data_nef_c25575_2n1u save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N1U stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 55 HIS ND1 2 1 ZN ZN 1 16 CYS SG 2 1 ZN ZN 1 7 CYS SG 2 1 ZN ZN 1 52 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 23 GLY start . false 2 A 24 SER middle . . 3 A 25 TYR middle . . 4 A 26 GLY middle . false 5 A 27 GLN middle . . 6 A 28 SER middle . . 7 A 29 CYS middle -HG . 8 A 30 CYS middle . . 9 A 31 LEU middle . . 10 A 32 ILE middle . . 11 A 33 GLU middle . . 12 A 34 ASP middle . . 13 A 35 GLY middle . false 14 A 36 GLU middle . . 15 A 37 ARG middle . . 16 A 38 CYS middle -HG . 17 A 39 VAL middle . . 18 A 40 ARG middle . . 19 A 41 PRO middle . false 20 A 42 ALA middle . . 21 A 43 GLY middle . false 22 A 44 ASN middle . . 23 A 45 ALA middle . . 24 A 46 SER middle . . 25 A 47 PHE middle . . 26 A 48 SER middle . . 27 A 49 LYS middle . . 28 A 50 ARG middle . . 29 A 51 VAL middle . . 30 A 52 GLN middle . . 31 A 53 LYS middle . . 32 A 54 SER middle . . 33 A 55 ILE middle . . 34 A 56 SER middle . . 35 A 57 GLN middle . . 36 A 58 LYS middle . . 37 A 59 LYS middle . . 38 A 60 LEU middle . . 39 A 61 LYS middle . . 40 A 62 LEU middle . . 41 A 63 ASP middle . . 42 A 64 ILE middle . . 43 A 65 ASP middle . . 44 A 66 LYS middle . . 45 A 67 SER middle . . 46 A 68 VAL middle . . 47 A 69 ARG middle . . 48 A 70 HIS middle . . 49 A 71 LEU middle . . 50 A 72 TYR middle . . 51 A 73 ILE middle . . 52 A 74 CYS middle -HG . 53 A 75 ASP middle . . 54 A 76 PHE middle . . 55 A 77 HIS middle -HD1 . 56 A 78 LYS middle . . 57 A 79 ASN middle . . 58 A 80 PHE middle . . 59 A 81 ILE middle . . 60 A 82 GLN middle . . 61 A 83 SER middle . . 62 A 84 VAL middle . . 63 A 85 ARG middle . . 64 A 86 ASN middle . . 65 A 87 LYS middle . . 66 A 88 ARG middle . . 67 A 89 LYS middle . . 68 A 90 ARG middle . . 69 A 91 LYS middle . . 70 A 92 THR end . . 71 B 1 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 24 SER HA H 1 4.33 0.02 A 24 SER HBy H 1 3.65 0.02 A 24 SER HBx H 1 3.57 0.02 A 24 SER CA C 13 58.13 0.20 A 24 SER CB C 13 63.87 0.20 A 25 TYR H H 1 8.31 0.02 A 25 TYR HA H 1 4.53 0.02 A 25 TYR HBy H 1 3.04 0.02 A 25 TYR HBx H 1 2.97 0.02 A 25 TYR HD1 H 1 7.11 0.02 A 25 TYR HD2 H 1 7.11 0.02 A 25 TYR HE1 H 1 6.83 0.02 A 25 TYR HE2 H 1 6.83 0.02 A 25 TYR CA C 13 58.42 0.20 A 25 TYR CB C 13 38.57 0.20 A 25 TYR CD1 C 13 133.25 0.20 A 25 TYR CD2 C 13 133.25 0.20 A 25 TYR CE1 C 13 118.20 0.20 A 25 TYR CE2 C 13 118.20 0.20 A 25 TYR N N 15 122.16 0.20 A 26 GLY H H 1 8.30 0.02 A 26 GLY HAy H 1 3.88 0.02 A 26 GLY HAx H 1 3.75 0.02 A 26 GLY CA C 13 45.33 0.20 A 26 GLY N N 15 111.37 0.20 A 27 GLN H H 1 8.05 0.02 A 27 GLN HA H 1 4.51 0.02 A 27 GLN HBy H 1 1.86 0.02 A 27 GLN HBx H 1 1.75 0.02 A 27 GLN HGx H 1 2.09 0.02 A 27 GLN HGy H 1 2.09 0.02 A 27 GLN CA C 13 55.24 0.20 A 27 GLN CB C 13 29.80 0.20 A 27 GLN CG C 13 33.60 0.20 A 27 GLN N N 15 118.91 0.20 A 28 SER H H 1 8.80 0.02 A 28 SER HA H 1 4.81 0.02 A 28 SER HBx H 1 3.84 0.02 A 28 SER HBy H 1 3.84 0.02 A 28 SER CA C 13 57.71 0.20 A 28 SER CB C 13 65.53 0.20 A 28 SER N N 15 119.46 0.20 A 29 CYS H H 1 8.39 0.02 A 29 CYS HA H 1 4.13 0.02 A 29 CYS HBy H 1 3.18 0.02 A 29 CYS HBx H 1 2.93 0.02 A 29 CYS CA C 13 60.62 0.20 A 29 CYS CB C 13 32.77 0.20 A 29 CYS N N 15 122.16 0.20 A 30 CYS H H 1 8.34 0.02 A 30 CYS HA H 1 4.53 0.02 A 30 CYS HBy H 1 2.95 0.02 A 30 CYS HBx H 1 2.73 0.02 A 30 CYS CA C 13 58.81 0.20 A 30 CYS CB C 13 28.91 0.20 A 30 CYS N N 15 122.32 0.20 A 31 LEU H H 1 8.46 0.02 A 31 LEU HA H 1 4.64 0.02 A 31 LEU HBy H 1 1.80 0.02 A 31 LEU HBx H 1 0.71 0.02 A 31 LEU HDx% H 1 0.33 0.02 A 31 LEU HDy% H 1 0.14 0.02 A 31 LEU HG H 1 1.71 0.02 A 31 LEU CA C 13 55.44 0.20 A 31 LEU CB C 13 43.49 0.20 A 31 LEU CD1 C 13 26.65 0.20 A 31 LEU CD2 C 13 22.58 0.20 A 31 LEU CG C 13 26.72 0.20 A 31 LEU N N 15 122.39 0.20 A 32 ILE H H 1 8.68 0.02 A 32 ILE HA H 1 4.20 0.02 A 32 ILE HB H 1 1.36 0.02 A 32 ILE HD1% H 1 0.71 0.02 A 32 ILE HG1y H 1 1.45 0.02 A 32 ILE HG1x H 1 0.65 0.02 A 32 ILE HG2% H 1 0.57 0.02 A 32 ILE CA C 13 60.44 0.20 A 32 ILE CB C 13 39.89 0.20 A 32 ILE CD1 C 13 13.72 0.20 A 32 ILE CG1 C 13 28.04 0.20 A 32 ILE CG2 C 13 17.53 0.20 A 32 ILE N N 15 118.89 0.20 A 33 GLU H H 1 8.64 0.02 A 33 GLU HA H 1 5.08 0.02 A 33 GLU HBy H 1 2.19 0.02 A 33 GLU HBx H 1 1.55 0.02 A 33 GLU HGx H 1 2.15 0.02 A 33 GLU HGy H 1 2.15 0.02 A 33 GLU CA C 13 54.12 0.20 A 33 GLU CB C 13 32.08 0.20 A 33 GLU CG C 13 35.71 0.20 A 33 GLU N N 15 128.40 0.20 A 34 ASP H H 1 9.54 0.02 A 34 ASP HA H 1 4.31 0.02 A 34 ASP HBy H 1 3.17 0.02 A 34 ASP HBx H 1 2.49 0.02 A 34 ASP CA C 13 55.15 0.20 A 34 ASP CB C 13 40.05 0.20 A 34 ASP N N 15 130.39 0.20 A 35 GLY H H 1 8.37 0.02 A 35 GLY HAy H 1 4.22 0.02 A 35 GLY HAx H 1 3.46 0.02 A 35 GLY CA C 13 45.48 0.20 A 35 GLY N N 15 101.94 0.20 A 36 GLU H H 1 7.82 0.02 A 36 GLU HA H 1 4.67 0.02 A 36 GLU HBy H 1 2.07 0.02 A 36 GLU HBx H 1 1.94 0.02 A 36 GLU HGy H 1 2.27 0.02 A 36 GLU HGx H 1 2.17 0.02 A 36 GLU CA C 13 54.35 0.20 A 36 GLU CB C 13 31.63 0.20 A 36 GLU CG C 13 35.66 0.20 A 36 GLU N N 15 120.86 0.20 A 37 ARG H H 1 8.93 0.02 A 37 ARG HA H 1 4.20 0.02 A 37 ARG HBy H 1 1.84 0.02 A 37 ARG HBx H 1 1.72 0.02 A 37 ARG HDx H 1 3.26 0.02 A 37 ARG HDy H 1 3.26 0.02 A 37 ARG HE H 1 7.51 0.02 A 37 ARG HGy H 1 1.80 0.02 A 37 ARG HGx H 1 1.59 0.02 A 37 ARG CA C 13 56.44 0.20 A 37 ARG CB C 13 29.71 0.20 A 37 ARG CD C 13 42.50 0.20 A 37 ARG CG C 13 26.16 0.20 A 37 ARG N N 15 129.79 0.20 A 37 ARG NE N 15 84.87 0.20 A 38 CYS H H 1 9.05 0.02 A 38 CYS HA H 1 4.45 0.02 A 38 CYS HBy H 1 3.14 0.02 A 38 CYS HBx H 1 2.85 0.02 A 38 CYS CA C 13 60.56 0.20 A 38 CYS CB C 13 31.25 0.20 A 38 CYS N N 15 130.95 0.20 A 39 VAL H H 1 8.06 0.02 A 39 VAL HA H 1 4.71 0.02 A 39 VAL HB H 1 2.52 0.02 A 39 VAL HGx% H 1 0.93 0.02 A 39 VAL HGy% H 1 0.86 0.02 A 39 VAL CA C 13 60.34 0.20 A 39 VAL CB C 13 31.29 0.20 A 39 VAL CG1 C 13 21.14 0.20 A 39 VAL CG2 C 13 17.97 0.20 A 39 VAL N N 15 118.27 0.20 A 40 ARG H H 1 8.95 0.02 A 40 ARG HA H 1 4.43 0.02 A 40 ARG HBy H 1 2.21 0.02 A 40 ARG HBx H 1 1.78 0.02 A 40 ARG HDy H 1 3.72 0.02 A 40 ARG HDx H 1 3.19 0.02 A 40 ARG HE H 1 6.82 0.02 A 40 ARG HGy H 1 1.84 0.02 A 40 ARG HGx H 1 1.62 0.02 A 40 ARG CA C 13 56.15 0.20 A 40 ARG CB C 13 29.21 0.20 A 40 ARG CD C 13 44.20 0.20 A 40 ARG CG C 13 29.75 0.20 A 40 ARG N N 15 127.36 0.20 A 40 ARG NE N 15 85.96 0.20 A 41 PRO HA H 1 4.43 0.02 A 41 PRO HBx H 1 1.83 0.02 A 41 PRO HBy H 1 2.29 0.02 A 41 PRO HDy H 1 3.83 0.02 A 41 PRO HDx H 1 3.68 0.02 A 41 PRO HGy H 1 2.11 0.02 A 41 PRO HGx H 1 2.03 0.02 A 41 PRO CA C 13 62.69 0.20 A 41 PRO CB C 13 32.01 0.20 A 41 PRO CD C 13 50.17 0.20 A 41 PRO CG C 13 27.78 0.20 A 42 ALA H H 1 8.41 0.02 A 42 ALA HA H 1 3.62 0.02 A 42 ALA HB% H 1 1.10 0.02 A 42 ALA CA C 13 52.93 0.20 A 42 ALA CB C 13 19.13 0.20 A 42 ALA N N 15 124.26 0.20 A 43 GLY H H 1 8.09 0.02 A 43 GLY HAy H 1 4.47 0.02 A 43 GLY HAx H 1 3.87 0.02 A 43 GLY CA C 13 44.24 0.20 A 43 GLY N N 15 112.69 0.20 A 44 ASN H H 1 8.72 0.02 A 44 ASN HA H 1 4.69 0.02 A 44 ASN HBy H 1 2.85 0.02 A 44 ASN HBx H 1 2.79 0.02 A 44 ASN CA C 13 53.42 0.20 A 44 ASN CB C 13 39.37 0.20 A 44 ASN N N 15 116.98 0.20 A 45 ALA H H 1 8.77 0.02 A 45 ALA HA H 1 4.64 0.02 A 45 ALA HB% H 1 1.55 0.02 A 45 ALA CA C 13 52.24 0.20 A 45 ALA CB C 13 19.54 0.20 A 45 ALA N N 15 124.24 0.20 A 46 SER H H 1 8.06 0.02 A 46 SER HA H 1 5.30 0.02 A 46 SER HBy H 1 3.55 0.02 A 46 SER HBx H 1 3.50 0.02 A 46 SER CA C 13 56.58 0.20 A 46 SER CB C 13 66.49 0.20 A 46 SER N N 15 111.67 0.20 A 47 PHE HA H 1 4.52 0.02 A 47 PHE HBy H 1 3.18 0.02 A 47 PHE HBx H 1 2.65 0.02 A 47 PHE HD1 H 1 7.03 0.02 A 47 PHE HD2 H 1 7.03 0.02 A 47 PHE HE1 H 1 7.08 0.02 A 47 PHE HE2 H 1 7.08 0.02 A 47 PHE HZ H 1 7.16 0.02 A 47 PHE CA C 13 57.00 0.20 A 47 PHE CB C 13 38.36 0.20 A 47 PHE CD1 C 13 131.90 0.20 A 47 PHE CD2 C 13 131.90 0.20 A 47 PHE CE1 C 13 130.98 0.20 A 47 PHE CE2 C 13 130.98 0.20 A 47 PHE CZ C 13 129.27 0.20 A 48 SER H H 1 7.10 0.02 A 48 SER HA H 1 4.44 0.02 A 48 SER HBy H 1 4.28 0.02 A 48 SER HBx H 1 3.87 0.02 A 48 SER CA C 13 56.95 0.20 A 48 SER CB C 13 65.81 0.20 A 48 SER N N 15 116.97 0.20 A 49 LYS H H 1 8.77 0.02 A 49 LYS HA H 1 3.90 0.02 A 49 LYS HBy H 1 1.86 0.02 A 49 LYS HBx H 1 1.82 0.02 A 49 LYS HDx H 1 1.71 0.02 A 49 LYS HDy H 1 1.71 0.02 A 49 LYS HEx H 1 3.01 0.02 A 49 LYS HEy H 1 3.01 0.02 A 49 LYS HGy H 1 1.56 0.02 A 49 LYS HGx H 1 1.47 0.02 A 49 LYS CA C 13 59.57 0.20 A 49 LYS CB C 13 31.79 0.20 A 49 LYS CD C 13 28.85 0.20 A 49 LYS CE C 13 41.97 0.20 A 49 LYS CG C 13 25.15 0.20 A 49 LYS N N 15 120.65 0.20 A 50 ARG H H 1 8.04 0.02 A 50 ARG HA H 1 4.04 0.02 A 50 ARG HBy H 1 1.83 0.02 A 50 ARG HBx H 1 1.76 0.02 A 50 ARG HDx H 1 3.21 0.02 A 50 ARG HDy H 1 3.21 0.02 A 50 ARG HGy H 1 1.68 0.02 A 50 ARG HGx H 1 1.61 0.02 A 50 ARG CA C 13 59.07 0.20 A 50 ARG CB C 13 30.08 0.20 A 50 ARG CD C 13 43.35 0.20 A 50 ARG CG C 13 27.32 0.20 A 50 ARG N N 15 118.24 0.20 A 51 VAL H H 1 7.35 0.02 A 51 VAL HA H 1 3.59 0.02 A 51 VAL HB H 1 1.98 0.02 A 51 VAL HGx% H 1 1.10 0.02 A 51 VAL HGy% H 1 0.89 0.02 A 51 VAL CA C 13 65.94 0.20 A 51 VAL CB C 13 31.62 0.20 A 51 VAL CG1 C 13 22.74 0.20 A 51 VAL CG2 C 13 22.10 0.20 A 51 VAL N N 15 121.68 0.20 A 52 GLN H H 1 8.21 0.02 A 52 GLN HA H 1 3.57 0.02 A 52 GLN HBy H 1 2.04 0.02 A 52 GLN HBx H 1 1.77 0.02 A 52 GLN HGx H 1 1.92 0.02 A 52 GLN HGy H 1 1.92 0.02 A 52 GLN CA C 13 59.21 0.20 A 52 GLN CB C 13 28.62 0.20 A 52 GLN CG C 13 33.82 0.20 A 52 GLN N N 15 119.68 0.20 A 53 LYS H H 1 7.96 0.02 A 53 LYS HA H 1 4.16 0.02 A 53 LYS HBy H 1 1.93 0.02 A 53 LYS HBx H 1 1.90 0.02 A 53 LYS HDx H 1 1.69 0.02 A 53 LYS HDy H 1 1.69 0.02 A 53 LYS HEx H 1 2.97 0.02 A 53 LYS HEy H 1 2.97 0.02 A 53 LYS HGy H 1 1.55 0.02 A 53 LYS HGx H 1 1.47 0.02 A 53 LYS CA C 13 58.67 0.20 A 53 LYS CB C 13 32.12 0.20 A 53 LYS CD C 13 29.01 0.20 A 53 LYS CE C 13 42.08 0.20 A 53 LYS CG C 13 24.91 0.20 A 53 LYS N N 15 118.08 0.20 A 54 SER H H 1 7.80 0.02 A 54 SER HA H 1 4.37 0.02 A 54 SER HBy H 1 4.02 0.02 A 54 SER HBx H 1 3.90 0.02 A 54 SER CA C 13 61.33 0.20 A 54 SER CB C 13 63.69 0.20 A 54 SER N N 15 115.45 0.20 A 55 ILE H H 1 7.84 0.02 A 55 ILE HA H 1 4.06 0.02 A 55 ILE HB H 1 2.10 0.02 A 55 ILE HD1% H 1 0.94 0.02 A 55 ILE HG1y H 1 1.70 0.02 A 55 ILE HG1x H 1 1.22 0.02 A 55 ILE HG2% H 1 1.06 0.02 A 55 ILE CA C 13 63.33 0.20 A 55 ILE CB C 13 38.98 0.20 A 55 ILE CD1 C 13 14.65 0.20 A 55 ILE CG1 C 13 28.34 0.20 A 55 ILE CG2 C 13 18.45 0.20 A 55 ILE N N 15 117.67 0.20 A 56 SER H H 1 8.06 0.02 A 56 SER HA H 1 4.49 0.02 A 56 SER HBx H 1 4.06 0.02 A 56 SER HBy H 1 4.06 0.02 A 56 SER CA C 13 60.22 0.20 A 56 SER CB C 13 63.00 0.20 A 56 SER N N 15 115.65 0.20 A 57 GLN H H 1 8.62 0.02 A 57 GLN HA H 1 4.20 0.02 A 57 GLN HBy H 1 2.26 0.02 A 57 GLN HBx H 1 2.23 0.02 A 57 GLN HGy H 1 2.56 0.02 A 57 GLN HGx H 1 2.45 0.02 A 57 GLN CA C 13 58.31 0.20 A 57 GLN CB C 13 28.85 0.20 A 57 GLN CG C 13 34.43 0.20 A 57 GLN N N 15 121.83 0.20 A 58 LYS H H 1 7.95 0.02 A 58 LYS HA H 1 4.29 0.02 A 58 LYS HBy H 1 1.93 0.02 A 58 LYS HBx H 1 1.82 0.02 A 58 LYS HDx H 1 1.71 0.02 A 58 LYS HDy H 1 1.71 0.02 A 58 LYS HEx H 1 3.02 0.02 A 58 LYS HEy H 1 3.02 0.02 A 58 LYS HGy H 1 1.60 0.02 A 58 LYS HGx H 1 1.45 0.02 A 58 LYS CA C 13 56.92 0.20 A 58 LYS CB C 13 