data_nef_c19328_2ma5 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 31 HIS NE2 2 1 ZN ZN 1 49 CYS SG 2 2 ZN ZN 1 4 CYS SG 2 1 ZN ZN 1 52 CYS SG 2 2 ZN ZN 1 26 CYS SG 2 2 ZN ZN 1 22 CYS SG 2 2 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 CYS middle -HG . 5 A 5 PRO middle . false 6 A 6 ALA middle . . 7 A 7 VAL middle . . 8 A 8 SER middle . . 9 A 9 CYS middle -HG . 10 A 10 LEU middle . . 11 A 11 GLN middle . . 12 A 12 PRO middle . false 13 A 13 GLU middle . . 14 A 14 GLY middle . false 15 A 15 ASP middle . . 16 A 16 GLU middle . . 17 A 17 VAL middle . . 18 A 18 ASP middle . . 19 A 19 TRP middle . . 20 A 20 VAL middle . . 21 A 21 GLN middle . . 22 A 22 CYS middle -HG . 23 A 23 ASP middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 CYS middle -HG . 27 A 27 ASN middle . . 28 A 28 GLN middle . . 29 A 29 TRP middle . . 30 A 30 PHE middle . . 31 A 31 HIS middle -HE2 . 32 A 32 GLN middle . . 33 A 33 VAL middle . . 34 A 34 CYS middle -HG . 35 A 35 VAL middle . . 36 A 36 GLY middle . false 37 A 37 VAL middle . . 38 A 38 SER middle . . 39 A 39 PRO middle . false 40 A 40 GLU middle . . 41 A 41 MET middle . . 42 A 42 ALA middle . . 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 GLU middle . . 46 A 46 ASP middle . . 47 A 47 TYR middle . . 48 A 48 ILE middle . . 49 A 49 CYS middle -HG . 50 A 50 VAL middle . . 51 A 51 ARG middle . . 52 A 52 CYS middle -HG . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 LYS middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 PRO middle . false 59 A 59 SER middle . . 60 A 60 ARG middle . . 61 A 61 LYS 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 HIS HA H 1 4.82 0.02 A 2 HIS HBx H 1 3.07 0.02 A 2 HIS HBy H 1 3.29 0.02 A 2 HIS C C 13 174.0 0.2 A 2 HIS CA C 13 55.8 0.2 A 2 HIS CB C 13 30.4 0.2 A 3 MET H H 1 8.45 0.02 A 3 MET HA H 1 5.22 0.02 A 3 MET HBx H 1 2.03 0.02 A 3 MET HBy H 1 2.23 0.02 A 3 MET HGx H 1 2.68 0.02 A 3 MET HGy H 1 2.68 0.02 A 3 MET C C 13 176.1 0.2 A 3 MET CA C 13 55.8 0.2 A 3 MET CB C 13 34.5 0.2 A 3 MET CG C 13 32.3 0.2 A 3 MET N N 15 121.1 0.2 A 4 CYS H H 1 9.80 0.02 A 4 CYS HA H 1 5.23 0.02 A 4 CYS HBx H 1 1.85 0.02 A 4 CYS HBy H 1 3.48 0.02 A 4 CYS CA C 13 57.0 0.2 A 4 CYS CB C 13 30.2 0.2 A 4 CYS N N 15 129.8 0.2 A 5 PRO HA H 1 4.78 0.02 A 5 PRO HBy H 1 2.23 0.02 A 5 PRO HBx H 1 2.05 0.02 A 5 PRO HDx H 1 3.03 0.02 A 5 PRO HDy H 1 3.83 0.02 A 5 PRO HGx H 1 1.14 0.02 A 5 PRO HGy H 1 1.67 0.02 A 5 PRO C C 13 176.8 0.2 A 5 PRO CA C 13 63.3 0.2 A 5 PRO CB C 13 30.1 0.2 A 5 PRO CD C 13 50.8 0.2 A 5 PRO CG C 13 26.9 0.2 A 6 ALA H H 1 8.55 0.02 A 6 ALA HA H 1 4.48 0.02 A 6 ALA HB% H 1 1.53 0.02 A 6 ALA C C 13 176.8 0.2 A 6 ALA CA C 13 53.3 0.2 A 6 ALA CB C 13 20.2 0.2 A 6 ALA N N 15 125.2 0.2 A 7 VAL H H 1 8.53 0.02 A 7 VAL HA H 1 3.73 0.02 A 7 VAL HB H 1 2.06 0.02 A 7 VAL HGx% H 1 1.04 0.02 A 7 VAL HGy% H 1 1.16 0.02 A 7 VAL C C 13 177.6 0.2 A 7 VAL CA C 13 66.3 0.2 A 7 VAL CB C 13 31.3 0.2 A 7 VAL CGx C 13 20.8 0.2 A 7 VAL CGy C 13 22.2 0.2 A 7 VAL N N 15 121.5 0.2 A 8 SER H H 1 7.89 0.02 A 8 SER HA H 1 4.55 0.02 A 8 SER HBx H 1 3.72 0.02 A 8 SER HBy H 1 3.83 0.02 A 8 SER C C 13 172.9 0.2 A 8 SER CA C 13 56.7 0.2 A 8 SER CB C 13 63.3 0.2 A 8 SER N N 15 113.2 0.2 A 9 CYS H H 1 8.31 0.02 A 9 CYS HA H 1 5.26 0.02 A 9 CYS HBy H 1 3.41 0.02 A 9 CYS HBx H 1 3.02 0.02 A 9 CYS C C 13 177.3 0.2 A 9 CYS CA C 13 58.2 0.2 A 9 CYS CB C 13 29.6 0.2 A 9 CYS N N 15 126.0 0.2 A 10 LEU H H 1 10.17 0.02 A 10 LEU HA H 1 4.18 0.02 A 10 LEU HBy H 1 1.65 0.02 A 10 LEU HBx H 1 1.57 0.02 A 10 LEU HDx% H 1 0.88 0.02 A 10 LEU HDy% H 1 0.85 0.02 A 10 LEU HG H 1 1.91 0.02 A 10 LEU C C 13 176.3 0.2 A 10 LEU CA C 13 55.9 0.2 A 10 LEU CB C 13 41.5 0.2 A 10 LEU CDy C 13 25.5 0.2 A 10 LEU CDx C 13 22.3 0.2 A 10 LEU CG C 13 27.1 0.2 A 10 LEU N N 15 135.7 0.2 A 11 GLN H H 1 9.85 0.02 A 11 GLN HA H 1 3.87 0.02 A 11 GLN HBx H 1 2.07 0.02 A 11 GLN HBy H 1 2.10 0.02 A 11 GLN HE2y H 1 7.63 0.02 A 11 GLN HE2x H 1 6.83 0.02 A 11 GLN HGx H 1 2.24 0.02 A 11 GLN HGy H 1 2.33 0.02 A 11 GLN CA C 13 55.4 0.2 A 11 GLN CB C 13 28.1 0.2 A 11 GLN CG C 13 35.4 0.2 A 11 GLN N N 15 120.1 0.2 A 11 GLN NE2 N 15 111.9 0.2 A 12 PRO HA H 1 4.23 0.02 A 12 PRO HBx H 1 1.67 0.02 A 12 PRO HBy H 1 1.89 0.02 A 12 PRO HDx H 1 2.56 0.02 A 12 PRO HDy H 1 2.86 0.02 A 12 PRO HGx H 1 0.98 0.02 A 12 PRO HGy H 1 1.14 0.02 A 12 PRO C C 13 176.7 0.2 A 12 PRO CA C 13 62.7 0.2 A 12 PRO CB C 13 31.3 0.2 A 12 PRO CD C 13 51.0 0.2 A 12 PRO CG C 13 27.0 0.2 A 13 GLU H H 1 8.39 0.02 A 13 GLU HA H 1 4.34 0.02 A 13 GLU HBy H 1 2.01 0.02 A 13 GLU HBx H 1 1.88 0.02 A 13 GLU HGx H 1 2.22 0.02 A 13 GLU HGy H 1 2.30 0.02 A 13 GLU C C 13 176.7 0.2 A 13 GLU CA C 13 55.6 0.2 A 13 GLU CB C 13 32.1 0.2 A 13 GLU CG C 13 36.0 0.2 A 13 GLU N N 15 120.8 0.2 A 14 GLY H H 1 8.36 0.02 A 14 GLY HAx H 1 3.83 0.02 A 14 GLY HAy H 1 4.33 0.02 A 14 GLY C C 13 174.1 0.2 A 14 GLY CA C 13 44.8 0.2 A 14 GLY N N 15 109.0 0.2 A 15 ASP H H 1 8.51 0.02 A 15 ASP HA H 1 4.68 0.02 A 15 ASP HBy H 1 2.81 0.02 A 15 ASP HBx H 1 2.61 0.02 A 15 ASP C C 13 177.0 0.2 A 15 ASP CA C 13 55.5 0.2 A 15 ASP CB C 13 41.4 0.2 A 15 ASP N N 15 118.8 0.2 A 16 GLU H H 1 8.39 0.02 A 16 GLU HA H 1 4.56 0.02 A 16 GLU HBy H 1 2.12 0.02 A 16 GLU HBx H 1 1.90 0.02 A 16 GLU HGx H 1 2.22 0.02 A 16 GLU HGy H 1 2.22 0.02 A 16 GLU C C 13 175.4 0.2 A 16 GLU CA C 13 55.6 0.2 A 16 GLU CB C 13 29.2 0.2 A 16 GLU CG C 13 36.0 0.2 A 16 GLU N N 15 120.1 0.2 A 17 VAL H H 1 7.51 0.02 A 17 VAL HA H 1 3.96 0.02 A 17 VAL HB H 1 1.90 0.02 A 17 VAL HGx% H 1 0.531 0.02 A 17 VAL HGy% H 1 0.58 0.02 A 17 VAL C C 13 174.5 0.2 A 17 VAL CA C 13 61.6 0.2 A 17 VAL CB C 13 33.2 0.2 A 17 VAL CGy C 13 21.73 0.2 A 17 VAL CGx C 13 20.9 0.2 A 17 VAL N N 15 120.1 0.2 A 18 ASP H H 1 7.87 0.02 A 18 ASP HA H 1 5.13 0.02 A 18 ASP HBy H 1 2.72 0.02 A 18 ASP HBx H 1 2.38 0.02 A 18 ASP C C 13 176.9 0.2 A 18 ASP CA C 13 54.2 0.2 A 18 ASP CB C 13 42.5 0.2 A 18 ASP N N 15 122.7 0.2 A 19 TRP H H 1 9.53 0.02 A 19 TRP HA H 1 5.64 0.02 A 19 TRP HBy H 1 3.68 0.02 A 19 TRP HBx H 1 3.14 0.02 A 19 TRP HD1 H 1 7.38 0.02 A 19 TRP HE1 H 1 10.18 0.02 A 19 TRP HE3 H 1 7.38 0.02 A 19 TRP HH2 H 1 6.70 0.02 A 19 TRP HZ2 H 1 7.40 0.02 A 19 TRP HZ3 H 1 6.48 0.02 A 19 TRP C C 13 176.2 0.2 A 19 TRP CA C 13 57.3 0.2 A 19 TRP CB C 13 34.1 0.2 A 19 TRP CD1 C 13 128.6 0.2 A 19 TRP CE3 C 13 120.0 0.2 A 19 TRP CH2 C 13 124.3 0.2 A 19 TRP CZ2 C 13 114.1 0.2 A 19 TRP CZ3 C 13 121.5 0.2 A 19 TRP N N 15 124.2 0.2 A 19 TRP NE1 N 15 130.6 0.2 A 20 VAL H H 1 10.26 0.02 A 20 VAL HA H 1 4.80 0.02 A 20 VAL HB H 1 1.87 0.02 A 20 VAL HGx% H 1 0.46 0.02 A 20 VAL HGy% H 1 0.97 0.02 A 20 VAL C C 13 170.8 0.2 A 20 VAL CA C 13 60.6 0.2 A 20 VAL CB C 13 35.3 0.2 A 20 VAL CGx C 13 18.9 0.2 A 20 VAL CGy C 13 22.1 0.2 A 20 VAL N N 15 121.5 0.2 A 21 GLN H H 1 8.52 0.02 A 21 GLN HA H 1 4.48 0.02 A 21 GLN HBy H 1 1.21 0.02 A 21 GLN HBx H 1 -0.75 0.02 A 21 GLN HE2y H 1 6.65 0.02 A 21 GLN HE2x H 1 6.55 0.02 A 21 GLN HGx H 1 0.58 0.02 A 21 GLN HGy H 1 1.84 0.02 A 21 GLN C C 13 175.3 0.2 A 21 GLN CA C 13 53.6 0.2 A 21 GLN CB C 13 28.3 0.2 A 21 GLN CD C 13 179.8 0.2 A 21 GLN CG C 13 32.7 0.2 A 21 GLN N