data_nef_c19329_2ma6 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 28 HIS ND1 2 2 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 26 CYS SG 2 2 ZN ZN 1 31 CYS SG 2 1 ZN ZN 1 48 CYS SG 2 2 ZN ZN 1 45 CYS SG 2 2 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 14 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 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 PRO middle . false 5 A 5 THR middle . . 6 A 6 SER middle . . 7 A 7 GLU middle . . 8 A 8 GLU middle . . 9 A 9 ASP middle . . 10 A 10 LEU middle . . 11 A 11 CYS middle -HG . 12 A 12 PRO middle . false 13 A 13 ILE middle . . 14 A 14 CYS middle -HG . 15 A 15 TYR middle . . 16 A 16 ALA middle . . 17 A 17 HIS middle . . 18 A 18 PRO middle . false 19 A 19 ILE middle . . 20 A 20 SER middle . . 21 A 21 ALA middle . . 22 A 22 VAL middle . . 23 A 23 PHE middle . . 24 A 24 GLN middle . . 25 A 25 PRO middle . true 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 HIS middle -HD1 . 29 A 29 LYS middle . . 30 A 30 SER middle . . 31 A 31 CYS middle -HG . 32 A 32 LYS middle . . 33 A 33 ALA middle . . 34 A 34 CYS middle -HG . 35 A 35 ILE middle . . 36 A 36 ASN middle . . 37 A 37 GLN middle . . 38 A 38 HIS middle . . 39 A 39 LEU middle . . 40 A 40 MET middle . . 41 A 41 ASN middle . . 42 A 42 ASN middle . . 43 A 43 LYS middle . . 44 A 44 ASP middle . . 45 A 45 CYS middle -HG . 46 A 46 PHE middle . . 47 A 47 PHE middle . . 48 A 48 CYS middle -HG . 49 A 49 LYS middle . . 50 A 50 THR middle . . 51 A 51 THR middle . . 52 A 52 ILE middle . . 53 A 53 VAL middle . . 54 A 54 SER middle . . 55 A 55 VAL middle . . 56 A 56 GLU middle . . 57 A 57 ASP middle . . 58 A 58 TRP middle . . 59 A 59 GLU middle . . 60 A 60 LYS middle . . 61 A 61 GLY end . false 62 B 1 ZN . . . 63 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 2 HIS HA H 1 4.69 0.02 A 2 HIS HBx H 1 3.11 0.02 A 2 HIS HBy H 1 3.15 0.02 A 2 HIS HD2 H 1 7.09 0.02 A 2 HIS HE1 H 1 8.09 0.02 A 2 HIS C C 13 174.6 0.2 A 2 HIS CA C 13 56.1 0.2 A 2 HIS CB C 13 30.4 0.2 A 2 HIS CD2 C 13 119.9 0.2 A 2 HIS CE1 C 13 137.9 0.2 A 2 HIS ND1 N 15 206.7 0.2 A 2 HIS NE2 N 15 177.8 0.2 A 3 MET H H 1 8.42 0.02 A 3 MET HA H 1 4.78 0.02 A 3 MET HBx H 1 1.92 0.02 A 3 MET HBy H 1 2.04 0.02 A 3 MET HGx H 1 2.50 0.02 A 3 MET HGy H 1 2.59 0.02 A 3 MET CA C 13 53.1 0.2 A 3 MET CB C 13 32.1 0.2 A 3 MET CG C 13 32.1 0.2 A 3 MET N N 15 123.8 0.2 A 4 PRO HA H 1 4.50 0.02 A 4 PRO HBx H 1 1.96 0.02 A 4 PRO HBy H 1 2.31 0.02 A 4 PRO HDx H 1 3.69 0.02 A 4 PRO HDy H 1 3.79 0.02 A 4 PRO HGx H 1 1.99 0.02 A 4 PRO HGy H 1 2.02 0.02 A 4 PRO C C 13 177.0 0.2 A 4 PRO CA C 13 63.2 0.2 A 4 PRO CB C 13 32.1 0.2 A 4 PRO CD C 13 50.7 0.2 A 4 PRO CG C 13 27.4 0.2 A 5 THR H H 1 8.27 0.02 A 5 THR HA H 1 4.38 0.02 A 5 THR HB H 1 4.25 0.02 A 5 THR HG2% H 1 1.23 0.02 A 5 THR C C 13 174.6 0.2 A 5 THR CA C 13 61.6 0.2 A 5 THR CB C 13 69.9 0.2 A 5 THR CG2 C 13 21.7 0.2 A 5 THR N N 15 114.5 0.2 A 6 SER H H 1 8.47 0.02 A 6 SER HA H 1 4.50 0.02 A 6 SER HBx H 1 3.89 0.02 A 6 SER HBy H 1 3.94 0.02 A 6 SER C C 13 174.9 0.2 A 6 SER CA C 13 58.3 0.2 A 6 SER CB C 13 63.9 0.2 A 6 SER N N 15 118.2 0.2 A 7 GLU H H 1 8.61 0.02 A 7 GLU HA H 1 4.25 0.02 A 7 GLU HBx H 1 1.95 0.02 A 7 GLU HBy H 1 2.10 0.02 A 7 GLU HGx H 1 2.28 0.02 A 7 GLU HGy H 1 2.28 0.02 A 7 GLU C C 13 176.9 0.2 A 7 GLU CA C 13 57.4 0.2 A 7 GLU CB C 13 30.0 0.2 A 7 GLU CG C 13 36.3 0.2 A 7 GLU N N 15 123.1 0.2 A 8 GLU H H 1 8.39 0.02 A 8 GLU HA H 1 4.25 0.02 A 8 GLU HBx H 1 1.95 0.02 A 8 GLU HBy H 1 2.06 0.02 A 8 GLU HGx H 1 2.27 0.02 A 8 GLU HGy H 1 2.27 0.02 A 8 GLU C C 13 176.1 0.2 A 8 GLU CA C 13 57.2 0.2 A 8 GLU CB C 13 30.2 0.2 A 8 GLU CG C 13 36.3 0.2 A 8 GLU N N 15 120.2 0.2 A 9 ASP H H 1 8.31 0.02 A 9 ASP HA H 1 4.69 0.02 A 9 ASP HBx H 1 2.65 0.02 A 9 ASP HBy H 1 2.84 0.02 A 9 ASP C C 13 175.3 0.2 A 9 ASP CA C 13 54.2 0.2 A 9 ASP CB C 13 41.3 0.2 A 9 ASP N N 15 120.3 0.2 A 10 LEU H H 1 7.75 0.02 A 10 LEU HA H 1 4.25 0.02 A 10 LEU HBx H 1 1.14 0.02 A 10 LEU HBy H 1 1.64 0.02 A 10 LEU HD1% H 1 0.74 0.02 A 10 LEU HD2% H 1 0.60 0.02 A 10 LEU HG H 1 1.55 0.02 A 10 LEU C C 13 175.9 0.2 A 10 LEU CA C 13 54.4 0.2 A 10 LEU CB C 13 44.3 0.2 A 10 LEU CD1 C 13 24.8 0.2 A 10 LEU CD2 C 13 23.1 0.2 A 10 LEU CG C 13 26.5 0.2 A 10 LEU N N 15 120.8 0.2 A 11 CYS H H 1 8.66 0.02 A 11 CYS HA H 1 4.18 0.02 A 11 CYS HBx H 1 2.81 0.02 A 11 CYS HBy H 1 3.55 0.02 A 11 CYS CA C 13 57.3 0.2 A 11 CYS CB C 13 32.1 0.2 A 11 CYS N N 15 123.9 0.2 A 12 PRO HA H 1 4.06 0.02 A 12 PRO HBx H 1 2.13 0.02 A 12 PRO HBy H 1 2.24 0.02 A 12 PRO HDy H 1 3.92 0.02 A 12 PRO HDx H 1 3.87 0.02 A 12 PRO HGx H 1 1.97 0.02 A 12 PRO HGy H 1 2.09 0.02 A 12 PRO C C 13 174.9 0.2 A 12 PRO CA C 13 63.0 0.2 A 12 PRO CB C 13 31.3 0.2 A 12 PRO CD C 13 51.0 0.2 A 12 PRO CG C 13 27.5 0.2 A 13 ILE H H 1 8.74 0.02 A 13 ILE HA H 1 3.93 0.02 A 13 ILE HB H 1 2.32 0.02 A 13 ILE HD1% H 1 -0.05 0.02 A 13 ILE HG1x H 1 0.62 0.02 A 13 ILE HG1y H 1 0.69 0.02 A 13 ILE HG2% H 1 0.48 0.02 A 13 ILE C C 13 176.8 0.2 A 13 ILE CA C 13 62.2 0.2 A 13 ILE CB C 13 35.5 0.2 A 13 ILE CD1 C 13 10.1 0.2 A 13 ILE CG1 C 13 26.7 0.2 A 13 ILE CG2 C 13 17.3 0.2 A 13 ILE N N 15 121.3 0.2 A 14 CYS H H 1 7.74 0.02 A 14 CYS HA H 1 4.69 0.02 A 14 CYS HBx H 1 2.72 0.02 A 14 CYS HBy H 1 3.10 0.02 A 14 CYS C C 13 175.7 0.2 A 14 CYS CA C 13 58.0 0.2 A 14 CYS CB C 13 32.7 0.2 A 14 CYS N N 15 116.2 0.2 A 15 TYR H H 1 8.28 0.02 A 15 TYR HA H 1 4.18 0.02 A 15 TYR HBx H 1 2.92 0.02 A 15 TYR HBy H 1 3.37 0.02 A 15 TYR HDx H 1 6.93 0.02 A 15 TYR HDy H 1 6.93 0.02 A 15 TYR HEx H 1 6.78 0.02 A 15 TYR HEy H 1 6.78 0.02 A 15 TYR C C 13 175.3 0.2 A 15 TYR CA C 13 60.5 0.2 A 15 TYR CB C 13 36.4 0.2 A 15 TYR CDx C 13 133.1 0.2 A 15 TYR CDy C 13 133.1 0.2 A 15 TYR CEx C 13 118.3 0.2 A 15 TYR CEy C 13 118.3 0.2 A 15 TYR N N 15 121.7 0.2 A 16 ALA H H 1 8.82 0.02 A 16 ALA HA H 1 4.64 0.02 A 16 ALA HB% H 1 1.22 0.02 A 16 ALA C C 13 176.1 0.2 A 16 ALA CA C 13 52.5 0.2 A 16 ALA CB C 13 21.0 0.2 A 16 ALA N N 15 120.3 0.2 A 17 HIS H H 1 7.29 0.02 A 17 HIS HA H 1 5.22 0.02 A 17 HIS HBx H 1 3.15 0.02 A 17 HIS HBy H 1 3.39 0.02 A 17 HIS HD2 H 1 7.74 0.02 A 17 HIS HE1 H 1 8.39 0.02 A 17 HIS CA C 13 52.7 0.2 A 17 HIS CB C 13 32.0 0.2 A 17 HIS CD2 C 13 121.9 0.2 A 17 HIS CE1 C 13 136.7 0.2 A 17 HIS N N 15 116.7 0.2 A 17 HIS ND1 N 15 190.5 0.2 A 17 HIS NE2 N 15 178.4 0.2 A 18 PRO HA H 1 4.83 0.02 A 18 PRO HBx H 1 1.97 0.02 A 18 PRO HBy H 1 2.46 0.02 A 18 PRO HDx H 1 3.79 0.02 A 18 PRO HDy H 1 3.99 0.02 A 18 PRO HGx H 1 2.09 0.02 A 18 PRO HGy H 1 2.15 0.02 A 18 PRO C C 13 176.8 0.2 A 18 PRO CA C 13 62.3 0.2 A 18 PRO CB C 13 32.4 0.2 A 18 PRO CD C 13 50.8 0.2 A 18 PRO CG C 13 27.6 0.2 A 19 ILE H H 1 8.50 0.02 A 19 ILE HA H 1 3.27 0.02 A 19 ILE HB H 1 1.58 0.02 A 19 ILE HD1% H 1 0.60 0.02 A 19 ILE HG1x H 1 0.72 0.02 A 19 ILE HG1y H 1 1.50 0.02 A 19 ILE HG2% H 1 0.62 0.02 A 19 ILE C C 13 176.2 0.2 A 19 ILE CA C 13 64.1 0.2 A 19 ILE CB C 13 38.2 0.2 A 19 ILE CD1 C 13 13.3 0.2 A 19 ILE CG1 C 13 28.9 0.2 A 19 ILE CG2 C 13 19.3 0.2 A 19 ILE N N 15 120.8 0.2 A 20 SER H H 1 8.10 0.02 A 20 SER HA H 1 5.18 0.02 A 20 SER HBx H 1 3.95 0.02 A 20 SER HBy H 1 4.41 0.02 A 20 SER C C 13 172.6 0.2 A 20 SER CA C 13 58.1 0.2 A 20 SER CB C 13 64.3 0.2 A 20 SER N N 15 117.0 0.2 A 21 ALA H H 1 8.61 0.02 A 21 ALA HA H 1 5.54 0.02 A 21 ALA HB% H 1 1.34 0.02 A 21 ALA C C 13 174.0 0.2 A 21 ALA CA C 13 51.3 0.2 A 21 ALA CB C 13 22.9 0.2 A 21 ALA N N 15 128.1 0.2 A 22 VAL H H 1 9.04 0.02 A 22 VAL HA H 1 4.68 0.02 A 22 VAL HB H 1 1.66 0.02 A 22 VAL HG1% H 1 0.96 0.02 A 22 VAL HG2% H 1 0.75 0.02 A 22 VAL C C 13 173.6 0.2 A 22 VAL CA C 13 58.7 0.2 A 22 VAL CB C 13 35.0 0.2 A 22 VAL CG1 C 13 20.2 0.2 A 22 VAL CG2 C 13 21.2 0.2 A 22 VAL N N 15 118.4 0.2 A 23 PHE H H 1 8.66 0.02 A 23 PHE HA H 1 5.39 0.02 A 23 PHE HBx H 1 3.43 0.02 A 23 PHE HBy H 1 3.49 0.02 A 23 PHE HDx H 1 7.22 0.02 A 23 PHE HDy H 1 7.22 0.02 A 23 PHE HEx H 1 7.37 0.02 A 23 PHE HEy H 1 7.37 0.02 A 23 PHE HZ H 1 7.24 0.02 A 23 PHE C C 13 176.3 0.2 A 23 PHE CA C 13 52.9 0.2 A 23 PHE CB C 13 38.6 0.2 A 23 PHE CDx C 13 131.9 0.2 A 23 PHE CDy C 13 131.9 0.2 A 23 PHE CEx C 13 130.6 0.2 A 23 PHE CEy C 13 130.6 0.2 A 23 PHE CZ C 13 129.1 0.2 A 23 PHE N N 15 128.3 0.2 A 24 GLN H H 1 9.24 0.02 A 24 GLN HA H 1 5.05 0.02 A 24 GLN HBx H 1 2.05 0.02 A 24 GLN HBy H 1 2.05 0.02 A 24 GLN HE21 H 1 7.01 0.02 A 24 GLN HE22 H 1 6.67 0.02 A 24 GLN HGx H 1 2.21 0.02 A 24 GLN HGy H 1 2.38 0.02 A 24 GLN CA C 13 52.4 0.2 A 24 GLN CB C 13 28.5 0.2 A 24 GLN CD C 13 179.7 0.2 A 24 GLN CG C 13 31.9 0.2 A 24 GLN N N 15 120.6 0.2 A 24 GLN NE2 N 15 110.2 0.2 A 25 PRO HA H 1 4.90 0.02 A 25 PRO HBx H 1 2.24 0.02 A 25 PRO HBy H 1 2.37 0.02 A 25 PRO HDx H 1 3.52 0.02 A 25 PRO HDy H 1 4.14 0.02 A 25 PRO HGx H 1 1.84 0.02 A 25 PRO HGy H 1 2.09 0.02 A 25 PRO C C 13 178.8 0.2 A 25 PRO CA C 13 64.3 0.2 A 25 PRO CB C 13 35.3 0.2 A 25 PRO CD C 13 50.5 0.2 A 25 PRO CG C 13 24.9 0.2 A 26 CYS H H 1 8.28 0.02 A 26 CYS HA H 1 4.41 0.02 A 26 CYS HBx H 1 2.79 0.02 A 26 CYS HBy H 1 3.04 0.02 A 26 CYS C C 13 176.4 0.2 A 26 CYS CA C 13 61.9 0.2 A 26 CYS CB C 13 31.4 0.2 A 26 CYS N N 15 121.3 0.2 A 27 GLY H H 1 8.73 0.02 A 27 GLY HAx H 1 3.65 0.02 A 27 GLY HAy H 1 3.92 0.02 A 27 GLY C C 13 174.8 0.2 A 27 GLY CA C 13 46.1 0.2 A 27 GLY N N 15 111.6 0.2 A 28 HIS H H 1 8.19 0.02 A 28 HIS HA H 1 4.35 0.02 A 28 HIS HBx H 1 3.23 0.02 A 28 HIS HBy H 1 3.59 0.02 A 28 HIS HD2 H 1 7.07 0.02 A 28 HIS HE1 H 1 7.91 0.02 A 28 