data_nef_c16774_2kvc 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 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 ASN middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle . . 8 A 8 LEU middle . . 9 A 9 THR middle . . 10 A 10 SER middle . . 11 A 11 ILE middle . . 12 A 12 VAL middle . . 13 A 13 ALA middle . . 14 A 14 TRP middle . . 15 A 15 LEU middle . . 16 A 16 ARG middle . . 17 A 17 ALA middle . . 18 A 18 GLY middle . false 19 A 19 TYR middle . . 20 A 20 PRO middle . false 21 A 21 GLU middle . . 22 A 22 GLY middle . false 23 A 23 ILE middle . . 24 A 24 PRO middle . false 25 A 25 PRO middle . false 26 A 26 THR middle . . 27 A 27 ASP middle . . 28 A 28 SER middle . . 29 A 29 PHE middle . . 30 A 30 ALA middle . . 31 A 31 VAL middle . . 32 A 32 LEU middle . . 33 A 33 ALA middle . . 34 A 34 LEU middle . . 35 A 35 LEU middle . . 36 A 36 CYS middle . . 37 A 37 ARG middle . . 38 A 38 ARG middle . . 39 A 39 LEU middle . . 40 A 40 SER middle . . 41 A 41 HIS middle . . 42 A 42 ASP middle . . 43 A 43 GLU middle . . 44 A 44 VAL middle . . 45 A 45 LYS middle . . 46 A 46 ALA middle . . 47 A 47 VAL middle . . 48 A 48 ALA middle . . 49 A 49 ASN middle . . 50 A 50 GLU middle . . 51 A 51 LEU middle . . 52 A 52 MET middle . . 53 A 53 ARG middle . . 54 A 54 LEU middle . . 55 A 55 GLY middle . false 56 A 56 ASP middle . . 57 A 57 PHE middle . . 58 A 58 ASP middle . . 59 A 59 GLN middle . . 60 A 60 ILE middle . . 61 A 61 ASP middle . . 62 A 62 ILE middle . . 63 A 63 GLY middle . false 64 A 64 VAL middle . . 65 A 65 VAL middle . . 66 A 66 ILE middle . . 67 A 67 THR middle . . 68 A 68 HIS middle . . 69 A 69 PHE middle . . 70 A 70 THR middle . . 71 A 71 ASP middle . . 72 A 72 GLU middle . . 73 A 73 LEU middle . . 74 A 74 PRO middle . true 75 A 75 SER middle . . 76 A 76 PRO middle . false 77 A 77 GLU middle . . 78 A 78 ASP middle . . 79 A 79 VAL middle . . 80 A 80 GLU middle . . 81 A 81 ARG middle . . 82 A 82 VAL middle . . 83 A 83 ARG middle . . 84 A 84 ALA middle . . 85 A 85 ARG middle . . 86 A 86 LEU middle . . 87 A 87 ALA middle . . 88 A 88 ALA middle . . 89 A 89 GLN middle . . 90 A 90 GLY middle . false 91 A 91 TRP middle . . 92 A 92 PRO middle . false 93 A 93 LEU middle . . 94 A 94 ASP middle . . 95 A 95 ASP middle . . 96 A 96 VAL middle . . 97 A 97 ARG middle . . 98 A 98 ASP middle . . 99 A 99 ARG middle . . 100 A 100 GLU middle . . 101 A 101 GLU middle . . 102 A 102 HIS middle . . 103 A 103 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY H1 H 1 8.50 0.02 A 1 GLY HAx H 1 4.02 0.02 A 1 GLY HAy H 1 4.02 0.02 A 1 GLY CA C 13 45.3 0.2 A 2 SER H H 1 7.98 0.02 A 2 SER HA H 1 4.34 0.02 A 2 SER HBx H 1 3.91 0.02 A 2 SER HBy H 1 3.91 0.02 A 2 SER C C 13 173.5 0.2 A 2 SER CA C 13 60.0 0.2 A 2 SER CB C 13 64.9 0.2 A 2 SER N N 15 121.3 0.2 A 3 HIS HA H 1 4.14 0.02 A 3 HIS HBy H 1 3.13 0.02 A 3 HIS HBx H 1 2.87 0.02 A 3 HIS HD2 H 1 6.94 0.02 A 3 HIS C C 13 177.0 0.2 A 3 HIS CB C 13 31.9 0.2 A 3 HIS CD2 C 13 117.7 0.2 A 4 MET H H 1 8.24 0.02 A 4 MET HA H 1 4.53 0.02 A 4 MET HBx H 1 2.46 0.02 A 4 MET HBy H 1 2.46 0.02 A 4 MET HE% H 1 1.90 0.02 A 4 MET CA C 13 58.3 0.2 A 4 MET CB C 13 32.2 0.2 A 4 MET CE C 13 17.1 0.2 A 4 MET N N 15 121.1 0.2 A 5 ASN H H 1 7.92 0.02 A 5 ASN HA H 1 4.67 0.02 A 5 ASN HBy H 1 3.47 0.02 A 5 ASN HBx H 1 3.00 0.02 A 5 ASN HD2y H 1 7.73 0.02 A 5 ASN HD2x H 1 7.07 0.02 A 5 ASN CA C 13 56.3 0.2 A 5 ASN CB C 13 38.8 0.2 A 5 ASN N N 15 119.6 0.2 A 5 ASN ND2 N 15 112.4 0.2 A 6 ARG HA H 1 4.04 0.02 A 6 ARG HBx H 1 2.00 0.02 A 6 ARG HBy H 1 2.00 0.02 A 6 ARG HDx H 1 3.27 0.02 A 6 ARG HDy H 1 3.27 0.02 A 6 ARG HGy H 1 1.83 0.02 A 6 ARG HGx H 1 1.72 0.02 A 6 ARG C C 13 178.5 0.2 A 6 ARG CA C 13 60.1 0.2 A 6 ARG CB C 13 29.9 0.2 A 6 ARG CD C 13 43.3 0.2 A 6 ARG CG C 13 27.1 0.2 A 7 PHE H H 1 8.57 0.02 A 7 PHE HA H 1 4.42 0.02 A 7 PHE HBy H 1 3.38 0.02 A 7 PHE HBx H 1 3.02 0.02 A 7 PHE HDx H 1 7.19 0.02 A 7 PHE HDy H 1 7.19 0.02 A 7 PHE HEx H 1 7.19 0.02 A 7 PHE HEy H 1 7.19 0.02 A 7 PHE C C 13 178.2 0.2 A 7 PHE CA C 13 60.8 0.2 A 7 PHE CB C 13 39.1 0.2 A 7 PHE CDx C 13 131.6 0.2 A 7 PHE CDy C 13 131.6 0.2 A 7 PHE CEx C 13 131.6 0.2 A 7 PHE CEy C 13 131.6 0.2 A 7 PHE CZ C 13 131.6 0.2 A 7 PHE N N 15 122.0 0.2 A 8 LEU H H 1 8.97 0.02 A 8 LEU HA H 1 3.72 0.02 A 8 LEU HBy H 1 1.82 0.02 A 8 LEU HBx H 1 1.37 0.02 A 8 LEU HDx% H 1 1.15 0.02 A 8 LEU HDy% H 1 0.85 0.02 A 8 LEU HG H 1 2.22 0.02 A 8 LEU C C 13 179.4 0.2 A 8 LEU CA C 13 58.2 0.2 A 8 LEU CB C 13 41.2 0.2 A 8 LEU CDy C 13 26.5 0.2 A 8 LEU CDx C 13 26.1 0.2 A 8 LEU CG C 13 26.8 0.2 A 8 LEU N N 15 119.6 0.2 A 9 THR H H 1 8.55 0.02 A 9 THR HA H 1 3.79 0.02 A 9 THR HB H 1 4.31 0.02 A 9 THR HG2% H 1 1.27 0.02 A 9 THR C C 13 176.9 0.2 A 9 THR CA C 13 67.9 0.2 A 9 THR CB C 13 68.6 0.2 A 9 THR CG2 C 13 21.5 0.2 A 9 THR N N 15 116.4 0.2 A 10 SER H H 1 8.09 0.02 A 10 SER HA H 1 4.37 0.02 A 10 SER HBx H 1 3.98 0.02 A 10 SER HBy H 1 3.98 0.02 A 10 SER C C 13 176.5 0.2 A 10 SER CA C 13 61.7 0.2 A 10 SER CB C 13 62.4 0.2 A 10 SER N N 15 119.7 0.2 A 11 ILE H H 1 7.53 0.02 A 11 ILE HA H 1 3.86 0.02 A 11 ILE HB H 1 2.14 0.02 A 11 ILE HD1% H 1 0.07 0.02 A 11 ILE HG1y H 1 0.87 0.02 A 11 ILE HG1x H 1 0.81 0.02 A 11 ILE HG2% H 1 0.96 0.02 A 11 ILE C C 13 177.7 0.2 A 11 ILE CA C 13 63.4 0.2 A 11 ILE CB C 13 35.7 0.2 A 11 ILE CD1 C 13 10.9 0.2 A 11 ILE CG1 C 13 27.6 0.2 A 11 ILE CG2 C 13 18.4 0.2 A 11 ILE N N 15 125.2 0.2 A 12 VAL H H 1 8.17 0.02 A 12 VAL HA H 1 3.45 0.02 A 12 VAL HB H 1 2.33 0.02 A 12 VAL HG1% H 1 1.13 0.02 A 12 VAL HG2% H 1 0.94 0.02 A 12 VAL C C 13 177.1 0.2 A 12 VAL CA C 13 68.0 0.2 A 12 VAL CB C 13 31.7 0.2 A 12 VAL CG1 C 13 24.6 0.2 A 12 VAL CG2 C 13 21.2 0.2 A 12 VAL N N 15 121.1 0.2 A 13 ALA H H 1 8.06 0.02 A 13 ALA HA H 1 4.08 0.02 A 13 ALA HB% H 1 1.53 0.02 A 13 ALA CA C 13 55.4 0.2 A 13 ALA CB C 13 18.1 0.2 A 13 ALA N N 15 119.3 0.2 A 14 TRP H H 1 7.96 0.02 A 14 TRP HA H 1 4.58 0.02 A 14 TRP HB2 H 1 3.62 0.02 A 14 TRP HB3 H 1 3.28 0.02 A 14 TRP HD1 H 1 7.13 0.02 A 14 TRP HE1 H 1 9.48 0.02 A 14 TRP HE3 H 1 7.68 0.02 A 14 TRP HH2 H 1 6.16 0.02 A 14 TRP HZ2 H 1 7.18 0.02 A 14 TRP HZ3 H 1 6.50 0.02 A 14 TRP C C 13 177.9 0.2 A 14 TRP CA C 13 59.6 0.2 A 14 TRP CB C 13 28.5 0.2 A 14 TRP CD1 C 13 127.0 0.2 A 14 TRP CE3 C 13 120.2 0.2 A 14 TRP CH2 C 13 123.0 0.2 A 14 TRP CZ2 C 13 115.9 0.2 A 14 TRP CZ3 C 13 120.3 0.2 A 14 TRP N N 15 122.2 0.2 A 14 TRP NE1 N 15 131.7 0.2 A 15 LEU H H 1 8.45 0.02 A 15 LEU HA H 1 3.60 0.02 A 15 LEU HB2 H 1 2.11 0.02 A 15 LEU HB3 H 1 1.15 0.02 A 15 LEU HDx% H 1 0.54 0.02 A 15 LEU HDy% H 1 0.54 0.02 A 15 LEU HG H 1 0.78 0.02 A 15 LEU C C 13 179.0 0.2 A 15 LEU CA C 13 58.4 0.2 A 15 LEU CB C 13 42.1 0.2 A 15 LEU CD1 C 13 25.0 0.2 A 15 LEU CD2 C 13 25.0 0.2 A 15 LEU CG C 13 28.0 0.2 A 15 LEU N N 15 121.1 0.2 A 16 ARG H H 1 8.21 0.02 A 16 ARG HA H 1 3.93 0.02 A 16 ARG HBx H 1 1.99 0.02 A 16 ARG HBy H 1 1.99 0.02 A 16 ARG HD2 H 1 3.10 0.02 A 16 ARG