N 15 131.3 0.2 A 21 GLN NE2 N 15 109.4 0.2 A 22 CYS H H 1 8.88 0.02 A 22 CYS HA H 1 4.50 0.02 A 22 CYS HBy H 1 3.29 0.02 A 22 CYS HBx H 1 3.05 0.02 A 22 CYS C C 13 176.1 0.2 A 22 CYS CA C 13 60.6 0.2 A 22 CYS CB C 13 31.3 0.2 A 22 CYS N N 15 127.4 0.2 A 23 ASP H H 1 9.83 0.02 A 23 ASP HA H 1 4.81 0.02 A 23 ASP HBx H 1 2.37 0.02 A 23 ASP HBy H 1 2.81 0.02 A 23 ASP C C 13 176.7 0.2 A 23 ASP CA C 13 55.3 0.2 A 23 ASP CB C 13 41.3 0.2 A 23 ASP N N 15 129.2 0.2 A 24 GLY H H 1 10.03 0.02 A 24 GLY HAx H 1 3.71 0.02 A 24 GLY HAy H 1 4.31 0.02 A 24 GLY C C 13 173.7 0.2 A 24 GLY CA C 13 43.7 0.2 A 24 GLY N N 15 116.3 0.2 A 25 SER H H 1 8.86 0.02 A 25 SER HA H 1 4.18 0.02 A 25 SER HBx H 1 3.93 0.02 A 25 SER HBy H 1 3.93 0.02 A 25 SER C C 13 176.6 0.2 A 25 SER CA C 13 61.0 0.2 A 25 SER CB C 13 63.7 0.2 A 25 SER N N 15 116.5 0.2 A 26 CYS H H 1 8.38 0.02 A 26 CYS HA H 1 4.40 0.02 A 26 CYS HBy H 1 3.20 0.02 A 26 CYS HBx H 1 2.79 0.02 A 26 CYS C C 13 176.5 0.2 A 26 CYS CA C 13 60.8 0.2 A 26 CYS CB C 13 29.6 0.2 A 26 CYS N N 15 122.0 0.2 A 27 ASN H H 1 7.47 0.02 A 27 ASN HA H 1 4.82 0.02 A 27 ASN HBx H 1 2.71 0.02 A 27 ASN HBy H 1 3.07 0.02 A 27 ASN HD2y H 1 7.55 0.02 A 27 ASN HD2x H 1 6.78 0.02 A 27 ASN C C 13 174.9 0.2 A 27 ASN CA C 13 54.8 0.2 A 27 ASN CB C 13 39.5 0.2 A 27 ASN CG C 13 177.7 0.2 A 27 ASN N N 15 117.0 0.2 A 27 ASN ND2 N 15 111.5 0.2 A 28 GLN H H 1 9.14 0.02 A 28 GLN HA H 1 4.36 0.02 A 28 GLN HBy H 1 2.38 0.02 A 28 GLN HBx H 1 1.75 0.02 A 28 GLN HE2y H 1 7.91 0.02 A 28 GLN HE2x H 1 6.94 0.02 A 28 GLN HGy H 1 2.56 0.02 A 28 GLN HGx H 1 2.24 0.02 A 28 GLN C C 13 174.6 0.2 A 28 GLN CA C 13 57.1 0.2 A 28 GLN CB C 13 31.5 0.2 A 28 GLN CD C 13 180.6 0.2 A 28 GLN CG C 13 35.8 0.2 A 28 GLN N N 15 120.7 0.2 A 28 GLN NE2 N 15 112.4 0.2 A 29 TRP H H 1 8.32 0.02 A 29 TRP HA H 1 4.95 0.02 A 29 TRP HBy H 1 3.07 0.02 A 29 TRP HBx H 1 2.75 0.02 A 29 TRP HD1 H 1 7.22 0.02 A 29 TRP HE1 H 1 10.05 0.02 A 29 TRP HE3 H 1 7.41 0.02 A 29 TRP HH2 H 1 7.20 0.02 A 29 TRP HZ2 H 1 7.35 0.02 A 29 TRP HZ3 H 1 7.00 0.02 A 29 TRP C C 13 175.4 0.2 A 29 TRP CA C 13 57.1 0.2 A 29 TRP CB C 13 30.5 0.2 A 29 TRP CD1 C 13 127.1 0.2 A 29 TRP CE3 C 13 119.5 0.2 A 29 TRP CH2 C 13 124.7 0.2 A 29 TRP CZ2 C 13 115.4 0.2 A 29 TRP CZ3 C 13 121.8 0.2 A 29 TRP N N 15 119.6 0.2 A 29 TRP NE1 N 15 130.1 0.2 A 30 PHE H H 1 9.78 0.02 A 30 PHE HA H 1 4.83 0.02 A 30 PHE HBy H 1 3.03 0.02 A 30 PHE HBx H 1 2.71 0.02 A 30 PHE HDx H 1 7.37 0.02 A 30 PHE HDy H 1 7.37 0.02 A 30 PHE HEx H 1 7.19 0.02 A 30 PHE HEy H 1 7.19 0.02 A 30 PHE HZ H 1 7.67 0.02 A 30 PHE C C 13 176.6 0.2 A 30 PHE CA C 13 56.4 0.2 A 30 PHE CB C 13 43.0 0.2 A 30 PHE CDx C 13 132.8 0.2 A 30 PHE CDy C 13 132.8 0.2 A 30 PHE CEx C 13 131.1 0.2 A 30 PHE CEy C 13 131.1 0.2 A 30 PHE CZ C 13 130.2 0.2 A 30 PHE N N 15 119.6 0.2 A 31 HIS H H 1 9.05 0.02 A 31 HIS HA H 1 4.23 0.02 A 31 HIS HBx H 1 2.99 0.02 A 31 HIS HBy H 1 4.53 0.02 A 31 HIS HE1 H 1 7.92 0.02 A 31 HIS C C 13 177.4 0.2 A 31 HIS CA C 13 57.1 0.2 A 31 HIS CB C 13 29.8 0.2 A 31 HIS CE1 C 13 138.1 0.2 A 31 HIS N N 15 123.6 0.2 A 32 GLN H H 1 8.40 0.02 A 32 GLN HA H 1 3.52 0.02 A 32 GLN HBy H 1 2.47 0.02 A 32 GLN HBx H 1 1.63 0.02 A 32 GLN HE2y H 1 6.77 0.02 A 32 GLN HE2x H 1 6.75 0.02 A 32 GLN HGx H 1 1.73 0.02 A 32 GLN HGy H 1 1.85 0.02 A 32 GLN C C 13 179.1 0.2 A 32 GLN CA C 13 60.6 0.2 A 32 GLN CB C 13 26.9 0.2 A 32 GLN CG C 13 35.0 0.2 A 32 GLN N N 15 124.1 0.2 A 32 GLN NE2 N 15 106.8 0.2 A 33 VAL H H 1 8.83 0.02 A 33 VAL HA H 1 4.07 0.02 A 33 VAL HB H 1 2.15 0.02 A 33 VAL HGx% H 1 1.03 0.02 A 33 VAL HGy% H 1 1.04 0.02 A 33 VAL C C 13 178.2 0.2 A 33 VAL CA C 13 64.4 0.2 A 33 VAL CB C 13 31.6 0.2 A 33 VAL CGy C 13 20.93 0.2 A 33 VAL CGx C 13 19.9 0.2 A 33 VAL N N 15 112.8 0.2 A 34 CYS H H 1 6.90 0.02 A 34 CYS HA H 1 4.08 0.02 A 34 CYS HBy H 1 3.16 0.02 A 34 CYS HBx H 1 3.12 0.02 A 34 CYS C C 13 177.1 0.2 A 34 CYS CA C 13 62.5 0.2 A 34 CYS CB C 13 29.5 0.2 A 34 CYS N N 15 120.9 0.2 A 35 VAL H H 1 7.13 0.02 A 35 VAL HA H 1 4.56 0.02 A 35 VAL HB H 1 2.37 0.02 A 35 VAL HGx% H 1 0.73 0.02 A 35 VAL HGy% H 1 0.34 0.02 A 35 VAL C C 13 176.2 0.2 A 35 VAL CA C 13 60.1 0.2 A 35 VAL CB C 13 31.8 0.2 A 35 VAL CGy C 13 22.5 0.2 A 35 VAL CGx C 13 17.9 0.2 A 35 VAL N N 15 106.5 0.2 A 36 GLY H H 1 7.53 0.02 A 36 GLY HAx H 1 3.84 0.02 A 36 GLY HAy H 1 3.95 0.02 A 36 GLY C C 13 174.6 0.2 A 36 GLY CA C 13 46.9 0.2 A 36 GLY N N 15 109.8 0.2 A 37 VAL H H 1 7.50 0.02 A 37 VAL HA H 1 4.33 0.02 A 37 VAL HB H 1 1.55 0.02 A 37 VAL HGx% H 1 0.78 0.02 A 37 VAL HGy% H 1 0.62 0.02 A 37 VAL C C 13 174 0.2 A 37 VAL CA C 13 60.8 0.2 A 37 VAL CB C 13 34.2 0.2 A 37 VAL CGx C 13 21.5 0.2 A 37 VAL CGy C 13 22.1 0.2 A 37 VAL N N 15 119.0 0.2 A 38 SER H H 1 7.90 0.02 A 38 SER HA H 1 4.90 0.02 A 38 SER HBx H 1 3.92 0.02 A 38 SER HBy H 1 4.26 0.02 A 38 SER C C 13 174.1 0.2 A 38 SER CA C 13 55.5 0.2 A 38 SER CB C 13 63.8 0.2 A 38 SER N N 15 122.0 0.2 A 39 PRO HA H 1 4.36 0.02 A 39 PRO HBx H 1 1.94 0.02 A 39 PRO HBy H 1 2.44 0.02 A 39 PRO HDx H 1 3.86 0.02 A 39 PRO HDy H 1 3.96 0.02 A 39 PRO HGx H 1 2.14 0.02 A 39 PRO HGy H 1 2.14 0.02 A 39 PRO C C 13 179.3 0.2 A 39 PRO CA C 13 65.6 0.2 A 39 PRO CB C 13 31.9 0.2 A 39 PRO CD C 13 50.4 0.2 A 39 PRO CG C 13 27.9 0.2 A 40 GLU H H 1 8.49 0.02 A 40 GLU HA H 1 4.16 0.02 A 40 GLU HBx H 1 1.97 0.02 A 40 GLU HBy H 1 2.04 0.02 A 40 GLU HGx H 1 2.31 0.02 A 40 GLU HGy H 1 2.31 0.02 A 40 GLU C C 13 178.5 0.2 A 40 GLU CA C 13 59.1 0.2 A 40 GLU CB C 13 29.2 0.2 A 40 GLU CG C 13 36.3 0.2 A 40 GLU N N 15 116.6 0.2 A 41 MET H H 1 7.69 0.02 A 41 MET HA H 1 4.26 0.02 A 41 MET HBx H 1 2.21 0.02 A 41 MET HBy H 1 2.21 0.02 A 41 MET HE% H 1 2.18 0.02 A 41 MET HGy H 1 2.67 0.02 A 41 MET HGx H 1 2.55 0.02 A 41 MET C C 13 178.2 0.2 A 41 MET CA C 13 57.3 0.2 A 41 MET CB C 13 33.4 0.2 A 41 MET CG C 13 32.1 0.2 A 41 MET N N 15 119.3 0.2 A 42 ALA H H 1 8.27 0.02 A 42 ALA HA H 1 4.14 0.02 A 42 ALA HB% H 1 1.42 0.02 A 42 ALA C C 13 179.1 0.2 A 42 ALA CA C 13 54.4 0.2 A 42 ALA CB C 13 18.6 0.2 A 42 ALA N N 15 121.9 0.2 A 43 GLU H H 1 7.80 0.02 A 43 GLU HA H 1 4.33 0.02 A 43 GLU HBy H 1 2.16 0.02 A 43 GLU HBx H 1 2.10 0.02 A 43 GLU HGx H 1 2.31 0.02 A 43 GLU HGy H 1 2.40 0.02 A 43 GLU C C 13 177.6 0.2 A 43 GLU CA C 13 57.5 0.2 A 43 GLU CB C 13 30.2 0.2 A 43 GLU CG C 13 36.1 0.2 A 43 GLU N N 15 115.1 0.2 A 44 LYS H H 1 7.77 0.02 A 44 LYS HA H 1 4.33 0.02 A 44 LYS HBy H 1 1.92 0.02 A 44 LYS HBx H 1 1.91 0.02 A 44 LYS HDx H 1 1.71 0.02 A 44 LYS HDy H 1 1.71 0.02 A 44 LYS HEx H 1 3.02 0.02 A 44 LYS HEy H 1 3.03 0.02 A 44 LYS HGy H 1 1.57 0.02 A 44 LYS HGx H 1 1.50 0.02 A 44 LYS C C 13 176.2 0.2 A 44 LYS CA C 13 57.5 0.2 A 44 LYS CB C 13 34.4 0.2 A 44 LYS CD C 13 29.2 0.2 A 44 LYS CE C 13 42.0 0.2 A 44 LYS CG C 13 25.3 0.2 A 44 LYS N N 15 117.6 0.2 A 45 GLU H H 1 8.10 0.02 A 45 GLU HA H 1 4.63 0.02 A 45 GLU HBy H 1 2.13 0.02 A 45 GLU HBx H 1 1.96 0.02 A 45 GLU HGx H 1 2.29 0.02 A 45 GLU HGy H 1 2.29 0.02 A 45 GLU C C 13 175.4 0.2 A 45 GLU CA C 13 54.9 0.2 A 45 GLU CB C 13 32.02 0.2 A 45 GLU CG C 13 35.7 0.2 A 45 GLU N N 15 118.2 0.2 A 46 ASP H H 1 8.46 0.02 A 46 ASP HA H 1 4.78 0.02 A 46 ASP HBx H 1 2.49 0.02 A 