data_nef_c15338_2jrp 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 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 22 GLU OE1 2 1 ZN ZN 1 22 GLU OE2 2 1 ZN ZN 1 23 THR O 2 1 ZN ZN 1 23 THR OG1 2 1 ZN ZN 1 58 HIS ND1 2 2 ZN ZN 1 59 GLY O 2 2 ZN ZN 1 8 CYS SG 2 1 ZN ZN 1 54 CYS SG 2 2 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 MET start . . 2 A 2 GLU middle . . 3 A 3 ILE middle . . 4 A 4 THR middle . . 5 A 5 CYS middle . . 6 A 6 PRO middle . false 7 A 7 VAL middle . . 8 A 8 CYS middle -HG . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 ARG middle . . 15 A 15 ASN middle . . 16 A 16 GLY middle . false 17 A 17 ASP middle . . 18 A 18 THR middle . . 19 A 19 ALA middle . . 20 A 20 HIS middle . . 21 A 21 CYS middle . . 22 A 22 GLU middle . . 23 A 23 THR middle . . 24 A 24 CYS middle . . 25 A 25 ALA middle . . 26 A 26 LYS middle . . 27 A 27 ASP middle . . 28 A 28 PHE middle . . 29 A 29 SER middle . . 30 A 30 LEU middle . . 31 A 31 GLN middle . . 32 A 32 ALA middle . . 33 A 33 LEU middle . . 34 A 34 CYS middle . . 35 A 35 PRO middle . false 36 A 36 ASP middle . . 37 A 37 CYS middle . . 38 A 38 ARG middle . . 39 A 39 GLN middle . . 40 A 40 PRO middle . false 41 A 41 LEU middle . . 42 A 42 GLN middle . . 43 A 43 VAL middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 ALA middle . . 47 A 47 CYS middle . . 48 A 48 GLY middle . false 49 A 49 ALA middle . . 50 A 50 VAL middle . . 51 A 51 ASP middle . . 52 A 52 TYR middle . . 53 A 53 PHE middle . . 54 A 54 CYS middle -HG . 55 A 55 GLN middle . . 56 A 56 ASN middle . . 57 A 57 GLY middle . false 58 A 58 HIS middle -HD1 . 59 A 59 GLY middle . false 60 A 60 LEU middle . . 61 A 61 ILE middle . . 62 A 62 SER middle . . 63 A 63 LYS middle . . 64 A 64 LYS middle . . 65 A 65 ARG middle . . 66 A 66 VAL middle . . 67 A 67 ASN middle . . 68 A 68 PHE middle . . 69 A 69 VAL middle . . 70 A 70 ILE middle . . 71 A 71 SER middle . . 72 A 72 ASP middle . . 73 A 73 GLN middle . . 74 A 74 LEU middle . . 75 A 75 GLU middle . . 76 A 76 HIS middle . . 77 A 77 HIS middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 HIS middle . . 81 A 81 HIS end . . 82 B 1 ZN . . . 83 B 2 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 MET HA H 1 4.17 0.02 A 1 MET HBx H 1 2.21 0.02 A 1 MET HBy H 1 2.21 0.02 A 1 MET C C 13 171.9 0.2 A 1 MET CA C 13 55.1 0.2 A 1 MET CB C 13 32.9 0.2 A 2 GLU H H 1 8.85 0.02 A 2 GLU HA H 1 4.45 0.02 A 2 GLU HBx H 1 1.92 0.02 A 2 GLU HBy H 1 2.02 0.02 A 2 GLU HGx H 1 2.24 0.02 A 2 GLU HGy H 1 2.31 0.02 A 2 GLU C C 13 175.4 0.2 A 2 GLU CA C 13 55.9 0.2 A 2 GLU CB C 13 30.3 0.2 A 2 GLU CG C 13 35.4 0.2 A 2 GLU N N 15 123.6 0.2 A 3 ILE H H 1 8.59 0.02 A 3 ILE HA H 1 4.31 0.02 A 3 ILE HB H 1 1.61 0.02 A 3 ILE HD1% H 1 0.63 0.02 A 3 ILE HG1x H 1 1.04 0.02 A 3 ILE HG1y H 1 1.54 0.02 A 3 ILE HG2% H 1 0.78 0.02 A 3 ILE C C 13 175.1 0.2 A 3 ILE CA C 13 60.7 0.2 A 3 ILE CB C 13 39.5 0.2 A 3 ILE CD1 C 13 14.3 0.2 A 3 ILE CG1 C 13 26.6 0.2 A 3 ILE CG2 C 13 18.4 0.2 A 3 ILE N N 15 122.1 0.2 A 4 THR H H 1 8.13 0.02 A 4 THR HA H 1 4.54 0.02 A 4 THR HB H 1 3.62 0.02 A 4 THR HG2% H 1 0.92 0.02 A 4 THR C C 13 173.0 0.2 A 4 THR CA C 13 59.7 0.2 A 4 THR CB C 13 71.4 0.2 A 4 THR CG2 C 13 21.6 0.2 A 4 THR N N 15 116.8 0.2 A 5 CYS H H 1 8.70 0.02 A 5 CYS HA H 1 3.96 0.02 A 5 CYS HBx H 1 2.79 0.02 A 5 CYS HBy H 1 3.13 0.02 A 5 CYS CA C 13 56.8 0.2 A 5 CYS CB C 13 32.0 0.2 A 5 CYS N N 15 125.6 0.2 A 6 PRO HA H 1 4.26 0.02 A 6 PRO HBx H 1 1.93 0.02 A 6 PRO HBy H 1 2.19 0.02 A 6 PRO HDx H 1 3.19 0.02 A 6 PRO HDy H 1 3.54 0.02 A 6 PRO HGx H 1 1.75 0.02 A 6 PRO HGy H 1 1.75 0.02 A 6 PRO C C 13 176.0 0.2 A 6 PRO CA C 13 63.9 0.2 A 6 PRO CB C 13 32.1 0.2 A 6 PRO CD C 13 50.5 0.2 A 6 PRO CG C 13 27.2 0.2 A 7 VAL H H 1 9.21 0.02 A 7 VAL HA H 1 3.82 0.02 A 7 VAL HB H 1 2.41 0.02 A 7 VAL HGx% H 1 0.78 0.02 A 7 VAL HGy% H 1 0.93 0.02 A 7 VAL CA C 13 64.9 0.2 A 7 VAL CB C 13 32.2 0.2 A 7 VAL CGx C 13 21.1 0.02 A 7 VAL CGy C 13 21.2 0.02 A 7 VAL N N 15 122.5 0.2 A 8 CYS HA H 1 4.56 0.02 A 8 CYS HBx H 1 2.44 0.02 A 8 CYS HBy H 1 3.00 0.02 A 8 CYS C C 13 176.8 0.2 A 8 CYS CA C 13 58.9 0.2 A 8 CYS CB C 13 32.0 0.2 A 9 HIS H H 1 7.55 0.02 A 9 HIS HA H 1 4.47 0.02 A 9 HIS HBx H 1 3.36 0.02 A 9 HIS HBy H 1 3.47 0.02 A 9 HIS HD2 H 1 7.07 0.02 A 9 HIS CA C 13 56.9 0.2 A 9 HIS CB C 13 25.9 0.2 A 9 HIS CD2 C 13 119.5 0.2 A 9 HIS N N 15 115.0 0.2 A 10 HIS HA H 1 4.79 0.02 A 10 HIS HBx H 1 3.32 0.02 A 10 HIS HBy H 1 3.56 0.02 A 10 HIS HD2 H 1 7.47 0.02 A 10 HIS HE1 H 1 8.69 0.02 A 10 HIS C C 13 174.7 0.2 A 10 HIS CA C 13 55.7 0.2 A 10 HIS CB C 13 29.8 0.2 A 10 HIS CD2 C 13 119.9 0.2 A 10 HIS CE1 C 13 135.3 0.2 A 11 ALA H H 1 8.79 0.02 A 11 ALA HA H 1 4.31 0.02 A 11 ALA HB% H 1 1.41 0.02 A 11 ALA C C 13 177.8 0.2 A 11 ALA CA C 13 53.4 0.2 A 11 ALA CB C 13 18.6 0.2 A 11 ALA N N 15 124.5 0.2 A 12 LEU H H 1 8.48 0.02 A 12 LEU HA H 1 4.64 0.02 A 12 LEU HBx H 1 1.17 0.02 A 12 LEU HBy H 1 1.45 0.02 A 12 LEU HDx% H 1 0.40 0.02 A 12 LEU HDy% H 1 0.81 0.02 A 12 LEU HG H 1 1.51 0.02 A 12 LEU C C 13 176.9 0.2 A 12 LEU CA C 13 53.5 0.2 A 12 LEU CB C 13 44.1 0.2 A 12 LEU CDy C 13 26.4 0.02 A 12 LEU CDx C 13 24.3 0.02 A 12 LEU CG C 13 26.7 0.2 A 12 LEU N N 15 121.2 0.2 A 13 GLU H H 1 8.60 0.02 A 13 GLU HA H 1 4.59 0.02 A 13 GLU HBx H 1 2.12 0.02 A 13 GLU HBy H 1 2.12 0.02 A 13 GLU HGx H 1 2.37 0.02 A 13 GLU HGy H 1 2.47 0.02 A 13 GLU C C 13 175.7 0.2 A 13 GLU CA C 13 54.7 0.2 A 13 GLU CB C 13 30.2 0.2 A 13 GLU CG C 13 34.4 0.2 A 13 GLU N N 15 120.3 0.2 A 14 ARG H H 1 9.01 0.02 A 14 ARG HA H 1 4.46 0.02 A 14 ARG HBx H 1 1.44 0.02 A 14 ARG HBy H 1 1.79 0.02 A 14 ARG HDx H 1 2.53 0.02 A 14 ARG HDy H 1 2.56 0.02 A 14 ARG HGx H 1 1.30 0.02 A 14 ARG HGy H 1 1.33 0.02 A 14 ARG C C 13 174.9 0.2 A 14 ARG CA C 13 56.4 0.2 A 14 ARG CB C 13 31.8 0.2 A 14 ARG CD C 13 43.0 0.2 A 14 ARG CG C 13 27.6 0.2 A 14 ARG N N 15 126.5 0.2 A 15 ASN H H 1 8.67 0.02 A 15 ASN HA H 1 4.85 0.02 A 15 ASN HBx H 1 2.56 0.02 A 15 ASN HBy H 1 2.66 0.02 A 15 ASN C C 13 174.9 0.2 A 15 ASN CA C 13 52.1 0.2 A 15 ASN CB C 13 39.2 0.2 A 15 ASN N N 15 125.1 0.2 A 16 GLY H H 1 8.88 0.02 A 16 GLY HAx H 1 3.57 0.02 A 16 GLY HAy H 1 4.00 0.02 A 16 GLY C C 13 173.7 0.2 A 16 GLY CA C 13 47.2 0.2 A 16 GLY N N 15 114.4 0.2 A 17 ASP H H 1 8.60 0.02 A 17 ASP HA H 1 4.60 0.02 A 17 ASP HBx H 1 2.93 0.02 A 17 ASP HBy H 1 2.93 0.02 A 17 ASP C C 13 174.8 0.2 A 17 ASP CA C 13 53.8 0.2 A 17 ASP CB C 13 40.2 0.2 A 17 ASP N N 15 126.4 0.2 A 18 THR H H 1 7.71 0.02 A 18 THR HA H 1 5.12 0.02 A 18 THR HB H 1 4.15 0.02 A 18 THR HG2% H 1 1.18 0.02 A 18 THR C C 13 171.9 0.2 A 18 THR CA C 13 60.4 0.2 A 18 THR CB C 13 72.3 0.2 A 18 THR CG2 C 13 21.4 0.2 A 18 THR N N 15 112.3 0.2 A 19 ALA H H 1 9.09 0.02 A 19 ALA HA H 1 5.25 0.02 A 19 ALA HB% H 1 1.21 0.02 A 19 ALA C C 13 175.0 0.2 A 19 ALA CA C 13 50.3 0.2 A 19 ALA CB C 13 23.9 0.2 A 19 ALA N N 15 123.3 0.2 A 20 HIS H H 1 9.13 0.02 A 20 HIS HA H 1 5.55 0.02 A 20 HIS HBx H 1 3.15 0.02 A 20 HIS HBy H 1 3.15 0.02 A 20 HIS HD2 H 1 7.09 0.02 A 20 HIS HE1 H 1 8.48 0.02 A 20 HIS C C 13 173.1 0.2 A 20 HIS CA C 13 54.7 0.2 A 20 HIS CB C 13 31.9 0.2 A 20 HIS CD2 C 13 119.8 0.2 A 20 HIS CE1 C 13 135.8 0.2 A 20 HIS N N 15 120.0 0.2 A 21 CYS H H 1 8.91 0.02 A 21 CYS HA H 1 4.70 0.02 A 21 CYS HBx H 1 2.85 0.02 A 21 CYS HBy H 1 2.85 0.02 A 21 CYS C C 13 176.4 0.2 A 21 CYS CA C 13 57.9 0.2 A 21 CYS CB C 13 31.7 0.2 A 21 CYS N N 15 129.2 0.2 A 22 GLU H H 1 9.03 0.02 A 22 GLU HA H 1 4.13 0.02 A 22 GLU HBx H 1 2.16 0.02 A 22 GLU HBy H 1 2.16 0.02 A 22 GLU HGx H 1 2.47 