data_nef_c15559_2jxf 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_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 GLN start . . 2 A 2 THR middle . . 3 A 3 ASN middle . . 4 A 4 TRP middle . . 5 A 5 GLN middle . . 6 A 6 LYS middle . . 7 A 7 LEU middle . . 8 A 8 GLU middle . . 9 A 9 VAL middle . . 10 A 10 PHE middle . . 11 A 11 TRP middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 HIS middle . . 15 A 15 MET middle . . 16 A 16 TRP middle . . 17 A 17 ASN middle . . 18 A 18 PHE middle . . 19 A 19 ILE middle . . 20 A 20 SER middle . . 21 A 21 GLY middle . false 22 A 22 ILE middle . . 23 A 23 GLN middle . . 24 A 24 TYR middle . . 25 A 25 LEU middle . . 26 A 26 ALA middle . . 27 A 27 GLY middle . false 28 A 28 LEU middle . . 29 A 29 SER middle . . 30 A 30 THR end . . 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 GLN H1 H 1 7.80 0.01 A 1 GLN HA H 1 4.41 0.01 A 1 GLN HBx H 1 2.12 0.01 A 1 GLN HBy H 1 2.46 0.01 A 1 GLN HG2 H 1 2.38 0.01 A 1 GLN HG3 H 1 2.38 0.01 A 1 GLN CB C 13 27.68 0.03 A 1 GLN CG C 13 31.68 0.03 A 2 THR H H 1 8.35 0.01 A 2 THR HA H 1 4.40 0.01 A 2 THR HB H 1 4.32 0.01 A 2 THR HG2% H 1 1.22 0.01 A 2 THR CG2 C 13 21.22 0.03 A 3 ASN H H 1 8.72 0.01 A 3 ASN HA H 1 4.59 0.01 A 3 ASN HB2 H 1 2.85 0.01 A 3 ASN HB3 H 1 2.85 0.01 A 3 ASN CB C 13 37.44 0.03 A 4 TRP H H 1 7.79 0.01 A 4 TRP HA H 1 4.54 0.01 A 4 TRP HBx H 1 3.33 0.01 A 4 TRP HBy H 1 3.39 0.01 A 4 TRP HD1 H 1 7.32 0.01 A 4 TRP HE3 H 1 7.57 0.01 A 4 TRP HH2 H 1 7.26 0.01 A 4 TRP HZ2 H 1 7.51 0.01 A 4 TRP HZ3 H 1 7.17 0.01 A 4 TRP CB C 13 28.71 0.03 A 4 TRP CD1 C 13 126.97 0.03 A 4 TRP CE3 C 13 120.72 0.03 A 4 TRP CH2 C 13 124.77 0.03 A 4 TRP CZ2 C 13 114.45 0.03 A 4 TRP CZ3 C 13 122.27 0.03 A 5 GLN H H 1 7.73 0.01 A 5 GLN HA H 1 3.98 0.01 A 5 GLN HBx H 1 1.97 0.01 A 5 GLN HBy H 1 2.15 0.01 A 5 GLN HGx H 1 1.97 0.01 A 5 GLN HGy H 1 2.24 0.01 A 5 GLN CB C 13 28.39 0.03 A 5 GLN CG C 13 34.51 0.03 A 6 LYS H H 1 7.82 0.01 A 6 LYS HA H 1 3.98 0.01 A 6 LYS HBy H 1 1.95 0.01 A 6 LYS HBx H 1 1.88 0.01 A 6 LYS HD2 H 1 1.73 0.01 A 6 LYS HD3 H 1 1.73 0.01 A 6 LYS HE2 H 1 2.95 0.01 A 6 LYS HE3 H 1 2.95 0.01 A 6 LYS HGx H 1 1.39 0.01 A 6 LYS HGy H 1 1.64 0.01 A 6 LYS HZ1 H 1 7.62 0.01 A 6 LYS HZ2 H 1 7.62 0.01 A 6 LYS HZ3 H 1 7.62 0.01 A 6 LYS CB C 13 32.44 0.03 A 6 LYS CD C 13 29.71 0.03 A 6 LYS CE C 13 42.14 0.03 A 6 LYS CG C 13 25.79 0.03 A 7 LEU H H 1 7.82 0.01 A 7 LEU HA H 1 4.19 0.01 A 7 LEU HBx H 1 1.72 0.01 A 7 LEU HBy H 1 1.80 0.01 A 7 LEU HD1% H 1 0.93 0.01 A 7 LEU HD2% H 1 0.88 0.01 A 7 LEU HG H 1 1.72 0.01 A 7 LEU CA C 13 57.96 0.03 A 7 LEU CB C 13 41.81 0.03 A 7 LEU CDy C 13 24.37 0.03 A 7 LEU CDx C 13 23.44 0.03 A 7 LEU CG C 13 26.98 0.03 A 8 GLU H H 1 8.15 0.01 A 8 GLU HA H 1 4.19 0.01 A 8 GLU HBx H 1 2.24 0.01 A 8 GLU HBy H 1 2.32 0.01 A 8 GLU HGx H 1 2.44 0.01 A 8 