46 ASP HBy H 1 2.49 0.02 A 46 ASP C C 13 175.9 0.2 A 46 ASP CA C 13 54.2 0.2 A 46 ASP CB C 13 41.0 0.2 A 46 ASP N N 15 121.6 0.2 A 47 TYR H H 1 9.08 0.02 A 47 TYR HA H 1 4.55 0.02 A 47 TYR HBy H 1 2.94 0.02 A 47 TYR HBx H 1 2.71 0.02 A 47 TYR HDx H 1 6.72 0.02 A 47 TYR HDy H 1 6.72 0.02 A 47 TYR HEx H 1 6.11 0.02 A 47 TYR HEy H 1 6.11 0.02 A 47 TYR C C 13 172.2 0.2 A 47 TYR CA C 13 58.0 0.2 A 47 TYR CB C 13 39.8 0.2 A 47 TYR CDx C 13 132.7 0.2 A 47 TYR CDy C 13 132.7 0.2 A 47 TYR CEx C 13 116.9 0.2 A 47 TYR CEy C 13 116.9 0.2 A 47 TYR N N 15 124.6 0.2 A 48 ILE H H 1 7.33 0.02 A 48 ILE HA H 1 4.47 0.02 A 48 ILE HB H 1 1.47 0.02 A 48 ILE HD1% H 1 0.65 0.02 A 48 ILE HG1y H 1 1.26 0.02 A 48 ILE HG1x H 1 0.90 0.02 A 48 ILE HG2% H 1 0.67 0.02 A 48 ILE C C 13 174.8 0.2 A 48 ILE CA C 13 58.6 0.2 A 48 ILE CB C 13 38.3 0.2 A 48 ILE CD1 C 13 12.1 0.2 A 48 ILE CG1 C 13 27.2 0.2 A 48 ILE CG2 C 13 18.4 0.2 A 48 ILE N N 15 128.0 0.2 A 49 CYS H H 1 9.26 0.02 A 49 CYS HA H 1 4.16 0.02 A 49 CYS HBy H 1 3.10 0.02 A 49 CYS HBx H 1 2.48 0.02 A 49 CYS C C 13 176.4 0.2 A 49 CYS CA C 13 58.5 0.2 A 49 CYS CB C 13 31.8 0.2 A 49 CYS N N 15 130.1 0.2 A 50 VAL H H 1 7.89 0.02 A 50 VAL HA H 1 3.80 0.02 A 50 VAL HB H 1 2.154 0.02 A 50 VAL HGx% H 1 1.07 0.02 A 50 VAL HGy% H 1 1.057 0.02 A 50 VAL C C 13 177.9 0.2 A 50 VAL CA C 13 65.3 0.2 A 50 VAL CB C 13 31.8 0.2 A 50 VAL CGx C 13 20.93 0.2 A 50 VAL CGy C 13 20.93 0.2 A 50 VAL N N 15 116.1 0.2 A 51 ARG H H 1 8.24 0.02 A 51 ARG HA H 1 4.24 0.02 A 51 ARG HBy H 1 2.10 0.02 A 51 ARG HBx H 1 1.98 0.02 A 51 ARG HDx H 1 3.30 0.02 A 51 ARG HDy H 1 3.30 0.02 A 51 ARG HGx H 1 1.71 0.02 A 51 ARG HGy H 1 1.86 0.02 A 51 ARG C C 13 178.9 0.2 A 51 ARG CA C 13 59.0 0.2 A 51 ARG CB C 13 30.3 0.2 A 51 ARG CD C 13 43.4 0.2 A 51 ARG CG C 13 27.99 0.2 A 51 ARG N N 15 121.8 0.2 A 52 CYS H H 1 8.67 0.02 A 52 CYS HA H 1 4.02 0.02 A 52 CYS HBy H 1 3.18 0.02 A 52 CYS HBx H 1 2.84 0.02 A 52 CYS C C 13 176.5 0.2 A 52 CYS CA C 13 63.4 0.2 A 52 CYS CB C 13 30.1 0.2 A 52 CYS N N 15 123.7 0.2 A 53 THR H H 1 7.88 0.02 A 53 THR HA H 1 3.86 0.02 A 53 THR HB H 1 4.10 0.02 A 53 THR HG2% H 1 1.13 0.02 A 53 THR C C 13 174.9 0.2 A 53 THR CA C 13 65.2 0.2 A 53 THR CB C 13 69.4 0.2 A 53 THR CG2 C 13 21.0 0.2 A 53 THR N N 15 115.8 0.2 A 54 VAL H H 1 7.57 0.02 A 54 VAL HA H 1 4.02 0.02 A 54 VAL HB H 1 2.12 0.02 A 54 VAL HGx% H 1 0.94 0.02 A 54 VAL HGy% H 1 1.00 0.02 A 54 VAL C C 13 176.6 0.2 A 54 VAL CA C 13 63.2 0.2 A 54 VAL CB C 13 32.4 0.2 A 54 VAL CGy C 13 21.1 0.2 A 54 VAL CGx C 13 20.9 0.2 A 54 VAL N N 15 120.9 0.2 A 55 LYS H H 1 8.13 0.02 A 55 LYS HA H 1 4.21 0.02 A 55 LYS HBx H 1 1.79 0.02 A 55 LYS HBy H 1 1.79 0.02 A 55 LYS HDx H 1 1.65 0.02 A 55 LYS HDy H 1 1.65 0.02 A 55 LYS HEx H 1 3.00 0.02 A 55 LYS HEy H 1 3.00 0.02 A 55 LYS HGx H 1 1.42 0.02 A 55 LYS HGy H 1 1.46 0.02 A 55 LYS C C 13 176.7 0.2 A 55 LYS CA C 13 57.2 0.2 A 55 LYS CB C 13 33.1 0.2 A 55 LYS CD C 13 29.1 0.2 A 55 LYS CE C 13 42.1 0.2 A 55 LYS CG C 13 24.6 0.2 A 55 LYS N N 15 123.1 0.2 A 56 ASP H H 1 8.30 0.02 A 56 ASP HA H 1 4.58 0.02 A 56 ASP HBx H 1 2.63 0.02 A 56 ASP HBy H 1 2.70 0.02 A 56 ASP C C 13 175.6 0.2 A 56 ASP CA C 13 54.3 0.2 A 56 ASP CB C 13 40.8 0.2 A 56 ASP N N 15 119.6 0.2 A 57 ALA H H 1 7.89 0.02 A 57 ALA HA H 1 4.54 0.02 A 57 ALA HB% H 1 1.38 0.02 A 57 ALA CA C 13 51.1 0.2 A 57 ALA CB C 13 18.2 0.2 A 57 ALA N N 15 124.7 0.2 A 58 PRO HA H 1 4.45 0.02 A 58 PRO HBy H 1 2.32 0.02 A 58 PRO HBx H 1 1.92 0.02 A 58 PRO HDy H 1 3.80 0.02 A 58 PRO HDx H 1 3.66 0.02 A 58 PRO HGx H 1 2.03 0.02 A 58 PRO HGy H 1 2.03 0.02 A 58 PRO C C 13 177.1 0.2 A 58 PRO CA C 13 63.5 0.2 A 58 PRO CB C 13 31.9 0.2 A 58 PRO CD C 13 50.6 0.2 A 58 PRO CG C 13 27.4 0.2 A 59 SER H H 1 8.32 0.02 A 59 SER HA H 1 4.43 0.02 A 59 SER HBx H 1 3.89 0.02 A 59 SER HBy H 1 3.89 0.02 A 59 SER C C 13 174.5 0.2 A 59 SER CA C 13 58.3 0.2 A 59 SER CB C 13 63.7 0.2 A 59 SER N N 15 115.5 0.2 A 60 ARG H H 1 8.30 0.02 A 60 ARG HA H 1 4.39 0.02 A 60 ARG HBy H 1 1.91 0.02 A 60 ARG HBx H 1 1.77 0.02 A 60 ARG HDx H 1 3.21 0.02 A 60 ARG HDy H 1 3.21 0.02 A 60 ARG HGx H 1 1.66 0.02 A 60 ARG HGy H 1 1.66 0.02 A 60 ARG C C 13 175.3 0.2 A 60 ARG CA C 13 55.9 0.2 A 60 ARG CB C 13 30.8 0.2 A 60 ARG CD C 13 43.2 0.2 A 60 ARG CG C 13 27.0 0.2 A 60 ARG N N 15 123.6 0.2 A 61 LYS H H 1 7.98 0.02 A 61 LYS HA H 1 4.15 0.02 A 61 LYS HBy H 1 1.82 0.02 A 61 LYS HBx H 1 1.70 0.02 A 61 LYS HDx H 1 1.70 0.02 A 61 LYS HDy H 1 1.70 0.02 A 61 LYS HEx H 1 3.01 0.02 A 61 LYS HEy H 1 3.01 0.02 A 61 LYS HGx H 1 1.42 0.02 A 61 LYS HGy H 1 1.42 0.02 A 61 LYS CA C 13 57.7 0.2 A 61 LYS CB C 13 33.6 0.2 A 61 LYS CD C 13 29.2 0.2 A 61 LYS CE C 13 42.1 0.2 A 61 LYS CG C 13 24.6 0.2 A 61 LYS N N 15 128.0 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 HIS HA A 3 MET H 1.0 1.80 3.30 2 2 A 3 MET H A 3 MET HBx 1.0 1.80 3.54 3 2 A 3 MET H A 3 MET HBy 1.0 1.80 3.54 4 3 A 3 MET H A 3 MET HGx 1.0 1.80 4.44 5 3 A 3 MET H A 3 MET HGy 1.0 1.80 4.44 6 4 A 4 CYS HA A 5 PRO HDx 1.0 1.80 3.36 7 4 A 4 CYS HA A 5 PRO HDy 1.0 1.80 3.36 8 5 A 6 ALA H A 6 ALA HB% 1.0 1.80 3.06 9 6 A 6 ALA HA A 7 VAL H 1.0 1.80 3.44 10 7 A 6 ALA HB% A 7 VAL H 1.0 1.80 3.74 11 8 A 6 ALA HB% A 8 SER H 1.0 1.80 3.94 12 9 A 6 ALA HB% A 9 CYS HA 1.0 1.80 4.24 13 10 A 6 ALA HB% A 9 CYS HBy 1.0 1.80 4.12 14 10 A 6 ALA HB% A 9 CYS HBx 1.0 1.80 4.12 15 11 A 6 ALA H A 9 CYS HBy 1.0 1.79 4.67 16 11 A 6 ALA H A 9 CYS HBx 1.0 1.79 4.67 17 12 A 6 ALA H A 9 CYS HBx 1.0 1.80 5.44 18 13 A 6 ALA H A 9 CYS HBy 1.0 1.80 5.44 19 14 A 6 ALA HA A 30 PHE HD% 1.0 1.80 5.08 20 15 A 6 ALA HB% A 30 PHE HD% 1.0 1.80 3.96 21 16 A 6 ALA H A 30 PHE HD% 1.0 1.80 4.86 22 17 A 6 ALA HA A 30 PHE HE% 1.0 1.80 4.12 23 18 A 6 ALA HB% A 30 PHE HE% 1.0 1.80 4.38 24 19 A 6 ALA H A 30 PHE HE% 1.0 1.80 4.40 25 20 A 6 ALA HB% A 34 CYS HBy 1.0 1.80 3.88 26 20 A 6 ALA HB% A 34 CYS HBx 1.0 1.80 3.88 27 21 A 6 ALA HB% A 35 VAL HGx% 1.0 1.80 3.54 28 22 A 7 VAL H A 7 VAL HB 1.0 1.80 3.54 29 23 A 7 VAL HA A 7 VAL HGx% 1.0 1.80 3.44 30 24 A 7 VAL H A 7 VAL HGx% 1.0 1.81 3.97 31 25 A 7 VAL HA A 7 VAL HGy% 1.0 1.80 3.40 32 26 A 7 VAL H A 7 VAL HGy% 1.0 1.79 3.33 33 27 A 8 SER H A 7 VAL HB 1.0 1.80 4.12 34 28 A 7 VAL H A 8 SER H 1.0 1.79 3.91 35 29 A 8 SER H A 7 VAL HGx% 1.0 1.81 3.97 36 30 A 8 SER H A 7 VAL HGy% 1.0 1.80 4.38 37 31 A 8 SER H A 8 SER HBx 1.0 1.81 3.65 38 31 A 8 SER H A 8 SER HBy 1.0 1.81 3.65 39 32 A 8 SER H A 9 CYS H 1.0 1.79 4.37 40 33 A 9 CYS H A 9 CYS HBy 1.0 1.81 3.61 41 33 A 9 CYS HBx A 9 CYS H 1.0 1.81 3.61 42 34 A 9 CYS HBx A 9 CYS H 1.0 1.80 4.12 43 35 A 9 CYS H A 9 CYS HBy 1.0 1.80 4.12 44 36 A 9 CYS HA A 10 LEU H 1.0 1.80 3.54 45 37 A 9 CYS HA A 34 CYS HBy 1.0 1.80 4.70 46 37 A 9 CYS HA A 34 CYS HBx 1.0 1.80 4.70 47 38 A 9 CYS HBy A 34 CYS HBy 1.0 1.80 5.18 48 38 A 9 CYS HBx A 34 CYS HBy 1.0 1.80 5.18 49 38 A 34 CYS HBx A 9 CYS HBy 1.0 1.80 5.18 50 38 A 9 CYS HBx A 34 CYS HBx 1.0 1.80 5.18 51 39 A 9 CYS HA A 34 CYS HBx 1.0 1.80 5.40 52 40 A 9 CYS HA A 34 CYS HBy 1.0 1.80 5.40 53 41 A 10 LEU H A 10 LEU HBx 1.0 1.80 3.68 54 41 A 10 LEU H A 10 LEU HBy 1.0 1.80 3.68 55 42 A 10 LEU HDx% A 10 LEU HBx 1.0 1.80 3.62 56 43 A 10 