0.02 A 22 GLU HGy H 1 2.47 0.02 A 22 GLU C C 13 177.4 0.2 A 22 GLU CA C 13 58.2 0.2 A 22 GLU CB C 13 29.5 0.2 A 22 GLU CG C 13 34.6 0.2 A 22 GLU N N 15 128.8 0.2 A 23 THR H H 1 8.36 0.02 A 23 THR HA H 1 3.92 0.02 A 23 THR HB H 1 4.49 0.02 A 23 THR HG2% H 1 1.10 0.02 A 23 THR C C 13 176.5 0.2 A 23 THR CA C 13 66.8 0.2 A 23 THR CB C 13 69.1 0.2 A 23 THR CG2 C 13 21.7 0.2 A 23 THR N N 15 119.8 0.2 A 24 CYS H H 1 9.57 0.02 A 24 CYS HA H 1 3.88 0.02 A 24 CYS HBx H 1 2.62 0.02 A 24 CYS HBy H 1 2.88 0.02 A 24 CYS C C 13 174.9 0.2 A 24 CYS CA C 13 62.0 0.2 A 24 CYS CB C 13 30.3 0.2 A 24 CYS N N 15 123.6 0.2 A 25 ALA H H 1 7.72 0.02 A 25 ALA HA H 1 3.82 0.02 A 25 ALA HB% H 1 1.38 0.02 A 25 ALA C C 13 175.4 0.2 A 25 ALA CA C 13 52.5 0.2 A 25 ALA CB C 13 16.0 0.2 A 25 ALA N N 15 121.4 0.2 A 26 LYS H H 1 6.91 0.02 A 26 LYS HA H 1 4.45 0.02 A 26 LYS HBx H 1 1.18 0.02 A 26 LYS HBy H 1 1.18 0.02 A 26 LYS HDx H 1 1.48 0.02 A 26 LYS HDy H 1 1.59 0.02 A 26 LYS HEx H 1 2.81 0.02 A 26 LYS HEy H 1 2.81 0.02 A 26 LYS HGx H 1 0.96 0.02 A 26 LYS HGy H 1 1.08 0.02 A 26 LYS CA C 13 54.6 0.2 A 26 LYS CB C 13 37.9 0.2 A 26 LYS CD C 13 28.7 0.2 A 26 LYS CE C 13 41.9 0.2 A 26 LYS CG C 13 24.4 0.2 A 26 LYS N N 15 116.1 0.2 A 27 ASP HA H 1 5.61 0.02 A 27 ASP HBx H 1 2.39 0.02 A 27 ASP HBy H 1 2.47 0.02 A 27 ASP C C 13 174.4 0.2 A 27 ASP CA C 13 53.0 0.2 A 27 ASP CB C 13 44.2 0.2 A 28 PHE H H 1 9.20 0.02 A 28 PHE HA H 1 4.89 0.02 A 28 PHE HBx H 1 2.47 0.02 A 28 PHE HBy H 1 3.18 0.02 A 28 PHE HDx H 1 7.07 0.02 A 28 PHE HDy H 1 7.07 0.02 A 28 PHE HEx H 1 7.07 0.02 A 28 PHE HEy H 1 7.07 0.02 A 28 PHE HZ H 1 7.29 0.02 A 28 PHE C C 13 175.5 0.2 A 28 PHE CA C 13 56.8 0.2 A 28 PHE CB C 13 42.9 0.2 A 28 PHE CDx C 13 131.9 0.02 A 28 PHE CDy C 13 131.9 0.02 A 28 PHE CEx C 13 131.9 0.02 A 28 PHE CEy C 13 131.9 0.02 A 28 PHE CZ C 13 131.3 0.2 A 28 PHE N N 15 118.1 0.2 A 29 SER H H 1 9.07 0.02 A 29 SER HA H 1 4.75 0.02 A 29 SER HBx H 1 3.93 0.02 A 29 SER HBy H 1 3.93 0.02 A 29 SER C C 13 173.4 0.2 A 29 SER CA C 13 58.4 0.2 A 29 SER CB C 13 64.1 0.2 A 29 SER N N 15 118.4 0.2 A 30 LEU H H 1 8.18 0.02 A 30 LEU HA H 1 5.20 0.02 A 30 LEU HBx H 1 1.31 0.02 A 30 LEU HBy H 1 1.50 0.02 A 30 LEU HDx% H 1 0.44 0.02 A 30 LEU HDy% H 1 0.54 0.02 A 30 LEU HG H 1 1.35 0.02 A 30 LEU CA C 13 53.1 0.2 A 30 LEU CB C 13 44.8 0.2 A 30 LEU CDy C 13 25.7 0.02 A 30 LEU CDx C 13 23.7 0.02 A 30 LEU CG C 13 26.8 0.2 A 30 LEU N N 15 122.2 0.2 A 31 GLN HA H 1 4.68 0.02 A 31 GLN HBx H 1 1.83 0.02 A 31 GLN HBy H 1 1.94 0.02 A 31 GLN HGx H 1 2.10 0.02 A 31 GLN HGy H 1 2.23 0.02 A 31 GLN C C 13 173.6 0.2 A 31 GLN CA C 13 54.2 0.2 A 31 GLN CB C 13 31.8 0.2 A 31 GLN CG C 13 34.2 0.2 A 32 ALA H H 1 8.56 0.02 A 32 ALA HA H 1 3.99 0.02 A 32 ALA HB% H 1 0.95 0.02 A 32 ALA C C 13 175.6 0.2 A 32 ALA CA C 13 50.9 0.2 A 32 ALA CB C 13 20.3 0.2 A 32 ALA N N 15 128.1 0.2 A 33 LEU H H 1 8.74 0.02 A 33 LEU HA H 1 4.56 0.02 A 33 LEU HBx H 1 0.81 0.02 A 33 LEU HBy H 1 1.65 0.02 A 33 LEU HDx% H 1 0.70 0.02 A 33 LEU HDy% H 1 0.53 0.02 A 33 LEU HG H 1 1.45 0.02 A 33 LEU C C 13 175.4 0.2 A 33 LEU CA C 13 52.7 0.2 A 33 LEU CB C 13 44.2 0.2 A 33 LEU CDy C 13 25.7 0.02 A 33 LEU CDx C 13 21.4 0.02 A 33 LEU CG C 13 25.9 0.2 A 33 LEU N N 15 124.5 0.2 A 34 CYS H H 1 8.26 0.02 A 34 CYS HA H 1 4.27 0.02 A 34 CYS HBx H 1 2.81 0.02 A 34 CYS HBy H 1 3.23 0.02 A 34 CYS CA C 13 56.9 0.2 A 34 CYS CB C 13 31.4 0.2 A 34 CYS N N 15 123.6 0.2 A 35 PRO HA H 1 4.29 0.02 A 35 PRO HBx H 1 1.87 0.02 A 35 PRO HBy H 1 2.33 0.02 A 35 PRO HDx H 1 3.37 0.02 A 35 PRO HDy H 1 4.37 0.02 A 35 PRO HGx H 1 1.74 0.02 A 35 PRO HGy H 1 1.81 0.02 A 35 PRO C C 13 176.1 0.2 A 35 PRO CA C 13 63.7 0.2 A 35 PRO CB C 13 31.6 0.2 A 35 PRO CD C 13 51.3 0.2 A 35 PRO CG C 13 26.6 0.2 A 36 ASP H H 1 8.98 0.02 A 36 ASP HA H 1 4.60 0.02 A 36 ASP HBx H 1 1.15 0.02 A 36 ASP HBy H 1 1.74 0.02 A 36 ASP C C 13 176.5 0.2 A 36 ASP CA C 13 56.4 0.2 A 36 ASP CB C 13 40.1 0.2 A 36 ASP N N 15 122.2 0.2 A 37 CYS H H 1 7.84 0.02 A 37 CYS HA H 1 5.00 0.02 A 37 CYS HBx H 1 2.99 0.02 A 37 CYS HBy H 1 3.32 0.02 A 37 CYS C C 13 175.4 0.2 A 37 CYS CA C 13 58.4 0.2 A 37 CYS CB C 13 32.3 0.2 A 37 CYS N N 15 116.0 0.2 A 38 ARG H H 1 7.88 0.02 A 38 ARG HA H 1 4.05 0.02 A 38 ARG HBx H 1 2.03 0.02 A 38 ARG HBy H 1 2.03 0.02 A 38 ARG HDx H 1 3.07 0.02 A 38 ARG HDy H 1 3.07 0.02 A 38 ARG HGx H 1 1.43 0.02 A 38 ARG HGy H 1 1.52 0.02 A 38 ARG C C 13 173.7 0.2 A 38 ARG CA C 13 58.1 0.2 A 38 ARG CB C 13 27.4 0.2 A 38 ARG CD C 13 42.8 0.2 A 38 ARG CG C 13 27.7 0.2 A 38 ARG N N 15 117.7 0.2 A 39 GLN H H 1 7.72 0.02 A 39 GLN HA H 1 4.71 0.02 A 39 GLN HBx H 1 2.14 0.02 A 39 GLN HBy H 1 2.14 0.02 A 39 GLN HGx H 1 2.44 0.02 A 39 GLN HGy H 1 2.44 0.02 A 39 GLN CA C 13 53.9 0.2 A 39 GLN CB C 13 28.1 0.2 A 39 GLN CG C 13 34.0 0.2 A 39 GLN N N 15 117.5 0.2 A 40 PRO HA H 1 4.57 0.02 A 40 PRO HBx H 1 1.93 0.02 A 40 PRO HBy H 1 2.30 0.02 A 40 PRO HDx H 1 3.64 0.02 A 40 PRO HDy H 1 3.85 0.02 A 40 PRO HGx H 1 1.78 0.02 A 40 PRO HGy H 1 2.16 0.02 A 40 PRO C C 13 176.6 0.2 A 40 PRO CA C 13 63.7 0.2 A 40 PRO CB C 13 31.9 0.2 A 40 PRO CD C 13 50.8 0.2 A 40 PRO CG C 13 27.8 0.2 A 41 LEU H H 1 8.17 0.02 A 41 LEU HA H 1 4.46 0.02 A 41 LEU HBx H 1 1.46 0.02 A 41 LEU HBy H 1 1.46 0.02 A 41 LEU HDx% H 1 0.50 0.02 A 41 LEU HDy% H 1 0.80 0.02 A 41 LEU HG H 1 1.59 0.02 A 41 LEU C C 13 177.2 0.2 A 41 LEU CA C 13 54.0 0.2 A 41 LEU CB C 13 43.2 0.2 A 41 LEU CDy C 13 27.9 0.02 A 41 LEU CDx C 13 25.2 0.02 A 41 LEU CG C 13 27.9 0.2 A 41 LEU N N 15 124.1 0.2 A 42 GLN H H 1 9.24 0.02 A 42 GLN HA H 1 4.49 0.02 A 42 GLN HBx H 1 2.13 0.02 A 42 GLN HBy H 1 2.35 0.02 A 42 GLN HGx H 1 2.26 0.02 A 42 GLN HGy H 1 2.47 0.02 A 42 GLN C C 13 175.0 0.2 A 42 GLN CA C 13 55.3 0.2 A 42 GLN CB C 13 29.6 0.2 A 42 GLN CG C 13 33.7 0.2 A 42 GLN N N 15 122.1 0.2 A 43 VAL H H 1 8.60 0.02 A 43 VAL HA H 1 4.26 0.02 A 43 VAL HB H 1 1.95 0.02 A 43 VAL HGx% H 1 0.67 0.02 A 43 VAL HGy% H 1 0.98 0.02 A 43 VAL C C 13 175.5 0.2 A 43 VAL CA C 13 62.1 0.2 A 43 VAL CB C 13 32.0 0.2 A 43 VAL CGy C 13 21.4 0.02 A 43 VAL CGx C 13 20.8 0.02 A 43 VAL N N 15 126.4 0.2 A 44 LEU H H 1 8.94 0.02 A 44 LEU HA H 1 4.51 0.02 A 44 LEU HBx H 1 1.25 0.02 A 44 LEU HBy H 1 1.46 0.02 A 44 LEU HDx% H 1 0.54 0.02 A 44 LEU HDy% H 1 0.58 0.02 A 44 LEU HG H 1 1.32 0.02 A 44 LEU C C 13 175.5 0.2 A 44 LEU CA C 13 53.4 0.2 A 44 LEU CB C 13 42.8 0.2 A 44 LEU CDy C 13 25.3 0.02 A 44 LEU CDx C 13 23.2 0.02 A 44 LEU CG C 13 26.7 0.2 A 44 LEU N N 15 130.2 0.2 A 45 LYS H H 1 8.52 0.02 A 45 LYS HA H 1 4.83 0.02 A 45 LYS HBx H 1 1.66 0.02 A 45 LYS HBy H 1 1.75 0.02 A 45 LYS HDx H 1 1.62 0.02 A 45 LYS HDy H 1 1.62 0.02 A 45 LYS HEx H 1 2.87 0.02 A 45 LYS HEy H 1 2.87 0.02 A 45 LYS HGx H 1 1.25 0.02 A 45 LYS HGy H 1 1.34 0.02 A 45 LYS C C 13 175.6 0.2 A 45 LYS CA C 13 55.7 0.2 A 45 LYS CB C 13 33.5 0.2 A 45 LYS CD C 13 29.2 0.2 A 45 LYS CE C 13 41.9 0.2 A 45 LYS CG C 13 25.2 0.2 A 45 LYS N N 15 123.7 0.2 A 46 ALA H H 1 8.22 0.02 A 46 ALA HA H 1 4.54 0.02 A 46 ALA HB% H 1 1.29 0.02 A 46 ALA C C 13 176.9 0.2 A 46 ALA CA C 13 51.9 0.2 A 46 ALA CB C 13 20.7 0.2 A 46 ALA N N 15 126.4 0.2 A 47 CYS H H 1 9.20 0.02 A 47 CYS HA H 1 4.08 0.02 A 47 CYS HBx H 1 2.88 0.02 A 47 CYS HBy H 1 3.07 0.02 A 47 CYS C C 13 175.1 0.2 A 47 CYS CA C 13 59.7 0.2 A 47 CYS CB C 13 25.8 0.2 A 47 CYS N N 15 120.4 0.2 A 48 GLY H H 1 8.62 0.02 A 48 GLY HAx H 1 3.67 0.02 A 48 GLY HAy H 1 4.07 0.02 A 48 GLY C C 13 173.1 0.2 A 48 GLY CA C 13 45.5 0.2 A 48 GLY N N 15 109.0 0.2 A 49 ALA H H 1 7.82 0.02 A 49 ALA HA H 1 4.62 0.02 A 49 ALA HB% H 1 1.38 0.02 A 49 