data_nef_c18141_2lmz 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 4 CYS SG 1 11 CYS SG 1 15 CYS SG 1 25 CYS SG 1 26 CYS SG 1 41 CYS SG 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 ILE start . . 2 A 2 PRO middle . false 3 A 3 TYR middle . . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 GLN middle . . 7 A 7 THR middle . . 8 A 8 GLY middle . false 9 A 9 ALA middle . . 10 A 10 GLU middle . . 11 A 11 CYS middle -HG . 12 A 12 TYR middle . . 13 A 13 SER middle . . 14 A 14 TRP middle . . 15 A 15 CYS middle -HG . 16 A 16 ILE middle . . 17 A 17 LYS middle . . 18 A 18 GLN middle . . 19 A 19 ASP middle . . 20 A 20 LEU middle . . 21 A 21 SER middle . . 22 A 22 LYS middle . . 23 A 23 ASP middle . . 24 A 24 TRP middle . . 25 A 25 CYS middle -HG . 26 A 26 CYS middle -HG . 27 A 27 ASP middle . . 28 A 28 PHE middle . . 29 A 29 VAL middle . . 30 A 30 LYS middle . . 31 A 31 ASP middle . . 32 A 32 ILE middle . . 33 A 33 ARG middle . . 34 A 34 MET middle . . 35 A 35 ASN middle . . 36 A 36 PRO middle . false 37 A 37 PRO middle . false 38 A 38 ALA middle . . 39 A 39 ASP middle . . 40 A 40 LYS middle . . 41 A 41 CYS middle -HG . 42 A 42 PRO end . false 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 ILE H1 H 1 8.37 . A 1 ILE HA H 1 4.54 . A 1 ILE HB H 1 1.86 . A 1 ILE HD1% H 1 0.88 . A 1 ILE HG1x H 1 1.21 . A 1 ILE HG1y H 1 1.54 . A 1 ILE HG2% H 1 0.98 . A 1 ILE CA C 13 58.3 . A 1 ILE N N 15 124.6 . A 2 PRO HA H 1 4.37 . A 2 PRO HBy H 1 2.26 . A 2 PRO HBx H 1 1.73 . A 2 PRO HDx H 1 3.73 . A 2 PRO HDy H 1 3.96 . A 2 PRO HGx H 1 2.03 . A 2 PRO HGy H 1 2.08 . A 2 PRO CA C 13 62.8 . A 3 TYR H H 1 8.16 . A 3 TYR HA H 1 4.31 . A 3 TYR HBx H 1 2.76 . A 3 TYR HBy H 1 2.97 . A 3 TYR HDx H 1 7.01 . A 3 TYR HDy H 1 7.01 . A 3 TYR HEx H 1 6.74 . A 3 TYR HEy H 1 6.74 . A 3 TYR N N 15 120.6 . A 4 CYS H H 1 7.70 . A 4 CYS HA H 1 3.33 . A 4 CYS HBx H 1 3.25 . A 4 CYS HBy H 1 3.46 . A 4 CYS CA C 13 53.5 . A 4 CYS N N 15 119.1 . A 5 GLY H H 1 5.93 . A 5 GLY HAx H 1 3.51 . A 5 GLY HAy H 1 4.41 . A 5 GLY CA C 13 43.7 . A 5 GLY N N 15 107.9 . A 6 GLN H H 1 8.71 . A 6 GLN HA H 1 4.42 . A 6 GLN HBx H 1 2.11 . A 6 GLN HBy H 1 2.28 . A 6 GLN HE2x H 1 6.95 . A 6 GLN HE2y H 1 7.76 . A 6 GLN HGx H 1 2.47 . A 6 GLN HGy H 1 2.54 . A 6 GLN CA C 13 56.2 . A 6 GLN N N 15 114.2 . A 6 GLN NE2 N 15 112.8 . A 7 THR H H 1 7.30 . A 7 THR HA H 1 4.78 . A 7 THR HB H 1 4.66 . A 7 THR HG2% H 1 1.23 . A 7 THR CA C 13 58.7 . A 7 THR N N 15 106.6 . A 8 GLY H H 1 9.26 . A 8 GLY HAx H 1 3.51 . A 8 GLY HAy H 1 4.02 . A 8 GLY CA C 13 48.0 . A 8 GLY N N 15 110.4 . A 9 ALA H H 1 8.49 . A 9 ALA HA H 1 4.09 . A 9 ALA HB% H 1 1.53 . A 9 ALA CA C 13 55.6 . A 9 ALA N N 15 123.4 . A 10 GLU H H 1 7.79 . A 10 GLU HA H 1 4.23 . A 10 GLU HBx H 1 2.16 . A 10 GLU HBy H 1 2.16 . A 10 GLU HGx H 1 2.36 . A 10 GLU HGy H 1 2.50 . A 10 GLU CA C 13 59.3 . A 10 GLU N N 15 119.5 . A 11 CYS H H 1 8.46 . A 11 CYS HA H 1 4.85 . A 11 CYS HBx H 1 3.02 . A 11 CYS HBy H 1 3.31 . A 11 CYS N N 15 118.3 . A 12 TYR H H 1 8.86 . A 12 TYR HA H 1 4.02 . A 12 TYR HBx H 1 3.08 . A 12 TYR HBy H 1 3.19 . A 12 TYR HDx H 1 6.94 . A 12 TYR HDy H 1 6.94 . A 12 TYR HEx H 1 6.94 . A 12 TYR HEy H 1 6.94 . A 12 TYR N N 15 121.8 . A 13 SER H H 1 7.91 . A 13 SER HA H 1 4.13 . A 13 SER HBx H 1 3.88 . A 13 SER HBy H 1 3.88 . A 13 SER CA C 13 62.6 . A 13 SER N N 15 114.5 . A 14 TRP H H 1 8.68 . A 14 TRP HA H 1 4.02 . A 14 TRP HBx H 1 3.61 . A 14 TRP HBy H 1 3.73 . A 14 TRP HD1 H 1 7.31 . A 14 TRP HE1 H 1 10.10 . A 14 TRP HE3 H 1 7.49 . A 14 TRP HH2 H 1 7.04 . A 14 TRP HZ2 H 1 7.38 . A 14 TRP HZ3 H 1 6.54 . A 14 TRP N N 15 122.4 . A 14 TRP NE1 N 15 130.6 . A 15 CYS H H 1 8.12 . A 15 CYS HA H 1 3.53 . A 15 CYS HBx H 1 3.26 . A 15 CYS HBy H 1 3.26 . A 15 CYS CA C 13 60.5 . A 15 CYS N N 15 120.5 . A 16 ILE H H 1 8.25 . A 16 ILE HA H 1 3.93 . A 16 ILE HB H 1 1.93 . A 16 ILE HD1% H 1 0.72 . A 16 ILE HG1x H 1 1.18 . A 16 ILE HG1y H 1 1.18 . A 16 ILE HG2% H 1 0.82 . A 16 ILE CA C 13 61.7 . A 16 ILE N N 15 120.3 . A 17 LYS H H 1 7.80 . A 17 LYS HA H 1 4.10 . A 17 LYS HBx H 1 1.82 . A 17 LYS HBy H 1 1.82 . A 17 LYS HDx H 1 1.64 . A 17 LYS HDy H 1 1.64 . A 17 LYS HGx H 1 1.46 . A 17 LYS HGy H 1 1.58 . A 17 LYS CA C 13 58.1 . A 17 LYS N N 15 121.7 . A 18 GLN H H 1 7.24 . A 18 GLN HA H 1 4.03 . A 18 GLN HBx H 1 1.62 . A 18 GLN HBy H 1 1.71 . A 18 GLN HE2x H 1 5.32 . A 18 GLN HE2y H 1 5.91 . A 18 GLN HGx H 1 1.28 . A 18 GLN HGy H 1 2.00 . A 18 GLN N N 15 117.6 . A 18 GLN NE2 N 15 111.8 . A 19 ASP H H 1 8.05 . A 19 ASP HA H 1 4.32 . A 19 ASP HBx H 1 2.64 . A 19 ASP HBy H 1 2.93 . A 19 ASP N N 15 121.8 . A 20 LEU H H 1 6.43 . A 20 LEU HA H 1 4.30 . A 20 LEU HBx H 1 1.56 . A 20 LEU HBy H 1 1.56 . A 20 LEU HD1% H 1 0.51 . A 20 LEU HD2% H 1 0.24 . A 20 LEU HG H 1 1.12 . A 20 LEU N N 15 119.4 . A 21 SER H H 1 8.26 . A 21 SER HA H 1 4.29 . A 21 SER HBx H 1 4.04 . A 21 SER HBy H 1 4.04 . A 21 SER N N 15 115.5 . A 22 LYS H H 1 8.69 . A 22 LYS HA H 1 4.02 . A 22 LYS HBx H 1 1.92 . A 22 LYS HBy H 1 2.03 . A 22 LYS HDx H 1 1.62 . A 22 LYS HDy H 1 1.62 . A 22 LYS HGx H 1 1.82 . A 22 LYS HGy H 1 1.82 . A 22 LYS N N 15 122.7 . A 23 ASP H H 1 8.26 . A 23 ASP HA H 1 4.37 . A 23 ASP HBx H 1 2.60 . A 23 ASP HBy H 1 2.80 . A 23 ASP CA C 13 55.3 . A 23 ASP N N 15 117.0 . A 24 TRP H H 1 7.91 . A 24 TRP HA H 1 4.24 . A 24 TRP HBx H 1 3.34 . A 24 TRP HBy H 1 3.48 . A 24 TRP HD1 H 1 7.15 . A 24 TRP HE1 H 1 10.21 . A 24 TRP HE3 H 1 7.33 . A 24 TRP HH2 H 1 7.04 . A 24 TRP HZ2 H 1 7.50 . A 24 TRP HZ3 H 1 6.84 . A 24 TRP CA C 13 59.3 . A 24 TRP N N 15 122.4 . A 24 TRP NE1 N 15 129.4 . A 25 CYS H H 1 9.11 . A 25 CYS HA H 1 4.89 . A 25 CYS HBx H 1 2.80 . A 25 CYS HBy H 1 2.96 . A 25 CYS N N 15 117.8 . A 26 CYS H H 1 8.94 . A 26 CYS HA H 1 4.53 . A 26 CYS HBx H 1 3.12 . A 26 CYS HBy H 1 3.24 . A 26 CYS CA C 13 58.9 . A 26 CYS N N 15 120.7 . A 27 ASP H H 1 7.40 . A 27 ASP HA H 1 4.33 . A 27 ASP HBx H 1 2.51 . A 27 ASP HBy H 1 2.59 . A 27 ASP CA C 13 57.1 . A 27 ASP N N 15 120.7 . A 28 PHE H H 1 8.59 . A 28 PHE HA H 1 4.07 . A 28 PHE HBx H 1 2.55 . A 28 PHE HBy H 1 3.16 . A 28 PHE HDx H 1 7.28 . A 28 PHE HDy