data_nef_c18880_2m1u save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 SER middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 PRO middle . false 17 A 17 ARG middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 HIS middle . . 21 A 21 MET middle . . 22 A 22 SER middle . . 23 A 23 ASP middle . . 24 A 24 GLU middle . . 25 A 25 LYS middle . . 26 A 26 THR middle . . 27 A 27 GLN middle . . 28 A 28 LEU middle . . 29 A 29 ILE middle . . 30 A 30 GLU middle . . 31 A 31 ALA middle . . 32 A 32 PHE middle . . 33 A 33 TYR middle . . 34 A 34 ASN middle . . 35 A 35 PHE middle . . 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 ASP middle . . 39 A 39 TYR middle . . 40 A 40 ASP middle . . 41 A 41 GLY middle . false 42 A 42 PHE middle . . 43 A 43 VAL middle . . 44 A 44 SER middle . . 45 A 45 VAL middle . . 46 A 46 GLU middle . . 47 A 47 GLU middle . . 48 A 48 PHE middle . . 49 A 49 ARG middle . . 50 A 50 GLY middle . false 51 A 51 ILE middle . . 52 A 52 ILE middle . . 53 A 53 ARG middle . . 54 A 54 ASP middle . . 55 A 55 GLY middle . false 56 A 56 LEU middle . . 57 A 57 PRO middle . false 58 A 58 MET middle . . 59 A 59 THR middle . . 60 A 60 GLU middle . . 61 A 61 ALA middle . . 62 A 62 GLU middle . . 63 A 63 ILE middle . . 64 A 64 THR middle . . 65 A 65 GLU middle . . 66 A 66 PHE middle . . 67 A 67 PHE middle . . 68 A 68 GLU middle . . 69 A 69 ALA middle . . 70 A 70 ALA middle . . 71 A 71 ASP middle . . 72 A 72 PRO middle . false 73 A 73 ASN middle . . 74 A 74 ASN middle . . 75 A 75 THR middle . . 76 A 76 GLY middle . false 77 A 77 PHE middle . . 78 A 78 ILE middle . . 79 A 79 ASP middle . . 80 A 80 TYR middle . . 81 A 81 LYS middle . . 82 A 82 ALA middle . . 83 A 83 PHE middle . . 84 A 84 ALA middle . . 85 A 85 ALA middle . . 86 A 86 MET middle . . 87 A 87 LEU middle . . 88 A 88 TYR middle . . 89 A 89 SER middle . . 90 A 90 VAL middle . . 91 A 91 ASP middle . . 92 A 92 GLU middle . . 93 A 93 SER 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 10 HIS C C 13 176.04 0.30 A 11 SER H H 1 8.36 0.02 A 11 SER HA H 1 4.43 0.02 A 11 SER HBx H 1 3.83 0.02 A 11 SER HBy H 1 3.83 0.02 A 11 SER C C 13 174.63 0.30 A 11 SER CA C 13 58.35 0.30 A 11 SER CB C 13 64.12 0.30 A 11 SER N N 15 116.84 0.30 A 12 SER H H 1 8.49 0.02 A 12 SER HA H 1 4.44 0.02 A 12 SER HBx H 1 3.89 0.02 A 12 SER HBy H 1 3.89 0.02 A 12 SER C C 13 174.88 0.30 A 12 SER CA C 13 58.68 0.30 A 12 SER CB C 13 63.89 0.30 A 12 SER N N 15 118.03 0.30 A 13 GLY H H 1 8.39 0.02 A 13 GLY HAx H 1 3.93 0.02 A 13 GLY HAy H 1 3.93 0.02 A 13 GLY C C 13 173.79 0.30 A 13 GLY CA C 13 45.46 0.30 A 13 GLY N N 15 110.45 0.30 A 14 LEU H H 1 8.02 0.02 A 14 LEU HA H 1 4.34 0.02 A 14 LEU HBx H 1 1.49 0.02 A 14 LEU HBy H 1 1.55 0.02 A 14 LEU HDx% H 1 0.76 0.02 A 14 LEU HDy% H 1 0.81 0.02 A 14 LEU HG H 1 1.51 0.02 A 14 LEU C C 13 176.93 0.30 A 14 LEU CA C 13 55.20 0.30 A 14 LEU CB C 13 42.60 0.30 A 14 LEU CD1 C 13 23.47 0.30 A 14 LEU CD2 C 13 25.50 0.30 A 14 LEU CG C 13 26.52 0.30 A 14 LEU N N 15 121.31 0.30 A 15 VAL H H 1 8.03 0.02 A 15 VAL HA H 1 4.37 0.02 A 15 VAL HB H 1 2.02 0.02 A 15 VAL HGx% H 1 0.87 0.02 A 15 VAL HGy% H 1 0.90 0.02 A 15 VAL CA C 13 59.72 0.30 A 15 VAL CB C 13 32.77 0.30 A 15 VAL CG1 C 13 20.93 0.30 A 15 VAL CG2 C 13 21.43 0.30 A 15 VAL N N 15 121.55 0.30 A 16 PRO HA H 1 4.37 0.02 A 16 PRO HBx H 1 1.84 0.02 A 16 PRO HBy H 1 2.21 0.02 A 16 PRO HDx H 1 3.57 0.02 A 16 PRO HDy H 1 3.79 0.02 A 16 PRO HGx H 1 1.84 0.02 A 16 PRO HGy H 1 1.97 0.02 A 16 PRO C C 13 176.72 0.30 A 16 PRO CA C 13 62.65 0.30 A 16 PRO CB C 13 32.24 0.30 A 16 PRO CD C 13 50.97 0.30 A 16 PRO CG C 13 27.54 0.30 A 17 ARG H H 1 8.45 0.02 A 17 ARG HA H 1 4.28 0.02 A 17 ARG HBx H 1 1.75 0.02 A 17 ARG HBy H 1 1.83 0.02 A 17 ARG HDx H 1 3.15 0.02 A 17 ARG HDy H 1 3.15 0.02 A 17 ARG HGx H 1 1.62 0.02 A 17 ARG HGy H 1 1.67 0.02 A 17 ARG C C 13 176.94 0.30 A 17 ARG CA C 13 56.36 0.30 A 17 ARG CB C 13 31.05 0.30 A 17 ARG CD C 13 43.20 0.30 A 17 ARG CG C 13 27.29 0.30 A 17 ARG N N 15 121.89 0.30 A 18 GLY H H 1 8.48 0.02 A 18 GLY HAx H 1 3.96 0.02 A 18 GLY HAy H 1 3.96 0.02 A 18 GLY C C 13 174.11 0.30 A 18 GLY CA C 13 45.39 0.30 A 18 GLY N N 15 110.16 0.30 A 19 SER H H 1 8.21 0.02 A 19 SER HA H 1 4.40 0.02 A 19 SER HBx H 1 3.81 0.02 A 19 SER HBy H 1 3.81 0.02 A 19 SER C C 13 174.38 0.30 A 19 SER CA C 13 58.61 0.30 A 19 SER CB C 13 63.83 0.30 A 19 SER N N 15 115.50 0.30 A 20 HIS H H 1 8.59 0.02 A 20 HIS HA H 1 4.61 0.02 A 20 HIS HBx H 1 2.68 0.02 A 20 HIS HBy H 1 2.68 0.02 A 20 HIS C C 13 174.87 0.30 A 20 HIS CA C 13 56.13 0.30 A 20 HIS CB C 13 29.71 0.30 A 20 HIS N N 15 120.77 0.30 A 21 MET H H 1 8.31 0.02 A 21 MET HA H 1 4.47 0.02 A 21 MET HBx H 1 1.94 0.02 A 21 MET HBy H 1 2.04 0.02 A 21 MET HGx H 1 2.41 0.02 A 21 MET HGy H 1 2.47 0.02 A 21 MET C C 13 176.03 0.30 A 21 MET CA C 13 55.49 0.30 A 21 MET CB C 13 33.17 0.30 A 21 MET CG C 13 32.01 0.30 A 21 MET N N 15 121.44 0.30 A 22 SER H H 1 8.34 0.02 A 22 SER HA H 1 4.43 0.02 A 22 SER HBx H 1 3.88 0.02 A 22 SER HBy H 1 4.01 0.02 A 22 SER C C 13 174.63 0.30 A 22 SER CA C 13 58.41 0.30 A 22 SER CB C 13 64.03 0.30 A 22 SER N N 15 116.86 0.30 A 23 ASP H H 1 8.54 0.02 A 23 ASP HA H 1 4.55 0.02 A 23 ASP HBx H 1 2.71 0.02 A 23 ASP HBy H 1 2.71 0.02 A 23 ASP C C 13 176.86 0.30 A 23 ASP CA C 13 55.33 0.30 A 23 ASP CB C 13 41.00 0.30 A 23 ASP N N 15 122.66 0.30 A 24 GLU H H 1 8.61 0.02 A 24 GLU HA H 1 4.14 0.02 A 24 GLU HBx H 1 2.03 0.02 A 24 GLU HBy H 1 2.03 0.02 A 24 GLU HGx H 1 2.30 0.02 A 24 GLU HGy H 1 2.30 0.02 A 24 GLU C C 13 177.54 0.30 A 24 GLU CA C 13 58.36 0.30 A 24 GLU CB C 13 29.75 0.30 A 24 GLU CG C 13 36.46 0.30 A 24 GLU N N 15 120.40 0.30 A 25 LYS H H 1 8.21 0.02 A 25 LYS HA H 1 4.19 0.02 A 25 LYS HBx H 1 1.87 0.02 A 25 LYS HBy H 1 1.87 0.02 A 25 LYS HDx H 1 1.67 0.02 A 25 LYS HDy H 1 1.67 0.02 A 25 LYS HEx H 1 2.95 0.02 A 25 LYS HEy H 1 2.95 0.02 A 25 LYS HGx H 1 1.41 0.02 A 25 LYS HGy H 1 1.48 0.02 A 25 LYS C C 13 177.49 0.30 A 25 LYS CA C 13 58.11 0.30 A 25 LYS CB C 13 32.49 0.30 A 25 LYS CD C 13 29.20 0.30 A 25 LYS CE C 13 42.30 0.30 A 25 LYS CG C 13 25.24 0.30 A 25 LYS N N 15 120.39 0.30 A 26 THR H H 1 8.08 0.02 A 26 THR HA H 1 4.04 0.02 A 26 THR HB H 1 4.23 0.02 A 26 THR HG2% H 1 1.20 0.02 A 26 THR C C 13 175.43 0.30 A 26 THR CA C 13 64.62 0.30 A 26 THR CB C 13 69.11 0.30 A 26 THR CG2 C 13 21.99 0.30 A 26 THR N N 15 114.88 0.30 A 27 GLN H H 1 8.24 0.02 A 27 GLN HA H 1 4.19 0.02 A 27 GLN HBx H 1 2.08 0.02 A 27 GLN HBy H 1 2.08 0.02 A 27 GLN HE2x H 1 6.82 0.02 A 27 GLN HE2y H 1 7.48 0.02 A 27 GLN HGx H 1 2.36 0.02 A 27 GLN HGy H 1 2.41 0.02 A 27 GLN C C 13 177.28 0.30 A 27 GLN CA C 13 57.55 0.30 A 27 GLN CB C 13 29.09 0.30 A 27 GLN CG C 13 34.16 0.30 A 27 GLN N N 15 120.94 0.30 A 27 GLN NE2 N 15 111.81 0.30 A 28 LEU H H 1 7.95 0.02 A 28 LEU HA H 1 4.17 0.02 A 28 LEU HBx H 1 1.60 0.02 A 28 LEU HBy H 1 1.71 0.02 A 28 LEU HDx% H 1 0.78 0.02 A 28 LEU HDy% H 1 0.81 0.02 A 28 LEU HG H 1 1.60 0.02 A 28 LEU C C 13 177.75 0.30 A 28 LEU CA C 13 57.08 0.30 A 28 LEU CB C 13 42.27 0.30 A 28 LEU CD1 C 13 24.49 0.30 A 28 LEU CD2 C 13 25.00 0.30 A 28 LEU CG C 13 27.54 0.30 A 28 LEU N N 15 121.86 0.30 A 29 ILE H H 1 7.95 0.02 A 29 ILE HA H 1 3.90 0.02 A 29 ILE HB H 1 1.89 0.02 A 29 ILE HD1% H 1 0.79 0.02 A 29 ILE HG12 H 1 1.11 0.02 A 29 ILE HG13 H 1 1.54 0.02 A 29 ILE HG2% H 1 0.90 0.02 A 29 ILE C C 13 177.14 0.30 A 29 ILE CA C 13 63.30 0.30 A 29 ILE CB C 13 38.28 0.30 A 29 ILE CD1 C 13 13.80 0.30 A 29 ILE CG1 C 13 28.56 0.30 A 29 ILE CG2 C 13 18.13 0.30 A 29 ILE N N 15 119.26 0.30 A 30 GLU H H 1 8.22 0.02 A 30 GLU HA H 1 4.05 0.02 A 30 GLU HBx H 1 1.94 0.02 A 30 GLU HBy H 1 1.94 0.02 A 30 GLU HGx H 1 2.24 0.02 A 30 GLU HGy H 1 2.32 0.02 A 30 GLU C C 13 177.56 0.30 A 30 GLU CA C 13 58.09 0.30 A 30 GLU CB C 13 29.59 0.30 A 30 GLU CG C 13 36.54 0.30 A 30 GLU N N 15 120.50 0.30 A 31 ALA H H 1 7.89 0.02 A 31 ALA HA H 1 4.15 0.02 A 31 ALA HB% H 1 1.30 0.02 A 31 ALA C C 13 178.55 0.30 A 31 ALA CA C 13 53.80 0.30 A 31 ALA CB C 13 18.63 0.30 A 31 ALA N N 15 121.55 0.30 A 32 PHE H H 1 7.93 0.02 A 32 PHE HA H 1 4.30 0.02 A 32 PHE HBx H 1 2.91 0.02 A 32 PHE HBy H 1 2.91 0.02 A 32 PHE HDx H 1 6.95 0.02 A 32 PHE C C 13 176.21 0.30 A 32 PHE CA C 13 59.34 0.30 A 32 PHE CB C 13 39.75 0.30 A 32 PHE CDx C 13 131.77 0.30 A 32 PHE N N 15 117.24 0.30 A 33 TYR H H 1 7.95 0.02 A 33 TYR HA H 1 4.33 0.02 A 33 TYR HBx H 1 2.84 0.02 A 33 TYR HBy H 1 2.90 0.02 A 33 TYR HDx H 1 7.01 0.02 A 33 TYR HEx H 1 6.72 0.02 A 33 TYR C C 13 175.68 0.30 A 33 TYR CA C 13 58.92 0.30 A 33 TYR CB C 13 38.54 0.30 A 33 TYR CDx C 13 133.17 0.30 A 33 TYR N N 15 119.05 0.30 A 34 ASN H H 1 7.96 0.02 A 34 ASN HA H 1 4.63 0.02 A 34 ASN HBx H 1 2.62 0.02 A 34 ASN HBy H 1 2.75 0.02 A 34 ASN HD2x H 1 6.89 0.02 A 34 ASN HD2y H 1 7.50 0.02 A 34 ASN C C 13 174.81 0.30 A 34 ASN CA C 13 53.15 0.30 A 34 ASN CB C 13 38.98 0.30 A 34 ASN N N 15 118.39 0.30 A 34 ASN ND2 N 15 112.53 0.30 A 35 PHE H H 1 7.83 0.02 A 35 PHE HA H 1 4.45 0.02 A 35 PHE HBx H 1 2.98 0.02 A 35 PHE HBy H 1 3.05 0.02 A 35 PHE HDx H 1 7.09 0.02 A 35 PHE C C 13 175.31 0.30 A 35 PHE CA C 13 58.32 0.30 A 35 PHE CB C 13 39.42 0.30 A 35 PHE CDx C 13 131.91 0.30 A 35 PHE N N 15 120.67 0.30 A 36 ASP H H 1 8.18 0.02 A 36 ASP HA H 1 4.59 0.02 A 36 ASP HBx H 1 2.59 0.02 A 36 ASP HBy H 1 2.66 0.02 A 36 ASP C C 13 176.15 0.30 A 36 ASP CA C 13 54.07 0.30 A 36 ASP CB C 13 41.32 0.30 A 36 ASP N N 15 122.40 0.30 A 37 GLY H H 1 7.68 0.02 A 37 GLY HAx H 1 3.81 0.02 A 37 GLY HAy H 1 3.81 0.02 A 37 GLY C C 13 173.66 0.30 A 37 GLY CA C 13 45.61 0.30 A 37 GLY N N 15 108.56 0.30 A 38 ASP H H 1 8.22 0.02 A 38 ASP HA H 1 4.60 0.02 A 38 ASP HBx H 1 2.48 0.02 A 38 ASP HBy H 1 2.62 0.02 A 38 ASP CA C 13 54.26 0.30 A 38 ASP CB C 13 41.45 0.30 A 38 ASP N N 15 120.01 0.30 A 39 TYR H H 1 8.09 0.02 A 39 TYR HA H 1 4.39 0.02 A 39 TYR HBx H 1 2.79 0.02 A 39 TYR HBy H 1 2.79 0.02 A 39 TYR HDx H 1 6.90 0.02 A 39 TYR HEx H 1 6.67 0.02 A 39 TYR C C 13 175.29 0.30 A 39 TYR CA C 13 58.20 0.30 A 39 TYR CB C 13 39.17 0.30 A 39 TYR CDx C 13 133.24 0.30 A 39 TYR CEx C 13 127.50 0.30 A 39 TYR N N 15 121.03 0.30 A 40 ASP H H 1 8.20 0.02 A 40 ASP HA H 1 4.60 0.02 A 40 ASP HBx H 1 2.62 0.02 A 40 ASP HBy H 1 2.62 0.02 A 40 ASP C C 13 175.97 0.30 A 40 ASP CA C 13 54.22 0.30 A 40 ASP CB C 13 41.52 0.30 A 40 ASP N N 15 122.02 0.30 A 41 GLY H H 1 7.83 0.02 A 41 GLY HAx H 1 3.71 0.02 A 41 GLY HAy H 1 3.87 0.02 A 41 GLY C C 13 173.00 0.30 A 41 GLY CA C 13 45.42 0.30 A 41 GLY N N 15 108.33 0.30 A 42 PHE H H 1 8.15 0.02 A 42 PHE HA H 1 5.26 0.02 A 42 PHE HBx H 1 2.92 0.02 A 42 PHE HBy H 1 2.92 0.02 A 42 PHE HDx H 1 7.01 0.02 A 42 PHE HEx H 1 7.28 0.02 A 42 PHE C C 13 175.66 0.30 A 42 PHE CA C 13 57.16 0.30 A 42 PHE CB C 13 41.17 0.30 A 42 PHE CDx C 13 131.62 0.30 A 42 PHE CEx C 13 131.56 0.30 A 42 PHE N N 15 118.60 0.30 A 43 VAL H H 1 9.07 0.02 A 43 VAL HA H 1 4.67 0.02 A 43 VAL HB H 1 2.04 0.02 A 43 VAL HGx% H 1 0.80 0.02 A 43 VAL HGy% H 1 0.80 0.02 A 43 VAL C C 13 175.11 0.30 A 43 VAL CA C 13 60.62 0.30 A 43 VAL CB C 13 32.88 0.30 A 43 VAL CG1 C 13 20.80 0.30 A 43 VAL CG2 C 13 21.39 0.30 A 43 VAL N N 15 119.18 0.30 A 44 SER H H 1 9.14 0.02 A 44 SER HA H 1 4.57 0.02 A 44 SER HBx H 1 3.95 0.02 A 44 SER HBy H 1 4.12 0.02 A 44 SER C C 13 175.66 0.30 A 44 SER CA C 13 57.72 0.30 A 44 SER CB C 13 63.69 0.30 A 44 SER N N 15 121.38 0.30 A 45 VAL H H 1 8.14 0.02 A 45 VAL HA H 1 3.50 0.02 A 45 VAL HB H 1 1.60 0.02 A 45 VAL HGx% H 1 0.41 0.02 A 45 VAL HGy% H 1 0.67 0.02 A 45 VAL C C 13 177.24 0.30 A 45 VAL CA C 13 66.27 0.30 A 45 VAL CB C 13 31.45 0.30 A 45 VAL CG1 C 13 20.42 0.30 A 45 VAL CG2 C 13 21.43 0.30 A 45 VAL N N 15 122.72 0.30 A 46 GLU H H 1 8.23 0.02 A 46 GLU HA H 1 3.98 0.02 A 46 GLU HBx H 1 1.94 0.02 A 46 GLU HBy H 1 1.94 0.02 A 46 GLU HGx H 1 2.25 0.02 A 46 GLU HGy H 1 2.25 0.02 A 46 GLU C C 13 179.46 0.30 A 46 GLU CA C 13 59.56 0.30 A 46 GLU CB C 13 29.16 0.30 A 46 GLU CG C 13 36.21 0.30 A 46 GLU N N 15 118.99 0.30 A 47 GLU H H 1 7.88 0.02 A 47 GLU HA H 1 4.08 0.02 A 47 GLU HBx H 1 2.02 0.02 A 47 GLU HBy H 1 2.20 0.02 A 47 GLU HGx H 1 2.25 0.02 A 47 GLU HGy H 1 2.33 0.02 A 47 GLU C C 13 179.17 0.30 A 47 GLU CA C 13 58.89 0.30 A 47 GLU CB C 13 29.82 0.30 A 47 GLU CG C 13 37.46 0.30 A 47 GLU N N 15 120.12 0.30 A 48 PHE H H 1 8.60 0.02 A 48 PHE HA H 1 4.19 0.02 A 48 PHE HBx H 1 3.13 0.02 A 48 PHE HBy H 1 3.20 0.02 A 48 PHE HDx H 1 7.03 0.02 A 48 PHE HEx H 1 6.88 0.02 A 48 PHE C C 13 176.92 0.30 A 48 PHE CA C 13 60.87 0.30 A 48 PHE CB C 13 39.26 0.30 A 48 PHE CDx C 13 131.13 0.30 A 48 PHE CEx C 13 131.13 0.30 A 48 PHE N N 15 120.83 0.30 A 49 ARG H H 1 8.65 0.02 A 49 ARG HA H 1 3.86 0.02 A 49 ARG HBx H 1 1.83 0.02 A 49 ARG HBy H 1 1.85 0.02 A 49 ARG HDx H 1 3.09 0.02 A 49 ARG HDy H 1 3.16 0.02 A 49 ARG HE H 1 7.42 0.02 A 49 ARG HGx H 1 1.54 0.02 A 49 ARG HGy H 1 1.71 0.02 A 49 ARG C C 13 178.09 0.30 A 49 ARG CA C 13 60.07 0.30 A 49 ARG CB C 13 30.14 0.30 A 49 ARG CD C 13 43.57 0.30 A 49 ARG CG C 13 28.51 0.30 A 49 ARG N N 15 118.47 0.30 A 49 ARG NE N 15 106.66 0.30 A 50 GLY H H 1 7.62 0.02 A 50 GLY HAx H 1 3.82 0.02 A 50 GLY HAy H 1 3.87 0.02 A 50 GLY C C 13 175.09 0.30 A 50 GLY CA C 13 46.68 0.30 A 50 GLY N N 15 105.08 0.30 A 51 ILE H H 1 7.47 0.02 A 51 ILE HA H 1 3.83 0.02 A 51 ILE HB H 1 1.75 0.02 A 51 ILE HD1% H 1 0.64 0.02 A 51 ILE HG12 H 1 1.04 0.02 A 51 ILE HG13 H 1 1.55 0.02 A 51 ILE HG2% H 1 0.69 0.02 A 51 ILE C C 13 178.30 0.30 A 51 ILE CA C 13 63.84 0.30 A 51 ILE CB C 13 38.31 0.30 A 51 ILE CD1 C 13 13.80 0.30 A 51 ILE CG1 C 13 28.56 0.30 A 51 ILE CG2 C 13 17.62 0.30 A 51 ILE N N 15 121.44 0.30 A 52 ILE H H 1 7.79 0.02 A 52 ILE HA H 1 3.74 0.02 A 52 ILE HB H 1 1.79 0.02 A 52 ILE HD1% H 1 0.55 0.02 A 52 ILE HG12 H 1 0.92 0.02 A 52 ILE HG13 H 1 1.27 0.02 A 52 ILE HG2% H 1 0.71 0.02 A 52 ILE CA C 13 63.76 0.30 A 52 ILE CB C 13 38.03 0.30 A 52 ILE CD1 C 13 13.29 0.30 A 52 ILE CG1 C 13 27.80 0.30 A 52 ILE CG2 C 13 18.38 0.30 A 52 ILE N N 15 118.93 0.30 A 53 ARG H H 1 7.93 0.02 A 53 ARG HA H 1 4.09 0.02 A 53 ARG HBx H 1 1.86 0.02 A 53 ARG HBy H 1 1.86 0.02 A 53 ARG HDx H 1 3.16 0.02 A 53 ARG HDy H 1 3.16 0.02 A 53 ARG HGx H 1 1.56 0.02 A 53 ARG HGy H 1 1.77 0.02 A 53 ARG C C 13 177.38 0.30 A 53 ARG CA C 13 60.11 0.30 A 53 ARG CB C 13 29.58 0.30 A 53 ARG CD C 13 43.57 0.30 A 53 ARG CG C 13 27.32 0.30 A 53 ARG N N 15 120.14 0.30 A 54 ASP H H 1 7.87 0.02 A 54 ASP HA H 1 4.60 0.02 A 54 ASP HBx H 1 2.64 0.02 A 54 ASP HBy H 1 2.73 0.02 A 54 ASP C C 13 176.93 0.30 A 54 ASP CA C 13 55.54 0.30 A 54 ASP CB C 13 41.10 0.30 A 54 ASP N N 15 117.50 0.30 A 55 GLY H H 1 7.88 0.02 A 55 GLY HAx H 1 3.82 0.02 A 55 GLY HAy H 1 4.11 0.02 A 55 GLY C C 13 173.46 0.30 A 55 GLY CA C 13 46.00 0.30 A 55 GLY N N 15 106.37 0.30 A 56 LEU H H 1 8.22 0.02 A 56 LEU HA H 1 4.77 0.02 A 56 LEU HBx H 1 1.43 0.02 A 56 LEU HBy H 1 1.60 0.02 A 56 LEU HDx% H 1 0.82 0.02 A 56 LEU HDy% H 1 0.84 0.02 A 56 LEU HG H 1 1.54 0.02 A 56 LEU CA C 13 52.49 0.30 A 56 LEU CB C 13 43.12 0.30 A 56 LEU CD1 C 13 26.01 0.30 A 56 LEU CD2 C 13 26.01 0.30 A 56 LEU CG C 13 28.16 0.30 A 56 LEU N N 15 122.63 0.30 A 57 PRO HA H 1 4.58 0.02 A 57 PRO HBx H 1 2.01 0.02 A 57 PRO HBy H 1 2.11 0.02 A 57 PRO HDx H 1 3.53 0.02 A 57 PRO HDy H 1 3.71 0.02 A 57 PRO HGx H 1 1.96 0.02 A 57 PRO HGy H 1 2.02 0.02 A 57 PRO C C 13 176.15 0.30 A 57 PRO CA C 13 62.42 0.30 A 57 PRO CB C 13 30.74 0.30 A 57 PRO CD C 13 50.17 0.30 A 57 PRO CG C 13 27.34 0.30 A 58 MET H H 1 7.69 0.02 A 58 MET HA H 1 4.63 0.02 A 58 MET HBx H 1 1.61 0.02 A 58 MET HBy H 1 2.09 0.02 A 58 MET HE% H 1 1.73 0.02 A 58 MET HGx H 1 2.33 0.02 A 58 MET HGy H 1 2.44 0.02 A 58 MET C C 13 176.15 0.30 A 58 MET CA C 13 55.56 0.30 A 58 MET CB C 13 36.82 0.30 A 58 MET CE C 13 17.009 0.30 A 58 MET CG C 13 32.70 0.30 A 58 MET N N 15 121.81 0.30 A 59 THR H H 1 8.94 0.02 A 59 THR HA H 1 4.45 0.02 A 59 THR HB H 1 4.70 0.02 A 59 THR HG2% H 1 1.33 0.02 A 59 THR C C 13 175.17 0.30 A 59 THR CA C 13 60.78 0.30 A 59 THR CB C 13 71.06 0.30 A 59 THR CG2 C 13 21.88 0.30 A 59 THR N N 15 114.18 0.30 A 60 GLU H H 1 8.85 0.02 A 60 GLU HA H 1 4.01 0.02 A 60 GLU HBx H 1 2.05 0.02 A 60 GLU HBy H 1 2.05 0.02 A 60 GLU HGx H 1 2.35 0.02 A 60 GLU HGy H 1 2.35 0.02 A 60 GLU C C 13 179.01 0.30 A 60 GLU CA C 13 59.82 0.30 A 60 GLU CB C 13 29.05 0.30 A 60 GLU CG C 13 36.09 0.30 A 60 GLU N N 15 120.62 0.30 A 61 ALA H H 1 8.37 0.02 A 61 ALA HA H 1 4.14 0.02 A 61 ALA HB% H 1 1.41 0.02 A 61 ALA C C 13 180.35 0.30 A 61 ALA CA C 13 55.09 0.30 A 61 ALA CB C 13 18.21 0.30 A 61 ALA N N 15 121.08 0.30 A 62 GLU H H 1 7.68 0.02 A 62 GLU HA H 1 4.00 0.02 A 62 GLU HBx H 1 1.91 0.02 