GLU HGy H 1 2.63 0.01 A 8 GLU CA C 13 59.70 0.03 A 8 GLU CB C 13 27.96 0.03 A 8 GLU CG C 13 33.01 0.03 A 9 VAL H H 1 8.03 0.01 A 9 VAL HA H 1 3.80 0.01 A 9 VAL HB H 1 2.25 0.01 A 9 VAL HG1% H 1 1.16 0.01 A 9 VAL HG2% H 1 1.02 0.01 A 9 VAL CA C 13 66.86 0.03 A 9 VAL CB C 13 34.48 0.03 A 9 VAL CGy C 13 22.22 0.03 A 9 VAL CGx C 13 20.82 0.03 A 10 PHE H H 1 8.29 0.01 A 10 PHE HA H 1 4.25 0.01 A 10 PHE HBx H 1 3.33 0.01 A 10 PHE HBy H 1 3.44 0.01 A 10 PHE HD1 H 1 7.12 0.01 A 10 PHE HD2 H 1 7.12 0.01 A 10 PHE HE1 H 1 7.12 0.01 A 10 PHE HE2 H 1 7.12 0.01 A 10 PHE HZ H 1 7.12 0.01 A 10 PHE CA C 13 61.99 0.01 A 10 PHE CB C 13 39.04 0.03 A 10 PHE CD1 C 13 131.67 0.03 A 10 PHE CD2 C 13 131.67 0.03 A 10 PHE CE1 C 13 131.06 0.03 A 10 PHE CE2 C 13 131.06 0.03 A 10 PHE CZ C 13 129.50 0.03 A 11 TRP H H 1 9.16 0.01 A 11 TRP HA H 1 4.42 0.01 A 11 TRP HBx H 1 3.50 0.01 A 11 TRP HBy H 1 3.58 0.01 A 11 TRP HD1 H 1 7.26 0.01 A 11 TRP HE3 H 1 7.64 0.01 A 11 TRP HH2 H 1 7.21 0.01 A 11 TRP HZ2 H 1 7.48 0.01 A 11 TRP HZ3 H 1 7.06 0.01 A 11 TRP CA C 13 61.31 0.03 A 11 TRP CB C 13 28.94 0.01 A 11 TRP CD1 C 13 126.35 0.01 A 11 TRP CE3 C 13 120.45 0.01 A 11 TRP CH2 C 13 124.41 0.01 A 11 TRP CZ2 C 13 114.41 0.01 A 11 TRP CZ3 C 13 121.63 0.01 A 12 ALA H H 1 8.90 0.01 A 12 ALA HA H 1 3.99 0.01 A 12 ALA HB% H 1 1.66 0.01 A 12 ALA CA C 13 55.87 0.03 A 12 ALA CB C 13 17.62 0.03 A 13 LYS H H 1 8.56 0.01 A 13 LYS HA H 1 4.13 0.01 A 13 LYS HBy H 1 1.95 0.01 A 13 LYS HBx H 1 1.81 0.01 A 13 LYS HD2 H 1 1.67 0.01 A 13 LYS HD3 H 1 1.67 0.01 A 13 LYS HE2 H 1 2.94 0.01 A 13 LYS HE3 H 1 2.94 0.01 A 13 LYS HGx H 1 1.50 0.01 A 13 LYS HGy H 1 1.66 0.01 A 13 LYS HZ1 H 1 7.58 0.01 A 13 LYS HZ2 H 1 7.58 0.01 A 13 LYS HZ3 H 1 7.58 0.01 A 13 LYS CA C 13 58.94 0.03 A 13 LYS CB C 13 32.06 0.03 A 13 LYS CD C 13 28.96 0.03 A 13 LYS CE C 13 42.07 0.03 A 13 LYS CG C 13 25.29 0.03 A 14 HIS H H 1 8.00 0.01 A 14 HIS HA H 1 4.28 0.01 A 14 HIS HBx H 1 3.01 0.01 A 14 HIS HBy H 1 3.21 0.01 A 14 HIS HD2 H 1 6.96 0.01 A 14 HIS HE1 H 1 7.76 0.01 A 14 HIS CA C 13 59.35 0.03 A 14 HIS CB C 13 27.52 0.03 A 14 HIS CD2 C 13 119.80 0.03 A 14 HIS CE1 C 13 135.33 0.03 A 15 MET H H 1 8.45 0.01 A 15 MET HA H 1 4.37 0.01 A 15 MET HBx H 1 1.94 0.01 A 15 MET HBy H 1 1.98 0.01 A 15 MET HE% H 1 1.99 0.01 A 15 MET HGx H 1 2.23 0.01 A 15 MET HGy H 1 2.29 0.01 A 15 MET CB C 13 30.98 0.03 A 15 MET CE C 13 15.77 0.03 A 15 MET CG C 13 31.55 0.03 A 16 TRP H H 1 8.55 0.01 A 16 TRP HA H 1 4.44 0.01 A 16 TRP HBx H 1 3.38 0.01 A 16 TRP HBy H 1 3.42 0.01 A 16 TRP HD1 H 1 7.19 0.01 A 16 TRP HE3 H 1 7.60 0.01 A 16 TRP HH2 H 1 7.22 0.01 A 16 TRP HZ2 H 1 7.47 0.01 A 16 TRP HZ3 H 1 7.12 0.01 A 16 TRP CB C 13 28.88 0.03 A 16 TRP CD1 C 13 126.49 0.03 A 16 TRP CE3 C 13 120.35 0.03 A 16 TRP CH2 C 13 124.41 0.03 A 16 TRP CZ2 C 13 114.37 0.03 A 16 TRP CZ3 C 13 