32.90 0.20 A 58 LYS CD C 13 29.23 0.20 A 58 LYS CG C 13 25.85 0.20 A 58 LYS N N 15 116.96 0.20 A 59 LYS H H 1 7.95 0.02 A 59 LYS HA H 1 4.12 0.02 A 59 LYS HBy H 1 2.02 0.02 A 59 LYS HBx H 1 1.94 0.02 A 59 LYS HDx H 1 1.74 0.02 A 59 LYS HDy H 1 1.74 0.02 A 59 LYS HEx H 1 3.05 0.02 A 59 LYS HEy H 1 3.05 0.02 A 59 LYS HGy H 1 1.48 0.02 A 59 LYS HGx H 1 1.42 0.02 A 59 LYS CA C 13 57.09 0.20 A 59 LYS CB C 13 30.08 0.20 A 59 LYS CD C 13 29.05 0.20 A 59 LYS CE C 13 42.32 0.20 A 59 LYS CG C 13 24.93 0.20 A 59 LYS N N 15 116.96 0.20 A 60 LEU H H 1 7.93 0.02 A 60 LEU HA H 1 4.48 0.02 A 60 LEU HBy H 1 1.80 0.02 A 60 LEU HBx H 1 1.61 0.02 A 60 LEU HDx% H 1 0.90 0.02 A 60 LEU HDy% H 1 0.90 0.02 A 60 LEU HG H 1 1.74 0.02 A 60 LEU CA C 13 54.50 0.20 A 60 LEU CB C 13 42.84 0.20 A 60 LEU CD1 C 13 26.07 0.20 A 60 LEU CD2 C 13 22.68 0.20 A 60 LEU CG C 13 27.05 0.20 A 60 LEU N N 15 117.54 0.20 A 61 LYS HA H 1 4.39 0.02 A 61 LYS HBy H 1 2.00 0.02 A 61 LYS HBx H 1 1.91 0.02 A 61 LYS HDx H 1 1.71 0.02 A 61 LYS HDy H 1 1.71 0.02 A 61 LYS HEx H 1 3.03 0.02 A 61 LYS HEy H 1 3.03 0.02 A 61 LYS HGy H 1 1.48 0.02 A 61 LYS HGx H 1 1.42 0.02 A 61 LYS CA C 13 55.54 0.20 A 61 LYS CB C 13 30.05 0.20 A 61 LYS CD C 13 29.10 0.20 A 61 LYS CE C 13 42.29 0.20 A 61 LYS CG C 13 24.52 0.20 A 62 LEU H H 1 7.47 0.02 A 62 LEU HA H 1 5.25 0.02 A 62 LEU HBy H 1 1.58 0.02 A 62 LEU HBx H 1 1.21 0.02 A 62 LEU HDx% H 1 0.84 0.02 A 62 LEU HDy% H 1 0.70 0.02 A 62 LEU HG H 1 1.59 0.02 A 62 LEU CA C 13 53.08 0.20 A 62 LEU CB C 13 45.76 0.20 A 62 LEU CD1 C 13 25.94 0.20 A 62 LEU CD2 C 13 23.85 0.20 A 62 LEU CG C 13 26.68 0.20 A 62 LEU N N 15 120.00 0.20 A 63 ASP H H 1 8.62 0.02 A 63 ASP HA H 1 4.86 0.02 A 63 ASP HBy H 1 2.53 0.02 A 63 ASP HBx H 1 2.47 0.02 A 63 ASP CA C 13 51.89 0.20 A 63 ASP CB C 13 44.91 0.20 A 63 ASP N N 15 121.73 0.20 A 64 ILE H H 1 8.65 0.02 A 64 ILE HA H 1 4.21 0.02 A 64 ILE HB H 1 1.32 0.02 A 64 ILE HD1% H 1 0.72 0.02 A 64 ILE HG1y H 1 1.29 0.02 A 64 ILE HG1x H 1 0.79 0.02 A 64 ILE HG2% H 1 0.57 0.02 A 64 ILE CA C 13 60.43 0.20 A 64 ILE CB C 13 40.42 0.20 A 64 ILE CD1 C 13 14.55 0.20 A 64 ILE CG1 C 13 27.86 0.20 A 64 ILE CG2 C 13 17.71 0.20 A 64 ILE N N 15 118.12 0.20 A 65 ASP H H 1 8.63 0.02 A 65 ASP HA H 1 4.57 0.02 A 65 ASP HBy H 1 2.91 0.02 A 65 ASP HBx H 1 2.26 0.02 A 65 ASP CA C 13 53.31 0.20 A 65 ASP CB C 13 40.44 0.20 A 65 ASP N N 15 124.55 0.20 A 66 LYS H H 1 8.59 0.02 A 66 LYS HA H 1 4.04 0.02 A 66 LYS HBy H 1 1.94 0.02 A 66 LYS HBx H 1 1.80 0.02 A 66 LYS HDx H 1 1.74 0.02 A 66 LYS HDy H 1 1.74 0.02 A 66 LYS HEx H 1 3.04 0.02 A 66 LYS HEy H 1 3.04 0.02 A 66 LYS HGy H 1 1.57 0.02 A 66 LYS HGx H 1 1.46 0.02 A 66 LYS CA C 13 58.14 0.20 A 66 LYS CB C 13 31.99 0.20 A 66 LYS CD C 13 28.90 0.20 A 66 LYS CE C 13 42.00 0.20 A 66 LYS CG C 13 25.33 0.20 A 66 LYS N N 15 125.97 0.20 A 67 SER H H 1 8.76 0.02 A 67 SER HA H 1 4.32 0.02 A 67 SER HBy H 1 3.98 0.02 A 67 SER HBx H 1 3.93 0.02 A 67 SER CA C 13 60.33 0.20 A 67 SER CB C 13 63.71 0.20 A 67 SER N N 15 114.98 0.20 A 68 VAL HA H 1 4.25 0.02 A 68 VAL HB H 1 2.29 0.02 A 68 VAL HGx% H 1 0.88 0.02 A 68 VAL HGy% H 1 0.88 0.02 A 68 VAL CA C 13 62.15 0.20 A 68 VAL CB C 13 31.90 0.20 A 68 VAL CG1 C 13 21.70 0.20 A 68 VAL CG2 C 13 21.88 0.20 A 69 ARG HDx H 1 3.24 0.02 A 69 ARG HDy H 1 3.24 0.02 A 69 ARG HGx H 1 1.61 0.02 A 69 ARG HGy H 1 1.61 0.02 A 69 ARG CA C 13 56.96 0.20 A 69 ARG CD C 13 43.35 0.20 A 70 HIS H H 1 7.39 0.02 A 70 HIS HA H 1 4.76 0.02 A 70 HIS HBy H 1 3.20 0.02 A 70 HIS HBx H 1 3.13 0.02 A 70 HIS HD2 H 1 7.01 0.02 A 70 HIS HE1 H 1 8.15 0.02 A 70 HIS HE2 H 1 13.33 0.02 A 70 HIS CA C 13 55.36 0.20 A 70 HIS CB C 13 33.10 0.20 A 70 HIS CD2 C 13 118.00 0.20 A 70 HIS CE1 C 13 140.14 0.20 A 70 HIS N N 15 116.27 0.20 A 71 LEU H H 1 7.97 0.02 A 71 LEU HA H 1 5.06 0.02 A 71 LEU HBy H 1 1.78 0.02 A 71 LEU HBx H 1 1.34 0.02 A 71 LEU HDx% H 1 0.88 0.02 A 71 LEU HDy% H 1 0.88 0.02 A 71 LEU HG H 1 1.44 0.02 A 71 LEU CA C 13 54.07 0.20 A 71 LEU CB C 13 42.71 0.20 A 71 LEU CD1 C 13 25.63 0.20 A 71 LEU CD2 C 13 23.75 0.20 A 71 LEU CG C 13 26.81 0.20 A 71 LEU N N 15 120.20 0.20 A 72 TYR HA H 1 5.03 0.02 A 72 TYR HBy H 1 3.23 0.02 A 72 TYR HBx H 1 2.82 0.02 A 72 TYR HD1 H 1 7.01 0.02 A 72 TYR HD2 H 1 7.01 0.02 A 72 TYR HE1 H 1 6.82 0.02 A 72 TYR HE2 H 1 6.82 0.02 A 72 TYR CA C 13 59.99 0.20 A 72 TYR CB C 13 39.44 0.20 A 72 TYR CD1 C 13 133.34 0.20 A 72 TYR CD2 C 13 133.34 0.20 A 72 TYR CE1 C 13 117.80 0.20 A 72 TYR CE2 C 13 117.80 0.20 A 73 ILE H H 1 8.45 0.02 A 73 ILE HA H 1 6.08 0.02 A 73 ILE HB H 1 2.13 0.02 A 73 ILE HD1% H 1 0.72 0.02 A 73 ILE HG1y H 1 1.58 0.02 A 73 ILE HG1x H 1 0.96 0.02 A 73 ILE HG2% H 1 1.01 0.02 A 73 ILE CA C 13 58.09 0.20 A 73 ILE CB C 13 41.82 0.20 A 73 ILE CD1 C 13 13.54 0.20 A 73 ILE CG1 C 13 25.19 0.20 A 73 ILE CG2 C 13 18.61 0.20 A 73 ILE N N 15 112.94 0.20 A 74 CYS H H 1 9.83 0.02 A 74 CYS HA H 1 5.08 0.02 A 74 CYS HBy H 1 3.43 0.02 A 74 CYS HBx H 1 2.84 0.02 A 74 CYS CA C 13 57.67 0.20 A 74 CYS CB C 13 33.33 0.20 A 74 CYS N N 15 124.73 0.20 A 75 ASP H H 1 9.09 0.02 A 75 ASP HA H 1 4.59 0.02 A 75 ASP HBy H 1 2.73 0.02 A 75 ASP HBx H 1 2.68 0.02 A 75 ASP CA C 13 57.32 0.20 A 75 ASP CB C 13 39.67 0.20 A 75 ASP N N 15 120.99 0.20 A 76 PHE H H 1 8.33 0.02 A 76 PHE HA H 1 4.23 0.02 A 76 PHE HBy H 1 3.65 0.02 A 76 PHE HBx H 1 3.10 0.02 A 76 PHE HD1 H 1 6.51 0.02 A 76 PHE HD2 H 1 6.51 0.02 A 76 PHE HE1 H 1 7.02 0.02 A 76 PHE HE2 H 1 7.02 0.02 A 76 PHE HZ H 1 7.13 0.02 A 76 PHE CA C 13 62.03 0.20 A 76 PHE CB C 13 38.19 0.20 A 76 PHE CD1 C 13 131.22 0.20 A 76 PHE CD2 C 13 131.22 0.20 A 76 PHE CE1 C 13 131.12 0.20 A 76 PHE CE2 C 13 131.12 0.20 A 76 PHE CZ C 13 129.99 0.20 A 76 PHE N N 15 122.47 0.20 A 77 HIS H H 1 10.30 0.02 A 77 HIS HA H 1 4.28 0.02 A 77 HIS HBy H 1 3.87 0.02 A 77 HIS HBx H 1 2.81 0.02 A 77 HIS HD2 H 1 6.78 0.02 A 77 HIS HE1 H 1 8.29 0.02 A 77 HIS CA C 13 63.88 0.20 A 77 HIS CB C 13 29.60 0.20 A 77 HIS CD2 C 13 117.69 0.20 A 77 HIS CE1 C 13 139.76 0.20 A 77 HIS N N 15 124.58 0.20 A 78 LYS H H 1 8.96 0.02 A 78 LYS HA H 1 3.86 0.02 A 78 LYS HBy H 1 2.16 0.02 A 78 LYS HBx H 1 1.98 0.02 A 78 LYS HDy H 1 1.84 0.02 A 78 LYS HDx H 1 1.70 0.02 A 78 LYS HEx H 1 2.97 0.02 A 78 LYS HEy H 1 2.97 0.02 A 78 LYS HGy H 1 1.50 0.02 A 78 LYS HGx H 1 1.23 0.02 A 78 LYS CA C 13 60.55 0.20 A 78 LYS CB C 13 32.04 0.20 A 78 LYS CD C 13 29.34 0.20 A 78 LYS CE C 13 41.93 0.20 A 78 LYS CG C 13 23.96 0.20 A 78 LYS N N 15 122.93 0.20 A 79 ASN H H 1 8.23 0.02 A 79 ASN HA H 1 4.42 0.02 A 79 ASN HBy H 1 2.81 0.02 A 79 ASN HBx H 1 2.74 0.02 A 79 ASN CA C 13 56.03 0.20 A 79 ASN CB C 13 38.10 0.20 A 79 ASN N N 15 116.67 0.20 A 80 PHE H H 1 8.20 0.02 A 80 PHE HA H 1 4.18 0.02 A 80 PHE HBy H 1 3.02 0.02 A 80 PHE HBx H 1 2.85 0.02 A 80 PHE HD1 H 1 7.12 0.02 A 80 PHE HD2 H 1 7.12 0.02 A 80 PHE HE1 H 1 7.36 0.02 A 80 PHE HE2 H 1 7.36 0.02 A 80 PHE HZ H 1 7.44 0.02 A 80 PHE CA C 13 60.70 0.20 A 80 PHE CB C 13 39.84 0.20 A 80 PHE CD1 C 13 131.27 0.20 A 80 PHE CD2 C 13 131.27 0.20 A 80 PHE CE1 C 13 131.64 0.20 A 80 PHE CE2 C 13 131.64 0.20 A 80 PHE CZ C 13 130.74 0.20 A 80 PHE N N 15 122.60 0.20 A 81 ILE H H 1 8.52 0.02 A 81 ILE HA H 1 3.32 0.02 A 81 ILE HB H 1 1.90 0.02 A 81 ILE HD1% H 1 0.82 0.02 A 81 ILE HG1y H 1 1.93 0.02 A 81 ILE HG1x H 1 0.93 0.02 A 81 ILE HG2% H 1 0.88 0.02 A 81 ILE CA C 13 65.16 0.20 A 81 ILE CB C 13 38.44 0.20 A 81 ILE CD1 C 13 14.20 0.20 A 81 ILE CG1 C 13 30.07 0.20 A 81 ILE CG2 C 13 17.71 0.20 A 81 ILE N N 15 118.24 0.20 A 82 GLN H H 1 7.67 0.02 A 82 GLN HA H 1 4.10 0.02 A 82 GLN HBx H 1 2.15 0.02 A 82 GLN HBy H 1 2.15 0.02 A 82 GLN HGy H 1 2.53 0.02 A 82 GLN HGx H 1 2.45 0.02 A 82 GLN CA C 13 57.71 0.20 A 82 GLN CB C 13 28.71 0.20 A 82 GLN CG C 13 34.07 0.20 A 82 GLN N N 15 116.37 0.20 A 83 SER H H 1 7.81 0.02 A 83 SER HA H 1 4.30 0.02 A 83 SER HBx H 1 3.92 0.02 A 83 SER HBy H 1 3.92 0.02 A 83 SER CA C 13 60.13 0.20 A 83 SER CB C 13 63.57 0.20 A 83 SER N N 15 114.44 0.20 A 84 VAL H H 1 7.79 0.02 A 84 VAL HA H 1 3.97 0.02 A 84 VAL HB H 1 2.00 0.02 A 84 VAL HGx% H 1 0.83 0.02 A 84 VAL HGy% H 1 0.79 0.02 A 84 VAL CA C 13 63.43 0.20 A 84 VAL CB C 13 31.96 0.20 A 84 VAL CG1 C 13 21.37 0.20 A 84 VAL CG2 C 13 21.08 0.20 A 84 VAL N N 15 120.75 0.20 A 85 ARG H H 1 8.09 0.02 A 85 ARG HA H 1 4.24 0.02 A 85 ARG HBy H 1 1.88 0.02 A 85 ARG HBx H 1 1.78 0.02 A 85 ARG HDx H 1 3.18 0.02 A 85 ARG HDy H 1 3.18 0.02 A 85 ARG HGy H 1 1.74 0.02 A 85 ARG HGx H 1 1.64 0.02 A 85 ARG CA C 13 56.85 0.20 A 85 ARG CB C 13 30.72 0.20 A 85 ARG CD C 13 43.50 0.20 A 85 ARG CG C 13 27.09 0.20 A 85 ARG N N 15 122.09 0.20 A 86 ASN H H 1 8.22 0.02 A 86 ASN HA H 1 4.69 0.02 A 86 ASN HBy H 1 2.85 0.02 A 86 ASN HBx H 1 2.78 0.02 A 86 ASN CA C 13 53.38 0.20 A 86 ASN CB C 13 38.95 0.20 A 86 ASN N N 15 118.51 0.20 A 87 LYS H H 1 8.15 0.02 A 87 LYS HA H 1 4.31 0.02 A 87 LYS HBx H 1 1.85 0.02 A 87 LYS HBy H 1 1.85 0.02 A 87 LYS HDx H 1 1.72 0.02 A 87 LYS HDy H 1 1.72 0.02 A 87 LYS HEx H 1 3.02 0.02 A 87 LYS HEy H 1 3.02 0.02 A 87 LYS HGx H 1 1.47 0.02 A 87 LYS HGy H 1 1.47 0.02 A 87 LYS CA C 13 56.59 0.20 A 87 LYS CB C 13 32.87 0.20 A 87 LYS CD C 13 29.08 0.20 A 87 LYS CE C 13 42.19 0.20 A 87 LYS CG C 13 24.75 0.20 A 87 LYS N N 15 121.60 0.20 A 88 ARG H H 1 8.25 0.02 A 88 ARG HA H 1 4.33 0.02 A 88 ARG HBx H 1 1.84 0.02 A 88 ARG HBy H 1 1.84 0.02 A 88 ARG HDx H 1 3.23 0.02 A 88 ARG HDy H 1 3.23 0.02 A 88 ARG HGx H 1 1.67 0.02 A 88 ARG HGy H 1 1.67 0.02 A 88 ARG CA C 13 56.11 0.20 A 88 ARG CB C 13 30.87 0.20 A 88 ARG CD C 13 43.41 0.20 A 88 ARG CG C 13 27.07 0.20 A 88 ARG N N 15 121.92 0.20 A 89 LYS H H 1 8.32 0.02 A 89 LYS HA H 1 4.32 0.02 A 89 LYS HBx H 1 1.85 0.02 A 89 LYS HBy H 1 1.85 0.02 A 89 LYS HDx H 1 1.73 0.02 A 89 LYS HDy H 1 1.73 0.02 A 89 LYS HEx H 1 3.04 0.02 A 89 LYS HEy H 1 3.04 0.02 A 89 LYS HGx H 1 1.47 0.02 A 89 LYS HGy H 1 1.47 0.02 A 89 LYS CA C 13 56.33 0.20 A 89 LYS CB C 13 33.14 0.20 A 89 LYS CD C 13 29.11 0.20 A 89 LYS CE C 13 42.17 0.20 A 89 LYS CG C 13 24.73 0.20 A 89 LYS N N 15 123.02 0.20 A 90 ARG H H 1 8.36 0.02 A 90 ARG HA H 1 4.36 0.02 A 90 ARG HBx H 1 1.84 0.02 A 90 ARG HBy H 1 1.84 0.02 A 90 ARG HDx H 1 3.22 0.02 A 90 ARG HDy H 1 3.22 0.02 A 90 ARG HGx H 1 1.65 0.02 A 90 ARG HGy H 1 1.65 0.02 A 90 ARG CA C 13 56.10 0.20 A 90 ARG CB C 13 31.21 0.20 A 90 ARG CD C 13 43.41 0.20 A 90 ARG CG C 13 27.06 0.20 A 90 ARG N N 15 122.97 0.20 A 91 LYS H H 1 8.45 0.02 A 91 LYS HA H 1 4.38 0.02 A 91 LYS HBx H 1 1.73 0.02 A 91 LYS HBy H 1 1.73 0.02 A 91 LYS HDx H 1 1.87 0.02 A 91 LYS HDy H 1 1.87 0.02 A 91 LYS HEx H 1 3.04 0.02 A 91 LYS HEy H 1 3.04 0.02 A 91 LYS HGx H 1 1.48 0.02 A 91 LYS HGy H 1 1.48 0.02 A 91 LYS CA C 13 56.62 0.20 A 91 LYS CB C 13 33.07 0.20 A 91 LYS CD C 13 29.08 0.20 A 91 LYS CE C 13 42.17 0.20 A 91 LYS CG C 13 24.64 0.20 A 91 LYS N N 15 123.68 0.20 A 92 THR H H 1 7.80 0.02 A 92 THR HA H 1 4.16 0.02 A 92 THR HB H 1 4.25 0.02 A 92 THR HG2% H 1 1.18 0.02 A 92 THR CA C 13 63.19 0.20 A 92 THR CB C 13 70.61 0.20 A 92 THR CG2 C 13 22.07 0.20 A 92 THR N N 15 120.87 0.20 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 34 ASP H A 33 GLU HGx 1.0 . 4.65 2 1 A 33 GLU HGy A 34 ASP H 1.0 . 4.65 3 2 A 84 VAL H A 84 VAL HB 1.0 . 3.72 4 3 A 91 LYS H A 90 ARG HBx 1.0 . 4.52 5 3 A 90 ARG HBy A 91 LYS H 1.0 . 4.52 6 4 A 91 LYS H A 91 LYS HDx 1.0 . 