A 62 GLU HBy H 1 2.35 0.02 A 62 GLU HGx H 1 2.28 0.02 A 62 GLU HGy H 1 2.31 0.02 A 62 GLU C C 13 179.69 0.30 A 62 GLU CA C 13 58.99 0.30 A 62 GLU CB C 13 30.31 0.30 A 62 GLU CG C 13 37.59 0.30 A 62 GLU N N 15 118.89 0.30 A 63 ILE H H 1 8.42 0.02 A 63 ILE HA H 1 3.57 0.02 A 63 ILE HB H 1 1.98 0.02 A 63 ILE HD1% H 1 0.79 0.02 A 63 ILE HG12 H 1 0.86 0.02 A 63 ILE HG13 H 1 1.75 0.02 A 63 ILE HG2% H 1 0.86 0.02 A 63 ILE C C 13 177.26 0.30 A 63 ILE CA C 13 65.89 0.30 A 63 ILE CB C 13 37.98 0.30 A 63 ILE CD1 C 13 14.06 0.30 A 63 ILE CG1 C 13 29.66 0.30 A 63 ILE CG2 C 13 18.13 0.30 A 63 ILE N N 15 122.34 0.30 A 64 THR H H 1 8.31 0.02 A 64 THR HA H 1 3.94 0.02 A 64 THR HB H 1 4.30 0.02 A 64 THR HG2% H 1 1.25 0.02 A 64 THR C C 13 176.52 0.30 A 64 THR CA C 13 67.06 0.30 A 64 THR CB C 13 68.75 0.30 A 64 THR CG2 C 13 21.55 0.30 A 64 THR N N 15 116.97 0.30 A 65 GLU H H 1 7.97 0.02 A 65 GLU HA H 1 4.03 0.02 A 65 GLU HBx H 1 2.05 0.02 A 65 GLU HBy H 1 2.09 0.02 A 65 GLU HGx H 1 2.23 0.02 A 65 GLU HGy H 1 2.42 0.02 A 65 GLU C C 13 175.83 0.30 A 65 GLU CA C 13 59.50 0.30 A 65 GLU CB C 13 29.77 0.30 A 65 GLU CG C 13 36.42 0.30 A 65 GLU N N 15 120.76 0.30 A 66 PHE H H 1 8.10 0.02 A 66 PHE HA H 1 4.24 0.02 A 66 PHE HBx H 1 3.06 0.02 A 66 PHE HBy H 1 3.11 0.02 A 66 PHE HDx H 1 6.69 0.02 A 66 PHE HEx H 1 6.90 0.02 A 66 PHE C C 13 177.33 0.30 A 66 PHE CA C 13 61.20 0.30 A 66 PHE CB C 13 38.53 0.30 A 66 PHE CDx C 13 131.84 0.30 A 66 PHE N N 15 120.94 0.30 A 67 PHE H H 1 8.38 0.02 A 67 PHE HA H 1 3.95 0.02 A 67 PHE HBx H 1 3.13 0.02 A 67 PHE HBy H 1 3.23 0.02 A 67 PHE HDx H 1 7.18 0.02 A 67 PHE HEx H 1 7.07 0.02 A 67 PHE C C 13 178.09 0.30 A 67 PHE CA C 13 61.20 0.30 A 67 PHE CB C 13 38.25 0.30 A 67 PHE CDx C 13 131.41 0.30 A 67 PHE N N 15 118.11 0.30 A 68 GLU H H 1 8.23 0.02 A 68 GLU HA H 1 4.01 0.02 A 68 GLU HBx H 1 1.97 0.02 A 68 GLU HBy H 1 2.10 0.02 A 68 GLU HGx H 1 2.24 0.02 A 68 GLU HGy H 1 2.53 0.02 A 68 GLU C C 13 177.91 0.30 A 68 GLU CA C 13 59.24 0.30 A 68 GLU CB C 13 29.37 0.30 A 68 GLU CG C 13 36.92 0.30 A 68 GLU N N 15 119.65 0.30 A 69 ALA H H 1 7.34 0.02 A 69 ALA HA H 1 4.18 0.02 A 69 ALA HB% H 1 1.39 0.02 A 69 ALA C C 13 179.03 0.30 A 69 ALA CA C 13 53.60 0.30 A 69 ALA CB C 13 18.78 0.30 A 69 ALA N N 15 119.09 0.30 A 70 ALA H H 1 8.05 0.02 A 70 ALA HA H 1 4.02 0.02 A 70 ALA HB% H 1 0.80 0.02 A 70 ALA C C 13 176.82 0.30 A 70 ALA CA C 13 53.09 0.30 A 70 ALA CB C 13 19.61 0.30 A 70 ALA N N 15 118.67 0.30 A 71 ASP H H 1 8.01 0.02 A 71 ASP HA H 1 5.22 0.02 A 71 ASP HBx H 1 2.26 0.02 A 71 ASP HBy H 1 2.76 0.02 A 71 ASP CA C 13 52.15 0.30 A 71 ASP CB C 13 40.91 0.30 A 71 ASP N N 15 116.78 0.30 A 72 PRO HA H 1 4.47 0.02 A 72 PRO HBx H 1 1.92 0.02 A 72 PRO HBy H 1 2.37 0.02 A 72 PRO HDx H 1 3.34 0.02 A 72 PRO HDy H 1 3.71 0.02 A 72 PRO HGx H 1 1.87 0.02 A 72 PRO HGy H 1 2.04 0.02 A 72 PRO C C 13 177.97 0.30 A 72 PRO CA C 13 64.91 0.30 A 72 PRO CB C 13 31.88 0.30 A 72 PRO CD C 13 50.69 0.30 A 72 PRO CG C 13 27.54 0.30 A 73 ASN H H 1 9.03 0.02 A 73 ASN HA H 1 4.88 0.02 A 73 ASN HBx H 1 2.75 0.02 A 73 ASN HBy H 1 2.94 0.02 A 73 ASN HD2x H 1 7.00 0.02 A 73 ASN HD2y H 1 7.50 0.02 A 73 ASN C C 13 174.88 0.30 A 73 ASN CA C 13 52.84 0.30 A 73 ASN CB C 13 38.38 0.30 A 73 ASN N N 15 114.93 0.30 A 73 ASN ND2 N 15 113.77 0.30 A 74 ASN H H 1 8.32 0.02 A 74 ASN HA H 1 4.36 0.02 A 74 ASN HBx H 1 2.67 0.02 A 74 ASN HBy H 1 2.98 0.02 A 74 ASN HD2x H 1 6.79 0.02 A 74 ASN HD2y H 1 7.53 0.02 A 74 ASN CA C 13 54.59 0.30 A 74 ASN CB C 13 37.16 0.30 A 74 ASN N N 15 118.34 0.30 A 74 ASN ND2 N 15 112.53 0.30 A 75 THR H H 1 9.87 0.02 A 75 THR HA H 1 4.21 0.02 A 75 THR HB H 1 4.31 0.02 A 75 THR HG2% H 1 1.30 0.02 A 75 THR CA C 13 63.41 0.30 A 75 THR CB C 13 70.54 0.30 A 75 THR CG2 C 13 22.45 0.30 A 75 THR N N 15 113.45 0.30 A 76 GLY H H 1 10.25 0.02 A 76 GLY HAx H 1 3.37 0.02 A 76 GLY HAy H 1 4.04 0.02 A 76 GLY C C 13 173.67 0.30 A 76 GLY CA C 13 45.12 0.30 A 76 GLY N N 15 111.81 0.30 A 77 PHE H H 1 8.11 0.02 A 77 PHE HA H 1 5.15 0.02 A 77 PHE HBx H 1 2.63 0.02 A 77 PHE HBy H 1 2.85 0.02 A 77 PHE HDx H 1 6.89 0.02 A 77 PHE HEx H 1 7.02 0.02 A 77 PHE CA C 13 57.18 0.30 A 77 PHE CB C 13 43.50 0.30 A 77 PHE CDx C 13 131.98 0.30 A 77 PHE N N 15 120.56 0.30 A 78 ILE H H 1 8.93 0.02 A 78 ILE HA H 1 4.39 0.02 A 78 ILE HB H 1 1.68 0.02 A 78 ILE HD1% H 1 0.48 0.02 A 78 ILE HG12 H 1 0.86 0.02 A 78 ILE HG13 H 1 1.26 0.02 A 78 ILE HG2% H 1 0.61 0.02 A 78 ILE C C 13 174.77 0.30 A 78 ILE CA C 13 59.19 0.30 A 78 ILE CB C 13 41.18 0.30 A 78 ILE CD1 C 13 13.80 0.30 A 78 ILE CG1 C 13 26.78 0.30 A 78 ILE CG2 C 13 18.18 0.30 A 78 ILE N N 15 116.41 0.30 A 79 ASP H H 1 8.61 0.02 A 79 ASP HA H 1 4.50 0.02 A 79 ASP HBx H 1 2.58 0.02 A 79 ASP HBy H 1 2.79 0.02 A 79 ASP C C 13 176.49 0.30 A 79 ASP CA C 13 53.31 0.30 A 79 ASP CB C 13 41.37 0.30 A 79 ASP N N 15 125.22 0.30 A 80 TYR H H 1 8.46 0.02 A 80 TYR HA H 1 3.99 0.02 A 80 TYR HBx H 1 2.92 0.02 A 80 TYR HBy H 1 2.92 0.02 A 80 TYR HDx H 1 6.86 0.02 A 80 TYR HEx H 1 6.71 0.02 A 80 TYR C C 13 177.14 0.30 A 80 TYR CA C 13 61.58 0.30 A 80 TYR CB C 13 38.89 0.30 A 80 TYR CDx C 13 132.96 0.30 A 80 TYR CEx C 13 127.12 0.30 A 80 TYR N N 15 125.76 0.30 A 81 LYS H H 1 8.41 0.02 A 81 LYS HA H 1 3.90 0.02 A 81 LYS HBx H 1 1.81 0.02 A 81 LYS HBy H 1 1.89 0.02 A 81 LYS HDx H 1 1.71 0.02 A 81 LYS HDy H 1 1.71 0.02 A 81 LYS HEx H 1 3.00 0.02 A 81 LYS HEy H 1 3.00 0.02 A 81 LYS HGx H 1 1.39 0.02 A 81 LYS HGy H 1 1.49 0.02 A 81 LYS C C 13 179.09 0.30 A 81 LYS CA C 13 59.58 0.30 A 81 LYS CB C 13 31.76 0.30 A 81 LYS CD C 13 29.18 0.30 A 81 LYS CE C 13 41.79 0.30 A 81 LYS CG C 13 25.27 0.30 A 81 LYS N N 15 118.32 0.30 A 82 ALA H H 1 7.77 0.02 A 82 ALA HA H 1 4.13 0.02 A 82 ALA HB% H 1 1.46 0.02 A 82 ALA C C 13 179.74 0.30 A 82 ALA CA C 13 54.52 0.30 A 82 ALA CB C 13 18.54 0.30 A 82 ALA N N 15 122.05 0.30 A 83 PHE H H 1 7.78 0.02 A 83 PHE HA H 1 4.29 0.02 A 83 PHE HBx H 1 2.91 0.02 A 83 PHE HBy H 1 3.04 0.02 A 83 PHE HDx H 1 6.93 0.02 A 83 PHE HEx H 1 6.76 0.02 A 83 PHE C C 13 176.46 0.30 A 83 PHE CA C 13 60.03 0.30 A 83 PHE CB C 13 39.52 0.30 A 83 PHE CDx C 13 131.77 0.30 A 83 PHE N N 15 117.81 0.30 A 84 ALA H H 1 8.29 0.02 A 84 ALA HA H 1 3.66 0.02 A 84 ALA HB% H 1 1.29 0.02 A 84 ALA C C 13 179.01 0.30 A 84 ALA CA C 13 55.03 0.30 A 84 ALA CB C 13 18.13 0.30 A 84 ALA N N 15 121.53 0.30 A 85 ALA H H 1 7.70 0.02 A 85 ALA HA H 1 4.08 0.02 A 85 ALA HB% H 1 1.42 0.02 A 85 ALA C C 13 179.57 0.30 A 85 ALA CA C 13 54.37 0.30 A 85 ALA CB C 13 18.29 0.30 A 85 ALA N N 15 117.72 0.30 A 86 MET H H 1 7.56 0.02 A 86 MET HA H 1 4.16 0.02 A 86 MET HBx H 1 2.01 0.02 A 86 MET HBy H 1 2.04 0.02 A 86 MET HE% H 1 1.71 0.02 A 86 MET HGx H 1 2.38 0.02 A 86 MET HGy H 1 2.43 0.02 A 86 MET C C 13 177.36 0.30 A 86 MET CA C 13 57.38 0.30 A 86 MET CB C 13 32.72 0.30 A 86 MET CE C 13 21.165 0.30 A 86 MET CG C 13 31.87 0.30 A 86 MET N N 15 116.57 0.30 A 87 LEU H H 1 7.57 0.02 A 87 LEU HA H 1 3.97 0.02 A 87 LEU HBx H 1 1.08 0.02 A 87 LEU HBy H 1 1.29 0.02 A 87 LEU HDx% H 1 0.51 0.02 A 87 LEU HDy% H 1 0.53 0.02 A 87 LEU HG H 1 1.23 0.02 A 87 LEU C C 13 177.42 0.30 A 87 LEU CA C 13 56.29 0.30 A 87 LEU CB C 13 42.28 0.30 A 87 LEU CD1 C 13 23.47 0.30 A 87 LEU CD2 C 13 25.25 0.30 A 87 LEU CG C 13 26.78 0.30 A 87 LEU N N 15 119.09 0.30 A 88 TYR H H 1 7.74 0.02 A 88 TYR HA H 1 4.59 0.02 A 88 TYR HBx H 1 2.84 0.02 A 88 TYR HBy H 1 3.09 0.02 A 88 TYR HDx H 1 7.09 0.02 A 88 TYR HEx H 1 6.76 0.02 A 88 TYR C C 13 175.87 0.30 A 88 TYR CA C 13 57.84 0.30 A 88 TYR CB C 13 38.64 0.30 A 88 TYR CDx C 13 133.17 0.30 A 88 TYR N N 15 117.06 0.30 A 89 SER H H 1 7.88 0.02 A 89 SER HA H 1 4.44 0.02 A 89 SER HBx H 1 3.88 0.02 A 89 SER HBy H 1 3.88 0.02 A 89 SER C C 13 174.46 0.30 A 89 SER CA C 13 58.35 0.30 A 89 SER CB C 13 63.99 0.30 A 89 SER N N 15 115.98 0.30 A 90 VAL H H 1 8.02 0.02 A 90 VAL HA H 1 4.14 0.02 A 90 VAL HB H 1 2.08 0.02 A 90 VAL HGx% H 1 0.90 0.02 A 90 VAL HGy% H 1 0.90 0.02 A 90 VAL C C 13 175.72 0.30 A 90 VAL CA C 13 62.27 0.30 A 90 VAL CB C 13 32.84 0.30 A 90 VAL CG1 C 13 20.93 0.30 A 90 VAL CG2 C 13 20.93 0.30 A 90 VAL N N 15 120.91 0.30 A 91 ASP H H 1 8.31 0.02 A 91 ASP HA H 1 4.63 0.02 A 91 ASP HBx H 1 2.58 0.02 A 91 ASP HBy H 1 2.71 0.02 A 91 ASP C C 13 176.00 0.30 A 91 ASP CA C 13 54.51 0.30 A 91 ASP CB C 13 41.44 0.30 A 91 ASP N N 15 123.62 0.30 A 92 GLU H H 1 8.32 0.02 A 92 GLU HA H 1 4.36 0.02 A 92 GLU HBx H 1 2.11 0.02 A 92 GLU HBy H 1 2.11 0.02 A 92 GLU HGx H 1 2.26 0.02 A 92 GLU HGy H 1 2.26 0.02 A 92 GLU C C 13 175.66 0.30 A 92 GLU CA C 13 56.49 0.30 A 92 GLU CB C 13 32.85 0.30 A 92 GLU CG C 13 36.30 0.30 A 92 GLU N N 15 122.17 0.30 A 93 SER H H 1 8.03 0.02 A 93 SER HA H 1 4.21 0.02 A 93 SER HBx H 1 3.85 0.02 A 93 SER HBy H 1 3.85 0.02 A 93 SER CA C 13 60.33 0.30 A 93 SER CB C 13 64.33 0.30 A 93 SER N N 15 122.66 0.30 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 80 TYR H A 79 ASP HA 1.0 1.8 3.0 2 2 A 79 ASP H A 78 ILE HA 1.0 1.8 3.0 3 3 A 91 ASP H A 90 VAL HA 1.0 1.8 3.0 4 4 A 45 VAL H A 44 SER HBx 1.0 1.8 3.0 5 4 A 45 VAL H A 44 SER HBy 1.0 1.8 3.0 6 5 A 23 ASP H A 22 SER HA 1.0 1.8 3.0 7 6 A 56 LEU H A 55 GLY H 1.0 1.8 3.0 8 7 A 36 ASP H A 35 PHE H 1.0 1.8 3.0 9 8 A 36 ASP H A 37 GLY H 1.0 1.8 3.0 10 9 A 36 ASP H A 35 PHE HA 1.0 1.8 3.0 11 10 A 63 ILE H A 64 THR H 1.0 1.8 3.0 12 11 A 63 ILE H A 62 GLU H 1.0 1.8 3.0 13 12 A 63 ILE H A 62 GLU HGx 1.0 1.8 3.0 14 12 A 63 ILE H A 62 GLU HGy 1.0 1.8 3.0 15 13 A 92 GLU H A 91 ASP HA 1.0 1.8 3.0 16 14 A 82 ALA H A 81 LYS H 1.0 1.8 3.0 17 15 A 82 ALA H A 81 LYS HBx 1.0 1.8 5.0 18 15 A 82 ALA H A 81 LYS HBy 1.0 1.8 5.0 19 16 A 28 LEU H A 27 GLN H 1.0 1.8 3.0 20 17 A 84 ALA H A 83 PHE H 1.0 1.8 3.0 21 18 A 84 ALA H A 83 PHE HBx 1.0 1.8 3.0 22 18 A 84 ALA H A 83 PHE HBy 1.0 1.8 3.0 23 19 A 31 ALA H A 30 GLU H 1.0 1.8 3.0 24 20 A 31 ALA H A 30 GLU HA 1.0 1.8 3.0 25 21 A 51 ILE H A 52 ILE H 1.0 1.8 3.0 26 22 A 61 ALA H A 60 GLU H 1.0 1.8 3.0 27 23 A 62 GLU H A 61 ALA H 1.0 1.8 3.0 28 24 A 61 ALA H A 59 THR HB 1.0 1.8 3.0 29 25 A 61 ALA H A 60 GLU HA 1.0 1.8 5.0 30 26 A 61 ALA H A 60 GLU HBx 1.0 1.8 3.0 31 26 A 61 ALA H A 60 GLU HBy 1.0 1.8 3.0 32 27 A 90 VAL H A 89 SER HA 1.0 1.8 3.0 33 28 A 90 VAL H A 89 SER HBx 1.0 1.8 5.0 34 28 A 90 VAL H A 89 SER HBy 1.0 1.8 5.0 35 29 A 66 PHE H A 67 PHE H 1.0 1.8 3.0 36 30 A 66 PHE H A 65 GLU H 1.0 1.8 3.0 37 31 A 66 PHE H A 65 GLU HBx 1.0 1.8 3.0 38 31 A 66 PHE H A 65 GLU HBy 1.0 1.8 3.0 39 32 A 39 TYR H A 38 ASP HA 1.0 1.8 3.0 40 33 A 90 VAL H A 89 SER H 1.0 1.8 5.0 41 34 A 30 GLU H A 29 ILE H 1.0 1.8 3.0 42 35 A 30 GLU H A 29 ILE HA 1.0 1.8 3.0 43 36 A 66 PHE H A 65 GLU HA 1.0 1.8 3.0 44 37 A 64 THR H A 65 GLU H 1.0 1.8 3.0 45 38 A 66 PHE H A 65 GLU H 1.0 1.8 3.0 46 39 A 65 GLU H A 64 THR HB 1.0 1.8 3.0 47 40 A 65 GLU H A 64 THR HG2% 1.0 1.8 5.0 48 41 A 35 PHE H A 34 ASN HA 1.0 1.8 3.0 49 42 A 61 ALA H A 60 GLU H 1.0 1.8 3.0 50 43 A 60 GLU H A 59 THR HB 1.0 1.8 3.0 51 44 A 60 GLU H A 59 THR HA 1.0 1.8 3.0 52 45 A 60 GLU H A 59 THR HG2% 1.0 1.8 5.0 53 46 A 24 GLU H A 25 LYS H 1.0 1.8 3.0 54 47 A 24 GLU H A 23 ASP HA 1.0 1.8 3.0 55 48 A 24 GLU H A 23 ASP HBx 1.0 1.8 3.0 56 48 A 24 GLU H A 23 ASP HBy 1.0 1.8 3.0 57 49 A 24 GLU H A 23 ASP HBx 1.0 1.8 3.0 58 49 A 24 GLU H A 23 ASP HBy 1.0 1.8 3.0 59 50 A 77 PHE H A 76 GLY H 1.0 1.8 5.0 60 51 A 25 LYS H A 26 THR H 1.0 1.8 3.0 61 52 A 52 ILE H A 53 ARG H 1.0 1.8 5.0 62 53 A 47 GLU H A 48 PHE H 1.0 1.8 5.0 63 54 A 47 GLU H A 46 GLU H 1.0 1.8 3.0 64 55 A 37 GLY H A 38 ASP H 1.0 1.8 3.0 65 56 A 38 ASP H A 37 GLY HAx 1.0 1.8 3.0 66 56 A 38 ASP H A 37 GLY HAy 1.0 1.8 3.0 67 57 A 68 GLU H A 67 PHE HBx 1.0 1.8 5.0 68 57 A 68 GLU H A 67 PHE HBy 1.0 1.8 5.0 69 58 A 30 GLU H A 29 ILE H 1.0 1.8 3.0 70 59 A 29 ILE H A 28 LEU HBx 1.0 1.8 3.0 71 59 A 29 ILE H A 28 LEU HBy 1.0 1.8 3.0 72 60 A 29 ILE H A 28 LEU HA 1.0 1.8 3.0 73 61 A 29 ILE H A 28 LEU HBx 1.0 1.8 5.0 74 61 A 29 ILE H A 28 LEU HBy 1.0 1.8 5.0 75 62 A 87 LEU H A 88 TYR H 1.0 1.8 3.0 76 63 A 87 LEU H A 86 MET HA 1.0 1.8 5.0 77 64 A 87 LEU H A 86 MET HBx 1.0 1.8 3.0 78 64 A 87 LEU H A 86 MET HBy 1.0 1.8 3.0 79 65 A 68 GLU H A 69 ALA H 1.0 1.8 5.0 80 66 A 69 ALA H A 70 ALA H 1.0 1.8 3.0 81 67 A 62 GLU H A 61 ALA HB% 1.0 1.8 3.0 82 68 A 42 PHE H A 41 GLY H 1.0 1.8 5.0 83 69 A 42 PHE H A 41 GLY HAx 1.0 1.8 3.0 84 69 A 42 PHE H A 41 GLY HAy 1.0 1.8 3.0 85 70 A 42 PHE H A 41 GLY HAx 1.0 1.8 3.0 86 70 A 42 PHE H A 41 GLY HAy 1.0 1.8 3.0 87 71 A 70 ALA H A 69 ALA HA 1.0 1.8 3.0 88 72 A 70 ALA H A 69 ALA HB% 1.0 1.8 3.0 89 73 A 69 ALA H A 70 ALA H 1.0 1.8 3.0 90 74 A 34 ASN H A 33 TYR HA 1.0 1.8 3.0 91 75 A 82 ALA H A 81 LYS H 1.0 1.8 3.0 92 76 A 74 ASN H A 73 ASN H 1.0 1.8 3.0 93 77 A 67 PHE H A 66 PHE HBx 1.0 1.8 3.0 94 77 A 67 PHE H A 66 PHE HBy 1.0 1.8 3.0 95 78 A 84 ALA H A 83 PHE H 1.0 1.8 3.0 96 79 A 83 PHE H A 82 ALA HB% 1.0 1.8 3.0 97 80 A 84 ALA H A 85 ALA H 1.0 1.8 3.0 98 81 A 85 ALA H A 86 MET H 1.0 1.8 3.0 99 82 A 85 ALA H A 84 ALA HB% 1.0 1.8 3.0 100 83 A 32 PHE H A 31 ALA HB% 1.0 1.8 3.0 101 84 A 88 TYR H A 87 LEU HA 1.0 1.8 3.0 102 85 A 88 TYR H A 87 LEU HBx 1.0 1.8 3.0 103 85 A 88 TYR H A 87 LEU HBy 1.0 1.8 3.0 104 86 A 64 THR H A 65 GLU H 1.0 1.8 3.0 105 87 A 64 THR H A 63 ILE HB 1.0 1.8 3.0 106 88 A 64 THR H A 63 ILE HG2% 1.0 1.8 5.0 107 89 A 87 LEU H A 86 MET H 1.0 1.8 3.0 108 90 A 86 MET H A 85 ALA HB% 1.0 1.8 3.0 109 91 A 89 SER H A 88 TYR H 1.0 1.8 3.0 110 92 A 89 SER H A 88 TYR HA 1.0 1.8 3.0 111 93 A 26 THR H A 25 LYS HBx 1.0 1.8 3.0 112 93 A 26 THR H A 25 LYS HBy 1.0 1.8 3.0 113 94 A 74 ASN H A 73 ASN H 1.0 1.8 3.0 114 95 A 59 THR H A 58 MET HA 1.0 1.8 3.0 115 96 A 59 THR H A 58 MET HGx 1.0 1.8 3.0 116 96 A 59 THR H A 58 MET HGy 1.0 1.8 3.0 117 97 A 37 GLY H A 38 ASP H 1.0 1.8 3.0 118 98 A 37 GLY H A 36 ASP HA 1.0 1.8 3.0 119 99 A 56 LEU H A 55 GLY H 1.0 1.8 3.0 120 100 A 50 GLY H A 49 ARG H 1.0 1.8 5.0 121 101 A 50 GLY H A 49 ARG HBx 1.0 1.8 3.0 122 101 A 50 GLY H A 49 ARG HBy 1.0 1.8 3.0 123 102 A 80 TYR H A 43 VAL HGx% 1.0 1.8 5.0 124 103 A 80 TYR H A 79 ASP HBx 1.0 1.8 5.0 125 103 A 80 TYR H A 79 ASP HBy 1.0 1.8 5.0 126 104 A 80 TYR H A 42 PHE HA 1.0 1.8 5.0 127 105 A 80 TYR H A 83 PHE H 1.0 1.8 5.0 128 106 A 80 TYR H A 42 PHE HD% 1.0 1.8 6.0 129 107 A 79 ASP H A 78 ILE HD1% 1.0 1.8 6.0 130 108 A 79 ASP H A 78 ILE HG2% 1.0 1.8 5.0 131 109 A 79 ASP H A 78 ILE HG13 1.0 1.8 5.0 132 110 A 79 ASP H A 82 ALA HB% 1.0 1.8 5.0 133 111 A 79 ASP H A 78 ILE HB 1.0 1.8 5.0 134 112 A 79 ASP H A 78 ILE HG12 1.0 1.8 6.0 135 113 A 79 ASP H A 42 PHE HD% 1.0 1.8 6.0 136 114 A 79 ASP H A 42 PHE HE% 1.0 1.8 6.0 137 115 A 79 ASP H A 83 PHE H 1.0 1.8 6.0 138 116 A 91 ASP H A 90 VAL HB 1.0 1.8 5.0 139 117 A 91 ASP H A 89 SER HBx 1.0 1.8 6.0 140 117 A 91 ASP H A 89 SER HBy 1.0 1.8 6.0 141 118 A 51 ILE H A 50 GLY H 1.0 1.8 3.0 142 119 A 50 GLY H A 49 ARG HGx 1.0 1.8 5.0 143 119 A 50 GLY H A 49 ARG HGy 1.0 1.8 5.0 144 120 A 50 GLY H A 49 ARG HDx 1.0 1.8 6.0 145 120 A 50 GLY H A 49 ARG HDy 1.0 1.8 6.0 146 121 A 50 GLY H A 47 GLU HA 1.0 1.8 5.0 147 122 A 50 GLY H A 48 PHE HA 1.0 1.8 6.0 148 123 A 55 GLY H A 54 ASP HA 1.0 1.8 5.0 149 124 A 55 GLY H A 54 ASP HBx 1.0 1.8 5.0 150 124 A 55 GLY H A 54 ASP HBy 1.0 1.8 5.0 151 125 A 55 GLY H A 52 ILE HG2% 1.0 1.8 5.0 152 126 A 49 ARG HE A 45 VAL HGx% 1.0 1.8 6.0 153 127 A 42 PHE H A 41 GLY H 1.0 1.8 5.0 154 128 A 41 GLY H A 40 ASP HBx 1.0 1.8 6.0 155 128 A 41 GLY H A 40 ASP HBy 1.0 1.8 6.0 156 129 A 41 GLY H A 40 ASP HA 1.0 1.8 5.0 157 130 A 37 GLY H A 35 PHE HA 1.0 1.8 6.0 158 131 A 37 GLY H A 36 ASP HBx 1.0 1.8 5.0 159 131 A 37 GLY H A 36 ASP HBy 1.0 1.8 5.0 160 132 A 59 THR H A 58 MET H 1.0 1.8 5.0 161 133 A 63 ILE H A 59 THR H 1.0 1.8 6.0 162 134 A 59 THR H A 58 MET HBx 1.0 1.8 5.0 163 134 A 59 THR H A 58 MET HBy 1.0 1.8 5.0 164 135 A 59 THR H A 62 GLU HBx 1.0 1.8 5.0 165 135 A 59 THR H A 62 GLU HBy 1.0 1.8 5.0 166 136 A 59 THR H A 58 MET HBx 1.0 1.8 5.0 167 136 A 59 THR H A 58 MET HBy 1.0 1.8 5.0 168 137 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 5.0 169 137 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 5.0 170 137 A 72 PRO HGx A 73 ASN HD2x 1.0 1.8 5.0 171 137 A 72 PRO HGy A 73 ASN HD2x 1.0 1.8 5.0 172 138 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 5.0 173 138 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 5.0 174 139 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 6.0 175 139 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 6.0 176 139 A 72 PRO HGx A 73 ASN HD2x 1.0 1.8 6.0 177 139 A 72 PRO HGy A 73 ASN HD2x 1.0 1.8 6.0 178 140 A 73 ASN HD2y A 75 THR HG2% 1.0 1.8 5.0 179 141 A 75 THR HG2% A 73 ASN HD2x 1.0 1.8 6.0 180 