data_nef_c18963_2m3h 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 12 CYS SG 2 1 ZN ZN 1 55 CYS SG 2 2 ZN ZN 1 10 CYS SG 2 1 ZN ZN 1 24 CYS SG 2 2 ZN ZN 1 32 HIS ND1 2 1 ZN ZN 1 27 CYS SG 2 2 ZN ZN 1 58 CYS SG 2 2 ZN ZN 1 35 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 MET middle . . 4 A 4 ASP middle . . 5 A 5 PRO middle . false 6 A 6 ASN middle . . 7 A 7 ALA middle . . 8 A 8 LEU middle . . 9 A 9 TYR middle . . 10 A 10 CYS middle -HG . 11 A 11 ILE middle . . 12 A 12 CYS middle -HG . 13 A 13 ARG middle . . 14 A 14 GLN middle . . 15 A 15 PRO middle . false 16 A 16 HIS middle . . 17 A 17 ASN middle . . 18 A 18 ASN middle . . 19 A 19 ARG middle . . 20 A 20 PHE middle . . 21 A 21 MET middle . . 22 A 22 ILE middle . . 23 A 23 CYS middle . . 24 A 24 CYS middle -HG . 25 A 25 ASP middle . . 26 A 26 ARG middle . . 27 A 27 CYS middle -HG . 28 A 28 GLU middle . . 29 A 29 GLU middle . . 30 A 30 TRP middle . . 31 A 31 PHE middle . . 32 A 32 HIS middle -HD1 . 33 A 33 GLY middle . false 34 A 34 ASP middle . . 35 A 35 CYS middle -HG . 36 A 36 VAL middle . . 37 A 37 GLY middle . false 38 A 38 ILE middle . . 39 A 39 SER middle . . 40 A 40 GLU middle . . 41 A 41 ALA middle . . 42 A 42 ARG middle . . 43 A 43 GLY middle . false 44 A 44 ARG middle . . 45 A 45 LEU middle . . 46 A 46 LEU middle . . 47 A 47 GLU middle . . 48 A 48 ARG middle . . 49 A 49 ASN middle . . 50 A 50 GLY middle . false 51 A 51 GLU middle . . 52 A 52 ASP middle . . 53 A 53 TYR middle . . 54 A 54 ILE middle . . 55 A 55 CYS middle -HG . 56 A 56 PRO middle . false 57 A 57 ASN middle . . 58 A 58 CYS middle -HG . 59 A 59 THR middle . . 60 A 60 ILE middle . . 61 A 61 LEU end . . 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 SER HA H 1 4.48 0.013 A 2 SER HBx H 1 3.77 0.013 A 2 SER HBy H 1 3.81 0.013 A 3 MET H H 1 8.34 0.013 A 3 MET HA H 1 4.10 0.013 A 3 MET HBx H 1 1.17 0.013 A 3 MET HBy H 1 1.40 0.013 A 3 MET HE% H 1 0.69 0.013 A 3 MET HGx H 1 1.45 0.013 A 3 MET HGy H 1 1.49 0.013 A 4 ASP H H 1 8.43 0.013 A 4 ASP HA H 1 4.96 0.013 A 4 ASP HBx H 1 2.66 0.013 A 4 ASP HBy H 1 2.89 0.013 A 5 PRO HA H 1 4.41 0.013 A 5 PRO HBy H 1 2.32 0.013 A 5 PRO HBx H 1 2.03 0.013 A 5 PRO HDx H 1 3.93 0.013 A 5 PRO HDy H 1 3.97 0.013 A 5 PRO HGx H 1 1.94 0.013 A 5 PRO HGy H 1 2.08 0.013 A 6 ASN H H 1 8.66 0.013 A 6 ASN HA H 1 4.86 0.013 A 6 ASN HBx H 1 2.65 0.013 A 6 ASN HBy H 1 2.81 0.013 A 6 ASN HD2y H 1 7.89 0.013 A 6 ASN HD2x H 1 6.97 0.013 A 7 ALA H H 1 7.14 0.013 A 7 ALA HA H 1 4.05 0.013 A 7 ALA HB% H 1 1.08 0.013 A 8 LEU H H 1 7.78 0.013 A 8 LEU HA H 1 3.88 0.013 A 8 LEU HBx H 1 0.59 0.013 A 8 LEU HBy H 1 1.55 0.013 A 8 LEU HDx% H 1 0.62 0.013 A 8 LEU HDy% H 1 0.82 0.013 A 8 LEU HG H 1 1.55 0.013 A 9 TYR H H 1 7.80 0.013 A 9 TYR HA H 1 4.83 0.013 A 9 TYR HBx H 1 2.06 0.013 A 9 TYR HBy H 1 2.98 0.013 A 9 TYR HDx H 1 7.15 0.013 A 9 TYR HDy H 1 7.15 0.013 A 9 TYR HEx H 1 6.94 0.013 A 9 TYR HEy H 1 6.94 0.013 A 10 CYS H H 1 7.76 0.013 A 10 CYS HA H 1 3.93 0.013 A 10 CYS HBx H 1 2.37 0.013 A 10 CYS HBy H 1 4.76 0.013 A 11 ILE H H 1 10.08 0.013 A 11 ILE HA H 1 4.44 0.013 A 11 ILE HB H 1 2.22 0.013 A 11 ILE HD1% H 1 1.05 0.013 A 11 ILE HG1x H 1 1.57 0.013 A 11 ILE HG1y H 1 1.79 0.013 A 11 ILE HG2% H 1 1.27 0.013 A 12 CYS H H 1 7.59 0.013 A 12 CYS HA H 1 4.64 0.013 A 12 CYS HBx H 1 3.15 0.013 A 12 CYS HBy H 1 3.28 0.013 A 13 ARG H H 1 7.69 0.013 A 13 ARG HA H 1 3.89 0.013 A 13 ARG HBx H 1 1.70 0.013 A 13 ARG HBy H 1 2.33 0.013 A 13 ARG HDx H 1 3.14 0.013 A 13 ARG HDy H 1 3.23 0.013 A 13 ARG HE H 1 6.91 0.013 A 13 ARG HGx H 1 1.55 0.013 A 13 ARG HGy H 1 1.72 0.013 A 14 GLN H H 1 8.11 0.013 A 14 GLN HA H 1 5.06 0.013 A 14 GLN HBx H 1 2.15 0.013 A 14 GLN HBy H 1 2.26 0.013 A 14 GLN HE2y H 1 7.34 0.013 A 14 GLN HE2x H 1 6.84 0.013 A 14 GLN HGx H 1 2.49 0.013 A 14 GLN HGy H 1 2.49 0.013 A 15 PRO HA H 1 5.25 0.013 A 15 PRO HBy H 1 2.50 0.013 A 15 PRO HBx H 1 1.89 0.013 A 15 PRO HDx H 1 3.56 0.013 A 15 PRO HDy H 1 3.69 0.013 A 15 PRO HGx H 1 1.85 0.013 A 15 PRO HGy H 1 1.98 0.013 A 16 HIS H H 1 9.80 0.013 A 16 HIS HA H 1 4.47 0.013 A 16 HIS HBx H 1 2.97 0.013 A 16 HIS HBy H 1 3.20 0.013 A 17 ASN H H 1 8.45 0.013 A 17 ASN HA H 1 4.17 0.013 A 17 ASN HBx H 1 2.42 0.013 A 17 ASN HBy H 1 3.05 0.013 A 17 ASN HD2y H 1 7.28 0.013 A 17 ASN HD2x H 1 6.92 0.013 A 18 ASN H H 1 9.01 0.013 A 18 ASN HA H 1 4.21 0.013 A 18 ASN HBx H 1 2.91 0.013 A 18 ASN HBy H 1 3.05 0.013 A 18 ASN HD2y H 1 7.57 0.013 A 18 ASN HD2x H 1 6.89 0.013 A 19 ARG H H 1 7.71 0.013 A 19 ARG HA H 1 4.43 0.013 A 19 ARG HBx H 1 2.00 0.013 A 19 ARG HBy H 1 2.28 0.013 A 19 ARG HDx H 1 2.95 0.013 A 19 ARG HDy H 1 3.26 0.013 A 19 ARG HE H 1 7.29 0.013 A 19 ARG HGx H 1 1.76 0.013 A 19 ARG HGy H 1 1.88 0.013 A 20 PHE H H 1 8.68 0.013 A 20 PHE HA H 1 4.51 0.013 A 20 PHE HBx H 1 2.92 0.013 A 20 PHE HBy H 1 3.40 0.013 A 20 PHE HDx H 1 7.25 0.013 A 20 PHE HDy H 1 7.25 0.013 A 20 PHE HEx H 1 7.16 0.013 A 20 PHE HEy H 1 7.16 0.013 A 20 PHE HZ H 1 7.05 0.013 A 21 MET H H 1 7.88 0.013 A 21 MET HA H 1 5.31 0.013 A 21 MET HBx H 1 1.59 0.013 A 21 MET HBy H 1 1.81 0.013 A 21 MET HE% H 1 0.90 0.013 A 21 MET HGx H 1 2.26 0.013 A 21 MET HGy H 1 2.42 0.013 A 22 ILE H H 1 9.18 0.013 A 22 ILE HA H 1 4.39 0.013 A 22 ILE HB H 1 1.17 0.013 A 22 ILE HD1% H 1 0.53 0.013 A 22 ILE HG1x H 1 0.64 0.013 A 22 ILE HG1y H 1 1.25 0.013 A 22 ILE HG2% H 1 0.29 0.013 A 23 CYS H H 1 8.00 0.013 A 23 CYS HA H 1 4.39 0.013 A 23 CYS HBx H 1 -0.01 0.013 A 23 CYS HBy H 1 1.58 0.013 A 23 CYS HG H 1 0.10 0.013 A 24 CYS H H 1 8.75 0.013 A 24 CYS HA H 1 4.55 0.013 A 24 CYS HBx H 1 2.82 0.013 A 24 CYS HBy H 1 3.68 0.013 A 25 ASP H H 1 9.39 0.013 A 25 ASP HBx H 1 2.54 0.013 A 25 ASP HBy H 1 2.62 0.013 A 26 ARG H H 1 9.39 0.013 A 26 ARG HA H 1 4.52 0.013 A 26 ARG HBx H 1 2.08 0.013 A 26 ARG HBy H 1 2.17 0.013 A 26 ARG HDx H 1 3.14 0.013 A 26 ARG HDy H 1 3.22 0.013 A 26 ARG HE H 1 7.33 0.013 A 26 ARG HGx H 1 1.63 0.013 A 26 ARG HGy H 1 1.63 0.013 A 27 CYS H H 1 8.55 0.013 A 27 CYS HA H 1 4.77 0.013 A 27 CYS HBx H 1 2.68 0.013 A 27 CYS HBy H 1 3.23 0.013 A 28 GLU H H 1 7.66 0.013 A 28 GLU HA H 1 4.18 0.013 A 28 GLU HBy H 1 2.18 0.013 A 28 GLU HGx H 1 1.97 0.013 A 28 GLU HGy H 1 2.07 0.013 A 29 GLU H H 1 8.22 0.013 A 29 GLU HA H 1 4.63 0.013 A 29 GLU HBx H 1 2.09 0.013 A 29 GLU HBy H 1 2.21 0.013 A 30 TRP H H 1 8.25 0.013 A 30 TRP HA H 1 4.84 0.013 A 30 TRP HBx H 1 2.38 0.013 A 30 TRP HBy H 1 2.38 0.013 A 30 TRP HD1 H 1 7.19 0.013 A 30 TRP HE1 H 1 9.84 0.013 A 30 TRP HE3 H 1 6.87 0.013 A 30 TRP HH2 H 1 7.07 0.013 A 30 TRP HZ2 H 1 7.40 0.013 A 30 TRP HZ3 H 1 6.66 0.013 A 31 PHE H H 1 9.21 0.013 A 31 PHE HA H 1 4.58 0.013 A 31 PHE HBx H 1 2.54 0.013 A 31 PHE HBy H 1 3.29 0.013 A 31 PHE HDx H 1 7.52 0.013 A 31 PHE HDy H 1 7.52 0.013 A 31 PHE HEx H 1 7.22 0.013 A 31 PHE HEy H 1 7.22 0.013 A 31 PHE HZ H 1 7.65 0.013 A 32 HIS H H 1 9.74 0.013 A 32 HIS HA H 1 5.17 0.013 A 32 HIS HBx H 1 3.44 0.013 A 32 HIS HBy H 1 4.20 0.013 A 32 HIS HD2 H 1 7.16 0.013 A 32 HIS HE1 H 1 7.54 0.013 A 32 HIS HE2 H 1 11.52 0.013 A 33 GLY H H 1 9.09 0.013 A 33 GLY HAx H 1 3.65 0.013 A 33 GLY HAy H 1 4.24 0.013 A 34 ASP H H 1 9.11 0.013 A 34 ASP HA H 1 4.40 0.013 A 34 ASP HBx H 1 2.70 0.013 A 34 ASP HBy H 1 2.84 0.013 A 35 CYS H H 1 7.66 0.013 A 35 CYS HA H 1 4.23 0.013 A 35 CYS HBx H 1 3.15 0.013 A 35 CYS HBy H 1 3.46 0.013 A 36 VAL H H 1 7.36 0.013 A 36 VAL HA H 1 4.63 0.013 A 36 VAL HB H 1 2.55 0.013 A 36 VAL HGx% H 1 0.82 0.013 A 36 VAL HGy% H 1 0.87 0.013 A 37 GLY H H 1 7.67 0.013 A 37 GLY HAx H 1 3.90 0.013 A 37 GLY HAy H 1 4.09 0.013 A 38 ILE H H 1 8.51 0.013 A 38 ILE HA H 1 4.34 0.013 A 38 ILE HB H 1 1.69 0.013 A 38 ILE HD1% H 1 0.74 0.013 A 38 ILE HG1x H 1 1.21 0.013 A 38 ILE HG1y H 1 1.21 0.013 A 38 ILE HG2% H 1 0.82 0.013 A 39 SER H H 1 8.01 0.013 A 39 SER HA H 1 4.45 0.013 A 39 SER HBx H 1 3.95 0.013 A 39 SER HBy H 1 4.21 0.013 A 40 GLU H H 1 8.66 0.013 A 40 GLU HA H 1 2.62 0.013 A 40 GLU HBx H 1 1.55 0.013 A 40 GLU HBy H 1 1.67 0.013 A 40 GLU HGx H 1 1.84 0.013 A 40 GLU HGy H 1 1.84 0.013 A 41 ALA H H 1 8.12 0.013 A 41 ALA HA H 1 3.94 0.013 A 41 ALA HB% H 1 1.31 0.013 A 42 ARG H H 1 7.84 0.013 A 42 ARG HA H 1 4.10 0.013 A 42 ARG HBx H 1 1.86 0.013 A 42 ARG HBy H 1 2.01 0.013 A 42 ARG HDx H 1 3.24 0.013 A 42 ARG HDy H 1 3.32 0.013 A 42 ARG HGx H 1 1.66 0.013 A 42 ARG HGy H 1 1.73 0.013 A 43 GLY H H 1 8.84 0.013 A 43 GLY HAx H 1 3.72 0.013 A 43 GLY HAy H 1 3.77 0.013 A 44 ARG H H 1 8.24 0.013 A 44 ARG HA H 1 4.24 0.013 A 44 ARG HBx H 1 1.85 0.013 A 44 ARG HBy H 1 1.89 0.013 A 44 ARG HDx H 1 3.16 0.013 A 44 ARG HDy H 1 3.24 0.013 A 44 ARG HE H 1 7.45 0.013 A 44 ARG HGx H 1 1.75 0.013 A 44 ARG HGy H 1 1.75 0.013 A 45 LEU H H 1 7.61 0.013 A 45 LEU HA H 1 4.14 0.013 A 45 LEU HBx H 1 1.78 0.013 A 45 LEU HDx% H 1 0.87 0.013 A 45 LEU HDy% H 1 0.92 0.013 A 45 LEU HG H 1 1.69 0.013 A 46 LEU H H 1 8.15 0.013 A 46 LEU HA H 1 4.11 0.013 A 46 LEU HBx H 1 1.67 0.013 A 46 LEU HBy H 1 1.95 0.013 A 46 LEU HDx% H 1 0.86 0.013 A 46 LEU HDy% H 1 0.92 0.013 A 46 LEU HG H 1 1.87 0.013 A 47 GLU H H 1 7.80 0.013 A 47 GLU HA H 1 4.19 0.013 A 47 GLU HBx H 1 2.17 0.013 A 47 GLU HBy H 1 2.24 0.013 A 47 GLU HGx H 1 2.27 0.013 A 47 GLU HGy H 1 2.47 0.013 A 48 ARG H H 1 8.25 0.013 A 48 ARG HA H 1 4.16 0.013 A 48 ARG HBx H 1 1.97 0.013 A 48 ARG HBy H 1 1.97 0.013 A 48 ARG HDx H 1 3.22 0.013 A 48 ARG HDy H 1 3.22 0.013 A 48 ARG HE H 1 7.25 0.013 A 48 ARG HGy H 1 1.78 0.013 A 49 ASN H H 1 8.28 0.013 A 49 ASN HA H 1 4.74 0.013 A 49 ASN HBx H 1 2.90 0.013 A 49 ASN HBy H 1 2.98 0.013 A 49 ASN HD2y H 1 7.62 0.013 A 49 ASN HD2x H 1 6.75 0.013 A 50 GLY H H 1 8.06 0.013 A 50 GLY HAx H 1 3.96 0.013 A 50 GLY HAy H 1 3.96 0.013 A 51 GLU H H 1 8.18 0.013 A 51 GLU HA H 1 4.36 0.013 A 51 GLU HBx H 1 1.94 0.013 A 51 GLU HBy H 1 2.05 0.013 A 51 GLU HGx H 1 2.21 0.013 A 51 GLU HGy H 1 2.21 0.013 A 52 ASP H H 1 8.35 0.013 A 52 ASP HA H 1 4.65 0.013 A 52 ASP HBx H 1 2.48 0.013 A 52 ASP HBy H 1 2.48 0.013 A 53 TYR H H 1 9.20 0.013 A 53 TYR HA H 1 4.49 0.013 A 53 TYR HBx H 1 2.85 0.013 A 53 TYR HBy H 1 2.85 0.013 A 53 TYR HDx H 1 6.75 0.013 A 53 TYR HDy H 1 6.75 0.013 A 53 TYR HEx H 1 6.29 0.013 A 53 TYR HEy H 1 6.29 0.013 A 54 ILE H H 1 6.79 0.013 A 54 ILE HA H 1 4.65 0.013 A 54 ILE HB H 1 1.47 0.013 A 54 ILE HD1% H 1 0.72 0.013 A 54 ILE HG1x H 1 0.97 0.013 A 54 ILE HG1y H 1 1.28 0.013 A 54 ILE HG2% H 1 0.66 0.013 A 55 CYS H H 1 9.07 0.013 A 55 CYS HA H 1 4.32 0.013 A 55 CYS HBx H 1 2.12 0.013 A 55 CYS HBy H 1 2.37 0.013 A 56 PRO HA H 1 4.20 0.013 A 56 PRO HBy H 1 2.43 0.013 A 56 PRO HBx H 1 1.75 0.013 A 56 PRO HDx H 1 3.01 0.013 A 56 PRO HDy H 1 3.77 0.013 A 56 PRO HGx H 1 1.94 0.013 A 56 PRO HGy H 1 1.94 0.013 A 57 ASN H H 1 8.37 0.013 A 57 ASN HA H 1 4.57 0.013 A 57 ASN HBx H 1 2.85 0.013 A 57 ASN HBy H 1 3.06 0.013 A 57 ASN HD2y H 1 8.11 0.013 A 57 ASN HD2x H 1 6.99 0.013 A 58 CYS H H 1 8.30 0.013 A 58 CYS HA H 1 4.03 0.013 A 58 CYS HBx H 1 2.77 0.013 A 58 CYS HBy H 1 2.82 0.013 A 59 THR H H 1 7.60 0.013 A 59 THR HA H 1 3.86 0.013 A 59 THR HB H 1 4.04 0.013 A 59 THR HG2% H 1 1.10 0.013 A 60 ILE H H 1 7.48 0.013 A 60 ILE HA H 1 4.21 0.013 A 60 ILE HB H 1 1.95 0.013 A 60 ILE HD1% H 1 0.86 0.013 A 60 ILE HG1x H 1 1.17 0.013 A 60 ILE HG1y H 1 1.40 0.013 A 60 ILE HG2% H 1 0.90 0.013 A 61 LEU H H 1 7.57 0.013 A 61 LEU HA H 1 4.14 0.013 A 61 LEU HBx H 1 1.53 0.013 A 61 LEU HBy H 1 1.61 0.013 A 61 LEU HDx% H 1 0.84 0.013 A 61 LEU HDy% H 1 0.89 0.013 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.90 0.013 A 1 GLY HAy H 1 3.90 0.013 A 1 GLY CA C 13 43.5 0.01 A 2 SER HA H 1 4.46 0.013 A 2 SER HBx H 1 3.78 0.013 A 2 SER HBy H 1 3.80 0.013 A 2 SER C C 13 174.0 0.01 A 2 SER CA C 13 58.3 0.01 A 2 SER CB C 13 64.1 0.01 A 3 MET H H 1 8.32 0.013 A 3 MET HA H 1 4.10 0.013 A 3 MET HBx H 1 1.17 0.013 A 3 MET HBy H 1 1.40 0.013 A 3 MET HE% H 1 0.68 0.013 A 3 MET HGx H 1 1.45 0.013 A 3 MET HGy H 1 1.48 0.013 A 3 MET C C 13 175.4 0.01 A 3 MET CA C 13 55.2 0.01 A 3 MET CB C 13 33.0 0.01 A 3 MET CE C 13 15.8 0.01 A 3 MET CG C 13 31.3 0.01 A 3 MET N N 15 122.4 0.02 A 4 ASP H H 1 8.41 0.013 A 4 ASP HA H 1 4.95 0.013 A 4 ASP HBx H 1 2.66 0.013 A 4 ASP HBy H 1 2.89 0.013 A 4 ASP CA C 13 51.3 0.01 A 4 ASP CB C 13 42.9 0.01 A 4 ASP N N 15 125.9 0.02 A 5 PRO HA H 1 4.41 0.013 A 5 PRO HBy H 1 2.33 0.013 A 5 PRO HBx H 1 2.03 0.013 A 5 PRO HDx H 1 3.93 0.013 A 5 PRO HDy H 1 3.96 0.013 A 5 PRO