ALA C C 13 176.0 0.2 A 49 ALA CA C 13 51.0 0.2 A 49 ALA CB C 13 21.3 0.2 A 49 ALA N N 15 124.0 0.2 A 50 VAL H H 1 8.10 0.02 A 50 VAL HA H 1 4.56 0.02 A 50 VAL HB H 1 1.79 0.02 A 50 VAL HGx% H 1 0.55 0.02 A 50 VAL HGy% H 1 0.73 0.02 A 50 VAL C C 13 174.3 0.2 A 50 VAL CA C 13 61.4 0.2 A 50 VAL CB C 13 33.8 0.2 A 50 VAL CGy C 13 21.1 0.02 A 50 VAL CGx C 13 20.8 0.02 A 50 VAL N N 15 119.6 0.2 A 51 ASP H H 1 8.64 0.02 A 51 ASP HA H 1 5.03 0.02 A 51 ASP HBx H 1 2.41 0.02 A 51 ASP HBy H 1 2.53 0.02 A 51 ASP C C 13 173.0 0.2 A 51 ASP CA C 13 52.0 0.2 A 51 ASP CB C 13 43.9 0.2 A 51 ASP N N 15 124.9 0.2 A 52 TYR H H 1 8.95 0.02 A 52 TYR HA H 1 5.15 0.02 A 52 TYR HBx H 1 2.72 0.02 A 52 TYR HBy H 1 2.91 0.02 A 52 TYR HDx H 1 6.92 0.02 A 52 TYR HDy H 1 6.92 0.02 A 52 TYR HEx H 1 6.74 0.02 A 52 TYR HEy H 1 6.74 0.02 A 52 TYR C C 13 174.5 0.2 A 52 TYR CA C 13 57.3 0.2 A 52 TYR CB C 13 41.2 0.2 A 52 TYR CDx C 13 133.1 0.02 A 52 TYR CDy C 13 133.1 0.02 A 52 TYR CEx C 13 117.5 0.02 A 52 TYR CEy C 13 117.5 0.02 A 52 TYR N N 15 118.5 0.2 A 53 PHE H H 1 9.25 0.02 A 53 PHE HA H 1 5.04 0.02 A 53 PHE HBx H 1 2.63 0.02 A 53 PHE HBy H 1 2.93 0.02 A 53 PHE HDx H 1 6.94 0.02 A 53 PHE HDy H 1 6.94 0.02 A 53 PHE HEx H 1 7.28 0.02 A 53 PHE HEy H 1 7.28 0.02 A 53 PHE C C 13 173.2 0.2 A 53 PHE CA C 13 56.4 0.2 A 53 PHE CB C 13 44.3 0.2 A 53 PHE CDx C 13 131.5 0.02 A 53 PHE CDy C 13 131.5 0.02 A 53 PHE CEx C 13 131.5 0.02 A 53 PHE CEy C 13 131.5 0.02 A 53 PHE N N 15 123.1 0.2 A 54 CYS H H 1 9.16 0.02 A 54 CYS HA H 1 4.69 0.02 A 54 CYS HBx H 1 2.74 0.02 A 54 CYS HBy H 1 2.74 0.02 A 54 CYS C C 13 175.7 0.2 A 54 CYS CA C 13 58.2 0.2 A 54 CYS CB C 13 29.6 0.2 A 54 CYS N N 15 130.8 0.2 A 55 GLN H H 1 9.26 0.02 A 55 GLN HA H 1 4.30 0.02 A 55 GLN HBx H 1 2.12 0.02 A 55 GLN HBy H 1 2.33 0.02 A 55 GLN HGx H 1 2.51 0.02 A 55 GLN HGy H 1 2.51 0.02 A 55 GLN C C 13 174.4 0.2 A 55 GLN CA C 13 56.9 0.2 A 55 GLN CB C 13 28.9 0.2 A 55 GLN CG C 13 34.2 0.2 A 55 GLN N N 15 129.0 0.2 A 56 ASN H H 1 9.10 0.02 A 56 ASN HA H 1 4.86 0.02 A 56 ASN HBx H 1 2.54 0.02 A 56 ASN HBy H 1 2.99 0.02 A 56 ASN C C 13 174.1 0.2 A 56 ASN CA C 13 52.1 0.2 A 56 ASN CB C 13 39.5 0.2 A 56 ASN N N 15 122.3 0.2 A 57 GLY H H 1 7.18 0.02 A 57 GLY HAx H 1 3.45 0.02 A 57 GLY HAy H 1 4.00 0.02 A 57 GLY C C 13 175.8 0.2 A 57 GLY CA C 13 45.1 0.2 A 57 GLY N N 15 104.2 0.2 A 58 HIS H H 1 7.38 0.02 A 58 HIS HA H 1 4.62 0.02 A 58 HIS HBx H 1 2.99 0.02 A 58 HIS HBy H 1 3.36 0.02 A 58 HIS C C 13 174.1 0.2 A 58 HIS CA C 13 59.6 0.2 A 58 HIS CB C 13 30.1 0.2 A 58 HIS N N 15 116.0 0.2 A 59 GLY H H 1 7.61 0.02 A 59 GLY HAx H 1 2.93 0.02 A 59 GLY HAy H 1 3.70 0.02 A 59 GLY C C 13 173.1 0.2 A 59 GLY CA C 13 45.5 0.2 A 59 GLY N N 15 108.0 0.2 A 60 LEU H H 1 8.45 0.02 A 60 LEU HA H 1 4.62 0.02 A 60 LEU HBx H 1 1.65 0.02 A 60 LEU HBy H 1 1.65 0.02 A 60 LEU HDx% H 1 0.93 0.02 A 60 LEU HDy% H 1 0.93 0.02 A 60 LEU HG H 1 1.65 0.02 A 60 LEU C C 13 176.8 0.2 A 60 LEU CA C 13 55.7 0.2 A 60 LEU CB C 13 42.2 0.2 A 60 LEU CDx C 13 24.7 0.02 A 60 LEU CDy C 13 24.7 0.02 A 60 LEU CG C 13 27.4 0.2 A 60 LEU N N 15 124.3 0.2 A 61 ILE H H 1 8.74 0.02 A 61 ILE HA H 1 4.20 0.02 A 61 ILE HB H 1 1.80 0.02 A 61 ILE HD1% H 1 0.59 0.02 A 61 ILE HG1x H 1 1.19 0.02 A 61 ILE HG1y H 1 1.81 0.02 A 61 ILE HG2% H 1 0.74 0.02 A 61 ILE C C 13 175.5 0.2 A 61 ILE CA C 13 57.0 0.2 A 61 ILE CB C 13 37.4 0.2 A 61 ILE CD1 C 13 9.3 0.2 A 61 ILE CG1 C 13 26.9 0.2 A 61 ILE CG2 C 13 18.0 0.2 A 61 ILE N N 15 128.5 0.2 A 62 SER H H 1 8.49 0.02 A 62 SER HA H 1 4.38 0.02 A 62 SER HBx H 1 3.79 0.02 A 62 SER HBy H 1 4.08 0.02 A 62 SER C C 13 176.5 0.2 A 62 SER CA C 13 58.3 0.2 A 62 SER CB C 13 63.5 0.2 A 62 SER N N 15 121.7 0.2 A 63 LYS H H 1 9.04 0.02 A 63 LYS HA H 1 3.91 0.02 A 63 LYS HBx H 1 2.05 0.02 A 63 LYS HBy H 1 2.12 0.02 A 63 LYS HDx H 1 1.93 0.02 A 63 LYS HDy H 1 1.93 0.02 A 63 LYS HEx H 1 3.17 0.02 A 63 LYS HEy H 1 3.17 0.02 A 63 LYS HGx H 1 1.71 0.02 A 63 LYS HGy H 1 1.71 0.02 A 63 LYS C C 13 178.2 0.2 A 63 LYS CA C 13 60.3 0.2 A 63 LYS CB C 13 32.0 0.2 A 63 LYS CD C 13 29.3 0.2 A 63 LYS CE C 13 42.1 0.2 A 63 LYS CG C 13 25.3 0.2 A 63 LYS N N 15 126.0 0.2 A 64 LYS H H 1 8.09 0.02 A 64 LYS HA H 1 4.19 0.02 A 64 LYS HBx H 1 1.82 0.02 A 64 LYS HBy H 1 1.82 0.02 A 64 LYS HDx H 1 1.69 0.02 A 64 LYS HDy H 1 1.69 0.02 A 64 LYS HEx H 1 2.99 0.02 A 64 LYS HEy H 1 2.99 0.02 A 64 LYS HGx H 1 1.45 0.02 A 64 LYS HGy H 1 1.45 0.02 A 64 LYS C C 13 177.0 0.2 A 64 LYS CA C 13 58.0 0.2 A 64 LYS CB C 13 32.3 0.2 A 64 LYS CD C 13 29.0 0.2 A 64 LYS CE C 13 41.8 0.2 A 64 LYS CG C 13 25.0 0.2 A 64 LYS N N 15 115.4 0.2 A 65 ARG H H 1 7.96 0.02 A 65 ARG HA H 1 4.28 0.02 A 65 ARG HBx H 1 1.63 0.02 A 65 ARG HBy H 1 1.89 0.02 A 65 ARG HDx H 1 3.15 0.02 A 65 ARG HDy H 1 3.31 0.02 A 65 ARG HGx H 1 1.46 0.02 A 65 ARG HGy H 1 1.46 0.02 A 65 ARG C C 13 176.0 0.2 A 65 ARG CA C 13 55.9 0.2 A 65 ARG CB C 13 32.0 0.2 A 65 ARG CD C 13 43.3 0.2 A 65 ARG CG C 13 28.6 0.2 A 65 ARG N N 15 116.6 0.2 A 66 VAL H H 1 6.81 0.02 A 66 VAL HA H 1 2.80 0.02 A 66 VAL HB H 1 1.35 0.02 A 66 VAL HGx% H 1 -0.60 0.02 A 66 VAL HGy% H 1 0.23 0.02 A 66 VAL C C 13 174.5 0.2 A 66 VAL CA C 13 65.0 0.2 A 66 VAL CB C 13 32.0 0.2 A 66 VAL CGx C 13 20.9 0.02 A 66 VAL CGy C 13 22.6 0.02 A 66 VAL N N 15 119.6 0.2 A 67 ASN H H 1 7.27 0.02 A 67 ASN HA H 1 4.84 0.02 A 67 ASN HBx H 1 2.35 0.02 A 67 ASN HBy H 1 2.56 0.02 A 67 ASN HD2x H 1 6.78 0.02 A 67 ASN HD2y H 1 7.14 0.02 A 67 ASN C C 13 173.2 0.2 A 67 ASN CA C 13 51.2 0.2 A 67 ASN CB C 13 39.1 0.2 A 67 ASN N N 15 123.5 0.2 A 67 ASN ND2 N 15 109.2 0.2 A 68 PHE H H 1 8.18 0.02 A 68 PHE HA H 1 5.17 0.02 A 68 PHE HBx H 1 2.71 0.02 A 68 PHE HBy H 1 2.71 0.02 A 68 PHE HDx H 1 6.95 0.02 A 68 PHE HDy H 1 6.95 0.02 A 68 PHE HEx H 1 7.22 0.02 A 68 PHE HEy H 1 7.22 0.02 A 68 PHE HZ H 1 7.00 0.02 A 68 PHE C C 13 175.3 0.2 A 68 PHE CA C 13 58.0 0.2 A 68 PHE CB C 13 41.1 0.2 A 68 PHE CDx C 13 131.5 0.02 A 68 PHE CDy C 13 131.5 0.02 A 68 PHE CEx C 13 131.5 0.02 A 68 PHE CEy C 13 131.5 0.02 A 68 PHE CZ C 13 129.4 0.2 A 68 PHE N N 15 123.3 0.2 A 69 VAL H H 1 8.66 0.02 A 69 VAL HA H 1 4.52 0.02 A 69 VAL HB H 1 2.07 0.02 A 69 VAL HGx% H 1 0.80 0.02 A 69 VAL HGy% H 1 0.78 0.02 A 69 VAL C C 13 175.1 0.2 A 69 VAL CA C 13 59.2 0.2 A 69 VAL CB C 13 35.1 0.2 A 69 VAL CGy C 13 21.4 0.02 A 69 VAL CGx C 13 19.5 0.02 A 69 VAL N N 15 116.5 0.2 A 70 ILE H H 1 8.48 0.02 A 70 ILE HA H 1 4.35 0.02 A 70 ILE HB H 1 1.68 0.02 A 70 ILE HD1% H 1 0.38 0.02 A 70 ILE HG1x H 1 0.84 0.02 A 70 ILE HG1y H 1 1.35 0.02 A 70 ILE HG2% H 1 0.83 0.02 A 70 ILE C C 13 176.4 0.2 A 70 ILE CA C 13 61.3 0.2 A 70 ILE CB C 13 38.2 0.2 A 70 ILE CD1 C 13 13.0 0.2 A 70 ILE CG1 C 13 27.8 0.2 A 70 ILE CG2 C 13 17.8 0.2 A 70 ILE N N 15 123.1 0.2 A 71 SER H H 1 8.77 0.02 A 71 SER HA H 1 4.55 0.02 A 71 SER HBx H 1 3.73 0.02 A 71 SER HBy H 1 3.73 0.02 A 71 SER C C 13 174.2 0.2 A 71 SER CA C 13 57.7 0.2 A 71 SER CB C 13 64.1 0.2 A 71 SER N N 15 122.2 0.2 A 72 ASP H H 1 8.47 0.02 A 72 ASP HA H 1 4.72 0.02 A 72 ASP HBx H 1 2.73 0.02 A 72 ASP HBy H 1 2.73 0.02 A 72 ASP C C 13 176.1 0.2 A 72 ASP CA C 13 54.2 0.2 A 72 ASP CB C 13 41.2 0.2 A 72 ASP N N 15 122.7 0.2 A 73 GLN H H 1 8.49 0.02 A 73 GLN HA H 1 4.31 0.02 A 73 GLN HBx H 1 1.95 0.02 A 73 GLN HBy H 1 2.07 0.02 A 73 GLN HGx H 1 2.30 0.02 A 73 GLN HGy H 1 2.30 0.02 A 73 GLN C C 13 176.0 0.2 A 73 GLN CA C 13 56.1 0.2 A 73 GLN CB C 13 29.2 0.2 A 73 GLN CG C 13 33.8 0.2 A 73 GLN N N 15 120.3 0.2 A 74 LEU H H 1 8.25 0.02 A 74 LEU HA H 1 4.25 0.02 A 74 LEU HBx H 1 1.45 0.02 A 74 LEU HBy H 1 1.54 0.02 A 74 LEU