141 A 73 ASN HD2y A 75 THR HG2% 1.0 1.8 6.0 181 142 A 73 ASN H A 75 THR HG2% 1.0 1.8 5.0 182 143 A 73 ASN H A 72 PRO HGx 1.0 1.8 5.0 183 143 A 73 ASN H A 72 PRO HGy 1.0 1.8 5.0 184 144 A 73 ASN H A 72 PRO HGx 1.0 1.8 5.0 185 144 A 73 ASN H A 72 PRO HGy 1.0 1.8 5.0 186 145 A 73 ASN H A 72 PRO HBx 1.0 1.8 6.0 187 145 A 73 ASN H A 72 PRO HBy 1.0 1.8 6.0 188 146 A 73 ASN H A 72 PRO HDx 1.0 1.8 5.0 189 146 A 73 ASN H A 72 PRO HDy 1.0 1.8 5.0 190 147 A 73 ASN H A 72 PRO HDx 1.0 1.8 5.0 191 147 A 73 ASN H A 72 PRO HDy 1.0 1.8 5.0 192 148 A 73 ASN H A 72 PRO HA 1.0 1.8 5.0 193 149 A 73 ASN H A 71 ASP HA 1.0 1.8 5.0 194 150 A 26 THR H A 25 LYS HGx 1.0 1.8 5.0 195 150 A 26 THR H A 25 LYS HGy 1.0 1.8 5.0 196 151 A 26 THR H A 24 GLU HBx 1.0 1.8 5.0 197 151 A 26 THR H A 24 GLU HBy 1.0 1.8 5.0 198 152 A 26 THR H A 23 ASP HBx 1.0 1.8 6.0 199 152 A 23 ASP HBy A 26 THR H 1.0 1.8 6.0 200 153 A 23 ASP HA A 26 THR H 1.0 1.8 5.0 201 154 A 88 TYR H A 84 ALA HA 1.0 1.8 5.0 202 155 A 88 TYR H A 87 LEU HBx 1.0 1.8 5.0 203 155 A 88 TYR H A 87 LEU HBy 1.0 1.8 5.0 204 156 A 89 SER HA A 88 TYR H 1.0 1.8 6.0 205 157 A 88 TYR H A 85 ALA HA 1.0 1.8 5.0 206 158 A 80 TYR H A 78 ILE HA 1.0 1.8 6.0 207 159 A 83 PHE H A 82 ALA HA 1.0 1.8 5.0 208 160 A 83 PHE H A 80 TYR HA 1.0 1.8 5.0 209 161 A 83 PHE H A 84 ALA HA 1.0 1.8 6.0 210 162 A 83 PHE H A 78 ILE HG2% 1.0 1.8 5.0 211 163 A 83 PHE H A 78 ILE HD1% 1.0 1.8 6.0 212 164 A 80 TYR H A 83 PHE H 1.0 1.8 5.0 213 165 A 83 PHE H A 86 MET H 1.0 1.8 6.0 214 166 A 81 LYS H A 80 TYR HD% 1.0 1.8 5.0 215 167 A 79 ASP HA A 81 LYS H 1.0 1.8 6.0 216 168 A 81 LYS H A 80 TYR HBx 1.0 1.8 5.0 217 168 A 81 LYS H A 80 TYR HBy 1.0 1.8 5.0 218 169 A 79 ASP HA A 82 ALA H 1.0 1.8 6.0 219 170 A 82 ALA H A 81 LYS HA 1.0 1.8 5.0 220 171 A 82 ALA H A 79 ASP HBx 1.0 1.8 5.0 221 171 A 82 ALA H A 79 ASP HBy 1.0 1.8 5.0 222 172 A 82 ALA H A 79 ASP HBx 1.0 1.8 5.0 223 172 A 82 ALA H A 79 ASP HBy 1.0 1.8 5.0 224 173 A 82 ALA H A 80 TYR HBx 1.0 1.8 5.0 225 173 A 82 ALA H A 80 TYR HBy 1.0 1.8 5.0 226 174 A 82 ALA H A 81 LYS HEx 1.0 1.8 6.0 227 174 A 82 ALA H A 81 LYS HEy 1.0 1.8 6.0 228 175 A 27 GLN H A 26 THR H 1.0 1.8 3.0 229 176 A 89 SER H A 88 TYR HD% 1.0 1.8 5.0 230 177 A 89 SER H A 86 MET H 1.0 1.8 5.0 231 178 A 89 SER H A 86 MET HA 1.0 1.8 5.0 232 179 A 89 SER H A 88 TYR HBx 1.0 1.8 5.0 233 179 A 89 SER H A 88 TYR HBy 1.0 1.8 5.0 234 180 A 89 SER H A 88 TYR HBx 1.0 1.8 5.0 235 180 A 89 SER H A 88 TYR HBy 1.0 1.8 5.0 236 181 A 86 MET H A 84 ALA HB% 1.0 1.8 5.0 237 182 A 86 MET H A 84 ALA HA 1.0 1.8 5.0 238 183 A 86 MET H A 83 PHE HA 1.0 1.8 5.0 239 184 A 84 ALA H A 86 MET H 1.0 1.8 6.0 240 185 A 62 GLU H A 60 GLU H 1.0 1.8 6.0 241 186 A 60 GLU H A 63 ILE HD1% 1.0 1.8 6.0 242 187 A 44 SER H A 43 VAL HA 1.0 1.8 6.0 243 188 A 44 SER H A 43 VAL HB 1.0 1.8 6.0 244 189 A 69 ALA H A 68 GLU HA 1.0 1.8 5.0 245 190 A 87 LEU H A 83 PHE HA 1.0 1.8 6.0 246 191 A 87 LEU H A 84 ALA HA 1.0 1.8 5.0 247 192 A 69 ALA H A 70 ALA HB% 1.0 1.8 6.0 248 193 A 69 ALA H A 68 GLU HBx 1.0 1.8 5.0 249 193 A 69 ALA H A 68 GLU HBy 1.0 1.8 5.0 250 194 A 69 ALA H A 68 GLU HBx 1.0 1.8 5.0 251 194 A 69 ALA H A 68 GLU HBy 1.0 1.8 5.0 252 195 A 69 ALA H A 68 GLU HGx 1.0 1.8 6.0 253 195 A 69 ALA H A 68 GLU HGy 1.0 1.8 6.0 254 196 A 72 PRO HA A 71 ASP H 1.0 1.8 6.0 255 197 A 69 ALA HA A 71 ASP H 1.0 1.8 5.0 256 198 A 71 ASP H A 72 PRO HDx 1.0 1.8 5.0 257 198 A 72 PRO HDy A 71 ASP H 1.0 1.8 5.0 258 199 A 71 ASP H A 72 PRO HDx 1.0 1.8 5.0 259 199 A 72 PRO HDy A 71 ASP H 1.0 1.8 5.0 260 200 A 78 ILE HD1% A 71 ASP H 1.0 1.8 6.0 261 201 A 71 ASP H A 78 ILE HG2% 1.0 1.8 6.0 262 202 A 69 ALA HB% A 71 ASP H 1.0 1.8 5.0 263 203 A 69 ALA H A 71 ASP H 1.0 1.8 5.0 264 204 A 74 ASN H A 71 ASP HA 1.0 1.8 6.0 265 205 A 74 ASN H A 75 THR H 1.0 1.8 5.0 266 206 A 74 ASN H A 73 ASN HA 1.0 1.8 5.0 267 207 A 74 ASN H A 75 THR HA 1.0 1.8 5.0 268 208 A 74 ASN H A 75 THR HG2% 1.0 1.8 5.0 269 209 A 77 PHE H A 75 THR H 1.0 1.8 6.0 270 210 A 77 PHE H A 78 ILE H 1.0 1.8 6.0 271 211 A 77 PHE H A 76 GLY HAx 1.0 1.8 5.0 272 211 A 77 PHE H A 76 GLY HAy 1.0 1.8 5.0 273 212 A 77 PHE H A 75 THR HG2% 1.0 1.8 5.0 274 213 A 77 PHE H A 45 VAL HGy% 1.0 1.8 6.0 275 214 A 77 PHE H A 45 VAL HGx% 1.0 1.8 6.0 276 215 A 45 VAL H A 77 PHE HA 1.0 1.8 5.0 277 216 A 45 VAL H A 44 SER HBx 1.0 1.8 5.0 278 216 A 45 VAL H A 44 SER HBy 1.0 1.8 5.0 279 217 A 64 THR H A 62 GLU H 1.0 1.8 5.0 280 218 A 63 ILE H A 64 THR H 1.0 1.8 3.0 281 219 A 64 THR H A 66 PHE H 1.0 1.8 5.0 282 220 A 64 THR H A 61 ALA HA 1.0 1.8 5.0 283 221 A 64 THR H A 63 ILE HA 1.0 1.8 5.0 284 222 A 64 THR H A 63 ILE HG12 1.0 1.8 5.0 285 223 A 64 THR H A 61 ALA HB% 1.0 1.8 5.0 286 224 A 24 GLU H A 26 THR H 1.0 1.8 6.0 287 225 A 22 SER HA A 24 GLU H 1.0 1.8 5.0 288 226 A 24 GLU H A 22 SER H 1.0 1.8 5.0 289 227 A 24 GLU H A 22 SER HBx 1.0 1.8 5.0 290 227 A 24 GLU H A 22 SER HBy 1.0 1.8 5.0 291 228 A 47 GLU H A 48 PHE H 1.0 1.8 5.0 292 229 A 48 PHE H A 46 GLU HA 1.0 1.8 6.0 293 230 A 48 PHE H A 45 VAL HA 1.0 1.8 6.0 294 231 A 48 PHE H A 46 GLU HBx 1.0 1.8 6.0 295 231 A 48 PHE H A 46 GLU HBy 1.0 1.8 6.0 296 232 A 48 PHE H A 45 VAL HGy% 1.0 1.8 6.0 297 233 A 48 PHE H A 43 VAL HGy% 1.0 1.8 5.0 298 234 A 87 LEU H A 88 TYR HBx 1.0 1.8 6.0 299 234 A 87 LEU H A 88 TYR HBy 1.0 1.8 6.0 300 235 A 87 LEU H A 86 MET HGx 1.0 1.8 5.0 301 235 A 87 LEU H A 86 MET HGy 1.0 1.8 5.0 302 236 A 87 LEU H A 86 MET HE% 1.0 1.8 6.0 303 237 A 62 GLU H A 59 THR H 1.0 1.8 5.0 304 238 A 62 GLU H A 59 THR HB 1.0 1.8 5.0 305 239 A 62 GLU H A 61 ALA HA 1.0 1.8 5.0 306 240 A 62 GLU H A 59 THR HA 1.0 1.8 6.0 307 241 A 87 LEU H A 88 TYR H 1.0 1.8 3.0 308 242 A 85 ALA H A 83 PHE HA 1.0 1.8 6.0 309 243 A 85 ALA H A 81 LYS HA 1.0 1.8 5.0 310 244 A 85 ALA H A 84 ALA HA 1.0 1.8 5.0 311 245 A 29 ILE HA A 32 PHE H 1.0 1.8 5.0 312 246 A 91 ASP H A 90 VAL H 1.0 1.8 3.0 313 247 A 23 ASP H A 22 SER HBx 1.0 1.8 5.0 314 247 A 23 ASP H A 22 SER HBy 1.0 1.8 5.0 315 248 A 23 ASP H A 22 SER HBx 1.0 1.8 5.0 316 248 A 23 ASP H A 22 SER HBy 1.0 1.8 5.0 317 249 A 50 GLY H A 49 ARG H 1.0 1.8 5.0 318 250 A 49 ARG H A 48 PHE HD% 1.0 1.8 6.0 319 251 A 49 ARG H A 48 PHE HBx 1.0 1.8 5.0 320 251 A 49 ARG H A 48 PHE HBy 1.0 1.8 5.0 321 252 A 63 ILE H A 60 GLU H 1.0 1.8 6.0 322 253 A 63 ILE H A 65 GLU H 1.0 1.8 5.0 323 254 A 63 ILE H A 61 ALA HA 1.0 1.8 5.0 324 255 A 63 ILE H A 61 ALA HB% 1.0 1.8 5.0 325 256 A 63 ILE H A 58 MET HBx 1.0 1.8 5.0 326 256 A 63 ILE H A 58 MET HBy 1.0 1.8 5.0 327 257 A 63 ILE H A 58 MET HBx 1.0 1.8 5.0 328 257 A 63 ILE H A 58 MET HBy 1.0 1.8 5.0 329 258 A 45 VAL H A 77 PHE HD% 1.0 1.8 6.0 330 259 A 45 VAL H A 44 SER H 1.0 1.8 6.0 331 260 A 24 GLU H A 25 LYS H 1.0 1.8 3.0 332 261 A 25 LYS H A 23 ASP HA 1.0 1.8 6.0 333 262 A 56 LEU H A 55 GLY HAx 1.0 1.8 5.0 334 262 A 56 LEU H A 55 GLY HAy 1.0 1.8 5.0 335 263 A 56 LEU H A 55 GLY HAx 1.0 1.8 5.0 336 263 A 56 LEU H A 55 GLY HAy 1.0 1.8 5.0 337 264 A 56 LEU H A 52 ILE HG2% 1.0 1.8 5.0 338 265 A 36 ASP H A 35 PHE HD% 1.0 1.8 5.0 339 266 A 36 ASP H A 35 PHE HBx 1.0 1.8 5.0 340 266 A 36 ASP H A 35 PHE HBy 1.0 1.8 5.0 341 267 A 92 GLU H A 91 ASP HBx 1.0 1.8 5.0 342 267 A 92 GLU H A 91 ASP HBy 1.0 1.8 5.0 343 268 A 92 GLU H A 91 ASP HBx 1.0 1.8 5.0 344 268 A 92 GLU H A 91 ASP HBy 1.0 1.8 5.0 345 269 A 51 ILE H A 48 PHE HA 1.0 1.8 5.0 346 270 A 51 ILE H A 50 GLY H 1.0 1.8 5.0 347 271 A 51 ILE H A 49 ARG H 1.0 1.8 6.0 348 272 A 28 LEU H A 27 GLN HGx 1.0 1.8 6.0 349 272 A 28 LEU H A 27 GLN HGy 1.0 1.8 6.0 350 273 A 28 LEU H A 27 GLN HBx 1.0 1.8 5.0 351 273 A 28 LEU H A 27 GLN HBy 1.0 1.8 5.0 352 274 A 31 ALA H A 29 ILE HA 1.0 1.8 6.0 353 275 A 31 ALA H A 30 GLU HGx 1.0 1.8 6.0 354 275 A 31 ALA H A 30 GLU HGy 1.0 1.8 6.0 355 276 A 31 ALA H A 30 GLU HGx 1.0 1.8 6.0 356 276 A 31 ALA H A 30 GLU HGy 1.0 1.8 6.0 357 277 A 84 ALA H A 83 PHE HD% 1.0 1.8 5.0 358 278 A 84 ALA H A 87 LEU H 1.0 1.8 6.0 359 279 A 40 ASP H A 39 TYR HBx 1.0 1.8 5.0 360 279 A 40 ASP H A 39 TYR HBy 1.0 1.8 5.0 361 280 A 84 ALA H A 81 LYS HA 1.0 1.8 5.0 362 281 A 84 ALA H A 82 ALA HA 1.0 1.8 5.0 363 282 A 84 ALA H A 83 PHE HA 1.0 1.8 5.0 364 283 A 84 ALA H A 83 PHE HBx 1.0 1.8 5.0 365 283 A 84 ALA H A 83 PHE HBy 1.0 1.8 5.0 366 284 A 84 ALA H A 82 ALA HB% 1.0 1.8 5.0 367 285 A 61 ALA H A 59 THR HA 1.0 1.8 5.0 368 286 A 61 ALA H A 60 GLU HGx 1.0 1.8 5.0 369 286 A 61 ALA H A 60 GLU HGy 1.0 1.8 5.0 370 287 A 35 PHE H A 32 PHE HA 1.0 1.8 5.0 371 288 A 35 PHE H A 34 ASN HD2y 1.0 1.8 6.0 372 289 A 36 ASP H A 35 PHE H 1.0 1.8 5.0 373 290 A 35 PHE H A 34 ASN H 1.0 1.8 3.0 374 291 A 35 PHE H A 34 ASN HBx 1.0 1.8 5.0 375 291 A 35 PHE H A 34 ASN HBy 1.0 1.8 5.0 376 292 A 35 PHE H A 34 ASN HBx 1.0 1.8 5.0 377 292 A 35 PHE H A 34 ASN HBy 1.0 1.8 5.0 378 293 A 62 GLU H A 65 GLU H 1.0 1.8 5.0 379 294 A 65 GLU H A 61 ALA HA 1.0 1.8 5.0 380 295 A 65 GLU H A 66 PHE HBx 1.0 1.8 5.0 381 295 A 65 GLU H A 66 PHE HBy 1.0 1.8 5.0 382 296 A 61 ALA H A 65 GLU H 1.0 1.8 5.0 383 297 A 65 GLU H A 63 ILE HG2% 1.0 1.8 6.0 384 298 A 65 GLU H A 63 ILE HA 1.0 1.8 6.0 385 299 A 91 ASP H A 90 VAL H 1.0 1.8 5.0 386 300 A 39 TYR H A 38 ASP HBx 1.0 1.8 5.0 387 300 A 39 TYR H A 38 ASP HBy 1.0 1.8 5.0 388 301 A 39 TYR H A 38 ASP HBx 1.0 1.8 5.0 389 301 A 39 TYR H A 38 ASP HBy 1.0 1.8 5.0 390 302 A 66 PHE H A 64 THR HG2% 1.0 1.8 6.0 391 303 A 66 PHE H A 65 GLU HGx 1.0 1.8 5.0 392 303 A 66 PHE H A 65 GLU HGy 1.0 1.8 5.0 393 304 A 66 PHE H A 63 ILE HA 1.0 1.8 5.0 394 305 A 37 GLY H A 39 TYR H 1.0 1.8 6.0 395 306 A 47 GLU H A 50 GLY H 1.0 1.8 6.0 396 307 A 47 GLU H A 46 GLU HA 1.0 1.8 5.0 397 308 A 47 GLU H A 43 VAL HGy% 1.0 1.8 6.0 398 309 A 53 ARG H A 52 ILE HA 1.0 1.8 5.0 399 310 A 53 ARG H A 52 ILE HG2% 1.0 1.8 5.0 400 311 A 49 ARG H A 48 PHE HA 1.0 1.8 6.0 401 312 A 46 GLU H A 45 VAL HGx% 1.0 1.8 5.0 402 313 A 46 GLU H A 45 VAL HGy% 1.0 1.8 5.0 403 314 A 54 ASP H A 53 ARG HBx 1.0 1.8 5.0 404 314 A 54 ASP H A 53 ARG HBy 1.0 1.8 5.0 405 315 A 67 PHE H A 66 PHE HD% 1.0 1.8 5.0 406 316 A 67 PHE H A 69 ALA H 1.0 1.8 6.0 407 317 A 52 ILE H A 51 ILE HG12 1.0 1.8 6.0 408 318 A 52 ILE H A 51 ILE HA 1.0 1.8 5.0 409 319 A 52 ILE H A 53 ARG H 1.0 1.8 5.0 410 320 A 52 ILE H A 48 PHE HA 1.0 1.8 6.0 411 321 A 42 PHE H A 43 VAL H 1.0 1.8 6.0 412 322 A 42 PHE H A 40 ASP HA 1.0 1.8 5.0 413 323 A 42 PHE H A 40 ASP HBx 1.0 1.8 5.0 414 323 A 42 PHE H A 40 ASP HBy 1.0 1.8 5.0 415 324 A 47 GLU H A 45 VAL HA 1.0 1.8 6.0 416 325 A 46 GLU H A 45 VAL HB 1.0 1.8 5.0 417 326 A 46 GLU H A 45 VAL HA 1.0 1.8 5.0 418 327 A 46 GLU H A 44 SER HBx 1.0 1.8 5.0 419 327 A 44 SER HBy A 46 GLU H 1.0 1.8 5.0 420 328 A 46 GLU H A 44 SER HA 1.0 1.8 5.0 421 329 A 34 ASN H A 31 ALA HA 1.0 1.8 5.0 422 330 A 34 ASN H A 33 TYR HBx 1.0 1.8 5.0 423 330 A 34 ASN H A 33 TYR HBy 1.0 1.8 5.0 424 331 A 29 ILE H A 87 LEU HDx% 1.0 1.8 6.0 425 331 A 29 ILE H A 87 LEU HDy% 1.0 1.8 6.0 426 332 A 30 GLU H A 29 ILE HG2% 1.0 1.8 5.0 427 333 A 30 GLU H A 29 ILE HG13 1.0 1.8 6.0 428 334 A 29 ILE H A 26 THR HA 1.0 1.8 5.0 429 335 A 39 TYR H A 38 ASP H 1.0 1.8 3.0 430 336 A 68 GLU H A 67 PHE HD% 1.0 1.8 5.0 431 337 A 67 PHE H A 68 GLU H 1.0 1.8 3.0 432 338 A 64 THR HB A 68 GLU H 1.0 1.8 6.0 433 339 A 68 GLU H A 69 ALA HB% 1.0 1.8 5.0 434 340 A 68 GLU H A 64 THR HG2% 1.0 1.8 5.0 435 341 A 58 MET H A 57 PRO HDx 1.0 1.8 6.0 436 341 A 58 MET H A 57 PRO HDy 1.0 1.8 6.0 437 342 A 80 TYR H A 78 ILE HG2% 1.0 1.8 6.0 438 343 A 48 PHE H A 47 GLU HA 1.0 1.8 5.0 439 344 A 24 GLU H A 22 SER HBx 1.0 1.8 6.0 440 344 A 24 GLU H A 22 SER HBy 1.0 1.8 6.0 441 345 A 84 ALA HB% A 88 TYR HD% 1.0 1.8 5.0 442 346 A 48 PHE HD% A 52 ILE HD1% 1.0 1.8 5.0 443 347 A 84 ALA HA A 88 TYR HD% 1.0 1.8 5.0 444 348 A 85 ALA HA A 88 TYR HD% 1.0 1.8 6.0 445 349 A 88 TYR HD% A 87 LEU HDx% 1.0 1.8 6.0 446 349 A 88 TYR HD% A 87 LEU HDy% 1.0 1.8 6.0 447 350 A 84 ALA HB% A 80 TYR HD% 1.0 1.8 5.0 448 351 A 66 PHE HD% A 28 LEU HDx% 1.0 1.8 6.0 449 351 A 66 PHE HD% A 28 LEU HDy% 1.0 1.8 6.0 450 352 A 78 ILE HD1% A 67 PHE HD% 1.0 1.8 5.0 451 353 A 67 PHE HD% A 78 ILE HG2% 1.0 1.8 5.0 452 354 A 78 ILE HD1% A 48 PHE HD% 1.0 1.8 5.0 453 355 A 48 PHE HD% A 51 ILE HB 1.0 1.8 5.0 454 356 A 45 VAL HA A 48 PHE HD% 1.0 1.8 6.0 455 357 A 48 PHE HD% A 52 ILE HG12 1.0 1.8 5.0 456 358 A 52 ILE HD1% A 48 PHE HE% 1.0 1.8 5.0 457 359 A 78 ILE HD1% A 48 PHE HE% 1.0 1.8 6.0 458 360 A 48 PHE HE% A 78 ILE HG2% 1.0 1.8 5.0 459 361 A 30 GLU HA A 33 TYR HD% 1.0 1.8 6.0 460 362 A 33 TYR HD% A 29 ILE HG2% 1.0 1.8 5.0 461 363 A 80 TYR HA A 83 PHE HD% 1.0 1.8 6.0 462 364 A 29 ILE HA A 32 PHE HD% 1.0 1.8 6.0 463 365 A 84 ALA HB% A 83 PHE HD% 1.0 1.8 6.0 464 366 A 70 ALA HB% A 83 PHE HD% 1.0 1.8 5.0 465 367 A 83 PHE HD% A 78 ILE HG2% 1.0 1.8 5.0 466 368 A 83 PHE HD% A 87 LEU HDx% 1.0 1.8 5.0 467 368 A 83 PHE HD% A 87 LEU HDy% 1.0 1.8 5.0 468 369 A 67 PHE HE% A 49 ARG HA 1.0 1.8 5.0 469 370 A 45 VAL HA A 67 PHE HE% 1.0 1.8 6.0 470 371 A 67 PHE HE% A 52 ILE HB 1.0 1.8 6.0 471 372 A 67 PHE HE% A 52 ILE HG12 1.0 1.8 6.0 472 373 A 78 ILE HD1% A 67 PHE HE% 1.0 1.8 6.0 473 374 A 52 ILE HD1% A 67 PHE HE% 1.0 1.8 5.0 474 375 A 67 PHE HE% A 78 ILE HG2% 1.0 1.8 6.0 475 376 A 67 PHE HE% A 52 ILE HG2% 1.0 1.8 6.0 476 377 A 67 PHE HE% A 63 ILE HG2% 1.0 1.8 5.0 477 378 A 67 PHE HE% A 45 VAL HGx% 1.0 1.8 6.0 478 379 A 83 PHE HE% A 87 LEU HDx% 1.0 1.8 6.0 479 379 A 87 LEU HDy% A 83 PHE HE% 1.0 1.8 6.0 480 380 A 83 PHE HE% A 78 ILE HG2% 1.0 1.8 6.0 481 381 A 70 ALA HB% A 83 PHE HE% 1.0 1.8 6.0 482 382 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 483 382 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 484 383 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 3.0 485 383 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 3.0 486 383 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 3.0 487 383 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 3.0 488 384 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 489 384 A 75 THR HG1 A 73 ASN HBx 1.0 1.8 3.0 490 384 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 491 384 A 75 THR HG1 A 73 ASN HBy 1.0 1.8 3.0 492 385 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 493 385 A 75 THR HG1 A 73 ASN HBx 1.0 1.8 3.0 494 385 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 495 385 A 75 THR HG1 A 73 ASN HBy 1.0 1.8 3.0 496 386 A 51 ILE H A 50 GLY HAx 1.0 1.8 3.0 497 386 A 51 ILE H A 50 GLY HAy 1.0 1.8 3.0 498 387 A 51 ILE H A 50 GLY HAx 1.0 1.8 3.0 499 387 A 51 ILE H A 50 GLY HAy 1.0 1.8 3.0 500 388 A 38 ASP H A 37 GLY HAx 1.0 1.8 3.0 501 388 A 38 ASP H A 37 GLY HAy 1.0 1.8 3.0 502 389 A 78 ILE HD1% A 70 ALA HB% 1.0 1.8 3.0 503 390 A 70 ALA H A 69 ALA HB% 1.0 1.8 3.0 504 391 A 65 GLU H A 64 THR HB 1.0 1.8 3.0 505 392 A 85 ALA H A 84 ALA HB% 1.0 1.8 3.0 506 393 A 60 GLU HA A 63 ILE HD1% 1.0 1.8 3.0 507 394 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 508 394 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 509 395 A 58 MET H A 57 PRO HA 1.0 1.8 3.0 510 396 A 91 ASP H A 90 VAL HA 1.0 1.8 3.0 511 397 A 60 GLU H A 59 THR HA 1.0 1.8 3.0 512 398 A 60 GLU HA A 63 ILE HD1% 1.0 1.8 3.0 513 399 A 84 ALA HB% A 81 LYS HA 1.0 1.8 3.0 514 400 A 36 ASP H A 35 PHE HA 1.0 1.8 3.0 515 401 A 90 VAL H A 89 SER HA 1.0 1.8 3.0 516 402 A 31 ALA H A 30 GLU HA 1.0 1.8 3.0 517 403 A 45 VAL H A 44 SER HA 1.0 1.8 3.0 518 404 A 59 THR H A 58 MET HA 1.0 1.8 3.0 519 405 A 25 LYS H A 24 GLU HBx 1.0 1.8 3.0 520 405 A 25 LYS H A 24 GLU HBy 1.0 1.8 3.0 521 406 A 80 TYR H A 79 ASP HA 1.0 1.8 3.0 522 407 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 523 407 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 524 408 A 42 PHE HA A 43 VAL H 1.0 1.8 5.0 525 409 A 80 TYR H A 42 PHE HA 1.0 1.8 6.0 526 410 A 79 ASP HA A 42 PHE HA 1.0 1.8 6.0 527 411 A 79 ASP HA A 42 PHE HA 1.0 1.8 6.0 528 412 A 79 ASP HA A 42 PHE HBx 1.0 1.8 5.0 529 412 A 79 ASP HA A 42 PHE HBy 1.0 1.8 5.0 530 413 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 531 413 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 532 414 A 77 PHE H A 76 GLY HAx 1.0 1.8 5.0 533 414 A 77 PHE H A 76 GLY HAy 1.0 1.8 5.0 534 415 A 77 PHE H A 76 GLY HAx 1.0 1.8 5.0 535 415 A 77 PHE H A 76 GLY HAy 1.0 1.8 5.0 536 416 A 76 GLY HAx A 78 ILE HG13 1.0 1.8 5.0 537 416 A 76 GLY HAy A 78 ILE HG13 1.0 1.8 5.0 538 417 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 5.0 539 417 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 5.0 540 418 A 45 VAL HB A 76 GLY HAx 1.0 1.8 6.0 541 418 A 76 GLY HAy A 45 VAL HB 1.0 1.8 6.0 542 419 A 45 VAL HB A 76 GLY HAx 1.0 1.8 5.0 543 419 A 76 GLY HAy A 45 VAL HB 1.0 1.8 5.0 544 420 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 545 420 