data_nef_c18551_2lv2 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 75 HIS ND1 2 2 ZN ZN 1 80 HIS ND1 2 2 ZN ZN 1 52 HIS ND1 2 1 ZN ZN 1 47 HIS ND1 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 31 CYS SG 2 1 ZN ZN 1 59 CYS SG 2 2 ZN ZN 1 62 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 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 GLY middle . false 13 A 13 ASP middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 GLY middle . false 17 A 17 ALA middle . . 18 A 18 GLY middle . false 19 A 19 VAL middle . . 20 A 20 LEU middle . . 21 A 21 GLY middle . false 22 A 22 LEU middle . . 23 A 23 SER middle . . 24 A 24 ALA middle . . 25 A 25 SER middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 CYS middle . . 29 A 29 HIS middle . . 30 A 30 LEU middle . . 31 A 31 CYS middle -HG . 32 A 32 PRO middle . false 33 A 33 VAL middle . . 34 A 34 CYS middle -HG . 35 A 35 GLY middle . false 36 A 36 GLU middle . . 37 A 37 SER middle . . 38 A 38 PHE middle . . 39 A 39 ALA middle . . 40 A 40 SER middle . . 41 A 41 LYS middle . . 42 A 42 GLY middle . false 43 A 43 ALA middle . . 44 A 44 GLN middle . . 45 A 45 GLU middle . . 46 A 46 ARG middle . . 47 A 47 HIS middle -HD1 . 48 A 48 LEU middle . . 49 A 49 ARG middle . . 50 A 50 LEU middle . . 51 A 51 LEU middle . . 52 A 52 HIS middle -HD1 . 53 A 53 ALA middle . . 54 A 54 ALA middle . . 55 A 55 GLN middle . . 56 A 56 VAL middle . . 57 A 57 PHE middle . . 58 A 58 PRO middle . false 59 A 59 CYS middle -HG . 60 A 60 LYS middle . . 61 A 61 TYR middle . . 62 A 62 CYS middle -HG . 63 A 63 PRO middle . false 64 A 64 ALA middle . . 65 A 65 THR middle . . 66 A 66 PHE middle . . 67 A 67 TYR middle . . 68 A 68 SER middle . . 69 A 69 SER middle . . 70 A 70 PRO middle . false 71 A 71 GLY middle . false 72 A 72 LEU middle . . 73 A 73 THR middle . . 74 A 74 ARG middle . . 75 A 75 HIS middle -HD1 . 76 A 76 ILE middle . . 77 A 77 ASN middle . . 78 A 78 LYS middle . . 79 A 79 CYS middle . . 80 A 80 HIS middle -HD1 . 81 A 81 PRO middle . false 82 A 82 SER middle . . 83 A 83 GLU middle . . 84 A 84 ASN middle . . 85 A 85 ARG end . . 86 B 1 ZN . . . 87 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 11 MET HA H 1 4.44 0.02 A 11 MET HBy H 1 2.06 0.02 A 11 MET HBx H 1 1.94 0.02 A 11 MET HGy H 1 2.49 0.02 A 11 MET HGx H 1 2.4 0.02 A 11 MET C C 13 176.6 0.2 A 11 MET CA C 13 55.6 0.2 A 11 MET CB C 13 32.7 0.2 A 11 MET CG C 13 32 0.2 A 12 GLY H H 1 8.34 0.02 A 12 GLY HAx H 1 3.96 0.02 A 12 GLY HAy H 1 3.96 0.02 A 12 GLY C C 13 173.9 0.2 A 12 GLY CA C 13 45.3 0.2 A 12 GLY N N 15 110 0.2 A 13 ASP H H 1 8.29 0.02 A 13 ASP HA H 1 4.64 0.02 A 13 ASP HBx H 1 2.69 0.02 A 13 ASP HBy H 1 2.69 0.02 A 13 ASP C C 13 176.9 0.2 A 13 ASP CA C 13 54.5 0.2 A 13 ASP CB C 13 41.4 0.2 A 13 ASP N N 15 120.5 0.2 A 14 GLY H H 1 8.42 0.02 A 14 GLY HAx H 1 3.95 0.02 A 14 GLY HAy H 1 3.95 0.02 A 14 GLY C C 13 174.5 0.2 A 14 GLY CA C 13 45.5 0.2 A 14 GLY N N 15 109.3 0.2 A 15 GLU H H 1 8.34 0.02 A 15 GLU HA H 1 4.28 0.02 A 15 GLU HBy H 1 2.07 0.02 A 15 GLU HBx H 1 1.95 0.02 A 15 GLU HGx H 1 2.24 0.02 A 15 GLU HGy H 1 2.24 0.02 A 15 GLU C C 13 177.2 0.2 A 15 GLU CA C 13 56.8 0.2 A 15 GLU CB C 13 30.1 0.2 A 15 GLU CG C 13 36.3 0.2 A 15 GLU N N 15 120.6 0.2 A 16 GLY H H 1 8.48 0.02 A 16 GLY HAx H 1 3.93 0.02 A 16 GLY HAy H 1 3.93 0.02 A 16 GLY C C 13 174.1 0.2 A 16 GLY CA C 13 45.5 0.2 A 16 GLY N N 15 109.9 0.2 A 17 ALA H H 1 8.16 0.02 A 17 ALA HA H 1 4.3 0.02 A 17 ALA HB% H 1 1.39 0.02 A 17 ALA C C 13 178.3 0.2 A 17 ALA CA C 13 52.8 0.2 A 17 ALA CB C 13 19.3 0.2 A 17 ALA N N 15 123.5 0.2 A 18 GLY H H 1 8.38 0.02 A 18 GLY HAx H 1 3.93 0.02 A 18 GLY HAy H 1 3.93 0.02 A 18 GLY C C 13 174.4 0.2 A 18 GLY CA C 13 45.4 0.2 A 18 GLY N N 15 108 0.2 A 19 VAL H H 1 7.93 0.02 A 19 VAL HA H 1 4.09 0.02 A 19 VAL HB H 1 2.09 0.02 A 19 VAL HG1% H 1 0.91 0.02 A 19 VAL HG2% H 1 0.9 0.02 A 19 VAL C C 13 176.4 0.2 A 19 VAL CA C 13 62.5 0.2 A 19 VAL CB C 13 32.5 0.2 A 19 VAL CG1 C 13 21.3 0.2 A 19 VAL CG2 C 13 20.6 0.2 A 19 VAL N N 15 119.1 0.2 A 20 LEU H H 1 8.29 0.02 A 20 LEU HA H 1 4.33 0.02 A 20 LEU HBy H 1 1.68 0.02 A 20 LEU HBx H 1 1.58 0.02 A 20 LEU HD1% H 1 0.9 0.02 A 20 LEU HD2% H 1 0.85 0.02 A 20 LEU HG H 1 1.62 0.02 A 20 LEU C C 13 177.9 0.2 A 20 LEU CA C 13 55.4 0.2 A 20 LEU CB C 13 42.2 0.2 A 20 LEU CD1 C 13 24.9 0.2 A 20 LEU CD2 C 13 23.4 0.2 A 20 LEU CG C 13 27 0.2 A 20 LEU N N 15 125.1 0.2 A 21 GLY H H 1 8.3 0.02 A 21 GLY HAx H 1 3.92 0.02 A 21 GLY HAy H 1 3.92 0.02 A 21 GLY C C 13 174.2 0.2 A 21 GLY CA C 13 45.4 0.2 A 21 GLY N N 15 109.3 0.2 A 22 LEU H H 1 8.05 0.02 A 22 LEU HA H 1 4.37 0.02 A 22 LEU HBx H 1 1.61 0.02 A 22 LEU HBy H 1 1.61 0.02 A 22 LEU HD1% H 1 0.9 0.02 A 22 LEU HD2% H 1 0.85 0.02 A 22 LEU HG H 1 1.62 0.02 A 22 LEU C C 13 177.6 0.2 A 22 LEU CA C 13 55.2 0.2 A 22 LEU CB C 13 42.5 0.2 A 22 LEU CD1 C 13 25 0.2 A 22 LEU CD2 C 13 23.4 0.2 A 22 LEU CG C 13 26.9 0.2 A 22 LEU N N 15 121.6 0.2 A 23 SER H H 1 8.32 0.02 A 23 SER HA H 1 4.44 0.02 A 23 SER HBx H 1 3.87 0.02 A 23 SER HBy H 1 3.87 0.02 A 23 SER C C 13 174.3 0.2 A 23 SER CA C 13 58.3 0.2 A 23 SER CB C 13 63.8 0.2 A 23 SER N N 15 116.5 0.2 A 24 ALA H H 1 8.32 0.02 A 24 ALA HA H 1 4.35 0.02 A 24 ALA HB% H 1 1.4 0.02 A 24 ALA C C 13 177.7 0.2 A 24 ALA CA C 13 52.7 0.2 A 24 ALA CB C 13 19.4 0.2 A 24 ALA N N 15 126 0.2 A 25 SER H H 1 8.21 0.02 A 25 SER HA H 1 4.43 0.02 A 25 SER HBx H 1 3.87 0.02 A 25 SER HBy H 1 3.87 0.02 A 25 SER C C 13 174.2 0.2 A 25 SER CA C 13 58.2 0.2 A 25 SER CB C 13 63.9 0.2 A 25 SER N N 15 114.7 0.2 A 26 ALA H H 1 8.24 0.02 A 26 ALA HA H 1 4.34 0.02 A 26 ALA HB% H 1 1.39 0.02 A 26 ALA C C 13 177.4 0.2 A 26 ALA CA C 13 52.5 0.2 A 26 ALA CB C 13 19.4 0.2 A 26 ALA N N 15 125.9 0.2 A 27 GLU H H 1 8.3 0.02 A 27 GLU HA H 1 4.24 0.02 A 27 GLU HBy H 1 1.96 0.02 A 27 GLU HBx H 1 1.91 0.02 A 27 GLU HGx H 1 2.17 0.02 A 27 GLU HGy H 1 2.17 0.02 A 27 GLU C C 13 175.4 0.2 A 27 GLU CA C 13 56.2 0.2 A 27 GLU CB C 13 30.7 0.2 A 27 GLU CG C 13 36.3 0.2 A 27 GLU N N 15 120.1 0.2 A 28 CYS H H 1 7.98 0.02 A 28 CYS HA H 1 4.59 0.02 A 28 CYS HBx H 1 2.69 0.02 A 28 CYS HBy H 1 2.69 0.02 A 28 CYS C C 13 173 0.2 A 28 CYS CA C 13 57.9 0.2 A 28 CYS CB C 13 28.7 0.2 A 28 CYS N N 15 119.4 0.2 A 29 HIS H H 1 8.79 0.02 A 29 HIS HA H 1 4.64 0.02 A 29 HIS HBy H 1 2.81 0.02 A 29 HIS HBx H 1 2.75 0.02 A 29 HIS C C 13 174.7 0.2 A 29 HIS CA C 13 55.3 0.2 A 29 HIS CB C 13 32.4 0.2 A 29 HIS N N 15 124.5 0.2 A 30 LEU H H 1 8.75 0.02 A 30 LEU HA H 1 5.07 0.02 A 30 LEU HBy H 1 1.58 0.02 A 30 LEU HBx H 1 1.22 0.02 A 30 LEU HD1% H 1 0.81 0.02 A 30 LEU HD2% H 1 0.73 0.02 A 30 LEU HG H 1 1.55 0.02 A 30 LEU C C 13 178.5 0.2 A 30 LEU CA C 13 53.8 0.2 A 30 LEU CB C 13 43.7 0.2 A 30 LEU CD1 C 13 24.9 0.2 A 30 LEU CD2 C 13 23.9 0.2 A 30 LEU CG C 13 27.4 0.2 A 30 LEU N N 15 123.9 0.2 A 31 CYS H H 1 9.59 0.02 A 31 CYS HA H 1 4.81 0.02 A 31 CYS HBy H 1 3.4 0.02 A 31 CYS HBx H 1 2.99 0.02 A 31 CYS CA C 13 57.1 0.2 A 31 CYS CB C 13 30.3 0.2 A 31 CYS N N 15 126.7 0.2 A 32 PRO HA H 1 4.46 0.02 A 32 PRO HBy H 1 2.27 0.02 A 32 PRO HBx H 1 1.9 0.02 A 32 PRO HDy H 1 4.23 0.02 A 32 PRO HDx H 1 4 0.02 A 32 PRO HGy H 1 2.01 0.02 A 32 PRO HGx H 1 1.75 0.02 A 32 PRO C C 13 176 0.2 A 32 PRO CA C 13 64 0.2 A 32 PRO CB C 13 32.2 0.2 A 32 PRO CD C 13 51.5 0.2 A 32 PRO CG C 13 26.8 0.2 A 33 VAL H H 1 8.82 0.02 A 33 VAL HA H 1 3.81 0.02 A 33 VAL HB H 1 0.88 0.02 A 33 VAL HG1% H 1 0.45 0.02 A 33 VAL HG2% H 1 0.59 0.02 A 33 VAL C C 13 176.7 0.2 A 33 VAL CA C 13 64.8 0.2 A 33 VAL CB C 13 32.7 0.2 A 33 VAL CG1 C 13 21 0.2 A 33 VAL CG2 C 13 21.4 0.2 A 33 VAL N N 15 122 0.2 A 34 CYS H H 1 8.46 0.02 A 34 CYS HA H 1 5.17 0.02 A 34 CYS HBy H 1 3.54 0.02 A 34 CYS HBx H 1 2.89 0.02 A 34 CYS C C 13 176.8 0.2 A 34 CYS CA C 13 58.5 0.2 A 34 CYS CB C 13 32.7 0.2 A 34 CYS N N 15 117.1 0.2 A 35 GLY H H 1 7.97 0.02 A 35 GLY HAy H 1 4.2 0.02 A 35 GLY HAx H 1 3.8 0.02 A 35 GLY C C 13 173.2 0.2 A 35 GLY CA C 13 46.4 0.2 A 35 GLY N N 15 112.5 0.2 A 36 GLU H H 1 7.91 0.02 A 36 GLU HA H 1 3.99 0.02 A 36 GLU HBy H 1 1.86 0.02 A 36 GLU HBx H 1 1.42 0.02 A 36 GLU HGy H 1 2.17 0.02 A 36 GLU HGx H 1 1.85 0.02 A 36 GLU C C 13 173.8 0.2 A 36 GLU CA C 13 57.9 0.2 A 36 GLU CB C 13 30.5 0.2 A 36 GLU CG C 13 36.8 0.2 A 36 GLU N N 15 122.5 0.2 A 37 SER H H 1 7.99 0.02 A 37 SER HA H 1 4.82 0.02 A 37 SER HBx H 1 3.54 0.02 A 37 SER HBy H 1 3.54 0.02 A 37 SER C C 13 173.3 0.2 A 37 SER CA C 13 57.2 0.2 A 37 SER CB C 13 65.3 0.2 A 37 SER N N 15 116.3 0.2 A 38 PHE H H 1 8.4 0.02 A 38 PHE HA H 1 4.65 0.02 A 38 PHE HBy H 1 3.28 0.02 A 38 PHE HBx H 1 2.88 0.02 A 38 PHE HDx H 1 7.21 0.02 A 38 PHE HDy H 1 7.21 0.02 A 38 PHE HEx H 1 6.8 0.02 A 38 PHE HEy H 1 6.8 0.02 A 38 PHE HZ H 1 5.82 0.02 A 38 PHE CA C 13 57.4 0.2 A 38 PHE CB C 13 44 0.2 A 38 PHE CDx C 13 131.9 0.2 A 38 PHE CDy C 13 131.9 0.2 A 38 PHE CEx C 13 130.8 0.2 A 38 PHE CEy C 13 130.8 0.2 A 38 PHE CZ C 13 128.5 0.2 A 38 PHE N N 15 120 0.2 A 39 ALA HA H 1 4.59 0.02 A 39 ALA HB% H 1 1.53 0.02 A 39 ALA C C 13 176.7 0.2 A 39 ALA CA C 13 52.7 0.2 A 39 ALA CB C 13 19.4 0.2 A 40 SER H H 1 7.4 0.02 A 40 SER HA H 1 4.56 0.02 A 40 SER HBy H 1 4.07 0.02 A 