HDx% H 1 0.85 0.02 A 74 LEU HDy% H 1 0.81 0.02 A 74 LEU HG H 1 1.53 0.02 A 74 LEU C C 13 177.1 0.2 A 74 LEU CA C 13 55.2 0.2 A 74 LEU CB C 13 42.1 0.2 A 74 LEU CDy C 13 24.9 0.02 A 74 LEU CDx C 13 23.3 0.02 A 74 LEU CG C 13 27.0 0.2 A 74 LEU N N 15 123.0 0.2 A 75 GLU H H 1 8.26 0.02 A 75 GLU HA H 1 4.17 0.02 A 75 GLU HBx H 1 1.87 0.02 A 75 GLU HBy H 1 1.87 0.02 A 75 GLU HGx H 1 2.16 0.02 A 75 GLU HGy H 1 2.21 0.02 A 75 GLU C C 13 176.2 0.2 A 75 GLU CA C 13 56.3 0.2 A 75 GLU CB C 13 29.8 0.2 A 75 GLU CG C 13 35.3 0.2 A 75 GLU N N 15 120.7 0.2 A 76 HIS H H 1 8.48 0.02 A 76 HIS HA H 1 4.61 0.02 A 76 HIS HBx H 1 3.11 0.02 A 76 HIS HBy H 1 3.11 0.02 A 76 HIS C C 13 174.2 0.2 A 76 HIS CA C 13 55.1 0.2 A 76 HIS CB C 13 28.7 0.2 A 76 HIS N N 15 119.1 0.2 A 77 HIS H H 1 8.54 0.02 A 77 HIS HA H 1 4.62 0.02 A 77 HIS HBx H 1 3.15 0.02 A 77 HIS HBy H 1 3.15 0.02 A 77 HIS C C 13 174.1 0.2 A 77 HIS CA C 13 55.3 0.2 A 77 HIS CB C 13 28.9 0.2 A 77 HIS N N 15 118.7 0.2 A 78 HIS H H 1 8.63 0.02 A 78 HIS HA H 1 4.66 0.02 A 78 HIS HBx H 1 3.16 0.02 A 78 HIS HBy H 1 3.16 0.02 A 78 HIS C C 13 174.1 0.2 A 78 HIS CA C 13 55.2 0.2 A 78 HIS CB C 13 29.1 0.2 A 78 HIS N N 15 119.5 0.2 A 79 HIS H H 1 8.69 0.02 A 79 HIS HA H 1 4.66 0.02 A 79 HIS HBx H 1 3.15 0.02 A 79 HIS HBy H 1 3.15 0.02 A 79 HIS C C 13 173.9 0.2 A 79 HIS CA C 13 55.2 0.2 A 79 HIS CB C 13 29.1 0.2 A 79 HIS N N 15 120.4 0.2 A 80 HIS H H 1 8.59 0.02 A 80 HIS HA H 1 4.63 0.02 A 80 HIS HBx H 1 3.21 0.02 A 80 HIS HBy H 1 3.21 0.02 A 80 HIS C C 13 173.4 0.2 A 80 HIS CA C 13 55.4 0.2 A 80 HIS CB C 13 29.3 0.2 A 80 HIS N N 15 120.6 0.2 A 81 HIS H H 1 8.41 0.02 A 81 HIS HA H 1 4.43 0.02 A 81 HIS CA C 13 57.0 0.2 A 81 HIS CB C 13 29.4 0.2 A 81 HIS N N 15 125.6 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-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 B 1 ZN ZN A 5 CYS SG 1.0 2.20 2.40 2 2 B 1 ZN ZN A 8 CYS SG 1.0 2.20 2.40 3 3 B 1 ZN ZN A 21 CYS SG 1.0 2.20 2.40 4 4 B 1 ZN ZN A 24 CYS SG 1.0 2.20 2.40 5 5 A 5 CYS SG A 8 CYS SG 1.0 3.60 4.00 6 6 A 5 CYS SG A 21 CYS SG 1.0 3.60 4.00 7 7 A 5 CYS SG A 24 CYS SG 1.0 3.60 4.00 8 8 A 8 CYS SG A 21 CYS SG 1.0 3.60 4.00 9 9 A 8 CYS SG A 24 CYS SG 1.0 3.60 4.00 10 10 A 21 CYS SG A 24 CYS SG 1.0 3.60 4.00 11 11 3 1 ZN ZN A 34 CYS SG 1.0 2.20 2.40 12 12 3 1 ZN ZN A 37 CYS SG 1.0 2.20 2.40 13 13 3 1 ZN ZN A 54 CYS SG 1.0 2.20 2.40 14 14 3 1 ZN ZN A 58 HIS ND1 1.0 2.00 2.20 15 15 A 34 CYS SG A 37 CYS SG 1.0 3.60 4.20 16 16 A 34 CYS SG A 54 CYS SG 1.0 3.60 4.20 17 17 A 34 CYS SG A 58 HIS ND1 1.0 3.10 4.00 18 18 A 37 CYS SG A 54 CYS SG 1.0 3.60 4.20 19 19 A 37 CYS SG A 58 HIS ND1 1.0 3.10 4.00 20 20 A 54 CYS SG A 58 HIS ND1 1.0 3.10 4.00 21 21 B 1 ZN ZN A 22 GLU OE1 1.0 1.99 21.99 22 22 B 1 ZN ZN A 22 GLU OE2 1.0 1.99 21.99 23 23 B 1 ZN ZN A 23 THR O 1.0 1.99 21.99 24 24 3 1 ZN ZN A 36 ASP OD1 1.0 1.99 21.99 25 25 3 1 ZN ZN A 36 ASP OD2 1.0 1.99 21.99 26 26 3 1 ZN ZN A 59 GLY O 1.0 1.99 21.99 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 11 ALA HB% A 2 GLU HBx 1.0 1.8 5.0 2 1 A 2 GLU HBy A 11 ALA HB% 1.0 1.8 5.0 3 2 A 3 ILE H A 2 GLU HBx 1.0 1.8 4.5 4 2 A 2 GLU HBy A 3 ILE H 1.0 1.8 4.5 5 3 A 4 THR HG2% A 2 GLU HBx 1.0 1.8 5.0 6 3 A 2 GLU HBy A 4 THR HG2% 1.0 1.8 5.0 7 4 A 11 ALA HB% A 2 GLU HGx 1.0 1.8 5.0 8 4 A 11 ALA HB% A 2 GLU HGy 1.0 1.8 5.0 9 5 A 3 ILE H A 2 GLU HGx 1.0 1.8 5.0 10 5 A 3 ILE H A 2 GLU HGy 1.0 1.8 5.0 11 6 A 4 THR HG2% A 2 GLU HGx 1.0 1.8 5.0 12 6 A 4 THR HG2% A 2 GLU HGy 1.0 1.8 5.0 13 7 A 3 ILE HA A 4 THR H 1.0 1.8 3.5 14 8 A 3 ILE HB A 12 LEU HBx 1.0 1.8 5.0 15 8 A 3 ILE HB A 12 LEU HBy 1.0 1.8 5.0 16 9 A 3 ILE HB A 12 LEU HDx% 1.0 1.8 5.0 17 10 A 3 ILE HB A 12 LEU HDy% 1.0 1.8 5.0 18 11 A 4 THR H A 3 ILE HB 1.0 1.8 5.0 19 12 A 3 ILE HD1% A 14 ARG HDx 1.0 1.8 5.0 20 12 A 3 ILE HD1% A 14 ARG HDy 1.0 1.8 5.0 21 13 A 3 ILE HD1% A 19 ALA HB% 1.0 1.8 5.0 22 14 A 3 ILE HD1% A 30 LEU HDx% 1.0 1.8 5.0 23 15 A 3 ILE HD1% A 30 LEU HDy% 1.0 1.8 5.0 24 16 A 3 ILE HG1x A 12 LEU HDy% 1.0 1.8 5.0 25 16 A 3 ILE HG1y A 12 LEU HDy% 1.0 1.8 5.0 26 16 A 12 LEU HDx% A 3 ILE HG1x 1.0 1.8 5.0 27 16 A 3 ILE HG1y A 12 LEU HDx% 1.0 1.8 5.0 28 17 A 3 ILE HG2% A 12 LEU HDy% 1.0 1.8 5.0 29 17 A 12 LEU HDx% A 3 ILE HG2% 1.0 1.8 5.0 30 18 A 3 ILE HG2% A 30 LEU HDx% 1.0 1.8 5.0 31 19 A 3 ILE HG2% A 30 LEU HDy% 1.0 1.8 5.0 32 20 A 4 THR H A 3 ILE HG2% 1.0 1.8 5.0 33 21 A 3 ILE H A 4 THR H 1.0 1.8 5.0 34 22 A 4 THR HA A 11 ALA HA 1.0 1.8 5.0 35 23 A 4 THR HA A 12 LEU HDy% 1.0 1.8 5.0 36 23 A 12 LEU HDx% A 4 THR HA 1.0 1.8 5.0 37 24 A 4 THR HA A 12 LEU HG 1.0 1.8 5.0 38 25 A 4 THR HA A 12 LEU H 1.0 1.8 5.0 39 26 A 4 THR HA A 5 CYS H 1.0 1.8 3.5 40 27 A 5 CYS H A 4 THR HB 1.0 1.8 5.0 41 28 A 4 THR HB A 9 HIS HA 1.0 1.8 5.0 42 29 A 4 THR HG2% A 10 HIS HA 1.0 1.8 5.0 43 30 A 4 THR HG2% A 11 ALA HA 1.0 1.8 5.0 44 31 A 11 ALA HB% A 4 THR HG2% 1.0 1.8 5.0 45 32 A 4 THR HG2% A 11 ALA H 1.0 1.8 5.0 46 33 A 4 THR HG2% A 12 LEU H 1.0 1.8 5.0 47 34 A 4 THR HG2% A 5 CYS H 1.0 1.8 5.0 48 35 A 4 THR HG2% A 9 HIS HA 1.0 1.8 5.0 49 36 A 4 THR HG2% A 9 HIS HBx 1.0 1.8 5.0 50 36 A 4 THR HG2% A 9 HIS HBy 1.0 1.8 5.0 51 37 A 4 THR HG2% A 9 HIS HD2 1.0 1.8 5.0 52 38 A 4 THR H A 12 LEU HDy% 1.0 1.8 5.0 53 38 A 4 THR H A 12 LEU HDx% 1.0 1.8 5.0 54 39 A 12 LEU HDx% A 5 CYS HA 1.0 1.8 5.0 55 40 A 5 CYS HA A 12 LEU HDy% 1.0 1.8 5.0 56 41 A 12 LEU HG A 5 CYS HA 1.0 1.8 5.0 57 42 A 5 CYS HA A 6 PRO HDx 1.0 1.8 3.9 58 42 A 5 CYS HA A 6 PRO HDy 1.0 1.8 3.9 59 43 A 5 CYS HA A 70 ILE HD1% 1.0 1.8 5.0 60 44 A 12 LEU HDx% A 5 CYS HBy 1.0 1.8 5.0 61 44 A 12 LEU HDx% A 5 CYS HBx 1.0 1.8 5.0 62 45 A 5 CYS HBx A 12 LEU HDy% 1.0 1.8 5.0 63 45 A 5 CYS HBy A 12 LEU HDy% 1.0 1.8 5.0 64 46 A 28 PHE HE% A 5 CYS HBx 1.0 1.8 5.0 65 46 A 5 CYS HBy A 28 PHE HE% 1.0 1.8 5.0 66 47 A 7 VAL H A 5 CYS HBx 1.0 1.8 5.0 67 47 A 5 CYS HBy A 7 VAL H 1.0 1.8 5.0 68 48 A 9 HIS H A 5 CYS HBx 1.0 1.8 5.0 69 48 A 5 CYS HBy A 9 HIS H 1.0 1.8 5.0 70 49 A 11 ALA HA A 5 CYS H 1.0 1.8 5.0 71 50 A 12 LEU HDx% A 5 CYS H 1.0 1.8 5.0 72 51 A 5 CYS H A 12 LEU HDy% 1.0 1.8 5.0 73 52 A 12 LEU HG A 5 CYS H 1.0 1.8 5.0 74 53 A 6 PRO HDx A 12 LEU HDy% 1.0 1.8 5.0 75 53 A 12 LEU HDx% A 6 PRO HDx 1.0 1.8 5.0 76 53 A 12 LEU HDx% A 6 PRO HDy 1.0 1.8 5.0 77 53 A 6 PRO HDy A 12 LEU HDy% 1.0 1.8 5.0 78 54 A 28 PHE HZ A 6 PRO HDx 1.0 1.8 5.0 79 54 A 6 PRO HDy A 28 PHE HZ 1.0 1.8 5.0 80 55 A 70 ILE HD1% A 6 PRO HDx 1.0 1.8 5.0 81 55 A 6 PRO HDy A 70 ILE HD1% 1.0 1.8 5.0 82 56 A 7 VAL H A 6 PRO HDx 1.0 1.8 5.0 83 56 A 6 PRO HDy A 7 VAL H 1.0 1.8 5.0 84 57 A 28 PHE HZ A 6 PRO HGx 1.0 1.8 5.0 85 57 A 28 PHE HZ A 6 PRO HGy 1.0 1.8 5.0 86 58 A 70 ILE HD1% A 6 PRO HGx 1.0 1.8 5.0 87 58 A 70 ILE HD1% A 6 PRO HGy 1.0 1.8 5.0 88 59 A 7 VAL H A 6 PRO HGx 1.0 1.8 5.0 89 59 A 7 VAL H A 6 PRO HGy 1.0 1.8 5.0 90 60 A 7 VAL HGx% A 24 CYS HBx 1.0 1.8 5.0 91 60 A 7 VAL HGy% A 24 CYS HBx 1.0 1.8 5.0 92 60 A 24 CYS HBy A 7 VAL HGx% 1.0 1.8 5.0 93 60 A 7 VAL HGy% A 24 CYS HBy 1.0 1.8 5.0 94 61 A 28 PHE HZ A 7 VAL HGx% 1.0 1.8 5.0 95 61 A 28 PHE HZ A 7 VAL HGy% 1.0 1.8 5.0 96 62 A 7 VAL H A 9 HIS H 1.0 1.8 5.0 97 63 A 8 CYS HBy A 12 LEU HDy% 1.0 1.8 5.0 98 63 A 8 CYS HBx A 12 LEU HDy% 1.0 1.8 5.0 99 63 A 12 LEU HDx% A 8 CYS HBx 1.0 1.8 5.0 100 63 A 12 LEU HDx% A 8 CYS HBy 1.0 1.8 5.0 101 64 A 23 THR HG2% A 8 CYS HBx 1.0 1.8 5.0 102 64 A 8 CYS HBy A 23 THR HG2% 1.0 1.8 5.0 103 65 A 23 THR H A 8 CYS HBx 1.0 1.8 5.0 104 65 A 8 CYS HBy A 23 THR H 1.0 1.8 5.0 105 66 A 9 HIS H A 8 CYS HBx 1.0 1.8 4.5 106 66 A 9 HIS H A 8 CYS HBy 1.0 1.8 4.5 107 67 A 10 HIS HA A 11 ALA H 1.0 1.8 