data_nef_c16986_2kxe 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 -2 GLY start . false 2 A -1 SER middle . . 3 A 0 HIS middle . . 4 A 1 MET middle . . 5 A 2 ASP middle . . 6 A 3 GLU middle . . 7 A 4 PHE middle . . 8 A 5 VAL middle . . 9 A 6 LYS middle . . 10 A 7 GLY middle . false 11 A 8 LEU middle . . 12 A 9 MET middle . . 13 A 10 LYS middle . . 14 A 11 ASN middle . . 15 A 12 GLY middle . false 16 A 13 TYR middle . . 17 A 14 LEU middle . . 18 A 15 ILE middle . . 19 A 16 THR middle . . 20 A 17 PRO middle . false 21 A 18 SER middle . . 22 A 19 ALA middle . . 23 A 20 TYR middle . . 24 A 21 TYR middle . . 25 A 22 LEU middle . . 26 A 23 LEU middle . . 27 A 24 VAL middle . . 28 A 25 GLY middle . false 29 A 26 HIS middle . . 30 A 27 PHE middle . . 31 A 28 ASN middle . . 32 A 29 GLU middle . . 33 A 30 GLY middle . false 34 A 31 LYS middle . . 35 A 32 PHE middle . . 36 A 33 SER middle . . 37 A 34 LEU middle . . 38 A 35 ILE middle . . 39 A 36 GLU middle . . 40 A 37 LEU middle . . 41 A 38 ILE middle . . 42 A 39 LYS middle . . 43 A 40 PHE middle . . 44 A 41 ALA middle . . 45 A 42 LYS middle . . 46 A 43 SER middle . . 47 A 44 ARG middle . . 48 A 45 GLU middle . . 49 A 46 THR middle . . 50 A 47 PHE middle . . 51 A 48 ILE middle . . 52 A 49 ILE middle . . 53 A 50 ASP middle . . 54 A 51 ASP middle . . 55 A 52 GLU middle . . 56 A 53 ILE middle . . 57 A 54 ALA middle . . 58 A 55 ASN middle . . 59 A 56 GLU middle . . 60 A 57 PHE middle . . 61 A 58 LEU middle . . 62 A 59 LYS middle . . 63 A 60 SER middle . . 64 A 61 ILE middle . . 65 A 62 GLY middle . false 66 A 63 ALA middle . . 67 A 64 GLU middle . . 68 A 65 VAL middle . . 69 A 66 GLU middle . . 70 A 67 LEU middle . . 71 A 68 PRO middle . false 72 A 69 GLN middle . . 73 A 70 GLU middle . . 74 A 71 ILE middle . . 75 A 72 LYS 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 MET CA C 13 55.9 0.1 A 1 MET CB C 13 33.6 0.1 A 2 ASP H H 1 7.81 0.01 A 2 ASP HA H 1 4.67 0.01 A 2 ASP HBx H 1 2.80 0.01 A 2 ASP HBy H 1 3.13 0.01 A 2 ASP CA C 13 53.5 0.1 A 2 ASP CB C 13 42.4 0.1 A 2 ASP N N 15 119.5 0.1 A 3 GLU H H 1 8.56 0.01 A 3 GLU HA H 1 4.06 0.01 A 3 GLU HB2 H 1 2.22 0.01 A 3 GLU HB3 H 1 2.26 0.01 A 3 GLU HGx H 1 2.50 0.01 A 3 GLU HGy H 1 2.50 0.01 A 3 GLU CA C 13 59.3 0.1 A 3 GLU CB C 13 29.9 0.1 A 3 GLU N N 15 115.9 0.1 A 4 PHE H H 1 8.14 0.01 A 4 PHE HA H 1 4.07 0.01 A 4 PHE HB2 H 1 3.05 0.01 A 4 PHE HB3 H 1 3.32 0.01 A 4 PHE HDx H 1 6.49 0.01 A 4 PHE HDy H 1 6.49 0.01 A 4 PHE HEx H 1 6.84 0.01 A 4 PHE HEy H 1 6.84 0.01 A 4 PHE CA C 13 59.2 0.1 A 4 PHE CB C 13 39.6 0.1 A 4 PHE N N 15 118.3 0.1 A 5 VAL H H 1 8.12 0.01 A 5 VAL HA H 1 3.23 0.01 A 5 VAL HB H 1 1.98 0.01 A 5 VAL HGx% H 1 0.85 0.01 A 5 VAL HGy% H 1 0.93 0.01 A 5 VAL CA C 13 66.9 0.1 A 5 VAL CB C 13 32.1 0.1 A 5 VAL CGx C 13 22.0 0.1 A 5 VAL CGy C 13 24.8 0.1 A 5 VAL N N 15 114.4 0.1 A 6 LYS H H 1 8.50 0.01 A 6 LYS HA H 1 3.91 0.01 A 6 LYS HBx H 1 1.78 0.01 A 6 LYS HBy H 1 1.78 0.01 A 6 LYS HDx H 1 1.64 0.01 A 6 LYS HDy H 1 1.74 0.01 A 6 LYS HEx H 1 2.88 0.01 A 6 LYS HEy H 1 2.88 0.01 A 6 LYS HGx H 1 1.35 0.01 A 6 LYS HGy H 1 1.51 0.01 A 6 LYS CA C 13 60.1 0.1 A 6 LYS CB C 13 32.8 0.1 A 6 LYS N N 15 116.1 0.1 A 7 GLY H H 1 8.08 0.01 A 7 GLY HAx H 1 3.75 0.01 A 7 GLY HAy H 1 3.80 0.01 A 7 GLY CA C 13 47.1 0.1 A 7 GLY N N 15 103.7 0.1 A 8 LEU H H 1 7.66 0.01 A 8 LEU HA H 1 3.95 0.01 A 8 LEU HB2 H 1 1.73 0.01 A 8 LEU HB3 H 1 1.23 0.01 A 8 LEU HD1% H 1 0.13 0.01 A 8 LEU HD2% H 1 0.39 0.01 A 8 LEU HG H 1 1.40 0.01 A 8 LEU CA C 13 58.6 0.1 A 8 LEU CB C 13 41.3 0.1 A 8 LEU CD1 C 13 26.6 0.1 A 8 LEU CD2 C 13 23.0 0.1 A 8 LEU CG C 13 26.0 0.1 A 8 LEU N N 15 119.6 0.1 A 9 MET H H 1 8.48 0.01 A 9 MET HA H 1 4.36 0.01 A 9 MET HBx H 1 2.18 0.01 A 9 MET HBy H 1 2.18 0.01 A 9 MET HE% H 1 2.03 0.01 A 9 MET HGx H 1 2.59 0.01 A 9 MET HGy H 1 2.69 0.01 A 9 MET CA C 13 59.4 0.1 A 9 MET CB C 13 32.5 0.1 A 9 MET N N 15 117.3 0.1 A 10 LYS H H 1 8.47 0.01 A 10 LYS HA H 1 4.11 0.01 A 10 LYS HB2 H 1 2.01 0.01 A 10 LYS HB3 H 1 1.90 0.01 A 10 LYS HEx H 1 2.98 0.01 A 10 LYS HEy H 1 2.98 0.01 A 10 LYS HGx H 1 1.57 0.01 A 10 LYS HGy H 1 1.57 0.01 A 10 LYS CA C 13 58.8 0.1 A 10 LYS CB C 13 32.5 0.1 A 10 LYS N N 15 117.1 0.1 A 11 ASN H H 1 7.36 0.01 A 11 ASN HA H 1 4.84 0.01 A 11 ASN HB2 H 1 2.77 0.01 A 11 ASN HB3 H 1 3.15 0.01 A 11 ASN HD2x H 1 7.23 0.01 A 11 ASN HD2y H 1 7.65 0.01 A 11 ASN CA C 13 54.1 0.1 A 11 ASN CB C 13 42.2 0.1 A 11 ASN N N 15 111.4 0.1 A 11 ASN ND2 N 15 111.6 0.1 A 12 GLY H H 1 7.98 0.01 A 12 GLY HAx H 1 3.57 0.01 A 12 GLY HAy H 1 4.05 0.01 A 12 GLY CA C 13 45.8 0.1 A 12 GLY N N 15 104.1 0.1 A 13 TYR H H 1 7.98 0.01 A 13 TYR HA H 1 4.94 0.01 A 13 TYR HBx H 1 2.57 0.01 A 13 TYR HBy H 1 2.57 0.01 A 13 TYR HDx H 1 6.75 0.01 A 13 TYR HDy H 1 6.75 0.01 A 13 TYR HEx H 1 6.84 0.01 A 13 TYR HEy H 1 6.84 0.01 A 13 TYR CA C 13 58.1 0.1 A 13 TYR CB C 13 41.8 0.1 A 13 TYR N N 15 115.5 0.1 A 14 LEU H H 1 8.40 0.01 A 14 LEU HA H 1 4.62 0.01 A 14 LEU HB2 H 1 1.52 0.01 A 14 LEU HB3 H 1 1.45 0.01 A 14 LEU HDx% H 1 0.71 0.01 A 14 LEU HDy% H 1 0.76 0.01 A 14 LEU HG H 1 1.55 0.01 A 14 LEU CA C 13 52.9 0.1 A 14 LEU CB C 13 45.3 0.1 A 14 LEU N N 15 116.7 0.1 A 15 ILE H H 1 8.00 0.01 A 15 ILE HA H 1 5.36 0.01 A 15 ILE HB H 1 1.44 0.01 A 15 ILE HD1% H 1 0.72 0.01 A 15 ILE HG1x H 1 1.54 0.01 A 15 ILE HG1y H 1 1.93 0.01 A 15 ILE HG2% H 1 0.82 0.01 A 15 ILE CA C 13 58.1 0.1 A 15 ILE CB C 13 42.5 0.1 A 15 ILE CD1 C 13 16.3 0.1 A 15 ILE CG2 C 13 15.7 0.1 A 15 ILE N N 15 116.2 0.1 A 16 THR H H 1 8.09 0.01 A 16 THR HA H 1 4.69 0.01 A 16 THR HB H 1 4.79 0.01 A 16 THR HG2% H 1 1.29 0.01 A 16 THR CA C 13 59.8 0.1 A 16 THR CB C 13 68.1 0.1 A 16 THR CG2 C 13 22.6 0.1 A 16 THR N N 15 114.3 0.1 A 17 PRO HA H 1 4.16 0.01 A 17 PRO HBx H 1 2.12 0.01 A 17 PRO HBy H 1 2.37 0.01 A 17 PRO HDx H 1 3.86 0.01 A 17 PRO HDy H 1 3.99 0.01 A 17 PRO HGx H 1 2.19 0.01 A 17 PRO HGy H 1 2.19 0.01 A 17 PRO CA C 13 66.1 0.1 A 18 SER H H 1 8.12 0.01 A 18 SER HA H 1 4.33 0.01 A 18 SER HBx H 1 3.93 0.01 A 18 SER HBy H 1 3.93 0.01 A 18 SER CA C 13 61.3 0.1 A 18 SER N N 15 105.8 0.1 A 19 ALA H H 1 7.41 0.01 A 19 ALA HA H 1 3.95 0.01 A 19 ALA HB% H 1 1.29 0.01 A 19 ALA CA C 13 55.1 0.1 A 19 ALA CB C 13 19.3 0.1 A 19 ALA N N 15 122.5 0.1 A 20 TYR H H 1 8.55 0.01 A 20 TYR HA H 1 4.00 0.01 A 20 TYR HB2 H 1 2.76 0.01 A 20 TYR HB3 H 1 3.30 0.01 A 20 TYR HDx H 1 6.46 0.01 A 20 TYR HDy H 1 6.46 0.01 A 20 TYR HEx H 1 6.89 0.01 A 20 TYR HEy H 1 6.89 0.01 A 20 TYR CA C 13 62.5 0.1 A 20 TYR CB C 13 38.1 0.1 A 20 TYR N N 15 116.2 0.1 A 21 TYR H H 1 7.97 0.01 A 21 TYR HA H 1 4.08 0.01 A 21 TYR HB2 H 1 2.99 0.01 A 21 TYR HB3 H 1 3.20 0.01 A 21 TYR HDx H 1 7.27 0.01 A 21 TYR HDy H 1 7.27 0.01 A 21 TYR HEx H 1 6.91 0.01 A 21 TYR HEy H 1 6.91 0.01 A 21 TYR CA C 13 61.8 0.1 A 21 TYR CB C 13 38.2 0.1 A 21 TYR N N 15 113.5 0.1 A 22 LEU H H 1 7.61 0.01 A 22 LEU HA H 1 4.25 0.01 A 22 LEU HB2 H 1 1.99 0.01 A 22 LEU HB3 H 1 1.46 0.01 A 22 LEU HDx% H 1 0.92 0.01 A 22 LEU HDy% H 1 0.93 0.01 A 22 LEU HG H 1 1.88 0.01 A 22 LEU CA C 13 57.3 0.1 A 22 LEU CB C 13 43.5 0.1 A 22 LEU CDx C 13 24.1 0.1 A 22 LEU CDy C 13 25.4 0.1 A 22 LEU N N 15 115.0 0.1 A 23 LEU H H 1 7.67 0.01 A 23 LEU HA H 1 4.59 0.01 A 23 LEU HBx H 1 1.60 0.01 A 23 LEU HBy H 1 2.01 0.01 A 23 LEU HD1% H 1 0.84 0.01 A 23 LEU HD2% H 1 0.93 0.01 A 23 LEU HG H 1 1.56 0.01 A 23 LEU CA C 13 56.7 0.1 A 23 LEU CB C 13 45.9 0.1 A 23 LEU N N 15 111.8 0.1 A 24 VAL H H 1 8.67 0.01 A 24 VAL HA H 1 3.18 0.01 A 24 VAL HB H 1 1.32 0.01 A 24 VAL HG1% H 1 0.55 0.01 A 24 VAL HG2% H 1 0.88 0.01 A 24 VAL CA C 13 66.2 0.1 A 24 VAL CB C 13 30.7 0.1 A 24 VAL CG1 C 13 19.1 0.1 A 24 VAL CG2 C 13 22.2 0.1 A 24 VAL N N 15 117.4 0.1 A 25 GLY H H 1 8.30 0.01 A 25 GLY HAx H 1 3.64 0.01 A 25 GLY HAy H 1 3.77 0.01 A 25 GLY CA C 13 46.9 0.1 A 25 GLY N N 15 108.3 0.1 A 26 HIS H H 1 7.11 0.01 A 26 HIS HA H 1 4.40 0.01 A 26 HIS HB2 H 1 3.00 0.01 A 26 HIS HB3 H 1 3.34 0.01 A 26 HIS HD2 H 1 7.43 0.01 A 26 HIS HE1 H 1 7.97 0.01 A 26 HIS CA C 13 58.4 0.1 A 26 HIS CB C 13 30.9 0.1 A 26 HIS N N 15 115.7 0.1 A 27 PHE H H 1 8.06 0.01 A 27 PHE HA H 1 3.22 0.01 A 27 PHE HB2 H 1 2.26 0.01 A 27 PHE HB3 H 1 2.52 0.01 A 27 PHE HDx H 1 6.63 0.01 A 27 PHE HDy H 1 6.63 0.01 A 27 PHE HEx H 1 7.27 0.01 A 27 PHE HEy H 1 7.27 0.01 A 27 PHE HZ H 1 7.37 0.01 A 27 PHE CA C 13 61.2 0.1 A 27 PHE CB C 13 38.4 0.1 A 27 PHE N N 15 118.6 0.1 A 28 ASN H H 1 8.80 0.01 A 28 ASN HA H 1 4.23 0.01 A 28 ASN HBx H 1 2.83 0.01 A 28 ASN HBy H 1 2.92 0.01 A 28 ASN HD2x H 1 6.93 0.01 A 28 ASN HD2y H 1 7.45 0.01 A 28 ASN CA C 13 55.4 0.1 A 28 ASN CB C 13 37.8 0.1 A 28 ASN N N 15 117.4 0.1 A 28 ASN ND2 N 15 106.9 0.1 A 29 GLU H H 1 7.38 0.01 A 29 GLU HA H 1 4.27 0.01 A 29 GLU HBx H 1 2.01 0.01 A 29 GLU HBy H 1 2.23 0.01 A 29 GLU HGx H 1 2.33 0.01 A 29 GLU HGy H 1 2.44 0.01 A 29 GLU CA C 13 56.1 0.1 A 29 GLU CB C 13 30.4 0.1 A 29 GLU N N 15 113.7 0.1 A 30 GLY H H 1 7.71 0.01 A 30 GLY HAx H 1 3.72 0.01 A 30 GLY HAy H 1 3.93 0.01 A 30 GLY CA C 13 45.7 0.1 A 30 GLY N N 15 104.3 0.1 A 31 LYS H H 1 7.87 0.01 A 31 LYS HA H 1 4.12 0.01 A 31 LYS HBx H 1 1.83 0.01 A 31 LYS HBy H 1 1.95 0.01 A 31 LYS HDx H 1 1.74 0.01 A 31 LYS HDy H 1 1.74 0.01 A 31 LYS HEx H 1 3.00 0.01 A 31 LYS HEy H 1 3.00 0.01 A 31 LYS HGx H 1 1.51 0.01 A 31 LYS HGy H 1 1.65 0.01 A 31 LYS CA C 13 57.2 0.1 A 31 LYS CB C 13 33.2 0.1 A 31 LYS N N 15 113.4 0.1 A 32 PHE H H 1 6.93 0.01 A 32 PHE HA H 1 5.05 0.01 A 32 PHE HBx H 1 3.21 0.01 A 32 PHE HBy H 1 3.35 0.01 A 32 PHE HDx H 1 7.23 0.01 A 32 PHE HDy H 1 7.23 0.01 A 32 PHE HEx H 1 7.27 0.01 A 32 PHE HEy H 1 7.27 0.01 A 32 PHE HZ H 1 7.16 0.01 A 32 PHE CA C 13 55.7 0.1 A 32 PHE CB C 13 41.4 0.1 A 32 PHE N N 15 105.7 0.1 A 33 SER H H 1 9.06 0.01 A 33 SER HA H 1 4.92 0.01 A 33 SER HBx H 1 4.02 0.01 A 33 SER HBy H 1 4.33 0.01 A 33 SER CA C 13 55.9 0.1 A 33 SER CB C 13 66.4 0.1 A 33 SER N N 15 112.9 0.1 A 34 LEU H H 1 9.33 0.01 A 34 LEU HA H 1 4.10 0.01 A 34 LEU HB2 H 1 1.74 0.01 A 34 LEU HB3 H 1 1.89 0.01 A 34 LEU HD1% H 1 0.80 0.01 A 34 LEU HD2% H 1 0.88 0.01 A 34 LEU HG H 1 1.74 0.01 A 34 LEU CA C 13 59.0 0.1 A 34 LEU CB C 13 42.5 0.1 A 34 LEU CG C 13 27.0 0.1 A 34 LEU N N 15 121.1 0.1 A 35 ILE H H 1 8.04 0.01 A 35 ILE HA H 1 3.90 0.01 A 35 ILE HB H 1 1.93 0.01 A 35 ILE HD1% H 1 0.94 0.01 A 35 ILE HG1x H 1 1.43 0.01 A 35 ILE HG1y H 1 1.52 0.01 A 35 ILE HG2% H 1 1.00 0.01 A 35 ILE CA C 13 62.9 0.1 A 35 ILE CB C 13 38.0 0.1 A 35 ILE CD1 C 13 13.5 0.1 A 35 ILE CG1 C 13 28.6 0.1 A 35 ILE CG2 C 13 18.4 0.1 A 35 ILE N N 15 111.6 0.1 A 36 GLU H H 1 7.66 0.01 A 36 GLU HA H 1 4.08 0.01 A 36 GLU HB2 H 1 2.67 0.01 A 36 GLU HB3 H 1 2.36 0.01 A 36 GLU HGx H 1 2.51 0.01 A 36 GLU HGy H 1 2.51 0.01 A 36 GLU CA C 13 59.8 0.1 A 36 GLU CB C 13 30.3 0.1 A 36 GLU N N 15 117.6 0.1 A 37 LEU H H 1 7.27 0.01 A 37 LEU HA H 1 3.34 0.01 A 37 LEU HBx H 1 0.87 0.01 A 37 LEU HBy H 1 1.81 0.01 A 37 LEU HD1% H 1 -0.10 0.01 A 37 LEU HD2% H 1 0.81 0.01 A 37 LEU HG H 1 1.02 0.01 A 37 LEU CA C 13 57.1 0.1 A 37 LEU CB C 13 41.3 0.1 A 37 LEU CD1 C 13 20.8 0.1 A 37 LEU CD2 C 13 28.5 0.1 A 37 LEU CG C 13 27.1 0.1 A 37 LEU N N 15 117.8 0.1 A 38 ILE H H 1 8.04 0.01 A 38 ILE HA H 1 2.94 0.01 A 38 ILE HB H 1 1.66 0.01 A 38 ILE HD1% H 1 0.61 0.01 A 38 ILE HG1x H 1 0.35 0.01 A 38 ILE HG1y H 1 1.28 0.01 A 38 ILE HG2% H 1 0.69 0.01 A 38 ILE CA C 13 65.5 0.1 A 38 ILE CB C 13 37.5 0.1 A 38 ILE CG2 C 13 16.6 0.1 A 38 ILE N N 15 116.5 0.1 A 39 LYS H H 1 8.40 0.01 A 39 LYS HA H 1 3.86 0.01 A 39 LYS HBx H 1 1.91 0.01 A 39 LYS HBy H 1 1.91 0.01 A 39 LYS