H 1 7.28 . A 28 PHE HEx H 1 7.43 . A 28 PHE HEy H 1 7.43 . A 28 PHE HZ H 1 7.13 . A 28 PHE CA C 13 60.2 . A 28 PHE N N 15 123.1 . A 29 VAL H H 1 7.76 . A 29 VAL HA H 1 3.12 . A 29 VAL HB H 1 2.06 . A 29 VAL HG1% H 1 1.34 . A 29 VAL HG2% H 1 0.75 . A 29 VAL CA C 13 66.1 . A 29 VAL N N 15 116.2 . A 30 LYS H H 1 7.28 . A 30 LYS HA H 1 4.26 . A 30 LYS HBx H 1 1.91 . A 30 LYS HBy H 1 1.91 . A 30 LYS HDx H 1 1.67 . A 30 LYS HDy H 1 1.70 . A 30 LYS HEx H 1 2.85 . A 30 LYS HEy H 1 2.93 . A 30 LYS HGx H 1 1.44 . A 30 LYS HGy H 1 1.44 . A 30 LYS N N 15 117.3 . A 31 ASP H H 1 8.51 . A 31 ASP HA H 1 4.41 . A 31 ASP HBx H 1 2.62 . A 31 ASP HBy H 1 2.80 . A 31 ASP CA C 13 56.8 . A 31 ASP N N 15 122.6 . A 32 ILE H H 1 7.32 . A 32 ILE HA H 1 4.31 . A 32 ILE HB H 1 1.98 . A 32 ILE HD1% H 1 0.46 . A 32 ILE HG1x H 1 0.99 . A 32 ILE HG1y H 1 1.13 . A 32 ILE HG2% H 1 0.59 . A 32 ILE CA C 13 62.8 . A 32 ILE N N 15 112.5 . A 33 ARG H H 1 7.88 . A 33 ARG HA H 1 3.87 . A 33 ARG HBx H 1 1.95 . A 33 ARG HBy H 1 2.15 . A 33 ARG HDx H 1 3.19 . A 33 ARG HDy H 1 3.19 . A 33 ARG HE H 1 7.15 . A 33 ARG HGx H 1 1.52 . A 33 ARG HGy H 1 1.52 . A 33 ARG CA C 13 56.6 . A 33 ARG N N 15 114.2 . A 34 MET H H 1 7.57 . A 34 MET HA H 1 4.64 . A 34 MET HBx H 1 1.61 . A 34 MET HBy H 1 1.61 . A 34 MET HE% H 1 1.78 . A 34 MET HGx H 1 2.28 . A 34 MET HGy H 1 2.38 . A 34 MET CA C 13 54.3 . A 34 MET N N 15 117.1 . A 35 ASN H H 1 8.39 . A 35 ASN HA H 1 5.17 . A 35 ASN HBx H 1 2.69 . A 35 ASN HBy H 1 2.69 . A 35 ASN HD2x H 1 6.98 . A 35 ASN HD2y H 1 7.58 . A 35 ASN CA C 13 50.4 . A 35 ASN N N 15 118.0 . A 35 ASN ND2 N 15 113.5 . A 36 PRO HBx H 1 2.07 . A 36 PRO HBy H 1 2.07 . A 36 PRO HDx H 1 3.89 . A 36 PRO HDy H 1 3.89 . A 36 PRO HGx H 1 2.00 . A 36 PRO HGy H 1 2.00 . A 37 PRO HA H 1 4.32 . A 37 PRO HBx H 1 2.20 . A 37 PRO HBy H 1 2.20 . A 37 PRO HDx H 1 3.02 . A 37 PRO HDy H 1 3.34 . A 37 PRO HGx H 1 1.78 . A 37 PRO HGy H 1 1.78 . A 37 PRO CA C 13 61.2 . A 38 ALA H H 1 8.77 . A 38 ALA HA H 1 3.99 . A 38 ALA HB% H 1 1.40 . A 38 ALA CA C 13 54.4 . A 38 ALA N N 15 114.4 . A 39 ASP H H 1 8.71 . A 39 ASP HA H 1 4.31 . A 39 ASP HBx H 1 2.65 . A 39 ASP HBy H 1 2.65 . A 39 ASP N N 15 112.4 . A 40 LYS H H 1 6.99 . A 40 LYS HA H 1 4.37 . A 40 LYS HBx H 1 1.69 . A 40 LYS HBy H 1 1.69 . A 40 LYS HDx H 1 1.49 . A 40 LYS HDy H 1 1.58 . A 40 LYS HEx H 1 2.96 . A 40 LYS HEy H 1 3.03 . A 40 LYS HGx H 1 1.15 . A 40 LYS HGy H 1 1.27 . A 40 LYS CA C 13 57.0 . A 40 LYS N N 15 117.0 . A 41 CYS H H 1 7.52 . A 41 CYS HA H 1 5.18 . A 41 CYS HBx H 1 2.37 . A 41 CYS HBy H 1 3.14 . A 41 CYS CA C 13 50.9 . A 41 CYS N N 15 121.6 . A 42 PRO HA H 1 4.27 . A 42 PRO HBx H 1 2.23 . A 42 PRO HBy H 1 2.23 . A 42 PRO HDx H 1 3.49 . A 42 PRO HDy H 1 3.63 . A 42 PRO HGx H 1 1.93 . A 42 PRO HGy H 1 1.93 . A 42 PRO CA C 13 64.8 . 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 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 ILE HA A 1 ILE HB 1.0 1.8 4.53 2 2 A 1 ILE HA A 1 ILE HD1% 1.0 1.8 5.43 3 3 A 1 ILE HA A 1 ILE HG1y 1.0 1.8 4.95 4 4 A 1 ILE HA A 1 ILE HG2% 1.0 1.8 3.88 5 5 A 1 ILE HB A 1 ILE HD1% 1.0 1.8 4.57 6 6 A 1 ILE HB A 1 ILE HG2% 1.0 1.8 3.49 7 7 A 1 ILE HG1y A 1 ILE HG1x 1.0 1.8 3.34 8 8 A 1 ILE HD1% A 1 ILE HG1y 1.0 1.8 3.83 9 9 A 1 ILE HG2% A 1 ILE HG1x 1.0 1.8 4.78 10 10 A 1 ILE HG1y A 1 ILE HG2% 1.0 1.8 4.08 11 11 A 2 PRO HA A 2 PRO HBx 1.0 1.8 4.33 12 12 A 2 PRO HA A 2 PRO HBy 1.0 1.8 3.98 13 13 A 2 PRO HA A 2 PRO HGy 1.0 1.8 6.00 14 14 A 2 PRO HA A 2 PRO HGx 1.0 1.8 5.20 15 15 A 2 PRO HBx A 2 PRO HBy 1.0 1.8 3.51 16 16 A 2 PRO HBx A 2 PRO HDy 1.0 1.8 5.43 17 17 A 2 PRO HBy A 2 PRO HDy 1.0 1.8 5.58 18 18 A 2 PRO HGy A 2 PRO HDy 1.0 1.8 4.68 19 19 A 2 PRO HGx A 2 PRO HDy 1.0 1.8 4.60 20 20 A 2 PRO HBy A 2 PRO HDx 1.0 1.8 5.77 21 21 A 2 PRO HDy A 2 PRO HDx 1.0 1.8 3.14 22 22 A 2 PRO HGy A 2 PRO HDx 1.0 1.8 4.41 23 23 A 2 PRO HGx A 2 PRO HDx 1.0 1.8 4.36 24 24 A 2 PRO HBx A 2 PRO HGx 1.0 1.8 4.27 25 25 A 3 TYR HA A 3 TYR HBy 1.0 1.8 4.27 26 26 A 3 TYR HA A 3 TYR HBx 1.0 1.8 3.95 27 27 A 3 TYR HA A 3 TYR HD% 1.0 1.8 3.92 28 28 A 3 TYR HBy A 3 TYR HD% 1.0 1.8 3.77 29 29 A 3 TYR HBy A 3 TYR HBx 1.0 1.8 3.23 30 30 A 3 TYR HBx A 3 TYR HD% 1.0 1.8 3.76 31 31 A 3 TYR HD% A 3 TYR HE% 1.0 1.8 3.16 32 32 A 3 TYR HA A 3 TYR H 1.0 1.8 4.60 33 33 A 3 TYR HBy A 3 TYR H 1.0 1.8 4.06 34 34 A 3 TYR HBx A 3 TYR H 1.0 1.8 4.12 35 35 A 3 TYR HD% A 3 TYR H 1.0 1.8 5.20 36 36 A 4 CYS H A 4 CYS HA 1.0 1.8 4.55 37 37 A 5 GLY HAy A 5 GLY HAx 1.0 1.8 3.55 38 38 A 5 GLY HAy A 5 GLY H 1.0 1.8 5.20 39 39 A 5 GLY HAx A 5 GLY H 1.0 1.8 4.78 40 40 A 6 GLN HA A 6 GLN HBy 1.0 1.8 4.25 41 41 A 6 GLN HA A 6 GLN HBx 1.0 1.8 4.00 42 42 A 6 GLN HA A 6 GLN HGy 1.0 1.8 4.53 43 43 A 6 GLN HA A 6 GLN HGx 1.0 1.8 4.68 44 44 A 6 GLN HBy A 6 GLN HGy 1.0 1.8 4.31 45 45 A 6 GLN HBy A 6 GLN HGx 1.0 1.8 4.38 46 46 A 6 GLN HBy A 6 GLN HBx 1.0 1.8 3.09 47 47 A 6 GLN HBx A 6 GLN HGy 1.0 1.8 3.75 48 48 A 6 GLN HBx A 6 GLN HGx 1.0 1.8 4.23 49 49 A 6 GLN HE2y A 6 GLN HE2x 1.0 1.8 2.90 50 50 A 6 GLN HGy A 6 GLN HE2x 1.0 1.8 5.58 51 51 A 6 GLN HA A 6 GLN H 1.0 1.8 3.74 52 52 A 6 GLN HBy A 6 GLN H 1.0 1.8 4.50 53 53 A 6 GLN HBx A 6 GLN H 1.0 1.8 4.73 54 54 A 6 GLN HGy A 6 GLN H 1.0 1.8 4.78 55 55 A 6 GLN HGx A 6 GLN H 1.0 1.8 5.02 56 56 A 7 THR HA A 7 THR HG2% 1.0 1.8 3.95 57 57 A 7 THR HG2% A 7 THR HB 1.0 1.8 3.22 58 58 A 7 THR HA A 7 THR H 1.0 1.8 4.95 59 59 A 7 THR HB A 7 THR H 1.0 1.8 6.00 60 60 A 7 THR HG2% A 7 THR H 1.0 1.8 4.00 61 61 A 8 GLY HAy A 8 GLY HAx 1.0 1.8 3.54 62 62 A 8 GLY HAy A 8 GLY H 1.0 1.8 5.30 63 63 A 8 GLY HAx A 8 GLY H 1.0 1.8 5.20 64 64 A 9 ALA HA A 9 ALA HB% 1.0 1.8 3.38 65 65 A 9 ALA HA A 9 ALA H 1.0 1.8 3.96 66 66 A 9 ALA HB% A 9 ALA H 1.0 1.8 3.38 67 67 A 10 GLU HA A 10 GLU HBx 1.0 1.8 4.23 68 67 A 10 GLU HA A 10 GLU HBy 1.0 1.8 4.23 69 68 A 10 GLU HA A 10 GLU HGy 1.0 1.8 4.25 70 69 A 10 GLU HA A 10 GLU HGx 1.0 1.8 4.25 71 70 A 10 GLU HGy A 10 GLU HBx 1.0 1.8 3.42 72 70 A 10 GLU HBy A 10 GLU HGy 1.0 1.8 3.42 73 71 A 10 GLU HGx A 10 GLU HBx 1.0 1.8 3.89 74 71 A 10 GLU HBy A 10 GLU HGx 1.0 1.8 3.89 75 72 A 10 GLU HGy A 10 GLU HGx 1.0 1.8 3.19 76 73 A 10 GLU