40 SER HBx H 1 3.92 0.02 A 40 SER C C 13 173.4 0.2 A 40 SER CA C 13 56.1 0.2 A 40 SER CB C 13 66.4 0.2 A 40 SER N N 15 107.5 0.2 A 41 LYS H H 1 8.73 0.02 A 41 LYS HA H 1 3.44 0.02 A 41 LYS HBy H 1 1.64 0.02 A 41 LYS HBx H 1 1.35 0.02 A 41 LYS HDy H 1 1.68 0.02 A 41 LYS HDx H 1 1.54 0.02 A 41 LYS HEx H 1 2.99 0.02 A 41 LYS HEy H 1 2.99 0.02 A 41 LYS HGx H 1 1.25 0.02 A 41 LYS HGy H 1 1.25 0.02 A 41 LYS C C 13 178.6 0.2 A 41 LYS CA C 13 58.2 0.2 A 41 LYS CB C 13 32.1 0.2 A 41 LYS CD C 13 28.7 0.2 A 41 LYS CE C 13 42.4 0.2 A 41 LYS CG C 13 24.3 0.2 A 41 LYS N N 15 124.4 0.2 A 42 GLY H H 1 8.6 0.02 A 42 GLY HAx H 1 3.79 0.02 A 42 GLY HAy H 1 3.79 0.02 A 42 GLY C C 13 176.7 0.2 A 42 GLY CA C 13 46.9 0.2 A 42 GLY N N 15 105.9 0.2 A 43 ALA H H 1 7.62 0.02 A 43 ALA HA H 1 4.05 0.02 A 43 ALA HB% H 1 1.57 0.02 A 43 ALA C C 13 179.7 0.2 A 43 ALA CA C 13 54.7 0.2 A 43 ALA CB C 13 18.8 0.2 A 43 ALA N N 15 123.5 0.2 A 44 GLN H H 1 7.31 0.02 A 44 GLN HA H 1 2.6 0.02 A 44 GLN HBy H 1 2.59 0.02 A 44 GLN HBx H 1 1.76 0.02 A 44 GLN HE21 H 1 7.11 0.02 A 44 GLN HE22 H 1 6.88 0.02 A 44 GLN HGy H 1 2.11 0.02 A 44 GLN HGx H 1 1.92 0.02 A 44 GLN C C 13 177.5 0.2 A 44 GLN CA C 13 59.4 0.2 A 44 GLN CB C 13 27.6 0.2 A 44 GLN CG C 13 32 0.2 A 44 GLN N N 15 121.8 0.2 A 44 GLN NE2 N 15 108.6 0.2 A 45 GLU H H 1 8.59 0.02 A 45 GLU HA H 1 3.77 0.02 A 45 GLU HBy H 1 2.08 0.02 A 45 GLU HBx H 1 1.93 0.02 A 45 GLU HGy H 1 2.52 0.02 A 45 GLU HGx H 1 2.1 0.02 A 45 GLU C C 13 179 0.2 A 45 GLU CA C 13 59.9 0.2 A 45 GLU CB C 13 29.4 0.2 A 45 GLU CG C 13 37.1 0.2 A 45 GLU N N 15 120.2 0.2 A 46 ARG H H 1 7.93 0.02 A 46 ARG HA H 1 3.9 0.02 A 46 ARG HBy H 1 1.82 0.02 A 46 ARG HBx H 1 1.74 0.02 A 46 ARG HDy H 1 3.21 0.02 A 46 ARG HDx H 1 3.15 0.02 A 46 ARG HGy H 1 1.74 0.02 A 46 ARG HGx H 1 1.55 0.02 A 46 ARG C C 13 177.8 0.2 A 46 ARG CA C 13 59.6 0.2 A 46 ARG CB C 13 30.1 0.2 A 46 ARG CD C 13 43.4 0.2 A 46 ARG CG C 13 27.9 0.2 A 46 ARG N N 15 119.9 0.2 A 47 HIS H H 1 7.39 0.02 A 47 HIS HA H 1 4.14 0.02 A 47 HIS HBy H 1 2.98 0.02 A 47 HIS HBx H 1 2.76 0.02 A 47 HIS HD2 H 1 7.14 0.02 A 47 HIS HE1 H 1 8.04 0.02 A 47 HIS C C 13 176.3 0.2 A 47 HIS CA C 13 59.6 0.2 A 47 HIS CB C 13 27.9 0.2 A 47 HIS CD2 C 13 127.6 0.2 A 47 HIS CE1 C 13 139.7 0.2 A 47 HIS N N 15 118.2 0.2 A 47 HIS ND1 N 15 174.5 0.2 A 47 HIS NE2 N 15 214.2 0.2 A 48 LEU H H 1 8.23 0.02 A 48 LEU HA H 1 3.81 0.02 A 48 LEU HBy H 1 1.92 0.02 A 48 LEU HBx H 1 1.62 0.02 A 48 LEU HD1% H 1 0.93 0.02 A 48 LEU HD2% H 1 1.02 0.02 A 48 LEU HG H 1 1.82 0.02 A 48 LEU C C 13 178.5 0.2 A 48 LEU CA C 13 59.2 0.2 A 48 LEU CB C 13 42.7 0.2 A 48 LEU CD1 C 13 25.6 0.2 A 48 LEU CD2 C 13 25.7 0.2 A 48 LEU CG C 13 27.7 0.2 A 48 LEU N N 15 120 0.2 A 49 ARG H H 1 7.63 0.02 A 49 ARG HA H 1 3.9 0.02 A 49 ARG HBx H 1 1.83 0.02 A 49 ARG HBy H 1 1.83 0.02 A 49 ARG HDx H 1 3.17 0.02 A 49 ARG HDy H 1 3.17 0.02 A 49 ARG HGx H 1 1.55 0.02 A 49 ARG HGy H 1 1.55 0.02 A 49 ARG C C 13 177.6 0.2 A 49 ARG CA C 13 58.7 0.2 A 49 ARG CB C 13 30.5 0.2 A 49 ARG CD C 13 43.4 0.2 A 49 ARG CG C 13 27.9 0.2 A 49 ARG N N 15 115.4 0.2 A 50 LEU H H 1 7.86 0.02 A 50 LEU HA H 1 4.2 0.02 A 50 LEU HBy H 1 1.64 0.02 A 50 LEU HBx H 1 1.46 0.02 A 50 LEU HD1% H 1 0.83 0.02 A 50 LEU HD2% H 1 0.82 0.02 A 50 LEU HG H 1 1.61 0.02 A 50 LEU C C 13 179 0.2 A 50 LEU CA C 13 56.8 0.2 A 50 LEU CB C 13 42.7 0.2 A 50 LEU CD1 C 13 24.3 0.2 A 50 LEU CD2 C 13 23.6 0.2 A 50 LEU CG C 13 27 0.2 A 50 LEU N N 15 117.2 0.2 A 51 LEU H H 1 8.18 0.02 A 51 LEU HA H 1 4.27 0.02 A 51 LEU HBy H 1 0.63 0.02 A 51 LEU HBx H 1 0.58 0.02 A 51 LEU HD1% H 1 0.78 0.02 A 51 LEU HD2% H 1 0.75 0.02 A 51 LEU HG H 1 1.43 0.02 A 51 LEU C C 13 178.1 0.2 A 51 LEU CA C 13 55 0.2 A 51 LEU CB C 13 41.2 0.2 A 51 LEU CD1 C 13 24.3 0.2 A 51 LEU CD2 C 13 23.6 0.2 A 51 LEU CG C 13 28.1 0.2 A 51 LEU N N 15 117.8 0.2 A 52 HIS H H 1 7.16 0.02 A 52 HIS HA H 1 5.36 0.02 A 52 HIS HBy H 1 3.39 0.02 A 52 HIS HBx H 1 3.28 0.02 A 52 HIS HD2 H 1 6.78 0.02 A 52 HIS HE1 H 1 8.09 0.02 A 52 HIS C C 13 175 0.2 A 52 HIS CA C 13 52.8 0.2 A 52 HIS CB C 13 28.9 0.2 A 52 HIS CD2 C 13 128.5 0.2 A 52 HIS CE1 C 13 139.8 0.2 A 52 HIS N N 15 115.3 0.2 A 52 HIS ND1 N 15 172.6 0.2 A 52 HIS NE2 N 15 211.9 0.2 A 53 ALA H H 1 7.63 0.02 A 53 ALA HA H 1 4.07 0.02 A 53 ALA HB% H 1 1.44 0.02 A 53 ALA C C 13 178.3 0.2 A 53 ALA CA C 13 54.6 0.2 A 53 ALA CB C 13 18.6 0.2 A 53 ALA N N 15 122.1 0.2 A 54 ALA H H 1 8.18 0.02 A 54 ALA HA H 1 4.29 0.02 A 54 ALA HB% H 1 1.39 0.02 A 54 ALA C C 13 177.7 0.2 A 54 ALA CA C 13 52.8 0.2 A 54 ALA CB C 13 19 0.2 A 54 ALA N N 15 118.2 0.2 A 55 GLN H H 1 8.1 0.02 A 55 GLN HA H 1 4.38 0.02 A 55 GLN HBy H 1 2.22 0.02 A 55 GLN HBx H 1 2.03 0.02 A 55 GLN HE21 H 1 7.54 0.02 A 55 GLN HE22 H 1 6.89 0.02 A 55 GLN HGy H 1 2.31 0.02 A 55 GLN HGx H 1 2.26 0.02 A 55 GLN C C 13 173.7 0.2 A 55 GLN CA C 13 55.5 0.2 A 55 GLN CB C 13 30.3 0.2 A 55 GLN CG C 13 34.5 0.2 A 55 GLN N N 15 118.2 0.2 A 55 GLN NE2 N 15 112.5 0.2 A 56 VAL H H 1 7.15 0.02 A 56 VAL HA H 1 4.41 0.02 A 56 VAL HB H 1 1.9 0.02 A 56 VAL HG1% H 1 0.77 0.02 A 56 VAL HG2% H 1 0.76 0.02 A 56 VAL C C 13 174.5 0.2 A 56 VAL CA C 13 60.9 0.2 A 56 VAL CB C 13 33.9 0.2 A 56 VAL CG1 C 13 21.3 0.2 A 56 VAL CG2 C 13 20.1 0.2 A 56 VAL N N 15 115.3 0.2 A 57 PHE H H 1 8.78 0.02 A 57 PHE HA H 1 4.83 0.02 A 57 PHE HBy H 1 2.92 0.02 A 57 PHE HBx H 1 2.69 0.02 A 57 PHE HDx H 1 7.03 0.02 A 57 PHE HDy H 1 7.03 0.02 A 57 PHE HEx H 1 7.25 0.02 A 57 PHE HEy H 1 7.25 0.02 A 57 PHE HZ H 1 7.28 0.02 A 57 PHE CA C 13 55.2 0.2 A 57 PHE CB C 13 40 0.2 A 57 PHE CDx C 13 131.9 0.2 A 57 PHE CDy C 13 131.9 0.2 A 57 PHE CEx C 13 131.7 0.2 A 57 PHE CEy C 13 131.7 0.2 A 57 PHE CZ C 13 129.6 0.2 A 57 PHE N N 15 122.7 0.2 A 58 PRO HA H 1 4.72 0.02 A 58 PRO HBy H 1 2.1 0.02 A 58 PRO HBx H 1 1.92 0.02 A 58 PRO HDy H 1 3.79 0.02 A 58 PRO HDx H 1 3.56 0.02 A 58 PRO HGy H 1 2.1 0.02 A 58 PRO HGx H 1 1.86 0.02 A 58 PRO C C 13 175.7 0.2 A 58 PRO CA C 13 62.1 0.2 A 58 PRO CB C 13 32.3 0.2 A 58 PRO CD C 13 51 0.2 A 58 PRO CG C 13 26.7 0.2 A 59 CYS H H 1 8.6 0.02 A 59 CYS HA H 1 4.42 0.02 A 59 CYS HBy H 1 3.65 0.02 A 59 CYS HBx H 1 2.66 0.02 A 59 CYS C C 13 176.3 0.2 A 59 CYS CA C 13 60.8 0.2 A 59 CYS CB C 13 29.5 0.2 A 59 CYS N N 15 125.2 0.2 A 60 LYS H H 1 8.16 0.02 A 60 LYS HA H 1 4.16 0.02 A 60 LYS HBy H 1 1.24 0.02 A 60 LYS HBx H 1 1.14 0.02 A 60 LYS HDx H 1 1.48 0.02 A 60 LYS HDy H 1 1.48 0.02 A 60 LYS HEx H 1 2.87 0.02 A 60 LYS HEy H 1 2.87 0.02 A 60 LYS HGy H 1 1.08 0.02 A 60 LYS HGx H 1 0.84 0.02 A 60 LYS C C 13 176.8 0.2 A 60 LYS CA C 13 57.1 0.2 A 60 LYS CB C 13 32.4 0.2 A 60 LYS CD C 13 29.2 0.2 A 60 LYS CE C 13 41.9 0.2 A 60 LYS CG C 13 24.2 0.2 A 60 LYS N N 15 126.4 0.2 A 61 TYR H H 1 9.69 0.02 A 61 TYR HA H 1 4.51 0.02 A 61 TYR HBy H 1 2.66 0.02 A 61 TYR HBx H 1 1.14 0.02 A 61 TYR HDx H 1 6.91 0.02 A 61 TYR HDy H 1 6.91 0.02 A 61 TYR HEx H 1 6.76 0.02 A 61 TYR HEy H 1 6.76 0.02 A 61 TYR C C 13 174.3 0.2 A 61 TYR CA C 13 57.7 0.2 A 61 TYR CB C 13 38 0.2 A 61 TYR CDx C 13 133.0 0.2 A 61 TYR CDy C 13 133.0 0.2 A 61 TYR CEx C 13 118.2 0.2 A 61 TYR CEy C 13 118.2 0.2 A 61 TYR N N 15 121.9 0.2 A 62 CYS H H 1 8.22 0.02 A 62 CYS HA H 1 5.07 0.02 A 62 CYS HBy H 1 3.5 0.02 A 62 CYS HBx H 1 3.2 0.02 A 62 CYS CA C 13 58.2 0.2 A 62 CYS CB C 13 29.6 0.2 A 62 CYS N N 15 122.8 0.2 A 63 PRO HA H 1 4.57 0.02 A 63 PRO HBy H 1 2.34 0.02 A 63 PRO HBx H 1 1.94 0.02 A 63 PRO HDy H 1 3.84 0.02 A 63 PRO HDx H 1 3.58 0.02 A 63 PRO HGy H 1 2.01 0.02 A 63 PRO HGx H 1 1.91 0.02 A 63 PRO C C 13 176.5 0.2 A 63 PRO CA C 13 64.1 0.2 A 63 PRO CB C 13 31.9 0.2 A 63 PRO CD C 13 50.8 0.2 A 63 PRO CG C 13 27.6 0.2 A 64 ALA H H 1 8.56 0.02 A 64 ALA HA H 1 4.03 0.02 A 64 ALA HB% H 1 1.01 0.02 A 64 ALA C C 13 176.1 0.2 A 64 ALA CA C 13 53.9 0.2 A 64 ALA CB C 13 20.2 0.2 A 64 ALA N N 15 125.4 0.2 A 65 THR H H 1 7.61 0.02 A 65 THR HA H 1 4.44 0.02 A 65 THR HB H 1 3.6 0.02 A 65 THR HG2% H 1 0.9 0.02 A 65 THR C C 13 171.4 0.2 A 65 THR CA C 13 61.4 0.2 A 65 THR CB C 13 71.6 0.2 A 65 THR CG2 C 13 21.6 0.2 A 65 THR N N 15 113.2 0.2 A 66 PHE H H 1 7.65 0.02 A 66 PHE HA H 1 4.42 0.02 A 66 PHE HBy H 1 3.53 0.02 A 66 PHE HBx H 1 2.93 0.02 A 66 PHE HDx H 1 7.26 0.02 A 66 PHE HDy H 1 7.26 0.02 A 66 PHE HEx H 1 6.8 0.02 A 66 PHE HEy H 1 6.8 0.02 A 66 PHE HZ H 1 6.54 0.02 A 66 PHE CA C 13 57.2 0.2 A 66 PHE CB C 13 42.7 0.2 A 66 PHE CDx C 13 131.2 0.2 A 66 PHE CDy C 13 131.2 0.2 A 66 PHE CEx C 13 131.1 0.2 A 66 PHE CEy C 13 131.1 0.2 A 66 PHE CZ C 13 129.5 0.2 A 66 PHE N N 15 120.9 0.2 A 67 TYR HA H 1 5.28 0.02 A 67 TYR HBy H 1 3.53 0.02 A 67 TYR HBx H 1 2.83 0.02 A 67 TYR HDx H 1 7.19 0.02 A 67 TYR HDy H 1 7.19 0.02 A 67 TYR HEx H 1 6.69 0.02 A 67 TYR HEy H 1 6.69 0.02 A 67 TYR C C 13 174.8 0.2 A 67 TYR CA C 13 57.8 0.2 A 67 TYR CB C 13 38.5 0.2 A 67 TYR CDx C 13 133.1 0.2 A 67 TYR CDy C 13 133.1 0.2 A 67 TYR CEx C 13 118.2 0.2 A 67 TYR CEy C 13 118.2 0.2 A 68 SER H H 1 7.68 0.02 A 68 SER HA H 1 4.44 0.02 A 68 SER HBx H 1 3.97 0.02 A 68 SER HBy H 1 3.97 0.02 A 68 SER C C 13 172.2 0.2 A 68 SER CA C 13 57 0.2 A 68 SER CB C 13 66.4 0.2 A 68 SER N N 15 112.8 0.2 A 69 SER H H 1 8.6 0.02 A 69 SER HA H 1 3.63 0.02 A 69 SER HBy