HD3 H 1 3.10 0.02 A 16 ARG HGx H 1 2.03 0.02 A 16 ARG HGy H 1 2.03 0.02 A 16 ARG C C 13 178.5 0.2 A 16 ARG CA C 13 59.2 0.2 A 16 ARG CB C 13 30.0 0.2 A 16 ARG CD C 13 43.5 0.2 A 16 ARG CG C 13 28.4 0.2 A 16 ARG N N 15 116.3 0.2 A 17 ALA H H 1 7.95 0.02 A 17 ALA HA H 1 4.12 0.02 A 17 ALA HB% H 1 1.56 0.02 A 17 ALA C C 13 180.1 0.2 A 17 ALA CA C 13 54.2 0.2 A 17 ALA CB C 13 17.7 0.2 A 17 ALA N N 15 120.9 0.2 A 18 GLY H H 1 7.68 0.02 A 18 GLY HAy H 1 3.82 0.02 A 18 GLY HAx H 1 3.24 0.02 A 18 GLY C C 13 173.2 0.2 A 18 GLY CA C 13 46.0 0.2 A 18 GLY N N 15 103.5 0.2 A 19 TYR H H 1 7.79 0.02 A 19 TYR HA H 1 4.86 0.02 A 19 TYR HB2 H 1 2.66 0.02 A 19 TYR HB3 H 1 2.56 0.02 A 19 TYR HDx H 1 7.11 0.02 A 19 TYR HDy H 1 7.11 0.02 A 19 TYR HEx H 1 6.57 0.02 A 19 TYR HEy H 1 6.57 0.02 A 19 TYR CA C 13 56.6 0.2 A 19 TYR CB C 13 37.8 0.2 A 19 TYR CDx C 13 133.5 0.2 A 19 TYR CDy C 13 133.5 0.2 A 19 TYR CEx C 13 117.4 0.2 A 19 TYR CEy C 13 117.4 0.2 A 19 TYR N N 15 120.1 0.2 A 20 PRO HA H 1 4.55 0.02 A 20 PRO HBx H 1 2.37 0.02 A 20 PRO HBy H 1 2.37 0.02 A 20 PRO HDy H 1 3.49 0.02 A 20 PRO HDx H 1 3.32 0.02 A 20 PRO HG2 H 1 2.01 0.02 A 20 PRO HG3 H 1 2.01 0.02 A 20 PRO C C 13 178.0 0.2 A 20 PRO CA C 13 64.9 0.2 A 20 PRO CB C 13 32.0 0.2 A 20 PRO CD C 13 50.1 0.2 A 20 PRO CG C 13 27.4 0.2 A 21 GLU H H 1 9.03 0.02 A 21 GLU HA H 1 4.65 0.02 A 21 GLU HBy H 1 2.37 0.02 A 21 GLU HBx H 1 1.98 0.02 A 21 GLU HGy H 1 2.34 0.02 A 21 GLU HGx H 1 2.23 0.02 A 21 GLU C C 13 176.4 0.2 A 21 GLU CA C 13 55.1 0.2 A 21 GLU CB C 13 29.6 0.2 A 21 GLU CG C 13 36.6 0.2 A 21 GLU N N 15 117.3 0.2 A 22 GLY H H 1 7.66 0.02 A 22 GLY HAy H 1 4.57 0.02 A 22 GLY HAx H 1 3.78 0.02 A 22 GLY CA C 13 43.8 0.2 A 22 GLY N N 15 109.2 0.2 A 23 ILE H H 1 8.72 0.02 A 23 ILE HA H 1 3.79 0.02 A 23 ILE HB H 1 1.69 0.02 A 23 ILE HD1% H 1 0.64 0.02 A 23 ILE HG1y H 1 1.34 0.02 A 23 ILE HG1x H 1 0.13 0.02 A 23 ILE HG2% H 1 0.30 0.02 A 23 ILE C C 13 173.1 0.2 A 23 ILE CA C 13 59.4 0.2 A 23 ILE CB C 13 37.7 0.2 A 23 ILE CD1 C 13 14.5 0.2 A 23 ILE CG1 C 13 27.7 0.2 A 23 ILE CG2 C 13 16.8 0.2 A 23 ILE N N 15 123.8 0.2 A 24 PRO HA H 1 4.80 0.02 A 24 PRO HBy H 1 2.44 0.02 A 24 PRO HBx H 1 1.97 0.02 A 24 PRO HD2 H 1 4.21 0.02 A 24 PRO HD3 H 1 3.66 0.02 A 24 PRO HG2 H 1 2.18 0.02 A 24 PRO HG3 H 1 1.90 0.02 A 24 PRO CA C 13 61.5 0.2 A 24 PRO CB C 13 31.4 0.2 A 24 PRO CD C 13 51.7 0.2 A 24 PRO CG C 13 27.1 0.2 A 25 PRO HA H 1 4.37 0.02 A 25 PRO HBy H 1 2.39 0.02 A 25 PRO HBx H 1 1.98 0.02 A 25 PRO HD2 H 1 3.85 0.02 A 25 PRO HD3 H 1 3.85 0.02 A 25 PRO HGx H 1 2.11 0.02 A 25 PRO HGy H 1 2.11 0.02 A 25 PRO C C 13 178.4 0.2 A 25 PRO CA C 13 64.9 0.2 A 25 PRO CB C 13 31.6 0.2 A 25 PRO CD C 13 50.6 0.2 A 25 PRO CG C 13 27.8 0.2 A 26 THR H H 1 7.13 0.02 A 26 THR HA H 1 4.12 0.02 A 26 THR HB H 1 4.33 0.02 A 26 THR HG2% H 1 1.31 0.02 A 26 THR C C 13 176.0 0.2 A 26 THR CA C 13 63.2 0.2 A 26 THR CB C 13 68.9 0.2 A 26 THR CG2 C 13 22.4 0.2 A 26 THR N N 15 104.8 0.2 A 27 ASP H H 1 8.10 0.02 A 27 ASP HBy H 1 2.86 0.02 A 27 ASP HBx H 1 2.39 0.02 A 27 ASP C C 13 175.8 0.2 A 27 ASP CA C 13 54.2 0.2 A 27 ASP CB C 13 41.4 0.2 A 27 ASP N N 15 121.4 0.2 A 28 SER H H 1 7.36 0.02 A 28 SER HBy H 1 3.68 0.02 A 28 SER HBx H 1 3.62 0.02 A 28 SER CA C 13 62.7 0.2 A 28 SER CB C 13 62.9 0.2 A 28 SER N N 15 115.9 0.2 A 29 PHE H H 1 8.59 0.02 A 29 PHE HA H 1 4.41 0.02 A 29 PHE HBy H 1 3.36 0.02 A 29 PHE HBx H 1 2.91 0.02 A 29 PHE HDx H 1 7.22 0.02 A 29 PHE HDy H 1 7.22 0.02 A 29 PHE HEx H 1 7.44 0.02 A 29 PHE HEy H 1 7.44 0.02 A 29 PHE CA C 13 60.2 0.2 A 29 PHE CB C 13 37.2 0.2 A 29 PHE CDx C 13 129.9 0.2 A 29 PHE CDy C 13 129.9 0.2 A 29 PHE CEx C 13 132.1 0.2 A 29 PHE CEy C 13 132.1 0.2 A 29 PHE N N 15 119.9 0.2 A 30 ALA H H 1 8.46 0.02 A 30 ALA HA H 1 3.91 0.02 A 30 ALA HB% H 1 1.41 0.02 A 30 ALA C C 13 178.6 0.2 A 30 ALA CA C 13 55.5 0.2 A 30 ALA CB C 13 18.7 0.2 A 30 ALA N N 15 122.0 0.2 A 31 VAL H H 1 8.36 0.02 A 31 VAL HA H 1 3.55 0.02 A 31 VAL HB H 1 2.30 0.02 A 31 VAL HG1% H 1 1.06 0.02 A 31 VAL HG2% H 1 0.87 0.02 A 31 VAL C C 13 177.5 0.2 A 31 VAL CA C 13 67.5 0.2 A 31 VAL CB C 13 31.9 0.2 A 31 VAL CGy C 13 24.5 0.2 A 31 VAL CGx C 13 21.4 0.2 A 31 VAL N N 15 116.6 0.2 A 32 LEU H H 1 7.95 0.02 A 32 LEU HA H 1 4.03 0.02 A 32 LEU HB2 H 1 2.42 0.02 A 32 LEU HB3 H 1 1.44 0.02 A 32 LEU HDx% H 1 0.59 0.02 A 32 LEU HDy% H 1 0.59 0.02 A 32 LEU HG H 1 0.85 0.02 A 32 LEU C C 13 178.5 0.2 A 32 LEU CA C 13 58.4 0.2 A 32 LEU CB C 13 41.7 0.2 A 32 LEU CD1 C 13 21.9 0.2 A 32 LEU CD2 C 13 21.9 0.2 A 32 LEU CG C 13 26.2 0.2 A 32 LEU N N 15 116.8 0.2 A 33 ALA H H 1 8.85 0.02 A 33 ALA HA H 1 3.87 0.02 A 33 ALA HB% H 1 0.97 0.02 A 33 ALA CA C 13 55.8 0.2 A 33 ALA CB C 13 17.9 0.2 A 33 ALA N N 15 122.7 0.2 A 34 LEU H H 1 8.16 0.02 A 34 LEU HA H 1 4.05 0.02 A 34 LEU HB2 H 1 2.06 0.02 A 34 LEU HB3 H 1 1.84 0.02 A 34 LEU HG H 1 1.10 0.02 A 34 LEU CA C 13 58.5 0.2 A 34 LEU CB C 13 42.2 0.2 A 34 LEU CG C 13 25.0 0.2 A 34 LEU N N 15 119.1 0.2 A 35 LEU H H 1 8.25 0.02 A 35 LEU HA H 1 4.11 0.02 A 35 LEU HBy H 1 2.31 0.02 A 35 LEU HBx H 1 1.51 0.02 A 35 LEU HDx% H 1 0.97 0.02 A 35 LEU HDy% H 1 0.97 0.02 A 35 LEU HG H 1 0.84 0.02 A 35 LEU C C 13 179.3 0.2 A 35 LEU CA C 13 58.4 0.2 A 35 LEU CB C 13 42.3 0.2 A 35 LEU CDy C 13 22.5 0.2 A 35 LEU CDx C 13 22.4 0.2 A 35 LEU CG C 13 25.5 0.2 A 35 LEU N N 15 117.1 0.2 A 36 CYS H H 1 8.58 0.02 A 36 CYS HA H 1 4.47 0.02 A 36 CYS HB2 H 1 3.34 0.02 A 36 CYS HB3 H 1 3.34 0.02 A 36 CYS C C 13 175.1 0.2 A 36 CYS CA C 13 62.8 0.2 A 36 CYS CB C 13 28.0 0.2 A 36 CYS N N 15 115.8 0.2 A 37 ARG H H 1 7.54 0.02 A 37 ARG HA H 1 4.33 0.02 A 37 ARG HBx H 1 2.13 0.02 A 37 ARG HBy H 1 2.13 0.02 A 37 ARG HDx H 1 3.27 0.02 A 37 ARG HDy H 1 3.27 0.02 A 37 ARG HGy H 1 2.17 0.02 A 37 ARG HGx H 1 1.88 0.02 A 37 ARG C C 13 177.2 0.2 A 37 ARG CA C 13 58.5 0.2 A 37 ARG CB C 13 30.6 0.2 A 37 ARG CD C 13 44.0 0.2 A 37 ARG CG C 13 27.5 0.2 A 37 ARG N N 15 116.7 0.2 A 38 ARG H H 1 7.40 0.02 A 38 ARG HA H 1 4.81 0.02 A 38 ARG HBy H 1 2.05 0.02 A 38 ARG HBx H 1 1.72 0.02 A 38 ARG HDx H 1 3.36 0.02 A 38 ARG HDy H 1 3.36 0.02 A 38 ARG HGy H 1 1.77 0.02 A 38 ARG HGx H 1 1.70 0.02 A 38 ARG C C 13 174.6 0.2 A 38 ARG CA C 13 54.5 0.2 A 38 ARG CB C 13 34.3 0.2 A 38 ARG CD C 13 42.3 0.2 A 38 ARG CG C 13 27.0 0.2 A 38 ARG N N 15 114.2 0.2 A 39 LEU H H 1 8.36 0.02 A 39 LEU HA H 1 4.80 0.02 A 39 LEU HBy H 1 1.93 0.02 A 39 LEU HBx H 1 1.76 0.02 A 39 LEU HDx% H 1 0.95 0.02 A 39 LEU HDy% H 1 0.95 0.02 A 39 LEU HG H 1 0.90 0.02 A 39 LEU C C 13 176.3 0.2 A 39 LEU CA C 13 53.7 0.2 A 39 LEU CB C 13 43.5 0.2 A 39 LEU CDx C 13 23.9 0.2 A 39 LEU CDy C 13 23.9 0.2 A 39 LEU CG C 13 25.9 0.2 A 39 LEU N N 15 120.8 0.2 A 40 SER H H 1 9.35 0.02 A 40 SER HA H 1 4.55 0.02 A 40 SER HBx H 1 4.07 0.02 A 40 SER HBy H 1 4.07 0.02 A 40 SER C C 13 175.4 0.2 A 40 SER CA C 13 57.3 0.2 A 40 SER CB C 13 65.4 0.2 A 40 SER N N 15 117.0 0.2 A 41 HIS H H 1 9.33 0.2 A 41 HIS HA H 1 4.28 0.02 A 41 HIS