HGx H 1 1.93 0.013 A 5 PRO HGy H 1 2.08 0.013 A 5 PRO C C 13 176.3 0.01 A 5 PRO CA C 13 64.5 0.01 A 5 PRO CB C 13 32.3 0.01 A 5 PRO CD C 13 51.3 0.01 A 5 PRO CG C 13 26.7 0.01 A 6 ASN H H 1 8.65 0.013 A 6 ASN HA H 1 4.86 0.013 A 6 ASN HBx H 1 2.65 0.013 A 6 ASN HBy H 1 2.81 0.013 A 6 ASN HD2y H 1 7.89 0.013 A 6 ASN HD2x H 1 6.97 0.013 A 6 ASN C C 13 174.8 0.01 A 6 ASN CA C 13 53.0 0.01 A 6 ASN CB C 13 40.1 0.01 A 6 ASN CG C 13 177.4 0.01 A 6 ASN N N 15 115.8 0.02 A 6 ASN ND2 N 15 114.5 0.02 A 7 ALA H H 1 7.14 0.013 A 7 ALA HA H 1 4.05 0.013 A 7 ALA HB% H 1 1.07 0.013 A 7 ALA C C 13 175.1 0.01 A 7 ALA CA C 13 51.9 0.01 A 7 ALA CB C 13 19.5 0.01 A 7 ALA N N 15 123.5 0.02 A 8 LEU H H 1 7.77 0.013 A 8 LEU HA H 1 3.87 0.013 A 8 LEU HBx H 1 0.60 0.013 A 8 LEU HBy H 1 1.54 0.013 A 8 LEU HDx% H 1 0.62 0.013 A 8 LEU HDy% H 1 0.81 0.013 A 8 LEU HG H 1 1.55 0.013 A 8 LEU C C 13 175.4 0.01 A 8 LEU CA C 13 53.6 0.01 A 8 LEU CB C 13 42.1 0.01 A 8 LEU CD1 C 13 21.4 0.01 A 8 LEU CD2 C 13 24.8 0.01 A 8 LEU CG C 13 26.3 0.01 A 8 LEU N N 15 116.8 0.02 A 9 TYR H H 1 7.80 0.013 A 9 TYR HA H 1 4.83 0.013 A 9 TYR HBx H 1 2.05 0.013 A 9 TYR HBy H 1 2.97 0.013 A 9 TYR HDx H 1 7.15 0.013 A 9 TYR HDy H 1 7.15 0.013 A 9 TYR HEx H 1 6.94 0.013 A 9 TYR HEy H 1 6.94 0.013 A 9 TYR C C 13 175.5 0.01 A 9 TYR CA C 13 57.5 0.01 A 9 TYR CB C 13 43.7 0.01 A 9 TYR CDx C 13 133.3 0.01 A 9 TYR CDy C 13 133.3 0.01 A 9 TYR CEx C 13 118.3 0.01 A 9 TYR CEy C 13 118.3 0.01 A 9 TYR N N 15 120.0 0.02 A 10 CYS H H 1 7.76 0.013 A 10 CYS HA H 1 3.93 0.013 A 10 CYS HBx H 1 2.37 0.013 A 10 CYS HBy H 1 4.77 0.013 A 10 CYS C C 13 176.5 0.01 A 10 CYS CA C 13 59.0 0.01 A 10 CYS CB C 13 30.1 0.01 A 10 CYS N N 15 114.9 0.02 A 11 ILE H H 1 10.09 0.013 A 11 ILE HA H 1 4.44 0.013 A 11 ILE HB H 1 2.22 0.013 A 11 ILE HD1% H 1 1.04 0.013 A 11 ILE HG1x H 1 1.57 0.013 A 11 ILE HG1y H 1 1.79 0.013 A 11 ILE HG2% H 1 1.27 0.013 A 11 ILE C C 13 177.7 0.01 A 11 ILE CA C 13 64.2 0.01 A 11 ILE CB C 13 38.8 0.01 A 11 ILE CD1 C 13 13.9 0.01 A 11 ILE CG1 C 13 28.0 0.01 A 11 ILE CG2 C 13 18.9 0.01 A 11 ILE N N 15 124.8 0.02 A 12 CYS H H 1 7.59 0.013 A 12 CYS HA H 1 4.63 0.013 A 12 CYS HBx H 1 3.14 0.013 A 12 CYS HBy H 1 3.28 0.013 A 12 CYS C C 13 175.6 0.01 A 12 CYS CA C 13 58.4 0.01 A 12 CYS CB C 13 30.6 0.01 A 12 CYS N N 15 118.5 0.02 A 13 ARG H H 1 7.69 0.013 A 13 ARG HA H 1 3.89 0.013 A 13 ARG HBx H 1 1.69 0.013 A 13 ARG HBy H 1 2.32 0.013 A 13 ARG HDx H 1 3.14 0.013 A 13 ARG HDy H 1 3.22 0.013 A 13 ARG HE H 1 6.91 0.013 A 13 ARG HGx H 1 1.55 0.013 A 13 ARG HGy H 1 1.73 0.013 A 13 ARG C C 13 173.9 0.01 A 13 ARG CA C 13 55.2 0.01 A 13 ARG CB C 13 25.4 0.01 A 13 ARG CD C 13 42.2 0.01 A 13 ARG CG C 13 24.7 0.01 A 13 ARG CZ C 13 159.8 0.01 A 13 ARG N N 15 119.7 0.02 A 13 ARG NE N 15 82.7 0.02 A 14 GLN H H 1 8.10 0.013 A 14 GLN HA H 1 5.05 0.013 A 14 GLN HBx H 1 2.15 0.013 A 14 GLN HBy H 1 2.25 0.013 A 14 GLN HE2y H 1 7.33 0.013 A 14 GLN HE2x H 1 6.84 0.013 A 14 GLN HGx H 1 2.49 0.013 A 14 GLN HGy H 1 2.49 0.013 A 14 GLN CA C 13 53.4 0.01 A 14 GLN CB C 13 31.3 0.01 A 14 GLN CD C 13 180.9 0.01 A 14 GLN CG C 13 33.6 0.01 A 14 GLN N N 15 117.5 0.02 A 14 GLN NE2 N 15 112.4 0.02 A 15 PRO HA H 1 5.24 0.013 A 15 PRO HBy H 1 2.50 0.013 A 15 PRO HBx H 1 1.89 0.013 A 15 PRO HDx H 1 3.56 0.013 A 15 PRO HDy H 1 3.68 0.013 A 15 PRO HGx H 1 1.84 0.013 A 15 PRO HGy H 1 1.97 0.013 A 15 PRO C C 13 177.9 0.01 A 15 PRO CA C 13 61.9 0.01 A 15 PRO CB C 13 32.7 0.01 A 15 PRO CD C 13 51.0 0.01 A 15 PRO CG C 13 27.6 0.01 A 16 HIS H H 1 9.79 0.013 A 16 HIS HA H 1 4.45 0.013 A 16 HIS HBx H 1 2.95 0.013 A 16 HIS HBy H 1 3.20 0.013 A 16 HIS HD2 H 1 7.22 0.01 A 16 HIS HE1 H 1 7.79 0.01 A 16 HIS C C 13 176.0 0.01 A 16 HIS CA C 13 59.8 0.01 A 16 HIS CB C 13 31.3 0.01 A 16 HIS CD2 C 13 119.8 0.01 A 16 HIS CE1 C 13 138.9 0.01 A 16 HIS N N 15 122.5 0.02 A 17 ASN H H 1 8.42 0.013 A 17 ASN HA H 1 4.16 0.013 A 17 ASN HBx H 1 2.41 0.013 A 17 ASN HBy H 1 3.05 0.013 A 17 ASN HD2y H 1 7.28 0.013 A 17 ASN HD2x H 1 6.91 0.013 A 17 ASN C C 13 174.1 0.01 A 17 ASN CA C 13 53.8 0.01 A 17 ASN CB C 13 37.5 0.01 A 17 ASN CG C 13 177.9 0.01 A 17 ASN N N 15 115.3 0.02 A 17 ASN ND2 N 15 111.3 0.02 A 18 ASN H H 1 9.05 0.013 A 18 ASN HA H 1 4.21 0.013 A 18 ASN HBx H 1 2.91 0.013 A 18 ASN HBy H 1 3.05 0.013 A 18 ASN HD2y H 1 7.57 0.013 A 18 ASN HD2x H 1 6.89 0.013 A 18 ASN C C 13 174.7 0.01 A 18 ASN CA C 13 54.8 0.01 A 18 ASN CB C 13 37.1 0.01 A 18 ASN CG C 13 178.8 0.01 A 18 ASN N N 15 111.7 0.02 A 18 ASN ND2 N 15 113.5 0.02 A 19 ARG H H 1 7.71 0.013 A 19 ARG HA H 1 4.42 0.013 A 19 ARG HBx H 1 2.00 0.013 A 19 ARG HBy H 1 2.27 0.013 A 19 ARG HDx H 1 2.94 0.013 A 19 ARG HDy H 1 3.26 0.013 A 19 ARG HE H 1 7.28 0.013 A 19 ARG HGx H 1 1.76 0.013 A 19 ARG HGy H 1 1.87 0.013 A 19 ARG C C 13 175.9 0.01 A 19 ARG CA C 13 55.7 0.01 A 19 ARG CB C 13 32.9 0.01 A 19 ARG CD C 13 44.4 0.01 A 19 ARG CG C 13 26.5 0.01 A 19 ARG CZ C 13 159.6 0.01 A 19 ARG N N 15 120.0 0.02 A 19 ARG NE N 15 82.3 0.02 A 20 PHE H H 1 8.68 0.013 A 20 PHE HA H 1 4.50 0.013 A 20 PHE HBx H 1 2.92 0.013 A 20 PHE HBy H 1 3.40 0.013 A 20 PHE HDx H 1 7.25 0.013 A 20 PHE HDy H 1 7.25 0.013 A 20 PHE HEx H 1 7.15 0.013 A 20 PHE HEy H 1 7.15 0.013 A 20 PHE HZ H 1 7.05 0.013 A 20 PHE C C 13 175.5 0.01 A 20 PHE CA C 13 59.8 0.01 A 20 PHE CB C 13 38.7 0.01 A 20 PHE CDx C 13 131.4 0.01 A 20 PHE CDy C 13 131.4 0.01 A 20 PHE CEx C 13 129.6 0.01 A 20 PHE CEy C 13 129.6 0.01 A 20 PHE CZ C 13 129.6 0.01 A 20 PHE N N 15 120.2 0.02 A 21 MET H H 1 7.87 0.013 A 21 MET HA H 1 5.30 0.013 A 21 MET HBx H 1 1.59 0.013 A 21 MET HBy H 1 1.81 0.013 A 21 MET HE% H 1 0.89 0.013 A 21 MET HGx H 1 2.25 0.013 A 21 MET HGy H 1 2.42 0.013 A 21 MET C C 13 173.1 0.01 A 21 MET CA C 13 52.7 0.01 A 21 MET CB C 13 36.2 0.01 A 21 MET CE C 13 14.8 0.01 A 21 MET CG C 13 31.6 0.01 A 21 MET N N 15 129.1 0.02 A 22 ILE H H 1 9.18 0.013 A 22 ILE HA H 1 4.38 0.013 A 22 ILE HB H 1 1.15 0.013 A 22 ILE HD1% H 1 0.52 0.013 A 22 ILE HG1x H 1 0.62 0.013 A 22 ILE HG1y H 1 1.25 0.013 A 22 ILE HG2% H 1 0.28 0.013 A 22 ILE C C 13 171.3 0.01 A 22 ILE CA C 13 59.1 0.01 A 22 ILE CB C 13 43.1 0.01 A 22 ILE CD1 C 13 15.1 0.01 A 22 ILE CG1 C 13 28.3 0.01 A 22 ILE CG2 C 13 15.0 0.01 A 22 ILE N N 15 119.1 0.02 A 23 CYS H H 1 8.00 0.013 A 23 CYS HA H 1 4.38 0.013 A 23 CYS HBx H 1 -0.03 0.013 A 23 CYS HBy H 1 1.58 0.013 A 23 CYS HG H 1 0.11 0.013 A 23 CYS C C 13 174.4 0.01 A 23 CYS CA C 13 56.6 0.01 A 23 CYS CB C 13 27.1 0.01 A 23 CYS N N 15 128.4 0.02 A 24 CYS H H 1 8.77 0.013 A 24 CYS HA H 1 4.54 0.013 A 24 CYS HBx H 1 2.81 0.013 A 24 CYS HBy H 1 3.68 0.013 A 24 CYS C C 13 177.3 0.01 A 24 CYS CA C 13 59.4 0.01 A 24 CYS CB C 13 32.9 0.01 A 24 CYS N N 15 129.7 0.02 A 25 ASP H H 1 9.43 0.013 A 25 ASP HA H 1 4.51 0.013 A 25 ASP HBx H 1 2.51 0.013 A 25 ASP HBy H 1 2.59 0.013 A 25 ASP C C 13 175.8 0.01 A 25 ASP CA C 13 57.4 0.01 A 25 ASP CB C 13 42.6 0.01 A 25 ASP N N 15 130.0 0.02 A 26 ARG H H 1 9.40 0.013 A 26 ARG HA H 1 4.52 0.013 A 26 ARG HBx H 1 2.07 0.013 A 26 ARG HBy H 1 2.16 0.013 A 26 ARG HDx H 1 3.13 0.013 A 26 ARG HDy H 1 3.22 0.013 A 26 ARG HE H 1 7.32 0.013 A 26 ARG HGx H 1 1.62 0.013 A 26 ARG HGy H 1 1.62 0.013 A 26 ARG C C 13 177.0 0.01 A 26 ARG CA C 13 57.9 0.01 A 26 ARG CB C 13 30.9 0.01 A 26 ARG CD C 13 42.9 0.01 A 26 ARG CG C 13 27.5 0.01 A 26 ARG CZ C 13 159.4 0.01 A 26 ARG N N 15 120.8 0.02 A 26 ARG NE N 15 84.9 0.02 A 27 CYS H H 1 8.56 0.013 A 27 CYS HA H 1 4.77 0.013 A 27 CYS HBx H 1 2.67 0.013 A 27 CYS HBy H 1 3.23 0.013 A 27 CYS C C 13 176.2 0.01 A 27 CYS CA C 13 59.5 0.01 A 27 CYS CB C 13 31.9 0.01 A 27 CYS N N 15 119.0 0.02 A 28 GLU H H 1 7.64 0.013 A 28 GLU HA H 1 4.17 0.013 A 28 GLU HBx H 1 2.15 0.013 A 28 GLU HBy H 1 2.18 0.013 A 28 GLU HGx H 1 1.97 0.013 A 28 GLU HGy H 1 2.04 0.013 A 28 GLU C C 13 174.7 0.01 A 28 GLU CA C 13 58.4 0.01 A 28 GLU CB C 13 27.1 0.01 A 28 GLU CG C 13 37.3 0.01 A 28 GLU N N 15 116.7 0.02 A 29 GLU H H 1 8.21 0.013 A 29 GLU HA H 1 4.62 0.013 A 29 GLU HBx H 1 2.08 0.013 A 29 GLU HBy H 1 2.21 0.013 A 29 GLU HGx H 1 2.07 0.013 A 29 GLU HGy H 1 2.07 0.013 A 29 GLU C C 13 174.7 0.01 A 29 GLU CA C 13 55.7 0.01 A 29 GLU CB C 13 31.0 0.01 A 29 GLU CG C 13 36.3 0.01 A 29 GLU N N 15 120.6 0.02 A 30 TRP H H 1 8.30 0.013 A 30 TRP HA H 1 4.85 0.013 A 30 TRP HBx H 1 2.38 0.013 A 30 TRP HBy H 1 2.38 0.013 A 30 TRP HD1 H 1 7.19 0.013 A 30 TRP HE1 H 1 9.85 0.013 A 30 TRP HE3 H 1 6.87 0.013 A 30 TRP HH2 H 1 7.07 0.013 A 30 TRP HZ2 H 1 7.40 0.013 A 30 TRP HZ3 H 1 6.66 0.013 A 30 TRP C C 13 175.6 0.01 A 30 TRP CA C 13 56.8 0.01 A 30 TRP CB C 13 31.3 0.01 A 30 TRP CD1 C 13 127.2 0.01 A 30 TRP CE3 C 13 120.2 0.01 A 30 TRP CH2 C 13 124.7 0.01 A 30 TRP CZ2 C 13 114.6 0.01 A 30 TRP CZ3 C 13 121.7 0.01 A 30 TRP N N 15 121.0 0.02 A 30 TRP NE1 N 15 129.6 0.02 A 31 PHE H H 1 9.21 0.013 A 31 PHE HA H 1 4.57 0.013 A 31 PHE HBx H 1 2.54 0.013 A 31 PHE HBy H 1 3.29 0.013 A 31 PHE HDx H 1 7.52 0.013 A 31 PHE HDy H 1 7.52 0.013 A 31 PHE HEx H 1 7.22 0.013 A 31 PHE HEy H 1 7.22 0.013 A 31 PHE HZ H 1 7.65 0.013 A 31 PHE C C 13 176.8 0.01 A 31 PHE CA C 13 56.6 0.01 A 31 PHE CB C 13 42.5 0.01 A 31 PHE CDx C 13 132.5 0.01 A 31 PHE CDy C 13 132.5 0.01 A 31 PHE CEx C 13 131.2 0.01 A 31 PHE CEy C 13 131.2 0.01 A 31 PHE CZ C 13 131.2 0.01 A 31 PHE N N 15 117.2 0.02 A 32 HIS H H 1 9.74 0.013 A 32 HIS HA H 1 5.17 0.013 A 32 HIS HBx H 1 3.44 0.013 A 32 HIS HBy H 1 4.19 0.013 A 32 HIS C C 13 178.4 0.01 A 32 HIS CA C 13 57.3 0.01 A 32 HIS CB C 13 29.8 0.01 A 32 HIS CD2 C 13 118.3 0.01 A 32 HIS CE1 C 13 138.6 0.01 A 32 HIS N N 15 122.6 0.02 A 33 GLY H H 1 9.09 0.013 A 33 GLY HAx H 1 3.65 0.013 A 33 GLY HAy H 1 4.24 0.013 A 33 GLY C C 13 176.6 0.01 A 33 GLY CA C 13 48.5 0.01 A 33 GLY N N 15 114.9 0.02 A 34 ASP H H 1 9.11 0.013 A 34 ASP HA H 1 4.39 0.013 A 34 ASP HBx H 1 2.70 0.013 A 34 ASP HBy H 1 2.84 0.013 A 34 ASP C C 13 179.2 0.01 A 34 ASP CA C 13 56.7 0.01 A 34 ASP CB C 13 40.0 0.01 A 34 ASP N N 15 118.2 0.02 A 35 CYS H H 1 7.66 0.013 A 35 CYS HA H 1 4.23 0.013 A 35 CYS HBx H 1 3.14 0.013 A 35 CYS HBy H 1 3.46 0.013 A 35 CYS C C 13 177.3 0.01 A 35 CYS CA C 13 63.0 0.01 A 35 CYS CB C 13 30.6 0.01 A 35 CYS N N 15 119.5 0.02 A 36 VAL H H 1 7.36 0.013 A 36 VAL HA H 1 4.62 0.013 A 36 VAL HB H 1 2.55 0.013 A 36 VAL HGx% H 1 0.82 0.013 A 36 VAL HGy% H 1 0.86 0.013 A 36 VAL C C 13 175.9 0.01 A 36 VAL CA C 13 60.5 0.01 A 36 VAL CB C 13 32.0 0.01 A 36 VAL CG1 C 13 17.8 0.01 A 36 VAL CG2 C 13 21.7 0.01 A 36 VAL N N 15 107.0 0.02 A 37 GLY H H 1 7.67 0.013 A 37 GLY HAx H 1 3.90 0.013 A 37 GLY HAy H 1 4.09 0.013 A 37 GLY C C 13 174.4 0.01 A 37 GLY CA C 13 46.8 0.01 A 37 GLY N N 15 110.3 0.02 A 38 ILE H H 1 8.51 0.013 A 38 ILE HA H 1 4.33 0.013 A 38 ILE HB H 1 1.68 0.013 A 38 ILE HD1% H 1 0.73 0.013 A 38 ILE HG1x H 1 1.21 0.013 A 38 ILE HG1y H 1 1.21 0.013 A 38 ILE HG2% H 1 0.80 0.013 A 38 ILE C C 13 174.0 0.01 A 38 ILE CA C 13 59.0 0.01 A 38 ILE CB C 13 38.8 0.01 A 38 ILE CD1 C 13 11.5 0.01 A 38 ILE CG1 C 13 26.7 0.01 A 38 ILE CG2 C 13 16.7 0.01 A 38 ILE N N 15 122.2 0.02 A 39 SER H H 1 8.00 0.013 A 39 SER HA H 1 4.45 0.013 A 39 SER HBx H 1 3.95 0.013 A 39 SER HBy H 1 4.22 0.013 A 39 SER C C 13 174.2 0.01 A 39 SER CA C 13 56.8 0.01 A 39 SER CB C 13 65.2 0.01 A 39 SER N N 15 121.5 0.02 A 40 GLU H H 1 8.67 0.013 A 40 GLU HA H 1 2.57 0.013 A 40 GLU HBx H 1 1.53 0.013 A 40 GLU HBy H 1 1.66 0.013 A 40 GLU HGx H 1 1.82 0.013 A 40 GLU HGy H 1 1.82 0.013 A 40 GLU C C 13 178.0 0.01 A 40 GLU CA C 13 59.2 0.01 A 40 GLU CB C 13 29.0 0.01 A 40 GLU CG C 13 36.1 0.01 A 40 GLU N N 15 122.6 0.02 A 41 ALA H H 1 8.12 0.013 A 41 ALA HA H 1 3.93 0.013 A 41 ALA HB% H 1 1.31 0.013 A 41 ALA C C 13 180.5 0.01 A 41 ALA CA C 13 54.9 0.01 A 41 ALA CB C 13 18.1 0.01 A 41 ALA N N 15 119.7 0.02 A 42 ARG H H 1 7.84 0.013 A 42 ARG HA H 1 4.09 0.013 A 42 ARG HBx H 1 1.86 0.013 A 42 ARG HBy H 1 2.01 0.013 A 42 ARG HDx H 1 3.23 0.013 A 42 ARG HDy H 1 3.31 0.013 A 42 ARG HGx H 1 1.65 0.013 A 42 ARG HGy H 1 1.73 0.013 A 42 ARG C C 13 178.6 0.01 A 42 ARG CA C 13 58.2 0.01 A 42 ARG CB C 13 29.5 0.01 A 42 ARG CD C 13 43.1 0.01 A 42 ARG CG C 13 27.4 0.01 A 42 ARG N N 15 120.1 0.02 A 43 GLY H H 1 8.87 0.013 A 43 GLY HAx H 1 3.72 0.013 A 43 GLY HAy H 1 3.78 0.013 A 43 GLY C C 13 175.9 0.01 A 43 GLY CA C 13 47.2 0.01 A 43 GLY N N 15 108.6 0.02 A 44 ARG H H 1 8.24 0.013 A 44 ARG HA H 1 4.23 0.013 A 44 ARG HBx H 1 1.86 0.013 A 44 ARG