data_nef_c16556_2kpi 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 16 CYS SG 2 1 ZN ZN 1 13 CYS SG 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 29 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 MET start . . 2 A 2 PRO middle . false 3 A 3 LEU middle . . 4 A 4 GLU middle . . 5 A 5 ALA middle . . 6 A 6 GLY middle . false 7 A 7 LEU middle . . 8 A 8 LEU middle . . 9 A 9 GLU middle . . 10 A 10 ILE middle . . 11 A 11 LEU middle . . 12 A 12 ALA middle . . 13 A 13 CYS middle -HG . 14 A 14 PRO middle . false 15 A 15 ALA middle . . 16 A 16 CYS middle -HG . 17 A 17 HIS middle . . 18 A 18 ALA middle . . 19 A 19 PRO middle . false 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 GLU middle . . 23 A 23 ARG middle . . 24 A 24 ASP middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 LEU middle . . 28 A 28 ILE middle . . 29 A 29 CYS middle -HG . 30 A 30 THR middle . . 31 A 31 GLY middle . false 32 A 32 GLN middle . . 33 A 33 ASP middle . . 34 A 34 CYS middle -HG . 35 A 35 GLY middle . false 36 A 36 LEU middle . . 37 A 37 ALA middle . . 38 A 38 TYR middle . . 39 A 39 PRO middle . false 40 A 40 VAL middle . . 41 A 41 ARG middle . . 42 A 42 ASP middle . . 43 A 43 GLY middle . false 44 A 44 ILE middle . . 45 A 45 PRO middle . false 46 A 46 VAL middle . . 47 A 47 LEU middle . . 48 A 48 LEU middle . . 49 A 49 VAL middle . . 50 A 50 ASP middle . . 51 A 51 GLU middle . . 52 A 52 ALA middle . . 53 A 53 ARG middle . . 54 A 54 ARG middle . . 55 A 55 PRO middle . false 56 A 56 GLU end . . 57 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 1 MET HA H 1 4.81 0.02 A 1 MET CA C 13 53.5 0.2 A 2 PRO HA H 1 4.46 0.02 A 2 PRO HBx H 1 1.92 0.02 A 2 PRO HBy H 1 2.29 0.02 A 2 PRO HDx H 1 3.68 0.02 A 2 PRO HDy H 1 3.86 0.02 A 2 PRO HGx H 1 2.06 0.02 A 2 PRO HGy H 1 2.06 0.02 A 2 PRO C C 13 176.8 0.2 A 2 PRO CA C 13 63.1 0.2 A 2 PRO CB C 13 32.1 0.2 A 2 PRO CD C 13 50.7 0.2 A 2 PRO CG C 13 27.5 0.2 A 3 LEU H H 1 8.52 0.02 A 3 LEU HA H 1 4.26 0.02 A 3 LEU HBx H 1 1.54 0.02 A 3 LEU HBy H 1 1.61 0.02 A 3 LEU HDx% H 1 0.93 0.02 A 3 LEU HDy% H 1 0.85 0.02 A 3 LEU HG H 1 1.71 0.02 A 3 LEU C C 13 177.7 0.2 A 3 LEU CA C 13 55.4 0.2 A 3 LEU CB C 13 42.5 0.2 A 3 LEU CDy C 13 24.8 0.2 A 3 LEU CDx C 13 24.1 0.2 A 3 LEU CG C 13 27.4 0.2 A 3 LEU N N 15 122.4 0.2 A 4 GLU H H 1 8.43 0.02 A 4 GLU HA H 1 4.20 0.02 A 4 GLU HBx H 1 1.97 0.02 A 4 GLU HBy H 1 2.02 0.02 A 4 GLU HGx H 1 2.31 0.02 A 4 GLU HGy H 1 2.31 0.02 A 4 GLU C C 13 176.4 0.2 A 4 GLU CA C 13 56.6 0.2 A 4 GLU CB C 13 30.2 0.2 A 4 GLU CG C 13 36.0 0.2 A 4 GLU N N 15 122.1 0.2 A 5 ALA H H 1 8.42 0.02 A 5 ALA HA H 1 4.21 0.02 A 5 ALA HB% H 1 1.42 0.02 A 5 ALA C C 13 178.7 0.2 A 5 ALA CA C 13 53.5 0.2 A 5 ALA CB C 13 19.0 0.2 A 5 ALA N N 15 125.9 0.2 A 6 GLY H H 1 8.53 0.02 A 6 GLY HAx H 1 3.91 0.02 A 6 GLY HAy H 1 3.95 0.02 A 6 GLY C C 13 174.7 0.2 A 6 GLY CA C 13 45.6 0.2 A 6 GLY N N 15 108.1 0.2 A 7 LEU H H 1 7.85 0.02 A 7 LEU HA H 1 4.30 0.02 A 7 LEU HBx H 1 1.63 0.02 A 7 LEU HBy H 1 1.63 0.02 A 7 LEU HDx% H 1 0.93 0.02 A 7 LEU HDy% H 1 0.89 0.02 A 7 LEU HG H 1 1.61 0.02 A 7 LEU C C 13 177.7 0.2 A 7 LEU CA C 13 55.8 0.2 A 7 LEU CB C 13 42.5 0.2 A 7 LEU CDy C 13 24.7 0.2 A 7 LEU CDx C 13 24.2 0.2 A 7 LEU CG C 13 26.9 0.2 A 7 LEU N N 15 121.3 0.2 A 8 LEU H H 1 8.19 0.02 A 8 LEU HA H 1 4.16 0.02 A 8 LEU HBx H 1 1.63 0.02 A 8 LEU HBy H 1 1.63 0.02 A 8 LEU HDx% H 1 0.88 0.02 A 8 LEU HDy% H 1 0.86 0.02 A 8 LEU HG H 1 1.62 0.02 A 8 LEU C C 13 177.7 0.2 A 8 LEU CA C 13 56.1 0.2 A 8 LEU CB C 13 42.1 0.2 A 8 LEU CDy C 13 25.1 0.2 A 8 LEU CDx C 13 24.2 0.2 A 8 LEU CG C 13 26.9 0.2 A 8 LEU N N 15 120.6 0.2 A 9 GLU H H 1 8.15 0.02 A 9 GLU HA H 1 4.24 0.02 A 9 GLU HBx H 1 1.97 0.02 A 9 GLU HBy H 1 2.01 0.02 A 9 GLU HGx H 1 2.25 0.02 A 9 GLU HGy H 1 2.25 0.02 A 9 GLU C C 13 176.4 0.2 A 9 GLU CA C 13 57.0 0.2 A 9 GLU CB C 13 30.2 0.2 A 9 GLU CG C 13 36.1 0.2 A 9 GLU N N 15 118.8 0.2 A 10 ILE H H 1 7.86 0.02 A 10 ILE HA H 1 4.28 0.02 A 10 ILE HB H 1 1.93 0.02 A 10 ILE HD1% H 1 0.86 0.02 A 10 ILE HG1x H 1 1.26 0.02 A 10 ILE HG1y H 1 1.44 0.02 A 10 ILE HG2% H 1 0.91 0.02 A 10 ILE C C 13 176.1 0.2 A 10 ILE CA C 13 60.8 0.2 A 10 ILE CB C 13 38.9 0.2 A 10 ILE CD1 C 13 13.3 0.2 A 10 ILE CG1 C 13 27.2 0.2 A 10 ILE CG2 C 13 17.8 0.2 A 10 ILE N N 15 118.6 0.2 A 11 LEU H H 1 8.25 0.02 A 11 LEU HA H 1 4.38 0.02 A 11 LEU HBx H 1 1.22 0.02 A 11 LEU HBy H 1 1.69 0.02 A 11 LEU HDx% H 1 0.78 0.02 A 11 LEU HDy% H 1 0.76 0.02 A 11 LEU HG H 1 1.74 0.02 A 11 LEU C C 13 175.2 0.2 A 11 LEU CA C 13 54.4 0.2 A 11 LEU CB C 13 43.4 0.2 A 11 LEU CDy C 13 26.0 0.2 A 11 LEU CDx C 13 22.8 0.2 A 11 LEU CG C 13 26.4 0.2 A 11 LEU N N 15 125.9 0.2 A 12 ALA H H 1 7.92 0.02 A 12 ALA HA H 1 4.62 0.02 A 12 ALA HB% H 1 1.03 0.02 A 12 ALA C C 13 175.7 0.2 A 12 ALA CA C 13 50.1 0.2 A 12 ALA CB C 13 22.0 0.2 A 12 ALA N N 15 123.7 0.2 A 13 CYS H H 1 9.31 0.02 A 13 CYS HA H 1 4.13 0.02 A 13 CYS HBx H 1 3.13 0.02 A 13 CYS HBy H 1 3.23 0.02 A 13 CYS CA C 13 56.9 0.2 A 13 CYS CB C 13 31.6 0.2 A 13 CYS N N 15 124.4 0.2 A 14 PRO HA H 1 4.34 0.02 A 14 PRO HBx H 1 1.94 0.02 A 14 PRO HBy H 1 2.27 0.02 A 14 PRO HDx H 1 3.38 0.02 A 14 PRO HDy H 1 3.65 0.02 A 14 PRO HGx H 1 1.62 0.02 A 14 PRO HGy H 1 1.93 0.02 A 14 PRO C C 13 176.3 0.2 A 14 PRO CA C 13 64.2 0.2 A 14 PRO CB C 13 31.8 0.2 A 14 PRO CD C 13 50.7 0.2 A 14 PRO CG C 13 26.8 0.2 A 15 ALA H H 1 8.69 0.02 A 15 ALA HA H 1 4.34 0.02 A 15 ALA HB% H 1 1.40 0.02 A 15 ALA C C 13 178.3 0.2 A 15 ALA CA C 13 54.3 0.2 A 15 ALA CB C 13 20.1 0.2 A 15 ALA N N 15 123.4 0.2 A 16 CYS H H 1 8.29 0.02 A 16 CYS HA H 1 4.86 0.02 A 16 CYS HBx H 1 2.53 0.02 A 16 CYS HBy H 1 3.12 0.02 A 16 CYS C C 13 176.7 0.2 A 16 CYS CA C 13 58.8 0.2 A 16 CYS CB C 13 32.6 0.2 A 16 CYS N N 15 117.0 0.2 A 17 HIS H H 1 8.30 0.02 A 17 HIS HA H 1 4.44 0.02 A 17 HIS