HIS C C 13 171.1 0.2 A 28 HIS CA C 13 60.1 0.2 A 28 HIS CB C 13 31.6 0.2 A 28 HIS CD2 C 13 118.9 0.2 A 28 HIS CE1 C 13 138.2 0.2 A 28 HIS N N 15 120.7 0.2 A 28 HIS ND1 N 15 217.3 0.2 A 28 HIS NE2 N 15 170.1 0.2 A 29 LYS H H 1 7.36 0.02 A 29 LYS HA H 1 4.76 0.02 A 29 LYS HBx H 1 1.19 0.02 A 29 LYS HBy H 1 1.69 0.02 A 29 LYS HDx H 1 0.63 0.02 A 29 LYS HDy H 1 0.74 0.02 A 29 LYS HEx H 1 2.14 0.02 A 29 LYS HEy H 1 2.14 0.02 A 29 LYS HGx H 1 0.90 0.02 A 29 LYS HGy H 1 1.06 0.02 A 29 LYS C C 13 175.5 0.2 A 29 LYS CA C 13 55.3 0.2 A 29 LYS CB C 13 37.6 0.2 A 29 LYS CD C 13 28.8 0.2 A 29 LYS CE C 13 41.5 0.2 A 29 LYS CG C 13 24.5 0.2 A 29 LYS N N 15 113.2 0.2 A 30 SER H H 1 8.15 0.02 A 30 SER HA H 1 4.93 0.02 A 30 SER HBx H 1 4.20 0.02 A 30 SER HBy H 1 4.84 0.02 A 30 SER HG H 1 4.66 0.02 A 30 SER C C 13 174.9 0.2 A 30 SER CA C 13 58.9 0.2 A 30 SER CB C 13 67.5 0.2 A 30 SER N N 15 110.4 0.2 A 31 CYS H H 1 10.21 0.02 A 31 CYS HA H 1 5.41 0.02 A 31 CYS HBx H 1 2.97 0.02 A 31 CYS HBy H 1 3.48 0.02 A 31 CYS C C 13 177.5 0.2 A 31 CYS CA C 13 59.1 0.2 A 31 CYS CB C 13 31.9 0.2 A 31 CYS N N 15 121.0 0.2 A 32 LYS H H 1 7.95 0.02 A 32 LYS HA H 1 3.89 0.02 A 32 LYS HBx H 1 1.83 0.02 A 32 LYS HBy H 1 1.83 0.02 A 32 LYS HDx H 1 1.70 0.02 A 32 LYS HDy H 1 1.70 0.02 A 32 LYS HEx H 1 3.05 0.02 A 32 LYS HEy H 1 3.05 0.02 A 32 LYS HGx H 1 1.46 0.02 A 32 LYS HGy H 1 1.56 0.02 A 32 LYS C C 13 176.9 0.2 A 32 LYS CA C 13 59.1 0.2 A 32 LYS CB C 13 32.5 0.2 A 32 LYS CD C 13 29.0 0.2 A 32 LYS CE C 13 42.0 0.2 A 32 LYS CG C 13 25.4 0.2 A 32 LYS N N 15 122.8 0.2 A 33 ALA H H 1 8.17 0.02 A 33 ALA HA H 1 4.13 0.02 A 33 ALA HB% H 1 1.49 0.02 A 33 ALA C C 13 181.5 0.2 A 33 ALA CA C 13 55.9 0.2 A 33 ALA CB C 13 18.1 0.2 A 33 ALA N N 15 122.1 0.2 A 34 CYS H H 1 9.17 0.02 A 34 CYS HA H 1 3.97 0.02 A 34 CYS HBx H 1 2.76 0.02 A 34 CYS HBy H 1 2.92 0.02 A 34 CYS C C 13 179.7 0.2 A 34 CYS CA C 13 66.2 0.2 A 34 CYS CB C 13 29.0 0.2 A 34 CYS N N 15 120.2 0.2 A 35 ILE H H 1 7.39 0.02 A 35 ILE HA H 1 4.46 0.02 A 35 ILE HB H 1 2.15 0.02 A 35 ILE HD1% H 1 0.06 0.02 A 35 ILE HG1x H 1 0.80 0.02 A 35 ILE HG1y H 1 1.01 0.02 A 35 ILE HG2% H 1 1.10 0.02 A 35 ILE C C 13 175.9 0.2 A 35 ILE CA C 13 60.2 0.2 A 35 ILE CB C 13 36.5 0.2 A 35 ILE CD1 C 13 13.2 0.2 A 35 ILE CG1 C 13 29.2 0.2 A 35 ILE CG2 C 13 19.3 0.2 A 35 ILE N N 15 118.1 0.2 A 36 ASN H H 1 8.41 0.02 A 36 ASN HA H 1 4.39 0.02 A 36 ASN HBx H 1 2.70 0.02 A 36 ASN HBy H 1 2.91 0.02 A 36 ASN HD21 H 1 7.44 0.02 A 36 ASN HD22 H 1 6.77 0.02 A 36 ASN C C 13 178.4 0.2 A 36 ASN CA C 13 56.2 0.2 A 36 ASN CB C 13 37.5 0.2 A 36 ASN CG C 13 175.7 0.2 A 36 ASN N N 15 122.9 0.2 A 36 ASN ND2 N 15 109.9 0.2 A 37 GLN H H 1 7.84 0.02 A 37 GLN HA H 1 4.12 0.02 A 37 GLN HBx H 1 2.18 0.02 A 37 GLN HBy H 1 2.22 0.02 A 37 GLN HE21 H 1 7.45 0.02 A 37 GLN HE22 H 1 6.86 0.02 A 37 GLN HGx H 1 2.46 0.02 A 37 GLN HGy H 1 2.46 0.02 A 37 GLN C C 13 178.9 0.2 A 37 GLN CA C 13 58.6 0.2 A 37 GLN CB C 13 28.5 0.2 A 37 GLN CD C 13 180.0 0.2 A 37 GLN CG C 13 33.8 0.2 A 37 GLN N N 15 117.6 0.2 A 37 GLN NE2 N 15 111.8 0.2 A 38 HIS H H 1 8.02 0.02 A 38 HIS HA H 1 4.39 0.02 A 38 HIS HBx H 1 3.18 0.02 A 38 HIS HBy H 1 3.25 0.02 A 38 HIS HD2 H 1 6.37 0.02 A 38 HIS HE1 H 1 7.81 0.02 A 38 HIS C C 13 177.9 0.2 A 38 HIS CA C 13 60.2 0.2 A 38 HIS CB C 13 32.2 0.2 A 38 HIS CD2 C 13 118.0 0.2 A 38 HIS CE1 C 13 138.4 0.2 A 38 HIS N N 15 121.5 0.2 A 38 HIS NE2 N 15 168.2 0.2 A 39 LEU H H 1 8.33 0.02 A 39 LEU HA H 1 4.68 0.02 A 39 LEU HBx H 1 1.59 0.02 A 39 LEU HBy H 1 1.76 0.02 A 39 LEU HD1% H 1 0.72 0.02 A 39 LEU HD2% H 1 0.66 0.02 A 39 LEU HG H 1 1.73 0.02 A 39 LEU C C 13 177.7 0.2 A 39 LEU CA C 13 55.4 0.2 A 39 LEU CB C 13 41.1 0.2 A 39 LEU CD1 C 13 26.3 0.2 A 39 LEU CD2 C 13 22.0 0.2 A 39 LEU CG C 13 26.5 0.2 A 39 LEU N N 15 116.1 0.2 A 40 MET H H 1 7.31 0.02 A 40 MET HA H 1 4.20 0.02 A 40 MET HBx H 1 2.06 0.02 A 40 MET HBy H 1 2.14 0.02 A 40 MET HE% H 1 2.09 0.02 A 40 MET HGx H 1 2.65 0.02 A 40 MET HGy H 1 2.91 0.02 A 40 MET C C 13 177.5 0.2 A 40 MET CA C 13 58.4 0.2 A 40 MET CB C 13 32.2 0.2 A 40 MET CG C 13 31.9 0.2 A 40 MET N N 15 117.4 0.2 A 41 ASN H H 1 7.27 0.02 A 41 ASN HA H 1 4.96 0.02 A 41 ASN HBx H 1 2.55 0.02 A 41 ASN HBy H 1 2.80 0.02 A 41 ASN HD21 H 1 7.73 0.02 A 41 ASN HD22 H 1 6.92 0.02 A 41 ASN C C 13 173.3 0.2 A 41 ASN CA C 13 53.0 0.2 A 41 ASN CB C 13 41.4 0.2 A 41 ASN CG C 13 177.2 0.2 A 41 ASN N N 15 111.6 0.2 A 41 ASN ND2 N 15 114.3 0.2 A 42 ASN H H 1 7.63 0.02 A 42 ASN HA H 1 4.79 0.02 A 42 ASN HBx H 1 1.55 0.02 A 42 ASN HBy H 1 2.21 0.02 A 42 ASN HD21 H 1 7.37 0.02 A 42 ASN HD22 H 1 7.02 0.02 A 42 ASN C C 13 173.2 0.2 A 42 ASN CA C 13 52.4 0.2 A 42 ASN CB C 13 41.9 0.2 A 42 ASN CG C 13 176.8 0.2 A 42 ASN N N 15 117.8 0.2 A 42 ASN ND2 N 15 117.3 0.2 A 43 LYS H H 1 8.51 0.02 A 43 LYS HA H 1 4.49 0.02 A 43 LYS HBx H 1 1.68 0.02 A 43 LYS HBy H 1 1.95 0.02 A 43 LYS HDx H 1 1.60 0.02 A 43 LYS HDy H 1 1.66 0.02 A 43 LYS HEx H 1 2.99 0.02 A 43 LYS HEy H 1 2.99 0.02 A 43 LYS HGx H 1 1.35 0.02 A 43 LYS HGy H 1 1.35 0.02 A 43 LYS C C 13 175.3 0.2 A 43 LYS CA C 13 55.0 0.2 A 43 LYS CB C 13 34.0 0.2 A 43 LYS CD C 13 29.0 0.2 A 43 LYS CE C 13 42.1 0.2 A 43 LYS CG C 13 24.5 0.2 A 43 LYS N N 15 115.4 0.2 A 44 ASP H H 1 8.18 0.02 A 44 ASP HA H 1 4.87 0.02 A 44 ASP HBx H 1 2.28 0.02 A 44 ASP HBy H 1 2.36 0.02 A 44 ASP C C 13 174.0 0.2 A 44 ASP CA C 13 51.7 0.2 A 44 ASP CB C 13 42.9 0.2 A 44 ASP N N 15 118.1 0.2 A 45 CYS H H 1 8.34 0.02 A 45 CYS HA H 1 3.63 0.02 A 45 CYS HBx H 1 3.14 0.02 A 45 CYS HBy H 1 3.31 0.02 A 45 CYS C C 13 177.1 0.2 A 45 CYS CA C 13 60.6 0.2 A 45 CYS CB C 13 31.8 0.2 A 45 CYS N N 15 120.3 0.2 A 46 PHE H H 1 6.05 0.02 A 46 PHE HA H 1 3.92 0.02 A 46 PHE HBx H 1 1.98 0.02 A 46 PHE HBy H 1 2.11 0.02 A 46 PHE HDx H 1 6.25 0.02 A 46 PHE HDy H 1 6.25 0.02 A 46 PHE HEx H 1 7.08 0.02 A 46 PHE HEy H 1 7.08 0.02 A 46 PHE HZ H 1 7.10 0.02 A 46 PHE C C 13 175.6 0.2 A 46 PHE CA C 13 58.5 0.2 A 46 PHE CB C 13 39.4 0.2 A 46 PHE CDx C 13 131.3 0.2 A 46 PHE CDy C 13 131.3 0.2 A 46 PHE CEx C 13 131.4 0.2 A 46 PHE CEy C 13 131.4 0.2 A 46 PHE CZ C 13 129.5 0.2 A 46 PHE N N 15 125.4 0.2 A 47 PHE H H 1 9.69 0.02 A 47 PHE HA H 1 4.49 0.02 A 47 PHE HBx H 1 2.22 0.02 A 47 PHE HBy H 1 2.85 0.02 A 47 PHE HDx H 1 7.29 0.02 A 47 PHE HDy H 1 7.29 0.02 A 47 PHE HEx H 1 7.47 0.02 A 47 PHE HEy H 1 7.47 0.02 A 47 PHE HZ H 1 7.14 0.02 A 47 PHE C C 13 177.1 0.2 A 47 PHE CA C 13 59.4 0.2 A 47 PHE CB C 13 39.3 0.2 A 47 PHE CDx C 13 132.3 0.2 A 47 PHE CDy C 13 132.3 0.2 A 47 PHE CEx C 13 131.5 0.2 A 47 PHE CEy C 13 131.5 0.2 A 47 PHE CZ C 13 130.1 0.2 A 47 PHE N N 15 119.4 0.2 A 48 CYS H H 1 8.38 0.02 A 48 CYS HA H 1 5.09 0.02 A 48 CYS HBx H 1 2.84 0.02 A 48 CYS HBy H 1 3.59 0.02 A 48 CYS C C 13 175.6 0.2 A 48 CYS CA C 13 58.1 0.2 A 48 CYS CB C 13 32.7 0.2 A 48 CYS N N 15 117.3 0.2 A 49 LYS H H 1 8.01 0.02 A 49 LYS HA H 1 4.14 0.02 A 49 LYS HBx H 1 2.14 0.02 A 49 LYS HBy H 1 2.14 0.02 A 49 LYS HDx H 1 1.63 0.02 A 49 LYS HDy H 1 1.63 0.02 A 49 LYS HEx H 1 2.95 0.02 A 49 LYS HEy H 1 2.95 0.02 A 49 LYS HGx H 1 1.29 0.02 A 49 LYS HGy H 1 1.39 0.02 A 49 LYS C C 13 174.9 0.2 A 49 LYS CA C 13 58.1 0.2 A 49 LYS CB C 13 28.9 0.2 A 49 LYS CD C 13 28.5 0.2 A 49 LYS CE C 13 42.1 0.2 A 49 LYS CG C 13 25.1 0.2 A 49 LYS N N 15 117.1 0.2 A 50 THR H H 1 8.08 0.02 A 50 THR HA H 1 4.38 0.02 A 50 THR HB H 1 4.06 0.02 A 50 THR HG1 H 1 5.56 0.02 A 50 THR HG2% H 1 1.41 0.02 A 50 THR C C 13 174.9 0.2 A 50 THR CA C 13 63.7 0.2 A 50 THR CB C 13 68.8 0.2 A 50 THR CG2 C 13 21.3 0.2 A 50 THR N N 15 118.4 0.2 A 51 THR H H 1 8.85 0.02 A 51 THR HA H 1 4.09 0.02 A 51 THR HB H 1 3.97 0.02 A 51 THR HG2% H 1 1.14 0.02 A 51 THR C C 13 174.3 0.2 A 51 THR CA C 13 65.2 0.2 A 51 THR CB C 13 68.9 0.2 A 51 THR CG2 C 13 22.3 0.2 A 51 THR N N 15 126.0 0.2 A 52 ILE H H 1 8.34 0.02 A 52 ILE HA H 1 4.24 0.02 A 52 ILE HB H 1 1.54 0.02 A 52 ILE HD1% H 1 0.27 0.02 A 52 ILE HG1x H 1 1.02 0.02 A 52 ILE HG1y H 1 1.67 0.02 A 52 ILE HG2% H 1 0.81 0.02 A 52 ILE C C 13 176.2 0.2 A 52 ILE CA C 13 61.7 0.2 A 52 ILE CB C 13 38.9 0.2 A 52 ILE CD1 C 13 14.3 0.2 A 52 ILE CG1 C 13 28.9 0.2 A 52 ILE CG2 C 13 17.8 0.2 A 52 ILE N N 15 129.1 0.2 A 53 VAL H H 1 9.42 0.02 A 53 VAL HA H 1 4.11 0.02 A 53 VAL HB H 1 2.00 0.02 A 53 VAL HG1% H 1 0.95 0.02 A 53 VAL HG2% H 1 0.98 0.02 A 53 VAL C C 13 176.4 0.2 A 53 VAL CA C 13 63.9 0.2 A 53 VAL CB C 13 32.5 0.2 A 53 VAL CG1 C 13 21.0 0.2 A 53 VAL CG2 C 13 21.6 0.2 A 53 VAL N N 15 128.9 0.2 A 54 SER H H 1 7.92 0.02 A 54 SER HA H 1 4.65 0.02 A 54 SER HBx H 1 3.85 0.02 A 54 SER HBy H 1 3.89 0.02 A 54 SER C C 13 171.2 0.2 A 54 SER CA C 13 57.6 0.2 A 54 SER CB C 13 65.2 0.2 A 54 SER N N 15 113.1 0.2 A 55 VAL H H 1 8.43 0.02 A 55 VAL HA H 1 4.79 0.02 A 55 VAL HB H 1 1.98 0.02 A 55 VAL HG1% H 1 1.04 0.02 A 55 VAL HG2% H 1 0.89 0.02 A 55 VAL C C 13 175.6 0.2 A 55 VAL CA C 13 61.9 0.2 A 55 VAL CB C 13 34.0 0.2 A 55 VAL CG1 C 13 22.7 0.2 A 55 VAL CG2 C 13 22.0 0.2 A 55 VAL N N 15 121.2 0.2 A 56 GLU H H 1 9.31 0.02 A 56 GLU HA H 1 4.84 0.02 A 56 GLU HBx H 1 1.97 0.02 A 56 GLU HBy H 1 2.19 0.02 A 56 GLU HGx H 1 2.28 0.02 A 56 GLU HGy H 1 2.28 0.02 A 56 GLU C C 13 175.9 0.2 A 56 GLU CA C 13 53.8 0.2 A 56 GLU CB C 13 32.5 0.2 A 56 GLU CG C 13 35.9 0.2 A 56 GLU N N 15 126.9 0.2 A 57 ASP H H 1 8.72 0.02 A 57 ASP HA H 1 4.85 0.02 A 57 ASP HBx H 1 2.60 0.02 A 57 ASP HBy H 1 2.75 0.02 A 57 ASP C C 13 175.7 0.2 A 57 ASP CA C 13 55.3 0.2 A 57 ASP CB C 13 41.3 0.2 A 57 ASP N N 15 121.9 