H 1 3.67 0.02 A 69 SER HBx H 1 3.57 0.02 A 69 SER CA C 13 61.9 0.2 A 69 SER CB C 13 60.9 0.2 A 69 SER N N 15 117.8 0.2 A 70 PRO HA H 1 4.26 0.02 A 70 PRO HBy H 1 2.29 0.02 A 70 PRO HBx H 1 1.7 0.02 A 70 PRO HDy H 1 3.81 0.02 A 70 PRO HDx H 1 3.61 0.02 A 70 PRO HGy H 1 2.06 0.02 A 70 PRO HGx H 1 1.89 0.02 A 70 PRO C C 13 179 0.2 A 70 PRO CA C 13 65.7 0.2 A 70 PRO CB C 13 31 0.2 A 70 PRO CD C 13 50.2 0.2 A 70 PRO CG C 13 28.4 0.2 A 71 GLY H H 1 7.57 0.02 A 71 GLY HAy H 1 3.84 0.02 A 71 GLY HAx H 1 3.61 0.02 A 71 GLY C C 13 175.7 0.2 A 71 GLY CA C 13 46.7 0.2 A 71 GLY N N 15 105 0.2 A 72 LEU H H 1 7.24 0.02 A 72 LEU HA H 1 3.49 0.02 A 72 LEU HBy H 1 2.05 0.02 A 72 LEU HBx H 1 1.51 0.02 A 72 LEU HD1% H 1 1.16 0.02 A 72 LEU HD2% H 1 1.05 0.02 A 72 LEU HG H 1 1.63 0.02 A 72 LEU C C 13 177.9 0.2 A 72 LEU CA C 13 57.8 0.2 A 72 LEU CB C 13 40.3 0.2 A 72 LEU CD1 C 13 22.2 0.2 A 72 LEU CD2 C 13 26.2 0.2 A 72 LEU CG C 13 27.5 0.2 A 72 LEU N N 15 123.6 0.2 A 73 THR H H 1 8.49 0.02 A 73 THR HA H 1 3.71 0.02 A 73 THR HB H 1 4.11 0.02 A 73 THR HG2% H 1 1.19 0.02 A 73 THR C C 13 176.1 0.2 A 73 THR CA C 13 67.3 0.2 A 73 THR CB C 13 68.7 0.2 A 73 THR CG2 C 13 21.8 0.2 A 73 THR N N 15 117.1 0.2 A 74 ARG H H 1 8.05 0.02 A 74 ARG HA H 1 3.98 0.02 A 74 ARG HBy H 1 1.84 0.02 A 74 ARG HBx H 1 1.79 0.02 A 74 ARG HGy H 1 1.77 0.02 A 74 ARG HGx H 1 1.57 0.02 A 74 ARG C C 13 178.5 0.2 A 74 ARG CA C 13 59.6 0.2 A 74 ARG CB C 13 30.1 0.2 A 74 ARG CD C 13 43.6 0.2 A 74 ARG CG C 13 27.8 0.2 A 74 ARG N N 15 120.2 0.2 A 75 HIS H H 1 7.26 0.02 A 75 HIS HA H 1 4.27 0.02 A 75 HIS HBy H 1 3.16 0.02 A 75 HIS HBx H 1 2.67 0.02 A 75 HIS HD2 H 1 7.33 0.02 A 75 HIS HE1 H 1 7.99 0.02 A 75 HIS C C 13 176.9 0.2 A 75 HIS CA C 13 59.6 0.2 A 75 HIS CB C 13 28.9 0.2 A 75 HIS CD2 C 13 127.7 0.2 A 75 HIS CE1 C 13 140.1 0.2 A 75 HIS N N 15 118.7 0.2 A 75 HIS ND1 N 15 173.9 0.2 A 75 HIS NE2 N 15 218.7 0.2 A 76 ILE H H 1 8.83 0.02 A 76 ILE HA H 1 3.42 0.02 A 76 ILE HB H 1 1.98 0.02 A 76 ILE HD1% H 1 1.18 0.02 A 76 ILE HG1y H 1 2.2 0.02 A 76 ILE HG1x H 1 1.42 0.02 A 76 ILE HG2% H 1 1.03 0.02 A 76 ILE C C 13 177.8 0.2 A 76 ILE CA C 13 66.3 0.2 A 76 ILE CB C 13 38 0.2 A 76 ILE CD1 C 13 14.2 0.2 A 76 ILE CG1 C 13 30.6 0.2 A 76 ILE CG2 C 13 17.8 0.2 A 76 ILE N N 15 121.6 0.2 A 77 ASN H H 1 7.92 0.02 A 77 ASN HA H 1 4.27 0.02 A 77 ASN HBy H 1 2.79 0.02 A 77 ASN HBx H 1 2.73 0.02 A 77 ASN HD21 H 1 7.48 0.02 A 77 ASN HD22 H 1 6.88 0.02 A 77 ASN C C 13 176.4 0.2 A 77 ASN CA C 13 55.8 0.2 A 77 ASN CB C 13 38.4 0.2 A 77 ASN N N 15 115.9 0.2 A 77 ASN ND2 N 15 111.6 0.2 A 78 LYS H H 1 7.58 0.02 A 78 LYS HA H 1 4.17 0.02 A 78 LYS HBx H 1 1.86 0.02 A 78 LYS HBy H 1 1.86 0.02 A 78 LYS HDx H 1 1.67 0.02 A 78 LYS HDy H 1 1.67 0.02 A 78 LYS HEx H 1 2.98 0.02 A 78 LYS HEy H 1 2.98 0.02 A 78 LYS HGx H 1 1.45 0.02 A 78 LYS HGy H 1 1.45 0.02 A 78 LYS C C 13 178.4 0.2 A 78 LYS CA C 13 58.1 0.2 A 78 LYS CB C 13 34 0.2 A 78 LYS CD C 13 29 0.2 A 78 LYS CE C 13 42.2 0.2 A 78 LYS CG C 13 24.9 0.2 A 78 LYS N N 15 116.2 0.2 A 79 CYS H H 1 8.42 0.02 A 79 CYS HA H 1 4.09 0.02 A 79 CYS HBy H 1 2.13 0.02 A 79 CYS HBx H 1 1.31 0.02 A 79 CYS C C 13 174.2 0.2 A 79 CYS CA C 13 60.7 0.2 A 79 CYS CB C 13 28 0.2 A 79 CYS N N 15 113.9 0.2 A 80 HIS H H 1 8.14 0.02 A 80 HIS HA H 1 5.28 0.02 A 80 HIS HBy H 1 2.98 0.02 A 80 HIS HBx H 1 2.61 0.02 A 80 HIS HD2 H 1 6.63 0.02 A 80 HIS HE1 H 1 7.90 0.02 A 80 HIS CA C 13 51.7 0.2 A 80 HIS CB C 13 28.7 0.2 A 80 HIS CD2 C 13 128.5 0.2 A 80 HIS CE1 C 13 139.2 0.2 A 80 HIS N N 15 117 0.2 A 80 HIS ND1 N 15 174.0 0.2 A 80 HIS NE2 N 15 215.8 0.2 A 81 PRO HA H 1 4.32 0.02 A 81 PRO HBy H 1 2.33 0.02 A 81 PRO HBx H 1 1.97 0.02 A 81 PRO HDy H 1 3.44 0.02 A 81 PRO HDx H 1 3.09 0.02 A 81 PRO HGy H 1 1.92 0.02 A 81 PRO HGx H 1 1.88 0.02 A 81 PRO C C 13 178.1 0.2 A 81 PRO CA C 13 64.7 0.2 A 81 PRO CB C 13 31.5 0.2 A 81 PRO CD C 13 50.5 0.2 A 81 PRO CG C 13 27.5 0.2 A 82 SER H H 1 8.26 0.02 A 82 SER HA H 1 4.34 0.02 A 82 SER HBy H 1 3.89 0.02 A 82 SER HBx H 1 3.82 0.02 A 82 SER C C 13 174.9 0.2 A 82 SER CA C 13 59 0.2 A 82 SER CB C 13 63.3 0.2 A 82 SER N N 15 114.1 0.2 A 83 GLU H H 1 7.9 0.02 A 83 GLU HA H 1 4.23 0.02 A 83 GLU HBy H 1 1.89 0.02 A 83 GLU HBx H 1 1.53 0.02 A 83 GLU HGy H 1 1.89 0.02 A 83 GLU HGx H 1 1.53 0.02 A 83 GLU C C 13 176.3 0.2 A 83 GLU CA C 13 56.1 0.2 A 83 GLU CB C 13 29.4 0.2 A 83 GLU CG C 13 35.4 0.2 A 83 GLU N N 15 120.6 0.2 A 84 ASN H H 1 8.18 0.02 A 84 ASN HA H 1 4.71 0.02 A 84 ASN HBy H 1 2.85 0.02 A 84 ASN HBx H 1 2.65 0.02 A 84 ASN HD21 H 1 7.59 0.02 A 84 ASN HD22 H 1 6.85 0.02 A 84 ASN C C 13 174.1 0.2 A 84 ASN CA C 13 53.2 0.2 A 84 ASN CB C 13 39 0.2 A 84 ASN N N 15 119.1 0.2 A 84 ASN ND2 N 15 112.6 0.2 A 85 ARG H H 1 7.84 0.02 A 85 ARG HA H 1 4.17 0.02 A 85 ARG HBy H 1 1.85 0.02 A 85 ARG HBx H 1 1.72 0.02 A 85 ARG HDx H 1 3.15 0.02 A 85 ARG HDy H 1 3.15 0.02 A 85 ARG HGx H 1 1.57 0.02 A 85 ARG HGy H 1 1.57 0.02 A 85 ARG CA C 13 57.5 0.2 A 85 ARG CB C 13 31.6 0.2 A 85 ARG CD C 13 43.4 0.2 A 85 ARG CG C 13 27.2 0.2 A 85 ARG N N 15 126.5 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 12 GLY HAy A 13 ASP HBx 1.0 1.8 6.0 2 1 A 12 GLY HAx A 13 ASP HBx 1.0 1.8 6.0 3 1 A 13 ASP HBy A 12 GLY HAx 1.0 1.8 6.0 4 1 A 12 GLY HAy A 13 ASP HBy 1.0 1.8 6.0 5 2 A 13 ASP HBx A 14 GLY HAx 1.0 1.8 6.0 6 2 A 13 ASP HBy A 14 GLY HAx 1.0 1.8 6.0 7 2 A 14 GLY HAy A 13 ASP HBx 1.0 1.8 6.0 8 2 A 13 ASP HBy A 14 GLY HAy 1.0 1.8 6.0 9 3 A 15 GLU HA A 14 GLY HAx 1.0 1.8 5.0 10 3 A 14 GLY HAy A 15 GLU HA 1.0 1.8 5.0 11 4 A 15 GLU H A 15 GLU HGx 1.0 1.8 5.0 12 4 A 15 GLU H A 15 GLU HGy 1.0 1.8 5.0 13 5 A 15 GLU HBy A 15 GLU HGx 1.0 1.8 3.5 14 5 A 15 GLU HGy A 15 GLU HBy 1.0 1.8 3.5 15 6 A 15 GLU HBx A 15 GLU HGx 1.0 1.8 3.5 16 6 A 15 GLU HGy A 15 GLU HBx 1.0 1.8 3.5 17 7 A 15 GLU HA A 16 GLY HAx 1.0 1.8 6.0 18 7 A 15 GLU HA A 16 GLY HAy 1.0 1.8 6.0 19 8 A 17 ALA HB% A 16 GLY HAx 1.0 1.8 5.0 20 8 A 16 GLY HAy A 17 ALA HB% 1.0 1.8 5.0 21 9 A 17 ALA HB% A 18 GLY HAx 1.0 1.8 5.0 22 9 A 17 ALA HB% A 18 GLY HAy 1.0 1.8 5.0 23 10 A 19 VAL H A 18 GLY HAx 1.0 1.8 3.5 24 10 A 18 GLY HAy A 19 VAL H 1.0 1.8 3.5 25 11 A 19 VAL HG1% A 18 GLY HAx 1.0 1.8 5.0 26 11 A 18 GLY HAy A 19 VAL HG1% 1.0 1.8 5.0 27 12 A 19 VAL HG2% A 18 GLY HAx 1.0 1.8 5.0 28 12 A 18 GLY HAy A 19 VAL HG2% 1.0 1.8 5.0 29 13 A 19 VAL H A 19 VAL HG2% 1.0 1.8 5.0 30 14 A 19 VAL HG1% A 19 VAL HA 1.0 1.8 3.5 31 15 A 19 VAL HG2% A 19 VAL HA 1.0 1.8 3.5 32 16 A 19 VAL H A 20 LEU H 1.0 1.8 5.0 33 17 A 19 VAL HA A 20 LEU HG 1.0 1.8 6.0 34 18 A 19 VAL HA A 20 LEU HBy 1.0 1.8 6.0 35 18 A 19 VAL HA A 20 LEU HBx 1.0 1.8 6.0 36 19 A 20 LEU HG A 19 VAL HB 1.0 1.8 5.0 37 20 A 19 VAL HB A 20 LEU HBy 1.0 1.8 5.0 38 20 A 20 LEU HBx A 19 VAL HB 1.0 1.8 5.0 39 21 A 19 VAL HB A 20 LEU HD2% 1.0 1.8 5.0 40 21 A 19 VAL HB A 20 LEU HD1% 1.0 1.8 5.0 41 22 A 19 VAL HG2% A 20 LEU H 1.0 1.8 5.0 42 23 A 19 VAL HG2% A 20 LEU HA 1.0 1.8 5.0 43 24 A 20 LEU H A 20 LEU HD2% 1.0 1.8 5.0 44 24 A 20 LEU H A 20 LEU HD1% 1.0 1.8 5.0 45 25 A 20 LEU HD1% A 20 LEU HA 1.0 1.8 5.0 46 26 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 5.0 47 27 A 22 LEU HG A 21 GLY HAx 1.0 1.8 6.0 48 27 A 21 GLY HAy A 22 LEU HG 1.0 1.8 6.0 49 28 A 22 LEU HG A 22 LEU H 1.0 1.8 5.0 50 29 A 22 LEU HA A 22 LEU HD1% 1.0 1.8 5.0 51 30 A 22 LEU HA A 22 LEU HD2% 1.0 1.8 5.0 52 31 A 22 LEU HA A 22 LEU HD2% 1.0 1.8 3.5 53 31 A 22 LEU HA A 22 LEU HD1% 1.0 1.8 3.5 54 32 A 22 LEU HD1% A 22 LEU HBx 1.0 1.8 5.0 55 32 A 22 LEU HD1% A 22 LEU HBy 1.0 1.8 5.0 56 33 A 22 LEU HBx A 22 LEU HD2% 1.0 1.8 5.0 57 33 A 22 LEU HBy A 22 LEU HD2% 1.0 1.8 5.0 58 34 A 24 ALA HB% A 25 SER HA 1.0 1.8 5.0 59 35 A 26 ALA HA A 27 GLU HBx 1.0 1.8 6.0 60 35 A 26 ALA HA A 27 GLU HBy 1.0 1.8 6.0 61 36 A 27 GLU HBy A 26 ALA HB% 1.0 1.8 5.0 62 37 A 26 ALA HB% A 27 GLU HBx 1.0 1.8 5.0 63 38 A 26 ALA HB% A 27 GLU HBx 1.0 1.8 5.0 64 38 A 27 GLU HBy A 26 ALA HB% 1.0 1.8 5.0 65 39 A 27 GLU HBy A 28 CYS H 1.0 1.8 5.0 66 40 A 28 CYS H A 27 GLU HBx 1.0 1.8 5.0 67 41 A 28 CYS HA A 29 HIS H 1.0 1.8 3.5 68 42 A 28 CYS H A 30 LEU HD2% 1.0 1.8 5.0 69 43 A 30 LEU HD2% A 28 CYS HBx 1.0 1.8 5.0 70 43 A 30 LEU HD2% A 28 CYS HBy 1.0 1.8 5.0 71 44 A 29 HIS HA A 30 LEU H 1.0 1.8 3.5 72 45 A 29 HIS HA A 30 LEU HG 1.0 1.8 5.0 73 46 A 29 HIS H A 38 PHE H 1.0 1.8 5.0 74 47 A 38 PHE H A 29 HIS HBy 1.0 1.8 5.0 75 47 A 38 PHE H A 29 HIS HBx 1.0 1.8 5.0 76 48 A 30 LEU H A 30 LEU HG 1.0 1.8 5.0 77 49 A 30 LEU H A 30 LEU HD1% 1.0 1.8 5.0 78 50 A 30 LEU HD2% A 30 LEU H 1.0 1.8 5.0 79 51 A 30 LEU HD1% A 30 LEU HA 1.0 1.8 5.0 80 52 A 30 LEU HD2% A 30 LEU HA 1.0 1.8 3.5 81 53 A 30 LEU HD2% A 30 LEU HBy 1.0 1.8 3.5 82 53 A 30 LEU HD2% A 30 LEU HBx 1.0 1.8 3.5 83 54 A 30 LEU HA A 31 CYS H 1.0 1.8 3.5 84 55 A 30 LEU HA A 31 CYS HBy 1.0 1.8 5.0 85 56 A 30 LEU HA A 31 CYS HBx 1.0 1.8 6.0 86 57 A 30 LEU HD1% A 31 CYS H 1.0 1.8 6.0 87 58 A 30 LEU HD2% A 31 CYS H 1.0 1.8 5.0 88 59 A 30 LEU HA A 37 SER HA 1.0 1.8 5.0 89 60 A 30 LEU HA A 37 SER HBx 1.0 1.8 6.0 90 60 A 30 LEU HA A 37 SER HBy 1.0 1.8 6.0 91 61 A 30 LEU HG A 37 SER HA 1.0 1.8 5.0 92 62 A 30 LEU HD1% A 37 SER HBx 1.0 1.8 6.0 93 62 A 30 LEU HD1% A 37 SER HBy 1.0 1.8 