HA A 10 GLU H 1.0 1.8 3.86 77 74 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.66 78 74 A 10 GLU HBy A 10 GLU H 1.0 1.8 3.66 79 75 A 10 GLU HGy A 10 GLU H 1.0 1.8 4.14 80 76 A 10 GLU HGx A 10 GLU H 1.0 1.8 3.65 81 77 A 11 CYS H A 11 CYS HA 1.0 1.8 5.20 82 78 A 11 CYS H A 11 CYS HBy 1.0 1.8 4.33 83 79 A 11 CYS H A 11 CYS HBx 1.0 1.8 4.14 84 80 A 12 TYR HA A 12 TYR HBy 1.0 1.8 4.06 85 81 A 12 TYR HA A 12 TYR HBx 1.0 1.8 4.57 86 82 A 12 TYR HA A 12 TYR HD% 1.0 1.8 3.89 87 83 A 12 TYR HBy A 12 TYR HD% 1.0 1.8 3.76 88 84 A 12 TYR HBy A 12 TYR HBx 1.0 1.8 3.26 89 85 A 12 TYR HBx A 12 TYR HD% 1.0 1.8 3.71 90 86 A 12 TYR HA A 12 TYR H 1.0 1.8 4.19 91 87 A 12 TYR HBy A 12 TYR H 1.0 1.8 3.83 92 88 A 12 TYR HBx A 12 TYR H 1.0 1.8 3.84 93 89 A 13 SER H A 13 SER HA 1.0 1.8 3.47 94 90 A 13 SER H A 13 SER HBx 1.0 1.8 4.47 95 90 A 13 SER H A 13 SER HBy 1.0 1.8 4.47 96 91 A 14 TRP HA A 14 TRP HBy 1.0 1.8 3.89 97 92 A 14 TRP HA A 14 TRP HBx 1.0 1.8 4.95 98 93 A 14 TRP HBy A 14 TRP HD1 1.0 1.8 3.92 99 94 A 14 TRP HBy A 14 TRP HE3 1.0 1.8 4.73 100 95 A 14 TRP HBy A 14 TRP HBx 1.0 1.8 3.26 101 96 A 14 TRP HBx A 14 TRP HD1 1.0 1.8 4.78 102 97 A 14 TRP HBx A 14 TRP HE3 1.0 1.8 4.19 103 98 A 14 TRP HA A 14 TRP H 1.0 1.8 3.60 104 99 A 14 TRP HBy A 14 TRP H 1.0 1.8 3.67 105 100 A 14 TRP HBx A 14 TRP H 1.0 1.8 3.72 106 101 A 15 CYS H A 15 CYS HA 1.0 1.8 3.69 107 102 A 15 CYS H A 15 CYS HBx 1.0 1.8 4.05 108 102 A 15 CYS H A 15 CYS HBy 1.0 1.8 4.05 109 103 A 15 CYS HA A 15 CYS HBx 1.0 1.8 3.23 110 103 A 15 CYS HA A 15 CYS HBy 1.0 1.8 3.23 111 104 A 16 ILE HA A 16 ILE HB 1.0 1.8 4.06 112 105 A 16 ILE HA A 16 ILE HD1% 1.0 1.8 3.44 113 106 A 16 ILE HA A 16 ILE HG2% 1.0 1.8 3.65 114 107 A 16 ILE HA A 16 ILE HG1x 1.0 1.8 4.36 115 107 A 16 ILE HA A 16 ILE HG1y 1.0 1.8 4.36 116 108 A 16 ILE HB A 16 ILE HD1% 1.0 1.8 3.91 117 109 A 16 ILE HB A 16 ILE HG2% 1.0 1.8 3.47 118 110 A 16 ILE HB A 16 ILE HG1x 1.0 1.8 3.69 119 110 A 16 ILE HB A 16 ILE HG1y 1.0 1.8 3.69 120 111 A 16 ILE HG2% A 16 ILE HG1x 1.0 1.8 3.59 121 111 A 16 ILE HG2% A 16 ILE HG1y 1.0 1.8 3.59 122 112 A 16 ILE HA A 16 ILE H 1.0 1.8 3.94 123 113 A 16 ILE HB A 16 ILE H 1.0 1.8 3.53 124 114 A 16 ILE HD1% A 16 ILE H 1.0 1.8 4.38 125 115 A 16 ILE H A 16 ILE HG1x 1.0 1.8 3.38 126 115 A 16 ILE HG1y A 16 ILE H 1.0 1.8 3.38 127 116 A 16 ILE HD1% A 16 ILE HG1x 1.0 1.8 3.24 128 116 A 16 ILE HD1% A 16 ILE HG1y 1.0 1.8 3.24 129 117 A 17 LYS HA A 17 LYS HBx 1.0 1.8 3.71 130 117 A 17 LYS HA A 17 LYS HBy 1.0 1.8 3.71 131 118 A 17 LYS HGy A 17 LYS HBx 1.0 1.8 4.25 132 118 A 17 LYS HBy A 17 LYS HGy 1.0 1.8 4.25 133 119 A 17 LYS HA A 17 LYS H 1.0 1.8 3.85 134 120 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.64 135 120 A 17 LYS HBy A 17 LYS H 1.0 1.8 3.64 136 121 A 17 LYS H A 17 LYS HDx 1.0 1.8 4.95 137 121 A 17 LYS H A 17 LYS HDy 1.0 1.8 4.95 138 122 A 17 LYS HGy A 17 LYS H 1.0 1.8 4.89 139 123 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.41 140 124 A 18 GLN HA A 18 GLN HBy 1.0 1.8 4.17 141 125 A 18 GLN HA A 18 GLN HBx 1.0 1.8 4.38 142 126 A 18 GLN HA A 18 GLN HGy 1.0 1.8 5.20 143 127 A 18 GLN HA A 18 GLN HGx 1.0 1.8 4.08 144 128 A 18 GLN HBy A 18 GLN HGy 1.0 1.8 3.37 145 129 A 18 GLN HBy A 18 GLN HGx 1.0 1.8 4.01 146 130 A 18 GLN HBx A 18 GLN HGx 1.0 1.8 3.38 147 131 A 18 GLN HGy A 18 GLN HGx 1.0 1.8 4.53 148 132 A 18 GLN HA A 18 GLN H 1.0 1.8 4.05 149 133 A 18 GLN HBy A 18 GLN H 1.0 1.8 4.01 150 134 A 18 GLN HBx A 18 GLN H 1.0 1.8 3.89 151 135 A 18 GLN HGy A 18 GLN H 1.0 1.8 4.29 152 136 A 18 GLN HGx A 18 GLN H 1.0 1.8 4.33 153 137 A 19 ASP HA A 19 ASP HBy 1.0 1.8 3.52 154 138 A 19 ASP HA A 19 ASP HBx 1.0 1.8 4.53 155 139 A 19 ASP HBy A 19 ASP HBx 1.0 1.8 3.38 156 140 A 19 ASP HA A 19 ASP H 1.0 1.8 3.15 157 141 A 19 ASP HBy A 19 ASP H 1.0 1.8 4.38 158 142 A 19 ASP HBx A 19 ASP H 1.0 1.8 4.60 159 143 A 20 LEU HA A 20 LEU HBx 1.0 1.8 4.95 160 143 A 20 LEU HA A 20 LEU HBy 1.0 1.8 4.95 161 144 A 20 LEU HA A 20 LEU HD1% 1.0 1.8 4.78 162 145 A 20 LEU HA A 20 LEU HD2% 1.0 1.8 4.01 163 146 A 20 LEU HD1% A 20 LEU HBx 1.0 1.8 3.86 164 146 A 20 LEU HBy A 20 LEU HD1% 1.0 1.8 3.86 165 147 A 20 LEU HD2% A 20 LEU HBx 1.0 1.8 4.31 166 147 A 20 LEU HBy A 20 LEU HD2% 1.0 1.8 4.31 167 148 A 20 LEU HG A 20 LEU HBx 1.0 1.8 3.16 168 148 A 20 LEU HBy A 20 LEU HG 1.0 1.8 3.16 169 149 A 20 LEU HD1% A 20 LEU HD2% 1.0 1.8 3.41 170 150 A 20 LEU HD1% A 20 LEU HG 1.0 1.8 3.52 171 151 A 20 LEU HD2% A 20 LEU HG 1.0 1.8 3.44 172 152 A 20 LEU HA A 20 LEU H 1.0 1.8 4.09 173 153 A 20 LEU H A 20 LEU HBx 1.0 1.8 4.11 174 153 A 20 LEU HBy A 20 LEU H 1.0 1.8 4.11 175 154 A 20 LEU HD1% A 20 LEU H 1.0 1.8 5.02 176 155 A 20 LEU HD2% A 20 LEU H 1.0 1.8 5.20 177 156 A 20 LEU HG A 20 LEU H 1.0 1.8 4.58 178 157 A 20 LEU HA A 20 LEU HG 1.0 1.8 4.17 179 158 A 21 SER HA A 21 SER HBx 1.0 1.8 3.01 180 158 A 21 SER HA A 21 SER HBy 1.0 1.8 3.01 181 159 A 21 SER H A 21 SER HBx 1.0 1.8 3.63 182 159 A 21 SER HBy A 21 SER H 1.0 1.8 3.63 183 160 A 21 SER HA A 21 SER H 1.0 1.8 3.64 184 161 A 22 LYS HA A 22 LYS HBy 1.0 1.8 4.27 185 162 A 22 LYS HA A 22 LYS HBx 1.0 1.8 3.94 186 163 A 22 LYS HA A 22 LYS HDx 1.0 1.8 4.02 187 163 A 22 LYS HA A 22 LYS HDy 1.0 1.8 4.02 188 164 A 22 LYS HA A 22 LYS HGx 1.0 1.8 4.23 189 164 A 22 LYS HA A 22 LYS HGy 1.0 1.8 4.23 190 165 A 22 LYS HDx A 22 LYS HGx 1.0 1.8 3.30 191 165 A 22 LYS HDy A 22 LYS HGx 1.0 1.8 3.30 192 165 A 22 LYS HGy A 22 LYS HDx 1.0 1.8 3.30 193 165 A 22 LYS HDy A 22 LYS HGy 1.0 1.8 3.30 194 166 A 22 LYS HA A 22 LYS H 1.0 1.8 3.71 195 167 A 22 LYS HBy A 22 LYS H 1.0 1.8 3.89 196 168 A 22 LYS HBx A 22 LYS H 1.0 1.8 3.86 197 169 A 22 LYS H A 22 LYS HDx 1.0 1.8 4.68 198 169 A 22 LYS HDy A 22 LYS H 1.0 1.8 4.68 199 170 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.55 200 170 A 22 LYS HGy A 22 LYS H 1.0 1.8 4.55 201 171 A 23 ASP HA A 23 ASP HBy 1.0 1.8 4.19 202 172 A 23 ASP HA A 23 ASP HBx 1.0 1.8 4.36 203 173 A 23 ASP HA A 23 ASP H 1.0 1.8 3.85 204 174 A 23 ASP HBy A 23 ASP H 1.0 1.8 3.71 205 175 A 23 ASP HBx A 23 ASP H 1.0 1.8 4.14 206 176 A 24 TRP HA A 24 TRP HBy 1.0 1.8 4.31 207 177 A 24 TRP HA A 24 TRP HBx 1.0 1.8 4.68 208 178 A 24 