121.78 0.03 A 17 ASN H H 1 8.15 0.01 A 17 ASN HA H 1 4.29 0.01 A 17 ASN HBx H 1 2.77 0.01 A 17 ASN HBy H 1 2.87 0.01 A 17 ASN CA C 13 56.39 0.03 A 17 ASN CB C 13 38.48 0.03 A 18 PHE H H 1 8.04 0.01 A 18 PHE HA H 1 4.36 0.01 A 18 PHE HBx H 1 3.16 0.01 A 18 PHE HBy H 1 3.31 0.01 A 18 PHE HD1 H 1 7.22 0.01 A 18 PHE HD2 H 1 7.22 0.01 A 18 PHE HE1 H 1 7.29 0.01 A 18 PHE HE2 H 1 7.29 0.01 A 18 PHE HZ H 1 7.28 0.01 A 18 PHE CB C 13 39.34 0.03 A 18 PHE CD1 C 13 131.59 0.03 A 18 PHE CD2 C 13 131.59 0.03 A 18 PHE CE1 C 13 131.09 0.03 A 18 PHE CE2 C 13 131.09 0.03 A 18 PHE CZ C 13 129.78 0.03 A 19 ILE H H 1 8.54 0.01 A 19 ILE HA H 1 3.65 0.01 A 19 ILE HB H 1 1.86 0.01 A 19 ILE HD1% H 1 0.88 0.01 A 19 ILE HG1x H 1 1.33 0.01 A 19 ILE HG1y H 1 1.76 0.01 A 19 ILE HG2% H 1 0.90 0.01 A 19 ILE CA C 13 64.28 0.03 A 19 ILE CB C 13 38.02 0.03 A 19 ILE CD1 C 13 12.09 0.03 A 19 ILE CG1 C 13 28.52 0.03 A 19 ILE CG2 C 13 16.85 0.03 A 20 SER H H 1 8.13 0.01 A 20 SER HA H 1 4.04 0.01 A 20 SER HBx H 1 3.45 0.01 A 20 SER HBy H 1 3.73 0.01 A 20 SER CA C 13 61.57 0.03 A 20 SER CB C 13 62.71 0.03 A 21 GLY H H 1 7.71 0.01 A 21 GLY HA2 H 1 3.93 0.01 A 21 GLY HA3 H 1 3.93 0.01 A 21 GLY CA C 13 46.77 0.03 A 22 ILE H H 1 7.78 0.01 A 22 ILE HA H 1 3.84 0.01 A 22 ILE HB H 1 1.91 0.01 A 22 ILE HD1% H 1 0.70 0.01 A 22 ILE HG1x H 1 1.10 0.01 A 22 ILE HG1y H 1 1.37 0.01 A 22 ILE HG2% H 1 0.85 0.01 A 22 ILE CA C 13 64.03 0.03 A 22 ILE CB C 13 37.14 0.03 A 22 ILE CD1 C 13 11.43 0.03 A 22 ILE CG1 C 13 27.84 0.03 A 22 ILE CG2 C 13 16.71 0.03 A 23 GLN H H 1 8.09 0.01 A 23 GLN HA H 1 3.97 0.01 A 23 GLN HBx H 1 2.05 0.01 A 23 GLN HBy H 1 2.16 0.01 A 23 GLN HGx H 1 2.26 0.01 A 23 GLN HGy H 1 2.45 0.01 A 23 GLN CB C 13 28.22 0.03 A 23 GLN CG C 13 33.99 0.03 A 24 TYR H H 1 7.93 0.01 A 24 TYR HA H 1 4.35 0.01 A 24 TYR HBx H 1 3.19 0.01 A 24 TYR HBy H 1 3.25 0.01 A 24 TYR HD1 H 1 7.14 0.01 A 24 TYR HD2 H 1 7.14 0.01 A 24 TYR HE1 H 1 6.83 0.01 A 24 TYR HE2 H 1 6.83 0.01 A 24 TYR CA C 13 60.77 0.03 A 24 TYR CB C 13 38.18 0.03 A 24 TYR CD1 C 13 132.96 0.03 A 24 TYR CD2 C 13 132.96 0.03 A 24 TYR CE1 C 13 118.09 0.03 A 24 TYR CE2 C 13 118.09 0.03 A 25 LEU H H 1 8.17 0.01 A 25 LEU HA H 1 4.03 0.01 A 25 LEU HBx H 1 1.58 0.01 A 25 LEU HBy H 1 1.92 0.01 A 25 LEU HD1% H 1 0.94 0.01 A 25 LEU HD2% H 1 0.94 0.01 A 25 LEU HG H 1 1.91 0.01 A 25 LEU CA C 13 57.53 0.03 A 25 LEU CB C 13 41.90 0.03 A 25 LEU CDy C 13 23.85 0.03 A 25 LEU CDx C 13 22.49 0.03 A 25 LEU CG C 13 26.80 0.03 A 26 ALA H H 1 8.60 0.01 A 26 ALA HA H 1 4.13 0.01 A 26 ALA HB% H 1 1.48 0.01 A 26 ALA CA C 13 54.45 0.03 A 26 ALA CB C 13 17.77 0.03 A 27 GLY H H 1 7.88 0.01 A 27 GLY HA2 H 1 3.96 0.01 A 27 GLY HA3 H 1 3.96 0.01 A 27 GLY CA C 13 45.97 0.03 A 28 LEU H H 1 7.69 0.01 A 28 LEU HA H 1 4.34 0.01 A 28 LEU HBx H 1 1.61 0.01 A 28 LEU HBy H 1 1.79 0.01 A 28 LEU