HBy H 1 3.24 0.02 A 41 HIS HBx H 1 3.04 0.02 A 41 HIS HD2 H 1 7.04 0.02 A 41 HIS C C 13 177.5 0.2 A 41 HIS CA C 13 59.7 0.2 A 41 HIS CB C 13 30.7 0.2 A 41 HIS CD2 C 13 119.9 0.2 A 41 HIS N N 15 121.1 0.2 A 42 ASP H H 1 8.60 0.02 A 42 ASP HA H 1 4.42 0.02 A 42 ASP HBy H 1 2.65 0.02 A 42 ASP HBx H 1 2.58 0.02 A 42 ASP C C 13 179.4 0.2 A 42 ASP CA C 13 57.8 0.2 A 42 ASP CB C 13 40.5 0.2 A 42 ASP N N 15 117.2 0.2 A 43 GLU H H 1 7.82 0.02 A 43 GLU HA H 1 4.06 0.02 A 43 GLU HBy H 1 2.73 0.02 A 43 GLU HBx H 1 1.99 0.02 A 43 GLU HGy H 1 2.57 0.02 A 43 GLU HGx H 1 2.36 0.02 A 43 GLU C C 13 178.0 0.2 A 43 GLU CA C 13 59.5 0.2 A 43 GLU CB C 13 31.1 0.2 A 43 GLU CG C 13 38.0 0.2 A 43 GLU N N 15 122.1 0.2 A 44 VAL H H 1 8.80 0.02 A 44 VAL HA H 1 3.27 0.02 A 44 VAL HB H 1 2.14 0.02 A 44 VAL HG1% H 1 1.21 0.02 A 44 VAL HG2% H 1 0.85 0.02 A 44 VAL C C 13 177.7 0.2 A 44 VAL CA C 13 67.9 0.2 A 44 VAL CB C 13 31.6 0.2 A 44 VAL CG1 C 13 25.0 0.2 A 44 VAL CG2 C 13 22.3 0.2 A 44 VAL N N 15 119.8 0.2 A 45 LYS H H 1 8.28 0.02 A 45 LYS HA H 1 3.69 0.02 A 45 LYS HB2 H 1 1.88 0.02 A 45 LYS HB3 H 1 1.84 0.02 A 45 LYS HGx H 1 0.86 0.02 A 45 LYS HGy H 1 0.86 0.02 A 45 LYS C C 13 177.7 0.2 A 45 LYS CA C 13 60.6 0.2 A 45 LYS CB C 13 32.3 0.2 A 45 LYS CG C 13 25.8 0.2 A 45 LYS N N 15 117.6 0.2 A 46 ALA H H 1 7.68 0.02 A 46 ALA HA H 1 4.16 0.02 A 46 ALA HB% H 1 1.56 0.02 A 46 ALA CA C 13 55.4 0.2 A 46 ALA CB C 13 18.1 0.2 A 46 ALA N N 15 121.1 0.2 A 47 VAL H H 1 8.13 0.02 A 47 VAL HA H 1 3.34 0.02 A 47 VAL HB H 1 2.09 0.02 A 47 VAL HGx% H 1 1.03 0.02 A 47 VAL HGy% H 1 0.74 0.02 A 47 VAL C C 13 177.1 0.2 A 47 VAL CA C 13 66.6 0.2 A 47 VAL CB C 13 32.2 0.2 A 47 VAL CGy C 13 23.9 0.2 A 47 VAL CGx C 13 21.4 0.2 A 47 VAL N N 15 118.7 0.2 A 48 ALA H H 1 8.89 0.02 A 48 ALA HA H 1 3.63 0.02 A 48 ALA HB% H 1 1.07 0.02 A 48 ALA C C 13 178.9 0.2 A 48 ALA CA C 13 55.3 0.2 A 48 ALA CB C 13 17.9 0.2 A 48 ALA N N 15 120.5 0.2 A 49 ASN H H 1 8.82 0.02 A 49 ASN HA H 1 4.61 0.02 A 49 ASN HBy H 1 3.02 0.02 A 49 ASN HBx H 1 2.77 0.02 A 49 ASN HD2y H 1 7.49 0.02 A 49 ASN HD2x H 1 6.83 0.02 A 49 ASN C C 13 178.3 0.2 A 49 ASN CA C 13 56.1 0.2 A 49 ASN CB C 13 38.1 0.2 A 49 ASN N N 15 116.0 0.2 A 49 ASN ND2 N 15 110.5 0.2 A 50 GLU H H 1 7.60 0.02 A 50 GLU HA H 1 4.60 0.02 A 50 GLU HBy H 1 2.18 0.02 A 50 GLU HBx H 1 2.08 0.02 A 50 GLU HGy H 1 2.51 0.02 A 50 GLU HGx H 1 2.28 0.02 A 50 GLU C C 13 178.2 0.2 A 50 GLU CA C 13 58.3 0.2 A 50 GLU CB C 13 28.7 0.2 A 50 GLU CG C 13 34.7 0.2 A 50 GLU N N 15 121.9 0.2 A 51 LEU H H 1 7.90 0.02 A 51 LEU HA H 1 4.11 0.02 A 51 LEU HB2 H 1 1.91 0.02 A 51 LEU HB3 H 1 1.42 0.02 A 51 LEU HDx% H 1 0.91 0.02 A 51 LEU HDy% H 1 0.91 0.02 A 51 LEU HG H 1 0.74 0.02 A 51 LEU C C 13 179.7 0.2 A 51 LEU CA C 13 57.9 0.2 A 51 LEU CB C 13 42.3 0.2 A 51 LEU CDx C 13 23.5 0.2 A 51 LEU CDy C 13 23.5 0.2 A 51 LEU CG C 13 26.8 0.2 A 51 LEU N N 15 118.4 0.2 A 52 MET H H 1 8.84 0.02 A 52 MET HA H 1 4.49 0.02 A 52 MET HBy H 1 2.39 0.02 A 52 MET HBx H 1 2.18 0.02 A 52 MET HE% H 1 2.32 0.02 A 52 MET HGx H 1 2.82 0.02 A 52 MET HGy H 1 2.82 0.02 A 52 MET C C 13 179.9 0.2 A 52 MET CA C 13 59.4 0.2 A 52 MET CB C 13 33.6 0.2 A 52 MET CE C 13 17.8 0.2 A 52 MET CG C 13 32.4 0.2 A 52 MET N N 15 119.7 0.2 A 53 ARG H H 1 8.12 0.02 A 53 ARG HA H 1 4.08 0.02 A 53 ARG HBy H 1 2.16 0.02 A 53 ARG HBx H 1 2.01 0.02 A 53 ARG HDy H 1 3.40 0.02 A 53 ARG HDx H 1 3.12 0.02 A 53 ARG HGy H 1 1.76 0.02 A 53 ARG HGx H 1 1.64 0.02 A 53 ARG C C 13 178.2 0.2 A 53 ARG CA C 13 59.4 0.2 A 53 ARG CB C 13 30.2 0.2 A 53 ARG CD C 13 43.3 0.2 A 53 ARG CG C 13 27.6 0.2 A 53 ARG N N 15 122.7 0.2 A 54 LEU H H 1 7.62 0.02 A 54 LEU HA H 1 4.29 0.02 A 54 LEU HBy H 1 1.83 0.02 A 54 LEU HBx H 1 1.67 0.02 A 54 LEU HDx% H 1 0.86 0.02 A 54 LEU HDy% H 1 0.86 0.02 A 54 LEU HG H 1 0.84 0.02 A 54 LEU C C 13 177.2 0.2 A 54 LEU CA C 13 55.2 0.2 A 54 LEU CB C 13 42.8 0.2 A 54 LEU CDx C 13 22.1 0.2 A 54 LEU CDy C 13 22.1 0.2 A 54 LEU CG C 13 25.4 0.2 A 54 LEU N N 15 116.6 0.2 A 55 GLY H H 1 7.84 0.02 A 55 GLY HAy H 1 4.31 0.02 A 55 GLY HAx H 1 3.90 0.02 A 55 GLY CA C 13 45.3 0.2 A 55 GLY N N 15 106.7 0.2 A 57 PHE HDx H 1 7.36 0.02 A 57 PHE HDy H 1 7.36 0.02 A 57 PHE HEx H 1 7.10 0.02 A 57 PHE HEy H 1 7.10 0.02 A 57 PHE CDx C 13 132.1 0.2 A 57 PHE CDy C 13 132.1 0.2 A 57 PHE CEx C 13 129.9 0.2 A 57 PHE CEy C 13 129.9 0.2 A 58 ASP HA H 1 4.39 0.02 A 58 ASP HBx H 1 2.45 0.02 A 58 ASP HBy H 1 2.45 0.02 A 58 ASP C C 13 175.3 0.2 A 58 ASP CA C 13 55.1 0.2 A 58 ASP CB C 13 41.4 0.2 A 59 GLN H H 1 8.13 0.02 A 59 GLN HA H 1 4.46 0.02 A 59 GLN HBy H 1 2.15 0.02 A 59 GLN HBx H 1 2.07 0.02 A 59 GLN HE2y H 1 7.65 0.02 A 59 GLN HE2x H 1 6.88 0.02 A 59 GLN HGy H 1 2.44 0.02 A 59 GLN HGx H 1 2.39 0.02 A 59 GLN C C 13 175.3 0.2 A 59 GLN CA C 13 56.4 0.2 A 59 GLN CB C 13 27.5 0.2 A 59 GLN CG C 13 33.8 0.2 A 59 GLN N N 15 118.7 0.2 A 59 GLN NE2 N 15 113.0 0.2 A 60 ILE H H 1 7.58 0.02 A 60 ILE HA H 1 4.46 0.02 A 60 ILE HB H 1 1.82 0.02 A 60 ILE HD1% H 1 0.87 0.02 A 60 ILE HG1y H 1 1.29 0.02 A 60 ILE HG1x H 1 1.15 0.02 A 60 ILE HG2% H 1 0.83 0.02 A 60 ILE C C 13 174.4 0.2 A 60 ILE CA C 13 59.9 0.2 A 60 ILE CB C 13 41.5 0.2 A 60 ILE CD1 C 13 14.0 0.2 A 60 ILE CG1 C 13 26.1 0.2 A 60 ILE CG2 C 13 18.1 0.2 A 60 ILE N N 15 121.6 0.2 A 61 ASP H H 1 8.61 0.02 A 61 ASP HA H 1 4.74 0.02 A 61 ASP HBy H 1 3.03 0.02 A 61 ASP HBx H 1 2.43 0.02 A 61 ASP C C 13 175.7 0.2 A 61 ASP CA C 13 52.7 0.2 A 61 ASP CB C 13 39.6 0.2 A 61 ASP N N 15 123.4 0.2 A 62 ILE H H 1 8.10 0.02 A 62 ILE HA H 1 3.41 0.02 A 62 ILE HB H 1 1.94 0.02 A 62 ILE HD1% H 1 0.62 0.02 A 62 ILE HG1y H 1 1.53 0.02 A 62 ILE HG1x H 1 1.39 0.02 A 62 ILE HG2% H 1 0.70 0.02 A 62 ILE C C 13 176.6 0.2 A 62 ILE CA C 13 62.8 0.2 A 62 ILE CB C 13 36.7 0.2 A 62 ILE CD1 C 13 12.1 0.2 A 62 ILE CG1 C 13 27.1 0.2 A 62 ILE CG2 C 13 18.4 0.2 A 62 ILE N N 15 124.5 0.2 A 63 GLY H H 1 8.51 0.02 A 63 GLY HAx H 1 3.52 0.02 A 63 GLY HAy H 1 3.93 0.02 A 63 GLY C C 13 175.7 0.2 A 63 GLY CA C 13 47.0 0.2 A 63 GLY N N 15 104.0 0.2 A 64 VAL H H 1 7.31 0.02 A 64 VAL HA H 1 3.72 0.02 A 64 VAL HB H 1 1.95 0.02 A 64 VAL HGx% H 1 0.94 0.02 A 64 VAL HGy% H 1 0.79 0.02 A 64 VAL C C 13 178.4 0.2 A 64 VAL CA C 13 65.3 0.2 A 64 VAL CB C 13 32.4 0.2 A 64 VAL CGy C 13 22.5 0.2 A 64 VAL CGx C 13 21.1 0.2 A 64 VAL N N 15 119.8 0.2 A 65 VAL H H 1 7.89 0.02 A 65 VAL HA H 1 3.44 0.02 A 65 VAL HB H 1 1.79 0.02 A 65 VAL HGx% H 1 0.88 0.02 A 65 VAL HGy% H 1 0.53 0.02 A 65 VAL C C 13 178.5 0.2 A 65 VAL CA C 13 66.4 0.2 A 65 VAL CB C 13 31.7 0.2 A 65 VAL CGy C 13 22.2 0.2 A 65 VAL CGx C 13 21.5 0.2 A 65 VAL N N 15 120.0 0.2 A 66 ILE H H 1 7.63 0.02 A 66 ILE HA H 1 2.90 0.02 A 66 ILE HB H 1 1.92 0.02 A 66 ILE HD1% H 1 0.36 0.02 A 66 ILE HG1y H 1 1.29 0.02 A 66 ILE HG1x H 1 0.79 0.02 A 66 ILE HG2% H 1 0.72 0.02 A 66 ILE C C 13 176.7 0.2 A 66 ILE CA C 13 63.2 0.2 A 66 ILE CB C 13 36.5 0.2 A 66 ILE CD1 C 13 13.5 0.2 A 66 ILE CG1 C 13 24.9 0.1 A 66 ILE CG2 C 13 