TRP HBy A 24 TRP HD1 1.0 1.8 4.58 209 179 A 24 TRP HBy A 24 TRP HE3 1.0 1.8 4.50 210 180 A 24 TRP HBy A 24 TRP HBx 1.0 1.8 3.17 211 181 A 24 TRP HBx A 24 TRP HD1 1.0 1.8 4.38 212 182 A 24 TRP HBx A 24 TRP HE3 1.0 1.8 4.83 213 183 A 24 TRP HA A 24 TRP H 1.0 1.8 3.81 214 184 A 24 TRP HBy A 24 TRP H 1.0 1.8 3.72 215 185 A 24 TRP HBx A 24 TRP H 1.0 1.8 3.82 216 186 A 25 CYS HA A 25 CYS HBy 1.0 1.8 4.50 217 187 A 25 CYS HA A 25 CYS HBx 1.0 1.8 6.00 218 188 A 25 CYS HBy A 25 CYS HBx 1.0 1.8 3.20 219 189 A 25 CYS HA A 25 CYS H 1.0 1.8 4.33 220 190 A 25 CYS HBy A 25 CYS H 1.0 1.8 4.25 221 191 A 25 CYS HBx A 25 CYS H 1.0 1.8 4.10 222 192 A 26 CYS HA A 26 CYS HBy 1.0 1.8 4.25 223 193 A 26 CYS HA A 26 CYS HBx 1.0 1.8 4.17 224 194 A 26 CYS HA A 26 CYS H 1.0 1.8 4.12 225 195 A 26 CYS HBy A 26 CYS H 1.0 1.8 4.11 226 196 A 26 CYS HBx A 26 CYS H 1.0 1.8 3.77 227 197 A 27 ASP HA A 27 ASP HBy 1.0 1.8 3.95 228 198 A 27 ASP HA A 27 ASP HBx 1.0 1.8 4.05 229 199 A 27 ASP HA A 27 ASP H 1.0 1.8 4.05 230 200 A 27 ASP HBy A 27 ASP H 1.0 1.8 4.14 231 201 A 27 ASP HBx A 27 ASP H 1.0 1.8 3.71 232 202 A 28 PHE HA A 28 PHE HBy 1.0 1.8 4.47 233 203 A 28 PHE HA A 28 PHE HBx 1.0 1.8 4.78 234 204 A 28 PHE HA A 28 PHE HD% 1.0 1.8 3.92 235 205 A 28 PHE HBy A 28 PHE HD% 1.0 1.8 4.09 236 206 A 28 PHE HBy A 28 PHE HBx 1.0 1.8 3.77 237 207 A 28 PHE HBx A 28 PHE HD% 1.0 1.8 3.85 238 208 A 28 PHE HA A 28 PHE H 1.0 1.8 4.03 239 209 A 28 PHE HBy A 28 PHE H 1.0 1.8 3.79 240 210 A 28 PHE HBx A 28 PHE H 1.0 1.8 3.79 241 211 A 28 PHE HD% A 28 PHE H 1.0 1.8 4.70 242 212 A 29 VAL HA A 29 VAL HB 1.0 1.8 4.64 243 213 A 29 VAL HA A 29 VAL HG2% 1.0 1.8 4.02 244 214 A 29 VAL HA A 29 VAL HG1% 1.0 1.8 3.78 245 215 A 29 VAL HB A 29 VAL HG2% 1.0 1.8 3.68 246 216 A 29 VAL HB A 29 VAL HG1% 1.0 1.8 3.70 247 217 A 29 VAL HA A 29 VAL H 1.0 1.8 4.27 248 218 A 29 VAL HB A 29 VAL H 1.0 1.8 3.87 249 219 A 29 VAL HG2% A 29 VAL H 1.0 1.8 4.78 250 220 A 29 VAL HG1% A 29 VAL H 1.0 1.8 3.70 251 221 A 29 VAL HG2% A 29 VAL HG1% 1.0 1.8 3.49 252 222 A 30 LYS HA A 30 LYS HBx 1.0 1.8 3.77 253 222 A 30 LYS HA A 30 LYS HBy 1.0 1.8 3.77 254 223 A 30 LYS HA A 30 LYS HDy 1.0 1.8 5.02 255 224 A 30 LYS HA A 30 LYS HDx 1.0 1.8 5.58 256 225 A 30 LYS HA A 30 LYS HGx 1.0 1.8 4.38 257 225 A 30 LYS HA A 30 LYS HGy 1.0 1.8 4.38 258 226 A 30 LYS HBy A 30 LYS HGx 1.0 1.8 4.17 259 226 A 30 LYS HBx A 30 LYS HGx 1.0 1.8 4.17 260 226 A 30 LYS HGy A 30 LYS HBx 1.0 1.8 4.17 261 226 A 30 LYS HBy A 30 LYS HGy 1.0 1.8 4.17 262 227 A 30 LYS HDx A 30 LYS HEx 1.0 1.8 4.38 263 228 A 30 LYS HDx A 30 LYS HEy 1.0 1.8 4.64 264 229 A 30 LYS HEx A 30 LYS HGx 1.0 1.8 4.95 265 229 A 30 LYS HGy A 30 LYS HEx 1.0 1.8 4.95 266 230 A 30 LYS HA A 30 LYS H 1.0 1.8 4.17 267 231 A 30 LYS H A 30 LYS HBx 1.0 1.8 3.75 268 231 A 30 LYS HBy A 30 LYS H 1.0 1.8 3.75 269 232 A 30 LYS HDy A 30 LYS H 1.0 1.8 4.21 270 233 A 30 LYS H A 30 LYS HGx 1.0 1.8 5.10 271 233 A 30 LYS HGy A 30 LYS H 1.0 1.8 5.10 272 234 A 31 ASP HA A 31 ASP HBy 1.0 1.8 4.06 273 235 A 31 ASP HA A 31 ASP HBx 1.0 1.8 4.19 274 236 A 31 ASP HA A 31 ASP H 1.0 1.8 3.88 275 237 A 31 ASP HBy A 31 ASP H 1.0 1.8 4.01 276 238 A 31 ASP HBx A 31 ASP H 1.0 1.8 3.55 277 239 A 32 ILE HA A 32 ILE HB 1.0 1.8 3.67 278 240 A 32 ILE HA A 32 ILE HG2% 1.0 1.8 3.56 279 241 A 32 ILE HB A 32 ILE HD1% 1.0 1.8 3.95 280 242 A 32 ILE HB A 32 ILE HG1x 1.0 1.8 4.36 281 243 A 32 ILE HB A 32 ILE HG1y 1.0 1.8 4.21 282 244 A 32 ILE HB A 32 ILE HG2% 1.0 1.8 3.64 283 245 A 32 ILE HD1% A 32 ILE HG1x 1.0 1.8 3.96 284 246 A 32 ILE HG1x A 32 ILE HG1y 1.0 1.8 3.37 285 247 A 32 ILE HD1% A 32 ILE HG1y 1.0 1.8 3.88 286 248 A 32 ILE HG2% A 32 ILE HD1% 1.0 1.8 3.55 287 249 A 32 ILE HG2% A 32 ILE HG1x 1.0 1.8 4.03 288 250 A 32 ILE HG2% A 32 ILE HG1y 1.0 1.8 4.14 289 251 A 32 ILE HA A 32 ILE H 1.0 1.8 4.41 290 252 A 32 ILE HB A 32 ILE H 1.0 1.8 5.10 291 253 A 32 ILE HD1% A 32 ILE H 1.0 1.8 5.02 292 254 A 32 ILE HG1y A 32 ILE H 1.0 1.8 4.36 293 255 A 32 ILE HG2% A 32 ILE H 1.0 1.8 4.01 294 256 A 32 ILE HG1x A 32 ILE H 1.0 1.8 4.28 295 257 A 32 ILE HA A 32 ILE HG1x 1.0 1.8 4.59 296 258 A 33 ARG HA A 33 ARG HBy 1.0 1.8 3.80 297 259 A 33 ARG HA A 33 ARG HBx 1.0 1.8 4.21 298 260 A 33 ARG HA A 33 ARG HDx 1.0 1.8 6.00 299 260 A 33 ARG HA A 33 ARG HDy 1.0 1.8 6.00 300 261 A 33 ARG HA A 33 ARG HGx 1.0 1.8 4.36 301 261 A 33 ARG HA A 33 ARG HGy 1.0 1.8 4.36 302 262 A 33 ARG HBy A 33 ARG HDx 1.0 1.8 5.58 303 262 A 33 ARG HBy A 33 ARG HDy 1.0 1.8 5.58 304 263 A 33 ARG HBy A 33 ARG HGx 1.0 1.8 3.94 305 263 A 33 ARG HBy A 33 ARG HGy 1.0 1.8 3.94 306 264 A 33 ARG HBx A 33 ARG HDx 1.0 1.8 6.00 307 264 A 33 ARG HBx A 33 ARG HDy 1.0 1.8 6.00 308 265 A 33 ARG HBx A 33 ARG HGx 1.0 1.8 4.19 309 265 A 33 ARG HBx A 33 ARG HGy 1.0 1.8 4.19 310 266 A 33 ARG HDy A 33 ARG HGx 1.0 1.8 4.73 311 266 A 33 ARG HDx A 33 ARG HGx 1.0 1.8 4.73 312 266 A 33 ARG HGy A 33 ARG HDx 1.0 1.8 4.73 313 266 A 33 ARG HDy A 33 ARG HGy 1.0 1.8 4.73 314 267 A 33 ARG HA A 33 ARG H 1.0 1.8 3.50 315 268 A 33 ARG HBy A 33 ARG H 1.0 1.8 4.73 316 269 A 33 ARG HBx A 33 ARG H 1.0 1.8 5.02 317 270 A 33 ARG H A 33 ARG HGx 1.0 1.8 4.50 318 270 A 33 ARG HGy A 33 ARG H 1.0 1.8 4.50 319 271 A 34 MET HA A 34 MET HBx 1.0 1.8 4.21 320 271 A 34 MET HA A 34 MET HBy 1.0 1.8 4.21 321 272 A 34 MET HA A 34 MET HGy 1.0 1.8 4.31 322 273 A 34 MET HA A 34 MET HGx 1.0 1.8 4.01 323 274 A 34 MET HGy A 34 MET HBx 1.0 1.8 4.41 324 274 A 34 MET HBy A 34 MET HGy 1.0 1.8 4.41 325 275 A 34 MET HGx A 34 MET HBx 1.0 1.8 4.36 326 275 A 34 MET HBy A 34 MET HGx 1.0 1.8 4.36 327 276 A 34 MET HGy A 34 MET HGx 1.0 1.8 3.05 328 277 A 34 MET HA A 34 MET H 1.0 1.8 4.21 329 278 A 34 MET H A 34 MET HBx 1.0 1.8 4.01 330 278 A 34 MET HBy A 34 MET H 1.0 1.8 4.01 331 279 A 34 MET HGy A 34 MET H 1.0 1.8 4.53 332 280 A 34 MET HGx A 34 MET H 1.0 1.8 4.95 333 281 A 34 MET HGx A 34 MET HE% 1.0 1.8 4.01 334 282 A 34 MET HGy A 34 MET HE% 1.0 1.8 3.78 335 283 A 35 ASN HA A 35 ASN HBx 1.0 1.8 4.21 336 283 A 35 ASN HA A 35 ASN HBy 1.0 1.8 4.21 337 284 A 35 ASN HD2x A 35 ASN HBx 1.0 1.8 4.73 338 284 A 35 ASN HBy A 35 ASN HD2x 1.0 1.8 4.73 339 285 A 35 ASN HD2y A 35 ASN HBx 1.0 1.8 5.02 340 