HDx H 1 1.70 0.01 A 39 LYS HDy H 1 1.70 0.01 A 39 LYS HEx H 1 2.99 0.01 A 39 LYS HEy H 1 2.99 0.01 A 39 LYS CA C 13 60.1 0.1 A 39 LYS CB C 13 32.7 0.1 A 39 LYS N N 15 115.1 0.1 A 40 PHE H H 1 7.74 0.01 A 40 PHE HA H 1 4.16 0.01 A 40 PHE HB2 H 1 3.38 0.01 A 40 PHE HB3 H 1 3.11 0.01 A 40 PHE HDx H 1 7.13 0.01 A 40 PHE HDy H 1 7.13 0.01 A 40 PHE HEx H 1 7.41 0.01 A 40 PHE HEy H 1 7.41 0.01 A 40 PHE HZ H 1 7.18 0.01 A 40 PHE CA C 13 61.8 0.1 A 40 PHE CB C 13 40.3 0.1 A 40 PHE N N 15 118.0 0.1 A 41 ALA H H 1 8.50 0.01 A 41 ALA HA H 1 3.70 0.01 A 41 ALA HB% H 1 1.33 0.01 A 41 ALA CA C 13 56.0 0.1 A 41 ALA CB C 13 17.6 0.1 A 41 ALA N N 15 120.8 0.1 A 42 LYS H H 1 8.83 0.01 A 42 LYS HA H 1 4.29 0.01 A 42 LYS HBx H 1 1.88 0.01 A 42 LYS HBy H 1 2.05 0.01 A 42 LYS HDx H 1 1.72 0.01 A 42 LYS HDy H 1 1.72 0.01 A 42 LYS HEx H 1 3.02 0.01 A 42 LYS HEy H 1 3.02 0.01 A 42 LYS HGx H 1 1.47 0.01 A 42 LYS HGy H 1 1.59 0.01 A 42 LYS CA C 13 59.4 0.1 A 42 LYS CB C 13 32.4 0.1 A 42 LYS CE C 13 42.6 0.1 A 42 LYS N N 15 115.6 0.1 A 43 SER H H 1 7.91 0.01 A 43 SER HA H 1 4.31 0.01 A 43 SER HBx H 1 3.96 0.01 A 43 SER HBy H 1 3.96 0.01 A 43 SER CA C 13 61.2 0.1 A 43 SER CB C 13 63.2 0.1 A 43 SER N N 15 113.8 0.1 A 44 ARG H H 1 7.29 0.01 A 44 ARG HA H 1 4.32 0.01 A 44 ARG HBx H 1 1.51 0.01 A 44 ARG HBy H 1 2.08 0.01 A 44 ARG HDx H 1 2.80 0.01 A 44 ARG HDy H 1 2.80 0.01 A 44 ARG HE H 1 7.18 0.01 A 44 ARG HGx H 1 1.30 0.01 A 44 ARG HGy H 1 1.30 0.01 A 44 ARG CA C 13 54.5 0.1 A 44 ARG CB C 13 29.8 0.1 A 44 ARG N N 15 117.8 0.1 A 45 GLU H H 1 7.98 0.01 A 45 GLU HA H 1 3.82 0.01 A 45 GLU HBx H 1 2.09 0.01 A 45 GLU HBy H 1 2.18 0.01 A 45 GLU HGx H 1 2.17 0.01 A 45 GLU HGy H 1 2.17 0.01 A 45 GLU CA C 13 56.6 0.1 A 45 GLU CB C 13 27.1 0.1 A 45 GLU N N 15 112.9 0.1 A 46 THR H H 1 7.30 0.01 A 46 THR HA H 1 4.85 0.01 A 46 THR HB H 1 3.93 0.01 A 46 THR HG2% H 1 1.09 0.01 A 46 THR CA C 13 59.0 0.1 A 46 THR CB C 13 71.1 0.1 A 46 THR CG2 C 13 19.6 0.1 A 46 THR N N 15 107.5 0.1 A 47 PHE H H 1 8.06 0.01 A 47 PHE HA H 1 4.91 0.01 A 47 PHE HBx H 1 2.76 0.01 A 47 PHE HBy H 1 3.01 0.01 A 47 PHE HDx H 1 6.75 0.01 A 47 PHE HDy H 1 6.75 0.01 A 47 PHE HEx H 1 7.10 0.01 A 47 PHE HEy H 1 7.10 0.01 A 47 PHE HZ H 1 7.11 0.01 A 47 PHE CA C 13 57.1 0.1 A 47 PHE CB C 13 39.7 0.1 A 48 ILE H H 1 8.13 0.01 A 48 ILE HA H 1 4.44 0.01 A 48 ILE HB H 1 1.63 0.01 A 48 ILE HD1% H 1 0.69 0.01 A 48 ILE HG1x H 1 0.77 0.01 A 48 ILE HG1y H 1 1.16 0.01 A 48 ILE HG2% H 1 0.68 0.01 A 48 ILE CA C 13 59.9 0.1 A 48 ILE CB C 13 39.8 0.1 A 48 ILE N N 15 117.8 0.1 A 49 ILE H H 1 9.08 0.01 A 49 ILE HA H 1 3.84 0.01 A 49 ILE HB H 1 2.01 0.01 A 49 ILE HD1% H 1 0.58 0.01 A 49 ILE HG1x H 1 1.07 0.01 A 49 ILE HG1y H 1 1.44 0.01 A 49 ILE HG2% H 1 0.76 0.01 A 49 ILE CA C 13 61.1 0.1 A 49 ILE CB C 13 36.7 0.1 A 49 ILE CD1 C 13 13.6 0.1 A 49 ILE CG1 C 13 27.8 0.1 A 49 ILE CG2 C 13 17.8 0.1 A 49 ILE N N 15 124.7 0.1 A 50 ASP H H 1 6.97 0.01 A 50 ASP HA H 1 5.23 0.01 A 50 ASP HBx H 1 2.56 0.01 A 50 ASP HBy H 1 3.27 0.01 A 50 ASP CA C 13 51.4 0.1 A 50 ASP CB C 13 42.9 0.1 A 50 ASP N N 15 122.9 0.1 A 51 ASP H H 1 8.32 0.01 A 51 ASP HA H 1 3.99 0.01 A 51 ASP HB2 H 1 2.56 0.01 A 51 ASP HB3 H 1 2.66 0.01 A 51 ASP CA C 13 58.1 0.1 A 51 ASP CB C 13 40.2 0.1 A 51 ASP N N 15 114.5 0.1 A 52 GLU H H 1 7.77 0.01 A 52 GLU HA H 1 4.19 0.01 A 52 GLU HBx H 1 2.20 0.01 A 52 GLU HBy H 1 2.20 0.01 A 52 GLU HGx H 1 2.30 0.01 A 52 GLU HGy H 1 2.39 0.01 A 52 GLU CA C 13 59.8 0.1 A 52 GLU CB C 13 29.4 0.1 A 52 GLU N N 15 116.8 0.1 A 53 ILE H H 1 8.11 0.01 A 53 ILE HA H 1 3.98 0.01 A 53 ILE HB H 1 2.27 0.01 A 53 ILE HD1% H 1 0.86 0.01 A 53 ILE HG1x H 1 1.77 0.01 A 53 ILE HG1y H 1 1.94 0.01 A 53 ILE HG2% H 1 0.99 0.01 A 53 ILE CA C 13 62.5 0.1 A 53 ILE CB C 13 36.2 0.1 A 53 ILE CD1 C 13 10.2 0.1 A 53 ILE CG2 C 13 17.9 0.1 A 53 ILE N N 15 116.1 0.1 A 54 ALA H H 1 8.78 0.01 A 54 ALA HA H 1 3.84 0.01 A 54 ALA HB% H 1 1.44 0.01 A 54 ALA CA C 13 56.0 0.1 A 54 ALA CB C 13 19.1 0.1 A 54 ALA N N 15 117.6 0.1 A 55 ASN H H 1 8.45 0.01 A 55 ASN HA H 1 4.38 0.01 A 55 ASN HB2 H 1 2.70 0.01 A 55 ASN HB3 H 1 2.93 0.01 A 55 ASN HD2x H 1 6.71 0.01 A 55 ASN HD2y H 1 7.32 0.01 A 55 ASN CA C 13 56.8 0.1 A 55 ASN CB C 13 39.3 0.1 A 55 ASN N N 15 112.0 0.1 A 55 ASN ND2 N 15 108.5 0.1 A 56 GLU H H 1 8.17 0.01 A 56 GLU HA H 1 4.01 0.01 A 56 GLU HBx H 1 2.36 0.01 A 56 GLU HBy H 1 2.36 0.01 A 56 GLU HGx H 1 2.51 0.01 A 56 GLU HGy H 1 2.65 0.01 A 56 GLU CA C 13 59.4 0.1 A 56 GLU CB C 13 29.4 0.1 A 56 GLU CG C 13 36.9 0.1 A 56 GLU N N 15 116.2 0.1 A 57 PHE H H 1 8.80 0.01 A 57 PHE HA H 1 2.94 0.01 A 57 PHE HB2 H 1 2.43 0.01 A 57 PHE HB3 H 1 2.64 0.01 A 57 PHE HDx H 1 6.19 0.01 A 57 PHE HDy H 1 6.19 0.01 A 57 PHE HEx H 1 5.91 0.01 A 57 PHE HEy H 1 5.91 0.01 A 57 PHE HZ H 1 6.51 0.01 A 57 PHE CA C 13 60.3 0.1 A 57 PHE CB C 13 38.5 0.1 A 57 PHE N N 15 119.4 0.1 A 58 LEU H H 1 8.18 0.01 A 58 LEU HA H 1 3.40 0.01 A 58 LEU HB2 H 1 1.84 0.01 A 58 LEU HB3 H 1 1.09 0.01 A 58 LEU HD1% H 1 0.79 0.01 A 58 LEU HD2% H 1 0.41 0.01 A 58 LEU HG H 1 1.75 0.01 A 58 LEU CA C 13 57.5 0.1 A 58 LEU CB C 13 40.9 0.1 A 58 LEU CD1 C 13 25.9 0.1 A 58 LEU CD2 C 13 22.3 0.1 A 58 LEU CG C 13 26.9 0.1 A 58 LEU N N 15 116.4 0.1 A 59 LYS H H 1 7.59 0.01 A 59 LYS HA H 1 4.02 0.01 A 59 LYS HBx H 1 1.85 0.01 A 59 LYS HBy H 1 1.85 0.01 A 59 LYS HDx H 1 1.67 0.01 A 59 LYS HDy H 1 1.67 0.01 A 59 LYS HEx H 1 2.94 0.01 A 59 LYS HEy H 1 2.94 0.01 A 59 LYS HGx H 1 1.39 0.01 A 59 LYS HGy H 1 1.39 0.01 A 59 LYS CA C 13 59.2 0.1 A 59 LYS CB C 13 32.5 0.1 A 59 LYS N N 15 114.7 0.1 A 60 SER H H 1 7.70 0.01 A 60 SER HA H 1 4.21 0.01 A 60 SER HBx H 1 3.88 0.01 A 60 SER HBy H 1 3.92 0.01 A 60 SER CA C 13 61.4 0.1 A 60 SER CB C 13 63.3 0.1 A 60 SER N N 15 113.8 0.1 A 61 ILE H H 1 6.91 0.01 A 61 ILE HA H 1 4.38 0.01 A 61 ILE HB H 1 1.99 0.01 A 61 ILE HD1% H 1 0.42 0.01 A 61 ILE HG1x H 1 0.72 0.01 A 61 ILE HG1y H 1 0.92 0.01 A 61 ILE HG2% H 1 0.30 0.01 A 61 ILE CA C 13 61.2 0.1 A 61 ILE CB C 13 38.1 0.1 A 61 ILE CD1 C 13 14.7 0.1 A 61 ILE CG2 C 13 17.6 0.1 A 61 ILE N N 15 110.3 0.1 A 62 GLY H H 1 7.58 0.01 A 62 GLY HAx H 1 3.83 0.01 A 62 GLY HAy H 1 3.96 0.01 A 62 GLY CA C 13 46.3 0.1 A 62 GLY N N 15 107.2 0.1 A 63 ALA H H 1 7.76 0.01 A 63 ALA HA H 1 4.35 0.01 A 63 ALA HB% H 1 1.01 0.01 A 63 ALA CA C 13 51.7 0.1 A 63 ALA CB C 13 20.0 0.1 A 63 ALA N N 15 119.2 0.1 A 64 GLU H H 1 8.07 0.01 A 64 GLU HA H 1 4.30 0.01 A 64 GLU HBx H 1 1.88 0.01 A 64 GLU HBy H 1 1.88 0.01 A 64 GLU HGx H 1 2.26 0.01 A 64 GLU HGy H 1 2.26 0.01 A 64 GLU CA C 13 56.1 0.1 A 64 GLU CB C 13 30.5 0.1 A 64 GLU N N 15 116.2 0.1 A 65 VAL H H 1 7.99 0.01 A 65 VAL HA H 1 4.18 0.01 A 65 VAL HB H 1 2.05 0.01 A 65 VAL HGx% H 1 0.90 0.01 A 65 VAL HGy% H 1 0.90 0.01 A 65 VAL CA C 13 61.8 0.1 A 65 VAL CB C 13 33.4 0.1 A 65 VAL CGx C 13 21.4 0.1 A 65 VAL CGy C 13 21.4 0.1 A 65 VAL N N 15 117.4 0.1 A 66 GLU H H 1 8.26 0.01 A 66 GLU HA H 1 4.36 0.01 A 66 GLU HBx H 1 2.00 0.01 A 66 GLU HBy H 1 2.00 0.01 A 66 GLU CA C 13 55.9 0.1 A 66 GLU CB C 13 30.7 0.1 A 66 GLU N N 15 121.4 0.1 A 67 LEU H H 1 8.19 0.01 A 67 LEU HA H 1 4.62 0.01 A 67 LEU HBx H 1 1.55 0.01 A 67 LEU HBy H 1 1.55 0.01 A 67 LEU HDx% H 1 0.89 0.01 A 67 LEU HDy% H 1 0.91 0.01 A 67 LEU HG H 1 1.64 0.01 A 67 LEU CA C 13 52.8 0.1 A 67 LEU CB C 13 42.2 0.1 A 67 LEU CDx C 13 23.8 0.1 A 67 LEU CDy C 13 25.5 0.1 A 67 LEU CG C 13 27.6 0.1 A 67 LEU N N 15 122.1 0.1 A 68 PRO HA H 1 4.42 0.01 A 68 PRO HBx H 1 1.91 0.01 A 68 PRO HBy H 1 2.28 0.01 A 68 PRO HDx H 1 3.63 0.01 A 68 PRO HDy H 1 3.83 0.01 A 68 PRO HGx H 1 2.01 0.01 A 68 PRO HGy H 1 2.27 0.01 A 68 PRO CA C 13 63.1 0.1 A 68 PRO CB C 13 32.1 0.1 A 68 PRO CD C 13 51.0 0.1 A 68 PRO CG C 13 28.1 0.1 A 69 GLN H H 1 8.27 0.01 A 69 GLN HA H 1 4.29 0.01 A 69 GLN HBx H 1 1.97 0.01 A 69 GLN HBy H 1 1.97 0.01 A 69 GLN HE2x H 1 6.74 0.01 A 69 GLN HE2y H 1 7.44 0.01 A 69 GLN HGx H 1 2.38 0.01 A 69 GLN HGy H 1 2.38 0.01 A 69 GLN CA C 13 55.8 0.1 A 69 GLN CB C 13 29.9 0.1 A 69 GLN N N 15 117.0 0.1 A 69 GLN NE2 N 15 108.9 0.1 A 70 GLU H H 1 8.31 0.01 A 70 GLU HA H 1 4.32 0.01 A 70 GLU HBx H 1 1.95 0.01 A 70 GLU HBy H 1 1.95 0.01 A 70 GLU HGx H 1 2.26 0.01 A 70 GLU HGy H 1 2.26 0.01 A 70 GLU CA C 13 56.4 0.1 A 70 GLU CB C 13 30.6 0.1 A 70 GLU N N 15 118.5 0.1 A 71 ILE H H 1 8.04 0.01 A 71 ILE HA H 1 4.17 0.01 A 71 ILE HB H 1 1.86 0.01 A 71 ILE HD1% H 1 0.83 0.01 A 71 ILE HG1x H 1 1.17 0.01 A 71 ILE HG1y H 1 1.46 0.01 A 71 ILE HG2% H 1 0.89 0.01 A 71 ILE CA C 13 61.1 0.1 A 71 ILE CB C 13 38.7 0.1 A 71 ILE CD1 C 13 13.4 0.1 A 71 ILE CG1 C 13 27.6 0.1 A 71 ILE CG2 C 13 18.0 0.1 A 71 ILE N N 15 119.6 0.1 A 72 LYS H H 1 7.77 0.01 A 72 LYS HA H 1 4.19 0.01 A 72 LYS HBx H 1 1.75 0.01 A 72 LYS HBy H 1 1.85 0.01 A 72 LYS HDx H 1 1.71 0.01 A 72 LYS HDy H 1 1.71 0.01 A 72 LYS HEx H 1 3.02 0.01 A 72 LYS HEy H 1 3.02 0.01 A 72 LYS HGx H 1 1.40 0.01 A 72 LYS HGy H 1 1.40 0.01 A 72 LYS CA C 13 57.5 0.1 A 72 LYS CB C 13 34.1 0.1 A 72 LYS CD C 13 29.6 0.1 A 72 LYS CE C 13 42.6 0.1 A 72 LYS CG C 13 25.1 0.1 A 72 LYS N N 15 127.6 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ASP HA A 3 GLU HA 1.0 2.5 6.0 2 2 A 2 ASP HA A 3 GLU HB3 1.0 2.5 6.0 3 3 A 2 ASP HA A 3 GLU HB2 1.0 2.5 6.0 4 4 A 2 ASP HA A 3 GLU H 1.0 2.0 4.5 5 5 A 3 GLU H A 2 ASP HBy 1.0 2.0 4.5 6 6 A 3 GLU H A 2 ASP HBx 1.0 2.0 4.5 7 7 A 3 GLU H A 2 ASP H 1.0 2.5 6.0 8 8 A 2 ASP HA A 4 PHE H 1.0 2.5 6.0 9 9 A 4 PHE H A 2 ASP HBy 1.0 2.5 6.0 10 9 A 4 PHE H A 2 ASP HBx 1.0 2.5 6.0 11 10 A 5 VAL HB A 2 ASP HBy 1.0 2.5 6.0 12 10 A 2 ASP HBx A 5 VAL HB 1.0 2.5 6.0 13 11 A 2 ASP H A 5 VAL HGx% 1.0 2.5 6.0 14 11 A 2 ASP H A 5 VAL HGy% 1.0 2.5 6.0 15 12 A 3 GLU HB3 A 4 PHE H 1.0 2.0 4.5 16 13 A 4 PHE H A 3 GLU HGx 1.0 2.5 6.0 17 13 A 4 PHE H A 3 GLU HGy 1.0 2.5 6.0 18 14 A 3 GLU H A 4 PHE H 1.0 2.0 4.5 19 15 A 3 GLU HA A 6 LYS HBx 1.0 1.5 3.5 20 15 A 3 GLU HA A 6 LYS HBy 1.0 1.5 3.5 21 16 A 3 GLU HA A 6 LYS HEx 1.0 2.5 6.0 22 16 A 3 GLU HA A 6 LYS HEy 1.0 2.5 6.0 23 17 A 3 GLU HA A 6 LYS H 1.0 2.0 4.5 24 18 A 3 GLU HA A 7 GLY H 1.0 2.0 4.5 25 19 A 3 GLU HB2 A 27 PHE HE% 1.0 2.5 6.0 26 20 A 4 PHE HA A 5 VAL H 1.0 2.0 4.5 27 21 A 5 VAL H A 4 PHE HB2 1.0 2.0 4.5 28 22 A 4 PHE HD% A 5 VAL HA 1.0 2.5 6.0 29 23 A 5 VAL HB A 4 PHE HD% 1.0 2.5 6.0 30 24 A 4 PHE HD% A 5 VAL HGx% 1.0 2.0 4.5 31 24 A 5 VAL HGy% A 4 PHE HD% 1.0 2.0 4.5 32 25 A 5 VAL H A 4 PHE HD% 1.0 2.5 6.0 33 26 A 5 VAL HA A 4 PHE HE% 1.0 2.5 6.0 34 27 A 5 VAL H A 4 PHE HE% 1.0 2.5 6.0 35 28 A 7 GLY H A 4 PHE HA 1.0 2.0 4.5 36 29 A 4 PHE HA A 8 LEU HG 1.0 2.5 6.0 37 30 A 4 PHE HA A 8 LEU HD1% 1.0 2.5 6.0 38 31 A 4 PHE HD% A 8 LEU HG 1.0 2.5 6.0 39 32 A 4 PHE HD% A 8 LEU HD2% 1.0 2.5 6.0 40 33 A 4 PHE HD% A 8 LEU HD1% 1.0 2.5 6.0 41 34 A 4 PHE HE% A 8 LEU HD2% 1.0 2.0 4.5 42 35 A 4 PHE HE% A 8 LEU HD1% 1.0 2.0 4.5 43 36 A 4 PHE HD% A 15 ILE HD1% 1.0 2.5 6.0 44 37 A 4 PHE HE% A 15 ILE HB 1.0 2.5 6.0 45 38 A 4 PHE HE% A 15 ILE HD1% 1.0 1.5 3.5 46 39 A 4 PHE HB2 A 20 TYR HE% 1.0 2.5 6.0 47 40 A 4 PHE HD% A 20 TYR HA 1.0 2.5 6.0 48 41 A 4 PHE HD% A 20 TYR HE% 1.0 1.5 3.5 49 42 A 4 PHE HE% A 20 TYR HA 1.0 2.0 4.5 50 43 A 4 PHE HE% A 20 TYR HD% 1.0 2.0 4.5 51 44 A 4 PHE H A 20 TYR HE% 1.0 2.0 4.5 52 45 A 4 PHE HD% A 23 LEU HBx 1.0 2.5 6.0 53 45 A 4 PHE HD% A 23 LEU HBy 1.0 2.5 6.0 54 46 A 4 PHE HE% A 23 LEU HBy 1.0 2.0 4.5 55 47 A 4 PHE HE% A 23 LEU HBx 1.0 2.0 4.5 56 48 A 4 PHE HE% A 23 LEU HD2% 1.0 2.0 4.5 57 49 A 4 PHE HE% A 23 LEU HD1% 1.0 1.5 3.5 58 50 A 4 PHE HE% A 23 LEU H 1.0 2.5 6.0 59 51 A 4 PHE HD% A 24 VAL HA 1.0 2.0 4.5 60 52 A 4 PHE HD% A 24 