17.5 0.2 A 66 ILE N N 15 110.1 0.2 A 67 THR H H 1 7.05 0.02 A 67 THR HA H 1 4.33 0.02 A 67 THR HB H 1 4.33 0.02 A 67 THR HG2% H 1 1.24 0.02 A 67 THR C C 13 175.1 0.2 A 67 THR CA C 13 62.2 0.2 A 67 THR CB C 13 69.5 0.2 A 67 THR CG2 C 13 22.0 0.2 A 67 THR N N 15 109.0 0.2 A 68 HIS H H 1 7.37 0.02 A 68 HIS HBy H 1 3.57 0.02 A 68 HIS HBx H 1 2.94 0.02 A 68 HIS HD2 H 1 7.16 0.02 A 68 HIS C C 13 175.0 0.2 A 68 HIS CA C 13 56.0 0.2 A 68 HIS CB C 13 29.6 0.2 A 68 HIS CD2 C 13 120.7 0.2 A 68 HIS N N 15 118.7 0.2 A 69 PHE H H 1 7.56 0.02 A 69 PHE HA H 1 5.27 0.02 A 69 PHE HBy H 1 3.57 0.02 A 69 PHE HBx H 1 3.16 0.02 A 69 PHE HDx H 1 7.35 0.02 A 69 PHE HDy H 1 7.35 0.02 A 69 PHE HEx H 1 7.02 0.02 A 69 PHE HEy H 1 7.02 0.02 A 69 PHE C C 13 176.9 0.2 A 69 PHE CA C 13 56.5 0.2 A 69 PHE CB C 13 38.1 0.2 A 69 PHE CDx C 13 131.1 0.2 A 69 PHE CDy C 13 131.1 0.2 A 69 PHE CEx C 13 130.7 0.2 A 69 PHE CEy C 13 130.7 0.2 A 69 PHE N N 15 119.8 0.2 A 70 THR H H 1 9.07 0.02 A 70 THR HA H 1 4.94 0.02 A 70 THR HB H 1 4.77 0.02 A 70 THR HG2% H 1 1.37 0.02 A 70 THR C C 13 174.9 0.2 A 70 THR CA C 13 59.6 0.2 A 70 THR CB C 13 72.6 0.2 A 70 THR CG2 C 13 21.5 0.2 A 70 THR N N 15 113.8 0.2 A 71 ASP H H 1 8.78 0.02 A 71 ASP HA H 1 4.51 0.02 A 71 ASP HBy H 1 2.79 0.02 A 71 ASP HBx H 1 2.71 0.02 A 71 ASP C C 13 176.5 0.2 A 71 ASP CA C 13 56.5 0.2 A 71 ASP CB C 13 40.2 0.2 A 71 ASP N N 15 117.8 0.2 A 72 GLU H H 1 7.98 0.02 A 72 GLU HA H 1 4.37 0.02 A 72 GLU HBy H 1 2.14 0.02 A 72 GLU HBx H 1 1.84 0.02 A 72 GLU HGx H 1 2.25 0.02 A 72 GLU HGy H 1 2.25 0.02 A 72 GLU C C 13 174.5 0.2 A 72 GLU CA C 13 56.3 0.2 A 72 GLU CB C 13 31.5 0.2 A 72 GLU CG C 13 36.6 0.2 A 72 GLU N N 15 115.2 0.2 A 73 LEU H H 1 7.30 0.02 A 73 LEU HA H 1 4.63 0.02 A 73 LEU HBy H 1 1.96 0.02 A 73 LEU HBx H 1 1.44 0.02 A 73 LEU CA C 13 52.5 0.2 A 73 LEU CB C 13 44.9 0.2 A 73 LEU N N 15 123.7 0.2 A 74 PRO HA H 1 4.93 0.02 A 74 PRO HB2 H 1 2.30 0.02 A 74 PRO HB3 H 1 1.97 0.02 A 74 PRO HDy H 1 3.48 0.02 A 74 PRO HDx H 1 2.94 0.02 A 74 PRO HG2 H 1 1.45 0.02 A 74 PRO HG3 H 1 1.45 0.02 A 74 PRO C C 13 175.0 0.2 A 74 PRO CA C 13 62.3 0.2 A 74 PRO CB C 13 34.3 0.2 A 74 PRO CD C 13 49.8 0.2 A 74 PRO CG C 13 25.0 0.2 A 75 SER H H 1 9.13 0.02 A 75 SER HA H 1 4.63 0.02 A 75 SER HBy H 1 4.45 0.02 A 75 SER HBx H 1 4.11 0.02 A 75 SER CA C 13 56.7 0.2 A 75 SER CB C 13 63.1 0.2 A 75 SER N N 15 117.9 0.2 A 76 PRO HA H 1 4.26 0.02 A 76 PRO HBy H 1 2.44 0.02 A 76 PRO HBx H 1 2.01 0.02 A 76 PRO HDx H 1 4.03 0.02 A 76 PRO HDy H 1 4.03 0.02 A 76 PRO HGy H 1 2.29 0.02 A 76 PRO HGx H 1 2.17 0.02 A 76 PRO C C 13 179.5 0.2 A 76 PRO CA C 13 65.4 0.2 A 76 PRO CB C 13 31.7 0.2 A 76 PRO CD C 13 50.6 0.2 A 76 PRO CG C 13 28.1 0.2 A 77 GLU H H 1 8.70 0.02 A 77 GLU HA H 1 4.09 0.02 A 77 GLU HBy H 1 2.10 0.02 A 77 GLU HBx H 1 1.98 0.02 A 77 GLU HGy H 1 2.42 0.02 A 77 GLU HGx H 1 2.31 0.02 A 77 GLU CA C 13 60.0 0.2 A 77 GLU CB C 13 29.0 0.2 A 77 GLU CG C 13 36.9 0.2 A 77 GLU N N 15 117.6 0.2 A 78 ASP H H 1 7.96 0.02 A 78 ASP HA H 1 4.56 0.02 A 78 ASP HBy H 1 3.05 0.02 A 78 ASP HBx H 1 2.65 0.02 A 78 ASP CA C 13 57.5 0.2 A 78 ASP CB C 13 41.0 0.2 A 78 ASP N N 15 122.6 0.2 A 79 VAL HA H 1 3.50 0.02 A 79 VAL HB H 1 2.11 0.02 A 79 VAL HGx% H 1 0.93 0.02 A 79 VAL HGy% H 1 0.98 0.02 A 79 VAL C C 13 177.3 0.2 A 79 VAL CA C 13 67.5 0.2 A 79 VAL CB C 13 31.5 0.2 A 79 VAL CGy C 13 23.1 0.2 A 79 VAL CGx C 13 21.5 0.2 A 80 GLU H H 1 8.20 0.02 A 80 GLU HA H 1 4.37 0.02 A 80 GLU HBy H 1 2.11 0.02 A 80 GLU HBx H 1 1.97 0.02 A 80 GLU HGy H 1 2.49 0.02 A 80 GLU HGx H 1 2.28 0.02 A 80 GLU C C 13 177.8 0.2 A 80 GLU CA C 13 58.1 0.2 A 80 GLU CB C 13 28.5 0.2 A 80 GLU CG C 13 34.9 0.2 A 80 GLU N N 15 118.4 0.2 A 81 ARG H H 1 7.88 0.02 A 81 ARG HA H 1 4.15 0.02 A 81 ARG HBy H 1 2.16 0.02 A 81 ARG HBx H 1 1.99 0.02 A 81 ARG HDy H 1 3.49 0.02 A 81 ARG HDx H 1 3.31 0.02 A 81 ARG HGy H 1 1.74 0.02 A 81 ARG HGx H 1 1.50 0.02 A 81 ARG C C 13 179.4 0.2 A 81 ARG CA C 13 59.6 0.2 A 81 ARG CB C 13 30.1 0.2 A 81 ARG CD C 13 42.8 0.2 A 81 ARG CG C 13 28.1 0.2 A 81 ARG N N 15 120.6 0.2 A 82 VAL H H 1 7.85 0.02 A 82 VAL HA H 1 3.79 0.02 A 82 VAL HB H 1 2.19 0.02 A 82 VAL HG1% H 1 1.17 0.02 A 82 VAL HG2% H 1 1.09 0.02 A 82 VAL CA C 13 66.3 0.2 A 82 VAL CB C 13 31.8 0.2 A 82 VAL CG1 C 13 22.5 0.2 A 82 VAL CG2 C 13 22.3 0.2 A 82 VAL N N 15 119.6 0.2 A 83 ARG H H 1 9.09 0.02 A 83 ARG HA H 1 3.98 0.02 A 83 ARG HBy H 1 2.15 0.02 A 83 ARG HBx H 1 2.01 0.02 A 83 ARG HDy H 1 3.14 0.02 A 83 ARG HDx H 1 2.97 0.02 A 83 ARG HGy H 1 1.73 0.02 A 83 ARG HGx H 1 1.59 0.02 A 83 ARG C C 13 178.0 0.2 A 83 ARG CA C 13 60.7 0.2 A 83 ARG CB C 13 29.7 0.2 A 83 ARG CD C 13 42.4 0.2 A 83 ARG CG C 13 26.2 0.2 A 83 ARG N N 15 121.8 0.2 A 84 ALA H H 1 8.42 0.02 A 84 ALA HA H 1 4.03 0.02 A 84 ALA HB% H 1 1.51 0.02 A 84 ALA C C 13 180.6 0.2 A 84 ALA CA C 13 55.2 0.2 A 84 ALA CB C 13 18.1 0.2 A 84 ALA N N 15 118.5 0.2 A 85 ARG H H 1 7.57 0.02 A 85 ARG HA H 1 4.09 0.02 A 85 ARG HBx H 1 1.94 0.02 A 85 ARG HBy H 1 1.94 0.02 A 85 ARG HDy H 1 3.00 0.02 A 85 ARG HDx H 1 2.70 0.02 A 85 ARG HGy H 1 1.52 0.02 A 85 ARG HGx H 1 1.00 0.02 A 85 ARG CA C 13 58.9 0.2 A 85 ARG CB C 13 30.2 0.2 A 85 ARG CD C 13 43.3 0.2 A 85 ARG CG C 13 27.4 0.2 A 85 ARG N N 15 118.6 0.2 A 86 LEU H H 1 8.48 0.02 A 86 LEU HA H 1 3.94 0.02 A 86 LEU HB2 H 1 2.00 0.02 A 86 LEU HB3 H 1 1.34 0.02 A 86 LEU HDx% H 1 0.31 0.02 A 86 LEU HDy% H 1 0.31 0.02 A 86 LEU HG H 1 0.49 0.02 A 86 LEU C C 13 179.6 0.2 A 86 LEU CA C 13 56.9 0.2 A 86 LEU CB C 13 42.2 0.2 A 86 LEU CD1 C 13 23.6 0.2 A 86 LEU CD2 C 13 23.5 0.2 A 86 LEU CG C 13 25.8 0.2 A 86 LEU N N 15 118.7 0.2 A 87 ALA H H 1 9.26 0.02 A 87 ALA HA H 1 5.30 0.02 A 87 ALA HB% H 1 1.66 0.02 A 87 ALA C C 13 179.7 0.2 A 87 ALA CA C 13 54.1 0.2 A 87 ALA CB C 13 18.4 0.2 A 87 ALA N N 15 120.3 0.2 A 88 ALA H H 1 7.29 0.02 A 88 ALA HA H 1 4.35 0.02 A 88 ALA HB% H 1 1.60 0.02 A 88 ALA C C 13 178.4 0.2 A 88 ALA CA C 13 54.4 0.2 A 88 ALA CB C 13 18.3 0.2 A 88 ALA N N 15 119.6 0.2 A 89 GLN H H 1 7.89 0.02 A 89 GLN HA H 1 4.76 0.02 A 89 GLN HBy H 1 2.68 0.02 A 89 GLN HBx H 1 2.33 0.02 A 89 GLN HE2y H 1 7.90 0.02 A 89 GLN HE2x H 1 6.85 0.02 A 89 GLN HGy H 1 2.44 0.02 A 89 GLN HGx H 1 2.20 0.02 A 89 GLN C C 13 175.7 0.2 A 89 GLN CA C 13 54.9 0.2 A 89 GLN CB C 13 28.9 0.2 A 89 GLN CG C 13 34.0 0.2 A 89 GLN N N 15 114.1 0.2 A 89 GLN NE2 N 15 111.5 0.2 A 90 GLY H H 1 7.89 0.02 A 90 GLY HAy H 1 4.53 0.02 A 90 GLY HAx H 1 3.91 0.02 A 90 GLY C C 13 171.9 0.2 A 90 GLY CA C 13 44.3 0.2 A 90 GLY N N 15 108.4 0.2 A 91 TRP H H 1 8.49 0.02 A 91 TRP HA H 1 4.51 0.02 A 91 TRP HBy H 1 3.37 0.02 A 91 TRP HBx H 1 3.13 0.02 A 91 TRP HD1 H 1 7.09 0.02 A 91 TRP HE1 H 1 10.35 0.02 A 91 TRP HE3 H 1 8.07 0.02 A 91 TRP HH2 H 1 7.32 0.02 A 91 TRP HZ2 H 1 7.64 0.02 A 91 TRP HZ3 H 1 7.51 0.02 A 91 TRP C C 13 171.9 0.2 A 91 TRP CA C 13 55.7 0.2 A 91 TRP CB C 13 29.1 0.2 A 91 TRP CD1 C 13 127.7 0.2 A 91 TRP CE3 C 13 121.5 0.2 A 91 TRP CH2 C 13 