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 546 421 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 547 421 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 548 422 A 79 ASP H A 78 ILE HB 1.0 1.8 5.0 549 423 A 78 ILE H A 77 PHE HBx 1.0 1.8 5.0 550 423 A 78 ILE H A 77 PHE HBy 1.0 1.8 5.0 551 424 A 78 ILE H A 77 PHE HA 1.0 1.8 5.0 552 425 A 77 PHE HA A 44 SER HA 1.0 1.8 5.0 553 426 A 77 PHE HA A 45 VAL HGx% 1.0 1.8 6.0 554 427 A 77 PHE HA A 45 VAL HGy% 1.0 1.8 5.0 555 428 A 79 ASP H A 78 ILE HA 1.0 1.8 3.0 556 429 A 80 TYR HA A 78 ILE HG13 1.0 1.8 5.0 557 429 A 80 TYR HA A 78 ILE HG2% 1.0 1.8 5.0 558 429 A 80 TYR HA A 78 ILE HG12 1.0 1.8 5.0 559 430 A 79 ASP H A 78 ILE HG2% 1.0 1.8 5.0 560 430 A 79 ASP H A 78 ILE HG12 1.0 1.8 5.0 561 430 A 79 ASP H A 78 ILE HG13 1.0 1.8 5.0 562 431 A 71 ASP HBy A 78 ILE HG13 1.0 1.8 5.0 563 431 A 78 ILE HG12 A 71 ASP HBx 1.0 1.8 5.0 564 431 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 565 431 A 78 ILE HG12 A 71 ASP HBy 1.0 1.8 5.0 566 431 A 71 ASP HBx A 78 ILE HG13 1.0 1.8 5.0 567 431 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 568 432 A 83 PHE HBy A 78 ILE HG2% 1.0 1.8 5.0 569 432 A 83 PHE HBy A 78 ILE HG12 1.0 1.8 5.0 570 432 A 78 ILE HG12 A 83 PHE HBx 1.0 1.8 5.0 571 432 A 78 ILE HG13 A 83 PHE HBx 1.0 1.8 5.0 572 432 A 83 PHE HBy A 78 ILE HG13 1.0 1.8 5.0 573 432 A 78 ILE HG2% A 83 PHE HBx 1.0 1.8 5.0 574 433 A 78 ILE HG13 A 83 PHE HBx 1.0 1.8 5.0 575 433 A 83 PHE HBy A 78 ILE HG2% 1.0 1.8 5.0 576 433 A 83 PHE HBy A 78 ILE HG12 1.0 1.8 5.0 577 433 A 78 ILE HG12 A 83 PHE HBx 1.0 1.8 5.0 578 433 A 83 PHE HBy A 78 ILE HG13 1.0 1.8 5.0 579 433 A 78 ILE HG2% A 83 PHE HBx 1.0 1.8 5.0 580 434 A 71 ASP HBy A 78 ILE HG13 1.0 1.8 5.0 581 434 A 78 ILE HG12 A 71 ASP HBx 1.0 1.8 5.0 582 434 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 583 434 A 78 ILE HG12 A 71 ASP HBy 1.0 1.8 5.0 584 434 A 71 ASP HBx A 78 ILE HG13 1.0 1.8 5.0 585 434 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 586 435 A 71 ASP HBy A 78 ILE HG13 1.0 1.8 5.0 587 435 A 71 ASP HBx A 78 ILE HG13 1.0 1.8 5.0 588 436 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 589 436 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 590 437 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.0 591 437 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.0 592 438 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.0 593 438 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.0 594 439 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 595 439 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 596 440 A 78 ILE HD1% A 71 ASP HBx 1.0 1.8 5.0 597 440 A 78 ILE HD1% A 71 ASP HBy 1.0 1.8 5.0 598 441 A 84 ALA HA A 88 TYR HE% 1.0 1.8 5.0 599 442 A 84 ALA HA A 88 TYR HD% 1.0 1.8 5.0 600 443 A 85 ALA H A 84 ALA HA 1.0 1.8 5.0 601 444 A 88 TYR H A 84 ALA HA 1.0 1.8 5.0 602 445 A 84 ALA HA A 83 PHE HBx 1.0 1.8 6.0 603 445 A 83 PHE HBy A 84 ALA HA 1.0 1.8 6.0 604 446 A 84 ALA HA A 83 PHE HBx 1.0 1.8 6.0 605 446 A 83 PHE HBy A 84 ALA HA 1.0 1.8 6.0 606 447 A 84 ALA HA A 87 LEU HDx% 1.0 1.8 5.0 607 447 A 84 ALA HA A 87 LEU HDy% 1.0 1.8 5.0 608 448 A 84 ALA HA A 87 LEU HDx% 1.0 1.8 5.0 609 448 A 84 ALA HA A 87 LEU HDy% 1.0 1.8 5.0 610 449 A 88 TYR H A 87 LEU HBx 1.0 1.8 5.0 611 449 A 88 TYR H A 87 LEU HBy 1.0 1.8 5.0 612 450 A 88 TYR H A 87 LEU HBx 1.0 1.8 5.0 613 450 A 88 TYR H A 87 LEU HBy 1.0 1.8 5.0 614 451 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 615 451 A 87 LEU HBy A 84 ALA HA 1.0 1.8 5.0 616 452 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 617 452 A 87 LEU HBy A 84 ALA HA 1.0 1.8 5.0 618 453 A 90 VAL H A 89 SER HBx 1.0 1.8 5.0 619 453 A 90 VAL H A 89 SER HBy 1.0 1.8 5.0 620 454 A 91 ASP H A 89 SER HBx 1.0 1.8 5.0 621 454 A 91 ASP H A 89 SER HBy 1.0 1.8 5.0 622 455 A 89 SER H A 88 TYR HA 1.0 1.8 3.0 623 456 A 89 SER H A 88 TYR HBx 1.0 1.8 5.0 624 456 A 89 SER H A 88 TYR HBy 1.0 1.8 5.0 625 457 A 84 ALA HB% A 81 LYS HA 1.0 1.8 3.0 626 458 A 84 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 627 458 A 83 PHE HBy A 84 ALA HB% 1.0 1.8 5.0 628 459 A 84 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 629 459 A 83 PHE HBy A 84 ALA HB% 1.0 1.8 5.0 630 460 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 3.0 631 460 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 3.0 632 461 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 5.0 633 461 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 5.0 634 462 A 42 PHE HE% A 79 ASP HBx 1.0 1.8 5.0 635 462 A 79 ASP HBy A 42 PHE HE% 1.0 1.8 5.0 636 463 A 42 PHE HE% A 79 ASP HBx 1.0 1.8 6.0 637 463 A 79 ASP HBy A 42 PHE HE% 1.0 1.8 6.0 638 464 A 42 PHE HD% A 79 ASP HBx 1.0 1.8 6.0 639 464 A 79 ASP HBy A 42 PHE HD% 1.0 1.8 6.0 640 465 A 80 TYR H A 79 ASP HBx 1.0 1.8 5.0 641 465 A 80 TYR H A 79 ASP HBy 1.0 1.8 5.0 642 466 A 80 TYR H A 79 ASP HBx 1.0 1.8 5.0 643 466 A 80 TYR H A 79 ASP HBy 1.0 1.8 5.0 644 467 A 83 PHE H A 80 TYR HA 1.0 1.8 5.0 645 468 A 84 ALA H A 80 TYR HA 1.0 1.8 5.0 646 469 A 78 ILE HD1% A 80 TYR HA 1.0 1.8 5.0 647 470 A 80 TYR HA A 78 ILE HG2% 1.0 1.8 5.0 648 471 A 84 ALA H A 80 TYR HBx 1.0 1.8 5.0 649 471 A 84 ALA H A 80 TYR HBy 1.0 1.8 5.0 650 472 A 81 LYS H A 80 TYR HBx 1.0 1.8 3.0 651 472 A 81 LYS H A 80 TYR HBy 1.0 1.8 3.0 652 473 A 82 ALA H A 81 LYS HBx 1.0 1.8 5.0 653 473 A 82 ALA H A 81 LYS HBy 1.0 1.8 5.0 654 474 A 82 ALA H A 81 LYS HBx 1.0 1.8 5.0 655 474 A 82 ALA H A 81 LYS HBy 1.0 1.8 5.0 656 475 A 82 ALA H A 81 LYS HA 1.0 1.8 5.0 657 476 A 84 ALA H A 81 LYS HA 1.0 1.8 5.0 658 477 A 84 ALA HA A 81 LYS HA 1.0 1.8 5.0 659 478 A 81 LYS HA A 83 PHE HBx 1.0 1.8 5.0 660 478 A 83 PHE HBy A 81 LYS HA 1.0 1.8 5.0 661 479 A 81 LYS HA A 83 PHE HBx 1.0 1.8 5.0 662 479 A 83 PHE HBy A 81 LYS HA 1.0 1.8 5.0 663 480 A 82 ALA H A 81 LYS HGx 1.0 1.8 5.0 664 480 A 82 ALA H A 81 LYS HGy 1.0 1.8 5.0 665 481 A 82 ALA H A 81 LYS HGx 1.0 1.8 5.0 666 481 A 82 ALA H A 81 LYS HGy 1.0 1.8 5.0 667 482 A 80 TYR HE% A 81 LYS HGx 1.0 1.8 5.0 668 482 A 81 LYS HGy A 80 TYR HE% 1.0 1.8 5.0 669 483 A 80 TYR HE% A 81 LYS HGx 1.0 1.8 6.0 670 483 A 81 LYS HGy A 80 TYR HE% 1.0 1.8 6.0 671 484 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 3.0 672 484 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 3.0 673 485 A 82 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 674 485 A 83 PHE HBy A 82 ALA HB% 1.0 1.8 5.0 675 486 A 51 ILE H A 50 GLY HAx 1.0 1.8 5.0 676 486 A 51 ILE H A 50 GLY HAy 1.0 1.8 5.0 677 487 A 51 ILE H A 50 GLY HAx 1.0 1.8 5.0 678 487 A 51 ILE H A 50 GLY HAy 1.0 1.8 5.0 679 488 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 6.0 680 488 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 6.0 681 488 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 6.0 682 488 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 6.0 683 489 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 5.0 684 489 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 5.0 685 489 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 5.0 686 489 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 5.0 687 490 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 5.0 688 490 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 5.0 689 490 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 5.0 690 490 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 5.0 691 491 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 5.0 692 491 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 5.0 693 491 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 5.0 694 491 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 5.0 695 492 A 70 ALA HA A 72 PRO HDx 1.0 1.8 5.0 696 492 A 72 PRO HDy A 70 ALA HA 1.0 1.8 5.0 697 493 A 70 ALA HA A 72 PRO HDx 1.0 1.8 6.0 698 493 A 72 PRO HDy A 70 ALA HA 1.0 1.8 6.0 699 494 A 78 ILE HD1% A 70 ALA HA 1.0 1.8 6.0 700 495 A 70 ALA HA A 78 ILE HG2% 1.0 1.8 5.0 701 496 A 70 ALA H A 69 ALA HA 1.0 1.8 5.0 702 497 A 68 GLU H A 69 ALA HB% 1.0 1.8 5.0 703 498 A 69 ALA HB% A 68 GLU HBx 1.0 1.8 5.0 704 498 A 69 ALA HB% A 68 GLU HBy 1.0 1.8 5.0 705 499 A 69 ALA HB% A 68 GLU HGx 1.0 1.8 5.0 706 499 A 69 ALA HB% A 68 GLU HGy 1.0 1.8 5.0 707 500 A 69 ALA HB% A 68 GLU HGx 1.0 1.8 5.0 708 500 A 69 ALA HB% A 68 GLU HGy 1.0 1.8 5.0 709 501 A 71 ASP HA A 72 PRO HDx 1.0 1.8 5.0 710 501 A 72 PRO HDy A 71 ASP HA 1.0 1.8 5.0 711 502 A 71 ASP HA A 72 PRO HGx 1.0 1.8 5.0 712 502 A 72 PRO HGy A 71 ASP HA 1.0 1.8 5.0 713 503 A 71 ASP HA A 72 PRO HGx 1.0 1.8 5.0 714 503 A 72 PRO HGy A 71 ASP HA 1.0 1.8 5.0 715 504 A 71 ASP HA A 78 ILE HG2% 1.0 1.8 6.0 716 505 A 73 ASN H A 71 ASP HA 1.0 1.8 5.0 717 506 A 73 ASN H A 72 PRO HA 1.0 1.8 5.0 718 507 A 73 ASN H A 72 PRO HGx 1.0 1.8 5.0 719 507 A 73 ASN H A 72 PRO HGy 1.0 1.8 5.0 720 508 A 73 ASN H A 72 PRO HGx 1.0 1.8 5.0 721 508 A 73 ASN H A 72 PRO HGy 1.0 1.8 5.0 722 509 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 6.0 723 509 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 6.0 724 509 A 72 PRO HGx A 73 ASN HD2x 1.0 1.8 6.0 725 509 A 72 PRO HGy A 73 ASN HD2x 1.0 1.8 6.0 726 510 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 6.0 727 510 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 6.0 728 511 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 6.0 729 511 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 6.0 730 512 A 72 PRO HGy A 73 ASN HD2y 1.0 1.8 6.0 731 512 A 73 ASN HD2y A 72 PRO HGx 1.0 1.8 6.0 732 512 A 72 PRO HGx A 73 ASN HD2x 1.0 1.8 6.0 733 512 A 72 PRO HGy A 73 ASN HD2x 1.0 1.8 6.0 734 513 A 71 ASP HA A 72 PRO HGx 1.0 1.8 6.0 735 513 A 72 PRO HGy A 71 ASP HA 1.0 1.8 6.0 736 514 A 71 ASP HA A 72 PRO HGx 1.0 1.8 6.0 737 514 A 72 PRO HGy A 71 ASP HA 1.0 1.8 6.0 738 515 A 71 ASP H A 72 PRO HDx 1.0 1.8 5.0 739 515 A 72 PRO HDy A 71 ASP H 1.0 1.8 5.0 740 516 A 71 ASP H A 72 PRO HDx 1.0 1.8 5.0 741 516 A 72 PRO HDy A 71 ASP H 1.0 1.8 5.0 742 517 A 73 ASN H A 72 PRO HDx 1.0 1.8 5.0 743 517 A 73 ASN H A 72 PRO HDy 1.0 1.8 5.0 744 518 A 73 ASN H A 72 PRO HDx 1.0 1.8 6.0 745 518 A 73 ASN H A 72 PRO HDy 1.0 1.8 6.0 746 519 A 71 ASP HBy A 72 PRO HDx 1.0 1.8 5.0 747 519 A 71 ASP HBx A 72 PRO HDx 1.0 1.8 5.0 748 519 A 72 PRO HDy A 71 ASP HBx 1.0 1.8 5.0 749 519 A 72 PRO HDy A 71 ASP HBy 1.0 1.8 5.0 750 520 A 71 ASP HBy A 72 PRO HDx 1.0 1.8 6.0 751 520 A 71 ASP HBx A 72 PRO HDx 1.0 1.8 6.0 752 520 A 72 PRO HDy A 71 ASP HBx 1.0 1.8 6.0 753 520 A 72 PRO HDy A 71 ASP HBy 1.0 1.8 6.0 754 521 A 74 ASN H A 73 ASN HBx 1.0 1.8 6.0 755 521 A 74 ASN H A 73 ASN HBy 1.0 1.8 6.0 756 522 A 74 ASN HBx A 76 GLY HAx 1.0 1.8 5.0 757 522 A 74 ASN HBy A 76 GLY HAx 1.0 1.8 5.0 758 522 A 76 GLY HAy A 74 ASN HBx 1.0 1.8 5.0 759 522 A 76 GLY HAy A 74 ASN HBy 1.0 1.8 5.0 760 523 A 74 ASN HBx A 76 GLY HAx 1.0 1.8 6.0 761 523 A 74 ASN HBy A 76 GLY HAx 1.0 1.8 6.0 762 523 A 76 GLY HAy A 74 ASN HBx 1.0 1.8 6.0 763 523 A 76 GLY HAy A 74 ASN HBy 1.0 1.8 6.0 764 524 A 74 ASN HA A 75 THR HG2% 1.0 1.8 5.0 765 525 A 73 ASN H A 74 ASN HA 1.0 1.8 6.0 766 526 A 75 THR H A 74 ASN HA 1.0 1.8 5.0 767 527 A 76 GLY H A 74 ASN HA 1.0 1.8 6.0 768 528 A 75 THR HA A 77 PHE HD% 1.0 1.8 6.0 769 529 A 77 PHE H A 75 THR HB 1.0 1.8 5.0 770 530 A 77 PHE HD% A 75 THR HB 1.0 1.8 5.0 771 531 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 5.0 772 531 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 773 531 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 5.0 774 531 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 775 532 A 45 VAL HGy% A 67 PHE HBx 1.0 1.8 5.0 776 532 A 45 VAL HGx% A 67 PHE HBx 1.0 1.8 5.0 777 532 A 67 PHE HBy A 45 VAL HGx% 1.0 1.8 5.0 778 532 A 67 PHE HBy A 45 VAL HGy% 1.0 1.8 5.0 779 533 A 45 VAL HGy% A 71 ASP HBx 1.0 1.8 5.0 780 533 A 45 VAL HGx% A 71 ASP HBx 1.0 1.8 5.0 781 533 A 71 ASP HBy A 45 VAL HGx% 1.0 1.8 5.0 782 533 A 71 ASP HBy A 45 VAL HGy% 1.0 1.8 5.0 783 534 A 79 ASP H A 78 ILE HG2% 1.0 1.8 5.0 784 534 A 79 ASP H A 78 ILE HG12 1.0 1.8 5.0 785 534 A 79 ASP H A 78 ILE HG13 1.0 1.8 5.0 786 535 A 79 ASP H A 78 ILE HG12 1.0 1.8 6.0 787 536 A 78 ILE HD1% A 80 TYR HA 1.0 1.8 5.0 788 537 A 78 ILE HD1% A 71 ASP HBx 1.0 1.8 5.0 789 537 A 78 ILE HD1% A 71 ASP HBy 1.0 1.8 5.0 790 538 A 78 ILE HD1% A 67 PHE HBx 1.0 1.8 5.0 791 538 A 67 PHE HBy A 78 ILE HD1% 1.0 1.8 5.0 792 539 A 78 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 793 539 A 78 ILE HD1% A 48 PHE HBy 1.0 1.8 5.0 794 540 A 78 ILE HD1% A 71 ASP HBx 1.0 1.8 5.0 795 540 A 78 ILE HD1% A 71 ASP HBy 1.0 1.8 5.0 796 541 A 78 ILE HD1% A 71 ASP H 1.0 1.8 6.0 797 542 A 83 PHE H A 78 ILE HG13 1.0 1.8 5.0 798 542 A 83 PHE H A 78 ILE HG2% 1.0 1.8 5.0 799 542 A 83 PHE H A 78 ILE HG12 1.0 1.8 5.0 800 543 A 42 PHE H A 41 GLY HAx 1.0 1.8 5.0 801 543 A 42 PHE H A 41 GLY HAy 1.0 1.8 5.0 802 544 A 42 PHE H A 41 GLY HAx 1.0 1.8 3.0 803 544 A 42 PHE H A 41 GLY HAy 1.0 1.8 3.0 804 545 A 80 TYR HE% A 41 GLY HAx 1.0 1.8 5.0 805 545 A 41 GLY HAy A 80 TYR HE% 1.0 1.8 5.0 806 546 A 80 TYR HE% A 41 GLY HAx 1.0 1.8 5.0 807 546 A 41 GLY HAy A 80 TYR HE% 1.0 1.8 5.0 808 547 A 41 GLY HAx A 80 TYR HBx 1.0 1.8 5.0 809 547 A 41 GLY HAy A 80 TYR HBx 1.0 1.8 5.0 810 547 A 80 TYR HBy A 41 GLY HAx 1.0 1.8 5.0 811 547 A 41 GLY HAy A 80 TYR HBy 1.0 1.8 5.0 812 548 A 41 GLY HAy A 80 TYR HBx 1.0 1.8 5.0 813 548 A 41 GLY HAx A 80 TYR HBx 1.0 1.8 5.0 814 548 A 80 TYR HBy A 41 GLY HAx 1.0 1.8 5.0 815 548 A 41 GLY HAy A 80 TYR HBy 1.0 1.8 5.0 816 549 A 40 ASP HBx A 41 GLY HAx 1.0 1.8 5.0 817 549 A 41 GLY HAy A 40 ASP HBx 1.0 1.8 5.0 818 549 A 41 GLY HAy A 40 ASP HBy 1.0 1.8 5.0 819 549 A 40 ASP HBy A 41 GLY HAx 1.0 1.8 5.0 820 550 A 40 ASP HBx A 41 GLY HAx 1.0 1.8 6.0 821 550 A 41 GLY HAy A 40 ASP HBx 1.0 1.8 6.0 822 550 A 41 GLY HAy A 40 ASP HBy 1.0 1.8 6.0 823 550 A 40 ASP HBy A 41 GLY HAx 1.0 1.8 6.0 824 551 A 28 LEU H A 25 LYS HBx 1.0 1.8 5.0 825 551 A 28 LEU H A 25 LYS HBy 1.0 1.8 5.0 826 552 A 25 LYS HBy A 28 LEU HDx% 1.0 1.8 5.0 827 552 A 25 LYS HBx A 28 LEU HDx% 1.0 1.8 5.0 828 552 A 28 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 829 552 A 25 LYS HBy A 28 LEU HDy% 1.0 1.8 5.0 830 553 A 25 LYS HBy A 87 LEU HDx% 1.0 1.8 5.0 831 553 A 25 LYS HBx A 87 LEU HDx% 1.0 1.8 5.0 832 553 A 87 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 833 553 A 25 LYS HBy A 87 LEU HDy% 1.0 1.8 5.0 834 554 A 26 THR HB A 23 ASP HBx 1.0 1.8 6.0 835 554 A 23 ASP HBy A 26 THR HB 1.0 1.8 6.0 836 555 A 23 ASP HA A 26 THR HB 1.0 1.8 5.0 837 556 A 23 ASP HA A 26 THR HG2% 1.0 1.8 5.0 838 557 A 25 LYS H A 24 GLU HA 1.0 1.8 3.0 839 558 A 24 GLU HA A 23 ASP HBx 1.0 1.8 5.0 840 558 A 23 ASP HBy A 24 GLU HA 1.0 1.8 5.0 841 559 A 88 TYR H A 87 LEU HDx% 1.0 1.8 5.0 842 559 A 88 TYR H A 87 LEU HDy% 1.0 1.8 5.0 843 560 A 25 LYS HEy A 87 LEU HDx% 1.0 1.8 5.0 844 560 A 25 LYS HEx A 87 LEU HDx% 1.0 1.8 5.0 845 560 A 87 LEU HDy% A 25 LYS HEx 1.0 1.8 5.0 846 560 A 87 LEU HDy% A 25 LYS HEy 1.0 1.8 5.0 847 561 A 84 ALA HA A 87 LEU HDx% 1.0 1.8 5.0 848 561 A 84 ALA HA A 87 LEU HDy% 1.0 1.8 5.0 849 562 A 25 LYS HBy A 87 LEU HDx% 1.0 1.8 5.0 850 562 A 25 LYS HBx A 87 LEU HDx% 1.0 1.8 5.0 851 562 A 87 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 852 562 A 25 LYS HBy A 87 LEU HDy% 1.0 1.8 5.0 853 563 A 28 LEU HBy A 87 LEU HDx% 1.0 1.8 3.0 854 563 A 87 LEU HDy% A 28 LEU HBx 1.0 1.8 3.0 855 563 A 28 LEU HBy A 87 LEU HDy% 1.0 1.8 3.0 856 563 A 28 LEU HBx A 87 LEU HDx% 1.0 1.8 3.0 857 564 A 28 LEU HBy A 87 LEU HDx% 1.0 1.8 3.0 858 564 A 87 LEU HDy% A 28 LEU HBx 1.0 1.8 3.0 859 564 A 28 LEU HBy A 87 LEU HDy% 1.0 1.8 3.0 860 564 A 28 LEU HBx A 87 LEU HDx% 1.0 1.8 3.0 861 565 A 25 LYS HGy A 87 LEU HDx% 1.0 1.8 5.0 862 565 A 25 LYS HGx A 87 LEU HDx% 1.0 1.8 5.0 863 565 A 87 LEU HDy% A 25 LYS HGx 1.0 1.8 5.0 864 565 A 25 LYS HGy A 87 LEU HDy% 1.0 1.8 5.0 865 566 A 25 LYS HEy A 87 LEU HDx% 1.0 1.8 5.0 866 566 A 25 LYS HEx A 87 LEU HDx% 1.0 1.8 5.0 867 566 A 87 LEU HDy% A 25 LYS HEx 1.0 1.8 5.0 868 566 A 87 LEU HDy% A 25 LYS HEy 1.0 1.8 5.0 869 567 A 25 LYS HEy A 87 LEU HDx% 1.0 1.8 5.0 870 567 A 25 LYS HEx A 87 LEU HDx% 1.0 1.8 5.0 871 567 A 87 LEU HDy% A 25 LYS HEx 1.0 1.8 5.0 872 567 A 87 LEU HDy% A 25 LYS HEy 1.0 1.8 5.0 873 568 A 25 LYS HEx A 28 LEU HDx% 1.0 1.8 5.0 874 568 A 25 LYS HEy A 28 LEU HDx% 1.0 1.8 5.0 875 568 A 28 LEU HDy% A 25 LYS HEx 1.0 1.8 5.0 876 568 A 28 LEU HDy% A 25 LYS HEy 1.0 1.8 5.0 877 569 A 25 LYS HBy A 87 LEU HDx% 1.0 1.8 5.0 878 569 A 25 LYS HBx A 87 LEU HDx% 1.0 1.8 5.0 879 569 A 87 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 880 569 A 25 LYS HBy A 87 LEU HDy% 1.0 1.8 5.0 881 570 A 28 LEU HBy A 87 LEU HDx% 1.0 1.8 5.0 882 