0.2 A 58 TRP H H 1 7.91 0.02 A 58 TRP HA H 1 4.64 0.02 A 58 TRP HBx H 1 2.77 0.02 A 58 TRP HBy H 1 2.77 0.02 A 58 TRP HD1 H 1 7.06 0.02 A 58 TRP HE1 H 1 10.13 0.02 A 58 TRP HE3 H 1 7.29 0.02 A 58 TRP HH2 H 1 7.16 0.02 A 58 TRP HZ2 H 1 7.41 0.02 A 58 TRP HZ3 H 1 7.07 0.02 A 58 TRP C C 13 174.3 0.2 A 58 TRP CA C 13 57.2 0.2 A 58 TRP CB C 13 31.4 0.2 A 58 TRP CD1 C 13 126.7 0.2 A 58 TRP CE3 C 13 120.7 0.2 A 58 TRP CH2 C 13 124.3 0.2 A 58 TRP CZ2 C 13 114.1 0.2 A 58 TRP CZ3 C 13 121.9 0.2 A 58 TRP N N 15 123.4 0.2 A 58 TRP NE1 N 15 129.3 0.2 A 59 GLU H H 1 7.62 0.02 A 59 GLU HA H 1 4.11 0.02 A 59 GLU HBx H 1 1.69 0.02 A 59 GLU HBy H 1 1.82 0.02 A 59 GLU HGx H 1 2.00 0.02 A 59 GLU HGy H 1 2.00 0.02 A 59 GLU C C 13 174.2 0.2 A 59 GLU CA C 13 55.0 0.2 A 59 GLU CB C 13 31.6 0.2 A 59 GLU CG C 13 35.5 0.2 A 59 GLU N N 15 125.3 0.2 A 60 LYS H H 1 7.86 0.02 A 60 LYS HA H 1 3.71 0.02 A 60 LYS HBx H 1 1.62 0.02 A 60 LYS HBy H 1 1.69 0.02 A 60 LYS HDx H 1 1.69 0.02 A 60 LYS HDy H 1 1.69 0.02 A 60 LYS HEx H 1 2.99 0.02 A 60 LYS HEy H 1 2.99 0.02 A 60 LYS HGx H 1 1.36 0.02 A 60 LYS HGy H 1 1.36 0.02 A 60 LYS C C 13 176.0 0.2 A 60 LYS CA C 13 56.7 0.2 A 60 LYS CB C 13 32.8 0.2 A 60 LYS CD C 13 29.3 0.2 A 60 LYS CE C 13 42.1 0.2 A 60 LYS CG C 13 24.5 0.2 A 60 LYS N N 15 122.7 0.2 A 61 GLY H H 1 7.90 0.02 A 61 GLY HAx H 1 3.70 0.02 A 61 GLY HAy H 1 3.70 0.02 A 61 GLY CA C 13 46.0 0.2 A 61 GLY N N 15 116.7 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 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 3 MET HBy A 4 PRO HDx 1.0 1.8 5.0 2 1 A 3 MET HBx A 4 PRO HDx 1.0 1.8 5.0 3 1 A 4 PRO HDy A 3 MET HBx 1.0 1.8 5.0 4 1 A 3 MET HBy A 4 PRO HDy 1.0 1.8 5.0 5 2 A 4 PRO HDy A 3 MET HA 1.0 1.8 3.5 6 3 A 3 MET HA A 4 PRO HDx 1.0 1.8 3.5 7 4 A 3 MET HA A 4 PRO HGy 1.0 1.8 5.0 8 4 A 3 MET HA A 4 PRO HGx 1.0 1.8 5.0 9 5 A 3 MET HA A 4 PRO HGy 1.0 1.8 6.0 10 6 A 3 MET HA A 4 PRO HGx 1.0 1.8 6.0 11 7 A 4 PRO HA A 5 THR H 1.0 1.8 3.5 12 8 A 5 THR H A 5 THR HG2% 1.0 1.8 5.0 13 9 A 5 THR HA A 6 SER H 1.0 1.8 3.5 14 10 A 6 SER H A 5 THR HB 1.0 1.8 5.0 15 11 A 5 THR HG2% A 6 SER H 1.0 1.8 6.0 16 12 A 5 THR H A 6 SER H 1.0 1.8 5.0 17 13 A 6 SER HA A 7 GLU H 1.0 1.8 3.5 18 14 A 7 GLU H A 6 SER HBy 1.0 1.8 5.0 19 15 A 7 GLU H A 6 SER HBx 1.0 1.8 5.0 20 16 A 7 GLU H A 6 SER HBy 1.0 1.8 5.0 21 16 A 7 GLU H A 6 SER HBx 1.0 1.8 5.0 22 17 A 6 SER H A 7 GLU H 1.0 1.8 5.0 23 18 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.5 24 18 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.5 25 19 A 7 GLU H A 7 GLU HGx 1.0 1.8 5.0 26 19 A 7 GLU H A 7 GLU HGy 1.0 1.8 5.0 27 20 A 7 GLU HA A 8 GLU H 1.0 1.8 3.5 28 21 A 8 GLU H A 7 GLU HGx 1.0 1.8 5.0 29 21 A 7 GLU HGy A 8 GLU H 1.0 1.8 5.0 30 22 A 7 GLU H A 8 GLU H 1.0 1.8 5.0 31 23 A 7 GLU HA A 10 LEU HD1% 1.0 1.8 6.0 32 24 A 8 GLU H A 8 GLU HGx 1.0 1.8 5.0 33 24 A 8 GLU H A 8 GLU HGy 1.0 1.8 5.0 34 25 A 8 GLU HA A 9 ASP H 1.0 1.8 3.5 35 26 A 9 ASP H A 8 GLU HBy 1.0 1.8 5.0 36 27 A 9 ASP H A 8 GLU HBx 1.0 1.8 5.0 37 28 A 10 LEU HD1% A 8 GLU HA 1.0 1.8 6.0 38 29 A 8 GLU HA A 10 LEU HG 1.0 1.8 5.0 39 30 A 9 ASP H A 9 ASP HBy 1.0 1.8 3.5 40 30 A 9 ASP H A 9 ASP HBx 1.0 1.8 3.5 41 31 A 9 ASP HA A 10 LEU H 1.0 1.8 3.5 42 32 A 10 LEU H A 9 ASP HBy 1.0 1.8 5.0 43 33 A 9 ASP HBx A 10 LEU H 1.0 1.8 5.0 44 34 A 10 LEU H A 9 ASP HBy 1.0 1.8 5.0 45 34 A 9 ASP HBx A 10 LEU H 1.0 1.8 5.0 46 35 A 9 ASP H A 10 LEU H 1.0 1.8 3.5 47 36 A 9 ASP HA A 19 ILE HD1% 1.0 1.8 5.0 48 37 A 19 ILE HD1% A 9 ASP HBy 1.0 1.8 5.0 49 38 A 9 ASP HBx A 19 ILE HD1% 1.0 1.8 5.0 50 39 A 19 ILE HD1% A 9 ASP HBy 1.0 1.8 5.0 51 39 A 9 ASP HBx A 19 ILE HD1% 1.0 1.8 5.0 52 40 A 19 ILE H A 9 ASP HBy 1.0 1.8 6.0 53 40 A 9 ASP HBx A 19 ILE H 1.0 1.8 6.0 54 41 A 10 LEU H A 10 LEU HBx 1.0 1.8 3.5 55 41 A 10 LEU H A 10 LEU HBy 1.0 1.8 3.5 56 42 A 10 LEU HD1% A 10 LEU HA 1.0 1.8 5.0 57 43 A 10 LEU HD1% A 10 LEU HBx 1.0 1.8 3.5 58 43 A 10 LEU HD1% A 10 LEU HBy 1.0 1.8 3.5 59 44 A 10 LEU HD1% A 10 LEU H 1.0 1.8 5.0 60 45 A 10 LEU HA A 10 LEU HD2% 1.0 1.8 3.5 61 46 A 10 LEU HD2% A 10 LEU HBx 1.0 1.8 3.5 62 46 A 10 LEU HBy A 10 LEU HD2% 1.0 1.8 3.5 63 47 A 10 LEU H A 10 LEU HD2% 1.0 1.8 5.0 64 48 A 10 LEU HG A 10 LEU H 1.0 1.8 5.0 65 49 A 10 LEU HD2% A 11 CYS HA 1.0 1.8 6.0 66 50 A 10 LEU HA A 11 CYS H 1.0 1.8 3.5 67 51 A 11 CYS H A 10 LEU HBx 1.0 1.8 5.0 68 51 A 10 LEU HBy A 11 CYS H 1.0 1.8 5.0 69 52 A 10 LEU HD1% A 11 CYS H 1.0 1.8 5.0 70 53 A 10 LEU HD2% A 11 CYS H 1.0 1.8 5.0 71 54 A 15 TYR HA A 10 LEU HBx 1.0 1.8 5.0 72 54 A 10 LEU HBy A 15 TYR HA 1.0 1.8 5.0 73 55 A 10 LEU HD1% A 15 TYR HA 1.0 1.8 5.0 74 56 A 10 LEU HD2% A 15 TYR HA 1.0 1.8 5.0 75 57 A 10 LEU HG A 15 TYR HA 1.0 1.8 6.0 76 58 A 10 LEU HD1% A 15 TYR HBx 1.0 1.8 5.0 77 58 A 10 LEU HD1% A 15 TYR HBy 1.0 1.8 5.0 78 59 A 15 TYR HD% A 10 LEU HBx 1.0 1.8 5.0 79 59 A 10 LEU HBy A 15 TYR HD% 1.0 1.8 5.0 80 60 A 10 LEU HD2% A 16 ALA HA 1.0 1.8 5.0 81 61 A 10 LEU HD1% A 16 ALA H 1.0 1.8 5.0 82 62 A 10 LEU HD1% A 17 HIS H 1.0 1.8 5.0 83 63 A 10 LEU HD2% A 17 HIS H 1.0 1.8 5.0 84 64 A 10 LEU HA A 18 PRO HA 1.0 1.8 3.5 85 65 A 10 LEU HD2% A 18 PRO HA 1.0 1.8 5.0 86 66 A 10 LEU HD2% A 18 PRO HBy 1.0 1.8 5.0 87 66 A 10 LEU HD2% A 18 PRO HBx 1.0 1.8 5.0 88 67 A 10 LEU HD2% A 18 PRO HBy 1.0 1.8 5.0 89 68 A 10 LEU HD2% A 18 PRO HBx 1.0 1.8 5.0 90 69 A 10 LEU HA A 19 ILE HG1y 1.0 1.8 5.0 91 69 A 10 LEU HA A 19 ILE HG1x 1.0 1.8 5.0 92 70 A 19 ILE H A 10 LEU HA 1.0 1.8 5.0 93 71 A 11 CYS H A 11 CYS HBy 1.0 1.8 3.5 94 72 A 11 CYS H A 11 CYS HBx 1.0 1.8 3.5 95 73 A 11 CYS HA A 12 PRO HDx 1.0 1.8 3.5 96 74 A 11 CYS HA A 12 PRO HDy 1.0 1.8 3.5 97 75 A 11 CYS HA A 13 ILE H 1.0 1.8 5.0 98 76 A 14 CYS H A 11 CYS HBy 1.0 1.8 5.0 99 76 A 11 CYS HBx A 14 CYS H 1.0 1.8 5.0 100 77 A 15 TYR HA A 11 CYS HBy 1.0 1.8 5.0 101 77 A 15 TYR HA A 11 CYS HBx 1.0 1.8 5.0 102 78 A 11 CYS H A 15 TYR HA 1.0 1.8 5.0 103 79 A 15 TYR H A 11 CYS HBy 1.0 1.8 5.0 104 79 A 11 CYS HBx A 15 TYR H 1.0 1.8 5.0 105 80 A 16 ALA H A 11 CYS HBy 1.0 1.8 5.0 106 80 A 16 ALA H A 11 CYS HBx 1.0 1.8 5.0 107 81 A 17 HIS H A 11 CYS HBy 1.0 1.8 5.0 108 82 A 17 HIS H A 11 CYS HBx 1.0 1.8 5.0 109 83 A 17 HIS H A 11 CYS HBy 1.0 1.8 5.0 110 83 A 17 HIS H A 11 CYS HBx 1.0 1.8 5.0 111 84 A 11 CYS H A 17 HIS H 1.0 1.8 5.0 112 85 A 11 CYS H A 18 PRO HA 1.0 1.8 5.0 113 86 A 19 ILE HD1% A 11 CYS HA 1.0 1.8 5.0 114 87 A 11 CYS HA A 19 ILE HG1y 1.0 1.8 5.0 115 88 A 11 CYS HA A 19 ILE HG1x 1.0 1.8 5.0 116 89 A 11 CYS HA A 19 ILE HG2% 1.0 1.8 6.0 117 90 A 11 CYS HA A 30 SER HA 1.0 1.8 5.0 118 91 A 11 CYS HBy A 31 CYS HBy 1.0 1.8 3.5 119 91 A 31 CYS HBx A 11 CYS HBy 1.0 1.8 3.5 120 91 A 11 CYS HBx A 31 CYS HBx 1.0 1.8 3.5 121 91 A 11 CYS HBx A 31 CYS HBy 1.0 1.8 3.5 122 92 A 11 CYS HA A 31 CYS H 1.0 1.8 5.0 123 93 A 31 CYS H A 11 CYS HBy 1.0 1.8 5.0 124 93 A 11 CYS HBx A 31 CYS H 1.0 1.8 5.0 125 94 A 13 ILE HA A 12 PRO HBx 1.0 1.8 6.0 126 94 A 12 PRO HBy A 13 ILE HA 1.0 1.8 6.0 127 95 A 13 ILE HD1% A 12 PRO HGy 1.0 1.8 5.0 128 95 A 12 PRO HGx A 13 ILE HD1% 1.0 1.8 5.0 129 96 A 12 PRO HDx A 13 ILE HG1y 1.0 1.8 5.0 130 96 A 12 PRO HDy A 13 ILE HG1y 1.0 1.8 5.0 131 96 A 13 ILE HG1x A 12 PRO HDy 1.0 1.8 5.0 132 96 A 12 PRO HDx A 13 ILE HG1x 1.0 1.8 5.0 133 97 A 13 ILE H A 12 PRO HDy 1.0 1.8 5.0 134 97 A 13 ILE H A 12 PRO HDx 1.0 1.8 5.0 135 98 A 12 PRO HA A 15 TYR HE% 1.0 1.8 5.0 136 99 A 15 TYR H A 12 PRO HA 1.0 1.8 5.0 137 100 A 19 ILE HD1% A 12 PRO HDy 1.0 1.8 5.0 138 100 A 19 ILE HD1% A 12 PRO HDx 1.0 1.8 5.0 139 101 A 12 PRO HDy A 19 ILE HG1y 1.0 1.8 5.0 140 101 A 12 PRO HDx A 19 ILE HG1y 1.0 1.8 5.0 141 101 A 19 ILE HG1x A 12 PRO HDy 1.0 1.8 5.0 142 101 A 19 ILE HG1x A 12 PRO HDx 1.0 1.8 5.0 143 102 A 30 SER HA A 12 PRO HDy 1.0 1.8 5.0 144 102 A 30 SER HA A 12 PRO HDx 1.0 1.8 5.0 145 103 A 47 PHE HE% A 12 PRO HBx 1.0 1.8 5.0 146 103 A 12 PRO HBy A 47 PHE HE% 1.0 1.8 5.0 147 104 A 47 PHE HE% A 12 PRO HGy 1.0 1.8 5.0 148 105 A 12 PRO HGx A 47 PHE HE% 1.0 1.8 5.0 149 106 A 47 PHE HE% A 12 PRO HGy 1.0 1.8 5.0 150 106 A 12 PRO HGx A 47 PHE HE% 1.0 1.8 5.0 151 107 A 47 PHE HZ A 12 PRO HBx 1.0 1.8 5.0 152 107 A 12 PRO HBy A 47 PHE HZ 1.0 1.8 5.0 153 108 A 47 PHE HZ A 12 PRO HDy 1.0 1.8 6.0 154 108 A 12 PRO HDx A 47 PHE HZ 1.0 1.8 6.0 155 109 A 47 PHE HZ A 12 PRO HGy 1.0 1.8 5.0 156 109 A 12 PRO HGx A 47 PHE HZ 1.0 1.8 5.0 157 110 A 13 ILE H A 13 ILE HB 1.0 1.8 3.5 158 111 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 159 112 A 13 ILE HD1% A 13 ILE HG2% 1.0 1.8 3.5 160 113 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.0 161 114 A 13 ILE HG2% A 13 ILE HG1y 1.0 1.8 3.5 162 114 A 13 ILE HG1x A 13 ILE HG2% 1.0 1.8 3.5 163 115 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.5 164 115 A 13 ILE H A 13 ILE HG1x 1.0 1.8 3.5 165 116 A 13 ILE HG2% A 13 ILE HG1y 1.0 1.8 5.0 166 117 A 13 ILE H A 13 ILE HG1y 1.0 1.8 5.0 167 118 A 13 ILE HG1x A 13 ILE HG2% 1.0 1.8 5.0 168 119 A 13 ILE H A 13 ILE HG1x 1.0 1.8 5.0 169 120 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 3.5 170 121 A 13 ILE HG2% A 14 CYS HBy 1.0 1.8 5.0 171 121 A 13 ILE HG2% A 14 CYS HBx 1.0 1.8 5.0 172 122 A 13 ILE HG2% A 14 CYS HBy 1.0 1.8 5.0 173 123 A 13 ILE HG2% A 14 CYS HBx 1.0 1.8 5.0 174 124 A 14 CYS H A 13 ILE HB 1.0 1.8 3.5 175 125 A 14 CYS H A 13 ILE HD1% 1.0 1.8 5.0 176 126 A 14 CYS H A 13 ILE HG1y 1.0 1.8 5.0 177 126 A 14 CYS H A 13 ILE HG1x 1.0 1.8 5.0 178 127 A 14 CYS H A 13 ILE HG2% 1.0 1.8 5.0 179 128 A 13 ILE H A 14 CYS H 1.0 1.8 3.5 180 129 A 