H H 1 7.987 0.02 A 13 ARG HA H 1 3.742 0.02 A 13 ARG HBy H 1 2.004 0.02 A 13 ARG HBx H 1 1.827 0.02 A 13 ARG HDx H 1 2.982 0.02 A 13 ARG HDy H 1 2.982 0.02 A 13 ARG HGy H 1 1.338 0.02 A 13 ARG HGx H 1 1.281 0.02 A 13 ARG C C 13 174.979 0.4 A 13 ARG CA C 13 57.636 0.4 A 13 ARG CB C 13 26.326 0.4 A 13 ARG CD C 13 42.941 0.4 A 13 ARG CG C 13 27.591 0.4 A 13 ARG N N 15 116.073 0.4 A 14 MET H H 1 8.624 0.02 A 14 MET HA H 1 4.547 0.02 A 14 MET HBy H 1 2.35 0.02 A 14 MET HBx H 1 2.192 0.02 A 14 MET HE% H 1 1.916 0.02 A 14 MET HGy H 1 2.467 0.02 A 14 MET HGx H 1 2.316 0.02 A 14 MET C C 13 176.143 0.4 A 14 MET CA C 13 54.208 0.4 A 14 MET CB C 13 33.951 0.4 A 14 MET CE C 13 17.076 0.4 A 14 MET CG C 13 32.566 0.4 A 14 MET N N 15 119.313 0.4 A 15 ALA H H 1 7.965 0.02 A 15 ALA HA H 1 4.272 0.02 A 15 ALA HB% H 1 1.286 0.02 A 15 ALA C C 13 180.117 0.4 A 15 ALA CA C 13 52.346 0.4 A 15 ALA CB C 13 19.487 0.4 A 15 ALA N N 15 122.683 0.4 A 16 PHE H H 1 8.095 0.02 A 16 PHE HA H 1 4.041 0.02 A 16 PHE HBy H 1 2.945 0.02 A 16 PHE HBx H 1 2.665 0.02 A 16 PHE HD1 H 1 6.589 0.02 A 16 PHE HD2 H 1 6.589 0.02 A 16 PHE HE1 H 1 6.821 0.02 A 16 PHE HE2 H 1 6.821 0.02 A 16 PHE HZ H 1 6.706 0.02 A 16 PHE C C 13 176.423 0.4 A 16 PHE CA C 13 59.13 0.4 A 16 PHE CB C 13 38.39 0.4 A 16 PHE CD1 C 13 130.342 0.4 A 16 PHE CE1 C 13 130.257 0.4 A 16 PHE CZ C 13 129.917 0.4 A 16 PHE N N 15 119.313 0.4 A 17 ASN H H 1 7.823 0.02 A 17 ASN HA H 1 4.636 0.02 A 17 ASN HBy H 1 2.843 0.02 A 17 ASN HBx H 1 2.715 0.02 A 17 ASN HD2y H 1 7.427 0.02 A 17 ASN HD2x H 1 6.654 0.02 A 17 ASN C C 13 175.337 0.4 A 17 ASN CA C 13 52.961 0.4 A 17 ASN CB C 13 37.174 0.4 A 17 ASN N N 15 112.313 0.4 A 17 ASN ND2 N 15 110.405 0.4 A 18 GLY H H 1 7.579 0.02 A 18 GLY HAy H 1 4.344 0.02 A 18 GLY HAx H 1 3.835 0.02 A 18 GLY C C 13 173.759 0.4 A 18 GLY CA C 13 44.464 0.4 A 18 GLY N N 15 107.742 0.4 A 19 CYS H H 1 8.198 0.02 A 19 CYS HA H 1 4.571 0.02 A 19 CYS HBx H 1 2.788 0.02 A 19 CYS HBy H 1 2.788 0.02 A 19 CYS C C 13 174.039 0.4 A 19 CYS CA C 13 58.433 0.4 A 19 CYS CB C 13 30.681 0.4 A 19 CYS N N 15 117.05 0.4 A 20 CYS H H 1 8.466 0.02 A 20 CYS HA H 1 4.011 0.02 A 20 CYS HBy H 1 3.332 0.02 A 20 CYS HBx H 1 1.825 0.02 A 20 CYS C C 13 173.736 0.4 A 20 CYS CA C 13 57.999 0.4 A 20 CYS CB C 13 28.205 0.4 A 20 CYS N N 15 123.923 0.4 A 21 PRO HA H 1 4.029 0.02 A 21 PRO HBx H 1 2.266 0.02 A 21 PRO HBy H 1 2.266 0.02 A 21 PRO HDy H 1 3.867 0.02 A 21 PRO HDx H 1 3.268 0.02 A 21 PRO HGx H 1 1.835 0.02 A 21 PRO HGy H 1 1.835 0.02 A 21 PRO CA C 13 65.426 0.4 A 21 PRO CB C 13 32.801 0.4 A 21 PRO CD C 13 50.384 0.4 A 21 PRO CG C 13 28.821 0.4 A 22 ASP H H 1 8.395 0.02 A 22 ASP HA H 1 4.505 0.02 A 22 ASP HBy H 1 2.586 0.02 A 22 ASP HBx H 1 2.275 0.02 A 22 ASP C C 13 176.501 0.4 A 22 ASP CA C 13 55.017 0.4 A 22 ASP CB C 13 42.522 0.4 A 22 ASP N N 15 117.053 0.4 A 23 CYS H H 1 7.246 0.02 A 23 CYS HA H 1 4.293 0.02 A 23 CYS HBy H 1 3.018 0.02 A 23 CYS HBx H 1 2.553 0.02 A 23 CYS C C 13 175.214 0.4 A 23 CYS CA C 13 61.633 0.4 A 23 CYS CB C 13 31.542 0.4 A 23 CYS N N 15 123.353 0.4 A 24 LYS H H 1 8.173 0.02 A 24 LYS HA H 1 4.23 0.02 A 24 LYS HBy H 1 1.773 0.02 A 24 LYS HBx H 1 1.603 0.02 A 24 LYS HDx H 1 1.505 0.02 A 24 LYS HDy H 1 1.505 0.02 A 24 LYS HEx H 1 2.848 0.02 A 24 LYS HEy H 1 2.848 0.02 A 24 LYS HGx H 1 1.239 0.02 A 24 LYS HGy H 1 1.239 0.02 A 24 LYS C C 13 177.106 0.4 A 24 LYS CA C 13 56.921 0.4 A 24 LYS CB C 13 34.615 0.4 A 24 LYS CD C 13 28.892 0.4 A 24 LYS CE C 13 41.813 0.4 A 24 LYS CG C 13 24.806 0.4 A 24 LYS N N 15 117.539 0.4 A 25 VAL H H 1 7.787 0.02 A 25 VAL HA H 1 4.429 0.02 A 25 VAL HB H 1 2.014 0.02 A 25 VAL HGx% H 1 0.844 0.02 A 25 VAL HGy% H 1 0.769 0.02 A 25 VAL C C 13 174.027 0.4 A 25 VAL CA C 13 59.934 0.4 A 25 VAL CB C 13 33.507 0.4 A 25 VAL CG1 C 13 21.04 0.4 A 25 VAL CG2 C 13 20.595 0.4 A 25 VAL N N 15 120.661 0.4 A 26 PRO HA H 1 4.336 0.02 A 26 PRO HBx H 1 1.835 0.02 A 26 PRO HBy H 1 2.114 0.02 A 26 PRO HDy H 1 3.681 0.02 A 26 PRO HDx H 1 3.611 0.02 A 26 PRO HGx H 1 1.935 0.02 A 26 PRO HGy H 1 1.935 0.02 A 26 PRO CA C 13 63.279 0.4 A 26 PRO CB C 13 32.077 0.4 A 26 PRO CD C 13 51.044 0.4 A 26 PRO CG C 13 27.141 0.4 A 27 GLY H H 1 8.569 0.02 A 27 GLY HAy H 1 4.244 0.02 A 27 GLY HAx H 1 3.542 0.02 A 27 GLY C C 13 175.169 0.4 A 27 GLY CA C 13 45.042 0.4 A 27 GLY N N 15 109.926 0.4 A 28 ASP H H 1 8.214 0.02 A 28 ASP HA H 1 4.231 0.02 A 28 ASP HBy H 1 2.631 0.02 A 28 ASP HBx H 1 2.498 0.02 A 28 ASP C C 13 176.602 0.4 A 28 ASP CA C 13 56.402 0.4 A 28 ASP CB C 13 40.912 0.4 A 28 ASP N N 15 122.592 0.4 A 29 ASP H H 1 8.271 0.02 A 29 ASP HA H 1 4.447 0.02 A 29 ASP HBy H 1 2.721 0.02 A 29 ASP HBx H 1 2.497 0.02 A 29 ASP C C 13 175.505 0.4 A 29 ASP CA C 13 55.266 0.4 A 29 ASP CB C 13 41.225 0.4 A 29 ASP N N 15 117.5 0.4 A 30 CYS H H 1 7.912 0.02 A 30 CYS HA H 1 4.39 0.02 A 30 CYS HBy H 1 2.993 0.02 A 30 CYS HBx H 1 2.934 0.02 A 30 CYS C C 13 171.755 0.4 A 30 CYS CA C 13 57.676 0.4 A 30 CYS CB C 13 29.154 0.4 A 30 CYS N N 15 124.47 0.4 A 31 PRO HA H 1 4.687 0.02 A 31 PRO HBx H 1 1.992 0.02 A 31 PRO HBy H 1 2.255 0.02 A 31 PRO HDy H 1 3.248 0.02 A 31 PRO HDx H 1 3.159 0.02 A 31 PRO HGy H 1 1.93 0.02 A 31 PRO HGx H 1 1.65 0.02 A 31 PRO CA C 13 62.875 0.4 A 31 PRO CB C 13 33.984 0.4 A 31 PRO CD C 13 49.586 0.4 A 31 PRO CG C 13 26.639 0.4 A 32 LEU H H 1 8.58 0.02 A 32 LEU HA H 1 4.716 0.02 A 32 LEU HBy H 1 1.378 0.02 A 32 LEU HBx H 1 0.421 0.02 A 32 LEU HDx% H 1 0.449 0.02 A 32 LEU HDy% H 1 0.566 0.02 A 32 LEU HG H 1 1.621 0.02 A 32 LEU C C 13 176.3 0.4 A 32 LEU CA C 13 53.921 0.4 A 32 LEU CB C 13 43.336 0.4 A 32 LEU CD1 C 13 24.935 0.4 A 32 LEU CD2 C 13 22.606 0.4 A 32 LEU CG C 13 26.956 0.4 A 32 LEU N N 15 120.023 0.4 A 33 VAL H H 1 8.594 0.02 A 33 VAL HA H 1 4.663 0.02 A 33 VAL HB H 1 2.201 0.02 A 33 VAL HGx% H 1 1.272 0.02 A 33 VAL HGy% H 1 1.039 0.02 A 33 VAL C C 13 171.374 0.4 A 33 VAL CA C 13 60.449 0.4 A 33 VAL CB C 13 36.448 0.4 A 33 VAL CG1 C 13 21.919 0.4 A 33 VAL CG2 C 13 21.745 0.4 A 33 VAL N N 15 116.217 0.4 A 34 TRP H H 1 8.756 0.02 A 34 TRP HA H 1 5.339 0.02 A 34 TRP HBy H 1 2.959 0.02 A 34 TRP HBx H 1 2.9 0.02 A 34 TRP HD1 H 1 6.89 0.02 A 34 TRP HE1 H 1 9.929 0.02 A 34 TRP HE3 H 1 7.175 0.02 A 34 TRP HH2 H 1 6.893 0.02 A 34 TRP HZ2 H 1 7.084 0.02 A 34 TRP HZ3 H 1 7.441 0.02 A 34 TRP C C 13 176.77 0.4 A 34 TRP CA C 13 57.267 0.4 A 34 TRP CB C 13 33.78 0.4 A 34 TRP CD1 C 13 126.649 0.4 A 34 TRP CE3 C 13 119.436 0.4 A 34 TRP CH2 C 13 124.704 0.4 A 34 TRP CZ2 C 13 115.258 0.4 A 34 TRP CZ3 C 13 121.117 0.4 A 34 TRP N N 15 122.711 0.4 A 34 TRP NE1 N 15 129.149 0.4 A 35 GLY H H 1 8.857 0.02 A 35 GLY HAy H 1 4.008 0.02 A 35 GLY HAx H 1 2.905 0.02 A 35 GLY C C 13 177.397 0.4 A 35 GLY CA C 13 44.07 0.4 A 35 GLY N N 15 107.569 0.4 A 36 GLN H H 1 8.338 0.02 A 36 GLN HA H 1 3.746 0.02 A 36 GLN HBy H 1 1.865 0.02 A 36 GLN HBx H 1 1.621 0.02 A 36 GLN HE2y H 1 7.132 0.02 A 36 GLN HE2x H 1 6.805 0.02 A 36 GLN HGy H 1 2.119 0.02 A 36 GLN HGx H 1 2.071 0.02 A 36 GLN C C 13 176.445 0.4 A 36 GLN CA C 13 58.429 0.4 A 36 GLN CB C 13 27.631 0.4 A 36 GLN CG C 13 33.912 0.4 A 36 GLN N N 15 122.723 0.4 A 36 GLN NE2 N 15 110.613 0.4 A 37 CYS H H 1 7.622 0.02 A 37 CYS HA H 1 4.284 0.02 A 37 CYS HBy H 1 3.192 0.02 A 37 CYS HBx H 1 2.502 0.02 A 37 CYS C C 13 175.281 0.4 A 37 CYS CA C 13 58.395 0.4 A 37 CYS CB C 13 31.143 0.4 A 37 CYS N N 15 115.763 0.4 A 38 SER H H 1 7.716 0.02 A 38 SER HA H 1 4.004 0.02 A 38 SER HBx H 1 3.834 0.02 A 38 SER HBy H 1 3.834 0.02 A 38 SER C C 13 173.389 0.4 A 38 SER CA C 13 62.285 0.4 A 38 SER N N 15 114.54 0.4 A 39 HIS H H 1 7.829 0.02 A 39 HIS HA H 1 4.444 0.02 A 39 HIS HBy H 1 3.216 0.02 A 39 HIS HBx H 1 2.735 0.02 A 39 HIS HD2 H 1 7.18 0.02 A 39 HIS HE1 H 1 7.688 0.02 A 39 HIS C C 13 172.326 0.4 A 39 HIS CA C 13 61.32 0.4 A 39 HIS CB C 13 31.523 0.4 A 39 HIS CD2 C 13 119.367 0.4 A 39 HIS CE1 C 13 138.078 0.4 A 39 HIS N N 15 121.947 0.4 A 40 CYS H H 1 8.049 0.02 A 40 CYS HA H 1 4.609 0.02 A 40 CYS HBy H 1 1.478 0.02 A 40 CYS HBx H 1 1.309 0.02 A 40 CYS C C 13 171.9 0.4 A 40 CYS CA C 13 55.791 0.4 A 40 CYS CB C 13 28.964 0.4 A 40 CYS N N 15 121.859 0.4 A 41 PHE H H 1 8.368 0.02 A 41 PHE HA H 1 5.177 0.02 A 41 PHE HBy H 1 3.272 0.02 A 41 PHE HBx H 1 1.933 0.02 A 41 PHE HD1 H 1 7.158 0.02 A 41 PHE HD2 H 1 7.158 0.02 A 41 PHE HE1 H 1 7.115 0.02 A 41 PHE HE2 H 1 7.115 0.02 A 41 PHE HZ H 1 6.911 0.02 A 41 PHE C C 13 176.613 0.4 A 41 PHE CA C 13 56.033 0.4 A 41 PHE CB C 13 45.76 0.4 A 41 PHE CD1 C 13 133.004 0.4 A 41 PHE CE1 C 13 133.147 0.4 A 41 PHE CZ C 13 129.172 0.4 A 41 PHE N N 15 120.69 0.4 A 42 HIS H H 1 8.384 0.02 A 42 HIS HA H 1 4.669 0.02 A 42 HIS HBy H 1 4.11 0.02 A 42 HIS HBx H 1 3.611 0.02 A 42 HIS HD2 H 1 7.302 0.02 A 42 HIS HE1 H 1 6.908 0.02 A 42 HIS C C 13 177.464 0.4 A 42 HIS CA C 13 60.425 0.4 A 42 HIS CB C 13 29.74 0.4 A 42 HIS CD2 C 13 120.581 0.4 A 42 HIS CE1 C 13 138.302 0.4 A 42 HIS N N 15 117.057 0.4 A 43 MET H H 1 9.439 0.02 A 43 MET HA H 1 3.965 0.02 A 43 MET HBy H 1 1.801 0.02 A 43 MET HBx H 1 1.674 0.02 A 43 MET HE% H 1 1.926 0.02 A 43 MET HGy H 1 2.398 0.02 A 43 MET HGx H 1 2.297 0.02 A 43 MET C C 13 177.845 0.4 A 43 MET CA C 13 59.209 0.4 A 43 MET CB C 13 33.009 0.4 A 43 MET CE C 13 17.94 0.4 A 43 MET CG C 13 31.839 0.4 A 43 MET N N 15 128.543 0.4 A 44 HIS H H 1 9.747 0.02 A 44 HIS HA H 1 4.256 0.02 A 44 HIS HBy H 1 3.434 0.02 A 44 HIS HBx H 1 3.265 0.02 A 44 HIS HD2 H 1 6.774 0.02 A 44 HIS HE1 H 1 8.246 0.02 A 44 HIS C C 13 178.405 0.4 A 44 HIS CA C 13 58.793 0.4 A 44 HIS CB C 13 32.747 0.4 A 44 HIS CD2 C 13 116.134 0.4 A 44 HIS CE1 C 13 140.435 0.4 A 44 HIS N N 15 116.5 0.4 A 45 CYS H H 1 6.845 0.02 A 45 CYS HA H 1 4 0.02 A 45 CYS HBy H 1 3.117 0.02 A 45 CYS HBx H 1 2.808 0.02 A 45 CYS C C 13 177.957 0.4 A 45 CYS CA C 13 62.923 0.4 A 45 CYS CB C 13 29.102 0.4 A 45 CYS N N 15 115.95 0.4 A 46 ILE H H 1 7.816 0.02 A 46 ILE HA H 1 3.665 0.02 A 46 ILE HB H 1 1.027 0.02 A 46 ILE HD1% H 1 -0.813 0.02 A 46 ILE HG1y H 1 0.26 0.02 A 46 ILE HG1x H 1 -0.178 0.02 A 46 ILE HG2% H 1 0.895 0.02 A 46 ILE C C 13 176.613 0.4 A 46 ILE CA C 13 60.242 0.4 A 46 ILE CB C 13 37.319 0.4 A 46 ILE CD1 C 13 12.194 0.4 A 46 ILE CG1 C 13 29.057 0.4 A 46 ILE CG2 C 13 19.82 0.4 A 46 ILE N N 15 119.362 0.4 A 47 LEU H H 1 8.266 0.02 A 47 LEU HA H 1 3.873 0.02 A 47 LEU HBy H 1 1.785 0.02 A 47 LEU HBx H 1 1.274 0.02 A 47 LEU HDx% H 1 0.878 0.02 A 47 LEU HDy% H 1 0.881 0.02 A 47 LEU HG H 1 1.534 0.02 A 47 LEU C C 13 179.726 0.4 A 47 LEU CA C 13 58.633 0.4 A 47 LEU CB C 13 41.123 0.4 A 47 LEU CD1 C 13 22.42 0.4 A 47 LEU CD2 C 13 25.888 0.4 A 47 LEU CG C 13 25.76 0.4 