570 A 87 LEU HDy% A 28 LEU HBx 1.0 1.8 5.0 883 570 A 28 LEU HBy A 87 LEU HDy% 1.0 1.8 5.0 884 570 A 28 LEU HBx A 87 LEU HDx% 1.0 1.8 5.0 885 571 A 28 LEU HBy A 87 LEU HDx% 1.0 1.8 5.0 886 571 A 87 LEU HDy% A 28 LEU HBx 1.0 1.8 5.0 887 571 A 28 LEU HBy A 87 LEU HDy% 1.0 1.8 5.0 888 571 A 28 LEU HBx A 87 LEU HDx% 1.0 1.8 5.0 889 572 A 25 LYS HBy A 28 LEU HDx% 1.0 1.8 5.0 890 572 A 25 LYS HBx A 28 LEU HDx% 1.0 1.8 5.0 891 572 A 28 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 892 572 A 25 LYS HBy A 28 LEU HDy% 1.0 1.8 5.0 893 573 A 31 ALA HB% A 28 LEU HDx% 1.0 1.8 3.0 894 573 A 31 ALA HB% A 28 LEU HDy% 1.0 1.8 3.0 895 574 A 88 TYR H A 87 LEU HA 1.0 1.8 3.0 896 575 A 89 SER H A 87 LEU HA 1.0 1.8 6.0 897 576 A 29 ILE H A 26 THR HG2% 1.0 1.8 5.0 898 576 A 29 ILE H A 26 THR HG1 1.0 1.8 5.0 899 577 A 27 GLN H A 26 THR HG2% 1.0 1.8 5.0 900 577 A 27 GLN H A 26 THR HG1 1.0 1.8 5.0 901 578 A 30 GLU HA A 33 TYR HD% 1.0 1.8 5.0 902 579 A 30 GLU HA A 33 TYR HE% 1.0 1.8 6.0 903 580 A 30 GLU HA A 33 TYR HBx 1.0 1.8 5.0 904 580 A 30 GLU HA A 33 TYR HBy 1.0 1.8 5.0 905 581 A 29 ILE H A 26 THR HB 1.0 1.8 5.0 906 582 A 27 GLN H A 26 THR HB 1.0 1.8 5.0 907 583 A 29 ILE H A 26 THR HA 1.0 1.8 5.0 908 584 A 27 GLN H A 26 THR HA 1.0 1.8 5.0 909 585 A 43 VAL H A 42 PHE HBx 1.0 1.8 5.0 910 585 A 43 VAL H A 42 PHE HBy 1.0 1.8 5.0 911 586 A 26 THR H A 28 LEU HBx 1.0 1.8 6.0 912 586 A 26 THR H A 28 LEU HBy 1.0 1.8 6.0 913 587 A 26 THR H A 28 LEU HBx 1.0 1.8 5.0 914 587 A 26 THR H A 28 LEU HBy 1.0 1.8 5.0 915 588 A 25 LYS HEx A 28 LEU HDx% 1.0 1.8 5.0 916 588 A 25 LYS HEy A 28 LEU HDx% 1.0 1.8 5.0 917 588 A 28 LEU HDy% A 25 LYS HEx 1.0 1.8 5.0 918 588 A 28 LEU HDy% A 25 LYS HEy 1.0 1.8 5.0 919 589 A 25 LYS HBy A 28 LEU HDx% 1.0 1.8 5.0 920 589 A 25 LYS HBx A 28 LEU HDx% 1.0 1.8 5.0 921 589 A 28 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 922 589 A 25 LYS HBy A 28 LEU HDy% 1.0 1.8 5.0 923 590 A 30 GLU H A 29 ILE HA 1.0 1.8 3.0 924 591 A 29 ILE HA A 32 PHE HD% 1.0 1.8 5.0 925 592 A 29 ILE HA A 25 LYS HEx 1.0 1.8 5.0 926 592 A 29 ILE HA A 25 LYS HEy 1.0 1.8 5.0 927 593 A 29 ILE HA A 87 LEU HDx% 1.0 1.8 5.0 928 593 A 29 ILE HA A 87 LEU HDy% 1.0 1.8 5.0 929 594 A 30 GLU H A 29 ILE HB 1.0 1.8 3.0 930 595 A 29 ILE HB A 27 GLN HA 1.0 1.8 5.0 931 596 A 26 THR HA A 29 ILE HB 1.0 1.8 5.0 932 597 A 30 GLU H A 29 ILE HG12 1.0 1.8 5.0 933 598 A 30 GLU H A 29 ILE HD1% 1.0 1.8 5.0 934 599 A 30 GLU H A 29 ILE HG13 1.0 1.8 5.0 935 599 A 30 GLU H A 29 ILE HG2% 1.0 1.8 5.0 936 599 A 30 GLU H A 29 ILE HG12 1.0 1.8 5.0 937 600 A 51 ILE HD1% A 47 GLU HGx 1.0 1.8 5.0 938 600 A 47 GLU HGy A 51 ILE HD1% 1.0 1.8 5.0 939 601 A 51 ILE HD1% A 47 GLU HGx 1.0 1.8 5.0 940 601 A 47 GLU HGy A 51 ILE HD1% 1.0 1.8 5.0 941 602 A 47 GLU HGy A 43 VAL HGy% 1.0 1.8 5.0 942 602 A 43 VAL HGy% A 47 GLU HGx 1.0 1.8 5.0 943 603 A 47 GLU HGy A 43 VAL HGy% 1.0 1.8 5.0 944 603 A 43 VAL HGy% A 47 GLU HGx 1.0 1.8 5.0 945 604 A 69 ALA H A 68 GLU HGx 1.0 1.8 6.0 946 604 A 69 ALA H A 68 GLU HGy 1.0 1.8 6.0 947 605 A 31 ALA H A 30 GLU HGx 1.0 1.8 5.0 948 605 A 31 ALA H A 30 GLU HGy 1.0 1.8 5.0 949 606 A 31 ALA H A 30 GLU HGx 1.0 1.8 5.0 950 606 A 31 ALA H A 30 GLU HGy 1.0 1.8 5.0 951 607 A 48 PHE H A 46 GLU HBx 1.0 1.8 6.0 952 607 A 48 PHE H A 46 GLU HBy 1.0 1.8 6.0 953 608 A 31 ALA HA A 34 ASN HBx 1.0 1.8 5.0 954 608 A 34 ASN HBy A 31 ALA HA 1.0 1.8 5.0 955 609 A 31 ALA HA A 34 ASN HBx 1.0 1.8 5.0 956 609 A 34 ASN HBy A 31 ALA HA 1.0 1.8 5.0 957 610 A 25 LYS HA A 87 LEU HDx% 1.0 1.8 6.0 958 610 A 87 LEU HDy% A 25 LYS HA 1.0 1.8 6.0 959 611 A 26 THR H A 25 LYS HA 1.0 1.8 5.0 960 612 A 67 PHE HA A 45 VAL HGx% 1.0 1.8 5.0 961 612 A 45 VAL HGy% A 67 PHE HA 1.0 1.8 5.0 962 613 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 6.0 963 613 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 6.0 964 613 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 6.0 965 613 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 6.0 966 614 A 45 VAL HGx% A 48 PHE HBx 1.0 1.8 5.0 967 614 A 48 PHE HBy A 45 VAL HGx% 1.0 1.8 5.0 968 614 A 48 PHE HBy A 45 VAL HGy% 1.0 1.8 5.0 969 614 A 45 VAL HGy% A 48 PHE HBx 1.0 1.8 5.0 970 615 A 52 ILE H A 51 ILE HB 1.0 1.8 5.0 971 616 A 48 PHE HA A 51 ILE HB 1.0 1.8 5.0 972 617 A 52 ILE H A 51 ILE HA 1.0 1.8 5.0 973 618 A 51 ILE HA A 54 ASP HBx 1.0 1.8 5.0 974 618 A 54 ASP HBy A 51 ILE HA 1.0 1.8 5.0 975 619 A 51 ILE HA A 54 ASP HBx 1.0 1.8 5.0 976 619 A 54 ASP HBy A 51 ILE HA 1.0 1.8 5.0 977 620 A 48 PHE H A 51 ILE HD1% 1.0 1.8 6.0 978 621 A 52 ILE H A 51 ILE HD1% 1.0 1.8 5.0 979 622 A 48 PHE HA A 51 ILE HD1% 1.0 1.8 3.0 980 623 A 52 ILE H A 51 ILE HG13 1.0 1.8 5.0 981 623 A 52 ILE H A 51 ILE HG2% 1.0 1.8 5.0 982 623 A 52 ILE H A 51 ILE HG12 1.0 1.8 5.0 983 624 A 48 PHE HA A 51 ILE HG2% 1.0 1.8 5.0 984 624 A 48 PHE HA A 51 ILE HG12 1.0 1.8 5.0 985 624 A 48 PHE HA A 51 ILE HG13 1.0 1.8 5.0 986 625 A 50 GLY H A 49 ARG HA 1.0 1.8 5.0 987 626 A 52 ILE H A 49 ARG HA 1.0 1.8 5.0 988 627 A 52 ILE HD1% A 49 ARG HA 1.0 1.8 5.0 989 628 A 49 ARG HA A 52 ILE HG2% 1.0 1.8 5.0 990 629 A 45 VAL HA A 67 PHE HE% 1.0 1.8 5.0 991 630 A 48 PHE H A 45 VAL HA 1.0 1.8 5.0 992 631 A 45 VAL HA A 48 PHE HBx 1.0 1.8 5.0 993 631 A 45 VAL HA A 48 PHE HBy 1.0 1.8 5.0 994 632 A 45 VAL HB A 76 GLY HAx 1.0 1.8 5.0 995 632 A 76 GLY HAy A 45 VAL HB 1.0 1.8 5.0 996 633 A 49 ARG HDy A 45 VAL HGx% 1.0 1.8 5.0 997 633 A 45 VAL HGx% A 49 ARG HDx 1.0 1.8 5.0 998 634 A 49 ARG HDy A 45 VAL HGx% 1.0 1.8 6.0 999 634 A 45 VAL HGx% A 49 ARG HDx 1.0 1.8 6.0 1000 635 A 78 ILE H A 77 PHE HBx 1.0 1.8 6.0 1001 635 A 78 ILE H A 77 PHE HBy 1.0 1.8 6.0 1002 636 A 75 THR HG2% A 73 ASN HD2x 1.0 1.8 5.0 1003 636 A 75 THR HG1 A 73 ASN HD2x 1.0 1.8 5.0 1004 636 A 73 ASN HD2y A 75 THR HG1 1.0 1.8 5.0 1005 636 A 73 ASN HD2y A 75 THR HG2% 1.0 1.8 5.0 1006 637 A 73 ASN HD2y A 75 THR HG2% 1.0 1.8 5.0 1007 637 A 73 ASN HD2y A 75 THR HG1 1.0 1.8 5.0 1008 638 A 53 ARG H A 52 ILE HD1% 1.0 1.8 5.0 1009 639 A 52 ILE HD1% A 49 ARG HA 1.0 1.8 5.0 1010 640 A 63 ILE HA A 52 ILE HD1% 1.0 1.8 6.0 1011 641 A 52 ILE HD1% A 58 MET HGx 1.0 1.8 5.0 1012 641 A 58 MET HGy A 52 ILE HD1% 1.0 1.8 5.0 1013 642 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1014 642 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1015 642 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1016 642 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1017 643 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1018 643 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1019 643 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1020 643 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1021 644 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 3.0 1022 644 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 3.0 1023 644 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 3.0 1024 644 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 3.0 1025 645 A 56 LEU H A 57 PRO HDx 1.0 1.8 6.0 1026 645 A 56 LEU H A 57 PRO HDy 1.0 1.8 6.0 1027 646 A 56 LEU H A 57 PRO HDx 1.0 1.8 5.0 1028 646 A 56 LEU H A 57 PRO HDy 1.0 1.8 5.0 1029 647 A 58 MET H A 57 PRO HDx 1.0 1.8 6.0 1030 647 A 58 MET H A 57 PRO HDy 1.0 1.8 6.0 1031 648 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1032 648 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1033 648 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1034 648 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1035 649 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1036 649 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1037 649 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1038 649 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1039 650 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1040 650 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1041 650 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1042 650 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1043 651 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 1044 651 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 1045 651 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 1046 651 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 1047 652 A 47 GLU H A 46 GLU HA 1.0 1.8 5.0 1048 653 A 48 PHE H A 46 GLU HA 1.0 1.8 5.0 1049 654 A 46 GLU HA A 45 VAL HGx% 1.0 1.8 5.0 1050 655 A 47 GLU H A 46 GLU HBx 1.0 1.8 3.0 1051 655 A 47 GLU H A 46 GLU HBy 1.0 1.8 3.0 1052 656 A 46 GLU HBy A 45 VAL HGx% 1.0 1.8 6.0 1053 656 A 45 VAL HGx% A 46 GLU HBx 1.0 1.8 6.0 1054 657 A 45 VAL HGy% A 46 GLU HGy 1.0 1.8 5.0 1055 657 A 45 VAL HGy% A 46 GLU HGx 1.0 1.8 5.0 1056 658 A 46 GLU HGy A 45 VAL HGx% 1.0 1.8 5.0 1057 658 A 45 VAL HGx% A 46 GLU HGx 1.0 1.8 5.0 1058 659 A 46 GLU HGy A 49 ARG HDx 1.0 1.8 5.0 1059 659 A 46 GLU HGx A 49 ARG HDx 1.0 1.8 5.0 1060 659 A 49 ARG HDy A 46 GLU HGx 1.0 1.8 5.0 1061 659 A 49 ARG HDy A 46 GLU HGy 1.0 1.8 5.0 1062 660 A 62 GLU H A 59 THR HG2% 1.0 1.8 5.0 1063 660 A 62 GLU H A 59 THR HG1 1.0 1.8 5.0 1064 661 A 61 ALA H A 59 THR HG2% 1.0 1.8 5.0 1065 661 A 61 ALA H A 59 THR HG1 1.0 1.8 5.0 1066 662 A 61 ALA H A 59 THR HA 1.0 1.8 5.0 1067 663 A 62 GLU H A 59 THR HA 1.0 1.8 6.0 1068 664 A 61 ALA H A 60 GLU HBx 1.0 1.8 3.0 1069 664 A 61 ALA H A 60 GLU HBy 1.0 1.8 3.0 1070 665 A 62 GLU H A 60 GLU HBx 1.0 1.8 6.0 1071 665 A 62 GLU H A 60 GLU HBy 1.0 1.8 6.0 1072 666 A 61 ALA H A 60 GLU HBx 1.0 1.8 5.0 1073 666 A 61 ALA H A 60 GLU HBy 1.0 1.8 5.0 1074 667 A 61 ALA H A 60 GLU HGx 1.0 1.8 5.0 1075 667 A 61 ALA H A 60 GLU HGy 1.0 1.8 5.0 1076 668 A 61 ALA H A 60 GLU HA 1.0 1.8 5.0 1077 669 A 62 GLU H A 60 GLU HA 1.0 1.8 6.0 1078 670 A 62 GLU H A 61 ALA HA 1.0 1.8 5.0 1079 671 A 65 GLU H A 61 ALA HA 1.0 1.8 5.0 1080 672 A 60 GLU H A 61 ALA HA 1.0 1.8 6.0 1081 673 A 60 GLU H A 61 ALA HB% 1.0 1.8 5.0 1082 674 A 56 LEU HDx% A 57 PRO HDx 1.0 1.8 5.0 1083 674 A 56 LEU HDy% A 57 PRO HDx 1.0 1.8 5.0 1084 674 A 57 PRO HDy A 56 LEU HDx% 1.0 1.8 5.0 1085 674 A 57 PRO HDy A 56 LEU HDy% 1.0 1.8 5.0 1086 675 A 56 LEU HDy% A 57 PRO HDx 1.0 1.8 5.0 1087 675 A 56 LEU HDx% A 57 PRO HDx 1.0 1.8 5.0 1088 675 A 57 PRO HDy A 56 LEU HDx% 1.0 1.8 5.0 1089 675 A 57 PRO HDy A 56 LEU HDy% 1.0 1.8 5.0 1090 676 A 56 LEU HDy% A 58 MET HGx 1.0 1.8 5.0 1091 676 A 58 MET HGy A 56 LEU HDx% 1.0 1.8 5.0 1092 676 A 58 MET HGy A 56 LEU HDy% 1.0 1.8 5.0 1093 676 A 56 LEU HDx% A 58 MET HGx 1.0 1.8 5.0 1094 677 A 56 LEU HDx% A 58 MET HGx 1.0 1.8 5.0 1095 677 A 56 LEU HDy% A 58 MET HGx 1.0 1.8 5.0 1096 677 A 58 MET HGy A 56 LEU HDx% 1.0 1.8 5.0 1097 677 A 58 MET HGy A 56 LEU HDy% 1.0 1.8 5.0 1098 678 A 31 ALA HA A 34 ASN HBx 1.0 1.8 5.0 1099 678 A 34 ASN HBy A 31 ALA HA 1.0 1.8 5.0 1100 679 A 31 ALA HA A 34 ASN HBx 1.0 1.8 6.0 1101 679 A 34 ASN HBy A 31 ALA HA 1.0 1.8 6.0 1102 680 A 35 PHE H A 34 ASN HA 1.0 1.8 3.0 1103 681 A 34 ASN HA A 33 TYR HA 1.0 1.8 6.0 1104 682 A 72 PRO HA A 71 ASP H 1.0 1.8 6.0 1105 683 A 45 VAL H A 44 SER HBx 1.0 1.8 5.0 1106 683 A 45 VAL H A 44 SER HBy 1.0 1.8 5.0 1107 684 A 45 VAL H A 44 SER HBx 1.0 1.8 5.0 1108 684 A 45 VAL H A 44 SER HBy 1.0 1.8 5.0 1109 685 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 1110 685 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 1111 685 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 1112 685 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 1113 686 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 1114 686 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 1115 686 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 1116 686 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 1117 687 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 1118 687 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 1119 687 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 1120 687 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 1121 688 A 65 GLU H A 62 GLU HA 1.0 1.8 5.0 1122 689 A 63 ILE H A 62 GLU HA 1.0 1.8 5.0 1123 690 A 66 PHE H A 63 ILE HA 1.0 1.8 5.0 1124 691 A 64 THR H A 63 ILE HA 1.0 1.8 5.0 1125 692 A 65 GLU H A 63 ILE HA 1.0 1.8 6.0 1126 693 A 63 ILE HA A 66 PHE HBx 1.0 1.8 3.0 1127 693 A 66 PHE HBy A 63 ILE HA 1.0 1.8 3.0 1128 694 A 63 ILE HA A 52 ILE HD1% 1.0 1.8 6.0 1129 695 A 63 ILE HB A 66 PHE HBx 1.0 1.8 6.0 1130 695 A 66 PHE HBy A 63 ILE HB 1.0 1.8 6.0 1131 696 A 64 THR H A 63 ILE HB 1.0 1.8 3.0 1132 697 A 65 GLU H A 63 ILE HD1% 1.0 1.8 5.0 1133 698 A 64 THR H A 63 ILE HD1% 1.0 1.8 5.0 1134 699 A 66 PHE H A 63 ILE HG13 1.0 1.8 6.0 1135 699 A 66 PHE H A 63 ILE HG2% 1.0 1.8 6.0 1136 699 A 66 PHE H A 63 ILE HG12 1.0 1.8 6.0 1137 700 A 65 GLU H A 63 ILE HG13 1.0 1.8 5.0 1138 700 A 65 GLU H A 63 ILE HG2% 1.0 1.8 5.0 1139 700 A 65 GLU H A 63 ILE HG12 1.0 1.8 5.0 1140 701 A 64 THR H A 63 ILE HG13 1.0 1.8 5.0 1141 701 A 64 THR H A 63 ILE HG2% 1.0 1.8 5.0 1142 701 A 64 THR H A 63 ILE HG12 1.0 1.8 5.0 1143 702 A 64 THR HA A 63 ILE HG13 1.0 1.8 5.0 1144 702 A 64 THR HA A 63 ILE HG2% 1.0 1.8 5.0 1145 702 A 63 ILE HG12 A 64 THR HA 1.0 1.8 5.0 1146 703 A 66 PHE HBy A 63 ILE HG2% 1.0 1.8 5.0 1147 703 A 63 ILE HG13 A 66 PHE HBx 1.0 1.8 5.0 1148 703 A 63 ILE HG12 A 66 PHE HBx 1.0 1.8 5.0 1149 703 A 66 PHE HBy A 63 ILE HG13 1.0 1.8 5.0 1150 703 A 66 PHE HBy A 63 ILE HG12 1.0 1.8 5.0 1151 703 A 63 ILE HG2% A 66 PHE HBx 1.0 1.8 5.0 1152 704 A 65 GLU H A 64 THR HG2% 1.0 1.8 3.0 1153 704 A 65 GLU H A 64 THR HG1 1.0 1.8 3.0 1154 705 A 64 THR HG1 A 68 GLU HGx 1.0 1.8 3.0 1155 705 A 68 GLU HGy A 64 THR HG2% 1.0 1.8 3.0 1156 705 A 68 GLU HGy A 64 THR HG1 1.0 1.8 3.0 1157 705 A 64 THR HG2% A 68 GLU HGx 1.0 1.8 3.0 1158 706 A 64 THR HG1 A 68 GLU HGx 1.0 1.8 5.0 1159 706 A 68 GLU HGy A 64 THR HG2% 1.0 1.8 5.0 1160 706 A 68 GLU HGy A 64 THR HG1 1.0 1.8 5.0 1161 706 A 64 THR HG2% A 68 GLU HGx 1.0 1.8 5.0 1162 707 A 64 THR HG2% A 68 GLU HBx 1.0 1.8 5.0 1163 707 A 64 THR HG1 A 68 GLU HBx 1.0 1.8 5.0 1164 707 A 68 GLU HBy A 64 THR HG2% 1.0 1.8 5.0 1165 707 A 68 GLU HBy A 64 THR HG1 1.0 1.8 5.0 1166 708 A 66 PHE H A 64 THR HG2% 1.0 1.8 6.0 1167 708 A 66 PHE H A 64 THR HG1 1.0 1.8 6.0 1168 709 A 47 GLU H A 48 PHE HBx 1.0 1.8 6.0 1169 709 A 47 GLU H A 48 PHE HBy 1.0 1.8 6.0 1170 710 A 47 GLU H A 48 PHE HBx 1.0 1.8 6.0 1171 710 A 47 GLU H A 48 PHE HBy 1.0 1.8 6.0 1172 711 A 45 VAL HA A 48 PHE HBx 1.0 1.8 5.0 1173 711 A 45 VAL HA A 48 PHE HBy 1.0 1.8 5.0 1174 712 A 45 VAL HA A 48 PHE HBx 1.0 1.8 5.0 1175 712 A 45 VAL HA A 48 PHE HBy 1.0 1.8 5.0 1176 713 A 48 PHE HBy A 45 VAL HGx% 1.0 1.8 5.0 1177 713 A 45 VAL HGx% A 48 PHE HBx 1.0 1.8 5.0 1178 714 A 48 PHE HBy A 45 VAL HGx% 1.0 1.8 5.0 1179 714 A 45 VAL HGx% A 48 PHE HBx 1.0 1.8 5.0 1180 715 A 48 PHE HBy A 45 VAL HGy% 1.0 1.8 5.0 1181 715 A 45 VAL HGy% A 48 PHE HBx 1.0 1.8 5.0 1182 716 A 48 PHE HBy A 45 VAL HGy% 1.0 1.8 5.0 1183 716 A 45 VAL HGy% A 48 PHE HBx 1.0 1.8 5.0 1184 717 A 48 PHE HBy A 43 VAL HGy% 1.0 1.8 5.0 1185 717 A 43 VAL HGy% A 48 PHE HBx 1.0 1.8 5.0 1186 718 A 48 PHE HBy A 43 VAL HGy% 1.0 1.8 3.0 1187 718 A 43 VAL HGy% A 48 PHE HBx 1.0 1.8 3.0 1188 719 A 51 ILE HB A 48 PHE HBx 1.0 1.8 6.0 1189 719 A 48 PHE HBy A 51 ILE HB 1.0 1.8 6.0 1190 720 A 51 ILE HB A 48 PHE HBx 1.0 1.8 6.0 1191 720 A 48 PHE HBy A 51 ILE HB 1.0 1.8 6.0 1192 721 A 56 LEU HDy% A 57 PRO HDx 1.0 1.8 5.0 1193 721 A 56 LEU HDx% A 57 PRO HDx 1.0 1.8 5.0 1194 721 A 57 PRO HDy A 56 LEU HDx% 1.0 1.8 5.0 1195 721 A 57 PRO HDy A 56 LEU HDy% 1.0 1.8 5.0 1196 722 A 56 LEU HDx% A 57 PRO HDx 1.0 1.8 5.0 1197 722 A 56 LEU HDy% A 57 PRO HDx 1.0 1.8 5.0 1198 722 A 57 PRO HDy A 56 LEU HDx% 1.0 1.8 5.0 1199 722 A 57 PRO HDy A 56 LEU HDy% 1.0 1.8 5.0 1200 723 A 84 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 1201 723 A 83 PHE HBy A 84 ALA HB% 1.0 1.8 5.0 1202 724 A 91 ASP H A 89 SER HBx 1.0 1.8 6.0 1203 724 A 91 ASP H A 89 SER HBy 1.0 1.8 6.0 1204 725 A 31 ALA HA A 35 PHE HBx 1.0 1.8 6.0 1205 725 A 35 PHE HBy A 31 ALA HA 1.0 1.8 6.0 1206 726 A 31 ALA HA A 35 PHE HBx 1.0 1.8 6.0 1207 726 A 35 PHE HBy A 31 ALA HA 1.0 1.8 6.0 1208 727 A 36 ASP H A 35 PHE HBx 1.0 1.8 5.0 1209 727 A 36 ASP H A 35 PHE HBy 1.0 1.8 5.0 1210 728 A 36 ASP H A 35 PHE HBx 1.0 1.8 5.0 1211 728 A 36 ASP H A 35 PHE HBy 1.0 1.8 5.0 1212 729 A 35 PHE HBx A 56 LEU HDx% 1.0 1.8 5.0 1213 729 A 35 PHE HBy A 56 LEU HDx% 1.0 1.8 5.0 1214 729 A 56 LEU HDy% A 35 PHE HBx 1.0 1.8 5.0 1215 729 A 35 PHE HBy A 56 LEU HDy% 1.0 1.8 5.0 1216 730 A 35 PHE HBx A 56 LEU HDx% 1.0 1.8 5.0 1217 730 A 35 PHE HBy A 56 LEU HDx% 1.0 1.8 5.0 1218 730 A 56 LEU HDy% A 35 PHE HBx 1.0 1.8 5.0 1219 730 A 35 PHE HBy A 56 LEU HDy% 1.0 1.8 5.0 1220 731 A 37 GLY H A 36 ASP HBx 1.0 1.8 5.0 1221 731 A 37 GLY H A 