15 TYR H A 13 ILE HB 1.0 1.8 5.0 181 130 A 13 ILE H A 15 TYR H 1.0 1.8 5.0 182 131 A 13 ILE HD1% A 30 SER HBy 1.0 1.8 5.0 183 131 A 13 ILE HD1% A 30 SER HBx 1.0 1.8 5.0 184 132 A 13 ILE HD1% A 30 SER HBy 1.0 1.8 5.0 185 133 A 13 ILE HD1% A 30 SER HBx 1.0 1.8 5.0 186 134 A 13 ILE HD1% A 34 CYS HBy 1.0 1.8 5.0 187 134 A 13 ILE HD1% A 34 CYS HBx 1.0 1.8 5.0 188 135 A 13 ILE HG2% A 34 CYS HBy 1.0 1.8 5.0 189 135 A 13 ILE HG2% A 34 CYS HBx 1.0 1.8 5.0 190 136 A 13 ILE HD1% A 34 CYS HBy 1.0 1.8 5.0 191 137 A 13 ILE HG2% A 34 CYS HBy 1.0 1.8 5.0 192 138 A 13 ILE HD1% A 34 CYS HBx 1.0 1.8 5.0 193 139 A 13 ILE HG2% A 34 CYS HBx 1.0 1.8 5.0 194 140 A 13 ILE HD1% A 46 PHE HBy 1.0 1.8 5.0 195 141 A 13 ILE HD1% A 46 PHE HBx 1.0 1.8 5.0 196 142 A 13 ILE HD1% A 46 PHE HD% 1.0 1.8 5.0 197 143 A 13 ILE HD1% A 46 PHE HE% 1.0 1.8 5.0 198 144 A 13 ILE HG2% A 46 PHE HE% 1.0 1.8 5.0 199 145 A 13 ILE HD1% A 46 PHE HZ 1.0 1.8 6.0 200 146 A 13 ILE HG2% A 46 PHE HZ 1.0 1.8 6.0 201 147 A 13 ILE HD1% A 47 PHE HE% 1.0 1.8 5.0 202 148 A 47 PHE HE% A 13 ILE HG1y 1.0 1.8 5.0 203 148 A 13 ILE HG1x A 47 PHE HE% 1.0 1.8 5.0 204 149 A 13 ILE HD1% A 47 PHE HZ 1.0 1.8 5.0 205 150 A 47 PHE HZ A 13 ILE HG1y 1.0 1.8 5.0 206 151 A 13 ILE HG1x A 47 PHE HZ 1.0 1.8 5.0 207 152 A 47 PHE HZ A 13 ILE HG1y 1.0 1.8 5.0 208 152 A 13 ILE HG1x A 47 PHE HZ 1.0 1.8 5.0 209 153 A 14 CYS H A 15 TYR H 1.0 1.8 3.5 210 154 A 16 ALA HB% A 14 CYS HBy 1.0 1.8 3.5 211 154 A 14 CYS HBx A 16 ALA HB% 1.0 1.8 3.5 212 155 A 16 ALA H A 14 CYS HBy 1.0 1.8 5.0 213 155 A 16 ALA H A 14 CYS HBx 1.0 1.8 5.0 214 156 A 16 ALA H A 14 CYS H 1.0 1.8 5.0 215 157 A 15 TYR HA A 15 TYR HD% 1.0 1.8 5.0 216 158 A 15 TYR HD% A 15 TYR H 1.0 1.8 5.0 217 159 A 16 ALA H A 15 TYR H 1.0 1.8 5.0 218 160 A 17 HIS H A 15 TYR H 1.0 1.8 5.0 219 161 A 16 ALA H A 16 ALA HB% 1.0 1.8 3.5 220 162 A 16 ALA HB% A 17 HIS HA 1.0 1.8 5.0 221 163 A 16 ALA HB% A 17 HIS HD2 1.0 1.8 5.0 222 164 A 17 HIS H A 16 ALA HB% 1.0 1.8 5.0 223 165 A 16 ALA H A 17 HIS H 1.0 1.8 3.5 224 166 A 17 HIS H A 17 HIS HBx 1.0 1.8 3.5 225 166 A 17 HIS H A 17 HIS HBy 1.0 1.8 3.5 226 167 A 17 HIS HA A 17 HIS HD2 1.0 1.8 5.0 227 168 A 17 HIS HA A 18 PRO HDx 1.0 1.8 3.5 228 168 A 17 HIS HA A 18 PRO HDy 1.0 1.8 3.5 229 169 A 17 HIS HBy A 18 PRO HDx 1.0 1.8 3.5 230 169 A 17 HIS HBx A 18 PRO HDx 1.0 1.8 3.5 231 169 A 18 PRO HDy A 17 HIS HBx 1.0 1.8 3.5 232 169 A 17 HIS HBy A 18 PRO HDy 1.0 1.8 3.5 233 170 A 17 HIS HA A 18 PRO HDy 1.0 1.8 3.5 234 171 A 17 HIS HA A 18 PRO HDx 1.0 1.8 3.5 235 172 A 17 HIS HBx A 31 CYS HBy 1.0 1.8 5.0 236 172 A 17 HIS HBy A 31 CYS HBy 1.0 1.8 5.0 237 172 A 31 CYS HBx A 17 HIS HBx 1.0 1.8 5.0 238 172 A 31 CYS HBx A 17 HIS HBy 1.0 1.8 5.0 239 173 A 19 ILE H A 18 PRO HA 1.0 1.8 3.5 240 174 A 19 ILE H A 18 PRO HBy 1.0 1.8 5.0 241 175 A 19 ILE H A 18 PRO HBx 1.0 1.8 5.0 242 176 A 19 ILE H A 19 ILE HB 1.0 1.8 3.5 243 177 A 19 ILE HD1% A 19 ILE HA 1.0 1.8 5.0 244 178 A 19 ILE HD1% A 19 ILE H 1.0 1.8 5.0 245 179 A 19 ILE H A 19 ILE HG1y 1.0 1.8 3.5 246 179 A 19 ILE H A 19 ILE HG1x 1.0 1.8 3.5 247 180 A 19 ILE H A 19 ILE HG1y 1.0 1.8 5.0 248 181 A 19 ILE H A 19 ILE HG1x 1.0 1.8 5.0 249 182 A 19 ILE HG2% A 20 SER HA 1.0 1.8 5.0 250 183 A 19 ILE HA A 20 SER H 1.0 1.8 3.5 251 184 A 19 ILE HB A 20 SER H 1.0 1.8 5.0 252 185 A 19 ILE HG2% A 20 SER H 1.0 1.8 5.0 253 186 A 19 ILE HA A 21 ALA H 1.0 1.8 5.0 254 187 A 19 ILE HG2% A 21 ALA H 1.0 1.8 3.5 255 188 A 19 ILE HG2% A 22 VAL HA 1.0 1.8 5.0 256 189 A 19 ILE HG2% A 29 LYS HA 1.0 1.8 6.0 257 190 A 19 ILE HD1% A 29 LYS HBy 1.0 1.8 5.0 258 190 A 19 ILE HD1% A 29 LYS HBx 1.0 1.8 5.0 259 191 A 19 ILE HG1x A 29 LYS HBy 1.0 1.8 5.0 260 191 A 19 ILE HG1y A 29 LYS HBy 1.0 1.8 5.0 261 191 A 29 LYS HBx A 19 ILE HG1y 1.0 1.8 5.0 262 191 A 19 ILE HG1x A 29 LYS HBx 1.0 1.8 5.0 263 192 A 19 ILE HG2% A 29 LYS HBy 1.0 1.8 3.5 264 192 A 19 ILE HG2% A 29 LYS HBx 1.0 1.8 3.5 265 193 A 19 ILE HD1% A 29 LYS HBy 1.0 1.8 5.0 266 194 A 19 ILE HD1% A 29 LYS HBx 1.0 1.8 5.0 267 195 A 19 ILE HD1% A 29 LYS HDx 1.0 1.8 3.5 268 195 A 19 ILE HD1% A 29 LYS HDy 1.0 1.8 3.5 269 196 A 19 ILE HD1% A 29 LYS HEx 1.0 1.8 5.0 270 196 A 19 ILE HD1% A 29 LYS HEy 1.0 1.8 5.0 271 197 A 19 ILE HG2% A 29 LYS HEx 1.0 1.8 5.0 272 197 A 19 ILE HG2% A 29 LYS HEy 1.0 1.8 5.0 273 198 A 19 ILE HD1% A 29 LYS HGy 1.0 1.8 5.0 274 198 A 19 ILE HD1% A 29 LYS HGx 1.0 1.8 5.0 275 199 A 19 ILE HD1% A 29 LYS H 1.0 1.8 6.0 276 200 A 19 ILE HG2% A 29 LYS H 1.0 1.8 6.0 277 201 A 19 ILE HD1% A 30 SER HA 1.0 1.8 5.0 278 202 A 30 SER HA A 19 ILE HG1y 1.0 1.8 5.0 279 202 A 19 ILE HG1x A 30 SER HA 1.0 1.8 5.0 280 203 A 19 ILE HG2% A 30 SER HA 1.0 1.8 5.0 281 204 A 19 ILE HG2% A 30 SER HBy 1.0 1.8 6.0 282 204 A 19 ILE HG2% A 30 SER HBx 1.0 1.8 6.0 283 205 A 19 ILE HA A 30 SER H 1.0 1.8 5.0 284 206 A 19 ILE HG2% A 30 SER H 1.0 1.8 5.0 285 207 A 19 ILE HA A 31 CYS HA 1.0 1.8 5.0 286 208 A 31 CYS H A 19 ILE HA 1.0 1.8 5.0 287 209 A 19 ILE HG2% A 58 TRP HBx 1.0 1.8 5.0 288 209 A 19 ILE HG2% A 58 TRP HBy 1.0 1.8 5.0 289 210 A 19 ILE HG2% A 58 TRP HE3 1.0 1.8 5.0 290 211 A 19 ILE HD1% A 58 TRP HZ2 1.0 1.8 6.0 291 212 A 19 ILE HB A 58 TRP HZ3 1.0 1.8 5.0 292 213 A 19 ILE HG2% A 58 TRP HZ3 1.0 1.8 5.0 293 214 A 20 SER H A 21 ALA HB% 1.0 1.8 5.0 294 215 A 20 SER H A 21 ALA H 1.0 1.8 3.5 295 216 A 20 SER H A 31 CYS HA 1.0 1.8 3.5 296 217 A 20 SER H A 31 CYS HBy 1.0 1.8 5.0 297 218 A 31 CYS HBx A 20 SER H 1.0 1.8 5.0 298 219 A 20 SER HBy A 32 LYS HBx 1.0 1.8 6.0 299 219 A 20 SER HBx A 32 LYS HBx 1.0 1.8 6.0 300 219 A 32 LYS HBy A 20 SER HBy 1.0 1.8 6.0 301 219 A 20 SER HBx A 32 LYS HBy 1.0 1.8 6.0 302 220 A 20 SER HBx A 32 LYS HGy 1.0 1.8 5.0 303 220 A 20 SER HBy A 32 LYS HGy 1.0 1.8 5.0 304 220 A 32 LYS HGx A 20 SER HBy 1.0 1.8 5.0 305 220 A 20 SER HBx A 32 LYS HGx 1.0 1.8 5.0 306 221 A 32 LYS H A 20 SER HBy 1.0 1.8 6.0 307 222 A 20 SER HBx A 32 LYS H 1.0 1.8 6.0 308 223 A 32 LYS H A 20 SER HBy 1.0 1.8 5.0 309 223 A 20 SER HBx A 32 LYS H 1.0 1.8 5.0 310 224 A 20 SER HA A 58 TRP HBx 1.0 1.8 5.0 311 224 A 20 SER HA A 58 TRP HBy 1.0 1.8 5.0 312 225 A 20 SER HA A 58 TRP HE3 1.0 1.8 5.0 313 226 A 20 SER HA A 58 TRP H 1.0 1.8 5.0 314 227 A 58 TRP H A 20 SER HBy 1.0 1.8 6.0 315 227 A 20 SER HBx A 58 TRP H 1.0 1.8 6.0 316 228 A 21 ALA H A 21 ALA HB% 1.0 1.8 3.5 317 229 A 21 ALA HA A 22 VAL HG1% 1.0 1.8 5.0 318 230 A 21 ALA HA A 22 VAL H 1.0 1.8 3.5 319 231 A 21 ALA HB% A 22 VAL H 1.0 1.8 5.0 320 232 A 21 ALA HB% A 23 PHE HD% 1.0 1.8 5.0 321 233 A 21 ALA HB% A 23 PHE HE% 1.0 1.8 5.0 322 234 A 21 ALA HB% A 23 PHE HZ 1.0 1.8 5.0 323 235 A 30 SER H A 21 ALA HB% 1.0 1.8 5.0 324 236 A 21 ALA H A 30 SER H 1.0 1.8 5.0 325 237 A 21 ALA H A 31 CYS HA 1.0 1.8 5.0 326 238 A 21 ALA HB% A 32 LYS HA 1.0 1.8 3.5 327 239 A 21 ALA HB% A 32 LYS HBx 1.0 1.8 5.0 328 239 A 21 ALA HB% A 32 LYS HBy 1.0 1.8 5.0 329 240 A 21 ALA HB% A 32 LYS HEx 1.0 1.8 6.0 330 240 A 21 ALA HB% A 32 LYS HEy 1.0 1.8 6.0 331 241 A 21 ALA HB% A 32 LYS H 1.0 1.8 5.0 332 242 A 21 ALA HB% A 35 ILE HG2% 1.0 1.8 3.5 333 243 A 21 ALA HB% A 55 VAL HG1% 1.0 1.8 3.5 334 244 A 21 ALA HB% A 55 VAL HG2% 1.0 1.8 5.0 335 245 A 21 ALA HA A 57 ASP HA 1.0 1.8 5.0 336 246 A 21 ALA HB% A 57 ASP HA 1.0 1.8 5.0 337 247 A 21 ALA HA A 58 TRP HBx 1.0 1.8 5.0 338 247 A 58 TRP HBy A 21 ALA HA 1.0 1.8 5.0 339 248 A 21 ALA H A 58 TRP HBx 1.0 1.8 5.0 340 248 A 21 ALA H A 58 TRP HBy 1.0 1.8 5.0 341 249 A 58 TRP H A 21 ALA HA 1.0 1.8 5.0 342 250 A 22 VAL HG1% A 22 VAL H 1.0 1.8 3.5 343 251 A 22 VAL H A 22 VAL HG2% 1.0 1.8 5.0 344 252 A 22 VAL HA A 23 PHE H 1.0 1.8 3.5 345 253 A 23 PHE H A 22 VAL HB 1.0 1.8 5.0 346 254 A 22 VAL HG1% A 23 PHE H 1.0 1.8 5.0 347 255 A 22 VAL HG2% A 23 PHE H 1.0 1.8 3.5 348 256 A 22 VAL HG1% A 24 GLN HBx 1.0 1.8 5.0 349 256 A 22 VAL HG1% A 24 GLN HBy 1.0 1.8 5.0 350 257 A 22 VAL HG1% A 24 GLN HE21 1.0 1.8 5.0 351 258 A 22 VAL HG2% A 24 GLN HE21 1.0 1.8 5.0 352 259 A 22 VAL HG1% A 24 GLN HE22 1.0 1.8 5.0 353 260 A 22 VAL HG1% A 27 GLY HAx 1.0 1.8 5.0 354 260 A 22 VAL HG1% A 27 GLY HAy 1.0 1.8 5.0 355 261 A 22 VAL HG2% A 27 GLY HAx 1.0 1.8 5.0 356 261 A 22 VAL HG2% A 27 GLY HAy 1.0 1.8 5.0 357 262 A 22 VAL HG2% A 27 GLY H 1.0 1.8 5.0 358 263 A 22 VAL HG2% A 28 HIS HA 1.0 1.8 5.0 359 264 A 22 VAL HG2% A 28 HIS H 1.0 1.8 5.0 360 265 A 29 LYS HA A 22 VAL HG2% 1.0 1.8 5.0 361 266 A 22 VAL HA A 29 LYS HBy 1.0 1.8 5.0 362 266 A 22 VAL HA A 29 LYS HBx 1.0 1.8 5.0 363 267 A 22 VAL HG2% A 29 LYS HBy 1.0 1.8 5.0 364 267 A 29 LYS HBx A 22 VAL HG2% 1.0 1.8 5.0 365 268 A 22 VAL HA A 29 LYS HDx 1.0 1.8 5.0 366 268 A 22 VAL HA A 29 LYS HDy 1.0 1.8 5.0 367 269 A 22 VAL HB A 29 LYS HDx 1.0 1.8 5.0 368 269 A 29 LYS HDy A 22 VAL HB 1.0 1.8 5.0 369 270 A 22 VAL HG2% A 29 LYS HDx 1.0 1.8 3.5 370 270 A 29 LYS HDy A 22 VAL HG2% 1.0 1.8 3.5 371 271 A 22 VAL HG1% A 29 LYS HEx 1.0 1.8 5.0 372 271 A 29 LYS HEy A 22 VAL HG1% 1.0 1.8 5.0 373 272 A 22 VAL HG2% A 29 LYS HEx 1.0 1.8 5.0 374 272 A 29 LYS HEy A 22 VAL HG2% 1.0 1.8 5.0 375 273 A 22 VAL HA A 29 LYS HGy 1.0 1.8 5.0 376 273 A 22 VAL HA A 29 LYS HGx 1.0 1.8 5.0 377 274 A 22 VAL HB A 29 LYS HGy 1.0 1.8 5.0 378 274 A 29 LYS HGx A 22 VAL HB 1.0 1.8 5.0 379 275 A 22 VAL HG2% A 29 LYS HGy 1.0 1.8 3.5 380 275 A 29 LYS HGx A 22 VAL HG2% 1.0 1.8 3.5 381 276 A 22 VAL HB A 29 LYS HGy 1.0 1.8 5.0 382 277 A 29 LYS HGx A 22 VAL HB 1.0 1.8 5.0 383 278 A 29 LYS H A 22 VAL HG2% 1.0 1.8 6.0 384 279 A 22 VAL HA A 30 SER H 1.0 1.8 5.0 385 280 A 22 VAL H A 55 VAL HG1% 1.0 1.8 5.0 