VAL HB 1.0 2.0 4.5 61 53 A 4 PHE HD% A 24 VAL HG1% 1.0 2.5 6.0 62 54 A 4 PHE HD% A 24 VAL HG2% 1.0 2.0 4.5 63 55 A 4 PHE HD% A 24 VAL H 1.0 2.5 6.0 64 56 A 4 PHE HE% A 24 VAL HA 1.0 2.5 6.0 65 57 A 4 PHE HE% A 24 VAL H 1.0 2.5 6.0 66 58 A 4 PHE HA A 27 PHE HD% 1.0 2.5 6.0 67 59 A 27 PHE HE% A 4 PHE HA 1.0 2.0 4.5 68 60 A 4 PHE HA A 27 PHE HZ 1.0 2.0 4.5 69 61 A 27 PHE HD% A 4 PHE HB3 1.0 2.0 4.5 70 62 A 4 PHE HB2 A 27 PHE HD% 1.0 2.0 4.5 71 63 A 27 PHE HE% A 4 PHE HB2 1.0 2.0 4.5 72 64 A 4 PHE HD% A 27 PHE HB3 1.0 2.5 6.0 73 65 A 4 PHE HD% A 27 PHE HB2 1.0 2.5 6.0 74 66 A 4 PHE HD% A 27 PHE HD% 1.0 2.5 6.0 75 67 A 27 PHE HE% A 4 PHE HD% 1.0 2.0 4.5 76 68 A 4 PHE HD% A 27 PHE H 1.0 2.5 6.0 77 69 A 4 PHE HD% A 27 PHE HZ 1.0 2.5 6.0 78 70 A 4 PHE HE% A 27 PHE HA 1.0 2.5 6.0 79 71 A 4 PHE HE% A 27 PHE HB3 1.0 2.5 6.0 80 72 A 4 PHE HE% A 27 PHE HD% 1.0 2.0 4.5 81 73 A 27 PHE HE% A 4 PHE HE% 1.0 2.0 4.5 82 74 A 4 PHE HE% A 27 PHE H 1.0 2.5 6.0 83 75 A 4 PHE H A 27 PHE HD% 1.0 2.5 6.0 84 76 A 4 PHE H A 27 PHE HE% 1.0 2.5 6.0 85 77 A 4 PHE HD% A 32 PHE HZ 1.0 2.5 6.0 86 78 A 4 PHE HE% A 32 PHE HE% 1.0 1.5 3.5 87 79 A 4 PHE HE% A 32 PHE HZ 1.0 2.0 4.5 88 80 A 4 PHE HA A 34 LEU HD2% 1.0 2.0 4.5 89 81 A 4 PHE HA A 34 LEU HD1% 1.0 2.5 6.0 90 82 A 4 PHE HD% A 34 LEU HG 1.0 2.5 6.0 91 83 A 4 PHE HD% A 34 LEU HD2% 1.0 1.5 3.5 92 84 A 4 PHE HD% A 34 LEU HD1% 1.0 2.0 4.5 93 85 A 4 PHE HE% A 34 LEU HA 1.0 2.5 6.0 94 86 A 4 PHE HE% A 34 LEU HG 1.0 2.5 6.0 95 87 A 4 PHE HE% A 34 LEU HD2% 1.0 1.5 3.5 96 88 A 4 PHE HD% A 37 LEU HD2% 1.0 2.5 6.0 97 89 A 4 PHE HE% A 37 LEU HD2% 1.0 1.5 2.8 98 90 A 4 PHE HE% A 37 LEU HD1% 1.0 2.5 6.0 99 91 A 4 PHE HE% A 49 ILE HD1% 1.0 2.0 4.5 100 92 A 6 LYS H A 5 VAL HA 1.0 2.5 6.0 101 93 A 5 VAL HB A 6 LYS H 1.0 2.0 4.5 102 94 A 6 LYS H A 5 VAL HGx% 1.0 2.0 4.5 103 94 A 5 VAL HGy% A 6 LYS H 1.0 2.0 4.5 104 95 A 6 LYS H A 5 VAL H 1.0 2.0 4.5 105 96 A 5 VAL HA A 8 LEU HB3 1.0 2.5 6.0 106 97 A 5 VAL HA A 8 LEU HG 1.0 2.5 6.0 107 98 A 5 VAL HA A 8 LEU HD1% 1.0 2.0 4.5 108 99 A 5 VAL HA A 8 LEU H 1.0 2.0 4.5 109 100 A 5 VAL HA A 9 MET H 1.0 2.5 6.0 110 101 A 9 MET HE% A 5 VAL HGx% 1.0 1.5 3.5 111 101 A 5 VAL HGy% A 9 MET HE% 1.0 1.5 3.5 112 102 A 5 VAL HGy% A 9 MET HGx 1.0 2.5 6.0 113 102 A 5 VAL HGx% A 9 MET HGx 1.0 2.5 6.0 114 102 A 9 MET HGy A 5 VAL HGx% 1.0 2.5 6.0 115 102 A 5 VAL HGy% A 9 MET HGy 1.0 2.5 6.0 116 103 A 5 VAL HA A 15 ILE HG2% 1.0 2.0 4.5 117 104 A 15 ILE HG2% A 5 VAL HGx% 1.0 1.5 2.8 118 104 A 5 VAL HGy% A 15 ILE HG2% 1.0 1.5 2.8 119 105 A 5 VAL HA A 20 TYR HD% 1.0 2.5 6.0 120 106 A 5 VAL HA A 20 TYR HE% 1.0 2.5 6.0 121 107 A 5 VAL HB A 20 TYR HD% 1.0 2.5 6.0 122 108 A 5 VAL HB A 20 TYR HE% 1.0 2.5 6.0 123 109 A 20 TYR HD% A 5 VAL HGx% 1.0 1.5 3.5 124 109 A 5 VAL HGy% A 20 TYR HD% 1.0 1.5 3.5 125 110 A 20 TYR HE% A 5 VAL HGx% 1.0 1.5 3.5 126 110 A 5 VAL HGy% A 20 TYR HE% 1.0 1.5 3.5 127 111 A 5 VAL H A 20 TYR HD% 1.0 2.5 6.0 128 112 A 5 VAL H A 20 TYR HE% 1.0 2.5 6.0 129 113 A 7 GLY H A 6 LYS HA 1.0 2.0 4.5 130 114 A 7 GLY H A 6 LYS HBx 1.0 2.0 4.5 131 114 A 6 LYS HBy A 7 GLY H 1.0 2.0 4.5 132 115 A 6 LYS H A 7 GLY H 1.0 1.5 3.5 133 116 A 6 LYS H A 8 LEU H 1.0 2.5 6.0 134 117 A 6 LYS HA A 9 MET HBx 1.0 1.5 3.5 135 117 A 6 LYS HA A 9 MET HBy 1.0 1.5 3.5 136 118 A 9 MET HE% A 6 LYS HA 1.0 2.0 4.5 137 119 A 9 MET H A 6 LYS HA 1.0 2.0 4.5 138 120 A 6 LYS HA A 10 LYS H 1.0 2.0 4.5 139 121 A 8 LEU H A 7 GLY HAy 1.0 2.0 4.5 140 122 A 8 LEU H A 7 GLY HAx 1.0 2.0 4.5 141 123 A 7 GLY H A 8 LEU HG 1.0 2.5 6.0 142 124 A 7 GLY H A 8 LEU HD1% 1.0 2.5 6.0 143 125 A 7 GLY H A 8 LEU H 1.0 2.0 4.5 144 126 A 9 MET H A 7 GLY HAy 1.0 2.5 6.0 145 127 A 9 MET H A 7 GLY HAx 1.0 2.5 6.0 146 128 A 10 LYS HB2 A 7 GLY HAy 1.0 2.5 6.0 147 128 A 7 GLY HAx A 10 LYS HB2 1.0 2.5 6.0 148 129 A 10 LYS H A 7 GLY HAy 1.0 2.5 6.0 149 129 A 10 LYS H A 7 GLY HAx 1.0 2.5 6.0 150 130 A 34 LEU HD2% A 7 GLY HAy 1.0 2.0 4.5 151 130 A 34 LEU HD2% A 7 GLY HAx 1.0 2.0 4.5 152 131 A 34 LEU HD1% A 7 GLY HAy 1.0 2.0 4.5 153 132 A 34 LEU HD1% A 7 GLY HAx 1.0 2.0 4.5 154 133 A 9 MET H A 8 LEU HA 1.0 2.5 6.0 155 134 A 8 LEU HB3 A 9 MET H 1.0 2.0 4.5 156 135 A 8 LEU HB2 A 9 MET HA 1.0 2.5 6.0 157 136 A 9 MET HE% A 8 LEU HB2 1.0 2.0 4.5 158 137 A 8 LEU HG A 9 MET H 1.0 2.5 6.0 159 138 A 8 LEU HD2% A 9 MET H 1.0 2.5 6.0 160 139 A 8 LEU HD1% A 9 MET HE% 1.0 2.5 6.0 161 140 A 8 LEU HD1% A 9 MET H 1.0 2.5 6.0 162 141 A 8 LEU H A 9 MET HBx 1.0 2.5 6.0 163 141 A 8 LEU H A 9 MET HBy 1.0 2.5 6.0 164 142 A 8 LEU H A 9 MET H 1.0 2.0 4.5 165 143 A 8 LEU HA A 11 ASN HB2 1.0 2.0 4.5 166 144 A 8 LEU HA A 11 ASN H 1.0 2.5 6.0 167 145 A 8 LEU HD2% A 11 ASN H 1.0 2.5 6.0 168 146 A 8 LEU HA A 13 TYR HBy 1.0 2.0 4.5 169 146 A 8 LEU HA A 13 TYR HBx 1.0 2.0 4.5 170 147 A 8 LEU HA A 13 TYR HD% 1.0 2.5 6.0 171 148 A 8 LEU HB3 A 13 TYR HBy 1.0 2.0 4.5 172 149 A 8 LEU HB3 A 13 TYR HD% 1.0 2.5 6.0 173 150 A 8 LEU HB3 A 13 TYR HBx 1.0 2.0 4.5 174 151 A 8 LEU HD2% A 13 TYR HA 1.0 2.5 6.0 175 152 A 8 LEU HD2% A 13 TYR HBy 1.0 1.5 3.5 176 152 A 8 LEU HD2% A 13 TYR HBx 1.0 1.5 3.5 177 153 A 8 LEU HD2% A 13 TYR HD% 1.0 2.0 4.5 178 154 A 8 LEU HD2% A 13 TYR H 1.0 2.5 6.0 179 155 A 8 LEU HD1% A 13 TYR HBy 1.0 2.0 4.5 180 155 A 8 LEU HD1% A 13 TYR HBx 1.0 2.0 4.5 181 156 A 8 LEU HD1% A 13 TYR HD% 1.0 2.5 6.0 182 157 A 8 LEU HD1% A 15 ILE HA 1.0 2.5 6.0 183 158 A 8 LEU HD1% A 15 ILE HB 1.0 1.5 3.5 184 159 A 8 LEU HD1% A 15 ILE HD1% 1.0 1.5 3.5 185 160 A 8 LEU HD1% A 15 ILE HG2% 1.0 1.5 3.5 186 161 A 8 LEU HD1% A 15 ILE H 1.0 2.5 6.0 187 162 A 8 LEU HD1% A 20 TYR HD% 1.0 2.5 6.0 188 163 A 8 LEU HG A 34 LEU HD2% 1.0 2.0 4.5 189 164 A 8 LEU HG A 34 LEU HD1% 1.0 2.0 4.5 190 165 A 8 LEU HD2% A 34 LEU HA 1.0 2.5 6.0 191 166 A 8 LEU HD2% A 34 LEU HD2% 1.0 2.0 4.5 192 167 A 8 LEU HD1% A 34 LEU HD2% 1.0 2.0 4.5 193 168 A 34 LEU HD2% A 8 LEU H 1.0 2.0 4.5 194 169 A 34 LEU HD1% A 8 LEU H 1.0 2.0 4.5 195 170 A 8 LEU HD2% A 37 LEU HD2% 1.0 1.5 2.8 196 171 A 8 LEU HD2% A 37 LEU HD1% 1.0 2.0 4.5 197 172 A 8 LEU HD1% A 37 LEU HD2% 1.0 1.5 3.5 198 173 A 8 LEU HA A 38 ILE HD1% 1.0 2.0 4.5 199 174 A 8 LEU HD2% A 38 ILE HD1% 1.0 2.0 4.5 200 175 A 8 LEU HD2% A 38 ILE HG1x 1.0 2.0 4.5 201 175 A 8 LEU HD2% A 38 ILE HG1y 1.0 2.0 4.5 202 176 A 8 LEU HD1% A 38 ILE HG1x 1.0 2.5 6.0 203 176 A 8 LEU HD1% A 38 ILE HG1y 1.0 2.5 6.0 204 177 A 49 ILE HD1% A 8 LEU HB3 1.0 2.5 6.0 205 178 A 8 LEU HD2% A 49 ILE HD1% 1.0 1.5 3.5 206 179 A 8 LEU HD1% A 49 ILE HB 1.0 2.5 6.0 207 180 A 8 LEU HD1% A 49 ILE HD1% 1.0 2.0 4.5 208 181 A 8 LEU HD1% A 49 ILE HG1x 1.0 2.5 6.0 209 181 A 8 LEU HD1% A 49 ILE HG1y 1.0 2.5 6.0 210 182 A 8 LEU HD1% A 49 ILE HG2% 1.0 2.5 6.0 211 183 A 9 MET HA A 11 ASN H 1.0 2.5 6.0 212 184 A 9 MET HA A 12 GLY H 1.0 2.0 4.5 213 185 A 9 MET HA A 13 TYR HD% 1.0 2.5 6.0 214 186 A 9 MET HA A 13 TYR H 1.0 2.0 4.5 215 187 A 9 MET H A 13 TYR H 1.0 2.5 6.0 216 188 A 9 MET HE% A 14 LEU HA 1.0 2.0 4.5 217 189 A 9 MET HE% A 14 LEU HDx% 1.0 1.5 3.5 218 189 A 9 MET HE% A 14 LEU HDy% 1.0 1.5 3.5 219 190 A 9 MET HE% A 15 ILE HG2% 1.0 2.0 4.5 220 191 A 11 ASN H A 10 LYS HA 1.0 2.0 4.5 221 192 A 10 LYS HB3 A 11 ASN HA 1.0 2.5 6.0 222 193 A 11 ASN H A 10 LYS HB3 1.0 2.0 4.5 223 194 A 10 LYS HB2 A 11 ASN HA 1.0 2.5 6.0 224 195 A 11 ASN HA A 10 LYS HGx 1.0 2.5 6.0 225 195 A 11 ASN HA A 10 LYS HGy 1.0 2.5 6.0 226 196 A 11 ASN H A 10 LYS HGx 1.0 2.5 6.0 227 196 A 11 ASN H A 10 LYS HGy 1.0 2.5 6.0 228 197 A 10 LYS H A 11 ASN HA 1.0 2.5 6.0 229 198 A 10 LYS H A 11 ASN H 1.0 2.0 4.5 230 199 A 12 GLY H A 10 LYS HA 1.0 2.5 6.0 231 200 A 10 LYS H A 12 GLY H 1.0 2.0 4.5 232 201 A 10 LYS H A 13 TYR HD% 1.0 2.5 6.0 233 202 A 12 GLY H A 11 ASN HA 1.0 2.0 4.5 234 203 A 12 GLY H A 11 ASN HB3 1.0 2.5 6.0 235 204 A 11 ASN HB2 A 12 GLY H 1.0 2.5 6.0 236 205 A 11 ASN H A 12 GLY HAy 1.0 2.5 6.0 237 205 A 11 ASN H A 12 GLY HAx 1.0 2.5 6.0 238 206 A 11 ASN H A 12 GLY H 1.0 1.5 3.5 239 207 A 13 TYR HD% A 11 ASN HA 1.0 2.5 6.0 240 208 A 11 ASN HA A 13 TYR HE% 1.0 2.5 6.0 241 209 A 13 TYR HD% A 11 ASN HB3 1.0 2.0 4.5 242 210 A 11 ASN HB3 A 13 TYR HE% 1.0 2.0 4.5 243 211 A 11 ASN HB2 A 13 TYR HD% 1.0 1.5 3.5 244 212 A 11 ASN HB2 A 13 TYR HE% 1.0 2.0 4.5 245 213 A 13 TYR HE% A 11 ASN HD2y 1.0 2.5 6.0 246 213 A 13 TYR HE% A 11 ASN HD2x 1.0 2.5 6.0 247 214 A 11 ASN H A 13 TYR HD% 1.0 2.0 4.5 248 215 A 11 ASN H A 13 TYR H 1.0 2.0 4.5 249 216 A 38 ILE HD1% A 11 ASN HA 1.0 2.5 6.0 250 217 A 11 ASN HA A 38 ILE HG2% 1.0 2.5 6.0 251 218 A 38 ILE HD1% A 11 ASN HB3 1.0 2.0 4.5 252 219 A 11 ASN HB3 A 38 ILE HG2% 1.0 2.5 6.0 253 220 A 11 ASN HB2 A 38 ILE HD1% 1.0 2.0 4.5 254 221 A 11 ASN HB2 A 38 ILE HG2% 1.0 2.5 6.0 255 222 A 38 ILE HD1% A 11 ASN HD2y 1.0 2.0 4.5 256 222 A 38 ILE HD1% A 11 ASN HD2x 1.0 2.0 4.5 257 223 A 11 ASN H A 38 ILE HD1% 1.0 2.5 6.0 258 224 A 13 TYR H A 12 GLY H 1.0 2.0 4.5 259 225 A 13 TYR H A 12 GLY HAy 1.0 1.5 3.5 260 225 A 13 TYR H A 12 GLY HAx 1.0 1.5 3.5 261 226 A 13 TYR HD% A 12 GLY HAy 1.0 2.5 6.0 262 227 A 13 TYR HD% A 12 GLY HAx 1.0 2.5 6.0 263 228 A 12 GLY H A 13 TYR HBy 1.0 2.5 6.0 264 228 A 13 TYR HBx A 12 GLY H 1.0 2.5 6.0 265 229 A 13 TYR HD% A 12 GLY H 1.0 2.0 4.5 266 230 A 13 TYR HA A 14 LEU HB3 1.0 2.5 6.0 267 231 A 13 TYR HA A 14 LEU HB2 1.0 2.5 6.0 268 232 A 13 TYR HA A 14 LEU HG 1.0 2.5 6.0 269 233 A 13 TYR HA A 14 LEU HDx% 1.0 2.5 6.0 270 233 A 13 TYR HA A 14 LEU HDy% 1.0 2.5 6.0 271 234 A 13 TYR HA A 14 LEU H 1.0 1.5 3.5 272 235 A 14 LEU H A 13 TYR HBy 1.0 2.0 4.5 273 235 A 13 TYR HBx A 14 LEU H 1.0 2.0 4.5 274 236 A 13 TYR HD% A 14 LEU H 1.0 2.0 4.5 275 237 A 13 TYR HE% A 14 LEU H 1.0 2.5 6.0 276 238 A 13 TYR H A 14 LEU HDx% 1.0 2.5 6.0 277 238 A 13 TYR H A 14 LEU HDy% 1.0 2.5 6.0 278 239 A 13 TYR H A 14 LEU H 1.0 2.5 6.0 279 240 A 13 TYR HD% A 38 ILE HA 1.0 2.5 6.0 280 241 A 13 TYR HD% A 38 ILE HD1% 1.0 2.0 4.5 281 242 A 13 TYR HD% A 38 ILE HG1x 1.0 2.5 6.0 282 242 A 13 TYR HD% A 38 ILE HG1y 1.0 2.5 6.0 283 243 A 13 TYR HD% A 38 ILE HG2% 1.0 2.0 4.5 284 244 A 13 TYR HE% A 38 ILE HA 1.0 2.5 6.0 285 245 A 38 ILE HD1% A 13 TYR HE% 1.0 2.0 4.5 286 246 A 13 TYR HE% A 38 ILE HG1x 1.0 2.5 6.0 287 246 A 38 ILE HG1y A 13 TYR HE% 1.0 2.5 6.0 288 247 A 13 TYR HE% A 38 ILE HG2% 1.0 2.0 4.5 289 248 A 13 TYR HD% A 41 ALA HB% 1.0 2.0 4.5 290 249 A 13 TYR HE% A 41 ALA HB% 1.0 1.5 3.5 291 250 A 13 TYR HE% A 41 ALA H 1.0 2.5 6.0 292 251 A 13 TYR HE% A 42 LYS HA 1.0 2.5 6.0 293 252 A 13 TYR HE% A 42 LYS H 1.0 2.5 6.0 294 253 A 13 TYR HA A 47 PHE HBy 1.0 2.0 4.5 295 254 A 13 TYR HA A 47 PHE HBx 1.0 2.0 4.5 296 255 A 13 TYR HD% A 47 PHE HA 1.0 1.5 3.5 297 256 A 13 TYR HE% A 47 PHE HA 1.0 1.5 3.5 298 257 A 13 TYR HE% A 47 PHE HBy 1.0 2.5 6.0 299 257 A 13 TYR HE% A 47 PHE HBx 1.0 2.5 6.0 300 258 A 13 TYR HA A 48 ILE HA 1.0 2.5 6.0 301 259 A 13 TYR HD% A 48 ILE HA 1.0 2.5 6.0 302 260 A 49 ILE HD1% A 13 TYR HA 1.0 2.5 6.0 303 261 A 49 ILE HD1% A 13 TYR HBy 1.0 2.0 4.5 304 261 A 49 ILE HD1% A 13 TYR HBx 1.0 2.0 4.5 305 262 A 49 ILE HD1% A 13 TYR HD% 1.0 2.0 4.5 306 263 A 13 TYR HD% A 49 ILE HG1x 1.0 2.0 4.5 307 263 A 13 TYR HD% A 49 ILE HG1y 1.0 2.0 4.5 308 264 A 13 TYR HD% A 49 ILE H 1.0 2.5 6.0 309 265 A 13 TYR HE% A 49 ILE HG1x 1.0 2.0 4.5 310 265 A 49 ILE HG1y A 13 TYR HE% 1.0 2.0 4.5 311 266 A 15 ILE HB A 14 LEU HA 1.0 2.0 4.5 312 267 A 15 ILE HG2% A 14 LEU HA 1.0 2.0 4.5 313 268 A 15 ILE H A 14 LEU HA 1.0 2.0 4.5 314 269 A 15 ILE HA A 14 LEU HB2 1.0 2.0 4.5 315 270 A 15 ILE H A 14 LEU HG 1.0 2.5 6.0 316 271 A 14 LEU HG A 47 PHE HD% 1.0 2.5 6.0 317 272 A 14 LEU HG A 47 PHE HE% 1.0 2.5 6.0 318 273 A 47 PHE