285 A 35 ASN HBy A 35 ASN HD2y 1.0 1.8 5.02 341 286 A 35 ASN HD2x A 35 ASN HD2y 1.0 1.8 2.94 342 287 A 35 ASN HA A 35 ASN H 1.0 1.8 4.47 343 288 A 35 ASN H A 35 ASN HBx 1.0 1.8 4.08 344 288 A 35 ASN HBy A 35 ASN H 1.0 1.8 4.08 345 289 A 36 PRO HBy A 36 PRO HDx 1.0 1.8 4.06 346 289 A 36 PRO HBx A 36 PRO HDx 1.0 1.8 4.06 347 289 A 36 PRO HDy A 36 PRO HBx 1.0 1.8 4.06 348 289 A 36 PRO HDy A 36 PRO HBy 1.0 1.8 4.06 349 290 A 36 PRO HDy A 36 PRO HGx 1.0 1.8 4.21 350 290 A 36 PRO HDx A 36 PRO HGx 1.0 1.8 4.21 351 290 A 36 PRO HGy A 36 PRO HDx 1.0 1.8 4.21 352 290 A 36 PRO HDy A 36 PRO HGy 1.0 1.8 4.21 353 291 A 37 PRO HA A 37 PRO HBx 1.0 1.8 3.83 354 291 A 37 PRO HA A 37 PRO HBy 1.0 1.8 3.83 355 292 A 37 PRO HA A 37 PRO HGx 1.0 1.8 4.35 356 292 A 37 PRO HA A 37 PRO HGy 1.0 1.8 4.35 357 293 A 37 PRO HBx A 37 PRO HGx 1.0 1.8 3.14 358 293 A 37 PRO HBy A 37 PRO HGx 1.0 1.8 3.14 359 293 A 37 PRO HGy A 37 PRO HBx 1.0 1.8 3.14 360 293 A 37 PRO HBy A 37 PRO HGy 1.0 1.8 3.14 361 294 A 37 PRO HDy A 37 PRO HGx 1.0 1.8 3.87 362 294 A 37 PRO HGy A 37 PRO HDy 1.0 1.8 3.87 363 295 A 37 PRO HDx A 37 PRO HBx 1.0 1.8 5.30 364 295 A 37 PRO HBy A 37 PRO HDx 1.0 1.8 5.30 365 296 A 37 PRO HDy A 37 PRO HDx 1.0 1.8 3.22 366 297 A 37 PRO HDx A 37 PRO HGx 1.0 1.8 3.88 367 297 A 37 PRO HGy A 37 PRO HDx 1.0 1.8 3.88 368 298 A 38 ALA HA A 38 ALA HB% 1.0 1.8 3.37 369 299 A 38 ALA HA A 38 ALA H 1.0 1.8 4.00 370 300 A 38 ALA HB% A 38 ALA H 1.0 1.8 3.41 371 301 A 39 ASP HA A 39 ASP HBx 1.0 1.8 3.42 372 301 A 39 ASP HA A 39 ASP HBy 1.0 1.8 3.42 373 302 A 39 ASP HA A 39 ASP H 1.0 1.8 3.69 374 303 A 39 ASP H A 39 ASP HBx 1.0 1.8 3.98 375 303 A 39 ASP HBy A 39 ASP H 1.0 1.8 3.98 376 304 A 40 LYS HA A 40 LYS HBx 1.0 1.8 4.02 377 304 A 40 LYS HA A 40 LYS HBy 1.0 1.8 4.02 378 305 A 40 LYS HA A 40 LYS HDy 1.0 1.8 4.50 379 306 A 40 LYS HA A 40 LYS HDx 1.0 1.8 4.31 380 307 A 40 LYS HA A 40 LYS HGy 1.0 1.8 5.30 381 308 A 40 LYS HA A 40 LYS HGx 1.0 1.8 4.11 382 309 A 40 LYS HEx A 40 LYS HBx 1.0 1.8 5.10 383 309 A 40 LYS HBy A 40 LYS HEx 1.0 1.8 5.10 384 310 A 40 LYS HEy A 40 LYS HBx 1.0 1.8 4.83 385 310 A 40 LYS HBy A 40 LYS HEy 1.0 1.8 4.83 386 311 A 40 LYS HGy A 40 LYS HBx 1.0 1.8 3.96 387 311 A 40 LYS HBy A 40 LYS HGy 1.0 1.8 3.96 388 312 A 40 LYS HGx A 40 LYS HBx 1.0 1.8 3.22 389 312 A 40 LYS HBy A 40 LYS HGx 1.0 1.8 3.22 390 313 A 40 LYS HDy A 40 LYS HEx 1.0 1.8 4.83 391 314 A 40 LYS HDy A 40 LYS HEy 1.0 1.8 4.57 392 315 A 40 LYS HDx A 40 LYS HEy 1.0 1.8 4.41 393 316 A 40 LYS HGy A 40 LYS HEx 1.0 1.8 5.10 394 317 A 40 LYS HGy A 40 LYS HEy 1.0 1.8 5.30 395 318 A 40 LYS HDy A 40 LYS HGx 1.0 1.8 3.97 396 319 A 40 LYS HA A 40 LYS H 1.0 1.8 4.15 397 320 A 40 LYS H A 40 LYS HBx 1.0 1.8 3.64 398 320 A 40 LYS HBy A 40 LYS H 1.0 1.8 3.64 399 321 A 40 LYS HDx A 40 LYS H 1.0 1.8 5.30 400 322 A 40 LYS HGy A 40 LYS H 1.0 1.8 5.02 401 323 A 41 CYS HA A 41 CYS HBy 1.0 1.8 4.64 402 324 A 41 CYS HA A 41 CYS HBx 1.0 1.8 4.11 403 325 A 41 CYS HBy A 41 CYS HBx 1.0 1.8 3.25 404 326 A 41 CYS HA A 41 CYS H 1.0 1.8 4.09 405 327 A 41 CYS HBy A 41 CYS H 1.0 1.8 3.96 406 328 A 41 CYS HBx A 41 CYS H 1.0 1.8 4.41 407 329 A 42 PRO HA A 42 PRO HBx 1.0 1.8 3.83 408 329 A 42 PRO HA A 42 PRO HBy 1.0 1.8 3.83 409 330 A 42 PRO HBx A 42 PRO HGx 1.0 1.8 3.58 410 330 A 42 PRO HBy A 42 PRO HGx 1.0 1.8 3.58 411 330 A 42 PRO HGy A 42 PRO HBx 1.0 1.8 3.58 412 330 A 42 PRO HBy A 42 PRO HGy 1.0 1.8 3.58 413 331 A 42 PRO HDy A 42 PRO HBx 1.0 1.8 4.64 414 331 A 42 PRO HBy A 42 PRO HDy 1.0 1.8 4.64 415 332 A 42 PRO HDy A 42 PRO HGx 1.0 1.8 3.93 416 332 A 42 PRO HGy A 42 PRO HDy 1.0 1.8 3.93 417 333 A 42 PRO HDx A 42 PRO HBx 1.0 1.8 5.43 418 333 A 42 PRO HBy A 42 PRO HDx 1.0 1.8 5.43 419 334 A 42 PRO HDy A 42 PRO HDx 1.0 1.8 3.04 420 335 A 42 PRO HDx A 42 PRO HGx 1.0 1.8 3.70 421 335 A 42 PRO HGy A 42 PRO HDx 1.0 1.8 3.70 422 336 A 1 ILE HA A 2 PRO HDy 1.0 1.8 3.84 423 337 A 1 ILE HA A 2 PRO HDx 1.0 1.8 3.52 424 338 A 1 ILE HB A 2 PRO HDy 1.0 1.8 4.89 425 339 A 1 ILE HB A 2 PRO HDx 1.0 1.8 5.30 426 340 A 1 ILE HG2% A 2 PRO HDy 1.0 1.8 4.27 427 341 A 1 ILE HG2% A 2 PRO HDx 1.0 1.8 5.58 428 342 A 2 PRO HA A 3 TYR H 1.0 1.8 3.04 429 343 A 2 PRO HBx A 3 TYR H 1.0 1.8 4.95 430 344 A 2 PRO HBy A 3 TYR H 1.0 1.8 5.02 431 345 A 3 TYR HA A 4 CYS H 1.0 1.8 3.37 432 346 A 4 CYS H A 5 GLY H 1.0 1.8 3.98 433 347 A 5 GLY HAx A 6 GLN H 1.0 1.8 4.00 434 348 A 6 GLN HA A 7 THR H 1.0 1.8 4.12 435 349 A 6 GLN HBy A 7 THR HG2% 1.0 1.8 4.29 436 350 A 6 GLN HBy A 7 THR H 1.0 1.8 4.68 437 351 A 6 GLN HBx A 7 THR HG2% 1.0 1.8 4.41 438 352 A 6 GLN HBx A 7 THR H 1.0 1.8 5.43 439 353 A 6 GLN H A 7 THR H 1.0 1.8 3.26 440 354 A 7 THR HA A 8 GLY H 1.0 1.8 4.70 441 355 A 7 THR HB A 8 GLY H 1.0 1.8 4.39 442 356 A 8 GLY HAy A 9 ALA H 1.0 1.8 4.14 443 357 A 8 GLY HAx A 9 ALA H 1.0 1.8 4.39 444 358 A 8 GLY H A 9 ALA H 1.0 1.8 4.70 445 359 A 9 ALA HA A 10 GLU H 1.0 1.8 4.12 446 360 A 9 ALA HB% A 10 GLU H 1.0 1.8 3.77 447 361 A 9 ALA H A 10 GLU H 1.0 1.8 3.94 448 362 A 9 ALA HB% A 10 GLU HGx 1.0 1.8 5.00 449 363 A 10 GLU HA A 11 CYS H 1.0 1.8 4.33 450 364 A 11 CYS H A 10 GLU HBx 1.0 1.8 4.25 451 364 A 10 GLU HBy A 11 CYS H 1.0 1.8 4.25 452 365 A 10 GLU HGy A 11 CYS H 1.0 1.8 4.83 453 366 A 10 GLU HGx A 11 CYS H 1.0 1.8 5.10 454 367 A 10 GLU H A 11 CYS H 1.0 1.8 3.86 455 368 A 11 CYS HBy A 12 TYR H 1.0 1.8 4.57 456 369 A 11 CYS HBx A 12 TYR H 1.0 1.8 5.02 457 370 A 11 CYS H A 12 TYR H 1.0 1.8 3.73 458 371 A 12 TYR HA A 13 SER H 1.0 1.8 4.00 459 372 A 12 TYR HBy A 13 SER H 1.0 1.8 4.50 460 373 A 12 TYR HBx A 13 SER H 1.0 1.8 3.94 461 374 A 12 TYR HD% A 13 SER HA 1.0 1.8 4.53 462 375 A 12 TYR HD% A 13 SER H 1.0 1.8 4.47 463 376 A 12 TYR H A 13 SER H 1.0 1.8 3.61 464 377 A 13 SER HA A 14 TRP H 1.0 1.8 3.58 465 378 A 13 SER H A 14 TRP H 1.0 1.8 3.34 466 379 A 14 TRP HA A 15 CYS H 1.0 1.8 4.57 467 380 A 14 TRP HBy A 15 CYS H 1.0 1.8 4.68 468 381 A 14 TRP HBx A 15 CYS H 1.0 1.8 4.41 469 382 A 14 TRP HE3 A 15 CYS HA 1.0 1.8 3.85 470 383 A 14 TRP HE3 A 15 CYS HBx 1.0 1.8 3.97 471 383 A 14 TRP HE3 A 15 CYS HBy 1.0 1.8 3.97 472 384 A 14 TRP HE3 A 15 CYS H 1.0 1.8 4.29 473 385 A 14 TRP H A 15 CYS H 1.0 1.8 