386 281 A 22 VAL HB A 56 GLU HBx 1.0 1.8 5.0 387 281 A 22 VAL HB A 56 GLU HBy 1.0 1.8 5.0 388 282 A 22 VAL HG1% A 56 GLU HBx 1.0 1.8 3.5 389 282 A 22 VAL HG1% A 56 GLU HBy 1.0 1.8 3.5 390 283 A 22 VAL H A 56 GLU HBx 1.0 1.8 5.0 391 283 A 22 VAL H A 56 GLU HBy 1.0 1.8 5.0 392 284 A 22 VAL HG1% A 56 GLU HBy 1.0 1.8 5.0 393 285 A 22 VAL HG1% A 56 GLU HBx 1.0 1.8 5.0 394 286 A 22 VAL HG1% A 56 GLU HGx 1.0 1.8 5.0 395 286 A 22 VAL HG1% A 56 GLU HGy 1.0 1.8 5.0 396 287 A 22 VAL HG1% A 56 GLU H 1.0 1.8 5.0 397 288 A 22 VAL H A 56 GLU H 1.0 1.8 5.0 398 289 A 22 VAL H A 57 ASP HA 1.0 1.8 5.0 399 290 A 22 VAL HG1% A 58 TRP HA 1.0 1.8 5.0 400 291 A 22 VAL HB A 58 TRP HBx 1.0 1.8 5.0 401 291 A 58 TRP HBy A 22 VAL HB 1.0 1.8 5.0 402 292 A 22 VAL HG1% A 58 TRP HBx 1.0 1.8 5.0 403 292 A 58 TRP HBy A 22 VAL HG1% 1.0 1.8 5.0 404 293 A 22 VAL HG2% A 58 TRP HBx 1.0 1.8 5.0 405 293 A 58 TRP HBy A 22 VAL HG2% 1.0 1.8 5.0 406 294 A 22 VAL H A 58 TRP HBx 1.0 1.8 5.0 407 294 A 58 TRP HBy A 22 VAL H 1.0 1.8 5.0 408 295 A 22 VAL HB A 58 TRP HD1 1.0 1.8 5.0 409 296 A 22 VAL HG1% A 58 TRP HD1 1.0 1.8 5.0 410 297 A 22 VAL HG2% A 58 TRP HD1 1.0 1.8 5.0 411 298 A 58 TRP HE3 A 22 VAL HB 1.0 1.8 6.0 412 299 A 58 TRP H A 22 VAL H 1.0 1.8 5.0 413 300 A 23 PHE H A 23 PHE HBy 1.0 1.8 3.5 414 300 A 23 PHE H A 23 PHE HBx 1.0 1.8 3.5 415 301 A 23 PHE HD% A 23 PHE HA 1.0 1.8 3.5 416 302 A 23 PHE HD% A 23 PHE H 1.0 1.8 5.0 417 303 A 23 PHE HA A 24 GLN H 1.0 1.8 3.5 418 304 A 24 GLN H A 23 PHE HBy 1.0 1.8 5.0 419 305 A 23 PHE HBx A 24 GLN H 1.0 1.8 5.0 420 306 A 24 GLN H A 23 PHE HBy 1.0 1.8 5.0 421 306 A 23 PHE HBx A 24 GLN H 1.0 1.8 5.0 422 307 A 23 PHE HD% A 24 GLN H 1.0 1.8 5.0 423 308 A 27 GLY H A 23 PHE HBy 1.0 1.8 5.0 424 308 A 27 GLY H A 23 PHE HBx 1.0 1.8 5.0 425 309 A 23 PHE HD% A 28 HIS HBy 1.0 1.8 3.5 426 309 A 23 PHE HD% A 28 HIS HBx 1.0 1.8 3.5 427 310 A 23 PHE HE% A 28 HIS HBy 1.0 1.8 5.0 428 310 A 23 PHE HE% A 28 HIS HBx 1.0 1.8 5.0 429 311 A 28 HIS H A 23 PHE HBy 1.0 1.8 5.0 430 311 A 28 HIS H A 23 PHE HBx 1.0 1.8 5.0 431 312 A 23 PHE HD% A 28 HIS H 1.0 1.8 6.0 432 313 A 23 PHE H A 28 HIS H 1.0 1.8 6.0 433 314 A 29 LYS HA A 23 PHE H 1.0 1.8 5.0 434 315 A 23 PHE H A 29 LYS HGy 1.0 1.8 5.0 435 315 A 29 LYS HGx A 23 PHE H 1.0 1.8 5.0 436 316 A 23 PHE HE% A 30 SER HBy 1.0 1.8 5.0 437 316 A 30 SER HBx A 23 PHE HE% 1.0 1.8 5.0 438 317 A 23 PHE HZ A 30 SER HBy 1.0 1.8 5.0 439 317 A 30 SER HBx A 23 PHE HZ 1.0 1.8 5.0 440 318 A 30 SER H A 23 PHE HD% 1.0 1.8 6.0 441 319 A 30 SER H A 23 PHE HE% 1.0 1.8 5.0 442 320 A 30 SER H A 23 PHE HZ 1.0 1.8 6.0 443 321 A 23 PHE HE% A 35 ILE HB 1.0 1.8 5.0 444 322 A 23 PHE HZ A 35 ILE HB 1.0 1.8 5.0 445 323 A 23 PHE HD% A 35 ILE HD1% 1.0 1.8 5.0 446 324 A 23 PHE HE% A 35 ILE HD1% 1.0 1.8 5.0 447 325 A 23 PHE HZ A 35 ILE HD1% 1.0 1.8 5.0 448 326 A 23 PHE HD% A 35 ILE HG1y 1.0 1.8 6.0 449 326 A 23 PHE HD% A 35 ILE HG1x 1.0 1.8 6.0 450 327 A 23 PHE HE% A 35 ILE HG1y 1.0 1.8 5.0 451 327 A 23 PHE HE% A 35 ILE HG1x 1.0 1.8 5.0 452 328 A 23 PHE HZ A 35 ILE HG1y 1.0 1.8 6.0 453 328 A 23 PHE HZ A 35 ILE HG1x 1.0 1.8 6.0 454 329 A 23 PHE HE% A 35 ILE HG2% 1.0 1.8 5.0 455 330 A 23 PHE HZ A 35 ILE HG2% 1.0 1.8 5.0 456 331 A 23 PHE HD% A 45 CYS HBy 1.0 1.8 6.0 457 331 A 23 PHE HD% A 45 CYS HBx 1.0 1.8 6.0 458 332 A 46 PHE HD% A 23 PHE HE% 1.0 1.8 5.0 459 333 A 23 PHE HE% A 46 PHE H 1.0 1.8 6.0 460 334 A 52 ILE HA A 23 PHE HBy 1.0 1.8 5.0 461 334 A 23 PHE HBx A 52 ILE HA 1.0 1.8 5.0 462 335 A 52 ILE HD1% A 23 PHE HBy 1.0 1.8 5.0 463 336 A 23 PHE HBx A 52 ILE HD1% 1.0 1.8 5.0 464 337 A 23 PHE HD% A 52 ILE HD1% 1.0 1.8 5.0 465 338 A 23 PHE HE% A 52 ILE HD1% 1.0 1.8 5.0 466 339 A 23 PHE HBx A 52 ILE HG1y 1.0 1.8 5.0 467 339 A 23 PHE HBy A 52 ILE HG1y 1.0 1.8 5.0 468 339 A 52 ILE HG1x A 23 PHE HBy 1.0 1.8 5.0 469 339 A 23 PHE HBx A 52 ILE HG1x 1.0 1.8 5.0 470 340 A 23 PHE HA A 52 ILE HG2% 1.0 1.8 5.0 471 341 A 52 ILE HG2% A 23 PHE HBy 1.0 1.8 5.0 472 342 A 23 PHE HBx A 52 ILE HG2% 1.0 1.8 5.0 473 343 A 52 ILE HG2% A 23 PHE HBy 1.0 1.8 5.0 474 343 A 23 PHE HBx A 52 ILE HG2% 1.0 1.8 5.0 475 344 A 23 PHE HD% A 52 ILE HG2% 1.0 1.8 5.0 476 345 A 23 PHE HA A 55 VAL HA 1.0 1.8 5.0 477 346 A 23 PHE HD% A 55 VAL HA 1.0 1.8 5.0 478 347 A 55 VAL HG1% A 23 PHE HA 1.0 1.8 5.0 479 348 A 23 PHE HD% A 55 VAL HG1% 1.0 1.8 3.5 480 349 A 23 PHE HE% A 55 VAL HG1% 1.0 1.8 5.0 481 350 A 55 VAL HG2% A 23 PHE HA 1.0 1.8 5.0 482 351 A 23 PHE HD% A 55 VAL HG2% 1.0 1.8 3.5 483 352 A 56 GLU H A 23 PHE HA 1.0 1.8 5.0 484 353 A 24 GLN HE21 A 24 GLN HBx 1.0 1.8 6.0 485 353 A 24 GLN HBy A 24 GLN HE21 1.0 1.8 6.0 486 354 A 24 GLN H A 24 GLN HGx 1.0 1.8 5.0 487 354 A 24 GLN H A 24 GLN HGy 1.0 1.8 5.0 488 355 A 24 GLN H A 24 GLN HGy 1.0 1.8 5.0 489 356 A 24 GLN H A 24 GLN HGx 1.0 1.8 5.0 490 357 A 24 GLN HA A 25 PRO HA 1.0 1.8 3.5 491 358 A 25 PRO HA A 24 GLN HBx 1.0 1.8 5.0 492 358 A 24 GLN HBy A 25 PRO HA 1.0 1.8 5.0 493 359 A 25 PRO HA A 24 GLN HGx 1.0 1.8 5.0 494 359 A 24 GLN HGy A 25 PRO HA 1.0 1.8 5.0 495 360 A 24 GLN HGy A 25 PRO HBx 1.0 1.8 5.0 496 360 A 24 GLN HGx A 25 PRO HBx 1.0 1.8 5.0 497 360 A 25 PRO HBy A 24 GLN HGx 1.0 1.8 5.0 498 360 A 24 GLN HGy A 25 PRO HBy 1.0 1.8 5.0 499 361 A 24 GLN HGy A 25 PRO HDx 1.0 1.8 5.0 500 361 A 24 GLN HGx A 25 PRO HDx 1.0 1.8 5.0 501 361 A 25 PRO HDy A 24 GLN HGx 1.0 1.8 5.0 502 361 A 24 GLN HGy A 25 PRO HDy 1.0 1.8 5.0 503 362 A 24 GLN HGx A 25 PRO HGx 1.0 1.8 5.0 504 362 A 24 GLN HGy A 25 PRO HGx 1.0 1.8 5.0 505 362 A 25 PRO HGy A 24 GLN HGx 1.0 1.8 5.0 506 362 A 24 GLN HGy A 25 PRO HGy 1.0 1.8 5.0 507 363 A 24 GLN HA A 26 CYS H 1.0 1.8 5.0 508 364 A 27 GLY H A 24 GLN HA 1.0 1.8 5.0 509 365 A 24 GLN H A 52 ILE HG2% 1.0 1.8 5.0 510 366 A 54 SER H A 24 GLN HBx 1.0 1.8 6.0 511 366 A 24 GLN HBy A 54 SER H 1.0 1.8 6.0 512 367 A 24 GLN H A 54 SER H 1.0 1.8 5.0 513 368 A 24 GLN H A 55 VAL HA 1.0 1.8 5.0 514 369 A 24 GLN HE21 A 56 GLU HGx 1.0 1.8 5.0 515 369 A 24 GLN HE21 A 56 GLU HGy 1.0 1.8 5.0 516 370 A 24 GLN HE22 A 56 GLU HGx 1.0 1.8 5.0 517 370 A 24 GLN HE22 A 56 GLU HGy 1.0 1.8 5.0 518 371 A 25 PRO HDy A 26 CYS H 1.0 1.8 5.0 519 372 A 26 CYS H A 25 PRO HDx 1.0 1.8 5.0 520 373 A 26 CYS H A 25 PRO HDx 1.0 1.8 5.0 521 373 A 25 PRO HDy A 26 CYS H 1.0 1.8 5.0 522 374 A 26 CYS H A 25 PRO HGx 1.0 1.8 5.0 523 374 A 25 PRO HGy A 26 CYS H 1.0 1.8 5.0 524 375 A 50 THR HG2% A 25 PRO HDx 1.0 1.8 5.0 525 375 A 25 PRO HDy A 50 THR HG2% 1.0 1.8 5.0 526 376 A 50 THR HG2% A 25 PRO HGx 1.0 1.8 5.0 527 376 A 25 PRO HGy A 50 THR HG2% 1.0 1.8 5.0 528 377 A 25 PRO HDy A 53 VAL HB 1.0 1.8 5.0 529 378 A 53 VAL HB A 25 PRO HDx 1.0 1.8 5.0 530 379 A 53 VAL HB A 25 PRO HDx 1.0 1.8 5.0 531 379 A 25 PRO HDy A 53 VAL HB 1.0 1.8 5.0 532 380 A 25 PRO HDy A 53 VAL HG2% 1.0 1.8 3.5 533 381 A 53 VAL HG2% A 25 PRO HDx 1.0 1.8 3.5 534 382 A 53 VAL HG2% A 25 PRO HDx 1.0 1.8 3.5 535 382 A 25 PRO HDy A 53 VAL HG2% 1.0 1.8 3.5 536 383 A 25 PRO HDy A 53 VAL H 1.0 1.8 5.0 537 384 A 53 VAL H A 25 PRO HDx 1.0 1.8 5.0 538 385 A 53 VAL H A 25 PRO HDx 1.0 1.8 5.0 539 385 A 25 PRO HDy A 53 VAL H 1.0 1.8 5.0 540 386 A 26 CYS H A 26 CYS HBy 1.0 1.8 3.5 541 386 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.5 542 387 A 27 GLY H A 26 CYS H 1.0 1.8 5.0 543 388 A 28 HIS H A 26 CYS HBy 1.0 1.8 5.0 544 388 A 28 HIS H A 26 CYS HBx 1.0 1.8 5.0 545 389 A 50 THR HB A 26 CYS HBy 1.0 1.8 5.0 546 390 A 26 CYS HBx A 50 THR HB 1.0 1.8 5.0 547 391 A 50 THR HB A 26 CYS HBy 1.0 1.8 5.0 548 391 A 26 CYS HBx A 50 THR HB 1.0 1.8 5.0 549 392 A 50 THR HG2% A 26 CYS HA 1.0 1.8 5.0 550 393 A 50 THR HG2% A 26 CYS HBy 1.0 1.8 3.5 551 393 A 50 THR HG2% A 26 CYS HBx 1.0 1.8 3.5 552 394 A 26 CYS H A 50 THR HG2% 1.0 1.8 5.0 553 395 A 27 GLY H A 28 HIS H 1.0 1.8 5.0 554 396 A 28 HIS H A 28 HIS HBy 1.0 1.8 3.5 555 396 A 28 HIS H A 28 HIS HBx 1.0 1.8 3.5 556 397 A 28 HIS HA A 28 HIS HD2 1.0 1.8 3.5 557 398 A 28 HIS HA A 29 LYS HGy 1.0 1.8 5.0 558 398 A 29 LYS HGx A 28 HIS HA 1.0 1.8 5.0 559 399 A 29 LYS H A 28 HIS HA 1.0 1.8 3.5 560 400 A 29 LYS H A 28 HIS HBy 1.0 1.8 5.0 561 401 A 29 LYS H A 28 HIS HBx 1.0 1.8 5.0 562 402 A 29 LYS H A 28 HIS HBy 1.0 1.8 3.5 563 402 A 29 LYS H A 28 HIS HBx 1.0 1.8 3.5 564 403 A 29 LYS H A 28 HIS H 1.0 1.8 5.0 565 404 A 47 PHE HD% A 28 HIS HBy 1.0 1.8 5.0 566 405 A 28 HIS HBx A 47 PHE HD% 1.0 1.8 5.0 567 406 A 47 PHE HD% A 28 HIS HBy 1.0 1.8 3.5 568 406 A 28 HIS HBx A 47 PHE HD% 1.0 1.8 3.5 569 407 A 47 PHE HE% A 28 HIS HBy 1.0 1.8 5.0 570 407 A 47 PHE HE% A 28 HIS HBx 1.0 1.8 5.0 571 408 A 28 HIS HE1 A 48 CYS HA 1.0 1.8 5.0 572 409 A 28 HIS HE1 A 48 CYS HBx 1.0 1.8 3.5 573 409 A 28 HIS HE1 A 48 CYS HBy 1.0 1.8 3.5 574 410 A 29 LYS H A 29 LYS HBy 1.0 1.8 3.5 575 410 A 29 LYS HBx A 29 LYS H 1.0 1.8 3.5 576 411 A 29 LYS HA A 29 LYS HDx 1.0 1.8 6.0 577 411 A 29 LYS HA A 29 LYS HDy 1.0 1.8 6.0 578 412 A 29 LYS HA A 29 LYS HEx 1.0 1.8 5.0 579 412 A 29 LYS HA A 29 LYS HEy 1.0 1.8 5.0 580 413 A 29 LYS HEy A 29 LYS HBy 1.0 1.8 5.0 581 413 A 29 LYS HBy A 29 LYS HEx 1.0 1.8 5.0 582 414 A 29 LYS HBx A 29 LYS HEy 1.0 1.8 5.0 583 414 A 29 LYS HBx A 29 LYS HEx 1.0 1.8 5.0 584 415 A 29 LYS HBy A 29 LYS HEx 1.0 1.8 5.0 585 415 A 29 LYS HBx A 29 LYS HEx 1.0 1.8 5.0 586 415 A 29 LYS HEy A 29 LYS HBy 1.0 1.8 5.0 587 415 A 29 LYS HBx A 29 LYS HEy 1.0 1.8 5.0 588 416 A 29 LYS HEy A 29 LYS HGy 1.0 1.8 5.0 589 416 A 29 LYS HEx A 29 LYS HGy 1.0 1.8 5.0 590 417 A 29 LYS HGx A 29 LYS HEx 1.0 1.8 5.0 591 417 A 29 LYS HEy A 29 LYS HGx 1.0 1.8 5.0 592 418 