HD% A 14 LEU HDx% 1.0 2.5 6.0 319 273 A 14 LEU HDy% A 47 PHE HD% 1.0 2.5 6.0 320 274 A 47 PHE HE% A 14 LEU HDx% 1.0 2.0 4.5 321 274 A 14 LEU HDy% A 47 PHE HE% 1.0 2.0 4.5 322 275 A 14 LEU H A 47 PHE HD% 1.0 2.0 4.5 323 276 A 14 LEU HB3 A 48 ILE HA 1.0 2.5 6.0 324 277 A 14 LEU HB2 A 48 ILE HA 1.0 2.5 6.0 325 278 A 14 LEU HB2 A 48 ILE HG2% 1.0 2.5 6.0 326 279 A 14 LEU H A 48 ILE HA 1.0 2.0 4.5 327 280 A 14 LEU HB2 A 49 ILE H 1.0 2.5 6.0 328 281 A 14 LEU HG A 49 ILE H 1.0 2.5 6.0 329 282 A 14 LEU H A 49 ILE H 1.0 2.5 6.0 330 283 A 15 ILE HA A 16 THR HA 1.0 2.5 6.0 331 284 A 15 ILE HA A 16 THR H 1.0 1.5 3.5 332 285 A 15 ILE HB A 16 THR H 1.0 2.0 4.5 333 286 A 16 THR H A 15 ILE HG1x 1.0 2.0 4.5 334 286 A 16 THR H A 15 ILE HG1y 1.0 2.0 4.5 335 287 A 15 ILE HA A 19 ALA HB% 1.0 2.0 4.5 336 288 A 15 ILE HD1% A 19 ALA HB% 1.0 1.5 3.5 337 289 A 19 ALA HB% A 15 ILE HG1x 1.0 2.0 4.5 338 289 A 15 ILE HG1y A 19 ALA HB% 1.0 2.0 4.5 339 290 A 19 ALA H A 15 ILE HG1x 1.0 2.5 6.0 340 290 A 15 ILE HG1y A 19 ALA H 1.0 2.5 6.0 341 291 A 15 ILE HB A 20 TYR HD% 1.0 2.5 6.0 342 292 A 15 ILE HD1% A 20 TYR HA 1.0 1.5 3.5 343 293 A 15 ILE HD1% A 20 TYR HB3 1.0 2.0 4.5 344 294 A 15 ILE HD1% A 20 TYR HB2 1.0 2.0 4.5 345 295 A 15 ILE HD1% A 20 TYR HD% 1.0 2.0 4.5 346 296 A 15 ILE HD1% A 20 TYR H 1.0 2.0 4.5 347 297 A 20 TYR HA A 15 ILE HG1x 1.0 2.0 4.5 348 297 A 20 TYR HA A 15 ILE HG1y 1.0 2.0 4.5 349 298 A 20 TYR HB2 A 15 ILE HG1x 1.0 2.5 6.0 350 298 A 15 ILE HG1y A 20 TYR HB2 1.0 2.5 6.0 351 299 A 20 TYR HD% A 15 ILE HG1x 1.0 2.5 6.0 352 299 A 20 TYR HD% A 15 ILE HG1y 1.0 2.5 6.0 353 300 A 20 TYR H A 15 ILE HG1x 1.0 2.0 4.5 354 300 A 15 ILE HG1y A 20 TYR H 1.0 2.0 4.5 355 301 A 15 ILE HG2% A 20 TYR HB2 1.0 2.0 4.5 356 302 A 20 TYR HD% A 15 ILE HG2% 1.0 2.0 4.5 357 303 A 20 TYR HE% A 15 ILE HG2% 1.0 2.5 6.0 358 304 A 15 ILE HG2% A 20 TYR H 1.0 2.5 6.0 359 305 A 15 ILE HD1% A 23 LEU HD1% 1.0 1.5 3.5 360 306 A 23 LEU HD1% A 15 ILE HG1x 1.0 1.5 3.5 361 306 A 23 LEU HD1% A 15 ILE HG1y 1.0 1.5 3.5 362 307 A 15 ILE HD1% A 37 LEU HD1% 1.0 2.0 4.5 363 308 A 15 ILE HA A 48 ILE HA 1.0 2.5 6.0 364 309 A 15 ILE HA A 48 ILE HG2% 1.0 2.5 6.0 365 310 A 15 ILE HA A 49 ILE HA 1.0 2.5 6.0 366 311 A 15 ILE HA A 49 ILE HB 1.0 1.5 3.5 367 312 A 49 ILE HD1% A 15 ILE HA 1.0 2.5 6.0 368 313 A 15 ILE HA A 49 ILE HG1x 1.0 2.5 6.0 369 313 A 15 ILE HA A 49 ILE HG1y 1.0 2.5 6.0 370 314 A 15 ILE HA A 49 ILE HG2% 1.0 2.0 4.5 371 315 A 15 ILE HA A 49 ILE H 1.0 2.0 4.5 372 316 A 15 ILE HB A 49 ILE HG2% 1.0 2.0 4.5 373 317 A 49 ILE HD1% A 15 ILE HG1x 1.0 2.5 6.0 374 317 A 49 ILE HD1% A 15 ILE HG1y 1.0 2.5 6.0 375 318 A 49 ILE HG2% A 15 ILE HG1x 1.0 2.0 4.5 376 318 A 49 ILE HG2% A 15 ILE HG1y 1.0 2.0 4.5 377 319 A 49 ILE H A 15 ILE HG1x 1.0 2.5 6.0 378 319 A 49 ILE H A 15 ILE HG1y 1.0 2.5 6.0 379 320 A 15 ILE HG2% A 49 ILE H 1.0 2.5 6.0 380 321 A 15 ILE HA A 50 ASP HA 1.0 2.5 6.0 381 322 A 50 ASP HA A 15 ILE HG1x 1.0 2.5 6.0 382 322 A 15 ILE HG1y A 50 ASP HA 1.0 2.5 6.0 383 323 A 16 THR HA A 17 PRO HBy 1.0 2.5 6.0 384 323 A 16 THR HA A 17 PRO HBx 1.0 2.5 6.0 385 324 A 16 THR HA A 17 PRO HDy 1.0 1.5 3.5 386 324 A 16 THR HA A 17 PRO HDx 1.0 1.5 3.5 387 325 A 16 THR HA A 17 PRO HDy 1.0 2.0 4.5 388 326 A 16 THR HA A 17 PRO HDx 1.0 2.0 4.5 389 327 A 16 THR HA A 17 PRO HGx 1.0 2.5 6.0 390 327 A 16 THR HA A 17 PRO HGy 1.0 2.5 6.0 391 328 A 16 THR HB A 17 PRO HBy 1.0 2.5 6.0 392 328 A 17 PRO HBx A 16 THR HB 1.0 2.5 6.0 393 329 A 16 THR HB A 17 PRO HDy 1.0 1.5 3.5 394 329 A 17 PRO HDx A 16 THR HB 1.0 1.5 3.5 395 330 A 16 THR HB A 17 PRO HDy 1.0 2.0 4.5 396 331 A 17 PRO HDx A 16 THR HB 1.0 2.0 4.5 397 332 A 16 THR HB A 17 PRO HGx 1.0 2.5 6.0 398 332 A 17 PRO HGy A 16 THR HB 1.0 2.5 6.0 399 333 A 16 THR HA A 18 SER H 1.0 2.5 6.0 400 334 A 16 THR HB A 18 SER HBx 1.0 2.5 6.0 401 334 A 16 THR HB A 18 SER HBy 1.0 2.5 6.0 402 335 A 16 THR HB A 18 SER H 1.0 2.5 6.0 403 336 A 18 SER H A 16 THR HG2% 1.0 2.0 4.5 404 337 A 19 ALA H A 16 THR HB 1.0 2.5 6.0 405 338 A 48 ILE HG2% A 16 THR HG2% 1.0 1.5 3.5 406 339 A 49 ILE H A 16 THR HG2% 1.0 2.5 6.0 407 340 A 49 ILE HB A 16 THR H 1.0 2.0 4.5 408 341 A 50 ASP HA A 16 THR HB 1.0 2.5 6.0 409 342 A 50 ASP HA A 16 THR HG2% 1.0 2.0 4.5 410 343 A 16 THR HG2% A 50 ASP HBy 1.0 2.0 4.5 411 343 A 16 THR HG2% A 50 ASP HBx 1.0 2.0 4.5 412 344 A 16 THR HG2% A 50 ASP HBy 1.0 2.0 4.5 413 345 A 16 THR HG2% A 50 ASP HBx 1.0 2.0 4.5 414 346 A 16 THR H A 50 ASP HA 1.0 2.5 6.0 415 347 A 18 SER H A 17 PRO HA 1.0 2.5 6.0 416 348 A 18 SER HA A 17 PRO HBy 1.0 2.5 6.0 417 348 A 17 PRO HBx A 18 SER HA 1.0 2.5 6.0 418 349 A 18 SER H A 17 PRO HBy 1.0 2.0 4.5 419 350 A 18 SER H A 17 PRO HDy 1.0 2.5 6.0 420 350 A 17 PRO HDx A 18 SER H 1.0 2.5 6.0 421 351 A 17 PRO HBx A 18 SER H 1.0 2.0 4.5 422 352 A 20 TYR HB3 A 17 PRO HA 1.0 2.0 4.5 423 353 A 20 TYR HB2 A 17 PRO HA 1.0 2.5 6.0 424 354 A 20 TYR HD% A 17 PRO HA 1.0 2.5 6.0 425 355 A 20 TYR H A 17 PRO HA 1.0 2.0 4.5 426 356 A 17 PRO HA A 21 TYR HE% 1.0 2.5 6.0 427 357 A 17 PRO HA A 21 TYR H 1.0 2.5 6.0 428 358 A 21 TYR HD% A 17 PRO HBy 1.0 2.0 4.5 429 358 A 17 PRO HBx A 21 TYR HD% 1.0 2.0 4.5 430 359 A 21 TYR HE% A 17 PRO HBy 1.0 2.5 6.0 431 360 A 17 PRO HBx A 21 TYR HE% 1.0 2.5 6.0 432 361 A 19 ALA H A 18 SER HA 1.0 2.5 6.0 433 362 A 19 ALA H A 18 SER HBx 1.0 2.0 4.5 434 362 A 19 ALA H A 18 SER HBy 1.0 2.0 4.5 435 363 A 19 ALA HB% A 18 SER H 1.0 2.0 4.5 436 364 A 19 ALA H A 18 SER H 1.0 2.0 4.5 437 365 A 20 TYR H A 18 SER HA 1.0 2.5 6.0 438 366 A 20 TYR H A 18 SER H 1.0 2.0 4.5 439 367 A 18 SER HA A 21 TYR HB3 1.0 2.5 6.0 440 368 A 18 SER HA A 21 TYR HB2 1.0 2.0 4.5 441 369 A 18 SER HA A 21 TYR HD% 1.0 2.0 4.5 442 370 A 18 SER HA A 21 TYR HE% 1.0 2.5 6.0 443 371 A 18 SER HA A 21 TYR H 1.0 2.5 6.0 444 372 A 21 TYR HD% A 18 SER HBx 1.0 2.5 6.0 445 372 A 18 SER HBy A 21 TYR HD% 1.0 2.5 6.0 446 373 A 18 SER HA A 22 LEU H 1.0 2.5 6.0 447 374 A 20 TYR H A 19 ALA HA 1.0 2.5 6.0 448 375 A 20 TYR HD% A 19 ALA HB% 1.0 2.5 6.0 449 376 A 19 ALA HB% A 20 TYR H 1.0 2.0 4.5 450 377 A 19 ALA H A 20 TYR H 1.0 2.0 4.5 451 378 A 21 TYR H A 19 ALA HA 1.0 2.5 6.0 452 379 A 19 ALA H A 21 TYR H 1.0 2.5 6.0 453 380 A 19 ALA HA A 22 LEU HB2 1.0 2.0 4.5 454 381 A 19 ALA HA A 22 LEU HDx% 1.0 1.5 3.5 455 381 A 19 ALA HA A 22 LEU HDy% 1.0 1.5 3.5 456 382 A 19 ALA HA A 22 LEU HG 1.0 2.0 4.5 457 383 A 22 LEU H A 19 ALA HA 1.0 2.0 4.5 458 384 A 23 LEU H A 19 ALA HA 1.0 2.5 6.0 459 385 A 19 ALA HB% A 23 LEU HG 1.0 2.0 4.5 460 386 A 23 LEU HD2% A 19 ALA HB% 1.0 2.0 4.5 461 387 A 23 LEU HD1% A 19 ALA HB% 1.0 1.5 3.5 462 388 A 49 ILE HG2% A 19 ALA HB% 1.0 1.5 3.5 463 389 A 19 ALA HB% A 50 ASP HA 1.0 1.5 3.5 464 390 A 19 ALA HB% A 50 ASP HBy 1.0 2.5 6.0 465 390 A 19 ALA HB% A 50 ASP HBx 1.0 2.5 6.0 466 391 A 19 ALA HB% A 50 ASP H 1.0 2.5 6.0 467 392 A 19 ALA H A 50 ASP HA 1.0 2.5 6.0 468 393 A 19 ALA HB% A 51 ASP HA 1.0 1.5 3.5 469 394 A 19 ALA HB% A 51 ASP H 1.0 2.0 4.5 470 395 A 19 ALA HA A 54 ALA HB% 1.0 1.5 3.5 471 396 A 19 ALA HB% A 54 ALA HB% 1.0 1.5 3.5 472 397 A 19 ALA HB% A 54 ALA H 1.0 2.5 6.0 473 398 A 20 TYR HA A 21 TYR H 1.0 2.5 6.0 474 399 A 20 TYR HB3 A 21 TYR H 1.0 2.0 4.5 475 400 A 20 TYR HB2 A 21 TYR H 1.0 2.0 4.5 476 401 A 20 TYR HD% A 21 TYR HA 1.0 2.0 4.5 477 402 A 20 TYR HD% A 21 TYR HB2 1.0 2.5 6.0 478 403 A 20 TYR HD% A 21 TYR HD% 1.0 2.0 4.5 479 404 A 20 TYR HD% A 21 TYR H 1.0 2.0 4.5 480 405 A 20 TYR HE% A 21 TYR HA 1.0 2.5 6.0 481 406 A 20 TYR HE% A 21 TYR H 1.0 2.5 6.0 482 407 A 20 TYR H A 21 TYR H 1.0 2.0 4.5 483 408 A 20 TYR HD% A 22 LEU H 1.0 2.5 6.0 484 409 A 20 TYR H A 22 LEU H 1.0 2.5 6.0 485 410 A 20 TYR HA A 23 LEU HG 1.0 2.5 6.0 486 411 A 20 TYR HA A 23 LEU HD1% 1.0 2.0 4.5 487 412 A 20 TYR HA A 23 LEU H 1.0 2.5 6.0 488 413 A 20 TYR HA A 24 VAL H 1.0 2.5 6.0 489 414 A 20 TYR HD% A 24 VAL HA 1.0 2.5 6.0 490 415 A 20 TYR HD% A 24 VAL HB 1.0 2.5 6.0 491 416 A 20 TYR HD% A 24 VAL HG1% 1.0 2.0 4.5 492 417 A 20 TYR HD% A 24 VAL HG2% 1.0 2.5 6.0 493 418 A 20 TYR HD% A 24 VAL H 1.0 2.5 6.0 494 419 A 20 TYR HE% A 24 VAL HB 1.0 2.0 4.5 495 420 A 20 TYR HE% A 24 VAL HG1% 1.0 2.0 4.5 496 421 A 20 TYR HE% A 24 VAL HG2% 1.0 1.5 3.5 497 422 A 20 TYR HE% A 24 VAL H 1.0 2.5 6.0 498 423 A 22 LEU H A 21 TYR HA 1.0 2.5 6.0 499 424 A 21 TYR HB3 A 22 LEU H 1.0 2.0 4.5 500 425 A 21 TYR H A 22 LEU H 1.0 2.0 4.5 501 426 A 24 VAL HB A 21 TYR HA 1.0 2.5 6.0 502 427 A 24 VAL HG1% A 21 TYR HA 1.0 1.5 3.5 503 428 A 24 VAL HG2% A 21 TYR HA 1.0 2.0 4.5 504 429 A 24 VAL H A 21 TYR HA 1.0 2.5 6.0 505 430 A 24 VAL HG1% A 21 TYR HD% 1.0 2.0 4.5 506 431 A 23 LEU H A 22 LEU H 1.0 2.0 4.5 507 432 A 23 LEU H A 22 LEU HA 1.0 2.0 4.5 508 433 A 23 LEU H A 22 LEU HB3 1.0 2.0 4.5 509 434 A 22 LEU HB2 A 23 LEU HA 1.0 2.0 4.5 510 435 A 22 LEU HB2 A 23 LEU HG 1.0 2.0 4.5 511 436 A 23 LEU H A 22 LEU HG 1.0 2.5 6.0 512 437 A 23 LEU H A 22 LEU H 1.0 1.5 3.5 513 438 A 24 VAL HG1% A 22 LEU HA 1.0 2.5 6.0 514 439 A 24 VAL H A 22 LEU HA 1.0 2.5 6.0 515 440 A 24 VAL H A 22 LEU H 1.0 2.5 6.0 516 441 A 51 ASP HA A 22 LEU HDx% 1.0 2.0 4.5 517 441 A 22 LEU HDy% A 51 ASP HA 1.0 2.0 4.5 518 442 A 51 ASP HB2 A 22 LEU HDx% 1.0 2.5 6.0 519 442 A 22 LEU HDy% A 51 ASP HB2 1.0 2.5 6.0 520 443 A 22 LEU HDy% A 55 ASN HD2y 1.0 2.0 4.5 521 443 A 22 LEU HDx% A 55 ASN HD2y 1.0 2.0 4.5 522 443 A 55 ASN HD2x A 22 LEU HDx% 1.0 2.0 4.5 523 443 A 22 LEU HDy% A 55 ASN HD2x 1.0 2.0 4.5 524 444 A 24 VAL H A 23 LEU HA 1.0 2.0 4.5 525 445 A 24 VAL HG1% A 23 LEU HBx 1.0 2.5 6.0 526 445 A 23 LEU HBy A 24 VAL HG1% 1.0 2.5 6.0 527 446 A 24 VAL H A 23 LEU HBx 1.0 2.0 4.5 528 446 A 23 LEU HBy A 24 VAL H 1.0 2.0 4.5 529 447 A 23 LEU HD2% A 24 VAL H 1.0 2.5 6.0 530 448 A 23 LEU H A 24 VAL HA 1.0 2.5 6.0 531 449 A 23 LEU H A 24 VAL HG1% 1.0 2.5 6.0 532 450 A 23 LEU H A 24 VAL H 1.0 1.5 3.5 533 451 A 23 LEU HD2% A 26 HIS HD2 1.0 2.0 4.5 534 452 A 32 PHE HE% A 23 LEU HA 1.0 2.5 6.0 535 453 A 32 PHE HE% A 23 LEU HBx 1.0 2.5 6.0 536 453 A 23 LEU HBy A 32 PHE HE% 1.0 2.5 6.0 537 454 A 23 LEU HBy A 32 PHE HZ 1.0 2.0 4.5 538 455 A 32 PHE HZ A 23 LEU HBx 1.0 2.0 4.5 539 456 A 23 LEU HD2% A 32 PHE HE% 1.0 2.0 4.5 540 457 A 23 LEU HD2% A 32 PHE HZ 1.0 2.0 4.5 541 458 A 23 LEU HD1% A 32 PHE HE% 1.0 2.0 4.5 542 459 A 23 LEU HD1% A 32 PHE HZ 1.0 2.0 4.5 543 460 A 23 LEU HD2% A 37 LEU HD1% 1.0 2.0 4.5 544 461 A 23 LEU HD1% A 37 LEU HD1% 1.0 1.5 2.8 545 462 A 23 LEU HD1% A 49 ILE HG2% 1.0 1.5 3.5 546 463 A 23 LEU HD2% A 54 ALA HA 1.0 2.0 4.5 547 464 A 23 LEU HD2% A 54 ALA HB% 1.0 1.5 2.8 548 465 A 23 LEU HD2% A 54 ALA H 1.0 2.5 6.0 549 466 A 23 LEU HD1% A 54 ALA HA 1.0 2.0 4.5 550 467 A 23 LEU HD1% A 54 ALA HB% 1.0 1.5 3.5 551 468 A 23 LEU HD2% A 57 PHE HD% 1.0 1.5 3.5 552 469 A 23 LEU HD2% A 57 PHE HE% 1.0 2.0 4.5 553 470 A 23 LEU HD1% A 57 PHE HD% 1.0 2.0 4.5 554 471 A 23 LEU HA A 58 LEU HD2% 1.0 2.0 4.5 555 472 A 23 LEU HD2% A 58 LEU HA 1.0 2.5 6.0 556 473 A 23 LEU HD2% A 58 LEU HG 1.0 1.5 3.5 557 474 A 23 LEU HD2% A 58 LEU HD2% 1.0 1.5 2.8 558 475 A 24 VAL HA A 25 GLY H 1.0 2.5 6.0 559 476 A 24 VAL HB A 25 GLY H 1.0 2.5 6.0 560 477 A 24 VAL HG1% A 25 GLY HAy 1.0 2.5 6.0 561 477 A 24 VAL HG1% A 25 GLY HAx 1.0 2.5 6.0 562 478 A 24 VAL HG1% A 25 GLY HAy 1.0 2.0 4.5 563 479 A 24 VAL HG1% A 25 GLY HAx 1.0 2.0 4.5 564 480 A 24 VAL HG1% A 25 GLY H 1.0 1.5 3.5 565 481 A 24 VAL HG2% A 25 GLY H 1.0 2.5 6.0 566 482 A 24 VAL H A 25 GLY HAy 1.0 2.5 6.0 567 482 A 24 VAL H A 25 GLY HAx 1.0 2.5 6.0 568 483 A 24 VAL H A 25 GLY H 1.0 2.0 4.5 569 484 A 24 VAL HG1% A 26 HIS H 1.0 2.5 6.0 570 485 A 24 VAL HA A 27 PHE HB3 1.0 2.0 4.5 