5.19 7 4 A 91 LYS H A 91 LYS HDy 1.0 . 5.19 8 5 A 83 SER H A 83 SER HBx 1.0 . 3.15 9 5 A 83 SER H A 83 SER HBy 1.0 . 3.15 10 6 A 83 SER H A 82 GLN HBx 1.0 . 3.80 11 6 A 83 SER H A 82 GLN HBy 1.0 . 3.80 12 7 A 83 SER H A 82 GLN H 1.0 . 3.45 13 8 A 83 SER H A 81 ILE H 1.0 . 4.48 14 9 A 82 GLN H A 81 ILE HG2% 1.0 . 4.18 15 10 A 81 ILE H A 81 ILE HG2% 1.0 . 3.99 16 11 A 81 ILE H A 77 HIS HBx 1.0 . 4.89 17 12 A 81 ILE H A 80 PHE HBx 1.0 . 3.75 18 13 A 81 ILE H A 78 LYS HA 1.0 . 4.82 19 14 A 81 ILE H A 79 ASN H 1.0 . 4.72 20 15 A 82 GLN H A 81 ILE H 1.0 . 3.67 21 16 A 81 ILE H A 80 PHE H 1.0 . 3.60 22 17 A 80 PHE HBx A 80 PHE H 1.0 . 3.44 23 18 A 80 PHE H A 80 PHE HBy 1.0 . 3.32 24 19 A 80 PHE H A 78 LYS HBx 1.0 . 5.35 25 20 A 80 PHE H A 82 GLN HBx 1.0 . 5.50 26 20 A 82 GLN HBy A 80 PHE H 1.0 . 5.50 27 21 A 79 ASN H A 75 ASP HA 1.0 . 4.38 28 22 A 79 ASN H A 76 PHE HA 1.0 . 4.65 29 23 A 79 ASN H A 78 LYS HBx 1.0 . 3.60 30 24 A 79 ASN H A 78 LYS HBy 1.0 . 4.12 31 25 A 77 HIS HBy A 78 LYS H 1.0 . 3.84 32 26 A 75 ASP HA A 78 LYS H 1.0 . 3.96 33 27 A 78 LYS HBx A 78 LYS H 1.0 . 3.37 34 28 A 78 LYS HBy A 78 LYS H 1.0 . 3.33 35 29 A 78 LYS H A 45 ALA HB% 1.0 . 4.16 36 30 A 79 ASN H A 78 LYS H 1.0 . 3.60 37 31 A 78 LYS H A 77 HIS H 1.0 . 3.70 38 32 A 75 ASP H A 75 ASP HBx 1.0 . 3.60 39 33 A 75 ASP H A 74 CYS HBy 1.0 . 3.60 40 34 A 73 ILE H A 73 ILE HG1y 1.0 . 3.86 41 35 A 73 ILE H A 73 ILE HG1x 1.0 . 4.25 42 36 A 67 SER H A 67 SER HBx 1.0 . 3.81 43 37 A 67 SER H A 66 LYS H 1.0 . 3.98 44 38 A 63 ASP HA A 64 ILE H 1.0 . 3.22 45 39 A 64 ILE H A 64 ILE HB 1.0 . 3.69 46 40 A 32 ILE HB A 63 ASP H 1.0 . 4.51 47 41 A 25 TYR H A 25 TYR HBx 1.0 . 4.09 48 42 A 25 TYR HA A 26 GLY H 1.0 . 3.27 49 43 A 26 GLY H A 27 GLN H 1.0 . 3.89 50 44 A 27 GLN H A 27 GLN HBx 1.0 . 3.92 51 45 A 28 SER H A 27 GLN HBy 1.0 . 4.74 52 46 A 75 ASP H A 76 PHE H 1.0 . 3.65 53 47 A 77 HIS H A 76 PHE H 1.0 . 3.82 54 48 A 30 CYS H A 74 CYS H 1.0 . 4.86 55 49 A 30 CYS H A 73 ILE HA 1.0 . 3.83 56 50 A 30 CYS H A 29 CYS HA 1.0 . 3.16 57 51 A 76 PHE H A 76 PHE HBy 1.0 . 3.42 58 52 A 74 CYS HBy A 76 PHE H 1.0 . 4.06 59 53 A 76 PHE H A 75 ASP HBy 1.0 . 4.56 60 54 A 76 PHE H A 76 PHE HBx 1.0 . 3.42 61 55 A 31 LEU H A 64 ILE HD1% 1.0 . 4.79 62 56 A 31 LEU H A 31 LEU HDy% 1.0 . 4.64 63 57 A 32 ILE H A 31 LEU HBx 1.0 . 4.25 64 58 A 32 ILE HG2% A 33 GLU H 1.0 . 4.03 65 59 A 33 GLU H A 33 GLU HBy 1.0 . 4.05 66 60 A 33 GLU H A 33 GLU HBx 1.0 . 3.61 67 61 A 32 ILE HG2% A 35 GLY H 1.0 . 3.51 68 62 A 34 ASP H A 35 GLY H 1.0 . 3.83 69 63 A 36 GLU H A 36 GLU HBy 1.0 . 3.59 70 64 A 36 GLU H A 36 GLU HBx 1.0 . 3.59 71 65 A 32 ILE HG2% A 36 GLU H 1.0 . 3.78 72 66 A 33 GLU H A 36 GLU H 1.0 . 3.78 73 67 A 35 GLY H A 36 GLU H 1.0 . 3.71 74 68 A 36 GLU HA A 37 ARG H 1.0 . 3.09 75 69 A 38 CYS H A 37 ARG HBy 1.0 . 4.87 76 70 A 39 VAL H A 40 ARG H 1.0 . 3.44 77 71 A 39 VAL H A 29 CYS HBx 1.0 . 4.66 78 72 A 40 ARG H A 29 CYS HBx 1.0 . 4.58 79 73 A 40 ARG H A 40 ARG HBy 1.0 . 3.62 80 74 A 40 ARG H A 40 ARG HGy 1.0 . 4.10 81 75 A 40 ARG H A 40 ARG HGx 1.0 . 4.10 82 76 A 41 PRO HA A 42 ALA H 1.0 . 2.96 83 77 A 43 GLY H A 45 ALA H 1.0 . 4.65 84 78 A 43 GLY H A 42 ALA HA 1.0 . 3.23 85 79 A 43 GLY H A 42 ALA HB% 1.0 . 3.76 86 80 A 45 ALA HA A 46 SER H 1.0 . 3.25 87 81 A 51 VAL H A 51 VAL HGy% 1.0 . 4.44 88 82 A 51 VAL H A 51 VAL HB 1.0 . 3.26 89 83 A 51 VAL H A 52 GLN H 1.0 . 3.48 90 84 A 52 GLN H A 53 LYS H 1.0 . 3.84 91 85 A 53 LYS H A 55 ILE H 1.0 . 4.74 92 86 A 54 SER H A 54 SER HBx 1.0 . 3.71 93 87 A 54 SER H A 51 VAL HA 1.0 . 4.14 94 88 A 54 SER H A 53 LYS HBy 1.0 . 4.47 95 89 A 54 SER H A 53 LYS HBx 1.0 . 4.47 96 90 A 53 LYS H A 54 SER H 1.0 . 3.45 97 91 A 56 SER H A 57 GLN H 1.0 . 4.54 98 92 A 55 ILE H A 56 SER H 1.0 . 4.07 99 93 A 57 GLN H A 57 GLN HBx 1.0 . 4.17 100 94 A 57 GLN H A 58 LYS H 1.0 . 4.54 101 95 A 58 LYS H A 56 SER HA 1.0 . 4.54 102 96 A 59 LYS H A 58 LYS HGx 1.0 . 5.50 103 97 A 59 LYS H A 60 LEU HBy 1.0 . 4.92 104 98 A 58 LYS H A 58 LYS HBx 1.0 . 3.83 105 99 A 60 LEU H A 60 LEU HBx 1.0 . 3.69 106 100 A 60 LEU H A 60 LEU HDx% 1.0 . 4.10 107 100 A 60 LEU H A 60 LEU HDy% 1.0 . 4.10 108 101 A 85 ARG H A 85 ARG HBx 1.0 . 4.06 109 102 A 84 VAL HB A 85 ARG H 1.0 . 4.35 110 103 A 88 ARG H A 88 ARG HBx 1.0 . 3.96 111 103 A 88 ARG H A 88 ARG HBy 1.0 . 3.96 112 104 A 89 LYS H A 89 LYS HGx 1.0 . 4.81 113 104 A 89 LYS H A 89 LYS HGy 1.0 . 4.81 114 105 A 89 LYS HA A 90 ARG H 1.0 . 3.54 115 106 A 90 ARG H A 89 LYS HBx 1.0 . 4.56 116 106 A 90 ARG H A 89 LYS HBy 1.0 . 4.56 117 107 A 25 TYR H A 25 TYR HBy 1.0 . 4.09 118 108 A 70 HIS H A 70 HIS HE2 1.0 . 4.89 119 109 A 71 LEU H A 71 LEU HDx% 1.0 . 4.60 120 109 A 71 LEU H A 71 LEU HDy% 1.0 . 4.60 121 110 A 71 LEU H A 71 LEU HBy 1.0 . 3.82 122 111 A 27 GLN H A 28 SER H 1.0 . 4.49 123 112 A 28 SER H A 27 GLN HGx 1.0 . 4.77 124 112 A 28 SER H A 27 GLN HGy 1.0 . 4.77 125 113 A 33 GLU H A 32 ILE HG1y 1.0 . 4.44 126 114 A 35 GLY H A 34 ASP HBy 1.0 . 4.85 127 115 A 32 ILE HG2% A 37 ARG H 1.0 . 5.07 128 116 A 42 ALA H A 28 SER HA 1.0 . 3.28 129 117 A 42 ALA H A 43 GLY H 1.0 . 4.76 130 118 A 39 VAL H A 40 ARG HBy 1.0 . 4.93 131 119 A 54 SER H A 53 LYS HDx 1.0 . 4.76 132 119 A 54 SER H A 53 LYS HDy 1.0 . 4.76 133 120 A 63 ASP H A 62 LEU HG 1.0 . 5.50 134 121 A 71 LEU H A 70 HIS HA 1.0 . 3.42 135 122 A 73 ILE H A 46 SER HA 1.0 . 4.91 136 123 A 74 CYS H A 29 CYS H 1.0 . 5.27 137 124 A 77 HIS HBx A 78 LYS H 1.0 . 4.44 138 125 A 78 LYS H A 73 ILE HG2% 1.0 . 5.43 139 126 A 73 ILE HA A 31 LEU H 1.0 . 3.97 140 127 A 73 ILE HA A 73 ILE HD1% 1.0 . 4.50 141 128 A 72 TYR HD% A 46 SER HBy 1.0 . 4.77 142 129 A 47 PHE HD% A 52 GLN HGx 1.0 . 4.82 143 129 A 47 PHE HD% A 52 GLN HGy 1.0 . 4.82 144 130 A 47 PHE HD% A 71 LEU HDx% 1.0 . 4.12 145 130 A 71 LEU HDy% A 47 PHE HD% 1.0 . 4.12 146 131 A 80 PHE HD% A 62 LEU HDx% 1.0 . 4.46 147 132 A 68 VAL HB A 70 HIS HD2 1.0 . 3.88 148 133 A 80 PHE HBx A 77 HIS HD2 1.0 . 4.02 149 134 A 77 HIS HBx A 77 HIS HD2 1.0 . 3.95 150 135 A 77 HIS HD2 A 31 LEU HDx% 1.0 . 4.70 151 136 A 32 ILE HA A 38 CYS HBy 1.0 . 5.30 152 137 A 37 ARG HA A 38 CYS HBy 1.0 . 5.50 153 138 A 32 ILE HA A 38 CYS HBx 1.0 . 5.30 154 139 A 37 ARG HA A 38 CYS HBx 1.0 . 5.50 155 140 A 82 GLN HA A 82 GLN HGx 1.0 . 3.89 156 141 A 82 GLN H A 82 GLN HBx 1.0 . 3.16 157 141 A 82 GLN HBy A 82 GLN H 1.0 . 3.16 158 142 A 81 ILE HG2% A 82 GLN HGx 1.0 . 5.31 159 143 A 81 ILE HG2% A 82 GLN HGy 1.0 . 5.31 160 144 A 83 SER H A 81 ILE HA 1.0 . 4.99 161 145 A 84 VAL H A 81 ILE HA 1.0 . 5.25 162 146 A 80 PHE HD% A 81 ILE HA 1.0 . 4.60 163 147 A 81 ILE HA A 81 ILE HG1y 1.0 . 3.72 164 148 A 82 GLN H A 81 ILE HB 1.0 . 3.74 165 149 A 78 LYS HA A 81 ILE HB 1.0 . 4.26 166 150 A 80 PHE HD% A 81 ILE HG1y 1.0 . 4.63 167 151 A 80 PHE HD% A 81 ILE HG1x 1.0 . 4.63 168 152 A 81 ILE HA A 81 ILE HG1x 1.0 . 3.72 169 153 A 81 ILE HG2% A 47 PHE HE% 1.0 . 4.85 170 154 A 77 HIS HBx A 81 ILE HD1% 1.0 . 4.16 171 155 A 78 LYS HA A 81 ILE HD1% 1.0 . 4.05 172 156 A 81 ILE HB A 81 ILE HD1% 1.0 . 3.16 173 157 A 31 LEU HDx% A 81 ILE HD1% 1.0 . 3.57 174 158 A 47 PHE HD% A 81 ILE HD1% 1.0 . 4.05 175 159 A 47 PHE HE% A 81 ILE HD1% 1.0 . 4.31 176 160 A 81 ILE H A 81 ILE HD1% 1.0 . 4.09 177 161 A 79 ASN HA A 82 GLN HBx 1.0 . 3.28 178 161 A 82 GLN HBy A 79 ASN HA 1.0 . 3.28 179 162 A 76 PHE HA A 79 ASN HBx 1.0 . 4.79 180 163 A 76 PHE HA A 79 ASN HBy 1.0 . 4.79 181 164 A 78 LYS HBx A 79 ASN HBx 1.0 . 5.50 182 165 A 82 GLN HBy A 79 ASN HBx 1.0 . 5.50 183 165 A 79 ASN HBx A 82 GLN HBx 1.0 . 5.50 184 166 A 78 LYS HA A 78 LYS HGy 1.0 . 3.92 185 167 A 51 VAL HB A 52 GLN H 1.0 . 3.61 186 168 A 78 LYS HBx A 78 LYS HEx 1.0 . 4.11 187 168 A 78 LYS HBx A 78 LYS HEy 1.0 . 4.11 188 169 A 84 VAL HB A 58 LYS HEx 1.0 . 4.52 189 169 A 84 VAL HB A 58 LYS HEy 1.0 . 4.52 190 170 A 78 LYS HBy A 78 LYS HEx 1.0 . 4.89 191 170 A 78 LYS HBy A 78 LYS HEy 1.0 . 4.89 192 171 A 78 LYS H A 78 LYS HGx 1.0 . 5.30 193 172 A 79 ASN H A 77 HIS HA 1.0 . 4.26 194 173 A 77 HIS HA A 76 PHE HD% 1.0 . 4.61 195 174 A 80 PHE HBx A 77 HIS HA 1.0 . 3.01 196 175 A 80 PHE HBy A 77 HIS HA 1.0 . 3.13 197 176 A 77 HIS HBy A 74 CYS H 1.0 . 4.47 198 177 A 77 HIS HBx A 74 CYS H 1.0 . 4.74 199 178 A 77 HIS HBx A 73 ILE HB 1.0 . 4.03 200 179 A 77 HIS HBy A 73 ILE HG2% 1.0 . 4.37 201 180 A 77 HIS HBx A 73 ILE HD1% 1.0 . 4.00 202 181 A 77 HIS HBy A 73 ILE HD1% 1.0 . 4.19 203 182 A 77 HIS HBy A 81 ILE HD1% 1.0 . 5.50 204 183 A 77 HIS HBy A 31 LEU HDx% 1.0 . 3.60 205 184 A 77 HIS HBx A 31 LEU HDx% 1.0 . 3.36 206 185 A 68 VAL HA A 68 VAL HGx% 1.0 . 3.22 207 185 A 68 VAL HA A 68 VAL HGy% 1.0 . 3.22 208 186 A 76 PHE HA A 76 PHE HE% 1.0 . 4.59 209 187 A 77 HIS H A 76 PHE HBy 1.0 . 4.34 210 188 A 77 HIS H A 76 PHE HBx 1.0 . 4.34 211 189 A 78 LYS HBx A 75 ASP HA 1.0 . 3.23 212 190 A 75 ASP HA A 78 LYS HBy 1.0 . 3.40 213 191 A 76 PHE H A 75 ASP HBx 1.0 . 4.56 214 192 A 43 GLY H A 74 CYS HA 1.0 . 3.29 215 193 A 42 ALA HA A 74 CYS HA 1.0 . 3.10 216 194 A 75 ASP H A 74 CYS HBx 1.0 . 4.10 217 195 A 29 CYS H A 74 CYS HBx 1.0 . 4.32 218 196 A 74 CYS HBy A 29 CYS H 1.0 . 4.97 219 197 A 40 ARG HBy A 74 CYS HBx 1.0 . 3.93 220 198 A 74 CYS HBy A 40 ARG HBy 1.0 . 4.01 221 199 A 74 CYS HBy A 40 ARG HBx 1.0 . 4.17 222 200 A 31 LEU H A 73 ILE HB 1.0 . 5.21 223 201 A 77 HIS HBy A 73 ILE HB 1.0 . 3.92 224 202 A 31 LEU HDx% A 73 ILE HB 1.0 . 3.71 225 203 A 74 CYS H A 73 ILE HG2% 1.0 . 4.19 226 204 A 73 ILE HG2% A 72 TYR HA 1.0 . 4.24 227 205 A 73 ILE HG2% A 47 PHE HBx 1.0 . 3.76 228 206 A 77 HIS HBx A 73 ILE HG2% 1.0 . 4.00 229 207 A 73 ILE HG2% A 31 LEU HDx% 1.0 . 3.05 230 208 A 31 LEU HDy% A 73 ILE HG2% 1.0 . 3.47 231 209 A 64 ILE HD1% A 47 PHE HD% 1.0 . 3.59 232 210 A 78 LYS H A 73 ILE HD1% 1.0 . 4.18 233 211 A 78 LYS HA A 73 ILE HD1% 1.0 . 3.10 234 212 A 32 ILE HD1% A 37 ARG HDx 1.0 . 3.90 235 212 A 32 ILE HD1% A 37 ARG HDy 1.0 . 3.90 236 213 A 73 ILE HD1% A 31 LEU HDx% 1.0 . 3.58 237 214 A 73 ILE H A 72 TYR HBx 1.0 . 3.85 238 215 A 73 ILE H A 72 TYR HBy 1.0 . 4.61 239 216 A 42 ALA HB% A 72 TYR HBy 1.0 . 4.03 240 217 A 42 ALA HB% A 72 TYR HBx 1.0 . 3.25 241 218 A 66 LYS HA A 66 LYS HGx 1.0 . 3.83 242 219 A 66 LYS HA A 64 ILE HG2% 1.0 . 4.22 243 220 A 66 LYS HA A 66 LYS HGy 1.0 . 3.83 244 221 A 66 LYS H A 65 ASP HA 1.0 . 3.25 245 222 A 32 ILE HD1% A 65 ASP HA 1.0 . 3.61 246 223 A 32 ILE HD1% A 65 ASP HBx 1.0 . 4.14 247 224 A 32 ILE HB A 32 ILE H 1.0 . 3.40 248 225 A 32 ILE HB A 63 ASP HBy 1.0 . 3.90 249 226 A 32 ILE HB A 32 ILE HD1% 1.0 . 3.26 250 227 A 32 ILE H A 31 LEU HA 1.0 . 3.22 251 228 A 64 ILE H A 63 ASP HBy 1.0 . 3.77 252 229 A 64 ILE H A 63 ASP HBx 1.0 . 3.77 253 230 A 32 ILE HG2% A 63 ASP HBy 1.0 . 4.55 254 231 A 32 ILE HB A 63 ASP HBx 1.0 . 3.90 255 232 A 32 ILE HG2% A 63 ASP HBx 1.0 . 4.55 256 233 A 63 ASP H A 62 LEU HA 1.0 . 3.15 257 234 A 63 ASP H A 62 LEU HBx 1.0 . 4.74 258 235 A 63 ASP H A 62 LEU HBy 1.0 . 4.74 259 236 A 80 PHE HD% A 62 LEU HBx 1.0 . 5.50 260 237 A 80 PHE HD% A 62 LEU HBy 1.0 . 5.50 261 238 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.86 262 239 A 37 ARG H A 37 ARG HGx 1.0 . 4.70 263 240 A 80 PHE HE% A 62 LEU HDx% 1.0 . 4.56 264 241 A 62 LEU HBy A 62 LEU HDx% 1.0 . 3.86 265 242 A 80 PHE HD% A 62 LEU HDy% 1.0 . 4.46 266 243 A 33 GLU HGy A 62 LEU HDy% 1.0 . 