LEU HBy A 10 LEU HDx% 1.0 1.80 3.62 57 44 A 10 LEU HA A 10 LEU HDy% 1.0 1.80 3.12 58 45 A 10 LEU HA A 10 LEU HG 1.0 1.80 4.22 59 46 A 10 LEU H A 10 LEU HG 1.0 1.80 4.20 60 47 A 10 LEU H A 11 GLN H 1.0 1.80 4.54 61 48 A 10 LEU HBy A 12 PRO HDy 1.0 1.80 4.30 62 48 A 10 LEU HBx A 12 PRO HDy 1.0 1.80 4.30 63 48 A 12 PRO HDx A 10 LEU HBx 1.0 1.80 4.30 64 48 A 10 LEU HBy A 12 PRO HDx 1.0 1.80 4.30 65 49 A 10 LEU HDx% A 33 VAL HA 1.0 1.80 4.66 66 50 A 10 LEU HDx% A 33 VAL HB 1.0 1.80 4.24 67 51 A 33 VAL HGy% A 10 LEU HBx 1.0 1.79 4.75 68 52 A 10 LEU HBy A 33 VAL HGy% 1.0 1.79 4.75 69 53 A 33 VAL HGy% A 10 LEU HBx 1.0 1.81 3.97 70 53 A 10 LEU HBy A 33 VAL HGy% 1.0 1.81 3.97 71 54 A 10 LEU HG A 33 VAL HGy% 1.0 1.80 4.22 72 55 A 10 LEU HG A 34 CYS HA 1.0 1.79 4.71 73 56 A 10 LEU HDx% A 34 CYS HA 1.0 1.80 4.44 74 57 A 11 GLN HA A 11 GLN HE2y 1.0 1.79 4.63 75 58 A 11 GLN H A 11 GLN HGy 1.0 1.79 4.13 76 58 A 11 GLN H A 11 GLN HGx 1.0 1.79 4.13 77 59 A 11 GLN H A 11 GLN HGy 1.0 1.80 4.76 78 60 A 11 GLN H A 11 GLN HGx 1.0 1.80 4.76 79 61 A 11 GLN HA A 12 PRO HDy 1.0 1.80 3.48 80 61 A 12 PRO HDx A 11 GLN HA 1.0 1.80 3.48 81 62 A 11 GLN H A 12 PRO HDy 1.0 1.80 4.38 82 63 A 11 GLN H A 12 PRO HDx 1.0 1.80 4.38 83 64 A 12 PRO HA A 13 GLU H 1.0 1.80 2.80 84 65 A 13 GLU H A 12 PRO HBy 1.0 1.79 4.13 85 66 A 13 GLU H A 12 PRO HBx 1.0 1.79 4.13 86 67 A 17 VAL HGx% A 12 PRO HBy 1.0 1.80 4.24 87 67 A 12 PRO HBx A 17 VAL HGx% 1.0 1.80 4.24 88 68 A 17 VAL HGy% A 12 PRO HBy 1.0 1.81 3.93 89 68 A 12 PRO HBx A 17 VAL HGy% 1.0 1.81 3.93 90 69 A 17 VAL HGy% A 12 PRO HGx 1.0 1.80 3.66 91 69 A 17 VAL HGy% A 12 PRO HGy 1.0 1.80 3.66 92 70 A 12 PRO HGx A 31 HIS HBy 1.0 1.80 4.14 93 70 A 12 PRO HGy A 31 HIS HBy 1.0 1.80 4.14 94 70 A 31 HIS HBx A 12 PRO HGx 1.0 1.80 4.14 95 70 A 12 PRO HGy A 31 HIS HBx 1.0 1.80 4.14 96 71 A 33 VAL HGy% A 12 PRO HBy 1.0 1.80 4.30 97 71 A 33 VAL HGy% A 12 PRO HBx 1.0 1.80 4.30 98 72 A 33 VAL HGy% A 12 PRO HDy 1.0 1.80 4.12 99 72 A 12 PRO HDx A 33 VAL HGy% 1.0 1.80 4.12 100 73 A 13 GLU H A 13 GLU HBy 1.0 1.80 3.50 101 73 A 13 GLU H A 13 GLU HBx 1.0 1.80 3.50 102 74 A 13 GLU H A 13 GLU HBx 1.0 1.80 4.02 103 75 A 13 GLU H A 13 GLU HBy 1.0 1.80 4.02 104 76 A 13 GLU HA A 13 GLU HGx 1.0 1.80 3.62 105 76 A 13 GLU HA A 13 GLU HGy 1.0 1.80 3.62 106 77 A 13 GLU H A 13 GLU HGy 1.0 1.80 4.20 107 78 A 13 GLU H A 13 GLU HGx 1.0 1.80 4.20 108 79 A 13 GLU HA A 14 GLY H 1.0 1.80 3.34 109 80 A 13 GLU HBx A 14 GLY H 1.0 1.79 4.37 110 81 A 14 GLY H A 13 GLU HBy 1.0 1.79 4.37 111 82 A 14 GLY H A 13 GLU HBy 1.0 1.80 3.78 112 82 A 13 GLU HBx A 14 GLY H 1.0 1.80 3.78 113 83 A 14 GLY H A 13 GLU HGx 1.0 1.79 4.55 114 83 A 13 GLU HGy A 14 GLY H 1.0 1.79 4.55 115 84 A 16 GLU H A 14 GLY HAx 1.0 1.79 4.33 116 84 A 14 GLY HAy A 16 GLU H 1.0 1.79 4.33 117 85 A 15 ASP H A 15 ASP HBy 1.0 1.80 3.40 118 85 A 15 ASP H A 15 ASP HBx 1.0 1.80 3.40 119 86 A 16 GLU H A 15 ASP HBx 1.0 1.79 4.59 120 87 A 16 GLU H A 15 ASP HBy 1.0 1.79 4.59 121 88 A 16 GLU H A 15 ASP HBy 1.0 1.80 3.96 122 88 A 16 GLU H A 15 ASP HBx 1.0 1.80 3.96 123 89 A 16 GLU H A 15 ASP H 1.0 1.80 3.62 124 90 A 16 GLU H A 16 GLU HBy 1.0 1.80 3.48 125 90 A 16 GLU H A 16 GLU HBx 1.0 1.80 3.48 126 91 A 16 GLU H A 16 GLU HBx 1.0 1.80 4.10 127 92 A 16 GLU H A 16 GLU HBy 1.0 1.80 4.10 128 93 A 16 GLU H A 16 GLU HGx 1.0 1.80 4.12 129 93 A 16 GLU H A 16 GLU HGy 1.0 1.80 4.12 130 94 A 17 VAL HGy% A 16 GLU H 1.0 1.79 4.55 131 95 A 17 VAL H A 16 GLU HBy 1.0 1.80 4.20 132 95 A 16 GLU HBx A 17 VAL H 1.0 1.80 4.20 133 96 A 17 VAL H A 16 GLU HGx 1.0 1.79 4.55 134 96 A 16 GLU HGy A 17 VAL H 1.0 1.79 4.55 135 97 A 16 GLU H A 17 VAL H 1.0 1.80 3.62 136 98 A 17 VAL H A 17 VAL HB 1.0 1.79 4.17 137 99 A 17 VAL HGx% A 17 VAL HA 1.0 1.79 3.91 138 100 A 17 VAL HGy% A 17 VAL HA 1.0 1.80 3.74 139 101 A 17 VAL HGy% A 17 VAL H 1.0 1.80 3.26 140 102 A 17 VAL HA A 18 ASP H 1.0 1.80 2.86 141 103 A 17 VAL HB A 18 ASP H 1.0 1.80 3.98 142 104 A 17 VAL H A 18 ASP H 1.0 1.79 4.79 143 105 A 17 VAL HGx% A 18 ASP H 1.0 1.79 4.09 144 106 A 17 VAL HGy% A 18 ASP H 1.0 1.81 3.97 145 107 A 17 VAL HGy% A 19 TRP HE1 1.0 1.80 4.24 146 108 A 33 VAL HGy% A 17 VAL HGx% 1.0 1.80 4.34 147 109 A 18 ASP H A 18 ASP HBy 1.0 1.80 3.34 148 109 A 18 ASP H A 18 ASP HBx 1.0 1.80 3.34 149 110 A 18 ASP HA A 19 TRP H 1.0 1.80 3.16 150 111 A 19 TRP H A 18 ASP HBy 1.0 1.80 4.12 151 111 A 18 ASP HBx A 19 TRP H 1.0 1.80 4.12 152 112 A 18 ASP HBx A 32 GLN HBx 1.0 1.80 4.46 153 112 A 32 GLN HBy A 18 ASP HBy 1.0 1.80 4.46 154 112 A 18 ASP HBx A 32 GLN HBy 1.0 1.80 4.46 155 112 A 18 ASP HBy A 32 GLN HBx 1.0 1.80 4.46 156 113 A 32 GLN HE2y A 18 ASP HBy 1.0 1.80 4.50 157 113 A 18 ASP HBx A 32 GLN HE2y 1.0 1.80 4.50 158 114 A 32 GLN HE2x A 18 ASP HBy 1.0 1.80 5.18 159 114 A 18 ASP HBx A 32 GLN HE2x 1.0 1.80 5.18 160 115 A 19 TRP H A 19 TRP HBx 1.0 1.80 3.62 161 115 A 19 TRP H A 19 TRP HBy 1.0 1.80 3.62 162 116 A 19 TRP H A 19 TRP HD1 1.0 1.80 4.00 163 117 A 19 TRP HA A 20 VAL HB 1.0 1.80 4.84 164 118 A 19 TRP HA A 20 VAL H 1.0 1.80 3.38 165 119 A 20 VAL H A 19 TRP HBx 1.0 1.81 3.89 166 119 A 19 TRP HBy A 20 VAL H 1.0 1.81 3.89 167 120 A 19 TRP HD1 A 20 VAL H 1.0 1.80 4.92 168 121 A 19 TRP HE3 A 29 TRP HBx 1.0 1.79 4.75 169 121 A 19 TRP HE3 A 29 TRP HBy 1.0 1.79 4.75 170 122 A 29 TRP HE3 A 19 TRP HBx 1.0 1.79 4.41 171 123 A 19 TRP HBy A 29 TRP HE3 1.0 1.79 4.41 172 124 A 29 TRP HE3 A 19 TRP HZ3 1.0 1.80 4.64 173 125 A 19 TRP HE3 A 29 TRP HZ3 1.0 1.80 4.40 174 126 A 19 TRP HA A 31 HIS HA 1.0 1.81 3.89 175 127 A 19 TRP HA A 32 GLN HGy 1.0 1.80 5.08 176 127 A 19 TRP HA A 32 GLN HGx 1.0 1.80 5.08 177 128 A 19 TRP HA A 32 GLN H 1.0 1.81 3.93 178 129 A 20 VAL H A 20 VAL HGx% 1.0 1.80 3.40 179 130 A 20 VAL HA A 20 VAL HGy% 1.0 1.81 3.85 180 131 A 20 VAL H A 20 VAL HGy% 1.0 1.80 4.66 181 132 A 20 VAL HA A 21 GLN H 1.0 1.81 3.57 182 133 A 20 VAL HGy% A 21 GLN H 1.0 1.80 4.32 183 134 A 20 VAL H A 29 TRP HE3 1.0 1.80 5.36 184 135 A 20 VAL HGx% A 30 PHE HBx 1.0 1.79 3.87 185 135 A 20 VAL HGx% A 30 PHE HBy 1.0 1.79 3.87 186 136 A 20 VAL HGx% A 30 PHE HBx 1.0 1.80 4.48 187 137 A 20 VAL HGx% A 30 PHE HBy 1.0 1.80 4.48 188 138 A 20 VAL H A 30 PHE H 1.0 1.79 4.25 189 139 A 20 VAL HGx% A 32 GLN HA 1.0 1.80 3.96 190 140 A 20 VAL HGx% A 32 GLN HGy 1.0 1.80 4.50 191 140 A 32 GLN HGx A 20 VAL HGx% 1.0 1.80 4.50 192 141 A 20 VAL HGx% A 35 VAL HGy% 1.0 1.80 3.28 193 142 A 20 VAL HGy% A 35 VAL HGy% 1.0 1.79 4.59 194 143 A 20 VAL HGx% A 37 VAL HB 1.0 1.79 4.41 195 144 A 20 VAL HB A 37 VAL HGx% 1.0 1.79 4.79 196 145 A 20 VAL HGx% A 37 VAL HGx% 1.0 1.79 3.91 197 146 A 20 VAL HGy% A 37 VAL HGx% 1.0 1.80 4.00 198 147 A 20 VAL HGx% A 37 VAL HGy% 1.0 1.80 3.70 199 148 A 20 VAL HGy% A 42 ALA HA 1.0 1.79 4.55 200 149 A 20 VAL HB A 42 ALA HB% 1.0 1.80 4.04 201 150 A 20 VAL HGy% A 42 ALA HB% 1.0 1.80 4.00 202 151 A 20 VAL HGx% A 47 TYR HBy 1.0 1.80 4.50 203 151 A 20 VAL HGx% A 47 TYR HBx 1.0 1.80 4.50 204 152 A 20 VAL HGy% A 47 TYR HBx 1.0 1.80 4.24 205 153 A 20 VAL HGy% A 47 TYR HBy 1.0 1.80 4.24 206 154 A 20 VAL HGx% A 47 TYR HD% 1.0 1.80 4.42 207 155 A 21 GLN HA A 22 CYS H 1.0 1.81 3.27 208 156 A 22 CYS H A 21 GLN HGy 1.0 1.80 4.42 