36 ASP HBy 1.0 1.8 5.0 1222 732 A 37 GLY H A 36 ASP HBx 1.0 1.8 6.0 1223 732 A 37 GLY H A 36 ASP HBy 1.0 1.8 6.0 1224 733 A 56 LEU H A 55 GLY HAx 1.0 1.8 5.0 1225 733 A 56 LEU H A 55 GLY HAy 1.0 1.8 5.0 1226 734 A 55 GLY HAy A 52 ILE HG2% 1.0 1.8 6.0 1227 734 A 52 ILE HG2% A 55 GLY HAx 1.0 1.8 6.0 1228 735 A 87 LEU H A 88 TYR HBx 1.0 1.8 5.0 1229 735 A 87 LEU H A 88 TYR HBy 1.0 1.8 5.0 1230 736 A 87 LEU H A 88 TYR HBx 1.0 1.8 5.0 1231 736 A 87 LEU H A 88 TYR HBy 1.0 1.8 5.0 1232 737 A 69 ALA H A 68 GLU HGx 1.0 1.8 6.0 1233 737 A 69 ALA H A 68 GLU HGy 1.0 1.8 6.0 1234 738 A 68 GLU HGy A 64 THR HG2% 1.0 1.8 5.0 1235 738 A 64 THR HG2% A 68 GLU HGx 1.0 1.8 5.0 1236 739 A 68 GLU HGy A 64 THR HG2% 1.0 1.8 5.0 1237 739 A 64 THR HG2% A 68 GLU HGx 1.0 1.8 5.0 1238 740 A 69 ALA HB% A 68 GLU HBx 1.0 1.8 5.0 1239 740 A 69 ALA HB% A 68 GLU HBy 1.0 1.8 5.0 1240 741 A 68 GLU HBy A 64 THR HG2% 1.0 1.8 5.0 1241 741 A 64 THR HG2% A 68 GLU HBx 1.0 1.8 5.0 1242 742 A 68 GLU HBy A 64 THR HG2% 1.0 1.8 6.0 1243 742 A 64 THR HG2% A 68 GLU HBx 1.0 1.8 6.0 1244 743 A 69 ALA H A 68 GLU HBx 1.0 1.8 5.0 1245 743 A 69 ALA H A 68 GLU HBy 1.0 1.8 5.0 1246 744 A 69 ALA H A 68 GLU HBx 1.0 1.8 5.0 1247 744 A 69 ALA H A 68 GLU HBy 1.0 1.8 5.0 1248 745 A 69 ALA HB% A 68 GLU HGx 1.0 1.8 6.0 1249 745 A 69 ALA HB% A 68 GLU HGy 1.0 1.8 6.0 1250 746 A 85 ALA HA A 88 TYR HD% 1.0 1.8 6.0 1251 747 A 85 ALA HA A 88 TYR HE% 1.0 1.8 6.0 1252 748 A 86 MET H A 85 ALA HA 1.0 1.8 3.0 1253 749 A 89 SER HA A 85 ALA HA 1.0 1.8 5.0 1254 750 A 84 ALA HA A 85 ALA HA 1.0 1.8 5.0 1255 751 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 1256 751 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 1257 752 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 1258 752 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 1259 753 A 53 ARG H A 52 ILE HG13 1.0 1.8 5.0 1260 753 A 53 ARG H A 52 ILE HG2% 1.0 1.8 5.0 1261 753 A 53 ARG H A 52 ILE HG12 1.0 1.8 5.0 1262 754 A 56 LEU H A 52 ILE HG13 1.0 1.8 5.0 1263 754 A 56 LEU H A 52 ILE HG2% 1.0 1.8 5.0 1264 754 A 56 LEU H A 52 ILE HG12 1.0 1.8 5.0 1265 755 A 52 ILE HG13 A 55 GLY HAx 1.0 1.8 5.0 1266 755 A 55 GLY HAy A 52 ILE HG2% 1.0 1.8 5.0 1267 755 A 55 GLY HAy A 52 ILE HG12 1.0 1.8 5.0 1268 755 A 52 ILE HG2% A 55 GLY HAx 1.0 1.8 5.0 1269 755 A 52 ILE HG12 A 55 GLY HAx 1.0 1.8 5.0 1270 755 A 55 GLY HAy A 52 ILE HG13 1.0 1.8 5.0 1271 756 A 63 ILE HA A 52 ILE HG13 1.0 1.8 5.0 1272 756 A 63 ILE HA A 52 ILE HG2% 1.0 1.8 5.0 1273 756 A 63 ILE HA A 52 ILE HG12 1.0 1.8 5.0 1274 757 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 5.0 1275 757 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 5.0 1276 757 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 5.0 1277 757 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 5.0 1278 758 A 50 GLY HAx A 53 ARG HGx 1.0 1.8 6.0 1279 758 A 53 ARG HGy A 50 GLY HAx 1.0 1.8 6.0 1280 758 A 50 GLY HAy A 53 ARG HGy 1.0 1.8 6.0 1281 758 A 50 GLY HAy A 53 ARG HGx 1.0 1.8 6.0 1282 759 A 71 ASP H A 78 ILE HG13 1.0 1.8 6.0 1283 759 A 71 ASP H A 78 ILE HG2% 1.0 1.8 6.0 1284 759 A 71 ASP H A 78 ILE HG12 1.0 1.8 6.0 1285 760 A 80 TYR H A 78 ILE HG13 1.0 1.8 6.0 1286 760 A 80 TYR H A 78 ILE HG2% 1.0 1.8 6.0 1287 760 A 80 TYR H A 78 ILE HG12 1.0 1.8 6.0 1288 761 A 62 GLU H A 59 THR HB 1.0 1.8 5.0 1289 762 A 61 ALA H A 59 THR HB 1.0 1.8 5.0 1290 763 A 60 GLU H A 59 THR HB 1.0 1.8 3.0 1291 764 A 74 ASN H A 73 ASN HA 1.0 1.8 5.0 1292 765 A 73 ASN HA A 75 THR HG2% 1.0 1.8 5.0 1293 766 A 73 ASN HA A 72 PRO HGx 1.0 1.8 5.0 1294 766 A 72 PRO HGy A 73 ASN HA 1.0 1.8 5.0 1295 767 A 73 ASN H A 75 THR HG2% 1.0 1.8 5.0 1296 767 A 73 ASN H A 75 THR HG1 1.0 1.8 5.0 1297 768 A 90 VAL H A 88 TYR HA 1.0 1.8 5.0 1298 769 A 77 PHE HA A 44 SER HA 1.0 1.8 5.0 1299 770 A 45 VAL HB A 44 SER HA 1.0 1.8 5.0 1300 771 A 44 SER HA A 45 VAL HGy% 1.0 1.8 5.0 1301 772 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 5.0 1302 772 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 1303 772 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 5.0 1304 772 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 1305 773 A 45 VAL HGy% A 71 ASP HBx 1.0 1.8 5.0 1306 773 A 45 VAL HGx% A 71 ASP HBx 1.0 1.8 5.0 1307 773 A 71 ASP HBy A 45 VAL HGx% 1.0 1.8 5.0 1308 773 A 71 ASP HBy A 45 VAL HGy% 1.0 1.8 5.0 1309 774 A 66 PHE HD% A 67 PHE HA 1.0 1.8 6.0 1310 775 A 70 ALA H A 67 PHE HA 1.0 1.8 5.0 1311 776 A 68 GLU H A 67 PHE HA 1.0 1.8 5.0 1312 777 A 67 PHE HA A 45 VAL HGx% 1.0 1.8 5.0 1313 778 A 45 VAL HGy% A 67 PHE HA 1.0 1.8 5.0 1314 779 A 70 ALA HB% A 67 PHE HA 1.0 1.8 3.0 1315 780 A 78 ILE HD1% A 45 VAL HA 1.0 1.8 6.0 1316 781 A 83 PHE H A 78 ILE HD1% 1.0 1.8 6.0 1317 782 A 68 GLU H A 66 PHE HBx 1.0 1.8 5.0 1318 782 A 68 GLU H A 66 PHE HBy 1.0 1.8 5.0 1319 783 A 68 GLU H A 66 PHE HBx 1.0 1.8 5.0 1320 783 A 68 GLU H A 66 PHE HBy 1.0 1.8 5.0 1321 784 A 65 GLU H A 66 PHE HBx 1.0 1.8 5.0 1322 784 A 65 GLU H A 66 PHE HBy 1.0 1.8 5.0 1323 785 A 65 GLU H A 66 PHE HBx 1.0 1.8 5.0 1324 785 A 65 GLU H A 66 PHE HBy 1.0 1.8 5.0 1325 786 A 67 PHE H A 66 PHE HBx 1.0 1.8 5.0 1326 786 A 67 PHE H A 66 PHE HBy 1.0 1.8 5.0 1327 787 A 67 PHE H A 66 PHE HBx 1.0 1.8 5.0 1328 787 A 67 PHE H A 66 PHE HBy 1.0 1.8 5.0 1329 788 A 63 ILE HA A 66 PHE HBx 1.0 1.8 5.0 1330 788 A 66 PHE HBy A 63 ILE HA 1.0 1.8 5.0 1331 789 A 63 ILE HA A 66 PHE HBx 1.0 1.8 5.0 1332 789 A 66 PHE HBy A 63 ILE HA 1.0 1.8 5.0 1333 790 A 69 ALA H A 66 PHE HA 1.0 1.8 5.0 1334 791 A 67 PHE H A 66 PHE HA 1.0 1.8 5.0 1335 792 A 68 GLU H A 66 PHE HA 1.0 1.8 6.0 1336 793 A 65 GLU H A 66 PHE HA 1.0 1.8 5.0 1337 794 A 63 ILE HA A 66 PHE HA 1.0 1.8 6.0 1338 795 A 25 LYS HA A 87 LEU HDx% 1.0 1.8 6.0 1339 795 A 87 LEU HDy% A 25 LYS HA 1.0 1.8 6.0 1340 796 A 79 ASP H A 82 ALA HB% 1.0 1.8 5.0 1341 797 A 51 ILE HA A 54 ASP HBx 1.0 1.8 5.0 1342 797 A 54 ASP HBy A 51 ILE HA 1.0 1.8 5.0 1343 798 A 51 ILE HA A 54 ASP HBx 1.0 1.8 5.0 1344 798 A 54 ASP HBy A 51 ILE HA 1.0 1.8 5.0 1345 799 A 52 ILE H A 51 ILE HG12 1.0 1.8 5.0 1346 800 A 52 ILE H A 51 ILE HG13 1.0 1.8 6.0 1347 800 A 52 ILE H A 51 ILE HG2% 1.0 1.8 6.0 1348 800 A 52 ILE H A 51 ILE HG12 1.0 1.8 6.0 1349 801 A 48 PHE HA A 51 ILE HG12 1.0 1.8 5.0 1350 802 A 48 PHE HA A 51 ILE HG2% 1.0 1.8 6.0 1351 802 A 48 PHE HA A 51 ILE HG12 1.0 1.8 6.0 1352 802 A 48 PHE HA A 51 ILE HG13 1.0 1.8 6.0 1353 803 A 53 ARG H A 52 ILE HA 1.0 1.8 5.0 1354 804 A 56 LEU H A 52 ILE HA 1.0 1.8 5.0 1355 805 A 53 ARG H A 52 ILE HB 1.0 1.8 5.0 1356 806 A 53 ARG H A 52 ILE HG13 1.0 1.8 5.0 1357 806 A 53 ARG H A 52 ILE HG2% 1.0 1.8 5.0 1358 806 A 53 ARG H A 52 ILE HG12 1.0 1.8 5.0 1359 807 A 53 ARG H A 52 ILE HG12 1.0 1.8 5.0 1360 808 A 49 ARG HA A 52 ILE HG12 1.0 1.8 5.0 1361 809 A 49 ARG HA A 52 ILE HG13 1.0 1.8 5.0 1362 809 A 49 ARG HA A 52 ILE HG2% 1.0 1.8 5.0 1363 809 A 49 ARG HA A 52 ILE HG12 1.0 1.8 5.0 1364 810 A 52 ILE HD1% A 58 MET HGx 1.0 1.8 6.0 1365 810 A 58 MET HGy A 52 ILE HD1% 1.0 1.8 6.0 1366 811 A 52 ILE HD1% A 55 GLY HAx 1.0 1.8 6.0 1367 811 A 55 GLY HAy A 52 ILE HD1% 1.0 1.8 6.0 1368 812 A 80 TYR H A 43 VAL HGx% 1.0 1.8 6.0 1369 812 A 80 TYR H A 43 VAL HGy% 1.0 1.8 6.0 1370 813 A 48 PHE H A 43 VAL HGx% 1.0 1.8 5.0 1371 813 A 48 PHE H A 43 VAL HGy% 1.0 1.8 5.0 1372 814 A 42 PHE H A 43 VAL HGx% 1.0 1.8 5.0 1373 814 A 42 PHE H A 43 VAL HGy% 1.0 1.8 5.0 1374 815 A 71 ASP H A 72 PRO HGx 1.0 1.8 6.0 1375 815 A 72 PRO HGy A 71 ASP H 1.0 1.8 6.0 1376 816 A 76 GLY H A 75 THR HA 1.0 1.8 6.0 1377 817 A 45 VAL HB A 76 GLY HAx 1.0 1.8 6.0 1378 817 A 76 GLY HAy A 45 VAL HB 1.0 1.8 6.0 1379 818 A 66 PHE H A 64 THR HB 1.0 1.8 5.0 1380 819 A 67 PHE H A 64 THR HB 1.0 1.8 5.0 1381 820 A 82 ALA H A 79 ASP HBx 1.0 1.8 5.0 1382 820 A 82 ALA H A 79 ASP HBy 1.0 1.8 5.0 1383 821 A 82 ALA H A 79 ASP HBx 1.0 1.8 5.0 1384 821 A 82 ALA H A 79 ASP HBy 1.0 1.8 5.0 1385 822 A 68 GLU H A 67 PHE HBx 1.0 1.8 5.0 1386 822 A 68 GLU H A 67 PHE HBy 1.0 1.8 5.0 1387 823 A 68 GLU H A 67 PHE HBx 1.0 1.8 5.0 1388 823 A 68 GLU H A 67 PHE HBy 1.0 1.8 5.0 1389 824 A 68 GLU H A 67 PHE HBx 1.0 1.8 5.0 1390 824 A 68 GLU H A 67 PHE HBy 1.0 1.8 5.0 1391 825 A 67 PHE HBy A 45 VAL HGx% 1.0 1.8 6.0 1392 825 A 45 VAL HGx% A 67 PHE HBx 1.0 1.8 6.0 1393 826 A 67 PHE HBy A 45 VAL HGx% 1.0 1.8 6.0 1394 826 A 45 VAL HGx% A 67 PHE HBx 1.0 1.8 6.0 1395 827 A 67 PHE HBy A 45 VAL HGy% 1.0 1.8 6.0 1396 827 A 45 VAL HGy% A 67 PHE HBx 1.0 1.8 6.0 1397 828 A 70 ALA HB% A 67 PHE HBx 1.0 1.8 5.0 1398 828 A 67 PHE HBy A 70 ALA HB% 1.0 1.8 5.0 1399 829 A 70 ALA HB% A 67 PHE HBx 1.0 1.8 6.0 1400 829 A 67 PHE HBy A 70 ALA HB% 1.0 1.8 6.0 1401 830 A 70 ALA H A 67 PHE HBx 1.0 1.8 6.0 1402 830 A 67 PHE HBy A 70 ALA H 1.0 1.8 6.0 1403 831 A 23 ASP H A 22 SER HBx 1.0 1.8 6.0 1404 831 A 23 ASP H A 22 SER HBy 1.0 1.8 6.0 1405 832 A 23 ASP H A 22 SER HBx 1.0 1.8 6.0 1406 832 A 23 ASP H A 22 SER HBy 1.0 1.8 6.0 1407 833 A 63 ILE HA A 66 PHE HD% 1.0 1.8 6.0 1408 834 A 51 ILE H A 48 PHE HA 1.0 1.8 5.0 1409 835 A 48 PHE HA A 51 ILE HB 1.0 1.8 3.0 1410 836 A 48 PHE HA A 51 ILE HG12 1.0 1.8 5.0 1411 837 A 48 PHE HA A 51 ILE HD1% 1.0 1.8 3.0 1412 838 A 48 PHE HA A 51 ILE HG13 1.0 1.8 5.0 1413 839 A 59 THR H A 57 PRO HA 1.0 1.8 6.0 1414 840 A 67 PHE HD% A 64 THR HA 1.0 1.8 5.0 1415 841 A 65 GLU H A 64 THR HA 1.0 1.8 5.0 1416 842 A 64 THR HA A 67 PHE HBx 1.0 1.8 5.0 1417 842 A 67 PHE HBy A 64 THR HA 1.0 1.8 5.0 1418 843 A 64 THR HA A 67 PHE HBx 1.0 1.8 5.0 1419 843 A 67 PHE HBy A 64 THR HA 1.0 1.8 5.0 1420 844 A 64 THR HA A 63 ILE HG2% 1.0 1.8 5.0 1421 845 A 87 LEU H A 88 TYR HA 1.0 1.8 5.0 1422 846 A 88 TYR HA A 87 LEU HBx 1.0 1.8 5.0 1423 846 A 87 LEU HBy A 88 TYR HA 1.0 1.8 5.0 1424 847 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 1425 847 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 1426 848 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 1427 848 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 1428 849 A 85 ALA HB% A 88 TYR HBx 1.0 1.8 6.0 1429 849 A 85 ALA HB% A 88 TYR HBy 1.0 1.8 6.0 1430 850 A 85 ALA HB% A 88 TYR HBx 1.0 1.8 6.0 1431 850 A 85 ALA HB% A 88 TYR HBy 1.0 1.8 6.0 1432 851 A 69 ALA H A 70 ALA HB% 1.0 1.8 5.0 1433 852 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.0 1434 852 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.0 1435 853 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.0 1436 853 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.0 1437 854 A 88 TYR H A 86 MET HGx 1.0 1.8 6.0 1438 854 A 88 TYR H A 86 MET HGy 1.0 1.8 6.0 1439 855 A 88 TYR H A 86 MET HGx 1.0 1.8 6.0 1440 855 A 88 TYR H A 86 MET HGy 1.0 1.8 6.0 1441 856 A 83 PHE HA A 86 MET HGx 1.0 1.8 6.0 1442 856 A 83 PHE HA A 86 MET HGy 1.0 1.8 6.0 1443 857 A 83 PHE HA A 86 MET HGx 1.0 1.8 5.0 1444 857 A 83 PHE HA A 86 MET HGy 1.0 1.8 5.0 1445 858 A 88 TYR H A 86 MET HBx 1.0 1.8 5.0 1446 858 A 88 TYR H A 86 MET HBy 1.0 1.8 5.0 1447 859 A 88 TYR H A 86 MET HBx 1.0 1.8 5.0 1448 859 A 88 TYR H A 86 MET HBy 1.0 1.8 5.0 1449 860 A 83 PHE HA A 86 MET HBx 1.0 1.8 5.0 1450 860 A 86 MET HBy A 83 PHE HA 1.0 1.8 5.0 1451 861 A 83 PHE HA A 86 MET HBx 1.0 1.8 5.0 1452 861 A 86 MET HBy A 83 PHE HA 1.0 1.8 5.0 1453 862 A 88 TYR H A 86 MET HA 1.0 1.8 5.0 1454 863 A 84 ALA H A 83 PHE HBx 1.0 1.8 5.0 1455 863 A 84 ALA H A 83 PHE HBy 1.0 1.8 5.0 1456 864 A 84 ALA H A 83 PHE HBx 1.0 1.8 5.0 1457 864 A 84 ALA H A 83 PHE HBy 1.0 1.8 5.0 1458 865 A 80 TYR HA A 83 PHE HBx 1.0 1.8 5.0 1459 865 A 83 PHE HBy A 80 TYR HA 1.0 1.8 5.0 1460 866 A 80 TYR HA A 83 PHE HBx 1.0 1.8 5.0 1461 866 A 83 PHE HBy A 80 TYR HA 1.0 1.8 5.0 1462 867 A 82 ALA HB% A 83 PHE HBx 1.0 1.8 6.0 1463 867 A 83 PHE HBy A 82 ALA HB% 1.0 1.8 6.0 1464 868 A 82 ALA HB% A 83 PHE HBx 1.0 1.8 6.0 1465 868 A 83 PHE HBy A 82 ALA HB% 1.0 1.8 6.0 1466 869 A 84 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 1467 869 A 83 PHE HBy A 84 ALA HB% 1.0 1.8 5.0 1468 870 A 82 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 1469 870 A 83 PHE HBy A 82 ALA HB% 1.0 1.8 5.0 1470 871 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 5.0 1471 871 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 5.0 1472 872 A 80 TYR H A 78 ILE HA 1.0 1.8 6.0 1473 873 A 60 GLU H A 63 ILE HD1% 1.0 1.8 6.0 1474 874 A 23 ASP HA A 26 THR H 1.0 1.8 5.0 1475 875 A 25 LYS H A 23 ASP HA 1.0 1.8 5.0 1476 876 A 25 LYS H A 23 ASP HBx 1.0 1.8 6.0 1477 876 A 25 LYS H A 23 ASP HBy 1.0 1.8 6.0 1478 877 A 50 GLY H A 47 GLU HA 1.0 1.8 5.0 1479 878 A 48 PHE H A 47 GLU HA 1.0 1.8 5.0 1480 879 A 51 ILE H A 47 GLU HA 1.0 1.8 6.0 1481 880 A 28 LEU H A 27 GLN HGx 1.0 1.8 6.0 1482 880 A 28 LEU H A 27 GLN HGy 1.0 1.8 6.0 1483 881 A 28 LEU H A 27 GLN HGx 1.0 1.8 6.0 1484 881 A 28 LEU H A 27 GLN HGy 1.0 1.8 6.0 1485 882 A 50 GLY HAy A 53 ARG HDx 1.0 1.8 5.0 1486 882 A 50 GLY HAx A 53 ARG HDx 1.0 1.8 5.0 1487 882 A 53 ARG HDy A 50 GLY HAx 1.0 1.8 5.0 1488 882 A 50 GLY HAy A 53 ARG HDy 1.0 1.8 5.0 1489 883 A 51 ILE HD1% A 47 GLU HBx 1.0 1.8 6.0 1490 883 A 51 ILE HD1% A 47 GLU HBy 1.0 1.8 6.0 1491 884 A 51 ILE HD1% A 47 GLU HBx 1.0 1.8 6.0 1492 884 A 51 ILE HD1% A 47 GLU HBy 1.0 1.8 6.0 1493 885 A 47 GLU HBy A 43 VAL HGy% 1.0 1.8 5.0 1494 885 A 43 VAL HGy% A 47 GLU HBx 1.0 1.8 5.0 1495 886 A 47 GLU HBy A 43 VAL HGy% 1.0 1.8 3.0 1496 886 A 43 VAL HGy% A 47 GLU HBx 1.0 1.8 3.0 1497 887 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 1498 887 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 1499 887 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 1500 887 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 1501 888 A 48 PHE H A 47 GLU HBx 1.0 1.8 5.0 1502 888 A 48 PHE H A 47 GLU HBy 1.0 1.8 5.0 1503 889 A 44 SER H A 47 GLU HBx 1.0 1.8 6.0 1504 889 A 44 SER H A 47 GLU HBy 1.0 1.8 6.0 1505 890 A 44 SER H A 47 GLU HBx 1.0 1.8 6.0 1506 890 A 44 SER H A 47 GLU HBy 1.0 1.8 6.0 1507 891 A 92 GLU HA A 93 SER H 1.0 1.8 5.0 1508 892 A 93 SER H A 92 GLU HBx 1.0 1.8 3.0 1509 892 A 93 SER H A 92 GLU HBy 1.0 1.8 3.0 1510 893 A 58 MET H A 57 PRO HBx 1.0 1.8 6.0 1511 893 A 58 MET H A 57 PRO HBy 1.0 1.8 6.0 1512 894 A 58 MET H A 57 PRO HBx 1.0 1.8 6.0 1513 894 A 58 MET H A 57 PRO HBy 1.0 1.8 6.0 1514 895 A 25 LYS H A 28 LEU HBx 1.0 1.8 6.0 1515 895 A 25 LYS H A 28 LEU HBy 1.0 1.8 6.0 1516 896 A 25 LYS H A 28 LEU HBx 1.0 1.8 6.0 1517 896 A 25 LYS H A 28 LEU HBy 1.0 1.8 6.0 1518 897 A 47 GLU H A 44 SER HBx 1.0 1.8 5.0 1519 897 A 44 SER HBy A 47 GLU H 1.0 1.8 5.0 1520 898 A 47 GLU H A 44 SER HBx 1.0 1.8 5.0 1521 898 A 44 SER HBy A 47 GLU H 1.0 1.8 5.0 1522 899 A 52 ILE HD1% A 58 MET HBx 1.0 1.8 6.0 1523 899 A 58 MET HBy A 52 ILE HD1% 1.0 1.8 6.0 1524 900 A 31 ALA HB% A 28 LEU HDx% 1.0 1.8 3.0 1525 900 A 31 ALA HB% A 28 LEU HDy% 1.0 1.8 3.0 1526 901 A 81 LYS H A 41 GLY HAx 1.0 1.8 6.0 1527 901 A 81 LYS H A 41 GLY HAy 1.0 1.8 6.0 1528 902 A 81 LYS H A 41 GLY HAx 1.0 1.8 6.0 1529 902 A 81 LYS H A 41 GLY HAy 1.0 1.8 6.0 1530 903 A 67 PHE HBy A 64 THR HG2% 1.0 1.8 6.0 1531 903 A 64 THR HG2% A 67 PHE HBx 1.0 1.8 6.0 1532 904 A 67 PHE HBy A 64 THR HG2% 1.0 1.8 6.0 1533 904 A 64 THR HG2% A 67 PHE HBx 1.0 1.8 6.0 1534 905 A 32 PHE HA A 35 PHE HBx 1.0 1.8 5.0 1535 905 A 35 PHE HBy A 32 PHE HA 1.0 1.8 5.0 1536 906 A 51 ILE HD1% A 35 PHE HBx 1.0 1.8 5.0 1537 906 A 35 PHE HBy A 51 ILE HD1% 1.0 1.8 5.0 1538 907 A 33 TYR HE% A 29 ILE HB 1.0 1.8 6.0 1539 908 A 87 LEU HDy% A 29 ILE HG2% 1.0 1.8 5.0 1540 908 A 87 LEU HDy% A 29 ILE HG12 1.0 1.8 5.0 1541 908 A 29 ILE HG12 A 87 LEU HDx% 1.0 1.8 5.0 1542 908 A 29 ILE HG13 A 87 LEU HDx% 1.0 1.8 5.0 1543 908 A 87 LEU HDy% A 29 ILE HG13 1.0 1.8 5.0 1544 908 A 29 ILE HG2% A 87 LEU HDx% 1.0 1.8 5.0 1545 909 A 87 LEU HDy% A 29 ILE HG12 1.0 1.8 5.0 1546 909 A 29 ILE HG12 A 87 LEU HDx% 1.0 1.8 5.0 1547 910 A 67 PHE HE% A 49 ARG HDx 1.0 1.8 6.0 1548 910 A 49 ARG HDy A 67 PHE HE% 1.0 1.8 6.0 1549 911 A 26 THR HB A 23 ASP HBx 1.0 1.8 5.0 1550 911 A 23 ASP HBy A 26 THR HB 1.0 1.8 5.0 1551 912 A 33 TYR HE% A 29 ILE HB 1.0 1.8 6.0 1552 913 A 23 ASP HA A 26 THR H 1.0 1.8 5.0 1553 914 A 26 THR H A 23 ASP HBx 1.0 1.8 5.0 1554 914 A 23 ASP HBy A 26 THR H 1.0 1.8 5.0 1555 915 A 24 GLU H A 22 SER HBx 1.0 1.8 5.0 1556 915 A 24 GLU H A 22 SER HBy 1.0 1.8 5.0 1557 916 A 22 SER HA A 24 GLU H 1.0 1.8 5.0 1558 917 A 35 PHE H A 32 PHE HA 1.0 1.8 5.0 1559 918 A 31 ALA H A 29 ILE HD1% 1.0 1.8 5.0 1560 919 A 31 ALA H A 29 ILE HG2% 1.0 1.8 5.0 1561 920 A 31 ALA H A 29 ILE HA 1.0 1.8 5.0 1562 921 A 32 PHE H A 29 ILE HG2% 1.0 1.8 5.0 1563 922 A 32 PHE H A 29 ILE HD1% 1.0 1.8 5.0 1564 923 A 34 ASN H A 31 ALA HA 1.0 1.8 5.0 1565 924 A 22 SER HA A 25 LYS H 1.0 1.8 6.0 1566 925 A 30 GLU H A 32 PHE H 1.0 1.8 5.0 1567 926 A 22 SER HA A 26 