4.48 267 243 A 62 LEU HDy% A 33 GLU HGx 1.0 . 4.48 268 244 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.86 269 245 A 31 LEU HDx% A 62 LEU HDy% 1.0 . 3.57 270 246 A 31 LEU HDy% A 62 LEU HDy% 1.0 . 3.80 271 247 A 32 ILE HG1x A 37 ARG HDx 1.0 . 3.95 272 247 A 37 ARG HDy A 32 ILE HG1x 1.0 . 3.95 273 248 A 64 ILE HA A 64 ILE HG1x 1.0 . 4.15 274 249 A 32 ILE H A 32 ILE HG1x 1.0 . 4.01 275 250 A 32 ILE H A 32 ILE HG1y 1.0 . 4.80 276 251 A 70 HIS HE2 A 68 VAL HB 1.0 . 3.45 277 252 A 51 VAL HA A 51 VAL HGy% 1.0 . 3.15 278 253 A 52 GLN H A 51 VAL HGy% 1.0 . 4.58 279 254 A 77 HIS HBy A 73 ILE HA 1.0 . 4.96 280 255 A 73 ILE HA A 31 LEU HDx% 1.0 . 4.62 281 256 A 32 ILE HG2% A 35 GLY HAy 1.0 . 3.65 282 257 A 32 ILE HG2% A 35 GLY HAx 1.0 . 4.21 283 258 A 27 GLN HA A 27 GLN HGx 1.0 . 3.44 284 258 A 27 GLN HGy A 27 GLN HA 1.0 . 3.44 285 259 A 27 GLN H A 27 GLN HBy 1.0 . 3.92 286 260 A 27 GLN H A 27 GLN HGx 1.0 . 4.12 287 260 A 27 GLN H A 27 GLN HGy 1.0 . 4.12 288 261 A 72 TYR HD% A 27 GLN HGx 1.0 . 4.29 289 261 A 27 GLN HGy A 72 TYR HD% 1.0 . 4.29 290 262 A 28 SER HA A 28 SER HBx 1.0 . 2.87 291 262 A 28 SER HA A 28 SER HBy 1.0 . 2.87 292 263 A 29 CYS HBx A 28 SER HBx 1.0 . 4.51 293 263 A 29 CYS HBx A 28 SER HBy 1.0 . 4.51 294 264 A 29 CYS HA A 42 ALA HB% 1.0 . 3.71 295 265 A 74 CYS H A 29 CYS HA 1.0 . 4.46 296 266 A 74 CYS H A 29 CYS HBy 1.0 . 3.70 297 267 A 74 CYS H A 29 CYS HBx 1.0 . 4.55 298 268 A 29 CYS HBx A 29 CYS H 1.0 . 3.37 299 269 A 29 CYS H A 29 CYS HBy 1.0 . 3.36 300 270 A 73 ILE HA A 29 CYS HBy 1.0 . 4.51 301 271 A 73 ILE HA A 29 CYS HBx 1.0 . 4.94 302 272 A 40 ARG HBy A 29 CYS HBy 1.0 . 4.73 303 273 A 70 HIS HE2 A 30 CYS HA 1.0 . 3.74 304 274 A 70 HIS HE2 A 30 CYS HBy 1.0 . 3.96 305 275 A 70 HIS HE2 A 30 CYS HBx 1.0 . 3.96 306 276 A 32 ILE H A 31 LEU HBy 1.0 . 4.25 307 277 A 31 LEU HDy% A 31 LEU HBx 1.0 . 3.96 308 278 A 31 LEU HDx% A 31 LEU HBy 1.0 . 3.51 309 279 A 31 LEU HDy% A 31 LEU HBy 1.0 . 3.96 310 280 A 64 ILE HD1% A 31 LEU HG 1.0 . 4.54 311 281 A 31 LEU H A 31 LEU HG 1.0 . 3.83 312 282 A 31 LEU H A 31 LEU HDx% 1.0 . 3.94 313 283 A 31 LEU HDx% A 47 PHE HE% 1.0 . 4.78 314 284 A 31 LEU HDx% A 31 LEU HA 1.0 . 4.53 315 285 A 31 LEU HDx% A 31 LEU HBx 1.0 . 3.51 316 286 A 31 LEU HDy% A 32 ILE H 1.0 . 3.91 317 287 A 31 LEU HDy% A 31 LEU HA 1.0 . 3.29 318 288 A 31 LEU HDy% A 62 LEU HDx% 1.0 . 3.80 319 289 A 31 LEU HDy% A 81 ILE HD1% 1.0 . 4.17 320 290 A 64 ILE HD1% A 31 LEU HDy% 1.0 . 3.45 321 291 A 33 GLU H A 32 ILE HA 1.0 . 2.78 322 292 A 64 ILE HD1% A 64 ILE HA 1.0 . 3.54 323 293 A 31 LEU HDy% A 64 ILE HA 1.0 . 3.75 324 294 A 64 ILE HA A 64 ILE HG1y 1.0 . 4.15 325 295 A 32 ILE HB A 31 LEU HA 1.0 . 4.67 326 296 A 64 ILE H A 64 ILE HG2% 1.0 . 3.91 327 297 A 64 ILE HG2% A 31 LEU HA 1.0 . 4.28 328 298 A 81 ILE H A 73 ILE HD1% 1.0 . 4.91 329 299 A 33 GLU HA A 33 GLU HGx 1.0 . 3.33 330 299 A 33 GLU HGy A 33 GLU HA 1.0 . 3.33 331 300 A 32 ILE H A 33 GLU HBy 1.0 . 4.70 332 301 A 35 GLY H A 34 ASP HA 1.0 . 3.19 333 302 A 37 ARG HA A 37 ARG HDx 1.0 . 3.35 334 302 A 37 ARG HA A 37 ARG HDy 1.0 . 3.35 335 303 A 37 ARG HA A 32 ILE HG1x 1.0 . 4.31 336 304 A 50 ARG HDy A 50 ARG HBy 1.0 . 3.66 337 304 A 50 ARG HBy A 50 ARG HDx 1.0 . 3.66 338 305 A 37 ARG H A 37 ARG HGy 1.0 . 4.70 339 306 A 32 ILE HG1y A 37 ARG HDx 1.0 . 3.79 340 306 A 32 ILE HG1y A 37 ARG HDy 1.0 . 3.79 341 307 A 37 ARG HDy A 65 ASP HBx 1.0 . 4.40 342 307 A 37 ARG HDx A 65 ASP HBx 1.0 . 4.40 343 308 A 38 CYS H A 37 ARG HDx 1.0 . 3.93 344 308 A 38 CYS H A 37 ARG HDy 1.0 . 3.93 345 309 A 39 VAL H A 38 CYS HA 1.0 . 2.98 346 310 A 77 HIS HE1 A 38 CYS HBy 1.0 . 3.95 347 311 A 77 HIS HE1 A 38 CYS HBx 1.0 . 3.95 348 312 A 31 LEU HBy A 38 CYS HBy 1.0 . 5.17 349 313 A 38 CYS HBx A 31 LEU HBy 1.0 . 5.17 350 314 A 31 LEU HBx A 38 CYS HBx 1.0 . 5.17 351 315 A 31 LEU HBx A 38 CYS HBy 1.0 . 5.17 352 316 A 39 VAL HA A 39 VAL HGx% 1.0 . 4.09 353 317 A 29 CYS HBx A 40 ARG HBy 1.0 . 4.45 354 318 A 82 GLN H A 79 ASN HA 1.0 . 4.25 355 319 A 40 ARG HA A 41 PRO HDy 1.0 . 3.17 356 320 A 40 ARG HBy A 40 ARG HDy 1.0 . 4.00 357 321 A 42 ALA H A 41 PRO HBy 1.0 . 4.35 358 322 A 41 PRO HA A 28 SER HA 1.0 . 3.73 359 323 A 74 CYS H A 42 ALA HA 1.0 . 4.84 360 324 A 42 ALA HA A 43 GLY HAy 1.0 . 4.87 361 325 A 29 CYS HA A 42 ALA HA 1.0 . 4.62 362 326 A 75 ASP H A 42 ALA HA 1.0 . 4.79 363 327 A 42 ALA HB% A 72 TYR HD% 1.0 . 4.30 364 328 A 73 ILE HA A 42 ALA HB% 1.0 . 4.51 365 329 A 42 ALA HB% A 74 CYS HA 1.0 . 4.13 366 330 A 42 ALA HB% A 74 CYS HBx 1.0 . 4.65 367 331 A 42 ALA HB% A 27 GLN HGx 1.0 . 3.81 368 331 A 42 ALA HB% A 27 GLN HGy 1.0 . 3.81 369 332 A 45 ALA HB% A 46 SER H 1.0 . 3.72 370 333 A 45 ALA HB% A 73 ILE H 1.0 . 4.89 371 334 A 78 LYS HA A 45 ALA HB% 1.0 . 4.25 372 335 A 45 ALA HB% A 78 LYS HEx 1.0 . 4.00 373 335 A 45 ALA HB% A 78 LYS HEy 1.0 . 4.00 374 336 A 45 ALA HB% A 73 ILE HB 1.0 . 4.53 375 337 A 78 LYS HBx A 45 ALA HB% 1.0 . 4.70 376 338 A 45 ALA HB% A 73 ILE HD1% 1.0 . 3.41 377 339 A 46 SER HA A 47 PHE HBx 1.0 . 5.18 378 340 A 73 ILE HG1x A 46 SER HA 1.0 . 4.79 379 341 A 46 SER HA A 73 ILE HG2% 1.0 . 4.14 380 342 A 46 SER H A 46 SER HBy 1.0 . 4.12 381 343 A 46 SER H A 46 SER HBx 1.0 . 4.12 382 344 A 72 TYR HA A 46 SER HBx 1.0 . 4.44 383 345 A 72 TYR HA A 46 SER HBy 1.0 . 4.44 384 346 A 71 LEU HBy A 46 SER HBy 1.0 . 4.42 385 347 A 47 PHE HBy A 71 LEU HBx 1.0 . 4.29 386 348 A 47 PHE HBx A 71 LEU HBx 1.0 . 3.79 387 349 A 71 LEU HBy A 47 PHE HBx 1.0 . 4.48 388 350 A 71 LEU HBy A 47 PHE HBy 1.0 . 5.50 389 351 A 73 ILE HG2% A 47 PHE HBy 1.0 . 3.29 390 352 A 47 PHE HBy A 71 LEU HDx% 1.0 . 5.41 391 352 A 71 LEU HDy% A 47 PHE HBy 1.0 . 5.41 392 353 A 64 ILE HD1% A 47 PHE HBy 1.0 . 4.27 393 354 A 73 ILE HD1% A 47 PHE HBy 1.0 . 4.78 394 355 A 64 ILE HD1% A 47 PHE HBx 1.0 . 4.25 395 356 A 47 PHE HBx A 71 LEU HDx% 1.0 . 3.54 396 356 A 71 LEU HDy% A 47 PHE HBx 1.0 . 3.54 397 357 A 31 LEU HDy% A 47 PHE HBx 1.0 . 4.73 398 358 A 31 LEU HDy% A 47 PHE HBy 1.0 . 4.70 399 359 A 47 PHE HD% A 71 LEU HBx 1.0 . 4.79 400 360 A 76 PHE H A 76 PHE HD% 1.0 . 4.49 401 361 A 47 PHE HE% A 52 GLN HA 1.0 . 4.95 402 362 A 70 HIS HBy A 72 TYR HE% 1.0 . 4.29 403 363 A 47 PHE HZ A 52 GLN HGx 1.0 . 4.52 404 363 A 52 GLN HGy A 47 PHE HZ 1.0 . 4.52 405 364 A 48 SER HA A 71 LEU HDx% 1.0 . 3.72 406 364 A 71 LEU HDy% A 48 SER HA 1.0 . 3.72 407 365 A 52 GLN H A 49 LYS HA 1.0 . 4.01 408 366 A 49 LYS HA A 49 LYS HGx 1.0 . 3.98 409 367 A 50 ARG HDy A 50 ARG HBx 1.0 . 3.66 410 367 A 50 ARG HBx A 50 ARG HDx 1.0 . 3.66 411 368 A 51 VAL HA A 54 SER HBy 1.0 . 3.76 412 369 A 54 SER HBx A 51 VAL HA 1.0 . 4.01 413 370 A 51 VAL HA A 51 VAL HGx% 1.0 . 3.15 414 371 A 51 VAL HB A 48 SER H 1.0 . 3.57 415 372 A 47 PHE HA A 51 VAL HGx% 1.0 . 3.98 416 373 A 51 VAL H A 51 VAL HGx% 1.0 . 4.44 417 374 A 52 GLN H A 51 VAL HGx% 1.0 . 4.58 418 375 A 52 GLN HA A 52 GLN HGx 1.0 . 3.42 419 375 A 52 GLN HGy A 52 GLN HA 1.0 . 3.42 420 376 A 55 ILE H A 52 GLN HA 1.0 . 4.39 421 377 A 51 VAL H A 52 GLN HGx 1.0 . 4.83 422 377 A 51 VAL H A 52 GLN HGy 1.0 . 4.83 423 378 A 53 LYS HA A 53 LYS HDx 1.0 . 3.94 424 378 A 53 LYS HDy A 53 LYS HA 1.0 . 3.94 425 379 A 49 LYS HA A 49 LYS HDx 1.0 . 3.80 426 379 A 49 LYS HA A 49 LYS HDy 1.0 . 3.80 427 380 A 56 SER H A 55 ILE HB 1.0 . 4.00 428 381 A 52 GLN HA A 55 ILE HB 1.0 . 4.00 429 382 A 55 ILE HB A 52 GLN HGx 1.0 . 5.09 430 382 A 52 GLN HGy A 55 ILE HB 1.0 . 5.09 431 383 A 60 LEU HBy A 55 ILE HG2% 1.0 . 3.42 432 384 A 55 ILE HG2% A 60 LEU HA 1.0 . 5.07 433 385 A 55 ILE HG2% A 62 LEU H 1.0 . 4.29 434 386 A 47 PHE HE% A 55 ILE HG2% 1.0 . 4.59 435 387 A 56 SER H A 55 ILE HG2% 1.0 . 4.44 436 388 A 52 GLN HA A 55 ILE HD1% 1.0 . 3.61 437 389 A 55 ILE HD1% A 52 GLN HGx 1.0 . 4.59 438 389 A 52 GLN HGy A 55 ILE HD1% 1.0 . 4.59 439 390 A 55 ILE HD1% A 55 ILE HA 1.0 . 3.99 440 391 A 55 ILE H A 55 ILE HD1% 1.0 . 4.18 441 392 A 47 PHE HE% A 55 ILE HD1% 1.0 . 3.26 442 393 A 55 ILE HA A 55 ILE HG1x 1.0 . 4.22 443 394 A 55 ILE HA A 55 ILE HG1y 1.0 . 4.22 444 395 A 57 GLN H A 57 GLN HBy 1.0 . 4.17 445 396 A 58 LYS H A 57 GLN HBy 1.0 . 4.40 446 397 A 58 LYS H A 57 GLN HBx 1.0 . 4.40 447 398 A 82 GLN HA A 82 GLN HGy 1.0 . 3.89 448 399 A 81 ILE HG2% A 82 GLN HA 1.0 . 3.99 449 400 A 60 LEU HA A 60 LEU HDx% 1.0 . 2.87 450 400 A 60 LEU HDy% A 60 LEU HA 1.0 . 2.87 451 401 A 60 LEU HBy A 60 LEU H 1.0 . 3.99 452 402 A 60 LEU HA A 62 LEU H 1.0 . 4.64 453 403 A 60 LEU HBx A 62 LEU H 1.0 . 4.90 454 404 A 60 LEU H A 60 LEU HG 1.0 . 4.36 455 405 A 60 LEU HBy A 60 LEU HDx% 1.0 . 3.38 456 405 A 60 LEU HBy A 60 LEU HDy% 1.0 . 3.38 457 406 A 87 LYS HA A 87 LYS HGx 1.0 . 3.80 458 406 A 87 LYS HA A 87 LYS HGy 1.0 . 3.80 459 407 A 89 LYS HA A 89 LYS HGx 1.0 . 4.05 460 407 A 89 LYS HGy A 89 LYS HA 1.0 . 4.05 461 408 A 80 PHE HE% A 62 LEU HDy% 1.0 . 4.56 462 409 A 31 LEU HDy% A 64 ILE HG1x 1.0 . 4.87 463 410 A 47 PHE HD% A 64 ILE HG2% 1.0 . 4.31 464 411 A 64 ILE HA A 65 ASP HBx 1.0 . 4.92 465 412 A 37 ARG HDy A 65 ASP HBy 1.0 . 4.40 466 412 A 65 ASP HBy A 37 ARG HDx 1.0 . 4.40 467 413 A 73 ILE HA A 74 CYS HA 1.0 . 5.01 468 414 A 31 LEU HDy% A 73 ILE HB 1.0 . 4.99 469 415 A 78 LYS H A 73 ILE HG1x 1.0 . 4.69 470 416 A 73 ILE HG2% A 47 PHE HA 1.0 . 4.12 471 417 A 73 ILE HG2% A 31 LEU HG 1.0 . 3.23 472 418 A 30 CYS H A 73 ILE HG2% 1.0 . 4.09 473 419 A 32 ILE H A 32 ILE HD1% 1.0 . 5.11 474 420 A 33 GLU H A 32 ILE HD1% 1.0 . 5.48 475 421 A 29 CYS H A 74 CYS HA 1.0 . 5.11 476 422 A 29 CYS HBx A 74 CYS HBx 1.0 . 3.79 477 423 A 42 ALA HA A 74 CYS HBx 1.0 . 4.26 478 424 A 74 CYS HBy A 42 ALA HA 1.0 . 4.33 479 425 A 75 ASP HA A 78 LYS HEx 1.0 . 4.52 480 425 A 75 ASP HA A 78 LYS HEy 1.0 . 4.52 481 426 A 81 ILE H A 77 HIS HA 1.0 . 4.35 482 427 A 80 PHE HD% A 77 HIS HA 1.0 . 4.38 483 428 A 31 LEU HDx% A 77 HIS HA 1.0 . 4.63 484 429 A 78 LYS HBx A 79 ASN HBy 1.0 . 5.50 485 430 A 82 GLN HBy A 79 ASN HBy 1.0 . 5.50 486 430 A 79 ASN HBy A 82 GLN HBx 1.0 . 5.50 487 431 A 80 PHE HBy A 60 LEU HDx% 1.0 . 5.50 488 431 A 80 PHE HBy A 60 LEU HDy% 1.0 . 5.50 489 432 A 81 ILE HA A 83 SER HBx 1.0 . 5.09 490 432 A 83 SER HBy A 81 ILE HA 1.0 . 5.09 491 433 A 81 ILE HD1% A 55 ILE HA 1.0 . 5.50 492 434 A 81 ILE HG2% A 54 SER HBx 1.0 . 3.54 493 435 A 84 VAL HA A 84 VAL HGx% 1.0 . 3.28 494 436 A 84 VAL HB A 81 ILE HA 1.0 . 5.50 495 437 A 58 LYS HEx A 84 VAL HGy% 1.0 . 4.50 496 437 A 58 LYS HEy A 84 VAL HGy% 1.0 . 4.50 497 438 A 84 VAL H A 84 VAL HGy% 1.0 . 4.10 498 439 A 85 ARG H A 84 VAL HGy% 1.0 . 4.43 499 440 A 85 ARG H A 84 VAL HGx% 1.0 . 4.43 500 441 A 85 ARG HA A 85 ARG HDx 1.0 . 3.84 501 441 A 85 ARG HA A 85 ARG HDy 1.0 . 3.84 502 442 A 85 ARG HDy A 85 ARG HBy 1.0 . 3.57 503 442 A 85 ARG HBy A 85 ARG HDx 1.0 . 3.57 504 443 A 85 ARG HDy A 85 ARG HBx 1.0 . 3.57 505 443 A 85 ARG HBx A 85 ARG HDx 1.0 . 3.57 506 444 A 81 ILE HA A 60 LEU HDx% 1.0 . 3.90 507 444 A 60 LEU HDy% A 81 ILE HA 1.0 . 3.90 508 445 A 60 LEU HBx A 60 LEU HDx% 1.0 . 3.14 509 445 A 60 LEU HBx A 60 LEU HDy% 1.0 . 3.14 510 446 A 54 SER HBy A 51 VAL HGx% 1.0 . 5.50 511 447 A 38 CYS HA A 39 VAL HGx% 1.0 . 3.99 512 448 A 56 SER HA A 55 ILE HG2% 1.0 . 4.28 513 449 A 56 SER H A 56 SER HBx 1.0 . 3.50 514 449 A 56 SER H A 56 SER HBy 1.0 . 3.50 515 450 A 57 GLN H A 56 SER HBx 1.0 . 4.39 516 450 A 57 GLN H A 56 SER HBy 1.0 . 4.39 517 451 A 55 ILE HA A 60 LEU HG 1.0 . 