6.0 94 63 A 30 LEU HD2% A 37 SER H 1.0 1.8 5.0 95 64 A 30 LEU HD2% A 37 SER HA 1.0 1.8 3.5 96 65 A 30 LEU HD2% A 37 SER HBx 1.0 1.8 3.5 97 65 A 30 LEU HD2% A 37 SER HBy 1.0 1.8 3.5 98 66 A 38 PHE H A 30 LEU HA 1.0 1.8 5.0 99 67 A 30 LEU HA A 38 PHE HD% 1.0 1.8 5.0 100 68 A 30 LEU HD2% A 38 PHE H 1.0 1.8 5.0 101 69 A 31 CYS HA A 32 PRO HDy 1.0 1.8 3.5 102 70 A 31 CYS HA A 32 PRO HDx 1.0 1.8 3.5 103 71 A 31 CYS HBy A 32 PRO HDy 1.0 1.8 6.0 104 72 A 31 CYS HBy A 32 PRO HDx 1.0 1.8 6.0 105 73 A 31 CYS HBy A 32 PRO HDx 1.0 1.8 5.0 106 73 A 31 CYS HBy A 32 PRO HDy 1.0 1.8 5.0 107 74 A 31 CYS HBx A 32 PRO HDx 1.0 1.8 6.0 108 74 A 31 CYS HBx A 32 PRO HDy 1.0 1.8 6.0 109 75 A 31 CYS HBy A 34 CYS H 1.0 1.8 5.0 110 76 A 31 CYS HBx A 34 CYS H 1.0 1.8 5.0 111 77 A 31 CYS HBx A 35 GLY H 1.0 1.8 6.0 112 78 A 31 CYS H A 36 GLU H 1.0 1.8 5.0 113 79 A 31 CYS HBy A 36 GLU HBx 1.0 1.8 5.0 114 80 A 31 CYS HBx A 36 GLU H 1.0 1.8 5.0 115 81 A 31 CYS HBx A 36 GLU HBy 1.0 1.8 5.0 116 82 A 31 CYS HBx A 36 GLU HBx 1.0 1.8 5.0 117 83 A 31 CYS HBy A 38 PHE HE% 1.0 1.8 5.0 118 84 A 31 CYS HBx A 38 PHE HE% 1.0 1.8 5.0 119 85 A 31 CYS HBy A 47 HIS HD2 1.0 1.8 6.0 120 86 A 31 CYS HA A 48 LEU HD1% 1.0 1.8 5.0 121 87 A 31 CYS HA A 48 LEU HD2% 1.0 1.8 5.0 122 88 A 31 CYS HBx A 48 LEU HD1% 1.0 1.8 6.0 123 89 A 32 PRO HBy A 33 VAL HA 1.0 1.8 5.0 124 90 A 32 PRO HBy A 33 VAL HG2% 1.0 1.8 5.0 125 91 A 33 VAL HG2% A 32 PRO HBx 1.0 1.8 6.0 126 92 A 33 VAL H A 32 PRO HDx 1.0 1.8 5.0 127 92 A 32 PRO HDy A 33 VAL H 1.0 1.8 5.0 128 93 A 33 VAL HG2% A 32 PRO HDx 1.0 1.8 5.0 129 93 A 32 PRO HDy A 33 VAL HG2% 1.0 1.8 5.0 130 94 A 33 VAL H A 32 PRO HGx 1.0 1.8 5.0 131 94 A 33 VAL H A 32 PRO HGy 1.0 1.8 5.0 132 95 A 33 VAL HG2% A 32 PRO HGx 1.0 1.8 5.0 133 95 A 33 VAL HG2% A 32 PRO HGy 1.0 1.8 5.0 134 96 A 44 GLN HE21 A 32 PRO HDx 1.0 1.8 5.0 135 96 A 32 PRO HDy A 44 GLN HE21 1.0 1.8 5.0 136 96 A 32 PRO HDy A 44 GLN HE22 1.0 1.8 5.0 137 96 A 44 GLN HE22 A 32 PRO HDx 1.0 1.8 5.0 138 97 A 32 PRO HDx A 44 GLN HGx 1.0 1.8 5.0 139 97 A 44 GLN HGy A 32 PRO HDx 1.0 1.8 5.0 140 97 A 32 PRO HDy A 44 GLN HGy 1.0 1.8 5.0 141 97 A 32 PRO HDy A 44 GLN HGx 1.0 1.8 5.0 142 98 A 48 LEU HD1% A 32 PRO HBx 1.0 1.8 5.0 143 99 A 32 PRO HDy A 48 LEU HD1% 1.0 1.8 5.0 144 100 A 32 PRO HDy A 48 LEU HD2% 1.0 1.8 5.0 145 101 A 48 LEU HD1% A 32 PRO HDx 1.0 1.8 5.0 146 102 A 48 LEU HD2% A 32 PRO HDx 1.0 1.8 5.0 147 103 A 48 LEU HD2% A 32 PRO HGy 1.0 1.8 5.0 148 104 A 48 LEU HD2% A 32 PRO HGx 1.0 1.8 5.0 149 105 A 48 LEU HD1% A 32 PRO HDx 1.0 1.8 5.0 150 105 A 32 PRO HDy A 48 LEU HD1% 1.0 1.8 5.0 151 106 A 48 LEU HD2% A 32 PRO HDx 1.0 1.8 3.5 152 106 A 32 PRO HDy A 48 LEU HD2% 1.0 1.8 3.5 153 107 A 48 LEU HD1% A 32 PRO HGx 1.0 1.8 5.0 154 107 A 48 LEU HD1% A 32 PRO HGy 1.0 1.8 5.0 155 108 A 48 LEU HD2% A 32 PRO HGx 1.0 1.8 5.0 156 108 A 48 LEU HD2% A 32 PRO HGy 1.0 1.8 5.0 157 109 A 33 VAL H A 33 VAL HB 1.0 1.8 3.5 158 110 A 33 VAL H A 33 VAL HG1% 1.0 1.8 5.0 159 111 A 33 VAL HG2% A 33 VAL H 1.0 1.8 3.5 160 112 A 33 VAL HA A 33 VAL HG1% 1.0 1.8 3.5 161 113 A 33 VAL HA A 33 VAL HG2% 1.0 1.8 3.5 162 114 A 34 CYS H A 33 VAL H 1.0 1.8 3.5 163 115 A 33 VAL HA A 34 CYS HA 1.0 1.8 5.0 164 116 A 34 CYS H A 33 VAL HB 1.0 1.8 3.5 165 117 A 33 VAL HB A 34 CYS HA 1.0 1.8 6.0 166 118 A 34 CYS H A 33 VAL HG1% 1.0 1.8 5.0 167 119 A 33 VAL HG1% A 34 CYS HA 1.0 1.8 5.0 168 120 A 33 VAL HG1% A 34 CYS HBx 1.0 1.8 5.0 169 121 A 34 CYS H A 33 VAL HG2% 1.0 1.8 5.0 170 122 A 33 VAL HG2% A 34 CYS HBx 1.0 1.8 6.0 171 123 A 48 LEU HD2% A 33 VAL H 1.0 1.8 5.0 172 124 A 48 LEU HD2% A 33 VAL HG1% 1.0 1.8 5.0 173 125 A 48 LEU HD1% A 33 VAL HG2% 1.0 1.8 5.0 174 126 A 48 LEU HD2% A 33 VAL HG2% 1.0 1.8 3.5 175 127 A 33 VAL HB A 52 HIS HBx 1.0 1.8 5.0 176 128 A 33 VAL HB A 52 HIS HD2 1.0 1.8 5.0 177 129 A 33 VAL HG1% A 52 HIS HBx 1.0 1.8 5.0 178 130 A 33 VAL HG1% A 52 HIS HE1 1.0 1.8 6.0 179 131 A 33 VAL HG2% A 52 HIS HBy 1.0 1.8 6.0 180 132 A 33 VAL HG2% A 52 HIS HBx 1.0 1.8 5.0 181 133 A 33 VAL HG2% A 52 HIS HD2 1.0 1.8 5.0 182 134 A 33 VAL HG1% A 55 GLN HGy 1.0 1.8 5.0 183 135 A 33 VAL HG1% A 55 GLN HBx 1.0 1.8 5.0 184 135 A 33 VAL HG1% A 55 GLN HBy 1.0 1.8 5.0 185 136 A 33 VAL HG2% A 55 GLN HBy 1.0 1.8 5.0 186 137 A 33 VAL HG2% A 55 GLN HBx 1.0 1.8 5.0 187 138 A 33 VAL HG2% A 55 GLN HGy 1.0 1.8 5.0 188 139 A 33 VAL HG2% A 55 GLN HGx 1.0 1.8 5.0 189 140 A 33 VAL HG2% A 67 TYR HD% 1.0 1.8 5.0 190 141 A 33 VAL HG2% A 67 TYR HE% 1.0 1.8 5.0 191 142 A 34 CYS HA A 35 GLY HAx 1.0 1.8 6.0 192 143 A 52 HIS HE1 A 34 CYS HBy 1.0 1.8 6.0 193 144 A 36 GLU H A 36 GLU HBy 1.0 1.8 3.5 194 145 A 36 GLU H A 36 GLU HGy 1.0 1.8 6.0 195 146 A 36 GLU H A 36 GLU HGx 1.0 1.8 6.0 196 147 A 36 GLU H A 36 GLU HGx 1.0 1.8 5.0 197 147 A 36 GLU H A 36 GLU HGy 1.0 1.8 5.0 198 148 A 37 SER H A 36 GLU HA 1.0 1.8 3.5 199 149 A 36 GLU HA A 37 SER HBx 1.0 1.8 5.0 200 149 A 37 SER HBy A 36 GLU HA 1.0 1.8 5.0 201 150 A 37 SER H A 36 GLU HBy 1.0 1.8 5.0 202 151 A 37 SER H A 36 GLU HBx 1.0 1.8 5.0 203 152 A 37 SER H A 36 GLU HGy 1.0 1.8 6.0 204 153 A 37 SER H A 36 GLU HGx 1.0 1.8 6.0 205 154 A 36 GLU HBy A 38 PHE HE% 1.0 1.8 5.0 206 155 A 36 GLU HBx A 38 PHE HZ 1.0 1.8 5.0 207 156 A 36 GLU HBx A 38 PHE HE% 1.0 1.8 5.0 208 157 A 37 SER H A 37 SER HBx 1.0 1.8 3.5 209 157 A 37 SER HBy A 37 SER H 1.0 1.8 3.5 210 158 A 38 PHE H A 37 SER HA 1.0 1.8 3.5 211 159 A 37 SER HA A 38 PHE HD% 1.0 1.8 5.0 212 160 A 38 PHE H A 38 PHE HD% 1.0 1.8 5.0 213 161 A 38 PHE HD% A 38 PHE HA 1.0 1.8 5.0 214 162 A 39 ALA HB% A 38 PHE HBx 1.0 1.8 5.0 215 162 A 38 PHE HBy A 39 ALA HB% 1.0 1.8 5.0 216 163 A 40 SER H A 38 PHE HBx 1.0 1.8 5.0 217 163 A 38 PHE HBy A 40 SER H 1.0 1.8 5.0 218 164 A 38 PHE HA A 43 ALA HB% 1.0 1.8 5.0 219 165 A 38 PHE HBy A 43 ALA HB% 1.0 1.8 5.0 220 166 A 43 ALA HB% A 38 PHE HBx 1.0 1.8 5.0 221 167 A 43 ALA HB% A 38 PHE HBx 1.0 1.8 3.5 222 167 A 38 PHE HBy A 43 ALA HB% 1.0 1.8 3.5 223 168 A 38 PHE HD% A 43 ALA HB% 1.0 1.8 3.5 224 169 A 38 PHE HE% A 43 ALA HB% 1.0 1.8 5.0 225 170 A 38 PHE HBy A 44 GLN H 1.0 1.8 5.0 226 171 A 38 PHE HBy A 44 GLN HA 1.0 1.8 5.0 227 172 A 38 PHE HBy A 44 GLN HBy 1.0 1.8 5.0 228 173 A 44 GLN H A 38 PHE HBx 1.0 1.8 5.0 229 174 A 44 GLN HA A 38 PHE HBx 1.0 1.8 5.0 230 175 A 44 GLN HBy A 38 PHE HBx 1.0 1.8 5.0 231 176 A 44 GLN H A 38 PHE HBx 1.0 1.8 5.0 232 176 A 38 PHE HBy A 44 GLN H 1.0 1.8 5.0 233 177 A 44 GLN HA A 38 PHE HBx 1.0 1.8 5.0 234 177 A 38 PHE HBy A 44 GLN HA 1.0 1.8 5.0 235 178 A 44 GLN HBy A 38 PHE HBx 1.0 1.8 5.0 236 178 A 38 PHE HBy A 44 GLN HBy 1.0 1.8 5.0 237 179 A 44 GLN HBx A 38 PHE HBx 1.0 1.8 6.0 238 179 A 38 PHE HBy A 44 GLN HBx 1.0 1.8 6.0 239 180 A 38 PHE HD% A 44 GLN HA 1.0 1.8 5.0 240 181 A 38 PHE HD% A 44 GLN HBy 1.0 1.8 5.0 241 182 A 38 PHE HD% A 44 GLN HBx 1.0 1.8 5.0 242 183 A 38 PHE HD% A 44 GLN HGy 1.0 1.8 5.0 243 184 A 38 PHE HD% A 44 GLN HGx 1.0 1.8 5.0 244 185 A 38 PHE HE% A 47 HIS HD2 1.0 1.8 5.0 245 186 A 39 ALA HB% A 40 SER HBy 1.0 1.8 5.0 246 186 A 39 ALA HB% A 40 SER HBx 1.0 1.8 5.0 247 187 A 40 SER H A 43 ALA HB% 1.0 1.8 5.0 248 188 A 43 ALA HB% A 40 SER HBy 1.0 1.8 5.0 249 188 A 43 ALA HB% A 40 SER HBx 1.0 1.8 5.0 250 189 A 41 LYS HA A 41 LYS HDy 1.0 1.8 5.0 251 190 A 41 LYS HA A 41 LYS HDx 1.0 1.8 5.0 252 191 A 41 LYS HA A 41 LYS HDx 1.0 1.8 5.0 253 191 A 41 LYS HA A 41 LYS HDy 1.0 1.8 5.0 254 192 A 41 LYS HEy A 41 LYS HGx 1.0 1.8 3.5 255 192 A 41 LYS HGy A 41 LYS HEx 1.0 1.8 3.5 256 192 A 41 LYS HGy A 41 LYS HEy 1.0 1.8 3.5 257 192 A 41 LYS HEx A 41 LYS HGx 1.0 1.8 3.5 258 193 A 44 GLN H A 41 LYS HA 1.0 1.8 5.0 259 194 A 44 GLN HBx A 41 LYS HA 1.0 1.8 5.0 260 195 A 41 LYS HA A 45 GLU H 1.0 1.8 5.0 261 196 A 45 GLU H A 41 LYS HBy 1.0 1.8 6.0 262 196 A 45 GLU H A 41 LYS HBx 1.0 1.8 6.0 263 197 A 45 GLU HGy A 41 LYS HGx 1.0 1.8 5.0 264 197 A 41 LYS HGy A 45 GLU HGy 1.0 1.8 5.0 265 198 A 41 LYS HGy A 45 GLU HGx 1.0 1.8 5.0 266 198 A 41 LYS HGx A 45 GLU HGx 1.0 1.8 5.0 267 199 A 42 GLY H A 43 ALA H 1.0 1.8 5.0 268 200 A 43 ALA HB% A 42 GLY HAx 1.0 1.8 5.0 269 200 A 43 ALA HB% A 42 GLY HAy 1.0 1.8 5.0 270 201 A 42 GLY HAy A 45 GLU HGy 1.0 1.8 5.0 271 201 A 45 GLU HGy A 42 GLY HAx 1.0 1.8 5.0 272 202 A 42 GLY HAx A 45 GLU HGx 1.0 1.8 5.0 273 202 A 42 GLY HAy A 45 GLU HGx 1.0 1.8 5.0 274 203 A 42 GLY HAy A 45 GLU HBx 1.0 1.8 5.0 275 203 A 45 GLU HBy A 42 GLY HAx 1.0 1.8 5.0 276 203 A 42 GLY HAy A 45 GLU HBy 1.0 1.8 5.0 277 203 A 42 GLY HAx A 45 GLU HBx 1.0 1.8 5.0 278 204 A 42 GLY HAy A 45 GLU HGx 1.0 1.8 5.0 279 204 A 42 GLY HAx A 45 GLU HGx 1.0 1.8 5.0 280 204 A 45 GLU HGy A 42 GLY HAx 1.0 1.8 5.0 281 204 A 42 GLY HAy A 45 GLU HGy 1.0 1.8 5.0 282 205 A 46 ARG H A 42 GLY HAx 1.0 1.8 5.0 283 205 A 42 GLY HAy A 46 ARG H 1.0 1.8 5.0 284 206 A 43 ALA HB% A 43 ALA H 1.0 1.8 3.5 285 207 A 44 GLN H A 43 ALA H 1.0 1.8 3.5 286 208 A 43 ALA HB% A 44 GLN H 1.0 1.8 3.5 287 209 A 43 ALA HB% A 44 GLN HA 1.0 1.8 5.0 288 210 A 43 ALA HB% A 45 GLU H 1.0 1.8 6.0 289 211 A 46 ARG H A 43 ALA HA 1.0 1.8 5.0 290 212 A 43 ALA HA A 46 ARG HBy 1.0 1.8 5.0 291 213 A 43 ALA HA A 46 ARG HBx 1.0 1.8 5.0 292 214 A 43 ALA HA A 46 ARG HGy 1.0 1.8 3.5 293 215 A 43 ALA HA A 46 ARG HGx 1.0 1.8 5.0 294 