3.5 108 68 A 11 ALA H A 10 HIS HBx 1.0 1.8 4.5 109 68 A 11 ALA H A 10 HIS HBy 1.0 1.8 4.5 110 69 A 23 THR HG2% A 10 HIS HD2 1.0 1.8 5.0 111 70 A 23 THR HG2% A 10 HIS HE1 1.0 1.8 5.0 112 71 A 11 ALA HA A 12 LEU H 1.0 1.8 3.5 113 72 A 11 ALA HB% A 12 LEU H 1.0 1.8 4.5 114 73 A 12 LEU HA A 13 GLU H 1.0 1.8 3.5 115 74 A 13 GLU H A 12 LEU HBx 1.0 1.8 4.5 116 74 A 12 LEU HBy A 13 GLU H 1.0 1.8 4.5 117 75 A 19 ALA HB% A 12 LEU HBx 1.0 1.8 5.0 118 75 A 12 LEU HBy A 19 ALA HB% 1.0 1.8 5.0 119 76 A 21 CYS HA A 12 LEU HBx 1.0 1.8 5.0 120 76 A 12 LEU HBy A 21 CYS HA 1.0 1.8 5.0 121 77 A 19 ALA HB% A 12 LEU HDx% 1.0 1.8 5.0 122 78 A 12 LEU HDx% A 28 PHE HD% 1.0 1.8 5.0 123 79 A 12 LEU HDx% A 28 PHE HE% 1.0 1.8 5.0 124 80 A 12 LEU HDx% A 28 PHE HZ 1.0 1.8 5.0 125 81 A 19 ALA HB% A 12 LEU HDy% 1.0 1.8 5.0 126 82 A 28 PHE HD% A 12 LEU HDy% 1.0 1.8 5.0 127 83 A 28 PHE HE% A 12 LEU HDy% 1.0 1.8 5.0 128 84 A 13 GLU H A 12 LEU HDy% 1.0 1.8 5.0 129 84 A 12 LEU HDx% A 13 GLU H 1.0 1.8 5.0 130 85 A 21 CYS HA A 12 LEU HDy% 1.0 1.8 5.0 131 85 A 12 LEU HDx% A 21 CYS HA 1.0 1.8 5.0 132 86 A 21 CYS H A 12 LEU HDy% 1.0 1.8 5.0 133 86 A 12 LEU HDx% A 21 CYS H 1.0 1.8 5.0 134 87 A 22 GLU H A 12 LEU HDy% 1.0 1.8 5.0 135 87 A 12 LEU HDx% A 22 GLU H 1.0 1.8 5.0 136 88 A 12 LEU HDx% A 28 PHE HBx 1.0 1.8 5.0 137 88 A 12 LEU HDy% A 28 PHE HBx 1.0 1.8 5.0 138 88 A 28 PHE HBy A 12 LEU HDy% 1.0 1.8 5.0 139 88 A 12 LEU HDx% A 28 PHE HBy 1.0 1.8 5.0 140 89 A 28 PHE HZ A 12 LEU HDy% 1.0 1.8 5.0 141 89 A 12 LEU HDx% A 28 PHE HZ 1.0 1.8 5.0 142 90 A 12 LEU HG A 21 CYS HA 1.0 1.8 5.0 143 91 A 13 GLU HA A 14 ARG H 1.0 1.8 3.5 144 92 A 13 GLU HBy A 20 HIS HBx 1.0 1.8 5.0 145 92 A 13 GLU HBx A 20 HIS HBx 1.0 1.8 5.0 146 92 A 20 HIS HBy A 13 GLU HBx 1.0 1.8 5.0 147 92 A 13 GLU HBy A 20 HIS HBy 1.0 1.8 5.0 148 93 A 20 HIS HD2 A 13 GLU HBx 1.0 1.8 5.0 149 93 A 13 GLU HBy A 20 HIS HD2 1.0 1.8 5.0 150 94 A 20 HIS H A 13 GLU HBx 1.0 1.8 5.0 151 94 A 13 GLU HBy A 20 HIS H 1.0 1.8 5.0 152 95 A 14 ARG H A 13 GLU HGx 1.0 1.8 5.0 153 95 A 14 ARG H A 13 GLU HGy 1.0 1.8 5.0 154 96 A 13 GLU H A 14 ARG H 1.0 1.8 5.0 155 97 A 13 GLU H A 20 HIS H 1.0 1.8 4.0 156 98 A 14 ARG HA A 15 ASN H 1.0 1.8 3.5 157 99 A 14 ARG HA A 19 ALA HA 1.0 1.8 3.0 158 100 A 20 HIS H A 14 ARG HA 1.0 1.8 4.0 159 101 A 15 ASN H A 14 ARG HBx 1.0 1.8 4.5 160 101 A 15 ASN H A 14 ARG HBy 1.0 1.8 4.5 161 102 A 15 ASN H A 14 ARG HGx 1.0 1.8 5.0 162 102 A 15 ASN H A 14 ARG HGy 1.0 1.8 5.0 163 103 A 16 GLY H A 14 ARG HGx 1.0 1.8 5.0 164 103 A 14 ARG HGy A 16 GLY H 1.0 1.8 5.0 165 104 A 16 GLY H A 15 ASN HBx 1.0 1.8 4.5 166 104 A 16 GLY H A 15 ASN HBy 1.0 1.8 4.5 167 105 A 18 THR HG2% A 15 ASN HBx 1.0 1.8 5.0 168 105 A 15 ASN HBy A 18 THR HG2% 1.0 1.8 5.0 169 106 A 18 THR H A 15 ASN HBx 1.0 1.8 5.0 170 106 A 15 ASN HBy A 18 THR H 1.0 1.8 5.0 171 107 A 15 ASN H A 18 THR H 1.0 1.8 4.0 172 108 A 15 ASN H A 19 ALA HA 1.0 1.8 4.0 173 109 A 19 ALA HB% A 15 ASN H 1.0 1.8 5.0 174 110 A 17 ASP HA A 30 LEU HDy% 1.0 1.8 5.0 175 110 A 17 ASP HA A 30 LEU HDx% 1.0 1.8 5.0 176 111 A 18 THR H A 17 ASP HBx 1.0 1.8 4.5 177 111 A 18 THR H A 17 ASP HBy 1.0 1.8 4.5 178 112 A 18 THR H A 17 ASP H 1.0 1.8 5.0 179 113 A 18 THR HA A 19 ALA H 1.0 1.8 3.5 180 114 A 18 THR HA A 29 SER HA 1.0 1.8 4.0 181 115 A 18 THR HA A 30 LEU HDy% 1.0 1.8 5.0 182 115 A 30 LEU HDx% A 18 THR HA 1.0 1.8 5.0 183 116 A 18 THR HA A 30 LEU HG 1.0 1.8 5.0 184 117 A 18 THR HA A 30 LEU H 1.0 1.8 4.0 185 118 A 19 ALA H A 18 THR HB 1.0 1.8 5.0 186 119 A 18 THR HB A 27 ASP HBx 1.0 1.8 5.0 187 119 A 18 THR HB A 27 ASP HBy 1.0 1.8 5.0 188 120 A 18 THR HG2% A 19 ALA H 1.0 1.8 5.0 189 121 A 18 THR HG2% A 27 ASP HBx 1.0 1.8 5.0 190 121 A 18 THR HG2% A 27 ASP HBy 1.0 1.8 5.0 191 122 A 18 THR HG2% A 29 SER HA 1.0 1.8 5.0 192 123 A 18 THR H A 30 LEU HDy% 1.0 1.8 5.0 193 123 A 18 THR H A 30 LEU HDx% 1.0 1.8 5.0 194 124 A 20 HIS H A 19 ALA HA 1.0 1.8 3.5 195 125 A 19 ALA HA A 30 LEU HDy% 1.0 1.8 5.0 196 125 A 19 ALA HA A 30 LEU HDx% 1.0 1.8 5.0 197 126 A 19 ALA HB% A 20 HIS H 1.0 1.8 4.5 198 127 A 19 ALA HB% A 28 PHE HBx 1.0 1.8 5.0 199 127 A 19 ALA HB% A 28 PHE HBy 1.0 1.8 5.0 200 128 A 19 ALA HB% A 28 PHE HD% 1.0 1.8 5.0 201 129 A 19 ALA HB% A 28 PHE H 1.0 1.8 5.0 202 130 A 19 ALA HB% A 30 LEU HDy% 1.0 1.8 5.0 203 130 A 19 ALA HB% A 30 LEU HDx% 1.0 1.8 5.0 204 131 A 19 ALA H A 30 LEU HDy% 1.0 1.8 5.0 205 131 A 30 LEU HDx% A 19 ALA H 1.0 1.8 5.0 206 132 A 21 CYS H A 20 HIS HA 1.0 1.8 3.5 207 133 A 20 HIS HA A 27 ASP HA 1.0 1.8 3.0 208 134 A 28 PHE HD% A 20 HIS HA 1.0 1.8 5.0 209 135 A 21 CYS H A 20 HIS HBx 1.0 1.8 4.5 210 135 A 21 CYS H A 20 HIS HBy 1.0 1.8 4.5 211 136 A 27 ASP HA A 20 HIS HBx 1.0 1.8 5.0 212 136 A 20 HIS HBy A 27 ASP HA 1.0 1.8 5.0 213 137 A 20 HIS HD2 A 22 GLU HA 1.0 1.8 5.0 214 138 A 20 HIS HD2 A 22 GLU HGx 1.0 1.8 5.0 215 138 A 20 HIS HD2 A 22 GLU HGy 1.0 1.8 5.0 216 139 A 20 HIS HE1 A 25 ALA HA 1.0 1.8 5.0 217 140 A 20 HIS HE1 A 25 ALA HB% 1.0 1.8 5.0 218 141 A 21 CYS HA A 22 GLU H 1.0 1.8 3.5 219 142 A 22 GLU H A 21 CYS HBx 1.0 1.8 4.5 220 142 A 22 GLU H A 21 CYS HBy 1.0 1.8 4.5 221 143 A 25 ALA H A 21 CYS HBx 1.0 1.8 5.0 222 143 A 21 CYS HBy A 25 ALA H 1.0 1.8 5.0 223 144 A 21 CYS HBy A 26 LYS HBx 1.0 1.8 5.0 224 144 A 26 LYS HBy A 21 CYS HBx 1.0 1.8 5.0 225 144 A 21 CYS HBy A 26 LYS HBy 1.0 1.8 5.0 226 144 A 21 CYS HBx A 26 LYS HBx 1.0 1.8 5.0 227 145 A 26 LYS H A 21 CYS HBx 1.0 1.8 5.0 228 145 A 21 CYS HBy A 26 LYS H 1.0 1.8 5.0 229 146 A 28 PHE HZ A 21 CYS HBx 1.0 1.8 5.0 230 146 A 28 PHE HZ A 21 CYS HBy 1.0 1.8 5.0 231 147 A 21 CYS H A 26 LYS H 1.0 1.8 4.0 232 148 A 21 CYS H A 27 ASP HA 1.0 1.8 4.0 233 149 A 23 THR H A 22 GLU HBx 1.0 1.8 4.5 234 149 A 23 THR H A 22 GLU HBy 1.0 1.8 4.5 235 150 A 23 THR H A 22 GLU H 1.0 1.8 5.0 236 151 A 23 THR HB A 24 CYS H 1.0 1.8 5.0 237 152 A 23 THR HG2% A 24 CYS H 1.0 1.8 5.0 238 153 A 23 THR H A 24 CYS H 1.0 1.8 5.0 239 154 A 25 ALA H A 24 CYS HBx 1.0 1.8 4.5 240 154 A 24 CYS HBy A 25 ALA H 1.0 1.8 4.5 241 155 A 24 CYS HBx A 26 LYS HBx 1.0 1.8 5.0 242 155 A 24 CYS HBy A 26 LYS HBx 1.0 1.8 5.0 243 155 A 26 LYS HBy A 24 CYS HBx 1.0 1.8 5.0 244 155 A 24 CYS HBy A 26 LYS HBy 1.0 1.8 5.0 245 156 A 24 CYS HBx A 26 LYS HDx 1.0 1.8 5.0 246 156 A 24 CYS HBy A 26 LYS HDx 1.0 1.8 5.0 247 156 A 26 LYS HDy A 24 CYS HBx 1.0 1.8 5.0 248 156 A 24 CYS HBy A 26 LYS HDy 1.0 1.8 5.0 249 157 A 24 CYS HBy A 26 LYS HGx 1.0 1.8 5.0 250 157 A 24 CYS HBx A 26 LYS HGx 1.0 1.8 5.0 251 157 A 26 LYS HGy A 24 CYS HBx 1.0 1.8 5.0 252 157 A 24 CYS HBy A 26 LYS HGy 1.0 1.8 5.0 253 158 A 25 ALA H A 24 CYS H 1.0 1.8 5.0 254 159 A 25 ALA HB% A 26 LYS H 1.0 1.8 4.5 255 160 A 25 ALA H A 26 LYS H 1.0 1.8 5.0 256 161 A 28 PHE HZ A 26 LYS HBx 1.0 1.8 5.0 257 161 A 28 PHE HZ A 26 LYS HBy 1.0 1.8 5.0 258 162 A 28 PHE HZ A 26 LYS HDx 1.0 1.8 5.0 259 162 A 28 PHE HZ A 26 LYS HDy 1.0 1.8 5.0 260 163 A 28 PHE HZ A 26 LYS HEx 1.0 1.8 5.0 261 163 A 28 PHE HZ A 26 LYS HEy 1.0 1.8 5.0 262 164 A 28 PHE HZ A 26 LYS HGx 1.0 1.8 5.0 263 164 A 28 PHE HZ A 26 LYS HGy 1.0 1.8 5.0 264 165 A 28 PHE H A 27 ASP HA 1.0 1.8 3.5 265 166 A 28 PHE H A 27 ASP HBx 1.0 1.8 4.5 266 166 A 27 ASP HBy A 28 PHE H 1.0 1.8 4.5 267 167 A 28 PHE HA A 29 SER H 1.0 1.8 3.5 268 168 A 28 PHE HA A 70 ILE HG2% 1.0 1.8 5.0 269 169 A 29 SER H A 28 PHE HBx 1.0 1.8 4.5 270 169 A 28 PHE HBy A 29 SER H 1.0 1.8 4.5 271 170 A 28 PHE HBy A 30 LEU HDy% 1.0 1.8 5.0 272 170 A 28 PHE HBx A 30 LEU HDy% 1.0 1.8 5.0 273 170 A 30 LEU HDx% A 28 PHE HBx 1.0 1.8 5.0 274 170 A 28 PHE HBy A 30 LEU HDx% 1.0 1.8 5.0 275 171 A 70 ILE HD1% A 28 