124.3 0.2 A 91 TRP CZ2 C 13 115.2 0.2 A 91 TRP CZ3 C 13 121.5 0.2 A 91 TRP N N 15 115.8 0.2 A 91 TRP NE1 N 15 130.1 0.2 A 92 PRO HA H 1 4.43 0.02 A 92 PRO HBy H 1 1.85 0.02 A 92 PRO HBx H 1 1.54 0.02 A 92 PRO HDy H 1 2.24 0.02 A 92 PRO HDx H 1 0.96 0.02 A 92 PRO HG2 H 1 1.08 0.02 A 92 PRO HG3 H 1 0.37 0.02 A 92 PRO C C 13 175.5 0.2 A 92 PRO CA C 13 65.2 0.2 A 92 PRO CB C 13 31.3 0.2 A 92 PRO CD C 13 48.0 0.2 A 92 PRO CG C 13 26.4 0.2 A 93 LEU HA H 1 3.80 0.02 A 93 LEU HBy H 1 1.24 0.02 A 93 LEU HBx H 1 0.80 0.02 A 93 LEU HDx% H 1 0.71 0.02 A 93 LEU HDy% H 1 0.71 0.02 A 93 LEU CA C 13 55.8 0.2 A 93 LEU CB C 13 41.9 0.2 A 93 LEU CDx C 13 23.7 0.2 A 93 LEU CDy C 13 23.7 0.2 A 93 LEU CG C 13 25.0 . A 94 ASP H H 1 7.49 0.02 A 94 ASP HBy H 1 2.99 0.02 A 94 ASP HBx H 1 2.70 0.02 A 94 ASP C C 13 175.8 0.2 A 94 ASP CA C 13 54.2 0.2 A 94 ASP CB C 13 41.8 0.02 A 94 ASP N N 15 115.8 0.2 A 95 ASP H H 1 7.73 0.02 A 95 ASP HA H 1 4.58 0.02 A 95 ASP HBx H 1 2.75 0.02 A 95 ASP HBy H 1 2.75 0.02 A 95 ASP C C 13 175.9 0.2 A 95 ASP CA C 13 54.5 0.2 A 95 ASP CB C 13 40.9 0.2 A 95 ASP N N 15 121.5 0.2 A 96 VAL H H 1 8.10 0.02 A 96 VAL HA H 1 3.91 0.02 A 96 VAL HB H 1 2.05 0.02 A 96 VAL HGx% H 1 0.95 0.02 A 96 VAL HGy% H 1 0.95 0.02 A 96 VAL C C 13 176.5 0.2 A 96 VAL CA C 13 62.6 0.2 A 96 VAL CB C 13 32.1 0.2 A 96 VAL CGx C 13 20.6 0.2 A 96 VAL CGy C 13 20.6 0.2 A 96 VAL N N 15 118.7 0.2 A 97 ARG H H 1 8.25 0.02 A 97 ARG HA H 1 4.10 0.02 A 97 ARG HBy H 1 1.72 0.02 A 97 ARG HBx H 1 1.62 0.02 A 97 ARG HDx H 1 2.88 0.02 A 97 ARG HDy H 1 2.88 0.02 A 97 ARG HGy H 1 1.42 0.02 A 97 ARG HGx H 1 1.24 0.02 A 97 ARG C C 13 176.2 0.2 A 97 ARG CA C 13 56.4 0.2 A 97 ARG CB C 13 30.6 0.2 A 97 ARG CD C 13 43.0 0.2 A 97 ARG CG C 13 26.8 0.2 A 97 ARG N N 15 124.3 0.2 A 98 ASP H H 1 8.42 0.02 A 98 ASP HA H 1 4.59 0.02 A 98 ASP HBx H 1 2.74 0.02 A 98 ASP HBy H 1 2.74 0.02 A 98 ASP CA C 13 54.5 0.2 A 98 ASP CB C 13 40.9 0.2 A 98 ASP N N 15 120.2 0.2 A 99 ARG H H 1 8.24 0.02 A 99 ARG C C 13 176.3 0.2 A 99 ARG CA C 13 56.4 0.2 A 99 ARG CB C 13 30.8 0.2 A 99 ARG CD C 13 43.3 0.2 A 99 ARG CG C 13 26.9 0.2 A 99 ARG N N 15 121.1 0.2 A 100 GLU H H 1 8.50 0.02 A 100 GLU HA H 1 4.25 0.02 A 100 GLU HBx H 1 1.95 0.02 A 100 GLU HBy H 1 1.95 0.02 A 100 GLU HGx H 1 1.66 0.02 A 100 GLU HGy H 1 1.66 0.02 A 100 GLU CA C 13 56.6 0.2 A 100 GLU CB C 13 30.3 0.2 A 100 GLU N N 15 121.6 0.2 A 101 GLU HGy H 1 2.25 0.02 A 101 GLU HGx H 1 2.17 0.02 A 101 GLU C C 13 176.3 0.2 A 101 GLU CA C 13 56.6 0.2 A 101 GLU CB C 13 30.0 0.2 A 101 GLU CG C 13 36.1 0.2 A 102 HIS H H 1 8.44 0.02 A 102 HIS HA H 1 4.71 0.02 A 102 HIS HBy H 1 3.21 0.02 A 102 HIS HBx H 1 3.12 0.02 A 102 HIS HD2 H 1 7.10 0.02 A 102 HIS C C 13 174.9 0.2 A 102 HIS CA C 13 55.7 0.2 A 102 HIS CB C 13 30.4 0.2 A 102 HIS CD2 C 13 120.0 0.2 A 102 HIS N N 15 120.6 0.2 A 103 ALA H H 1 8.39 0.02 A 103 ALA HA H 1 4.38 0.02 A 103 ALA HB% H 1 1.43 0.02 A 103 ALA CA C 13 52.7 0.2 A 103 ALA CB C 13 19.3 0.2 A 103 ALA N N 15 125.8 0.2 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 7 PHE HA A 7 PHE HDy 1.0 1.8 3.65 2 2 A 8 LEU HBx A 8 LEU HDx% 1.0 1.8 4.23 3 3 A 8 LEU HDy% A 8 LEU HBx 1.0 1.8 4.23 4 4 A 8 LEU HBy A 8 LEU HDx% 1.0 1.8 4.23 5 5 A 8 LEU HBy A 8 LEU HDy% 1.0 1.8 4.23 6 6 A 8 LEU HA A 11 ILE HB 1.0 1.8 3.88 7 7 A 8 LEU HA A 11 ILE HG1y 1.0 1.8 4.70 8 8 A 8 LEU HA A 11 ILE HD1% 1.0 1.8 5.06 9 9 A 9 THR HB A 10 SER H 1.0 1.8 4.44 10 10 A 13 ALA HB% A 10 SER HBx 1.0 1.8 5.55 11 11 A 13 ALA HB% A 10 SER HBy 1.0 1.8 5.55 12 12 A 9 THR H A 9 THR HG2% 1.0 1.8 3.97 13 13 A 10 SER H A 9 THR HG2% 1.0 1.8 4.03 14 14 A 9 THR HG2% A 6 ARG HA 1.0 1.8 4.47 15 15 A 9 THR HG2% A 9 THR HA 1.0 1.8 3.25 16 16 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.54 17 17 A 11 ILE HA A 14 TRP HE3 1.0 1.8 3.96 18 18 A 8 LEU HA A 11 ILE HG1x 1.0 1.8 4.70 19 19 A 11 ILE HG2% A 11 ILE H 1.0 1.8 4.26 20 20 A 11 ILE HG2% A 14 TRP HZ3 1.0 1.8 4.21 21 21 A 11 ILE HG2% A 14 TRP HB3 1.0 1.8 4.65 22 22 A 11 ILE HD1% A 11 ILE H 1.0 1.8 4.18 23 23 A 11 ILE HD1% A 14 TRP HE3 1.0 1.8 4.46 24 24 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 3.48 25 25 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.95 26 26 A 11 ILE HD1% A 11 ILE HG2% 1.0 1.8 2.90 27 27 A 12 VAL HA A 15 LEU H 1.0 1.8 4.61 28 28 A 12 VAL HA A 15 LEU HB2 1.0 1.8 4.04 29 29 A 12 VAL HA A 12 VAL HG2% 1.0 1.8 3.31 30 30 A 12 VAL HA A 12 VAL HG1% 1.0 1.8 3.33 31 31 A 12 VAL HA A 15 LEU HG 1.0 1.8 3.44 32 32 A 9 THR HA A 12 VAL HB 1.0 1.8 4.08 33 33 A 9 THR HA A 12 VAL HG2% 1.0 1.8 4.11 34 34 A 12 VAL HG2% A 47 VAL HA 1.0 1.8 3.70 35 35 A 12 VAL HG2% A 50 GLU HGy 1.0 1.8 4.29 36 36 A 12 VAL HG2% A 47 VAL HB 1.0 1.8 4.16 37 37 A 12 VAL HG2% A 51 LEU HB2 1.0 1.8 4.06 38 38 A 12 VAL HG1% A 13 ALA HA 1.0 1.8 4.08 39 39 A 13 ALA HB% A 10 SER HA 1.0 1.8 3.35 40 40 A 81 ARG HA A 81 ARG HGy 1.0 1.8 3.91 41 41 A 81 ARG HA A 81 ARG HGx 1.0 1.8 3.91 42 42 A 14 TRP HB2 A 17 ALA HB% 1.0 1.8 5.20 43 43 A 14 TRP HB2 A 92 PRO HG2 1.0 1.8 5.21 44 44 A 14 TRP HB2 A 92 PRO HG3 1.0 1.8 4.72 45 45 A 14 TRP HB3 A 92 PRO HG3 1.0 1.8 4.88 46 46 A 13 ALA HB% A 14 TRP HB3 1.0 1.8 5.18 47 47 A 14 TRP HB3 A 17 ALA HB% 1.0 1.8 5.55 48 48 A 15 LEU HA A 18 GLY H 1.0 1.8 4.69 49 49 A 15 LEU HA A 14 TRP HD1 1.0 1.8 5.21 50 50 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 3.39 51 51 A 15 LEU HB2 A 16 ARG H 1.0 1.8 4.33 52 52 A 12 VAL HA A 15 LEU HB3 1.0 1.8 4.84 53 53 A 14 TRP HB3 A 15 LEU HG 1.0 1.8 5.28 54 54 A 15 LEU HG A 16 ARG H 1.0 1.8 5.55 55 55 A 14 TRP HD1 A 15 LEU HDy% 1.0 1.8 5.04 56 56 A 14 TRP HB3 A 15 LEU HDy% 1.0 1.8 3.83 57 57 A 15 LEU HB3 A 15 LEU HDx% 1.0 1.8 3.58 58 58 A 15 LEU HDy% A 15 LEU HB3 1.0 1.8 3.79 59 59 A 16 ARG HA A 19 TYR HB2 1.0 1.8 4.51 60 60 A 16 ARG HA A 51 LEU HDx% 1.0 1.8 5.52 61 61 A 16 ARG HA A 51 LEU HDy% 1.0 1.8 5.52 62 62 A 16 ARG HA A 16 ARG HD2 1.0 1.8 5.55 63 63 A 16 ARG HA A 16 ARG HD3 1.0 1.8 5.55 64 64 A 12 VAL HG1% A 16 ARG HD2 1.0 1.8 4.39 65 65 A 17 ALA HB% A 14 TRP HA 1.0 1.8 3.76 66 66 A 17 ALA HB% A 89 GLN HBy 1.0 1.8 4.63 67 67 A 17 ALA HB% A 18 GLY HAx 1.0 1.8 4.71 68 68 A 86 LEU HDx% A 18 GLY HAx 1.0 1.8 4.30 69 69 A 17 ALA H A 18 GLY HAx 1.0 1.8 5.44 70 70 A 17 ALA H A 18 GLY HAy 1.0 1.8 5.44 71 71 A 86 LEU HDx% A 18 GLY HAy 1.0 1.8 4.30 72 72 A 17 ALA HB% A 18 GLY HAy 1.0 1.8 4.71 73 73 A 19 TYR HB3 A 23 ILE HA 1.0 1.8 4.98 74 74 A 19 TYR H A 20 PRO HDy 1.0 1.8 4.79 75 75 A 19 TYR H A 20 PRO HDx 1.0 1.8 4.79 76 76 A 21 GLU HA A 21 GLU HGx 1.0 1.8 3.97 77 77 A 21 GLU HA A 21 GLU HGy 1.0 1.8 3.97 78 78 A 26 THR H A 26 THR HG2% 1.0 1.8 4.44 79 79 A 26 THR HG2% A 27 ASP H 1.0 1.8 4.95 80 80 A 26 THR HG2% A 26 THR HA 1.0 1.8 3.25 81 81 A 24 PRO HG2 A 27 ASP HBy 1.0 1.8 4.95 82 82 A 23 ILE HG2% A 27 ASP HBx 1.0 1.8 4.41 83 83 A 24 PRO HG2 A 27 ASP HBx 1.0 1.8 4.95 84 84 A 29 PHE H A 28 SER HBx 1.0 1.8 4.49 85 85 A 31 VAL HB A 28 SER HBy 1.0 1.8 5.55 86 86 A 31 VAL HB A 28 SER