HBy H 1 1.89 0.013 A 44 ARG HDx H 1 3.15 0.013 A 44 ARG HDy H 1 3.23 0.013 A 44 ARG HE H 1 7.45 0.013 A 44 ARG HGx H 1 1.74 0.013 A 44 ARG HGy H 1 1.74 0.013 A 44 ARG C C 13 178.8 0.01 A 44 ARG CA C 13 58.5 0.01 A 44 ARG CB C 13 29.8 0.01 A 44 ARG CD C 13 43.2 0.01 A 44 ARG CG C 13 27.5 0.01 A 44 ARG CZ C 13 159.6 0.01 A 44 ARG N N 15 120.5 0.02 A 44 ARG NE N 15 85.1 0.02 A 45 LEU H H 1 7.59 0.013 A 45 LEU HA H 1 4.13 0.013 A 45 LEU HBx H 1 1.77 0.013 A 45 LEU HBy H 1 1.80 0.013 A 45 LEU HDx% H 1 0.88 0.013 A 45 LEU HDy% H 1 0.92 0.013 A 45 LEU HG H 1 1.69 0.013 A 45 LEU C C 13 178.5 0.01 A 45 LEU CA C 13 57.7 0.01 A 45 LEU CB C 13 41.9 0.01 A 45 LEU CD1 C 13 24.3 0.01 A 45 LEU CD2 C 13 24.6 0.01 A 45 LEU CG C 13 26.8 0.01 A 45 LEU N N 15 122.1 0.02 A 46 LEU H H 1 8.16 0.013 A 46 LEU HA H 1 4.10 0.013 A 46 LEU HBx H 1 1.66 0.013 A 46 LEU HBy H 1 1.96 0.013 A 46 LEU HDx% H 1 0.86 0.013 A 46 LEU HDy% H 1 0.93 0.013 A 46 LEU HG H 1 1.88 0.013 A 46 LEU C C 13 179.3 0.01 A 46 LEU CA C 13 58.3 0.01 A 46 LEU CB C 13 41.5 0.01 A 46 LEU CD1 C 13 23.3 0.01 A 46 LEU CD2 C 13 25.9 0.01 A 46 LEU CG C 13 27.0 0.01 A 46 LEU N N 15 120.1 0.02 A 47 GLU H H 1 7.77 0.013 A 47 GLU HA H 1 4.18 0.013 A 47 GLU HBx H 1 2.18 0.013 A 47 GLU HBy H 1 2.24 0.013 A 47 GLU HGx H 1 2.26 0.013 A 47 GLU HGy H 1 2.46 0.013 A 47 GLU C C 13 179.7 0.01 A 47 GLU CA C 13 58.8 0.01 A 47 GLU CB C 13 29.9 0.01 A 47 GLU CG C 13 36.2 0.01 A 47 GLU N N 15 117.8 0.02 A 48 ARG H H 1 8.25 0.013 A 48 ARG HA H 1 4.16 0.013 A 48 ARG HBx H 1 1.97 0.013 A 48 ARG HBy H 1 1.97 0.013 A 48 ARG HDx H 1 3.21 0.013 A 48 ARG HDy H 1 3.21 0.013 A 48 ARG HE H 1 7.24 0.013 A 48 ARG HGx H 1 1.73 0.013 A 48 ARG HGy H 1 1.79 0.013 A 48 ARG C C 13 177.8 0.01 A 48 ARG CA C 13 58.4 0.01 A 48 ARG CB C 13 30.2 0.01 A 48 ARG CD C 13 43.6 0.01 A 48 ARG CG C 13 27.1 0.01 A 48 ARG N N 15 120.5 0.02 A 48 ARG NE N 15 84.8 0.02 A 49 ASN H H 1 8.27 0.013 A 49 ASN HA H 1 4.74 0.013 A 49 ASN HBx H 1 2.90 0.013 A 49 ASN HBy H 1 2.98 0.013 A 49 ASN HD2y H 1 7.61 0.013 A 49 ASN HD2x H 1 6.75 0.013 A 49 ASN C C 13 176.0 0.01 A 49 ASN CA C 13 53.1 0.01 A 49 ASN CB C 13 38.8 0.01 A 49 ASN CG C 13 176.7 0.01 A 49 ASN N N 15 116.1 0.02 A 49 ASN ND2 N 15 110.9 0.02 A 50 GLY H H 1 8.04 0.013 A 50 GLY HAx H 1 3.96 0.013 A 50 GLY HAy H 1 3.96 0.013 A 50 GLY C C 13 174.7 0.01 A 50 GLY CA C 13 46.6 0.01 A 50 GLY N N 15 110.3 0.02 A 51 GLU H H 1 8.18 0.013 A 51 GLU HA H 1 4.35 0.013 A 51 GLU HBx H 1 1.93 0.013 A 51 GLU HBy H 1 2.04 0.013 A 51 GLU HGx H 1 2.21 0.013 A 51 GLU HGy H 1 2.21 0.013 A 51 GLU C C 13 175.3 0.01 A 51 GLU CA C 13 55.5 0.01 A 51 GLU CB C 13 31.9 0.01 A 51 GLU CG C 13 36.7 0.01 A 51 GLU N N 15 120.3 0.02 A 52 ASP H H 1 8.35 0.013 A 52 ASP HA H 1 4.65 0.013 A 52 ASP HBx H 1 2.45 0.013 A 52 ASP HBy H 1 2.45 0.013 A 52 ASP C C 13 175.8 0.01 A 52 ASP CA C 13 54.1 0.01 A 52 ASP CB C 13 41.8 0.01 A 52 ASP N N 15 121.9 0.02 A 53 TYR H H 1 9.31 0.013 A 53 TYR HA H 1 4.48 0.013 A 53 TYR HBx H 1 2.85 0.013 A 53 TYR HBy H 1 2.85 0.013 A 53 TYR HDx H 1 6.75 0.013 A 53 TYR HDy H 1 6.75 0.013 A 53 TYR HEx H 1 6.29 0.013 A 53 TYR HEy H 1 6.29 0.013 A 53 TYR C C 13 172.5 0.01 A 53 TYR CA C 13 58.7 0.01 A 53 TYR CB C 13 39.1 0.01 A 53 TYR CDx C 13 132.4 0.01 A 53 TYR CDy C 13 132.4 0.01 A 53 TYR CEx C 13 117.2 0.01 A 53 TYR CEy C 13 117.2 0.01 A 53 TYR N N 15 122.9 0.02 A 54 ILE H H 1 6.80 0.013 A 54 ILE HA H 1 4.63 0.013 A 54 ILE HB H 1 1.47 0.013 A 54 ILE HD1% H 1 0.71 0.013 A 54 ILE HG1x H 1 0.97 0.013 A 54 ILE HG1y H 1 1.27 0.013 A 54 ILE HG2% H 1 0.66 0.013 A 54 ILE C C 13 174.9 0.01 A 54 ILE CA C 13 58.4 0.01 A 54 ILE CB C 13 38.3 0.01 A 54 ILE CD1 C 13 12.2 0.01 A 54 ILE CG1 C 13 26.9 0.01 A 54 ILE CG2 C 13 18.7 0.01 A 54 ILE N N 15 127.5 0.02 A 55 CYS H H 1 9.05 0.013 A 55 CYS HA H 1 4.32 0.013 A 55 CYS HBx H 1 2.10 0.013 A 55 CYS HBy H 1 2.34 0.013 A 55 CYS CA C 13 58.1 0.01 A 55 CYS CB C 13 30.7 0.01 A 55 CYS N N 15 131.6 0.02 A 56 PRO HA H 1 4.19 0.013 A 56 PRO HBy H 1 2.42 0.013 A 56 PRO HBx H 1 1.74 0.013 A 56 PRO HDx H 1 2.99 0.013 A 56 PRO HDy H 1 3.77 0.013 A 56 PRO HGx H 1 1.93 0.013 A 56 PRO HGy H 1 1.93 0.013 A 56 PRO C C 13 178.8 0.01 A 56 PRO CA C 13 65.2 0.01 A 56 PRO CB C 13 32.3 0.01 A 56 PRO CD C 13 50.1 0.01 A 56 PRO CG C 13 28.0 0.01 A 57 ASN H H 1 8.37 0.013 A 57 ASN HA H 1 4.56 0.013 A 57 ASN HBx H 1 2.85 0.013 A 57 ASN HBy H 1 3.06 0.013 A 57 ASN HD2y H 1 8.11 0.013 A 57 ASN HD2x H 1 6.99 0.013 A 57 ASN C C 13 177.2 0.01 A 57 ASN CA C 13 55.3 0.01 A 57 ASN CB C 13 38.8 0.01 A 57 ASN CG C 13 176.5 0.01 A 57 ASN N N 15 116.2 0.02 A 57 ASN ND2 N 15 113.8 0.02 A 58 CYS H H 1 8.31 0.013 A 58 CYS HA H 1 4.02 0.013 A 58 CYS HBx H 1 2.77 0.013 A 58 CYS HBy H 1 2.82 0.013 A 58 CYS C C 13 176.5 0.01 A 58 CYS CA C 13 62.7 0.01 A 58 CYS CB C 13 30.5 0.01 A 58 CYS N N 15 122.4 0.02 A 59 THR H H 1 7.60 0.013 A 59 THR HA H 1 3.85 0.013 A 59 THR HB H 1 4.04 0.013 A 59 THR HG2% H 1 1.09 0.013 A 59 THR C C 13 174.1 0.01 A 59 THR CA C 13 64.6 0.01 A 59 THR CB C 13 69.5 0.01 A 59 THR CG2 C 13 21.0 0.01 A 59 THR N N 15 115.6 0.02 A 60 ILE H H 1 7.47 0.013 A 60 ILE HA H 1 4.21 0.013 A 60 ILE HB H 1 1.95 0.013 A 60 ILE HD1% H 1 0.85 0.013 A 60 ILE HG1x H 1 1.18 0.013 A 60 ILE HG1y H 1 1.40 0.013 A 60 ILE HG2% H 1 0.90 0.013 A 60 ILE C C 13 175.2 0.01 A 60 ILE CA C 13 61.2 0.01 A 60 ILE CB C 13 38.5 0.01 A 60 ILE CD1 C 13 13.2 0.01 A 60 ILE CG1 C 13 26.8 0.01 A 60 ILE CG2 C 13 17.7 0.01 A 60 ILE N N 15 120.7 0.02 A 61 LEU H H 1 7.56 0.013 A 61 LEU HA H 1 4.14 0.013 A 61 LEU HBx H 1 1.52 0.013 A 61 LEU HBy H 1 1.60 0.013 A 61 LEU HDx% H 1 0.83 0.013 A 61 LEU HDy% H 1 0.89 0.013 A 61 LEU HG H 1 1.62 0.013 A 61 LEU CA C 13 56.9 0.01 A 61 LEU CB C 13 43.2 0.01 A 61 LEU CD1 C 13 23.3 0.01 A 61 LEU CD2 C 13 25.4 0.01 A 61 LEU CG C 13 26.9 0.01 A 61 LEU N N 15 131.2 0.02 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 ILE H A 13 ARG H 1.0 . 5.28 2 2 A 11 ILE H A 31 PHE HD% 1.0 . 3.29 3 3 A 11 ILE H A 31 PHE HE% 1.0 . 4.18 4 4 A 9 TYR HE% A 16 HIS H 1.0 . 4.37 5 5 A 16 HIS H A 17 ASN H 1.0 . 3.92 6 6 A 16 HIS H A 7 ALA H 1.0 . 5.06 7 7 A 31 PHE H A 32 HIS H 1.0 . 4.71 8 8 A 32 HIS H A 35 CYS H 1.0 . 4.90 9 9 A 25 ASP H A 53 TYR H 1.0 . 4.68 10 10 A 25 ASP H A 55 CYS H 1.0 . 5.48 11 11 A 55 CYS H A 26 ARG H 1.0 . 5.50 12 12 A 25 ASP H A 24 CYS H 1.0 . 4.59 13 13 A 26 ARG H A 27 CYS H 1.0 . 3.23 14 14 A 26 ARG H A 28 GLU H 1.0 . 3.97 15 15 A 31 PHE H A 24 CYS H 1.0 . 4.98 16 16 A 31 PHE H A 30 TRP H 1.0 . 5.25 17 17 A 31 PHE HD% A 31 PHE H 1.0 . 3.32 18 18 A 31 PHE HE% A 31 PHE H 1.0 . 5.14 19 19 A 53 TYR H A 52 ASP H 1.0 . 4.46 20 20 A 22 ILE H A 23 CYS H 1.0 . 4.70 21 21 A 22 ILE H A 20 PHE HE% 1.0 . 5.16 22 22 A 22 ILE H A 30 TRP HE3 1.0 . 3.69 23 23 A 53 TYR H A 54 ILE H 1.0 . 4.93 24 24 A 22 ILE H A 21 MET H 1.0 . 5.12 25 25 A 22 ILE H A 30 TRP HZ3 1.0 . 4.76 26 26 A 32 HIS H A 33 GLY H 1.0 . 5.20 27 27 A 34 ASP H A 38 ILE H 1.0 . 5.46 28 28 A 35 CYS H A 34 ASP H 1.0 . 3.42 29 29 A 33 GLY H A 20 PHE HD% 1.0 . 3.72 30 30 A 55 CYS H A 58 CYS H 1.0 . 4.88 31 31 A 55 CYS H A 54 ILE H 1.0 . 5.29 32 32 A 55 CYS H A 53 TYR HD% 1.0 . 4.78 33 33 A 17 ASN H A 18 ASN H 1.0 . 3.87 34 34 A 41 ALA H A 43 GLY H 1.0 . 4.52 35 35 A 43 GLY H A 39 SER H 1.0 . 5.07 36 36 A 43 GLY H A 42 ARG H 1.0 . 3.35 37 37 A 43 GLY H A 45 LEU H 1.0 . 4.83 38 38 A 20 PHE HE% A 43 GLY H 1.0 . 4.92 39 39 A 43 GLY H A 20 PHE HZ 1.0 . 5.04 40 40 A 31 PHE HD% A 24 CYS H 1.0 . 4.17 41 41 A 41 ALA H A 40 GLU H 1.0 . 3.58 42 42 A 19 ARG H A 20 PHE H 1.0 . 5.01 43 43 A 20 PHE HD% A 20 PHE H 1.0 . 4.24 44 44 A 39 SER H A 40 GLU H 1.0 . 4.60 45 45 A 7 ALA H A 6 ASN H 1.0 . 3.15 46 46 A 27 CYS H A 28 GLU H 1.0 . 3.12 47 47 A 7 ALA H A 4 ASP H 1.0 . 4.78 48 48 A 52 ASP H A 51 GLU H 1.0 . 5.50 49 49 A 31 PHE HZ A 57 ASN H 1.0 . 5.50 50 50 A 57 ASN H A 57 ASN HD2x 1.0 . 5.48 51 51 A 49 ASN H A 50 GLY H 1.0 . 3.41 52 52 A 58 CYS H A 59 THR H 1.0 . 2.62 53 53 A 30 TRP H A 10 CYS H 1.0 . 4.63 54 54 A 49 ASN H A 49 ASN HD2y 1.0 . 5.08 55 55 A 43 GLY H A 44 ARG H 1.0 . 3.57 56 56 A 31 PHE HD% A 30 TRP H 1.0 . 4.61 57 57 A 30 TRP H A 9 TYR HD% 1.0 . 3.73 58 58 A 20 PHE HZ A 44 ARG H 1.0 . 5.06 59 59 A 24 CYS H A 29 GLU H 1.0 . 4.26 60 60 A 27 CYS H A 29 GLU H 1.0 . 4.72 61 61 A 28 GLU H A 29 GLU H 1.0 . 3.38 62 62 A 31 PHE HE% A 29 GLU H 1.0 . 4.16 63 63 A 51 GLU H A 50 GLY H 1.0 . 3.78 64 64 A 46 LEU H A 47 GLU H 1.0 . 3.24 65 65 A 57 ASN H A 57 ASN HD2y 1.0 . 4.61 66 66 A 31 PHE HZ A 57 ASN HD2y 1.0 . 4.10 67 67 A 14 GLN H A 32 HIS HE1 1.0 . 3.64 68 68 A 31 PHE HE% A 57 ASN HD2y 1.0 . 4.57 69 69 A 24 CYS H A 23 CYS H 1.0 . 5.03 70 70 A 38 ILE H A 39 SER H 1.0 . 4.62 71 71 A 23 CYS H A 30 TRP HH2 1.0 . 4.73 72 72 A 23 CYS H A 30 TRP HE3 1.0 . 4.51 73 73 A 23 CYS H A 30 TRP HZ3 1.0 . 4.10 74 74 A 21 MET H A 20 PHE HD% 1.0 . 3.75 75 75 A 20 PHE HE% A 21 MET H 1.0 . 4.60 76 76 A 41 ALA H A 42 ARG H 1.0 . 3.44 77 77 A 47 GLU H A 48 ARG H 1.0 . 3.35 78 78 A 11 ILE H A 10 CYS H 1.0 . 4.77 79 79 A 32 HIS H A 10 CYS H 1.0 . 5.50 80 80 A 18 ASN H A 19 ARG H 1.0 . 3.56 81 81 A 13 ARG H A 14 GLN H 1.0 . 3.39 82 82 A 24 CYS H A 28 GLU H 1.0 . 4.93 83 83 A 57 ASN H A 59 THR H 1.0 . 4.45 84 84 A 45 LEU H A 44 ARG H 1.0 . 3.36 85 85 A 45 LEU H A 46 LEU H 1.0 . 3.30 86 86 A 11 ILE H A 12 CYS H 1.0 . 3.02 87 87 A 31 PHE HD% A 32 HIS H 1.0 . 4.24 88 88 A 34 ASP H A 36 VAL H 1.0 . 4.14 89 89 A 38 ILE H A 36 VAL H 1.0 . 4.24 90 90 A 35 CYS H A 36 VAL H 1.0 . 3.20 91 91 A 36 VAL H A 37 GLY H 1.0 . 3.32 92 92 A 31 PHE HE% A 24 CYS H 1.0 . 3.96 93 93 A 31 PHE HE% A 53 TYR HE% 1.0 . 5.31 94 94 A 4 ASP H A 30 TRP HD1 1.0 . 5.50 95 95 A 30 TRP H A 30 TRP HD1 1.0 . 3.48 96 96 A 16 HIS H A 9 TYR HD% 1.0 . 4.99 97 97 A 32 HIS H A 32 HIS HD2 1.0 . 4.74 98 98 A 20 PHE HE% A 33 GLY H 1.0 . 4.47 99 99 A 33 GLY H A 32 HIS HD2 1.0 . 4.89 100 100 A 9 TYR HD% A 9 TYR H 1.0 . 3.77 101 101 A 9 TYR HE% A 30 TRP H 1.0 . 5.27 102 102 A 9 TYR HE% A 4 ASP H 1.0 . 4.07 103 103 A 9 TYR HE% A 8 LEU H 1.0 . 4.31 104 104 A 31 PHE H A 30 TRP HE3 1.0 . 4.18 105 105 A 25 ASP H A 53 TYR HD% 1.0 . 4.51 106 106 A 53 TYR H A 53 TYR HD% 1.0 . 4.39 107 107 A 24 CYS H A 53 TYR HD% 1.0 . 4.61 108 108 A 31 PHE HD% A 53 TYR HD% 1.0 . 4.87 109 109 A 31 PHE HD% A 53 TYR HE% 1.0 . 3.94 110 110 A 22 ILE H A 21 MET HA 1.0 . 2.88 111 111 A 33 GLY H A 21 MET HA 1.0 . 3.44 112 112 A 20 PHE HD% A 21 MET HA 1.0 . 5.28 113 113 A 30 TRP HE3 A 21 MET HA 1.0 . 4.87 114 114 A 16 HIS H A 15 PRO HA 1.0 . 3.36 115 115 A 17 ASN H A 15 PRO HA 1.0 . 5.24 116 116 A 7 ALA H A 15 PRO HA 1.0 . 4.07 117 117 A 9 TYR HE% A 15 PRO HA 1.0 . 4.70 118 118 A 22 ILE H A 32 HIS HA 1.0 . 3.87 119 119 A 33 GLY H A 32 HIS HA 1.0 . 2.89 120 120 A 21 MET H A 32 HIS HA 1.0 . 5.50 121 121 A 35 CYS H A 32 HIS HA 1.0 . 5.50 122 122 A 20 PHE HD% A 32 HIS HA 1.0 . 5.50 123 123 A 32 HIS HD2 A 32 HIS HA 1.0 . 3.97 124 124 A 9 TYR H A 14 GLN HA 1.0 . 5.50 125 125 A 32 HIS HE1 A 14 GLN HA 1.0 . 4.79 126 126 A 31 PHE H A 30 TRP HA 1.0 . 2.91 127 127 A 24 CYS H A 30 TRP HA 1.0 . 4.21 128 128 A 31 PHE HD% A 30 TRP HA 1.0 . 3.81 129 129 A 7 ALA H A 6 ASN HA 1.0 . 3.11 130 130 A 11 ILE H A 10 CYS HBy 1.0 . 4.39 131 131 A 32 HIS H A 10 CYS HBy 1.0 . 5.26 132 132 A 12 CYS H A 10 CYS HBy 1.0 . 3.57 133 133 A 32 HIS HE1 A 10 CYS HBy 1.0 . 3.93 134 134 A 53 TYR H A 52 ASP HA 1.0 . 2.79 135 135 A 25 ASP H A 54 ILE HA 1.0 . 4.38 136 136 A 26 ARG H A 54 ILE HA 1.0 . 4.57 137 137 A 55 CYS H A 54 ILE HA 1.0 . 2.71 138 138 A 9 TYR HE% A 29 GLU HA 1.0 . 5.50 139 139 A 38 ILE H A 36 VAL HA 1.0 . 5.30 140 140 A 30 TRP H A 29 GLU HA 1.0 . 2.87 141 141 A 37 GLY H A 36 VAL HA 1.0 . 3.55 142 142 A 30 TRP HD1 A 29 GLU HA 1.0 . 3.92 143 143 A 9 TYR HD% A 29 GLU HA 1.0 . 5.48 144 144 A 32 HIS H A 31 PHE HA 1.0 . 3.02 145 145 A 10 CYS H A 31 PHE HA 1.0 . 4.18 146 146 A 31 PHE HD% A 31 PHE HA 1.0 . 3.47 147 147 A 53 TYR HE% A 24 CYS HA 1.0 . 4.36 148 148 A 25 ASP H A 24 CYS HA 1.0 . 2.55 149 149 A 28 GLU H A 26 ARG HA 1.0 . 4.62 150 150 A 21 MET H A 20 PHE HA 1.0 . 2.69 151 151 A 26 ARG HA A 26 ARG HE 1.0 . 5.25 152 152 A 20 PHE HD% A 20 PHE HA 1.0 . 3.09 153 153 A 54 ILE H A 53 TYR HA 1.0 . 2.74 154 154 A 16 HIS HA A 32 HIS HE2 1.0 . 3.45 155 155 A 2 SER HA A 3 MET H 1.0 . 3.29 156 156 A 40 GLU H A 39 SER HA 1.0 . 2.90 157 157 A 41 ALA H A 39 SER HA 1.0 . 4.56 158 158 A 20 PHE H A 19 ARG HA 1.0 . 