A 29 LYS H A 29 LYS HGy 1.0 1.8 5.0 593 418 A 29 LYS HGx A 29 LYS H 1.0 1.8 5.0 594 419 A 29 LYS HA A 30 SER H 1.0 1.8 3.5 595 420 A 30 SER H A 29 LYS HBy 1.0 1.8 5.0 596 421 A 29 LYS HBx A 30 SER H 1.0 1.8 5.0 597 422 A 30 SER H A 29 LYS HBy 1.0 1.8 3.5 598 422 A 29 LYS HBx A 30 SER H 1.0 1.8 3.5 599 423 A 30 SER H A 29 LYS HGy 1.0 1.8 6.0 600 424 A 29 LYS HGx A 30 SER H 1.0 1.8 6.0 601 425 A 30 SER H A 29 LYS HGy 1.0 1.8 5.0 602 425 A 29 LYS HGx A 30 SER H 1.0 1.8 5.0 603 426 A 29 LYS H A 30 SER H 1.0 1.8 6.0 604 427 A 29 LYS HDx A 58 TRP HBx 1.0 1.8 5.0 605 427 A 29 LYS HDy A 58 TRP HBx 1.0 1.8 5.0 606 427 A 58 TRP HBy A 29 LYS HDx 1.0 1.8 5.0 607 427 A 29 LYS HDy A 58 TRP HBy 1.0 1.8 5.0 608 428 A 58 TRP HD1 A 29 LYS HDx 1.0 1.8 5.0 609 428 A 29 LYS HDy A 58 TRP HD1 1.0 1.8 5.0 610 429 A 58 TRP HE1 A 29 LYS HDx 1.0 1.8 5.0 611 429 A 29 LYS HDy A 58 TRP HE1 1.0 1.8 5.0 612 430 A 58 TRP HE1 A 29 LYS HEx 1.0 1.8 5.0 613 430 A 29 LYS HEy A 58 TRP HE1 1.0 1.8 5.0 614 431 A 58 TRP HE3 A 29 LYS HDx 1.0 1.8 5.0 615 431 A 29 LYS HDy A 58 TRP HE3 1.0 1.8 5.0 616 432 A 58 TRP HZ2 A 29 LYS HDx 1.0 1.8 6.0 617 432 A 29 LYS HDy A 58 TRP HZ2 1.0 1.8 6.0 618 433 A 58 TRP HZ2 A 29 LYS HEx 1.0 1.8 5.0 619 433 A 29 LYS HEy A 58 TRP HZ2 1.0 1.8 5.0 620 434 A 31 CYS H A 30 SER HBy 1.0 1.8 3.5 621 434 A 31 CYS H A 30 SER HBx 1.0 1.8 3.5 622 435 A 31 CYS H A 30 SER HG 1.0 1.8 5.0 623 436 A 30 SER HG A 34 CYS HBy 1.0 1.8 5.0 624 436 A 34 CYS HBx A 30 SER HG 1.0 1.8 5.0 625 437 A 30 SER HG A 34 CYS HBy 1.0 1.8 5.0 626 438 A 34 CYS HBx A 30 SER HG 1.0 1.8 5.0 627 439 A 35 ILE HB A 30 SER HG 1.0 1.8 5.0 628 440 A 35 ILE HG2% A 30 SER HG 1.0 1.8 5.0 629 441 A 30 SER HG A 35 ILE H 1.0 1.8 5.0 630 442 A 31 CYS H A 31 CYS HBy 1.0 1.8 3.5 631 442 A 31 CYS HBx A 31 CYS H 1.0 1.8 3.5 632 443 A 31 CYS HA A 32 LYS H 1.0 1.8 3.5 633 444 A 32 LYS H A 31 CYS HBy 1.0 1.8 3.5 634 444 A 31 CYS HBx A 32 LYS H 1.0 1.8 3.5 635 445 A 31 CYS HA A 33 ALA H 1.0 1.8 5.0 636 446 A 33 ALA H A 31 CYS HBy 1.0 1.8 5.0 637 446 A 31 CYS HBx A 33 ALA H 1.0 1.8 5.0 638 447 A 31 CYS H A 34 CYS HBy 1.0 1.8 5.0 639 447 A 31 CYS H A 34 CYS HBx 1.0 1.8 5.0 640 448 A 32 LYS H A 32 LYS HBx 1.0 1.8 3.5 641 448 A 32 LYS HBy A 32 LYS H 1.0 1.8 3.5 642 449 A 32 LYS HA A 32 LYS HDx 1.0 1.8 5.0 643 449 A 32 LYS HA A 32 LYS HDy 1.0 1.8 5.0 644 450 A 32 LYS HBy A 32 LYS HEx 1.0 1.8 5.0 645 450 A 32 LYS HBx A 32 LYS HEx 1.0 1.8 5.0 646 450 A 32 LYS HEy A 32 LYS HBx 1.0 1.8 5.0 647 450 A 32 LYS HBy A 32 LYS HEy 1.0 1.8 5.0 648 451 A 32 LYS H A 32 LYS HGy 1.0 1.8 5.0 649 451 A 32 LYS HGx A 32 LYS H 1.0 1.8 5.0 650 452 A 32 LYS H A 32 LYS HGy 1.0 1.8 5.0 651 453 A 32 LYS HGx A 32 LYS H 1.0 1.8 5.0 652 454 A 33 ALA HA A 32 LYS HBx 1.0 1.8 5.0 653 454 A 32 LYS HBy A 33 ALA HA 1.0 1.8 5.0 654 455 A 33 ALA HA A 32 LYS HEx 1.0 1.8 6.0 655 455 A 32 LYS HEy A 33 ALA HA 1.0 1.8 6.0 656 456 A 33 ALA H A 32 LYS HBx 1.0 1.8 5.0 657 456 A 32 LYS HBy A 33 ALA H 1.0 1.8 5.0 658 457 A 32 LYS H A 33 ALA H 1.0 1.8 3.5 659 458 A 32 LYS H A 34 CYS H 1.0 1.8 6.0 660 459 A 32 LYS HA A 35 ILE HG2% 1.0 1.8 3.5 661 460 A 32 LYS H A 35 ILE HG2% 1.0 1.8 5.0 662 461 A 32 LYS HA A 35 ILE H 1.0 1.8 5.0 663 462 A 32 LYS HA A 36 ASN H 1.0 1.8 5.0 664 463 A 33 ALA H A 33 ALA HB% 1.0 1.8 3.5 665 464 A 33 ALA H A 34 CYS HBy 1.0 1.8 5.0 666 464 A 34 CYS HBx A 33 ALA H 1.0 1.8 5.0 667 465 A 34 CYS H A 33 ALA HB% 1.0 1.8 3.5 668 466 A 33 ALA H A 34 CYS H 1.0 1.8 3.5 669 467 A 35 ILE H A 33 ALA H 1.0 1.8 5.0 670 468 A 33 ALA HA A 36 ASN HBy 1.0 1.8 5.0 671 468 A 33 ALA HA A 36 ASN HBx 1.0 1.8 5.0 672 469 A 33 ALA H A 36 ASN HBy 1.0 1.8 6.0 673 469 A 33 ALA H A 36 ASN HBx 1.0 1.8 6.0 674 470 A 33 ALA HA A 36 ASN HBy 1.0 1.8 5.0 675 471 A 33 ALA HA A 36 ASN HBx 1.0 1.8 5.0 676 472 A 33 ALA HA A 36 ASN HD21 1.0 1.8 5.0 677 473 A 33 ALA HA A 36 ASN H 1.0 1.8 5.0 678 474 A 36 ASN H A 33 ALA HB% 1.0 1.8 5.0 679 475 A 34 CYS H A 34 CYS HBy 1.0 1.8 3.5 680 475 A 34 CYS HBx A 34 CYS H 1.0 1.8 3.5 681 476 A 35 ILE H A 34 CYS HBy 1.0 1.8 5.0 682 477 A 34 CYS HBx A 35 ILE H 1.0 1.8 5.0 683 478 A 35 ILE H A 34 CYS HBy 1.0 1.8 5.0 684 478 A 34 CYS HBx A 35 ILE H 1.0 1.8 5.0 685 479 A 35 ILE H A 34 CYS H 1.0 1.8 5.0 686 480 A 34 CYS HA A 37 GLN HBx 1.0 1.8 5.0 687 480 A 34 CYS HA A 37 GLN HBy 1.0 1.8 5.0 688 481 A 34 CYS HA A 37 GLN HBy 1.0 1.8 5.0 689 482 A 34 CYS HA A 37 GLN HBx 1.0 1.8 5.0 690 483 A 34 CYS HA A 37 GLN H 1.0 1.8 5.0 691 484 A 34 CYS HA A 38 HIS H 1.0 1.8 5.0 692 485 A 46 PHE HE% A 34 CYS HBy 1.0 1.8 6.0 693 486 A 34 CYS HBx A 46 PHE HE% 1.0 1.8 6.0 694 487 A 46 PHE HE% A 34 CYS HBy 1.0 1.8 5.0 695 487 A 34 CYS HBx A 46 PHE HE% 1.0 1.8 5.0 696 488 A 46 PHE HZ A 34 CYS HBy 1.0 1.8 5.0 697 488 A 34 CYS HBx A 46 PHE HZ 1.0 1.8 5.0 698 489 A 35 ILE HD1% A 35 ILE HA 1.0 1.8 3.5 699 490 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 3.5 700 490 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 3.5 701 491 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 3.5 702 492 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 3.5 703 493 A 35 ILE HG2% A 35 ILE H 1.0 1.8 3.5 704 494 A 35 ILE HG2% A 36 ASN HA 1.0 1.8 5.0 705 495 A 35 ILE HB A 36 ASN H 1.0 1.8 5.0 706 496 A 35 ILE HG2% A 36 ASN H 1.0 1.8 3.5 707 497 A 35 ILE H A 36 ASN H 1.0 1.8 3.5 708 498 A 35 ILE HA A 38 HIS HBy 1.0 1.8 3.5 709 498 A 35 ILE HA A 38 HIS HBx 1.0 1.8 3.5 710 499 A 35 ILE HD1% A 38 HIS HBy 1.0 1.8 5.0 711 499 A 35 ILE HD1% A 38 HIS HBx 1.0 1.8 5.0 712 500 A 35 ILE HG1x A 38 HIS HBy 1.0 1.8 6.0 713 500 A 38 HIS HBx A 35 ILE HG1y 1.0 1.8 6.0 714 500 A 35 ILE HG1x A 38 HIS HBx 1.0 1.8 6.0 715 500 A 35 ILE HG1y A 38 HIS HBy 1.0 1.8 6.0 716 501 A 35 ILE HA A 38 HIS HBy 1.0 1.8 5.0 717 502 A 35 ILE HD1% A 38 HIS HBy 1.0 1.8 5.0 718 503 A 35 ILE HA A 38 HIS HBx 1.0 1.8 5.0 719 504 A 35 ILE HD1% A 38 HIS HBx 1.0 1.8 5.0 720 505 A 35 ILE HD1% A 38 HIS HD2 1.0 1.8 3.5 721 506 A 38 HIS H A 35 ILE HA 1.0 1.8 5.0 722 507 A 35 ILE HD1% A 39 LEU HD1% 1.0 1.8 5.0 723 508 A 39 LEU HD1% A 35 ILE HG1y 1.0 1.8 5.0 724 508 A 35 ILE HG1x A 39 LEU HD1% 1.0 1.8 5.0 725 509 A 35 ILE HG2% A 39 LEU HD1% 1.0 1.8 5.0 726 510 A 35 ILE HD1% A 39 LEU HD2% 1.0 1.8 5.0 727 511 A 39 LEU HD2% A 35 ILE HG1y 1.0 1.8 5.0 728 511 A 35 ILE HG1x A 39 LEU HD2% 1.0 1.8 5.0 729 512 A 35 ILE HD1% A 39 LEU HG 1.0 1.8 5.0 730 513 A 39 LEU HG A 35 ILE HG1y 1.0 1.8 5.0 731 513 A 35 ILE HG1x A 39 LEU HG 1.0 1.8 5.0 732 514 A 35 ILE HD1% A 39 LEU H 1.0 1.8 5.0 733 515 A 39 LEU H A 35 ILE HG1y 1.0 1.8 5.0 734 515 A 35 ILE HG1x A 39 LEU H 1.0 1.8 5.0 735 516 A 46 PHE HE% A 35 ILE HA 1.0 1.8 5.0 736 517 A 46 PHE HE% A 35 ILE HB 1.0 1.8 6.0 737 518 A 46 PHE HE% A 35 ILE HD1% 1.0 1.8 5.0 738 519 A 46 PHE HZ A 35 ILE HA 1.0 1.8 5.0 739 520 A 46 PHE HZ A 35 ILE HB 1.0 1.8 5.0 740 521 A 46 PHE HZ A 35 ILE HD1% 1.0 1.8 5.0 741 522 A 35 ILE HD1% A 52 ILE HD1% 1.0 1.8 3.5 742 523 A 55 VAL HG2% A 35 ILE HD1% 1.0 1.8 5.0 743 524 A 35 ILE HG2% A 55 VAL HG2% 1.0 1.8 5.0 744 525 A 36 ASN H A 36 ASN HBy 1.0 1.8 3.5 745 525 A 36 ASN H A 36 ASN HBx 1.0 1.8 3.5 746 526 A 37 GLN HA A 36 ASN HBy 1.0 1.8 5.0 747 526 A 36 ASN HBx A 37 GLN HA 1.0 1.8 5.0 748 527 A 37 GLN H A 36 ASN HBy 1.0 1.8 5.0 749 528 A 36 ASN HBx A 37 GLN H 1.0 1.8 5.0 750 529 A 37 GLN H A 36 ASN HBy 1.0 1.8 3.5 751 529 A 36 ASN HBx A 37 GLN H 1.0 1.8 3.5 752 530 A 36 ASN H A 37 GLN H 1.0 1.8 3.5 753 531 A 36 ASN HA A 39 LEU HBx 1.0 1.8 5.0 754 531 A 36 ASN HA A 39 LEU HBy 1.0 1.8 5.0 755 532 A 36 ASN HA A 39 LEU HBy 1.0 1.8 5.0 756 533 A 36 ASN HA A 39 LEU HBx 1.0 1.8 5.0 757 534 A 36 ASN HA A 39 LEU HD1% 1.0 1.8 5.0 758 535 A 36 ASN HA A 39 LEU H 1.0 1.8 5.0 759 536 A 36 ASN HA A 40 MET H 1.0 1.8 6.0 760 537 A 37 GLN HBy A 37 GLN H 1.0 1.8 3.5 761 538 A 37 GLN H A 37 GLN HBx 1.0 1.8 3.5 762 539 A 37 GLN H A 37 GLN HGx 1.0 1.8 5.0 763 539 A 37 GLN H A 37 GLN HGy 1.0 1.8 5.0 764 540 A 37 GLN HBy A 38 HIS H 1.0 1.8 5.0 765 541 A 38 HIS H A 37 GLN HBx 1.0 1.8 5.0 766 542 A 38 HIS H A 37 GLN HBx 1.0 1.8 3.5 767 542 A 37 GLN HBy A 38 HIS H 1.0 1.8 3.5 768 543 A 38 HIS H A 37 GLN HGx 1.0 1.8 5.0 769 543 A 38 HIS H A 37 GLN HGy 1.0 1.8 5.0 770 544 A 37 GLN H A 38 HIS H 1.0 1.8 3.5 771 545 A 37 GLN HGy A 40 MET HBy 1.0 1.8 6.0 772 545 A 37 GLN HGx A 40 MET HBy 1.0 1.8 6.0 773 546 A 40 MET HBx A 37 GLN HGx 1.0 1.8 6.0 774 546 A 37 GLN HGy A 40 MET HBx 1.0 1.8 6.0 775 547 A 40 MET HE% A 37 GLN HGx 1.0 1.8 6.0 776 547 A 37 GLN HGy A 40 MET HE% 1.0 1.8 6.0 777 548 A 37 GLN HA A 40 MET HGx 1.0 1.8 5.0 778 548 A 37 GLN HA A 40 MET HGy 1.0 1.8 5.0 779 549 A 37 GLN HA A 40 MET HGy 1.0 1.8 5.0 780 550 A 37 GLN HA A 40 MET HGx 1.0 1.8 5.0 781 551 A 37 GLN HA A 40 MET H 1.0 1.8 5.0 782 552 A 38 HIS H A 38 HIS HBy 1.0 1.8 3.5 783 553 A 38 HIS H A 38 HIS HBx 1.0 1.8 3.5 784 554 A 38 HIS HD2 A 38 HIS HBy 1.0 1.8 3.5 785 554 A 38 HIS HBx A 38 HIS HD2 1.0 1.8 3.5 786 555 A 38 HIS H A 39 LEU HBx 1.0 1.8 6.0 787 555 A 38 HIS H A 39 LEU HBy 1.0 1.8 6.0 788 556 A 38 HIS HD2 A 39 LEU HD2% 1.0 1.8 5.0 789 557 A 38 HIS H A 39 LEU HG 1.0 1.8 6.0 790 558 A 39 LEU H A 38 HIS HBy 1.0 1.8 5.0 791 559 A 38 HIS HBx A 39 LEU H 1.0 1.8 5.0 792 560 A 39 LEU H A 38 HIS HBy 1.0 1.8 3.5 793 560 A 38 HIS HBx A 39 LEU H 1.0 1.8 3.5 794 561 A 38 HIS H A 39 LEU H 1.0 1.8 3.5 795 562 A 40 MET H A 38 HIS HA 1.0 1.8 6.0 796 563 A 38 HIS HD2 A 44 ASP H 1.0 1.8 6.0 797 564 A 38 HIS HE1 A 46 PHE HA 1.0 1.8 6.0 798 565 A 46 PHE HD% A 38 HIS HE1 1.0 1.8 5.0 799 