HBx 1.0 1.8 5.55 87 87 A 60 ILE HD1% A 28 SER HBx 1.0 1.8 4.41 88 88 A 30 ALA H A 29 PHE HBx 1.0 1.8 4.69 89 89 A 74 PRO HB3 A 29 PHE HBx 1.0 1.8 4.88 90 90 A 74 PRO HB3 A 30 ALA HA 1.0 1.8 4.45 91 91 A 30 ALA HA A 33 ALA H 1.0 1.8 4.49 92 92 A 30 ALA H A 30 ALA HB% 1.0 1.8 3.41 93 93 A 30 ALA HB% A 79 VAL HA 1.0 1.8 3.39 94 94 A 30 ALA HB% A 78 ASP HBx 1.0 1.8 4.08 95 95 A 30 ALA HB% A 82 VAL HB 1.0 1.8 3.86 96 96 A 30 ALA HB% A 74 PRO HB2 1.0 1.8 4.28 97 97 A 30 ALA HB% A 82 VAL HG1% 1.0 1.8 3.12 98 98 A 31 VAL HA A 34 LEU HB3 1.0 1.8 4.67 99 99 A 31 VAL HA A 31 VAL HG2% 1.0 1.8 3.24 100 100 A 31 VAL HA A 82 VAL HG2% 1.0 1.8 3.66 101 101 A 31 VAL HA A 31 VAL HG1% 1.0 1.8 3.47 102 102 A 31 VAL HB A 82 VAL HG2% 1.0 1.8 4.40 103 103 A 31 VAL HG2% A 19 TYR HEx 1.0 1.8 4.07 104 104 A 31 VAL HG2% A 19 TYR HDx 1.0 1.8 4.89 105 105 A 31 VAL HG2% A 86 LEU HG 1.0 1.8 4.29 106 106 A 31 VAL HG2% A 86 LEU HDy% 1.0 1.8 4.01 107 107 A 86 LEU HDx% A 31 VAL HG1% 1.0 1.8 5.02 108 108 A 31 VAL HG1% A 86 LEU HDy% 1.0 1.8 5.37 109 109 A 31 VAL HG1% A 32 LEU HA 1.0 1.8 3.87 110 110 A 32 LEU HA A 32 LEU HG 1.0 1.8 4.30 111 111 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 3.47 112 112 A 74 PRO HB3 A 32 LEU HDy% 1.0 1.8 4.20 113 113 A 32 LEU HG A 69 PHE HEy 1.0 1.8 4.83 114 114 A 32 LEU HG A 29 PHE HA 1.0 1.8 4.49 115 115 A 32 LEU HG A 74 PRO HG3 1.0 1.8 4.08 116 116 A 69 PHE HEy A 33 ALA HA 1.0 1.8 4.29 117 117 A 33 ALA HA A 36 CYS HB2 1.0 1.8 4.53 118 118 A 33 ALA HA A 36 CYS HB3 1.0 1.8 4.69 119 119 A 69 PHE HEy A 33 ALA HB% 1.0 1.8 4.58 120 120 A 30 ALA HA A 33 ALA HB% 1.0 1.8 3.25 121 121 A 33 ALA HB% A 74 PRO HDy 1.0 1.8 4.19 122 122 A 33 ALA HB% A 74 PRO HDx 1.0 1.8 4.19 123 123 A 74 PRO HG3 A 33 ALA HB% 1.0 1.8 3.29 124 124 A 82 VAL HG1% A 34 LEU HB2 1.0 1.8 3.44 125 125 A 82 VAL HG1% A 34 LEU HB3 1.0 1.8 4.30 126 126 A 34 LEU HB3 A 34 LEU H 1.0 1.8 3.96 127 127 A 34 LEU HA A 34 LEU HG 1.0 1.8 3.88 128 128 A 34 LEU H A 34 LEU HG 1.0 1.8 4.79 129 129 A 34 LEU HG A 91 TRP HZ2 1.0 1.8 4.36 130 130 A 34 LEU HG A 91 TRP HH2 1.0 1.8 4.05 131 131 A 31 VAL HA A 34 LEU HG 1.0 1.8 5.55 132 132 A 34 LEU HB3 A 35 LEU HA 1.0 1.8 4.06 133 133 A 35 LEU HA A 35 LEU HG 1.0 1.8 4.03 134 134 A 37 ARG HA A 37 ARG HGy 1.0 1.8 3.70 135 135 A 37 ARG HA A 37 ARG HGx 1.0 1.8 3.70 136 136 A 36 CYS HB3 A 37 ARG HA 1.0 1.8 4.53 137 137 A 36 CYS HB3 A 37 ARG HGx 1.0 1.8 4.48 138 138 A 36 CYS HB3 A 37 ARG HGy 1.0 1.8 4.48 139 139 A 37 ARG H A 37 ARG HGy 1.0 1.8 4.05 140 140 A 43 GLU HA A 44 VAL HA 1.0 1.8 4.98 141 141 A 38 ARG HBy A 39 LEU HDx% 1.0 1.8 5.55 142 142 A 39 LEU HDy% A 38 ARG HBy 1.0 1.8 5.55 143 143 A 38 ARG HBy A 93 LEU HDx% 1.0 1.8 5.22 144 144 A 93 LEU HDy% A 38 ARG HBy 1.0 1.8 5.22 145 145 A 38 ARG HBx A 93 LEU HDx% 1.0 1.8 5.22 146 146 A 38 ARG HBx A 39 LEU HDx% 1.0 1.8 5.55 147 147 A 38 ARG HBx A 39 LEU HDy% 1.0 1.8 5.55 148 148 A 39 LEU HG A 38 ARG HGx 1.0 1.8 4.37 149 149 A 39 LEU HG A 38 ARG HGy 1.0 1.8 4.37 150 150 A 38 ARG HA A 38 ARG HDx 1.0 1.8 4.66 151 151 A 38 ARG HA A 38 ARG HDy 1.0 1.8 4.66 152 152 A 39 LEU HG A 39 LEU H 1.0 1.8 4.42 153 153 A 42 ASP H A 42 ASP HBy 1.0 1.8 4.12 154 154 A 40 SER H A 43 GLU HBx 1.0 1.8 4.62 155 155 A 43 GLU HA A 43 GLU HGy 1.0 1.8 4.06 156 156 A 43 GLU HA A 43 GLU HGx 1.0 1.8 4.06 157 157 A 43 GLU HA A 44 VAL HG2% 1.0 1.8 5.11 158 158 A 44 VAL H A 44 VAL HG1% 1.0 1.8 3.51 159 159 A 44 VAL HG1% A 36 CYS H 1.0 1.8 4.76 160 160 A 44 VAL HG1% A 36 CYS HA 1.0 1.8 3.75 161 161 A 44 VAL HG1% A 41 HIS HA 1.0 1.8 4.28 162 162 A 35 LEU HA A 44 VAL HG1% 1.0 1.8 4.63 163 163 A 44 VAL HA A 44 VAL HG1% 1.0 1.8 3.50 164 164 A 44 VAL HG1% A 35 LEU HBy 1.0 1.8 3.79 165 165 A 44 VAL HG1% A 39 LEU HBy 1.0 1.8 4.02 166 166 A 44 VAL HG1% A 39 LEU HBx 1.0 1.8 4.02 167 167 A 44 VAL HG1% A 35 LEU HBx 1.0 1.8 3.79 168 168 A 44 VAL HG2% A 45 LYS H 1.0 1.8 4.31 169 169 A 45 LYS H A 45 LYS HB2 1.0 1.8 4.15 170 170 A 45 LYS HB2 A 46 ALA H 1.0 1.8 4.38 171 171 A 45 LYS HB2 A 42 ASP HA 1.0 1.8 4.03 172 172 A 42 ASP HA A 45 LYS HB3 1.0 1.8 4.61 173 173 A 45 LYS HB2 A 67 THR HG2% 1.0 1.8 3.99 174 174 A 45 LYS HB3 A 67 THR HG2% 1.0 1.8 5.13 175 175 A 45 LYS HB3 A 46 ALA HB% 1.0 1.8 4.30 176 176 A 45 LYS HA A 48 ALA H 1.0 1.8 4.32 177 177 A 45 LYS HA A 48 ALA HB% 1.0 1.8 3.94 178 178 A 44 VAL HG2% A 45 LYS HA 1.0 1.8 5.18 179 179 A 45 LYS HA A 62 ILE HG2% 1.0 1.8 4.10 180 180 A 45 LYS H A 45 LYS HGx 1.0 1.8 5.24 181 181 A 45 LYS H A 45 LYS HGy 1.0 1.8 5.24 182 182 A 46 ALA HA A 49 ASN H 1.0 1.8 4.34 183 183 A 46 ALA HA A 49 ASN HBy 1.0 1.8 4.08 184 184 A 46 ALA HA A 49 ASN HBx 1.0 1.8 4.08 185 185 A 45 LYS HB3 A 46 ALA HA 1.0 1.8 4.84 186 186 A 13 ALA HB% A 13 ALA H 1.0 1.8 3.02 187 187 A 46 ALA HB% A 47 VAL H 1.0 1.8 3.52 188 188 A 47 VAL HA A 46 ALA H 1.0 1.8 5.55 189 189 A 47 VAL HA A 51 LEU HB2 1.0 1.8 4.56 190 190 A 47 VAL HB A 48 ALA H 1.0 1.8 4.04 191 191 A 47 VAL HB A 47 VAL H 1.0 1.8 3.61 192 192 A 48 ALA H A 47 VAL HGx% 1.0 1.8 4.46 193 193 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 3.50 194 194 A 51 LEU HB2 A 47 VAL HGx% 1.0 1.8 4.86 195 195 A 47 VAL HA A 47 VAL HGy% 1.0 1.8 3.50 196 196 A 51 LEU HB2 A 47 VAL HGy% 1.0 1.8 4.86 197 197 A 51 LEU HB2 A 48 ALA HA 1.0 1.8 3.98 198 198 A 48 ALA H A 48 ALA HB% 1.0 1.8 3.20 199 199 A 48 ALA HB% A 57 PHE HEy 1.0 1.8 4.59 200 200 A 48 ALA HB% A 57 PHE HDy 1.0 1.8 5.55 201 201 A 48 ALA HB% A 47 VAL H 1.0 1.8 4.99 202 202 A 48 ALA HB% A 62 ILE HB 1.0 1.8 4.25 203 203 A 50 GLU H A 49 ASN HBx 1.0 1.8 4.70 204 204 A 49 ASN H A 49 ASN HBx 1.0 1.8 3.83 205 205 A 50 GLU H A 50 GLU HGy 1.0 1.8 4.82 206 206 A 12 VAL HG2% A 50 GLU HGx 1.0 1.8 4.29 207 207 A 50 GLU H A 50 GLU HGx 1.0 1.8 4.82 208 208 A 12 VAL HG2% A 50 GLU HBy 1.0 1.8 5.55 209 209 A 12 VAL HG2% A 50 GLU HBx 1.0 1.8 5.55 210 210 A 51 LEU HA A 50 GLU HGx 1.0 1.8 4.74 211 211 A 51 LEU H A 51 LEU HG 1.0 1.8 4.68 212 212 A 51 LEU HG A 52 MET H 1.0 1.8 5.21 213 213 A 57 PHE HDy A 51 LEU HG 1.0 1.8 4.78 214 214 A 57 PHE HEy A 51 LEU HG 1.0 1.8 4.67 215 215 A 48 ALA HA A 51 LEU HG 1.0 1.8 5.11 216 216 A 51 LEU H A 51 LEU HDx% 1.0 1.8 5.02 217 217 A 51 LEU H A 51 LEU HDy% 1.0 1.8 5.02 218 218 A 51 LEU HB2 A 51 LEU HDx% 1.0 1.8 3.85 219 219 A 51 LEU HB2 A 51 LEU HDy% 1.0 1.8 3.85 220 220 A 53 ARG H A 52 MET HBx 1.0 1.8 4.81 221 221 A 57 PHE HDy A 52 MET HGx 1.0 1.8 4.88 222 222 A 57 PHE HDy A 52 MET HGy 1.0 1.8 4.83 223 223 A 52 MET HGx A 52 MET HA 1.0 1.8 4.04 224 224 A 54 LEU H A 53 ARG HBx 1.0 1.8 4.60 225 225 A 53 ARG H A 53 ARG HBx 1.0 1.8 4.00 226 226 A 50 GLU HA A 53 ARG HBx 1.0 1.8 5.04 227 227 A 50 GLU HA A 53 ARG HBy 1.0 1.8 5.04 228 228 A 85 ARG HA A 85 ARG HDy 1.0 1.8 4.69 229 229 A 85 ARG HA A 85 ARG HDx 1.0 1.8 4.69 230 230 A 54 LEU HBy A 54 LEU HDx% 1.0 1.8 4.07 231 231 A 54 LEU HBy A 54 LEU HDy% 1.0 1.8 4.07 232 232 A 54 LEU HBx A 54 LEU HDx% 1.0 1.8 4.07 233 233 A 54 LEU HDy% A 54 LEU HBx 1.0 1.8 4.07 234 234 A 54 LEU