PHE HBx 1.0 1.8 5.0 276 171 A 70 ILE HD1% A 28 PHE HBy 1.0 1.8 5.0 277 172 A 70 ILE HG2% A 28 PHE HBx 1.0 1.8 5.0 278 172 A 28 PHE HBy A 70 ILE HG2% 1.0 1.8 5.0 279 173 A 70 ILE HD1% A 28 PHE HD% 1.0 1.8 5.0 280 174 A 28 PHE HD% A 70 ILE HG2% 1.0 1.8 5.0 281 175 A 28 PHE H A 30 LEU HDy% 1.0 1.8 5.0 282 175 A 30 LEU HDx% A 28 PHE H 1.0 1.8 5.0 283 176 A 70 ILE HD1% A 28 PHE HZ 1.0 1.8 5.0 284 177 A 29 SER HA A 30 LEU H 1.0 1.8 3.5 285 178 A 30 LEU H A 29 SER HBx 1.0 1.8 4.5 286 178 A 30 LEU H A 29 SER HBy 1.0 1.8 4.5 287 179 A 70 ILE HG2% A 29 SER HBx 1.0 1.8 5.0 288 179 A 70 ILE HG2% A 29 SER HBy 1.0 1.8 5.0 289 180 A 29 SER H A 70 ILE HG2% 1.0 1.8 5.0 290 181 A 30 LEU HA A 70 ILE HA 1.0 1.8 3.0 291 182 A 70 ILE HG2% A 30 LEU HA 1.0 1.8 5.0 292 183 A 30 LEU HA A 71 SER H 1.0 1.8 4.0 293 184 A 30 LEU HBy A 68 PHE HBx 1.0 1.8 5.0 294 184 A 30 LEU HBx A 68 PHE HBx 1.0 1.8 5.0 295 184 A 68 PHE HBy A 30 LEU HBx 1.0 1.8 5.0 296 184 A 30 LEU HBy A 68 PHE HBy 1.0 1.8 5.0 297 185 A 68 PHE HD% A 30 LEU HBx 1.0 1.8 5.0 298 185 A 30 LEU HBy A 68 PHE HD% 1.0 1.8 5.0 299 186 A 70 ILE HD1% A 30 LEU HDx% 1.0 1.8 5.0 300 187 A 68 PHE HD% A 30 LEU HDy% 1.0 1.8 5.0 301 188 A 70 ILE HD1% A 30 LEU HDy% 1.0 1.8 5.0 302 189 A 30 LEU HDx% A 68 PHE HBx 1.0 1.8 5.0 303 189 A 30 LEU HDy% A 68 PHE HBx 1.0 1.8 5.0 304 189 A 68 PHE HBy A 30 LEU HDy% 1.0 1.8 5.0 305 189 A 30 LEU HDx% A 68 PHE HBy 1.0 1.8 5.0 306 190 A 68 PHE HD% A 30 LEU HDy% 1.0 1.8 5.0 307 190 A 30 LEU HDx% A 68 PHE HD% 1.0 1.8 5.0 308 191 A 70 ILE HA A 30 LEU HDy% 1.0 1.8 5.0 309 191 A 30 LEU HDx% A 70 ILE HA 1.0 1.8 5.0 310 192 A 70 ILE HB A 30 LEU HDy% 1.0 1.8 5.0 311 192 A 30 LEU HDx% A 70 ILE HB 1.0 1.8 5.0 312 193 A 71 SER H A 30 LEU HDy% 1.0 1.8 5.0 313 193 A 30 LEU HDx% A 71 SER H 1.0 1.8 5.0 314 194 A 31 GLN HA A 32 ALA H 1.0 1.8 3.5 315 195 A 32 ALA H A 31 GLN HBx 1.0 1.8 4.5 316 195 A 32 ALA H A 31 GLN HBy 1.0 1.8 4.5 317 196 A 31 GLN HBy A 33 LEU HDx% 1.0 1.8 5.0 318 196 A 33 LEU HDx% A 31 GLN HBx 1.0 1.8 5.0 319 197 A 31 GLN HBy A 33 LEU HDy% 1.0 1.8 5.0 320 197 A 31 GLN HBx A 33 LEU HDy% 1.0 1.8 5.0 321 198 A 31 GLN HBx A 69 VAL HGy% 1.0 1.8 5.0 322 198 A 31 GLN HBy A 69 VAL HGy% 1.0 1.8 5.0 323 198 A 69 VAL HGx% A 31 GLN HBx 1.0 1.8 5.0 324 198 A 31 GLN HBy A 69 VAL HGx% 1.0 1.8 5.0 325 199 A 31 GLN HBy A 71 SER HBx 1.0 1.8 5.0 326 199 A 71 SER HBy A 31 GLN HBx 1.0 1.8 5.0 327 199 A 31 GLN HBy A 71 SER HBy 1.0 1.8 5.0 328 199 A 31 GLN HBx A 71 SER HBx 1.0 1.8 5.0 329 200 A 32 ALA H A 31 GLN HGx 1.0 1.8 5.0 330 200 A 32 ALA H A 31 GLN HGy 1.0 1.8 5.0 331 201 A 31 GLN HGx A 33 LEU HDy% 1.0 1.8 5.0 332 201 A 33 LEU HDx% A 31 GLN HGx 1.0 1.8 5.0 333 201 A 31 GLN HGy A 33 LEU HDx% 1.0 1.8 5.0 334 201 A 31 GLN HGy A 33 LEU HDy% 1.0 1.8 5.0 335 202 A 52 TYR HE% A 31 GLN HGx 1.0 1.8 5.0 336 202 A 31 GLN HGy A 52 TYR HE% 1.0 1.8 5.0 337 203 A 31 GLN HGy A 69 VAL HGy% 1.0 1.8 5.0 338 203 A 69 VAL HGx% A 31 GLN HGx 1.0 1.8 5.0 339 203 A 69 VAL HGx% A 31 GLN HGy 1.0 1.8 5.0 340 203 A 31 GLN HGx A 69 VAL HGy% 1.0 1.8 5.0 341 204 A 32 ALA HA A 33 LEU H 1.0 1.8 3.5 342 205 A 32 ALA HA A 66 VAL HGy% 1.0 1.8 5.0 343 205 A 32 ALA HA A 66 VAL HGx% 1.0 1.8 5.0 344 206 A 32 ALA HA A 68 PHE HA 1.0 1.8 3.0 345 207 A 68 PHE HD% A 32 ALA HA 1.0 1.8 5.0 346 208 A 32 ALA HA A 69 VAL H 1.0 1.8 4.0 347 209 A 33 LEU H A 32 ALA HB% 1.0 1.8 4.5 348 210 A 32 ALA HB% A 41 LEU HBx 1.0 1.8 5.0 349 210 A 32 ALA HB% A 41 LEU HBy 1.0 1.8 5.0 350 211 A 32 ALA HB% A 41 LEU HDy% 1.0 1.8 5.0 351 211 A 32 ALA HB% A 41 LEU HDx% 1.0 1.8 5.0 352 212 A 32 ALA HB% A 51 ASP HA 1.0 1.8 5.0 353 213 A 32 ALA HB% A 51 ASP HBx 1.0 1.8 5.0 354 213 A 32 ALA HB% A 51 ASP HBy 1.0 1.8 5.0 355 214 A 32 ALA HB% A 52 TYR HA 1.0 1.8 5.0 356 215 A 32 ALA HB% A 52 TYR HBx 1.0 1.8 5.0 357 215 A 32 ALA HB% A 52 TYR HBy 1.0 1.8 5.0 358 216 A 32 ALA HB% A 52 TYR HD% 1.0 1.8 5.0 359 217 A 32 ALA HB% A 52 TYR H 1.0 1.8 5.0 360 218 A 32 ALA HB% A 53 PHE HA 1.0 1.8 5.0 361 219 A 32 ALA HB% A 53 PHE HBx 1.0 1.8 5.0 362 219 A 32 ALA HB% A 53 PHE HBy 1.0 1.8 5.0 363 220 A 32 ALA HB% A 53 PHE HD% 1.0 1.8 5.0 364 221 A 66 VAL HGx% A 32 ALA HB% 1.0 1.8 5.0 365 222 A 32 ALA HB% A 66 VAL HGy% 1.0 1.8 5.0 366 223 A 68 PHE HD% A 32 ALA HB% 1.0 1.8 5.0 367 224 A 32 ALA HB% A 68 PHE HE% 1.0 1.8 5.0 368 225 A 33 LEU HA A 34 CYS H 1.0 1.8 3.5 369 226 A 41 LEU HDx% A 33 LEU HA 1.0 1.8 5.0 370 227 A 33 LEU HA A 41 LEU HDy% 1.0 1.8 5.0 371 228 A 34 CYS H A 33 LEU HBx 1.0 1.8 4.5 372 228 A 34 CYS H A 33 LEU HBy 1.0 1.8 4.5 373 229 A 38 ARG HA A 33 LEU HBx 1.0 1.8 5.0 374 229 A 33 LEU HBy A 38 ARG HA 1.0 1.8 5.0 375 230 A 33 LEU HBy A 38 ARG HBx 1.0 1.8 5.0 376 230 A 33 LEU HBx A 38 ARG HBx 1.0 1.8 5.0 377 230 A 38 ARG HBy A 33 LEU HBx 1.0 1.8 5.0 378 230 A 33 LEU HBy A 38 ARG HBy 1.0 1.8 5.0 379 231 A 33 LEU HBy A 38 ARG HGx 1.0 1.8 5.0 380 231 A 33 LEU HBx A 38 ARG HGx 1.0 1.8 5.0 381 231 A 38 ARG HGy A 33 LEU HBx 1.0 1.8 5.0 382 231 A 33 LEU HBy A 38 ARG HGy 1.0 1.8 5.0 383 232 A 33 LEU HBx A 67 ASN HBx 1.0 1.8 5.0 384 232 A 33 LEU HBy A 67 ASN HBx 1.0 1.8 5.0 385 232 A 67 ASN HBy A 33 LEU HBx 1.0 1.8 5.0 386 232 A 33 LEU HBy A 67 ASN HBy 1.0 1.8 5.0 387 233 A 67 ASN H A 33 LEU HBx 1.0 1.8 5.0 388 233 A 33 LEU HBy A 67 ASN H 1.0 1.8 5.0 389 234 A 33 LEU HBy A 69 VAL HGy% 1.0 1.8 5.0 390 234 A 33 LEU HBx A 69 VAL HGy% 1.0 1.8 5.0 391 234 A 69 VAL HGx% A 33 LEU HBx 1.0 1.8 5.0 392 234 A 69 VAL HGx% A 33 LEU HBy 1.0 1.8 5.0 393 235 A 33 LEU HDx% A 38 ARG HA 1.0 1.8 5.0 394 236 A 33 LEU HDx% A 38 ARG HGy 1.0 1.8 5.0 395 236 A 33 LEU HDx% A 38 ARG HGx 1.0 1.8 5.0 396 237 A 38 ARG HA A 33 LEU HDy% 1.0 1.8 5.0 397 238 A 33 LEU HDx% A 38 ARG HBx 1.0 1.8 5.0 398 238 A 33 LEU HDy% A 38 ARG HBx 1.0 1.8 5.0 399 238 A 38 ARG HBy A 33 LEU HDy% 1.0 1.8 5.0 400 238 A 33 LEU HDx% A 38 ARG HBy 1.0 1.8 5.0 401 239 A 33 LEU HDy% A 38 ARG HGx 1.0 1.8 5.0 402 239 A 33 LEU HDx% A 38 ARG HGx 1.0 1.8 5.0 403 239 A 38 ARG HGy A 33 LEU HDy% 1.0 1.8 5.0 404 239 A 33 LEU HDx% A 38 ARG HGy 1.0 1.8 5.0 405 240 A 52 TYR HD% A 33 LEU HDy% 1.0 1.8 5.0 406 240 A 33 LEU HDx% A 52 TYR HD% 1.0 1.8 5.0 407 241 A 33 LEU HDx% A 69 VAL HGy% 1.0 1.8 5.0 408 241 A 69 VAL HGx% A 33 LEU HDy% 1.0 1.8 5.0 409 241 A 69 VAL HGx% A 33 LEU HDx% 1.0 1.8 5.0 410 241 A 33 LEU HDy% A 69 VAL HGy% 1.0 1.8 5.0 411 242 A 33 LEU HG A 38 ARG HBx 1.0 1.8 5.0 412 242 A 38 ARG HBy A 33 LEU HG 1.0 1.8 5.0 413 243 A 33 LEU HG A 38 ARG HDx 1.0 1.8 5.0 414 243 A 33 LEU HG A 38 ARG HDy 1.0 1.8 5.0 415 244 A 33 LEU H A 66 VAL HGy% 1.0 1.8 5.0 416 244 A 33 LEU H A 66 VAL HGx% 1.0 1.8 5.0 417 245 A 33 LEU H A 67 ASN H 1.0 1.8 4.0 418 246 A 33 LEU H A 68 PHE HA 1.0 1.8 4.0 419 247 A 67 ASN H A 34 CYS HA 1.0 1.8 4.0 420 248 A 34 CYS HBx A 41 LEU HDy% 1.0 1.8 5.0 421 248 A 34 CYS HBy A 41 LEU HDy% 1.0 1.8 5.0 422 248 A 41 LEU HDx% A 34 CYS HBx 1.0 1.8 5.0 423 248 A 41 LEU HDx% A 34 CYS HBy 1.0 1.8 5.0 424 249 A 34 CYS HBx A 61 ILE HG1x 1.0 1.8 5.0 425 249 A 34 CYS HBy A 61 ILE HG1x 1.0 1.8 5.0 426 249 A 61 ILE HG1y A 34 CYS HBx 1.0 1.8 5.0 427 249 A 34 CYS HBy A 61 ILE HG1y 1.0 1.8 5.0 428 250 A 34 CYS H A 39 GLN H 1.0 1.8 5.0 429 251 A 41 LEU HDx% A 34 CYS H 1.0 1.8 5.0 430 252 A 34 CYS H A 41 LEU HDy% 1.0 1.8 5.0 431 252 A 41 LEU HDx% A 34 CYS H 1.0 1.8 5.0 432 253 A 36 ASP H A 35 PRO HDx 1.0 1.8 5.0 433 253 A 35 PRO HDy A 36 ASP H 1.0 1.8 5.0 434 254 A 41 LEU HDx% A 35 PRO HDy 1.0 1.8 5.0 435 254 A 41 LEU HDx% A 35 PRO HDx 1.0 1.8 5.0 436 255 A 35 PRO HDy A 41 LEU HDy% 1.0 1.8 5.0 437 255 A 35 PRO HDx A 41 LEU HDy% 1.0 1.8 5.0 438 256 A 61 ILE HD1% A 