3.64 474 386 A 15 CYS HA A 14 TRP HZ3 1.0 1.8 4.95 475 387 A 14 TRP HZ3 A 15 CYS HBx 1.0 1.8 5.30 476 387 A 15 CYS HBy A 14 TRP HZ3 1.0 1.8 5.30 477 388 A 15 CYS HA A 16 ILE H 1.0 1.8 3.54 478 389 A 16 ILE H A 15 CYS HBx 1.0 1.8 4.78 479 389 A 15 CYS HBy A 16 ILE H 1.0 1.8 4.78 480 390 A 15 CYS H A 16 ILE H 1.0 1.8 3.52 481 391 A 16 ILE HA A 17 LYS H 1.0 1.8 4.70 482 392 A 16 ILE HB A 17 LYS H 1.0 1.8 3.73 483 393 A 16 ILE HG2% A 17 LYS H 1.0 1.8 4.53 484 394 A 16 ILE H A 17 LYS H 1.0 1.8 3.38 485 395 A 17 LYS H A 16 ILE HG1x 1.0 1.8 4.38 486 395 A 16 ILE HG1y A 17 LYS H 1.0 1.8 4.38 487 396 A 17 LYS HA A 18 GLN H 1.0 1.8 3.94 488 397 A 18 GLN H A 17 LYS HBx 1.0 1.8 4.53 489 397 A 17 LYS HBy A 18 GLN H 1.0 1.8 4.53 490 398 A 17 LYS H A 18 GLN H 1.0 1.8 3.42 491 399 A 18 GLN HA A 19 ASP H 1.0 1.8 3.67 492 400 A 18 GLN HBx A 19 ASP H 1.0 1.8 4.60 493 401 A 18 GLN HGx A 19 ASP H 1.0 1.8 4.78 494 402 A 18 GLN H A 19 ASP H 1.0 1.8 3.15 495 403 A 19 ASP HA A 20 LEU H 1.0 1.8 4.06 496 404 A 19 ASP H A 20 LEU H 1.0 1.8 3.36 497 405 A 21 SER H A 20 LEU HBx 1.0 1.8 4.60 498 405 A 20 LEU HBy A 21 SER H 1.0 1.8 4.60 499 406 A 20 LEU HD1% A 21 SER H 1.0 1.8 5.30 500 407 A 20 LEU HD2% A 21 SER H 1.0 1.8 4.36 501 408 A 20 LEU HG A 21 SER H 1.0 1.8 3.89 502 409 A 20 LEU HA A 21 SER H 1.0 1.8 3.69 503 410 A 21 SER HA A 22 LYS H 1.0 1.8 3.14 504 411 A 22 LYS HBx A 23 ASP H 1.0 1.8 4.36 505 412 A 23 ASP H A 22 LYS HDx 1.0 1.8 5.10 506 412 A 22 LYS HDy A 23 ASP H 1.0 1.8 5.10 507 413 A 23 ASP H A 22 LYS HGx 1.0 1.8 4.73 508 413 A 22 LYS HGy A 23 ASP H 1.0 1.8 4.73 509 414 A 22 LYS H A 23 ASP H 1.0 1.8 4.50 510 415 A 22 LYS HBy A 23 ASP H 1.0 1.8 4.34 511 416 A 23 ASP HA A 24 TRP H 1.0 1.8 4.39 512 417 A 23 ASP HBy A 24 TRP H 1.0 1.8 4.19 513 418 A 23 ASP HBx A 24 TRP H 1.0 1.8 4.68 514 419 A 23 ASP H A 24 TRP H 1.0 1.8 3.26 515 420 A 24 TRP HA A 25 CYS H 1.0 1.8 4.33 516 421 A 24 TRP HBy A 25 CYS H 1.0 1.8 4.47 517 422 A 24 TRP HBx A 25 CYS H 1.0 1.8 4.01 518 423 A 24 TRP HE3 A 25 CYS HA 1.0 1.8 5.00 519 424 A 24 TRP HE3 A 25 CYS H 1.0 1.8 4.68 520 425 A 24 TRP H A 25 CYS H 1.0 1.8 3.32 521 426 A 25 CYS HA A 26 CYS H 1.0 1.8 4.52 522 427 A 25 CYS HBy A 26 CYS H 1.0 1.8 4.78 523 428 A 25 CYS HBx A 26 CYS H 1.0 1.8 4.50 524 429 A 25 CYS H A 26 CYS H 1.0 1.8 3.52 525 430 A 26 CYS HA A 27 ASP H 1.0 1.8 4.70 526 431 A 26 CYS HBy A 27 ASP H 1.0 1.8 4.29 527 432 A 26 CYS HBx A 27 ASP H 1.0 1.8 4.05 528 433 A 26 CYS H A 27 ASP H 1.0 1.8 3.45 529 434 A 27 ASP HA A 28 PHE H 1.0 1.8 4.18 530 435 A 27 ASP HBy A 28 PHE H 1.0 1.8 4.21 531 436 A 27 ASP HBx A 28 PHE H 1.0 1.8 4.05 532 437 A 27 ASP H A 28 PHE H 1.0 1.8 3.36 533 438 A 28 PHE HA A 29 VAL H 1.0 1.8 4.60 534 439 A 28 PHE HBy A 29 VAL H 1.0 1.8 5.10 535 440 A 28 PHE HBx A 29 VAL H 1.0 1.8 4.38 536 441 A 28 PHE HD% A 29 VAL HG1% 1.0 1.8 3.63 537 442 A 29 VAL HG1% A 28 PHE HE% 1.0 1.8 4.50 538 443 A 28 PHE H A 29 VAL H 1.0 1.8 3.75 539 444 A 29 VAL HA A 30 LYS H 1.0 1.8 4.44 540 445 A 29 VAL HB A 30 LYS H 1.0 1.8 4.08 541 446 A 29 VAL HG2% A 30 LYS H 1.0 1.8 4.57 542 447 A 29 VAL H A 30 LYS H 1.0 1.8 3.80 543 448 A 30 LYS HA A 31 ASP H 1.0 1.8 4.33 544 449 A 31 ASP H A 30 LYS HBx 1.0 1.8 4.01 545 449 A 30 LYS HBy A 31 ASP H 1.0 1.8 4.01 546 450 A 30 LYS H A 31 ASP H 1.0 1.8 3.69 547 451 A 31 ASP HA A 32 ILE H 1.0 1.8 5.02 548 452 A 31 ASP HBy A 32 ILE H 1.0 1.8 4.95 549 453 A 31 ASP HBx A 32 ILE H 1.0 1.8 5.02 550 454 A 31 ASP H A 32 ILE H 1.0 1.8 3.97 551 455 A 31 ASP HBy A 32 ILE HG2% 1.0 1.8 4.89 552 456 A 32 ILE HA A 33 ARG H 1.0 1.8 4.33 553 457 A 32 ILE H A 33 ARG H 1.0 1.8 3.50 554 458 A 33 ARG H A 34 MET H 1.0 1.8 3.52 555 459 A 33 ARG HA A 34 MET H 1.0 1.8 3.88 556 460 A 34 MET HA A 35 ASN HBx 1.0 1.8 5.50 557 460 A 34 MET HA A 35 ASN HBy 1.0 1.8 5.50 558 461 A 34 MET HGy A 35 ASN H 1.0 1.8 5.70 559 462 A 34 MET H A 35 ASN H 1.0 1.8 5.20 560 463 A 34 MET HA A 35 ASN H 1.0 1.8 3.92 561 464 A 35 ASN H A 34 MET HBx 1.0 1.8 3.95 562 464 A 34 MET HBy A 35 ASN H 1.0 1.8 3.95 563 465 A 34 MET HGx A 35 ASN H 1.0 1.8 5.02 564 466 A 35 ASN HA A 36 PRO HDx 1.0 1.8 3.97 565 466 A 35 ASN HA A 36 PRO HDy 1.0 1.8 3.97 566 467 A 37 PRO HA A 36 PRO HBx 1.0 1.8 4.50 567 467 A 36 PRO HBy A 37 PRO HA 1.0 1.8 4.50 568 468 A 37 PRO HA A 38 ALA H 1.0 1.8 2.77 569 469 A 38 ALA H A 37 PRO HBx 1.0 1.8 4.95 570 469 A 37 PRO HBy A 38 ALA H 1.0 1.8 4.95 571 470 A 38 ALA H A 37 PRO HGx 1.0 1.8 4.83 572 470 A 37 PRO HGy A 38 ALA H 1.0 1.8 4.83 573 471 A 38 ALA HA A 39 ASP H 1.0 1.8 3.67 574 472 A 38 ALA HB% A 39 ASP HA 1.0 1.8 4.53 575 473 A 38 ALA HB% A 39 ASP H 1.0 1.8 4.01 576 474 A 39 ASP H A 40 LYS H 1.0 1.8 3.21 577 475 A 40 LYS HA A 41 CYS H 1.0 1.8 4.14 578 476 A 41 CYS H A 40 LYS HBx 1.0 1.8 5.02 579 476 A 40 LYS HBy A 41 CYS H 1.0 1.8 5.02 580 477 A 40 LYS HGx A 41 CYS H 1.0 1.8 4.71 581 478 A 40 LYS H A 41 CYS H 1.0 1.8 2.95 582 479 A 41 CYS HA A 42 PRO HDy 1.0 1.8 4.06 583 480 A 41 CYS HA A 42 PRO HDx 1.0 1.8 3.88 584 481 A 3 TYR HD% A 5 GLY H 1.0 1.8 5.50 585 482 A 3 TYR HE% A 5 GLY H 1.0 1.8 5.50 586 483 A 5 GLY HAy A 10 GLU HBx 1.0 1.8 4.64 587 483 A 5 GLY HAy A 10 GLU HBy 1.0 1.8 4.64 588 484 A 5 GLY HAy A 10 GLU HGy 1.0 1.8 4.41 589 485 A 5 GLY HAy A 10 GLU HGx 1.0 1.8 4.60 590 486 A 6 GLN H A 10 GLU HBx 1.0 1.8 4.95 591 486 A 6 GLN H A 10 GLU HBy 1.0 1.8 4.95 592 487 A 6 GLN H A 10 GLU HGy 1.0 1.8 5.02 593 488 A 7 THR HA A 9 ALA H 1.0 1.8 5.20 594 489 A 7 THR HB A 9 ALA H 1.0 1.8 3.62 595 490 A 7 THR HG2% A 9 ALA H 1.0 1.8 5.30 596 491 A 7 THR HG2% A 10 GLU HGx 1.0 1.8 5.20 597 492 A 7 THR HG2% A 10 GLU H 1.0 1.8 5.20 598 493 A 7 THR HB A 10 GLU H 1.0 1.8 4.60 599 494 A 7 THR H A 10 GLU H 1.0 1.8 5.00 600 495 A 7 THR H A 10 GLU HBx 1.0 1.8 3.78 601 495 A 7 THR H A 10 GLU HBy 1.0 1.8 3.78 602 496 A 7 THR H A 10 GLU HGy 1.0 1.8 4.41 603 497 A 7 THR H A 10 GLU HGx 1.0 1.8 4.83 604 498 A 7 THR H A 11 CYS H 1.0 1.8 5.09 605 499 A 8 GLY HAx A 11 CYS H 1.0 1.8 4.23 606 500 A 9 ALA HA A 11 CYS H 1.0 1.8 4.74 607 501 A 9 ALA HA A 12 TYR HBy 1.0 1.8 4.44 608 502 A 9 ALA HA A 12 TYR HBx 1.0 1.8 4.31 609 503 A 9 ALA HA A 12 TYR H 1.0 1.8 4.18 610 504 A 10 GLU