A 47 LEU N N 15 122.18 0.4 A 48 LYS H H 1 7.147 0.02 A 48 LYS HA H 1 3.864 0.02 A 48 LYS HBy H 1 1.882 0.02 A 48 LYS HBx H 1 1.847 0.02 A 48 LYS HDx H 1 1.573 0.02 A 48 LYS HDy H 1 1.573 0.02 A 48 LYS HEx H 1 2.826 0.02 A 48 LYS HEy H 1 2.826 0.02 A 48 LYS HGx H 1 1.306 0.02 A 48 LYS HGy H 1 1.306 0.02 A 48 LYS C C 13 179.423 0.4 A 48 LYS CA C 13 59.987 0.4 A 48 LYS CB C 13 32.765 0.4 A 48 LYS CD C 13 29.744 0.4 A 48 LYS CE C 13 41.829 0.4 A 48 LYS CG C 13 25.816 0.4 A 48 LYS N N 15 118.251 0.4 A 49 TRP H H 1 7.709 0.02 A 49 TRP HA H 1 4.08 0.02 A 49 TRP HBx H 1 3.026 0.02 A 49 TRP HBy H 1 3.026 0.02 A 49 TRP HD1 H 1 6.41 0.02 A 49 TRP HE1 H 1 9.761 0.02 A 49 TRP HE3 H 1 7.337 0.02 A 49 TRP HH2 H 1 7.003 0.02 A 49 TRP HZ2 H 1 7.083 0.02 A 49 TRP HZ3 H 1 6.956 0.02 A 49 TRP C C 13 178.147 0.4 A 49 TRP CA C 13 60.545 0.4 A 49 TRP CB C 13 29.415 0.4 A 49 TRP CD1 C 13 126.092 0.4 A 49 TRP CE3 C 13 123.186 0.4 A 49 TRP CH2 C 13 124.77 0.4 A 49 TRP CZ2 C 13 114.267 0.4 A 49 TRP CZ3 C 13 122.625 0.4 A 49 TRP N N 15 120.745 0.4 A 49 TRP NE1 N 15 128.685 0.4 A 50 LEU H H 1 8.512 0.02 A 50 LEU HA H 1 3.605 0.02 A 50 LEU HBy H 1 1.55 0.02 A 50 LEU HBx H 1 1.263 0.02 A 50 LEU HDx% H 1 0.422 0.02 A 50 LEU HDy% H 1 0.328 0.02 A 50 LEU HG H 1 1.531 0.02 A 50 LEU C C 13 179.658 0.4 A 50 LEU CA C 13 57.33 0.4 A 50 LEU CB C 13 41.416 0.4 A 50 LEU CD1 C 13 21.569 0.4 A 50 LEU CD2 C 13 26.101 0.4 A 50 LEU CG C 13 26.101 0.4 A 50 LEU N N 15 117.236 0.4 A 51 HIS H H 1 7.713 0.02 A 51 HIS HA H 1 4.274 0.02 A 51 HIS HBx H 1 3.056 0.02 A 51 HIS HBy H 1 3.056 0.02 A 51 HIS HD2 H 1 7.298 0.02 A 51 HIS HE1 H 1 7.96 0.02 A 51 HIS C C 13 175.942 0.4 A 51 HIS CA C 13 57.32 0.4 A 51 HIS CB C 13 29.487 0.4 A 51 HIS CD2 C 13 120.258 0.4 A 51 HIS CE1 C 13 137.361 0.4 A 51 HIS N N 15 115.65 0.4 A 52 ALA H H 1 7.191 0.02 A 52 ALA HA H 1 4.023 0.02 A 52 ALA HB% H 1 1.168 0.02 A 52 ALA C C 13 177.834 0.4 A 52 ALA CA C 13 52.865 0.4 A 52 ALA CB C 13 18.951 0.4 A 52 ALA N N 15 119.779 0.4 A 53 GLN H H 1 7.317 0.02 A 53 GLN HA H 1 3.933 0.02 A 53 GLN HBx H 1 1.563 0.02 A 53 GLN HBy H 1 1.563 0.02 A 53 GLN HE2y H 1 6.423 0.02 A 53 GLN HE2x H 1 5.681 0.02 A 53 GLN HGy H 1 1.714 0.02 A 53 GLN HGx H 1 1.57 0.02 A 53 GLN C C 13 175.998 0.4 A 53 GLN CA C 13 55.482 0.4 A 53 GLN CB C 13 28.887 0.4 A 53 GLN CG C 13 32.998 0.4 A 53 GLN N N 15 117.047 0.4 A 53 GLN NE2 N 15 110.677 0.4 A 54 GLN H H 1 7.949 0.02 A 54 GLN HA H 1 3.989 0.02 A 54 GLN HBy H 1 1.951 0.02 A 54 GLN HBx H 1 1.813 0.02 A 54 GLN HE2y H 1 7.248 0.02 A 54 GLN HE2x H 1 6.579 0.02 A 54 GLN HGx H 1 2.135 0.02 A 54 GLN HGy H 1 2.135 0.02 A 54 GLN C C 13 176.3 0.4 A 54 GLN CA C 13 57.314 0.4 A 54 GLN CB C 13 28.823 0.4 A 54 GLN CG C 13 34.12 0.4 A 54 GLN N N 15 118.463 0.4 A 54 GLN NE2 N 15 111.975 0.4 A 55 VAL H H 1 7.801 0.02 A 55 VAL HA H 1 3.884 0.02 A 55 VAL HB H 1 1.997 0.02 A 55 VAL HGx% H 1 0.739 0.02 A 55 VAL HGy% H 1 0.739 0.02 A 55 VAL C C 13 175.774 0.4 A 55 VAL CA C 13 63.21 0.4 A 55 VAL CB C 13 32.87 0.4 A 55 VAL CG1 C 13 20.375 0.4 A 55 VAL N N 15 116.755 0.4 A 56 GLN H H 1 8.018 0.02 A 56 GLN HA H 1 4.117 0.02 A 56 GLN HBx H 1 1.674 0.02 A 56 GLN HBy H 1 1.674 0.02 A 56 GLN HE2y H 1 7.335 0.02 A 56 GLN HE2x H 1 6.592 0.02 A 56 GLN HGx H 1 2.036 0.02 A 56 GLN HGy H 1 2.036 0.02 A 56 GLN C C 13 175.236 0.4 A 56 GLN CA C 13 55.697 0.4 A 56 GLN CB C 13 29.319 0.4 A 56 GLN CG C 13 34.051 0.4 A 56 GLN N N 15 120.192 0.4 A 56 GLN NE2 N 15 111.493 0.4 A 57 GLN H H 1 8.471 0.02 A 57 GLN HA H 1 4.204 0.02 A 57 GLN HBy H 1 2.011 0.02 A 57 GLN HBx H 1 1.837 0.02 A 57 GLN HE2y H 1 7.221 0.02 A 57 GLN HE2x H 1 6.701 0.02 A 57 GLN HGy H 1 2.23 0.02 A 57 GLN HGx H 1 2.148 0.02 A 57 GLN C C 13 175.819 0.4 A 57 GLN CA C 13 55.617 0.4 A 57 GLN CB C 13 29.094 0.4 A 57 GLN CG C 13 33.956 0.4 A 57 GLN N N 15 121.276 0.4 A 57 GLN NE2 N 15 111.982 0.4 A 58 HIS H H 1 8.366 0.02 A 58 HIS HA H 1 5.174 0.02 A 58 HIS HBx H 1 2.776 0.02 A 58 HIS HBy H 1 2.776 0.02 A 58 HIS HD2 H 1 7.174 0.02 A 58 HIS HE1 H 1 7.71 0.02 A 58 HIS C C 13 173.636 0.4 A 58 HIS CA C 13 54.353 0.4 A 58 HIS CB C 13 33.057 0.4 A 58 HIS CD2 C 13 119.084 0.4 A 58 HIS CE1 C 13 138.302 0.4 A 58 HIS N N 15 120.001 0.4 A 59 CYS H H 1 9.035 0.02 A 59 CYS HA H 1 4.442 0.02 A 59 CYS HBx H 1 3.349 0.02 A 59 CYS HBy H 1 3.349 0.02 A 59 CYS C C 13 176.334 0.4 A 59 CYS CA C 13 56.772 0.4 A 59 CYS CB C 13 32.642 0.4 A 59 CYS N N 15 121.924 0.4 A 60 PRO HA H 1 3.813 0.02 A 60 PRO HBx H 1 0.237 0.02 A 60 PRO HBy H 1 0.93 0.02 A 60 PRO HDy H 1 3.332 0.02 A 60 PRO HDx H 1 2.539 0.02 A 60 PRO HGy H 1 0.531 0.02 A 60 PRO HGx H 1 -0.366 0.02 A 60 PRO CA C 13 64.661 0.4 A 60 PRO CB C 13 30.659 0.4 A 60 PRO CD C 13 50.062 0.4 A 60 PRO CG C 13 25.793 0.4 A 61 MET H H 1 9.135 0.02 A 61 MET HA H 1 4.317 0.02 A 61 MET HBy H 1 1.348 0.02 A 61 MET HBx H 1 1.09 0.02 A 61 MET HE% H 1 1.808 0.02 A 61 MET HGy H 1 2.271 0.02 A 61 MET HGx H 1 2.143 0.02 A 61 MET C C 13 177.117 0.4 A 61 MET CA C 13 56.408 0.4 A 61 MET CB C 13 32.551 0.4 A 61 MET CE C 13 17.018 0.4 A 61 MET CG C 13 32.314 0.4 A 61 MET N N 15 117.676 0.4 A 62 CYS H H 1 8.011 0.02 A 62 CYS HA H 1 4.874 0.02 A 62 CYS HBy H 1 3.368 0.02 A 62 CYS HBx H 1 2.777 0.02 A 62 CYS C C 13 175.74 0.4 A 62 CYS CA C 13 58.273 0.4 A 62 CYS CB C 13 32.776 0.4 A 62 CYS N N 15 117.214 0.4 A 63 ARG H H 1 8.086 0.02 A 63 ARG HA H 1 3.925 0.02 A 63 ARG HBy H 1 1.943 0.02 A 63 ARG HBx H 1 1.801 0.02 A 63 ARG HDx H 1 2.957 0.02 A 63 ARG HDy H 1 2.957 0.02 A 63 ARG HGx H 1 1.296 0.02 A 63 ARG HGy H 1 1.296 0.02 A 63 ARG C C 13 175.326 0.4 A 63 ARG CA C 13 58.073 0.4 A 63 ARG CB C 13 27.136 0.4 A 63 ARG CD C 13 43.035 0.4 A 63 ARG CG C 13 27.897 0.4 A 63 ARG N N 15 116.555 0.4 A 64 GLN H H 1 8.003 0.02 A 64 GLN HA H 1 4.259 0.02 A 64 GLN HBy H 1 2.056 0.02 A 64 GLN HBx H 1 1.953 0.02 A 64 GLN HE2y H 1 7.611 0.02 A 64 GLN HE2x H 1 6.839 0.02 A 64 GLN HGy H 1 2.533 0.02 A 64 GLN HGx H 1 2.341 0.02 A 64 GLN C C 13 176.054 0.4 A 64 GLN CA C 13 56.316 0.4 A 64 GLN CB C 13 30.083 0.4 A 64 GLN CG C 13 35.392 0.4 A 64 GLN N N 15 118.932 0.4 A 64 GLN NE2 N 15 112.76 0.4 A 65 GLU H H 1 8.657 0.02 A 65 GLU HA H 1 4.003 0.02 A 65 GLU HBy H 1 1.881 0.02 A 65 GLU HBx H 1 1.81 0.02 A 65 GLU HGx H 1 2.263 0.02 A 65 GLU HGy H 1 2.263 0.02 A 65 GLU C C 13 176.781 0.4 A 65 GLU CA C 13 57.682 0.4 A 65 GLU CB C 13 29.9 0.4 A 65 GLU CG C 13 36.401 0.4 A 65 GLU N N 15 122.038 0.4 A 66 TRP H H 1 8.499 0.02 A 66 TRP HA H 1 4.404 0.02 A 66 TRP HBy H 1 2.681 0.02 A 66 TRP HBx H 1 2.548 0.02 A 66 TRP HD1 H 1 6.441 0.02 A 66 TRP HE1 H 1 5.827 0.02 A 66 TRP HE3 H 1 7.206 0.02 A 66 TRP HH2 H 1 7.08 0.02 A 66 TRP HZ2 H 1 6.695 0.02 A 66 TRP HZ3 H 1 6.95 0.02 A 66 TRP C C 13 175.46 0.4 A 66 TRP CA C 13 57.625 0.4 A 66 TRP CB C 13 29.358 0.4 A 66 TRP CD1 C 13 126.493 0.4 A 66 TRP CE3 C 13 119.966 0.4 A 66 TRP CH2 C 13 124.707 0.4 A 66 TRP CZ2 C 13 112.825 0.4 A 66 TRP CZ3 C 13 119.921 0.4 A 66 TRP N N 15 125.73 0.4 A 66 TRP NE1 N 15 122.571 0.4 A 67 LYS H H 1 6.93 0.02 A 67 LYS HA H 1 4.018 0.02 A 67 LYS HBy H 1 1.402 0.02 A 67 LYS HBx H 1 1.104 0.02 A 67 LYS HDx H 1 1.445 0.02 A 67 LYS HDy H 1 1.445 0.02 A 67 LYS HEx H 1 2.76 0.02 A 67 LYS HEy H 1 2.76 0.02 A 67 LYS HGx H 1 1.128 0.02 A 67 LYS HGy H 1 1.128 0.02 A 67 LYS C C 13 175.18 0.4 A 67 LYS CA C 13 54.514 0.4 A 67 LYS CB C 13 36.231 0.4 A 67 LYS CD C 13 29.302 0.4 A 67 LYS CE C 13 42.499 0.4 A 67 LYS CG C 13 25.134 0.4 A 67 LYS N N 15 127.396 0.4 A 68 PHE H H 1 8.43 0.02 A 68 PHE HA H 1 4.108 0.02 A 68 PHE HBy H 1 3.184 0.02 A 68 PHE HBx H 1 2.798 0.02 A 68 PHE HD1 H 1 7.618 0.02 A 68 PHE HD2 H 1 7.618 0.02 A 68 PHE HE1 H 1 7.489 0.02 A 68 PHE HE2 H 1 7.489 0.02 A 68 PHE HZ H 1 7.148 0.02 A 68 PHE C C 13 176.613 0.4 A 68 PHE CA C 13 59.961 0.4 A 68 PHE CB C 13 39.262 0.4 A 68 PHE CD1 C 13 133.212 0.4 A 68 PHE CE1 C 13 131.54 0.4 A 68 PHE CZ C 13 130.044 0.4 A 68 PHE N N 15 121.511 0.4 A 69 LYS H H 1 8.738 0.02 A 69 LYS HA H 1 3.995 0.02 A 69 LYS HBy H 1 1.645 0.02 A 69 LYS HBx H 1 1.239 0.02 A 69 LYS HDx H 1 1.438 0.02 A 69 LYS HDy H 1 1.438 0.02 A 69 LYS HEx H 1 2.688 0.02 A 69 LYS HEy H 1 2.688 0.02 A 69 LYS HGy H 1 1.287 0.02 A 69 LYS HGx H 1 1.224 0.02 A 69 LYS C C 13 175.651 0.4 A 69 LYS CA C 13 57.32 0.4 A 69 LYS CB C 13 33.361 0.4 A 69 LYS CD C 13 29.314 0.4 A 69 LYS CE C 13 41.978 0.4 A 69 LYS CG C 13 25.113 0.4 A 69 LYS N N 15 124.21 0.4 A 70 GLU H H 1 8.124 0.02 A 70 GLU HA H 1 4.031 0.02 A 70 GLU HBy H 1 1.916 0.02 A 70 GLU HBx H 1 1.737 0.02 A 70 GLU HGx H 1 2.067 0.02 A 70 GLU HGy H 1 2.067 0.02 A 70 GLU C C 13 181.125 0.4 A 70 GLU CA C 13 58.093 0.4 A 70 GLU CB C 13 31.183 0.4 A 70 GLU CG C 13 36.828 0.4 A 70 GLU N N 15 130.135 0.4 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 45 CYS HBx A 46 ILE H 1.0 . 3.88 2 2 A 46 ILE H A 46 ILE HG1y 1.0 . 4.88 3 3 A 46 ILE H A 11 ILE HD1% 1.0 . 3.90 4 4 A 46 ILE H A 46 ILE HB 1.0 . 3.11 5 5 A 46 ILE H A 45 CYS HBy 1.0 . 3.36 6 6 A 46 ILE H A 46 ILE HG1x 1.0 . 5.05 7 7 A 46 ILE H A 46 ILE HG2% 1.0 . 2.97 8 8 A 46 ILE H A 41 PHE HBx 1.0 . 3.67 9 9 A 46 ILE H A 41 PHE HBy 1.0 . 4.36 10 10 A 46 ILE H A 45 CYS H 1.0 . 3.39 11 11 A 14 MET HA A 15 ALA H 1.0 . 2.71 12 12 A 15 ALA H A 15 ALA HB% 1.0 . 2.66 13 13 A 36 GLN HE2x A 67 LYS HBx 1.0 . 5.50 14 14 A 11 ILE H A 11 ILE HB 1.0 . 3.05 15 15 A 11 ILE H A 41 PHE HD% 1.0 . 3.83 16 16 A 11 ILE HD1% A 11 ILE H 1.0 . 4.06 17 17 A 11 ILE H A 41 PHE HE% 1.0 . 3.74 18 18 A 45 CYS HBx A 11 ILE H 1.0 . 5.49 19 19 A 11 ILE H A 10 GLY H 1.0 . 3.76 20 20 A 40 CYS H A 40 CYS HBx 1.0 . 4.02 21 21 A 40 CYS H A 40 CYS HBy 1.0 . 4.02 22 22 A 37 CYS H A 39 HIS H 1.0 . 5.50 23 23 A 40 CYS H A 39 HIS HA 1.0 . 2.89 24 24 A 46 ILE HD1% A 50 LEU H 1.0 . 4.31 25 25 A 50 LEU H A 50 LEU HBx 1.0 . 3.42 26 26 A 50 LEU H A 49 TRP HBx 1.0 . 3.05 27 26 A 50 LEU H A 49 TRP HBy 1.0 . 3.05 28 27 A 50 LEU H A 47 LEU HA 1.0 . 4.29 29 28 A 50 LEU H A 48 LYS HA 1.0 . 4.74 30 29 A 42 HIS H A 42 HIS HBy 1.0 . 3.53 31 30 A 41 PHE HD% A 42 HIS H 1.0 . 4.76 32 31 A 50 LEU H A 50 LEU HBy 1.0 . 3.27 33 32 A 23 CYS H A 23 CYS HBx 1.0 . 3.64 34 33 A 23 CYS H A 21 PRO HBx 1.0 . 4.60 35 33 A 23 CYS H A 21 PRO HBy 1.0 . 4.60 36 34 A 23 CYS H A 23 CYS HBy 1.0 . 3.64 37 35 A 23 CYS H A 20 CYS HA 1.0 . 5.40 38 36 A 23 CYS H A 22 ASP H 1.0 . 2.94 39 37 A 69 LYS HA A 70 GLU H 1.0 . 2.65 40 38 A 70 GLU H A 70 GLU HBx 1.0 . 3.89 41 39 A 70 GLU H A 69 LYS H 1.0 . 4.67 42 40 A 70 GLU H A 70 GLU HBy 1.0 . 3.89 43 41 A 70 GLU H A 69 LYS HDx 1.0 . 4.55 44 41 A 70 GLU H A 69 LYS HDy 1.0 . 4.55 45 42 A 70 GLU H A 69 LYS HBx 1.0 . 3.85 46 43 A 50 LEU HDx% A 57 GLN HE2x 1.0 . 