HBx H 1 3.46 0.02 A 17 HIS HBy H 1 3.60 0.02 A 17 HIS HD2 H 1 7.15 0.02 A 17 HIS HE1 H 1 8.50 0.02 A 17 HIS C C 13 173.0 0.2 A 17 HIS CA C 13 57.7 0.2 A 17 HIS CB C 13 26.5 0.2 A 17 HIS CD2 C 13 119.6 0.2 A 17 HIS CE1 C 13 135.9 0.2 A 17 HIS N N 15 117.8 0.2 A 18 ALA H H 1 9.08 0.02 A 18 ALA HA H 1 4.64 0.02 A 18 ALA HB% H 1 1.58 0.02 A 18 ALA CA C 13 52.1 0.2 A 18 ALA CB C 13 19.0 0.2 A 18 ALA N N 15 127.6 0.2 A 19 PRO HA H 1 4.54 0.02 A 19 PRO HBx H 1 1.74 0.02 A 19 PRO HBy H 1 2.43 0.02 A 19 PRO HDx H 1 3.43 0.02 A 19 PRO HDy H 1 3.86 0.02 A 19 PRO HGx H 1 2.00 0.02 A 19 PRO HGy H 1 2.08 0.02 A 19 PRO C C 13 177.0 0.2 A 19 PRO CA C 13 63.3 0.2 A 19 PRO CB C 13 32.5 0.2 A 19 PRO CD C 13 50.3 0.2 A 19 PRO CG C 13 28.0 0.2 A 20 LEU H H 1 8.45 0.02 A 20 LEU HA H 1 5.05 0.02 A 20 LEU HBx H 1 1.09 0.02 A 20 LEU HBy H 1 1.58 0.02 A 20 LEU HDx% H 1 0.52 0.02 A 20 LEU HDy% H 1 0.79 0.02 A 20 LEU HG H 1 1.44 0.02 A 20 LEU C C 13 176.7 0.2 A 20 LEU CA C 13 53.3 0.2 A 20 LEU CB C 13 44.8 0.2 A 20 LEU CDy C 13 27.5 0.2 A 20 LEU CDx C 13 23.1 0.2 A 20 LEU CG C 13 27.0 0.2 A 20 LEU N N 15 121.4 0.2 A 21 GLU H H 1 9.03 0.02 A 21 GLU HA H 1 4.66 0.02 A 21 GLU HBx H 1 1.83 0.02 A 21 GLU HBy H 1 1.88 0.02 A 21 GLU HGx H 1 2.16 0.02 A 21 GLU HGy H 1 2.16 0.02 A 21 GLU C C 13 175.1 0.2 A 21 GLU CA C 13 54.1 0.2 A 21 GLU CB C 13 33.0 0.2 A 21 GLU CG C 13 35.8 0.2 A 21 GLU N N 15 120.7 0.2 A 22 GLU H H 1 8.95 0.02 A 22 GLU HA H 1 4.63 0.02 A 22 GLU HBx H 1 1.83 0.02 A 22 GLU HBy H 1 2.06 0.02 A 22 GLU HGx H 1 2.17 0.02 A 22 GLU HGy H 1 2.17 0.02 A 22 GLU C C 13 176.0 0.2 A 22 GLU CA C 13 56.8 0.2 A 22 GLU CB C 13 30.2 0.2 A 22 GLU CG C 13 35.8 0.2 A 22 GLU N N 15 125.9 0.2 A 23 ARG H H 1 8.83 0.02 A 23 ARG HA H 1 4.50 0.02 A 23 ARG HBx H 1 1.65 0.02 A 23 ARG HBy H 1 1.78 0.02 A 23 ARG HDx H 1 3.11 0.02 A 23 ARG HDy H 1 3.20 0.02 A 23 ARG HGx H 1 1.47 0.02 A 23 ARG HGy H 1 1.56 0.02 A 23 ARG C C 13 175.0 0.2 A 23 ARG CA C 13 55.6 0.2 A 23 ARG CB C 13 32.1 0.2 A 23 ARG CD C 13 43.4 0.2 A 23 ARG CG C 13 26.9 0.2 A 23 ARG N N 15 128.0 0.2 A 24 ASP H H 1 9.15 0.02 A 24 ASP HA H 1 4.18 0.02 A 24 ASP HBx H 1 2.75 0.02 A 24 ASP HBy H 1 2.86 0.02 A 24 ASP C C 13 174.9 0.2 A 24 ASP CA C 13 56.6 0.2 A 24 ASP CB C 13 39.6 0.2 A 24 ASP N N 15 126.0 0.2 A 25 ALA H H 1 8.48 0.02 A 25 ALA HA H 1 4.37 0.02 A 25 ALA HB% H 1 1.50 0.02 A 25 ALA C C 13 175.7 0.2 A 25 ALA CA C 13 52.6 0.2 A 25 ALA CB C 13 18.1 0.2 A 25 ALA N N 15 122.8 0.2 A 26 GLU H H 1 7.77 0.02 A 26 GLU HA H 1 5.10 0.02 A 26 GLU HBx H 1 1.85 0.02 A 26 GLU HBy H 1 1.85 0.02 A 26 GLU HGx H 1 2.10 0.02 A 26 GLU HGy H 1 2.20 0.02 A 26 GLU C C 13 174.6 0.2 A 26 GLU CA C 13 54.7 0.2 A 26 GLU CB C 13 35.1 0.2 A 26 GLU CG C 13 36.7 0.2 A 26 GLU N N 15 116.6 0.2 A 27 LEU H H 1 9.19 0.02 A 27 LEU HA H 1 5.01 0.02 A 27 LEU HBx H 1 1.29 0.02 A 27 LEU HBy H 1 1.67 0.02 A 27 LEU HDx% H 1 0.72 0.02 A 27 LEU HDy% H 1 0.72 0.02 A 27 LEU HG H 1 1.43 0.02 A 27 LEU C C 13 175.5 0.2 A 27 LEU CA C 13 53.2 0.2 A 27 LEU CB C 13 44.4 0.2 A 27 LEU CDy C 13 27.1 0.2 A 27 LEU CDx C 13 23.9 0.2 A 27 LEU CG C 13 27.1 0.2 A 27 LEU N N 15 120.9 0.2 A 28 ILE H H 1 9.48 0.02 A 28 ILE HA H 1 4.77 0.02 A 28 ILE HB H 1 1.77 0.02 A 28 ILE HD1% H 1 0.80 0.02 A 28 ILE HG1x H 1 1.08 0.02 A 28 ILE HG1y H 1 1.42 0.02 A 28 ILE HG2% H 1 0.83 0.02 A 28 ILE C C 13 175.3 0.2 A 28 ILE CA C 13 60.0 0.2 A 28 ILE CB C 13 39.7 0.2 A 28 ILE CD1 C 13 13.2 0.2 A 28 ILE CG1 C 13 28.1 0.2 A 28 ILE CG2 C 13 17.5 0.2 A 28 ILE N N 15 123.3 0.2 A 29 CYS H H 1 9.16 0.02 A 29 CYS HA H 1 4.25 0.02 A 29 CYS HBx H 1 3.00 0.02 A 29 CYS HBy H 1 3.11 0.02 A 29 CYS C C 13 176.7 0.2 A 29 CYS CA C 13 62.0 0.2 A 29 CYS CB C 13 30.4 0.2 A 29 CYS N N 15 130.8 0.2 A 30 THR H H 1 7.84 0.02 A 30 THR HA H 1 4.28 0.02 A 30 THR HB H 1 4.46 0.02 A 30 THR HG2% H 1 1.28 0.02 A 30 THR C C 13 175.3 0.2 A 30 THR CA C 13 62.4 0.2 A 30 THR CB C 13 70.5 0.2 A 30 THR CG2 C 13 21.4 0.2 A 30 THR N N 15 118.8 0.2 A 31 GLY H H 1 10.31 0.02 A 31 GLY HAx H 1 3.71 0.02 A 31 GLY HAy H 1 3.96 0.02 A 31 GLY C C 13 175.9 0.2 A 31 GLY CA C 13 45.3 0.2 A 31 GLY N N 15 120.1 0.2 A 32 GLN H H 1 8.94 0.02 A 32 GLN HA H 1 3.99 0.02 A 32 GLN HBx H 1 2.03 0.02 A 32 GLN HBy H 1 2.07 0.02 A 32 GLN HE2y H 1 7.63 0.02 A 32 GLN HE2x H 1 6.86 0.02 A 32 GLN HGx H 1 2.40 0.02 A 32 GLN HGy H 1 2.40 0.02 A 32 GLN C C 13 176.4 0.2 A 32 GLN CA C 13 58.2 0.2 A 32 GLN CB C 13 28.8 0.2 A 32 GLN CD C 13 180.4 0.2 A 32 GLN CG C 13 33.8 0.2 A 32 GLN N N 15 127.2 0.2 A 32 GLN NE2 N 15 112.9 0.2 A 33 ASP H H 1 8.56 0.02 A 33 ASP HA H 1 4.61 0.02 A 33 ASP HBx H 1 2.65 0.02 A 33 ASP HBy H 1 2.81 0.02 A 33 ASP C C 13 174.5 0.2 A 33 ASP CA C 13 54.0 0.2 A 33 ASP CB C 13 40.4 0.2 A 33 ASP N N 15 117.2 0.2 A 34 CYS H H 1 7.33 0.02 A 34 CYS HA H 1 4.48 0.02 A 34 CYS HBx H 1 2.61 0.02 A 34 CYS HBy H 1 2.83 0.02 A 34 CYS C C 13 175.5 0.2 A 34 CYS CA C 13 60.1 0.2 A 34 CYS CB C 13 31.2 0.2 A 34 CYS N N 15 123.8 0.2 A 35 GLY H H 1 8.02 0.02 A 35 GLY HAx H 1 3.94 0.02 A 35 GLY HAy H 1 4.24 0.02 A 35 GLY C C 13 173.9 0.2 A 35 GLY CA C 13 46.9 0.2 A 35 GLY N N 15 108.7 0.2 A 36 LEU H H 1 7.43 0.02 A 36 LEU HA H 1 3.93 0.02 A 36 LEU HBx H 1 0.75 0.02 A 36 LEU HBy H 1 1.54 0.02 A 36 LEU HDx% H 1 0.78 0.02 A 36 LEU HDy% H 1 0.69 0.02 A 36 LEU HG H 1 1.89 0.02 A 36 LEU C C 13 173.8 0.2 A 36 LEU CA C 13 56.4 0.2 A 36 LEU CB C 13 43.3 0.2 A 36 LEU CDy C 13 26.0 0.2 A 36 LEU CDx C 13 23.0 0.2 A 36 LEU CG C 13 27.8 0.2 A 36 LEU N N 15 121.1 0.2 A 37 ALA H H 1 7.99 0.02 A 37 ALA HA H 1 5.24 0.02 A 37 ALA HB% H 1 1.19 0.02 A 37 ALA C C 13 176.7 0.2 A 37 ALA CA C 13 49.8 0.2 A 37 ALA CB C 13 22.2 0.2 A 37 ALA N N 15 119.9 0.2 A 38 TYR H H 1 9.74 0.02 A 38 TYR HA H 1 4.73 0.02 A 38 TYR HBx H 1 2.59 0.02 A 38 TYR HBy H 1 3.33 0.02 A 38 TYR HDx H 1 7.25 0.02 A 38 TYR HDy H 1 7.25 0.02 