4.56 518 452 A 73 ILE HG1x A 73 ILE HG2% 1.0 . 3.52 519 453 A 29 CYS HA A 73 ILE HG2% 1.0 . 4.47 520 454 A 60 LEU H A 55 ILE HG2% 1.0 . 4.22 521 455 A 55 ILE H A 55 ILE HG2% 1.0 . 4.09 522 456 A 46 SER HA A 72 TYR HE% 1.0 . 4.93 523 457 A 62 LEU HG A 77 HIS HD2 1.0 . 5.16 524 458 A 52 GLN HA A 47 PHE HZ 1.0 . 4.71 525 459 A 73 ILE H A 72 TYR HD% 1.0 . 4.76 526 460 A 80 PHE HD% A 77 HIS HD2 1.0 . 4.21 527 461 A 73 ILE HG1y A 72 TYR HA 1.0 . 4.22 528 462 A 71 LEU HBy A 71 LEU HDx% 1.0 . 3.24 529 462 A 71 LEU HDy% A 71 LEU HBy 1.0 . 3.24 530 463 A 71 LEU HBx A 71 LEU HDx% 1.0 . 3.39 531 463 A 71 LEU HDy% A 71 LEU HBx 1.0 . 3.39 532 464 A 71 LEU HBy A 46 SER HBx 1.0 . 4.42 533 465 A 47 PHE HBx A 71 LEU HG 1.0 . 5.44 534 466 A 70 HIS HBy A 71 LEU HG 1.0 . 5.50 535 467 A 42 ALA H A 41 PRO HBx 1.0 . 4.35 536 468 A 38 CYS HA A 39 VAL HGy% 1.0 . 3.99 537 469 A 31 LEU HDy% A 64 ILE HG2% 1.0 . 4.33 538 470 A 72 TYR HE% A 46 SER HBy 1.0 . 5.27 539 471 A 62 LEU HG A 80 PHE HE% 1.0 . 5.50 540 472 A 80 PHE HZ A 60 LEU HDx% 1.0 . 4.30 541 472 A 60 LEU HDy% A 80 PHE HZ 1.0 . 4.30 542 473 A 87 LYS HA A 86 ASN HBy 1.0 . 5.05 543 474 A 87 LYS HA A 86 ASN HBx 1.0 . 5.05 544 475 A 26 GLY H A 25 TYR HBx 1.0 . 5.14 545 476 A 25 TYR HA A 25 TYR HD% 1.0 . 3.60 546 477 A 28 SER H A 27 GLN HA 1.0 . 3.05 547 478 A 28 SER H A 27 GLN HBx 1.0 . 4.74 548 479 A 28 SER H A 28 SER HBx 1.0 . 3.52 549 479 A 28 SER H A 28 SER HBy 1.0 . 3.52 550 480 A 29 CYS HA A 70 HIS HE1 1.0 . 5.50 551 481 A 31 LEU H A 31 LEU HBy 1.0 . 4.08 552 482 A 31 LEU H A 31 LEU HBx 1.0 . 4.08 553 483 A 31 LEU HDy% A 47 PHE HE% 1.0 . 4.48 554 484 A 31 LEU HDy% A 47 PHE HZ 1.0 . 5.12 555 485 A 32 ILE HA A 32 ILE HD1% 1.0 . 4.23 556 486 A 32 ILE HD1% A 35 GLY HAy 1.0 . 4.84 557 487 A 37 ARG HA A 32 ILE HD1% 1.0 . 4.57 558 488 A 32 ILE HA A 32 ILE HG1x 1.0 . 3.83 559 489 A 32 ILE HG1y A 32 ILE HA 1.0 . 4.03 560 490 A 33 GLU HBx A 77 HIS HE1 1.0 . 5.50 561 491 A 34 ASP H A 33 GLU HA 1.0 . 3.20 562 492 A 37 ARG H A 37 ARG HBy 1.0 . 3.57 563 493 A 37 ARG H A 37 ARG HBx 1.0 . 3.57 564 494 A 38 CYS H A 37 ARG HA 1.0 . 3.10 565 495 A 38 CYS H A 38 CYS HBy 1.0 . 3.58 566 496 A 38 CYS H A 38 CYS HBx 1.0 . 3.58 567 497 A 40 ARG H A 40 ARG HBx 1.0 . 4.14 568 498 A 40 ARG HA A 41 PRO HDx 1.0 . 3.17 569 499 A 42 ALA H A 28 SER HBx 1.0 . 3.82 570 499 A 42 ALA H A 28 SER HBy 1.0 . 3.82 571 500 A 42 ALA H A 42 ALA HB% 1.0 . 3.04 572 501 A 42 ALA HB% A 70 HIS HE1 1.0 . 4.96 573 502 A 44 ASN H A 44 ASN HBy 1.0 . 4.17 574 503 A 44 ASN H A 44 ASN HBx 1.0 . 4.17 575 504 A 45 ALA HB% A 45 ALA H 1.0 . 3.11 576 505 A 46 SER HA A 72 TYR HA 1.0 . 3.41 577 506 A 47 PHE HD% A 47 PHE HA 1.0 . 3.94 578 507 A 31 LEU HDy% A 47 PHE HD% 1.0 . 3.81 579 508 A 73 ILE HG2% A 47 PHE HD% 1.0 . 3.79 580 509 A 48 SER H A 48 SER HBy 1.0 . 4.00 581 510 A 48 SER H A 48 SER HBx 1.0 . 4.00 582 511 A 49 LYS HA A 49 LYS HGy 1.0 . 3.98 583 512 A 50 ARG HA A 50 ARG HGy 1.0 . 3.95 584 513 A 50 ARG HA A 50 ARG HGx 1.0 . 3.95 585 514 A 51 VAL H A 50 ARG HBy 1.0 . 4.25 586 515 A 51 VAL H A 50 ARG HBx 1.0 . 4.25 587 516 A 52 GLN H A 52 GLN HBy 1.0 . 3.66 588 517 A 52 GLN H A 52 GLN HBx 1.0 . 3.66 589 518 A 52 GLN H A 52 GLN HGx 1.0 . 3.83 590 518 A 52 GLN H A 52 GLN HGy 1.0 . 3.83 591 519 A 53 LYS H A 52 GLN HBy 1.0 . 4.13 592 520 A 53 LYS H A 53 LYS HBy 1.0 . 3.59 593 521 A 53 LYS H A 53 LYS HBx 1.0 . 3.59 594 522 A 54 SER H A 54 SER HBy 1.0 . 3.54 595 523 A 55 ILE H A 55 ILE HB 1.0 . 3.53 596 524 A 55 ILE H A 55 ILE HG1y 1.0 . 3.96 597 525 A 55 ILE H A 55 ILE HG1x 1.0 . 3.96 598 526 A 55 ILE HG2% A 55 ILE HA 1.0 . 3.35 599 527 A 55 ILE HB A 55 ILE HD1% 1.0 . 3.21 600 528 A 57 GLN HA A 57 GLN HGy 1.0 . 3.95 601 529 A 57 GLN HA A 57 GLN HGx 1.0 . 3.95 602 530 A 58 LYS H A 58 LYS HBy 1.0 . 3.83 603 531 A 58 LYS HA A 58 LYS HDx 1.0 . 4.00 604 531 A 58 LYS HA A 58 LYS HDy 1.0 . 4.00 605 532 A 87 LYS HA A 87 LYS HDx 1.0 . 3.90 606 532 A 87 LYS HA A 87 LYS HDy 1.0 . 3.90 607 533 A 59 LYS H A 59 LYS HA 1.0 . 2.85 608 534 A 60 LEU HA A 60 LEU HG 1.0 . 4.13 609 535 A 62 LEU H A 61 LYS HA 1.0 . 3.29 610 536 A 62 LEU HA A 62 LEU HDy% 1.0 . 4.59 611 537 A 62 LEU HG A 62 LEU HA 1.0 . 4.18 612 538 A 64 ILE H A 64 ILE HG1y 1.0 . 4.28 613 539 A 64 ILE H A 64 ILE HG1x 1.0 . 4.28 614 540 A 64 ILE HG2% A 64 ILE HA 1.0 . 3.21 615 541 A 32 ILE HG2% A 32 ILE HA 1.0 . 3.66 616 542 A 65 ASP H A 65 ASP HBy 1.0 . 3.77 617 543 A 65 ASP H A 65 ASP HBx 1.0 . 3.77 618 544 A 66 LYS H A 66 LYS HBy 1.0 . 4.02 619 545 A 66 LYS H A 66 LYS HBx 1.0 . 4.02 620 546 A 66 LYS H A 66 LYS HGy 1.0 . 4.25 621 547 A 66 LYS H A 66 LYS HGx 1.0 . 4.25 622 548 A 67 SER H A 67 SER HBy 1.0 . 3.81 623 549 A 70 HIS HA A 70 HIS HD2 1.0 . 4.07 624 550 A 72 TYR HD% A 70 HIS HBy 1.0 . 4.61 625 551 A 70 HIS HD2 A 70 HIS HBx 1.0 . 3.89 626 552 A 72 TYR HBx A 70 HIS HE1 1.0 . 4.39 627 553 A 72 TYR HBy A 70 HIS HE1 1.0 . 4.15 628 554 A 71 LEU H A 70 HIS HBy 1.0 . 3.75 629 555 A 71 LEU H A 70 HIS HBx 1.0 . 4.16 630 556 A 71 LEU H A 71 LEU HG 1.0 . 4.12 631 557 A 71 LEU HA A 71 LEU HDx% 1.0 . 3.60 632 557 A 71 LEU HDy% A 71 LEU HA 1.0 . 3.60 633 558 A 72 TYR HA A 72 TYR HE% 1.0 . 4.30 634 559 A 72 TYR HD% A 72 TYR HA 1.0 . 3.72 635 560 A 73 ILE HA A 29 CYS HA 1.0 . 3.50 636 561 A 73 ILE HA A 73 ILE HG2% 1.0 . 3.20 637 562 A 73 ILE HD1% A 73 ILE HB 1.0 . 3.26 638 563 A 74 CYS H A 73 ILE HA 1.0 . 3.29 639 564 A 74 CYS H A 73 ILE HB 1.0 . 3.45 640 565 A 74 CYS H A 74 CYS HBx 1.0 . 3.96 641 566 A 75 ASP H A 74 CYS HA 1.0 . 3.07 642 567 A 75 ASP H A 75 ASP HBy 1.0 . 3.60 643 568 A 76 PHE HA A 76 PHE HD% 1.0 . 3.72 644 569 A 77 HIS H A 76 PHE HD% 1.0 . 4.37 645 570 A 77 HIS HBy A 77 HIS H 1.0 . 3.61 646 571 A 77 HIS HBx A 77 HIS H 1.0 . 3.89 647 572 A 77 HIS HD2 A 77 HIS HA 1.0 . 3.21 648 573 A 33 GLU HBy A 77 HIS HE1 1.0 . 4.79 649 574 A 78 LYS HA A 78 LYS HGx 1.0 . 3.92 650 575 A 79 ASN H A 79 ASN HBy 1.0 . 3.28 651 576 A 79 ASN H A 79 ASN HBx 1.0 . 3.28 652 577 A 80 PHE HD% A 80 PHE HA 1.0 . 3.82 653 578 A 81 ILE H A 80 PHE HBy 1.0 . 3.97 654 579 A 81 ILE H A 81 ILE HB 1.0 . 3.27 655 580 A 81 ILE HA A 81 ILE HD1% 1.0 . 4.05 656 581 A 81 ILE HG2% A 81 ILE HA 1.0 . 3.50 657 582 A 82 GLN H A 82 GLN HGy 1.0 . 4.47 658 583 A 82 GLN H A 82 GLN HGx 1.0 . 4.47 659 584 A 84 VAL HA A 84 VAL HGy% 1.0 . 3.28 660 585 A 85 ARG H A 85 ARG HBy 1.0 . 4.06 661 586 A 64 ILE HG2% A 66 LYS HDx 1.0 . 5.06 662 586 A 64 ILE HG2% A 66 LYS HDy 1.0 . 5.06 663 587 A 63 ASP HA A 32 ILE HG2% 1.0 . 5.21 664 588 A 32 ILE HG2% A 33 GLU HA 1.0 . 4.92 665 589 A 26 GLY H A 25 TYR HBy 1.0 . 5.14 666 590 A 27 GLN HA A 72 TYR HE% 1.0 . 5.50 667 591 A 72 TYR HE% A 27 GLN HGx 1.0 . 4.84 668 591 A 27 GLN HGy A 72 TYR HE% 1.0 . 4.84 669 592 A 83 SER H A 80 PHE HA 1.0 . 4.55 670 593 A 28 SER HA A 29 CYS HBy 1.0 . 4.70 671 594 A 29 CYS HBy A 28 SER HBx 1.0 . 4.62 672 594 A 28 SER HBy A 29 CYS HBy 1.0 . 4.62 673 595 A 74 CYS HA A 29 CYS HBy 1.0 . 4.72 674 596 A 70 HIS HBy A 71 LEU HA 1.0 . 4.95 675 597 A 42 ALA HB% A 29 CYS HBy 1.0 . 4.92 676 598 A 29 CYS HBx A 42 ALA HB% 1.0 . 5.38 677 599 A 64 ILE HD1% A 31 LEU HA 1.0 . 4.13 678 600 A 32 ILE HA A 31 LEU HBx 1.0 . 5.16 679 601 A 32 ILE H A 31 LEU HDx% 1.0 . 4.92 680 602 A 38 CYS H A 32 ILE HA 1.0 . 3.88 681 603 A 33 GLU HBx A 32 ILE HA 1.0 . 5.05 682 604 A 32 ILE HA A 37 ARG HDx 1.0 . 4.40 683 604 A 32 ILE HA A 37 ARG HDy 1.0 . 4.40 684 605 A 32 ILE HB A 62 LEU HA 1.0 . 5.45 685 606 A 81 ILE HG2% A 55 ILE H 1.0 . 4.67 686 607 A 32 ILE HD1% A 35 GLY HAx 1.0 . 5.41 687 608 A 46 SER HA A 73 ILE HD1% 1.0 . 4.84 688 609 A 73 ILE HD1% A 47 PHE HD% 1.0 . 4.38 689 610 A 32 ILE HD1% A 65 ASP HBy 1.0 . 4.14 690 611 A 63 ASP HA A 64 ILE HD1% 1.0 . 4.77 691 612 A 33 GLU HBy A 32 ILE HA 1.0 . 4.74 692 613 A 32 ILE H A 33 GLU HGx 1.0 . 5.50 693 613 A 33 GLU HGy A 32 ILE H 1.0 . 5.50 694 614 A 33 GLU HGy A 62 LEU HDx% 1.0 . 4.48 695 614 A 33 GLU HGx A 62 LEU HDx% 1.0 . 4.48 696 615 A 35 GLY H A 34 ASP HBx 1.0 . 4.85 697 616 A 36 GLU H A 36 GLU HGy 1.0 . 4.74 698 617 A 36 GLU H A 36 GLU HGx 1.0 . 4.74 699 618 A 32 ILE HG1y A 37 ARG HA 1.0 . 3.63 700 619 A 38 CYS H A 37 ARG HBx 1.0 . 4.87 701 620 A 37 ARG HDx A 39 VAL HGy% 1.0 . 5.50 702 620 A 37 ARG HDy A 39 VAL HGy% 1.0 . 5.50 703 621 A 32 ILE H A 37 ARG HDx 1.0 . 5.50 704 621 A 32 ILE H A 37 ARG HDy 1.0 . 5.50 705 622 A 39 VAL HB A 28 SER HBx 1.0 . 4.68 706 622 A 28 SER HBy A 39 VAL HB 1.0 . 4.68 707 623 A 39 VAL HGx% A 37 ARG HDx 1.0 . 5.50 708 623 A 37 ARG HDy A 39 VAL HGx% 1.0 . 5.50 709 624 A 39 VAL HGx% A 28 SER HBx 1.0 . 5.10 710 624 A 28 SER HBy A 39 VAL HGx% 1.0 . 5.10 711 625 A 39 VAL HA A 39 VAL HGy% 1.0 . 4.09 712 626 A 28 SER HBy A 39 VAL HGy% 1.0 . 5.10 713 626 A 28 SER HBx A 39 VAL HGy% 1.0 . 5.10 714 627 A 40 ARG HBy A 40 ARG HDx 1.0 . 4.00 715 628 A 40 ARG HBx A 40 ARG HDy 1.0 . 3.70 716 629 A 40 ARG HBx A 40 ARG HDx 1.0 . 3.70 717 630 A 40 ARG H A 40 ARG HDx 1.0 . 5.37 718 631 A 40 ARG H A 40 ARG HDy 1.0 . 5.37 719 632 A 46 SER HA A 47 PHE HBy 1.0 . 4.79 720 633 A 72 TYR HD% A 46 SER HBx 1.0 . 4.77 721 634 A 51 VAL HB A 47 PHE HA 1.0 . 3.91 722 635 A 47 PHE HE% A 52 GLN HBx 1.0 . 4.88 723 636 A 51 VAL H A 49 LYS HA 1.0 . 4.54 724 637 A 51 VAL HA A 50 ARG HA 1.0 . 4.91 725 638 A 50 ARG HA A 50 ARG HDx 1.0 . 4.47 726 638 A 50 ARG HDy A 50 ARG HA 1.0 . 4.47 727 639 A 54 SER HBy A 51 VAL HGy% 1.0 . 5.50 728 640 A 52 GLN HA A 55 ILE HG2% 1.0 . 4.75 729 641 A 53 LYS H A 52 GLN HBx 1.0 . 4.13 730 642 A 47 PHE HE% A 52 GLN HGx 1.0 . 4.27 731 642 A 52 GLN HGy A 47 PHE HE% 1.0 . 4.27 732 643 A 49 LYS HA A 52 GLN HGx 1.0 . 4.50 733 643 A 52 GLN HGy A 49 LYS HA 1.0 . 4.50 734 644 A 81 ILE HG2% A 54 SER HA 1.0 . 4.88 735 645 A 81 ILE HA A 55 ILE HG2% 1.0 . 5.50 736 646 A 54 SER HBx A 55 ILE HG2% 1.0 . 5.37 737 647 A 31 LEU HDy% A 55 ILE HD1% 1.0 . 3.92 738 648 A 31 LEU HDx% A 55 ILE HD1% 1.0 . 4.11 739 649 A 57 GLN H A 57 GLN HGy 1.0 . 5.06 740 650 A 57 GLN H A 57 GLN HGx 1.0 . 5.06 741 651 A 58 LYS HEy A 58 LYS HBy 1.0 . 4.61 742 651 A 58 LYS HBy A 58 LYS HEx 1.0 . 4.61 743 652 A 58 LYS HEy A 58 LYS HBx 1.0 . 4.61 744 652 A 58 LYS HBx A 58 LYS HEx 1.0 . 4.61 745 653 A 80 PHE HE% A 60 LEU HDx% 1.0 . 4.29 746 653 A 60 LEU HDy% A 80 PHE HE% 1.0 . 4.29 747 654 A 80 PHE HD% A 60 LEU HDx% 1.0 . 4.51 748 654 A 60 LEU HDy% A 80 PHE HD% 1.0 . 4.51 749 655 A 62 LEU HA A 62 LEU HDx% 1.0 . 4.59 750 656 A 55 ILE HA A 60 LEU HDx% 1.0 . 4.15 751 656 A 60 LEU HDy% A 55 ILE HA 1.0 . 4.15 752 657 A 55 ILE HB A 60 LEU HDx% 1.0 . 5.26 753 657 A 60 LEU HDy% A 55 ILE HB 1.0 . 5.26 754 658 A 33 GLU HBx A 62 LEU HA 1.0 . 5.40 755 659 A 62 LEU HBx A 62 LEU HDx% 1.0 . 3.86 756 660 A 31 LEU HDx% A 62 LEU HDx% 1.0 . 3.57 757 661 A 31 LEU HDy% A 64 ILE HG1y 1.0 . 4.87 758 662 A 64 ILE HA A 65 ASP HBy 1.0 . 4.92 759 663 A 72 TYR HE% A 70 HIS HBx 1.0 . 5.50 760 664 A 46 SER HA A 72 TYR HD% 1.0 . 4.69 761 665 A 72 TYR HD% A 70 HIS HE1 1.0 . 4.86 762 666 A 73 ILE HA A 31 LEU HG 1.0 . 4.73 763 667 A 73 ILE HG1y A 46 SER HA 1.0 . 4.80 764 668 A 40 ARG HBy A 74 CYS HA 1.0 . 5.16 765 669 A 78 LYS HBx A 75 ASP HBy 1.0 . 5.29 766 670 A 78 LYS HBx A 75 ASP HBx 1.0 . 5.29 767 671 A 73 ILE HD1% A 77 HIS HA 1.0 . 5.10 768 672 A 78 LYS HA A 73 ILE HG2% 1.0 . 5.08 769 673 A 80 PHE HBy A 76 PHE HD% 1.0 . 5.17 770 674 A 81 ILE H A 80 PHE HD% 1.0 . 