4.67 47 44 A 32 LEU H A 32 LEU HDx% 1.0 . 4.41 48 45 A 32 LEU H A 31 PRO HBy 1.0 . 3.83 49 46 A 32 LEU H A 32 LEU HDy% 1.0 . 4.41 50 47 A 32 LEU H A 31 PRO HBx 1.0 . 3.83 51 48 A 32 LEU H A 32 LEU HG 1.0 . 3.11 52 49 A 32 LEU H A 32 LEU HBy 1.0 . 3.90 53 50 A 65 GLU H A 65 GLU HBx 1.0 . 3.62 54 51 A 59 CYS H A 60 PRO HDy 1.0 . 5.25 55 52 A 65 GLU H A 64 GLN HA 1.0 . 2.74 56 53 A 65 GLU H A 64 GLN HBy 1.0 . 4.01 57 54 A 65 GLU H A 65 GLU HGx 1.0 . 4.18 58 54 A 65 GLU H A 65 GLU HGy 1.0 . 4.18 59 55 A 65 GLU H A 65 GLU HBy 1.0 . 3.62 60 56 A 65 GLU H A 64 GLN HGx 1.0 . 5.50 61 57 A 65 GLU H A 64 GLN HBx 1.0 . 3.08 62 58 A 15 ALA HA A 17 ASN H 1.0 . 4.35 63 59 A 17 ASN H A 16 PHE HBy 1.0 . 3.32 64 60 A 17 ASN H A 17 ASN HBx 1.0 . 3.70 65 61 A 15 ALA HB% A 17 ASN H 1.0 . 3.15 66 62 A 17 ASN H A 17 ASN HBy 1.0 . 3.70 67 63 A 64 GLN HA A 64 GLN HE2x 1.0 . 5.23 68 64 A 4 ALA HB% A 5 ASN H 1.0 . 4.89 69 65 A 25 VAL H A 26 PRO HDx 1.0 . 5.50 70 66 A 25 VAL H A 25 VAL HGy% 1.0 . 4.25 71 67 A 25 VAL H A 24 LYS HBy 1.0 . 4.53 72 68 A 25 VAL H A 24 LYS HBx 1.0 . 4.53 73 69 A 25 VAL H A 25 VAL HB 1.0 . 3.76 74 70 A 35 GLY H A 40 CYS HA 1.0 . 4.21 75 71 A 35 GLY H A 35 GLY HAx 1.0 . 2.91 76 72 A 39 HIS H A 35 GLY H 1.0 . 5.10 77 73 A 35 GLY H A 66 TRP HH2 1.0 . 4.59 78 74 A 35 GLY H A 34 TRP HA 1.0 . 2.84 79 75 A 35 GLY H A 36 GLN H 1.0 . 4.54 80 76 A 35 GLY H A 34 TRP HBx 1.0 . 3.40 81 77 A 63 ARG H A 62 CYS HBy 1.0 . 3.99 82 78 A 63 ARG H A 63 ARG HDx 1.0 . 4.55 83 78 A 63 ARG H A 63 ARG HDy 1.0 . 4.55 84 79 A 63 ARG H A 63 ARG HGx 1.0 . 3.50 85 79 A 63 ARG H A 63 ARG HGy 1.0 . 3.50 86 80 A 55 VAL H A 54 GLN HBy 1.0 . 4.95 87 81 A 63 ARG H A 62 CYS HBx 1.0 . 3.99 88 82 A 57 GLN HE2x A 65 GLU HA 1.0 . 5.50 89 83 A 64 GLN H A 64 GLN HGy 1.0 . 4.15 90 84 A 64 GLN HBy A 64 GLN H 1.0 . 3.16 91 85 A 64 GLN H A 64 GLN HGx 1.0 . 4.15 92 86 A 64 GLN HBx A 64 GLN H 1.0 . 3.65 93 87 A 37 CYS H A 35 GLY HAy 1.0 . 4.60 94 88 A 37 CYS H A 37 CYS HBx 1.0 . 3.95 95 89 A 37 CYS H A 36 GLN HBy 1.0 . 3.94 96 90 A 37 CYS H A 36 GLN HGy 1.0 . 4.48 97 91 A 37 CYS H A 37 CYS HBy 1.0 . 3.95 98 92 A 37 CYS H A 36 GLN H 1.0 . 3.18 99 93 A 37 CYS H A 35 GLY HAx 1.0 . 3.77 100 94 A 37 CYS H A 36 GLN HBx 1.0 . 4.06 101 95 A 55 VAL H A 55 VAL HB 1.0 . 3.56 102 96 A 55 VAL H A 54 GLN HBx 1.0 . 4.95 103 97 A 55 VAL H A 53 GLN HBx 1.0 . 4.59 104 97 A 55 VAL H A 53 GLN HBy 1.0 . 4.59 105 98 A 55 VAL H A 55 VAL HGx% 1.0 . 3.31 106 98 A 55 VAL H A 55 VAL HGy% 1.0 . 3.31 107 99 A 8 ASN H A 7 GLU HGx 1.0 . 5.04 108 99 A 7 GLU HGy A 8 ASN H 1.0 . 5.04 109 100 A 55 VAL H A 54 GLN HGx 1.0 . 5.27 110 100 A 55 VAL H A 54 GLN HGy 1.0 . 5.27 111 101 A 53 GLN HA A 53 GLN HE2y 1.0 . 5.50 112 102 A 28 ASP HA A 30 CYS H 1.0 . 4.97 113 103 A 30 CYS H A 29 ASP HA 1.0 . 3.50 114 104 A 30 CYS H A 30 CYS HBy 1.0 . 3.98 115 105 A 30 CYS H A 31 PRO HDy 1.0 . 4.51 116 106 A 30 CYS H A 29 ASP HBx 1.0 . 4.69 117 107 A 30 CYS H A 30 CYS HBx 1.0 . 3.98 118 108 A 30 CYS H A 31 PRO HDx 1.0 . 4.51 119 109 A 30 CYS H A 29 ASP HBy 1.0 . 4.69 120 110 A 14 MET H A 14 MET HBy 1.0 . 3.83 121 111 A 14 MET H A 14 MET HGy 1.0 . 4.64 122 112 A 14 MET H A 14 MET HBx 1.0 . 3.83 123 113 A 14 MET H A 9 CYS HBx 1.0 . 3.95 124 114 A 33 VAL H A 32 LEU HDx% 1.0 . 4.61 125 115 A 33 VAL H A 32 LEU HA 1.0 . 2.94 126 116 A 33 VAL H A 33 VAL HB 1.0 . 4.07 127 117 A 33 VAL H A 32 LEU HDy% 1.0 . 4.61 128 118 A 33 VAL H A 42 HIS HA 1.0 . 3.49 129 119 A 32 LEU HG A 33 VAL H 1.0 . 4.66 130 120 A 33 VAL H A 33 VAL HGx% 1.0 . 4.02 131 121 A 19 CYS H A 19 CYS HBx 1.0 . 3.16 132 121 A 19 CYS H A 19 CYS HBy 1.0 . 3.16 133 122 A 19 CYS H A 18 GLY HAx 1.0 . 3.31 134 123 A 19 CYS H A 18 GLY HAy 1.0 . 3.31 135 124 A 40 CYS HA A 34 TRP HE1 1.0 . 5.50 136 125 A 34 TRP HE1 A 40 CYS HBx 1.0 . 4.37 137 126 A 34 TRP HE1 A 16 PHE HBx 1.0 . 5.50 138 127 A 34 TRP HE1 A 40 CYS HBy 1.0 . 4.37 139 128 A 67 LYS H A 67 LYS HBx 1.0 . 4.03 140 129 A 67 LYS H A 67 LYS HDx 1.0 . 4.79 141 129 A 67 LYS H A 67 LYS HDy 1.0 . 4.79 142 130 A 67 LYS H A 67 LYS HBy 1.0 . 4.03 143 131 A 67 LYS H A 66 TRP HBx 1.0 . 4.48 144 132 A 36 GLN HBx A 67 LYS H 1.0 . 4.70 145 133 A 52 ALA H A 52 ALA HB% 1.0 . 2.78 146 134 A 50 LEU H A 52 ALA H 1.0 . 4.88 147 135 A 52 ALA H A 51 HIS HBx 1.0 . 3.65 148 135 A 52 ALA H A 51 HIS HBy 1.0 . 3.65 149 136 A 52 ALA H A 50 LEU HG 1.0 . 5.50 150 137 A 52 ALA H A 53 GLN HBx 1.0 . 5.50 151 137 A 53 GLN HBy A 52 ALA H 1.0 . 5.50 152 138 A 52 ALA H A 49 TRP HA 1.0 . 4.63 153 139 A 52 ALA H A 51 HIS H 1.0 . 3.15 154 140 A 52 ALA H A 50 LEU HA 1.0 . 4.64 155 141 A 68 PHE H A 67 LYS HBx 1.0 . 4.57 156 142 A 68 PHE H A 66 TRP HE1 1.0 . 5.50 157 143 A 68 PHE H A 67 LYS HBy 1.0 . 4.57 158 144 A 68 PHE H A 68 PHE HE% 1.0 . 5.50 159 145 A 68 PHE H A 66 TRP HZ3 1.0 . 5.50 160 146 A 62 CYS H A 61 MET HBy 1.0 . 3.87 161 147 A 62 CYS H A 61 MET HBx 1.0 . 3.87 162 148 A 62 CYS H A 61 MET H 1.0 . 3.01 163 149 A 33 VAL HB A 34 TRP H 1.0 . 4.29 164 150 A 66 TRP HH2 A 34 TRP H 1.0 . 5.50 165 151 A 34 TRP H A 34 TRP HBy 1.0 . 3.42 166 152 A 34 TRP H A 33 VAL HGy% 1.0 . 4.21 167 153 A 34 TRP H A 33 VAL HA 1.0 . 2.77 168 154 A 34 TRP H A 33 VAL HGx% 1.0 . 4.21 169 155 A 34 TRP HBx A 34 TRP H 1.0 . 3.86 170 156 A 34 TRP H A 34 TRP HD1 1.0 . 5.50 171 157 A 69 LYS HBx A 34 TRP H 1.0 . 4.65 172 158 A 32 LEU H A 32 LEU HBx 1.0 . 3.90 173 159 A 57 GLN HA A 58 HIS H 1.0 . 3.45 174 160 A 58 HIS H A 58 HIS HBx 1.0 . 3.63 175 160 A 58 HIS H A 58 HIS HBy 1.0 . 3.63 176 161 A 39 HIS H A 39 HIS HBx 1.0 . 3.54 177 162 A 40 CYS H A 35 GLY H 1.0 . 5.50 178 163 A 41 PHE HD% A 40 CYS H 1.0 . 4.95 179 164 A 39 HIS H A 39 HIS HBy 1.0 . 3.54 180 165 A 39 HIS H A 35 GLY HAx 1.0 . 5.26 181 166 A 29 ASP H A 29 ASP HBx 1.0 . 3.66 182 167 A 29 ASP H A 29 ASP HBy 1.0 . 3.66 183 168 A 5 ASN H A 5 ASN HD2y 1.0 . 5.50 184 169 A 56 GLN H A 56 GLN HBx 1.0 . 3.29 185 169 A 56 GLN H A 56 GLN HBy 1.0 . 3.29 186 170 A 55 VAL HB A 56 GLN H 1.0 . 3.22 187 171 A 56 GLN H A 56 GLN HGx 1.0 . 3.72 188 171 A 56 GLN H A 56 GLN HGy 1.0 . 3.72 189 172 A 56 GLN H A 55 VAL HGx% 1.0 . 3.80 190 172 A 55 VAL HGy% A 56 GLN H 1.0 . 3.80 191 173 A 27 GLY H A 26 PRO HBy 1.0 . 4.65 192 174 A 27 GLY H A 26 PRO HBx 1.0 . 4.65 193 175 A 44 HIS H A 47 LEU H 1.0 . 5.50 194 176 A 44 HIS H A 44 HIS HBx 1.0 . 3.92 195 177 A 44 HIS H A 43 MET HBy 1.0 . 3.89 196 178 A 42 HIS HBy A 44 HIS H 1.0 . 4.98 197 179 A 44 HIS H A 44 HIS HD2 1.0 . 4.29 198 180 A 44 HIS H A 44 HIS HBy 1.0 . 3.51 199 181 A 46 ILE HG2% A 44 HIS H 1.0 . 5.38 200 182 A 44 HIS H A 43 MET HBx 1.0 . 3.50 201 183 A 44 HIS H A 42 HIS HBx 1.0 . 4.59 202 184 A 44 HIS H A 43 MET HGy 1.0 . 4.86 203 185 A 45 CYS H A 44 HIS H 1.0 . 3.58 204 186 A 61 MET H A 61 MET HBy 1.0 . 3.94 205 187 A 61 MET H A 61 MET HBx 1.0 . 3.94 206 188 A 61 MET H A 61 MET HGy 1.0 . 4.70 207 189 A 61 MET H A 60 PRO HGx 1.0 . 4.57 208 190 A 61 MET H A 59 CYS HBx 1.0 . 4.25 209 190 A 61 MET H A 59 CYS HBy 1.0 . 4.25 210 191 A 61 MET H A 61 MET HGx 1.0 . 4.70 211 192 A 66 TRP HE1 A 49 TRP HZ3 1.0 . 5.50 212 193 A 66 TRP HE1 A 50 LEU HDy% 1.0 . 4.39 213 194 A 66 TRP HE1 A 68 PHE HE% 1.0 . 4.25 214 195 A 66 TRP HE1 A 68 PHE HD% 1.0 . 4.45 215 196 A 50 LEU H A 66 TRP HE1 1.0 . 5.50 216 197 A 56 GLN HE2y A 56 GLN HBx 1.0 . 5.07 217 197 A 56 GLN HBy A 56 GLN HE2y 1.0 . 5.07 218 198 A 56 GLN H A 56 GLN HE2y 1.0 . 5.50 219 199 A 46 ILE HD1% A 49 TRP H 1.0 . 4.33 220 200 A 50 LEU H A 49 TRP H 1.0 . 3.19 221 201 A 49 TRP H A 49 TRP HBx 1.0 . 2.62 222 201 A 49 TRP HBy A 49 TRP H 1.0 . 2.62 223 202 A 49 TRP H A 48 LYS HGx 1.0 . 4.79 224 202 A 49 TRP H A 48 LYS HGy 1.0 . 4.79 225 203 A 11 ILE HD1% A 49 TRP H 1.0 . 4.20 226 204 A 49 TRP H A 49 TRP HD1 1.0 . 5.50 227 205 A 49 TRP H A 48 LYS HBx 1.0 . 3.50 228 206 A 49 TRP H A 48 LYS HDx 1.0 . 4.94 229 206 A 49 TRP H A 48 LYS HDy 1.0 . 4.94 230 207 A 49 TRP H A 48 LYS HBy 1.0 . 3.34 231 208 A 49 TRP H A 48 LYS H 1.0 . 3.06 232 209 A 50 LEU H A 51 HIS H 1.0 . 3.12 233 210 A 50 LEU HBx A 51 HIS H 1.0 . 3.75 234 211 A 48 LYS HA A 51 HIS H 1.0 . 3.53 235 212 A 51 HIS H A 53 GLN H 1.0 . 4.87 236 213 A 51 HIS H A 51 HIS HBx 1.0 . 2.58 237 213 A 51 HIS HBy A 51 HIS H 1.0 . 2.58 238 214 A 49 TRP HA A 51 HIS H 1.0 . 4.55 239 215 A 51 HIS H A 47 LEU HG 1.0 . 4.74 240 216 A 50 LEU HG A 51 HIS H 1.0 . 4.92 241 217 A 11 ILE H A 12 CYS H 1.0 . 3.02 242 218 A 11 ILE HB A 12 CYS H 1.0 . 3.10 243 219 A 41 PHE HD% A 12 CYS H 1.0 . 5.37 244 220 A 14 MET H A 12 CYS H 1.0 . 4.69 245 221 A 12 CYS H A 12 CYS HBx 1.0 . 4.04 246 222 A 45 CYS HBx A 12 CYS H 1.0 . 5.50 247 223 A 9 CYS HBx A 12 CYS H 1.0 . 4.19 248 224 A 12 CYS H A 12 CYS HBy 1.0 . 4.04 249 225 A 54 GLN H A 54 GLN HE2x 1.0 . 5.50 250 226 A 54 GLN H A 53 GLN HBx 1.0 . 4.67 251 226 A 53 GLN HBy A 54 GLN H 1.0 . 4.67 252 227 A 53 GLN HA A 54 GLN H 1.0 . 3.51 253 228 A 54 GLN H A 54 GLN HE2y 1.0 . 5.50 254 229 A 54 GLN H A 54 GLN HGx 1.0 . 4.29 255 229 A 54 GLN HGy A 54 GLN H 1.0 . 4.29 256 230 A 69 LYS H A 69 LYS HGy 1.0 . 5.50 257 231 A 69 LYS H A 35 GLY HAy 1.0 . 3.29 258 232 A 69 LYS H A 68 PHE HA 1.0 . 2.76 259 233 A 69 LYS H A 69 LYS HBy 1.0 . 3.18 260 234 A 69 LYS H A 68 PHE HBx 1.0 . 4.81 261 235 A 69 LYS H A 35 GLY HAx 1.0 . 4.04 262 236 A 69 LYS H A 69 LYS HBx 1.0 . 3.18 263 237 A 69 LYS H A 68 PHE HBy 1.0 . 4.81 264 238 A 8 ASN HA A 16 PHE H 1.0 . 3.99 265 239 A 16 PHE H A 16 PHE HZ 1.0 . 5.50 266 240 A 16 PHE H A 16 PHE HE% 1.0 . 5.38 267 241 A 16 PHE HBy A 16 PHE H 1.0 . 3.29 268 242 A 16 PHE HBx A 16 PHE H 1.0 . 3.82 269 243 A 16 PHE H A 18 GLY H 1.0 . 4.54 270 244 A 13 ARG H A 13 ARG HA 1.0 . 2.72 271 245 A 14 MET H A 13 ARG H 1.0 . 3.24 272 246 A 13 ARG H A 13 ARG HBx 1.0 . 4.07 273 247 A 9 CYS HBx A 13 ARG H 1.0 . 4.08 274 248 A 13 ARG H A 13 ARG HBy 1.0 . 4.07 275 249 A 52 ALA HB% A 53 GLN H 1.0 . 3.47 276 250 A 53 GLN HE2y A 53 GLN H 1.0 . 5.50 277 251 A 53 GLN H A 53 GLN HBx 1.0 . 3.37 278 251 A 53 GLN HBy A 53 GLN H 1.0 . 3.37 279 252 A 49 TRP HA A 53 GLN H 1.0 . 5.38 280 253 A 53 GLN H A 53 GLN HE2x 1.0 . 5.50 281 254 A 50 LEU HA A 53 GLN H 1.0 . 4.25 282 255 A 49 TRP HE1 A 59 CYS HA 1.0 . 5.29 283 256 A 50 LEU HBy A 49 TRP HE1 1.0 . 5.36 284 257 A 42 HIS H A 43 MET H 1.0 . 4.54 285 258 A 49 TRP HE1 A 60 PRO HDx 1.0 . 4.69 286 259 A 49 TRP HE1 A 60 PRO HGy 1.0 . 5.42 287 260 A 17 ASN HA A 17 ASN HD2y 1.0 . 4.55 288 261 A 3 VAL HB A 4 ALA H 1.0 . 4.44 289 262 A 4 ALA HB% A 4 ALA H 1.0 . 3.53 290 263 A 4 ALA H A 3 VAL HA 1.0 . 3.28 291 264 A 57 GLN HE2x A 57 GLN H 1.0 . 5.50 292 265 A 68 PHE H A 66 TRP HZ2 1.0 . 5.50 293 266 A 57 GLN H A 57 GLN HGx 1.0 . 