571 486 A 24 VAL HA A 27 PHE HB2 1.0 2.0 4.5 572 487 A 24 VAL HA A 27 PHE HD% 1.0 2.0 4.5 573 488 A 24 VAL HA A 27 PHE H 1.0 2.0 4.5 574 489 A 24 VAL HG2% A 27 PHE HD% 1.0 2.5 6.0 575 490 A 24 VAL HA A 28 ASN H 1.0 2.5 6.0 576 491 A 24 VAL HG2% A 28 ASN HD2y 1.0 2.0 4.5 577 491 A 24 VAL HG2% A 28 ASN HD2x 1.0 2.0 4.5 578 492 A 26 HIS H A 25 GLY HAy 1.0 2.0 4.5 579 493 A 25 GLY HAx A 26 HIS H 1.0 2.0 4.5 580 494 A 25 GLY H A 26 HIS H 1.0 2.0 4.5 581 495 A 25 GLY HAx A 28 ASN HBy 1.0 2.5 6.0 582 495 A 28 ASN HBy A 25 GLY HAy 1.0 2.5 6.0 583 496 A 25 GLY HAx A 28 ASN HBx 1.0 2.5 6.0 584 496 A 25 GLY HAy A 28 ASN HBx 1.0 2.5 6.0 585 497 A 28 ASN H A 25 GLY HAy 1.0 2.5 6.0 586 497 A 25 GLY HAx A 28 ASN H 1.0 2.5 6.0 587 498 A 29 GLU H A 25 GLY HAy 1.0 2.5 6.0 588 498 A 25 GLY HAx A 29 GLU H 1.0 2.5 6.0 589 499 A 27 PHE H A 26 HIS HA 1.0 2.5 6.0 590 500 A 27 PHE H A 26 HIS HB2 1.0 2.0 4.5 591 501 A 27 PHE H A 26 HIS HD2 1.0 2.5 6.0 592 502 A 27 PHE H A 26 HIS H 1.0 2.0 4.5 593 503 A 26 HIS H A 28 ASN H 1.0 2.5 6.0 594 504 A 26 HIS HA A 29 GLU HBx 1.0 2.0 4.5 595 504 A 26 HIS HA A 29 GLU HBy 1.0 2.0 4.5 596 505 A 26 HIS HA A 29 GLU HGx 1.0 2.5 6.0 597 505 A 26 HIS HA A 29 GLU HGy 1.0 2.5 6.0 598 506 A 29 GLU H A 26 HIS HA 1.0 2.5 6.0 599 507 A 26 HIS HB2 A 29 GLU HBx 1.0 2.5 6.0 600 507 A 26 HIS HB2 A 29 GLU HBy 1.0 2.5 6.0 601 508 A 26 HIS HA A 31 LYS HGx 1.0 2.5 6.0 602 508 A 26 HIS HA A 31 LYS HGy 1.0 2.5 6.0 603 509 A 26 HIS HA A 31 LYS H 1.0 2.5 6.0 604 510 A 26 HIS HB3 A 31 LYS HBy 1.0 2.5 6.0 605 510 A 26 HIS HB3 A 31 LYS HBx 1.0 2.5 6.0 606 511 A 26 HIS HD2 A 31 LYS HBy 1.0 2.5 6.0 607 511 A 26 HIS HD2 A 31 LYS HBx 1.0 2.5 6.0 608 512 A 26 HIS HE1 A 31 LYS HEx 1.0 2.0 4.5 609 512 A 26 HIS HE1 A 31 LYS HEy 1.0 2.0 4.5 610 513 A 26 HIS HA A 32 PHE HD% 1.0 2.5 6.0 611 514 A 32 PHE HE% A 26 HIS HA 1.0 2.5 6.0 612 515 A 26 HIS HB3 A 32 PHE HD% 1.0 1.5 3.5 613 516 A 32 PHE HZ A 26 HIS HB3 1.0 2.5 6.0 614 517 A 26 HIS HB2 A 32 PHE HD% 1.0 2.0 4.5 615 518 A 32 PHE HZ A 26 HIS HB2 1.0 2.5 6.0 616 519 A 32 PHE HE% A 26 HIS HD2 1.0 2.0 4.5 617 520 A 58 LEU HD2% A 26 HIS HB2 1.0 2.5 6.0 618 521 A 26 HIS HD2 A 58 LEU HA 1.0 2.5 6.0 619 522 A 26 HIS HD2 A 58 LEU HG 1.0 2.5 6.0 620 523 A 26 HIS HD2 A 58 LEU HD1% 1.0 2.0 4.5 621 524 A 26 HIS HD2 A 58 LEU HD2% 1.0 2.0 4.5 622 525 A 26 HIS HE1 A 58 LEU HD1% 1.0 2.5 6.0 623 526 A 58 LEU HD2% A 26 HIS HE1 1.0 2.5 6.0 624 527 A 26 HIS HD2 A 61 ILE HD1% 1.0 2.5 6.0 625 528 A 26 HIS HD2 A 63 ALA HB% 1.0 2.5 6.0 626 529 A 26 HIS HE1 A 63 ALA HA 1.0 2.5 6.0 627 530 A 26 HIS HE1 A 63 ALA HB% 1.0 2.5 6.0 628 531 A 26 HIS HE1 A 65 VAL HGx% 1.0 2.5 6.0 629 531 A 26 HIS HE1 A 65 VAL HGy% 1.0 2.5 6.0 630 532 A 27 PHE HA A 28 ASN H 1.0 2.0 4.5 631 533 A 27 PHE HB3 A 28 ASN H 1.0 2.0 4.5 632 534 A 27 PHE HB2 A 28 ASN H 1.0 2.0 4.5 633 535 A 27 PHE HD% A 28 ASN HA 1.0 2.0 4.5 634 536 A 27 PHE HD% A 28 ASN HBy 1.0 2.5 6.0 635 537 A 27 PHE HD% A 28 ASN HBx 1.0 2.5 6.0 636 538 A 27 PHE HD% A 28 ASN H 1.0 2.0 4.5 637 539 A 27 PHE HE% A 28 ASN H 1.0 2.5 6.0 638 540 A 27 PHE H A 28 ASN H 1.0 2.0 4.5 639 541 A 27 PHE HA A 29 GLU H 1.0 2.5 6.0 640 542 A 27 PHE H A 29 GLU H 1.0 2.5 6.0 641 543 A 27 PHE HA A 30 GLY H 1.0 2.5 6.0 642 544 A 27 PHE HA A 31 LYS H 1.0 2.5 6.0 643 545 A 27 PHE HA A 32 PHE HE% 1.0 1.5 3.5 644 546 A 27 PHE HA A 32 PHE H 1.0 2.5 6.0 645 547 A 27 PHE HA A 32 PHE HZ 1.0 2.0 4.5 646 548 A 27 PHE HB2 A 32 PHE HD% 1.0 2.5 6.0 647 549 A 27 PHE HB2 A 32 PHE HZ 1.0 2.0 4.5 648 550 A 27 PHE HD% A 32 PHE HD% 1.0 2.0 4.5 649 551 A 27 PHE HD% A 32 PHE H 1.0 2.5 6.0 650 552 A 27 PHE HD% A 32 PHE HZ 1.0 2.0 4.5 651 553 A 27 PHE H A 32 PHE HD% 1.0 2.0 4.5 652 554 A 27 PHE H A 32 PHE HZ 1.0 2.5 6.0 653 555 A 27 PHE HD% A 33 SER HA 1.0 2.5 6.0 654 556 A 27 PHE HE% A 33 SER HA 1.0 2.0 4.5 655 557 A 27 PHE HZ A 33 SER HA 1.0 2.5 6.0 656 558 A 27 PHE HD% A 34 LEU HA 1.0 2.5 6.0 657 559 A 27 PHE HD% A 34 LEU HG 1.0 2.5 6.0 658 560 A 27 PHE HD% A 34 LEU HD2% 1.0 2.0 4.5 659 561 A 27 PHE HD% A 34 LEU HD1% 1.0 2.5 6.0 660 562 A 27 PHE HD% A 34 LEU H 1.0 2.5 6.0 661 563 A 27 PHE HE% A 34 LEU HA 1.0 1.5 3.5 662 564 A 27 PHE HE% A 34 LEU HB3 1.0 2.0 4.5 663 565 A 27 PHE HE% A 34 LEU HB2 1.0 2.5 6.0 664 566 A 27 PHE HE% A 34 LEU HG 1.0 2.0 4.5 665 567 A 27 PHE HE% A 34 LEU HD2% 1.0 1.5 3.5 666 568 A 27 PHE HE% A 34 LEU HD1% 1.0 2.0 4.5 667 569 A 27 PHE HE% A 34 LEU H 1.0 2.0 4.5 668 570 A 27 PHE HZ A 34 LEU HG 1.0 2.0 4.5 669 571 A 27 PHE HZ A 34 LEU HD2% 1.0 2.0 4.5 670 572 A 27 PHE HZ A 34 LEU HD1% 1.0 2.5 6.0 671 573 A 27 PHE HZ A 34 LEU H 1.0 2.5 6.0 672 574 A 27 PHE HD% A 37 LEU HBx 1.0 2.5 6.0 673 574 A 27 PHE HD% A 37 LEU HBy 1.0 2.5 6.0 674 575 A 29 GLU H A 28 ASN HA 1.0 2.0 4.5 675 576 A 29 GLU HA A 28 ASN HBx 1.0 2.0 4.5 676 576 A 28 ASN HBy A 29 GLU HA 1.0 2.0 4.5 677 577 A 29 GLU H A 28 ASN HBy 1.0 2.0 4.5 678 578 A 29 GLU H A 28 ASN HBx 1.0 2.0 4.5 679 579 A 28 ASN H A 29 GLU H 1.0 2.0 4.5 680 580 A 28 ASN HA A 30 GLY H 1.0 2.0 4.5 681 581 A 28 ASN H A 30 GLY H 1.0 2.5 6.0 682 582 A 30 GLY H A 29 GLU HA 1.0 2.0 4.5 683 583 A 30 GLY H A 29 GLU HBx 1.0 2.5 6.0 684 583 A 29 GLU HBy A 30 GLY H 1.0 2.5 6.0 685 584 A 29 GLU HGy A 30 GLY H 1.0 2.5 6.0 686 585 A 30 GLY H A 29 GLU HGx 1.0 2.5 6.0 687 586 A 29 GLU H A 30 GLY HAy 1.0 2.5 6.0 688 586 A 29 GLU H A 30 GLY HAx 1.0 2.5 6.0 689 587 A 29 GLU H A 30 GLY H 1.0 1.5 3.5 690 588 A 31 LYS H A 29 GLU HBx 1.0 2.5 6.0 691 588 A 29 GLU HBy A 31 LYS H 1.0 2.5 6.0 692 589 A 29 GLU H A 31 LYS H 1.0 2.5 6.0 693 590 A 31 LYS H A 30 GLY HAy 1.0 2.0 4.5 694 591 A 31 LYS H A 30 GLY HAx 1.0 2.0 4.5 695 592 A 31 LYS H A 30 GLY H 1.0 1.5 3.5 696 593 A 32 PHE H A 30 GLY HAy 1.0 2.5 6.0 697 593 A 32 PHE H A 30 GLY HAx 1.0 2.5 6.0 698 594 A 30 GLY H A 32 PHE H 1.0 2.5 6.0 699 595 A 31 LYS HA A 32 PHE HA 1.0 2.5 6.0 700 596 A 32 PHE H A 31 LYS HA 1.0 2.0 4.5 701 597 A 32 PHE HA A 31 LYS HBy 1.0 2.5 6.0 702 597 A 31 LYS HBx A 32 PHE HA 1.0 2.5 6.0 703 598 A 32 PHE HD% A 31 LYS HBy 1.0 2.0 4.5 704 599 A 32 PHE H A 31 LYS HBy 1.0 2.0 4.5 705 600 A 31 LYS HBx A 32 PHE HD% 1.0 2.0 4.5 706 601 A 31 LYS HBx A 32 PHE H 1.0 2.0 4.5 707 602 A 32 PHE H A 31 LYS HDx 1.0 2.5 6.0 708 602 A 32 PHE H A 31 LYS HDy 1.0 2.5 6.0 709 603 A 32 PHE H A 31 LYS HGx 1.0 2.5 6.0 710 603 A 31 LYS HGy A 32 PHE H 1.0 2.5 6.0 711 604 A 31 LYS H A 32 PHE HA 1.0 2.5 6.0 712 605 A 31 LYS H A 32 PHE HD% 1.0 2.5 6.0 713 606 A 31 LYS H A 32 PHE H 1.0 1.5 3.5 714 607 A 61 ILE HD1% A 31 LYS HA 1.0 2.5 6.0 715 608 A 61 ILE HD1% A 31 LYS HEx 1.0 2.0 4.5 716 608 A 31 LYS HEy A 61 ILE HD1% 1.0 2.0 4.5 717 609 A 63 ALA HB% A 31 LYS HBy 1.0 2.0 4.5 718 609 A 31 LYS HBx A 63 ALA HB% 1.0 2.0 4.5 719 610 A 63 ALA HB% A 31 LYS HDx 1.0 2.0 4.5 720 610 A 63 ALA HB% A 31 LYS HDy 1.0 2.0 4.5 721 611 A 63 ALA HA A 31 LYS HEx 1.0 2.5 6.0 722 611 A 31 LYS HEy A 63 ALA HA 1.0 2.5 6.0 723 612 A 63 ALA HB% A 31 LYS HEx 1.0 2.0 4.5 724 612 A 31 LYS HEy A 63 ALA HB% 1.0 2.0 4.5 725 613 A 33 SER HA A 32 PHE HA 1.0 2.5 6.0 726 614 A 32 PHE HA A 33 SER HBx 1.0 2.5 6.0 727 614 A 32 PHE HA A 33 SER HBy 1.0 2.5 6.0 728 615 A 32 PHE HA A 33 SER HBy 1.0 2.5 6.0 729 616 A 32 PHE HA A 33 SER HBx 1.0 2.5 6.0 730 617 A 32 PHE HA A 33 SER H 1.0 1.5 3.5 731 618 A 33 SER H A 32 PHE HBy 1.0 2.0 4.5 732 619 A 32 PHE HD% A 33 SER HA 1.0 2.5 6.0 733 620 A 33 SER H A 32 PHE HBx 1.0 2.0 4.5 734 621 A 32 PHE HD% A 33 SER H 1.0 2.0 4.5 735 622 A 32 PHE H A 33 SER H 1.0 2.5 6.0 736 623 A 34 LEU HA A 32 PHE HD% 1.0 2.0 4.5 737 624 A 32 PHE HA A 36 GLU HB3 1.0 2.5 6.0 738 625 A 32 PHE HA A 36 GLU HB2 1.0 2.5 6.0 739 626 A 32 PHE HA A 36 GLU HGx 1.0 2.5 6.0 740 626 A 32 PHE HA A 36 GLU HGy 1.0 2.5 6.0 741 627 A 36 GLU HB2 A 32 PHE HBy 1.0 2.5 6.0 742 627 A 36 GLU HB2 A 32 PHE HBx 1.0 2.5 6.0 743 628 A 32 PHE HD% A 36 GLU HB3 1.0 2.5 6.0 744 629 A 32 PHE HD% A 36 GLU HB2 1.0 2.5 6.0 745 630 A 32 PHE HD% A 36 GLU HGx 1.0 2.5 6.0 746 630 A 32 PHE HD% A 36 GLU HGy 1.0 2.5 6.0 747 631 A 32 PHE HD% A 37 LEU HBx 1.0 2.0 4.5 748 631 A 32 PHE HD% A 37 LEU HBy 1.0 2.0 4.5 749 632 A 37 LEU HD1% A 32 PHE HD% 1.0 2.5 6.0 750 633 A 32 PHE HE% A 37 LEU HD1% 1.0 2.0 4.5 751 634 A 32 PHE HZ A 37 LEU HD2% 1.0 2.0 4.5 752 635 A 32 PHE HZ A 37 LEU HD1% 1.0 2.5 6.0 753 636 A 57 PHE HE% A 32 PHE HA 1.0 2.5 6.0 754 637 A 32 PHE HA A 57 PHE HZ 1.0 2.5 6.0 755 638 A 57 PHE HE% A 32 PHE HBy 1.0 2.0 4.5 756 638 A 57 PHE HE% A 32 PHE HBx 1.0 2.0 4.5 757 639 A 57 PHE HZ A 32 PHE HBy 1.0 2.0 4.5 758 639 A 32 PHE HBx A 57 PHE HZ 1.0 2.0 4.5 759 640 A 57 PHE HD% A 32 PHE HD% 1.0 2.5 6.0 760 641 A 57 PHE HE% A 32 PHE HD% 1.0 2.0 4.5 761 642 A 32 PHE HD% A 57 PHE HZ 1.0 2.0 4.5 762 643 A 32 PHE HE% A 57 PHE HD% 1.0 2.5 6.0 763 644 A 32 PHE HE% A 57 PHE HE% 1.0 2.0 4.5 764 645 A 32 PHE HZ A 57 PHE HE% 1.0 2.5 6.0 765 646 A 32 PHE HE% A 58 LEU HD2% 1.0 2.0 4.5 766 647 A 32 PHE HZ A 58 LEU HD2% 1.0 2.5 6.0 767 648 A 61 ILE HD1% A 32 PHE HA 1.0 2.5 6.0 768 649 A 32 PHE HA A 61 ILE HG2% 1.0 2.5 6.0 769 650 A 61 ILE HB A 32 PHE HBy 1.0 2.5 6.0 770 650 A 32 PHE HBx A 61 ILE HB 1.0 2.5 6.0 771 651 A 61 ILE HD1% A 32 PHE HBy 1.0 2.0 4.5 772 652 A 61 ILE HG2% A 32 PHE HBy 1.0 2.5 6.0 773 653 A 61 ILE HD1% A 32 PHE HBx 1.0 2.0 4.5 774 654 A 32 PHE HD% A 61 ILE HD1% 1.0 2.0 4.5 775 655 A 32 PHE HD% A 61 ILE HG2% 1.0 2.5 6.0 776 656 A 32 PHE HBx A 61 ILE HG2% 1.0 2.5 6.0 777 657 A 61 ILE HD1% A 32 PHE H 1.0 2.5 6.0 778 658 A 32 PHE HD% A 63 ALA HB% 1.0 2.5 6.0 779 659 A 34 LEU HA A 33 SER HA 1.0 2.0 4.5 780 660 A 33 SER HA A 34 LEU HB3 1.0 2.5 6.0 781 661 A 33 SER HA A 34 LEU HB2 1.0 2.5 6.0 782 662 A 34 LEU HG A 33 SER HA 1.0 2.5 6.0 783 663 A 33 SER HA A 34 LEU H 1.0 1.5 3.5 784 664 A 34 LEU H A 33 SER HBx 1.0 2.0 4.5 785 664 A 34 LEU H A 33 SER HBy 1.0 2.0 4.5 786 665 A 34 LEU H A 33 SER HBy 1.0 2.0 4.5 787 666 A 34 LEU H A 33 SER HBx 1.0 2.0 4.5 788 667 A 34 LEU HA A 33 SER H 1.0 2.5 6.0 789 668 A 34 LEU H A 33 SER H 1.0 2.5 6.0 790 669 A 33 SER HA A 35 ILE HG2% 1.0 2.5 6.0 791 670 A 33 SER HA A 35 ILE H 1.0 2.0 4.5 792 671 A 35 ILE HG2% A 33 SER HBx 1.0 2.0 4.5 793 671 A 33 SER HBy A 35 ILE HG2% 1.0 2.0 4.5 794 672 A 35 ILE H A 33 SER HBx 1.0 2.0 4.5 795 672 A 33 SER HBy A 35 ILE H 1.0 2.0 4.5 796 673 A 33 SER H A 35 ILE H 1.0 2.5 6.0 797 674 A 33 SER H A 36 GLU HB3 1.0 2.5 6.0 798 675 A 33 SER H A 36 GLU HB2 1.0 2.0 4.5 799 676 A 33 SER H A 36 GLU HGx 1.0 2.0 4.5 800 676 A 33 SER H A 36 GLU HGy 1.0 2.0 4.5 801 677 A 33 SER H A 36 GLU H 1.0 2.5 6.0 802 678 A 33 SER H A 37 LEU H 1.0 2.5 6.0 803 679 A 57 PHE HE% A 33 SER H 1.0 2.5 6.0 804 680 A 33 SER H A 57 PHE HZ 1.0 2.5 6.0 805 681 A 61 ILE HD1% A 33 SER H 1.0 2.5 6.0 806 682 A 34 LEU HA A 35 ILE H 1.0 2.0 4.5 807 683 A 34 LEU HB2 A 35 ILE H 1.0 1.5 3.5 808 684 A 34 LEU H A 35 ILE HB 1.0 2.5 6.0 809 685 A 34 LEU H A 35 ILE HG2% 1.0 2.5 6.0 810 686 A 34 LEU H A 35 ILE H 1.0 2.0 4.5 811 687 A 34 LEU HA A 36 GLU H 1.0 2.5 6.0 812 688 A 34 LEU H A 36 GLU H 1.0 2.5 6.0 813 689 A 34 LEU HA A 37 LEU HD1% 1.0 2.5 6.0 814 690 A 34 LEU HB3 A 37 LEU H 1.0 2.5 6.0 815 691 A 34 LEU HA A 38 ILE HD1% 1.0 2.5 6.0 816 692 A 34 LEU HA A 38 ILE H 1.0 2.0 4.5 817 693 A 34 LEU HD1% A 38 ILE HD1% 1.0 2.0 4.5 818 694 A 36 GLU H A 35 ILE HA 1.0 2.0 4.5 819 695 A 36 GLU H A 35 ILE HB 1.0 2.0 4.5 820 696 A 36 GLU H A 35 ILE HG1x 1.0 2.5 6.0 821 696 A 36 GLU H A 35 ILE HG1y 1.0 2.5 6.0 822 697 A 35 ILE HG2% A 36 GLU HA 1.0 2.0 4.5 823 698 A 35 ILE HG2% A 36 GLU HGx 1.0 2.0 4.5 824 698 A 36 GLU HGy A 35 ILE HG2% 1.0 2.0 4.5 825 699 A 35 ILE HG2% A 36 GLU