4.81 771 675 A 81 ILE HG2% A 51 VAL HA 1.0 . 4.37 772 676 A 81 ILE HG2% A 55 ILE HA 1.0 . 4.05 773 677 A 82 GLN HBx A 83 SER HBx 1.0 . 4.54 774 677 A 82 GLN HBy A 83 SER HBx 1.0 . 4.54 775 677 A 83 SER HBy A 82 GLN HBx 1.0 . 4.54 776 677 A 83 SER HBy A 82 GLN HBy 1.0 . 4.54 777 678 A 81 ILE H A 82 GLN HBx 1.0 . 4.79 778 678 A 82 GLN HBy A 81 ILE H 1.0 . 4.79 779 679 A 81 ILE HG2% A 82 GLN HBx 1.0 . 5.21 780 679 A 82 GLN HBy A 81 ILE HG2% 1.0 . 5.21 781 680 A 83 SER HA A 82 GLN HBx 1.0 . 4.52 782 680 A 82 GLN HBy A 83 SER HA 1.0 . 4.52 783 681 A 58 LYS HEy A 84 VAL HGx% 1.0 . 4.50 784 681 A 84 VAL HGx% A 58 LYS HEx 1.0 . 4.50 785 682 A 84 VAL H A 84 VAL HGx% 1.0 . 4.10 786 683 A 87 LYS HBy A 86 ASN HBy 1.0 . 5.45 787 683 A 86 ASN HBy A 87 LYS HBx 1.0 . 5.45 788 684 A 87 LYS HDy A 86 ASN HBy 1.0 . 5.42 789 684 A 86 ASN HBy A 87 LYS HDx 1.0 . 5.42 790 685 A 87 LYS HDy A 86 ASN HBx 1.0 . 5.42 791 685 A 86 ASN HBx A 87 LYS HDx 1.0 . 5.42 792 686 A 87 LYS HBy A 86 ASN HBx 1.0 . 5.45 793 686 A 86 ASN HBx A 87 LYS HBx 1.0 . 5.45 794 687 A 77 HIS H A 73 ILE HB 1.0 . 5.29 795 688 A 29 CYS HA A 73 ILE HB 1.0 . 5.05 796 689 A 78 LYS H A 73 ILE HB 1.0 . 5.01 797 690 A 34 ASP H A 33 GLU HBy 1.0 . 5.15 798 691 A 34 ASP H A 33 GLU HBx 1.0 . 5.22 799 692 A 42 ALA H A 27 GLN HA 1.0 . 5.32 800 693 A 42 ALA HB% A 28 SER HA 1.0 . 3.80 801 694 A 42 ALA HA A 29 CYS HBy 1.0 . 4.94 802 695 A 29 CYS HBx A 38 CYS HA 1.0 . 4.62 803 696 A 29 CYS HBy A 40 ARG HA 1.0 . 5.17 804 697 A 74 CYS HBy A 29 CYS HBy 1.0 . 3.99 805 698 A 32 ILE HA A 31 LEU HBy 1.0 . 5.16 806 699 A 63 ASP HA A 31 LEU HDy% 1.0 . 4.95 807 700 A 35 GLY H A 33 GLU HA 1.0 . 4.83 808 701 A 58 LYS HEx A 58 LYS HGx 1.0 . 3.87 809 701 A 58 LYS HEy A 58 LYS HGx 1.0 . 3.87 810 702 A 58 LYS HEy A 58 LYS HGy 1.0 . 3.87 811 702 A 58 LYS HGy A 58 LYS HEx 1.0 . 3.87 812 703 A 58 LYS H A 58 LYS HGy 1.0 . 5.08 813 704 A 59 LYS H A 58 LYS HGy 1.0 . 5.50 814 705 A 58 LYS H A 58 LYS HGx 1.0 . 5.08 815 706 A 76 PHE H A 40 ARG HDx 1.0 . 5.10 816 707 A 42 ALA HA A 43 GLY HAx 1.0 . 4.87 817 708 A 77 HIS HBx A 45 ALA HB% 1.0 . 5.50 818 709 A 72 TYR HE% A 46 SER HBx 1.0 . 5.27 819 710 A 47 PHE HBx A 71 LEU HA 1.0 . 4.94 820 711 A 75 ASP HA A 73 ILE HG1x 1.0 . 4.77 821 712 A 47 PHE HE% A 52 GLN HBy 1.0 . 4.88 822 713 A 54 SER HA A 53 LYS HBy 1.0 . 5.50 823 714 A 54 SER HA A 53 LYS HBx 1.0 . 5.50 824 715 A 54 SER HBx A 55 ILE HD1% 1.0 . 4.84 825 716 A 58 LYS H A 56 SER HBx 1.0 . 4.29 826 716 A 58 LYS H A 56 SER HBy 1.0 . 4.29 827 717 A 55 ILE H A 56 SER HBx 1.0 . 4.38 828 717 A 55 ILE H A 56 SER HBy 1.0 . 4.38 829 718 A 47 PHE HA A 51 VAL HGy% 1.0 . 3.98 830 719 A 78 LYS H A 78 LYS HGy 1.0 . 5.30 831 720 A 80 PHE HD% A 83 SER HBx 1.0 . 4.98 832 720 A 83 SER HBy A 80 PHE HD% 1.0 . 4.98 833 721 A 81 ILE HG2% A 80 PHE HBx 1.0 . 5.50 834 722 A 80 PHE H A 76 PHE HA 1.0 . 5.33 835 723 A 76 PHE H A 40 ARG HDy 1.0 . 5.10 836 724 A 77 HIS HD2 A 62 LEU HDx% 1.0 . 4.03 837 725 A 80 PHE HBy A 77 HIS HD2 1.0 . 4.27 838 726 A 77 HIS HD2 A 62 LEU HDy% 1.0 . 4.03 839 727 A 25 TYR H A 25 TYR HBx 1.0 . 3.56 840 727 A 25 TYR H A 25 TYR HBy 1.0 . 3.56 841 728 A 27 GLN HA A 26 GLY HAy 1.0 . 4.63 842 728 A 27 GLN HA A 26 GLY HAx 1.0 . 4.63 843 729 A 26 GLY HAy A 27 GLN HBx 1.0 . 4.41 844 729 A 26 GLY HAx A 27 GLN HBx 1.0 . 4.41 845 729 A 27 GLN HBy A 26 GLY HAy 1.0 . 4.41 846 729 A 26 GLY HAx A 27 GLN HBy 1.0 . 4.41 847 730 A 27 GLN H A 27 GLN HBx 1.0 . 3.24 848 730 A 27 GLN H A 27 GLN HBy 1.0 . 3.24 849 731 A 28 SER H A 27 GLN HBx 1.0 . 3.99 850 731 A 28 SER H A 27 GLN HBy 1.0 . 3.99 851 732 A 27 GLN HBx A 28 SER HBx 1.0 . 5.34 852 732 A 27 GLN HBy A 28 SER HBx 1.0 . 5.34 853 732 A 28 SER HBy A 27 GLN HBx 1.0 . 5.34 854 732 A 28 SER HBy A 27 GLN HBy 1.0 . 5.34 855 733 A 42 ALA HB% A 27 GLN HBx 1.0 . 3.56 856 733 A 42 ALA HB% A 27 GLN HBy 1.0 . 3.56 857 734 A 28 SER HA A 41 PRO HBx 1.0 . 5.34 858 734 A 28 SER HA A 41 PRO HBy 1.0 . 5.34 859 735 A 28 SER HBy A 39 VAL HGy% 1.0 . 4.23 860 735 A 28 SER HBx A 39 VAL HGy% 1.0 . 4.23 861 735 A 39 VAL HGx% A 28 SER HBx 1.0 . 4.23 862 735 A 28 SER HBy A 39 VAL HGx% 1.0 . 4.23 863 736 A 30 CYS H A 30 CYS HBy 1.0 . 3.55 864 736 A 30 CYS H A 30 CYS HBx 1.0 . 3.55 865 737 A 31 LEU H A 30 CYS HBy 1.0 . 4.21 866 737 A 31 LEU H A 30 CYS HBx 1.0 . 4.21 867 738 A 64 ILE HG2% A 30 CYS HBy 1.0 . 4.18 868 738 A 64 ILE HG2% A 30 CYS HBx 1.0 . 4.18 869 739 A 64 ILE HD1% A 30 CYS HBy 1.0 . 4.61 870 739 A 64 ILE HD1% A 30 CYS HBx 1.0 . 4.61 871 740 A 70 HIS HE1 A 30 CYS HBy 1.0 . 4.29 872 740 A 70 HIS HE1 A 30 CYS HBx 1.0 . 4.29 873 741 A 70 HIS HE2 A 30 CYS HBy 1.0 . 3.44 874 741 A 70 HIS HE2 A 30 CYS HBx 1.0 . 3.44 875 742 A 71 LEU HA A 30 CYS HBy 1.0 . 4.49 876 742 A 71 LEU HA A 30 CYS HBx 1.0 . 4.49 877 743 A 73 ILE HG2% A 30 CYS HBy 1.0 . 4.73 878 743 A 73 ILE HG2% A 30 CYS HBx 1.0 . 4.73 879 744 A 31 LEU H A 31 LEU HBy 1.0 . 3.32 880 744 A 31 LEU H A 31 LEU HBx 1.0 . 3.32 881 745 A 31 LEU H A 38 CYS HBy 1.0 . 4.05 882 745 A 31 LEU H A 38 CYS HBx 1.0 . 4.05 883 746 A 31 LEU HA A 62 LEU HDx% 1.0 . 4.80 884 746 A 31 LEU HA A 62 LEU HDy% 1.0 . 4.80 885 747 A 32 ILE H A 31 LEU HBy 1.0 . 3.58 886 747 A 32 ILE H A 31 LEU HBx 1.0 . 3.58 887 748 A 31 LEU HBx A 38 CYS HBy 1.0 . 3.70 888 748 A 38 CYS HBx A 31 LEU HBy 1.0 . 3.70 889 748 A 31 LEU HBx A 38 CYS HBx 1.0 . 3.70 890 748 A 31 LEU HBy A 38 CYS HBy 1.0 . 3.70 891 749 A 31 LEU HDx% A 62 LEU HBy 1.0 . 4.57 892 749 A 31 LEU HDx% A 62 LEU HBx 1.0 . 4.57 893 750 A 31 LEU HDx% A 62 LEU HDx% 1.0 . 3.10 894 750 A 31 LEU HDx% A 62 LEU HDy% 1.0 . 3.10 895 751 A 31 LEU HDy% A 62 LEU HBy 1.0 . 3.69 896 751 A 31 LEU HDy% A 62 LEU HBx 1.0 . 3.69 897 752 A 31 LEU HDy% A 64 ILE HG1x 1.0 . 4.13 898 752 A 31 LEU HDy% A 64 ILE HG1y 1.0 . 4.13 899 753 A 32 ILE H A 62 LEU HDx% 1.0 . 3.86 900 753 A 32 ILE H A 62 LEU HDy% 1.0 . 3.86 901 754 A 32 ILE HA A 38 CYS HBy 1.0 . 4.44 902 754 A 32 ILE HA A 38 CYS HBx 1.0 . 4.44 903 755 A 32 ILE HB A 63 ASP HBx 1.0 . 3.28 904 755 A 32 ILE HB A 63 ASP HBy 1.0 . 3.28 905 756 A 32 ILE HG2% A 63 ASP HBx 1.0 . 4.00 906 756 A 32 ILE HG2% A 63 ASP HBy 1.0 . 4.00 907 757 A 32 ILE HG1y A 37 ARG HBx 1.0 . 3.98 908 757 A 32 ILE HG1y A 37 ARG HBy 1.0 . 3.98 909 758 A 32 ILE HG1y A 65 ASP HBx 1.0 . 4.60 910 758 A 32 ILE HG1y A 65 ASP HBy 1.0 . 4.60 911 759 A 32 ILE HG1x A 65 ASP HBx 1.0 . 3.71 912 759 A 32 ILE HG1x A 65 ASP HBy 1.0 . 3.71 913 760 A 32 ILE HD1% A 37 ARG HGx 1.0 . 4.74 914 760 A 32 ILE HD1% A 37 ARG HGy 1.0 . 4.74 915 761 A 32 ILE HD1% A 63 ASP HBx 1.0 . 4.07 916 761 A 32 ILE HD1% A 63 ASP HBy 1.0 . 4.07 917 762 A 32 ILE HD1% A 65 ASP HBx 1.0 . 3.43 918 762 A 32 ILE HD1% A 65 ASP HBy 1.0 . 3.43 919 763 A 33 GLU HA A 62 LEU HDx% 1.0 . 3.56 920 763 A 33 GLU HA A 62 LEU HDy% 1.0 . 3.56 921 764 A 33 GLU HBy A 62 LEU HDx% 1.0 . 3.16 922 764 A 33 GLU HBy A 62 LEU HDy% 1.0 . 3.16 923 765 A 33 GLU HBx A 62 LEU HDx% 1.0 . 4.00 924 765 A 33 GLU HBx A 62 LEU HDy% 1.0 . 4.00 925 766 A 33 GLU HGy A 34 ASP HBx 1.0 . 3.74 926 766 A 33 GLU HGx A 34 ASP HBx 1.0 . 3.74 927 766 A 34 ASP HBy A 33 GLU HGx 1.0 . 3.74 928 766 A 33 GLU HGy A 34 ASP HBy 1.0 . 3.74 929 767 A 33 GLU HGy A 62 LEU HDx% 1.0 . 3.19 930 767 A 33 GLU HGx A 62 LEU HDx% 1.0 . 3.19 931 767 A 62 LEU HDy% A 33 GLU HGx 1.0 . 3.19 932 767 A 33 GLU HGy A 62 LEU HDy% 1.0 . 3.19 933 768 A 34 ASP H A 34 ASP HBx 1.0 . 3.62 934 768 A 34 ASP H A 34 ASP HBy 1.0 . 3.62 935 769 A 34 ASP H A 36 GLU HBx 1.0 . 5.34 936 769 A 34 ASP H A 36 GLU HBy 1.0 . 5.34 937 770 A 34 ASP H A 61 LYS HBy 1.0 . 4.04 938 770 A 34 ASP H A 61 LYS HBx 1.0 . 4.04 939 771 A 34 ASP HBx A 36 GLU HBx 1.0 . 4.30 940 771 A 34 ASP HBy A 36 GLU HBx 1.0 . 4.30 941 771 A 36 GLU HBy A 34 ASP HBx 1.0 . 4.30 942 771 A 34 ASP HBy A 36 GLU HBy 1.0 . 4.30 943 772 A 34 ASP HBy A 61 LYS HBy 1.0 . 4.96 944 772 A 34 ASP HBx A 61 LYS HBy 1.0 . 4.96 945 772 A 61 LYS HBx A 34 ASP HBx 1.0 . 4.96 946 772 A 34 ASP HBy A 61 LYS HBx 1.0 . 4.96 947 773 A 34 ASP HBx A 61 LYS HDx 1.0 . 4.14 948 773 A 34 ASP HBy A 61 LYS HDx 1.0 . 4.14 949 773 A 61 LYS HDy A 34 ASP HBx 1.0 . 4.14 950 773 A 34 ASP HBy A 61 LYS HDy 1.0 . 4.14 951 774 A 36 GLU H A 36 GLU HBx 1.0 . 3.13 952 774 A 36 GLU H A 36 GLU HBy 1.0 . 3.13 953 775 A 36 GLU H A 36 GLU HGx 1.0 . 4.17 954 775 A 36 GLU H A 36 GLU HGy 1.0 . 4.17 955 776 A 36 GLU HA A 36 GLU HGx 1.0 . 3.72 956 776 A 36 GLU HA A 36 GLU HGy 1.0 . 3.72 957 777 A 37 ARG H A 37 ARG HGx 1.0 . 4.12 958 777 A 37 ARG H A 37 ARG HGy 1.0 . 4.12 959 778 A 37 ARG HA A 37 ARG HGx 1.0 . 3.63 960 778 A 37 ARG HA A 37 ARG HGy 1.0 . 3.63 961 779 A 37 ARG HA A 38 CYS HBy 1.0 . 4.83 962 779 A 37 ARG HA A 38 CYS HBx 1.0 . 4.83 963 780 A 37 ARG HBx A 37 ARG HDx 1.0 . 3.41 964 780 A 37 ARG HDy A 37 ARG HBx 1.0 . 3.41 965 780 A 37 ARG HDy A 37 ARG HBy 1.0 . 3.41 966 780 A 37 ARG HBy A 37 ARG HDx 1.0 . 3.41 967 781 A 38 CYS H A 37 ARG HBx 1.0 . 4.12 968 781 A 38 CYS H A 37 ARG HBy 1.0 . 4.12 969 782 A 37 ARG HDx A 39 VAL HGy% 1.0 . 4.31 970 782 A 37 ARG HDy A 39 VAL HGy% 1.0 . 4.31 971 782 A 39 VAL HGx% A 37 ARG HDx 1.0 . 4.31 972 782 A 37 ARG HDy A 39 VAL HGx% 1.0 . 4.31 973 783 A 37 ARG HDy A 65 ASP HBx 1.0 . 3.67 974 783 A 37 ARG HDx A 65 ASP HBx 1.0 . 3.67 975 783 A 65 ASP HBy A 37 ARG HDx 1.0 . 3.67 976 783 A 37 ARG HDy A 65 ASP HBy 1.0 . 3.67 977 784 A 77 HIS HE1 A 38 CYS HBy 1.0 . 3.20 978 784 A 77 HIS HE1 A 38 CYS HBx 1.0 . 3.20 979 785 A 39 VAL H A 39 VAL HGy% 1.0 . 3.18 980 785 A 39 VAL H A 39 VAL HGx% 1.0 . 3.18 981 786 A 39 VAL HA A 39 VAL HGy% 1.0 . 2.94 982 786 A 39 VAL HA A 39 VAL HGx% 1.0 . 2.94 983 787 A 40 ARG H A 39 VAL HGy% 1.0 . 4.58 984 787 A 40 ARG H A 39 VAL HGx% 1.0 . 4.58 985 788 A 40 ARG H A 40 ARG HGx 1.0 . 3.32 986 788 A 40 ARG H A 40 ARG HGy 1.0 . 3.32 987 789 A 40 ARG H A 40 ARG HDx 1.0 . 4.55 988 789 A 40 ARG H A 40 ARG HDy 1.0 . 4.55 989 790 A 40 ARG H A 41 PRO HDx 1.0 . 4.79 990 790 A 40 ARG H A 41 PRO HDy 1.0 . 4.79 991 791 A 40 ARG HA A 40 ARG HGx 1.0 . 3.26 992 791 A 40 ARG HA A 40 ARG HGy 1.0 . 3.26 993 792 A 40 ARG HA A 41 PRO HDx 1.0 . 2.67 994 792 A 40 ARG HA A 41 PRO HDy 1.0 . 2.67 995 793 A 40 ARG HBy A 40 ARG HDx 1.0 . 3.48 996 793 A 40 ARG HBy A 40 ARG HDy 1.0 . 3.48 997 794 A 40 ARG HBx A 40 ARG HDx 1.0 . 3.23 998 794 A 40 ARG HBx A 40 ARG HDy 1.0 . 3.23 999 795 A 40 ARG HBx A 41 PRO HDx 1.0 . 3.30 1000 795 A 40 ARG HBx A 41 PRO HDy 1.0 . 3.30 1001 796 A 40 ARG HGx A 41 PRO HDx 1.0 . 3.65 1002 796 A 40 ARG HGy A 41 PRO HDx 1.0 . 3.65 1003 796 A 41 PRO HDy A 40 ARG HGx 1.0 . 3.65 1004 796 A 40 ARG HGy A 41 PRO HDy 1.0 . 3.65 1005 797 A 76 PHE H A 40 ARG HDx 1.0 . 4.49 1006 797 A 76 PHE H A 40 ARG HDy 1.0 . 4.49 1007 798 A 76 PHE HD% A 40 ARG HDx 1.0 . 4.82 1008 798 A 76 PHE HD% A 40 ARG HDy 1.0 . 4.82 1009 799 A 42 ALA H A 41 PRO HBx 1.0 . 3.81 1010 799 A 42 ALA H A 41 PRO HBy 1.0 . 3.81 1011 800 A 42 ALA HB% A 43 GLY HAx 1.0 . 4.25 1012 800 A 42 ALA HB% A 43 GLY HAy 1.0 . 4.25 1013 801 A 44 ASN H A 43 GLY HAx 1.0 . 3.07 1014 801 A 44 ASN H A 43 GLY HAy 1.0 . 3.07 1015 802 A 45 ALA H A 43 GLY HAx 1.0 . 4.40 1016 802 A 45 ALA H A 43 GLY HAy 1.0 . 4.40 1017 803 A 44 ASN H A 44 ASN HBx 1.0 . 3.60 1018 803 A 44 ASN H A 44 ASN HBy 1.0 . 3.60 1019 804 A 45 ALA HA A 78 LYS HDy 1.0 . 4.47 1020 804 A 45 ALA HA A 78 LYS HDx 1.0 . 