35 PRO HDx 1.0 1.8 5.0 439 256 A 35 PRO HDy A 61 ILE HD1% 1.0 1.8 5.0 440 257 A 35 PRO HDy A 61 ILE HG1x 1.0 1.8 5.0 441 257 A 61 ILE HG1y A 35 PRO HDx 1.0 1.8 5.0 442 257 A 61 ILE HG1y A 35 PRO HDy 1.0 1.8 5.0 443 257 A 35 PRO HDx A 61 ILE HG1x 1.0 1.8 5.0 444 258 A 61 ILE HG2% A 35 PRO HDx 1.0 1.8 5.0 445 258 A 35 PRO HDy A 61 ILE HG2% 1.0 1.8 5.0 446 259 A 66 VAL HA A 35 PRO HDx 1.0 1.8 5.0 447 259 A 35 PRO HDy A 66 VAL HA 1.0 1.8 5.0 448 260 A 67 ASN H A 35 PRO HDx 1.0 1.8 5.0 449 260 A 67 ASN H A 35 PRO HDy 1.0 1.8 5.0 450 261 A 37 CYS H A 36 ASP HBx 1.0 1.8 4.5 451 261 A 36 ASP HBy A 37 CYS H 1.0 1.8 4.5 452 262 A 36 ASP H A 37 CYS H 1.0 1.8 5.0 453 263 A 37 CYS HA A 39 GLN HGx 1.0 1.8 5.0 454 263 A 37 CYS HA A 39 GLN HGy 1.0 1.8 5.0 455 264 A 37 CYS HBy A 39 GLN HGx 1.0 1.8 5.0 456 264 A 37 CYS HBx A 39 GLN HGx 1.0 1.8 5.0 457 264 A 39 GLN HGy A 37 CYS HBx 1.0 1.8 5.0 458 264 A 39 GLN HGy A 37 CYS HBy 1.0 1.8 5.0 459 265 A 39 GLN HA A 40 PRO HDx 1.0 1.8 3.9 460 265 A 39 GLN HA A 40 PRO HDy 1.0 1.8 3.9 461 266 A 39 GLN HA A 41 LEU HDy% 1.0 1.8 5.0 462 266 A 41 LEU HDx% A 39 GLN HA 1.0 1.8 5.0 463 267 A 39 GLN HBy A 41 LEU HDy% 1.0 1.8 5.0 464 267 A 39 GLN HBx A 41 LEU HDy% 1.0 1.8 5.0 465 267 A 41 LEU HDx% A 39 GLN HBx 1.0 1.8 5.0 466 267 A 41 LEU HDx% A 39 GLN HBy 1.0 1.8 5.0 467 268 A 41 LEU H A 40 PRO HBx 1.0 1.8 4.5 468 268 A 40 PRO HBy A 41 LEU H 1.0 1.8 4.5 469 269 A 41 LEU HA A 54 CYS HA 1.0 1.8 5.0 470 270 A 42 GLN H A 41 LEU HBx 1.0 1.8 4.5 471 270 A 41 LEU HBy A 42 GLN H 1.0 1.8 4.5 472 271 A 52 TYR HA A 41 LEU HBx 1.0 1.8 5.0 473 271 A 41 LEU HBy A 52 TYR HA 1.0 1.8 5.0 474 272 A 41 LEU HBy A 52 TYR HBx 1.0 1.8 5.0 475 272 A 41 LEU HBx A 52 TYR HBx 1.0 1.8 5.0 476 272 A 52 TYR HBy A 41 LEU HBx 1.0 1.8 5.0 477 272 A 41 LEU HBy A 52 TYR HBy 1.0 1.8 5.0 478 273 A 52 TYR HD% A 41 LEU HBx 1.0 1.8 5.0 479 273 A 41 LEU HBy A 52 TYR HD% 1.0 1.8 5.0 480 274 A 53 PHE H A 41 LEU HBx 1.0 1.8 5.0 481 274 A 41 LEU HBy A 53 PHE H 1.0 1.8 5.0 482 275 A 41 LEU HDx% A 52 TYR HBy 1.0 1.8 5.0 483 275 A 41 LEU HDx% A 52 TYR HBx 1.0 1.8 5.0 484 276 A 41 LEU HDx% A 54 CYS HBy 1.0 1.8 5.0 485 276 A 41 LEU HDx% A 54 CYS HBx 1.0 1.8 5.0 486 277 A 41 LEU HDx% A 61 ILE HG1y 1.0 1.8 5.0 487 277 A 41 LEU HDx% A 61 ILE HG1x 1.0 1.8 5.0 488 278 A 52 TYR HBy A 41 LEU HDy% 1.0 1.8 5.0 489 278 A 41 LEU HDy% A 52 TYR HBx 1.0 1.8 5.0 490 279 A 54 CYS HBy A 41 LEU HDy% 1.0 1.8 5.0 491 279 A 41 LEU HDy% A 54 CYS HBx 1.0 1.8 5.0 492 280 A 61 ILE HG1y A 41 LEU HDy% 1.0 1.8 5.0 493 280 A 41 LEU HDy% A 61 ILE HG1x 1.0 1.8 5.0 494 281 A 66 VAL HGx% A 41 LEU HDy% 1.0 1.8 5.0 495 281 A 41 LEU HDy% A 66 VAL HGy% 1.0 1.8 5.0 496 282 A 42 GLN H A 41 LEU HDy% 1.0 1.8 5.0 497 282 A 41 LEU HDx% A 42 GLN H 1.0 1.8 5.0 498 283 A 52 TYR HD% A 41 LEU HDy% 1.0 1.8 5.0 499 283 A 41 LEU HDx% A 52 TYR HD% 1.0 1.8 5.0 500 284 A 52 TYR H A 41 LEU HDy% 1.0 1.8 5.0 501 284 A 41 LEU HDx% A 52 TYR H 1.0 1.8 5.0 502 285 A 53 PHE HA A 41 LEU HDy% 1.0 1.8 5.0 503 285 A 41 LEU HDx% A 53 PHE HA 1.0 1.8 5.0 504 286 A 54 CYS H A 41 LEU HDy% 1.0 1.8 5.0 505 286 A 41 LEU HDx% A 54 CYS H 1.0 1.8 5.0 506 287 A 66 VAL HA A 41 LEU HDy% 1.0 1.8 5.0 507 287 A 41 LEU HDx% A 66 VAL HA 1.0 1.8 5.0 508 288 A 66 VAL HGx% A 41 LEU HDy% 1.0 1.8 5.0 509 288 A 66 VAL HGx% A 41 LEU HDx% 1.0 1.8 5.0 510 289 A 41 LEU HDy% A 66 VAL HGy% 1.0 1.8 5.0 511 289 A 41 LEU HDx% A 66 VAL HGy% 1.0 1.8 5.0 512 290 A 67 ASN H A 41 LEU HDy% 1.0 1.8 5.0 513 290 A 41 LEU HDx% A 67 ASN H 1.0 1.8 5.0 514 291 A 42 GLN HA A 43 VAL H 1.0 1.8 3.5 515 292 A 43 VAL H A 42 GLN HBx 1.0 1.8 4.5 516 292 A 43 VAL H A 42 GLN HBy 1.0 1.8 4.5 517 293 A 54 CYS HA A 42 GLN HBx 1.0 1.8 5.0 518 293 A 54 CYS HA A 42 GLN HBy 1.0 1.8 5.0 519 294 A 43 VAL H A 42 GLN HGx 1.0 1.8 5.0 520 294 A 43 VAL H A 42 GLN HGy 1.0 1.8 5.0 521 295 A 42 GLN HGx A 44 LEU HDy% 1.0 1.8 5.0 522 295 A 42 GLN HGy A 44 LEU HDy% 1.0 1.8 5.0 523 295 A 44 LEU HDx% A 42 GLN HGx 1.0 1.8 5.0 524 295 A 42 GLN HGy A 44 LEU HDx% 1.0 1.8 5.0 525 296 A 42 GLN H A 44 LEU HDy% 1.0 1.8 5.0 526 296 A 42 GLN H A 44 LEU HDx% 1.0 1.8 5.0 527 297 A 42 GLN H A 44 LEU HG 1.0 1.8 5.0 528 298 A 43 VAL HA A 44 LEU H 1.0 1.8 3.5 529 299 A 52 TYR HA A 43 VAL HA 1.0 1.8 4.0 530 300 A 52 TYR HD% A 43 VAL HA 1.0 1.8 5.0 531 301 A 52 TYR HE% A 43 VAL HA 1.0 1.8 5.0 532 302 A 53 PHE H A 43 VAL HA 1.0 1.8 4.0 533 303 A 44 LEU H A 43 VAL HGx% 1.0 1.8 5.0 534 304 A 52 TYR HA A 43 VAL HGx% 1.0 1.8 5.0 535 305 A 52 TYR HD% A 43 VAL HGx% 1.0 1.8 5.0 536 306 A 52 TYR HE% A 43 VAL HGx% 1.0 1.8 5.0 537 307 A 44 LEU H A 43 VAL HGy% 1.0 1.8 5.0 538 308 A 52 TYR HA A 43 VAL HGy% 1.0 1.8 5.0 539 309 A 52 TYR HD% A 43 VAL HGy% 1.0 1.8 5.0 540 310 A 52 TYR HE% A 43 VAL HGy% 1.0 1.8 5.0 541 311 A 43 VAL HGy% A 45 LYS HEx 1.0 1.8 5.0 542 311 A 43 VAL HGx% A 45 LYS HEx 1.0 1.8 5.0 543 311 A 45 LYS HEy A 43 VAL HGy% 1.0 1.8 5.0 544 311 A 43 VAL HGx% A 45 LYS HEy 1.0 1.8 5.0 545 312 A 43 VAL HGx% A 45 LYS HGx 1.0 1.8 5.0 546 312 A 43 VAL HGy% A 45 LYS HGx 1.0 1.8 5.0 547 312 A 45 LYS HGy A 43 VAL HGy% 1.0 1.8 5.0 548 312 A 43 VAL HGx% A 45 LYS HGy 1.0 1.8 5.0 549 313 A 44 LEU HA A 45 LYS H 1.0 1.8 3.5 550 314 A 44 LEU HBx A 51 ASP HBx 1.0 1.8 5.0 551 314 A 44 LEU HBy A 51 ASP HBx 1.0 1.8 5.0 552 314 A 51 ASP HBy A 44 LEU HBx 1.0 1.8 5.0 553 314 A 51 ASP HBy A 44 LEU HBy 1.0 1.8 5.0 554 315 A 52 TYR HA A 44 LEU HBx 1.0 1.8 5.0 555 315 A 52 TYR HA A 44 LEU HBy 1.0 1.8 5.0 556 316 A 51 ASP HBy A 44 LEU HDy% 1.0 1.8 5.0 557 316 A 44 LEU HDy% A 51 ASP HBx 1.0 1.8 5.0 558 317 A 45 LYS H A 44 LEU HDy% 1.0 1.8 5.0 559 317 A 44 LEU HDx% A 45 LYS H 1.0 1.8 5.0 560 318 A 44 LEU HDy% A 51 ASP HBx 1.0 1.8 5.0 561 318 A 44 LEU HDx% A 51 ASP HBx 1.0 1.8 5.0 562 318 A 51 ASP HBy A 44 LEU HDy% 1.0 1.8 5.0 563 318 A 51 ASP HBy A 44 LEU HDx% 1.0 1.8 5.0 564 319 A 52 TYR HA A 44 LEU HDy% 1.0 1.8 5.0 565 319 A 52 TYR HA A 44 LEU HDx% 1.0 1.8 5.0 566 320 A 53 PHE HA A 44 LEU HDy% 1.0 1.8 5.0 567 320 A 53 PHE HA A 44 LEU HDx% 1.0 1.8 5.0 568 321 A 44 LEU HDx% A 53 PHE HBx 1.0 1.8 5.0 569 321 A 44 LEU HDy% A 53 PHE HBx 1.0 1.8 5.0 570 321 A 53 PHE HBy A 44 LEU HDy% 1.0 1.8 5.0 571 321 A 53 PHE HBy A 44 LEU HDx% 1.0 1.8 5.0 572 322 A 53 PHE HD% A 44 LEU HDy% 1.0 1.8 5.0 573 322 A 53 PHE HD% A 44 LEU HDx% 1.0 1.8 5.0 574 323 A 53 PHE HE% A 44 LEU HDy% 1.0 1.8 5.0 575 323 A 44 LEU HDx% A 53 PHE HE% 1.0 1.8 5.0 576 324 A 53 PHE H A 44 LEU HDy% 1.0 1.8 5.0 577 324 A 53 PHE H A 44 LEU HDx% 1.0 1.8 5.0 578 325 A 54 CYS HA A 44 LEU HDy% 1.0 1.8 5.0 579 325 A 54 CYS HA A 44 LEU HDx% 1.0 1.8 5.0 580 326 A 54 CYS H A 44 LEU HDy% 1.0 1.8 5.0 581 326 A 54 CYS H A 44 LEU HDx% 1.0 1.8 5.0 582 327 A 52 TYR HA A 44 LEU HG 1.0 1.8 5.0 583 328 A 44 LEU H A 51 ASP HBx 1.0 1.8 5.0 584 328 A 51 ASP HBy A 44 LEU H 1.0 1.8 5.0 585 329 A 44 LEU H A 51 ASP H 1.0 1.8 4.0 586 330 A 52 TYR HA A 44 LEU H 1.0 1.8 4.0 587 331 A 45 LYS HA A 46 ALA H 1.0 1.8 3.5 588 332 A 45 LYS HA A 50 VAL HA 1.0 1.8 4.0 589 333 A 45 LYS HA A 50 VAL HGx% 1.0 1.8 5.0 590 334 A 45 LYS HA A 50 VAL HGy% 1.0 1.8 5.0 591 335 A 51 ASP H A 45 LYS HA 1.0 1.8 4.0 592 336 A 46 ALA H A 45 LYS HBx 1.0 1.8 4.5 593 336 A 46 ALA H A 45 LYS HBy 1.0 1.8 4.5 594 337 A 45 LYS HBx A 50 VAL HGy% 1.0 1.8 5.0 595 337 A 45 LYS HBy A 50 VAL HGy% 1.0 1.8 5.0 596 337 A 50 VAL HGx% A 45 LYS HBx 1.0 1.8 5.0 597 337 A 45 LYS HBy A 50 VAL HGx% 1.0 1.8 5.0 598 338 A 45 LYS HGx A 50 VAL HGy% 1.0 1.8 5.0 599 338 A 45 LYS HGy A 50 VAL HGy% 1.0 1.8 5.0 600 338 A 50 VAL HGx% A 45 LYS HGx 1.0 1.8 5.0 601 338 A 45 LYS HGy A 50 VAL HGx% 