3.85 294 267 A 57 GLN H A 57 GLN HBy 1.0 . 3.88 295 268 A 57 GLN H A 56 GLN HBx 1.0 . 3.94 296 268 A 56 GLN HBy A 57 GLN H 1.0 . 3.94 297 269 A 57 GLN H A 57 GLN HGy 1.0 . 3.85 298 270 A 57 GLN H A 56 GLN HA 1.0 . 3.14 299 271 A 57 GLN H A 57 GLN HE2y 1.0 . 5.27 300 272 A 57 GLN H A 57 GLN HBx 1.0 . 3.88 301 273 A 56 GLN HE2x A 56 GLN HBx 1.0 . 5.07 302 273 A 56 GLN HBy A 56 GLN HE2x 1.0 . 5.07 303 274 A 36 GLN H A 67 LYS HBx 1.0 . 4.37 304 275 A 36 GLN H A 35 GLY HAy 1.0 . 2.87 305 276 A 36 GLN H A 36 GLN HBy 1.0 . 3.68 306 277 A 36 GLN H A 67 LYS HGx 1.0 . 5.02 307 277 A 36 GLN H A 67 LYS HGy 1.0 . 5.02 308 278 A 36 GLN H A 67 LYS H 1.0 . 3.81 309 279 A 36 GLN H A 36 GLN HGy 1.0 . 3.94 310 280 A 69 LYS H A 36 GLN H 1.0 . 4.26 311 281 A 36 GLN H A 67 LYS HBy 1.0 . 4.37 312 282 A 36 GLN H A 36 GLN HGx 1.0 . 3.94 313 283 A 36 GLN H A 36 GLN HE2y 1.0 . 5.50 314 284 A 35 GLY HAx A 36 GLN H 1.0 . 3.07 315 285 A 36 GLN H A 36 GLN HBx 1.0 . 2.88 316 286 A 36 GLN H A 67 LYS HDx 1.0 . 5.50 317 286 A 36 GLN H A 67 LYS HDy 1.0 . 5.50 318 287 A 36 GLN H A 69 LYS HDx 1.0 . 5.50 319 287 A 69 LYS HDy A 36 GLN H 1.0 . 5.50 320 288 A 36 GLN HE2x A 67 LYS HBy 1.0 . 5.50 321 289 A 36 GLN HE2x A 36 GLN H 1.0 . 5.50 322 290 A 42 HIS HA A 43 MET H 1.0 . 2.94 323 291 A 43 MET HBy A 43 MET H 1.0 . 3.32 324 292 A 42 HIS HBy A 43 MET H 1.0 . 4.29 325 293 A 33 VAL H A 43 MET H 1.0 . 4.34 326 294 A 43 MET H A 43 MET HGx 1.0 . 4.83 327 295 A 43 MET HBx A 43 MET H 1.0 . 3.52 328 296 A 42 HIS HBx A 43 MET H 1.0 . 4.83 329 297 A 43 MET H A 43 MET HE% 1.0 . 5.49 330 298 A 43 MET HGy A 43 MET H 1.0 . 4.92 331 299 A 5 ASN HA A 6 ASP H 1.0 . 2.86 332 300 A 6 ASP H A 6 ASP HBx 1.0 . 3.14 333 300 A 6 ASP H A 6 ASP HBy 1.0 . 3.14 334 301 A 59 CYS H A 58 HIS HA 1.0 . 2.89 335 302 A 59 CYS H A 59 CYS HBx 1.0 . 3.02 336 302 A 59 CYS H A 59 CYS HBy 1.0 . 3.02 337 303 A 59 CYS H A 64 GLN H 1.0 . 5.08 338 304 A 65 GLU H A 64 GLN H 1.0 . 5.41 339 305 A 59 CYS H A 58 HIS HD2 1.0 . 5.06 340 306 A 65 GLU H A 58 HIS HD2 1.0 . 5.35 341 307 A 59 CYS H A 66 TRP HBx 1.0 . 5.50 342 308 A 59 CYS H A 58 HIS HBx 1.0 . 3.31 343 308 A 59 CYS H A 58 HIS HBy 1.0 . 3.31 344 309 A 59 CYS H A 66 TRP H 1.0 . 4.22 345 310 A 41 PHE HD% A 10 GLY H 1.0 . 4.15 346 311 A 10 GLY H A 9 CYS HBx 1.0 . 4.97 347 312 A 5 ASN HA A 5 ASN HD2x 1.0 . 3.95 348 313 A 5 ASN H A 5 ASN HD2x 1.0 . 5.50 349 314 A 8 ASN HA A 9 CYS H 1.0 . 2.86 350 315 A 14 MET H A 9 CYS H 1.0 . 4.10 351 316 A 9 CYS H A 9 CYS HBy 1.0 . 3.12 352 317 A 9 CYS H A 8 ASN HBy 1.0 . 3.93 353 318 A 9 CYS HBx A 9 CYS H 1.0 . 3.17 354 319 A 9 CYS H A 8 ASN HBx 1.0 . 4.10 355 320 A 57 GLN HA A 57 GLN HE2y 1.0 . 4.53 356 321 A 46 ILE H A 47 LEU H 1.0 . 3.17 357 322 A 45 CYS HBx A 47 LEU H 1.0 . 5.50 358 323 A 47 LEU H A 47 LEU HBy 1.0 . 3.36 359 324 A 46 ILE HG2% A 47 LEU H 1.0 . 2.40 360 325 A 47 LEU H A 47 LEU HBx 1.0 . 2.85 361 326 A 45 CYS H A 47 LEU H 1.0 . 4.76 362 327 A 18 GLY H A 16 PHE HA 1.0 . 4.39 363 328 A 18 GLY H A 17 ASN HA 1.0 . 3.38 364 329 A 19 CYS H A 18 GLY H 1.0 . 4.47 365 330 A 18 GLY H A 17 ASN HBx 1.0 . 4.80 366 331 A 15 ALA HB% A 18 GLY H 1.0 . 3.48 367 332 A 18 GLY H A 17 ASN HBy 1.0 . 4.80 368 333 A 64 GLN HBx A 64 GLN HE2y 1.0 . 5.50 369 334 A 22 ASP H A 21 PRO HBx 1.0 . 3.50 370 334 A 21 PRO HBy A 22 ASP H 1.0 . 3.50 371 335 A 56 GLN H A 56 GLN HE2x 1.0 . 5.50 372 336 A 40 CYS HA A 41 PHE H 1.0 . 2.73 373 337 A 41 PHE HBy A 41 PHE H 1.0 . 3.58 374 338 A 41 PHE H A 40 CYS HBx 1.0 . 4.66 375 339 A 41 PHE H A 33 VAL HGy% 1.0 . 4.96 376 340 A 46 ILE HB A 41 PHE H 1.0 . 5.40 377 341 A 34 TRP HA A 41 PHE H 1.0 . 3.97 378 342 A 41 PHE H A 40 CYS HBy 1.0 . 4.66 379 343 A 41 PHE H A 33 VAL HGx% 1.0 . 4.96 380 344 A 38 SER H A 38 SER HA 1.0 . 2.94 381 345 A 38 SER H A 38 SER HBx 1.0 . 4.21 382 345 A 38 SER H A 38 SER HBy 1.0 . 4.21 383 346 A 50 LEU H A 48 LYS H 1.0 . 5.11 384 347 A 48 LYS H A 48 LYS HGx 1.0 . 4.06 385 347 A 48 LYS HGy A 48 LYS H 1.0 . 4.06 386 348 A 48 LYS H A 51 HIS HBx 1.0 . 4.21 387 348 A 51 HIS HBy A 48 LYS H 1.0 . 4.21 388 349 A 48 LYS HBx A 48 LYS H 1.0 . 3.74 389 350 A 48 LYS H A 47 LEU HBy 1.0 . 4.11 390 351 A 48 LYS H A 44 HIS HA 1.0 . 4.89 391 352 A 48 LYS H A 48 LYS HEx 1.0 . 4.99 392 352 A 48 LYS H A 48 LYS HEy 1.0 . 4.99 393 353 A 48 LYS H A 47 LEU HDy% 1.0 . 2.97 394 354 A 48 LYS H A 48 LYS HDx 1.0 . 3.52 395 354 A 48 LYS HDy A 48 LYS H 1.0 . 3.52 396 355 A 47 LEU H A 48 LYS H 1.0 . 3.18 397 356 A 48 LYS HBy A 48 LYS H 1.0 . 2.91 398 357 A 48 LYS H A 47 LEU HG 1.0 . 3.95 399 358 A 54 GLN HE2y A 54 GLN HBy 1.0 . 5.50 400 359 A 20 CYS H A 23 CYS HBx 1.0 . 4.76 401 360 A 20 CYS H A 19 CYS HBx 1.0 . 3.38 402 360 A 19 CYS HBy A 20 CYS H 1.0 . 3.38 403 361 A 20 CYS H A 20 CYS HBy 1.0 . 3.89 404 362 A 20 CYS H A 23 CYS HBy 1.0 . 4.76 405 363 A 20 CYS H A 19 CYS HA 1.0 . 3.06 406 364 A 5 ASN HA A 7 GLU H 1.0 . 3.51 407 365 A 7 GLU H A 7 GLU HGx 1.0 . 4.04 408 365 A 7 GLU HGy A 7 GLU H 1.0 . 4.04 409 366 A 7 GLU H A 6 ASP HBx 1.0 . 4.02 410 366 A 6 ASP HBy A 7 GLU H 1.0 . 4.02 411 367 A 7 GLU H A 7 GLU HBx 1.0 . 3.77 412 368 A 7 GLU H A 6 ASP HA 1.0 . 3.30 413 369 A 7 GLU H A 7 GLU HBy 1.0 . 3.77 414 370 A 8 ASN H A 7 GLU H 1.0 . 3.26 415 371 A 45 CYS HBx A 45 CYS H 1.0 . 3.59 416 372 A 45 CYS H A 44 HIS HBx 1.0 . 3.85 417 373 A 45 CYS H A 42 HIS HBy 1.0 . 3.54 418 374 A 45 CYS H A 44 HIS HBy 1.0 . 3.53 419 375 A 46 ILE HG2% A 45 CYS H 1.0 . 4.36 420 376 A 45 CYS HBy A 45 CYS H 1.0 . 3.08 421 377 A 45 CYS H A 42 HIS HBx 1.0 . 3.79 422 378 A 8 ASN H A 8 ASN HD2x 1.0 . 4.94 423 379 A 8 ASN H A 7 GLU HA 1.0 . 3.46 424 380 A 8 ASN H A 16 PHE HZ 1.0 . 5.12 425 381 A 8 ASN H A 8 ASN HBy 1.0 . 3.81 426 382 A 8 ASN H A 8 ASN HD2y 1.0 . 4.94 427 383 A 8 ASN H A 8 ASN HBx 1.0 . 3.91 428 384 A 17 ASN HA A 17 ASN HD2x 1.0 . 4.55 429 385 A 66 TRP H A 66 TRP HBy 1.0 . 3.31 430 386 A 66 TRP H A 65 GLU HBx 1.0 . 4.67 431 387 A 66 TRP H A 65 GLU HGx 1.0 . 4.12 432 387 A 65 GLU HGy A 66 TRP H 1.0 . 4.12 433 388 A 57 GLN HE2x A 66 TRP H 1.0 . 5.50 434 389 A 58 HIS HA A 66 TRP H 1.0 . 3.15 435 390 A 65 GLU HA A 66 TRP H 1.0 . 2.83 436 391 A 66 TRP H A 49 TRP HZ2 1.0 . 5.50 437 392 A 66 TRP HBx A 66 TRP H 1.0 . 3.41 438 393 A 66 TRP H A 65 GLU HBy 1.0 . 4.67 439 394 A 57 GLN HE2y A 66 TRP H 1.0 . 5.50 440 395 A 66 TRP H A 66 TRP HD1 1.0 . 5.50 441 396 A 42 HIS H A 41 PHE HA 1.0 . 3.10 442 397 A 45 CYS HBx A 42 HIS H 1.0 . 4.67 443 398 A 11 ILE HD1% A 42 HIS H 1.0 . 5.08 444 399 A 41 PHE HBy A 42 HIS H 1.0 . 4.23 445 400 A 42 HIS H A 9 CYS HBy 1.0 . 4.45 446 401 A 45 CYS HBy A 42 HIS H 1.0 . 3.97 447 402 A 42 HIS H A 42 HIS HBx 1.0 . 3.71 448 403 A 41 PHE HBx A 42 HIS H 1.0 . 3.19 449 404 A 42 HIS H A 9 CYS HA 1.0 . 5.36 450 405 A 69 LYS HBx A 34 TRP HBx 1.0 . 3.76 451 406 A 59 CYS HA A 59 CYS HBx 1.0 . 2.55 452 406 A 59 CYS HBy A 59 CYS HA 1.0 . 2.55 453 407 A 65 GLU HA A 58 HIS HBx 1.0 . 4.24 454 407 A 65 GLU HA A 58 HIS HBy 1.0 . 4.24 455 408 A 47 LEU HG A 48 LYS HEx 1.0 . 3.54 456 408 A 47 LEU HG A 48 LYS HEy 1.0 . 3.54 457 409 A 48 LYS HBy A 47 LEU HDy% 1.0 . 5.17 458 410 A 46 ILE HG2% A 41 PHE HD% 1.0 . 4.68 459 411 A 46 ILE HG2% A 48 LYS H 1.0 . 5.04 460 412 A 46 ILE HB A 66 TRP HH2 1.0 . 5.50 461 413 A 36 GLN HBx A 67 LYS HA 1.0 . 5.14 462 414 A 60 PRO HDx A 49 TRP HE3 1.0 . 4.89 463 415 A 60 PRO HDy A 49 TRP HH2 1.0 . 4.39 464 416 A 60 PRO HDx A 49 TRP HH2 1.0 . 3.97 465 417 A 46 ILE HD1% A 50 LEU HBy 1.0 . 4.22 466 418 A 46 ILE HG1x A 66 TRP HH2 1.0 . 5.19 467 419 A 46 ILE HD1% A 49 TRP HZ2 1.0 . 4.43 468 420 A 46 ILE HD1% A 66 TRP HH2 1.0 . 4.86 469 421 A 47 LEU HG A 68 PHE HZ 1.0 . 5.46 470 422 A 67 LYS HBy A 36 GLN HGx 1.0 . 5.50 471 423 A 36 GLN HGx A 67 LYS HBx 1.0 . 5.50 472 424 A 36 GLN HGy A 67 LYS HBx 1.0 . 5.50 473 425 A 36 GLN HGy A 67 LYS HBy 1.0 . 5.50 474 426 A 46 ILE HD1% A 49 TRP HA 1.0 . 5.04 475 427 A 35 GLY HAx A 36 GLN HBx 1.0 . 5.32 476 428 A 43 MET HBx A 42 HIS HBx 1.0 . 4.82 477 429 A 42 HIS HBy A 43 MET HBx 1.0 . 5.50 478 430 A 9 CYS HBy A 16 PHE HD% 1.0 . 4.59 479 431 A 50 LEU HDy% A 47 LEU HDx% 1.0 . 4.42 480 432 A 43 MET HE% A 33 VAL HGx% 1.0 . 4.11 481 433 A 43 MET HE% A 33 VAL HGy% 1.0 . 4.11 482 434 A 46 ILE HG2% A 43 MET HA 1.0 . 2.85 483 435 A 3 VAL H A 3 VAL HGx% 1.0 . 4.34 484 435 A 3 VAL H A 3 VAL HGy% 1.0 . 4.34 485 436 A 4 ALA H A 3 VAL HGx% 1.0 . 4.16 486 436 A 4 ALA H A 3 VAL HGy% 1.0 . 4.16 487 437 A 54 GLN HA A 54 GLN HGx 1.0 . 3.43 488 437 A 54 GLN HGy A 54 GLN HA 1.0 . 3.43 489 438 A 42 HIS HA A 42 HIS HD2 1.0 . 3.79 490 439 A 32 LEU HA A 32 LEU HDx% 1.0 . 4.09 491 440 A 16 PHE HA A 32 LEU HDx% 1.0 . 4.58 492 441 A 16 PHE HBx A 32 LEU HDx% 1.0 . 3.93 493 442 A 46 ILE H A 46 ILE HD1% 1.0 . 4.18 494 443 A 46 ILE HD1% A 49 TRP HBx 1.0 . 3.44 495 443 A 46 ILE HD1% A 49 TRP HBy 1.0 . 3.44 496 444 A 11 ILE HD1% A 46 ILE HD1% 1.0 . 3.42 497 445 A 46 ILE HD1% A 60 PRO HDy 1.0 . 3.54 498 446 A 46 ILE HD1% A 49 TRP HD1 1.0 . 4.57 499 447 A 46 ILE HB A 46 ILE HD1% 1.0 . 3.39 500 448 A 46 ILE HD1% A 60 PRO HDx 1.0 . 3.70 501 449 A 46 ILE HD1% A 49 TRP HE1 1.0 . 5.04 502 450 A 46 ILE HG2% A 46 ILE HD1% 1.0 . 3.30 503 451 A 46 ILE HD1% A 60 PRO HGy 1.0 . 4.24 504 452 A 49 TRP HZ3 A 66 TRP HBy 1.0 . 4.57 505 453 A 66 TRP HBx A 49 TRP HZ3 1.0 . 5.13 506 454 A 50 LEU HDy% A 51 HIS HBx 1.0 . 5.50 507 454 A 51 HIS HBy A 50 LEU HDy% 1.0 . 5.50 508 455 A 16 PHE HZ A 41 PHE HA 1.0 . 4.52 509 456 A 41 PHE HA A 42 HIS HE1 1.0 . 5.50 510 457 A 41 PHE HE% A 41 PHE HA 1.0 . 4.76 511 458 A 24 LYS H A 24 LYS HDx 1.0 . 5.24 512 458 A 24 LYS H A 24 LYS HDy 1.0 . 5.24 513 459 A 24 LYS HA A 24 LYS HDx 1.0 . 4.34 514 459 A 24 LYS HDy A 24 LYS HA 1.0 . 4.34 515 460 A 13 ARG H A 12 CYS HA 1.0 . 3.50 516 461 A 52 ALA HB% A 49 TRP HA 1.0 . 4.11 517 462 A 5 ASN HD2y A 5 ASN HA 1.0 . 3.95 518 463 A 13 ARG HA A 8 ASN HBy 1.0 . 3.45 519 464 A 13 ARG HA A 8 ASN HBx 1.0 . 4.72 520 465 A 13 ARG HA A 13 ARG HDx 1.0 . 3.80 521 465 A 13 ARG HA A 13 ARG HDy 1.0 . 3.80 522 466 A 40 CYS HA A 39 HIS HE1 1.0 . 5.41 523 467 A 22 ASP H A 21 PRO HDx 1.0 . 4.52 524 468 A 20 CYS H A 20 CYS HBx 1.0 . 3.89 525 469 A 32 LEU HA A 32 LEU HDy% 1.0 . 4.09 526 470 A 42 HIS H A 32 LEU HA 1.0 . 5.01 527 471 A 65 GLU H A 64 GLN HGy 1.0 . 5.50 528 472 A 50 LEU HBy A 50 LEU HDy% 1.0 . 4.08 529 473 A 41 PHE HA A 9 CYS HA 1.0 . 3.97 530 474 A 11 ILE H A 9 CYS HA 1.0 . 4.62 531 475 A 16 PHE HZ A 9 CYS HA 1.0 . 3.40 532 476 A 16 PHE HE% A 9 CYS HA 1.0 . 3.82 533 477 A 10 GLY H A 9 CYS HA 1.0 . 3.08 534 478 A 65 GLU HA A 65 GLU HGx 1.0 . 4.07 535 478 A 65 GLU HGy A 65 GLU HA 1.0 . 4.07 536 479 A 7 GLU HA A 7 GLU HGx 1.0 . 