216 A 43 ALA HA A 46 ARG HDx 1.0 1.8 5.0 295 216 A 43 ALA HA A 46 ARG HDy 1.0 1.8 5.0 296 217 A 43 ALA HA A 47 HIS H 1.0 1.8 5.0 297 218 A 44 GLN H A 44 GLN HBy 1.0 1.8 3.5 298 219 A 44 GLN H A 44 GLN HBx 1.0 1.8 3.5 299 220 A 44 GLN HGy A 44 GLN H 1.0 1.8 5.0 300 221 A 44 GLN H A 44 GLN HGx 1.0 1.8 5.0 301 222 A 44 GLN HA A 44 GLN HGx 1.0 1.8 3.5 302 222 A 44 GLN HGy A 44 GLN HA 1.0 1.8 3.5 303 223 A 44 GLN H A 45 GLU H 1.0 1.8 3.5 304 224 A 44 GLN H A 45 GLU HGx 1.0 1.8 6.0 305 224 A 44 GLN H A 45 GLU HGy 1.0 1.8 6.0 306 225 A 44 GLN HBy A 45 GLU H 1.0 1.8 5.0 307 226 A 44 GLN HBx A 45 GLU H 1.0 1.8 3.5 308 227 A 45 GLU H A 44 GLN HGx 1.0 1.8 5.0 309 227 A 44 GLN HGy A 45 GLU H 1.0 1.8 5.0 310 228 A 44 GLN HA A 47 HIS H 1.0 1.8 5.0 311 229 A 44 GLN HA A 48 LEU H 1.0 1.8 6.0 312 230 A 48 LEU HD1% A 44 GLN HE21 1.0 1.8 5.0 313 231 A 48 LEU HD1% A 44 GLN HE22 1.0 1.8 5.0 314 232 A 48 LEU HD1% A 44 GLN HGy 1.0 1.8 5.0 315 233 A 48 LEU HD1% A 44 GLN HGx 1.0 1.8 6.0 316 234 A 48 LEU HD2% A 44 GLN HE21 1.0 1.8 6.0 317 234 A 48 LEU HD2% A 44 GLN HE22 1.0 1.8 6.0 318 235 A 48 LEU HD1% A 44 GLN HGx 1.0 1.8 5.0 319 235 A 48 LEU HD1% A 44 GLN HGy 1.0 1.8 5.0 320 236 A 48 LEU HD2% A 44 GLN HGx 1.0 1.8 6.0 321 236 A 48 LEU HD2% A 44 GLN HGy 1.0 1.8 6.0 322 237 A 45 GLU H A 45 GLU HGy 1.0 1.8 3.5 323 238 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.0 324 239 A 45 GLU H A 45 GLU HBx 1.0 1.8 3.5 325 239 A 45 GLU H A 45 GLU HBy 1.0 1.8 3.5 326 240 A 45 GLU H A 46 ARG H 1.0 1.8 5.0 327 241 A 45 GLU HBy A 46 ARG H 1.0 1.8 5.0 328 242 A 46 ARG H A 45 GLU HBx 1.0 1.8 5.0 329 243 A 45 GLU HGy A 46 ARG H 1.0 1.8 6.0 330 244 A 46 ARG H A 45 GLU HGx 1.0 1.8 6.0 331 245 A 46 ARG H A 45 GLU HGx 1.0 1.8 5.0 332 245 A 45 GLU HGy A 46 ARG H 1.0 1.8 5.0 333 246 A 47 HIS H A 45 GLU HA 1.0 1.8 5.0 334 247 A 48 LEU H A 45 GLU HA 1.0 1.8 5.0 335 248 A 45 GLU HA A 48 LEU HBy 1.0 1.8 5.0 336 249 A 45 GLU HA A 48 LEU HBx 1.0 1.8 5.0 337 250 A 48 LEU HD1% A 45 GLU HA 1.0 1.8 5.0 338 251 A 46 ARG H A 46 ARG HBx 1.0 1.8 3.5 339 252 A 46 ARG H A 46 ARG HGy 1.0 1.8 5.0 340 253 A 46 ARG H A 46 ARG HGx 1.0 1.8 5.0 341 254 A 46 ARG HBx A 46 ARG HDy 1.0 1.8 5.0 342 255 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 5.0 343 256 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 3.5 344 256 A 46 ARG HBx A 46 ARG HDy 1.0 1.8 3.5 345 257 A 46 ARG H A 47 HIS H 1.0 1.8 3.5 346 258 A 46 ARG HBy A 47 HIS H 1.0 1.8 5.0 347 259 A 46 ARG HBx A 47 HIS H 1.0 1.8 5.0 348 260 A 46 ARG HDy A 47 HIS H 1.0 1.8 6.0 349 261 A 47 HIS H A 46 ARG HDx 1.0 1.8 6.0 350 262 A 46 ARG HGy A 47 HIS H 1.0 1.8 5.0 351 263 A 46 ARG HGx A 47 HIS H 1.0 1.8 5.0 352 264 A 46 ARG HGx A 47 HIS HA 1.0 1.8 5.0 353 265 A 46 ARG HGx A 47 HIS HBy 1.0 1.8 5.0 354 266 A 47 HIS H A 46 ARG HDx 1.0 1.8 5.0 355 266 A 46 ARG HDy A 47 HIS H 1.0 1.8 5.0 356 267 A 48 LEU H A 46 ARG HA 1.0 1.8 5.0 357 268 A 46 ARG HA A 49 ARG H 1.0 1.8 5.0 358 269 A 46 ARG HA A 49 ARG HDx 1.0 1.8 5.0 359 269 A 46 ARG HA A 49 ARG HDy 1.0 1.8 5.0 360 270 A 46 ARG HA A 49 ARG HGx 1.0 1.8 5.0 361 270 A 46 ARG HA A 49 ARG HGy 1.0 1.8 5.0 362 271 A 46 ARG HA A 50 LEU HD1% 1.0 1.8 5.0 363 272 A 46 ARG HBy A 50 LEU HD1% 1.0 1.8 5.0 364 273 A 46 ARG HBx A 50 LEU HD1% 1.0 1.8 5.0 365 274 A 46 ARG HDy A 50 LEU HD1% 1.0 1.8 5.0 366 275 A 50 LEU HD1% A 46 ARG HDx 1.0 1.8 5.0 367 276 A 47 HIS H A 47 HIS HBy 1.0 1.8 3.5 368 277 A 47 HIS H A 47 HIS HBx 1.0 1.8 3.5 369 278 A 47 HIS HD2 A 47 HIS H 1.0 1.8 5.0 370 279 A 47 HIS H A 48 LEU H 1.0 1.8 3.5 371 280 A 48 LEU H A 47 HIS HBy 1.0 1.8 5.0 372 281 A 48 LEU H A 47 HIS HBx 1.0 1.8 5.0 373 282 A 47 HIS HA A 50 LEU H 1.0 1.8 5.0 374 283 A 47 HIS HA A 50 LEU HBy 1.0 1.8 5.0 375 284 A 47 HIS HA A 50 LEU HBx 1.0 1.8 6.0 376 285 A 47 HIS HA A 50 LEU HG 1.0 1.8 6.0 377 286 A 47 HIS HA A 50 LEU HBx 1.0 1.8 5.0 378 286 A 47 HIS HA A 50 LEU HBy 1.0 1.8 5.0 379 287 A 47 HIS HA A 50 LEU HD1% 1.0 1.8 5.0 380 288 A 47 HIS HA A 51 LEU H 1.0 1.8 6.0 381 289 A 47 HIS HA A 51 LEU HD1% 1.0 1.8 6.0 382 290 A 47 HIS HE1 A 51 LEU HBy 1.0 1.8 5.0 383 291 A 47 HIS HE1 A 51 LEU HG 1.0 1.8 6.0 384 292 A 51 LEU HD1% A 47 HIS HE1 1.0 1.8 5.0 385 293 A 47 HIS HE1 A 51 LEU HD2% 1.0 1.8 6.0 386 294 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.5 387 295 A 48 LEU H A 48 LEU HG 1.0 1.8 5.0 388 296 A 48 LEU HD1% A 48 LEU H 1.0 1.8 5.0 389 297 A 48 LEU HD2% A 48 LEU H 1.0 1.8 5.0 390 298 A 48 LEU HD1% A 48 LEU HA 1.0 1.8 5.0 391 299 A 48 LEU HD2% A 48 LEU HA 1.0 1.8 3.5 392 300 A 48 LEU HD1% A 48 LEU HBy 1.0 1.8 3.5 393 301 A 48 LEU HD2% A 48 LEU HBx 1.0 1.8 3.5 394 302 A 48 LEU H A 49 ARG H 1.0 1.8 3.5 395 303 A 48 LEU HBy A 49 ARG H 1.0 1.8 5.0 396 304 A 48 LEU HBx A 49 ARG H 1.0 1.8 5.0 397 305 A 48 LEU HD1% A 49 ARG H 1.0 1.8 5.0 398 306 A 48 LEU HD2% A 49 ARG H 1.0 1.8 5.0 399 307 A 51 LEU H A 48 LEU HA 1.0 1.8 5.0 400 308 A 51 LEU HBy A 48 LEU HA 1.0 1.8 6.0 401 309 A 48 LEU HA A 52 HIS H 1.0 1.8 5.0 402 310 A 52 HIS HBy A 48 LEU HA 1.0 1.8 5.0 403 311 A 52 HIS HBx A 48 LEU HA 1.0 1.8 5.0 404 312 A 52 HIS HD2 A 48 LEU HA 1.0 1.8 6.0 405 313 A 48 LEU HBx A 52 HIS H 1.0 1.8 6.0 406 314 A 48 LEU HD2% A 52 HIS H 1.0 1.8 5.0 407 315 A 48 LEU HD2% A 52 HIS HBy 1.0 1.8 5.0 408 316 A 48 LEU HD2% A 52 HIS HBx 1.0 1.8 6.0 409 317 A 48 LEU HD2% A 52 HIS HD2 1.0 1.8 6.0 410 318 A 48 LEU HD2% A 55 GLN H 1.0 1.8 6.0 411 319 A 48 LEU HD2% A 55 GLN HBx 1.0 1.8 5.0 412 319 A 48 LEU HD2% A 55 GLN HBy 1.0 1.8 5.0 413 320 A 48 LEU HA A 56 VAL HG1% 1.0 1.8 5.0 414 321 A 48 LEU HA A 56 VAL HG2% 1.0 1.8 6.0 415 322 A 48 LEU HBx A 56 VAL H 1.0 1.8 6.0 416 323 A 48 LEU HBx A 56 VAL HG1% 1.0 1.8 5.0 417 324 A 48 LEU HBx A 56 VAL HG2% 1.0 1.8 5.0 418 325 A 48 LEU HD1% A 56 VAL HG1% 1.0 1.8 3.5 419 326 A 48 LEU HD2% A 56 VAL H 1.0 1.8 6.0 420 327 A 48 LEU HD2% A 56 VAL HG1% 1.0 1.8 5.0 421 328 A 48 LEU HD1% A 65 THR HB 1.0 1.8 6.0 422 329 A 48 LEU HD1% A 67 TYR HD% 1.0 1.8 5.0 423 330 A 48 LEU HD1% A 67 TYR HE% 1.0 1.8 5.0 424 331 A 48 LEU HD2% A 67 TYR HD% 1.0 1.8 5.0 425 332 A 48 LEU HD2% A 67 TYR HE% 1.0 1.8 5.0 426 333 A 49 ARG H A 49 ARG HBx 1.0 1.8 3.5 427 333 A 49 ARG H A 49 ARG HBy 1.0 1.8 3.5 428 334 A 49 ARG H A 49 ARG HDx 1.0 1.8 5.0 429 334 A 49 ARG H A 49 ARG HDy 1.0 1.8 5.0 430 335 A 49 ARG H A 49 ARG HGx 1.0 1.8 5.0 431 335 A 49 ARG H A 49 ARG HGy 1.0 1.8 5.0 432 336 A 49 ARG HA A 49 ARG HDx 1.0 1.8 5.0 433 336 A 49 ARG HDy A 49 ARG HA 1.0 1.8 5.0 434 337 A 49 ARG H A 50 LEU H 1.0 1.8 3.5 435 338 A 50 LEU H A 49 ARG HDx 1.0 1.8 5.0 436 338 A 49 ARG HDy A 50 LEU H 1.0 1.8 5.0 437 339 A 50 LEU HD1% A 49 ARG HDx 1.0 1.8 6.0 438 339 A 49 ARG HDy A 50 LEU HD1% 1.0 1.8 6.0 439 340 A 50 LEU HD2% A 49 ARG HDx 1.0 1.8 5.0 440 340 A 49 ARG HDy A 50 LEU HD2% 1.0 1.8 5.0 441 341 A 49 ARG HA A 53 ALA HA 1.0 1.8 5.0 442 342 A 49 ARG HA A 53 ALA HB% 1.0 1.8 5.0 443 343 A 53 ALA HA A 49 ARG HBx 1.0 1.8 6.0 444 343 A 49 ARG HBy A 53 ALA HA 1.0 1.8 6.0 445 344 A 49 ARG H A 56 VAL HG1% 1.0 1.8 6.0 446 345 A 49 ARG H A 56 VAL HG2% 1.0 1.8 5.0 447 346 A 56 VAL HG2% A 49 ARG HA 1.0 1.8 5.0 448 347 A 50 LEU H A 50 LEU HG 1.0 1.8 3.5 449 348 A 50 LEU HD1% A 50 LEU H 1.0 1.8 5.0 450 349 A 50 LEU HD1% A 50 LEU HA 1.0 1.8 5.0 451 350 A 50 LEU HD2% A 50 LEU HA 1.0 1.8 3.5 452 351 A 50 LEU HD1% A 50 LEU HBy 1.0 1.8 3.5 453 352 A 50 LEU HD1% A 50 LEU HBx 1.0 1.8 3.5 454 353 A 50 LEU HD1% A 50 LEU HBx 1.0 1.8 3.5 455 353 A 50 LEU HD1% A 50 LEU HBy 1.0 1.8 3.5 456 354 A 50 LEU H A 51 LEU H 1.0 1.8 3.5 457 355 A 50 LEU HBy A 51 LEU H 1.0 1.8 5.0 458 356 A 51 LEU H A 50 LEU HBx 1.0 1.8 5.0 459 357 A 51 LEU HA A 50 LEU HBx 1.0 1.8 5.0 460 357 A 50 LEU HBy A 51 LEU HA 1.0 1.8 5.0 461 358 A 51 LEU HD2% A 50 LEU HBx 1.0 1.8 5.0 462 358 A 50 LEU HBy A 51 LEU HD2% 1.0 1.8 5.0 463 359 A 50 LEU HD1% A 51 LEU HG 1.0 1.8 5.0 464 360 A 51 LEU HG A 50 LEU HD2% 1.0 1.8 6.0 465 361 A 50 LEU H A 52 HIS H 1.0 1.8 5.0 466 362 A 50 LEU HBy A 52 HIS H 1.0 1.8 6.0 467 363 A 52 HIS H A 50 LEU HBx 1.0 1.8 6.0 468 364 A 52 HIS H A 50 LEU HBx 1.0 1.8 5.0 469 364 A 50 LEU HBy A 52 HIS H 1.0 1.8 5.0 470 365 A 51 LEU H A 51 LEU HBy 1.0 1.8 3.5 471 366 A 51 LEU H A 51 LEU HG 1.0 1.8 5.0 472 367 A 51 LEU H A 51 LEU HD1% 1.0 1.8 5.0 473 368 A 51 LEU H A 51 LEU HD2% 1.0 1.8 5.0 474 369 A 51 LEU HD1% A 51 LEU HA 1.0 1.8 5.0 475 370 A 51 LEU HD2% A 51 LEU HA 1.0 1.8 3.5 476 371 A 51 LEU HD1% A 51 LEU HBy 1.0 1.8 3.5 477 372 A 51 LEU HD2% A 51 LEU HBx 1.0 1.8 3.5 478 373 A 51 LEU H A 52 HIS H 1.0 1.8 3.5 479 374 A 51 LEU HBy A 52 HIS H 1.0 1.8 5.0 480 375 A 51 LEU HBy A 52 HIS HA 1.0 1.8 5.0 481 376 A 52 HIS HBy A 51 LEU HBy 1.0 1.8 6.0 482 377 A 52 HIS H A 51 LEU HBx 1.0 1.8 5.0 483 378 A 51 LEU HBx A 52 HIS HA 1.0 1.8 5.0 484 379 A 51 LEU HG A 52 HIS H 1.0 1.8 6.0 485 380 A 51 LEU H A 53 ALA H 1.0 1.8 5.0 486 381 A 52 HIS HD2 A 52 HIS H 1.0 1.8 5.0 487 382 A 52 HIS H A 53 ALA H 1.0 1.8 5.0 488 383 A 53 ALA HB% A 52 HIS HA 1.0 1.8 5.0 489 384 A 52 HIS HBx A 53 ALA H 1.0 1.8 5.0 490 385 A 52 HIS HBx A 55 GLN HBy 1.0 1.8 5.0 491 386 A 52 HIS HBx A 55 GLN HBx 1.0 1.8 5.0 492 386 A 52 HIS HBx A 55 GLN HBy 1.0 1.8 5.0 493 387 A 52 HIS HBy A 56 VAL