2.80 159 159 A 19 ARG HA A 19 ARG HE 1.0 . 5.30 160 160 A 24 CYS H A 23 CYS HA 1.0 . 2.88 161 161 A 37 GLY H A 34 ASP HA 1.0 . 4.18 162 162 A 31 PHE HD% A 23 CYS HA 1.0 . 4.61 163 163 A 36 VAL H A 34 ASP HA 1.0 . 4.81 164 164 A 20 PHE HZ A 22 ILE HA 1.0 . 4.45 165 165 A 30 TRP HE3 A 22 ILE HA 1.0 . 4.06 166 166 A 30 TRP HE3 A 23 CYS HA 1.0 . 4.42 167 167 A 30 TRP HZ3 A 22 ILE HA 1.0 . 3.48 168 168 A 52 ASP H A 51 GLU HA 1.0 . 2.77 169 169 A 39 SER H A 38 ILE HA 1.0 . 2.61 170 170 A 58 CYS H A 55 CYS HA 1.0 . 5.18 171 171 A 53 TYR HD% A 55 CYS HA 1.0 . 4.38 172 172 A 53 TYR HE% A 55 CYS HA 1.0 . 3.72 173 173 A 46 LEU H A 44 ARG HA 1.0 . 4.71 174 174 A 33 GLY H A 33 GLY HAy 1.0 . 2.79 175 175 A 20 PHE HD% A 33 GLY HAy 1.0 . 3.10 176 176 A 20 PHE HE% A 33 GLY HAy 1.0 . 3.45 177 177 A 20 PHE HZ A 33 GLY HAy 1.0 . 5.50 178 178 A 20 PHE HZ A 44 ARG HA 1.0 . 5.50 179 179 A 40 GLU H A 39 SER HBy 1.0 . 3.79 180 180 A 41 ALA H A 39 SER HBy 1.0 . 3.70 181 181 A 32 HIS H A 32 HIS HBx 1.0 . 3.47 182 182 A 28 GLU H A 28 GLU HA 1.0 . 2.70 183 183 A 24 CYS H A 28 GLU HA 1.0 . 4.70 184 184 A 27 CYS H A 28 GLU HA 1.0 . 4.56 185 185 A 17 ASN H A 17 ASN HA 1.0 . 2.89 186 186 A 3 MET HA A 30 TRP HE1 1.0 . 4.80 187 187 A 4 ASP H A 3 MET HA 1.0 . 2.90 188 188 A 30 TRP HD1 A 3 MET HA 1.0 . 4.94 189 189 A 9 TYR HE% A 3 MET HA 1.0 . 4.43 190 190 A 36 VAL H A 37 GLY HAy 1.0 . 5.34 191 191 A 8 LEU H A 7 ALA HA 1.0 . 2.76 192 192 A 59 THR H A 59 THR HB 1.0 . 3.22 193 193 A 59 THR HB A 60 ILE H 1.0 . 4.02 194 194 A 52 ASP H A 50 GLY HAx 1.0 . 5.11 195 194 A 52 ASP H A 50 GLY HAy 1.0 . 5.11 196 195 A 51 GLU H A 50 GLY HAx 1.0 . 3.35 197 195 A 51 GLU H A 50 GLY HAy 1.0 . 3.35 198 196 A 50 GLY H A 50 GLY HAx 1.0 . 2.74 199 196 A 50 GLY H A 50 GLY HAy 1.0 . 2.74 200 197 A 43 GLY H A 41 ALA HA 1.0 . 5.50 201 198 A 6 ASN H A 5 PRO HDx 1.0 . 3.32 202 199 A 44 ARG H A 41 ALA HA 1.0 . 4.11 203 200 A 11 ILE H A 10 CYS HA 1.0 . 3.40 204 201 A 32 HIS H A 10 CYS HA 1.0 . 4.57 205 202 A 4 ASP H A 5 PRO HDy 1.0 . 5.12 206 203 A 10 CYS H A 10 CYS HA 1.0 . 2.94 207 204 A 31 PHE HD% A 10 CYS HA 1.0 . 3.26 208 205 A 31 PHE HE% A 10 CYS HA 1.0 . 4.02 209 206 A 14 GLN H A 13 ARG HA 1.0 . 2.99 210 207 A 13 ARG H A 13 ARG HA 1.0 . 2.64 211 208 A 36 VAL H A 37 GLY HAx 1.0 . 5.34 212 209 A 9 TYR HD% A 8 LEU HA 1.0 . 4.23 213 210 A 13 ARG HA A 13 ARG HE 1.0 . 4.73 214 211 A 3 MET H A 2 SER HBy 1.0 . 4.25 215 212 A 55 CYS H A 56 PRO HDy 1.0 . 5.21 216 213 A 43 GLY H A 43 GLY HAy 1.0 . 2.90 217 214 A 44 ARG H A 43 GLY HAy 1.0 . 3.46 218 215 A 20 PHE HD% A 43 GLY HAy 1.0 . 5.17 219 216 A 20 PHE HE% A 43 GLY HAy 1.0 . 3.81 220 217 A 20 PHE HZ A 43 GLY HAy 1.0 . 3.34 221 218 A 53 TYR HE% A 56 PRO HDy 1.0 . 4.61 222 219 A 42 ARG H A 43 GLY HAy 1.0 . 5.09 223 220 A 46 LEU H A 43 GLY HAx 1.0 . 3.96 224 221 A 47 GLU H A 43 GLY HAx 1.0 . 4.99 225 222 A 45 LEU H A 43 GLY HAx 1.0 . 5.09 226 223 A 14 GLN H A 15 PRO HDy 1.0 . 5.22 227 224 A 25 ASP H A 24 CYS HBy 1.0 . 4.77 228 225 A 26 ARG H A 24 CYS HBy 1.0 . 5.13 229 226 A 24 CYS H A 24 CYS HBy 1.0 . 3.14 230 227 A 29 GLU H A 24 CYS HBy 1.0 . 3.41 231 228 A 31 PHE HD% A 24 CYS HBy 1.0 . 4.38 232 229 A 53 TYR HD% A 24 CYS HBy 1.0 . 5.21 233 230 A 38 ILE H A 33 GLY HAx 1.0 . 4.04 234 231 A 36 VAL H A 33 GLY HAx 1.0 . 4.36 235 232 A 20 PHE HD% A 33 GLY HAx 1.0 . 3.82 236 233 A 20 PHE HE% A 33 GLY HAx 1.0 . 4.01 237 234 A 22 ILE H A 33 GLY HAx 1.0 . 5.04 238 235 A 14 GLN H A 15 PRO HDx 1.0 . 4.88 239 236 A 32 HIS HE1 A 15 PRO HDx 1.0 . 5.24 240 237 A 32 HIS H A 32 HIS HBy 1.0 . 4.00 241 238 A 32 HIS H A 35 CYS HBx 1.0 . 4.22 242 239 A 35 CYS H A 35 CYS HBx 1.0 . 2.97 243 240 A 33 GLY H A 32 HIS HBy 1.0 . 3.42 244 241 A 19 ARG HE A 32 HIS HBy 1.0 . 4.89 245 242 A 32 HIS HD2 A 32 HIS HBy 1.0 . 3.60 246 243 A 20 PHE H A 20 PHE HBx 1.0 . 3.13 247 244 A 21 MET H A 20 PHE HBx 1.0 . 4.23 248 245 A 42 ARG H A 42 ARG HDy 1.0 . 5.50 249 246 A 32 HIS H A 31 PHE HBy 1.0 . 3.51 250 247 A 12 CYS H A 12 CYS HBy 1.0 . 3.81 251 248 A 42 ARG H A 42 ARG HDx 1.0 . 5.50 252 249 A 48 ARG H A 48 ARG HDx 1.0 . 3.83 253 249 A 48 ARG H A 48 ARG HDy 1.0 . 3.83 254 250 A 26 ARG H A 26 ARG HDy 1.0 . 5.38 255 251 A 18 ASN H A 16 HIS HBx 1.0 . 5.46 256 252 A 35 CYS H A 35 CYS HBy 1.0 . 3.61 257 253 A 32 HIS HE1 A 12 CYS HBx 1.0 . 5.50 258 254 A 26 ARG H A 26 ARG HDx 1.0 . 5.38 259 255 A 17 ASN H A 17 ASN HBy 1.0 . 4.16 260 256 A 57 ASN H A 57 ASN HBx 1.0 . 2.92 261 257 A 58 CYS H A 57 ASN HBx 1.0 . 3.53 262 258 A 57 ASN HD2y A 57 ASN HBx 1.0 . 3.16 263 259 A 55 CYS H A 56 PRO HDx 1.0 . 4.95 264 260 A 31 PHE HD% A 56 PRO HDx 1.0 . 4.81 265 261 A 53 TYR HE% A 56 PRO HDx 1.0 . 5.31 266 262 A 51 GLU H A 49 ASN HBy 1.0 . 4.56 267 263 A 10 CYS H A 9 TYR HBy 1.0 . 3.59 268 264 A 9 TYR HE% A 16 HIS HBy 1.0 . 5.31 269 265 A 20 PHE H A 20 PHE HBy 1.0 . 2.98 270 266 A 21 MET H A 20 PHE HBy 1.0 . 4.61 271 267 A 4 ASP H A 4 ASP HBx 1.0 . 3.17 272 268 A 49 ASN H A 49 ASN HBx 1.0 . 3.59 273 269 A 51 GLU H A 49 ASN HBx 1.0 . 4.56 274 270 A 49 ASN HD2x A 49 ASN HBx 1.0 . 3.91 275 271 A 53 TYR H A 53 TYR HBx 1.0 . 3.05 276 271 A 53 TYR H A 53 TYR HBy 1.0 . 3.05 277 272 A 25 ASP H A 24 CYS HBx 1.0 . 4.36 278 273 A 34 ASP H A 34 ASP HBy 1.0 . 3.59 279 274 A 57 ASN H A 57 ASN HBy 1.0 . 3.47 280 275 A 55 CYS H A 24 CYS HBx 1.0 . 3.29 281 276 A 24 CYS H A 24 CYS HBx 1.0 . 3.32 282 277 A 6 ASN H A 6 ASN HBy 1.0 . 3.81 283 278 A 58 CYS H A 57 ASN HBy 1.0 . 3.42 284 279 A 29 GLU H A 24 CYS HBx 1.0 . 4.37 285 280 A 35 CYS H A 34 ASP HBy 1.0 . 3.80 286 281 A 31 PHE HE% A 24 CYS HBx 1.0 . 3.09 287 282 A 59 THR H A 58 CYS HBx 1.0 . 3.49 288 283 A 34 ASP H A 34 ASP HBx 1.0 . 3.59 289 284 A 35 CYS H A 34 ASP HBx 1.0 . 3.80 290 285 A 9 TYR HE% A 4 ASP HBy 1.0 . 5.50 291 286 A 6 ASN H A 4 ASP HBy 1.0 . 3.39 292 287 A 42 ARG H A 40 GLU HA 1.0 . 4.97 293 288 A 7 ALA H A 4 ASP HBy 1.0 . 4.10 294 289 A 43 GLY H A 40 GLU HA 1.0 . 4.10 295 290 A 44 ARG H A 40 GLU HA 1.0 . 4.79 296 291 A 20 PHE HD% A 40 GLU HA 1.0 . 4.01 297 292 A 20 PHE HZ A 40 GLU HA 1.0 . 4.30 298 293 A 32 HIS H A 31 PHE HBx 1.0 . 4.41 299 294 A 38 ILE H A 36 VAL HB 1.0 . 3.81 300 295 A 37 GLY H A 36 VAL HB 1.0 . 4.48 301 296 A 53 TYR HE% A 31 PHE HBx 1.0 . 4.38 302 297 A 53 TYR HE% A 36 VAL HB 1.0 . 4.94 303 298 A 25 ASP H A 25 ASP HBy 1.0 . 3.69 304 299 A 26 ARG H A 25 ASP HBy 1.0 . 4.01 305 300 A 31 PHE H A 31 PHE HBx 1.0 . 3.07 306 301 A 53 TYR HD% A 31 PHE HBx 1.0 . 5.32 307 302 A 13 ARG H A 14 GLN HGx 1.0 . 4.91 308 302 A 13 ARG H A 14 GLN HGy 1.0 . 4.91 309 303 A 14 GLN H A 14 GLN HGx 1.0 . 3.65 310 303 A 14 GLN H A 14 GLN HGy 1.0 . 3.65 311 304 A 52 ASP H A 52 ASP HBx 1.0 . 2.99 312 304 A 52 ASP H A 52 ASP HBy 1.0 . 2.99 313 305 A 32 HIS HE2 A 21 MET HGx 1.0 . 4.78 314 306 A 17 ASN H A 17 ASN HBx 1.0 . 4.16 315 307 A 21 MET H A 21 MET HGx 1.0 . 4.34 316 308 A 32 HIS H A 10 CYS HBx 1.0 . 3.38 317 309 A 57 ASN H A 55 CYS HBx 1.0 . 3.68 318 310 A 31 PHE HZ A 55 CYS HBx 1.0 . 4.87 319 311 A 12 CYS H A 10 CYS HBx 1.0 . 4.52 320 312 A 32 HIS HE1 A 10 CYS HBx 1.0 . 3.99 321 313 A 31 PHE HD% A 55 CYS HBx 1.0 . 5.50 322 314 A 30 TRP HZ3 A 30 TRP HBx 1.0 . 4.85 323 314 A 30 TRP HZ3 A 30 TRP HBy 1.0 . 4.85 324 315 A 14 GLN H A 13 ARG HBy 1.0 . 5.50 325 316 A 19 ARG HE A 19 ARG HBy 1.0 . 4.01 326 317 A 32 HIS HE2 A 14 GLN HBy 1.0 . 5.50 327 318 A 32 HIS HE2 A 21 MET HGy 1.0 . 5.50 328 319 A 22 ILE H A 21 MET HGy 1.0 . 5.21 329 320 A 21 MET H A 21 MET HGy 1.0 . 4.05 330 321 A 32 HIS HE1 A 14 GLN HBy 1.0 . 3.49 331 322 A 11 ILE H A 11 ILE HB 1.0 . 3.74 332 323 A 24 CYS H A 29 GLU HBx 1.0 . 5.31 333 324 A 51 GLU H A 51 GLU HGx 1.0 . 5.50 334 324 A 51 GLU H A 51 GLU HGy 1.0 . 5.50 335 325 A 50 GLY H A 51 GLU HGx 1.0 . 5.50 336 325 A 50 GLY H A 51 GLU HGy 1.0 . 5.50 337 326 A 12 CYS H A 11 ILE HB 1.0 . 3.91 338 327 A 49 ASN HD2y A 51 GLU HGx 1.0 . 5.14 339 327 A 49 ASN HD2y A 51 GLU HGy 1.0 . 5.14 340 328 A 30 TRP H A 29 GLU HBx 1.0 . 5.50 341 329 A 26 ARG H A 26 ARG HBy 1.0 . 3.43 342 330 A 27 CYS H A 26 ARG HBy 1.0 . 3.31 343 331 A 32 HIS HE2 A 14 GLN HBx 1.0 . 4.81 344 332 A 55 CYS H A 55 CYS HBy 1.0 . 3.03 345 333 A 31 PHE HE% A 29 GLU HBy 1.0 . 3.05 346 334 A 53 TYR HD% A 55 CYS HBy 1.0 . 4.70 347 335 A 31 PHE H A 29 GLU HBy 1.0 . 5.50 348 336 A 30 TRP H A 29 GLU HBy 1.0 . 5.50 349 337 A 26 ARG HE A 26 ARG HBx 1.0 . 5.00 350 338 A 26 ARG H A 26 ARG HBx 1.0 . 3.20 351 339 A 27 CYS H A 26 ARG HBx 1.0 . 3.27 352 340 A 10 CYS H A 9 TYR HBx 1.0 . 5.50 353 341 A 43 GLY H A 42 ARG HBy 1.0 . 3.86 354 342 A 19 ARG HE A 19 ARG HBx 1.0 . 4.01 355 343 A 38 ILE H A 56 PRO HGx 1.0 . 5.50 356 343 A 38 ILE H A 56 PRO HGy 1.0 . 5.50 357 344 A 50 GLY H A 46 LEU HBy 1.0 . 5.50 358 345 A 60 ILE HB A 61 LEU H 1.0 . 5.50 359 346 A 19 ARG HE A 19 ARG HGy 1.0 . 4.03 360 347 A 44 ARG HBx A 44 ARG HE 1.0 . 5.50 361 348 A 20 PHE HE% A 44 ARG HBx 1.0 . 4.32 362 349 A 40 GLU H A 40 GLU HGx 1.0 . 3.97 363 349 A 40 GLU H A 40 GLU HGy 1.0 . 3.97 364 350 A 20 PHE HD% A 40 GLU HGx 1.0 . 3.52 365 350 A 20 PHE HD% A 40 GLU HGy 1.0 . 3.52 366 351 A 20 PHE HZ A 44 ARG HBx 1.0 . 5.50 367 352 A 33 GLY H A 21 MET HBy 1.0 . 5.50 368 353 A 30 TRP HE3 A 21 MET HBy 1.0 . 3.12 369 354 A 30 TRP HZ3 A 21 MET HBy 1.0 . 4.12 370 355 A 31 PHE HD% A 11 ILE HG1y 1.0 . 5.50 371 356 A 57 ASN H A 56 PRO HBy 1.0 . 3.96 372 357 A 19 ARG HE A 19 ARG HGx 1.0 . 4.03 373 358 A 13 ARG HE A 13 ARG HGy 1.0 . 4.02 374 359 A 20 PHE HE% A 38 ILE HB 1.0 . 3.65 375 360 A 49 ASN HD2y A 45 LEU HG 1.0 . 4.51 376 361 A 40 GLU H A 40 GLU HBy 1.0 . 3.68 377 362 A 38 ILE H A 38 ILE HB 1.0 . 3.21 378 363 A 41 ALA H A 40 GLU HBy 1.0 . 5.50 379 364 A 50 GLY H A 46 LEU HBx 1.0 . 5.50 380 365 A 20 PHE HD% A 38 ILE HB 1.0 . 4.95 381 366 A 42 ARG H A 42 ARG HGx 1.0 . 5.50 382 367 A 27 CYS H A 26 ARG HGx 1.0 . 4.37 383 367 A 27 CYS H A 26 ARG HGy 1.0 . 4.37 384 368 A 26 ARG HE A 26 ARG HGx 1.0 . 3.78 385 368 A 26 ARG HE A 26 ARG HGy 1.0 . 3.78 386 369 A 11 ILE H A 11 ILE HG1x 1.0 . 3.09 387 370 A 24 CYS H A 23 CYS HBy 1.0 . 4.74 388 371 A 31 PHE HD% A 11 ILE HG1x 1.0 . 5.50 389 372 A 23 CYS HBy A 30 TRP HZ2 1.0 . 4.99 390 373 A 30 TRP HZ3 A 21 MET HBx 1.0 . 3.79 391 374 A 7 ALA H A 8 LEU HG 1.0 . 5.50 392 375 A 13 ARG HE A 13 ARG HGx 1.0 . 4.02 393 376 A 55 CYS H A 54 ILE HB 1.0 . 4.62 394 377 A 54 ILE H A 54 ILE HB 1.0 . 3.23 395 378 A 4 ASP H A 3 MET HBy 1.0 . 4.56 396 379 A 60 ILE H A 60 ILE HG1y 1.0 . 3.74 397 380 A 43 GLY H A 41 ALA HB% 1.0 . 5.00 398 381 A 40 GLU H A 41 ALA HB% 1.0 . 4.95 399 382 A 44 ARG H A 41 ALA HB% 1.0 . 5.02 400 383 A 41 ALA H A 41 ALA HB% 1.0 . 2.80 401 384 A 42 ARG H A 41 ALA HB% 1.0 . 3.23 402 385 A 11 ILE H A 11 ILE HG2% 1.0 . 3.49 403 386 A 25 ASP H A 54 ILE HG1y 1.0 . 5.13 404 387 A 26 ARG H A 54 ILE HG1y 1.0 . 5.41 405 388 A 31 PHE HZ A 11 ILE HG2% 1.0 . 5.11 406 389 A 12 CYS H A 11 ILE HG2% 1.0 . 4.50 407 390 A 31 PHE HD% A 11 ILE HG2% 1.0 . 3.47 408 391 A 31 PHE HE% A 11 ILE HG2% 1.0 . 3.14 409 392 A 54 ILE H A 54 ILE HG1y 1.0 . 3.93 410 393 A 23 CYS H A 22 ILE HG1x 1.0 . 3.22 411 394 A 30 TRP HZ3 A 22 ILE HG1x 1.0 . 5.50 412 395 A 30 TRP HE3 A 22 ILE HG1x 1.0 . 5.50 413 396 A 53 TYR HD% A 22 ILE HG1x 1.0 . 4.14 414 397 A 38 ILE H A 38 ILE HG1x 1.0 . 3.41 415 397 A 38 ILE H A 38 ILE HG1y 1.0 . 3.41 416 398 A 53 TYR HE% A 38 ILE HG1x 1.0 . 3.92 417 398 A 53 TYR HE% A 38 ILE HG1y 1.0 . 3.92 418 399 A 33 GLY H A 22 ILE HB 1.0 . 5.17 419 400 A 4 ASP H A 3 MET HBx 1.0 . 4.56 420 401 A 3 MET H A 3 MET HBx 1.0 . 4.11 421 402 A 60 ILE H A 60 ILE HG1x 1.0 . 3.74 422 403 A 30 TRP HZ3 A 22 ILE HB 1.0 . 5.24 423 404 A 22 ILE H A 22 ILE HB 1.0 . 3.78 424 405 A 20 PHE HD% A 22 ILE HB 1.0 . 4.96 425 406 A 30 TRP HE3 A 22 ILE HB 1.0 . 5.50 426 407 A 58 CYS H A 59 THR HG2% 1.0 . 5.18 427 408 A 59 THR H A 59 THR HG2% 1.0 . 3.55 428 409 A 60 ILE H A 59 THR HG2% 1.0 . 3.81 429 410 A 6 ASN H A 7 ALA HB% 1.0 . 4.16 430 411 A 4 ASP H A 7 ALA HB% 1.0 . 4.19 431 412 A 8 LEU H A 7 ALA HB% 1.0 . 3.14 432 413 A 7 ALA H A 7 ALA HB% 1.0 . 2.86 433 414 A 9 TYR HE% A 7 ALA HB% 1.0 . 3.28 434 415 A 35 CYS H A 11 ILE HD1% 1.0 . 5.50 435 416 A 31 PHE HE% A 11 ILE HD1% 1.0 . 4.99 436 417 A 26 ARG H A 54 ILE HG1x 1.0 . 4.87 437 418 A 55 CYS H A 54 ILE HG1x 1.0 . 4.90 438 419 A 54 ILE H A 54 ILE HG1x 1.0 . 4.26 439 420 A 46 LEU H A 46 LEU HDy% 1.0 . 3.94 440 421 A 47 GLU H A 46 LEU HDy% 1.0 . 5.40 441 422 A 49 ASN HD2y A 45 LEU HDy% 1.0 . 