HD1% H 1 0.87 0.01 A 28 LEU HD2% H 1 0.82 0.01 A 28 LEU HG H 1 1.68 0.01 A 28 LEU CA C 13 55.93 0.03 A 28 LEU CB C 13 42.36 0.03 A 28 LEU CDy C 13 24.77 0.03 A 28 LEU CDx C 13 22.45 0.03 A 28 LEU CG C 13 26.49 0.03 A 29 SER H H 1 7.82 0.01 A 29 SER HA H 1 4.57 0.01 A 29 SER HBx H 1 3.96 0.01 A 29 SER HBy H 1 4.00 0.01 A 29 SER CB C 13 64.11 0.03 A 30 THR H H 1 7.74 0.01 A 30 THR HA H 1 4.55 0.01 A 30 THR HB H 1 4.43 0.01 A 30 THR HG2% H 1 1.28 0.01 A 30 THR CG2 C 13 21.27 0.03 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 1 GLN HA A 2 THR H 1.0 1.8 3.1 2 2 A 2 THR H A 1 GLN HBy 1.0 1.8 5.5 3 3 A 2 THR H A 1 GLN HBx 1.0 1.8 5.5 4 4 A 2 THR H A 1 GLN HG2 1.0 1.8 6.6 5 4 A 2 THR H A 1 GLN HG3 1.0 1.8 6.6 6 5 A 1 GLN HA A 3 ASN H 1.0 1.8 5.5 7 6 A 2 THR H A 3 ASN H 1.0 1.8 6.6 8 7 A 3 ASN H A 2 THR HA 1.0 1.8 3.1 9 8 A 3 ASN H A 2 THR HB 1.0 1.8 3.1 10 9 A 3 ASN H A 2 THR HG2% 1.0 1.8 4.3 11 10 A 2 THR HA A 4 TRP H 1.0 1.8 6.6 12 11 A 2 THR HA A 5 GLN HBy 1.0 1.8 6.6 13 12 A 2 THR HA A 5 GLN HGy 1.0 1.8 6.6 14 13 A 2 THR HA A 6 LYS H 1.0 1.8 6.6 15 14 A 3 ASN H A 4 TRP H 1.0 1.8 4.3 16 15 A 4 TRP H A 3 ASN HA 1.0 1.8 3.1 17 16 A 4 TRP H A 3 ASN HB2 1.0 1.8 4.3 18 16 A 4 TRP H A 3 ASN HB3 1.0 1.8 4.3 19 17 A 3 ASN H A 5 GLN H 1.0 1.8 6.6 20 18 A 3 ASN HA A 5 GLN H 1.0 1.8 5.5 21 19 A 6 LYS H A 3 ASN HA 1.0 1.8 3.1 22 20 A 3 ASN HA A 6 LYS HBx 1.0 1.8 4.3 23 21 A 3 ASN HA A 6 LYS HBy 1.0 1.8 5.5 24 22 A 3 ASN HA A 6 LYS HD2 1.0 1.8 5.3 25 22 A 3 ASN HA A 6 LYS HD3 1.0 1.8 5.3 26 23 A 4 TRP H A 5 GLN H 1.0 1.8 3.1 27 24 A 5 GLN H A 4 TRP HA 1.0 1.8 4.3 28 25 A 5 GLN H A 4 TRP HBx 1.0 1.8 4.3 29 26 A 5 GLN H A 4 TRP HBy 1.0 1.8 3.1 30 27 A 4 TRP HA A 7 LEU H 1.0 1.8 3.1 31 28 A 4 TRP HA A 7 LEU HBy 1.0 1.8 4.3 32 29 A 4 TRP HA A 7 LEU HBx 1.0 1.8 3.1 33 30 A 4 TRP HA A 7 LEU HD1% 1.0 1.8 6.3 34 31 A 4 TRP HA A 7 LEU HD2% 1.0 1.8 7.5 35 32 A 4 TRP HA A 8 GLU H 1.0 1.8 5.5 36 33 A 6 LYS H A 5 GLN H 1.0 1.8 3.1 37 34 A 5 GLN HBy A 6 LYS H 1.0 1.8 4.3 38 35 A 6 LYS H A 5 GLN HBx 1.0 1.8 3.1 39 36 A 5 GLN HGy A 6 LYS H 1.0 1.8 5.5 40 37 A 8 GLU H A 5 GLN HA 1.0 1.8 4.3 41 38 A 6 LYS HA A 9 VAL H 1.0 1.8 4.3 42 39 A 6 LYS HA A 9 VAL HB 1.0 1.8 3.1 43 40 A 6 LYS HA A 10 PHE H 1.0 1.8 6.6 44 41 A 7 LEU H A 8 GLU H 1.0 1.8 3.1 45 42 A 7 LEU HBy A 8 GLU H 1.0 1.8 4.3 46 43 A 7 LEU HBx A 8 GLU H 1.0 1.8 4.3 47 44 A 7 LEU HD1% A 8 GLU H 1.0 1.8 7.5 48 45 A 7 LEU H A 9 VAL H 1.0 1.8 5.5 49 46 A 10 PHE H A 7 LEU HA 1.0 1.8 4.3 50 47 A 7 LEU HA A 10 PHE HBy 1.0 1.8 3.1 51 48 A 7 LEU HA A 10 PHE HBx 1.0 1.8 3.1 52 49 A 8 GLU H A 9 VAL H 1.0 1.8 3.1 53 50 A 9 VAL H A 8 GLU HA 1.0 1.8 5.5 54 51 A 9 VAL H A 8 GLU HBy 1.0 1.8 4.3 55 52 A 9 VAL H A 8 GLU HBx 1.0 1.8 3.1 56 53 A 9 VAL H A 8 GLU HGy 1.0 1.8 6.6 57 54 A 9 VAL H A 8 GLU HGx 1.0 1.8 6.6 58 55 A 8 GLU H A 10 PHE H 1.0 