A 38 TYR HEx H 1 6.57 0.02 A 38 TYR HEy H 1 6.57 0.02 A 38 TYR CA C 13 55.9 0.2 A 38 TYR CB C 13 38.8 0.2 A 38 TYR CDx C 13 134.0 0.2 A 38 TYR CDy C 13 134.0 0.2 A 38 TYR CEx C 13 117.5 0.2 A 38 TYR CEy C 13 117.5 0.2 A 38 TYR N N 15 125.3 0.2 A 39 PRO HA H 1 4.70 0.02 A 39 PRO HBx H 1 1.84 0.02 A 39 PRO HBy H 1 2.47 0.02 A 39 PRO HDx H 1 3.95 0.02 A 39 PRO HDy H 1 4.24 0.02 A 39 PRO HGx H 1 2.18 0.02 A 39 PRO HGy H 1 2.29 0.02 A 39 PRO C C 13 175.1 0.2 A 39 PRO CA C 13 63.1 0.2 A 39 PRO CB C 13 32.9 0.2 A 39 PRO CD C 13 50.1 0.2 A 39 PRO CG C 13 27.0 0.2 A 40 VAL H H 1 7.83 0.02 A 40 VAL HA H 1 4.19 0.02 A 40 VAL HB H 1 1.74 0.02 A 40 VAL HGx% H 1 0.52 0.02 A 40 VAL HGy% H 1 0.68 0.02 A 40 VAL C C 13 176.3 0.2 A 40 VAL CA C 13 62.1 0.2 A 40 VAL CB C 13 32.3 0.2 A 40 VAL CGy C 13 21.1 0.2 A 40 VAL CGx C 13 21.0 0.2 A 40 VAL N N 15 119.3 0.2 A 41 ARG H H 1 8.41 0.02 A 41 ARG HA H 1 4.68 0.02 A 41 ARG HBx H 1 1.64 0.02 A 41 ARG HBy H 1 1.74 0.02 A 41 ARG HDx H 1 3.18 0.02 A 41 ARG HDy H 1 3.23 0.02 A 41 ARG HGx H 1 1.49 0.02 A 41 ARG HGy H 1 1.59 0.02 A 41 ARG C C 13 175.9 0.2 A 41 ARG CA C 13 55.1 0.2 A 41 ARG CB C 13 32.2 0.2 A 41 ARG CD C 13 43.7 0.2 A 41 ARG CG C 13 27.8 0.2 A 41 ARG N N 15 127.4 0.2 A 42 ASP H H 1 9.44 0.02 A 42 ASP HA H 1 4.27 0.02 A 42 ASP HBx H 1 2.63 0.02 A 42 ASP HBy H 1 2.92 0.02 A 42 ASP C C 13 175.8 0.2 A 42 ASP CA C 13 55.4 0.2 A 42 ASP CB C 13 39.7 0.2 A 42 ASP N N 15 127.2 0.2 A 43 GLY H H 1 8.39 0.02 A 43 GLY HAx H 1 3.42 0.02 A 43 GLY HAy H 1 4.10 0.02 A 43 GLY C C 13 173.4 0.2 A 43 GLY CA C 13 45.2 0.2 A 43 GLY N N 15 102.3 0.2 A 44 ILE H H 1 7.76 0.02 A 44 ILE HA H 1 4.61 0.02 A 44 ILE HB H 1 2.02 0.02 A 44 ILE HD1% H 1 0.82 0.02 A 44 ILE HG1y H 1 1.45 0.02 A 44 ILE HG1x H 1 1.15 0.02 A 44 ILE HG2% H 1 0.92 0.02 A 44 ILE CA C 13 57.3 0.2 A 44 ILE CB C 13 39.5 0.2 A 44 ILE CD1 C 13 11.9 0.2 A 44 ILE CG1 C 13 26.7 0.2 A 44 ILE CG2 C 13 16.9 0.2 A 44 ILE N N 15 121.9 0.2 A 45 PRO HA H 1 4.57 0.02 A 45 PRO HBx H 1 1.71 0.02 A 45 PRO HBy H 1 1.90 0.02 A 45 PRO HDx H 1 3.72 0.02 A 45 PRO HDy H 1 3.93 0.02 A 45 PRO HGx H 1 1.78 0.02 A 45 PRO HGy H 1 2.04 0.02 A 45 PRO C C 13 175.9 0.2 A 45 PRO CA C 13 62.6 0.2 A 45 PRO CB C 13 32.4 0.2 A 45 PRO CD C 13 51.1 0.2 A 45 PRO CG C 13 27.7 0.2 A 46 VAL H H 1 8.79 0.02 A 46 VAL HA H 1 4.05 0.02 A 46 VAL HB H 1 2.30 0.02 A 46 VAL HGx% H 1 0.95 0.02 A 46 VAL HGy% H 1 0.94 0.02 A 46 VAL C C 13 175.2 0.2 A 46 VAL CA C 13 61.7 0.2 A 46 VAL CB C 13 30.8 0.2 A 46 VAL CGy C 13 21.7 0.2 A 46 VAL CGx C 13 20.3 0.2 A 46 VAL N N 15 127.2 0.2 A 47 LEU H H 1 8.10 0.02 A 47 LEU HA H 1 4.21 0.02 A 47 LEU HBx H 1 0.93 0.02 A 47 LEU HBy H 1 1.62 0.02 A 47 LEU HDx% H 1 0.72 0.02 A 47 LEU HDy% H 1 0.24 0.02 A 47 LEU HG H 1 1.23 0.02 A 47 LEU C C 13 175.6 0.2 A 47 LEU CA C 13 52.7 0.2 A 47 LEU CB C 13 39.4 0.2 A 47 LEU CDy C 13 26.0 0.2 A 47 LEU CDx C 13 23.2 0.2 A 47 LEU CG C 13 26.1 0.2 A 47 LEU N N 15 127.1 0.2 A 48 LEU H H 1 7.37 0.02 A 48 LEU HA H 1 4.83 0.02 A 48 LEU HBx H 1 1.46 0.02 A 48 LEU HBy H 1 1.61 0.02 A 48 LEU HDx% H 1 0.90 0.02 A 48 LEU HDy% H 1 0.95 0.02 A 48 LEU HG H 1 1.51 0.02 A 48 LEU C C 13 177.9 0.2 A 48 LEU CA C 13 52.8 0.2 A 48 LEU CB C 13 44.2 0.2 A 48 LEU CDy C 13 25.4 0.2 A 48 LEU CDx C 13 23.5 0.2 A 48 LEU CG C 13 26.8 0.2 A 48 LEU N N 15 121.2 0.2 A 49 VAL H H 1 9.02 0.02 A 49 VAL HA H 1 3.79 0.02 A 49 VAL HB H 1 2.07 0.02 A 49 VAL HGx% H 1 0.99 0.02 A 49 VAL HGy% H 1 1.11 0.02 A 49 VAL C C 13 178.1 0.2 A 49 VAL CA C 13 66.7 0.2 A 49 VAL CB C 13 31.9 0.2 A 49 VAL CGx C 13 21.4 0.2 A 49 VAL CGy C 13 22.2 0.2 A 49 VAL N N 15 124.6 0.2 A 50 ASP H H 1 8.75 0.02 A 50 ASP HA H 1 4.49 0.02 A 50 ASP HBx H 1 2.59 0.02 A 50 ASP HBy H 1 2.76 0.02 A 50 ASP C C 13 176.9 0.2 A 50 ASP CA C 13 56.2 0.2 A 50 ASP CB C 13 40.4 0.2 A 50 ASP N N 15 117.3 0.2 A 51 GLU H H 1 7.50 0.02 A 51 GLU HA H 1 4.47 0.02 A 51 GLU HBx H 1 1.83 0.02 A 51 GLU HBy H 1 2.45 0.02 A 51 GLU HGx H 1 2.15 0.02 A 51 GLU HGy H 1 2.28 0.02 A 51 GLU C C 13 175.3 0.2 A 51 GLU CA C 13 55.6 0.2 A 51 GLU CB C 13 30.3 0.2 A 51 GLU CG C 13 36.0 0.2 A 51 GLU N N 15 116.1 0.2 A 52 ALA H H 1 7.37 0.02 A 52 ALA HA H 1 4.36 0.02 A 52 ALA HB% H 1 1.03 0.02 A 52 ALA C C 13 177.1 0.2 A 52 ALA CA C 13 51.9 0.2 A 52 ALA CB C 13 20.9 0.2 A 52 ALA N N 15 122.0 0.2 A 53 ARG H H 1 8.88 0.02 A 53 ARG HA H 1 4.56 0.02 A 53 ARG HBx H 1 1.73 0.02 A 53 ARG HBy H 1 1.84 0.02 A 53 ARG HDx H 1 3.09 0.02 A 53 ARG HDy H 1 3.31 0.02 A 53 ARG HE H 1 8.38 0.02 A 53 ARG HGx H 1 1.46 0.02 A 53 ARG HGy H 1 1.52 0.02 A 53 ARG C C 13 175.8 0.2 A 53 ARG CA C 13 54.9 0.2 A 53 ARG CB C 13 32.5 0.2 A 53 ARG CD C 13 43.2 0.2 A 53 ARG CG C 13 27.8 0.2 A 53 ARG N N 15 121.5 0.2 A 53 ARG NE N 15 84.0 0.2 A 54 ARG H H 1 8.78 0.02 A 54 ARG HA H 1 4.56 0.02 A 54 ARG HBx H 1 1.67 0.02 A 54 ARG HBy H 1 1.86 0.02 A 54 ARG HDx H 1 3.16 0.02 A 54 ARG HDy H 1 3.16 0.02 A 54 ARG HGx H 1 1.58 0.02 A 54 ARG HGy H 1 1.66 0.02 A 54 ARG CA C 13 54.0 0.2 A 54 ARG CB C 13 30.1 0.2 A 54 ARG CD C 13 43.3 0.2 A 54 ARG CG C 13 27.9 0.2 A 54 ARG N N 15 127.2 0.2 A 55 PRO HA H 1 4.38 0.02 A 55 PRO HBx H 1 1.95 0.02 A 55 PRO HBy H 1 2.26 0.02 A 55 PRO HDx H 1 3.71 0.02 A 55 PRO HDy H 1 3.71 0.02 A 55 PRO HGx H 1 2.02 0.02 A 55 PRO HGy H 1 2.02 0.02 A 55 PRO C C 13 176.0 0.2 A 55 PRO CA C 13 63.5 0.2 A 55 PRO CB C 13 32.0 0.2 A 55 PRO CD C 13 51.0 0.2 A 55 PRO CG C 13 27.5 0.2 A 56 GLU H H 1 8.06 0.02 A 56 GLU HA H 1 4.09 0.02 A 56 GLU HBx H 1 1.86 0.02 A 56 GLU HBy H 1 2.03 0.02 A 56 GLU HGx H 1 2.22 0.02 A 56 GLU HGy H 1 2.22 0.02 A 56 GLU CA C 13 58.0 0.2 A 56 GLU CB C 13 31.2 0.2 A 56 GLU CG C 13 36.4 0.2 A 56 GLU N N 15 126.3 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 11 LEU HA A 11 LEU HDy% 1.0 1.8 3.66 2 1 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 3.66 3 2 