4.98 442 423 A 32 HIS HE2 A 21 MET HE% 1.0 . 4.82 443 424 A 31 PHE H A 21 MET HE% 1.0 . 4.10 444 425 A 30 TRP H A 21 MET HE% 1.0 . 4.61 445 426 A 10 CYS H A 21 MET HE% 1.0 . 5.31 446 427 A 60 ILE H A 60 ILE HG2% 1.0 . 3.80 447 428 A 9 TYR HD% A 21 MET HE% 1.0 . 3.48 448 429 A 9 TYR HE% A 21 MET HE% 1.0 . 5.31 449 430 A 30 TRP HZ3 A 21 MET HE% 1.0 . 5.50 450 431 A 46 LEU H A 46 LEU HDx% 1.0 . 3.94 451 432 A 11 ILE H A 36 VAL HGx% 1.0 . 5.42 452 433 A 57 ASN H A 36 VAL HGx% 1.0 . 4.66 453 434 A 31 PHE HD% A 36 VAL HGx% 1.0 . 3.24 454 435 A 31 PHE HE% A 36 VAL HGx% 1.0 . 4.67 455 436 A 33 GLY H A 36 VAL HGy% 1.0 . 3.99 456 437 A 38 ILE H A 36 VAL HGy% 1.0 . 3.13 457 438 A 14 GLN H A 8 LEU HDx% 1.0 . 5.04 458 439 A 42 ARG H A 38 ILE HG2% 1.0 . 4.57 459 440 A 8 LEU H A 8 LEU HDx% 1.0 . 4.42 460 441 A 37 GLY H A 36 VAL HGy% 1.0 . 3.42 461 442 A 36 VAL H A 36 VAL HGy% 1.0 . 2.78 462 443 A 20 PHE HD% A 38 ILE HG2% 1.0 . 4.29 463 444 A 13 ARG HE A 8 LEU HDx% 1.0 . 4.76 464 445 A 53 TYR HE% A 36 VAL HGy% 1.0 . 3.74 465 446 A 43 GLY H A 38 ILE HG2% 1.0 . 3.63 466 447 A 20 PHE HE% A 38 ILE HG2% 1.0 . 3.26 467 448 A 20 PHE HZ A 38 ILE HG2% 1.0 . 3.99 468 449 A 53 TYR HE% A 38 ILE HD1% 1.0 . 3.64 469 450 A 26 ARG H A 54 ILE HD1% 1.0 . 4.28 470 451 A 26 ARG HE A 54 ILE HD1% 1.0 . 4.37 471 452 A 9 TYR HD% A 3 MET HE% 1.0 . 4.79 472 453 A 30 TRP HE1 A 3 MET HE% 1.0 . 4.85 473 454 A 4 ASP H A 3 MET HE% 1.0 . 5.50 474 455 A 17 ASN H A 3 MET HE% 1.0 . 5.50 475 456 A 3 MET H A 3 MET HE% 1.0 . 5.07 476 457 A 30 TRP HZ2 A 3 MET HE% 1.0 . 5.31 477 458 A 30 TRP HH2 A 3 MET HE% 1.0 . 4.52 478 459 A 30 TRP HE3 A 3 MET HE% 1.0 . 4.49 479 460 A 54 ILE H A 54 ILE HG2% 1.0 . 4.10 480 461 A 30 TRP HZ3 A 3 MET HE% 1.0 . 4.64 481 462 A 55 CYS H A 54 ILE HG2% 1.0 . 3.35 482 463 A 58 CYS H A 54 ILE HG2% 1.0 . 4.09 483 464 A 59 THR H A 54 ILE HG2% 1.0 . 3.72 484 465 A 22 ILE H A 22 ILE HG1y 1.0 . 4.77 485 466 A 23 CYS H A 22 ILE HG1y 1.0 . 3.78 486 467 A 20 PHE HE% A 22 ILE HG1y 1.0 . 5.16 487 468 A 53 TYR HD% A 22 ILE HG1y 1.0 . 4.19 488 469 A 14 GLN H A 8 LEU HDy% 1.0 . 4.00 489 470 A 8 LEU H A 8 LEU HDy% 1.0 . 4.03 490 471 A 13 ARG H A 8 LEU HDy% 1.0 . 4.67 491 472 A 22 ILE H A 22 ILE HD1% 1.0 . 4.89 492 473 A 43 GLY H A 22 ILE HD1% 1.0 . 5.02 493 474 A 31 PHE HD% A 22 ILE HD1% 1.0 . 5.50 494 475 A 20 PHE HD% A 22 ILE HD1% 1.0 . 5.50 495 476 A 20 PHE HE% A 22 ILE HD1% 1.0 . 3.99 496 477 A 24 CYS H A 22 ILE HG2% 1.0 . 5.50 497 478 A 22 ILE H A 22 ILE HG2% 1.0 . 3.08 498 479 A 33 GLY H A 22 ILE HG2% 1.0 . 4.31 499 480 A 38 ILE H A 22 ILE HG2% 1.0 . 5.23 500 481 A 23 CYS H A 22 ILE HG2% 1.0 . 4.42 501 482 A 31 PHE HD% A 22 ILE HG2% 1.0 . 4.01 502 483 A 20 PHE HD% A 22 ILE HG2% 1.0 . 5.19 503 484 A 20 PHE HE% A 22 ILE HG2% 1.0 . 3.95 504 485 A 20 PHE HZ A 22 ILE HG2% 1.0 . 5.16 505 486 A 30 TRP HE3 A 22 ILE HG2% 1.0 . 5.15 506 487 A 53 TYR HD% A 22 ILE HG2% 1.0 . 4.13 507 488 A 53 TYR HE% A 22 ILE HG2% 1.0 . 4.00 508 489 A 30 TRP HE1 A 23 CYS HBx 1.0 . 4.49 509 490 A 24 CYS H A 23 CYS HBx 1.0 . 4.51 510 491 A 23 CYS H A 23 CYS HBx 1.0 . 3.37 511 492 A 30 TRP HZ2 A 23 CYS HBx 1.0 . 4.35 512 493 A 30 TRP HD1 A 23 CYS HBx 1.0 . 5.50 513 494 A 30 TRP HH2 A 23 CYS HBx 1.0 . 4.27 514 495 A 30 TRP HE3 A 23 CYS HBx 1.0 . 4.29 515 496 A 30 TRP HZ3 A 23 CYS HBx 1.0 . 4.19 516 497 A 11 ILE H A 35 CYS HBx 1.0 . 4.99 517 498 A 11 ILE H A 31 PHE HBy 1.0 . 4.84 518 499 A 11 ILE H A 35 CYS HBy 1.0 . 5.07 519 500 A 11 ILE H A 10 CYS HBx 1.0 . 4.36 520 501 A 11 ILE H A 11 ILE HG1y 1.0 . 3.68 521 502 A 11 ILE H A 11 ILE HD1% 1.0 . 4.48 522 503 A 30 TRP HE1 A 23 CYS HG 1.0 . 5.17 523 504 A 16 HIS H A 16 HIS HBx 1.0 . 3.67 524 505 A 16 HIS H A 16 HIS HBy 1.0 . 3.41 525 506 A 16 HIS H A 15 PRO HBx 1.0 . 3.79 526 507 A 16 HIS H A 15 PRO HGy 1.0 . 5.40 527 508 A 16 HIS H A 15 PRO HBy 1.0 . 3.79 528 509 A 32 HIS H A 35 CYS HBy 1.0 . 5.04 529 510 A 32 HIS H A 21 MET HE% 1.0 . 4.14 530 511 A 25 ASP H A 53 TYR HBx 1.0 . 4.64 531 511 A 25 ASP H A 53 TYR HBy 1.0 . 4.64 532 512 A 26 ARG H A 26 ARG HGx 1.0 . 3.73 533 512 A 26 ARG H A 26 ARG HGy 1.0 . 3.73 534 513 A 26 ARG H A 54 ILE HG2% 1.0 . 4.76 535 514 A 31 PHE H A 31 PHE HBy 1.0 . 3.96 536 515 A 31 PHE H A 30 TRP HBx 1.0 . 3.52 537 515 A 31 PHE H A 30 TRP HBy 1.0 . 3.52 538 516 A 53 TYR H A 25 ASP HBx 1.0 . 4.59 539 517 A 53 TYR H A 52 ASP HBx 1.0 . 3.81 540 517 A 53 TYR H A 52 ASP HBy 1.0 . 3.81 541 518 A 22 ILE H A 21 MET HBy 1.0 . 3.46 542 519 A 22 ILE H A 21 MET HBx 1.0 . 4.21 543 520 A 22 ILE H A 22 ILE HG1x 1.0 . 5.16 544 521 A 53 TYR H A 22 ILE HD1% 1.0 . 4.54 545 522 A 34 ASP H A 32 HIS HBy 1.0 . 3.44 546 523 A 33 GLY H A 21 MET HGy 1.0 . 5.36 547 524 A 55 CYS H A 55 CYS HBx 1.0 . 3.74 548 525 A 55 CYS H A 54 ILE HG1y 1.0 . 5.35 549 526 A 55 CYS H A 54 ILE HD1% 1.0 . 5.50 550 527 A 18 ASN H A 16 HIS HBy 1.0 . 5.50 551 528 A 43 GLY H A 42 ARG HBx 1.0 . 3.86 552 529 A 43 GLY H A 42 ARG HGy 1.0 . 4.72 553 530 A 43 GLY H A 42 ARG HGx 1.0 . 4.72 554 531 A 43 GLY H A 38 ILE HG1x 1.0 . 5.50 555 531 A 43 GLY H A 38 ILE HG1y 1.0 . 5.50 556 532 A 24 CYS H A 55 CYS HBy 1.0 . 5.40 557 533 A 24 CYS H A 23 CYS HG 1.0 . 4.96 558 534 A 40 GLU H A 39 SER HBx 1.0 . 3.79 559 535 A 6 ASN H A 6 ASN HBx 1.0 . 3.81 560 536 A 40 GLU H A 40 GLU HBx 1.0 . 3.68 561 537 A 40 GLU H A 38 ILE HG2% 1.0 . 4.92 562 538 A 27 CYS H A 24 CYS HBx 1.0 . 5.06 563 539 A 27 CYS H A 58 CYS HBx 1.0 . 5.36 564 540 A 27 CYS H A 24 CYS HBy 1.0 . 3.78 565 541 A 38 ILE H A 56 PRO HDy 1.0 . 5.50 566 542 A 38 ILE H A 38 ILE HD1% 1.0 . 4.43 567 543 A 38 ILE H A 36 VAL HGx% 1.0 . 4.58 568 544 A 17 ASN H A 15 PRO HGy 1.0 . 5.50 569 545 A 17 ASN H A 16 HIS HBx 1.0 . 4.52 570 546 A 4 ASP H A 4 ASP HBy 1.0 . 3.70 571 547 A 57 ASN H A 56 PRO HDy 1.0 . 4.99 572 548 A 52 ASP H A 51 GLU HGx 1.0 . 5.50 573 548 A 52 ASP H A 51 GLU HGy 1.0 . 5.50 574 549 A 57 ASN H A 55 CYS HBy 1.0 . 5.50 575 550 A 52 ASP H A 51 GLU HBy 1.0 . 5.50 576 551 A 52 ASP H A 51 GLU HBx 1.0 . 5.50 577 552 A 57 ASN H A 56 PRO HGx 1.0 . 5.50 578 552 A 57 ASN H A 56 PRO HGy 1.0 . 5.50 579 553 A 3 MET H A 3 MET HBy 1.0 . 4.11 580 554 A 58 CYS H A 59 THR HA 1.0 . 5.13 581 555 A 49 ASN H A 46 LEU HA 1.0 . 3.62 582 556 A 44 ARG H A 44 ARG HGx 1.0 . 5.50 583 556 A 44 ARG H A 44 ARG HGy 1.0 . 5.50 584 557 A 46 LEU H A 43 GLY HAy 1.0 . 5.50 585 558 A 46 LEU H A 46 LEU HG 1.0 . 5.50 586 559 A 14 GLN H A 10 CYS HBx 1.0 . 4.67 587 560 A 14 GLN H A 8 LEU HBy 1.0 . 5.50 588 561 A 41 ALA H A 40 GLU HBx 1.0 . 5.50 589 562 A 39 SER H A 42 ARG HBy 1.0 . 5.50 590 563 A 39 SER H A 42 ARG HBx 1.0 . 5.50 591 564 A 39 SER H A 38 ILE HB 1.0 . 5.50 592 565 A 23 CYS H A 22 ILE HB 1.0 . 4.13 593 566 A 39 SER H A 38 ILE HG2% 1.0 . 3.73 594 567 A 23 CYS H A 22 ILE HD1% 1.0 . 4.20 595 568 A 23 CYS H A 23 CYS HG 1.0 . 5.47 596 569 A 42 ARG H A 42 ARG HGy 1.0 . 5.50 597 570 A 47 GLU H A 46 LEU HBx 1.0 . 5.50 598 571 A 47 GLU H A 46 LEU HBy 1.0 . 5.50 599 572 A 8 LEU H A 8 LEU HG 1.0 . 5.50 600 573 A 19 ARG H A 19 ARG HGy 1.0 . 5.50 601 574 A 19 ARG H A 19 ARG HGx 1.0 . 5.50 602 575 A 13 ARG H A 8 LEU HBy 1.0 . 5.50 603 576 A 28 GLU H A 24 CYS HBy 1.0 . 3.77 604 577 A 31 PHE HZ A 29 GLU HBx 1.0 . 5.50 605 578 A 31 PHE HZ A 29 GLU HBy 1.0 . 5.50 606 579 A 49 ASN HD2x A 49 ASN HBy 1.0 . 3.91 607 580 A 45 LEU H A 44 ARG HBx 1.0 . 5.50 608 581 A 12 CYS H A 12 CYS HBx 1.0 . 3.61 609 582 A 59 THR H A 58 CYS HBy 1.0 . 4.62 610 583 A 61 LEU H A 60 ILE HG2% 1.0 . 4.55 611 584 A 61 LEU H A 61 LEU HDy% 1.0 . 5.00 612 585 A 32 HIS HE1 A 14 GLN HBx 1.0 . 5.50 613 586 A 31 PHE HD% A 24 CYS HBx 1.0 . 4.00 614 587 A 31 PHE HD% A 29 GLU HBy 1.0 . 5.50 615 588 A 31 PHE HD% A 11 ILE HD1% 1.0 . 4.40 616 589 A 60 ILE H A 54 ILE HG2% 1.0 . 4.96 617 590 A 36 VAL H A 33 GLY HAy 1.0 . 5.50 618 591 A 36 VAL H A 35 CYS HBx 1.0 . 3.53 619 592 A 36 VAL H A 38 ILE HB 1.0 . 5.14 620 593 A 36 VAL H A 36 VAL HGx% 1.0 . 3.55 621 594 A 36 VAL H A 35 CYS HBy 1.0 . 3.85 622 595 A 14 GLN HE2x A 14 GLN HGx 1.0 . 4.02 623 595 A 14 GLN HGy A 14 GLN HE2x 1.0 . 4.02 624 596 A 26 ARG HE A 26 ARG HBy 1.0 . 4.67 625 597 A 31 PHE HE% A 24 CYS HBy 1.0 . 3.28 626 598 A 31 PHE HE% A 29 GLU HBx 1.0 . 3.52 627 599 A 30 TRP HD1 A 30 TRP HBx 1.0 . 2.90 628 599 A 30 TRP HD1 A 30 TRP HBy 1.0 . 2.90 629 600 A 30 TRP HD1 A 3 MET HE% 1.0 . 4.27 630 601 A 20 PHE HE% A 43 GLY HAx 1.0 . 5.44 631 602 A 20 PHE HE% A 40 GLU HGx 1.0 . 4.52 632 602 A 20 PHE HE% A 40 GLU HGy 1.0 . 4.52 633 603 A 20 PHE HE% A 22 ILE HB 1.0 . 3.68 634 604 A 32 HIS HD2 A 21 MET HE% 1.0 . 4.29 635 605 A 7 ALA H A 6 ASN HBx 1.0 . 5.02 636 606 A 7 ALA H A 8 LEU HDy% 1.0 . 5.45 637 607 A 20 PHE HZ A 40 GLU HGx 1.0 . 5.49 638 607 A 20 PHE HZ A 40 GLU HGy 1.0 . 5.49 639 608 A 30 TRP HH2 A 23 CYS HBy 1.0 . 4.30 640 609 A 20 PHE HZ A 43 GLY HAx 1.0 . 4.36 641 610 A 20 PHE HZ A 22 ILE HB 1.0 . 3.90 642 611 A 20 PHE HZ A 22 ILE HD1% 1.0 . 3.86 643 612 A 57 ASN HD2x A 57 ASN HBx 1.0 . 3.66 644 613 A 57 ASN HD2x A 57 ASN HBy 1.0 . 3.75 645 614 A 57 ASN HD2x A 11 ILE HG2% 1.0 . 4.43 646 615 A 9 TYR HE% A 3 MET HE% 1.0 . 4.19 647 616 A 30 TRP HE3 A 30 TRP HBx 1.0 . 3.02 648 616 A 30 TRP HE3 A 30 TRP HBy 1.0 . 3.02 649 617 A 30 TRP HE3 A 21 MET HGy 1.0 . 4.94 650 618 A 30 TRP HE3 A 21 MET HBx 1.0 . 3.50 651 619 A 30 TRP HE3 A 21 MET HE% 1.0 . 3.99 652 620 A 14 GLN HE2y A 14 GLN HGx 1.0 . 4.02 653 620 A 14 GLN HGy A 14 GLN HE2y 1.0 . 4.02 654 621 A 53 TYR HD% A 38 ILE HG1x 1.0 . 4.36 655 621 A 53 TYR HD% A 38 ILE HG1y 1.0 . 4.36 656 622 A 49 ASN HD2y A 45 LEU HDx% 1.0 . 4.98 657 623 A 53 TYR HD% A 38 ILE HG2% 1.0 . 4.59 658 624 A 53 TYR HD% A 38 ILE HD1% 1.0 . 3.49 659 625 A 53 TYR HD% A 22 ILE HD1% 1.0 . 3.91 660 626 A 53 TYR HE% A 55 CYS HBx 1.0 . 4.05 661 627 A 53 TYR HE% A 55 CYS HBy 1.0 . 3.72 662 628 A 53 TYR HE% A 36 VAL HGx% 1.0 . 4.94 663 629 A 53 TYR HE% A 38 ILE HG2% 1.0 . 4.87 664 630 A 53 TYR HE% A 22 ILE HD1% 1.0 . 4.81 665 631 A 21 MET HA A 21 MET HGx 1.0 . 3.78 666 632 A 21 MET HA A 21 MET HGy 1.0 . 4.21 667 633 A 21 MET HA A 22 ILE HB 1.0 . 5.00 668 634 A 21 MET HA A 21 MET HE% 1.0 . 4.16 669 635 A 21 MET HA A 22 ILE HG2% 1.0 . 4.42 670 636 A 15 PRO HA A 8 LEU HA 1.0 . 4.11 671 637 A 15 PRO HA A 16 HIS HBy 1.0 . 4.83 672 638 A 15 PRO HA A 8 LEU HDy% 1.0 . 4.10 673 639 A 32 HIS HA A 21 MET HGx 1.0 . 3.56 674 640 A 32 HIS HA A 21 MET HGy 1.0 . 4.43 675 641 A 32 HIS HA A 21 MET HBy 1.0 . 4.36 676 642 A 32 HIS HA A 21 MET HBx 1.0 . 4.95 677 643 A 32 HIS HA A 21 MET HE% 1.0 . 4.16 678 644 A 14 GLN HA A 15 PRO HDy 1.0 . 2.77 679 645 A 14 GLN HA A 15 PRO HGy 1.0 . 4.70 680 646 A 14 GLN HA A 8 LEU HDx% 1.0 . 4.27 681 647 A 14 GLN HA A 15 PRO HDx 1.0 . 3.15 682 648 A 14 GLN HA A 14 GLN HGx 1.0 . 3.30 683 648 A 14 GLN HA A 14 GLN HGy 1.0 . 3.30 684 649 A 14 GLN HA A 15 PRO HGx 1.0 . 4.61 685 650 A 14 GLN HA A 8 LEU HDy% 1.0 . 3.15 686 651 A 4 ASP HA A 5 PRO HGy 1.0 . 4.66 687 652 A 5 PRO HDx A 4 ASP HA 1.0 . 3.18 688 653 A 5 PRO HDy A 4 ASP HA 1.0 . 3.24 689 654 A 4 ASP HA A 5 PRO HGx 1.0 . 4.66 690 655 A 7 ALA HB% A 4 ASP HA 1.0 . 4.81 691 656 A 8 LEU HDy% A 9 TYR HA 1.0 . 5.50 692 657 A 30 TRP HA A 23 CYS HBx 1.0 . 4.53 693 658 A 52 ASP HA A 52 ASP HBx 1.0 . 2.88 694 658 A 52 ASP HA A 52 ASP HBy 1.0 . 2.88 695 659 A 12 CYS HBy A 12 CYS HA 1.0 . 3.00 696 660 A 12 CYS HBx A 12 CYS HA 1.0 . 2.96 697 661 A 36 VAL HA A 56 PRO HGx 1.0 . 4.46 698 661 A 36 VAL HA A 56 PRO HGy 1.0 . 4.46 699 662 A 11 ILE HG1y A 12 CYS HA 1.0 . 4.57 700 663 A 54 ILE HA A 26 ARG HGx 1.0 . 5.50 701 663 A 54 ILE HA A 26 ARG HGy 1.0 . 5.50 702 664 A 11 ILE HG1x A 12 CYS HA 1.0 . 5.50 703 665 A 54 ILE HA A 54 ILE HG1y 1.0 . 3.73 704 666 A 54 ILE HA A 54 ILE HG1x 1.0 . 3.58 705 667 A 54 ILE HA A 54 ILE HD1% 1.0 . 4.00 706 668 A 54 ILE HA A 54 ILE HG2% 1.0 . 3.17 707 669 A 36 VAL HA A 36 VAL HB 1.0 . 2.87 708 670 A 29 GLU HA A 29 GLU HBy 1.0 . 2.94 709 671 A 11 ILE HD1% A 12 CYS HA 1.0 . 5.47 710 672 A 36 VAL HA A 11 ILE HD1% 1.0 . 5.50 711 673 A 36 VAL HA A 36 VAL HGx% 1.0 . 2.98 712 674 A 36 VAL HA A 36 VAL HGy% 1.0 . 3.66 713 675 A 31 PHE HA A 10 CYS HA 1.0 . 3.62 714 676 A 31 PHE HA A 10 CYS HBx 1.0 . 2.91 715 677 A 31 PHE HA A 21 MET HE% 1.0 . 4.07 716 678 A 57 ASN HBy A 57 ASN HA 1.0 . 3.00 717 679 A 26 ARG HA A 26 ARG HDx 1.0 . 4.45 718 680 A 26 ARG HA A 26 ARG HGx 1.0 . 3.28 719 680 A 26 ARG HA A 26 ARG HGy 1.0 . 3.28 720 681 A 26 ARG HA A 54 ILE HG2% 1.0 . 4.83 721 682 A 26 ARG HA A 54 ILE HD1% 1.0 . 