1.8 5.5 59 56 A 8 GLU HA A 11 TRP H 1.0 1.8 4.3 60 57 A 8 GLU HA A 11 TRP HBy 1.0 1.8 4.3 61 58 A 8 GLU HA A 11 TRP HBx 1.0 1.8 3.1 62 59 A 8 GLU HA A 12 ALA H 1.0 1.8 6.6 63 60 A 9 VAL H A 10 PHE H 1.0 1.8 3.1 64 61 A 10 PHE H A 9 VAL HA 1.0 1.8 5.5 65 62 A 9 VAL HB A 10 PHE H 1.0 1.8 3.1 66 63 A 10 PHE H A 9 VAL HG1% 1.0 1.8 7.5 67 64 A 10 PHE H A 9 VAL HG2% 1.0 1.8 6.3 68 65 A 9 VAL H A 11 TRP H 1.0 1.8 6.6 69 66 A 11 TRP H A 9 VAL HA 1.0 1.8 6.6 70 67 A 12 ALA H A 9 VAL HA 1.0 1.8 5.5 71 68 A 9 VAL HA A 12 ALA HB% 1.0 1.8 5.1 72 69 A 9 VAL HA A 13 LYS H 1.0 1.8 6.6 73 70 A 10 PHE H A 11 TRP H 1.0 1.8 4.3 74 71 A 11 TRP H A 10 PHE HA 1.0 1.8 5.5 75 72 A 10 PHE HBy A 11 TRP H 1.0 1.8 4.3 76 73 A 10 PHE HBx A 11 TRP H 1.0 1.8 5.5 77 74 A 13 LYS H A 10 PHE HA 1.0 1.8 4.3 78 75 A 10 PHE HA A 13 LYS HBx 1.0 1.8 4.3 79 76 A 10 PHE HA A 13 LYS HBy 1.0 1.8 4.3 80 77 A 10 PHE HA A 13 LYS HGx 1.0 1.8 6.6 81 78 A 10 PHE HA A 14 HIS H 1.0 1.8 5.5 82 79 A 11 TRP H A 12 ALA H 1.0 1.8 4.3 83 80 A 12 ALA H A 11 TRP HA 1.0 1.8 5.5 84 81 A 11 TRP HBy A 12 ALA H 1.0 1.8 4.3 85 82 A 11 TRP HBx A 12 ALA H 1.0 1.8 5.5 86 83 A 11 TRP H A 13 LYS H 1.0 1.8 6.6 87 84 A 13 LYS H A 11 TRP HA 1.0 1.8 5.5 88 85 A 14 HIS H A 11 TRP HA 1.0 1.8 5.5 89 86 A 11 TRP HA A 14 HIS HBy 1.0 1.8 4.3 90 87 A 11 TRP HA A 14 HIS HBx 1.0 1.8 4.3 91 88 A 11 TRP HA A 15 MET H 1.0 1.8 5.5 92 89 A 12 ALA H A 13 LYS H 1.0 1.8 4.3 93 90 A 13 LYS H A 12 ALA HA 1.0 1.8 4.3 94 91 A 12 ALA HB% A 13 LYS H 1.0 1.8 6.3 95 92 A 12 ALA H A 14 HIS H 1.0 1.8 6.6 96 93 A 14 HIS H A 12 ALA HA 1.0 1.8 5.5 97 94 A 15 MET H A 12 ALA HA 1.0 1.8 5.5 98 95 A 12 ALA HA A 15 MET HBy 1.0 1.8 3.1 99 96 A 12 ALA HA A 15 MET HBx 1.0 1.8 3.1 100 97 A 12 ALA HA A 16 TRP H 1.0 1.8 6.6 101 98 A 13 LYS H A 14 HIS H 1.0 1.8 3.1 102 99 A 14 HIS H A 13 LYS HA 1.0 1.8 5.5 103 100 A 13 LYS HBx A 14 HIS H 1.0 1.8 4.3 104 101 A 13 LYS HBy A 14 HIS H 1.0 1.8 5.5 105 102 A 13 LYS HGx A 14 HIS H 1.0 1.8 6.6 106 103 A 15 MET H A 13 LYS HA 1.0 1.8 6.6 107 104 A 16 TRP H A 13 LYS HA 1.0 1.8 4.3 108 105 A 13 LYS HA A 16 TRP HBy 1.0 1.8 4.3 109 106 A 13 LYS HA A 16 TRP HBx 1.0 1.8 4.3 110 107 A 13 LYS HA A 17 ASN H 1.0 1.8 6.6 111 108 A 14 HIS H A 15 MET H 1.0 1.8 3.1 112 109 A 15 MET H A 14 HIS HA 1.0 1.8 5.5 113 110 A 14 HIS HBy A 15 MET H 1.0 1.8 5.5 114 111 A 14 HIS HBx A 15 MET H 1.0 1.8 5.5 115 112 A 16 TRP H A 14 HIS HA 1.0 1.8 6.6 116 113 A 14 HIS HA A 17 ASN HBy 1.0 1.8 3.1 117 114 A 14 HIS HA A 17 ASN HBx 1.0 1.8 3.1 118 115 A 15 MET H A 16 TRP H 1.0 1.8 3.1 119 116 A 16 TRP H A 15 MET HA 1.0 1.8 5.5 120 117 A 15 MET HBy A 16 TRP H 1.0 1.8 5.5 121 118 A 15 MET HBx A 16 TRP H 1.0 1.8 5.5 122 119 A 16 TRP H A 15 MET HGy 1.0 1.8 6.6 123 120 A 16 TRP H A 15 MET HGx 1.0 1.8 6.6 124 121 A 15 MET H A 17 ASN H 1.0 1.8 6.6 125 122 A 17 ASN H A 15 