HG1% 1.0 1.8 6.0 494 388 A 52 HIS HBy A 56 VAL HG2% 1.0 1.8 6.0 495 389 A 52 HIS HBx A 56 VAL H 1.0 1.8 6.0 496 390 A 52 HIS HBx A 56 VAL HG1% 1.0 1.8 5.0 497 391 A 52 HIS HBx A 56 VAL HG2% 1.0 1.8 5.0 498 392 A 53 ALA HB% A 53 ALA H 1.0 1.8 3.5 499 393 A 53 ALA H A 54 ALA H 1.0 1.8 5.0 500 394 A 53 ALA HB% A 54 ALA HA 1.0 1.8 5.0 501 395 A 56 VAL H A 53 ALA HA 1.0 1.8 5.0 502 396 A 56 VAL HG1% A 53 ALA HA 1.0 1.8 5.0 503 397 A 56 VAL HG2% A 53 ALA HA 1.0 1.8 6.0 504 398 A 55 GLN HGy A 54 ALA HA 1.0 1.8 6.0 505 399 A 54 ALA HB% A 55 GLN HA 1.0 1.8 5.0 506 400 A 55 GLN HGy A 54 ALA HB% 1.0 1.8 3.5 507 401 A 55 GLN HGx A 54 ALA HB% 1.0 1.8 5.0 508 402 A 56 VAL H A 54 ALA HA 1.0 1.8 5.0 509 403 A 56 VAL HG2% A 54 ALA HB% 1.0 1.8 6.0 510 404 A 55 GLN HGy A 55 GLN H 1.0 1.8 5.0 511 405 A 55 GLN HGx A 55 GLN H 1.0 1.8 5.0 512 406 A 55 GLN H A 55 GLN HBx 1.0 1.8 3.5 513 406 A 55 GLN HBy A 55 GLN H 1.0 1.8 3.5 514 407 A 55 GLN H A 56 VAL H 1.0 1.8 3.5 515 408 A 55 GLN H A 56 VAL HG2% 1.0 1.8 5.0 516 409 A 55 GLN HBy A 56 VAL H 1.0 1.8 5.0 517 410 A 56 VAL H A 55 GLN HBx 1.0 1.8 5.0 518 411 A 55 GLN HGy A 56 VAL H 1.0 1.8 6.0 519 412 A 55 GLN HGy A 56 VAL HG1% 1.0 1.8 6.0 520 413 A 55 GLN HGy A 56 VAL HG2% 1.0 1.8 6.0 521 414 A 55 GLN HGx A 56 VAL H 1.0 1.8 6.0 522 415 A 55 GLN HGx A 56 VAL HG1% 1.0 1.8 6.0 523 416 A 56 VAL HG1% A 55 GLN HBx 1.0 1.8 5.0 524 416 A 55 GLN HBy A 56 VAL HG1% 1.0 1.8 5.0 525 417 A 56 VAL HG2% A 55 GLN HBx 1.0 1.8 5.0 526 417 A 55 GLN HBy A 56 VAL HG2% 1.0 1.8 5.0 527 418 A 56 VAL HG2% A 56 VAL H 1.0 1.8 3.5 528 419 A 56 VAL HG1% A 56 VAL HA 1.0 1.8 3.5 529 420 A 56 VAL HA A 57 PHE H 1.0 1.8 3.5 530 421 A 56 VAL HA A 57 PHE HD% 1.0 1.8 5.0 531 422 A 57 PHE H A 56 VAL HB 1.0 1.8 5.0 532 423 A 57 PHE HD% A 56 VAL HB 1.0 1.8 6.0 533 424 A 56 VAL HG1% A 57 PHE H 1.0 1.8 5.0 534 425 A 56 VAL HG2% A 57 PHE H 1.0 1.8 5.0 535 426 A 56 VAL HB A 58 PRO HDy 1.0 1.8 6.0 536 427 A 56 VAL HG1% A 58 PRO HDx 1.0 1.8 6.0 537 428 A 56 VAL HG2% A 58 PRO HBx 1.0 1.8 5.0 538 429 A 56 VAL HG2% A 58 PRO HDy 1.0 1.8 5.0 539 430 A 56 VAL HG2% A 58 PRO HDx 1.0 1.8 5.0 540 431 A 56 VAL HG2% A 58 PRO HGx 1.0 1.8 5.0 541 431 A 56 VAL HG2% A 58 PRO HGy 1.0 1.8 5.0 542 432 A 56 VAL H A 65 THR HG2% 1.0 1.8 6.0 543 433 A 65 THR HB A 56 VAL HB 1.0 1.8 6.0 544 434 A 56 VAL HB A 65 THR HG2% 1.0 1.8 3.5 545 435 A 56 VAL HG1% A 65 THR HB 1.0 1.8 6.0 546 436 A 56 VAL HG1% A 65 THR HG2% 1.0 1.8 3.5 547 437 A 56 VAL HG1% A 66 PHE H 1.0 1.8 6.0 548 438 A 56 VAL HA A 67 TYR HA 1.0 1.8 5.0 549 439 A 67 TYR HD% A 56 VAL HA 1.0 1.8 5.0 550 440 A 67 TYR HD% A 56 VAL HB 1.0 1.8 5.0 551 441 A 56 VAL HG1% A 67 TYR HA 1.0 1.8 5.0 552 442 A 56 VAL HG1% A 67 TYR HBy 1.0 1.8 6.0 553 442 A 56 VAL HG1% A 67 TYR HBx 1.0 1.8 6.0 554 443 A 67 TYR HD% A 56 VAL HG1% 1.0 1.8 5.0 555 444 A 67 TYR HE% A 56 VAL HG1% 1.0 1.8 5.0 556 445 A 67 TYR HE% A 56 VAL HG2% 1.0 1.8 6.0 557 446 A 57 PHE H A 57 PHE HD% 1.0 1.8 5.0 558 447 A 57 PHE HD% A 57 PHE HA 1.0 1.8 5.0 559 448 A 58 PRO HDy A 57 PHE HA 1.0 1.8 3.5 560 449 A 58 PRO HDx A 57 PHE HA 1.0 1.8 3.5 561 450 A 58 PRO HDy A 57 PHE HBy 1.0 1.8 6.0 562 451 A 58 PRO HDy A 57 PHE HBx 1.0 1.8 5.0 563 452 A 57 PHE HBx A 59 CYS HA 1.0 1.8 6.0 564 453 A 57 PHE H A 65 THR HA 1.0 1.8 6.0 565 454 A 57 PHE H A 65 THR HG2% 1.0 1.8 6.0 566 455 A 57 PHE H A 66 PHE H 1.0 1.8 5.0 567 456 A 57 PHE H A 66 PHE HBy 1.0 1.8 6.0 568 457 A 66 PHE H A 57 PHE HBy 1.0 1.8 5.0 569 458 A 57 PHE HBy A 66 PHE HBy 1.0 1.8 5.0 570 459 A 57 PHE HBy A 66 PHE HBx 1.0 1.8 5.0 571 460 A 57 PHE HBy A 66 PHE HD% 1.0 1.8 6.0 572 461 A 66 PHE H A 57 PHE HBx 1.0 1.8 6.0 573 462 A 57 PHE H A 67 TYR HA 1.0 1.8 5.0 574 463 A 57 PHE HD% A 67 TYR HA 1.0 1.8 5.0 575 464 A 57 PHE H A 68 SER H 1.0 1.8 5.0 576 465 A 57 PHE HBy A 68 SER H 1.0 1.8 5.0 577 466 A 57 PHE HD% A 68 SER H 1.0 1.8 5.0 578 467 A 57 PHE HD% A 68 SER HA 1.0 1.8 5.0 579 468 A 68 SER H A 57 PHE HE% 1.0 1.8 6.0 580 469 A 68 SER HA A 57 PHE HE% 1.0 1.8 5.0 581 470 A 57 PHE HZ A 69 SER HBy 1.0 1.8 5.0 582 470 A 57 PHE HZ A 69 SER HBx 1.0 1.8 5.0 583 471 A 57 PHE HD% A 69 SER HA 1.0 1.8 5.0 584 472 A 57 PHE HD% A 69 SER HBy 1.0 1.8 6.0 585 472 A 57 PHE HD% A 69 SER HBx 1.0 1.8 6.0 586 473 A 57 PHE HE% A 69 SER H 1.0 1.8 5.0 587 474 A 57 PHE HE% A 69 SER HA 1.0 1.8 5.0 588 475 A 57 PHE HE% A 69 SER HBy 1.0 1.8 5.0 589 475 A 57 PHE HE% A 69 SER HBx 1.0 1.8 5.0 590 476 A 57 PHE HBy A 72 LEU H 1.0 1.8 5.0 591 477 A 57 PHE HBy A 72 LEU HBy 1.0 1.8 5.0 592 478 A 57 PHE HBy A 72 LEU HD1% 1.0 1.8 5.0 593 479 A 57 PHE HBy A 72 LEU HD2% 1.0 1.8 5.0 594 480 A 57 PHE HBx A 72 LEU HBy 1.0 1.8 5.0 595 481 A 57 PHE HBx A 72 LEU HBx 1.0 1.8 5.0 596 482 A 57 PHE HBx A 72 LEU HD1% 1.0 1.8 6.0 597 483 A 57 PHE HBx A 72 LEU HD2% 1.0 1.8 6.0 598 484 A 57 PHE HD% A 72 LEU HD2% 1.0 1.8 5.0 599 485 A 58 PRO HA A 59 CYS H 1.0 1.8 3.5 600 486 A 59 CYS H A 58 PRO HBy 1.0 1.8 5.0 601 487 A 58 PRO HBx A 59 CYS H 1.0 1.8 5.0 602 488 A 65 THR HA A 58 PRO HA 1.0 1.8 3.5 603 489 A 65 THR HB A 58 PRO HA 1.0 1.8 5.0 604 490 A 65 THR HG2% A 58 PRO HA 1.0 1.8 3.5 605 491 A 65 THR HA A 58 PRO HBy 1.0 1.8 5.0 606 492 A 65 THR HG2% A 58 PRO HBy 1.0 1.8 5.0 607 493 A 58 PRO HBx A 65 THR HA 1.0 1.8 5.0 608 494 A 65 THR HB A 58 PRO HBx 1.0 1.8 5.0 609 495 A 58 PRO HBx A 65 THR HG2% 1.0 1.8 5.0 610 496 A 58 PRO HDx A 65 THR HG2% 1.0 1.8 5.0 611 497 A 58 PRO HGy A 65 THR HG2% 1.0 1.8 5.0 612 498 A 65 THR HG2% A 58 PRO HGx 1.0 1.8 5.0 613 499 A 65 THR HG2% A 58 PRO HGx 1.0 1.8 5.0 614 499 A 58 PRO HGy A 65 THR HG2% 1.0 1.8 5.0 615 500 A 66 PHE H A 58 PRO HA 1.0 1.8 5.0 616 501 A 58 PRO HDx A 72 LEU HD2% 1.0 1.8 6.0 617 502 A 59 CYS H A 59 CYS HBy 1.0 1.8 3.5 618 503 A 59 CYS H A 59 CYS HBx 1.0 1.8 3.5 619 504 A 59 CYS H A 60 LYS H 1.0 1.8 5.0 620 505 A 59 CYS HA A 60 LYS H 1.0 1.8 3.5 621 506 A 59 CYS HA A 60 LYS HA 1.0 1.8 5.0 622 507 A 59 CYS HA A 60 LYS HBy 1.0 1.8 5.0 623 507 A 59 CYS HA A 60 LYS HBx 1.0 1.8 5.0 624 508 A 59 CYS HA A 60 LYS HEx 1.0 1.8 6.0 625 508 A 59 CYS HA A 60 LYS HEy 1.0 1.8 6.0 626 509 A 59 CYS HBy A 60 LYS H 1.0 1.8 5.0 627 510 A 59 CYS HBx A 60 LYS H 1.0 1.8 5.0 628 511 A 59 CYS HA A 61 TYR H 1.0 1.8 5.0 629 512 A 59 CYS HBx A 61 TYR H 1.0 1.8 5.0 630 513 A 59 CYS HA A 62 CYS H 1.0 1.8 6.0 631 514 A 59 CYS HBy A 62 CYS H 1.0 1.8 6.0 632 515 A 59 CYS HBx A 62 CYS H 1.0 1.8 5.0 633 516 A 59 CYS HBy A 64 ALA HB% 1.0 1.8 5.0 634 517 A 59 CYS HBx A 64 ALA HB% 1.0 1.8 5.0 635 518 A 59 CYS H A 65 THR H 1.0 1.8 6.0 636 519 A 65 THR HA A 59 CYS H 1.0 1.8 5.0 637 520 A 65 THR HG2% A 59 CYS H 1.0 1.8 5.0 638 521 A 59 CYS HBy A 66 PHE HE% 1.0 1.8 5.0 639 522 A 59 CYS HBx A 66 PHE HE% 1.0 1.8 6.0 640 523 A 72 LEU HD1% A 59 CYS H 1.0 1.8 5.0 641 524 A 59 CYS HA A 72 LEU HG 1.0 1.8 5.0 642 525 A 59 CYS HA A 72 LEU HD1% 1.0 1.8 3.5 643 526 A 59 CYS HA A 72 LEU HD2% 1.0 1.8 5.0 644 527 A 72 LEU HD1% A 59 CYS HBy 1.0 1.8 5.0 645 528 A 72 LEU HD1% A 59 CYS HBx 1.0 1.8 5.0 646 529 A 59 CYS HBy A 75 HIS HD2 1.0 1.8 6.0 647 530 A 59 CYS HBx A 75 HIS HD2 1.0 1.8 6.0 648 531 A 59 CYS HBy A 76 ILE HG1y 1.0 1.8 5.0 649 532 A 59 CYS HBy A 76 ILE HD1% 1.0 1.8 6.0 650 533 A 60 LYS H A 60 LYS HGy 1.0 1.8 5.0 651 534 A 60 LYS H A 60 LYS HGx 1.0 1.8 5.0 652 535 A 60 LYS H A 60 LYS HBy 1.0 1.8 3.5 653 535 A 60 LYS H A 60 LYS HBx 1.0 1.8 3.5 654 536 A 60 LYS H A 60 LYS HGx 1.0 1.8 3.5 655 536 A 60 LYS H A 60 LYS HGy 1.0 1.8 3.5 656 537 A 60 LYS HA A 60 LYS HDx 1.0 1.8 5.0 657 537 A 60 LYS HA A 60 LYS HDy 1.0 1.8 5.0 658 538 A 60 LYS HEy A 60 LYS HGy 1.0 1.8 5.0 659 538 A 60 LYS HGy A 60 LYS HEx 1.0 1.8 5.0 660 539 A 60 LYS HEx A 60 LYS HGx 1.0 1.8 5.0 661 539 A 60 LYS HEy A 60 LYS HGx 1.0 1.8 5.0 662 540 A 60 LYS HBx A 60 LYS HEx 1.0 1.8 5.0 663 540 A 60 LYS HBy A 60 LYS HEx 1.0 1.8 5.0 664 540 A 60 LYS HEy A 60 LYS HBy 1.0 1.8 5.0 665 540 A 60 LYS HBx A 60 LYS HEy 1.0 1.8 5.0 666 541 A 60 LYS H A 61 TYR H 1.0 1.8 3.5 667 542 A 61 TYR HE% A 60 LYS HBy 1.0 1.8 6.0 668 542 A 60 LYS HBx A 61 TYR HE% 1.0 1.8 6.0 669 543 A 61 TYR HD% A 60 LYS HDx 1.0 1.8 6.0 670 543 A 60 LYS HDy A 61 TYR HD% 1.0 1.8 6.0 671 544 A 61 TYR HE% A 60 LYS HDx 1.0 1.8 6.0 672 544 A 60 LYS HDy A 61 TYR HE% 1.0 1.8 6.0 673 545 A 61 TYR H A 60 LYS HGx 1.0 1.8 5.0 674 545 A 61 TYR H A 60 LYS HGy 1.0 1.8 5.0 675 546 A 61 TYR HE% A 60 LYS HGx 1.0 1.8 5.0 676 546 A 60 LYS HGy A 61 TYR HE% 1.0 1.8 5.0 677 547 A 60 LYS H A 76 ILE HD1% 1.0 1.8 5.0 678 548 A 76 ILE HD1% A 60 LYS HEx 1.0 1.8 5.0 679 548 A 60 LYS HEy A 76 ILE HD1% 1.0 1.8 5.0 680 549 A 61 TYR H A 61 TYR HD% 1.0 1.8 5.0 681 550 A 61 TYR H A 61 TYR HE% 1.0 1.8 5.0 682 551 A 61 TYR HD% A 61 TYR HA 1.0 1.8 3.5 683 552 A 61 TYR HE% A 61 TYR HA 1.0 1.8 5.0 684 553 A 61 TYR H A 62 CYS H 1.0 1.8 3.5 685 554 A 62 CYS HBy A 61 TYR HBy 1.0 1.8 6.0 686 554 A 61 TYR HBx A 62 CYS HBy 1.0 1.8 6.0 687 555 A 62 CYS H A 61 TYR HD% 1.0 1.8 5.0 688 556 A 61 TYR HD% A 76 ILE HG2% 1.0 1.8 5.0 689 557 A 76 ILE HG1y A 61 TYR HE% 1.0 1.8 5.0 690 558 A 76 ILE HD1% A 61 TYR HE% 1.0 1.8 5.0 691 559 A 61 TYR HE% A 76 ILE HG2% 1.0 1.8 5.0 692 560 A 61 TYR HD% A 80 HIS HBy 1.0 1.8 6.0 693 561 A 61 TYR HD% A 83 GLU