4.48 722 683 A 53 TYR HA A 53 TYR HBx 1.0 . 2.90 723 683 A 53 TYR HA A 53 TYR HBy 1.0 . 2.90 724 684 A 53 TYR HA A 52 ASP HBx 1.0 . 5.47 725 684 A 53 TYR HA A 52 ASP HBy 1.0 . 5.47 726 685 A 53 TYR HA A 54 ILE HB 1.0 . 4.76 727 686 A 53 TYR HA A 54 ILE HG1x 1.0 . 5.08 728 687 A 16 HIS HA A 21 MET HE% 1.0 . 4.22 729 688 A 11 ILE HG2% A 11 ILE HA 1.0 . 3.12 730 689 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.52 731 690 A 22 ILE HA A 22 ILE HG1x 1.0 . 3.48 732 691 A 22 ILE HA A 22 ILE HB 1.0 . 3.00 733 692 A 22 ILE HA A 22 ILE HG1y 1.0 . 3.96 734 693 A 22 ILE HA A 22 ILE HD1% 1.0 . 3.84 735 694 A 22 ILE HA A 22 ILE HG2% 1.0 . 3.72 736 695 A 23 CYS HA A 23 CYS HG 1.0 . 4.24 737 696 A 51 GLU HA A 52 ASP HBx 1.0 . 5.06 738 696 A 51 GLU HA A 52 ASP HBy 1.0 . 5.06 739 697 A 51 GLU HA A 51 GLU HGx 1.0 . 4.00 740 697 A 51 GLU HA A 51 GLU HGy 1.0 . 4.00 741 698 A 55 CYS HA A 36 VAL HGx% 1.0 . 4.87 742 699 A 38 ILE HA A 38 ILE HG2% 1.0 . 3.35 743 700 A 38 ILE HA A 38 ILE HD1% 1.0 . 3.25 744 701 A 55 CYS HA A 56 PRO HDy 1.0 . 2.99 745 702 A 55 CYS HA A 56 PRO HDx 1.0 . 3.48 746 703 A 55 CYS HA A 24 CYS HBx 1.0 . 5.50 747 704 A 35 CYS HBy A 35 CYS HA 1.0 . 3.02 748 705 A 44 ARG HA A 44 ARG HGx 1.0 . 2.79 749 705 A 44 ARG HA A 44 ARG HGy 1.0 . 2.79 750 706 A 33 GLY HAy A 38 ILE HB 1.0 . 3.29 751 707 A 11 ILE HD1% A 35 CYS HA 1.0 . 5.03 752 708 A 33 GLY HAy A 36 VAL HGy% 1.0 . 3.69 753 709 A 33 GLY HAy A 38 ILE HG2% 1.0 . 4.02 754 710 A 33 GLY HAy A 22 ILE HD1% 1.0 . 5.50 755 711 A 33 GLY HAy A 22 ILE HG2% 1.0 . 4.68 756 712 A 60 ILE HG2% A 60 ILE HA 1.0 . 3.31 757 713 A 60 ILE HA A 60 ILE HD1% 1.0 . 3.93 758 714 A 59 THR HG2% A 60 ILE HA 1.0 . 3.89 759 715 A 28 GLU HA A 28 GLU HGy 1.0 . 3.80 760 716 A 28 GLU HA A 23 CYS HG 1.0 . 4.90 761 717 A 48 ARG HA A 48 ARG HDx 1.0 . 4.04 762 717 A 48 ARG HDy A 48 ARG HA 1.0 . 4.04 763 718 A 45 LEU HA A 45 LEU HDy% 1.0 . 4.32 764 719 A 46 LEU HA A 49 ASN HBy 1.0 . 4.80 765 720 A 45 LEU HA A 45 LEU HDx% 1.0 . 4.32 766 721 A 3 MET HA A 4 ASP HBx 1.0 . 4.65 767 722 A 46 LEU HA A 49 ASN HBx 1.0 . 4.80 768 723 A 41 ALA HB% A 42 ARG HA 1.0 . 5.50 769 724 A 38 ILE HD1% A 42 ARG HA 1.0 . 5.50 770 725 A 3 MET HA A 3 MET HE% 1.0 . 4.97 771 726 A 59 THR HB A 60 ILE HG2% 1.0 . 5.09 772 727 A 7 ALA HA A 8 LEU HDx% 1.0 . 5.50 773 728 A 59 THR HB A 54 ILE HD1% 1.0 . 5.49 774 729 A 59 THR HB A 54 ILE HG2% 1.0 . 4.13 775 730 A 7 ALA HA A 8 LEU HDy% 1.0 . 4.68 776 731 A 58 CYS HA A 26 ARG HGx 1.0 . 5.50 777 731 A 26 ARG HGy A 58 CYS HA 1.0 . 5.50 778 732 A 5 PRO HDx A 4 ASP HBx 1.0 . 4.62 779 733 A 5 PRO HDx A 4 ASP HBy 1.0 . 3.97 780 734 A 10 CYS HA A 9 TYR HBy 1.0 . 4.76 781 735 A 50 GLY HAx A 51 GLU HGx 1.0 . 4.72 782 735 A 50 GLY HAy A 51 GLU HGx 1.0 . 4.72 783 735 A 51 GLU HGy A 50 GLY HAx 1.0 . 4.72 784 735 A 50 GLY HAy A 51 GLU HGy 1.0 . 4.72 785 736 A 41 ALA HA A 44 ARG HBx 1.0 . 3.86 786 737 A 13 ARG HA A 13 ARG HDy 1.0 . 3.91 787 738 A 13 ARG HA A 13 ARG HDx 1.0 . 3.91 788 739 A 13 ARG HA A 14 GLN HGx 1.0 . 4.94 789 739 A 13 ARG HA A 14 GLN HGy 1.0 . 4.94 790 740 A 13 ARG HA A 8 LEU HBy 1.0 . 3.85 791 741 A 8 LEU HA A 8 LEU HDx% 1.0 . 3.84 792 742 A 54 ILE HD1% A 59 THR HA 1.0 . 4.62 793 743 A 8 LEU HA A 8 LEU HDy% 1.0 . 2.74 794 744 A 59 THR HG2% A 59 THR HA 1.0 . 3.27 795 745 A 43 GLY HAy A 40 GLU HA 1.0 . 4.41 796 746 A 56 PRO HDy A 55 CYS HBy 1.0 . 4.37 797 747 A 56 PRO HDy A 36 VAL HGx% 1.0 . 3.92 798 748 A 43 GLY HAy A 22 ILE HG2% 1.0 . 5.50 799 749 A 56 PRO HDy A 22 ILE HG2% 1.0 . 5.50 800 750 A 15 PRO HDy A 14 GLN HBy 1.0 . 3.70 801 751 A 24 CYS HBy A 55 CYS HBx 1.0 . 5.46 802 752 A 24 CYS HBy A 55 CYS HBy 1.0 . 4.08 803 753 A 33 GLY HAx A 38 ILE HB 1.0 . 3.40 804 754 A 33 GLY HAx A 36 VAL HGy% 1.0 . 3.11 805 755 A 15 PRO HDx A 14 GLN HGx 1.0 . 3.88 806 755 A 15 PRO HDx A 14 GLN HGy 1.0 . 3.88 807 756 A 15 PRO HDx A 8 LEU HDy% 1.0 . 4.06 808 757 A 35 CYS HBx A 36 VAL HGy% 1.0 . 5.11 809 758 A 20 PHE HBx A 40 GLU HGx 1.0 . 4.38 810 758 A 20 PHE HBx A 40 GLU HGy 1.0 . 4.38 811 759 A 31 PHE HBy A 10 CYS HBx 1.0 . 5.50 812 760 A 31 PHE HBy A 55 CYS HBx 1.0 . 5.50 813 761 A 31 PHE HBy A 11 ILE HG2% 1.0 . 5.50 814 762 A 31 PHE HBy A 36 VAL HGx% 1.0 . 3.27 815 763 A 31 PHE HBy A 36 VAL HGy% 1.0 . 3.44 816 764 A 26 ARG HBy A 26 ARG HDy 1.0 . 3.92 817 765 A 54 ILE HD1% A 26 ARG HDy 1.0 . 4.97 818 766 A 16 HIS HBx A 21 MET HGx 1.0 . 5.28 819 767 A 48 ARG HBx A 48 ARG HDx 1.0 . 3.21 820 767 A 48 ARG HDy A 48 ARG HBx 1.0 . 3.21 821 767 A 48 ARG HDy A 48 ARG HBy 1.0 . 3.21 822 767 A 48 ARG HBy A 48 ARG HDx 1.0 . 3.21 823 768 A 16 HIS HBx A 21 MET HBx 1.0 . 4.17 824 769 A 16 HIS HBx A 21 MET HE% 1.0 . 4.28 825 770 A 16 HIS HBx A 3 MET HE% 1.0 . 4.77 826 771 A 26 ARG HBy A 26 ARG HDx 1.0 . 3.92 827 772 A 35 CYS HBy A 36 VAL HGy% 1.0 . 5.50 828 773 A 54 ILE HD1% A 26 ARG HDx 1.0 . 4.97 829 774 A 56 PRO HDx A 55 CYS HBx 1.0 . 2.82 830 775 A 56 PRO HDx A 55 CYS HBy 1.0 . 3.58 831 776 A 56 PRO HDx A 36 VAL HGx% 1.0 . 4.15 832 777 A 51 GLU HGy A 49 ASN HBx 1.0 . 3.82 833 777 A 49 ASN HBx A 51 GLU HGx 1.0 . 3.82 834 778 A 22 ILE HB A 53 TYR HBx 1.0 . 5.50 835 778 A 53 TYR HBy A 22 ILE HB 1.0 . 5.50 836 779 A 53 TYR HBy A 46 LEU HDy% 1.0 . 4.55 837 779 A 46 LEU HDy% A 53 TYR HBx 1.0 . 4.55 838 780 A 53 TYR HBy A 46 LEU HDx% 1.0 . 4.55 839 780 A 46 LEU HDx% A 53 TYR HBx 1.0 . 4.55 840 781 A 22 ILE HD1% A 53 TYR HBx 1.0 . 3.29 841 781 A 53 TYR HBy A 22 ILE HD1% 1.0 . 3.29 842 782 A 24 CYS HBx A 55 CYS HBy 1.0 . 2.83 843 783 A 58 CYS HBx A 54 ILE HB 1.0 . 5.31 844 784 A 58 CYS HBx A 54 ILE HD1% 1.0 . 4.68 845 785 A 58 CYS HBy A 26 ARG HGx 1.0 . 3.75 846 785 A 26 ARG HGy A 58 CYS HBy 1.0 . 3.75 847 786 A 5 PRO HDy A 4 ASP HBy 1.0 . 4.97 848 787 A 40 GLU HA A 40 GLU HGx 1.0 . 3.29 849 787 A 40 GLU HA A 40 GLU HGy 1.0 . 3.29 850 788 A 56 PRO HDy A 36 VAL HB 1.0 . 4.29 851 789 A 31 PHE HBx A 36 VAL HGx% 1.0 . 3.14 852 790 A 31 PHE HBx A 22 ILE HD1% 1.0 . 5.47 853 791 A 36 VAL HB A 22 ILE HD1% 1.0 . 5.50 854 792 A 26 ARG HA A 25 ASP HBy 1.0 . 4.22 855 793 A 12 CYS HBx A 14 GLN HGx 1.0 . 4.10 856 793 A 12 CYS HBx A 14 GLN HGy 1.0 . 4.10 857 794 A 54 ILE HG1y A 52 ASP HBx 1.0 . 4.15 858 794 A 52 ASP HBy A 54 ILE HG1y 1.0 . 4.15 859 795 A 8 LEU HDy% A 14 GLN HGx 1.0 . 4.25 860 795 A 14 GLN HGy A 8 LEU HDy% 1.0 . 4.25 861 796 A 3 MET HE% A 30 TRP HBx 1.0 . 3.89 862 796 A 30 TRP HBy A 3 MET HE% 1.0 . 3.89 863 797 A 24 CYS HBx A 55 CYS HBx 1.0 . 4.49 864 798 A 10 CYS HBx A 21 MET HE% 1.0 . 3.22 865 799 A 21 MET HE% A 30 TRP HBx 1.0 . 3.42 866 799 A 30 TRP HBy A 21 MET HE% 1.0 . 3.42 867 800 A 8 LEU HDy% A 13 ARG HBy 1.0 . 4.99 868 801 A 15 PRO HDx A 14 GLN HBy 1.0 . 3.01 869 802 A 21 MET HGy A 21 MET HE% 1.0 . 3.65 870 803 A 21 MET HGy A 3 MET HE% 1.0 . 4.87 871 804 A 14 GLN HBy A 8 LEU HDy% 1.0 . 4.48 872 805 A 51 GLU HGy A 49 ASN HBy 1.0 . 3.82 873 805 A 49 ASN HBy A 51 GLU HGx 1.0 . 3.82 874 806 A 11 ILE HB A 11 ILE HD1% 1.0 . 3.39 875 807 A 26 ARG HBy A 54 ILE HD1% 1.0 . 4.55 876 808 A 15 PRO HDx A 14 GLN HBx 1.0 . 3.85 877 809 A 26 ARG HBx A 54 ILE HG2% 1.0 . 4.15 878 810 A 9 TYR HBx A 21 MET HE% 1.0 . 2.94 879 811 A 26 ARG HBx A 54 ILE HD1% 1.0 . 3.71 880 812 A 28 GLU HA A 28 GLU HGx 1.0 . 3.80 881 813 A 8 LEU HDy% A 15 PRO HGy 1.0 . 4.59 882 814 A 22 ILE HD1% A 46 LEU HBy 1.0 . 4.60 883 815 A 11 ILE HD1% A 56 PRO HGx 1.0 . 5.21 884 815 A 56 PRO HGy A 11 ILE HD1% 1.0 . 5.21 885 816 A 14 GLN HBy A 15 PRO HGx 1.0 . 3.97 886 817 A 21 MET HBy A 21 MET HE% 1.0 . 2.85 887 818 A 57 ASN HBx A 56 PRO HBy 1.0 . 5.27 888 819 A 44 ARG HBx A 44 ARG HGx 1.0 . 2.55 889 819 A 44 ARG HBx A 44 ARG HGy 1.0 . 2.55 890 820 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.89 891 821 A 54 ILE HG1x A 26 ARG HGx 1.0 . 3.33 892 821 A 26 ARG HGy A 54 ILE HG1x 1.0 . 3.33 893 822 A 58 CYS HBx A 26 ARG HGx 1.0 . 5.22 894 822 A 58 CYS HBx A 26 ARG HGy 1.0 . 5.22 895 823 A 35 CYS HBx A 11 ILE HG1x 1.0 . 5.10 896 824 A 11 ILE HG1x A 11 ILE HG2% 1.0 . 3.91 897 825 A 7 ALA HA A 8 LEU HG 1.0 . 4.32 898 826 A 8 LEU HDx% A 8 LEU HBy 1.0 . 2.96 899 827 A 54 ILE HB A 54 ILE HD1% 1.0 . 3.50 900 828 A 40 GLU HA A 41 ALA HB% 1.0 . 5.44 901 829 A 41 ALA HB% A 40 GLU HGx 1.0 . 5.50 902 829 A 40 GLU HGy A 41 ALA HB% 1.0 . 5.50 903 830 A 44 ARG HBx A 41 ALA HB% 1.0 . 5.50 904 831 A 35 CYS HBy A 11 ILE HG2% 1.0 . 4.83 905 832 A 56 PRO HDx A 11 ILE HG2% 1.0 . 5.49 906 833 A 11 ILE HG1y A 11 ILE HG2% 1.0 . 3.98 907 834 A 11 ILE HG2% A 11 ILE HD1% 1.0 . 3.64 908 835 A 22 ILE HG1x A 53 TYR HBx 1.0 . 3.99 909 835 A 53 TYR HBy A 22 ILE HG1x 1.0 . 3.99 910 836 A 36 VAL HB A 38 ILE HG1x 1.0 . 4.18 911 836 A 36 VAL HB A 38 ILE HG1y 1.0 . 4.18 912 837 A 33 GLY HAx A 38 ILE HG1x 1.0 . 4.07 913 837 A 33 GLY HAx A 38 ILE HG1y 1.0 . 4.07 914 838 A 38 ILE HB A 38 ILE HG1x 1.0 . 2.86 915 838 A 38 ILE HB A 38 ILE HG1y 1.0 . 2.86 916 839 A 36 VAL HGy% A 38 ILE HG1x 1.0 . 3.20 917 839 A 38 ILE HG1y A 36 VAL HGy% 1.0 . 3.20 918 840 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 3.66 919 840 A 38 ILE HG1y A 38 ILE HG2% 1.0 . 3.66 920 841 A 4 ASP HBx A 7 ALA HB% 1.0 . 3.04 921 842 A 4 ASP HBy A 7 ALA HB% 1.0 . 3.62 922 843 A 35 CYS HBx A 11 ILE HD1% 1.0 . 4.42 923 844 A 12 CYS HBy A 11 ILE HD1% 1.0 . 5.35 924 845 A 35 CYS HBy A 11 ILE HD1% 1.0 . 3.59 925 846 A 54 ILE HG1x A 25 ASP HBx 1.0 . 5.32 926 847 A 54 ILE HG1x A 52 ASP HBx 1.0 . 4.45 927 847 A 52 ASP HBy A 54 ILE HG1x 1.0 . 4.45 928 848 A 61 LEU HA A 61 LEU HDx% 1.0 . 4.68 929 849 A 35 CYS HBx A 36 VAL HGx% 1.0 . 3.53 930 850 A 35 CYS HBy A 36 VAL HGx% 1.0 . 4.01 931 851 A 56 PRO HDy A 36 VAL HGy% 1.0 . 4.09 932 852 A 38 ILE HB A 36 VAL HGy% 1.0 . 2.79 933 853 A 38 ILE HG2% A 22 ILE HD1% 1.0 . 3.23 934 854 A 36 VAL HGy% A 22 ILE HG2% 1.0 . 3.06 935 855 A 13 ARG HA A 8 LEU HDx% 1.0 . 4.75 936 856 A 43 GLY HAx A 38 ILE HG2% 1.0 . 3.83 937 857 A 54 ILE HD1% A 52 ASP HBx 1.0 . 4.42 938 857 A 52 ASP HBy A 54 ILE HD1% 1.0 . 4.42 939 858 A 25 ASP HBy A 54 ILE HD1% 1.0 . 5.40 940 859 A 16 HIS HBy A 3 MET HE% 1.0 . 4.92 941 860 A 58 CYS HBx A 54 ILE HG2% 1.0 . 2.84 942 861 A 54 ILE HG2% A 58 CYS HBy 1.0 . 3.22 943 862 A 26 ARG HBy A 54 ILE HG2% 1.0 . 4.03 944 863 A 54 ILE HG2% A 26 ARG HGx 1.0 . 2.98 945 863 A 26 ARG HGy A 54 ILE HG2% 1.0 . 2.98 946 864 A 59 THR HG2% A 54 ILE HG2% 1.0 . 4.02 947 865 A 15 PRO HDy A 8 LEU HDy% 1.0 . 3.20 948 866 A 22 ILE HG1y A 22 ILE HG2% 1.0 . 3.56 949 867 A 8 LEU HDy% A 13 ARG HBx 1.0 . 4.99 950 868 A 8 LEU HDy% A 8 LEU HBy 1.0 . 2.76 951 869 A 43 GLY HAy A 22 ILE HD1% 1.0 . 4.58 952 870 A 43 GLY HAx A 22 ILE HD1% 1.0 . 4.42 953 871 A 38 ILE HB A 22 ILE HD1% 1.0 . 4.13 954 872 A 22 ILE HD1% A 46 LEU HBx 1.0 . 4.60 955 873 A 22 ILE HB A 22 ILE HD1% 1.0 . 3.07 956 874 A 38 ILE HB A 22 ILE HG2% 1.0 . 3.94 957 875 A 33 GLY HAx A 22 ILE HG2% 1.0 . 3.63 958 876 A 31 PHE HBy A 22 ILE HG2% 1.0 . 3.86 959 877 A 22 ILE HG2% A 53 TYR HBx 1.0 . 4.31 960 877 A 53 TYR HBy A 22 ILE HG2% 1.0 . 4.31 961 878 A 31 PHE HBx A 22 ILE HG2% 1.0 . 3.30 962 879 A 38 ILE HD1% A 22 ILE HG2% 1.0 . 4.74 963 880 A 22 ILE HD1% A 22 ILE HG2% 1.0 . 3.28 964 881 A 23 CYS HBx A 23 CYS HG 1.0 . 3.30 965 882 A 25 ASP H A 25 ASP HBx 1.0 . 3.42 966 883 A 6 ASN H A 4 ASP HA 1.0 . 5.19 967 884 A 49 ASN H A 49 ASN HBy 1.0 . 3.59 968 885 A 17 ASN H A 16 HIS HBy 1.0 . 4.11 969 886 A 9 TYR H A 9 TYR HBy 1.0 . 3.97 970 887 A 54 ILE H A 53 TYR HBx 1.0 . 3.70 971 887 A 54 ILE H A 53 TYR HBy 1.0 . 3.70 972 888 A 9 TYR HE% A 4 ASP HBx 1.0 . 5.07 973 889 A 32 HIS HE1 A 14 GLN HGx 1.0 . 4.08 974 889 A 32 HIS HE1 A 14 GLN HGy 1.0 . 4.08 975 890 A 20 PHE HE% A 40 GLU HA 1.0 . 3.85 976 891 A 7 ALA H A 6 ASN HBy 1.0 . 5.02 977 892 A 7 ALA H A 4 ASP HBx 1.0 . 4.75 978 893 A 45 LEU H A 45 LEU HG 1.0 . 5.50 979 894 A 49 ASN HD2x A 45 LEU HG 1.0 . 5.50 980 895 A 45 LEU H A 44 ARG HBy 1.0 . 5.50 981 896 A 56 PRO HDy A 55 CYS HBx 1.0 . 3.40 982 897 A 58 CYS H A 58 CYS HBx 1.0 . 2.67 983 898 A 59 THR H A 57 ASN HA 1.0 . 5.50 984 899 A 23 CYS H A 22 ILE HA 1.0 . 2.89 985 900 A 38 ILE H A 34 ASP HA 1.0 . 5.14 986 901 A 38 ILE HA A 38 ILE HG1x 1.0 . 4.22 987 901 A 38 ILE HA A 38 ILE HG1y 1.0 . 4.22 988 902 A 39 SER H A 38 ILE HD1% 1.0 . 3.81 989 903 A 41 ALA H A 40 GLU HGx 1.0 . 5.50 990 903 A 41 ALA H A 40 GLU HGy 1.0 . 5.50 991 904 A 30 TRP HE1 A 30 TRP HBx 1.0 . 4.85 992 904 A 30 TRP HE1 A 30 TRP HBy 1.0 . 4.85 993 905 A 61 LEU H A 61 LEU HDx% 1.0 . 