209 157 A 22 CYS H A 21 GLN HGx 1.0 1.80 4.42 210 158 A 22 CYS H A 21 GLN HGy 1.0 1.80 3.76 211 158 A 22 CYS H A 21 GLN HGx 1.0 1.80 3.76 212 159 A 21 GLN H A 22 CYS H 1.0 1.80 4.88 213 160 A 21 GLN HA A 29 TRP HA 1.0 1.80 3.70 214 161 A 21 GLN HE2y A 29 TRP HE1 1.0 1.80 4.24 215 162 A 29 TRP HE1 A 21 GLN HE2x 1.0 1.80 4.26 216 163 A 30 PHE HD% A 21 GLN HA 1.0 1.79 4.87 217 164 A 22 CYS H A 22 CYS HBx 1.0 1.80 3.68 218 165 A 22 CYS H A 22 CYS HBy 1.0 1.80 3.68 219 166 A 22 CYS HA A 23 ASP H 1.0 1.80 3.48 220 167 A 22 CYS HA A 24 GLY H 1.0 1.80 4.52 221 168 A 27 ASN H A 22 CYS HBx 1.0 1.80 4.84 222 169 A 27 ASN H A 22 CYS HBy 1.0 1.80 4.84 223 170 A 27 ASN H A 22 CYS HBy 1.0 1.80 4.12 224 170 A 27 ASN H A 22 CYS HBx 1.0 1.80 4.12 225 171 A 28 GLN H A 22 CYS HBy 1.0 1.80 3.68 226 171 A 22 CYS HBx A 28 GLN H 1.0 1.80 3.68 227 172 A 22 CYS H A 28 GLN H 1.0 1.80 5.04 228 173 A 22 CYS H A 29 TRP HA 1.0 1.80 4.80 229 174 A 30 PHE HD% A 22 CYS HBy 1.0 1.79 4.55 230 174 A 30 PHE HD% A 22 CYS HBx 1.0 1.79 4.55 231 175 A 30 PHE HD% A 22 CYS H 1.0 1.80 4.50 232 176 A 30 PHE HE% A 22 CYS HA 1.0 1.80 5.50 233 177 A 30 PHE HE% A 22 CYS HBy 1.0 1.81 3.73 234 177 A 30 PHE HE% A 22 CYS HBx 1.0 1.81 3.73 235 178 A 30 PHE HE% A 22 CYS H 1.0 1.79 4.71 236 179 A 47 TYR HD% A 22 CYS HA 1.0 1.80 4.00 237 180 A 23 ASP H A 24 GLY H 1.0 1.80 3.74 238 181 A 26 CYS H A 24 GLY HAy 1.0 1.79 5.21 239 182 A 26 CYS H A 24 GLY HAx 1.0 1.79 5.21 240 183 A 26 CYS H A 24 GLY HAx 1.0 1.80 4.38 241 183 A 26 CYS H A 24 GLY HAy 1.0 1.80 4.38 242 184 A 24 GLY H A 48 ILE HA 1.0 1.80 5.24 243 185 A 24 GLY H A 48 ILE HG1y 1.0 1.80 5.34 244 185 A 24 GLY H A 48 ILE HG1x 1.0 1.80 5.34 245 186 A 24 GLY HAy A 48 ILE HG2% 1.0 1.80 4.44 246 187 A 48 ILE HG2% A 24 GLY HAx 1.0 1.80 4.44 247 188 A 24 GLY H A 48 ILE HG2% 1.0 1.80 4.66 248 189 A 52 CYS HA A 24 GLY HAx 1.0 1.80 4.84 249 189 A 24 GLY HAy A 52 CYS HA 1.0 1.80 4.84 250 190 A 24 GLY HAx A 52 CYS HBy 1.0 1.80 4.36 251 190 A 24 GLY HAy A 52 CYS HBy 1.0 1.80 4.36 252 190 A 52 CYS HBx A 24 GLY HAx 1.0 1.80 4.36 253 190 A 24 GLY HAy A 52 CYS HBx 1.0 1.80 4.36 254 191 A 25 SER H A 25 SER HBx 1.0 1.80 3.58 255 191 A 25 SER H A 25 SER HBy 1.0 1.80 3.58 256 192 A 25 SER H A 25 SER HBy 1.0 1.79 4.17 257 193 A 25 SER H A 25 SER HBx 1.0 1.79 4.17 258 194 A 25 SER H A 26 CYS HBy 1.0 1.79 4.45 259 194 A 25 SER H A 26 CYS HBx 1.0 1.79 4.45 260 195 A 26 CYS H A 25 SER HBy 1.0 1.80 5.00 261 196 A 26 CYS H A 25 SER HBx 1.0 1.80 5.00 262 197 A 26 CYS H A 25 SER HBx 1.0 1.80 4.32 263 197 A 26 CYS H A 25 SER HBy 1.0 1.80 4.32 264 198 A 26 CYS H A 25 SER H 1.0 1.80 3.60 265 199 A 26 CYS H A 26 CYS HBy 1.0 1.80 3.40 266 199 A 26 CYS H A 26 CYS HBx 1.0 1.80 3.40 267 200 A 26 CYS H A 27 ASN HBx 1.0 1.80 5.08 268 200 A 26 CYS H A 27 ASN HBy 1.0 1.80 5.08 269 201 A 27 ASN H A 26 CYS H 1.0 1.80 3.62 270 202 A 26 CYS HA A 28 GLN HGx 1.0 1.79 5.17 271 202 A 26 CYS HA A 28 GLN HGy 1.0 1.79 5.17 272 203 A 26 CYS HBx A 28 GLN HGx 1.0 1.80 3.72 273 203 A 26 CYS HBy A 28 GLN HGx 1.0 1.80 3.72 274 203 A 28 GLN HGy A 26 CYS HBy 1.0 1.80 3.72 275 203 A 26 CYS HBx A 28 GLN HGy 1.0 1.80 3.72 276 204 A 28 GLN H A 26 CYS HBy 1.0 1.80 4.58 277 204 A 28 GLN H A 26 CYS HBx 1.0 1.80 4.58 278 205 A 28 GLN H A 26 CYS H 1.0 1.79 5.09 279 206 A 27 ASN HA A 27 ASN HD2y 1.0 1.80 4.34 280 207 A 27 ASN HA A 27 ASN HD2x 1.0 1.80 4.72 281 208 A 27 ASN H A 28 GLN H 1.0 1.80 3.88 282 209 A 28 GLN H A 28 GLN HBx 1.0 1.80 3.32 283 209 A 28 GLN H A 28 GLN HBy 1.0 1.80 3.32 284 210 A 28 GLN H A 28 GLN HBx 1.0 1.80 4.06 285 211 A 28 GLN H A 28 GLN HBy 1.0 1.80 4.06 286 212 A 28 GLN HA A 28 GLN HE2y 1.0 1.80 4.30 287 213 A 28 GLN HA A 28 GLN HGx 1.0 1.80 3.66 288 213 A 28 GLN HGy A 28 GLN HA 1.0 1.80 3.66 289 214 A 28 GLN H A 28 GLN HGx 1.0 1.80 3.70 290 215 A 28 GLN H A 28 GLN HGy 1.0 1.80 3.70 291 216 A 29 TRP HD1 A 28 GLN HBx 1.0 1.80 5.18 292 216 A 28 GLN HBy A 29 TRP HD1 1.0 1.80 5.18 293 217 A 28 GLN HA A 29 TRP H 1.0 1.80 3.18 294 218 A 29 TRP H A 28 GLN HBx 1.0 1.81 3.81 295 218 A 28 GLN HBy A 29 TRP H 1.0 1.81 3.81 296 219 A 28 GLN H A 29 TRP H 1.0 1.80 5.38 297 220 A 29 TRP H A 29 TRP HBx 1.0 1.80 3.42 298 220 A 29 TRP HBy A 29 TRP H 1.0 1.80 3.42 299 221 A 29 TRP HD1 A 29 TRP H 1.0 1.80 4.20 300 222 A 29 TRP HE3 A 29 TRP HA 1.0 1.80 4.82 301 223 A 30 PHE HD% A 29 TRP HA 1.0 1.80 5.04 302 224 A 30 PHE H A 29 TRP HA 1.0 1.80 3.56 303 225 A 30 PHE H A 29 TRP HBx 1.0 1.80 4.76 304 226 A 29 TRP HBy A 30 PHE H 1.0 1.80 4.76 305 227 A 30 PHE H A 29 TRP HBx 1.0 1.79 4.09 306 227 A 29 TRP HBy A 30 PHE H 1.0 1.79 4.09 307 228 A 30 PHE HD% A 30 PHE HA 1.0 1.80 4.26 308 229 A 30 PHE HD% A 30 PHE H 1.0 1.80 4.06 309 230 A 31 HIS H A 30 PHE HBx 1.0 1.80 4.26 310 230 A 30 PHE HBy A 31 HIS H 1.0 1.80 4.26 311 231 A 30 PHE HBy A 34 CYS HBy 1.0 1.80 4.50 312 231 A 30 PHE HBx A 34 CYS HBy 1.0 1.80 4.50 313 231 A 34 CYS HBx A 30 PHE HBx 1.0 1.80 4.50 314 231 A 34 CYS HBx A 30 PHE HBy 1.0 1.80 4.50 315 232 A 35 VAL HB A 30 PHE HBx 1.0 1.80 4.78 316 232 A 30 PHE HBy A 35 VAL HB 1.0 1.80 4.78 317 233 A 35 VAL HGx% A 30 PHE HBx 1.0 1.81 3.81 318 233 A 35 VAL HGx% A 30 PHE HBy 1.0 1.81 3.81 319 234 A 30 PHE HD% A 35 VAL HGx% 1.0 1.80 3.96 320 235 A 35 VAL HGy% A 30 PHE HBx 1.0 1.80 4.36 321 236 A 30 PHE HBy A 35 VAL HGy% 1.0 1.80 4.36 322 237 A 35 VAL HGy% A 30 PHE HBx 1.0 1.79 3.83 323 237 A 30 PHE HBy A 35 VAL HGy% 1.0 1.79 3.83 324 238 A 30 PHE HD% A 35 VAL HGy% 1.0 1.80 4.50 325 239 A 31 HIS HA A 32 GLN H 1.0 1.80 3.34 326 240 A 32 GLN H A 31 HIS HBy 1.0 1.80 4.36 327 240 A 31 HIS HBx A 32 GLN H 1.0 1.80 4.36 328 241 A 32 GLN H A 31 HIS H 1.0 1.80 4.74 329 242 A 33 VAL HGy% A 31 HIS HBy 1.0 1.80 4.48 330 243 A 33 VAL HGy% A 31 HIS HBx 1.0 1.80 4.48 331 244 A 33 VAL H A 31 HIS HBy 1.0 1.80 4.52 332 244 A 31 HIS HBx A 33 VAL H 1.0 1.80 4.52 333 245 A 31 HIS HBx A 34 CYS HBy 1.0 1.80 3.54 334 245 A 34 CYS HBx A 31 HIS HBy 1.0 1.80 3.54 335 245 A 34 CYS HBx A 31 HIS HBx 1.0 1.80 3.54 336 245 A 31 HIS HBy A 34 CYS HBy 1.0 1.80 3.54 337 246 A 34 CYS HBx A 31 HIS HBy 1.0 1.80 5.20 338 247 A 34 CYS HBx A 31 HIS HBx 1.0 1.80 5.20 339 248 A 31 HIS HBy A 34 CYS HBy 1.0 1.80 5.20 340 249 A 31 HIS HBx A 34 CYS HBy 1.0 1.80 5.20 341 250 A 34 CYS H A 31 HIS HBy 1.0 1.79 3.91 342 251 A 31 HIS HBx A 34 CYS H 1.0 1.79 3.91 343 252 A 34 CYS H A 31 HIS HBy 1.0 1.80 3.38 344 252 A 31 HIS HBx A 34 CYS H 1.0 1.80 3.38 345 253 A 32 GLN H A 32 GLN HBx 1.0 1.80 3.54 346 253 A 32 GLN HBy A 32 GLN H 1.0 1.80 3.54 347 254 A 32 GLN HE2y A 32 GLN H 1.0 1.80 5.50 348 255 A 32 GLN HA A 32 GLN HGy 1.0 1.80 3.62 349 255 A 32 GLN HGx A 32 GLN HA 1.0 1.80 3.62 350 256 A 32 GLN H A 32 GLN HGy 1.0 1.80 3.60 351 256 A 32 GLN HGx A 32 GLN H 1.0 1.80 3.60 352 257 A 32 GLN HA A 32 GLN HGy 1.0 1.80 4.16 353 258 A 32 GLN HGx A 32 GLN HA 1.0 1.80 4.16 354 259 A 33 VAL H A 32 GLN HBx 1.0 1.79 4.41 355 260 A 32 GLN HBy A 33 VAL H 1.0 1.79 4.41 356 261 A 33 VAL H A 32 GLN HBx 1.0 1.81 3.85 357 261 A 32 GLN HBy A 33 VAL H 1.0 1.81 3.85 358 262 A 32 GLN H A 33 VAL H 1.0 1.80 4.06 359 263 A 32 GLN HA A 35 VAL HGy% 1.0 1.80 3.52 360 264 A 32 GLN HA A 35 VAL H 