HA A 54 LEU HDx% 1.0 1.8 4.34 235 235 A 54 LEU HA A 54 LEU HDy% 1.0 1.8 4.34 236 236 A 54 LEU H A 54 LEU HG 1.0 1.8 4.70 237 237 A 60 ILE HD1% A 60 ILE HA 1.0 1.8 4.50 238 238 A 60 ILE HD1% A 28 SER HBy 1.0 1.8 4.41 239 239 A 60 ILE HD1% A 60 ILE HB 1.0 1.8 3.66 240 240 A 60 ILE HA A 60 ILE HG2% 1.0 1.8 3.43 241 241 A 60 ILE H A 60 ILE HG1y 1.0 1.8 4.32 242 242 A 60 ILE HG2% A 60 ILE H 1.0 1.8 4.25 243 243 A 60 ILE HG2% A 61 ASP H 1.0 1.8 4.64 244 244 A 60 ILE HG2% A 57 PHE HEx 1.0 1.8 5.55 245 245 A 60 ILE HG2% A 52 MET HE% 1.0 1.8 5.12 246 246 A 64 VAL HB A 61 ASP HBx 1.0 1.8 4.49 247 247 A 64 VAL HB A 61 ASP HBy 1.0 1.8 4.49 248 248 A 62 ILE HG2% A 62 ILE HA 1.0 1.8 3.67 249 249 A 62 ILE H A 62 ILE HD1% 1.0 1.8 4.71 250 250 A 57 PHE HEx A 62 ILE HD1% 1.0 1.8 4.67 251 251 A 62 ILE HA A 62 ILE HD1% 1.0 1.8 3.92 252 252 A 60 ILE HB A 62 ILE HD1% 1.0 1.8 4.83 253 253 A 48 ALA HB% A 62 ILE HD1% 1.0 1.8 4.36 254 254 A 60 ILE HD1% A 62 ILE HD1% 1.0 1.8 3.45 255 255 A 64 VAL HA A 64 VAL HGx% 1.0 1.8 3.49 256 256 A 64 VAL HA A 64 VAL HGy% 1.0 1.8 3.49 257 257 A 65 VAL H A 64 VAL HGx% 1.0 1.8 4.48 258 258 A 65 VAL H A 64 VAL HGy% 1.0 1.8 4.48 259 259 A 62 ILE HA A 65 VAL HB 1.0 1.8 4.32 260 260 A 65 VAL HB A 66 ILE HG2% 1.0 1.8 4.48 261 261 A 65 VAL HA A 65 VAL HGx% 1.0 1.8 3.66 262 262 A 65 VAL H A 65 VAL HGy% 1.0 1.8 4.14 263 263 A 65 VAL HA A 65 VAL HGy% 1.0 1.8 3.66 264 264 A 66 ILE HB A 67 THR H 1.0 1.8 4.92 265 265 A 66 ILE HA A 68 HIS H 1.0 1.8 4.54 266 266 A 66 ILE HG2% A 66 ILE HA 1.0 1.8 3.55 267 267 A 67 THR H A 67 THR HB 1.0 1.8 4.12 268 268 A 67 THR HG2% A 67 THR HA 1.0 1.8 3.15 269 269 A 68 HIS H A 69 PHE HA 1.0 1.8 4.54 270 270 A 70 THR HG2% A 71 ASP H 1.0 1.8 4.63 271 271 A 70 THR HG2% A 70 THR HA 1.0 1.8 3.35 272 272 A 72 GLU H A 72 GLU HGx 1.0 1.8 5.30 273 273 A 72 GLU H A 72 GLU HGy 1.0 1.8 5.30 274 274 A 74 PRO HB3 A 33 ALA HB% 1.0 1.8 4.30 275 275 A 74 PRO HB3 A 29 PHE HBy 1.0 1.8 4.88 276 276 A 30 ALA HA A 74 PRO HG2 1.0 1.8 4.96 277 277 A 30 ALA HA A 74 PRO HG3 1.0 1.8 5.12 278 278 A 69 PHE HDy A 74 PRO HDy 1.0 1.8 4.67 279 279 A 75 SER H A 75 SER HBy 1.0 1.8 4.06 280 280 A 76 PRO HBx A 77 GLU H 1.0 1.8 4.43 281 281 A 75 SER HA A 76 PRO HDx 1.0 1.8 3.89 282 282 A 75 SER HA A 76 PRO HDy 1.0 1.8 3.89 283 283 A 77 GLU HA A 77 GLU HGx 1.0 1.8 3.78 284 284 A 77 GLU HA A 80 GLU HBx 1.0 1.8 4.25 285 285 A 77 GLU H A 77 GLU HGy 1.0 1.8 4.69 286 286 A 77 GLU H A 77 GLU HGx 1.0 1.8 4.69 287 287 A 77 GLU HA A 77 GLU HGy 1.0 1.8 3.78 288 288 A 75 SER H A 78 ASP HBx 1.0 1.8 4.97 289 289 A 30 ALA HB% A 78 ASP HBy 1.0 1.8 4.08 290 290 A 79 VAL HA A 81 ARG H 1.0 1.8 4.83 291 291 A 79 VAL HA A 82 VAL HB 1.0 1.8 4.42 292 292 A 79 VAL HA A 82 VAL HG1% 1.0 1.8 3.74 293 293 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 3.47 294 294 A 79 VAL HA A 79 VAL HGx% 1.0 1.8 3.47 295 295 A 80 GLU HA A 83 ARG HBy 1.0 1.8 3.92 296 296 A 80 GLU HA A 83 ARG HBx 1.0 1.8 3.92 297 297 A 77 GLU HA A 80 GLU HBy 1.0 1.8 4.25 298 298 A 80 GLU H A 80 GLU HGx 1.0 1.8 4.75 299 299 A 51 LEU HA A 50 GLU HGy 1.0 1.8 4.74 300 300 A 78 ASP HA A 81 ARG HBy 1.0 1.8 4.41 301 301 A 78 ASP HA A 81 ARG HBx 1.0 1.8 4.41 302 302 A 82 VAL HA A 85 ARG HBx 1.0 1.8 4.54 303 303 A 82 VAL HA A 85 ARG HBy 1.0 1.8 4.54 304 304 A 82 VAL HG1% A 82 VAL HA 1.0 1.8 3.29 305 305 A 82 VAL HB A 83 ARG H 1.0 1.8 4.59 306 306 A 82 VAL HB A 31 VAL HA 1.0 1.8 5.12 307 307 A 82 VAL HG1% A 83 ARG HBy 1.0 1.8 4.28 308 308 A 82 VAL HG1% A 83 ARG HBx 1.0 1.8 4.28 309 309 A 83 ARG HA A 91 TRP HZ3 1.0 1.8 4.19 310 310 A 83 ARG HA A 86 LEU H 1.0 1.8 4.32 311 311 A 83 ARG HA A 83 ARG HGy 1.0 1.8 4.27 312 312 A 86 LEU HG A 83 ARG HA 1.0 1.8 5.05 313 313 A 83 ARG HA A 83 ARG HGx 1.0 1.8 4.27 314 314 A 53 ARG HA A 53 ARG HGy 1.0 1.8 4.15 315 315 A 86 LEU HA A 89 GLN HE2y 1.0 1.8 4.98 316 316 A 86 LEU HG A 86 LEU HA 1.0 1.8 4.18 317 317 A 86 LEU HDx% A 86 LEU HA 1.0 1.8 3.52 318 318 A 86 LEU HDy% A 86 LEU HA 1.0 1.8 3.83 319 319 A 19 TYR HEx A 86 LEU HG 1.0 1.8 4.54 320 320 A 86 LEU HG A 14 TRP HH2 1.0 1.8 5.30 321 321 A 82 VAL HG2% A 86 LEU HG 1.0 1.8 3.29 322 322 A 86 LEU HDy% A 86 LEU H 1.0 1.8 4.58 323 323 A 14 TRP HD1 A 86 LEU HDx% 1.0 1.8 3.91 324 324 A 15 LEU HA A 86 LEU HDx% 1.0 1.8 3.65 325 325 A 87 ALA H A 87 ALA HB% 1.0 1.8 3.18 326 326 A 87 ALA HB% A 88 ALA H 1.0 1.8 3.87 327 327 A 89 GLN HE2y A 88 ALA HB% 1.0 1.8 4.14 328 328 A 17 ALA HB% A 89 GLN HBx 1.0 1.8 4.63 329 329 A 89 GLN HA A 89 GLN HGx 1.0 1.8 4.23 330 330 A 89 GLN HA A 89 GLN HGy 1.0 1.8 4.23 331 331 A 17 ALA HB% A 89 GLN HGx 1.0 1.8 3.87 332 332 A 17 ALA HB% A 89 GLN HGy 1.0 1.8 3.87 333 333 A 93 LEU HDy% A 38 ARG HBx 1.0 1.8 5.22 334 334 A 35 LEU HA A 93 LEU HDx% 1.0 1.8 5.15 335 335 A 35 LEU HA A 93 LEU HDy% 1.0 1.8 5.15 336 336 A 14 TRP HZ3 A 93 LEU HDx% 1.0 1.8 5.35 337 337 A 14 TRP HZ3 A 93 LEU HDy% 1.0 1.8 5.35 338 338 A 91 TRP HD1 A 93 LEU HDx% 1.0 1.8 5.55 339 339 A 91 TRP HD1 A 93 LEU HDy% 1.0 1.8 5.55 340 340 A 96 VAL HA A 96 VAL HGx% 1.0 1.8 3.60 341 341 A 96 VAL HA A 96 VAL HGy% 1.0 1.8 3.60 342 342 A 97 ARG HA A 97 ARG HDx 1.0 1.8 5.55 343 343 A 97 ARG HA A 97 ARG HDy 1.0 1.8 5.55 344 344 A 97 ARG H A 97 ARG HBy 1.0 1.8 4.10 345 345 A 98 ASP H A 97 ARG HBx 1.0 1.8 4.64 346 346 A 99 ARG H A 100 GLU HA 1.0 1.8 4.28 347 347 A 41 HIS HA A 66 ILE HD1% 1.0 1.8 4.17 348 348 A 66 ILE HD1% A 41 HIS HBy 1.0 1.8 4.74 349 349 A 66 ILE HD1% A 41 HIS HBx 1.0 1.8 4.74 350 350 A 66 ILE HD1% A 44 VAL HB 1.0 1.8 4.80 351 351 A 66 ILE HB A 66 ILE HD1% 1.0 1.8 3.64 352 352 A 23 ILE H A 23 ILE HD1% 1.0 1.8 4.48 353 353 A 57 PHE HDy A 23 ILE HD1% 1.0 1.8 3.88 354 354 A 57 PHE HEy A 23 ILE HD1% 1.0 1.8 3.95 355 355 A 23 ILE HA A 23 ILE HD1% 1.0 1.8 4.24 356 356 A 23 ILE HD1% A 23 ILE HB 1.0 1.8 3.73 357 357 A 23 ILE HG2% A 23 ILE HD1% 1.0 1.8 3.21 358 358 A 23 ILE HA A 23 ILE HG1x 1.0 1.8 4.19 359 359 A 23 ILE HA A 24 PRO HD3 1.0 1.8 3.40 360 360 A 23 ILE HG2% A 23 ILE H 1.0 1.8 4.96 361 361 A 23 ILE HG2% A 19 TYR HEx 1.0 1.8 5.55 362 362 A 23 ILE HG2% A 19 TYR HEy 1.0 1.8 5.55 363 363 A 23 ILE HG2% A 24 PRO HD3 1.0 1.8 4.50 364 364 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 3.45 365 365 A 23 ILE HG2% A 27 ASP HBy 1.0 1.8 4.41 366 366 A 23 ILE HG2% A 31 VAL HG2% 1.0 1.8 3.54 367 367 A 23 ILE HG2% A 23 ILE HG1x 1.0 1.8 4.07 368 368 A 66 ILE HG2% A 68 HIS H 1.0 1.8 5.22 369 369 A 66 ILE HG2% A 67 THR H 1.0 1.8 4.17 370 370 A 66 ILE HG2% A 65 VAL HA 1.0 1.8 5.22 371 371 A 66 ILE HG2% A 32 LEU HB2 1.0 1.8 4.54 372 372 A 66 ILE HG2% A 32 LEU HB3 1.0 1.8 4.54 373 373 A 66 ILE HG2% A 66 ILE HD1% 1.0 1.8 3.39 374 374 A 52 MET H A 52 MET HE% 1.0 1.8 5.04 375 375 A 52 MET HE% A 62 ILE H 1.0 1.8 4.27 376 376 A 60 ILE H A 52 MET HE% 1.0 1.8 3.76 377 377 A 57 PHE HDy A 52 MET HE% 1.0 1.8 5.03 378 378 A 52 MET HA A 52 MET HE% 1.0 1.8 5.16 379 379 A 52 MET HE% A 59 GLN HA 1.0 1.8 5.55 380 380 A 52 MET HGx A 52 MET HE% 1.0 1.8 3.49 381 