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.41 4 3 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.41 5 4 A 11 LEU HA A 12 ALA HB% 1.0 1.8 5.15 6 5 A 11 LEU HA A 12 ALA H 1.0 1.8 3.42 7 6 A 20 LEU HDx% A 11 LEU HBx 1.0 1.8 4.05 8 6 A 11 LEU HBy A 20 LEU HDx% 1.0 1.8 4.05 9 7 A 11 LEU HDx% A 11 LEU HBy 1.0 1.8 4.66 10 8 A 11 LEU HBy A 11 LEU HDy% 1.0 1.8 4.66 11 9 A 11 LEU HDx% A 11 LEU HBx 1.0 1.8 4.66 12 10 A 11 LEU HBx A 11 LEU HDy% 1.0 1.8 4.66 13 11 A 12 ALA H A 11 LEU HDy% 1.0 1.8 5.24 14 11 A 11 LEU HDx% A 12 ALA H 1.0 1.8 5.24 15 12 A 11 LEU HDx% A 20 LEU HBy 1.0 1.8 4.85 16 12 A 20 LEU HBy A 11 LEU HDy% 1.0 1.8 4.85 17 13 A 11 LEU HDy% A 20 LEU HBx 1.0 1.8 4.85 18 13 A 11 LEU HDx% A 20 LEU HBx 1.0 1.8 4.85 19 14 A 20 LEU HDx% A 11 LEU HDy% 1.0 1.8 4.71 20 14 A 11 LEU HDx% A 20 LEU HDx% 1.0 1.8 4.71 21 15 A 11 LEU HDx% A 20 LEU HBy 1.0 1.8 5.53 22 15 A 11 LEU HDx% A 20 LEU HBx 1.0 1.8 5.53 23 16 A 20 LEU HBy A 11 LEU HDy% 1.0 1.8 5.53 24 16 A 11 LEU HDy% A 20 LEU HBx 1.0 1.8 5.53 25 17 A 11 LEU H A 11 LEU HDy% 1.0 1.8 4.92 26 17 A 11 LEU HDx% A 11 LEU H 1.0 1.8 4.92 27 18 A 11 LEU HDx% A 11 LEU H 1.0 1.8 5.73 28 19 A 11 LEU H A 11 LEU HDy% 1.0 1.8 5.73 29 20 A 11 LEU H A 11 LEU HG 1.0 1.8 4.88 30 21 A 12 ALA HA A 13 CYS H 1.0 1.8 3.60 31 22 A 20 LEU HDx% A 12 ALA HA 1.0 1.8 5.80 32 23 A 12 ALA HA A 20 LEU HG 1.0 1.8 5.10 33 24 A 12 ALA HB% A 13 CYS H 1.0 1.8 4.32 34 25 A 12 ALA HB% A 17 HIS HBx 1.0 1.8 4.80 35 25 A 12 ALA HB% A 17 HIS HBy 1.0 1.8 4.80 36 26 A 12 ALA H A 20 LEU HDy% 1.0 1.8 5.68 37 27 A 13 CYS HA A 14 PRO HDx 1.0 1.8 3.40 38 27 A 13 CYS HA A 14 PRO HDy 1.0 1.8 3.40 39 28 A 20 LEU HDx% A 13 CYS HA 1.0 1.8 4.80 40 29 A 20 LEU HDy% A 13 CYS HA 1.0 1.8 4.35 41 30 A 17 HIS HA A 13 CYS HBx 1.0 1.8 5.21 42 30 A 13 CYS HBy A 17 HIS HA 1.0 1.8 5.21 43 31 A 17 HIS H A 13 CYS HBx 1.0 1.8 5.00 44 31 A 13 CYS HBy A 17 HIS H 1.0 1.8 5.00 45 32 A 18 ALA HB% A 13 CYS HBx 1.0 1.8 5.97 46 32 A 13 CYS HBy A 18 ALA HB% 1.0 1.8 5.97 47 33 A 13 CYS HBy A 18 ALA H 1.0 1.8 4.94 48 34 A 20 LEU HDy% A 13 CYS HBy 1.0 1.8 4.94 49 35 A 18 ALA H A 13 CYS HBx 1.0 1.8 4.94 50 36 A 20 LEU HDy% A 13 CYS HBx 1.0 1.8 4.94 51 37 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.98 52 38 A 13 CYS H A 13 CYS HBx 1.0 1.8 3.98 53 39 A 13 CYS H A 20 LEU HDy% 1.0 1.8 5.32 54 40 A 13 CYS H A 20 LEU HG 1.0 1.8 5.47 55 41 A 15 ALA H A 14 PRO HBy 1.0 1.8 4.54 56 41 A 14 PRO HBx A 15 ALA H 1.0 1.8 4.54 57 42 A 14 PRO HBy A 47 LEU HBx 1.0 1.8 4.94 58 42 A 14 PRO HBx A 47 LEU HBx 1.0 1.8 4.94 59 42 A 47 LEU HBy A 14 PRO HBy 1.0 1.8 4.94 60 42 A 14 PRO HBx A 47 LEU HBy 1.0 1.8 4.94 61 43 A 49 VAL HGx% A 14 PRO HBy 1.0 1.8 5.56 62 43 A 14 PRO HBx A 49 VAL HGx% 1.0 1.8 5.56 63 44 A 49 VAL HGy% A 14 PRO HBy 1.0 1.8 5.02 64 45 A 14 PRO HBx A 49 VAL HGy% 1.0 1.8 5.02 65 46 A 15 ALA H A 14 PRO HDx 1.0 1.8 6.05 66 46 A 14 PRO HDy A 15 ALA H 1.0 1.8 6.05 67 47 A 20 LEU HDx% A 14 PRO HDx 1.0 1.8 5.35 68 47 A 20 LEU HDx% A 14 PRO HDy 1.0 1.8 5.35 69 48 A 14 PRO HDy A 47 LEU HBx 1.0 1.8 5.35 70 48 A 14 PRO HDx A 47 LEU HBx 1.0 1.8 5.35 71 48 A 47 LEU HBy A 14 PRO HDx 1.0 1.8 5.35 72 48 A 14 PRO HDy A 47 LEU HBy 1.0 1.8 5.35 73 49 A 47 LEU HDx% A 14 PRO HDx 1.0 1.8 6.05 74 49 A 14 PRO HDy A 47 LEU HDx% 1.0 1.8 6.05 75 50 A 47 LEU HDy% A 14 PRO HDx 1.0 1.8 4.96 76 50 A 14 PRO HDy A 47 LEU HDy% 1.0 1.8 4.96 77 51 A 14 PRO HGy A 47 LEU HBx 1.0 1.8 6.05 78 51 A 14 PRO HGx A 47 LEU HBx 1.0 1.8 6.05 79 51 A 47 LEU HBy A 14 PRO HGx 1.0 1.8 6.05 80 51 A 47 LEU HBy A 14 PRO HGy 1.0 1.8 6.05 81 52 A 47 LEU HDy% A 14 PRO HGx 1.0 1.8 5.95 82 52 A 47 LEU HDy% A 14 PRO HGy 1.0 1.8 5.95 83 53 A 49 VAL HGx% A 14 PRO HGx 1.0 1.8 6.05 84 53 A 49 VAL HGx% A 14 PRO HGy 1.0 1.8 6.05 85 54 A 49 VAL HGy% A 14 PRO HGx 1.0 1.8 4.81 86 54 A 49 VAL HGy% A 14 PRO HGy 1.0 1.8 4.81 87 55 A 49 VAL HGy% A 15 ALA HA 1.0 1.8 5.38 88 56 A 15 ALA HB% A 16 CYS H 1.0 1.8 4.00 89 57 A 15 ALA HB% A 36 LEU HDx% 1.0 1.8 4.90 90 58 A 15 ALA HB% A 36 LEU HDy% 1.0 1.8 7.20 91 59 A 49 VAL HGx% A 15 ALA HB% 1.0 1.8 4.75 92 60 A 49 VAL HGy% A 15 ALA HB% 1.0 1.8 3.63 93 61 A 15 ALA H A 16 CYS H 1.0 1.8 3.66 94 62 A 17 HIS H A 16 CYS HBx 1.0 1.8 4.57 95 62 A 17 HIS H A 16 CYS HBy 1.0 1.8 4.57 96 63 A 17 HIS H A 18 ALA H 1.0 1.8 4.27 97 64 A 18 ALA HA A 19 PRO HDx 1.0 1.8 3.26 98 64 A 18 ALA HA A 19 PRO HDy 1.0 1.8 3.26 99 65 A 18 ALA HB% A 19 PRO HA 1.0 1.8 5.72 100 66 A 18 ALA HB% A 19 PRO HDx 1.0 1.8 3.49 101 66 A 18 ALA HB% A 19 PRO HDy 1.0 1.8 3.49 102 67 A 18 ALA HB% A 30 THR H 1.0 1.8 6.03 103 68 A 18 ALA HB% A 31 GLY HAx 1.0 1.8 4.00 104 68 A 18 ALA HB% A 31 GLY HAy 1.0 1.8 4.00 105 69 A 18 ALA HB% A 31 GLY H 1.0 1.8 4.16 106 70 A 18 ALA HB% A 18 ALA H 1.0 1.8 3.67 107 71 A 20 LEU HG A 19 PRO HA 1.0 1.8 5.29 108 72 A 19 PRO HA A 20 LEU H 1.0 1.8 3.55 109 73 A 20 LEU HDy% A 20 LEU HA 1.0 1.8 3.87 110 74 A 20 LEU HA A 21 GLU H 1.0 1.8 3.66 111 75 A 20 LEU HA A 29 CYS HA 1.0 1.8 4.29 112 76 A 20 LEU HA A 30 THR HG2% 1.0 1.8 4.80 113 77 A 30 THR H A 20 LEU HA 1.0 1.8 5.04 114 78 A 20 LEU HDy% A 20 LEU HBx 1.0 1.8 4.65 115 78 A 20 LEU HBy A 20 LEU HDy% 1.0 1.8 4.65 116 79 A 21 GLU H A 20 LEU HBx 1.0 1.8 4.44 117 79 A 20 LEU HBy A 21 GLU H 1.0 1.8 4.44 118 80 A 20 LEU HBy A 27 LEU HBx 1.0 1.8 4.91 119 80 A 20 LEU HBx A 27 LEU HBx 1.0 1.8 4.91 120 80 A 27 LEU HBy A 20 LEU HBx 1.0 1.8 4.91 121 80 A 20 LEU HBy A 27 LEU HBy 1.0 1.8 4.91 122 81 A 20 LEU HDx% A 20 LEU HBy 1.0 1.8 4.49 123 82 A 20 LEU HDx% A 20 LEU HBx 1.0 1.8 4.49 124 83 A 20 LEU HDx% A 27 LEU HBy 1.0 1.8 5.14 125 84 A 20 LEU HDx% A 27 LEU HBx 1.0 1.8 5.14 126 85 A 20 LEU HDx% A 47 LEU HDy% 1.0 1.8 4.13 127 86 A 20 LEU HDy% A 21 GLU H 1.0 1.8 5.39 128 87 A 20 LEU HDy% A 29 CYS HA 1.0 1.8 3.65 129 88 A 20 LEU HDy% A 29 CYS HBy 1.0 1.8 4.57 130 89 A 20 LEU HDy% A 29 