H 1.0 2.0 4.5 826 700 A 35 ILE H A 36 GLU HGx 1.0 2.5 6.0 827 700 A 36 GLU HGy A 35 ILE H 1.0 2.5 6.0 828 701 A 35 ILE H A 36 GLU H 1.0 2.0 4.5 829 702 A 37 LEU H A 35 ILE HA 1.0 2.5 6.0 830 703 A 35 ILE H A 37 LEU H 1.0 2.0 4.5 831 704 A 35 ILE HA A 38 ILE HB 1.0 1.5 3.5 832 705 A 38 ILE HD1% A 35 ILE HA 1.0 2.0 4.5 833 706 A 35 ILE HA A 38 ILE HG1x 1.0 2.0 4.5 834 706 A 38 ILE HG1y A 35 ILE HA 1.0 2.0 4.5 835 707 A 38 ILE H A 35 ILE HA 1.0 2.0 4.5 836 708 A 35 ILE HA A 39 LYS H 1.0 2.5 6.0 837 709 A 35 ILE HD1% A 39 LYS HDx 1.0 2.0 4.5 838 709 A 35 ILE HD1% A 39 LYS HDy 1.0 2.0 4.5 839 710 A 35 ILE HD1% A 39 LYS HEx 1.0 2.5 6.0 840 710 A 35 ILE HD1% A 39 LYS HEy 1.0 2.5 6.0 841 711 A 35 ILE HG1x A 39 LYS HEx 1.0 2.0 4.5 842 711 A 39 LYS HEy A 35 ILE HG1x 1.0 2.0 4.5 843 711 A 35 ILE HG1y A 39 LYS HEy 1.0 2.0 4.5 844 711 A 35 ILE HG1y A 39 LYS HEx 1.0 2.0 4.5 845 712 A 35 ILE HG2% A 39 LYS HDx 1.0 2.0 4.5 846 712 A 35 ILE HG2% A 39 LYS HDy 1.0 2.0 4.5 847 713 A 35 ILE HG2% A 39 LYS HEx 1.0 2.0 4.5 848 713 A 35 ILE HG2% A 39 LYS HEy 1.0 2.0 4.5 849 714 A 35 ILE HG2% A 39 LYS H 1.0 2.5 6.0 850 715 A 37 LEU H A 36 GLU HA 1.0 2.0 4.5 851 716 A 36 GLU HB3 A 37 LEU HA 1.0 2.5 6.0 852 717 A 36 GLU HB3 A 37 LEU H 1.0 2.0 4.5 853 718 A 36 GLU HB2 A 37 LEU HA 1.0 2.0 4.5 854 719 A 36 GLU HB2 A 37 LEU H 1.0 2.0 4.5 855 720 A 36 GLU H A 37 LEU HA 1.0 2.5 6.0 856 721 A 36 GLU H A 37 LEU H 1.0 1.5 3.5 857 722 A 38 ILE H A 36 GLU HA 1.0 2.5 6.0 858 723 A 36 GLU H A 38 ILE H 1.0 2.0 4.5 859 724 A 36 GLU HA A 39 LYS HBx 1.0 2.0 4.5 860 724 A 36 GLU HA A 39 LYS HBy 1.0 2.0 4.5 861 725 A 36 GLU HA A 39 LYS HDx 1.0 2.0 4.5 862 725 A 36 GLU HA A 39 LYS HDy 1.0 2.0 4.5 863 726 A 36 GLU HA A 39 LYS HGx 1.0 2.0 4.5 864 726 A 36 GLU HA A 39 LYS HGy 1.0 2.0 4.5 865 727 A 36 GLU HA A 39 LYS H 1.0 2.0 4.5 866 728 A 36 GLU H A 39 LYS H 1.0 2.5 6.0 867 729 A 36 GLU HA A 40 PHE H 1.0 2.5 6.0 868 730 A 57 PHE HE% A 36 GLU HA 1.0 2.5 6.0 869 731 A 57 PHE HD% A 36 GLU HB3 1.0 2.5 6.0 870 732 A 57 PHE HE% A 36 GLU HB3 1.0 2.0 4.5 871 733 A 36 GLU HB3 A 57 PHE HZ 1.0 2.0 4.5 872 734 A 57 PHE HE% A 36 GLU HB2 1.0 2.0 4.5 873 735 A 36 GLU HB2 A 57 PHE HZ 1.0 2.0 4.5 874 736 A 57 PHE HE% A 36 GLU HGx 1.0 2.5 6.0 875 736 A 57 PHE HE% A 36 GLU HGy 1.0 2.5 6.0 876 737 A 57 PHE HZ A 36 GLU HGx 1.0 2.5 6.0 877 737 A 36 GLU HGy A 57 PHE HZ 1.0 2.5 6.0 878 738 A 57 PHE HE% A 36 GLU H 1.0 2.5 6.0 879 739 A 57 PHE HZ A 36 GLU H 1.0 2.5 6.0 880 740 A 36 GLU HB3 A 61 ILE HG2% 1.0 2.5 6.0 881 741 A 36 GLU HB2 A 61 ILE HG2% 1.0 2.5 6.0 882 742 A 61 ILE HG2% A 36 GLU HGx 1.0 2.5 6.0 883 742 A 36 GLU HGy A 61 ILE HG2% 1.0 2.5 6.0 884 743 A 38 ILE H A 37 LEU HA 1.0 2.0 4.5 885 744 A 38 ILE H A 37 LEU HBx 1.0 2.0 4.5 886 744 A 37 LEU HBy A 38 ILE H 1.0 2.0 4.5 887 745 A 38 ILE H A 37 LEU HG 1.0 2.5 6.0 888 746 A 37 LEU HD1% A 38 ILE H 1.0 2.5 6.0 889 747 A 37 LEU H A 38 ILE H 1.0 1.5 3.5 890 748 A 39 LYS H A 37 LEU HA 1.0 2.5 6.0 891 749 A 37 LEU H A 39 LYS H 1.0 2.5 6.0 892 750 A 37 LEU HA A 40 PHE HB3 1.0 2.0 4.5 893 751 A 37 LEU HA A 40 PHE H 1.0 2.0 4.5 894 752 A 37 LEU HD1% A 40 PHE HA 1.0 2.5 6.0 895 753 A 37 LEU HD1% A 40 PHE HB3 1.0 2.0 4.5 896 754 A 37 LEU HD1% A 40 PHE HB2 1.0 2.0 4.5 897 755 A 37 LEU HD1% A 40 PHE HD% 1.0 2.0 4.5 898 756 A 37 LEU HD1% A 40 PHE HE% 1.0 2.5 6.0 899 757 A 37 LEU HD1% A 40 PHE H 1.0 2.5 6.0 900 758 A 41 ALA H A 37 LEU HA 1.0 2.5 6.0 901 759 A 41 ALA HB% A 37 LEU HG 1.0 2.0 4.5 902 760 A 37 LEU HD1% A 41 ALA HA 1.0 2.5 6.0 903 761 A 37 LEU HD1% A 41 ALA HB% 1.0 2.0 4.5 904 762 A 37 LEU HD1% A 41 ALA H 1.0 2.5 6.0 905 763 A 49 ILE HD1% A 37 LEU HA 1.0 2.5 6.0 906 764 A 49 ILE HD1% A 37 LEU HG 1.0 1.5 3.5 907 765 A 37 LEU HG A 49 ILE HG1x 1.0 2.0 4.5 908 765 A 49 ILE HG1y A 37 LEU HG 1.0 2.0 4.5 909 766 A 49 ILE HG2% A 37 LEU HG 1.0 2.0 4.5 910 767 A 37 LEU HD2% A 49 ILE HD1% 1.0 2.0 4.5 911 768 A 37 LEU HD2% A 49 ILE HG1x 1.0 2.0 4.5 912 768 A 37 LEU HD2% A 49 ILE HG1y 1.0 2.0 4.5 913 769 A 37 LEU HD1% A 49 ILE HA 1.0 2.5 6.0 914 770 A 37 LEU HD1% A 49 ILE HB 1.0 2.5 6.0 915 771 A 37 LEU HD1% A 49 ILE HD1% 1.0 1.5 3.5 916 772 A 37 LEU HD1% A 49 ILE HG2% 1.0 1.5 3.5 917 773 A 37 LEU HD1% A 53 ILE HG2% 1.0 2.0 4.5 918 774 A 37 LEU HD1% A 54 ALA HB% 1.0 2.0 4.5 919 775 A 57 PHE HD% A 37 LEU HA 1.0 2.0 4.5 920 776 A 57 PHE HE% A 37 LEU HA 1.0 1.5 3.5 921 777 A 57 PHE HZ A 37 LEU HA 1.0 1.5 3.5 922 778 A 57 PHE HE% A 37 LEU HBx 1.0 2.5 6.0 923 778 A 57 PHE HE% A 37 LEU HBy 1.0 2.5 6.0 924 779 A 57 PHE HZ A 37 LEU HBx 1.0 2.5 6.0 925 779 A 37 LEU HBy A 57 PHE HZ 1.0 2.5 6.0 926 780 A 37 LEU HD2% A 57 PHE HD% 1.0 2.5 6.0 927 781 A 37 LEU HD2% A 57 PHE HE% 1.0 2.5 6.0 928 782 A 37 LEU HD1% A 57 PHE HA 1.0 2.5 6.0 929 783 A 37 LEU HD1% A 57 PHE HB3 1.0 2.5 6.0 930 784 A 37 LEU HD1% A 57 PHE HB2 1.0 2.0 4.5 931 785 A 37 LEU HD1% A 57 PHE HD% 1.0 2.0 4.5 932 786 A 37 LEU HD1% A 57 PHE HE% 1.0 2.0 4.5 933 787 A 37 LEU HD1% A 57 PHE H 1.0 2.5 6.0 934 788 A 37 LEU HD1% A 57 PHE HZ 1.0 2.5 6.0 935 789 A 57 PHE HE% A 37 LEU H 1.0 2.0 4.5 936 790 A 57 PHE HZ A 37 LEU H 1.0 2.0 4.5 937 791 A 38 ILE HA A 39 LYS H 1.0 2.5 6.0 938 792 A 38 ILE HB A 39 LYS HA 1.0 2.5 6.0 939 793 A 38 ILE HB A 39 LYS H 1.0 2.0 4.5 940 794 A 38 ILE HD1% A 39 LYS H 1.0 2.5 6.0 941 795 A 39 LYS H A 38 ILE HG1x 1.0 2.5 6.0 942 795 A 38 ILE HG1y A 39 LYS H 1.0 2.5 6.0 943 796 A 38 ILE HG2% A 39 LYS HA 1.0 2.0 4.5 944 797 A 38 ILE HG2% A 39 LYS H 1.0 2.0 4.5 945 798 A 38 ILE H A 39 LYS H 1.0 2.0 4.5 946 799 A 38 ILE HA A 40 PHE H 1.0 2.5 6.0 947 800 A 38 ILE HA A 41 ALA HB% 1.0 2.0 4.5 948 801 A 38 ILE HA A 41 ALA H 1.0 2.0 4.5 949 802 A 38 ILE HA A 42 LYS H 1.0 2.0 4.5 950 803 A 42 LYS H A 38 ILE HB 1.0 2.5 6.0 951 804 A 38 ILE HG2% A 42 LYS HDx 1.0 2.0 4.5 952 804 A 38 ILE HG2% A 42 LYS HDy 1.0 2.0 4.5 953 805 A 38 ILE HG2% A 42 LYS HEx 1.0 2.0 4.5 954 805 A 38 ILE HG2% A 42 LYS HEy 1.0 2.0 4.5 955 806 A 38 ILE HG2% A 42 LYS H 1.0 2.5 6.0 956 807 A 57 PHE HE% A 38 ILE H 1.0 2.5 6.0 957 808 A 40 PHE H A 39 LYS HA 1.0 2.0 4.5 958 809 A 40 PHE H A 39 LYS HBx 1.0 2.0 4.5 959 809 A 39 LYS HBy A 40 PHE H 1.0 2.0 4.5 960 810 A 40 PHE H A 39 LYS HGx 1.0 2.5 6.0 961 810 A 39 LYS HGy A 40 PHE H 1.0 2.5 6.0 962 811 A 39 LYS H A 40 PHE H 1.0 2.0 4.5 963 812 A 39 LYS HA A 42 LYS HBy 1.0 1.5 3.5 964 812 A 39 LYS HA A 42 LYS HBx 1.0 1.5 3.5 965 813 A 42 LYS H A 39 LYS HA 1.0 2.0 4.5 966 814 A 39 LYS HA A 43 SER H 1.0 2.5 6.0 967 815 A 41 ALA H A 40 PHE HA 1.0 2.5 6.0 968 816 A 41 ALA H A 40 PHE HB3 1.0 2.0 4.5 969 817 A 41 ALA H A 40 PHE HB2 1.0 2.0 4.5 970 818 A 40 PHE HD% A 41 ALA HA 1.0 2.0 4.5 971 819 A 41 ALA HB% A 40 PHE HD% 1.0 2.0 4.5 972 820 A 41 ALA H A 40 PHE HD% 1.0 2.0 4.5 973 821 A 40 PHE HE% A 41 ALA HA 1.0 2.5 6.0 974 822 A 41 ALA H A 40 PHE H 1.0 2.0 4.5 975 823 A 42 LYS H A 40 PHE H 1.0 2.5 6.0 976 824 A 40 PHE HA A 43 SER H 1.0 2.5 6.0 977 825 A 40 PHE HD% A 44 ARG HGx 1.0 2.5 6.0 978 825 A 40 PHE HD% A 44 ARG HGy 1.0 2.5 6.0 979 826 A 40 PHE HE% A 44 ARG HDy 1.0 2.0 4.5 980 826 A 40 PHE HE% A 44 ARG HDx 1.0 2.0 4.5 981 827 A 40 PHE HD% A 53 ILE HA 1.0 2.5 6.0 982 828 A 40 PHE HD% A 53 ILE HD1% 1.0 2.0 4.5 983 829 A 40 PHE HD% A 53 ILE HG2% 1.0 1.5 3.5 984 830 A 40 PHE HE% A 53 ILE HA 1.0 1.5 3.5 985 831 A 40 PHE HE% A 53 ILE HD1% 1.0 2.0 4.5 986 832 A 40 PHE HE% A 53 ILE HG2% 1.0 1.5 3.5 987 833 A 40 PHE HE% A 53 ILE H 1.0 2.5 6.0 988 834 A 53 ILE HA A 40 PHE HZ 1.0 2.5 6.0 989 835 A 53 ILE HD1% A 40 PHE HZ 1.0 2.5 6.0 990 836 A 53 ILE HG2% A 40 PHE HZ 1.0 2.5 6.0 991 837 A 40 PHE HD% A 56 GLU HBx 1.0 2.5 6.0 992 837 A 40 PHE HD% A 56 GLU HBy 1.0 2.5 6.0 993 838 A 40 PHE HE% A 56 GLU HA 1.0 2.5 6.0 994 839 A 40 PHE HE% A 56 GLU HBx 1.0 1.5 3.5 995 839 A 40 PHE HE% A 56 GLU HBy 1.0 1.5 3.5 996 840 A 40 PHE HE% A 56 GLU HGy 1.0 2.5 6.0 997 841 A 40 PHE HE% A 56 GLU HGx 1.0 2.5 6.0 998 842 A 40 PHE HE% A 56 GLU H 1.0 2.5 6.0 999 843 A 40 PHE HZ A 56 GLU HA 1.0 2.5 6.0 1000 844 A 40 PHE HZ A 56 GLU HBx 1.0 1.5 3.5 1001 844 A 40 PHE HZ A 56 GLU HBy 1.0 1.5 3.5 1002 845 A 40 PHE HZ A 56 GLU HGx 1.0 2.0 4.5 1003 845 A 40 PHE HZ A 56 GLU HGy 1.0 2.0 4.5 1004 846 A 40 PHE HZ A 56 GLU H 1.0 2.5 6.0 1005 847 A 57 PHE HD% A 40 PHE HA 1.0 2.5 6.0 1006 848 A 57 PHE HE% A 40 PHE HA 1.0 2.5 6.0 1007 849 A 57 PHE HD% A 40 PHE HB3 1.0 2.0 4.5 1008 850 A 57 PHE HE% A 40 PHE HB3 1.0 2.0 4.5 1009 851 A 57 PHE HD% A 40 PHE HB2 1.0 2.0 4.5 1010 852 A 57 PHE HE% A 40 PHE HB2 1.0 2.0 4.5 1011 853 A 40 PHE HD% A 57 PHE HA 1.0 2.5 6.0 1012 854 A 40 PHE HD% A 57 PHE HB3 1.0 2.5 6.0 1013 855 A 40 PHE HD% A 57 PHE HB2 1.0 2.0 4.5 1014 856 A 57 PHE HD% A 40 PHE HD% 1.0 2.0 4.5 1015 857 A 57 PHE HE% A 40 PHE HD% 1.0 2.0 4.5 1016 858 A 40 PHE HD% A 57 PHE H 1.0 2.5 6.0 1017 859 A 40 PHE HE% A 57 PHE HA 1.0 2.0 4.5 1018 860 A 40 PHE HE% A 57 PHE HB3 1.0 2.5 6.0 1019 861 A 40 PHE HE% A 57 PHE HB2 1.0 2.0 4.5 1020 862 A 57 PHE HD% A 40 PHE HE% 1.0 2.5 6.0 1021 863 A 40 PHE HE% A 57 PHE H 1.0 2.0 4.5 1022 864 A 57 PHE HD% A 40 PHE H 1.0 2.5 6.0 1023 865 A 57 PHE HE% A 40 PHE H 1.0 2.5 6.0 1024 866 A 57 PHE HA A 40 PHE HZ 1.0 2.5 6.0 1025 867 A 57 PHE HB3 A 40 PHE HZ 1.0 2.5 6.0 1026 868 A 57 PHE HD% A 40 PHE HZ 1.0 2.5 6.0 1027 869 A 57 PHE H A 40 PHE HZ 1.0 2.5 6.0 1028 870 A 40 PHE HD% A 60 SER HBx 1.0 2.5 6.0 1029 870 A 40 PHE HD% A 60 SER HBy 1.0 2.5 6.0 1030 871 A 40 PHE HE% A 60 SER HBx 1.0 2.0 4.5 1031 871 A 40 PHE HE% A 60 SER HBy 1.0 2.0 4.5 1032 872 A 42 LYS H A 41 ALA HA 1.0 2.0 4.5 1033 873 A 41 ALA HB% A 42 LYS H 1.0 1.5 3.5 1034 874 A 41 ALA H A 42 LYS H 1.0 2.0 4.5 1035 875 A 41 ALA HA A 43 SER H 1.0 2.5 6.0 1036 876 A 41 ALA HB% A 43 SER H 1.0 2.5 6.0 1037 877 A 41 ALA H A 43 SER H 1.0 2.5 6.0 1038 878 A 41 ALA HA A 44 ARG HBy 1.0 2.0 4.5 1039 878 A 41 ALA HA A 44 ARG HBx 1.0 2.0 4.5 1040 879 A 41 ALA HA A 44 ARG HBy 1.0 2.0 4.5 1041 880 A 41 ALA HA A 44 ARG HBx 1.0 2.0 4.5 1042 881 A 41 ALA HA A 44 ARG HDy 1.0 2.5 6.0 1043 882 A 41 ALA HA A 44 ARG HDx 1.0 2.5 6.0 1044 883 A 41 ALA HA A 44 ARG HGx 1.0 2.0 4.5 1045 883 A 41 ALA HA A 44 ARG HGy 1.0 2.0 4.5 1046 884 A 41 ALA HA A 44 ARG H 1.0 2.0 4.5 1047 885 A 41 ALA HA A 46 THR HG2% 1.0 2.0 4.5 1048 886 A 41 ALA HB% A 46 THR HG2% 1.0 1.5 3.5 1049 887 A 41 ALA HB% A 47 PHE HA 1.0 2.5 6.0 1050 888 A 49 ILE HD1% A 41 ALA HB% 1.0 1.5 3.5 1051 889 A 41 ALA HB% A 49 ILE HG1x 1.0 2.0 4.5 1052 889 A 49 ILE HG1y A 41 ALA HB% 1.0 2.0 4.5 1053 890 A 41 ALA HA A 53 ILE HD1% 1.0 2.0 4.5 1054 891 A 41 ALA HA A 53 ILE HG2% 1.0 2.0 4.5 1055 892 A 41 ALA HB% A 53 ILE HG2% 1.0 2.0 4.5 1056 893 A 41 ALA H A 57 PHE HD% 1.0 2.5 6.0 1057 894 A 42 LYS HA A 43 SER H 1.0 2.5 6.0 1058 895 A 43 SER H A 42 LYS HBy 1.0 2.0 4.5 1059 896 A 42 LYS HBx A 43 SER H 1.0 2.0 4.5 1060 897 A 43 SER H A 42 LYS HGx 1.0 2.5 6.0 1061 897 A 43 SER H A 42 LYS HGy 1.0 2.5 6.0 1062 898 A 42 LYS H A 43 SER H 1.0 2.0 4.5 1063 899 A 42 LYS H A 44 ARG H 1.0 2.5 6.0 1064 900 A 42 LYS HA A 45 GLU HA 1.0 2.5 6.0 1065 901 A 42 LYS HA A 45 GLU H 1.0 1.5 3.5 1066 902 A 42 LYS HA A 46 THR HG2% 1.0 2.5 6.0 1067 903 A 42 LYS HA A 46 THR H 1.0 2.0 4.5 1068 904 A 44 ARG H A 43 SER HA 1.0 2.0 4.5 1069 905 A 44 ARG H A 43 SER HBx 1.0 2.0 4.5 1070 905 A 44 ARG H A 43 SER HBy 1.0 2.0 4.5 1071 906 A 43 SER H A 44 ARG H 1.0 2.0 4.5 1072 907 A 45 GLU H A 44 ARG HBy 1.0 2.0 4.5 1073 907 A 44 ARG HBx A 45 GLU H 1.0 2.0 4.5 1074 908 A 45 GLU H A 44 ARG HGx 1.0 2.5 6.0 1075 908 A 44 ARG HGy A 45 GLU H 1.0 2.5 6.0 1076 909 A 44 ARG H A 45 GLU H 1.0 1.5 3.5 1077 910 A 46 THR HG2% A 44 ARG