4.47 1021 805 A 71 LEU HBy A 46 SER HBy 1.0 . 3.82 1022 805 A 71 LEU HBy A 46 SER HBx 1.0 . 3.82 1023 806 A 71 LEU HBx A 46 SER HBy 1.0 . 3.95 1024 806 A 71 LEU HBx A 46 SER HBx 1.0 . 3.95 1025 807 A 46 SER HBx A 71 LEU HDx% 1.0 . 4.87 1026 807 A 46 SER HBy A 71 LEU HDx% 1.0 . 4.87 1027 807 A 71 LEU HDy% A 46 SER HBy 1.0 . 4.87 1028 807 A 71 LEU HDy% A 46 SER HBx 1.0 . 4.87 1029 808 A 73 ILE HG2% A 46 SER HBy 1.0 . 5.19 1030 808 A 73 ILE HG2% A 46 SER HBx 1.0 . 5.19 1031 809 A 47 PHE HA A 51 VAL HGy% 1.0 . 3.30 1032 809 A 47 PHE HA A 51 VAL HGx% 1.0 . 3.30 1033 810 A 47 PHE HBy A 51 VAL HGy% 1.0 . 5.04 1034 810 A 47 PHE HBy A 51 VAL HGx% 1.0 . 5.04 1035 811 A 47 PHE HBx A 51 VAL HGy% 1.0 . 5.44 1036 811 A 47 PHE HBx A 51 VAL HGx% 1.0 . 5.44 1037 812 A 47 PHE HD% A 51 VAL HGy% 1.0 . 3.37 1038 812 A 47 PHE HD% A 51 VAL HGx% 1.0 . 3.37 1039 813 A 47 PHE HD% A 64 ILE HG1x 1.0 . 4.11 1040 813 A 47 PHE HD% A 64 ILE HG1y 1.0 . 4.11 1041 814 A 47 PHE HE% A 51 VAL HGy% 1.0 . 3.56 1042 814 A 47 PHE HE% A 51 VAL HGx% 1.0 . 3.56 1043 815 A 47 PHE HE% A 52 GLN HBx 1.0 . 4.25 1044 815 A 47 PHE HE% A 52 GLN HBy 1.0 . 4.25 1045 816 A 47 PHE HE% A 64 ILE HG1x 1.0 . 4.37 1046 816 A 47 PHE HE% A 64 ILE HG1y 1.0 . 4.37 1047 817 A 47 PHE HZ A 51 VAL HGy% 1.0 . 4.41 1048 817 A 47 PHE HZ A 51 VAL HGx% 1.0 . 4.41 1049 818 A 47 PHE HZ A 52 GLN HBx 1.0 . 5.00 1050 818 A 47 PHE HZ A 52 GLN HBy 1.0 . 5.00 1051 819 A 47 PHE HZ A 55 ILE HG1x 1.0 . 5.33 1052 819 A 47 PHE HZ A 55 ILE HG1y 1.0 . 5.33 1053 820 A 48 SER H A 48 SER HBy 1.0 . 3.35 1054 820 A 48 SER H A 48 SER HBx 1.0 . 3.35 1055 821 A 48 SER H A 51 VAL HGy% 1.0 . 3.78 1056 821 A 48 SER H A 51 VAL HGx% 1.0 . 3.78 1057 822 A 49 LYS H A 48 SER HBy 1.0 . 4.43 1058 822 A 48 SER HBx A 49 LYS H 1.0 . 4.43 1059 823 A 48 SER HBx A 49 LYS HBy 1.0 . 4.03 1060 823 A 48 SER HBy A 49 LYS HBy 1.0 . 4.03 1061 823 A 49 LYS HBx A 48 SER HBy 1.0 . 4.03 1062 823 A 48 SER HBx A 49 LYS HBx 1.0 . 4.03 1063 824 A 51 VAL H A 48 SER HBy 1.0 . 4.55 1064 824 A 51 VAL H A 48 SER HBx 1.0 . 4.55 1065 825 A 48 SER HBy A 51 VAL HGy% 1.0 . 4.05 1066 825 A 48 SER HBx A 51 VAL HGy% 1.0 . 4.05 1067 825 A 51 VAL HGx% A 48 SER HBy 1.0 . 4.05 1068 825 A 51 VAL HGx% A 48 SER HBx 1.0 . 4.05 1069 826 A 48 SER HBx A 71 LEU HDx% 1.0 . 4.39 1070 826 A 48 SER HBy A 71 LEU HDx% 1.0 . 4.39 1071 826 A 71 LEU HDy% A 48 SER HBy 1.0 . 4.39 1072 826 A 71 LEU HDy% A 48 SER HBx 1.0 . 4.39 1073 827 A 49 LYS HA A 49 LYS HGx 1.0 . 3.44 1074 827 A 49 LYS HA A 49 LYS HGy 1.0 . 3.44 1075 828 A 49 LYS HA A 52 GLN HBx 1.0 . 3.51 1076 828 A 49 LYS HA A 52 GLN HBy 1.0 . 3.51 1077 829 A 49 LYS HBy A 49 LYS HEx 1.0 . 5.03 1078 829 A 49 LYS HBx A 49 LYS HEx 1.0 . 5.03 1079 829 A 49 LYS HEy A 49 LYS HBy 1.0 . 5.03 1080 829 A 49 LYS HBx A 49 LYS HEy 1.0 . 5.03 1081 830 A 50 ARG H A 49 LYS HBy 1.0 . 4.22 1082 830 A 49 LYS HBx A 50 ARG H 1.0 . 4.22 1083 831 A 49 LYS HEy A 49 LYS HGx 1.0 . 3.63 1084 831 A 49 LYS HGy A 49 LYS HEx 1.0 . 3.63 1085 831 A 49 LYS HGy A 49 LYS HEy 1.0 . 3.63 1086 831 A 49 LYS HEx A 49 LYS HGx 1.0 . 3.63 1087 832 A 50 ARG HA A 50 ARG HGx 1.0 . 3.46 1088 832 A 50 ARG HA A 50 ARG HGy 1.0 . 3.46 1089 833 A 50 ARG HA A 51 VAL HGy% 1.0 . 5.44 1090 833 A 50 ARG HA A 51 VAL HGx% 1.0 . 5.44 1091 834 A 50 ARG HBx A 50 ARG HDx 1.0 . 3.18 1092 834 A 50 ARG HBy A 50 ARG HDx 1.0 . 3.18 1093 834 A 50 ARG HDy A 50 ARG HBx 1.0 . 3.18 1094 834 A 50 ARG HDy A 50 ARG HBy 1.0 . 3.18 1095 835 A 50 ARG HBx A 51 VAL HGy% 1.0 . 4.87 1096 835 A 50 ARG HBy A 51 VAL HGy% 1.0 . 4.87 1097 835 A 51 VAL HGx% A 50 ARG HBx 1.0 . 4.87 1098 835 A 51 VAL HGx% A 50 ARG HBy 1.0 . 4.87 1099 836 A 51 VAL HA A 50 ARG HGx 1.0 . 5.08 1100 836 A 51 VAL HA A 50 ARG HGy 1.0 . 5.08 1101 837 A 50 ARG HDx A 51 VAL HGy% 1.0 . 5.44 1102 837 A 50 ARG HDy A 51 VAL HGy% 1.0 . 5.44 1103 837 A 51 VAL HGx% A 50 ARG HDx 1.0 . 5.44 1104 837 A 50 ARG HDy A 51 VAL HGx% 1.0 . 5.44 1105 838 A 51 VAL H A 51 VAL HGy% 1.0 . 3.22 1106 838 A 51 VAL H A 51 VAL HGx% 1.0 . 3.22 1107 839 A 51 VAL H A 52 GLN HBx 1.0 . 4.73 1108 839 A 51 VAL H A 52 GLN HBy 1.0 . 4.73 1109 840 A 52 GLN H A 51 VAL HGy% 1.0 . 3.86 1110 840 A 52 GLN H A 51 VAL HGx% 1.0 . 3.86 1111 841 A 51 VAL HGy% A 52 GLN HGx 1.0 . 4.97 1112 841 A 51 VAL HGx% A 52 GLN HGx 1.0 . 4.97 1113 841 A 52 GLN HGy A 51 VAL HGy% 1.0 . 4.97 1114 841 A 52 GLN HGy A 51 VAL HGx% 1.0 . 4.97 1115 842 A 54 SER HBy A 51 VAL HGy% 1.0 . 4.14 1116 842 A 54 SER HBy A 51 VAL HGx% 1.0 . 4.14 1117 843 A 54 SER HBx A 51 VAL HGy% 1.0 . 5.28 1118 843 A 54 SER HBx A 51 VAL HGx% 1.0 . 5.28 1119 844 A 55 ILE H A 51 VAL HGy% 1.0 . 4.59 1120 844 A 55 ILE H A 51 VAL HGx% 1.0 . 4.59 1121 845 A 52 GLN HA A 55 ILE HG1x 1.0 . 4.19 1122 845 A 52 GLN HA A 55 ILE HG1y 1.0 . 4.19 1123 846 A 53 LYS H A 52 GLN HBx 1.0 . 3.60 1124 846 A 53 LYS H A 52 GLN HBy 1.0 . 3.60 1125 847 A 54 SER H A 53 LYS HBx 1.0 . 3.86 1126 847 A 54 SER H A 53 LYS HBy 1.0 . 3.86 1127 848 A 54 SER HA A 53 LYS HBx 1.0 . 4.81 1128 848 A 54 SER HA A 53 LYS HBy 1.0 . 4.81 1129 849 A 53 LYS HGx A 56 SER HBx 1.0 . 5.34 1130 849 A 53 LYS HGy A 56 SER HBx 1.0 . 5.34 1131 849 A 56 SER HBy A 53 LYS HGy 1.0 . 5.34 1132 849 A 56 SER HBy A 53 LYS HGx 1.0 . 5.34 1133 850 A 55 ILE H A 55 ILE HG1x 1.0 . 3.41 1134 850 A 55 ILE H A 55 ILE HG1y 1.0 . 3.41 1135 851 A 55 ILE HA A 55 ILE HG1x 1.0 . 3.70 1136 851 A 55 ILE HA A 55 ILE HG1y 1.0 . 3.70 1137 852 A 55 ILE HG2% A 58 LYS HBx 1.0 . 4.41 1138 852 A 55 ILE HG2% A 58 LYS HBy 1.0 . 4.41 1139 853 A 55 ILE HG2% A 62 LEU HBy 1.0 . 3.83 1140 853 A 55 ILE HG2% A 62 LEU HBx 1.0 . 3.83 1141 854 A 55 ILE HD1% A 62 LEU HBy 1.0 . 3.67 1142 854 A 55 ILE HD1% A 62 LEU HBx 1.0 . 3.67 1143 855 A 55 ILE HD1% A 81 ILE HG1x 1.0 . 4.73 1144 855 A 55 ILE HD1% A 81 ILE HG1y 1.0 . 4.73 1145 856 A 57 GLN H A 57 GLN HGx 1.0 . 4.32 1146 856 A 57 GLN H A 57 GLN HGy 1.0 . 4.32 1147 857 A 57 GLN HA A 57 GLN HGx 1.0 . 3.44 1148 857 A 57 GLN HA A 57 GLN HGy 1.0 . 3.44 1149 858 A 58 LYS H A 57 GLN HBx 1.0 . 3.86 1150 858 A 58 LYS H A 57 GLN HBy 1.0 . 3.86 1151 859 A 58 LYS H A 58 LYS HBx 1.0 . 3.34 1152 859 A 58 LYS H A 58 LYS HBy 1.0 . 3.34 1153 860 A 58 LYS H A 58 LYS HGx 1.0 . 4.26 1154 860 A 58 LYS H A 58 LYS HGy 1.0 . 4.26 1155 861 A 58 LYS HA A 58 LYS HGx 1.0 . 2.94 1156 861 A 58 LYS HA A 58 LYS HGy 1.0 . 2.94 1157 862 A 58 LYS HBx A 58 LYS HEx 1.0 . 4.02 1158 862 A 58 LYS HEy A 58 LYS HBx 1.0 . 4.02 1159 862 A 58 LYS HEy A 58 LYS HBy 1.0 . 4.02 1160 862 A 58 LYS HBy A 58 LYS HEx 1.0 . 4.02 1161 863 A 59 LYS H A 58 LYS HBx 1.0 . 4.29 1162 863 A 59 LYS H A 58 LYS HBy 1.0 . 4.29 1163 864 A 60 LEU HBy A 58 LYS HBx 1.0 . 3.85 1164 864 A 60 LEU HBy A 58 LYS HBy 1.0 . 3.85 1165 865 A 58 LYS HBx A 60 LEU HDx% 1.0 . 3.70 1166 865 A 60 LEU HDy% A 58 LYS HBx 1.0 . 3.70 1167 865 A 60 LEU HDy% A 58 LYS HBy 1.0 . 3.70 1168 865 A 58 LYS HBy A 60 LEU HDx% 1.0 . 3.70 1169 866 A 58 LYS HEx A 58 LYS HGx 1.0 . 3.33 1170 866 A 58 LYS HEy A 58 LYS HGx 1.0 . 3.33 1171 866 A 58 LYS HGy A 58 LYS HEx 1.0 . 3.33 1172 866 A 58 LYS HEy A 58 LYS HGy 1.0 . 3.33 1173 867 A 59 LYS H A 58 LYS HGx 1.0 . 4.82 1174 867 A 59 LYS H A 58 LYS HGy 1.0 . 4.82 1175 868 A 58 LYS HEx A 84 VAL HGy% 1.0 . 3.86 1176 868 A 58 LYS HEy A 84 VAL HGy% 1.0 . 3.86 1177 868 A 84 VAL HGx% A 58 LYS HEx 1.0 . 3.86 1178 868 A 58 LYS HEy A 84 VAL HGx% 1.0 . 3.86 1179 869 A 59 LYS H A 59 LYS HBy 1.0 . 3.64 1180 869 A 59 LYS H A 59 LYS HBx 1.0 . 3.64 1181 870 A 59 LYS HA A 59 LYS HGy 1.0 . 3.10 1182 870 A 59 LYS HA A 59 LYS HGx 1.0 . 3.10 1183 871 A 61 LYS HA A 61 LYS HGy 1.0 . 3.43 1184 871 A 61 LYS HA A 61 LYS HGx 1.0 . 3.43 1185 872 A 61 LYS HBy A 61 LYS HEx 1.0 . 4.56 1186 872 A 61 LYS HBx A 61 LYS HEx 1.0 . 4.56 1187 872 A 61 LYS HEy A 61 LYS HBy 1.0 . 4.56 1188 872 A 61 LYS HBx A 61 LYS HEy 1.0 . 4.56 1189 873 A 62 LEU H A 62 LEU HBy 1.0 . 3.51 1190 873 A 62 LEU H A 62 LEU HBx 1.0 . 3.51 1191 874 A 62 LEU H A 62 LEU HDx% 1.0 . 4.73 1192 874 A 62 LEU H A 62 LEU HDy% 1.0 . 4.73 1193 875 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.12 1194 875 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.12 1195 876 A 62 LEU HBx A 62 LEU HDx% 1.0 . 2.72 1196 876 A 62 LEU HBy A 62 LEU HDx% 1.0 . 2.72 1197 876 A 62 LEU HDy% A 62 LEU HBy 1.0 . 2.72 1198 876 A 62 LEU HDy% A 62 LEU HBx 1.0 . 2.72 1199 877 A 63 ASP H A 62 LEU HBy 1.0 . 3.95 1200 877 A 63 ASP H A 62 LEU HBx 1.0 . 3.95 1201 878 A 80 PHE HE% A 62 LEU HBy 1.0 . 5.15 1202 878 A 80 PHE HE% A 62 LEU HBx 1.0 . 5.15 1203 879 A 63 ASP H A 62 LEU HDx% 1.0 . 4.58 1204 879 A 63 ASP H A 62 LEU HDy% 1.0 . 4.58 1205 880 A 77 HIS HA A 62 LEU HDx% 1.0 . 4.93 1206 880 A 77 HIS HA A 62 LEU HDy% 1.0 . 4.93 1207 881 A 77 HIS HBy A 62 LEU HDx% 1.0 . 5.44 1208 881 A 77 HIS HBy A 62 LEU HDy% 1.0 . 5.44 1209 882 A 77 HIS HBx A 62 LEU HDx% 1.0 . 4.43 1210 882 A 77 HIS HBx A 62 LEU HDy% 1.0 . 4.43 1211 883 A 77 HIS HD2 A 62 LEU HDx% 1.0 . 3.47 1212 883 A 77 HIS HD2 A 62 LEU HDy% 1.0 . 3.47 1213 884 A 77 HIS HE1 A 62 LEU HDx% 1.0 . 5.13 1214 884 A 77 HIS HE1 A 62 LEU HDy% 1.0 . 5.13 1215 885 A 80 PHE HBx A 62 LEU HDx% 1.0 . 4.46 1216 885 A 80 PHE HBx A 62 LEU HDy% 1.0 . 4.46 1217 886 A 80 PHE HD% A 62 LEU HDx% 1.0 . 3.52 1218 886 A 80 PHE HD% A 62 LEU HDy% 1.0 . 3.52 1219 887 A 80 PHE HE% A 62 LEU HDx% 1.0 . 3.84 1220 887 A 80 PHE HE% A 62 LEU HDy% 1.0 . 3.84 1221 888 A 62 LEU HDy% A 81 ILE HG1x 1.0 . 3.88 1222 888 A 81 ILE HG1y A 62 LEU HDx% 1.0 . 3.88 1223 888 A 62 LEU HDy% A 81 ILE HG1y 1.0 . 3.88 1224 888 A 62 LEU HDx% A 81 ILE HG1x 1.0 . 3.88 1225 889 A 64 ILE HD1% A 63 ASP HBx 1.0 . 5.34 1226 889 A 64 ILE HD1% A 63 ASP HBy 1.0 . 5.34 1227 890 A 64 ILE H A 64 ILE HG1x 1.0 . 3.58 1228 890 A 64 ILE H A 64 ILE HG1y 1.0 . 3.58 1229 891 A 64 ILE HA A 64 ILE HG1x 1.0 . 3.57 1230 891 A 64 ILE HA A 64 ILE HG1y 1.0 . 3.57 1231 892 A 64 ILE HA A 65 ASP HBx 1.0 . 4.33 1232 892 A 64 ILE HA A 65 ASP HBy 1.0 . 4.33 1233 893 A 64 ILE HG2% A 65 ASP HBx 1.0 . 4.73 1234 893 A 64 ILE HG2% A 65 ASP HBy 1.0 . 4.73 1235 894 A 64 ILE HG2% A 66 LYS HGx 1.0 . 4.02 1236 894 A 64 ILE HG2% A 66 LYS HGy 1.0 . 4.02 1237 895 A 66 LYS H A 66 LYS HBx 1.0 . 3.47 1238 895 A 66 LYS H A 66 LYS HBy 1.0 . 3.47 1239 896 A 66 LYS H A 66 LYS HGx 1.0 . 3.71 1240 896 A 66 LYS H A 66 LYS HGy 1.0 . 3.71 1241 897 A 66 LYS HA A 66 LYS HGx 1.0 . 3.27 1242 897 A 66 LYS HA A 66 LYS HGy 1.0 . 3.27 1243 898 A 66 LYS HBy A 66 LYS HEx 1.0 . 5.27 1244 898 A 66 LYS HEy A 66 LYS HBx 1.0 . 5.27 1245 898 A 66 LYS HBy A 66 LYS HEy 1.0 . 5.27 1246 898 A 66 LYS HBx A 66 LYS HEx 1.0 . 5.27 1247 899 A 73 ILE HD1% A 81 ILE HG1x 1.0 . 4.37 1248 899 A 73 ILE HD1% A 81 ILE HG1y 1.0 . 4.37 1249 900 A 74 CYS HA A 75 ASP HBx 1.0 . 4.77 1250 900 A 74 CYS HA A 75 ASP HBy 1.0 . 4.77 1251 901 A 74 CYS HBy A 76 PHE HBy 1.0 . 4.68 1252 901 A 74 CYS HBy A 76 PHE HBx 1.0 . 4.68 1253 902 A 75 ASP H A 75 ASP HBx 1.0 . 3.04 1254 902 A 75 ASP H A 75 ASP HBy 1.0 . 3.04 1255 903 A 75 ASP HA A 78 LYS HGx 1.0 . 4.63 1256 903 A 75 ASP HA A 78 LYS HGy 1.0 . 4.63 1257 904 A 75 ASP HA A 78 LYS HDy 1.0 . 3.89 1258 904 A 75 ASP HA A 78 LYS HDx 1.0 . 3.89 1259 905 A 76 PHE H A 75 ASP HBx 1.0 . 3.92 1260 905 A 76 PHE H A 75 ASP HBy 1.0 . 3.92 1261 906 A 78 LYS HBx A 75 ASP HBx 1.0 . 4.44 1262 906 A 78 LYS HBx A 75 ASP HBy 1.0 . 4.44 1263 907 A 76 PHE HA A 79 ASN HBx 1.0 . 