THR H 1.0 1.8 6.0 1568 927 A 24 GLU H A 22 SER HBx 1.0 1.8 6.0 1569 927 A 24 GLU H A 22 SER HBy 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 2 1 A 75 THR HG1 A 73 ASN HBx 1.0 1.8 3.0 3 1 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 4 1 A 75 THR HG1 A 73 ASN HBy 1.0 1.8 3.0 5 2 A 84 ALA HB% A 81 LYS HA 1.0 1.8 3.0 6 3 A 63 ILE HA A 58 MET HE% 1.0 1.8 3.0 7 4 A 49 ARG HA A 52 ILE HB 1.0 1.8 5.0 8 5 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 9 5 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 10 6 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 11 6 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 12 7 A 77 PHE HD% A 75 THR HB 1.0 1.8 5.0 13 8 A 84 ALA HB% A 80 TYR HD% 1.0 1.8 5.0 14 9 A 84 ALA HB% A 88 TYR HD% 1.0 1.8 5.0 15 10 A 75 THR HG2% A 73 ASN HBx 1.0 1.8 3.0 16 10 A 75 THR HG1 A 73 ASN HBx 1.0 1.8 3.0 17 10 A 73 ASN HBy A 75 THR HG2% 1.0 1.8 3.0 18 10 A 75 THR HG1 A 73 ASN HBy 1.0 1.8 3.0 19 11 A 45 VAL HB A 76 GLY HAx 1.0 1.8 5.0 20 11 A 76 GLY HAy A 45 VAL HB 1.0 1.8 5.0 21 12 A 45 VAL HB A 76 GLY HAx 1.0 1.8 6.0 22 12 A 76 GLY HAy A 45 VAL HB 1.0 1.8 6.0 23 13 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 24 13 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 25 14 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 5.0 26 14 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 5.0 27 15 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 28 15 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 29 16 A 77 PHE HA A 45 VAL HGy% 1.0 1.8 5.0 30 17 A 77 PHE HA A 44 SER HA 1.0 1.8 5.0 31 18 A 78 ILE HD1% A 83 PHE HBx 1.0 1.8 5.0 32 18 A 83 PHE HBy A 78 ILE HD1% 1.0 1.8 5.0 33 19 A 78 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 34 19 A 78 ILE HD1% A 48 PHE HBy 1.0 1.8 5.0 35 20 A 78 ILE HD1% A 67 PHE HA 1.0 1.8 5.0 36 21 A 78 ILE HD1% A 83 PHE HD% 1.0 1.8 5.0 37 22 A 78 ILE HD1% A 67 PHE HE% 1.0 1.8 3.0 38 23 A 78 ILE HD1% A 67 PHE HD% 1.0 1.8 5.0 39 24 A 71 ASP HBy A 78 ILE HG13 1.0 1.8 5.0 40 24 A 78 ILE HG12 A 71 ASP HBx 1.0 1.8 5.0 41 24 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 42 24 A 78 ILE HG12 A 71 ASP HBy 1.0 1.8 5.0 43 24 A 71 ASP HBx A 78 ILE HG13 1.0 1.8 5.0 44 24 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 45 25 A 71 ASP HBy A 78 ILE HG13 1.0 1.8 5.0 46 25 A 78 ILE HG12 A 71 ASP HBx 1.0 1.8 5.0 47 25 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 48 25 A 78 ILE HG12 A 71 ASP HBy 1.0 1.8 5.0 49 25 A 71 ASP HBx A 78 ILE HG13 1.0 1.8 5.0 50 25 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 51 26 A 78 ILE HG13 A 83 PHE HBx 1.0 1.8 5.0 52 26 A 83 PHE HBy A 78 ILE HG2% 1.0 1.8 5.0 53 26 A 83 PHE HBy A 78 ILE HG12 1.0 1.8 5.0 54 26 A 78 ILE HG12 A 83 PHE HBx 1.0 1.8 5.0 55 26 A 83 PHE HBy A 78 ILE HG13 1.0 1.8 5.0 56 26 A 78 ILE HG2% A 83 PHE HBx 1.0 1.8 5.0 57 27 A 67 PHE HA A 78 ILE HG13 1.0 1.8 5.0 58 27 A 67 PHE HA A 78 ILE HG2% 1.0 1.8 5.0 59 27 A 78 ILE HG12 A 67 PHE HA 1.0 1.8 5.0 60 28 A 83 PHE HE% A 78 ILE HG13 1.0 1.8 5.0 61 28 A 83 PHE HE% A 78 ILE HG2% 1.0 1.8 5.0 62 28 A 83 PHE HE% A 78 ILE HG12 1.0 1.8 5.0 63 29 A 48 PHE HD% A 78 ILE HG13 1.0 1.8 5.0 64 29 A 48 PHE HD% A 78 ILE HG2% 1.0 1.8 5.0 65 29 A 48 PHE HD% A 78 ILE HG12 1.0 1.8 5.0 66 30 A 83 PHE HD% A 78 ILE HG13 1.0 1.8 5.0 67 30 A 83 PHE HD% A 78 ILE HG2% 1.0 1.8 5.0 68 30 A 83 PHE HD% A 78 ILE HG12 1.0 1.8 5.0 69 31 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 70 31 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 71 32 A 78 ILE HG2% A 71 ASP HBx 1.0 1.8 5.0 72 32 A 71 ASP HBy A 78 ILE HG2% 1.0 1.8 5.0 73 33 A 78 ILE HD1% A 71 ASP HBx 1.0 1.8 5.0 74 33 A 78 ILE HD1% A 71 ASP HBy 1.0 1.8 5.0 75 34 A 78 ILE HD1% A 71 ASP HBx 1.0 1.8 5.0 76 34 A 78 ILE HD1% A 71 ASP HBy 1.0 1.8 5.0 77 35 A 79 ASP HA A 42 PHE HA 1.0 1.8 5.0 78 36 A 80 TYR HBy A 43 VAL HGx% 1.0 1.8 5.0 79 36 A 43 VAL HGx% A 80 TYR HBx 1.0 1.8 5.0 80 37 A 84 ALA HB% A 81 LYS HBx 1.0 1.8 5.0 81 37 A 81 LYS HBy A 84 ALA HB% 1.0 1.8 5.0 82 38 A 78 ILE HD1% A 80 TYR HA 1.0 1.8 5.0 83 39 A 80 TYR HA A 78 ILE HG2% 1.0 1.8 5.0 84 40 A 80 TYR HA A 43 VAL HGx% 1.0 1.8 5.0 85 41 A 80 TYR HA A 83 PHE HD% 1.0 1.8 5.0 86 42 A 43 VAL HGx% A 80 TYR HBx 1.0 1.8 5.0 87 42 A 43 VAL HGy% A 80 TYR HBx 1.0 1.8 5.0 88 42 A 80 TYR HBy A 43 VAL HGx% 1.0 1.8 5.0 89 42 A 80 TYR HBy A 43 VAL HGy% 1.0 1.8 5.0 90 43 A 80 TYR HD% A 43 VAL HGx% 1.0 1.8 5.0 91 43 A 80 TYR HD% A 43 VAL HGy% 1.0 1.8 5.0 92 44 A 84 ALA HB% A 81 LYS HA 1.0 1.8 3.0 93 45 A 82 ALA HB% A 78 ILE HG2% 1.0 1.8 5.0 94 46 A 82 ALA HB% A 70 ALA HB% 1.0 1.8 5.0 95 47 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 5.0 96 47 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 5.0 97 48 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 3.0 98 48 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 3.0 99 49 A 82 ALA HB% A 83 PHE HE% 1.0 1.8 5.0 100 50 A 83 PHE HBy A 78 ILE HG2% 1.0 1.8 5.0 101 50 A 78 ILE HG2% A 83 PHE HBx 1.0 1.8 5.0 102 51 A 83 PHE HBy A 78 ILE HG2% 1.0 1.8 5.0 103 51 A 78 ILE HG2% A 83 PHE HBx 1.0 1.8 5.0 104 52 A 70 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 105 52 A 83 PHE HBy A 70 ALA HB% 1.0 1.8 5.0 106 53 A 70 ALA HB% A 83 PHE HBx 1.0 1.8 5.0 107 53 A 83 PHE HBy A 70 ALA HB% 1.0 1.8 5.0 108 54 A 83 PHE HBy A 78 ILE HG12 1.0 1.8 6.0 109 54 A 78 ILE HG12 A 83 PHE HBx 1.0 1.8 6.0 110 55 A 83 PHE HBy A 78 ILE HG12 1.0 1.8 5.0 111 55 A 78 ILE HG12 A 83 PHE HBx 1.0 1.8 5.0 112 56 A 67 PHE HD% A 78 ILE HG13 1.0 1.8 6.0 113 56 A 67 PHE HD% A 78 ILE HG2% 1.0 1.8 6.0 114 56 A 67 PHE HD% A 78 ILE HG12 1.0 1.8 6.0 115 57 A 82 ALA HB% A 83 PHE HD% 1.0 1.8 6.0 116 58 A 83 PHE HA A 86 MET HGx 1.0 1.8 5.0 117 58 A 83 PHE HA A 86 MET HGy 1.0 1.8 5.0 118 59 A 83 PHE HA A 86 MET HBx 1.0 1.8 5.0 119 59 A 86 MET HBy A 83 PHE HA 1.0 1.8 5.0 120 60 A 83 PHE HA A 86 MET HE% 1.0 1.8 5.0 121 61 A 82 ALA HB% A 83 PHE HA 1.0 1.8 5.0 122 62 A 80 TYR HA A 83 PHE HBx 1.0 1.8 5.0 123 62 A 83 PHE HBy A 80 TYR HA 1.0 1.8 5.0 124 63 A 80 TYR HA A 83 PHE HBx 1.0 1.8 5.0 125 63 A 83 PHE HBy A 80 TYR HA 1.0 1.8 5.0 126 64 A 78 ILE HD1% A 83 PHE HBx 1.0 1.8 5.0 127 64 A 83 PHE HBy A 78 ILE HD1% 1.0 1.8 5.0 128 65 A 78 ILE HD1% A 83 PHE HBx 1.0 1.8 5.0 129 65 A 83 PHE HBy A 78 ILE HD1% 1.0 1.8 5.0 130 66 A 70 ALA HB% A 83 PHE HD% 1.0 1.8 5.0 131 67 A 78 ILE HD1% A 70 ALA HB% 1.0 1.8 3.0 132 68 A 70 ALA HB% A 78 ILE HG2% 1.0 1.8 3.0 133 69 A 84 ALA HA A 88 TYR HE% 1.0 1.8 5.0 134 70 A 84 ALA HA A 88 TYR HD% 1.0 1.8 5.0 135 71 A 84 ALA HA A 87 LEU HDx% 1.0 1.8 3.0 136 71 A 84 ALA HA A 87 LEU HDy% 1.0 1.8 3.0 137 72 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 138 72 A 87 LEU HBy A 84 ALA HA 1.0 1.8 5.0 139 73 A 84 ALA HA A 87 LEU HDx% 1.0 1.8 5.0 140 73 A 84 ALA HA A 87 LEU HDy% 1.0 1.8 5.0 141 74 A 83 PHE HD% A 87 LEU HDx% 1.0 1.8 5.0 142 74 A 83 PHE HD% A 87 LEU HDy% 1.0 1.8 5.0 143 75 A 85 ALA HA A 88 TYR HD% 1.0 1.8 5.0 144 76 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 145 76 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 146 77 A 85 ALA HA A 88 TYR HBx 1.0 1.8 6.0 147 77 A 85 ALA HA A 88 TYR HBy 1.0 1.8 6.0 148 78 A 83 PHE HA A 86 MET HBx 1.0 1.8 6.0 149 78 A 86 MET HBy A 83 PHE HA 1.0 1.8 6.0 150 79 A 83 PHE HA A 86 MET HBx 1.0 1.8 5.0 151 79 A 86 MET HBy A 83 PHE HA 1.0 1.8 5.0 152 80 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 153 80 A 87 LEU HBy A 84 ALA HA 1.0 1.8 5.0 154 81 A 84 ALA HA A 87 LEU HBx 1.0 1.8 5.0 155 81 A 87 LEU HBy A 84 ALA HA 1.0 1.8 5.0 156 82 A 83 PHE HD% A 87 LEU HDx% 1.0 1.8 5.0 157 82 A 83 PHE HD% A 87 LEU HDy% 1.0 1.8 5.0 158 83 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 6.0 159 83 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 6.0 160 84 A 70 ALA HB% A 71 ASP HBx 1.0 1.8 5.0 161 84 A 70 ALA HB% A 71 ASP HBy 1.0 1.8 5.0 162 85 A 71 ASP HA A 72 PRO HGx 1.0 1.8 5.0 163 85 A 72 PRO HGy A 71 ASP HA 1.0 1.8 5.0 164 86 A 71 ASP HA A 72 PRO HGx 1.0 1.8 5.0 165 86 A 72 PRO HGy A 71 ASP HA 1.0 1.8 5.0 166 87 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 167 87 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 168 88 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 169 88 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 170 89 A 67 PHE HD% A 45 VAL HGx% 1.0 1.8 5.0 171 89 A 67 PHE HD% A 45 VAL HGy% 1.0 1.8 5.0 172 90 A 45 VAL HA A 48 PHE HBx 1.0 1.8 5.0 173 90 A 45 VAL HA A 48 PHE HBy 1.0 1.8 5.0 174 91 A 45 VAL HA A 48 PHE HBx 1.0 1.8 3.0 175 91 A 45 VAL HA A 48 PHE HBy 1.0 1.8 3.0 176 92 A 48 PHE HBy A 43 VAL HGy% 1.0 1.8 3.0 177 92 A 43 VAL HGy% A 48 PHE HBx 1.0 1.8 3.0 178 93 A 48 PHE HBy A 43 VAL HGy% 1.0 1.8 3.0 179 93 A 43 VAL HGy% A 48 PHE HBx 1.0 1.8 3.0 180 94 A 48 PHE HD% A 43 VAL HGx% 1.0 1.8 3.0 181 94 A 48 PHE HD% A 43 VAL HGy% 1.0 1.8 3.0 182 95 A 48 PHE HD% A 43 VAL HGx% 1.0 1.8 3.0 183 95 A 48 PHE HD% A 43 VAL HGy% 1.0 1.8 3.0 184 96 A 61 ALA HB% A 60 GLU HBx 1.0 1.8 5.0 185 96 A 60 GLU HBy A 61 ALA HB% 1.0 1.8 5.0 186 97 A 61 ALA HB% A 60 GLU HGx 1.0 1.8 3.0 187 97 A 61 ALA HB% A 60 GLU HGy 1.0 1.8 3.0 188 98 A 64 THR HB A 61 ALA HB% 1.0 1.8 5.0 189 99 A 61 ALA HA A 64 THR HG2% 1.0 1.8 5.0 190 100 A 23 ASP HA A 26 THR HA 1.0 1.8 5.0 191 101 A 26 THR HA A 23 ASP HBx 1.0 1.8 6.0 192 101 A 23 ASP HBy A 26 THR HA 1.0 1.8 6.0 193 102 A 50 GLY HAx A 53 ARG HBx 1.0 1.8 3.0 194 102 A 53 ARG HBy A 50 GLY HAx 1.0 1.8 3.0 195 102 A 53 ARG HBy A 50 GLY HAy 1.0 1.8 3.0 196 102 A 50 GLY HAy A 53 ARG HBx 1.0 1.8 3.0 197 103 A 50 GLY HAx A 53 ARG HBx 1.0 1.8 5.0 198 103 A 53 ARG HBy A 50 GLY HAx 1.0 1.8 5.0 199 103 A 53 ARG HBy A 50 GLY HAy 1.0 1.8 5.0 200 103 A 50 GLY HAy A 53 ARG HBx 1.0 1.8 5.0 201 104 A 67 PHE HE% A 49 ARG HBx 1.0 1.8 6.0 202 104 A 49 ARG HBy A 67 PHE HE% 1.0 1.8 6.0 203 105 A 67 PHE HE% A 48 PHE HBx 1.0 1.8 6.0 204 105 A 48 PHE HBy A 67 PHE HE% 1.0 1.8 6.0 205 106 A 48 PHE HD% A 51 ILE HB 1.0 1.8 5.0 206 107 A 48 PHE HA A 51 ILE HB 1.0 1.8 3.0 207 108 A 48 PHE HA A 51 ILE HD1% 1.0 1.8 3.0 208 109 A 48 PHE HD% A 51 ILE HD1% 1.0 1.8 3.0 209 110 A 48 PHE HD% A 52 ILE HD1% 1.0 1.8 3.0 210 111 A 52 ILE HD1% A 49 ARG HA 1.0 1.8 5.0 211 112 A 48 PHE HA A 51 ILE HG2% 1.0 1.8 5.0 212 112 A 48 PHE HA A 51 ILE HG12 1.0 1.8 5.0 213 112 A 48 PHE HA A 51 ILE HG13 1.0 1.8 5.0 214 113 A 31 ALA HB% A 51 ILE HG13 1.0 1.8 5.0 215 113 A 31 ALA HB% A 51 ILE HG2% 1.0 1.8 5.0 216 113 A 31 ALA HB% A 51 ILE HG12 1.0 1.8 5.0 217 114 A 48 PHE HD% A 52 ILE HG13 1.0 1.8 5.0 218 114 A 48 PHE HD% A 52 ILE HG2% 1.0 1.8 5.0 219 114 A 48 PHE HD% A 52 ILE HG12 1.0 1.8 5.0 220 115 A 52 ILE HG2% A 56 LEU HBx 1.0 1.8 3.0 221 115 A 52 ILE HG12 A 56 LEU HBx 1.0 1.8 3.0 222 115 A 52 ILE HG13 A 56 LEU HBx 1.0 1.8 3.0 223 115 A 56 LEU HBy A 52 ILE HG12 1.0 1.8 3.0 224 115 A 56 LEU HBy A 52 ILE HG2% 1.0 1.8 3.0 225 115 A 56 LEU HBy A 52 ILE HG13 1.0 1.8 3.0 226 116 A 50 GLY HAy A 53 ARG HDx 1.0 1.8 5.0 227 116 A 50 GLY HAx A 53 ARG HDx 1.0 1.8 5.0 228 116 A 53 ARG HDy A 50 GLY HAx 1.0 1.8 5.0 229 116 A 50 GLY HAy A 53 ARG HDy 1.0 1.8 5.0 230 117 A 50 GLY HAy A 53 ARG HDx 1.0 1.8 5.0 231 117 A 50 GLY HAx A 53 ARG HDx 1.0 1.8 5.0 232 117 A 53 ARG HDy A 50 GLY HAx 1.0 1.8 5.0 233 117 A 50 GLY HAy A 53 ARG HDy 1.0 1.8 5.0 234 118 A 83 PHE HA A 86 MET HE% 1.0 1.8 5.0 235 119 A 66 PHE HD% A 58 MET HE% 1.0 1.8 5.0 236 120 A 58 MET HE% A 66 PHE HBx 1.0 1.8 3.0 237 120 A 66 PHE HBy A 58 MET HE% 1.0 1.8 3.0 238 121 A 86 MET HE% A 83 PHE HD% 1.0 1.8 5.0 239 122 A 63 ILE HD1% A 58 MET HBx 1.0 1.8 5.0 240 122 A 58 MET HBy A 63 ILE HD1% 1.0 1.8 5.0 241 123 A 58 MET HBy A 63 ILE HG13 1.0 1.8 5.0 242 123 A 58 MET HBx A 63 ILE HG13 1.0 1.8 5.0 243 124 A 59 THR HB A 62 GLU HGx 1.0 1.8 5.0 244 124 A 62 GLU HGy A 59 THR HB 1.0 1.8 5.0 245 125 A 59 THR HB A 60 GLU HBx 1.0 1.8 5.0 246 125 A 59 THR HB A 60 GLU HBy 1.0 1.8 5.0 247 126 A 59 THR HG1 A 62 GLU HGx 1.0 1.8 3.0 248 126 A 59 THR HG2% A 62 GLU HGx 1.0 1.8 3.0 249 126 A 62 GLU HGy A 59 THR HG2% 1.0 1.8 3.0 250 126 A 62 GLU HGy A 59 THR HG1 1.0 1.8 3.0 251 127 A 59 THR HA A 60 GLU HBx 1.0 1.8 5.0 252 127 A 60 GLU HBy A 59 THR HA 1.0 1.8 5.0 253 128 A 59 THR HA A 60 GLU HGx 1.0 1.8 5.0 254 128 A 59 THR HA A 60 GLU HGy 1.0 1.8 5.0 255 129 A 77 PHE HE% A 44 SER HBx 1.0 1.8 5.0 256 129 A 44 SER HBy A 77 PHE HE% 1.0 1.8 5.0 257 130 A 77 PHE HE% A 44 SER HBx 1.0 1.8 5.0 258 130 A 44 SER HBy A 77 PHE HE% 1.0 1.8 5.0 259 131 A 77 PHE HA A 44 SER HA 1.0 1.8 3.0 260 132 A 77 PHE HD% A 44 SER HA 1.0 1.8 5.0 261 133 A 45 VAL HA A 48 PHE HD% 1.0 1.8 5.0 262 134 A 48 PHE HD% A 45 VAL HB 1.0 1.8 6.0 263 135 A 78 ILE HD1% A 45 VAL HA 1.0 1.8 6.0 264 136 A 67 PHE HE% A 45 VAL HGx% 1.0 1.8 6.0 265 136 A 67 PHE HE% A 45 VAL HGy% 1.0 1.8 6.0 266 137 A 67 PHE HA A 45 VAL HGx% 1.0 1.8 5.0 267 137 A 45 VAL HGy% A 67 PHE HA 1.0 1.8 5.0 268 138 A 67 PHE HE% A 45 VAL HGx% 1.0 1.8 5.0 269 138 A 67 PHE HE% A 45 VAL HGy% 1.0 1.8 5.0 270 139 A 67 PHE HD% A 45 VAL HGx% 1.0 1.8 5.0 271 139 A 67 PHE HD% A 45 VAL HGy% 1.0 1.8 5.0 272 140 A 67 PHE HA A 45 VAL HGx% 1.0 1.8 5.0 273 140 A 45 VAL HGy% A 67 PHE HA 1.0 1.8 5.0 274 141 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 6.0 275 141 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 6.0 276 141 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 6.0 277 141 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 6.0 278 142 A 45 VAL HGx% A 76 GLY HAx 1.0 1.8 5.0 279 142 A 45 VAL HGy% A 76 GLY HAx 1.0 1.8 5.0 280 142 A 76 GLY HAy A 45 VAL HGx% 1.0 1.8 5.0 281 142 A 76 GLY HAy A 45 VAL HGy% 1.0 1.8 5.0 282 143 A 46 GLU HA A 49 ARG HDx 1.0 1.8 5.0 283 143 A 49 ARG HDy A 46 GLU HA 1.0 1.8 5.0 284 144 A 46 GLU HA A 49 ARG HDx 1.0 1.8 6.0 285 144 A 49 ARG HDy A 46 GLU HA 1.0 1.8 6.0 286 145 A 63 ILE HA A 66 PHE HBx 1.0 1.8 3.0 287 145 A 66 PHE HBy A 63 ILE HA 1.0 1.8 3.0 288 146 A 63 ILE HA A 67 PHE HBx 1.0 1.8 5.0 289 146 A 67 PHE HBy A 63 ILE HA 1.0 1.8 5.0 290 147 A 63 ILE HA A 66 PHE HD% 1.0 1.8 6.0 291 148 A 67 PHE HD% A 63 ILE HG13 1.0 1.8 3.0 292 148 A 67 PHE HD% A 63 ILE HG2% 1.0 1.8 3.0 293 148 A 67 PHE HD% A 63 ILE HG12 1.0 1.8 3.0 294 149 A 67 PHE HE% A 63 ILE HG13 1.0 1.8 3.0 295 149 A 67 PHE HE% A 63 ILE HG2% 1.0 1.8 3.0 296 149 A 67 PHE HE% A 63 ILE HG12 1.0 1.8 3.0 297 150 A 25 LYS HA A 87 LEU HDx% 1.0 1.8 6.0 298 150 A 87 LEU HDy% A 25 LYS HA 1.0 1.8 6.0 299 151 A 25 LYS HBy A 28 LEU HDx% 1.0 1.8 6.0 300 151 A 25 LYS HBx A 28 LEU HDx% 1.0 1.8 6.0 301 151 A 28 LEU HDy% A 25 LYS HBx 1.0 1.8 6.0 302 151 A 25 LYS HBy A 28 LEU HDy% 1.0 1.8 6.0 303 152 A 25 LYS HBy A 87 LEU HDx% 1.0 1.8 6.0 304 152 A 25 LYS HBx A 87 LEU HDx% 1.0 1.8 6.0 305 152 A 87 LEU HDy% A 25 LYS HBx 1.0 1.8 6.0 306 152 A 25 LYS HBy A 87 LEU HDy% 1.0 1.8 6.0 307 153 A 25 LYS HBy A 87 LEU HDx% 1.0 1.8 5.0 308 153 A 25 LYS HBx A 87 LEU HDx% 1.0 1.8 5.0 309 153 A 87 LEU HDy% A 25 LYS HBx 1.0 1.8 5.0 310 153 A 25 LYS HBy A 87 LEU HDy% 1.0 1.8 5.0 311 154 A 70 ALA HA A 71 ASP HBx 1.0 1.8 6.0 312 154 A 71 ASP HBy A 70 ALA HA 1.0 1.8 6.0 313 155 A 71 ASP HBy A 72 PRO HDx 1.0 1.8 6.0 314 155 A 71 ASP HBx A 72 PRO HDx 1.0 1.8 6.0 315 155 A 72 PRO HDy A 71 ASP HBx 1.0 1.8 6.0 316 155 A 72 PRO HDy A 71 ASP HBy 1.0 1.8 6.0 317 156 A 71 ASP HBy A 72 PRO HDx 1.0 1.8 6.0 318 156 A 71 ASP HBx A 72 PRO HDx 1.0 1.8 6.0 319 156 A 72 PRO HDy A 71 ASP HBx 1.0 1.8 6.0 320 156 A 72 PRO HDy A 71 ASP HBy 1.0 1.8 6.0 321 157 A 67 PHE HE% A 78 ILE HG13 1.0 1.8 6.0 322 157 A 67 PHE HE% A 78 ILE HG2% 1.0 1.8 6.0 323 157 A 67 PHE HE% A 78 ILE HG12 1.0 1.8 6.0 324 158 A 67 PHE HE% A 78 ILE HG12 1.0 1.8 5.0 325 159 A 31 ALA HB% A 51 ILE HG2% 1.0 1.8 5.0 326 160 A 60 GLU HA A 63 ILE HB 1.0 1.8 3.0 327 161 A 26 THR HA A 29 ILE HB 1.0 1.8 3.0 328 162 A 77 PHE HD% A 44 SER HBx 1.0 1.8 6.0 329 162 A 44 SER HBy A 77 PHE HD% 1.0 1.8 6.0 330 163 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 331 163 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 332 163 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 333 163 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 334 164 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 335 164 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 336 164 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 337 164 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 338 165 A 44 SER HBy A 47 GLU HBx 1.0 1.8 6.0 339 165 A 47 GLU HBy A 44 SER HBx 1.0 1.8 6.0 340 165 A 44 SER HBy A 47 GLU HBy 1.0 1.8 6.0 341 165 A 44 SER HBx A 47 GLU HBx 1.0 1.8 6.0 342 166 A 44 SER HBy A 47 GLU HBx 1.0 1.8 5.0 343 166 A 47 GLU HBy A 44 SER HBx 1.0 1.8 5.0 344 166 A 44 SER HBy A 47 GLU HBy 1.0 1.8 