1.0 1.8 5.0 602 339 A 46 ALA HB% A 47 CYS H 1.0 1.8 4.5 603 340 A 46 ALA HB% A 49 ALA H 1.0 1.8 5.0 604 341 A 46 ALA H A 47 CYS H 1.0 1.8 5.0 605 342 A 46 ALA H A 49 ALA H 1.0 1.8 4.0 606 343 A 48 GLY H A 47 CYS HBx 1.0 1.8 4.5 607 343 A 47 CYS HBy A 48 GLY H 1.0 1.8 4.5 608 344 A 47 CYS H A 48 GLY H 1.0 1.8 5.0 609 345 A 49 ALA H A 48 GLY H 1.0 1.8 5.0 610 346 A 49 ALA HA A 50 VAL H 1.0 1.8 3.5 611 347 A 50 VAL H A 49 ALA HB% 1.0 1.8 4.5 612 348 A 51 ASP H A 50 VAL HA 1.0 1.8 3.5 613 349 A 51 ASP H A 50 VAL HB 1.0 1.8 5.0 614 350 A 51 ASP H A 50 VAL HGy% 1.0 1.8 5.0 615 351 A 51 ASP H A 50 VAL HGy% 1.0 1.8 5.0 616 351 A 51 ASP H A 50 VAL HGx% 1.0 1.8 5.0 617 352 A 52 TYR HD% A 50 VAL HGy% 1.0 1.8 5.0 618 352 A 52 TYR HD% A 50 VAL HGx% 1.0 1.8 5.0 619 353 A 52 TYR HE% A 50 VAL HGy% 1.0 1.8 5.0 620 353 A 52 TYR HE% A 50 VAL HGx% 1.0 1.8 5.0 621 354 A 51 ASP HA A 52 TYR H 1.0 1.8 3.5 622 355 A 52 TYR H A 51 ASP HBx 1.0 1.8 4.5 623 355 A 51 ASP HBy A 52 TYR H 1.0 1.8 4.5 624 356 A 52 TYR HA A 53 PHE H 1.0 1.8 3.5 625 357 A 53 PHE H A 52 TYR HBx 1.0 1.8 4.5 626 357 A 52 TYR HBy A 53 PHE H 1.0 1.8 4.5 627 358 A 52 TYR HD% A 53 PHE H 1.0 1.8 5.0 628 359 A 53 PHE HA A 60 LEU HA 1.0 1.8 5.0 629 360 A 53 PHE HA A 61 ILE H 1.0 1.8 5.0 630 361 A 54 CYS H A 53 PHE HBx 1.0 1.8 4.5 631 361 A 53 PHE HBy A 54 CYS H 1.0 1.8 4.5 632 362 A 53 PHE HD% A 55 GLN HA 1.0 1.8 5.0 633 363 A 53 PHE HD% A 55 GLN HGx 1.0 1.8 5.0 634 363 A 53 PHE HD% A 55 GLN HGy 1.0 1.8 5.0 635 364 A 53 PHE HD% A 63 LYS HA 1.0 1.8 5.0 636 365 A 66 VAL HGx% A 53 PHE HD% 1.0 1.8 5.0 637 366 A 53 PHE HD% A 66 VAL HGy% 1.0 1.8 5.0 638 367 A 53 PHE HE% A 55 GLN HA 1.0 1.8 5.0 639 368 A 53 PHE HE% A 55 GLN HGx 1.0 1.8 5.0 640 368 A 53 PHE HE% A 55 GLN HGy 1.0 1.8 5.0 641 369 A 58 HIS H A 54 CYS HBx 1.0 1.8 5.0 642 369 A 54 CYS HBy A 58 HIS H 1.0 1.8 5.0 643 370 A 61 ILE HD1% A 54 CYS HBx 1.0 1.8 5.0 644 370 A 61 ILE HD1% A 54 CYS HBy 1.0 1.8 5.0 645 371 A 54 CYS H A 59 GLY H 1.0 1.8 5.0 646 372 A 56 ASN H A 55 GLN HBx 1.0 1.8 4.5 647 372 A 55 GLN HBy A 56 ASN H 1.0 1.8 4.5 648 373 A 57 GLY H A 56 ASN HBx 1.0 1.8 4.5 649 373 A 56 ASN HBy A 57 GLY H 1.0 1.8 4.5 650 374 A 56 ASN H A 57 GLY H 1.0 1.8 5.0 651 375 A 58 HIS H A 57 GLY H 1.0 1.8 5.0 652 376 A 61 ILE HD1% A 58 HIS HBx 1.0 1.8 5.0 653 376 A 61 ILE HD1% A 58 HIS HBy 1.0 1.8 5.0 654 377 A 58 HIS H A 59 GLY H 1.0 1.8 5.0 655 378 A 61 ILE H A 60 LEU HBx 1.0 1.8 4.5 656 378 A 61 ILE H A 60 LEU HBy 1.0 1.8 4.5 657 379 A 61 ILE H A 60 LEU HDx% 1.0 1.8 5.0 658 379 A 61 ILE H A 60 LEU HDy% 1.0 1.8 5.0 659 380 A 61 ILE HB A 66 VAL HGy% 1.0 1.8 5.0 660 380 A 66 VAL HGx% A 61 ILE HB 1.0 1.8 5.0 661 381 A 61 ILE HD1% A 62 SER H 1.0 1.8 5.0 662 382 A 61 ILE HG2% A 62 SER H 1.0 1.8 5.0 663 383 A 61 ILE HG2% A 65 ARG HBx 1.0 1.8 5.0 664 383 A 61 ILE HG2% A 65 ARG HBy 1.0 1.8 5.0 665 384 A 61 ILE HG2% A 65 ARG HDx 1.0 1.8 5.0 666 384 A 61 ILE HG2% A 65 ARG HDy 1.0 1.8 5.0 667 385 A 61 ILE HG2% A 66 VAL HA 1.0 1.8 5.0 668 386 A 66 VAL HGx% A 61 ILE HG2% 1.0 1.8 5.0 669 387 A 61 ILE HG2% A 66 VAL HGy% 1.0 1.8 5.0 670 388 A 61 ILE HG2% A 66 VAL H 1.0 1.8 5.0 671 389 A 67 ASN H A 61 ILE HG2% 1.0 1.8 5.0 672 390 A 63 LYS H A 62 SER HBx 1.0 1.8 4.5 673 390 A 62 SER HBy A 63 LYS H 1.0 1.8 4.5 674 391 A 64 LYS H A 62 SER HBx 1.0 1.8 5.0 675 391 A 62 SER HBy A 64 LYS H 1.0 1.8 5.0 676 392 A 62 SER HBy A 65 ARG HBx 1.0 1.8 5.0 677 392 A 65 ARG HBy A 62 SER HBx 1.0 1.8 5.0 678 392 A 65 ARG HBy A 62 SER HBy 1.0 1.8 5.0 679 392 A 62 SER HBx A 65 ARG HBx 1.0 1.8 5.0 680 393 A 62 SER HBx A 65 ARG HGx 1.0 1.8 5.0 681 393 A 62 SER HBy A 65 ARG HGx 1.0 1.8 5.0 682 393 A 65 ARG HGy A 62 SER HBx 1.0 1.8 5.0 683 393 A 62 SER HBy A 65 ARG HGy 1.0 1.8 5.0 684 394 A 65 ARG H A 62 SER HBx 1.0 1.8 5.0 685 394 A 62 SER HBy A 65 ARG H 1.0 1.8 5.0 686 395 A 63 LYS HA A 66 VAL HB 1.0 1.8 5.0 687 396 A 66 VAL HGx% A 63 LYS HA 1.0 1.8 5.0 688 397 A 63 LYS HA A 66 VAL HGy% 1.0 1.8 5.0 689 398 A 63 LYS HA A 66 VAL H 1.0 1.8 5.0 690 399 A 64 LYS H A 63 LYS HBx 1.0 1.8 4.5 691 399 A 64 LYS H A 63 LYS HBy 1.0 1.8 4.5 692 400 A 63 LYS H A 64 LYS H 1.0 1.8 5.0 693 401 A 66 VAL H A 64 LYS HBx 1.0 1.8 5.0 694 401 A 66 VAL H A 64 LYS HBy 1.0 1.8 5.0 695 402 A 66 VAL H A 65 ARG HBx 1.0 1.8 4.5 696 402 A 65 ARG HBy A 66 VAL H 1.0 1.8 4.5 697 403 A 66 VAL H A 65 ARG H 1.0 1.8 5.0 698 404 A 67 ASN H A 66 VAL HA 1.0 1.8 3.5 699 405 A 67 ASN H A 66 VAL HB 1.0 1.8 5.0 700 406 A 68 PHE HD% A 66 VAL HB 1.0 1.8 5.0 701 407 A 68 PHE HE% A 66 VAL HB 1.0 1.8 5.0 702 408 A 66 VAL HGx% A 67 ASN H 1.0 1.8 5.0 703 409 A 68 PHE HD% A 66 VAL HGx% 1.0 1.8 5.0 704 410 A 67 ASN H A 66 VAL HGy% 1.0 1.8 5.0 705 411 A 68 PHE HD% A 66 VAL HGy% 1.0 1.8 5.0 706 412 A 68 PHE HA A 66 VAL HGy% 1.0 1.8 5.0 707 412 A 66 VAL HGx% A 68 PHE HA 1.0 1.8 5.0 708 413 A 66 VAL HGx% A 68 PHE HBx 1.0 1.8 5.0 709 413 A 66 VAL HGy% A 68 PHE HBx 1.0 1.8 5.0 710 413 A 68 PHE HBy A 66 VAL HGy% 1.0 1.8 5.0 711 413 A 68 PHE HBy A 66 VAL HGx% 1.0 1.8 5.0 712 414 A 68 PHE HE% A 66 VAL HGy% 1.0 1.8 5.0 713 414 A 66 VAL HGx% A 68 PHE HE% 1.0 1.8 5.0 714 415 A 68 PHE H A 66 VAL HGy% 1.0 1.8 5.0 715 415 A 66 VAL HGx% A 68 PHE H 1.0 1.8 5.0 716 416 A 68 PHE HZ A 66 VAL HGy% 1.0 1.8 5.0 717 416 A 66 VAL HGx% A 68 PHE HZ 1.0 1.8 5.0 718 417 A 68 PHE H A 67 ASN HA 1.0 1.8 3.5 719 418 A 67 ASN HD2y A 69 VAL HGy% 1.0 1.8 5.0 720 418 A 67 ASN HD2x A 69 VAL HGy% 1.0 1.8 5.0 721 418 A 69 VAL HGx% A 67 ASN HD2y 1.0 1.8 5.0 722 418 A 69 VAL HGx% A 67 ASN HD2x 1.0 1.8 5.0 723 419 A 68 PHE HA A 69 VAL H 1.0 1.8 3.5 724 420 A 69 VAL HA A 70 ILE H 1.0 1.8 3.5 725 421 A 70 ILE H A 69 VAL HB 1.0 1.8 5.0 726 422 A 69 VAL HGx% A 70 ILE H 1.0 1.8 5.0 727 423 A 70 ILE H A 69 VAL HGy% 1.0 1.8 5.0 728 424 A 69 VAL HGx% A 71 SER HBx 1.0 1.8 5.0 729 424 A 69 VAL HGy% A 71 SER HBx 1.0 1.8 5.0 730 424 A 71 SER HBy A 69 VAL HGy% 1.0 1.8 5.0 731 424 A 69 VAL HGx% A 71 SER HBy 1.0 1.8 5.0 732 425 A 70 ILE HA A 71 SER H 1.0 1.8 3.5 733 426 A 71 SER H A 70 ILE HB 1.0 1.8 5.0 734 427 A 70 ILE HG2% A 71 SER H 1.0 1.8 5.0 735 428 A 71 SER HA A 72 ASP H 1.0 1.8 3.5 736 429 A 72 ASP H A 71 SER HBx 1.0 1.8 4.5 737 429 A 71 SER HBy A 72 ASP H 1.0 1.8 4.5 738 430 A 71 SER H A 72 ASP H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 15 ASN H A 18 THR O 1.0 1.7 2.3 2 2 A 18 THR O A 15 ASN N 1.0 2.7 3.3 3 3 A 20 HIS H A 13 GLU O 1.0 1.7 2.3 4 4 A 13 GLU O A 20 HIS N 1.0 2.7 3.3 5 5 A 46 ALA H A 49 ALA O 1.0 1.7 2.3 6 6 A 49 ALA O A 46 ALA N 1.0 2.7 3.3 7 7 A 19 ALA H A 28 PHE O 1.0 1.7 2.3 8 8 A 28 PHE O A 19 ALA N 1.0 2.7 3.3 9 9 A 28 PHE H A 19 ALA O 1.0 1.7 2.3 10 10 A 19 ALA O A 28 PHE N 1.0 2.7 3.3 11 11 A 31 GLN H A 69 VAL O 1.0 1.7 2.3 12 12 A 69 VAL O A 31 GLN N 1.0 2.7 3.3 13 13 A 33 LEU H A 67 ASN O 1.0 1.7 2.3 14 14 A 67 ASN O A 33 LEU N 1.0 2.7 3.3 15 15 A 67 ASN H A 33 LEU O 1.0 1.7 2.3 16 16 A 33 LEU O A 67 ASN N 1.0 2.7 3.3 17 17 A 69 VAL H A 31 GLN O 1.0 1.7 2.3 18 18 A 31 GLN O A 69 VAL N 1.0 2.7 3.3 19 19 A 44 LEU H A 51 ASP O 1.0 1.7 2.3 20 20 A 51 ASP O A 44 LEU N 1.0 2.7 3.3 21 21 A 51 ASP H A 44 LEU O 1.0 1.7 2.3 22 22 A 44 LEU O A 51 ASP N 1.0 2.7 3.3 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 11H 6898.236 2 1515N 2000.000 3 11H 10787.487 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 11H 6898.236 2 1313C 12066.365 3 11H 11001.100 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 11H 6898.236 2 1313C 12066.365 3 11H 11001.100 stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 11H 6898.236 2 1313C 4524.119 3 11H 11001.100 stop_ save_