4.17 1264 907 A 76 PHE HA A 79 ASN HBy 1.0 . 4.17 1265 908 A 77 HIS H A 76 PHE HBy 1.0 . 3.62 1266 908 A 77 HIS H A 76 PHE HBx 1.0 . 3.62 1267 909 A 76 PHE HD% A 79 ASN HBx 1.0 . 5.05 1268 909 A 76 PHE HD% A 79 ASN HBy 1.0 . 5.05 1269 910 A 77 HIS HA A 81 ILE HG1x 1.0 . 4.44 1270 910 A 77 HIS HA A 81 ILE HG1y 1.0 . 4.44 1271 911 A 78 LYS H A 78 LYS HGx 1.0 . 4.59 1272 911 A 78 LYS H A 78 LYS HGy 1.0 . 4.59 1273 912 A 78 LYS HA A 78 LYS HGx 1.0 . 3.38 1274 912 A 78 LYS HA A 78 LYS HGy 1.0 . 3.38 1275 913 A 78 LYS HA A 78 LYS HDy 1.0 . 4.54 1276 913 A 78 LYS HA A 78 LYS HDx 1.0 . 4.54 1277 914 A 78 LYS HA A 81 ILE HG1x 1.0 . 4.67 1278 914 A 78 LYS HA A 81 ILE HG1y 1.0 . 4.67 1279 915 A 78 LYS HBx A 79 ASN HBx 1.0 . 4.64 1280 915 A 78 LYS HBx A 79 ASN HBy 1.0 . 4.64 1281 916 A 78 LYS HEx A 78 LYS HGx 1.0 . 3.63 1282 916 A 78 LYS HEy A 78 LYS HGx 1.0 . 3.63 1283 916 A 78 LYS HGy A 78 LYS HEx 1.0 . 3.63 1284 916 A 78 LYS HEy A 78 LYS HGy 1.0 . 3.63 1285 917 A 79 ASN H A 78 LYS HGx 1.0 . 4.42 1286 917 A 79 ASN H A 78 LYS HGy 1.0 . 4.42 1287 918 A 79 ASN HA A 78 LYS HGx 1.0 . 4.15 1288 918 A 79 ASN HA A 78 LYS HGy 1.0 . 4.15 1289 919 A 78 LYS HGx A 82 GLN HGx 1.0 . 4.29 1290 919 A 78 LYS HGy A 82 GLN HGx 1.0 . 4.29 1291 919 A 82 GLN HGy A 78 LYS HGx 1.0 . 4.29 1292 919 A 78 LYS HGy A 82 GLN HGy 1.0 . 4.29 1293 920 A 79 ASN HA A 82 GLN HGx 1.0 . 4.55 1294 920 A 79 ASN HA A 82 GLN HGy 1.0 . 4.55 1295 921 A 80 PHE H A 81 ILE HG1x 1.0 . 4.50 1296 921 A 80 PHE H A 81 ILE HG1y 1.0 . 4.50 1297 922 A 80 PHE HBy A 81 ILE HG1x 1.0 . 4.81 1298 922 A 80 PHE HBy A 81 ILE HG1y 1.0 . 4.81 1299 923 A 80 PHE HBx A 81 ILE HG1x 1.0 . 4.31 1300 923 A 80 PHE HBx A 81 ILE HG1y 1.0 . 4.31 1301 924 A 80 PHE HD% A 81 ILE HG1x 1.0 . 3.83 1302 924 A 80 PHE HD% A 81 ILE HG1y 1.0 . 3.83 1303 925 A 80 PHE HD% A 84 VAL HGy% 1.0 . 4.96 1304 925 A 80 PHE HD% A 84 VAL HGx% 1.0 . 4.96 1305 926 A 81 ILE H A 81 ILE HG1x 1.0 . 2.98 1306 926 A 81 ILE H A 81 ILE HG1y 1.0 . 2.98 1307 927 A 81 ILE HA A 81 ILE HG1x 1.0 . 3.23 1308 927 A 81 ILE HA A 81 ILE HG1y 1.0 . 3.23 1309 928 A 81 ILE HA A 84 VAL HGy% 1.0 . 3.63 1310 928 A 81 ILE HA A 84 VAL HGx% 1.0 . 3.63 1311 929 A 81 ILE HG2% A 82 GLN HGx 1.0 . 4.51 1312 929 A 81 ILE HG2% A 82 GLN HGy 1.0 . 4.51 1313 930 A 82 GLN H A 82 GLN HGx 1.0 . 3.76 1314 930 A 82 GLN H A 82 GLN HGy 1.0 . 3.76 1315 931 A 82 GLN HA A 82 GLN HGx 1.0 . 3.35 1316 931 A 82 GLN HA A 82 GLN HGy 1.0 . 3.35 1317 932 A 83 SER HA A 84 VAL HGy% 1.0 . 4.94 1318 932 A 83 SER HA A 84 VAL HGx% 1.0 . 4.94 1319 933 A 84 VAL H A 84 VAL HGy% 1.0 . 3.17 1320 933 A 84 VAL H A 84 VAL HGx% 1.0 . 3.17 1321 934 A 85 ARG HA A 84 VAL HGy% 1.0 . 4.08 1322 934 A 85 ARG HA A 84 VAL HGx% 1.0 . 4.08 1323 935 A 85 ARG HA A 85 ARG HGy 1.0 . 3.13 1324 935 A 85 ARG HA A 85 ARG HGx 1.0 . 3.13 1325 936 A 85 ARG HBx A 85 ARG HDx 1.0 . 3.10 1326 936 A 85 ARG HBy A 85 ARG HDx 1.0 . 3.10 1327 936 A 85 ARG HDy A 85 ARG HBx 1.0 . 3.10 1328 936 A 85 ARG HDy A 85 ARG HBy 1.0 . 3.10 1329 937 A 87 LYS HA A 86 ASN HBx 1.0 . 4.41 1330 937 A 87 LYS HA A 86 ASN HBy 1.0 . 4.41 1331 938 A 86 ASN HBy A 87 LYS HBx 1.0 . 4.61 1332 938 A 86 ASN HBx A 87 LYS HBx 1.0 . 4.61 1333 938 A 87 LYS HBy A 86 ASN HBx 1.0 . 4.61 1334 938 A 87 LYS HBy A 86 ASN HBy 1.0 . 4.61 1335 939 A 86 ASN HBy A 87 LYS HDx 1.0 . 4.57 1336 939 A 86 ASN HBx A 87 LYS HDx 1.0 . 4.57 1337 939 A 87 LYS HDy A 86 ASN HBx 1.0 . 4.57 1338 939 A 87 LYS HDy A 86 ASN HBy 1.0 . 4.57 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 38 CYS SG A 29 CYS SG 1.0 . 3.75 2 2 A 74 CYS SG A 29 CYS SG 1.0 . 3.75 3 3 A 38 CYS SG A 74 CYS SG 1.0 . 3.75 4 4 A 29 CYS SG A 77 HIS ND1 1.0 . 3.75 5 5 A 38 CYS SG A 77 HIS ND1 1.0 . 3.75 6 6 A 74 CYS SG A 77 HIS ND1 1.0 . 3.75 7 7 A 38 CYS SG A 29 CYS SG 1.0 . 4.15 8 8 A 74 CYS SG A 29 CYS SG 1.0 . 4.15 9 9 A 38 CYS SG A 74 CYS SG 1.0 . 4.15 10 10 A 29 CYS SG A 77 HIS ND1 1.0 . 4.15 11 11 A 38 CYS SG A 77 HIS ND1 1.0 . 4.15 12 12 A 74 CYS SG A 77 HIS ND1 1.0 . 4.15 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 27 GLN C A 28 SER N A 28 SER CA A 28 SER C 1.0 -174.9 -57.0 PHI 2 2 A 28 SER N A 28 SER CA A 28 SER C A 29 CYS N 1.0 106.0 166.9 PSI 3 3 A 30 CYS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -123.0 -50.6 PHI 4 4 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ILE N 1.0 88.5 187.7 PSI 5 5 A 31 LEU C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -170.7 -55.2 PHI 6 6 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 GLU N 1.0 89.3 163.9 PSI 7 7 A 32 ILE C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -141.5 -93.0 PHI 8 8 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 ASP N 1.0 110.2 152.1 PSI 9 9 A 34 ASP C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 55.9 109.5 PHI 10 10 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 GLU N 1.0 -45.6 32.6 PSI 11 11 A 35 GLY C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -134.2 -65.1 PHI 12 12 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ARG N 1.0 107.3 158.1 PSI 13 13 A 36 GLU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -133.2 -32.4 PHI 14 14 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 CYS N 1.0 82.8 152.7 PSI 15 15 A 41 PRO C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -127.7 -44.7 PHI 16 16 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLY N 1.0 109.2 151.8 PSI 17 17 A 44 ASN C A 45 ALA N A 45 ALA CA A 45 ALA C 1.0 -144.6 -43.1 PHI 18 18 A 45 ALA N A 45 ALA CA A 45 ALA C A 46 SER N 1.0 73.9 209.4 PSI 19 19 A 46 SER C A 47 PHE N A 47 PHE CA A 47 PHE C 1.0 -189.8 -53.7 PHI 20 20 A 47 PHE N A 47 PHE CA A 47 PHE C A 48 SER N 1.0 78.8 193.6 PSI 21 21 A 47 PHE C A 48 SER N A 48 SER CA A 48 SER C 1.0 -119.4 -46.3 PHI 22 22 A 48 SER N A 48 SER CA A 48 SER C A 49 LYS N 1.0 136.4 176.4 PSI 23 23 A 48 SER C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -79.5 -39.5 PHI 24 24 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ARG N 1.0 -58.4 -18.4 PSI 25 25 A 49 LYS C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -85.2 -45.2 PHI 26 26 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 VAL N 1.0 -58.3 -18.3 PSI 27 27 A 50 ARG C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -83.6 -43.6 PHI 28 28 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 GLN N 1.0 -65.3 -25.3 PSI 29 29 A 51 VAL C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -81.6 -41.6 PHI 30 30 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 LYS N 1.0 -61.2 -21.2 PSI 31 31 A 52 GLN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -95.3 -40.0 PHI 32 32 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 SER N 1.0 -58.7 -18.7 PSI 33 33 A 53 LYS C A 54 SER N A 54 SER CA A 54 SER C 1.0 -87.6 -47.6 PHI 34 34 A 54 SER N A 54 SER CA A 54 SER C A 55 ILE N 1.0 -62.1 -18.1 PSI 35 35 A 54 SER C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -85.9 -45.9 PHI 36 36 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 SER N 1.0 -57.1 -17.1 PSI 37 37 A 55 ILE C A 56 SER N A 56 SER CA A 56 SER C 1.0 -90.7 -41.8 PHI 38 38 A 56 SER N A 56 SER CA A 56 SER C A 57 GLN N 1.0 -60.6 -20.6 PSI 39 39 A 56 SER C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -84.9 -44.9 PHI 40 40 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 LYS N 1.0 -62.5 -12.2 PSI 41 41 A 57 GLN C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -109.3 -69.3 PHI 42 42 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 LYS N 1.0 -19.4 20.6 PSI 43 43 A 58 LYS C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 37.7 77.7 PHI 44 44 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 LEU N 1.0 16.8 58.5 PSI 45 45 A 61 LYS C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -171.4 -82.7 PHI 46 46 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ASP N 1.0 117.2 167.0 PSI 47 47 A 62 LEU C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -169.5 -107.3 PHI 48 48 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 ILE N 1.0 119.4 178.8 PSI 49 49 A 63 ASP C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -151.5 -72.0 PHI 50 50 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ASP N 1.0 120.8 160.8 PSI 51 51 A 64 ILE C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -145.9 -32.9 PHI 52 52 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 LYS N 1.0 71.3 163.2 PSI 53 53 A 65 ASP C A 66 LYS N A 66 LYS CA A 66 LYS C 1.0 -93.4 -35.0 PHI 54 54 A 66 LYS N A 66 LYS CA A 66 LYS C A 67 SER N 1.0 -49.2 5.6 PSI 55 55 A 66 LYS C A 67 SER N A 67 SER CA A 67 SER C 1.0 -94.7 -54.7 PHI 56 56 A 67 SER N A 67 SER CA A 67 SER C A 68 VAL N 1.0 -48.4 -3.1 PSI 57 57 A 67 SER C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -123.5 -37.7 PHI 58 58 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ARG N 1.0 -56.2 28.1 PSI 59 59 A 69 ARG C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -162.5 -70.9 PHI 60 60 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 LEU N 1.0 123.3 181.7 PSI 61 61 A 70 HIS C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -151.0 -47.3 PHI 62 62 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 TYR N 1.0 104.7 175.0 PSI 63 63 A 72 TYR C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -161.7 -108.1 PHI 64 64 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 CYS N 1.0 132.4 172.4 PSI 65 65 A 73 ILE C A 74 CYS N A 74 CYS CA A 74 CYS C 1.0 -122.7 -56.5 PHI 66 66 A 74 CYS N A 74 CYS CA A 74 CYS C A 75 ASP N 1.0 128.5 195.6 PSI 67 67 A 74 CYS C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -88.2 -41.4 PHI 68 68 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 PHE N 1.0 -56.3 -16.3 PSI 69 69 A 75 ASP C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -85.7 -45.7 PHI 70 70 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 HIS N 1.0 -59.7 -19.7 PSI 71 71 A 76 PHE C A 77 HIS N A 77 HIS CA A 77 HIS C 1.0 -84.3 -44.3 PHI 72 72 A 77 HIS N A 77 HIS CA A 77 HIS C A 78 LYS N 1.0 -63.5 -23.5 PSI 73 73 A 77 HIS C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -81.3 -41.3 PHI 74 74 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 ASN N 1.0 -66.6 -26.6 PSI 75 75 A 78 LYS C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -83.5 -43.5 PHI 76 76 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 PHE N 1.0 -58.2 -18.2 PSI 77 77 A 79 ASN C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -84.5 -44.5 PHI 78 78 A 80 PHE N A 80 PHE CA A 80 PHE C A 81 ILE N 1.0 -65.3 -25.3 PSI 79 79 A 80 PHE C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -85.8 -45.5 PHI 80 80 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 GLN N 1.0 -64.3 -24.3 PSI 81 81 A 81 ILE C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -84.4 -44.4 PHI 82 82 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 SER N 1.0 -59.8 -9.1 PSI 83 83 A 82 GLN C A 83 SER N A 83 SER CA A 83 SER C 1.0 -86.0 -46.0 PHI 84 84 A 83 SER N A 83 SER CA A 83 SER C A 84 VAL N 1.0 -60.5 -12.8 PSI 85 85 A 83 SER C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -90.2 -45.2 PHI 86 86 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 ARG N 1.0 -64.8 -24.6 PSI 87 87 A 84 VAL C A 85 ARG N A 85 ARG CA A 85 ARG C 1.0 -95.2 -41.1 PHI 88 88 A 85 ARG N A 85 ARG CA A 85 ARG C A 86 ASN N 1.0 -58.4 -6.4 PSI stop_ save_