CYS HBx 1.0 1.8 4.57 131 90 A 20 LEU HDy% A 29 CYS H 1.0 1.8 4.84 132 91 A 20 LEU HDy% A 30 THR H 1.0 1.8 4.49 133 92 A 20 LEU HDy% A 38 TYR HD% 1.0 1.8 4.88 134 93 A 20 LEU HDy% A 38 TYR HE% 1.0 1.8 5.57 135 94 A 20 LEU HDy% A 47 LEU HDy% 1.0 1.8 4.74 136 95 A 20 LEU HDy% A 20 LEU H 1.0 1.8 4.95 137 96 A 20 LEU HG A 20 LEU H 1.0 1.8 4.29 138 97 A 21 GLU HA A 22 GLU H 1.0 1.8 3.50 139 98 A 30 THR HG2% A 21 GLU HBy 1.0 1.8 4.48 140 99 A 30 THR HG2% A 21 GLU HBx 1.0 1.8 4.48 141 100 A 22 GLU H A 21 GLU HGx 1.0 1.8 5.21 142 100 A 22 GLU H A 21 GLU HGy 1.0 1.8 5.21 143 101 A 30 THR HG2% A 21 GLU HGx 1.0 1.8 4.13 144 101 A 30 THR HG2% A 21 GLU HGy 1.0 1.8 4.13 145 102 A 21 GLU H A 28 ILE H 1.0 1.8 5.03 146 103 A 21 GLU H A 29 CYS HA 1.0 1.8 6.05 147 104 A 21 GLU H A 30 THR HG2% 1.0 1.8 5.16 148 105 A 22 GLU HA A 23 ARG H 1.0 1.8 3.43 149 106 A 22 GLU HA A 27 LEU HA 1.0 1.8 4.51 150 107 A 22 GLU HA A 27 LEU HDy% 1.0 1.8 3.98 151 108 A 28 ILE H A 22 GLU HA 1.0 1.8 5.93 152 109 A 27 LEU HDy% A 22 GLU HBx 1.0 1.8 4.65 153 109 A 27 LEU HDy% A 22 GLU HBy 1.0 1.8 4.65 154 110 A 23 ARG H A 22 GLU HGx 1.0 1.8 4.85 155 110 A 23 ARG H A 22 GLU HGy 1.0 1.8 4.85 156 111 A 27 LEU HDy% A 22 GLU HGx 1.0 1.8 4.44 157 111 A 27 LEU HDy% A 22 GLU HGy 1.0 1.8 4.44 158 112 A 22 GLU H A 22 GLU HBx 1.0 1.8 3.77 159 112 A 22 GLU H A 22 GLU HBy 1.0 1.8 3.77 160 113 A 22 GLU H A 22 GLU HGx 1.0 1.8 5.46 161 113 A 22 GLU H A 22 GLU HGy 1.0 1.8 5.46 162 114 A 23 ARG HA A 23 ARG HDx 1.0 1.8 4.64 163 114 A 23 ARG HA A 23 ARG HDy 1.0 1.8 4.64 164 115 A 23 ARG HA A 24 ASP H 1.0 1.8 3.44 165 116 A 23 ARG H A 26 GLU H 1.0 1.8 5.37 166 117 A 23 ARG H A 27 LEU HA 1.0 1.8 5.02 167 118 A 26 GLU H A 24 ASP HA 1.0 1.8 6.05 168 119 A 25 ALA H A 24 ASP HBx 1.0 1.8 4.19 169 119 A 24 ASP HBy A 25 ALA H 1.0 1.8 4.19 170 120 A 26 GLU H A 25 ALA H 1.0 1.8 4.17 171 121 A 26 GLU HA A 26 GLU HGx 1.0 1.8 3.96 172 121 A 26 GLU HA A 26 GLU HGy 1.0 1.8 3.96 173 122 A 26 GLU HA A 27 LEU H 1.0 1.8 3.74 174 123 A 26 GLU HA A 39 PRO HA 1.0 1.8 5.98 175 124 A 26 GLU HA A 40 VAL HGy% 1.0 1.8 4.35 176 125 A 26 GLU HA A 40 VAL H 1.0 1.8 5.87 177 126 A 27 LEU H A 26 GLU HBx 1.0 1.8 4.03 178 126 A 27 LEU H A 26 GLU HBy 1.0 1.8 4.03 179 127 A 28 ILE HD1% A 26 GLU HBx 1.0 1.8 4.73 180 127 A 26 GLU HBy A 28 ILE HD1% 1.0 1.8 4.73 181 128 A 26 GLU HBx A 28 ILE HG1y 1.0 1.8 5.83 182 128 A 26 GLU HBy A 28 ILE HG1y 1.0 1.8 5.83 183 128 A 28 ILE HG1x A 26 GLU HBx 1.0 1.8 5.83 184 128 A 26 GLU HBy A 28 ILE HG1x 1.0 1.8 5.83 185 129 A 37 ALA HB% A 26 GLU HBx 1.0 1.8 5.46 186 129 A 26 GLU HBy A 37 ALA HB% 1.0 1.8 5.46 187 130 A 39 PRO HA A 26 GLU HBx 1.0 1.8 4.92 188 130 A 39 PRO HA A 26 GLU HBy 1.0 1.8 4.92 189 131 A 39 PRO HA A 26 GLU HGx 1.0 1.8 4.63 190 131 A 26 GLU HGy A 39 PRO HA 1.0 1.8 4.63 191 132 A 26 GLU H A 26 GLU HGx 1.0 1.8 4.72 192 132 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.72 193 133 A 27 LEU HA A 27 LEU HDy% 1.0 1.8 3.94 194 134 A 28 ILE H A 27 LEU HA 1.0 1.8 3.49 195 135 A 47 LEU HDy% A 27 LEU HBx 1.0 1.8 4.73 196 135 A 47 LEU HDy% A 27 LEU HBy 1.0 1.8 4.73 197 136 A 27 LEU HBy A 27 LEU HDx% 1.0 1.8 4.38 198 137 A 27 LEU HBy A 27 LEU HDy% 1.0 1.8 4.53 199 138 A 27 LEU HBy A 38 TYR HBy 1.0 1.8 6.03 200 138 A 27 LEU HBy A 38 TYR HBx 1.0 1.8 6.03 201 139 A 27 LEU HDx% A 27 LEU HBx 1.0 1.8 4.38 202 140 A 27 LEU HDy% A 27 LEU HBx 1.0 1.8 4.53 203 141 A 38 TYR HBy A 27 LEU HBx 1.0 1.8 6.03 204 141 A 27 LEU HBx A 38 TYR HBx 1.0 1.8 6.03 205 142 A 27 LEU HDx% A 38 TYR HBx 1.0 1.8 5.26 206 142 A 27 LEU HDx% A 38 TYR HBy 1.0 1.8 5.26 207 143 A 27 LEU HDx% A 45 PRO HA 1.0 1.8 5.60 208 144 A 27 LEU HDx% A 45 PRO HBy 1.0 1.8 4.47 209 144 A 27 LEU HDx% A 45 PRO HBx 1.0 1.8 4.47 210 145 A 27 LEU HDx% A 45 PRO HGy 1.0 1.8 5.13 211 146 A 27 LEU HDx% A 45 PRO HGx 1.0 1.8 5.13 212 147 A 47 LEU HDy% A 27 LEU HDx% 1.0 1.8 4.51 213 148 A 28 ILE H A 27 LEU HDy% 1.0 1.8 6.08 214 149 A 40 VAL HGy% A 27 LEU HG 1.0 1.8 4.44 215 150 A 27 LEU H A 27 LEU HG 1.0 1.8 4.81 216 151 A 27 LEU H A 38 TYR H 1.0 1.8 4.39 217 152 A 27 LEU H A 40 VAL HGy% 1.0 1.8 5.57 218 153 A 28 ILE HD1% A 28 ILE HA 1.0 1.8 5.05 219 154 A 29 CYS H A 28 ILE HA 1.0 1.8 3.50 220 155 A 28 ILE HA A 37 ALA HA 1.0 1.8 3.75 221 156 A 37 ALA HB% A 28 ILE HA 1.0 1.8 4.13 222 157 A 38 TYR H A 28 ILE HA 1.0 1.8 4.99 223 158 A 28 ILE HD1% A 37 ALA HB% 1.0 1.8 4.73 224 159 A 37 ALA HA A 28 ILE HG1y 1.0 1.8 5.87 225 159 A 28 ILE HG1x A 37 ALA HA 1.0 1.8 5.87 226 160 A 28 ILE HG2% A 28 ILE HG1y 1.0 1.8 4.41 227 161 A 28 ILE HG1x A 28 ILE HG2% 1.0 1.8 4.41 228 162 A 29 CYS H A 28 ILE HG2% 1.0 1.8 4.91 229 163 A 37 ALA HA A 28 ILE HG2% 1.0 1.8 4.81 230 164 A 37 ALA HB% A 28 ILE HG2% 1.0 1.8 4.16 231 165 A 28 ILE H A 28 ILE HB 1.0 1.8 4.14 232 166 A 28 ILE H A 28 ILE HD1% 1.0 1.8 5.12 233 167 A 28 ILE H A 28 ILE HG1y 1.0 1.8 4.22 234 167 A 28 ILE H A 28 ILE HG1x 1.0 1.8 4.22 235 168 A 29 CYS HBx A 35 GLY HAx 1.0 1.8 5.01 236 168 A 29 CYS HBy A 35 GLY HAx 1.0 1.8 5.01 237 168 A 35 GLY HAy A 29 CYS HBx 1.0 1.8 5.01 238 168 A 29 CYS HBy A 35 GLY HAy 1.0 1.8 5.01 239 169 A 37 ALA H A 29 CYS HBx 1.0 1.8 5.81 240 169 A 29 CYS HBy A 37 ALA H 1.0 1.8 5.81 241 170 A 29 CYS HBy A 36 LEU H 1.0 1.8 4.65 242 171 A 36 LEU H A 29 CYS HBx 1.0 1.8 4.65 243 172 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.98 244 173 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.98 245 174 A 29 CYS H A 37 ALA HA 1.0 1.8 4.94 246 175 A 30 THR HG2% A 30 THR HA 1.0 1.8 3.59 247 176 A 30 THR H A 30 THR HG2% 1.0 1.8 3.93 248 177 A 30 THR H A 31 GLY H 1.0 1.8 4.26 249 178 A 32 GLN H A 31 GLY HAx 1.0 1.8 3.22 250 178 A 31 GLY HAy A 32 GLN H 1.0 1.8 3.22 251 179 A 32 GLN HA A 34 CYS H 1.0 1.8 5.08 252 180 A 32 GLN H A 32 GLN HBx 1.0 1.8 3.62 253 180 A 32 GLN H A 32 GLN HBy 1.0 1.8 3.62 254 181 A 32 GLN H