HBy 1.0 1.8 6.0 694 561 A 61 TYR HD% A 83 GLU HBx 1.0 1.8 6.0 695 562 A 61 TYR HE% A 83 GLU HBy 1.0 1.8 5.0 696 562 A 61 TYR HE% A 83 GLU HBx 1.0 1.8 5.0 697 563 A 61 TYR HE% A 83 GLU HGx 1.0 1.8 6.0 698 563 A 61 TYR HE% A 83 GLU HGy 1.0 1.8 6.0 699 564 A 62 CYS H A 63 PRO HDx 1.0 1.8 6.0 700 564 A 62 CYS H A 63 PRO HDy 1.0 1.8 6.0 701 565 A 63 PRO HDy A 62 CYS HA 1.0 1.8 3.5 702 566 A 62 CYS HA A 63 PRO HDx 1.0 1.8 3.5 703 567 A 62 CYS HA A 63 PRO HGy 1.0 1.8 5.0 704 568 A 62 CYS HA A 63 PRO HGx 1.0 1.8 5.0 705 569 A 62 CYS HA A 63 PRO HDx 1.0 1.8 3.5 706 569 A 63 PRO HDy A 62 CYS HA 1.0 1.8 3.5 707 570 A 62 CYS HBy A 63 PRO HDy 1.0 1.8 5.0 708 571 A 62 CYS HBy A 63 PRO HDx 1.0 1.8 5.0 709 572 A 62 CYS HBy A 63 PRO HGy 1.0 1.8 5.0 710 573 A 63 PRO HDy A 62 CYS HBx 1.0 1.8 5.0 711 574 A 62 CYS HBx A 63 PRO HDx 1.0 1.8 5.0 712 575 A 62 CYS HBx A 63 PRO HDx 1.0 1.8 5.0 713 575 A 63 PRO HDy A 62 CYS HBx 1.0 1.8 5.0 714 576 A 62 CYS HA A 80 HIS HE1 1.0 1.8 6.0 715 577 A 62 CYS HBy A 80 HIS HE1 1.0 1.8 5.0 716 578 A 62 CYS HBx A 80 HIS HE1 1.0 1.8 5.0 717 579 A 63 PRO HA A 64 ALA HA 1.0 1.8 6.0 718 580 A 63 PRO HGy A 64 ALA HA 1.0 1.8 6.0 719 581 A 64 ALA HB% A 63 PRO HGy 1.0 1.8 5.0 720 582 A 64 ALA H A 63 PRO HDx 1.0 1.8 5.0 721 582 A 63 PRO HDy A 64 ALA H 1.0 1.8 5.0 722 583 A 64 ALA HB% A 64 ALA H 1.0 1.8 3.5 723 584 A 65 THR H A 64 ALA H 1.0 1.8 6.0 724 585 A 65 THR H A 64 ALA HA 1.0 1.8 3.5 725 586 A 65 THR HB A 64 ALA HA 1.0 1.8 6.0 726 587 A 65 THR HA A 64 ALA HB% 1.0 1.8 5.0 727 588 A 65 THR HB A 64 ALA HB% 1.0 1.8 6.0 728 589 A 64 ALA HB% A 66 PHE HZ 1.0 1.8 5.0 729 590 A 64 ALA HB% A 66 PHE HE% 1.0 1.8 3.5 730 591 A 64 ALA HB% A 75 HIS HD2 1.0 1.8 5.0 731 592 A 64 ALA HB% A 75 HIS HE1 1.0 1.8 5.0 732 593 A 65 THR HG2% A 65 THR H 1.0 1.8 5.0 733 594 A 65 THR HG2% A 65 THR HA 1.0 1.8 3.5 734 595 A 66 PHE H A 65 THR HA 1.0 1.8 3.5 735 596 A 65 THR HA A 66 PHE HD% 1.0 1.8 5.0 736 597 A 65 THR HB A 66 PHE H 1.0 1.8 5.0 737 598 A 65 THR HG2% A 66 PHE H 1.0 1.8 3.5 738 599 A 65 THR HG2% A 66 PHE HD% 1.0 1.8 5.0 739 600 A 66 PHE H A 66 PHE HBy 1.0 1.8 3.5 740 601 A 66 PHE H A 66 PHE HD% 1.0 1.8 3.5 741 602 A 66 PHE HD% A 66 PHE HA 1.0 1.8 5.0 742 603 A 66 PHE HBy A 68 SER H 1.0 1.8 5.0 743 604 A 66 PHE HBx A 68 SER H 1.0 1.8 3.5 744 605 A 66 PHE HD% A 68 SER H 1.0 1.8 6.0 745 606 A 66 PHE HD% A 68 SER HBx 1.0 1.8 6.0 746 606 A 66 PHE HD% A 68 SER HBy 1.0 1.8 6.0 747 607 A 66 PHE HBy A 72 LEU H 1.0 1.8 5.0 748 608 A 66 PHE HBy A 72 LEU HA 1.0 1.8 5.0 749 609 A 66 PHE HBy A 72 LEU HBy 1.0 1.8 5.0 750 610 A 66 PHE HBy A 72 LEU HBx 1.0 1.8 5.0 751 611 A 66 PHE HBy A 72 LEU HD1% 1.0 1.8 5.0 752 612 A 66 PHE HBy A 72 LEU HD2% 1.0 1.8 5.0 753 613 A 66 PHE HBx A 72 LEU HBy 1.0 1.8 5.0 754 614 A 66 PHE HD% A 72 LEU HD1% 1.0 1.8 3.5 755 615 A 66 PHE HE% A 72 LEU HA 1.0 1.8 5.0 756 616 A 72 LEU HD1% A 66 PHE HE% 1.0 1.8 5.0 757 617 A 66 PHE HZ A 75 HIS HBy 1.0 1.8 5.0 758 618 A 66 PHE HE% A 75 HIS HBy 1.0 1.8 5.0 759 619 A 66 PHE HE% A 75 HIS HBx 1.0 1.8 5.0 760 620 A 67 TYR HD% A 67 TYR HA 1.0 1.8 3.5 761 621 A 68 SER H A 69 SER H 1.0 1.8 5.0 762 622 A 68 SER HA A 69 SER H 1.0 1.8 3.5 763 623 A 69 SER HA A 68 SER HBx 1.0 1.8 5.0 764 623 A 69 SER HA A 68 SER HBy 1.0 1.8 5.0 765 624 A 68 SER HA A 70 PRO HDy 1.0 1.8 5.0 766 625 A 68 SER HA A 70 PRO HDx 1.0 1.8 6.0 767 626 A 70 PRO HDy A 68 SER HBx 1.0 1.8 3.5 768 626 A 68 SER HBy A 70 PRO HDy 1.0 1.8 3.5 769 627 A 70 PRO HDx A 68 SER HBx 1.0 1.8 5.0 770 627 A 68 SER HBy A 70 PRO HDx 1.0 1.8 5.0 771 628 A 68 SER HBy A 70 PRO HGy 1.0 1.8 5.0 772 628 A 68 SER HBx A 70 PRO HGy 1.0 1.8 5.0 773 628 A 70 PRO HGx A 68 SER HBx 1.0 1.8 5.0 774 628 A 68 SER HBy A 70 PRO HGx 1.0 1.8 5.0 775 629 A 71 GLY H A 68 SER HBx 1.0 1.8 5.0 776 629 A 68 SER HBy A 71 GLY H 1.0 1.8 5.0 777 630 A 68 SER H A 72 LEU H 1.0 1.8 6.0 778 631 A 72 LEU H A 68 SER HBx 1.0 1.8 6.0 779 631 A 72 LEU H A 68 SER HBy 1.0 1.8 6.0 780 632 A 70 PRO HDx A 69 SER HBy 1.0 1.8 3.5 781 632 A 69 SER HBx A 70 PRO HDx 1.0 1.8 3.5 782 633 A 69 SER HA A 72 LEU H 1.0 1.8 6.0 783 634 A 69 SER HA A 72 LEU HBx 1.0 1.8 5.0 784 635 A 69 SER HA A 72 LEU HD2% 1.0 1.8 5.0 785 636 A 71 GLY H A 70 PRO HBy 1.0 1.8 5.0 786 637 A 70 PRO HBy A 71 GLY HAy 1.0 1.8 5.0 787 638 A 70 PRO HDy A 71 GLY H 1.0 1.8 5.0 788 639 A 70 PRO HDx A 71 GLY H 1.0 1.8 5.0 789 640 A 71 GLY H A 70 PRO HGy 1.0 1.8 5.0 790 640 A 70 PRO HGx A 71 GLY H 1.0 1.8 5.0 791 641 A 70 PRO HA A 73 THR H 1.0 1.8 5.0 792 642 A 70 PRO HA A 73 THR HB 1.0 1.8 5.0 793 643 A 70 PRO HA A 73 THR HG2% 1.0 1.8 5.0 794 644 A 70 PRO HA A 74 ARG H 1.0 1.8 5.0 795 645 A 72 LEU H A 71 GLY H 1.0 1.8 3.5 796 646 A 73 THR H A 71 GLY HAx 1.0 1.8 6.0 797 647 A 71 GLY HAy A 74 ARG H 1.0 1.8 5.0 798 648 A 71 GLY HAy A 74 ARG HBy 1.0 1.8 5.0 799 649 A 72 LEU H A 72 LEU HBy 1.0 1.8 3.5 800 650 A 72 LEU H A 72 LEU HBx 1.0 1.8 3.5 801 651 A 72 LEU H A 72 LEU HG 1.0 1.8 5.0 802 652 A 72 LEU H A 72 LEU HD2% 1.0 1.8 5.0 803 653 A 72 LEU HD1% A 72 LEU HA 1.0 1.8 3.5 804 654 A 72 LEU HD2% A 72 LEU HA 1.0 1.8 5.0 805 655 A 72 LEU HD2% A 72 LEU HBx 1.0 1.8 3.5 806 656 A 72 LEU H A 73 THR H 1.0 1.8 3.5 807 657 A 72 LEU HBy A 73 THR H 1.0 1.8 5.0 808 658 A 72 LEU HBx A 73 THR H 1.0 1.8 5.0 809 659 A 72 LEU HG A 73 THR H 1.0 1.8 5.0 810 660 A 72 LEU HG A 73 THR HA 1.0 1.8 5.0 811 661 A 72 LEU HD2% A 73 THR H 1.0 1.8 5.0 812 662 A 72 LEU HD2% A 73 THR HA 1.0 1.8 5.0 813 663 A 72 LEU HA A 75 HIS H 1.0 1.8 5.0 814 664 A 72 LEU HA A 75 HIS HBy 1.0 1.8 6.0 815 665 A 72 LEU HA A 75 HIS HBx 1.0 1.8 6.0 816 666 A 72 LEU HBx A 75 HIS H 1.0 1.8 6.0 817 667 A 72 LEU HG A 75 HIS H 1.0 1.8 6.0 818 668 A 72 LEU HD1% A 75 HIS HBy 1.0 1.8 6.0 819 669 A 72 LEU HD1% A 75 HIS HBx 1.0 1.8 5.0 820 670 A 72 LEU HG A 76 ILE HD1% 1.0 1.8 3.5 821 671 A 72 LEU HD1% A 76 ILE H 1.0 1.8 6.0 822 672 A 72 LEU HD1% A 76 ILE HG1x 1.0 1.8 5.0 823 673 A 72 LEU HD1% A 76 ILE HD1% 1.0 1.8 5.0 824 674 A 73 THR H A 73 THR HB 1.0 1.8 3.5 825 675 A 73 THR H A 73 THR HG2% 1.0 1.8 5.0 826 676 A 73 THR HG2% A 73 THR HA 1.0 1.8 3.5 827 677 A 73 THR H A 74 ARG H 1.0 1.8 3.5 828 678 A 73 THR HB A 74 ARG H 1.0 1.8 5.0 829 679 A 73 THR HB A 74 ARG HGy 1.0 1.8 6.0 830 679 A 73 THR HB A 74 ARG HGx 1.0 1.8 6.0 831 680 A 73 THR HG2% A 74 ARG H 1.0 1.8 5.0 832 681 A 73 THR HG2% A 74 ARG HA 1.0 1.8 5.0 833 682 A 73 THR HG2% A 74 ARG HGy 1.0 1.8 5.0 834 682 A 73 THR HG2% A 74 ARG HGx 1.0 1.8 5.0 835 683 A 73 THR HA A 75 HIS H 1.0 1.8 5.0 836 684 A 73 THR HB A 75 HIS H 1.0 1.8 6.0 837 685 A 73 THR HG2% A 75 HIS H 1.0 1.8 6.0 838 686 A 73 THR HA A 76 ILE H 1.0 1.8 5.0 839 687 A 73 THR HA A 76 ILE HB 1.0 1.8 5.0 840 688 A 73 THR HA A 76 ILE HG1x 1.0 1.8 5.0 841 689 A 76 ILE HD1% A 73 THR HA 1.0 1.8 5.0 842 690 A 76 ILE HG2% A 73 THR HA 1.0 1.8 5.0 843 691 A 73 THR HA A 77 ASN H 1.0 1.8 6.0 844 692 A 73 THR HG2% A 77 ASN HD21 1.0 1.8 5.0 845 692 A 73 THR HG2% A 77 ASN HD22 1.0 1.8 5.0 846 693 A 74 ARG H A 74 ARG HBy 1.0 1.8 3.5 847 694 A 74 ARG H A 74 ARG HGy 1.0 1.8 3.5 848 694 A 74 ARG H A 74 ARG HGx 1.0 1.8 3.5 849 695 A 74 ARG HA A 74 ARG HGy 1.0 1.8 3.5 850 695 A 74 ARG HGx A 74 ARG HA 1.0 1.8 3.5 851 696 A 74 ARG H A 75 HIS H 1.0 1.8 3.5 852 697 A 74 ARG HBy A 75 HIS H 1.0 1.8 5.0 853 698 A 75 HIS HBy A 74 ARG HBy 1.0 1.8 6.0 854 699 A 75 HIS H A 74 ARG HBx 1.0 1.8 5.0 855 700 A 74 ARG HA A 77 ASN H 1.0 1.8 5.0 856 701 A 74 ARG HA A 77 ASN HBy 1.0 1.8 5.0 857 702 A 74 ARG HA A 77 ASN HBx 1.0 1.8 5.0 858 703 A 74 ARG HA A 78 LYS H 1.0 1.8 5.0 859 704 A 74 ARG HBx A 78 LYS H 1.0 1.8 6.0 860 705 A 75 HIS HBy A 75 HIS H 1.0 1.8 3.5 861 706 A 75 HIS HBx A 75 HIS H 1.0 1.8 3.5 862 707 A 75 HIS H A 76 ILE H 1.0 1.8 3.5 863 708 A 75 HIS HBy A 76 ILE H 1.0 1.8 5.0 864 709 A 75 HIS HBx A 76 ILE H 1.0 1.8 5.0 865 710 A 75 HIS H A 78 LYS H 1.0 1.8 5.0 866 711 A 78 LYS H A 75 HIS HA 1.0 1.8 5.0 867 712 A 75 HIS HA A 78 LYS HBx 1.0 1.8 5.0 868 712 A 75 HIS HA A 78 LYS HBy 1.0 1.8 5.0 869 713 A 75 HIS HA A 79 CYS H 1.0 1.8 5.0 870 714 A 75 HIS HE1 A 79 CYS HBy 1.0 1.8 6.0 871 715 A 75 HIS HE1 A 79 CYS HBx 1.0 1.8 6.0 872 716 A 75 HIS HE1 A 79 CYS HBy 1.0 1.8 5.0 873 716 A 75 HIS HE1 A 79 CYS HBx 1.0 1.8 5.0 874 717 A 76 ILE H A 76 ILE HB 1.0 1.8 3.5 875 718 A 76 ILE HG1y A 76 ILE H 1.0 1.8 5.0 876 719 A 76 ILE H A 76 ILE HG1x 1.0 1.8 3.5 877 720 A 76 ILE HD1% A 76 ILE H 1.0 1.8 5.0 878 721 A 76 ILE HD1% A 76 ILE HA 1.0 1.8 5.0 879 722 A 76 ILE HG2% A 76 ILE HA 1.0 1.8 3.5 880 723 A 76 ILE HD1% A 76 ILE HB 1.0 1.8 3.5 881 724 A 76 ILE HG1y A 76 ILE HG2% 1.0 1.8 3.5 882 725 A 76 ILE HG2% A 76 ILE HG1x 1.0 1.8 5.0 883 726 A 76 ILE H A 77 ASN H 1.0 1.8 3.5 884 727 A 76 ILE HB A 77 ASN H 1.0 1.8 3.5 885 728 A 76 ILE HG1y A 77 ASN H 1.0 1.8 6.0 886 729 A 76 ILE HD1% A 77 ASN H 1.0 1.8 5.0 887 730 A 76 ILE HG2% A 77 ASN H 1.0 1.8 5.0 888 731 A 76 ILE HG2% A 77 ASN HA 1.0 1.8 5.0 889 732 A 76 ILE HB A 78 LYS H 1.0 1.8 6.0 890 733 A 80 HIS HBy A 76 ILE HA 1.0 1.8 5.0 891 734 A 76 ILE HD1% A 80 HIS HBy 1.0 1.8 6.0 892 735 A 76 ILE HG2% A 80 HIS H 1.0 1.8 6.0 893 736 A 76 ILE HG2% A 80 HIS HBx 1.0 1.8 5.0 894 737 A 76 ILE HG2% A 81 PRO HA 1.0 1.8 6.0 895 738 A 76 