HA 1.0 2.5 6.0 1078 911 A 46 THR HG2% A 44 ARG HBy 1.0 2.0 4.5 1079 911 A 44 ARG HBx A 46 THR HG2% 1.0 2.0 4.5 1080 912 A 46 THR H A 44 ARG HBy 1.0 2.0 4.5 1081 912 A 44 ARG HBx A 46 THR H 1.0 2.0 4.5 1082 913 A 46 THR H A 44 ARG HGx 1.0 2.5 6.0 1083 913 A 44 ARG HGy A 46 THR H 1.0 2.5 6.0 1084 914 A 53 ILE HD1% A 44 ARG HDy 1.0 2.0 4.5 1085 914 A 44 ARG HDx A 53 ILE HD1% 1.0 2.0 4.5 1086 915 A 53 ILE HD1% A 44 ARG HGx 1.0 1.5 3.5 1087 915 A 44 ARG HGy A 53 ILE HD1% 1.0 1.5 3.5 1088 916 A 45 GLU HA A 46 THR HA 1.0 2.5 6.0 1089 917 A 46 THR HG2% A 45 GLU HA 1.0 2.5 6.0 1090 918 A 45 GLU HA A 46 THR H 1.0 1.5 3.5 1091 919 A 46 THR H A 45 GLU HBy 1.0 2.0 4.5 1092 920 A 46 THR H A 45 GLU HBx 1.0 2.0 4.5 1093 921 A 46 THR HA A 45 GLU HGx 1.0 2.5 6.0 1094 921 A 46 THR HA A 45 GLU HGy 1.0 2.5 6.0 1095 922 A 45 GLU H A 46 THR H 1.0 1.5 3.5 1096 923 A 46 THR HA A 47 PHE HBy 1.0 2.5 6.0 1097 923 A 47 PHE HBx A 46 THR HA 1.0 2.5 6.0 1098 924 A 47 PHE HD% A 46 THR HA 1.0 2.0 4.5 1099 925 A 46 THR HA A 47 PHE H 1.0 1.5 3.5 1100 926 A 47 PHE H A 46 THR HB 1.0 2.5 6.0 1101 927 A 47 PHE HA A 46 THR HG2% 1.0 2.5 6.0 1102 928 A 47 PHE HD% A 46 THR HG2% 1.0 2.5 6.0 1103 929 A 46 THR HG2% A 47 PHE H 1.0 2.5 6.0 1104 930 A 46 THR HA A 48 ILE HB 1.0 2.5 6.0 1105 931 A 46 THR HA A 48 ILE HD1% 1.0 2.5 6.0 1106 932 A 46 THR HA A 48 ILE H 1.0 2.0 4.5 1107 933 A 46 THR HG2% A 48 ILE H 1.0 2.0 4.5 1108 934 A 53 ILE HD1% A 46 THR HG2% 1.0 1.5 3.5 1109 935 A 46 THR HG2% A 53 ILE HG1x 1.0 1.5 3.5 1110 935 A 46 THR HG2% A 53 ILE HG1y 1.0 1.5 3.5 1111 936 A 47 PHE HA A 48 ILE HD1% 1.0 2.5 6.0 1112 937 A 47 PHE HA A 48 ILE H 1.0 2.0 4.5 1113 938 A 48 ILE H A 47 PHE HBy 1.0 2.0 4.5 1114 938 A 47 PHE HBx A 48 ILE H 1.0 2.0 4.5 1115 939 A 48 ILE HA A 47 PHE HD% 1.0 2.5 6.0 1116 940 A 47 PHE HD% A 48 ILE HD1% 1.0 2.0 4.5 1117 941 A 47 PHE HD% A 48 ILE H 1.0 2.5 6.0 1118 942 A 47 PHE HE% A 48 ILE HD1% 1.0 2.5 6.0 1119 943 A 47 PHE H A 48 ILE HD1% 1.0 2.5 6.0 1120 944 A 47 PHE H A 48 ILE H 1.0 1.5 3.5 1121 945 A 48 ILE HD1% A 47 PHE HZ 1.0 2.0 4.5 1122 946 A 48 ILE HA A 49 ILE H 1.0 1.5 3.5 1123 947 A 49 ILE H A 48 ILE HB 1.0 2.5 6.0 1124 948 A 49 ILE H A 48 ILE HG2% 1.0 2.0 4.5 1125 949 A 49 ILE HA A 48 ILE H 1.0 2.5 6.0 1126 950 A 49 ILE H A 48 ILE H 1.0 2.5 6.0 1127 951 A 48 ILE HG2% A 50 ASP HA 1.0 2.5 6.0 1128 952 A 48 ILE HG2% A 50 ASP HBy 1.0 2.0 4.5 1129 952 A 48 ILE HG2% A 50 ASP HBx 1.0 2.0 4.5 1130 953 A 48 ILE HG2% A 50 ASP HBy 1.0 2.0 4.5 1131 954 A 48 ILE HG2% A 50 ASP HBx 1.0 2.0 4.5 1132 955 A 48 ILE HG2% A 50 ASP H 1.0 2.5 6.0 1133 956 A 49 ILE HA A 50 ASP HA 1.0 2.5 6.0 1134 957 A 49 ILE HA A 50 ASP H 1.0 1.5 2.8 1135 958 A 49 ILE HB A 50 ASP H 1.0 2.5 6.0 1136 959 A 49 ILE HD1% A 50 ASP H 1.0 2.5 6.0 1137 960 A 50 ASP H A 49 ILE HG1x 1.0 2.5 6.0 1138 960 A 49 ILE HG1y A 50 ASP H 1.0 2.5 6.0 1139 961 A 49 ILE HG2% A 50 ASP HA 1.0 2.5 6.0 1140 962 A 49 ILE HG2% A 50 ASP H 1.0 2.0 4.5 1141 963 A 49 ILE H A 50 ASP H 1.0 2.5 6.0 1142 964 A 49 ILE HA A 53 ILE HB 1.0 2.0 4.5 1143 965 A 49 ILE HA A 53 ILE HG1x 1.0 2.0 4.5 1144 965 A 49 ILE HA A 53 ILE HG1y 1.0 2.0 4.5 1145 966 A 49 ILE HA A 53 ILE HG2% 1.0 1.5 3.5 1146 967 A 49 ILE HG2% A 53 ILE HB 1.0 2.0 4.5 1147 968 A 49 ILE HG2% A 53 ILE HG2% 1.0 2.5 6.0 1148 969 A 49 ILE HG2% A 54 ALA H 1.0 2.0 4.5 1149 970 A 50 ASP HA A 51 ASP HA 1.0 2.5 6.0 1150 971 A 50 ASP HA A 51 ASP HB3 1.0 2.5 6.0 1151 972 A 50 ASP HA A 51 ASP H 1.0 2.0 4.5 1152 973 A 51 ASP H A 50 ASP HBy 1.0 1.5 3.5 1153 973 A 50 ASP HBx A 51 ASP H 1.0 1.5 3.5 1154 974 A 50 ASP H A 51 ASP H 1.0 2.5 6.0 1155 975 A 50 ASP HA A 52 GLU H 1.0 2.5 6.0 1156 976 A 50 ASP HBx A 52 GLU HBx 1.0 2.5 6.0 1157 976 A 50 ASP HBy A 52 GLU HBx 1.0 2.5 6.0 1158 976 A 52 GLU HBy A 50 ASP HBy 1.0 2.5 6.0 1159 976 A 50 ASP HBx A 52 GLU HBy 1.0 2.5 6.0 1160 977 A 52 GLU H A 50 ASP HBy 1.0 2.5 6.0 1161 977 A 50 ASP HBx A 52 GLU H 1.0 2.5 6.0 1162 978 A 50 ASP H A 52 GLU H 1.0 2.5 6.0 1163 979 A 50 ASP HA A 53 ILE HB 1.0 2.5 6.0 1164 980 A 50 ASP HA A 53 ILE H 1.0 2.5 6.0 1165 981 A 53 ILE H A 50 ASP HBy 1.0 2.5 6.0 1166 981 A 50 ASP HBx A 53 ILE H 1.0 2.5 6.0 1167 982 A 50 ASP H A 53 ILE HA 1.0 2.5 6.0 1168 983 A 50 ASP H A 53 ILE HB 1.0 1.5 3.5 1169 984 A 50 ASP H A 53 ILE HD1% 1.0 2.0 4.5 1170 985 A 50 ASP H A 53 ILE HG1x 1.0 2.0 4.5 1171 985 A 50 ASP H A 53 ILE HG1y 1.0 2.0 4.5 1172 986 A 50 ASP H A 53 ILE HG2% 1.0 2.0 4.5 1173 987 A 50 ASP H A 53 ILE H 1.0 2.0 4.5 1174 988 A 50 ASP HA A 54 ALA HB% 1.0 2.5 6.0 1175 989 A 50 ASP H A 54 ALA H 1.0 2.0 4.5 1176 990 A 51 ASP HA A 52 GLU H 1.0 2.0 4.5 1177 991 A 51 ASP HB3 A 52 GLU H 1.0 2.0 4.5 1178 992 A 51 ASP HB2 A 52 GLU H 1.0 2.0 4.5 1179 993 A 51 ASP H A 52 GLU HBx 1.0 2.5 6.0 1180 993 A 51 ASP H A 52 GLU HBy 1.0 2.5 6.0 1181 994 A 51 ASP H A 52 GLU H 1.0 2.0 4.5 1182 995 A 51 ASP HA A 54 ALA HB% 1.0 1.5 3.5 1183 996 A 51 ASP HA A 54 ALA H 1.0 2.0 4.5 1184 997 A 54 ALA H A 51 ASP HB3 1.0 2.5 6.0 1185 998 A 51 ASP HA A 55 ASN H 1.0 2.0 4.5 1186 999 A 53 ILE H A 52 GLU HA 1.0 2.0 4.5 1187 1000 A 53 ILE H A 52 GLU HBx 1.0 1.5 3.5 1188 1000 A 53 ILE H A 52 GLU HBy 1.0 1.5 3.5 1189 1001 A 53 ILE H A 52 GLU H 1.0 1.5 3.5 1190 1002 A 54 ALA H A 52 GLU H 1.0 2.5 6.0 1191 1003 A 52 GLU HA A 55 ASN HB3 1.0 2.0 4.5 1192 1004 A 52 GLU HA A 55 ASN HB2 1.0 2.0 4.5 1193 1005 A 52 GLU HA A 55 ASN HD2y 1.0 2.5 6.0 1194 1005 A 55 ASN HD2x A 52 GLU HA 1.0 2.5 6.0 1195 1006 A 55 ASN H A 52 GLU HA 1.0 2.0 4.5 1196 1007 A 56 GLU H A 52 GLU HA 1.0 2.5 6.0 1197 1008 A 54 ALA H A 53 ILE HA 1.0 2.0 4.5 1198 1009 A 54 ALA H A 53 ILE HB 1.0 2.0 4.5 1199 1010 A 54 ALA H A 53 ILE HD1% 1.0 2.5 6.0 1200 1011 A 54 ALA H A 53 ILE HG1x 1.0 2.5 6.0 1201 1011 A 54 ALA H A 53 ILE HG1y 1.0 2.5 6.0 1202 1012 A 54 ALA H A 53 ILE HG2% 1.0 2.0 4.5 1203 1013 A 54 ALA HA A 53 ILE H 1.0 2.5 6.0 1204 1014 A 54 ALA HB% A 53 ILE H 1.0 2.0 4.5 1205 1015 A 54 ALA H A 53 ILE H 1.0 1.5 3.5 1206 1016 A 53 ILE H A 55 ASN H 1.0 2.5 6.0 1207 1017 A 53 ILE HA A 56 GLU HBx 1.0 1.5 3.5 1208 1017 A 53 ILE HA A 56 GLU HBy 1.0 1.5 3.5 1209 1018 A 53 ILE HA A 56 GLU H 1.0 2.0 4.5 1210 1019 A 57 PHE H A 53 ILE HA 1.0 2.5 6.0 1211 1020 A 57 PHE HD% A 53 ILE HG2% 1.0 2.5 6.0 1212 1021 A 57 PHE HE% A 53 ILE HG2% 1.0 2.5 6.0 1213 1022 A 53 ILE HG2% A 57 PHE H 1.0 2.5 6.0 1214 1023 A 54 ALA HA A 55 ASN H 1.0 2.5 6.0 1215 1024 A 54 ALA HB% A 55 ASN HB3 1.0 2.5 6.0 1216 1025 A 54 ALA HB% A 55 ASN HB2 1.0 2.5 6.0 1217 1026 A 54 ALA HB% A 55 ASN H 1.0 1.5 3.5 1218 1027 A 54 ALA H A 55 ASN HB3 1.0 2.5 6.0 1219 1028 A 54 ALA H A 55 ASN H 1.0 2.0 4.5 1220 1029 A 54 ALA HB% A 56 GLU H 1.0 2.5 6.0 1221 1030 A 54 ALA H A 56 GLU H 1.0 2.5 6.0 1222 1031 A 54 ALA HA A 57 PHE HB3 1.0 2.0 4.5 1223 1032 A 54 ALA HA A 57 PHE HB2 1.0 2.0 4.5 1224 1033 A 54 ALA HA A 57 PHE HD% 1.0 2.0 4.5 1225 1034 A 54 ALA HA A 57 PHE H 1.0 2.0 4.5 1226 1035 A 54 ALA HB% A 57 PHE HD% 1.0 2.5 6.0 1227 1036 A 54 ALA HA A 58 LEU H 1.0 2.5 6.0 1228 1037 A 56 GLU H A 55 ASN HA 1.0 2.0 4.5 1229 1038 A 56 GLU H A 55 ASN HB3 1.0 2.0 4.5 1230 1039 A 56 GLU H A 55 ASN H 1.0 1.5 3.5 1231 1040 A 57 PHE H A 55 ASN HA 1.0 2.5 6.0 1232 1041 A 57 PHE H A 55 ASN H 1.0 2.5 6.0 1233 1042 A 55 ASN HA A 58 LEU HB2 1.0 2.0 4.5 1234 1043 A 58 LEU HG A 55 ASN HA 1.0 2.0 4.5 1235 1044 A 55 ASN HA A 59 LYS H 1.0 2.5 6.0 1236 1045 A 57 PHE H A 56 GLU HA 1.0 2.0 4.5 1237 1046 A 57 PHE HD% A 56 GLU HBx 1.0 2.5 6.0 1238 1046 A 57 PHE HD% A 56 GLU HBy 1.0 2.5 6.0 1239 1047 A 57 PHE H A 56 GLU HBx 1.0 2.0 4.5 1240 1047 A 57 PHE H A 56 GLU HBy 1.0 2.0 4.5 1241 1048 A 57 PHE H A 56 GLU H 1.0 1.5 3.5 1242 1049 A 56 GLU HA A 59 LYS HBx 1.0 1.5 3.5 1243 1049 A 56 GLU HA A 59 LYS HBy 1.0 1.5 3.5 1244 1050 A 56 GLU HA A 59 LYS HEx 1.0 2.5 6.0 1245 1050 A 56 GLU HA A 59 LYS HEy 1.0 2.5 6.0 1246 1051 A 56 GLU HA A 59 LYS H 1.0 2.0 4.5 1247 1052 A 56 GLU HA A 60 SER H 1.0 2.5 6.0 1248 1053 A 57 PHE HB2 A 58 LEU H 1.0 2.0 4.5 1249 1054 A 57 PHE HD% A 58 LEU HA 1.0 2.0 4.5 1250 1055 A 57 PHE HD% A 58 LEU HB3 1.0 2.5 6.0 1251 1056 A 57 PHE HD% A 58 LEU HB2 1.0 2.5 6.0 1252 1057 A 57 PHE HD% A 58 LEU HG 1.0 2.0 4.5 1253 1058 A 57 PHE HD% A 58 LEU HD1% 1.0 2.5 6.0 1254 1059 A 57 PHE HD% A 58 LEU HD2% 1.0 2.0 4.5 1255 1060 A 57 PHE HD% A 58 LEU H 1.0 2.0 4.5 1256 1061 A 57 PHE HE% A 58 LEU HG 1.0 2.5 6.0 1257 1062 A 57 PHE HE% A 58 LEU HD1% 1.0 2.5 6.0 1258 1063 A 57 PHE HE% A 58 LEU HD2% 1.0 2.0 4.5 1259 1064 A 57 PHE HE% A 58 LEU H 1.0 2.5 6.0 1260 1065 A 57 PHE H A 58 LEU H 1.0 1.5 3.5 1261 1066 A 57 PHE HA A 59 LYS H 1.0 2.5 6.0 1262 1067 A 57 PHE HD% A 59 LYS H 1.0 2.5 6.0 1263 1068 A 57 PHE H A 59 LYS H 1.0 2.5 6.0 1264 1069 A 57 PHE HA A 60 SER HBx 1.0 2.0 4.5 1265 1069 A 57 PHE HA A 60 SER HBy 1.0 2.0 4.5 1266 1070 A 57 PHE HA A 60 SER H 1.0 2.5 6.0 1267 1071 A 57 PHE HD% A 60 SER HBy 1.0 2.5 6.0 1268 1072 A 57 PHE HD% A 60 SER HBx 1.0 2.5 6.0 1269 1073 A 57 PHE HD% A 60 SER H 1.0 2.5 6.0 1270 1074 A 57 PHE H A 60 SER H 1.0 2.5 6.0 1271 1075 A 57 PHE HA A 61 ILE HG1x 1.0 2.5 6.0 1272 1075 A 57 PHE HA A 61 ILE HG1y 1.0 2.5 6.0 1273 1076 A 57 PHE HD% A 61 ILE HD1% 1.0 2.0 4.5 1274 1077 A 57 PHE HD% A 61 ILE HG2% 1.0 2.5 6.0 1275 1078 A 57 PHE HE% A 61 ILE HD1% 1.0 1.5 3.5 1276 1079 A 57 PHE HE% A 61 ILE HG2% 1.0 2.0 4.5 1277 1080 A 61 ILE HD1% A 57 PHE HZ 1.0 2.0 4.5 1278 1081 A 57 PHE HZ A 61 ILE HG2% 1.0 2.0 4.5 1279 1082 A 57 PHE HD% A 63 ALA HB% 1.0 2.5 6.0 1280 1083 A 57 PHE HE% A 63 ALA HB% 1.0 2.5 6.0 1281 1084 A 58 LEU HA A 59 LYS H 1.0 2.0 4.5 1282 1085 A 59 LYS H A 58 LEU HB3 1.0 2.0 4.5 1283 1086 A 58 LEU HG A 59 LYS H 1.0 2.5 6.0 1284 1087 A 58 LEU HD1% A 59 LYS H 1.0 2.5 6.0 1285 1088 A 58 LEU HD2% A 59 LYS H 1.0 2.5 6.0 1286 1089 A 58 LEU H A 59 LYS H 1.0 2.0 4.5 1287 1090 A 58 LEU HA A 60 SER H 1.0 2.5 6.0 1288 1091 A 58 LEU HD2% A 60 SER H 1.0 2.5 6.0 1289 1092 A 58 LEU H A 60 SER H 1.0 2.5 6.0 1290 1093 A 58 LEU HA A 61 ILE HA 1.0 2.5 6.0 1291 1094 A 58 LEU HA A 61 ILE HD1% 1.0 2.0 4.5 1292 1095 A 58 LEU HA A 61 ILE HG1x 1.0 1.5 3.5 1293 1095 A 58 LEU HA A 61 ILE HG1y 1.0 1.5 3.5 1294 1096 A 58 LEU HA A 61 ILE HG2% 1.0 2.0 4.5 1295 1097 A 58 LEU HA A 61 ILE H 1.0 2.0 4.5 1296 1098 A 58 LEU HD1% A 61 ILE HD1% 1.0 2.0 4.5 1297 1099 A 58 LEU HA A 62 GLY H 1.0 2.5 6.0 1298 1100 A 58 LEU HA A 63 ALA HB% 1.0 2.0 4.5 1299 1101 A 58 LEU HA A 63 ALA H 1.0 2.0 4.5 1300 1102 A 63 ALA HB% A 58 LEU HB3 1.0 1.5 3.5 1301 1103 A 58 LEU HB3 A 63 ALA H 1.0 2.5 6.0 1302 1104 A 58 LEU HD2% A 63 ALA HA 1.0 2.5 6.0 1303 1105 A 58 LEU HD2% A 63 ALA HB% 1.0 1.5 3.5 1304 1106 A 63 ALA HB% A 58 LEU H 1.0 2.5 6.0 1305 1107 A 60 SER H A 59 LYS HA 1.0 2.0 4.5 1306 1108 A 60 SER H A 59 LYS HBx 1.0 1.5 3.5 1307 1108 A 59 LYS HBy A 60 SER H 1.0 1.5 3.5 1308 1109 A 59 LYS H A 60 SER H 1.0 1.5 3.5 1309 1110 A 61 ILE H A 59 LYS HA 1.0 2.5 6.0 1310 1111 A 61 ILE H A 59 LYS HBx 1.0 2.5 6.0 1311 1111 A 59 LYS HBy A 61 ILE H 1.0 2.5 6.0 1312 1112 A 59 LYS H A 61 ILE H 1.0 2.5 6.0 1313 1113 A 62 GLY H A 59 LYS HA 1.0 2.0 4.5 1314 1114 A 63 ALA H A 59 LYS HA 1.0 2.0 4.5 1315 1115 A 61 ILE HG2% A 60 SER HA 1.0 2.5 6.0 1316 1116 A 61 ILE H A 60 SER HA 1.0 2.5 6.0 1317 1117 A 61 ILE H A 60 SER HBx 1.0 2.5 6.0 1318 1117 A 60 SER HBy A 61 ILE H 1.0 2.5 6.0 1319 1118 A 61 ILE HG2% A 60 SER HBy 1.0 2.5 6.0 1320 1119 A 61 ILE HG2% A 60 SER HBx 1.0 2.5 6.0 1321 1120 A 61 ILE HG2% A 60 SER H 1.0 2.5 6.0 1322 1121 A 60 SER H A 61 ILE H 1.0 2.0 4.5 1323 1122 A 62 GLY H A 60 SER HA 1.0 2.5 6.0 1324 1123 A 61 ILE HA A 62 GLY H 1.0 2.0 4.5 1325 1124 A 61 ILE