5.00 994 906 A 61 LEU HA A 61 LEU HDy% 1.0 . 4.68 995 907 A 60 ILE HB A 60 ILE HA 1.0 . 2.55 996 908 A 36 VAL H A 31 PHE HBy 1.0 . 4.33 997 909 A 35 CYS H A 36 VAL HGx% 1.0 . 5.12 998 910 A 37 GLY H A 36 VAL HGx% 1.0 . 5.34 999 911 A 54 ILE HD1% A 25 ASP HBx 1.0 . 4.97 1000 912 A 22 ILE HG1x A 22 ILE HG2% 1.0 . 2.46 1001 913 A 11 ILE HG1x A 11 ILE HA 1.0 . 3.70 1002 914 A 54 ILE HG1y A 54 ILE HG2% 1.0 . 3.24 1003 915 A 54 ILE H A 54 ILE HD1% 1.0 . 4.48 1004 916 A 33 GLY H A 21 MET HGx 1.0 . 4.94 1005 917 A 31 PHE HD% A 55 CYS HBy 1.0 . 5.50 1006 918 A 12 CYS HBy A 14 GLN HGx 1.0 . 4.72 1007 918 A 12 CYS HBy A 14 GLN HGy 1.0 . 4.72 1008 919 A 2 SER HA A 2 SER HBx 1.0 . 2.98 1009 920 A 2 SER HA A 2 SER HBy 1.0 . 2.98 1010 921 A 16 HIS HBx A 21 MET HGy 1.0 . 4.04 1011 922 A 31 PHE H A 21 MET HBy 1.0 . 4.01 1012 923 A 31 PHE H A 23 CYS HA 1.0 . 4.10 1013 924 A 26 ARG HA A 26 ARG HDy 1.0 . 4.45 1014 925 A 3 MET H A 3 MET HGx 1.0 . 4.86 1015 926 A 3 MET H A 3 MET HGy 1.0 . 4.86 1016 927 A 4 ASP H A 3 MET HGx 1.0 . 4.67 1017 928 A 4 ASP H A 3 MET HGy 1.0 . 4.67 1018 929 A 9 TYR H A 8 LEU HA 1.0 . 2.78 1019 930 A 9 TYR H A 8 LEU HDy% 1.0 . 3.38 1020 931 A 9 TYR H A 8 LEU HBy 1.0 . 5.50 1021 932 A 54 ILE HG2% A 59 THR HA 1.0 . 3.12 1022 933 A 47 GLU H A 44 ARG HA 1.0 . 5.50 1023 934 A 10 CYS H A 29 GLU HBy 1.0 . 5.50 1024 935 A 46 LEU HA A 46 LEU HDx% 1.0 . 3.87 1025 936 A 46 LEU HA A 46 LEU HDy% 1.0 . 3.87 1026 937 A 47 GLU H A 46 LEU HG 1.0 . 5.50 1027 938 A 14 GLN H A 21 MET HE% 1.0 . 5.50 1028 939 A 47 GLU H A 46 LEU HDx% 1.0 . 5.40 1029 940 A 41 ALA H A 39 SER HBx 1.0 . 3.70 1030 941 A 14 GLN H A 13 ARG HBx 1.0 . 5.50 1031 942 A 13 ARG H A 12 CYS HBy 1.0 . 5.23 1032 943 A 57 ASN HD2y A 55 CYS HBx 1.0 . 5.50 1033 944 A 10 CYS H A 10 CYS HBx 1.0 . 3.67 1034 945 A 54 ILE HD1% A 26 ARG HGx 1.0 . 3.62 1035 945 A 26 ARG HGy A 54 ILE HD1% 1.0 . 3.62 1036 946 A 49 ASN H A 48 ARG HBx 1.0 . 5.50 1037 946 A 49 ASN H A 48 ARG HBy 1.0 . 5.50 1038 947 A 31 PHE HE% A 55 CYS HBx 1.0 . 5.50 1039 948 A 7 ALA H A 5 PRO HA 1.0 . 4.24 1040 949 A 24 CYS H A 53 TYR HE% 1.0 . 5.50 1041 950 A 38 ILE H A 37 GLY H 1.0 . 3.18 1042 951 A 10 CYS H A 10 CYS HBy 1.0 . 2.74 1043 952 A 33 GLY H A 20 PHE HBy 1.0 . 4.84 1044 953 A 31 PHE H A 22 ILE HG2% 1.0 . 3.91 1045 954 A 22 ILE H A 21 MET HE% 1.0 . 4.88 1046 955 A 31 PHE H A 36 VAL HGy% 1.0 . 5.50 1047 956 A 31 PHE HE% A 11 ILE HG1x 1.0 . 4.96 1048 957 A 10 CYS H A 9 TYR HD% 1.0 . 3.84 1049 958 A 52 ASP HA A 25 ASP HBx 1.0 . 4.29 1050 959 A 55 CYS H A 53 TYR HE% 1.0 . 4.81 1051 960 A 3 MET H A 2 SER HBx 1.0 . 4.25 1052 961 A 2 SER HA A 2 SER HBy 1.0 . 2.56 1053 961 A 2 SER HA A 2 SER HBx 1.0 . 2.56 1054 962 A 3 MET H A 2 SER HBy 1.0 . 3.69 1055 962 A 3 MET H A 2 SER HBx 1.0 . 3.69 1056 963 A 3 MET H A 3 MET HBy 1.0 . 3.34 1057 963 A 3 MET H A 3 MET HBx 1.0 . 3.34 1058 964 A 3 MET H A 3 MET HGy 1.0 . 4.26 1059 964 A 3 MET H A 3 MET HGx 1.0 . 4.26 1060 965 A 3 MET HA A 3 MET HGy 1.0 . 3.40 1061 965 A 3 MET HA A 3 MET HGx 1.0 . 3.40 1062 966 A 3 MET HE% A 3 MET HBy 1.0 . 4.04 1063 966 A 3 MET HE% A 3 MET HBx 1.0 . 4.04 1064 967 A 4 ASP H A 3 MET HBy 1.0 . 3.74 1065 967 A 4 ASP H A 3 MET HBx 1.0 . 3.74 1066 968 A 30 TRP HD1 A 3 MET HBy 1.0 . 3.59 1067 968 A 30 TRP HD1 A 3 MET HBx 1.0 . 3.59 1068 969 A 30 TRP HE1 A 3 MET HBy 1.0 . 5.34 1069 969 A 30 TRP HE1 A 3 MET HBx 1.0 . 5.34 1070 970 A 30 TRP HZ2 A 3 MET HBy 1.0 . 4.72 1071 970 A 30 TRP HZ2 A 3 MET HBx 1.0 . 4.72 1072 971 A 4 ASP H A 3 MET HGy 1.0 . 3.81 1073 971 A 4 ASP H A 3 MET HGx 1.0 . 3.81 1074 972 A 30 TRP HE3 A 3 MET HGy 1.0 . 5.34 1075 972 A 30 TRP HE3 A 3 MET HGx 1.0 . 5.34 1076 973 A 30 TRP HE1 A 3 MET HGy 1.0 . 4.39 1077 973 A 30 TRP HE1 A 3 MET HGx 1.0 . 4.39 1078 974 A 6 ASN H A 5 PRO HBy 1.0 . 4.06 1079 974 A 6 ASN H A 5 PRO HBx 1.0 . 4.06 1080 975 A 6 ASN H A 5 PRO HGy 1.0 . 3.74 1081 975 A 6 ASN H A 5 PRO HGx 1.0 . 3.74 1082 976 A 5 PRO HGy A 6 ASN HD2y 1.0 . 4.20 1083 976 A 5 PRO HGx A 6 ASN HD2y 1.0 . 4.20 1084 976 A 6 ASN HD2x A 5 PRO HGy 1.0 . 4.20 1085 976 A 5 PRO HGx A 6 ASN HD2x 1.0 . 4.20 1086 977 A 5 PRO HDx A 6 ASN HD2y 1.0 . 4.10 1087 977 A 5 PRO HDx A 6 ASN HD2x 1.0 . 4.10 1088 978 A 6 ASN H A 6 ASN HBy 1.0 . 3.02 1089 978 A 6 ASN H A 6 ASN HBx 1.0 . 3.02 1090 979 A 6 ASN H A 6 ASN HD2y 1.0 . 3.93 1091 979 A 6 ASN H A 6 ASN HD2x 1.0 . 3.93 1092 980 A 6 ASN HBy A 6 ASN HD2y 1.0 . 2.96 1093 980 A 6 ASN HBx A 6 ASN HD2y 1.0 . 2.96 1094 980 A 6 ASN HD2x A 6 ASN HBy 1.0 . 2.96 1095 980 A 6 ASN HD2x A 6 ASN HBx 1.0 . 2.96 1096 981 A 7 ALA H A 6 ASN HBy 1.0 . 4.37 1097 981 A 7 ALA H A 6 ASN HBx 1.0 . 4.37 1098 982 A 8 LEU HBx A 13 ARG HBy 1.0 . 4.84 1099 982 A 8 LEU HBx A 13 ARG HBx 1.0 . 4.84 1100 983 A 8 LEU HDx% A 13 ARG HBy 1.0 . 4.76 1101 983 A 8 LEU HDx% A 13 ARG HBx 1.0 . 4.76 1102 984 A 8 LEU HDx% A 13 ARG HGx 1.0 . 3.36 1103 984 A 8 LEU HDx% A 13 ARG HGy 1.0 . 3.36 1104 985 A 8 LEU HDx% A 13 ARG HDy 1.0 . 5.18 1105 985 A 8 LEU HDx% A 13 ARG HDx 1.0 . 5.18 1106 986 A 8 LEU HDy% A 13 ARG HBy 1.0 . 4.22 1107 986 A 8 LEU HDy% A 13 ARG HBx 1.0 . 4.22 1108 987 A 8 LEU HDy% A 15 PRO HBx 1.0 . 4.55 1109 987 A 8 LEU HDy% A 15 PRO HBy 1.0 . 4.55 1110 988 A 12 CYS H A 13 ARG HDy 1.0 . 5.34 1111 988 A 12 CYS H A 13 ARG HDx 1.0 . 5.34 1112 989 A 13 ARG H A 13 ARG HGx 1.0 . 5.34 1113 989 A 13 ARG H A 13 ARG HGy 1.0 . 5.34 1114 990 A 13 ARG H A 13 ARG HDy 1.0 . 3.26 1115 990 A 13 ARG H A 13 ARG HDx 1.0 . 3.26 1116 991 A 13 ARG HA A 13 ARG HGx 1.0 . 3.49 1117 991 A 13 ARG HA A 13 ARG HGy 1.0 . 3.49 1118 992 A 13 ARG HA A 13 ARG HDy 1.0 . 3.20 1119 992 A 13 ARG HA A 13 ARG HDx 1.0 . 3.20 1120 993 A 13 ARG HBy A 13 ARG HGx 1.0 . 2.37 1121 993 A 13 ARG HBx A 13 ARG HGx 1.0 . 2.37 1122 993 A 13 ARG HGy A 13 ARG HBy 1.0 . 2.37 1123 993 A 13 ARG HBx A 13 ARG HGy 1.0 . 2.37 1124 994 A 13 ARG HBx A 13 ARG HDy 1.0 . 2.86 1125 994 A 13 ARG HBy A 13 ARG HDy 1.0 . 2.86 1126 994 A 13 ARG HDx A 13 ARG HBy 1.0 . 2.86 1127 994 A 13 ARG HBx A 13 ARG HDx 1.0 . 2.86 1128 995 A 13 ARG HE A 13 ARG HGx 1.0 . 3.27 1129 995 A 13 ARG HE A 13 ARG HGy 1.0 . 3.27 1130 996 A 14 GLN HA A 14 GLN HE2y 1.0 . 4.33 1131 996 A 14 GLN HA A 14 GLN HE2x 1.0 . 4.33 1132 997 A 14 GLN HE2y A 14 GLN HGx 1.0 . 3.29 1133 997 A 14 GLN HGy A 14 GLN HE2y 1.0 . 3.29 1134 997 A 14 GLN HGy A 14 GLN HE2x 1.0 . 3.29 1135 997 A 14 GLN HE2x A 14 GLN HGx 1.0 . 3.29 1136 998 A 17 ASN H A 15 PRO HBx 1.0 . 3.50 1137 998 A 17 ASN H A 15 PRO HBy 1.0 . 3.50 1138 999 A 15 PRO HBy A 17 ASN HD2y 1.0 . 3.75 1139 999 A 15 PRO HBx A 17 ASN HD2y 1.0 . 3.75 1140 999 A 17 ASN HD2x A 15 PRO HBx 1.0 . 3.75 1141 999 A 15 PRO HBy A 17 ASN HD2x 1.0 . 3.75 1142 1000 A 15 PRO HGx A 17 ASN HD2y 1.0 . 4.44 1143 1000 A 15 PRO HGx A 17 ASN HD2x 1.0 . 4.44 1144 1001 A 15 PRO HGy A 17 ASN HD2y 1.0 . 4.87 1145 1001 A 15 PRO HGy A 17 ASN HD2x 1.0 . 4.87 1146 1002 A 15 PRO HDx A 17 ASN HD2y 1.0 . 4.27 1147 1002 A 15 PRO HDx A 17 ASN HD2x 1.0 . 4.27 1148 1003 A 17 ASN HA A 17 ASN HD2y 1.0 . 4.94 1149 1003 A 17 ASN HA A 17 ASN HD2x 1.0 . 4.94 1150 1004 A 17 ASN HBy A 17 ASN HD2y 1.0 . 3.07 1151 1004 A 17 ASN HBx A 17 ASN HD2y 1.0 . 3.07 1152 1004 A 17 ASN HD2x A 17 ASN HBy 1.0 . 3.07 1153 1004 A 17 ASN HD2x A 17 ASN HBx 1.0 . 3.07 1154 1005 A 18 ASN H A 18 ASN HBx 1.0 . 3.61 1155 1005 A 18 ASN H A 18 ASN HBy 1.0 . 3.61 1156 1006 A 18 ASN HA A 18 ASN HD2y 1.0 . 3.94 1157 1006 A 18 ASN HA A 18 ASN HD2x 1.0 . 3.94 1158 1007 A 18 ASN HBx A 18 ASN HD2y 1.0 . 3.07 1159 1007 A 18 ASN HBy A 18 ASN HD2y 1.0 . 3.07 1160 1007 A 18 ASN HD2x A 18 ASN HBx 1.0 . 3.07 1161 1007 A 18 ASN HBy A 18 ASN HD2x 1.0 . 3.07 1162 1008 A 19 ARG H A 18 ASN HBx 1.0 . 4.15 1163 1008 A 19 ARG H A 18 ASN HBy 1.0 . 4.15 1164 1009 A 18 ASN HBy A 19 ARG HGx 1.0 . 3.85 1165 1009 A 18 ASN HBx A 19 ARG HGx 1.0 . 3.85 1166 1009 A 19 ARG HGy A 18 ASN HBx 1.0 . 3.85 1167 1009 A 18 ASN HBy A 19 ARG HGy 1.0 . 3.85 1168 1010 A 19 ARG H A 19 ARG HBy 1.0 . 3.54 1169 1010 A 19 ARG H A 19 ARG HBx 1.0 . 3.54 1170 1011 A 19 ARG H A 19 ARG HDx 1.0 . 4.22 1171 1011 A 19 ARG H A 19 ARG HDy 1.0 . 4.22 1172 1012 A 19 ARG HBx A 19 ARG HDx 1.0 . 3.23 1173 1012 A 19 ARG HBy A 19 ARG HDx 1.0 . 3.23 1174 1012 A 19 ARG HDy A 19 ARG HBy 1.0 . 3.23 1175 1012 A 19 ARG HBx A 19 ARG HDy 1.0 . 3.23 1176 1013 A 19 ARG HE A 19 ARG HBy 1.0 . 3.41 1177 1013 A 19 ARG HE A 19 ARG HBx 1.0 . 3.41 1178 1014 A 20 PHE H A 19 ARG HBy 1.0 . 3.23 1179 1014 A 20 PHE H A 19 ARG HBx 1.0 . 3.23 1180 1015 A 32 HIS HBy A 19 ARG HBy 1.0 . 5.34 1181 1015 A 32 HIS HBy A 19 ARG HBx 1.0 . 5.34 1182 1016 A 32 HIS HD2 A 19 ARG HBy 1.0 . 4.53 1183 1016 A 32 HIS HD2 A 19 ARG HBx 1.0 . 4.53 1184 1017 A 19 ARG HDy A 19 ARG HGx 1.0 . 2.35 1185 1017 A 19 ARG HDx A 19 ARG HGx 1.0 . 2.35 1186 1017 A 19 ARG HGy A 19 ARG HDx 1.0 . 2.35 1187 1017 A 19 ARG HGy A 19 ARG HDy 1.0 . 2.35 1188 1018 A 19 ARG HE A 19 ARG HGx 1.0 . 3.37 1189 1018 A 19 ARG HE A 19 ARG HGy 1.0 . 3.37 1190 1019 A 20 PHE H A 19 ARG HGx 1.0 . 3.94 1191 1019 A 20 PHE H A 19 ARG HGy 1.0 . 3.94 1192 1020 A 32 HIS HD2 A 19 ARG HDx 1.0 . 4.53 1193 1020 A 32 HIS HD2 A 19 ARG HDy 1.0 . 4.53 1194 1021 A 32 HIS HE2 A 19 ARG HDx 1.0 . 4.87 1195 1021 A 32 HIS HE2 A 19 ARG HDy 1.0 . 4.87 1196 1022 A 20 PHE HBx A 40 GLU HBx 1.0 . 4.01 1197 1022 A 20 PHE HBx A 40 GLU HBy 1.0 . 4.01 1198 1023 A 20 PHE HBy A 40 GLU HBx 1.0 . 5.04 1199 1023 A 20 PHE HBy A 40 GLU HBy 1.0 . 5.04 1200 1024 A 20 PHE HD% A 40 GLU HBx 1.0 . 4.16 1201 1024 A 20 PHE HD% A 40 GLU HBy 1.0 . 4.16 1202 1025 A 20 PHE HE% A 40 GLU HBx 1.0 . 5.34 1203 1025 A 20 PHE HE% A 40 GLU HBy 1.0 . 5.34 1204 1026 A 20 PHE HE% A 44 ARG HDx 1.0 . 4.30 1205 1026 A 20 PHE HE% A 44 ARG HDy 1.0 . 4.30 1206 1027 A 22 ILE HD1% A 46 LEU HDx% 1.0 . 3.48 1207 1027 A 22 ILE HD1% A 46 LEU HDy% 1.0 . 3.48 1208 1028 A 26 ARG H A 26 ARG HDy 1.0 . 4.61 1209 1028 A 26 ARG H A 26 ARG HDx 1.0 . 4.61 1210 1029 A 26 ARG HBx A 26 ARG HDy 1.0 . 3.51 1211 1029 A 26 ARG HBx A 26 ARG HDx 1.0 . 3.51 1212 1030 A 27 CYS H A 26 ARG HDy 1.0 . 4.39 1213 1030 A 27 CYS H A 26 ARG HDx 1.0 . 4.39 1214 1031 A 54 ILE HG2% A 26 ARG HDy 1.0 . 4.00 1215 1031 A 54 ILE HG2% A 26 ARG HDx 1.0 . 4.00 1216 1032 A 58 CYS HBy A 26 ARG HDy 1.0 . 3.86 1217 1032 A 58 CYS HBy A 26 ARG HDx 1.0 . 3.86 1218 1033 A 27 CYS H A 27 CYS HBx 1.0 . 3.35 1219 1033 A 27 CYS H A 27 CYS HBy 1.0 . 3.35 1220 1034 A 29 GLU H A 27 CYS HBx 1.0 . 5.34 1221 1034 A 29 GLU H A 27 CYS HBy 1.0 . 5.34 1222 1035 A 28 GLU HA A 28 GLU HGy 1.0 . 2.99 1223 1035 A 28 GLU HA A 28 GLU HGx 1.0 . 2.99 1224 1036 A 32 HIS HBy A 34 ASP HBy 1.0 . 5.34 1225 1036 A 32 HIS HBy A 34 ASP HBx 1.0 . 5.34 1226 1037 A 34 ASP H A 34 ASP HBy 1.0 . 3.14 1227 1037 A 34 ASP H A 34 ASP HBx 1.0 . 3.14 1228 1038 A 35 CYS H A 34 ASP HBy 1.0 . 3.29 1229 1038 A 35 CYS H A 34 ASP HBx 1.0 . 3.29 1230 1039 A 36 VAL H A 37 GLY HAy 1.0 . 4.58 1231 1039 A 36 VAL H A 37 GLY HAx 1.0 . 4.58 1232 1040 A 38 ILE HG2% A 42 ARG HBy 1.0 . 3.87 1233 1040 A 38 ILE HG2% A 42 ARG HBx 1.0 . 3.87 1234 1041 A 38 ILE HG1y A 42 ARG HBy 1.0 . 5.26 1235 1041 A 38 ILE HG1x A 42 ARG HBy 1.0 . 5.26 1236 1041 A 42 ARG HBx A 38 ILE HG1x 1.0 . 5.26 1237 1041 A 38 ILE HG1y A 42 ARG HBx 1.0 . 5.26 1238 1042 A 38 ILE HD1% A 42 ARG HBy 1.0 . 4.60 1239 1042 A 38 ILE HD1% A 42 ARG HBx 1.0 . 4.60 1240 1043 A 38 ILE HD1% A 42 ARG HDy 1.0 . 4.99 1241 1043 A 38 ILE HD1% A 42 ARG HDx 1.0 . 4.99 1242 1044 A 39 SER H A 39 SER HBy 1.0 . 3.17 1243 1044 A 39 SER H A 39 SER HBx 1.0 . 3.17 1244 1045 A 39 SER H A 42 ARG HGx 1.0 . 5.34 1245 1045 A 39 SER H A 42 ARG HGy 1.0 . 5.34 1246 1046 A 39 SER H A 42 ARG HDy 1.0 . 4.62 1247 1046 A 39 SER H A 42 ARG HDx 1.0 . 4.62 1248 1047 A 40 GLU H A 39 SER HBy 1.0 . 3.13 1249 1047 A 40 GLU H A 39 SER HBx 1.0 . 3.13 1250 1048 A 41 ALA H A 39 SER HBy 1.0 . 3.23 1251 1048 A 41 ALA H A 39 SER HBx 1.0 . 3.23 1252 1049 A 41 ALA HB% A 39 SER HBy 1.0 . 4.01 1253 1049 A 41 ALA HB% A 39 SER HBx 1.0 . 4.01 1254 1050 A 43 GLY H A 39 SER HBy 1.0 . 5.05 1255 1050 A 43 GLY H A 39 SER HBx 1.0 . 5.05 1256 1051 A 40 GLU H A 40 GLU HBx 1.0 . 3.07 1257 1051 A 40 GLU H A 40 GLU HBy 1.0 . 3.07 1258 1052 A 40 GLU HBx A 40 GLU HGx 1.0 . 2.42 1259 1052 A 40 GLU HBy A 40 GLU HGx 1.0 . 2.42 1260 1052 A 40 GLU HGy A 40 GLU HBx 1.0 . 2.42 1261 1052 A 40 GLU HGy A 40 GLU HBy 1.0 . 2.42 1262 1053 A 42 ARG H A 42 ARG HDy 1.0 . 4.75 1263 1053 A 42 ARG H A 42 ARG HDx 1.0 . 4.75 1264 1054 A 42 ARG HA A 42 ARG HGx 1.0 . 