3.49 537 479 A 7 GLU HGy A 7 GLU HA 1.0 . 3.49 538 480 A 61 MET HA A 61 MET HGx 1.0 . 4.17 539 481 A 15 ALA HA A 16 PHE H 1.0 . 2.81 540 482 A 15 ALA HA A 9 CYS H 1.0 . 4.59 541 483 A 15 ALA HA A 8 ASN HBx 1.0 . 4.30 542 484 A 15 ALA HA A 18 GLY H 1.0 . 5.12 543 485 A 64 GLN HA A 64 GLN HBx 1.0 . 2.98 544 486 A 64 GLN HA A 64 GLN HE2y 1.0 . 5.23 545 487 A 11 ILE HG2% A 49 TRP HBx 1.0 . 4.82 546 487 A 49 TRP HBy A 11 ILE HG2% 1.0 . 4.82 547 488 A 25 VAL H A 26 PRO HDy 1.0 . 5.50 548 489 A 70 GLU H A 70 GLU HGx 1.0 . 3.37 549 489 A 70 GLU H A 70 GLU HGy 1.0 . 3.37 550 490 A 8 ASN HA A 8 ASN HD2x 1.0 . 5.50 551 491 A 8 ASN HA A 13 ARG HA 1.0 . 4.45 552 492 A 15 ALA HB% A 8 ASN HA 1.0 . 4.74 553 493 A 8 ASN HA A 8 ASN HD2y 1.0 . 5.50 554 494 A 16 PHE HA A 32 LEU HDy% 1.0 . 4.58 555 495 A 16 PHE HE% A 16 PHE HA 1.0 . 4.53 556 496 A 40 CYS H A 39 HIS HBx 1.0 . 4.63 557 497 A 70 GLU HA A 70 GLU HGx 1.0 . 3.59 558 497 A 70 GLU HGy A 70 GLU HA 1.0 . 3.59 559 498 A 45 CYS HBy A 11 ILE HB 1.0 . 4.72 560 499 A 58 HIS HA A 66 TRP HBy 1.0 . 3.92 561 500 A 65 GLU H A 58 HIS HA 1.0 . 5.42 562 501 A 66 TRP HBx A 58 HIS HA 1.0 . 4.63 563 502 A 58 HIS HA A 58 HIS HBx 1.0 . 2.94 564 502 A 58 HIS HBy A 58 HIS HA 1.0 . 2.94 565 503 A 48 LYS HA A 48 LYS HGx 1.0 . 3.45 566 503 A 48 LYS HA A 48 LYS HGy 1.0 . 3.45 567 504 A 49 TRP H A 46 ILE HA 1.0 . 4.43 568 505 A 48 LYS HA A 48 LYS HDx 1.0 . 3.75 569 505 A 48 LYS HA A 48 LYS HDy 1.0 . 3.75 570 506 A 38 SER H A 37 CYS HBx 1.0 . 4.38 571 507 A 22 ASP H A 22 ASP HBy 1.0 . 4.08 572 508 A 22 ASP H A 22 ASP HBx 1.0 . 4.08 573 509 A 36 GLN HBx A 36 GLN HE2y 1.0 . 5.50 574 510 A 47 LEU HA A 50 LEU HDy% 1.0 . 3.84 575 511 A 47 LEU HA A 47 LEU HBy 1.0 . 2.40 576 512 A 47 LEU HA A 47 LEU HG 1.0 . 3.56 577 513 A 48 LYS HEx A 48 LYS HGx 1.0 . 3.23 578 513 A 48 LYS HEy A 48 LYS HGx 1.0 . 3.23 579 513 A 48 LYS HGy A 48 LYS HEx 1.0 . 3.23 580 513 A 48 LYS HGy A 48 LYS HEy 1.0 . 3.23 581 514 A 69 LYS HGy A 69 LYS HEx 1.0 . 3.64 582 514 A 69 LYS HEy A 69 LYS HGy 1.0 . 3.64 583 515 A 69 LYS HA A 69 LYS HEx 1.0 . 4.38 584 515 A 69 LYS HA A 69 LYS HEy 1.0 . 4.38 585 516 A 24 LYS HEx A 24 LYS HGx 1.0 . 2.79 586 516 A 24 LYS HEy A 24 LYS HGx 1.0 . 2.79 587 516 A 24 LYS HGy A 24 LYS HEx 1.0 . 2.79 588 516 A 24 LYS HGy A 24 LYS HEy 1.0 . 2.79 589 517 A 69 LYS HEy A 69 LYS HGx 1.0 . 3.64 590 517 A 69 LYS HEx A 69 LYS HGx 1.0 . 3.64 591 518 A 69 LYS H A 69 LYS HEx 1.0 . 5.50 592 518 A 69 LYS H A 69 LYS HEy 1.0 . 5.50 593 519 A 69 LYS HBx A 69 LYS HEx 1.0 . 4.31 594 519 A 69 LYS HBx A 69 LYS HEy 1.0 . 4.31 595 520 A 50 LEU HDx% A 66 TRP HBy 1.0 . 4.23 596 521 A 50 LEU HBx A 50 LEU HDx% 1.0 . 3.28 597 522 A 50 LEU HDx% A 57 GLN HBy 1.0 . 3.53 598 523 A 50 LEU HDx% A 57 GLN HA 1.0 . 3.51 599 524 A 50 LEU HDx% A 66 TRP HBx 1.0 . 3.69 600 525 A 50 LEU HDx% A 57 GLN HE2y 1.0 . 4.25 601 526 A 50 LEU HDx% A 66 TRP HD1 1.0 . 3.13 602 527 A 50 LEU HDx% A 57 GLN HBx 1.0 . 3.53 603 528 A 50 LEU HBy A 50 LEU HDx% 1.0 . 2.62 604 529 A 24 LYS H A 24 LYS HGx 1.0 . 5.50 605 529 A 24 LYS H A 24 LYS HGy 1.0 . 5.50 606 530 A 45 CYS HBx A 11 ILE HB 1.0 . 3.38 607 531 A 47 LEU HA A 47 LEU HDx% 1.0 . 3.38 608 532 A 43 MET HGx A 47 LEU HDx% 1.0 . 4.03 609 533 A 47 LEU H A 47 LEU HDx% 1.0 . 4.42 610 534 A 47 LEU HBx A 47 LEU HDx% 1.0 . 2.99 611 535 A 43 MET HE% A 47 LEU HDx% 1.0 . 3.10 612 536 A 43 MET HGy A 47 LEU HDx% 1.0 . 4.47 613 537 A 24 LYS HA A 24 LYS HGx 1.0 . 3.96 614 537 A 24 LYS HA A 24 LYS HGy 1.0 . 3.96 615 538 A 69 LYS HA A 69 LYS HGy 1.0 . 3.78 616 539 A 69 LYS HA A 69 LYS HGx 1.0 . 3.78 617 540 A 69 LYS HA A 69 LYS HDx 1.0 . 4.02 618 540 A 69 LYS HA A 69 LYS HDy 1.0 . 4.02 619 541 A 46 ILE H A 44 HIS HBy 1.0 . 5.50 620 542 A 67 LYS HA A 67 LYS HGx 1.0 . 3.52 621 542 A 67 LYS HGy A 67 LYS HA 1.0 . 3.52 622 543 A 67 LYS H A 67 LYS HGx 1.0 . 4.31 623 543 A 67 LYS H A 67 LYS HGy 1.0 . 4.31 624 544 A 68 PHE H A 67 LYS HGx 1.0 . 4.46 625 544 A 68 PHE H A 67 LYS HGy 1.0 . 4.46 626 545 A 67 LYS HEx A 67 LYS HGx 1.0 . 3.89 627 545 A 67 LYS HEy A 67 LYS HGx 1.0 . 3.89 628 545 A 67 LYS HGy A 67 LYS HEx 1.0 . 3.89 629 545 A 67 LYS HGy A 67 LYS HEy 1.0 . 3.89 630 546 A 46 ILE HD1% A 60 PRO HGx 1.0 . 4.70 631 547 A 46 ILE HG1y A 60 PRO HGx 1.0 . 4.65 632 548 A 46 ILE HG1y A 49 TRP HBx 1.0 . 5.46 633 548 A 46 ILE HG1y A 49 TRP HBy 1.0 . 5.46 634 549 A 46 ILE HG1y A 41 PHE HBx 1.0 . 5.50 635 550 A 11 ILE HD1% A 49 TRP HBx 1.0 . 3.23 636 550 A 11 ILE HD1% A 49 TRP HBy 1.0 . 3.23 637 551 A 11 ILE HD1% A 11 ILE HB 1.0 . 3.24 638 552 A 11 ILE HD1% A 41 PHE HD% 1.0 . 3.74 639 553 A 45 CYS HBx A 11 ILE HD1% 1.0 . 3.44 640 554 A 11 ILE HD1% A 41 PHE HE% 1.0 . 4.29 641 555 A 11 ILE HD1% A 12 CYS H 1.0 . 4.69 642 556 A 11 ILE HD1% A 45 CYS HBy 1.0 . 3.92 643 557 A 11 ILE HD1% A 46 ILE HA 1.0 . 3.13 644 558 A 25 VAL HA A 24 LYS HGx 1.0 . 5.36 645 558 A 24 LYS HGy A 25 VAL HA 1.0 . 5.36 646 559 A 69 LYS HBx A 68 PHE HA 1.0 . 5.33 647 560 A 54 GLN HE2y A 54 GLN HBx 1.0 . 5.50 648 561 A 68 PHE H A 67 LYS HA 1.0 . 2.87 649 562 A 67 LYS HA A 67 LYS HDx 1.0 . 3.77 650 562 A 67 LYS HDy A 67 LYS HA 1.0 . 3.77 651 563 A 67 LYS HA A 67 LYS HEx 1.0 . 4.03 652 563 A 67 LYS HA A 67 LYS HEy 1.0 . 4.03 653 564 A 55 VAL H A 53 GLN HGy 1.0 . 5.50 654 565 A 55 VAL H A 53 GLN HGx 1.0 . 5.50 655 566 A 54 GLN H A 53 GLN HGy 1.0 . 5.50 656 567 A 54 GLN H A 53 GLN HGx 1.0 . 5.50 657 568 A 46 ILE HG1y A 41 PHE HBy 1.0 . 4.19 658 569 A 46 ILE HB A 41 PHE HBy 1.0 . 3.68 659 570 A 16 PHE HZ A 32 LEU HDy% 1.0 . 5.50 660 571 A 16 PHE HD% A 32 LEU HDy% 1.0 . 3.96 661 572 A 16 PHE HBx A 32 LEU HDy% 1.0 . 3.93 662 573 A 46 ILE HD1% A 50 LEU HDy% 1.0 . 4.33 663 574 A 50 LEU HDy% A 68 PHE HZ 1.0 . 3.64 664 575 A 50 LEU H A 50 LEU HDy% 1.0 . 3.97 665 576 A 50 LEU HBx A 50 LEU HDy% 1.0 . 3.03 666 577 A 66 TRP HBx A 50 LEU HDy% 1.0 . 4.51 667 578 A 50 LEU HA A 50 LEU HDy% 1.0 . 4.58 668 579 A 57 GLN HE2x A 66 TRP HA 1.0 . 4.72 669 580 A 67 LYS H A 66 TRP HA 1.0 . 2.72 670 581 A 53 GLN HA A 53 GLN HE2x 1.0 . 5.50 671 582 A 24 LYS H A 24 LYS HEx 1.0 . 5.07 672 582 A 24 LYS H A 24 LYS HEy 1.0 . 5.07 673 583 A 24 LYS HA A 24 LYS HEx 1.0 . 4.36 674 583 A 24 LYS HA A 24 LYS HEy 1.0 . 4.36 675 584 A 47 LEU HBx A 48 LYS HEx 1.0 . 5.50 676 584 A 47 LEU HBx A 48 LYS HEy 1.0 . 5.50 677 585 A 26 PRO HA A 24 LYS HEx 1.0 . 4.30 678 585 A 24 LYS HEy A 26 PRO HA 1.0 . 4.30 679 586 A 63 ARG HDy A 63 ARG HBx 1.0 . 4.05 680 586 A 63 ARG HBx A 63 ARG HDx 1.0 . 4.05 681 587 A 63 ARG HDy A 63 ARG HBy 1.0 . 4.05 682 587 A 63 ARG HBy A 63 ARG HDx 1.0 . 4.05 683 588 A 63 ARG HA A 63 ARG HDx 1.0 . 4.47 684 588 A 63 ARG HDy A 63 ARG HA 1.0 . 4.47 685 589 A 8 ASN H A 6 ASP HBx 1.0 . 4.55 686 589 A 8 ASN H A 6 ASP HBy 1.0 . 4.55 687 590 A 65 GLU HA A 58 HIS HA 1.0 . 3.47 688 591 A 48 LYS HA A 51 HIS HBx 1.0 . 3.39 689 591 A 48 LYS HA A 51 HIS HBy 1.0 . 3.39 690 592 A 48 LYS H A 49 TRP HBx 1.0 . 4.60 691 592 A 49 TRP HBy A 48 LYS H 1.0 . 4.60 692 593 A 10 GLY H A 9 CYS HBy 1.0 . 4.32 693 594 A 25 VAL HGy% A 26 PRO HDx 1.0 . 4.64 694 595 A 25 VAL HA A 25 VAL HGy% 1.0 . 3.27 695 596 A 26 PRO HDy A 25 VAL HGy% 1.0 . 4.64 696 597 A 14 MET HA A 14 MET HGy 1.0 . 4.06 697 598 A 14 MET HA A 14 MET HGx 1.0 . 4.06 698 599 A 33 VAL H A 33 VAL HGy% 1.0 . 4.02 699 600 A 33 VAL HA A 33 VAL HGx% 1.0 . 3.38 700 601 A 50 LEU HBy A 52 ALA H 1.0 . 5.50 701 602 A 50 LEU HBx A 52 ALA H 1.0 . 5.50 702 603 A 50 LEU HBy A 57 GLN HA 1.0 . 5.50 703 604 A 50 LEU HBx A 57 GLN HA 1.0 . 5.50 704 605 A 50 LEU HBy A 51 HIS H 1.0 . 4.88 705 606 A 14 MET H A 8 ASN HBx 1.0 . 5.50 706 607 A 14 MET H A 8 ASN HBy 1.0 . 5.50 707 608 A 33 VAL HA A 33 VAL HGy% 1.0 . 3.38 708 609 A 33 VAL HA A 34 TRP HE3 1.0 . 2.85 709 610 A 15 ALA H A 14 MET HE% 1.0 . 4.48 710 611 A 14 MET H A 14 MET HE% 1.0 . 4.81 711 612 A 14 MET HA A 14 MET HE% 1.0 . 3.48 712 613 A 49 TRP HA A 49 TRP HBx 1.0 . 2.92 713 613 A 49 TRP HBy A 49 TRP HA 1.0 . 2.92 714 614 A 25 VAL HA A 26 PRO HDy 1.0 . 3.58 715 615 A 25 VAL HA A 26 PRO HDx 1.0 . 3.58 716 616 A 12 CYS H A 10 GLY HAy 1.0 . 5.50 717 617 A 12 CYS H A 10 GLY HAx 1.0 . 5.50 718 618 A 66 TRP HH2 A 34 TRP HA 1.0 . 4.88 719 619 A 34 TRP HA A 34 TRP HE1 1.0 . 5.50 720 620 A 61 MET HA A 61 MET HGy 1.0 . 4.17 721 621 A 40 CYS H A 39 HIS HBy 1.0 . 4.63 722 622 A 11 ILE HA A 11 ILE HG1x 1.0 . 3.46 723 623 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.05 724 624 A 11 ILE HA A 11 ILE HG1y 1.0 . 3.46 725 625 A 37 CYS H A 36 GLN HGx 1.0 . 4.48 726 626 A 47 LEU HBy A 68 PHE HZ 1.0 . 4.20 727 627 A 69 LYS H A 67 LYS HGx 1.0 . 5.16 728 627 A 69 LYS H A 67 LYS HGy 1.0 . 5.16 729 628 A 69 LYS H A 69 LYS HGx 1.0 . 5.50 730 629 A 30 CYS HA A 31 PRO HDy 1.0 . 3.53 731 630 A 38 SER H A 37 CYS HBy 1.0 . 4.38 732 631 A 47 LEU HA A 49 TRP H 1.0 . 4.98 733 632 A 47 LEU HA A 51 HIS H 1.0 . 5.22 734 633 A 44 HIS HBy A 44 HIS HE1 1.0 . 4.83 735 634 A 57 GLN HE2x A 57 GLN HA 1.0 . 5.50 736 635 A 46 ILE HB A 43 MET HA 1.0 . 5.33 737 636 A 22 ASP H A 21 PRO HDy 1.0 . 4.52 738 637 A 46 ILE HD1% A 59 CYS HA 1.0 . 4.23 739 638 A 60 PRO HDy A 59 CYS HA 1.0 . 3.04 740 639 A 59 CYS HA A 60 PRO HDx 1.0 . 2.77 741 640 A 50 LEU H A 47 LEU HDy% 1.0 . 5.50 742 641 A 44 HIS H A 47 LEU HDy% 1.0 . 5.50 743 642 A 60 PRO HGx A 49 TRP HE1 1.0 . 5.50 744 643 A 43 MET HGx A 47 LEU HDy% 1.0 . 3.66 745 644 A 47 LEU H A 47 LEU HDy% 1.0 . 4.19 746 645 A 47 LEU HBx A 47 LEU HDy% 1.0 . 2.75 747 646 A 43 MET HE% A 47 LEU HDy% 1.0 . 3.75 748 647 A 43 MET HGy A 47 LEU HDy% 1.0 . 4.05 749 648 A 45 CYS H A 47 LEU HDy% 1.0 . 5.44 750 649 A 70 GLU H A 69 LYS HBy 1.0 . 4.72 751 650 A 69 LYS HBy A 69 LYS HEx 1.0 . 5.50 752 650 A 69 LYS HBy A 69 LYS HEy 1.0 . 5.50 753 651 A 35 GLY HAy A 69 LYS HBy 1.0 . 4.08 754 652 A 68 PHE HA A 69 LYS HBy 1.0 . 4.94 755 653 A 56 GLN HA A 56 GLN HBx 1.0 . 3.01 756 653 A 56 GLN HBy A 56 GLN HA 1.0 . 3.01 757 654 A 56 GLN HA A 56 GLN HGx 1.0 . 3.41 758 654 A 56 GLN HGy A 56 GLN HA 1.0 . 3.41 759 655 A 41 PHE HD% A 11 ILE HG1y 1.0 . 5.50 760 656 A 25 VAL HGx% A 26 PRO HDx 1.0 . 4.64 761 657 A 25 VAL H A 25 VAL HGx% 1.0 . 4.25 762 658 A 25 VAL HA A 25 VAL HGx% 1.0 . 3.27 763 659 A 25 VAL HGx% A 26 PRO HDy 1.0 . 4.64 764 660 A 55 VAL HA A 55 VAL HGx% 1.0 . 2.96 765 660 A 55 VAL HGy% A 55 VAL HA 1.0 . 2.96 766 661 A 47 LEU H A 44 HIS HA 1.0 . 4.61 767 662 A 44 HIS HD2 A 44 HIS HA 1.0 . 3.09 768 663 A 44 HIS HA A 47 LEU HDy% 1.0 . 3.55 769 664 A 47 LEU HBx A 44 HIS HA 1.0 . 3.80 770 665 A 47 LEU HA A 68 PHE HZ 1.0 . 4.68 771 666 A 46 ILE HG1x A 50 LEU HBy 1.0 . 5.18 772 667 A 36 GLN HE2y A 67 LYS HBy 1.0 . 5.50 773 668 A 36 GLN HE2y A 67 LYS HBx 1.0 . 