H A 12 TYR H 1.0 1.8 4.70 611 505 A 10 GLU HA A 13 SER H 1.0 1.8 5.00 612 506 A 11 CYS HA A 14 TRP H 1.0 1.8 5.00 613 507 A 12 TYR HA A 15 CYS HBx 1.0 1.8 5.00 614 507 A 12 TYR HA A 15 CYS HBy 1.0 1.8 5.00 615 508 A 12 TYR HD% A 16 ILE HB 1.0 1.8 5.20 616 509 A 12 TYR HD% A 16 ILE HD1% 1.0 1.8 4.08 617 510 A 12 TYR HD% A 16 ILE HG2% 1.0 1.8 5.00 618 511 A 12 TYR HD% A 16 ILE HG1x 1.0 1.8 3.92 619 511 A 12 TYR HD% A 16 ILE HG1y 1.0 1.8 3.92 620 512 A 13 SER HA A 16 ILE HB 1.0 1.8 4.31 621 513 A 13 SER HA A 16 ILE HD1% 1.0 1.8 4.73 622 514 A 13 SER HA A 16 ILE HG2% 1.0 1.8 4.77 623 515 A 13 SER HA A 16 ILE H 1.0 1.8 4.03 624 516 A 13 SER HA A 16 ILE HG1x 1.0 1.8 4.05 625 516 A 13 SER HA A 16 ILE HG1y 1.0 1.8 4.05 626 517 A 11 CYS HA A 14 TRP HE3 1.0 1.8 5.50 627 518 A 14 TRP HA A 17 LYS H 1.0 1.8 4.39 628 519 A 14 TRP HE1 A 18 GLN HE2x 1.0 1.8 5.05 629 520 A 14 TRP HE1 A 18 GLN HE2y 1.0 1.8 5.05 630 521 A 15 CYS HA A 18 GLN HE2x 1.0 1.8 5.50 631 522 A 16 ILE HA A 18 GLN H 1.0 1.8 4.80 632 523 A 16 ILE HG2% A 19 ASP H 1.0 1.8 5.70 633 524 A 16 ILE HA A 19 ASP H 1.0 1.8 4.60 634 525 A 16 ILE HA A 20 LEU H 1.0 1.8 4.23 635 526 A 16 ILE HD1% A 22 LYS HA 1.0 1.8 3.84 636 527 A 16 ILE HD1% A 22 LYS H 1.0 1.8 4.95 637 528 A 16 ILE HG2% A 22 LYS HA 1.0 1.8 4.68 638 529 A 17 LYS HA A 19 ASP H 1.0 1.8 3.83 639 530 A 19 ASP H A 17 LYS HBx 1.0 1.8 5.96 640 530 A 17 LYS HBy A 19 ASP H 1.0 1.8 5.96 641 531 A 17 LYS HGx A 19 ASP H 1.0 1.8 5.70 642 532 A 17 LYS H A 19 ASP H 1.0 1.8 4.86 643 533 A 18 GLN HBx A 20 LEU HD1% 1.0 1.8 4.29 644 534 A 18 GLN HBx A 20 LEU H 1.0 1.8 5.20 645 535 A 18 GLN HGx A 20 LEU HD1% 1.0 1.8 4.50 646 536 A 18 GLN H A 20 LEU H 1.0 1.8 4.93 647 537 A 18 GLN H A 20 LEU HG 1.0 1.8 5.36 648 538 A 18 GLN HBx A 20 LEU HG 1.0 1.8 4.29 649 539 A 24 TRP HD1 A 20 LEU HBx 1.0 1.8 5.43 650 539 A 20 LEU HBy A 24 TRP HD1 1.0 1.8 5.43 651 540 A 20 LEU HD1% A 24 TRP HD1 1.0 1.8 4.27 652 541 A 20 LEU HD1% A 24 TRP HE1 1.0 1.8 4.68 653 542 A 20 LEU HD1% A 24 TRP HE3 1.0 1.8 4.50 654 543 A 20 LEU HD1% A 24 TRP HH2 1.0 1.8 5.20 655 544 A 20 LEU HD1% A 24 TRP HZ3 1.0 1.8 4.75 656 545 A 20 LEU HD2% A 24 TRP HD1 1.0 1.8 5.02 657 546 A 20 LEU HG A 24 TRP HD1 1.0 1.8 4.88 658 547 A 20 LEU HG A 24 TRP HE3 1.0 1.8 4.88 659 548 A 21 SER HA A 24 TRP H 1.0 1.8 4.50 660 549 A 21 SER H A 24 TRP HBy 1.0 1.8 5.30 661 550 A 21 SER H A 24 TRP HBx 1.0 1.8 4.68 662 551 A 22 LYS HA A 25 CYS H 1.0 1.8 4.03 663 552 A 22 LYS HA A 25 CYS HBy 1.0 1.8 5.33 664 553 A 22 LYS HA A 25 CYS HBx 1.0 1.8 5.33 665 554 A 22 LYS HA A 26 CYS H 1.0 1.8 4.64 666 555 A 23 ASP H A 25 CYS H 1.0 1.8 4.50 667 556 A 23 ASP HA A 26 CYS HBy 1.0 1.8 4.95 668 557 A 23 ASP HA A 26 CYS HBx 1.0 1.8 4.83 669 558 A 23 ASP HA A 26 CYS H 1.0 1.8 4.10 670 559 A 24 TRP HA A 27 ASP HBx 1.0 1.8 4.89 671 560 A 24 TRP HA A 27 ASP H 1.0 1.8 5.58 672 561 A 24 TRP HE3 A 28 PHE H 1.0 1.8 5.24 673 562 A 25 CYS HA A 28 PHE HBy 1.0 1.8 4.89 674 563 A 25 CYS HA A 28 PHE HBx 1.0 1.8 4.50 675 564 A 25 CYS HA A 28 PHE HD% 1.0 1.8 5.02 676 565 A 25 CYS HA A 28 PHE H 1.0 1.8 3.88 677 566 A 25 CYS HA A 29 VAL H 1.0 1.8 4.80 678 567 A 27 ASP HA A 30 LYS H 1.0 1.8 4.57 679 568 A 27 ASP HA A 31 ASP H 1.0 1.8 4.52 680 569 A 28 PHE HA A 31 ASP HBy 1.0 1.8 5.02 681 570 A 28 PHE HA A 31 ASP HBx 1.0 1.8 4.78 682 571 A 28 PHE HA A 31 ASP H 1.0 1.8 4.00 683 572 A 32 ILE HD1% A 28 PHE HE% 1.0 1.8 4.31 684 573 A 32 ILE HG2% A 28 PHE HE% 1.0 1.8 4.27 685 574 A 29 VAL HA A 32 ILE HD1% 1.0 1.8 4.50 686 575 A 29 VAL HA A 32 ILE HG1x 1.0 1.8 4.23 687 576 A 29 VAL HA A 32 ILE HG1y 1.0 1.8 4.36 688 577 A 29 VAL HA A 32 ILE H 1.0 1.8 4.70 689 578 A 29 VAL HG2% A 32 ILE HD1% 1.0 1.8 4.73 690 579 A 29 VAL HG1% A 32 ILE HD1% 1.0 1.8 4.95 691 580 A 29 VAL HG2% A 34 MET H 1.0 1.8 4.83 692 581 A 29 VAL HG2% A 34 MET HBx 1.0 1.8 4.00 693 581 A 29 VAL HG2% A 34 MET HBy 1.0 1.8 4.00 694 582 A 30 LYS HA A 34 MET H 1.0 1.8 4.00 695 583 A 31 ASP H A 33 ARG H 1.0 1.8 4.70 696 584 A 31 ASP HA A 33 ARG H 1.0 1.8 4.70 697 585 A 32 ILE HG1y A 34 MET HGy 1.0 1.8 4.60 698 586 A 32 ILE HD1% A 34 MET HGy 1.0 1.8 4.83 699 587 A 32 ILE HD1% A 34 MET H 1.0 1.8 5.70 700 588 A 32 ILE HG1x A 34 MET H 1.0 1.8 5.24 701 589 A 32 ILE HB A 34 MET HGx 1.0 1.8 4.33 702 590 A 32 ILE HG1y A 34 MET H 1.0 1.8 4.73 703 591 A 39 ASP H A 37 PRO HBx 1.0 1.8 5.50 704 591 A 37 PRO HBy A 39 ASP H 1.0 1.8 5.50 705 592 A 39 ASP H A 37 PRO HGx 1.0 1.8 5.50 706 592 A 37 PRO HGy A 39 ASP H 1.0 1.8 5.50 707 593 A 40 LYS HGy A 37 PRO HGx 1.0 1.8 4.60 708 593 A 37 PRO HGy A 40 LYS HGy 1.0 1.8 4.60 709 594 A 40 LYS HGx A 37 PRO HGx 1.0 1.8 3.93 710 594 A 37 PRO HGy A 40 LYS HGx 1.0 1.8 3.93 711 595 A 40 LYS H A 37 PRO HGx 1.0 1.8 4.36 712 595 A 37 PRO HGy A 40 LYS H 1.0 1.8 4.36 713 596 A 41 CYS H A 37 PRO HGx 1.0 1.8 5.30 714 596 A 37 PRO HGy A 41 CYS H 1.0 1.8 5.30 715 597 A 38 ALA HB% A 40 LYS H 1.0 1.8 5.51 716 598 A 38 ALA HA A 40 LYS H 1.0 1.8 4.80 717 599 A 38 ALA HA A 41 CYS H 1.0 1.8 4.14 718 600 A 39 ASP H A 41 CYS H 1.0 1.8 4.60 719 601 A 6 GLN HA A 34 MET HE% 1.0 1.8 4.53 720 602 A 7 THR H A 34 MET HE% 1.0 1.8 5.30 721 603 A 8 GLY HAy A 29 VAL HG2% 1.0 1.8 5.00 722 604 A 8 GLY HAy A 29 VAL HG1% 1.0 1.8 5.00 723 605 A 8 GLY HAx A 29 VAL HG2% 1.0 1.8 4.69 724 606 A 8 GLY HAx A 29 VAL HG1% 1.0 1.8 4.83 725 607 A 8 GLY HAx A 34 MET HBx 1.0 1.8 4.49 726 607 A 8 GLY HAx A 34 MET HBy 1.0 1.8 4.49 727 608 A 8 GLY H A 34 MET HBx 1.0 1.8 5.19 728 608 A 8 GLY H A 34 MET HBy 1.0 1.8 5.19 729 609 A 8 GLY HAy A 35 ASN H 1.0 1.7 5.51 730 610 A 8 GLY HAx A 35 ASN H 1.0 1.8 5.36 731 611 A 9 ALA H A 29 VAL HG2% 1.0 1.8 5.50 732 612 A 9 ALA H A 34 MET HBx 1.0 1.8 5.36 733 612 A 9 ALA H A 34 MET HBy 1.0 1.8 5.36 734 613 A 9 ALA HA A 37 PRO HDx 1.0 1.8 4.24 735 614 A 11 CYS HBy A 28 PHE HE% 1.0 1.8 4.47 736 615 A 12 TYR HD% A 25 CYS HBy 1.0 1.8 4.33 737 616 A 12 TYR HD% A 25 CYS HBx 1.0 1.8 4.33 738 617 A 12 TYR HA A 25 CYS HBy 1.0 1.8 5.00 739 618 A 12 TYR HD% A 26 CYS HA 1.0 1.8 4.50 740 619 A 12 TYR HBy A 29 VAL HG1% 1.0 1.8 4.25 741 620 A 12 TYR HBx A 29 VAL HG1% 1.0 1.8 4.25 742 621 A 12 TYR HA A 29 VAL HG2% 1.0 1.8 4.67 743 