566 A 46 PHE HE% A 38 HIS HBy 1.0 1.8 6.0 800 567 A 46 PHE HE% A 38 HIS HBx 1.0 1.8 6.0 801 568 A 46 PHE HE% A 38 HIS HBy 1.0 1.8 5.0 802 568 A 46 PHE HE% A 38 HIS HBx 1.0 1.8 5.0 803 569 A 46 PHE HZ A 38 HIS HBy 1.0 1.8 6.0 804 570 A 46 PHE HZ A 38 HIS HBx 1.0 1.8 6.0 805 571 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.5 806 571 A 39 LEU H A 39 LEU HBy 1.0 1.8 3.5 807 572 A 39 LEU HD1% A 39 LEU HA 1.0 1.8 5.0 808 573 A 39 LEU HD1% A 39 LEU HBy 1.0 1.8 3.5 809 574 A 39 LEU HD1% A 39 LEU HBx 1.0 1.8 3.5 810 575 A 39 LEU HD1% A 39 LEU H 1.0 1.8 5.0 811 576 A 39 LEU HD2% A 39 LEU HA 1.0 1.8 3.5 812 577 A 39 LEU HD2% A 39 LEU HBx 1.0 1.8 3.5 813 577 A 39 LEU HD2% A 39 LEU HBy 1.0 1.8 3.5 814 578 A 39 LEU HD2% A 39 LEU H 1.0 1.8 5.0 815 579 A 39 LEU HG A 39 LEU H 1.0 1.8 5.0 816 580 A 39 LEU HBy A 40 MET H 1.0 1.8 5.0 817 581 A 40 MET H A 39 LEU HBx 1.0 1.8 5.0 818 582 A 40 MET H A 39 LEU HBx 1.0 1.8 5.0 819 582 A 39 LEU HBy A 40 MET H 1.0 1.8 5.0 820 583 A 39 LEU HD2% A 40 MET H 1.0 1.8 5.0 821 584 A 39 LEU H A 40 MET H 1.0 1.8 5.0 822 585 A 39 LEU HA A 41 ASN H 1.0 1.8 5.0 823 586 A 39 LEU HA A 42 ASN H 1.0 1.8 5.0 824 587 A 39 LEU HD2% A 42 ASN H 1.0 1.8 5.0 825 588 A 39 LEU HD2% A 43 LYS HA 1.0 1.8 3.5 826 589 A 39 LEU HD2% A 43 LYS HDy 1.0 1.8 5.0 827 589 A 39 LEU HD2% A 43 LYS HDx 1.0 1.8 5.0 828 590 A 39 LEU HD2% A 43 LYS HDy 1.0 1.8 5.0 829 591 A 39 LEU HD2% A 43 LYS HDx 1.0 1.8 5.0 830 592 A 39 LEU HD2% A 44 ASP H 1.0 1.8 5.0 831 593 A 39 LEU HD2% A 52 ILE HB 1.0 1.8 5.0 832 594 A 52 ILE HD1% A 39 LEU HD1% 1.0 1.8 5.0 833 595 A 52 ILE HD1% A 39 LEU HD2% 1.0 1.8 5.0 834 596 A 52 ILE HG2% A 39 LEU HD2% 1.0 1.8 6.0 835 597 A 55 VAL HG2% A 39 LEU HD1% 1.0 1.8 3.5 836 598 A 40 MET H A 40 MET HBy 1.0 1.8 3.5 837 598 A 40 MET H A 40 MET HBx 1.0 1.8 3.5 838 599 A 40 MET HE% A 40 MET HGy 1.0 1.8 5.0 839 600 A 40 MET HE% A 40 MET HGx 1.0 1.8 5.0 840 601 A 40 MET HA A 40 MET HGx 1.0 1.8 3.5 841 601 A 40 MET HGy A 40 MET HA 1.0 1.8 3.5 842 602 A 40 MET H A 40 MET HGx 1.0 1.8 3.5 843 602 A 40 MET H A 40 MET HGy 1.0 1.8 3.5 844 603 A 40 MET H A 40 MET HGy 1.0 1.8 5.0 845 604 A 40 MET H A 40 MET HGx 1.0 1.8 5.0 846 605 A 41 ASN H A 40 MET HBy 1.0 1.8 5.0 847 606 A 41 ASN H A 40 MET HBx 1.0 1.8 5.0 848 607 A 41 ASN H A 41 ASN HBy 1.0 1.8 3.5 849 607 A 41 ASN H A 41 ASN HBx 1.0 1.8 3.5 850 608 A 41 ASN HA A 41 ASN HD22 1.0 1.8 5.0 851 609 A 42 ASN H A 41 ASN HBy 1.0 1.8 5.0 852 610 A 42 ASN H A 41 ASN HBx 1.0 1.8 5.0 853 611 A 42 ASN H A 41 ASN HBy 1.0 1.8 5.0 854 611 A 42 ASN H A 41 ASN HBx 1.0 1.8 5.0 855 612 A 41 ASN H A 42 ASN H 1.0 1.8 3.5 856 613 A 42 ASN H A 42 ASN HBx 1.0 1.8 3.5 857 613 A 42 ASN H A 42 ASN HBy 1.0 1.8 3.5 858 614 A 42 ASN HA A 42 ASN HD21 1.0 1.8 5.0 859 615 A 42 ASN H A 42 ASN HD21 1.0 1.8 5.0 860 616 A 42 ASN HA A 42 ASN HD22 1.0 1.8 5.0 861 617 A 42 ASN H A 42 ASN HD22 1.0 1.8 5.0 862 618 A 42 ASN HA A 43 LYS H 1.0 1.8 2.7 863 619 A 43 LYS H A 42 ASN HBx 1.0 1.8 5.0 864 619 A 42 ASN HBy A 43 LYS H 1.0 1.8 5.0 865 620 A 44 ASP H A 42 ASN HBx 1.0 1.8 5.0 866 620 A 44 ASP H A 42 ASN HBy 1.0 1.8 5.0 867 621 A 43 LYS H A 43 LYS HDy 1.0 1.8 5.0 868 621 A 43 LYS HDx A 43 LYS H 1.0 1.8 5.0 869 622 A 43 LYS HBx A 43 LYS HEx 1.0 1.8 5.0 870 622 A 43 LYS HBy A 43 LYS HEx 1.0 1.8 5.0 871 622 A 43 LYS HEy A 43 LYS HBy 1.0 1.8 5.0 872 622 A 43 LYS HBx A 43 LYS HEy 1.0 1.8 5.0 873 623 A 43 LYS H A 43 LYS HGx 1.0 1.8 5.0 874 623 A 43 LYS H A 43 LYS HGy 1.0 1.8 5.0 875 624 A 44 ASP H A 43 LYS H 1.0 1.8 3.5 876 625 A 43 LYS HA A 51 THR HG2% 1.0 1.8 6.0 877 626 A 51 THR HG2% A 43 LYS HBy 1.0 1.8 5.0 878 627 A 43 LYS HBx A 51 THR HG2% 1.0 1.8 5.0 879 628 A 51 THR HG2% A 43 LYS HBy 1.0 1.8 3.5 880 628 A 43 LYS HBx A 51 THR HG2% 1.0 1.8 3.5 881 629 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.5 882 629 A 44 ASP H A 44 ASP HBx 1.0 1.8 3.5 883 630 A 44 ASP HA A 45 CYS H 1.0 1.8 3.5 884 631 A 45 CYS H A 44 ASP HBy 1.0 1.8 5.0 885 632 A 44 ASP HBx A 45 CYS H 1.0 1.8 5.0 886 633 A 45 CYS H A 44 ASP HBy 1.0 1.8 3.5 887 633 A 44 ASP HBx A 45 CYS H 1.0 1.8 3.5 888 634 A 49 LYS HA A 44 ASP HBy 1.0 1.8 5.0 889 635 A 44 ASP HBx A 49 LYS HA 1.0 1.8 5.0 890 636 A 49 LYS HA A 44 ASP HBy 1.0 1.8 5.0 891 636 A 44 ASP HBx A 49 LYS HA 1.0 1.8 5.0 892 637 A 50 THR H A 44 ASP HBy 1.0 1.8 5.0 893 637 A 44 ASP HBx A 50 THR H 1.0 1.8 5.0 894 638 A 44 ASP HA A 51 THR HA 1.0 1.8 3.5 895 639 A 51 THR HA A 44 ASP HBy 1.0 1.8 5.0 896 640 A 44 ASP HBx A 51 THR HA 1.0 1.8 5.0 897 641 A 51 THR HA A 44 ASP HBy 1.0 1.8 5.0 898 641 A 44 ASP HBx A 51 THR HA 1.0 1.8 5.0 899 642 A 51 THR HG2% A 44 ASP HA 1.0 1.8 5.0 900 643 A 44 ASP HA A 52 ILE HG1y 1.0 1.8 5.0 901 643 A 52 ILE HG1x A 44 ASP HA 1.0 1.8 5.0 902 644 A 44 ASP HA A 52 ILE H 1.0 1.8 5.0 903 645 A 45 CYS H A 45 CYS HBy 1.0 1.8 3.5 904 646 A 45 CYS HBx A 45 CYS H 1.0 1.8 3.5 905 647 A 46 PHE H A 45 CYS HA 1.0 1.8 3.5 906 648 A 48 CYS H A 45 CYS HBy 1.0 1.8 5.0 907 648 A 45 CYS HBx A 48 CYS H 1.0 1.8 5.0 908 649 A 49 LYS HA A 45 CYS HBy 1.0 1.8 5.0 909 650 A 45 CYS HBx A 49 LYS HA 1.0 1.8 5.0 910 651 A 49 LYS HA A 45 CYS HBy 1.0 1.8 5.0 911 651 A 45 CYS HBx A 49 LYS HA 1.0 1.8 5.0 912 652 A 45 CYS H A 49 LYS HA 1.0 1.8 5.0 913 653 A 49 LYS H A 45 CYS HBy 1.0 1.8 5.0 914 653 A 45 CYS HBx A 49 LYS H 1.0 1.8 5.0 915 654 A 50 THR HB A 45 CYS HBy 1.0 1.8 5.0 916 655 A 45 CYS HBx A 50 THR HB 1.0 1.8 5.0 917 656 A 50 THR H A 45 CYS HBy 1.0 1.8 3.5 918 656 A 45 CYS HBx A 50 THR H 1.0 1.8 3.5 919 657 A 45 CYS H A 50 THR H 1.0 1.8 5.0 920 658 A 45 CYS H A 51 THR HA 1.0 1.8 5.0 921 659 A 52 ILE HD1% A 45 CYS HA 1.0 1.8 3.5 922 660 A 52 ILE HD1% A 45 CYS HBy 1.0 1.8 5.0 923 660 A 45 CYS HBx A 52 ILE HD1% 1.0 1.8 5.0 924 661 A 45 CYS HA A 52 ILE HG1y 1.0 1.8 5.0 925 661 A 52 ILE HG1x A 45 CYS HA 1.0 1.8 5.0 926 662 A 45 CYS HBx A 52 ILE HG1y 1.0 1.8 5.0 927 662 A 52 ILE HG1x A 45 CYS HBy 1.0 1.8 5.0 928 662 A 45 CYS HBx A 52 ILE HG1x 1.0 1.8 5.0 929 662 A 45 CYS HBy A 52 ILE HG1y 1.0 1.8 5.0 930 663 A 45 CYS H A 52 ILE HG1y 1.0 1.8 5.0 931 663 A 52 ILE HG1x A 45 CYS H 1.0 1.8 5.0 932 664 A 46 PHE HD% A 46 PHE HA 1.0 1.8 5.0 933 665 A 46 PHE HD% A 46 PHE H 1.0 1.8 5.0 934 666 A 46 PHE HD% A 46 PHE HZ 1.0 1.8 5.0 935 667 A 47 PHE HA A 46 PHE HBy 1.0 1.8 5.0 936 667 A 46 PHE HBx A 47 PHE HA 1.0 1.8 5.0 937 668 A 47 PHE H A 46 PHE HBy 1.0 1.8 5.0 938 669 A 46 PHE HBx A 47 PHE H 1.0 1.8 5.0 939 670 A 47 PHE H A 46 PHE HBy 1.0 1.8 5.0 940 670 A 46 PHE HBx A 47 PHE H 1.0 1.8 5.0 941 671 A 46 PHE HD% A 47 PHE H 1.0 1.8 5.0 942 672 A 46 PHE H A 47 PHE H 1.0 1.8 5.0 943 673 A 46 PHE H A 52 ILE HD1% 1.0 1.8 5.0 944 674 A 47 PHE HD% A 47 PHE HA 1.0 1.8 5.0 945 675 A 47 PHE HD% A 47 PHE H 1.0 1.8 5.0 946 676 A 48 CYS H A 47 PHE HBy 1.0 1.8 5.0 947 677 A 48 CYS H A 47 PHE HBx 1.0 1.8 5.0 948 678 A 48 CYS H A 47 PHE HBy 1.0 1.8 3.5 949 678 A 48 CYS H A 47 PHE HBx 1.0 1.8 3.5 950 679 A 48 CYS H A 47 PHE H 1.0 1.8 3.5 951 680 A 49 LYS H A 47 PHE H 1.0 1.8 5.0 952 681 A 48 CYS H A 49 LYS H 1.0 1.8 3.5 953 682 A 49 LYS HA A 49 LYS HDx 1.0 1.8 5.0 954 682 A 49 LYS HA A 49 LYS HDy 1.0 1.8 5.0 955 683 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 5.0 956 683 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 5.0 957 683 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 5.0 958 683 A 49 LYS HDy A 49 LYS HBy 1.0 1.8 5.0 959 684 A 49 LYS H A 49 LYS HDx 1.0 1.8 5.0 960 684 A 49 LYS H A 49 LYS HDy 1.0 1.8 5.0 961 685 A 49 LYS H A 49 LYS HGy 1.0 1.8 5.0 962 686 A 49 LYS H A 49 LYS HGx 1.0 1.8 5.0 963 687 A 50 THR H A 49 LYS HBx 1.0 1.8 5.0 964 687 A 50 THR H A 49 LYS HBy 1.0 1.8 5.0 965 688 A 50 THR HB A 50 THR H 1.0 1.8 3.5 966 689 A 50 THR H A 50 THR HG1 1.0 1.8 5.0 967 690 A 50 THR HG2% A 50 THR HA 1.0 1.8 3.5 968 691 A 50 THR HG2% A 50 THR H 1.0 1.8 5.0 969 692 A 50 THR HA A 51 THR H 1.0 1.8 3.5 970 693 A 50 THR HG2% A 51 THR H 1.0 1.8 3.5 971 694 A 50 THR H A 51 THR H 1.0 1.8 5.0 972 695 A 51 THR H A 51 THR HB 1.0 1.8 3.5 973 696 A 51 THR HG2% A 51 THR HA 1.0 1.8 3.5 974 697 A 51 THR HG2% A 51 THR H 1.0 1.8 5.0 975 698 A 51 THR HA A 52 ILE H 1.0 1.8 3.5 976 699 A 52 ILE H A 51 THR HB 1.0 1.8 5.0 977 700 A 51 THR HG2% A 52 ILE H 1.0 1.8 3.5 978 701 A 52 ILE HB A 52 ILE H 1.0 1.8 3.5 979 702 A 52 ILE HA A 52 ILE HD1% 1.0 1.8 5.0 980 703 A 52 ILE HD1% A 52 ILE HG2% 1.0 1.8 3.5 981 704 A 52 ILE HD1% A 52 ILE H 1.0 1.8 5.0 982 705 A 52 ILE HA A 52 ILE HG1y 1.0 1.8 3.5 983 705 A 52 ILE HA A 52 ILE HG1x 1.0 1.8 3.5 984 706 A 52 ILE HG2% A 52 ILE HG1y 1.0 1.8 3.5 985 706 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.8 3.5 986 707 A 52 ILE H A 52 ILE HG1y 1.0 1.8 3.5 987 707 A 52 ILE HG1x A 52 ILE H 1.0 1.8 3.5 988 708 A 52 ILE HG2% A 52 ILE HG1y 1.0 1.8 5.0 989 709 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.8 5.0 990 710 A 52 ILE HA A 52 ILE HG2% 1.0 1.8 3.5 991 711 A 52 ILE HA A 53 VAL H 1.0 1.8 3.5 992 712 A 52 ILE HG2% A 53 VAL H 1.0 1.8 5.0 993 713 A 52 ILE HG2% A 54 SER HA 1.0 1.8 5.0 994 714 A 52 ILE HA A 54 SER H 1.0 1.8 5.0 995 715 A 52 ILE HG2% A 54 SER H 1.0 1.8 3.5 996 716 A 52 ILE HG2% A 55 VAL HA 1.0 1.8 5.0 997 717 A 55 VAL HG2% A 52 ILE HD1% 1.0 1.8 5.0 998 718 A 55 VAL HG2% A 52 ILE HG2% 1.0 1.8 3.5 999 719 A 52 ILE HG2% A 55 VAL H 1.0 1.8 5.0 1000 720 A 56 GLU H A 52 ILE HG2% 1.0 1.8 6.0 1001 721 A 53 VAL HB A 53 VAL H 1.0 1.8 3.5 1002 722 A 53 VAL HA A 53 VAL HG1% 1.0 1.8 3.5 1003 723 A 53 VAL HG2% A 53 VAL H 1.0 1.8 3.5 1004 724 A 54 