ILE HG2% A 83 GLU HBy 1.0 1.8 5.0 896 738 A 76 ILE HG2% A 83 GLU HBx 1.0 1.8 5.0 897 739 A 76 ILE HG2% A 83 GLU HGx 1.0 1.8 5.0 898 739 A 76 ILE HG2% A 83 GLU HGy 1.0 1.8 5.0 899 740 A 77 ASN H A 77 ASN HBy 1.0 1.8 3.5 900 741 A 77 ASN H A 78 LYS H 1.0 1.8 3.5 901 742 A 77 ASN HBy A 78 LYS H 1.0 1.8 5.0 902 743 A 77 ASN HBy A 78 LYS HBx 1.0 1.8 5.0 903 743 A 77 ASN HBy A 78 LYS HBy 1.0 1.8 5.0 904 744 A 77 ASN HBx A 78 LYS H 1.0 1.8 5.0 905 745 A 77 ASN HBx A 78 LYS HBx 1.0 1.8 5.0 906 745 A 77 ASN HBx A 78 LYS HBy 1.0 1.8 5.0 907 746 A 77 ASN HBy A 79 CYS H 1.0 1.8 6.0 908 747 A 78 LYS H A 78 LYS HBx 1.0 1.8 3.5 909 747 A 78 LYS H A 78 LYS HBy 1.0 1.8 3.5 910 748 A 78 LYS H A 78 LYS HGx 1.0 1.8 5.0 911 748 A 78 LYS H A 78 LYS HGy 1.0 1.8 5.0 912 749 A 78 LYS HA A 78 LYS HDx 1.0 1.8 5.0 913 749 A 78 LYS HA A 78 LYS HDy 1.0 1.8 5.0 914 750 A 78 LYS HA A 78 LYS HEx 1.0 1.8 5.0 915 750 A 78 LYS HA A 78 LYS HEy 1.0 1.8 5.0 916 751 A 78 LYS HBx A 78 LYS HDx 1.0 1.8 5.0 917 751 A 78 LYS HDy A 78 LYS HBx 1.0 1.8 5.0 918 751 A 78 LYS HBy A 78 LYS HDy 1.0 1.8 5.0 919 751 A 78 LYS HBy A 78 LYS HDx 1.0 1.8 5.0 920 752 A 78 LYS H A 79 CYS H 1.0 1.8 3.5 921 753 A 79 CYS H A 78 LYS HBx 1.0 1.8 3.5 922 753 A 78 LYS HBy A 79 CYS H 1.0 1.8 3.5 923 754 A 79 CYS HA A 78 LYS HBx 1.0 1.8 5.0 924 754 A 78 LYS HBy A 79 CYS HA 1.0 1.8 5.0 925 755 A 79 CYS H A 78 LYS HGx 1.0 1.8 5.0 926 755 A 79 CYS H A 78 LYS HGy 1.0 1.8 5.0 927 756 A 79 CYS HA A 78 LYS HGx 1.0 1.8 5.0 928 756 A 78 LYS HGy A 79 CYS HA 1.0 1.8 5.0 929 757 A 80 HIS H A 78 LYS HBx 1.0 1.8 5.0 930 757 A 78 LYS HBy A 80 HIS H 1.0 1.8 5.0 931 758 A 79 CYS H A 79 CYS HBy 1.0 1.8 3.5 932 758 A 79 CYS H A 79 CYS HBx 1.0 1.8 3.5 933 759 A 79 CYS H A 80 HIS H 1.0 1.8 3.5 934 760 A 80 HIS H A 79 CYS HBy 1.0 1.8 5.0 935 761 A 79 CYS HBx A 80 HIS H 1.0 1.8 5.0 936 762 A 79 CYS H A 81 PRO HDx 1.0 1.8 5.0 937 763 A 79 CYS HA A 81 PRO HDx 1.0 1.8 5.0 938 764 A 80 HIS H A 81 PRO HDy 1.0 1.8 5.0 939 765 A 80 HIS H A 81 PRO HDx 1.0 1.8 5.0 940 766 A 81 PRO HDy A 80 HIS HA 1.0 1.8 3.5 941 767 A 80 HIS HA A 81 PRO HGy 1.0 1.8 5.0 942 767 A 80 HIS HA A 81 PRO HGx 1.0 1.8 5.0 943 768 A 80 HIS HA A 83 GLU HGx 1.0 1.8 5.0 944 768 A 83 GLU HGy A 80 HIS HA 1.0 1.8 5.0 945 769 A 83 GLU HGy A 80 HIS HBx 1.0 1.8 5.0 946 770 A 80 HIS HBx A 83 GLU HGx 1.0 1.8 5.0 947 771 A 80 HIS HBx A 83 GLU HGx 1.0 1.8 5.0 948 771 A 83 GLU HGy A 80 HIS HBx 1.0 1.8 5.0 949 772 A 81 PRO HA A 82 SER HBy 1.0 1.8 6.0 950 772 A 81 PRO HA A 82 SER HBx 1.0 1.8 6.0 951 773 A 81 PRO HA A 83 GLU HGx 1.0 1.8 6.0 952 773 A 83 GLU HGy A 81 PRO HA 1.0 1.8 6.0 953 774 A 83 GLU HGy A 83 GLU H 1.0 1.8 5.0 954 775 A 83 GLU H A 83 GLU HGx 1.0 1.8 5.0 955 776 A 84 ASN HA A 85 ARG H 1.0 1.8 3.5 956 777 A 84 ASN HBx A 85 ARG HBy 1.0 1.8 6.0 957 777 A 84 ASN HBy A 85 ARG HBy 1.0 1.8 6.0 958 777 A 85 ARG HBx A 84 ASN HBy 1.0 1.8 6.0 959 777 A 84 ASN HBx A 85 ARG HBx 1.0 1.8 6.0 960 778 A 85 ARG H A 85 ARG HBy 1.0 1.8 3.5 961 778 A 85 ARG H A 85 ARG HBx 1.0 1.8 3.5 962 779 A 85 ARG H A 85 ARG HDx 1.0 1.8 6.0 963 779 A 85 ARG H A 85 ARG HDy 1.0 1.8 6.0 964 780 A 85 ARG H A 85 ARG HGx 1.0 1.8 5.0 965 780 A 85 ARG H A 85 ARG HGy 1.0 1.8 5.0 966 781 A 85 ARG HA A 85 ARG HDx 1.0 1.8 5.0 967 781 A 85 ARG HDy A 85 ARG HA 1.0 1.8 5.0 968 782 A 85 ARG HBy A 85 ARG HDx 1.0 1.8 3.5 969 782 A 85 ARG HBx A 85 ARG HDx 1.0 1.8 3.5 970 782 A 85 ARG HDy A 85 ARG HBy 1.0 1.8 3.5 971 782 A 85 ARG HBx A 85 ARG HDy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 28 CYS C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -154.7 -66.9 PHI 2 2 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 LEU N 1.0 117.9 157.9 PSI 3 3 A 29 HIS C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -142.5 -90.5 PHI 4 4 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 CYS N 1.0 109.7 149.7 PSI 5 5 A 30 LEU C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -168.0 -56.2 PHI 6 6 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 PRO N 1.0 75.6 169.6 PSI 7 7 A 34 CYS C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -157.5 -17.5 PHI 8 8 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLU N 1.0 113.7 231.1 PSI 9 9 A 36 GLU C A 37 SER N A 37 SER CA A 37 SER C 1.0 -188.5 -48.5 PHI 10 10 A 37 SER N A 37 SER CA A 37 SER C A 38 PHE N 1.0 117.0 183.8 PSI 11 11 A 37 SER C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -190.1 -71.5 PHI 12 12 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 ALA N 1.0 129.4 171.0 PSI 13 13 A 40 SER C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -83.0 -43.0 PHI 14 14 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 GLY N 1.0 -60.3 -17.1 PSI 15 15 A 41 LYS C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -83.9 -43.9 PHI 16 16 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ALA N 1.0 -62.4 -22.4 PSI 17 17 A 42 GLY C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -84.3 -44.3 PHI 18 18 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 GLN N 1.0 -57.4 -17.4 PSI 19 19 A 43 ALA C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -86.1 -46.1 PHI 20 20 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 GLU N 1.0 -61.4 -21.4 PSI 21 21 A 44 GLN C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -84.1 -44.1 PHI 22 22 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ARG N 1.0 -60.8 -20.8 PSI 23 23 A 45 GLU C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -86.3 -46.3 PHI 24 24 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 HIS N 1.0 -61.1 -21.1 PSI 25 25 A 46 ARG C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -86.0 -46.0 PHI 26 26 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 LEU N 1.0 -61.0 -21.0 PSI 27 27 A 47 HIS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -83.6 -43.6 PHI 28 28 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 ARG N 1.0 -63.5 -23.5 PSI 29 29 A 48 LEU C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -80.3 -40.3 PHI 30 30 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 LEU N 1.0 -60.2 -20.2 PSI 31 31 A 55 GLN C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -184.4 -69.2 PHI 32 32 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 PHE N 1.0 115.8 196.2 PSI 33 33 A 56 VAL C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -131.2 -63.0 PHI 34 34 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 PRO N 1.0 84.0 168.0 PSI 35 35 A 58 PRO C A 59 CYS N A 59 CYS CA A 59 CYS C 1.0 -152.1 -44.9 PHI 36 36 A 59 CYS N A 59 CYS CA A 59 CYS C A 60 LYS N 1.0 105.6 162.8 PSI 37 37 A 61 TYR C A 62 CYS N A 62 CYS CA A 62 CYS C 1.0 -131.2 -42.4 PHI 38 38 A 62 CYS N A 62 CYS CA A 62 CYS C A 63 PRO N 1.0 101.6 182.0 PSI 39 39 A 64 ALA C A 65 THR N A 65 THR CA A 65 THR C 1.0 -190.9 -93.3 PHI 40 40 A 65 THR N A 65 THR CA A 65 THR C A 66 PHE N 1.0 89.8 208.6 PSI 41 41 A 65 THR C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -174.5 -92.3 PHI 42 42 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 TYR N 1.0 118.6 166.2 PSI 43 43 A 67 TYR C A 68 SER N A 68 SER CA A 68 SER C 1.0 -180.7 -79.5 PHI 44 44 A 68 SER N A 68 SER CA A 68 SER C A 69 SER N 1.0 137.1 177.1 PSI 45 45 A 70 PRO C A 71 GLY N A 71 GLY CA A 71 GLY C 1.0 -87.7 -47.7 PHI 46 46 A 71 GLY N A 71 GLY CA A 71 GLY C A 72 LEU N 1.0 -54.7 -9.9 PSI 47 47 A 71 GLY C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -84.4 -44.4 PHI 48 48 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 THR N 1.0 -60.5 -20.5 PSI 49 49 A 72 LEU C A 73 THR N A 73 THR CA A 73 THR C 1.0 -82.2 -42.2 PHI 50 50 A 73 THR N A 73 THR CA A 73 THR C A 74 ARG N 1.0 -65.9 -25.9 PSI 51 51 A 73 THR C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -83.3 -43.3 PHI 52 52 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 HIS N 1.0 -60.8 -20.8 PSI 53 53 A 74 ARG C A 75 HIS N A 75 HIS CA A 75 HIS C 1.0 -87.3 -47.3 PHI 54 54 A 75 HIS N A 75 HIS CA A 75 HIS C A 76 ILE N 1.0 -59.6 -19.6 PSI 55 55 A 75 HIS C A 76 ILE N A 76 ILE CA A 76 ILE C 1.0 -83.6 -43.6 PHI 56 56 A 76 ILE N A 76 ILE CA A 76 ILE C A 77 ASN N 1.0 -63.7 -23.7 PSI 57 57 A 76 ILE C A 77 ASN N A 77 ASN CA A 77 ASN C 1.0 -83.3 -43.3 PHI 58 58 A 77 ASN N A 77 ASN CA A 77 ASN C A 78 LYS N 1.0 -58.4 -9.4 PSI 59 59 A 77 ASN C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -90.9 -50.9 PHI 60 60 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 CYS N 1.0 -59.1 -19.1 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H . 2 15N . 3 1H . stop_ save_ save_Cnoesy_ali.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_ali.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H . 2 13C . 3 1H . stop_ save_ save_NUS_Cnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode NUS_Cnoesy.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H . 2 13C . 3 1H . stop_ save_ save_Cnoesy_aro.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aro.list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H . 2 13C . 3 1H . stop_ save_ save_4d_ccnoesy.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4d_ccnoesy.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8000 2 13C 4197.272 3 13C 3121.342 4 1H 3121.342 stop_ save_