1.0 1.80 4.58 361 265 A 32 GLN HA A 36 GLY H 1.0 1.80 5.50 362 266 A 32 GLN HA A 37 VAL HB 1.0 1.80 4.30 363 267 A 37 VAL HGx% A 32 GLN HGy 1.0 1.80 4.70 364 267 A 32 GLN HGx A 37 VAL HGx% 1.0 1.80 4.70 365 268 A 32 GLN HA A 37 VAL HGy% 1.0 1.80 4.84 366 269 A 32 GLN HE2y A 42 ALA HB% 1.0 1.80 5.44 367 270 A 32 GLN HE2x A 42 ALA HB% 1.0 1.80 5.50 368 271 A 33 VAL HB A 33 VAL H 1.0 1.80 3.74 369 272 A 33 VAL HA A 33 VAL HGx% 1.0 1.80 3.00 370 273 A 33 VAL H A 33 VAL HGx% 1.0 1.80 3.52 371 274 A 33 VAL HA A 33 VAL HGy% 1.0 1.81 3.65 372 275 A 33 VAL HGy% A 33 VAL H 1.0 1.81 3.65 373 276 A 33 VAL HGy% A 34 CYS HA 1.0 1.81 3.93 374 277 A 33 VAL HB A 34 CYS H 1.0 1.80 4.30 375 278 A 33 VAL H A 34 CYS H 1.0 1.80 3.76 376 279 A 34 CYS H A 33 VAL HGx% 1.0 1.80 4.08 377 280 A 33 VAL HGy% A 34 CYS H 1.0 1.80 3.08 378 281 A 33 VAL HA A 36 GLY HAx 1.0 1.80 4.24 379 281 A 33 VAL HA A 36 GLY HAy 1.0 1.80 4.24 380 282 A 33 VAL HA A 36 GLY H 1.0 1.81 3.93 381 283 A 34 CYS H A 34 CYS HBy 1.0 1.80 3.28 382 283 A 34 CYS HBx A 34 CYS H 1.0 1.80 3.28 383 284 A 34 CYS HBx A 34 CYS H 1.0 1.80 4.04 384 285 A 34 CYS H A 34 CYS HBy 1.0 1.80 4.04 385 286 A 35 VAL HA A 34 CYS HBy 1.0 1.80 4.38 386 286 A 34 CYS HBx A 35 VAL HA 1.0 1.80 4.38 387 287 A 34 CYS HBx A 35 VAL HGx% 1.0 1.80 4.64 388 288 A 35 VAL HGx% A 34 CYS HBy 1.0 1.80 4.64 389 289 A 35 VAL HGx% A 34 CYS HBy 1.0 1.80 3.98 390 289 A 34 CYS HBx A 35 VAL HGx% 1.0 1.80 3.98 391 290 A 35 VAL H A 34 CYS HBy 1.0 1.80 3.96 392 290 A 34 CYS HBx A 35 VAL H 1.0 1.80 3.96 393 291 A 34 CYS H A 35 VAL H 1.0 1.80 3.20 394 292 A 34 CYS H A 36 GLY H 1.0 1.80 4.80 395 293 A 35 VAL HGx% A 35 VAL HA 1.0 1.80 3.62 396 294 A 35 VAL HGx% A 35 VAL H 1.0 1.80 3.70 397 295 A 35 VAL HGy% A 35 VAL H 1.0 1.81 3.19 398 296 A 35 VAL H A 36 GLY H 1.0 1.80 3.26 399 297 A 35 VAL HGx% A 36 GLY H 1.0 1.80 4.50 400 298 A 35 VAL HGy% A 36 GLY H 1.0 1.80 4.14 401 299 A 35 VAL HGy% A 37 VAL HB 1.0 1.80 4.04 402 300 A 35 VAL HGy% A 37 VAL HGx% 1.0 1.80 3.74 403 301 A 35 VAL HGy% A 37 VAL HGy% 1.0 1.80 3.20 404 302 A 35 VAL HGy% A 37 VAL H 1.0 1.81 3.81 405 303 A 37 VAL HB A 37 VAL H 1.0 1.80 3.50 406 304 A 37 VAL HGx% A 37 VAL HA 1.0 1.80 3.74 407 305 A 37 VAL HGx% A 37 VAL H 1.0 1.80 4.18 408 306 A 37 VAL HGy% A 37 VAL HA 1.0 1.80 3.70 409 307 A 37 VAL HGy% A 37 VAL H 1.0 1.81 3.57 410 308 A 37 VAL HA A 38 SER H 1.0 1.81 3.07 411 309 A 37 VAL HB A 38 SER H 1.0 1.80 4.42 412 310 A 37 VAL HGx% A 38 SER H 1.0 1.80 3.82 413 311 A 37 VAL HGy% A 38 SER H 1.0 1.80 4.38 414 312 A 37 VAL HA A 41 MET HBx 1.0 1.80 4.40 415 312 A 37 VAL HA A 41 MET HBy 1.0 1.80 4.40 416 313 A 37 VAL HGx% A 41 MET HBx 1.0 1.80 4.06 417 313 A 37 VAL HGx% A 41 MET HBy 1.0 1.80 4.06 418 314 A 37 VAL HGx% A 42 ALA HA 1.0 1.80 4.30 419 315 A 37 VAL HGx% A 42 ALA HB% 1.0 1.80 3.46 420 316 A 37 VAL HGy% A 42 ALA HB% 1.0 1.80 4.36 421 317 A 37 VAL HB A 42 ALA H 1.0 1.80 5.50 422 318 A 37 VAL HGx% A 42 ALA H 1.0 1.80 3.74 423 319 A 37 VAL HGy% A 47 TYR HD% 1.0 1.80 4.32 424 320 A 38 SER H A 38 SER HBx 1.0 1.80 3.54 425 320 A 38 SER H A 38 SER HBy 1.0 1.80 3.54 426 321 A 38 SER HA A 39 PRO HDy 1.0 1.81 3.07 427 321 A 38 SER HA A 39 PRO HDx 1.0 1.81 3.07 428 322 A 38 SER HBy A 39 PRO HDy 1.0 1.80 3.32 429 322 A 38 SER HBx A 39 PRO HDy 1.0 1.80 3.32 430 322 A 39 PRO HDx A 38 SER HBx 1.0 1.80 3.32 431 322 A 38 SER HBy A 39 PRO HDx 1.0 1.80 3.32 432 323 A 38 SER H A 39 PRO HDy 1.0 1.80 4.84 433 323 A 38 SER H A 39 PRO HDx 1.0 1.80 4.84 434 324 A 38 SER HA A 39 PRO HDy 1.0 1.80 3.64 435 325 A 38 SER HA A 39 PRO HDx 1.0 1.80 3.64 436 326 A 40 GLU H A 38 SER HBx 1.0 1.80 4.08 437 326 A 38 SER HBy A 40 GLU H 1.0 1.80 4.08 438 327 A 38 SER H A 41 MET HBx 1.0 1.80 3.82 439 327 A 38 SER H A 41 MET HBy 1.0 1.80 3.82 440 328 A 41 MET H A 38 SER HBx 1.0 1.79 3.83 441 328 A 38 SER HBy A 41 MET H 1.0 1.79 3.83 442 329 A 40 GLU H A 39 PRO HBx 1.0 1.80 3.50 443 329 A 40 GLU H A 39 PRO HBy 1.0 1.80 3.50 444 330 A 40 GLU H A 39 PRO HDy 1.0 1.80 4.66 445 331 A 39 PRO HDx A 40 GLU H 1.0 1.80 4.66 446 332 A 40 GLU H A 39 PRO HDy 1.0 1.79 3.83 447 332 A 39 PRO HDx A 40 GLU H 1.0 1.79 3.83 448 333 A 40 GLU H A 39 PRO HGx 1.0 1.80 4.34 449 333 A 40 GLU H A 39 PRO HGy 1.0 1.80 4.34 450 334 A 42 ALA HB% A 39 PRO HA 1.0 1.80 3.78 451 335 A 42 ALA H A 39 PRO HA 1.0 1.80 4.06 452 336 A 40 GLU H A 40 GLU HBx 1.0 1.80 3.20 453 336 A 40 GLU H A 40 GLU HBy 1.0 1.80 3.20 454 337 A 40 GLU H A 40 GLU HBy 1.0 1.80 4.00 455 338 A 40 GLU H A 40 GLU HBx 1.0 1.80 4.00 456 339 A 40 GLU HA A 40 GLU HGx 1.0 1.80 3.78 457 339 A 40 GLU HA A 40 GLU HGy 1.0 1.80 3.78 458 340 A 40 GLU H A 40 GLU HGx 1.0 1.80 3.96 459 340 A 40 GLU H A 40 GLU HGy 1.0 1.80 3.96 460 341 A 41 MET H A 40 GLU HBy 1.0 1.80 4.34 461 342 A 41 MET H A 40 GLU HBx 1.0 1.80 4.34 462 343 A 41 MET H A 40 GLU HBx 1.0 1.80 3.74 463 343 A 41 MET H A 40 GLU HBy 1.0 1.80 3.74 464 344 A 40 GLU H A 41 MET H 1.0 1.80 3.34 465 345 A 41 MET H A 41 MET HBx 1.0 1.80 3.36 466 345 A 41 MET HBy A 41 MET H 1.0 1.80 3.36 467 346 A 41 MET H A 41 MET HGy 1.0 1.80 3.62 468 346 A 41 MET H A 41 MET HGx 1.0 1.80 3.62 469 347 A 41 MET H A 41 MET HGx 1.0 1.80 4.24 470 348 A 41 MET H A 41 MET HGy 1.0 1.80 4.24 471 349 A 42 ALA H A 41 MET HBx 1.0 1.80 3.82 472 349 A 41 MET HBy A 42 ALA H 1.0 1.80 3.82 473 350 A 42 ALA H A 41 MET H 1.0 1.80 3.28 474 351 A 41 MET HA A 44 LYS HBy 1.0 1.80 4.24 475 351 A 41 MET HA A 44 LYS HBx 1.0 1.80 4.24 476 352 A 41 MET HA A 44 LYS H 1.0 1.80 4.26 477 353 A 42 ALA HB% A 42 ALA H 1.0 1.80 2.98 478 354 A 42 ALA HB% A 43 GLU H 1.0 1.81 3.77 479 355 A 42 ALA H A 43 GLU H 1.0 1.80 3.64 480 356 A 43 GLU H A 43 GLU HBy 1.0 1.80 3.34 481 356 A 43 GLU H A 43 GLU HBx 1.0 1.80 3.34 482 357 A 43 GLU H A 43 GLU HBx 1.0 1.80 3.90 483 358 A 43 GLU H A 43 GLU HBy 1.0 1.80 3.90 484 359 A 43 GLU H A 43 GLU HGy 1.0 1.80 4.62 485 360 A 43 GLU H A 43 GLU HGx 1.0 1.80 4.62 486 361 A 44 LYS H A 43 GLU HBx 1.0 1.80 4.08 487 362 A 44 LYS H A 43 GLU HBy 1.0 1.80 4.08 488 363 A 44 LYS H A 44 LYS HBy 1.0 1.80 3.36 489 363 A 44 LYS HBx A 44 LYS H 1.0 1.80 3.36 490 364 A 44 LYS HA A 44 LYS HDx 1.0 1.80 4.12 491 364 A 44 LYS HA A 44 LYS HDy 1.0 1.80 4.12 492 365 A 44 LYS HBx A 44 LYS HDx 1.0 1.80 3.84 493 365 A 44 LYS HBy A 44 LYS HDx 1.0 1.80 3.84 494 365 A 44 LYS HDy A 44 LYS HBy 1.0 1.80 3.84 495 365 A 44 LYS HBx A 44 LYS HDy 1.0 1.80 3.84 496 366 A 44 LYS HA A 44 LYS HEx 1.0 1.80 4.50 497 366 A 44 LYS HA A 44 LYS HEy 1.0 1.80 4.50 498 367 A 44 LYS HBy A 44 LYS HEx 1.0 1.80 4.62 499 367 A 44 LYS HBx A 44 LYS HEx 1.0 1.80 4.62 500 367 A 44 LYS HEy A 44 LYS HBy 1.0 1.80 4.62 501 367 A 44 LYS HBx A 44 LYS HEy 1.0 1.80 4.62 502 368 A 44 LYS H A 44 LYS HGx 1.0 1.79 4.63 503 369 A 44 LYS H A 44 LYS HGy 1.0 1.79 4.63 504 370 A 44 LYS HBy A 45 GLU HGx 1.0 1.80 4.54 505 370 A 45 GLU HGy A 44 LYS HBy 1.0 1.80 4.54 506 370 A 44 LYS HBx A 45 GLU HGy 1.0 1.80 4.54 507 370 A 44 LYS HBx A 45 GLU HGx 1.0 1.80 4.54 508 371 A 45 GLU H A 44 LYS HBy 1.0 1.80 4.44 509 371 A 44 LYS HBx A 45 GLU H 1.0 1.80 4.44 510 372 A 44 LYS H A 45 GLU H 1.0 1.81 3.23 511 373 A 45 GLU H A 45 GLU HBy 1.0 1.80 3.52 512 373 A 45 