5.50 774 669 A 54 GLN HE2x A 54 GLN HBy 1.0 . 5.50 775 670 A 54 GLN HE2x A 54 GLN HBx 1.0 . 5.50 776 671 A 48 LYS HA A 48 LYS HEx 1.0 . 4.06 777 671 A 48 LYS HA A 48 LYS HEy 1.0 . 4.06 778 672 A 48 LYS HBx A 48 LYS HEx 1.0 . 4.27 779 672 A 48 LYS HBx A 48 LYS HEy 1.0 . 4.27 780 673 A 48 LYS HDx A 48 LYS HEx 1.0 . 2.78 781 673 A 48 LYS HDy A 48 LYS HEx 1.0 . 2.78 782 673 A 48 LYS HEy A 48 LYS HDx 1.0 . 2.78 783 673 A 48 LYS HDy A 48 LYS HEy 1.0 . 2.78 784 674 A 48 LYS HBy A 48 LYS HEx 1.0 . 3.78 785 674 A 48 LYS HBy A 48 LYS HEy 1.0 . 3.78 786 675 A 61 MET H A 60 PRO HDx 1.0 . 4.29 787 676 A 46 ILE HG1y A 46 ILE HG2% 1.0 . 3.20 788 677 A 46 ILE HG1x A 46 ILE HG2% 1.0 . 3.20 789 678 A 46 ILE HG2% A 46 ILE HA 1.0 . 3.75 790 679 A 57 GLN HE2x A 66 TRP HBx 1.0 . 5.26 791 680 A 67 LYS H A 66 TRP HBy 1.0 . 4.77 792 681 A 50 LEU HDy% A 66 TRP HBy 1.0 . 5.50 793 682 A 66 TRP HBy A 49 TRP HZ2 1.0 . 4.64 794 683 A 66 TRP HBx A 57 GLN HE2y 1.0 . 4.17 795 684 A 59 CYS H A 66 TRP HBy 1.0 . 5.50 796 685 A 46 ILE HB A 41 PHE HBx 1.0 . 3.80 797 686 A 23 CYS H A 21 PRO HA 1.0 . 4.65 798 687 A 32 LEU HG A 32 LEU HA 1.0 . 3.90 799 688 A 6 ASP HA A 6 ASP HBx 1.0 . 3.02 800 688 A 6 ASP HBy A 6 ASP HA 1.0 . 3.02 801 689 A 53 GLN H A 51 HIS HA 1.0 . 5.50 802 690 A 15 ALA HB% A 16 PHE H 1.0 . 3.21 803 691 A 68 PHE HE% A 33 VAL HGx% 1.0 . 3.76 804 692 A 64 GLN HBx A 64 GLN HE2x 1.0 . 5.50 805 693 A 64 GLN HBy A 64 GLN HE2x 1.0 . 5.50 806 694 A 64 GLN HBy A 64 GLN HE2y 1.0 . 5.50 807 695 A 50 LEU HDx% A 50 LEU HA 1.0 . 3.08 808 696 A 50 LEU HA A 49 TRP HE3 1.0 . 5.33 809 697 A 21 PRO HGy A 12 CYS HBy 1.0 . 4.50 810 697 A 12 CYS HBy A 21 PRO HGx 1.0 . 4.50 811 698 A 21 PRO HGy A 12 CYS HBx 1.0 . 4.50 812 698 A 12 CYS HBx A 21 PRO HGx 1.0 . 4.50 813 699 A 24 LYS H A 23 CYS HA 1.0 . 3.38 814 700 A 34 TRP HBy A 34 TRP HZ3 1.0 . 5.24 815 701 A 64 GLN H A 63 ARG HA 1.0 . 3.53 816 702 A 63 ARG HA A 63 ARG HGx 1.0 . 3.59 817 702 A 63 ARG HGy A 63 ARG HA 1.0 . 3.59 818 703 A 51 HIS H A 48 LYS HDx 1.0 . 5.50 819 703 A 51 HIS H A 48 LYS HDy 1.0 . 5.50 820 704 A 30 CYS HA A 31 PRO HDx 1.0 . 3.53 821 705 A 63 ARG HA A 58 HIS HBx 1.0 . 3.58 822 705 A 58 HIS HBy A 63 ARG HA 1.0 . 3.58 823 706 A 48 LYS HBx A 49 TRP HBx 1.0 . 5.50 824 706 A 49 TRP HBy A 48 LYS HBx 1.0 . 5.50 825 707 A 48 LYS HBy A 49 TRP HBx 1.0 . 5.50 826 707 A 49 TRP HBy A 48 LYS HBy 1.0 . 5.50 827 708 A 61 MET HE% A 61 MET HBy 1.0 . 3.25 828 709 A 61 MET HE% A 61 MET HBx 1.0 . 3.25 829 710 A 61 MET HA A 61 MET HE% 1.0 . 4.39 830 711 A 61 MET H A 61 MET HE% 1.0 . 4.83 831 712 A 14 MET H A 14 MET HGx 1.0 . 4.64 832 713 A 14 MET H A 13 ARG HDx 1.0 . 4.89 833 713 A 14 MET H A 13 ARG HDy 1.0 . 4.89 834 714 A 13 ARG HDy A 13 ARG HBx 1.0 . 4.05 835 714 A 13 ARG HBx A 13 ARG HDx 1.0 . 4.05 836 715 A 13 ARG H A 13 ARG HDx 1.0 . 4.96 837 715 A 13 ARG H A 13 ARG HDy 1.0 . 4.96 838 716 A 64 GLN H A 63 ARG HDx 1.0 . 5.50 839 716 A 63 ARG HDy A 64 GLN H 1.0 . 5.50 840 717 A 13 ARG HDy A 13 ARG HBy 1.0 . 4.05 841 717 A 13 ARG HBy A 13 ARG HDx 1.0 . 4.05 842 718 A 36 GLN HE2x A 36 GLN HBx 1.0 . 5.50 843 719 A 48 LYS H A 47 LEU HBx 1.0 . 3.83 844 720 A 69 LYS H A 69 LYS HDx 1.0 . 5.02 845 720 A 69 LYS H A 69 LYS HDy 1.0 . 5.02 846 721 A 50 LEU H A 50 LEU HG 1.0 . 4.24 847 722 A 46 ILE HD1% A 46 ILE HA 1.0 . 2.97 848 723 A 46 ILE HA A 49 TRP HBx 1.0 . 3.09 849 723 A 49 TRP HBy A 46 ILE HA 1.0 . 3.09 850 724 A 46 ILE HG1y A 46 ILE HA 1.0 . 4.00 851 725 A 46 ILE HG1x A 46 ILE HA 1.0 . 4.05 852 726 A 48 LYS HA A 47 LEU HDy% 1.0 . 4.02 853 727 A 49 TRP HZ2 A 60 PRO HA 1.0 . 5.09 854 728 A 43 MET HGy A 43 MET HE% 1.0 . 3.41 855 729 A 43 MET HE% A 43 MET HA 1.0 . 3.80 856 730 A 47 LEU H A 47 LEU HG 1.0 . 5.03 857 731 A 69 LYS HBx A 35 GLY HAy 1.0 . 3.68 858 732 A 48 LYS HBy A 45 CYS HA 1.0 . 3.84 859 733 A 67 LYS H A 67 LYS HEx 1.0 . 5.50 860 733 A 67 LYS H A 67 LYS HEy 1.0 . 5.50 861 734 A 47 LEU H A 43 MET HGx 1.0 . 4.32 862 735 A 43 MET HGx A 43 MET HE% 1.0 . 4.35 863 736 A 12 CYS HA A 11 ILE HG2% 1.0 . 4.03 864 737 A 11 ILE H A 11 ILE HG2% 1.0 . 3.91 865 738 A 45 CYS HBx A 11 ILE HG2% 1.0 . 3.09 866 739 A 11 ILE HD1% A 11 ILE HG2% 1.0 . 2.89 867 740 A 11 ILE HG2% A 11 ILE HA 1.0 . 3.11 868 741 A 12 CYS H A 11 ILE HG2% 1.0 . 3.48 869 742 A 11 ILE HG2% A 45 CYS HA 1.0 . 3.99 870 743 A 43 MET HGx A 43 MET HA 1.0 . 3.52 871 744 A 43 MET HGy A 43 MET HA 1.0 . 3.83 872 745 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.64 873 745 A 3 VAL HA A 3 VAL HGy% 1.0 . 3.64 874 746 A 16 PHE HZ A 41 PHE H 1.0 . 5.43 875 747 A 42 HIS H A 42 HIS HE1 1.0 . 4.58 876 748 A 42 HIS H A 42 HIS HD2 1.0 . 5.07 877 749 A 66 TRP HH2 A 35 GLY HAy 1.0 . 3.42 878 750 A 33 VAL HA A 34 TRP HZ3 1.0 . 3.64 879 751 A 49 TRP HE3 A 49 TRP HBx 1.0 . 3.91 880 751 A 49 TRP HBy A 49 TRP HE3 1.0 . 3.91 881 752 A 49 TRP HA A 49 TRP HE3 1.0 . 4.91 882 753 A 66 TRP HBx A 49 TRP HH2 1.0 . 4.13 883 754 A 41 PHE HE% A 40 CYS H 1.0 . 5.50 884 755 A 46 ILE H A 41 PHE HD% 1.0 . 5.50 885 756 A 44 HIS HD2 A 47 LEU HDy% 1.0 . 4.04 886 757 A 16 PHE HE% A 9 CYS HBy 1.0 . 3.41 887 758 A 68 PHE HE% A 47 LEU HDx% 1.0 . 3.38 888 759 A 68 PHE HZ A 47 LEU HDx% 1.0 . 2.84 889 760 A 68 PHE HE% A 50 LEU HDy% 1.0 . 4.24 890 761 A 44 HIS HD2 A 43 MET HBx 1.0 . 4.79 891 762 A 44 HIS HD2 A 43 MET HGx 1.0 . 4.70 892 763 A 44 HIS HD2 A 43 MET HGy 1.0 . 3.49 893 764 A 47 LEU HBx A 68 PHE HZ 1.0 . 4.80 894 765 A 60 PRO HDx A 49 TRP HZ2 1.0 . 3.73 895 766 A 66 TRP HE1 A 68 PHE HZ 1.0 . 4.08 896 767 A 16 PHE HE% A 9 CYS H 1.0 . 5.50 897 768 A 69 LYS H A 66 TRP HH2 1.0 . 5.50 898 769 A 60 PRO HDy A 66 TRP HE3 1.0 . 5.50 899 770 A 66 TRP H A 66 TRP HE3 1.0 . 4.77 900 771 A 68 PHE HE% A 66 TRP HZ2 1.0 . 3.36 901 772 A 16 PHE HBx A 34 TRP HZ2 1.0 . 4.38 902 773 A 44 HIS H A 44 HIS HE1 1.0 . 5.50 903 774 A 30 CYS HA A 44 HIS HE1 1.0 . 3.31 904 775 A 40 CYS H A 39 HIS HD2 1.0 . 3.55 905 776 A 39 HIS H A 39 HIS HD2 1.0 . 5.42 906 777 A 39 HIS HA A 39 HIS HD2 1.0 . 3.24 907 778 A 61 MET HE% A 39 HIS HD2 1.0 . 3.66 908 779 A 41 PHE HE% A 12 CYS H 1.0 . 5.50 909 780 A 41 PHE HE% A 10 GLY H 1.0 . 4.05 910 781 A 51 HIS HD2 A 51 HIS HBx 1.0 . 3.30 911 781 A 51 HIS HBy A 51 HIS HD2 1.0 . 3.30 912 782 A 51 HIS H A 51 HIS HD2 1.0 . 5.36 913 783 A 51 HIS HA A 51 HIS HD2 1.0 . 4.87 914 784 A 60 PRO HGx A 49 TRP HH2 1.0 . 5.50 915 785 A 44 HIS HBx A 44 HIS HD2 1.0 . 3.31 916 786 A 16 PHE HZ A 32 LEU HDx% 1.0 . 5.50 917 787 A 40 CYS H A 16 PHE HZ 1.0 . 4.18 918 788 A 10 GLY H A 16 PHE HZ 1.0 . 5.50 919 789 A 66 TRP HBy A 49 TRP HH2 1.0 . 4.22 920 790 A 49 TRP HH2 A 66 TRP HA 1.0 . 5.05 921 791 A 66 TRP HE1 A 49 TRP HH2 1.0 . 5.50 922 792 A 66 TRP HD1 A 49 TRP HH2 1.0 . 4.83 923 793 A 35 GLY HAx A 66 TRP HH2 1.0 . 3.72 924 794 A 66 TRP H A 49 TRP HH2 1.0 . 4.63 925 795 A 49 TRP HD1 A 49 TRP HBx 1.0 . 3.11 926 795 A 49 TRP HBy A 49 TRP HD1 1.0 . 3.11 927 796 A 49 TRP HA A 49 TRP HD1 1.0 . 4.81 928 797 A 41 PHE HD% A 41 PHE HA 1.0 . 3.91 929 798 A 41 PHE HD% A 11 ILE HG1x 1.0 . 5.50 930 799 A 41 PHE HE% A 10 GLY HAx 1.0 . 4.40 931 800 A 41 PHE HE% A 10 GLY HAy 1.0 . 4.40 932 801 A 41 PHE HD% A 41 PHE H 1.0 . 4.14 933 802 A 16 PHE HD% A 32 LEU HDx% 1.0 . 3.96 934 803 A 16 PHE HA A 16 PHE HD% 1.0 . 2.72 935 804 A 16 PHE H A 16 PHE HD% 1.0 . 3.62 936 805 A 58 HIS HA A 58 HIS HE1 1.0 . 5.50 937 806 A 41 PHE H A 39 HIS HE1 1.0 . 4.73 938 807 A 58 HIS H A 58 HIS HE1 1.0 . 5.25 939 808 A 58 HIS HA A 58 HIS HD2 1.0 . 4.27 940 809 A 58 HIS H A 58 HIS HD2 1.0 . 5.00 941 810 A 58 HIS HD2 A 58 HIS HBx 1.0 . 3.78 942 810 A 58 HIS HBy A 58 HIS HD2 1.0 . 3.78 943 811 A 68 PHE HE% A 68 PHE HA 1.0 . 4.48 944 812 A 68 PHE HE% A 33 VAL HGy% 1.0 . 3.76 945 813 A 68 PHE HE% A 47 LEU HBy 1.0 . 4.48 946 814 A 66 TRP HBy A 66 TRP HE3 1.0 . 3.58 947 815 A 66 TRP HA A 66 TRP HE3 1.0 . 2.64 948 816 A 34 TRP H A 34 TRP HE3 1.0 . 4.20 949 817 A 34 TRP HA A 34 TRP HE3 1.0 . 4.42 950 818 A 68 PHE HD% A 68 PHE HZ 1.0 . 3.81 951 819 A 68 PHE HD% A 66 TRP HZ2 1.0 . 3.19 952 820 A 68 PHE HD% A 68 PHE HA 1.0 . 3.27 953 821 A 68 PHE H A 68 PHE HD% 1.0 . 3.79 954 822 A 69 LYS H A 68 PHE HD% 1.0 . 4.72 955 823 A 49 TRP HZ3 A 49 TRP HBx 1.0 . 5.00 956 823 A 49 TRP HBy A 49 TRP HZ3 1.0 . 5.00 957 824 A 66 TRP HBy A 66 TRP HD1 1.0 . 3.64 958 825 A 49 TRP HZ3 A 66 TRP HD1 1.0 . 5.50 959 826 A 50 LEU HDy% A 66 TRP HD1 1.0 . 3.06 960 827 A 66 TRP HD1 A 66 TRP HA 1.0 . 4.91 961 828 A 66 TRP HBx A 66 TRP HD1 1.0 . 3.38 962 829 A 57 GLN HE2y A 66 TRP HD1 1.0 . 5.50 963 830 A 34 TRP HA A 34 TRP HD1 1.0 . 4.61 964 831 A 34 TRP HBx A 34 TRP HD1 1.0 . 2.95 965 832 A 51 HIS HA A 51 HIS HE1 1.0 . 4.86 966 833 A 14 MET H A 42 HIS HE1 1.0 . 3.49 967 834 A 42 HIS HBy A 42 HIS HE1 1.0 . 5.03 968 835 A 9 CYS HBy A 42 HIS HE1 1.0 . 2.77 969 836 A 9 CYS HBx A 42 HIS HE1 1.0 . 3.14 970 837 A 9 CYS H A 42 HIS HE1 1.0 . 4.23 971 838 A 12 CYS H A 42 HIS HE1 1.0 . 4.78 972 839 A 42 HIS HBx A 42 HIS HD2 1.0 . 3.20 973 840 A 5 ASN HD2y A 5 ASN HA 1.0 . 3.36 974 840 A 5 ASN HA A 5 ASN HD2x 1.0 . 3.36 975 841 A 5 ASN HD2y A 5 ASN HBy 1.0 . 3.21 976 841 A 5 ASN HD2x A 5 ASN HBx 1.0 . 3.21 977 841 A 5 ASN HD2y A 5 ASN HBx 1.0 . 3.21 978 841 A 5 ASN HD2x A 5 ASN HBy 1.0 . 3.21 979 842 A 6 ASP H A 5 ASN HBy 1.0 . 3.83 980 842 A 6 ASP H A 5 ASN HBx 1.0 . 3.83 981 843 A 7 GLU H A 7 GLU HBx 1.0 . 3.07 982 843 A 7 GLU H A 7 GLU HBy 1.0 . 3.07 983 844 A 8 ASN H A 7 GLU HBx 1.0 . 3.88 984 844 A 8 ASN H A 7 GLU HBy 1.0 . 3.88 985 845 A 8 ASN H A 8 ASN HD2y 1.0 . 4.25 986 845 A 8 ASN H A 8 ASN HD2x 1.0 . 4.25 987 846 A 8 ASN HA A 8 ASN HD2y 1.0 . 4.69 988 846 A 8 ASN HA A 8 ASN HD2x 1.0 . 4.69 989 847 A 8 ASN HA A 13 ARG HBy 1.0 . 5.34 990 847 A 8 ASN HA A 13 ARG HBx 1.0 . 5.34 991 848 A 8 ASN HBx A 8 ASN HD2y 1.0 . 3.59 992 848 A 8 ASN HBx A 8 ASN HD2x 1.0 . 3.59 993 849 A 11 ILE H A 10 GLY HAx 1.0 . 3.03 994 849 A 11 ILE H A 10 GLY HAy 1.0 . 3.03 995 850 A 41 PHE HE% A 10 GLY HAx 1.0 . 3.61 996 850 A 41 PHE HE% A 10 GLY HAy 1.0 . 3.61 997 851 A 11 ILE H A 11 ILE HG1x 1.0 . 3.35 998 851 A 11 ILE H A 11 ILE HG1y 1.0 . 3.35 999 852 A 11 ILE HA A 11 ILE HG1x 1.0 . 2.82 1000 852 A 11 ILE HA A 11 ILE HG1y 1.0 . 2.82 1001 853 A 11 ILE HG2% A 11 ILE HG1x 1.0 . 3.20 1002 853 A 11 ILE HG2% A 11 ILE HG1y 1.0 . 3.20 1003 854 A 11 ILE HG2% A 12 CYS HBy 1.0 . 4.26 1004 854 A 11 ILE HG2% A 12 CYS HBx 1.0 . 4.26 1005 855 A 12 CYS H A 11 ILE HG1x 1.0 . 4.64 1006 855 A 12 CYS H A 11 ILE HG1y 1.0 . 4.64 1007 856 A 41 PHE HD% A 11 ILE HG1x 1.0 . 4.84 1008 856 A 41 PHE HD% A 11 ILE HG1y 1.0 . 4.84 1009 857 A 41 PHE HE% A 11 ILE HG1x 1.0 . 