5.0 345 166 A 44 SER HBx A 47 GLU HBx 1.0 1.8 5.0 346 167 A 80 TYR HD% A 81 LYS HA 1.0 1.8 5.0 347 168 A 81 LYS HA A 80 TYR HE% 1.0 1.8 6.0 348 169 A 45 VAL HA A 48 PHE HBx 1.0 1.8 5.0 349 169 A 45 VAL HA A 48 PHE HBy 1.0 1.8 5.0 350 170 A 46 GLU HA A 45 VAL HGx% 1.0 1.8 5.0 351 171 A 44 SER HA A 47 GLU HBx 1.0 1.8 6.0 352 171 A 44 SER HA A 47 GLU HBy 1.0 1.8 6.0 353 172 A 47 GLU HBy A 43 VAL HGy% 1.0 1.8 3.0 354 172 A 43 VAL HGy% A 47 GLU HBx 1.0 1.8 3.0 355 173 A 47 GLU HBy A 43 VAL HGy% 1.0 1.8 5.0 356 173 A 43 VAL HGy% A 47 GLU HBx 1.0 1.8 5.0 357 174 A 52 ILE HD1% A 63 ILE HG12 1.0 1.8 6.0 358 175 A 79 ASP HA A 42 PHE HD% 1.0 1.8 5.0 359 176 A 79 ASP HA A 42 PHE HBx 1.0 1.8 5.0 360 176 A 79 ASP HA A 42 PHE HBy 1.0 1.8 5.0 361 177 A 77 PHE HA A 45 VAL HGx% 1.0 1.8 6.0 362 178 A 52 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 363 178 A 48 PHE HBy A 52 ILE HD1% 1.0 1.8 5.0 364 179 A 78 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 365 179 A 78 ILE HD1% A 48 PHE HBy 1.0 1.8 5.0 366 180 A 78 ILE HD1% A 48 PHE HBx 1.0 1.8 5.0 367 180 A 78 ILE HD1% A 48 PHE HBy 1.0 1.8 5.0 368 181 A 51 ILE HD1% A 48 PHE HBx 1.0 1.8 6.0 369 181 A 48 PHE HBy A 51 ILE HD1% 1.0 1.8 6.0 370 182 A 51 ILE HD1% A 48 PHE HBx 1.0 1.8 6.0 371 182 A 48 PHE HBy A 51 ILE HD1% 1.0 1.8 6.0 372 183 A 78 ILE HD1% A 48 PHE HBx 1.0 1.8 6.0 373 183 A 78 ILE HD1% A 48 PHE HBy 1.0 1.8 6.0 374 184 A 64 THR HA A 63 ILE HG2% 1.0 1.8 5.0 375 185 A 64 THR HA A 67 PHE HBx 1.0 1.8 5.0 376 185 A 67 PHE HBy A 64 THR HA 1.0 1.8 5.0 377 186 A 64 THR HA A 67 PHE HBx 1.0 1.8 5.0 378 186 A 67 PHE HBy A 64 THR HA 1.0 1.8 5.0 379 187 A 67 PHE HE% A 64 THR HA 1.0 1.8 5.0 380 188 A 67 PHE HD% A 64 THR HA 1.0 1.8 5.0 381 189 A 78 ILE HD1% A 83 PHE HBx 1.0 1.8 6.0 382 189 A 83 PHE HBy A 78 ILE HD1% 1.0 1.8 6.0 383 190 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 5.0 384 190 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 5.0 385 191 A 82 ALA HB% A 79 ASP HBx 1.0 1.8 3.0 386 191 A 82 ALA HB% A 79 ASP HBy 1.0 1.8 3.0 387 192 A 42 PHE HD% A 79 ASP HBx 1.0 1.8 6.0 388 192 A 79 ASP HBy A 42 PHE HD% 1.0 1.8 6.0 389 193 A 42 PHE HE% A 79 ASP HBx 1.0 1.8 5.0 390 193 A 79 ASP HBy A 42 PHE HE% 1.0 1.8 5.0 391 194 A 42 PHE HE% A 79 ASP HBx 1.0 1.8 6.0 392 194 A 79 ASP HBy A 42 PHE HE% 1.0 1.8 6.0 393 195 A 80 TYR HA A 43 VAL HGx% 1.0 1.8 6.0 394 195 A 80 TYR HA A 43 VAL HGy% 1.0 1.8 6.0 395 196 A 80 TYR HE% A 81 LYS HEx 1.0 1.8 6.0 396 196 A 81 LYS HEy A 80 TYR HE% 1.0 1.8 6.0 397 197 A 80 TYR HD% A 81 LYS HGx 1.0 1.8 6.0 398 197 A 80 TYR HD% A 81 LYS HGy 1.0 1.8 6.0 399 198 A 82 ALA HB% A 70 ALA HB% 1.0 1.8 3.0 400 199 A 67 PHE HBy A 63 ILE HG12 1.0 1.8 5.0 401 199 A 67 PHE HBy A 63 ILE HG2% 1.0 1.8 5.0 402 199 A 63 ILE HG13 A 67 PHE HBx 1.0 1.8 5.0 403 199 A 63 ILE HG12 A 67 PHE HBx 1.0 1.8 5.0 404 199 A 63 ILE HG2% A 67 PHE HBx 1.0 1.8 5.0 405 199 A 67 PHE HBy A 63 ILE HG13 1.0 1.8 5.0 406 200 A 67 PHE HBy A 63 ILE HG12 1.0 1.8 5.0 407 200 A 67 PHE HBy A 63 ILE HG2% 1.0 1.8 5.0 408 200 A 63 ILE HG13 A 67 PHE HBx 1.0 1.8 5.0 409 200 A 63 ILE HG12 A 67 PHE HBx 1.0 1.8 5.0 410 200 A 63 ILE HG2% A 67 PHE HBx 1.0 1.8 5.0 411 200 A 67 PHE HBy A 63 ILE HG13 1.0 1.8 5.0 412 201 A 52 ILE HD1% A 63 ILE HG13 1.0 1.8 5.0 413 201 A 52 ILE HD1% A 63 ILE HG2% 1.0 1.8 5.0 414 201 A 52 ILE HD1% A 63 ILE HG12 1.0 1.8 5.0 415 202 A 78 ILE HD1% A 83 PHE HA 1.0 1.8 5.0 416 203 A 83 PHE HA A 78 ILE HG2% 1.0 1.8 6.0 417 204 A 84 ALA HA A 28 LEU HDx% 1.0 1.8 5.0 418 204 A 84 ALA HA A 28 LEU HDy% 1.0 1.8 5.0 419 205 A 84 ALA HB% A 83 PHE HBx 1.0 1.8 6.0 420 205 A 83 PHE HBy A 84 ALA HB% 1.0 1.8 6.0 421 206 A 85 ALA HB% A 86 MET HBx 1.0 1.8 6.0 422 206 A 86 MET HBy A 85 ALA HB% 1.0 1.8 6.0 423 207 A 85 ALA HB% A 86 MET HBx 1.0 1.8 6.0 424 207 A 86 MET HBy A 85 ALA HB% 1.0 1.8 6.0 425 208 A 85 ALA HA A 88 TYR HBx 1.0 1.8 5.0 426 208 A 85 ALA HA A 88 TYR HBy 1.0 1.8 5.0 427 209 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 428 209 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 429 210 A 71 ASP HA A 72 PRO HDx 1.0 1.8 3.0 430 210 A 72 PRO HDy A 71 ASP HA 1.0 1.8 3.0 431 211 A 56 LEU HA A 57 PRO HDx 1.0 1.8 5.0 432 211 A 57 PRO HDy A 56 LEU HA 1.0 1.8 5.0 433 212 A 56 LEU HA A 57 PRO HDx 1.0 1.8 5.0 434 212 A 57 PRO HDy A 56 LEU HA 1.0 1.8 5.0 435 213 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 436 213 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 437 213 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 438 213 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 439 214 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 3.0 440 214 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 3.0 441 214 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 3.0 442 214 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 3.0 443 215 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 3.0 444 215 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 3.0 445 215 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 3.0 446 215 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 3.0 447 216 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 448 216 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 449 216 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 450 216 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 451 217 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 452 217 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 453 217 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 454 217 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 455 218 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 6.0 456 218 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 6.0 457 218 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 6.0 458 218 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 6.0 459 219 A 56 LEU HBx A 57 PRO HDx 1.0 1.8 5.0 460 219 A 56 LEU HBy A 57 PRO HDx 1.0 1.8 5.0 461 219 A 57 PRO HDy A 56 LEU HBx 1.0 1.8 5.0 462 219 A 57 PRO HDy A 56 LEU HBy 1.0 1.8 5.0 463 220 A 56 LEU HBy A 52 ILE HG2% 1.0 1.8 5.0 464 220 A 52 ILE HG2% A 56 LEU HBx 1.0 1.8 5.0 465 221 A 52 ILE HD1% A 57 PRO HA 1.0 1.8 6.0 466 222 A 57 PRO HA A 52 ILE HG2% 1.0 1.8 6.0 467 223 A 58 MET HBy A 63 ILE HG13 1.0 1.8 3.0 468 223 A 58 MET HBx A 63 ILE HG13 1.0 1.8 3.0 469 224 A 63 ILE HG12 A 58 MET HBx 1.0 1.8 3.0 470 224 A 58 MET HBy A 63 ILE HG12 1.0 1.8 3.0 471 225 A 59 THR HB A 61 ALA HB% 1.0 1.8 3.0 472 226 A 33 TYR HE% A 29 ILE HD1% 1.0 1.8 5.0 473 227 A 26 THR HA A 29 ILE HD1% 1.0 1.8 3.0 474 228 A 29 ILE HD1% A 25 LYS HEx 1.0 1.8 5.0 475 228 A 25 LYS HEy A 29 ILE HD1% 1.0 1.8 5.0 476 229 A 29 ILE HD1% A 26 THR HG2% 1.0 1.8 3.0 477 230 A 33 TYR HD% A 29 ILE HD1% 1.0 1.8 6.0 478 231 A 31 ALA HA A 34 ASN HBx 1.0 1.8 6.0 479 231 A 34 ASN HBy A 31 ALA HA 1.0 1.8 6.0 480 232 A 31 ALA HA A 34 ASN HBx 1.0 1.8 5.0 481 232 A 34 ASN HBy A 31 ALA HA 1.0 1.8 5.0 482 233 A 70 ALA HA A 72 PRO HDx 1.0 1.8 5.0 483 233 A 72 PRO HDy A 70 ALA HA 1.0 1.8 5.0 484 234 A 49 ARG HA A 52 ILE HG13 1.0 1.8 5.0 485 234 A 49 ARG HA A 52 ILE HG2% 1.0 1.8 5.0 486 234 A 49 ARG HA A 52 ILE HG12 1.0 1.8 5.0 487 235 A 29 ILE HA A 32 PHE HBx 1.0 1.8 5.0 488 235 A 29 ILE HA A 32 PHE HBy 1.0 1.8 5.0 489 236 A 29 ILE HA A 32 PHE HBx 1.0 1.8 5.0 490 236 A 29 ILE HA A 32 PHE HBy 1.0 1.8 5.0 491 237 A 71 ASP HA A 72 PRO HGx 1.0 1.8 6.0 492 237 A 72 PRO HGy A 71 ASP HA 1.0 1.8 6.0 493 238 A 71 ASP HA A 72 PRO HGx 1.0 1.8 6.0 494 238 A 72 PRO HGy A 71 ASP HA 1.0 1.8 6.0 495 239 A 52 ILE HD1% A 28 LEU HDx% 1.0 1.8 5.0 496 239 A 52 ILE HD1% A 28 LEU HDy% 1.0 1.8 5.0 497 240 A 80 TYR HE% A 43 VAL HGx% 1.0 1.8 5.0 498 240 A 80 TYR HE% A 43 VAL HGy% 1.0 1.8 5.0 499 241 A 58 MET HE% A 66 PHE HBx 1.0 1.8 5.0 500 241 A 66 PHE HBy A 58 MET HE% 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 21 MET C A 22 SER N A 22 SER CA A 22 SER C 1.0 -101.59 -41.59 PHI 2 2 A 22 SER N A 22 SER CA A 22 SER C A 23 ASP N 1.0 -60.82 3.18 PSI 3 3 A 22 SER C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -96.56 -36.56 PHI 4 4 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLU N 1.0 -70.36 -10.36 PSI 5 5 A 23 ASP C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -90.99 -30.99 PHI 6 6 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LYS N 1.0 -73.82 -13.82 PSI 7 7 A 24 GLU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -91.13 -31.13 PHI 8 8 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 THR N 1.0 -69.09 -9.09 PSI 9 9 A 25 LYS C A 26 THR N A 26 THR CA A 26 THR C 1.0 -90.27 -30.27 PHI 10 10 A 26 THR N A 26 THR CA A 26 THR C A 27 GLN N 1.0 -75.42 -15.42 PSI 11 11 A 26 THR C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -97.68 -37.68 PHI 12 12 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 LEU N 1.0 -64.46 -4.46 PSI 13 13 A 27 GLN C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -87.64 -27.64 PHI 14 14 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ILE N 1.0 -71.62 -11.62 PSI 15 15 A 28 LEU C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -95.50 -35.50 PHI 16 16 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 GLU N 1.0 -70.86 -10.86 PSI 17 17 A 29 ILE C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -95.02 -35.02 PHI 18 18 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 ALA N 1.0 -66.06 -1.38 PSI 19 19 A 30 GLU C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -93.22 -33.22 PHI 20 20 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 PHE N 1.0 -72.03 -12.03 PSI 21 21 A 31 ALA C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -99.14 -39.14 PHI 22 22 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 TYR N 1.0 -68.27 -8.27 PSI 23 23 A 41 GLY C A 42 PHE N A 42 PHE CA A 42 PHE C 1.0 -154.44 -52.96 PHI 24 24 A 42 PHE N A 42 PHE CA A 42 PHE C A 43 VAL N 1.0 123.90 183.90 PSI 25 25 A 42 PHE C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -182.42 -44.78 PHI 26 26 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 SER N 1.0 106.17 172.33 PSI 27 27 A 43 VAL C A 44 SER N A 44 SER CA A 44 SER C 1.0 -142.33 -26.13 PHI 28 28 A 44 SER N A 44 SER CA A 44 SER C A 45 VAL N 1.0 126.49 186.49 PSI 29 29 A 44 SER C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -89.41 -29.41 PHI 30 30 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLU N 1.0 -69.42 -9.42 PSI 31 31 A 45 VAL C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -93.67 -33.67 PHI 32 32 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLU N 1.0 -71.46 -11.46 PSI 33 33 A 46 GLU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -96.42 -36.42 PHI 34 34 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 PHE N 1.0 -70.64 -10.64 PSI 35 35 A 47 GLU C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -94.51 -34.51 PHI 36 36 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ARG N 1.0 -70.92 -10.92 PSI 37 37 A 48 PHE C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -90.64 -30.64 PHI 38 38 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 GLY N 1.0 -71.52 -11.52 PSI 39 39 A 50 GLY C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -95.57 -35.57 PHI 40 40 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ILE N 1.0 -64.83 -4.83 PSI 41 41 A 51 ILE C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -93.15 -33.15 PHI 42 42 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ARG N 1.0 -69.39 -9.39 PSI 43 43 A 52 ILE C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -94.25 -34.25 PHI 44 44 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 ASP N 1.0 -70.93 -10.93 PSI 45 45 A 53 ARG C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -111.55 -51.55 PHI 46 46 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 GLY N 1.0 -57.02 14.42 PSI 47 47 A 55 GLY C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -128.99 -51.59 PHI 48 48 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 PRO N 1.0 98.68 178.04 PSI 49 49 A 57 PRO C A 58 MET N A 58 MET CA A 58 MET C 1.0 -163.65 -47.29 PHI 50 50 A 58 MET N A 58 MET CA A 58 MET C A 59 THR N 1.0 119.28 179.28 PSI 51 51 A 58 MET C A 59 THR N A 59 THR CA A 59 THR C 1.0 -116.54 -56.54 PHI 52 52 A 59 THR N A 59 THR CA A 59 THR C A 60 GLU N 1.0 137.75 197.75 PSI 53 53 A 59 THR C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -87.15 -27.15 PHI 54 54 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ALA N 1.0 -68.98 -8.98 PSI 55 55 A 60 GLU C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -92.33 -32.33 PHI 56 56 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 GLU N 1.0 -72.51 -12.51 PSI 57 57 A 61 ALA C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -95.66 -35.66 PHI 58 58 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 ILE N 1.0 -70.86 -10.86 PSI 59 59 A 62 GLU C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -95.75 -35.75 PHI 60 60 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 THR N 1.0 -71.92 -11.92 PSI 61 61 A 63 ILE C A 64 THR N A 64 THR CA A 64 THR C 1.0 -92.50 -32.50 PHI 62 62 A 64 THR N A 64 THR CA A 64 THR C A 65 GLU N 1.0 -69.00 -9.00 PSI 63 63 A 64 THR C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -89.73 -29.73 PHI 64 64 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 PHE N 1.0 -71.72 -11.72 PSI 65 65 A 65 GLU C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -96.29 -36.29 PHI 66 66 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 PHE N 1.0 -71.96 -11.96 PSI 67 67 A 66 PHE C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -95.34 -35.34 PHI 68 68 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 GLU N 1.0 -67.61 -7.61 PSI 69 69 A 67 PHE C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -93.96 -33.96 PHI 70 70 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 ALA N 1.0 -70.13 -10.13 PSI 71 71 A 68 GLU C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -99.55 -39.55 PHI 72 72 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 ALA N 1.0 -57.60 2.40 PSI 73 73 A 69 ALA C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -112.22 -52.22 PHI 74 74 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ASP N 1.0 -64.30 29.66 PSI 75 75 A 71 ASP N A 71 ASP CA A 71 ASP C A 72 PRO N 1.0 33.91 131.79 PSI 76 76 A 71 ASP C A 72 PRO N A 72 PRO CA A 72 PRO C 1.0 -91.15 -31.15 PHI 77 77 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 ASN N 1.0 -53.85 6.15 PSI 78 78 A 72 PRO C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -128.57 -68.57 PHI 79 79 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 ASN N 1.0 -32.57 27.43 PSI 80 80 A 76 GLY C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -156.40 -84.76 PHI 81 81 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 ILE N 1.0 129.52 189.52 PSI 82 82 A 77 PHE C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -156.16 -96.16 PHI 83 83 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 ASP N 1.0 107.25 172.81 PSI 84 84 A 78 ILE C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -157.64 -36.52 PHI 85 85 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 TYR N 1.0 96.56 156.56 PSI 86 86 A 79 ASP C A 80 TYR N A 80 TYR CA A 80 TYR C 1.0 -88.79 -28.79 PHI 87 87 A 80 TYR N A 80 TYR CA A 80 TYR C A 81 LYS N 1.0 -67.55 -7.55 PSI 88 88 A 80 TYR C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -90.85 -30.85 PHI 89 89 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 ALA N 1.0 -71.74 -11.74 PSI 90 90 A 81 LYS C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -92.89 -32.89 PHI 91 91 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 PHE N 1.0 -72.06 -12.06 PSI 92 92 A 82 ALA C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -94.25 -34.25 PHI 93 93 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 ALA N 1.0 -72.32 -12.32 PSI 94 94 A 83 PHE C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -91.55 -31.55 PHI 95 95 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 ALA N 1.0 -69.39 -9.39 PSI 96 96 A 84 ALA C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -94.06 -34.06 PHI 97 97 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 MET N 1.0 -72.22 -12.22 PSI 98 98 A 85 ALA C A 86 MET N A 86 MET CA A 86 MET C 1.0 -96.19 -36.19 PHI 99 99 A 86 MET N A 86 MET CA A 86 MET C A 87 LEU N 1.0 -66.62 -6.62 PSI 100 100 A 86 MET C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -100.62 -40.62 PHI 101 101 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 TYR N 1.0 -59.23 0.77 PSI 102 102 A 87 LEU C A 88 TYR N A 88 TYR CA A 88 TYR C 1.0 -125.87 -60.83 PHI 103 103 A 88 TYR N A 88 TYR CA A 88 TYR C A 89 SER N 1.0 -38.17 21.83 PSI stop_ save_