A 32 GLN HGx 1.0 1.8 4.69 255 181 A 32 GLN H A 32 GLN HGy 1.0 1.8 4.69 256 182 A 32 GLN H A 33 ASP H 1.0 1.8 4.35 257 183 A 34 CYS H A 33 ASP H 1.0 1.8 3.88 258 184 A 34 CYS HBy A 35 GLY H 1.0 1.8 4.73 259 185 A 35 GLY H A 34 CYS HBx 1.0 1.8 4.73 260 186 A 34 CYS H A 35 GLY H 1.0 1.8 5.21 261 187 A 36 LEU H A 35 GLY H 1.0 1.8 4.44 262 188 A 36 LEU HDx% A 36 LEU HA 1.0 1.8 5.04 263 189 A 36 LEU HDy% A 36 LEU HA 1.0 1.8 3.61 264 190 A 37 ALA H A 36 LEU HA 1.0 1.8 3.43 265 191 A 36 LEU HA A 54 ARG HA 1.0 1.8 4.68 266 192 A 36 LEU HA A 55 PRO HDx 1.0 1.8 5.02 267 192 A 36 LEU HA A 55 PRO HDy 1.0 1.8 5.02 268 193 A 36 LEU HDx% A 36 LEU HBx 1.0 1.8 4.00 269 193 A 36 LEU HDx% A 36 LEU HBy 1.0 1.8 4.00 270 194 A 36 LEU HDy% A 36 LEU HBx 1.0 1.8 4.25 271 194 A 36 LEU HDy% A 36 LEU HBy 1.0 1.8 4.25 272 195 A 52 ALA HB% A 36 LEU HBx 1.0 1.8 4.24 273 195 A 36 LEU HBy A 52 ALA HB% 1.0 1.8 4.24 274 196 A 37 ALA H A 36 LEU HBy 1.0 1.8 6.05 275 197 A 37 ALA H A 36 LEU HBx 1.0 1.8 6.05 276 198 A 36 LEU HDx% A 49 VAL HA 1.0 1.8 5.15 277 199 A 49 VAL HGx% A 36 LEU HDx% 1.0 1.8 5.80 278 200 A 49 VAL HGy% A 36 LEU HDx% 1.0 1.8 4.80 279 201 A 36 LEU HDy% A 37 ALA H 1.0 1.8 6.04 280 202 A 36 LEU HDy% A 52 ALA HB% 1.0 1.8 4.70 281 203 A 36 LEU HDy% A 54 ARG HA 1.0 1.8 4.33 282 204 A 36 LEU HDy% A 54 ARG HDx 1.0 1.8 5.13 283 204 A 36 LEU HDy% A 54 ARG HDy 1.0 1.8 5.13 284 205 A 36 LEU HDy% A 54 ARG HGx 1.0 1.8 4.38 285 205 A 36 LEU HDy% A 54 ARG HGy 1.0 1.8 4.38 286 206 A 36 LEU HDy% A 55 PRO HDx 1.0 1.8 4.73 287 206 A 36 LEU HDy% A 55 PRO HDy 1.0 1.8 4.73 288 207 A 36 LEU H A 36 LEU HBx 1.0 1.8 3.78 289 207 A 36 LEU H A 36 LEU HBy 1.0 1.8 3.78 290 208 A 36 LEU HDx% A 36 LEU H 1.0 1.8 4.95 291 209 A 36 LEU HDy% A 36 LEU H 1.0 1.8 5.10 292 210 A 36 LEU H A 36 LEU HG 1.0 1.8 3.82 293 211 A 37 ALA H A 36 LEU H 1.0 1.8 5.10 294 212 A 38 TYR HD% A 37 ALA HA 1.0 1.8 5.46 295 213 A 38 TYR H A 37 ALA HA 1.0 1.8 3.51 296 214 A 37 ALA HB% A 53 ARG HBx 1.0 1.8 4.33 297 214 A 37 ALA HB% A 53 ARG HBy 1.0 1.8 4.33 298 215 A 37 ALA H A 52 ALA HB% 1.0 1.8 5.49 299 216 A 37 ALA H A 53 ARG H 1.0 1.8 4.60 300 217 A 38 TYR HA A 39 PRO HDy 1.0 1.8 3.40 301 217 A 38 TYR HA A 39 PRO HDx 1.0 1.8 3.40 302 218 A 38 TYR HA A 52 ALA HA 1.0 1.8 4.61 303 219 A 52 ALA HB% A 38 TYR HA 1.0 1.8 5.49 304 220 A 53 ARG H A 38 TYR HA 1.0 1.8 5.69 305 221 A 47 LEU HA A 38 TYR HBx 1.0 1.8 5.08 306 221 A 38 TYR HBy A 47 LEU HA 1.0 1.8 5.08 307 222 A 47 LEU HDy% A 38 TYR HBy 1.0 1.8 4.83 308 223 A 47 LEU HDy% A 38 TYR HBx 1.0 1.8 4.83 309 224 A 38 TYR HD% A 47 LEU HA 1.0 1.8 4.54 310 225 A 47 LEU HDy% A 38 TYR HD% 1.0 1.8 5.19 311 226 A 38 TYR HE% A 49 VAL HA 1.0 1.8 4.37 312 227 A 38 TYR HE% A 52 ALA HB% 1.0 1.8 5.22 313 228 A 38 TYR HD% A 38 TYR H 1.0 1.8 4.32 314 229 A 39 PRO HA A 40 VAL H 1.0 1.8 3.45 315 230 A 40 VAL H A 39 PRO HDy 1.0 1.8 6.05 316 230 A 40 VAL H A 39 PRO HDx 1.0 1.8 6.05 317 231 A 46 VAL HB A 39 PRO HDy 1.0 1.8 5.85 318 231 A 39 PRO HDx A 46 VAL HB 1.0 1.8 5.85 319 232 A 52 ALA HA A 39 PRO HDy 1.0 1.8 4.97 320 233 A 39 PRO HDx A 52 ALA HA 1.0 1.8 4.97 321 234 A 40 VAL HA A 40 VAL HGx% 1.0 1.8 3.94 322 235 A 40 VAL HGy% A 40 VAL HA 1.0 1.8 4.06 323 236 A 40 VAL HA A 41 ARG H 1.0 1.8 3.59 324 237 A 45 PRO HA A 40 VAL HA 1.0 1.8 3.60 325 238 A 40 VAL HA A 46 VAL HGy% 1.0 1.8 5.06 326 239 A 40 VAL HA A 46 VAL H 1.0 1.8 4.86 327 240 A 40 VAL HGx% A 41 ARG H 1.0 1.8 4.47 328 241 A 40 VAL HGx% A 43 GLY HAx 1.0 1.8 5.13 329 241 A 40 VAL HGx% A 43 GLY HAy 1.0 1.8 5.13 330 242 A 40 VAL HGx% A 43 GLY H 1.0 1.8 4.46 331 243 A 40 VAL HGx% A 44 ILE H 1.0 1.8 4.73 332 244 A 45 PRO HA A 40 VAL HGx% 1.0 1.8 4.57 333 245 A 40 VAL HGx% A 45 PRO HDy 1.0 1.8 5.05 334 245 A 40 VAL HGx% A 45 PRO HDx 1.0 1.8 5.05 335 246 A 40 VAL HGy% A 41 ARG H 1.0 1.8 5.18 336 247 A 40 VAL HGy% A 45 PRO HA 1.0 1.8 3.99 337 248 A 40 VAL HGy% A 45 PRO HBy 1.0 1.8 4.61 338 248 A 40 VAL HGy% A 45 PRO HBx 1.0 1.8 4.61 339 249 A 40 VAL HGy% A 45 PRO HGy 1.0 1.8 5.06 340 249 A 40 VAL HGy% A 45 PRO HGx 1.0 1.8 5.06 341 250 A 40 VAL HGy% A 46 VAL H 1.0 1.8 5.12 342 251 A 40 VAL H A 40 VAL HB 1.0 1.8 3.98 343 252 A 40 VAL HGy% A 40 VAL H 1.0 1.8 4.39 344 253 A 41 ARG HA A 41 ARG HGx 1.0 1.8 3.86 345 253 A 41 ARG HA A 41 ARG HGy 1.0 1.8 3.86 346 254 A 41 ARG HA A 42 ASP H 1.0 1.8 3.69 347 255 A 46 VAL HGy% A 41 ARG HBx 1.0 1.8 4.55 348 255 A 46 VAL HGy% A 41 ARG HBy 1.0 1.8 4.55 349 256 A 46 VAL HGy% A 41 ARG HGx 1.0 1.8 5.41 350 256 A 46 VAL HGy% A 41 ARG HGy 1.0 1.8 5.41 351 257 A 46 VAL HGy% A 41 ARG HDx 1.0 1.8 4.80 352 257 A 46 VAL HGy% A 41 ARG HDy 1.0 1.8 4.80 353 258 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.39 354 258 A 41 ARG H A 41 ARG HGy 1.0 1.8 5.39 355 259 A 41 ARG H A 44 ILE H 1.0 1.8 4.50 356 260 A 45 PRO HA A 41 ARG H 1.0 1.8 5.32 357 261 A 43 GLY H A 42 ASP H 1.0 1.8 4.44 358 262 A 43 GLY H A 44 ILE H 1.0 1.8 4.49 359 263 A 44 ILE HA A 44 ILE HD1% 1.0 1.8 4.66 360 264 A 44 ILE HA A 45 PRO HDy 1.0 1.8 3.45 361 265 A 45 PRO HDx A 44 ILE HA 1.0 1.8 3.45 362 266 A 44 ILE HA A 45 PRO HGy 1.0 1.8 5.81 363 266 A 45 PRO HGx A 44 ILE HA 1.0 1.8 5.81 364 267 A 44 ILE HD1% A 45 PRO HDy 1.0 1.8 5.52 365 267 A 45 PRO HDx A 44 ILE HD1% 1.0 1.8 5.52 366 268 A 44 ILE HG2% A 44 ILE HG1y 1.0 1.8 3.53 367 268 A 44 ILE HG2% A 44 ILE HG1x 1.0 1.8 3.53 368 269 A 44 ILE HG2% A 45 PRO HDy 1.0 1.8 3.76 369 269 A 45 PRO HDx A 44 ILE HG2% 1.0 1.8 3.76 370 270 A 44 ILE H A 44 ILE HB 1.0 1.8 3.95 371 271 A 44 ILE H A 44 ILE HD1% 1.0 1.8 5.36 372 272 A 44 ILE H A 44 ILE HG1y 1.0 1.8 4.23 373 272 A 44 ILE H A 44 ILE HG1x 1.0 1.8 4.23 374 273 A 45 PRO HA A 46 VAL HGy% 1.0 1.8 5.00 375 274 A 45 PRO HA A 46 VAL H 1.0 1.8 3.49 376 275 A 47 LEU HG A 45 PRO HBy 1.0 1.8 4.69 377 275 A 45 PRO HBx A 47 LEU HG 1.0 1.8 4.69 378 276 A 47 LEU HDy% A 45 PRO HBy 