3.46 1010 857 A 41 PHE HE% A 11 ILE HG1y 1.0 . 3.46 1011 858 A 12 CYS H A 12 CYS HBy 1.0 . 3.29 1012 858 A 12 CYS H A 12 CYS HBx 1.0 . 3.29 1013 859 A 12 CYS HA A 12 CYS HBy 1.0 . 2.61 1014 859 A 12 CYS HA A 12 CYS HBx 1.0 . 2.61 1015 860 A 12 CYS HBx A 13 ARG HGy 1.0 . 4.61 1016 860 A 12 CYS HBy A 13 ARG HGy 1.0 . 4.61 1017 860 A 13 ARG HGx A 12 CYS HBy 1.0 . 4.61 1018 860 A 12 CYS HBx A 13 ARG HGx 1.0 . 4.61 1019 861 A 14 MET H A 12 CYS HBy 1.0 . 4.86 1020 861 A 14 MET H A 12 CYS HBx 1.0 . 4.86 1021 862 A 12 CYS HBy A 21 PRO HBx 1.0 . 4.19 1022 862 A 12 CYS HBx A 21 PRO HBx 1.0 . 4.19 1023 862 A 21 PRO HBy A 12 CYS HBy 1.0 . 4.19 1024 862 A 21 PRO HBy A 12 CYS HBx 1.0 . 4.19 1025 863 A 12 CYS HBx A 21 PRO HGx 1.0 . 3.90 1026 863 A 12 CYS HBy A 21 PRO HGx 1.0 . 3.90 1027 863 A 21 PRO HGy A 12 CYS HBy 1.0 . 3.90 1028 863 A 21 PRO HGy A 12 CYS HBx 1.0 . 3.90 1029 864 A 12 CYS HBx A 21 PRO HDx 1.0 . 3.77 1030 864 A 12 CYS HBy A 21 PRO HDx 1.0 . 3.77 1031 864 A 21 PRO HDy A 12 CYS HBy 1.0 . 3.77 1032 864 A 12 CYS HBx A 21 PRO HDy 1.0 . 3.77 1033 865 A 13 ARG H A 13 ARG HGy 1.0 . 3.65 1034 865 A 13 ARG H A 13 ARG HGx 1.0 . 3.65 1035 866 A 13 ARG HA A 13 ARG HGy 1.0 . 3.46 1036 866 A 13 ARG HA A 13 ARG HGx 1.0 . 3.46 1037 867 A 13 ARG HBy A 13 ARG HDx 1.0 . 3.40 1038 867 A 13 ARG HBx A 13 ARG HDx 1.0 . 3.40 1039 867 A 13 ARG HDy A 13 ARG HBy 1.0 . 3.40 1040 867 A 13 ARG HDy A 13 ARG HBx 1.0 . 3.40 1041 868 A 14 MET H A 14 MET HBx 1.0 . 3.21 1042 868 A 14 MET H A 14 MET HBy 1.0 . 3.21 1043 869 A 14 MET H A 14 MET HGy 1.0 . 3.78 1044 869 A 14 MET H A 14 MET HGx 1.0 . 3.78 1045 870 A 14 MET HA A 14 MET HGy 1.0 . 3.38 1046 870 A 14 MET HA A 14 MET HGx 1.0 . 3.38 1047 871 A 14 MET HE% A 14 MET HBx 1.0 . 3.30 1048 871 A 14 MET HE% A 14 MET HBy 1.0 . 3.30 1049 872 A 15 ALA H A 14 MET HBx 1.0 . 3.65 1050 872 A 15 ALA H A 14 MET HBy 1.0 . 3.65 1051 873 A 42 HIS HE1 A 14 MET HBx 1.0 . 2.94 1052 873 A 42 HIS HE1 A 14 MET HBy 1.0 . 2.94 1053 874 A 14 MET HE% A 14 MET HGy 1.0 . 3.13 1054 874 A 14 MET HE% A 14 MET HGx 1.0 . 3.13 1055 875 A 15 ALA H A 14 MET HGy 1.0 . 3.47 1056 875 A 15 ALA H A 14 MET HGx 1.0 . 3.47 1057 876 A 42 HIS HE1 A 14 MET HGy 1.0 . 3.15 1058 876 A 42 HIS HE1 A 14 MET HGx 1.0 . 3.15 1059 877 A 16 PHE HA A 32 LEU HDy% 1.0 . 3.90 1060 877 A 16 PHE HA A 32 LEU HDx% 1.0 . 3.90 1061 878 A 16 PHE HBy A 32 LEU HDy% 1.0 . 3.39 1062 878 A 16 PHE HBy A 32 LEU HDx% 1.0 . 3.39 1063 879 A 16 PHE HBx A 32 LEU HDy% 1.0 . 2.98 1064 879 A 16 PHE HBx A 32 LEU HDx% 1.0 . 2.98 1065 880 A 16 PHE HD% A 32 LEU HDy% 1.0 . 3.35 1066 880 A 16 PHE HD% A 32 LEU HDx% 1.0 . 3.35 1067 881 A 16 PHE HD% A 40 CYS HBy 1.0 . 5.34 1068 881 A 16 PHE HD% A 40 CYS HBx 1.0 . 5.34 1069 882 A 16 PHE HE% A 32 LEU HDy% 1.0 . 4.00 1070 882 A 16 PHE HE% A 32 LEU HDx% 1.0 . 4.00 1071 883 A 16 PHE HE% A 40 CYS HBy 1.0 . 4.07 1072 883 A 16 PHE HE% A 40 CYS HBx 1.0 . 4.07 1073 884 A 16 PHE HZ A 32 LEU HDy% 1.0 . 4.26 1074 884 A 16 PHE HZ A 32 LEU HDx% 1.0 . 4.26 1075 885 A 16 PHE HZ A 40 CYS HBy 1.0 . 4.51 1076 885 A 16 PHE HZ A 40 CYS HBx 1.0 . 4.51 1077 886 A 17 ASN H A 17 ASN HBx 1.0 . 3.17 1078 886 A 17 ASN H A 17 ASN HBy 1.0 . 3.17 1079 887 A 17 ASN H A 17 ASN HD2y 1.0 . 4.55 1080 887 A 17 ASN H A 17 ASN HD2x 1.0 . 4.55 1081 888 A 17 ASN HA A 17 ASN HD2y 1.0 . 3.74 1082 888 A 17 ASN HA A 17 ASN HD2x 1.0 . 3.74 1083 889 A 17 ASN HD2x A 17 ASN HBx 1.0 . 3.16 1084 889 A 17 ASN HD2y A 17 ASN HBy 1.0 . 3.16 1085 889 A 17 ASN HD2y A 17 ASN HBx 1.0 . 3.16 1086 889 A 17 ASN HD2x A 17 ASN HBy 1.0 . 3.16 1087 890 A 18 GLY H A 17 ASN HBx 1.0 . 4.19 1088 890 A 18 GLY H A 17 ASN HBy 1.0 . 4.19 1089 891 A 19 CYS H A 18 GLY HAx 1.0 . 2.81 1090 891 A 19 CYS H A 18 GLY HAy 1.0 . 2.81 1091 892 A 20 CYS H A 20 CYS HBy 1.0 . 3.34 1092 892 A 20 CYS H A 20 CYS HBx 1.0 . 3.34 1093 893 A 20 CYS H A 23 CYS HBy 1.0 . 3.97 1094 893 A 20 CYS H A 23 CYS HBx 1.0 . 3.97 1095 894 A 20 CYS HA A 20 CYS HBy 1.0 . 2.60 1096 894 A 20 CYS HA A 20 CYS HBx 1.0 . 2.60 1097 895 A 20 CYS HA A 21 PRO HDx 1.0 . 3.13 1098 895 A 20 CYS HA A 21 PRO HDy 1.0 . 3.13 1099 896 A 20 CYS HBx A 21 PRO HDx 1.0 . 3.13 1100 896 A 20 CYS HBy A 21 PRO HDx 1.0 . 3.13 1101 896 A 21 PRO HDy A 20 CYS HBy 1.0 . 3.13 1102 896 A 21 PRO HDy A 20 CYS HBx 1.0 . 3.13 1103 897 A 44 HIS HBy A 20 CYS HBy 1.0 . 4.74 1104 897 A 44 HIS HBy A 20 CYS HBx 1.0 . 4.74 1105 898 A 45 CYS H A 20 CYS HBy 1.0 . 5.22 1106 898 A 45 CYS H A 20 CYS HBx 1.0 . 5.22 1107 899 A 22 ASP H A 21 PRO HDx 1.0 . 3.84 1108 899 A 22 ASP H A 21 PRO HDy 1.0 . 3.84 1109 900 A 21 PRO HDx A 23 CYS HBy 1.0 . 4.28 1110 900 A 21 PRO HDy A 23 CYS HBy 1.0 . 4.28 1111 900 A 23 CYS HBx A 21 PRO HDx 1.0 . 4.28 1112 900 A 21 PRO HDy A 23 CYS HBx 1.0 . 4.28 1113 901 A 22 ASP H A 22 ASP HBx 1.0 . 3.34 1114 901 A 22 ASP H A 22 ASP HBy 1.0 . 3.34 1115 902 A 23 CYS H A 22 ASP HBx 1.0 . 3.53 1116 902 A 23 CYS H A 22 ASP HBy 1.0 . 3.53 1117 903 A 23 CYS H A 23 CYS HBy 1.0 . 3.02 1118 903 A 23 CYS H A 23 CYS HBx 1.0 . 3.02 1119 904 A 24 LYS H A 23 CYS HBy 1.0 . 4.31 1120 904 A 24 LYS H A 23 CYS HBx 1.0 . 4.31 1121 905 A 25 VAL H A 23 CYS HBy 1.0 . 5.03 1122 905 A 25 VAL H A 23 CYS HBx 1.0 . 5.03 1123 906 A 24 LYS H A 24 LYS HBx 1.0 . 3.65 1124 906 A 24 LYS H A 24 LYS HBy 1.0 . 3.65 1125 907 A 24 LYS H A 25 VAL HGy% 1.0 . 4.61 1126 907 A 24 LYS H A 25 VAL HGx% 1.0 . 4.61 1127 908 A 24 LYS HBy A 24 LYS HEx 1.0 . 3.55 1128 908 A 24 LYS HBx A 24 LYS HEx 1.0 . 3.55 1129 908 A 24 LYS HEy A 24 LYS HBx 1.0 . 3.55 1130 908 A 24 LYS HEy A 24 LYS HBy 1.0 . 3.55 1131 909 A 25 VAL H A 24 LYS HBx 1.0 . 3.95 1132 909 A 25 VAL H A 24 LYS HBy 1.0 . 3.95 1133 910 A 25 VAL H A 25 VAL HGy% 1.0 . 3.44 1134 910 A 25 VAL H A 25 VAL HGx% 1.0 . 3.44 1135 911 A 25 VAL H A 26 PRO HDx 1.0 . 4.74 1136 911 A 25 VAL H A 26 PRO HDy 1.0 . 4.74 1137 912 A 25 VAL HA A 26 PRO HDx 1.0 . 3.06 1138 912 A 25 VAL HA A 26 PRO HDy 1.0 . 3.06 1139 913 A 25 VAL HGy% A 26 PRO HDx 1.0 . 3.16 1140 913 A 26 PRO HDy A 25 VAL HGy% 1.0 . 3.16 1141 913 A 25 VAL HGx% A 26 PRO HDy 1.0 . 3.16 1142 913 A 25 VAL HGx% A 26 PRO HDx 1.0 . 3.16 1143 914 A 27 GLY H A 26 PRO HBx 1.0 . 4.07 1144 914 A 27 GLY H A 26 PRO HBy 1.0 . 4.07 1145 915 A 29 ASP H A 29 ASP HBx 1.0 . 2.80 1146 915 A 29 ASP H A 29 ASP HBy 1.0 . 2.80 1147 916 A 30 CYS H A 29 ASP HBx 1.0 . 4.02 1148 916 A 30 CYS H A 29 ASP HBy 1.0 . 4.02 1149 917 A 30 CYS H A 30 CYS HBy 1.0 . 3.38 1150 917 A 30 CYS H A 30 CYS HBx 1.0 . 3.38 1151 918 A 30 CYS HA A 31 PRO HDx 1.0 . 3.05 1152 918 A 30 CYS HA A 31 PRO HDy 1.0 . 3.05 1153 919 A 44 HIS HE1 A 30 CYS HBy 1.0 . 3.35 1154 919 A 44 HIS HE1 A 30 CYS HBx 1.0 . 3.35 1155 920 A 32 LEU H A 31 PRO HBx 1.0 . 3.32 1156 920 A 32 LEU H A 31 PRO HBy 1.0 . 3.32 1157 921 A 32 LEU H A 31 PRO HGy 1.0 . 4.12 1158 921 A 32 LEU H A 31 PRO HGx 1.0 . 4.12 1159 922 A 44 HIS HE1 A 31 PRO HDx 1.0 . 4.44 1160 922 A 44 HIS HE1 A 31 PRO HDy 1.0 . 4.44 1161 923 A 32 LEU H A 32 LEU HBx 1.0 . 3.06 1162 923 A 32 LEU H A 32 LEU HBy 1.0 . 3.06 1163 924 A 32 LEU H A 32 LEU HDy% 1.0 . 3.77 1164 924 A 32 LEU H A 32 LEU HDx% 1.0 . 3.77 1165 925 A 32 LEU HA A 32 LEU HDy% 1.0 . 3.49 1166 925 A 32 LEU HA A 32 LEU HDx% 1.0 . 3.49 1167 926 A 32 LEU HBy A 32 LEU HDy% 1.0 . 2.62 1168 926 A 32 LEU HBx A 32 LEU HDy% 1.0 . 2.62 1169 926 A 32 LEU HDx% A 32 LEU HBx 1.0 . 2.62 1170 926 A 32 LEU HDx% A 32 LEU HBy 1.0 . 2.62 1171 927 A 33 VAL H A 32 LEU HBx 1.0 . 3.25 1172 927 A 33 VAL H A 32 LEU HBy 1.0 . 3.25 1173 928 A 42 HIS H A 32 LEU HBx 1.0 . 4.00 1174 928 A 42 HIS H A 32 LEU HBy 1.0 . 4.00 1175 929 A 42 HIS HA A 32 LEU HBx 1.0 . 2.69 1176 929 A 42 HIS HA A 32 LEU HBy 1.0 . 2.69 1177 930 A 43 MET H A 32 LEU HBx 1.0 . 4.15 1178 930 A 43 MET H A 32 LEU HBy 1.0 . 4.15 1179 931 A 33 VAL H A 32 LEU HDy% 1.0 . 3.75 1180 931 A 33 VAL H A 32 LEU HDx% 1.0 . 3.75 1181 932 A 34 TRP HE1 A 32 LEU HDy% 1.0 . 4.68 1182 932 A 34 TRP HE1 A 32 LEU HDx% 1.0 . 4.68 1183 933 A 34 TRP HZ2 A 32 LEU HDy% 1.0 . 3.48 1184 933 A 34 TRP HZ2 A 32 LEU HDx% 1.0 . 3.48 1185 934 A 34 TRP HH2 A 32 LEU HDy% 1.0 . 3.23 1186 934 A 32 LEU HDx% A 34 TRP HH2 1.0 . 3.23 1187 935 A 41 PHE H A 32 LEU HDy% 1.0 . 4.80 1188 935 A 41 PHE H A 32 LEU HDx% 1.0 . 4.80 1189 936 A 42 HIS H A 32 LEU HDy% 1.0 . 4.48 1190 936 A 42 HIS H A 32 LEU HDx% 1.0 . 4.48 1191 937 A 43 MET H A 32 LEU HDy% 1.0 . 4.62 1192 937 A 43 MET H A 32 LEU HDx% 1.0 . 4.62 1193 938 A 33 VAL H A 33 VAL HGy% 1.0 . 3.31 1194 938 A 33 VAL H A 33 VAL HGx% 1.0 . 3.31 1195 939 A 34 TRP H A 33 VAL HGy% 1.0 . 3.20 1196 939 A 34 TRP H A 33 VAL HGx% 1.0 . 3.20 1197 940 A 34 TRP HA A 33 VAL HGy% 1.0 . 4.25 1198 940 A 34 TRP HA A 33 VAL HGx% 1.0 . 4.25 1199 941 A 34 TRP HBy A 33 VAL HGy% 1.0 . 4.52 1200 941 A 34 TRP HBy A 33 VAL HGx% 1.0 . 4.52 1201 942 A 35 GLY H A 33 VAL HGy% 1.0 . 4.92 1202 942 A 35 GLY H A 33 VAL HGx% 1.0 . 4.92 1203 943 A 43 MET H A 33 VAL HGy% 1.0 . 4.23 1204 943 A 43 MET H A 33 VAL HGx% 1.0 . 4.23 1205 944 A 43 MET HA A 33 VAL HGy% 1.0 . 2.39 1206 944 A 43 MET HA A 33 VAL HGx% 1.0 . 2.39 1207 945 A 43 MET HE% A 33 VAL HGy% 1.0 . 3.36 1208 945 A 43 MET HE% A 33 VAL HGx% 1.0 . 3.36 1209 946 A 68 PHE HD% A 33 VAL HGy% 1.0 . 3.20 1210 946 A 68 PHE HD% A 33 VAL HGx% 1.0 . 3.20 1211 947 A 68 PHE HE% A 33 VAL HGy% 1.0 . 3.19 1212 947 A 68 PHE HE% A 33 VAL HGx% 1.0 . 3.19 1213 948 A 69 LYS H A 33 VAL HGy% 1.0 . 4.75 1214 948 A 69 LYS H A 33 VAL HGx% 1.0 . 4.75 1215 949 A 34 TRP HBx A 69 LYS HGx 1.0 . 4.87 1216 949 A 34 TRP HBx A 69 LYS HGy 1.0 . 4.87 1217 950 A 34 TRP HD1 A 40 CYS HBy 1.0 . 3.17 1218 950 A 34 TRP HD1 A 40 CYS HBx 1.0 . 3.17 1219 951 A 34 TRP HE1 A 40 CYS HBy 1.0 . 3.50 1220 951 A 34 TRP HE1 A 40 CYS HBx 1.0 . 3.50 1221 952 A 35 GLY HAy A 36 GLN HE2y 1.0 . 3.86 1222 952 A 36 GLN HE2x A 35 GLY HAy 1.0 . 3.86 1223 953 A 36 GLN H A 36 GLN HGx 1.0 . 3.41 1224 953 A 36 GLN H A 36 GLN HGy 1.0 . 3.41 1225 954 A 36 GLN H A 36 GLN HE2y 1.0 . 4.68 1226 954 A 36 GLN HE2x A 36 GLN H 1.0 . 4.68 1227 955 A 36 GLN H A 69 LYS HGx 1.0 . 5.34 1228 955 A 36 GLN H A 69 LYS HGy 1.0 . 5.34 1229 956 A 36 GLN HA A 36 GLN HGx 1.0 . 3.61 1230 956 A 36 GLN HGy A 36 GLN HA 1.0 . 3.61 1231 957 A 36 GLN HE2y A 36 GLN HA 1.0 . 4.44 1232 957 A 36 GLN HE2x A 36 GLN HA 1.0 . 4.44 1233 958 A 36 GLN HBx A 36 GLN HE2y 1.0 . 4.64 1234 958 A 36 GLN HE2x A 36 GLN HBx 1.0 . 4.64 1235 959 A 36 GLN HE2y A 36 GLN HGy 1.0 . 3.20 1236 959 A 36 GLN HE2x A 36 GLN HGy 1.0 . 3.20 1237 959 A 36 GLN HE2y A 36 GLN HGx 1.0 . 3.20 1238 959 A 36 GLN HE2x A 36 GLN HGx 1.0 . 3.20 1239 960 A 37 CYS H A 36 GLN HGx 1.0 . 3.84 1240 960 A 37 CYS H A 36 GLN HGy 1.0 . 3.84 1241 961 A 36 GLN HGx A 37 CYS HBy 1.0 . 