622 A 12 TYR HA A 29 VAL HG1% 1.0 1.8 4.38 744 623 A 12 TYR HD% A 29 VAL HG1% 1.0 1.8 4.05 745 624 A 12 TYR H A 29 VAL HG2% 1.0 1.8 5.20 746 625 A 12 TYR H A 29 VAL HG1% 1.0 1.8 4.27 747 626 A 12 TYR HD% A 37 PRO HGx 1.0 1.8 4.56 748 626 A 12 TYR HD% A 37 PRO HGy 1.0 1.8 4.56 749 627 A 12 TYR HD% A 40 LYS HGx 1.0 1.8 4.46 750 628 A 12 TYR HD% A 40 LYS HBx 1.0 1.8 5.29 751 628 A 12 TYR HD% A 40 LYS HBy 1.0 1.8 5.29 752 629 A 14 TRP HZ3 A 28 PHE HE% 1.0 1.8 4.83 753 630 A 14 TRP HZ3 A 28 PHE HZ 1.0 1.8 4.78 754 631 A 25 CYS HBy A 15 CYS HBx 1.0 1.8 5.58 755 631 A 15 CYS HBy A 25 CYS HBy 1.0 1.8 5.58 756 632 A 15 CYS HA A 25 CYS HBx 1.0 1.8 5.50 757 633 A 15 CYS HA A 28 PHE HD% 1.0 1.8 5.02 758 634 A 15 CYS HA A 28 PHE HE% 1.0 1.8 5.10 759 635 A 28 PHE HD% A 15 CYS HBx 1.0 1.8 4.41 760 635 A 15 CYS HBy A 28 PHE HD% 1.0 1.8 4.41 761 636 A 28 PHE HE% A 15 CYS HBx 1.0 1.8 4.50 762 636 A 15 CYS HBy A 28 PHE HE% 1.0 1.8 4.50 763 637 A 16 ILE HD1% A 25 CYS HBy 1.0 1.8 5.20 764 638 A 16 ILE HD1% A 25 CYS HBx 1.0 1.8 4.60 765 639 A 16 ILE HG2% A 25 CYS H 1.0 1.8 5.30 766 640 A 29 VAL HG2% A 35 ASN H 1.0 1.8 5.10 767 641 A 29 VAL HG2% A 36 PRO HGx 1.0 1.8 5.50 768 641 A 29 VAL HG2% A 36 PRO HGy 1.0 1.8 5.50 769 642 A 29 VAL HG2% A 36 PRO HDx 1.0 1.8 4.44 770 642 A 29 VAL HG2% A 36 PRO HDy 1.0 1.8 4.44 771 643 A 29 VAL HG2% A 37 PRO HDy 1.0 1.8 4.78 772 644 A 29 VAL HG2% A 37 PRO HDx 1.0 1.8 4.83 773 645 A 29 VAL HG1% A 37 PRO HDy 1.0 1.8 4.83 774 646 A 29 VAL HG1% A 37 PRO HDx 1.0 1.8 4.83 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 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 12 TYR H A 8 GLY O 1.0 1.6 2.6 2 2 A 8 GLY O A 12 TYR N 1.0 2.5 3.5 3 3 A 15 CYS H A 11 CYS O 1.0 1.6 2.6 4 4 A 11 CYS O A 15 CYS N 1.0 2.5 3.5 5 5 A 29 VAL H A 25 CYS O 1.0 1.6 2.6 6 6 A 25 CYS O A 29 VAL N 1.0 2.5 3.5 7 7 A 31 ASP H A 27 ASP O 1.0 1.6 2.6 8 8 A 27 ASP O A 31 ASP N 1.0 2.5 3.5 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 7 THR C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -85.1 -43.1 PHI 2 2 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 ALA N 1.0 -67.1 -11.5 PSI 3 3 A 8 GLY C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -85.4 -45.4 PHI 4 4 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 GLU N 1.0 -62.1 -18.7 PSI 5 5 A 9 ALA C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -85.5 -45.5 PHI 6 6 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 CYS N 1.0 -63.1 -23.1 PSI 7 7 A 10 GLU C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -93.1 -44.5 PHI 8 8 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 TYR N 1.0 -66.9 -5.5 PSI 9 9 A 11 CYS C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -79.9 -39.9 PHI 10 10 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 SER N 1.0 -61.9 -21.9 PSI 11 11 A 12 TYR C A 13 SER N A 13 SER CA A 13 SER C 1.0 -84.9 -44.9 PHI 12 12 A 13 SER N A 13 SER CA A 13 SER C A 14 TRP N 1.0 -60.3 -20.3 PSI 13 13 A 13 SER C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -85.3 -45.3 PHI 14 14 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 CYS N 1.0 -60.7 -20.7 PSI 15 15 A 14 TRP C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -81.6 -41.6 PHI 16 16 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ILE N 1.0 -65.1 -11.9 PSI 17 17 A 15 CYS C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -87.1 -47.1 PHI 18 18 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 LYS N 1.0 -57.0 -17.0 PSI 19 19 A 16 ILE C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -85.7 -45.7 PHI 20 20 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLN N 1.0 -57.4 -17.4 PSI 21 21 A 17 LYS C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -104.4 -37.0 PHI 22 22 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 ASP N 1.0 -71.9 34.1 PSI 23 23 A 21 SER C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -87.8 -47.8 PHI 24 24 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ASP N 1.0 -60.3 6.9 PSI 25 25 A 22 LYS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -107.2 -42.0 PHI 26 26 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 TRP N 1.0 -69.9 12.1 PSI 27 27 A 23 ASP C A 24 TRP N A 24 TRP CA A 24 TRP C 1.0 -130.6 -33.8 PHI 28 28 A 24 TRP N A 24 TRP CA A 24 TRP C A 25 CYS N 1.0 -64.6 9.6 PSI 29 29 A 24 TRP C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -126.0 -27.2 PHI 30 30 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 CYS N 1.0 -85.1 39.7 PSI 31 31 A 25 CYS C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -86.5 -44.9 PHI 32 32 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 ASP N 1.0 -66.4 -22.0 PSI 33 33 A 26 CYS C A 27 ASP N A 27 ASP CA A 27 ASP C 1.0 -85.5 -45.5 PHI 34 34 A 27 ASP N A 27 ASP CA A 27 ASP C A 28 PHE N 1.0 -58.9 -18.9 PSI 35 35 A 27 ASP C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -85.8 -45.8 PHI 36 36 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 VAL N 1.0 -63.5 -23.5 PSI 37 37 A 28 PHE C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -84.2 -44.2 PHI 38 38 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 LYS N 1.0 -64.8 -24.8 PSI 39 39 A 29 VAL C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -85.7 -45.7 PHI 40 40 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ASP N 1.0 -61.4 -21.4 PSI 41 41 A 30 LYS C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -81.4 -40.0 PHI 42 42 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ILE N 1.0 -58.9 -18.9 PSI 43 43 A 33 ARG C A 34 MET N A 34 MET CA A 34 MET C 1.0 -170.8 -62.4 PHI 44 44 A 34 MET N A 34 MET CA A 34 MET C A 35 ASN N 1.0 111.2 190.6 PSI 45 45 A 34 MET C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -150.8 -73.2 PHI 46 46 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 PRO N 1.0 45.9 144.5 PSI 47 47 A 36 PRO C A 37 PRO N A 37 PRO CA A 37 PRO C 1.0 -117.4 -23.0 PHI 48 48 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 ALA N 1.0 124.2 164.2 PSI 49 49 A 40 LYS C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -154.2 -83.8 PHI 50 50 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 PRO N 1.0 34.6 144.0 PSI stop_ save_