1.0 1.8 5.16 379 277 A 47 LEU HDy% A 45 PRO HBx 1.0 1.8 5.16 380 278 A 47 LEU HDx% A 45 PRO HGy 1.0 1.8 5.48 381 278 A 47 LEU HDx% A 45 PRO HGx 1.0 1.8 5.48 382 279 A 47 LEU HG A 45 PRO HGy 1.0 1.8 5.33 383 279 A 45 PRO HGx A 47 LEU HG 1.0 1.8 5.33 384 280 A 46 VAL HA A 46 VAL HGx% 1.0 1.8 3.73 385 281 A 46 VAL HGy% A 46 VAL HA 1.0 1.8 3.94 386 282 A 46 VAL HA A 47 LEU H 1.0 1.8 3.40 387 283 A 46 VAL HGx% A 47 LEU H 1.0 1.8 4.28 388 284 A 46 VAL HGx% A 48 LEU HBx 1.0 1.8 4.09 389 284 A 46 VAL HGx% A 48 LEU HBy 1.0 1.8 4.09 390 285 A 46 VAL HGx% A 48 LEU HG 1.0 1.8 4.52 391 286 A 46 VAL HGx% A 48 LEU H 1.0 1.8 4.65 392 287 A 46 VAL HGx% A 51 GLU HBx 1.0 1.8 3.92 393 287 A 46 VAL HGx% A 51 GLU HBy 1.0 1.8 3.92 394 288 A 46 VAL HGx% A 51 GLU HGx 1.0 1.8 4.16 395 288 A 46 VAL HGx% A 51 GLU HGy 1.0 1.8 4.16 396 289 A 46 VAL HB A 46 VAL H 1.0 1.8 4.21 397 290 A 46 VAL HGy% A 46 VAL H 1.0 1.8 4.18 398 291 A 47 LEU HDy% A 47 LEU HA 1.0 1.8 3.88 399 292 A 47 LEU HA A 48 LEU H 1.0 1.8 3.75 400 293 A 47 LEU HDy% A 47 LEU HBx 1.0 1.8 4.10 401 293 A 47 LEU HBy A 47 LEU HDy% 1.0 1.8 4.10 402 294 A 47 LEU HBy A 47 LEU HDx% 1.0 1.8 4.41 403 295 A 47 LEU HDx% A 47 LEU HBx 1.0 1.8 4.41 404 296 A 47 LEU HDy% A 47 LEU H 1.0 1.8 5.52 405 297 A 47 LEU HG A 47 LEU H 1.0 1.8 4.61 406 298 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 3.65 407 299 A 48 LEU HA A 49 VAL H 1.0 1.8 3.49 408 300 A 48 LEU HDy% A 48 LEU HBx 1.0 1.8 3.64 409 300 A 48 LEU HBy A 48 LEU HDy% 1.0 1.8 3.64 410 301 A 50 ASP H A 48 LEU HBx 1.0 1.8 5.31 411 301 A 48 LEU HBy A 50 ASP H 1.0 1.8 5.31 412 302 A 48 LEU HBy A 51 GLU HBx 1.0 1.8 4.57 413 302 A 48 LEU HBx A 51 GLU HBx 1.0 1.8 4.57 414 302 A 51 GLU HBy A 48 LEU HBx 1.0 1.8 4.57 415 302 A 48 LEU HBy A 51 GLU HBy 1.0 1.8 4.57 416 303 A 48 LEU HBy A 51 GLU HGx 1.0 1.8 4.09 417 303 A 51 GLU HGy A 48 LEU HBx 1.0 1.8 4.09 418 303 A 48 LEU HBy A 51 GLU HGy 1.0 1.8 4.09 419 303 A 48 LEU HBx A 51 GLU HGx 1.0 1.8 4.09 420 304 A 51 GLU H A 48 LEU HBx 1.0 1.8 5.00 421 304 A 48 LEU HBy A 51 GLU H 1.0 1.8 5.00 422 305 A 48 LEU HBy A 48 LEU HDx% 1.0 1.8 4.10 423 306 A 48 LEU HBy A 49 VAL H 1.0 1.8 5.18 424 307 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 4.10 425 308 A 49 VAL H A 48 LEU HBx 1.0 1.8 5.18 426 309 A 48 LEU HDx% A 51 GLU HGx 1.0 1.8 4.13 427 309 A 51 GLU HGy A 48 LEU HDx% 1.0 1.8 4.13 428 310 A 48 LEU HDy% A 49 VAL H 1.0 1.8 5.03 429 311 A 48 LEU H A 48 LEU HBx 1.0 1.8 3.84 430 311 A 48 LEU HBy A 48 LEU H 1.0 1.8 3.84 431 312 A 49 VAL HGx% A 49 VAL HA 1.0 1.8 3.72 432 313 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 3.83 433 314 A 49 VAL HA A 52 ALA H 1.0 1.8 5.00 434 315 A 50 ASP H A 49 VAL HB 1.0 1.8 4.31 435 316 A 49 VAL HGx% A 50 ASP HA 1.0 1.8 5.28 436 317 A 49 VAL HGx% A 50 ASP H 1.0 1.8 5.09 437 318 A 49 VAL HGy% A 50 ASP H 1.0 1.8 4.87 438 319 A 49 VAL H A 49 VAL HB 1.0 1.8 3.99 439 320 A 49 VAL HGx% A 49 VAL H 1.0 1.8 5.14 440 321 A 49 VAL HGy% A 49 VAL H 1.0 1.8 3.99 441 322 A 49 VAL H A 50 ASP H 1.0 1.8 4.03 442 323 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.77 443 323 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.77 444 324 A 50 ASP H A 51 GLU H 1.0 1.8 4.27 445 325 A 50 ASP H A 52 ALA H 1.0 1.8 5.36 446 326 A 51 GLU HA A 51 GLU HGx 1.0 1.8 3.90 447 326 A 51 GLU HGy A 51 GLU HA 1.0 1.8 3.90 448 327 A 51 GLU H A 51 GLU HBx 1.0 1.8 3.85 449 327 A 51 GLU HBy A 51 GLU H 1.0 1.8 3.85 450 328 A 51 GLU H A 51 GLU HGx 1.0 1.8 4.66 451 328 A 51 GLU HGy A 51 GLU H 1.0 1.8 4.66 452 329 A 51 GLU H A 52 ALA H 1.0 1.8 3.50 453 330 A 53 ARG H A 52 ALA HA 1.0 1.8 3.55 454 331 A 52 ALA HB% A 53 ARG H 1.0 1.8 4.22 455 332 A 53 ARG HA A 54 ARG H 1.0 1.8 3.45 456 333 A 54 ARG H A 53 ARG HGx 1.0 1.8 4.66 457 333 A 54 ARG H A 53 ARG HGy 1.0 1.8 4.66 458 334 A 54 ARG HA A 54 ARG HDx 1.0 1.8 5.02 459 334 A 54 ARG HA A 54 ARG HDy 1.0 1.8 5.02 460 335 A 54 ARG HA A 55 PRO HDx 1.0 1.8 3.50 461 335 A 54 ARG HA A 55 PRO HDy 1.0 1.8 3.50 462 336 A 54 ARG HBx A 54 ARG HDx 1.0 1.8 3.70 463 336 A 54 ARG HDy A 54 ARG HBx 1.0 1.8 3.70 464 336 A 54 ARG HDy A 54 ARG HBy 1.0 1.8 3.70 465 336 A 54 ARG HBy A 54 ARG HDx 1.0 1.8 3.70 466 337 A 54 ARG HBy A 55 PRO HDx 1.0 1.8 4.43 467 337 A 54 ARG HBx A 55 PRO HDx 1.0 1.8 4.43 468 337 A 55 PRO HDy A 54 ARG HBx 1.0 1.8 4.43 469 337 A 55 PRO HDy A 54 ARG HBy 1.0 1.8 4.43 470 338 A 54 ARG H A 54 ARG HBx 1.0 1.8 3.65 471 338 A 54 ARG H A 54 ARG HBy 1.0 1.8 3.65 472 339 A 54 ARG H A 54 ARG HGx 1.0 1.8 4.96 473 339 A 54 ARG HGy A 54 ARG H 1.0 1.8 4.96 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 B 1 ZN ZN A 13 CYS SG 1.0 2.3 2.4 2 2 B 1 ZN ZN A 16 CYS SG 1.0 2.3 2.4 3 3 B 1 ZN ZN A 29 CYS SG 1.0 2.3 2.4 4 4 B 1 ZN ZN A 34 CYS SG 1.0 2.3 2.4 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin disulfide_bond _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 13 CYS SG A 16 CYS SG 1.0 3.6 3.85 2 2 A 13 CYS SG A 29 CYS SG 1.0 3.6 3.85 3 3 A 13 CYS SG A 34 CYS SG 1.0 3.6 3.85 4 4 A 16 CYS SG A 29 CYS SG 1.0 3.6 3.85 5 5 A 16 CYS SG A 34 CYS SG 1.0 3.6 3.85 6 6 A 29 CYS SG A 34 CYS SG 1.0 3.6 3.85 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 21 GLU H A 28 ILE O 1.0 1.7 2.3 2 2 A 28 ILE O A 21 GLU N 1.0 2.7 3.3 3 3 A 23 ARG H A 26 GLU O 1.0 1.7 2.3 4 4 A 26 GLU O A 23 ARG N 1.0 2.7 3.3 5 5 A 26 GLU H A 23 ARG O 1.0 1.7 2.3 6 6 A 23 ARG O A 26 GLU N 1.0 2.7 3.3 7 7 A 27 LEU H A 38 TYR O 1.0 1.7 2.3 8 8 A 38 TYR O A 27 LEU N 1.0 2.7 3.3 9 9 A 28 ILE H A 21 GLU O 1.0 1.7 2.3 10 10 A 21 GLU O A 28 ILE N 1.0 2.7 3.3 11 11 A 29 CYS H A 36 LEU O 1.0 1.7 2.3 12 12 A 36 LEU O A 29 CYS N 1.0 2.7 3.3 13 13 A 30 THR H A 19 PRO O 1.0 1.7 2.3 14 14 A 19 PRO O A 30 THR N 1.0 2.7 3.3 15 15 A 37 ALA H A 53 ARG O 1.0 1.7 2.3 16 16 A 53 ARG O A 37 ALA N 1.0 2.7 3.3 17 17 A 38 TYR H A 27 LEU O 1.0 