3.22 1265 1054 A 42 ARG HA A 42 ARG HGy 1.0 . 3.22 1266 1055 A 42 ARG HA A 42 ARG HDy 1.0 . 3.37 1267 1055 A 42 ARG HA A 42 ARG HDx 1.0 . 3.37 1268 1056 A 42 ARG HA A 45 LEU HDx% 1.0 . 4.62 1269 1056 A 42 ARG HA A 45 LEU HDy% 1.0 . 4.62 1270 1057 A 43 GLY H A 42 ARG HBy 1.0 . 3.27 1271 1057 A 43 GLY H A 42 ARG HBx 1.0 . 3.27 1272 1058 A 43 GLY H A 46 LEU HDx% 1.0 . 5.26 1273 1058 A 43 GLY H A 46 LEU HDy% 1.0 . 5.26 1274 1059 A 43 GLY HAx A 46 LEU HDx% 1.0 . 3.43 1275 1059 A 43 GLY HAx A 46 LEU HDy% 1.0 . 3.43 1276 1060 A 43 GLY HAy A 46 LEU HDx% 1.0 . 4.70 1277 1060 A 43 GLY HAy A 46 LEU HDy% 1.0 . 4.70 1278 1061 A 44 ARG HA A 44 ARG HDx 1.0 . 3.90 1279 1061 A 44 ARG HA A 44 ARG HDy 1.0 . 3.90 1280 1062 A 45 LEU H A 45 LEU HDx% 1.0 . 4.26 1281 1062 A 45 LEU H A 45 LEU HDy% 1.0 . 4.26 1282 1063 A 45 LEU HA A 45 LEU HDx% 1.0 . 3.61 1283 1063 A 45 LEU HA A 45 LEU HDy% 1.0 . 3.61 1284 1064 A 49 ASN HD2y A 45 LEU HBx 1.0 . 4.54 1285 1064 A 49 ASN HD2y A 45 LEU HBy 1.0 . 4.54 1286 1065 A 49 ASN HD2y A 45 LEU HDx% 1.0 . 3.54 1287 1065 A 49 ASN HD2y A 45 LEU HDy% 1.0 . 3.54 1288 1066 A 49 ASN HD2x A 45 LEU HDx% 1.0 . 4.03 1289 1066 A 49 ASN HD2x A 45 LEU HDy% 1.0 . 4.03 1290 1067 A 46 LEU H A 46 LEU HDx% 1.0 . 3.43 1291 1067 A 46 LEU H A 46 LEU HDy% 1.0 . 3.43 1292 1068 A 46 LEU HA A 46 LEU HBx 1.0 . 2.49 1293 1068 A 46 LEU HA A 46 LEU HBy 1.0 . 2.49 1294 1069 A 46 LEU HA A 46 LEU HDx% 1.0 . 2.76 1295 1069 A 46 LEU HA A 46 LEU HDy% 1.0 . 2.76 1296 1070 A 46 LEU HA A 49 ASN HBy 1.0 . 3.99 1297 1070 A 46 LEU HA A 49 ASN HBx 1.0 . 3.99 1298 1071 A 51 GLU H A 46 LEU HBx 1.0 . 5.34 1299 1071 A 51 GLU H A 46 LEU HBy 1.0 . 5.34 1300 1072 A 53 TYR HD% A 46 LEU HBx 1.0 . 5.34 1301 1072 A 53 TYR HD% A 46 LEU HBy 1.0 . 5.34 1302 1073 A 47 GLU H A 46 LEU HDx% 1.0 . 4.60 1303 1073 A 47 GLU H A 46 LEU HDy% 1.0 . 4.60 1304 1074 A 51 GLU HA A 46 LEU HDx% 1.0 . 5.44 1305 1074 A 51 GLU HA A 46 LEU HDy% 1.0 . 5.44 1306 1075 A 46 LEU HDy% A 51 GLU HGx 1.0 . 4.54 1307 1075 A 46 LEU HDx% A 51 GLU HGx 1.0 . 4.54 1308 1075 A 51 GLU HGy A 46 LEU HDx% 1.0 . 4.54 1309 1075 A 51 GLU HGy A 46 LEU HDy% 1.0 . 4.54 1310 1076 A 53 TYR HA A 46 LEU HDx% 1.0 . 4.36 1311 1076 A 53 TYR HA A 46 LEU HDy% 1.0 . 4.36 1312 1077 A 46 LEU HDy% A 53 TYR HBx 1.0 . 3.47 1313 1077 A 46 LEU HDx% A 53 TYR HBx 1.0 . 3.47 1314 1077 A 53 TYR HBy A 46 LEU HDx% 1.0 . 3.47 1315 1077 A 53 TYR HBy A 46 LEU HDy% 1.0 . 3.47 1316 1078 A 53 TYR HD% A 46 LEU HDx% 1.0 . 3.78 1317 1078 A 53 TYR HD% A 46 LEU HDy% 1.0 . 3.78 1318 1079 A 47 GLU H A 47 GLU HGx 1.0 . 3.75 1319 1079 A 47 GLU H A 47 GLU HGy 1.0 . 3.75 1320 1080 A 47 GLU HBy A 47 GLU HGx 1.0 . 2.33 1321 1080 A 47 GLU HBx A 47 GLU HGx 1.0 . 2.33 1322 1080 A 47 GLU HGy A 47 GLU HBx 1.0 . 2.33 1323 1080 A 47 GLU HGy A 47 GLU HBy 1.0 . 2.33 1324 1081 A 47 GLU HBy A 48 ARG HDx 1.0 . 3.93 1325 1081 A 48 ARG HDy A 47 GLU HBx 1.0 . 3.93 1326 1081 A 48 ARG HDy A 47 GLU HBy 1.0 . 3.93 1327 1081 A 47 GLU HBx A 48 ARG HDx 1.0 . 3.93 1328 1082 A 48 ARG H A 48 ARG HGx 1.0 . 5.34 1329 1082 A 48 ARG H A 48 ARG HGy 1.0 . 5.34 1330 1083 A 48 ARG HA A 48 ARG HGx 1.0 . 3.32 1331 1083 A 48 ARG HA A 48 ARG HGy 1.0 . 3.32 1332 1084 A 49 ASN H A 49 ASN HBy 1.0 . 3.15 1333 1084 A 49 ASN H A 49 ASN HBx 1.0 . 3.15 1334 1085 A 49 ASN HD2y A 49 ASN HBy 1.0 . 2.51 1335 1085 A 49 ASN HD2y A 49 ASN HBx 1.0 . 2.51 1336 1086 A 49 ASN HD2x A 49 ASN HBy 1.0 . 3.39 1337 1086 A 49 ASN HD2x A 49 ASN HBx 1.0 . 3.39 1338 1087 A 50 GLY H A 49 ASN HBy 1.0 . 4.03 1339 1087 A 50 GLY H A 49 ASN HBx 1.0 . 4.03 1340 1088 A 49 ASN HBy A 50 GLY HAx 1.0 . 5.18 1341 1088 A 49 ASN HBx A 50 GLY HAx 1.0 . 5.18 1342 1088 A 50 GLY HAy A 49 ASN HBy 1.0 . 5.18 1343 1088 A 50 GLY HAy A 49 ASN HBx 1.0 . 5.18 1344 1089 A 51 GLU H A 49 ASN HBy 1.0 . 3.92 1345 1089 A 51 GLU H A 49 ASN HBx 1.0 . 3.92 1346 1090 A 49 ASN HBy A 51 GLU HGx 1.0 . 3.35 1347 1090 A 49 ASN HBx A 51 GLU HGx 1.0 . 3.35 1348 1090 A 51 GLU HGy A 49 ASN HBy 1.0 . 3.35 1349 1090 A 51 GLU HGy A 49 ASN HBx 1.0 . 3.35 1350 1091 A 50 GLY H A 51 GLU HBx 1.0 . 5.34 1351 1091 A 50 GLY H A 51 GLU HBy 1.0 . 5.34 1352 1092 A 51 GLU HBy A 51 GLU HGx 1.0 . 2.44 1353 1092 A 51 GLU HBx A 51 GLU HGx 1.0 . 2.44 1354 1092 A 51 GLU HGy A 51 GLU HBx 1.0 . 2.44 1355 1092 A 51 GLU HGy A 51 GLU HBy 1.0 . 2.44 1356 1093 A 57 ASN HBy A 60 ILE HG1y 1.0 . 5.34 1357 1093 A 57 ASN HBy A 60 ILE HG1x 1.0 . 5.34 1358 1094 A 58 CYS H A 61 LEU HBx 1.0 . 5.34 1359 1094 A 58 CYS H A 61 LEU HBy 1.0 . 5.34 1360 1095 A 58 CYS HA A 61 LEU HDy% 1.0 . 4.70 1361 1095 A 58 CYS HA A 61 LEU HDx% 1.0 . 4.70 1362 1096 A 60 ILE H A 60 ILE HG1y 1.0 . 3.16 1363 1096 A 60 ILE H A 60 ILE HG1x 1.0 . 3.16 1364 1097 A 61 LEU H A 60 ILE HG1y 1.0 . 3.97 1365 1097 A 61 LEU H A 60 ILE HG1x 1.0 . 3.97 1366 1098 A 61 LEU H A 61 LEU HDy% 1.0 . 3.98 1367 1098 A 61 LEU H A 61 LEU HDx% 1.0 . 3.98 1368 1099 A 61 LEU HA A 61 LEU HDy% 1.0 . 3.58 1369 1099 A 61 LEU HA A 61 LEU HDx% 1.0 . 3.58 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLY C A 2 SER N A 2 SER CA A 2 SER C 1.0 -181.4 -44.6 PHI 2 2 A 2 SER C A 3 MET N A 3 MET CA A 3 MET C 1.0 -138.3 -44.5 PHI 3 3 A 3 MET N A 3 MET CA A 3 MET C A 4 ASP N 1.0 90.1 168.2 PSI 4 4 A 3 MET C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -130.1 -49.2 PHI 5 5 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 PRO N 1.0 101.3 172.6 PSI 6 6 A 5 PRO C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -125.5 -74.5 PHI 7 7 A 6 ASN C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -156.1 -31.9 PHI 8 8 A 7 ALA C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -145.9 -24.4 PHI 9 9 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 TYR N 1.0 80.0 184.6 PSI 10 10 A 8 LEU C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -158.7 -82.5 PHI 11 11 A 10 CYS C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -92.7 -38.7 PHI 12 12 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 CYS N 1.0 -58.1 -17.1 PSI 13 13 A 12 CYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 42.3 77.5 PHI 14 14 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 GLN N 1.0 19.7 69.7 PSI 15 15 A 13 ARG C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -167.0 -86.5 PHI 16 16 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 PRO N 1.0 116.2 175.9 PSI 17 17 A 15 PRO C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -77.5 -40.5 PHI 18 18 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 ASN N 1.0 -58.1 3.3 PSI 19 19 A 16 HIS C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -112.2 -66.5 PHI 20 20 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 ASN N 1.0 -36.4 42.5 PSI 21 21 A 18 ASN C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -121.5 -72.6 PHI 22 22 A 19 ARG C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -142.6 -48.2 PHI 23 23 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 MET N 1.0 106.6 147.4 PSI 24 24 A 20 PHE C A 21 MET N A 21 MET CA A 21 MET C 1.0 -161.1 -98.2 PHI 25 25 A 21 MET N A 21 MET CA A 21 MET C A 22 ILE N 1.0 114.7 155.7 PSI 26 26 A 21 MET C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -175.9 -99.5 PHI 27 27 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 CYS N 1.0 104.0 174.4 PSI 28 28 A 22 ILE C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -127.9 -61.1 PHI 29 29 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 CYS N 1.0 100.0 149.5 PSI 30 30 A 24 CYS C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -76.8 -47.0 PHI 31 31 A 25 ASP C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -124.0 -54.1 PHI 32 32 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 CYS N 1.0 -68.5 15.2 PSI 33 33 A 28 GLU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -175.3 -30.0 PHI 34 34 A 29 GLU N A 29 GLU CA A 29 GLU C A 30 TRP N 1.0 114.9 190.2 PSI 35 35 A 29 GLU C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -148.5 -63.1 PHI 36 36 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 PHE N 1.0 118.9 175.0 PSI 37 37 A 30 TRP C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -170.8 -45.4 PHI 38 38 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 HIS N 1.0 127.2 171.8 PSI 39 39 A 31 PHE C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 -122.1 -50.8 PHI 40 40 A 32 HIS N A 32 HIS CA A 32 HIS C A 33 GLY N 1.0 67.9 191.6 PSI 41 41 A 32 HIS C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -71.9 -49.9 PHI 42 42 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ASP N 1.0 -58.0 -22.1 PSI 43 43 A 33 GLY C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -74.7 -54.7 PHI 44 44 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 CYS N 1.0 -55.0 -26.8 PSI 45 45 A 35 CYS C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -123.6 -81.0 PHI 46 46 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 GLY N 1.0 -28.2 30.7 PSI 47 47 A 36 VAL C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 53.6 108.2 PHI 48 48 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 ILE N 1.0 -16.5 41.8 PSI 49 49 A 37 GLY C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -148.5 -54.9 PHI 50 50 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 SER N 1.0 111.1 150.1 PSI 51 51 A 38 ILE C A 39 SER N A 39 SER CA A 39 SER C 1.0 -123.7 -59.8 PHI 52 52 A 39 SER N A 39 SER CA A 39 SER C A 40 GLU N 1.0 110.4 201.6 PSI 53 53 A 39 SER C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -73.2 -45.2 PHI 54 54 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 ALA N 1.0 -56.7 -19.1 PSI 55 55 A 40 GLU C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -76.1 -47.9 PHI 56 56 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 ARG N 1.0 -52.2 -22.4 PSI 57 57 A 41 ALA C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -74.6 -54.6 PHI 58 58 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 GLY N 1.0 -51.0 -31.0 PSI 59 59 A 42 ARG C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 -82.0 -50.3 PHI 60 60 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ARG N 1.0 -50.0 -29.9 PSI 61 61 A 43 GLY C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -80.6 -47.7 PHI 62 62 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 LEU N 1.0 -58.8 -15.8 PSI 63 63 A 44 ARG C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -76.8 -47.9 PHI 64 64 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 LEU N 1.0 -50.9 -30.9 PSI 65 65 A 45 LEU C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -72.2 -52.1 PHI 66 66 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 GLU N 1.0 -49.4 -26.3 PSI 67 67 A 46 LEU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -78.0 -52.9 PHI 68 68 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ARG N 1.0 -53.9 -29.1 PSI 69 69 A 47 GLU C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -82.5 -51.2 PHI 70 70 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 ASN N 1.0 -56.1 -5.2 PSI 71 71 A 48 ARG C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -103.1 -75.7 PHI 72 72 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 GLY N 1.0 -22.9 26.6 PSI 73 73 A 49 ASN C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 59.5 114.2 PHI 74 74 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 GLU N 1.0 -24.1 48.4 PSI 75 75 A 50 GLY C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -163.8 -43.2 PHI 76 76 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ASP N 1.0 69.9 198.2 PSI 77 77 A 51 GLU C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -141.5 -37.8 PHI 78 78 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 TYR N 1.0 89.9 175.1 PSI 79 79 A 52 ASP C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -128.9 -59.2 PHI 80 80 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 ILE N 1.0 100.4 149.2 PSI 81 81 A 53 TYR C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -128.9 -85.0 PHI 82 82 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 CYS N 1.0 92.7 162.2 PSI 83 83 A 56 PRO C A 57 ASN N A 57 ASN CA A 57 ASN C 1.0 -82.4 -56.2 PHI 84 84 A 57 ASN N A 57 ASN CA A 57 ASN C A 58 CYS N 1.0 -53.4 -21.9 PSI 85 85 A 58 CYS C A 59 THR N A 59 THR CA A 59 THR C 1.0 -98.0 -43.6 PHI 86 86 A 59 THR N A 59 THR CA A 59 THR C A 60 ILE N 1.0 -57.0 -14.6 PSI 87 87 A 59 THR C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -134.8 -46.1 PHI 88 88 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 LEU N 1.0 -37.0 23.3 PSI stop_ save_