SER HA A 53 VAL HG1% 1.0 1.8 6.0 1005 725 A 53 VAL HG1% A 54 SER HBy 1.0 1.8 5.0 1006 725 A 53 VAL HG1% A 54 SER HBx 1.0 1.8 5.0 1007 726 A 54 SER H A 53 VAL HB 1.0 1.8 3.5 1008 727 A 54 SER H A 53 VAL HG1% 1.0 1.8 5.0 1009 728 A 54 SER H A 53 VAL HG2% 1.0 1.8 5.0 1010 729 A 54 SER H A 53 VAL H 1.0 1.8 3.5 1011 730 A 55 VAL HG2% A 54 SER HA 1.0 1.8 5.0 1012 731 A 54 SER HA A 55 VAL H 1.0 1.8 3.5 1013 732 A 55 VAL H A 54 SER HBy 1.0 1.8 5.0 1014 733 A 55 VAL H A 54 SER HBx 1.0 1.8 5.0 1015 734 A 55 VAL H A 54 SER HBy 1.0 1.8 5.0 1016 734 A 55 VAL H A 54 SER HBx 1.0 1.8 5.0 1017 735 A 55 VAL H A 55 VAL HB 1.0 1.8 3.5 1018 736 A 55 VAL HG1% A 55 VAL HA 1.0 1.8 3.5 1019 737 A 55 VAL HG1% A 55 VAL H 1.0 1.8 5.0 1020 738 A 55 VAL HG2% A 55 VAL HA 1.0 1.8 3.5 1021 739 A 55 VAL HG2% A 55 VAL H 1.0 1.8 3.5 1022 740 A 56 GLU H A 55 VAL HA 1.0 1.8 3.5 1023 741 A 55 VAL HG1% A 56 GLU H 1.0 1.8 3.5 1024 742 A 55 VAL HG2% A 56 GLU H 1.0 1.8 5.0 1025 743 A 56 GLU H A 55 VAL H 1.0 1.8 5.0 1026 744 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.5 1027 744 A 56 GLU HBy A 56 GLU H 1.0 1.8 3.5 1028 745 A 56 GLU H A 56 GLU HGx 1.0 1.8 5.0 1029 745 A 56 GLU HGy A 56 GLU H 1.0 1.8 5.0 1030 746 A 56 GLU HA A 57 ASP H 1.0 1.8 3.5 1031 747 A 57 ASP H A 56 GLU HBx 1.0 1.8 3.5 1032 747 A 56 GLU HBy A 57 ASP H 1.0 1.8 3.5 1033 748 A 57 ASP H A 56 GLU HGx 1.0 1.8 5.0 1034 748 A 56 GLU HGy A 57 ASP H 1.0 1.8 5.0 1035 749 A 57 ASP H A 57 ASP HBy 1.0 1.8 3.5 1036 749 A 57 ASP H A 57 ASP HBx 1.0 1.8 3.5 1037 750 A 58 TRP H A 57 ASP HA 1.0 1.8 3.5 1038 751 A 58 TRP H A 57 ASP HBy 1.0 1.8 5.0 1039 752 A 58 TRP H A 57 ASP HBx 1.0 1.8 5.0 1040 753 A 58 TRP H A 57 ASP HBy 1.0 1.8 5.0 1041 753 A 58 TRP H A 57 ASP HBx 1.0 1.8 5.0 1042 754 A 58 TRP H A 57 ASP H 1.0 1.8 5.0 1043 755 A 58 TRP H A 58 TRP HBx 1.0 1.8 3.5 1044 755 A 58 TRP HBy A 58 TRP H 1.0 1.8 3.5 1045 756 A 58 TRP HA A 58 TRP HD1 1.0 1.8 5.0 1046 757 A 58 TRP HD1 A 58 TRP HBx 1.0 1.8 3.5 1047 757 A 58 TRP HBy A 58 TRP HD1 1.0 1.8 3.5 1048 758 A 58 TRP HE3 A 58 TRP HA 1.0 1.8 5.0 1049 759 A 58 TRP HE3 A 58 TRP HBx 1.0 1.8 3.5 1050 759 A 58 TRP HBy A 58 TRP HE3 1.0 1.8 3.5 1051 760 A 58 TRP HA A 59 GLU H 1.0 1.8 3.5 1052 761 A 59 GLU H A 58 TRP HBx 1.0 1.8 5.0 1053 761 A 58 TRP HBy A 59 GLU H 1.0 1.8 5.0 1054 762 A 58 TRP HH2 A 60 LYS HA 1.0 1.8 5.0 1055 763 A 58 TRP HZ2 A 60 LYS HA 1.0 1.8 5.0 1056 764 A 58 TRP HH2 A 60 LYS HBy 1.0 1.8 5.0 1057 764 A 58 TRP HH2 A 60 LYS HBx 1.0 1.8 5.0 1058 765 A 59 GLU H A 59 GLU HGx 1.0 1.8 5.0 1059 765 A 59 GLU H A 59 GLU HGy 1.0 1.8 5.0 1060 766 A 59 GLU HA A 60 LYS H 1.0 1.8 3.5 1061 767 A 60 LYS H A 59 GLU HBy 1.0 1.8 5.0 1062 768 A 60 LYS H A 59 GLU HBx 1.0 1.8 5.0 1063 769 A 60 LYS H A 59 GLU HBx 1.0 1.8 5.0 1064 769 A 60 LYS H A 59 GLU HBy 1.0 1.8 5.0 1065 770 A 60 LYS H A 59 GLU HGx 1.0 1.8 5.0 1066 770 A 59 GLU HGy A 60 LYS H 1.0 1.8 5.0 1067 771 A 60 LYS HA A 60 LYS HDx 1.0 1.8 5.0 1068 771 A 60 LYS HA A 60 LYS HDy 1.0 1.8 5.0 1069 772 A 60 LYS H A 60 LYS HGx 1.0 1.8 5.0 1070 772 A 60 LYS H A 60 LYS HGy 1.0 1.8 5.0 1071 773 A 60 LYS HA A 61 GLY H 1.0 1.8 3.5 1072 774 A 61 GLY H A 60 LYS HBy 1.0 1.8 5.0 1073 775 A 60 LYS HBx A 61 GLY H 1.0 1.8 5.0 1074 776 A 61 GLY H A 60 LYS HDx 1.0 1.8 6.0 1075 776 A 60 LYS HDy A 61 GLY H 1.0 1.8 6.0 1076 777 A 61 GLY H A 60 LYS HGx 1.0 1.8 5.0 1077 777 A 60 LYS HGy A 61 GLY 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 11 CYS H A 17 HIS O 1.0 1.8 2.3 2 2 A 17 HIS O A 11 CYS N 1.0 2.7 3.3 3 3 A 15 TYR H A 11 CYS O 1.0 1.8 2.3 4 4 A 11 CYS O A 15 TYR N 1.0 2.7 3.3 5 5 A 21 ALA H A 30 SER O 1.0 1.8 2.3 6 6 A 30 SER O A 21 ALA N 1.0 2.7 3.3 7 7 A 22 VAL H A 56 GLU O 1.0 1.8 2.3 8 8 A 56 GLU O A 22 VAL N 1.0 2.7 3.3 9 9 A 23 PHE H A 28 HIS O 1.0 1.8 2.3 10 10 A 28 HIS O A 23 PHE N 1.0 2.7 3.3 11 11 A 24 GLN H A 54 SER O 1.0 1.8 2.3 12 12 A 54 SER O A 24 GLN N 1.0 2.7 3.3 13 13 A 27 GLY H A 23 PHE O 1.0 1.8 2.3 14 14 A 23 PHE O A 27 GLY N 1.0 2.7 3.3 15 15 A 30 SER H A 21 ALA O 1.0 1.8 2.3 16 16 A 21 ALA O A 30 SER N 1.0 2.7 3.3 17 17 A 36 ASN H A 32 LYS O 1.0 1.8 2.3 18 18 A 32 LYS O A 36 ASN N 1.0 2.7 3.3 19 19 A 37 GLN H A 33 ALA O 1.0 1.8 2.3 20 20 A 33 ALA O A 37 GLN N 1.0 2.7 3.3 21 21 A 38 HIS H A 34 CYS O 1.0 1.8 2.3 22 22 A 34 CYS O A 38 HIS N 1.0 2.7 3.3 23 23 A 39 LEU H A 35 ILE O 1.0 1.8 2.3 24 24 A 35 ILE O A 39 LEU N 1.0 2.7 3.3 25 25 A 42 ASN H A 38 HIS O 1.0 1.8 2.3 26 26 A 38 HIS O A 42 ASN N 1.0 2.7 3.3 27 27 A 45 CYS H A 50 THR O 1.0 1.8 2.3 28 28 A 50 THR O A 45 CYS N 1.0 2.7 3.3 29 29 A 52 ILE H A 43 LYS O 1.0 1.8 2.3 30 30 A 43 LYS O A 52 ILE N 1.0 2.7 3.3 31 31 A 56 GLU H A 22 VAL O 1.0 1.8 2.3 32 32 A 22 VAL O A 56 GLU N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 ASP C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -145.2 -56.6 PHI 2 2 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 CYS N 1.0 103.0 170.2 PSI 3 3 A 12 PRO C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -127.0 -66.4 PHI 4 4 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 CYS N 1.0 -67.6 19.0 PSI 5 5 A 15 TYR C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -100.4 -60.4 PHI 6 6 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 HIS N 1.0 -48.6 3.2 PSI 7 7 A 16 ALA C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -164.6 -102.2 PHI 8 8 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 PRO N 1.0 36.8 176.8 PSI 9 9 A 20 SER C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -174.6 -99.0 PHI 10 10 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 VAL N 1.0 134.5 174.5 PSI 11 11 A 21 ALA C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -158.9 -102.7 PHI 12 12 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 PHE N 1.0 105.7 167.1 PSI 13 13 A 23 PHE C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -133.4 -47.8 PHI 14 14 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 PRO N 1.0 91.8 186.6 PSI 15 15 A 28 HIS C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -231.1 -91.1 PHI 16 16 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 SER N 1.0 115.7 198.9 PSI 17 17 A 31 CYS C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -81.6 -41.6 PHI 18 18 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ALA N 1.0 -55.4 -15.4 PSI 19 19 A 32 LYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -83.7 -43.7 PHI 20 20 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 CYS N 1.0 -58.9 -18.7 PSI 21 21 A 34 CYS C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -92.0 -52.0 PHI 22 22 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ASN N 1.0 -53.7 -10.3 PSI 23 23 A 35 ILE C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -80.2 -40.2 PHI 24 24 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 GLN N 1.0 -62.4 -22.4 PSI 25 25 A 36 ASN C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -83.8 -43.8 PHI 26 26 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 HIS N 1.0 -62.1 -22.1 PSI 27 27 A 37 GLN C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -86.3 -46.3 PHI 28 28 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 LEU N 1.0 -63.0 -23.0 PSI 29 29 A 38 HIS C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -115.1 -31.5 PHI 30 30 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 MET N 1.0 -49.4 1.4 PSI 31 31 A 39 LEU C A 40 MET N A 40 MET CA A 40 MET C 1.0 -86.6 -45.0 PHI 32 32 A 40 MET N A 40 MET CA A 40 MET C A 41 ASN N 1.0 -56.1 -16.1 PSI 33 33 A 41 ASN C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -208.4 -68.4 PHI 34 34 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 LYS N 1.0 146.3 191.7 PSI 35 35 A 43 LYS C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -173.5 -57.7 PHI 36 36 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 CYS N 1.0 117.0 174.6 PSI 37 37 A 49 LYS C A 50 THR N A 50 THR CA A 50 THR C 1.0 -104.8 -52.4 PHI 38 38 A 50 THR N A 50 THR CA A 50 THR C A 51 THR N 1.0 100.6 152.8 PSI 39 39 A 51 THR C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -166.4 -53.2 PHI 40 40 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 VAL N 1.0 84.5 168.1 PSI 41 41 A 52 ILE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -121.8 -67.6 PHI 42 42 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 SER N 1.0 -56.7 -2.9 PSI 43 43 A 53 VAL C A 54 SER N A 54 SER CA A 54 SER C 1.0 -182.9 -135.9 PHI 44 44 A 54 SER N A 54 SER CA A 54 SER C A 55 VAL N 1.0 136.8 176.8 PSI 45 45 A 54 SER C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -157.1 -86.1 PHI 46 46 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 GLU N 1.0 106.0 146.0 PSI 47 47 A 55 VAL C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -164.4 -68.4 PHI 48 48 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 ASP N 1.0 98.2 191.4 PSI 49 49 A 57 ASP C A 58 TRP N A 58 TRP CA A 58 TRP C 1.0 -148.2 -60.6 PHI 50 50 A 58 TRP N A 58 TRP CA A 58 TRP C A 59 GLU N 1.0 78.9 187.5 PSI 51 51 A 58 TRP C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -164.9 -50.7 PHI 52 52 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 LYS N 1.0 114.3 158.3 PSI stop_ save_ save_Nnoesy_NUS _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_NUS _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 22 2 1H 11.4 3 1H 15 stop_ save_ save_NUS_Cnoesy_both _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode NUS_Cnoesy_both _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 65 2 1H 11.5 3 1H 15 stop_ save_