HB A 62 GLY H 1.0 2.0 4.5 1326 1125 A 61 ILE HD1% A 62 GLY H 1.0 2.5 6.0 1327 1126 A 62 GLY H A 61 ILE HG1x 1.0 2.0 4.5 1328 1126 A 61 ILE HG1y A 62 GLY H 1.0 2.0 4.5 1329 1127 A 61 ILE HG2% A 62 GLY H 1.0 2.5 6.0 1330 1128 A 61 ILE H A 62 GLY H 1.0 1.5 3.5 1331 1129 A 63 ALA HB% A 61 ILE HB 1.0 2.5 6.0 1332 1130 A 61 ILE HB A 63 ALA H 1.0 2.5 6.0 1333 1131 A 61 ILE HD1% A 63 ALA HB% 1.0 1.5 2.8 1334 1132 A 61 ILE HD1% A 63 ALA H 1.0 2.0 4.5 1335 1133 A 63 ALA HB% A 61 ILE HG1x 1.0 1.5 3.5 1336 1133 A 63 ALA HB% A 61 ILE HG1y 1.0 1.5 3.5 1337 1134 A 63 ALA H A 61 ILE HG1x 1.0 2.0 4.5 1338 1134 A 61 ILE HG1y A 63 ALA H 1.0 2.0 4.5 1339 1135 A 63 ALA HB% A 61 ILE HG2% 1.0 2.0 4.5 1340 1136 A 61 ILE HG2% A 63 ALA H 1.0 2.5 6.0 1341 1137 A 63 ALA HB% A 61 ILE H 1.0 2.5 6.0 1342 1138 A 61 ILE H A 63 ALA H 1.0 2.5 6.0 1343 1139 A 63 ALA H A 62 GLY HAy 1.0 2.0 4.5 1344 1140 A 63 ALA H A 62 GLY HAx 1.0 2.0 4.5 1345 1141 A 63 ALA HB% A 62 GLY H 1.0 2.5 6.0 1346 1142 A 62 GLY H A 63 ALA H 1.0 2.0 4.5 1347 1143 A 63 ALA HA A 64 GLU H 1.0 1.5 3.5 1348 1144 A 63 ALA HB% A 64 GLU H 1.0 2.0 4.5 1349 1145 A 63 ALA H A 64 GLU H 1.0 2.0 4.5 1350 1146 A 64 GLU HA A 65 VAL H 1.0 1.5 2.8 1351 1147 A 65 VAL H A 64 GLU HBx 1.0 2.5 6.0 1352 1147 A 65 VAL H A 64 GLU HBy 1.0 2.5 6.0 1353 1148 A 65 VAL H A 64 GLU HGx 1.0 2.5 6.0 1354 1148 A 65 VAL H A 64 GLU HGy 1.0 2.5 6.0 1355 1149 A 64 GLU H A 65 VAL H 1.0 2.0 4.5 1356 1150 A 65 VAL HA A 66 GLU H 1.0 1.5 3.5 1357 1151 A 66 GLU H A 65 VAL HB 1.0 2.0 4.5 1358 1152 A 66 GLU H A 65 VAL HGx% 1.0 2.0 4.5 1359 1152 A 65 VAL HGy% A 66 GLU H 1.0 2.0 4.5 1360 1153 A 65 VAL H A 66 GLU H 1.0 2.5 6.0 1361 1154 A 66 GLU H A 67 LEU H 1.0 2.0 4.5 1362 1155 A 67 LEU H A 66 GLU HA 1.0 1.5 3.5 1363 1156 A 67 LEU H A 66 GLU HBx 1.0 2.5 6.0 1364 1156 A 67 LEU H A 66 GLU HBy 1.0 2.5 6.0 1365 1157 A 67 LEU HA A 68 PRO HDy 1.0 1.5 3.5 1366 1157 A 67 LEU HA A 68 PRO HDx 1.0 1.5 3.5 1367 1158 A 67 LEU HA A 68 PRO HDy 1.0 2.0 4.5 1368 1159 A 67 LEU HA A 68 PRO HDx 1.0 2.0 4.5 1369 1160 A 67 LEU HBy A 68 PRO HDy 1.0 2.0 4.5 1370 1160 A 67 LEU HBx A 68 PRO HDy 1.0 2.0 4.5 1371 1160 A 68 PRO HDx A 67 LEU HBx 1.0 2.0 4.5 1372 1160 A 68 PRO HDx A 67 LEU HBy 1.0 2.0 4.5 1373 1161 A 67 LEU HDx% A 68 PRO HDy 1.0 2.0 4.5 1374 1161 A 67 LEU HDy% A 68 PRO HDy 1.0 2.0 4.5 1375 1161 A 68 PRO HDx A 67 LEU HDx% 1.0 2.0 4.5 1376 1161 A 68 PRO HDx A 67 LEU HDy% 1.0 2.0 4.5 1377 1162 A 67 LEU HDx% A 68 PRO HDy 1.0 2.0 4.5 1378 1162 A 67 LEU HDy% A 68 PRO HDy 1.0 2.0 4.5 1379 1163 A 68 PRO HDx A 67 LEU HDx% 1.0 2.0 4.5 1380 1163 A 68 PRO HDx A 67 LEU HDy% 1.0 2.0 4.5 1381 1164 A 67 LEU H A 68 PRO HDy 1.0 2.5 6.0 1382 1164 A 67 LEU H A 68 PRO HDx 1.0 2.5 6.0 1383 1165 A 68 PRO HA A 69 GLN H 1.0 2.0 4.5 1384 1166 A 69 GLN H A 68 PRO HBx 1.0 2.5 6.0 1385 1166 A 69 GLN H A 68 PRO HBy 1.0 2.5 6.0 1386 1167 A 69 GLN H A 68 PRO HDy 1.0 2.5 6.0 1387 1167 A 68 PRO HDx A 69 GLN H 1.0 2.5 6.0 1388 1168 A 70 GLU HA A 71 ILE H 1.0 2.0 4.5 1389 1169 A 71 ILE H A 72 LYS H 1.0 2.5 6.0 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 6 LYS N A 2 ASP O 1.0 2.5 3.5 2 2 A 6 LYS H A 2 ASP O 1.0 1.5 2.5 3 3 A 7 GLY N A 3 GLU O 1.0 2.5 3.5 4 4 A 7 GLY H A 3 GLU O 1.0 1.5 2.5 5 5 A 8 LEU N A 4 PHE O 1.0 2.5 3.5 6 6 A 8 LEU H A 4 PHE O 1.0 1.5 2.5 7 7 A 9 MET N A 5 VAL O 1.0 2.5 3.5 8 8 A 9 MET H A 5 VAL O 1.0 1.5 2.5 9 9 A 11 ASN N A 8 LEU O 1.0 2.5 3.5 10 10 A 11 ASN H A 8 LEU O 1.0 1.5 2.5 11 11 A 8 LEU O A 13 TYR N 1.0 2.5 3.5 12 12 A 13 TYR H A 8 LEU O 1.0 1.5 2.5 13 13 A 19 ALA N A 16 THR O 1.0 2.5 3.5 14 14 A 19 ALA H A 16 THR O 1.0 1.5 2.5 15 15 A 16 THR O A 20 TYR N 1.0 2.5 3.5 16 16 A 20 TYR H A 16 THR O 1.0 1.5 2.5 17 17 A 21 TYR N A 17 PRO O 1.0 2.5 3.5 18 18 A 21 TYR H A 17 PRO O 1.0 1.5 2.5 19 19 A 22 LEU N A 19 ALA O 1.0 2.5 3.5 20 20 A 22 LEU H A 19 ALA O 1.0 1.5 2.5 21 21 A 19 ALA O A 23 LEU N 1.0 2.5 3.5 22 22 A 23 LEU H A 19 ALA O 1.0 1.5 2.5 23 23 A 24 VAL N A 20 TYR O 1.0 2.5 3.5 24 24 A 24 VAL H A 20 TYR O 1.0 1.5 2.5 25 25 A 27 PHE N A 23 LEU O 1.0 2.5 3.5 26 26 A 27 PHE H A 23 LEU O 1.0 1.5 2.5 27 27 A 29 GLU N A 25 GLY O 1.0 2.5 3.5 28 28 A 29 GLU H A 25 GLY O 1.0 1.5 2.5 29 29 A 32 PHE N A 26 HIS O 1.0 2.5 3.5 30 30 A 32 PHE H A 26 HIS O 1.0 1.5 2.5 31 31 A 36 GLU N A 33 SER O 1.0 2.5 3.5 32 32 A 36 GLU H A 33 SER O 1.0 1.5 2.5 33 33 A 33 SER O A 37 LEU N 1.0 2.5 3.5 34 34 A 37 LEU H A 33 SER O 1.0 1.5 2.5 35 35 A 38 ILE N A 34 LEU O 1.0 2.5 3.5 36 36 A 38 ILE H A 34 LEU O 1.0 1.5 2.5 37 37 A 39 LYS N A 35 ILE O 1.0 2.5 3.5 38 38 A 39 LYS H A 35 ILE O 1.0 1.5 2.5 39 39 A 40 PHE N A 36 GLU O 1.0 2.5 3.5 40 40 A 40 PHE H A 36 GLU O 1.0 1.5 2.5 41 41 A 41 ALA N A 37 LEU O 1.0 2.5 3.5 42 42 A 41 ALA H A 37 LEU O 1.0 1.5 2.5 43 43 A 42 LYS N A 38 ILE O 1.0 2.5 3.5 44 44 A 42 LYS H A 38 ILE O 1.0 1.5 2.5 45 45 A 44 ARG N A 41 ALA O 1.0 2.5 3.5 46 46 A 44 ARG H A 41 ALA O 1.0 1.5 2.5 47 47 A 41 ALA O A 46 THR N 1.0 2.5 3.5 48 48 A 46 THR H A 41 ALA O 1.0 1.5 2.5 49 49 A 14 LEU N A 47 PHE O 1.0 2.5 3.5 50 50 A 14 LEU H A 47 PHE O 1.0 1.5 2.5 51 51 A 16 THR N A 49 ILE O 1.0 2.5 3.5 52 52 A 16 THR H A 49 ILE O 1.0 1.5 2.5 53 53 A 49 ILE N A 14 LEU O 1.0 2.5 3.5 54 54 A 49 ILE H A 14 LEU O 1.0 1.5 2.5 55 55 A 53 ILE N A 50 ASP O 1.0 2.5 3.5 56 56 A 53 ILE H A 50 ASP O 1.0 1.5 2.5 57 57 A 50 ASP O A 54 ALA N 1.0 2.5 3.5 58 58 A 54 ALA H A 50 ASP O 1.0 1.5 2.5 59 59 A 55 ASN N A 51 ASP O 1.0 2.5 3.5 60 60 A 55 ASN H A 51 ASP O 1.0 1.5 2.5 61 61 A 56 GLU N A 52 GLU O 1.0 2.5 3.5 62 62 A 56 GLU H A 52 GLU O 1.0 1.5 2.5 63 63 A 57 PHE N A 53 ILE O 1.0 2.5 3.5 64 64 A 57 PHE H A 53 ILE O 1.0 1.5 2.5 65 65 A 58 LEU N A 54 ALA O 1.0 2.5 3.5 66 66 A 58 LEU H A 54 ALA O 1.0 1.5 2.5 67 67 A 59 LYS N A 55 ASN O 1.0 2.5 3.5 68 68 A 59 LYS H A 55 ASN O 1.0 1.5 2.5 69 69 A 60 SER N A 56 GLU O 1.0 2.5 3.5 70 70 A 60 SER H A 56 GLU O 1.0 1.5 2.5 71 71 A 61 ILE N A 57 PHE O 1.0 2.5 3.5 72 72 A 61 ILE H A 57 PHE O 1.0 1.5 2.5 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 3 GLU C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -100.0 -30.0 PHI 2 2 A 5 VAL C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -100.0 -30.0 PHI 3 3 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -100.0 -30.0 PHI 4 4 A 8 LEU C A 9 MET N A 9 MET CA A 9 MET C 1.0 -100.0 -30.0 PHI 5 5 A 9 MET C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -100.0 -30.0 PHI 6 6 A 10 LYS C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -170.0 -70.0 PHI 7 7 A 12 GLY C A 13 TYR N A 13 TYR CA A 13 TYR C 1.0 -170.0 -70.0 PHI 8 8 A 13 TYR C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -170.0 -70.0 PHI 9 9 A 17 PRO C A 18 SER N A 18 SER CA A 18 SER C 1.0 -100.0 -30.0 PHI 10 10 A 18 SER C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -100.0 -30.0 PHI 11 11 A 20 TYR C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -100.0 -30.0 PHI 12 12 A 21 TYR C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -100.0 -30.0 PHI 13 13 A 22 LEU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -100.0 -30.0 PHI 14 14 A 23 LEU C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -100.0 -30.0 PHI 15 15 A 25 GLY C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -100.0 -30.0 PHI 16 16 A 26 HIS C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -100.0 -30.0 PHI 17 17 A 27 PHE C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -100.0 -30.0 PHI 18 18 A 28 ASN C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -170.0 -30.0 PHI 19 19 A 30 GLY C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -100.0 -30.0 PHI 20 20 A 32 PHE C A 33 SER N A 33 SER CA A 33 SER C 1.0 -170.0 -70.0 PHI 21 21 A 33 SER C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -100.0 -30.0 PHI 22 22 A 34 LEU C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -100.0 -30.0 PHI 23 23 A 35 ILE C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -100.0 -30.0 PHI 24 24 A 36 GLU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -100.0 -30.0 PHI 25 25 A 37 LEU C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -100.0 -30.0 PHI 26 26 A 38 ILE C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -100.0 -30.0 PHI 27 27 A 39 LYS C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -100.0 -30.0 PHI 28 28 A 40 PHE C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -100.0 -30.0 PHI 29 29 A 41 ALA C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -100.0 -30.0 PHI 30 30 A 42 LYS C A 43 SER N A 43 SER CA A 43 SER C 1.0 -100.0 -30.0 PHI 31 31 A 43 SER C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -170.0 -70.0 PHI 32 32 A 45 GLU C A 46 THR N A 46 THR CA A 46 THR C 1.0 -170.0 -70.0 PHI 33 33 A 47 PHE C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -170.0 -70.0 PHI 34 34 A 48 ILE C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -170.0 -70.0 PHI 35 35 A 49 ILE C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -170.0 -70.0 PHI 36 36 A 50 ASP C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -100.0 -30.0 PHI 37 37 A 51 ASP C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -100.0 -30.0 PHI 38 38 A 52 GLU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -100.0 -30.0 PHI 39 39 A 53 ILE C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -100.0 -30.0 PHI 40 40 A 54 ALA C A 55 ASN N A 55 ASN CA A 55 ASN C 1.0 -100.0 -30.0 PHI 41 41 A 55 ASN C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -100.0 -30.0 PHI 42 42 A 56 GLU C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -100.0 -30.0 PHI 43 43 A 57 PHE C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -100.0 -30.0 PHI 44 44 A 58 LEU C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -100.0 -30.0 PHI 45 45 A 59 LYS C A 60 SER N A 60 SER CA A 60 SER C 1.0 -100.0 -30.0 PHI 46 46 A 60 SER C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -170.0 -30.0 PHI 47 47 A 62 GLY C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -170.0 -70.0 PHI 48 48 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 -100.0 -20.0 CHI1 49 49 A 4 PHE N A 4 PHE CA A 4 PHE CB A 4 PHE CG 1.0 140.0 220.0 CHI1 50 50 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -100.0 -20.0 CHI1 51 51 A 10 LYS N A 10 LYS CA A 10 LYS CB A 10 LYS CG 1.0 -100.0 -20.0 CHI1 52 52 A 11 ASN N A 11 ASN CA A 11 ASN CB A 11 ASN CG 1.0 -100.0 -20.0 CHI1 53 53 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 -100.0 -20.0 CHI1 54 54 A 20 TYR N A 20 TYR CA A 20 TYR CB A 20 TYR CG 1.0 140.0 220.0 CHI1 55 55 A 21 TYR N A 21 TYR CA A 21 TYR CB A 21 TYR CG 1.0 -100.0 -20.0 CHI1 56 56 A 22 LEU N A 22 LEU CA A 22 LEU CB A 22 LEU CG 1.0 -100.0 -20.0 CHI1 57 57 A 24 VAL N A 24 VAL CA A 24 VAL CB A 24 VAL CG1 1.0 20.0 100.0 CHI1 58 58 A 26 HIS N A 26 HIS CA A 26 HIS CB A 26 HIS CG 1.0 140.0 220.0 CHI1 59 59 A 27 PHE N A 27 PHE CA A 27 PHE CB A 27 PHE CG 1.0 140.0 220.0 CHI1 60 60 A 34 LEU N A 34 LEU CA A 34 LEU CB A 34 LEU CG 1.0 -100.0 -20.0 CHI1 61 61 A 36 GLU N A 36 GLU CA A 36 GLU CB A 36 GLU CG 1.0 -100.0 -20.0 CHI1 62 62 A 40 PHE N A 40 PHE CA A 40 PHE CB A 40 PHE CG 1.0 140.0 220.0 CHI1 63 63 A 51 ASP N A 51 ASP CA A 51 ASP CB A 51 ASP CG 1.0 140.0 220.0 CHI1 64 64 A 55 ASN N A 55 ASN CA A 55 ASN CB A 55 ASN CG 1.0 140.0 220.0 CHI1 65 65 A 57 PHE N A 57 PHE CA A 57 PHE CB A 57 PHE CG 1.0 140.0 220.0 CHI1 66 66 A 58 LEU N A 58 LEU CA A 58 LEU CB A 58 LEU CG 1.0 -100.0 -20.0 CHI1 67 67 A 8 LEU CA A 8 LEU CB A 8 LEU CG A 8 LEU CD1 1.0 140.0 220.0 CHI2 68 68 A 58 LEU CA A 58 LEU CB A 58 LEU CG A 58 LEU CD1 1.0 140.0 220.0 CHI2 stop_ save_