GLU H A 45 GLU HBx 1.0 1.80 3.52 513 374 A 45 GLU HA A 45 GLU HGx 1.0 1.80 3.94 514 374 A 45 GLU HGy A 45 GLU HA 1.0 1.80 3.94 515 375 A 45 GLU H A 45 GLU HGx 1.0 1.80 3.90 516 375 A 45 GLU HGy A 45 GLU H 1.0 1.80 3.90 517 376 A 45 GLU HA A 46 ASP H 1.0 1.81 3.19 518 377 A 45 GLU HBx A 46 ASP H 1.0 1.79 4.33 519 378 A 46 ASP H A 45 GLU HBy 1.0 1.79 4.33 520 379 A 46 ASP H A 45 GLU HBy 1.0 1.80 3.62 521 379 A 45 GLU HBx A 46 ASP H 1.0 1.80 3.62 522 380 A 46 ASP H A 45 GLU HGx 1.0 1.80 4.40 523 380 A 45 GLU HGy A 46 ASP H 1.0 1.80 4.40 524 381 A 45 GLU H A 46 ASP H 1.0 1.80 4.62 525 382 A 46 ASP H A 46 ASP HBx 1.0 1.80 3.36 526 382 A 46 ASP H A 46 ASP HBy 1.0 1.80 3.36 527 383 A 47 TYR HD% A 47 TYR HA 1.0 1.80 3.96 528 384 A 47 TYR HA A 48 ILE H 1.0 1.80 2.94 529 385 A 48 ILE H A 47 TYR HBy 1.0 1.80 4.42 530 385 A 47 TYR HBx A 48 ILE H 1.0 1.80 4.42 531 386 A 47 TYR HD% A 48 ILE H 1.0 1.80 4.14 532 387 A 48 ILE H A 48 ILE HB 1.0 1.80 3.42 533 388 A 48 ILE HA A 48 ILE HD1% 1.0 1.80 4.26 534 389 A 48 ILE HB A 48 ILE HD1% 1.0 1.81 3.77 535 390 A 48 ILE H A 48 ILE HD1% 1.0 1.79 4.91 536 391 A 48 ILE H A 48 ILE HG1y 1.0 1.80 3.72 537 391 A 48 ILE HG1x A 48 ILE H 1.0 1.80 3.72 538 392 A 48 ILE HG1x A 48 ILE HG2% 1.0 1.81 3.77 539 393 A 48 ILE HG2% A 48 ILE HG1y 1.0 1.81 3.77 540 394 A 48 ILE HA A 48 ILE HG2% 1.0 1.79 3.41 541 395 A 48 ILE HG2% A 48 ILE H 1.0 1.80 4.42 542 396 A 48 ILE HA A 49 CYS H 1.0 1.80 3.04 543 397 A 48 ILE HG2% A 49 CYS H 1.0 1.81 3.57 544 398 A 48 ILE HG2% A 52 CYS HBy 1.0 1.80 3.20 545 398 A 48 ILE HG2% A 52 CYS HBx 1.0 1.80 3.20 546 399 A 48 ILE HG2% A 52 CYS HBx 1.0 1.80 3.70 547 400 A 48 ILE HG2% A 52 CYS HBy 1.0 1.80 3.70 548 401 A 48 ILE HG2% A 53 THR HA 1.0 1.80 3.54 549 402 A 48 ILE HG2% A 53 THR HG2% 1.0 1.80 4.10 550 403 A 48 ILE HG2% A 53 THR H 1.0 1.79 3.83 551 404 A 49 CYS H A 49 CYS HBy 1.0 1.80 3.30 552 404 A 49 CYS H A 49 CYS HBx 1.0 1.80 3.30 553 405 A 49 CYS H A 49 CYS HBx 1.0 1.80 4.16 554 406 A 49 CYS H A 49 CYS HBy 1.0 1.80 4.16 555 407 A 49 CYS HA A 50 VAL H 1.0 1.80 3.36 556 408 A 50 VAL H A 49 CYS HBy 1.0 1.80 3.46 557 408 A 49 CYS HBx A 50 VAL H 1.0 1.80 3.46 558 409 A 51 ARG H A 49 CYS HBy 1.0 1.79 4.33 559 409 A 49 CYS HBx A 51 ARG H 1.0 1.79 4.33 560 410 A 49 CYS H A 52 CYS HBy 1.0 1.80 4.00 561 410 A 52 CYS HBx A 49 CYS H 1.0 1.80 4.00 562 411 A 50 VAL H A 50 VAL HB 1.0 1.80 3.70 563 412 A 50 VAL H A 50 VAL HGy% 1.0 1.80 3.24 564 412 A 50 VAL H A 50 VAL HGx% 1.0 1.80 3.24 565 413 A 50 VAL HGx% A 50 VAL HA 1.0 1.80 3.90 566 414 A 50 VAL H A 50 VAL HGx% 1.0 1.80 3.74 567 415 A 50 VAL HA A 50 VAL HGy% 1.0 1.80 3.90 568 416 A 50 VAL H A 50 VAL HGy% 1.0 1.80 3.74 569 417 A 50 VAL HGx% A 51 ARG HA 1.0 1.80 5.50 570 418 A 51 ARG HA A 50 VAL HGy% 1.0 1.80 5.50 571 419 A 51 ARG H A 50 VAL HGy% 1.0 1.80 3.80 572 419 A 51 ARG H A 50 VAL HGx% 1.0 1.80 3.80 573 420 A 50 VAL H A 51 ARG H 1.0 1.80 3.58 574 421 A 51 ARG H A 50 VAL HGx% 1.0 1.79 4.45 575 422 A 51 ARG H A 50 VAL HGy% 1.0 1.79 4.45 576 423 A 50 VAL HA A 53 THR HB 1.0 1.80 4.10 577 424 A 53 THR HG2% A 50 VAL HA 1.0 1.80 4.50 578 425 A 50 VAL HA A 54 VAL H 1.0 1.80 4.72 579 426 A 51 ARG H A 51 ARG HBy 1.0 1.81 3.11 580 426 A 51 ARG H A 51 ARG HBx 1.0 1.81 3.11 581 427 A 51 ARG H A 51 ARG HBx 1.0 1.80 3.76 582 428 A 51 ARG H A 51 ARG HBy 1.0 1.80 3.76 583 429 A 51 ARG HA A 51 ARG HDx 1.0 1.79 4.37 584 429 A 51 ARG HA A 51 ARG HDy 1.0 1.79 4.37 585 430 A 51 ARG H A 51 ARG HDx 1.0 1.80 4.20 586 430 A 51 ARG H A 51 ARG HDy 1.0 1.80 4.20 587 431 A 51 ARG HA A 51 ARG HGy 1.0 1.81 3.65 588 431 A 51 ARG HA A 51 ARG HGx 1.0 1.81 3.65 589 432 A 51 ARG H A 51 ARG HGy 1.0 1.81 3.53 590 432 A 51 ARG H A 51 ARG HGx 1.0 1.81 3.53 591 433 A 51 ARG HA A 51 ARG HGy 1.0 1.80 4.24 592 434 A 51 ARG H A 51 ARG HGy 1.0 1.80 4.20 593 435 A 51 ARG HA A 51 ARG HGx 1.0 1.80 4.24 594 436 A 51 ARG H A 51 ARG HGx 1.0 1.80 4.20 595 437 A 51 ARG HBx A 52 CYS H 1.0 1.80 4.22 596 438 A 52 CYS H A 51 ARG HBy 1.0 1.80 4.22 597 439 A 52 CYS H A 51 ARG HBy 1.0 1.80 3.62 598 439 A 51 ARG HBx A 52 CYS H 1.0 1.80 3.62 599 440 A 52 CYS H A 51 ARG HDx 1.0 1.80 4.96 600 440 A 51 ARG HDy A 52 CYS H 1.0 1.80 4.96 601 441 A 51 ARG H A 52 CYS H 1.0 1.80 3.16 602 442 A 51 ARG HA A 54 VAL HGy% 1.0 1.80 4.08 603 442 A 51 ARG HA A 54 VAL HGx% 1.0 1.80 4.08 604 443 A 51 ARG HA A 54 VAL H 1.0 1.80 4.36 605 444 A 52 CYS H A 52 CYS HBy 1.0 1.80 3.28 606 444 A 52 CYS HBx A 52 CYS H 1.0 1.80 3.28 607 445 A 52 CYS HBx A 52 CYS H 1.0 1.79 4.13 608 446 A 52 CYS H A 52 CYS HBy 1.0 1.79 4.13 609 447 A 52 CYS HA A 53 THR HA 1.0 1.80 5.24 610 448 A 52 CYS HBx A 53 THR H 1.0 1.80 4.46 611 449 A 53 THR H A 52 CYS HBy 1.0 1.80 4.46 612 450 A 53 THR H A 52 CYS HBy 1.0 1.80 3.88 613 450 A 52 CYS HBx A 53 THR H 1.0 1.80 3.88 614 451 A 53 THR H A 52 CYS H 1.0 1.80 3.40 615 452 A 54 VAL H A 52 CYS H 1.0 1.80 5.00 616 453 A 52 CYS HA A 55 LYS HBx 1.0 1.80 4.00 617 453 A 52 CYS HA A 55 LYS HBy 1.0 1.80 4.00 618 454 A 52 CYS HA A 55 LYS H 1.0 1.81 3.81 619 455 A 52 CYS HA A 56 ASP H 1.0 1.80 5.50 620 456 A 53 THR H A 53 THR HB 1.0 1.79 3.37 621 457 A 53 THR HA A 53 THR HG2% 1.0 1.80 3.36 622 458 A 53 THR HG2% A 53 THR H 1.0 1.80 4.00 623 459 A 53 THR HA A 54 VAL HA 1.0 1.80 5.50 624 460 A 53 THR HB A 54 VAL H 1.0 1.80 4.20 625 461 A 53 THR H A 54 VAL H 1.0 1.80 3.68 626 462 A 53 THR HG2% A 54 VAL H 1.0 1.80 3.86 627 463 A 53 THR H A 55 LYS H 1.0 1.80 4.58 628 464 A 53 THR HA A 56 ASP H 1.0 1.80 4.88 629 465 A 54 VAL H A 54 VAL HB 1.0 1.80 3.24 630 466 A 54 VAL H A 54 VAL HGy% 1.0 1.80 3.00 631 466 A 54 VAL H A 54 VAL HGx% 1.0 1.80 3.00 632 467 A 54 VAL HGx% A 54 VAL HA 1.0 1.80 3.48 633 468 A 54 VAL H A 54 VAL HGx% 1.0 1.81 3.81 634 469 A 54 VAL HA A 54 VAL HGy% 1.0 1.80 3.48 635 470 A 54 VAL H A 54 VAL HGy% 1.0 1.81 3.81 636 471 A 55 LYS HA A 54 VAL HGy% 1.0 1.79 4.63 637 471 A 54 VAL HGx% A 55 LYS HA 1.0 1.79 4.63 638 472 A 55 LYS H A 54 VAL HB 1.0 1.80 4.06 639 473 A 54 VAL H A 55 LYS H 1.0 1.80 3.40 640 474 A 54 VAL HGx% A 55 LYS H 1.0 1.80 4.10 641 475 A 55 LYS H A 54 VAL HGy% 1.0 1.80 4.10 642 476 A 56 ASP H A 54 VAL HA 1.0 1.80 5.50 643 477 A 55 LYS H A 55 LYS HBx 1.0 1.80 3.08 644 477 A 55 LYS HBy A 55 LYS H 1.0 1.80 3.08 645 478 A 55 LYS HA A 55 LYS HDx 1.0 1.80 4.28 646 478 A 55 LYS HA A 55 LYS HDy 1.0 1.80 4.28 647 479 A 55 LYS HBx A 55 LYS HDx 1.0 1.80 3.36 648 479 A 55 LYS HBy A 55 LYS HDx 1.0 1.80 3.36 649 479 A 55 LYS HDy A 55 LYS HBx 1.0 1.80 3.36 650 479 A 55 LYS HBy A 55 LYS HDy 1.0 1.80 3.36 651 480 A 55 LYS HBx A 55 LYS HEx 1.0 1.80 4.66 652 480 A 55 LYS HBy A 55 LYS HEx 1.0 1.80 4.66 653 480 A 55 LYS HEy A 55 LYS HBx 1.0 1.80 4.66 654 480 A 55 LYS HBy A 55 LYS HEy 1.0 1.80 4.66 655 481 A 55 LYS H A 55 LYS HGy 1.0 1.79 4.45 656 481 A 55 LYS H A 55 LYS HGx 1.0 1.79 4.45 657 482 A 55 LYS H A 55 LYS HGy 1.0 1.80 5.20 658 483 A 55 LYS H A 55 LYS HGx 1.0 1.80 5.20 659 484 A 56 ASP H A 55 LYS HBx 1.0 1.80 3.74 660 484 A 55 LYS HBy A 56 ASP H 1.0 1.80 3.74 661 485 A 56 ASP H A 55 LYS HGy 1.0 1.80 5.50 662 486 A 56 ASP H A 55 LYS HGx 1.0 1.80 5.50 663 487 A 56 ASP H A 55 LYS HGy 1.0 1.80 4.64 664 487 A 56 ASP H A 