1.7 2.3 18 18 A 27 LEU O A 38 TYR N 1.0 2.7 3.3 19 19 A 41 ARG H A 44 ILE O 1.0 1.7 2.3 20 20 A 44 ILE O A 41 ARG N 1.0 2.7 3.3 21 21 A 44 ILE H A 41 ARG O 1.0 1.7 2.3 22 22 A 41 ARG O A 44 ILE N 1.0 2.7 3.3 23 23 A 53 ARG H A 37 ALA O 1.0 1.7 2.3 24 24 A 37 ALA O A 53 ARG N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 10 ILE C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -176.8 -36.8 PHI 2 2 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ALA N 1.0 89.9 186.5 PSI 3 3 A 11 LEU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -155.5 -71.3 PHI 4 4 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 CYS N 1.0 97.3 157.3 PSI 5 5 A 12 ALA C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -143.7 -59.3 PHI 6 6 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 LEU N 1.0 119.2 179.2 PSI 7 7 A 19 PRO C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -153.4 -57.6 PHI 8 8 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLU N 1.0 116.2 179.4 PSI 9 9 A 20 LEU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -162.1 -102.1 PHI 10 10 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLU N 1.0 106.7 166.7 PSI 11 11 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -120.7 -60.7 PHI 12 12 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ARG N 1.0 94.6 154.6 PSI 13 13 A 22 GLU C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -179.4 -90.4 PHI 14 14 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ASP N 1.0 103.7 163.7 PSI 15 15 A 25 ALA C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -181.8 -103.2 PHI 16 16 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 LEU N 1.0 125.7 185.7 PSI 17 17 A 26 GLU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -150.0 -90.0 PHI 18 18 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ILE N 1.0 100.1 160.1 PSI 19 19 A 27 LEU C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -146.4 -79.0 PHI 20 20 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 CYS N 1.0 84.0 177.4 PSI 21 21 A 31 GLY C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -91.9 -31.9 PHI 22 22 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ASP N 1.0 -57.5 2.5 PSI 23 23 A 32 GLN C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -126.7 -66.7 PHI 24 24 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 CYS N 1.0 -23.1 41.7 PSI 25 25 A 36 LEU C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -198.6 -58.6 PHI 26 26 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 TYR N 1.0 105.9 165.9 PSI 27 27 A 37 ALA C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -143.0 -57.6 PHI 28 28 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 PRO N 1.0 101.3 173.7 PSI 29 29 A 38 TYR C A 39 PRO N A 39 PRO CA A 39 PRO C 1.0 -104.5 -44.5 PHI 30 30 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 VAL N 1.0 121.9 181.9 PSI 31 31 A 39 PRO C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -127.5 -54.9 PHI 32 32 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ARG N 1.0 96.6 159.4 PSI 33 33 A 40 VAL C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -174.0 -82.8 PHI 34 34 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 ASP N 1.0 95.0 155.0 PSI 35 35 A 42 ASP C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 51.3 111.3 PHI 36 36 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ILE N 1.0 -35.2 30.4 PSI 37 37 A 43 GLY C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -139.3 -69.1 PHI 38 38 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 PRO N 1.0 86.5 166.9 PSI 39 39 A 44 ILE C A 45 PRO N A 45 PRO CA A 45 PRO C 1.0 -95.7 -35.7 PHI 40 40 A 45 PRO N A 45 PRO CA A 45 PRO C A 46 VAL N 1.0 118.9 178.9 PSI 41 41 A 45 PRO C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -166.7 -57.1 PHI 42 42 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 LEU N 1.0 90.8 150.8 PSI 43 43 A 47 LEU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -158.7 -42.3 PHI 44 44 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 VAL N 1.0 117.5 193.7 PSI 45 45 A 48 LEU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -86.7 -26.7 PHI 46 46 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ASP N 1.0 -73.7 -13.7 PSI 47 47 A 49 VAL C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -97.6 -37.6 PHI 48 48 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLU N 1.0 -45.7 14.3 PSI 49 49 A 50 ASP C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -132.0 -72.0 PHI 50 50 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ALA N 1.0 -38.6 33.2 PSI 51 51 A 51 GLU C A 52 ALA N A 52 ALA CA A 52 ALA C 1.0 -166.4 -26.4 PHI 52 52 A 52 ALA N A 52 ALA CA A 52 ALA C A 53 ARG N 1.0 86.7 175.1 PSI 53 53 A 52 ALA C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -160.2 -78.4 PHI 54 54 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 ARG N 1.0 99.8 181.2 PSI 55 55 A 53 ARG C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -110.0 -50.0 PHI 56 56 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 PRO N 1.0 114.9 174.9 PSI 57 57 A 54 ARG C A 55 PRO N A 55 PRO CA A 55 PRO C 1.0 -91.8 -31.8 PHI 58 58 A 55 PRO N A 55 PRO CA A 55 PRO C A 56 GLU N 1.0 93.2 186.2 PSI stop_ save_ save_Nnoesy_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Nnoesy_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 1570.4 2 1H 5698.6 3 1H 9000.9 stop_ save_ save_Cnoesy_aliph_peak_list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cnoesy_aliph_peak_list _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 9689.9 2 1H 14104.4 3 1H 12755.1 stop_ save_ save_4d_d2o_noesy_600.list _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 4d_d2o_noesy_600.list _nef_nmr_spectrum.num_dimensions 4 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3121.3 3 1H 4197.3 4 1H 8000 2 13C 3121.3 stop_ save_