4.59 1242 961 A 36 GLN HGy A 37 CYS HBy 1.0 . 4.59 1243 961 A 37 CYS HBx A 36 GLN HGx 1.0 . 4.59 1244 961 A 36 GLN HGy A 37 CYS HBx 1.0 . 4.59 1245 962 A 67 LYS H A 36 GLN HGx 1.0 . 4.59 1246 962 A 67 LYS H A 36 GLN HGy 1.0 . 4.59 1247 963 A 36 GLN HGx A 67 LYS HBx 1.0 . 4.14 1248 963 A 36 GLN HGy A 67 LYS HBx 1.0 . 4.14 1249 963 A 67 LYS HBy A 36 GLN HGx 1.0 . 4.14 1250 963 A 36 GLN HGy A 67 LYS HBy 1.0 . 4.14 1251 964 A 37 CYS H A 36 GLN HE2y 1.0 . 4.88 1252 964 A 36 GLN HE2x A 37 CYS H 1.0 . 4.88 1253 965 A 36 GLN HE2y A 67 LYS HBy 1.0 . 3.88 1254 965 A 36 GLN HE2x A 67 LYS HBx 1.0 . 3.88 1255 965 A 36 GLN HE2x A 67 LYS HBy 1.0 . 3.88 1256 965 A 36 GLN HE2y A 67 LYS HBx 1.0 . 3.88 1257 966 A 68 PHE H A 36 GLN HE2y 1.0 . 5.34 1258 966 A 36 GLN HE2x A 68 PHE H 1.0 . 5.34 1259 967 A 37 CYS H A 37 CYS HBy 1.0 . 3.09 1260 967 A 37 CYS H A 37 CYS HBx 1.0 . 3.09 1261 968 A 38 SER H A 37 CYS HBy 1.0 . 3.66 1262 968 A 38 SER H A 37 CYS HBx 1.0 . 3.66 1263 969 A 39 HIS H A 37 CYS HBy 1.0 . 4.75 1264 969 A 39 HIS H A 37 CYS HBx 1.0 . 4.75 1265 970 A 39 HIS H A 39 HIS HBx 1.0 . 2.84 1266 970 A 39 HIS H A 39 HIS HBy 1.0 . 2.84 1267 971 A 39 HIS HE1 A 39 HIS HBx 1.0 . 4.46 1268 971 A 39 HIS HE1 A 39 HIS HBy 1.0 . 4.46 1269 972 A 40 CYS H A 40 CYS HBy 1.0 . 3.50 1270 972 A 40 CYS H A 40 CYS HBx 1.0 . 3.50 1271 973 A 41 PHE H A 40 CYS HBy 1.0 . 3.95 1272 973 A 41 PHE H A 40 CYS HBx 1.0 . 3.95 1273 974 A 41 PHE HE% A 60 PRO HBx 1.0 . 4.28 1274 974 A 41 PHE HE% A 60 PRO HBy 1.0 . 4.28 1275 975 A 41 PHE HZ A 61 MET HGy 1.0 . 3.88 1276 975 A 41 PHE HZ A 61 MET HGx 1.0 . 3.88 1277 976 A 49 TRP HE1 A 60 PRO HBx 1.0 . 4.83 1278 976 A 49 TRP HE1 A 60 PRO HBy 1.0 . 4.83 1279 977 A 49 TRP HZ2 A 60 PRO HBx 1.0 . 5.34 1280 977 A 49 TRP HZ2 A 60 PRO HBy 1.0 . 5.34 1281 978 A 50 LEU HDx% A 57 GLN HBx 1.0 . 2.91 1282 978 A 50 LEU HDx% A 57 GLN HBy 1.0 . 2.91 1283 979 A 50 LEU HDx% A 57 GLN HGx 1.0 . 4.21 1284 979 A 50 LEU HDx% A 57 GLN HGy 1.0 . 4.21 1285 980 A 53 GLN HE2y A 52 ALA HB% 1.0 . 3.93 1286 980 A 52 ALA HB% A 53 GLN HE2x 1.0 . 3.93 1287 981 A 53 GLN H A 53 GLN HGx 1.0 . 3.57 1288 981 A 53 GLN H A 53 GLN HGy 1.0 . 3.57 1289 982 A 53 GLN HE2y A 53 GLN H 1.0 . 4.84 1290 982 A 53 GLN H A 53 GLN HE2x 1.0 . 4.84 1291 983 A 53 GLN HA A 53 GLN HGx 1.0 . 3.52 1292 983 A 53 GLN HA A 53 GLN HGy 1.0 . 3.52 1293 984 A 53 GLN HA A 54 GLN HE2y 1.0 . 5.34 1294 984 A 53 GLN HA A 54 GLN HE2x 1.0 . 5.34 1295 985 A 53 GLN HBy A 53 GLN HE2x 1.0 . 4.39 1296 985 A 53 GLN HBy A 53 GLN HE2y 1.0 . 4.39 1297 985 A 53 GLN HE2y A 53 GLN HBx 1.0 . 4.39 1298 985 A 53 GLN HE2x A 53 GLN HBx 1.0 . 4.39 1299 986 A 53 GLN HBy A 54 GLN HE2y 1.0 . 4.34 1300 986 A 53 GLN HBy A 54 GLN HE2x 1.0 . 4.34 1301 986 A 54 GLN HE2x A 53 GLN HBx 1.0 . 4.34 1302 986 A 54 GLN HE2y A 53 GLN HBx 1.0 . 4.34 1303 987 A 53 GLN HE2x A 53 GLN HGx 1.0 . 3.18 1304 987 A 53 GLN HE2x A 53 GLN HGy 1.0 . 3.18 1305 987 A 53 GLN HE2y A 53 GLN HGx 1.0 . 3.18 1306 987 A 53 GLN HE2y A 53 GLN HGy 1.0 . 3.18 1307 988 A 54 GLN H A 54 GLN HBx 1.0 . 3.63 1308 988 A 54 GLN H A 54 GLN HBy 1.0 . 3.63 1309 989 A 54 GLN H A 54 GLN HE2y 1.0 . 4.81 1310 989 A 54 GLN H A 54 GLN HE2x 1.0 . 4.81 1311 990 A 54 GLN HE2y A 54 GLN HA 1.0 . 4.21 1312 990 A 54 GLN HE2x A 54 GLN HA 1.0 . 4.21 1313 991 A 54 GLN HE2x A 54 GLN HBx 1.0 . 4.15 1314 991 A 54 GLN HE2y A 54 GLN HBx 1.0 . 4.15 1315 991 A 54 GLN HE2y A 54 GLN HBy 1.0 . 4.15 1316 991 A 54 GLN HE2x A 54 GLN HBy 1.0 . 4.15 1317 992 A 55 VAL H A 54 GLN HBx 1.0 . 4.17 1318 992 A 55 VAL H A 54 GLN HBy 1.0 . 4.17 1319 993 A 56 GLN HE2y A 56 GLN HA 1.0 . 4.55 1320 993 A 56 GLN HA A 56 GLN HE2x 1.0 . 4.55 1321 994 A 56 GLN HE2x A 56 GLN HBx 1.0 . 4.23 1322 994 A 56 GLN HE2y A 56 GLN HBx 1.0 . 4.23 1323 994 A 56 GLN HBy A 56 GLN HE2x 1.0 . 4.23 1324 994 A 56 GLN HBy A 56 GLN HE2y 1.0 . 4.23 1325 995 A 57 GLN H A 57 GLN HBx 1.0 . 3.21 1326 995 A 57 GLN H A 57 GLN HBy 1.0 . 3.21 1327 996 A 57 GLN H A 57 GLN HGx 1.0 . 3.35 1328 996 A 57 GLN H A 57 GLN HGy 1.0 . 3.35 1329 997 A 57 GLN HA A 57 GLN HGx 1.0 . 3.53 1330 997 A 57 GLN HA A 57 GLN HGy 1.0 . 3.53 1331 998 A 57 GLN HE2y A 57 GLN HBx 1.0 . 4.54 1332 998 A 57 GLN HE2y A 57 GLN HBy 1.0 . 4.54 1333 999 A 57 GLN HE2x A 57 GLN HBx 1.0 . 4.63 1334 999 A 57 GLN HE2x A 57 GLN HBy 1.0 . 4.63 1335 1000 A 58 HIS H A 57 GLN HBx 1.0 . 4.26 1336 1000 A 58 HIS H A 57 GLN HBy 1.0 . 4.26 1337 1001 A 57 GLN HE2x A 65 GLU HBx 1.0 . 5.34 1338 1001 A 57 GLN HE2x A 65 GLU HBy 1.0 . 5.34 1339 1002 A 58 HIS HA A 65 GLU HBx 1.0 . 5.20 1340 1002 A 58 HIS HA A 65 GLU HBy 1.0 . 5.20 1341 1003 A 61 MET H A 60 PRO HBx 1.0 . 4.12 1342 1003 A 61 MET H A 60 PRO HBy 1.0 . 4.12 1343 1004 A 61 MET H A 61 MET HBx 1.0 . 3.29 1344 1004 A 61 MET H A 61 MET HBy 1.0 . 3.29 1345 1005 A 61 MET HA A 61 MET HGy 1.0 . 3.52 1346 1005 A 61 MET HA A 61 MET HGx 1.0 . 3.52 1347 1006 A 61 MET HE% A 61 MET HBx 1.0 . 2.69 1348 1006 A 61 MET HE% A 61 MET HBy 1.0 . 2.69 1349 1007 A 62 CYS H A 61 MET HBx 1.0 . 3.22 1350 1007 A 62 CYS H A 61 MET HBy 1.0 . 3.22 1351 1008 A 62 CYS H A 61 MET HGy 1.0 . 3.84 1352 1008 A 62 CYS H A 61 MET HGx 1.0 . 3.84 1353 1009 A 62 CYS H A 62 CYS HBy 1.0 . 3.21 1354 1009 A 62 CYS H A 62 CYS HBx 1.0 . 3.21 1355 1010 A 63 ARG H A 62 CYS HBy 1.0 . 3.16 1356 1010 A 63 ARG H A 62 CYS HBx 1.0 . 3.16 1357 1011 A 64 GLN H A 62 CYS HBy 1.0 . 2.65 1358 1011 A 64 GLN H A 62 CYS HBx 1.0 . 2.65 1359 1012 A 63 ARG H A 63 ARG HBy 1.0 . 3.61 1360 1012 A 63 ARG H A 63 ARG HBx 1.0 . 3.61 1361 1013 A 63 ARG HBx A 63 ARG HDx 1.0 . 3.37 1362 1013 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.37 1363 1013 A 63 ARG HDy A 63 ARG HBy 1.0 . 3.37 1364 1013 A 63 ARG HDy A 63 ARG HBx 1.0 . 3.37 1365 1014 A 64 GLN HE2x A 63 ARG HBy 1.0 . 5.18 1366 1014 A 64 GLN HE2y A 63 ARG HBy 1.0 . 5.18 1367 1014 A 64 GLN HE2y A 63 ARG HBx 1.0 . 5.18 1368 1014 A 64 GLN HE2x A 63 ARG HBx 1.0 . 5.18 1369 1015 A 64 GLN H A 64 GLN HGx 1.0 . 3.33 1370 1015 A 64 GLN H A 64 GLN HGy 1.0 . 3.33 1371 1016 A 64 GLN H A 64 GLN HE2y 1.0 . 5.28 1372 1016 A 64 GLN HE2x A 64 GLN H 1.0 . 5.28 1373 1017 A 64 GLN HA A 64 GLN HGx 1.0 . 3.67 1374 1017 A 64 GLN HA A 64 GLN HGy 1.0 . 3.67 1375 1018 A 64 GLN HA A 64 GLN HE2y 1.0 . 4.58 1376 1018 A 64 GLN HA A 64 GLN HE2x 1.0 . 4.58 1377 1019 A 64 GLN HBx A 64 GLN HE2y 1.0 . 4.64 1378 1019 A 64 GLN HBx A 64 GLN HE2x 1.0 . 4.64 1379 1020 A 64 GLN HE2x A 64 GLN HGx 1.0 . 3.17 1380 1020 A 64 GLN HE2x A 64 GLN HGy 1.0 . 3.17 1381 1020 A 64 GLN HE2y A 64 GLN HGx 1.0 . 3.17 1382 1020 A 64 GLN HE2y A 64 GLN HGy 1.0 . 3.17 1383 1021 A 65 GLU H A 64 GLN HGx 1.0 . 4.76 1384 1021 A 65 GLU H A 64 GLN HGy 1.0 . 4.76 1385 1022 A 65 GLU H A 65 GLU HBx 1.0 . 2.82 1386 1022 A 65 GLU H A 65 GLU HBy 1.0 . 2.82 1387 1023 A 66 TRP H A 65 GLU HBx 1.0 . 3.83 1388 1023 A 66 TRP H A 65 GLU HBy 1.0 . 3.83 1389 1024 A 67 LYS H A 67 LYS HBx 1.0 . 3.39 1390 1024 A 67 LYS H A 67 LYS HBy 1.0 . 3.39 1391 1025 A 67 LYS HBy A 67 LYS HEx 1.0 . 3.05 1392 1025 A 67 LYS HBx A 67 LYS HEx 1.0 . 3.05 1393 1025 A 67 LYS HEy A 67 LYS HBx 1.0 . 3.05 1394 1025 A 67 LYS HEy A 67 LYS HBy 1.0 . 3.05 1395 1026 A 68 PHE H A 67 LYS HBx 1.0 . 4.00 1396 1026 A 68 PHE H A 67 LYS HBy 1.0 . 4.00 1397 1027 A 68 PHE H A 68 PHE HBx 1.0 . 2.86 1398 1027 A 68 PHE H A 68 PHE HBy 1.0 . 2.86 1399 1028 A 69 LYS H A 68 PHE HBx 1.0 . 4.06 1400 1028 A 69 LYS H A 68 PHE HBy 1.0 . 4.06 1401 1029 A 69 LYS H A 69 LYS HGx 1.0 . 4.79 1402 1029 A 69 LYS H A 69 LYS HGy 1.0 . 4.79 1403 1030 A 69 LYS HA A 69 LYS HGx 1.0 . 3.15 1404 1030 A 69 LYS HA A 69 LYS HGy 1.0 . 3.15 1405 1031 A 69 LYS HEy A 69 LYS HGx 1.0 . 2.96 1406 1031 A 69 LYS HEx A 69 LYS HGx 1.0 . 2.96 1407 1031 A 69 LYS HGy A 69 LYS HEx 1.0 . 2.96 1408 1031 A 69 LYS HEy A 69 LYS HGy 1.0 . 2.96 1409 1032 A 70 GLU H A 69 LYS HGx 1.0 . 3.13 1410 1032 A 70 GLU H A 69 LYS HGy 1.0 . 3.13 1411 1033 A 70 GLU H A 70 GLU HBx 1.0 . 3.17 1412 1033 A 70 GLU H A 70 GLU HBy 1.0 . 3.17 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . 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 7 GLU C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -200.0 -80.0 PHI 2 2 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 CYS N 1.0 40.0 220.0 PSI 3 3 A 10 GLY C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -120.0 -20.0 PHI 4 4 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 -100.0 0.0 PSI 5 5 A 27 GLY C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -120.0 -20.0 PHI 6 6 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 ASP N 1.0 -100.0 0.0 PSI 7 7 A 32 LEU C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -200.0 -80.0 PHI 8 8 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 TRP N 1.0 40.0 220.0 PSI 9 9 A 35 GLY C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -120.0 -20.0 PHI 10 10 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 CYS N 1.0 -100.0 0.0 PSI 11 11 A 37 CYS C A 38 SER N A 38 SER CA A 38 SER C 1.0 -120.0 -20.0 PHI 12 12 A 38 SER N A 38 SER CA A 38 SER C A 39 HIS N 1.0 -100.0 0.0 PSI 13 13 A 40 CYS C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -200.0 -80.0 PHI 14 14 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 HIS N 1.0 40.0 220.0 PSI 15 15 A 42 HIS C A 43 MET N A 43 MET CA A 43 MET C 1.0 -120.0 -20.0 PHI 16 16 A 43 MET N A 43 MET CA A 43 MET C A 44 HIS N 1.0 -100.0 0.0 PSI 17 17 A 46 ILE C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -120.0 -20.0 PHI 18 18 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 LYS N 1.0 -100.0 0.0 PSI 19 19 A 47 LEU C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -120.0 -20.0 PHI 20 20 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 TRP N 1.0 -100.0 0.0 PSI 21 21 A 48 LYS C A 49 TRP N A 49 TRP CA A 49 TRP C 1.0 -120.0 -20.0 PHI 22 22 A 49 TRP N A 49 TRP CA A 49 TRP C A 50 LEU N 1.0 -100.0 0.0 PSI 23 23 A 49 TRP C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -120.0 -20.0 PHI 24 24 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 HIS N 1.0 -100.0 0.0 PSI 25 25 A 62 CYS C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -120.0 80.0 PHI 26 26 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 GLN N 1.0 -100.0 60.0 PSI 27 27 A 66 TRP C A 67 LYS N A 67 LYS CA A 67 LYS C 1.0 -200.0 -80.0 PHI 28 28 A 67 LYS N A 67 LYS CA A 67 LYS C A 68 PHE N 1.0 40.0 220.0 PSI 29 29 A 67 LYS C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -120.0 80.0 PHI 30 30 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 LYS N 1.0 -100.0 60.0 PSI 31 31 A 69 LYS C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -120.0 80.0 PHI stop_ save_