MET HA 1.0 1.8 6.6 126 123 A 15 MET HA A 18 PHE HBy 1.0 1.8 3.1 127 124 A 15 MET HA A 18 PHE HBx 1.0 1.8 3.1 128 125 A 16 TRP H A 17 ASN H 1.0 1.8 3.1 129 126 A 17 ASN H A 16 TRP HA 1.0 1.8 5.5 130 127 A 16 TRP HBy A 17 ASN H 1.0 1.8 5.5 131 128 A 16 TRP HBx A 17 ASN H 1.0 1.8 5.5 132 129 A 16 TRP HA A 18 PHE H 1.0 1.8 6.6 133 130 A 16 TRP HA A 19 ILE HB 1.0 1.8 3.1 134 131 A 16 TRP HA A 19 ILE HG1y 1.0 1.8 5.5 135 132 A 16 TRP HA A 19 ILE HG1x 1.0 1.8 6.6 136 133 A 16 TRP HA A 20 SER H 1.0 1.8 6.6 137 134 A 17 ASN H A 18 PHE H 1.0 1.8 3.1 138 135 A 18 PHE H A 17 ASN HA 1.0 1.8 4.3 139 136 A 17 ASN HBy A 18 PHE H 1.0 1.8 4.3 140 137 A 17 ASN HBx A 18 PHE H 1.0 1.8 5.5 141 138 A 17 ASN HA A 19 ILE H 1.0 1.8 5.5 142 139 A 20 SER H A 17 ASN HA 1.0 1.8 3.1 143 140 A 17 ASN HA A 20 SER HBy 1.0 1.8 4.3 144 141 A 17 ASN HA A 20 SER HBx 1.0 1.8 4.3 145 142 A 17 ASN HA A 21 GLY H 1.0 1.8 5.5 146 143 A 18 PHE H A 19 ILE H 1.0 1.8 3.1 147 144 A 19 ILE H A 18 PHE HA 1.0 1.8 4.3 148 145 A 18 PHE HBy A 19 ILE H 1.0 1.8 4.3 149 146 A 18 PHE HBx A 19 ILE H 1.0 1.8 4.3 150 147 A 20 SER H A 18 PHE HA 1.0 1.8 5.5 151 148 A 21 GLY H A 18 PHE HA 1.0 1.8 5.5 152 149 A 18 PHE HA A 22 ILE H 1.0 1.8 6.6 153 150 A 20 SER H A 19 ILE H 1.0 1.8 3.1 154 151 A 20 SER H A 19 ILE HA 1.0 1.8 5.5 155 152 A 19 ILE HB A 20 SER H 1.0 1.8 3.1 156 153 A 19 ILE HG1y A 20 SER H 1.0 1.8 5.5 157 154 A 19 ILE HG1x A 20 SER H 1.0 1.8 6.6 158 155 A 19 ILE H A 21 GLY H 1.0 1.8 6.6 159 156 A 21 GLY H A 19 ILE HA 1.0 1.8 6.6 160 157 A 22 ILE H A 19 ILE HA 1.0 1.8 4.3 161 158 A 19 ILE HA A 22 ILE HB 1.0 1.8 3.1 162 159 A 19 ILE HA A 22 ILE HG1x 1.0 1.8 5.5 163 160 A 19 ILE HA A 22 ILE HG2% 1.0 1.8 6.3 164 161 A 19 ILE HA A 22 ILE HD1% 1.0 1.8 6.3 165 162 A 19 ILE HA A 23 GLN H 1.0 1.8 5.5 166 163 A 20 SER H A 21 GLY H 1.0 1.8 3.1 167 164 A 21 GLY H A 20 SER HA 1.0 1.8 4.3 168 165 A 20 SER HBy A 21 GLY H 1.0 1.8 5.5 169 166 A 20 SER HBx A 21 GLY H 1.0 1.8 5.5 170 167 A 20 SER H A 22 ILE H 1.0 1.8 5.5 171 168 A 22 ILE H A 20 SER HA 1.0 1.8 5.5 172 169 A 23 GLN H A 20 SER HA 1.0 1.8 4.3 173 170 A 20 SER HA A 23 GLN HBy 1.0 1.8 3.1 174 171 A 20 SER HA A 23 GLN HBx 1.0 1.8 4.3 175 172 A 20 SER HA A 23 GLN HGy 1.0 1.8 5.5 176 173 A 20 SER HA A 23 GLN HGx 1.0 1.8 4.3 177 174 A 20 SER HA A 24 TYR H 1.0 1.8 5.5 178 175 A 22 ILE H A 21 GLY HA2 1.0 1.8 4.1 179 175 A 22 ILE H A 21 GLY HA3 1.0 1.8 4.1 180 176 A 21 GLY H A 23 GLN H 1.0 1.8 5.5 181 177 A 24 TYR H A 21 GLY HA2 1.0 1.8 5.3 182 177 A 24 TYR H A 21 GLY HA3 1.0 1.8 5.3 183 178 A 24 TYR HBy A 21 GLY HA2 1.0 1.8 6.5 184 178 A 21 GLY HA3 A 24 TYR HBy 1.0 1.8 6.5 185 179 A 24 TYR HBx A 21 GLY HA2 1.0 1.8 6.5 186 179 A 21 GLY HA3 A 24 TYR HBx 1.0 1.8 6.5 187 180 A 25 LEU H A 21 GLY HA2 1.0 1.8 6.5 188 180 A 21 GLY HA3 A 25 LEU H 1.0 1.8 6.5 189 181 A 22 ILE H A 23 