55 LYS HGx 1.0 1.80 4.64 665 488 A 55 LYS H A 56 ASP H 1.0 1.80 3.54 666 489 A 57 ALA H A 55 LYS HGy 1.0 1.80 4.96 667 489 A 55 LYS HGx A 57 ALA H 1.0 1.80 4.96 668 490 A 55 LYS H A 57 ALA H 1.0 1.80 5.24 669 491 A 56 ASP H A 56 ASP HBx 1.0 1.80 3.20 670 491 A 56 ASP H A 56 ASP HBy 1.0 1.80 3.20 671 492 A 56 ASP H A 56 ASP HBy 1.0 1.79 3.91 672 493 A 56 ASP H A 56 ASP HBx 1.0 1.79 3.91 673 494 A 57 ALA H A 56 ASP HA 1.0 1.80 3.50 674 495 A 57 ALA H A 56 ASP HBy 1.0 1.80 4.62 675 496 A 57 ALA H A 56 ASP HBx 1.0 1.80 4.62 676 497 A 57 ALA H A 56 ASP HBx 1.0 1.80 4.04 677 497 A 57 ALA H A 56 ASP HBy 1.0 1.80 4.04 678 498 A 56 ASP H A 57 ALA H 1.0 1.80 3.66 679 499 A 57 ALA H A 57 ALA HB% 1.0 1.80 3.06 680 500 A 57 ALA HB% A 58 PRO HDx 1.0 1.80 3.56 681 500 A 57 ALA HB% A 58 PRO HDy 1.0 1.80 3.56 682 501 A 57 ALA H A 58 PRO HDx 1.0 1.81 3.85 683 501 A 57 ALA H A 58 PRO HDy 1.0 1.81 3.85 684 502 A 57 ALA HA A 58 PRO HDx 1.0 1.80 3.48 685 503 A 57 ALA HB% A 58 PRO HDx 1.0 1.80 4.18 686 504 A 57 ALA H A 58 PRO HDx 1.0 1.80 4.48 687 505 A 58 PRO HDy A 57 ALA HA 1.0 1.80 3.48 688 506 A 57 ALA HB% A 58 PRO HDy 1.0 1.80 4.18 689 507 A 57 ALA H A 58 PRO HDy 1.0 1.80 4.48 690 508 A 58 PRO HA A 59 SER H 1.0 1.80 3.56 691 509 A 60 ARG HA A 60 ARG HDx 1.0 1.79 4.45 692 509 A 60 ARG HA A 60 ARG HDy 1.0 1.79 4.45 693 510 A 60 ARG HA A 61 LYS HGx 1.0 1.80 4.60 694 510 A 60 ARG HA A 61 LYS HGy 1.0 1.80 4.60 695 511 A 60 ARG HA A 61 LYS H 1.0 1.80 3.36 696 512 A 61 LYS HA A 61 LYS HDx 1.0 1.79 4.37 697 512 A 61 LYS HA A 61 LYS HDy 1.0 1.79 4.37 698 513 A 61 LYS H A 61 LYS HDx 1.0 1.80 5.02 699 513 A 61 LYS H A 61 LYS HDy 1.0 1.80 5.02 700 514 A 61 LYS HBx A 61 LYS HEx 1.0 1.80 5.00 701 514 A 61 LYS HEy A 61 LYS HBy 1.0 1.80 5.00 702 514 A 61 LYS HBx A 61 LYS HEy 1.0 1.80 5.00 703 514 A 61 LYS HBy A 61 LYS HEx 1.0 1.80 5.00 704 515 A 61 LYS H A 61 LYS HGx 1.0 1.80 4.54 705 515 A 61 LYS HGy A 61 LYS H 1.0 1.80 4.54 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 30 PHE O A 20 VAL N 1.0 2.7 3.3 2 2 A 20 VAL H A 30 PHE O 1.0 1.8 2.3 3 3 A 20 VAL O A 30 PHE N 1.0 2.7 3.3 4 4 A 30 PHE H A 20 VAL O 1.0 1.8 2.3 5 5 A 18 ASP O A 32 GLN N 1.0 2.7 3.3 6 6 A 32 GLN H A 18 ASP O 1.0 1.8 2.3 7 7 A 28 GLN O A 22 CYS N 1.0 2.7 3.3 8 8 A 22 CYS H A 28 GLN O 1.0 1.8 2.3 9 9 A 38 SER O A 42 ALA N 1.0 2.7 3.3 10 10 A 42 ALA H A 38 SER O 1.0 1.8 2.3 11 11 A 39 PRO O A 43 GLU N 1.0 2.7 3.3 12 12 A 43 GLU H A 39 PRO O 1.0 1.8 2.3 13 13 A 40 GLU O A 44 LYS N 1.0 2.7 3.3 14 14 A 44 LYS H A 40 GLU O 1.0 1.8 2.3 15 15 A 41 MET O A 45 GLU N 1.0 2.7 3.3 16 16 A 45 GLU H A 41 MET O 1.0 1.8 2.3 17 17 A 49 CYS O A 53 THR N 1.0 2.7 3.3 18 18 A 53 THR H A 49 CYS O 1.0 1.8 2.3 19 19 A 50 VAL O A 54 VAL N 1.0 2.7 3.3 20 20 A 54 VAL H A 50 VAL O 1.0 1.8 2.3 21 21 A 51 ARG O A 55 LYS N 1.0 2.7 3.3 22 22 A 55 LYS H A 51 ARG O 1.0 1.8 2.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 16 GLU C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -171.1 -31.1 PHI 2 2 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 ASP N 1.0 65.3 205.3 PSI 3 3 A 17 VAL C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -151.4 -63.2 PHI 4 4 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 TRP N 1.0 102.2 164.6 PSI 5 5 A 18 ASP C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -159.9 -89.7 PHI 6 6 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 VAL N 1.0 122.7 180.9 PSI 7 7 A 19 TRP C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -160.6 -100.2 PHI 8 8 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLN N 1.0 110.2 150.2 PSI 9 9 A 20 VAL C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -138.2 -66.2 PHI 10 10 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 CYS N 1.0 96.9 150.9 PSI 11 11 A 28 GLN C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -184.6 -44.6 PHI 12 12 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 PHE N 1.0 61.9 201.9 PSI 13 13 A 29 TRP C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -153.6 -101.8 PHI 14 14 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 HIS N 1.0 105.1 171.3 PSI 15 15 A 30 PHE C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -105.3 -40.9 PHI 16 16 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 GLN N 1.0 123.0 179.6 PSI 17 17 A 31 HIS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -79.5 -39.5 PHI 18 18 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 VAL N 1.0 -56.1 -16.1 PSI 19 19 A 32 GLN C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -80.8 -40.8 PHI 20 20 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 CYS N 1.0 -59.1 -19.1 PSI 21 21 A 33 VAL C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -87.5 -47.5 PHI 22 22 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 VAL N 1.0 -52.9 -4.3 PSI 23 23 A 34 CYS C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -118.0 -78.0 PHI 24 24 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 GLY N 1.0 -20.0 30.4 PSI 25 25 A 35 VAL C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 45.7 131.9 PHI 26 26 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 VAL N 1.0 -25.3 53.7 PSI 27 27 A 39 PRO C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -83.9 -43.9 PHI 28 28 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 MET N 1.0 -52.0 -12.0 PSI 29 29 A 40 GLU C A 41 MET N A 41 MET CA A 41 MET C 1.0 -83.7 -43.7 PHI 30 30 A 41 MET N A 41 MET CA A 41 MET C A 42 ALA N 1.0 -61.2 -21.2 PSI 31 31 A 41 MET C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -83.2 -43.2 PHI 32 32 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLU N 1.0 -61.1 -8.7 PSI 33 33 A 42 ALA C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -92.1 -52.1 PHI 34 34 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LYS N 1.0 -64.2 2.2 PSI 35 35 A 43 GLU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -130.3 -70.3 PHI 36 36 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 GLU N 1.0 -53.8 26.8 PSI 37 37 A 47 TYR C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -130.1 -75.7 PHI 38 38 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 CYS N 1.0 106.2 146.2 PSI 39 39 A 49 CYS C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -78.3 -38.3 PHI 40 40 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ARG N 1.0 -57.6 -17.6 PSI 41 41 A 50 VAL C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -87.1 -47.1 PHI 42 42 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 CYS N 1.0 -58.6 -18.6 PSI 43 43 A 52 CYS C A 53 THR N A 53 THR CA A 53 THR C 1.0 -85.4 -45.4 PHI 44 44 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 -54.6 -14.6 PSI 45 45 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -99.1 -45.9 PHI 46 46 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 LYS N 1.0 -64.0 -2.0 PSI stop_ save_ save_NUS_Nnoesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode NUS_Nnoesy _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 29 2 1H 11.5 3 1H 14 stop_ save_ save_NUS_Cnoesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode NUS_Cnoesy _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 65 2 1H 11.5 3 1H 14 stop_ save_