GLN H 1.0 1.8 3.1 190 182 A 23 GLN H A 22 ILE HA 1.0 1.8 4.3 191 183 A 22 ILE HB A 23 GLN H 1.0 1.8 3.1 192 184 A 23 GLN H A 22 ILE HG1y 1.0 1.8 6.6 193 185 A 22 ILE HG1x A 23 GLN H 1.0 1.8 6.6 194 186 A 22 ILE HG2% A 23 GLN H 1.0 1.8 6.3 195 187 A 22 ILE HD1% A 23 GLN H 1.0 1.8 8.6 196 188 A 22 ILE H A 24 TYR H 1.0 1.8 5.5 197 189 A 24 TYR H A 22 ILE HA 1.0 1.8 5.5 198 190 A 25 LEU H A 22 ILE HA 1.0 1.8 4.3 199 191 A 22 ILE HA A 25 LEU HBx 1.0 1.8 4.3 200 192 A 22 ILE HA A 25 LEU HD1% 1.0 1.8 5.5 201 192 A 22 ILE HA A 25 LEU HD2% 1.0 1.8 5.5 202 193 A 22 ILE HA A 26 ALA H 1.0 1.8 5.5 203 194 A 23 GLN H A 24 TYR H 1.0 1.8 3.1 204 195 A 24 TYR H A 23 GLN HA 1.0 1.8 3.1 205 196 A 23 GLN HBy A 24 TYR H 1.0 1.8 4.3 206 197 A 23 GLN HBx A 24 TYR H 1.0 1.8 5.5 207 198 A 23 GLN HGy A 24 TYR H 1.0 1.8 6.6 208 199 A 23 GLN HGx A 24 TYR H 1.0 1.8 5.5 209 200 A 23 GLN H A 25 LEU H 1.0 1.8 5.5 210 201 A 25 LEU H A 23 GLN HA 1.0 1.8 5.5 211 202 A 26 ALA H A 23 GLN HA 1.0 1.8 4.3 212 203 A 23 GLN HA A 26 ALA HB% 1.0 1.8 5.1 213 204 A 24 TYR H A 25 LEU H 1.0 1.8 3.1 214 205 A 25 LEU H A 24 TYR HA 1.0 1.8 5.5 215 206 A 24 TYR HBx A 25 LEU H 1.0 1.8 4.3 216 207 A 24 TYR HBy A 25 LEU H 1.0 1.8 4.3 217 208 A 24 TYR H A 26 ALA H 1.0 1.8 6.6 218 209 A 26 ALA H A 24 TYR HA 1.0 1.8 6.6 219 210 A 24 TYR HA A 27 GLY H 1.0 1.8 5.5 220 211 A 25 LEU H A 26 ALA H 1.0 1.8 3.1 221 212 A 26 ALA H A 25 LEU HA 1.0 1.8 4.3 222 213 A 26 ALA H A 25 LEU HBy 1.0 1.8 3.1 223 214 A 25 LEU HBx A 26 ALA H 1.0 1.8 4.3 224 215 A 26 ALA H A 25 LEU HD1% 1.0 1.8 8.0 225 215 A 25 LEU HD2% A 26 ALA H 1.0 1.8 8.0 226 216 A 25 LEU H A 27 GLY H 1.0 1.8 6.6 227 217 A 27 GLY H A 25 LEU HA 1.0 1.8 5.5 228 218 A 25 LEU HA A 28 LEU H 1.0 1.8 3.1 229 219 A 26 ALA H A 27 GLY H 1.0 1.8 3.1 230 220 A 27 GLY H A 26 ALA HA 1.0 1.8 4.3 231 221 A 26 ALA HB% A 27 GLY H 1.0 1.8 5.1 232 222 A 26 ALA H A 28 LEU H 1.0 1.8 6.6 233 223 A 28 LEU H A 26 ALA HA 1.0 1.8 6.6 234 224 A 26 ALA HA A 29 SER H 1.0 1.8 5.5 235 225 A 27 GLY H A 28 LEU H 1.0 1.8 3.1 236 226 A 28 LEU H A 27 GLY HA2 1.0 1.8 4.1 237 226 A 28 LEU H A 27 GLY HA3 1.0 1.8 4.1 238 227 A 28 LEU H A 29 SER H 1.0 1.8 3.1 239 228 A 29 SER H A 28 LEU HA 1.0 1.8 3.1 240 229 A 29 SER H A 28 LEU HBy 1.0 1.8 4.3 241 230 A 29 SER H A 28 LEU HBx 1.0 1.8 5.5 242 231 A 29 SER H A 28 LEU HG 1.0 1.8 5.5 243 232 A 29 SER H A 28 LEU HD1% 1.0 1.8 8.6 244 233 A 29 SER H A 28 LEU HD2% 1.0 1.8 8.6 245 234 A 28 LEU HA A 30 THR H 1.0 1.8 6.6 246 235 A 30 THR H A 29 SER HBy 1.0 1.8 5.5 247 236 A 30 THR H A 29 SER HBx 1.0 1.8 4.3 248 237 A 19 ILE HG2% A 23 GLN HE2y 1.0 1.8 7.5 249 238 A 19 ILE HG2% A 23 GLN HE2x 1.0 1.8 6.3 250 239 A 25 LEU HA A 24 TYR HE% 1.0 1.8 7.6 251 240 A 24 TYR HE% A 25 LEU HG 1.0 1.8 7.6 252 241 A 24 TYR HE% A 25 LEU HD1% 1.0 1.8 7.7 253 241 A 25 LEU HD2% A 24 TYR HE% 1.0 1.8 7.7 254 242 A 28 LEU HG A 24 TYR HE% 1.0 1.8 7.6 255 243 A 28 LEU HD1% A 24 TYR HE% 1.0 1.8 6.1 256 244 A 28 LEU HD2% A 24 TYR HE% 1.0 1.8 7.3 257 245 A 15 MET HA A 14 HIS HD2 1.0 1.8 6.6 258 246 A 15 MET HBy A 14 HIS HD2 1.0 1.8 6.6 259 247 A 15 MET HGx A 14 HIS HD2 1.0 1.8 6.6 260 248 A 12 ALA HA A 11 TRP HZ3 1.0 1.8 6.6 261 249 A 11 TRP HA A 10 PHE HD% 1.0 1.8 4.1 262 250 A 7 LEU HA A 10 PHE HD% 1.0 1.8 4.1 263 251 A 7 LEU HBy A 10 PHE HD% 1.0 1.8 6.5 264 252 A 10 PHE HD% A 7 LEU HG 1.0 1.8 6.5 265 253 A 9 VAL HB A 10 PHE HD% 1.0 1.8 7.6 266 254 A 9 VAL HG1% A 10 PHE HD% 1.0 1.8 9.6 267 255 A 9 VAL HG2% A 10 PHE HD% 1.0 1.8 8.5 268 256 A 25 LEU HA A 24 TYR HD% 1.0 1.8 5.3 269 257 A 25 LEU HG A 24 TYR HD% 1.0 1.8 5.3 270 258 A 24 TYR HD% A 25 LEU HD1% 1.0 1.8 6.1 271 258 A 25 LEU HD2% A 24 TYR HD% 1.0 1.8 6.1 272 259 A 28 LEU HG A 24 TYR HD% 1.0 1.8 7.6 273 260 A 28 LEU HD1% A 24 TYR HD% 1.0 1.8 7.3 274 261 A 28 LEU HD2% A 24 TYR HD% 1.0 1.8 8.5 275 262 A 17 ASN HA A 16 TRP HD1 1.0 1.8 5.5 276 263 A 13 LYS HA A 16 TRP HD1 1.0 1.8 5.5 277 264 A 12 ALA HB% A 16 TRP HD1 1.0 1.8 7.5 278 265 A 19 ILE HG2% A 16 TRP HD1 1.0 1.8 6.3 279 266 A 15 MET HE% A 18 PHE HD% 1.0 1.8 6.1 280 267 A 19 ILE HA A 18 PHE HD% 1.0 1.8 6.5 281 268 A 19 ILE HB A 18 PHE HD% 1.0 1.8 7.6 282 269 A 19 ILE HG1y A 18 PHE HD% 1.0 1.8 6.5 283 270 A 19 ILE HG1x A 18 PHE HD% 1.0 1.8 6.5 284 271 A 18 PHE HD% A 19 ILE HD1% 1.0 1.8 6.1 285 272 A 22 ILE HG2% A 18 PHE HD% 1.0 1.8 8.5 286 273 A 22 ILE HD1% A 18 PHE HD% 1.0 1.8 7.3 287 274 A 8 GLU HA A 11 TRP HD1 1.0 1.8 5.5 288 275 A 12 ALA HA A 11 TRP HD1 1.0 1.8 6.6 289 276 A 7 LEU HG A 11 TRP HD1 1.0 1.8 4.3 290 277 A 7 LEU HD1% A 11 TRP HD1 1.0 1.8 6.3 291 278 A 7 LEU HD2% A 11 TRP HD1 1.0 1.8 6.3 292 279 A 15 MET HE% A 18 PHE HE% 1.0 1.8 8.5 293 280 A 22 ILE HG1y A 18 PHE HE% 1.0 1.8 6.5 294 281 A 22 ILE HG2% A 18 PHE HE% 1.0 1.8 8.5 295 282 A 22 ILE HD1% A 18 PHE HE% 1.0 1.8 6.1 296 283 A 2 THR HB A 4 TRP HD1 1.0 1.8 5.5 297 284 A 2 THR HG2% A 4 TRP HD1 1.0 1.8 8.6 298 285 A 7 LEU HD1% A 11 TRP HZ2 1.0 1.8 8.6 299 286 A 7 LEU HD2% A 11 TRP HZ2 1.0 1.8 7.5 300 287 A 15 MET HE% A 11 TRP HZ2 1.0 1.8 6.3 301 288 A 2 THR HG2% A 4 TRP HZ2 1.0 1.8 8.6 302 289 A 2 THR HG2% A 4 TRP HE3 1.0 1.8 8.6 303 290 A 7 LEU HG A 4 TRP HE3 1.0 1.8 5.5 304 291 A 7 LEU HD1% A 4 TRP HE3 1.0 1.8 7.5 305 292 A 7 LEU HD2% A 4 TRP HE3 1.0 1.8 7.5 306 293 A 17 ASN HA A 16 TRP HE3 1.0 1.8 6.6 307 294 A 13 LYS HA A 16 TRP HE3 1.0 1.8 6.6 308 295 A 19 ILE HG2% A 16 TRP HE3 1.0 1.8 6.3 309 296 A 8 GLU HA A 11 TRP HE3 1.0 1.8 6.6 310 297 A 12 ALA HA A 11 TRP HE3 1.0 1.8 4.3 311 298 A 7 LEU HD1% A 11 TRP HE1 1.0 1.8 7.5 312 299 A 7 LEU HD2% A 11 TRP HE1 1.0 1.8 8.6 313 300 A 15 MET HE% A 11 TRP HE1 1.0 1.8 7.5 314 301 A 2 THR HG2% A 4 TRP HE1 1.0 1.8 8.6 stop_ save_