381 A 52 MET HGy A 52 MET HE% 1.0 1.8 3.68 382 382 A 52 MET HE% A 62 ILE HG1y 1.0 1.8 3.63 383 383 A 52 MET HE% A 62 ILE HG1x 1.0 1.8 3.63 384 384 A 48 ALA HB% A 52 MET HE% 1.0 1.8 3.58 385 385 A 60 ILE HD1% A 52 MET HE% 1.0 1.8 4.01 386 386 A 52 MET HE% A 62 ILE HD1% 1.0 1.8 3.54 387 387 A 4 MET HA A 4 MET HE% 1.0 1.8 4.31 388 388 A 4 MET HBx A 5 ASN H 1.0 1.8 5.55 389 389 A 5 ASN H A 4 MET HBy 1.0 1.8 5.55 390 390 A 23 ILE HA A 23 ILE HG1y 1.0 1.8 4.19 391 391 A 23 ILE HG2% A 23 ILE HG1y 1.0 1.8 4.07 392 392 A 24 PRO HD3 A 19 TYR HDy 1.0 1.8 3.98 393 393 A 23 ILE HA A 24 PRO HD2 1.0 1.8 3.65 394 394 A 23 ILE HG2% A 24 PRO HD2 1.0 1.8 3.91 395 395 A 41 HIS HA A 44 VAL HB 1.0 1.8 4.84 396 396 A 10 SER H A 6 ARG HA 1.0 1.8 4.68 397 397 A 9 THR HB A 6 ARG HA 1.0 1.8 3.49 398 398 A 6 ARG HA A 6 ARG HDx 1.0 1.8 5.25 399 399 A 6 ARG HA A 6 ARG HDy 1.0 1.8 5.25 400 400 A 6 ARG HA A 6 ARG HGy 1.0 1.8 4.08 401 401 A 6 ARG HA A 6 ARG HGx 1.0 1.8 4.08 402 402 A 12 VAL HG1% A 12 VAL H 1.0 1.8 4.23 403 403 A 12 VAL HG1% A 16 ARG H 1.0 1.8 4.54 404 404 A 12 VAL HG1% A 51 LEU HA 1.0 1.8 4.70 405 405 A 12 VAL HG1% A 16 ARG HD3 1.0 1.8 4.39 406 406 A 39 LEU H A 39 LEU HDx% 1.0 1.8 5.08 407 407 A 82 VAL HG2% A 83 ARG H 1.0 1.8 4.78 408 408 A 82 VAL HG2% A 31 VAL H 1.0 1.8 4.68 409 409 A 82 VAL HG2% A 82 VAL H 1.0 1.8 3.95 410 410 A 82 VAL HG2% A 82 VAL HA 1.0 1.8 3.59 411 411 A 82 VAL HG2% A 86 LEU HDy% 1.0 1.8 4.27 412 412 A 82 VAL HG1% A 31 VAL H 1.0 1.8 4.60 413 413 A 82 VAL HG1% A 19 TYR HEx 1.0 1.8 4.92 414 414 A 82 VAL HG1% A 31 VAL HA 1.0 1.8 3.74 415 415 A 82 VAL HG1% A 86 LEU HG 1.0 1.8 4.66 416 416 A 82 VAL HG1% A 86 LEU HDy% 1.0 1.8 4.72 417 417 A 53 ARG HA A 53 ARG HGx 1.0 1.8 4.15 418 418 A 91 TRP HA A 92 PRO HDy 1.0 1.8 3.97 419 419 A 91 TRP HA A 92 PRO HDx 1.0 1.8 3.97 420 420 A 11 ILE HD1% A 92 PRO HG2 1.0 1.8 4.51 421 421 A 11 ILE HD1% A 92 PRO HG3 1.0 1.8 4.58 422 422 A 24 PRO HA A 25 PRO HD2 1.0 1.8 3.39 423 423 A 24 PRO HA A 25 PRO HD3 1.0 1.8 3.58 424 424 A 23 ILE HA A 24 PRO HG3 1.0 1.8 4.72 425 425 A 23 ILE HG2% A 24 PRO HG3 1.0 1.8 5.55 426 426 A 24 PRO HG2 A 23 ILE HG2% 1.0 1.8 4.72 427 427 A 19 TYR HDy A 24 PRO HG3 1.0 1.8 4.90 428 428 A 73 LEU HA A 74 PRO HA 1.0 1.8 3.41 429 429 A 19 TYR HDy A 19 TYR HA 1.0 1.8 4.16 430 430 A 19 TYR HA A 20 PRO HG2 1.0 1.8 5.08 431 431 A 19 TYR HA A 20 PRO HG3 1.0 1.8 5.55 432 432 A 14 TRP HZ2 A 91 TRP HE3 1.0 1.8 3.72 433 433 A 14 TRP HZ2 A 86 LEU HB2 1.0 1.8 3.93 434 434 A 14 TRP HZ2 A 86 LEU HB3 1.0 1.8 3.93 435 435 A 86 LEU HG A 14 TRP HZ2 1.0 1.8 4.06 436 436 A 34 LEU HB2 A 91 TRP HZ2 1.0 1.8 5.55 437 437 A 14 TRP HD1 A 14 TRP HA 1.0 1.8 4.39 438 438 A 14 TRP HD1 A 14 TRP H 1.0 1.8 5.06 439 439 A 14 TRP HB2 A 14 TRP HD1 1.0 1.8 3.92 440 440 A 14 TRP HD1 A 89 GLN HBy 1.0 1.8 3.91 441 441 A 14 TRP HD1 A 89 GLN HBx 1.0 1.8 3.91 442 442 A 17 ALA HB% A 14 TRP HD1 1.0 1.8 4.04 443 443 A 92 PRO HG3 A 14 TRP HD1 1.0 1.8 5.37 444 444 A 69 PHE HA A 69 PHE HDx 1.0 1.8 4.72 445 445 A 69 PHE HA A 69 PHE HDy 1.0 1.8 4.87 446 446 A 69 PHE HDy A 74 PRO HDx 1.0 1.8 4.67 447 447 A 74 PRO HG2 A 69 PHE HDy 1.0 1.8 5.55 448 448 A 74 PRO HG3 A 69 PHE HDy 1.0 1.8 5.55 449 449 A 33 ALA HB% A 69 PHE HDy 1.0 1.8 5.36 450 450 A 69 PHE HEy A 74 PRO HG3 1.0 1.8 4.47 451 451 A 32 LEU HDx% A 69 PHE HEy 1.0 1.8 4.10 452 452 A 29 PHE HEx A 65 VAL HGx% 1.0 1.8 4.34 453 453 A 29 PHE HEy A 65 VAL HGx% 1.0 1.8 4.72 454 454 A 29 PHE HEx A 65 VAL HGy% 1.0 1.8 4.34 455 455 A 29 PHE HEy A 65 VAL HGy% 1.0 1.8 4.72 456 456 A 29 PHE HA A 29 PHE HDx 1.0 1.8 5.03 457 457 A 29 PHE HA A 29 PHE HDy 1.0 1.8 5.46 458 458 A 29 PHE HDx A 65 VAL HGx% 1.0 1.8 4.09 459 459 A 29 PHE HDy A 65 VAL HGx% 1.0 1.8 4.44 460 460 A 29 PHE HDx A 65 VAL HGy% 1.0 1.8 4.09 461 461 A 29 PHE HDy A 65 VAL HGy% 1.0 1.8 4.44 462 462 A 11 ILE HD1% A 7 PHE HEx 1.0 1.8 4.24 463 463 A 11 ILE HD1% A 7 PHE HEy 1.0 1.8 4.73 464 464 A 7 PHE HDx A 8 LEU HG 1.0 1.8 4.47 465 465 A 52 MET HGx A 57 PHE HDx 1.0 1.8 3.66 466 466 A 52 MET HE% A 57 PHE HDx 1.0 1.8 4.35 467 467 A 23 ILE HB A 57 PHE HDx 1.0 1.8 4.43 468 468 A 60 ILE HD1% A 57 PHE HDx 1.0 1.8 3.85 469 469 A 23 ILE HD1% A 57 PHE HDx 1.0 1.8 4.49 470 470 A 23 ILE HG2% A 57 PHE HDx 1.0 1.8 4.58 471 471 A 57 PHE HEy A 52 MET HGy 1.0 1.8 4.57 472 472 A 57 PHE HEx A 52 MET HE% 1.0 1.8 4.06 473 473 A 57 PHE HEy A 52 MET HE% 1.0 1.8 4.67 474 474 A 51 LEU HB2 A 57 PHE HEy 1.0 1.8 4.96 475 475 A 60 ILE HD1% A 57 PHE HEx 1.0 1.8 3.76 476 476 A 23 ILE HG2% A 57 PHE HEx 1.0 1.8 4.10 477 477 A 14 TRP HE3 A 14 TRP HB3 1.0 1.8 3.84 478 478 A 14 TRP HE3 A 14 TRP HB2 1.0 1.8 4.21 479 479 A 11 ILE HG2% A 14 TRP HE3 1.0 1.8 3.35 480 480 A 14 TRP HE3 A 15 LEU HDy% 1.0 1.8 3.96 481 481 A 11 ILE HA A 14 TRP HZ3 1.0 1.8 5.45 482 482 A 14 TRP HZ3 A 15 LEU HDy% 1.0 1.8 3.86 483 483 A 11 ILE HD1% A 14 TRP HZ3 1.0 1.8 4.69 484 484 A 92 PRO HG2 A 14 TRP HH2 1.0 1.8 5.06 485 485 A 14 TRP HH2 A 93 LEU HDx% 1.0 1.8 4.19 486 486 A 14 TRP HH2 A 93 LEU HDy% 1.0 1.8 4.19 487 487 A 91 TRP HH2 A 83 ARG HA 1.0 1.8 4.21 488 488 A 82 VAL HG1% A 91 TRP HH2 1.0 1.8 4.23 489 489 A 82 VAL HG1% A 91 TRP HZ3 1.0 1.8 4.93 490 490 A 91 TRP HZ3 A 87 ALA HB% 1.0 1.8 4.01 491 491 A 91 TRP HZ3 A 87 ALA HA 1.0 1.8 4.84 492 492 A 91 TRP HE3 A 87 ALA HA 1.0 1.8 4.35 493 493 A 87 ALA HB% A 91 TRP HE3 1.0 1.8 3.89 494 494 A 24 PRO HD3 A 19 TYR HEy 1.0 1.8 4.37 495 495 A 19 TYR HEy A 24 PRO HD2 1.0 1.8 3.76 496 496 A 19 TYR HB3 A 19 TYR HEy 1.0 1.8 4.78 497 497 A 19 TYR HEy A 24 PRO HG3 1.0 1.8 4.43 498 498 A 82 VAL HB A 19 TYR HEx 1.0 1.8 4.80 499 499 A 82 VAL HG2% A 19 TYR HEx 1.0 1.8 3.29 500 500 A 19 TYR HEx A 86 LEU HDy% 1.0 1.8 3.21 501 501 A 24 PRO HG2 A 19 TYR HEy 1.0 1.8 4.20 502 502 A 19 TYR H A 19 TYR HDx 1.0 1.8 4.22 503 503 A 19 TYR HB3 A 19 TYR HDy 1.0 1.8 3.27 504 504 A 19 TYR HDx A 86 LEU HDy% 1.0 1.8 3.49 505 505 A 82 VAL HG2% A 19 TYR HDx 1.0 1.8 4.19 506 506 A 23 ILE HA A 19 TYR HDy 1.0 1.8 3.91 507 507 A 19 TYR HDy A 24 PRO HD2 1.0 1.8 3.82 508 508 A 7 PHE H A 8 LEU H 1.0 1.8 3.70 509 509 A 7 PHE HDx A 7 PHE H 1.0 1.8 5.42 510 510 A 7 PHE HDy A 7 PHE H 1.0 1.8 5.55 511 511 A 7 PHE H A 7 PHE HBy 1.0 1.8 3.43 512 512 A 7 PHE H A 7 PHE HBx 1.0 1.8 3.43 513 513 A 8 LEU H A 7 PHE HBy 1.0 1.8 4.29 514 514 A 8 LEU H A 7 PHE HBx 1.0 1.8 4.29 515 515 A 8 LEU HG A 8 LEU H 1.0 1.8 3.57 516 516 A 8 LEU H A 8 LEU HBy 1.0 1.8 4.19 517 517 A 8 LEU H A 8 LEU HBx 1.0 1.8 4.19 518 518 A 8 LEU H A 8 LEU HDx% 1.0 1.8 4.36 519 519 A 8 LEU H A 8 LEU HDy% 1.0 1.8 4.36 520 520 A 9 THR H A 8 LEU H 1.0 1.8 3.80 521 521 A 9 THR HB A 9 THR H 1.0 1.8 3.44 522 522 A 9 THR H A 6 ARG HA 1.0 1.8 4.27 523 523 A 10 SER H A 9 THR H 1.0 1.8 3.71 524 524 A 10 SER H A 11 ILE H 1.0 1.8 3.92 525 525 A 10 SER H A 10 SER HBx 1.0 1.8 3.98 526 526 A 10 SER H A 10 SER HBy 1.0 1.8 3.98 527 527 A 10 SER H A 13 ALA HB% 1.0 1.8 4.96 528 528 A 11 ILE H A 12 VAL H 1.0 1.8 3.50 529 529 A 11 ILE H A 10 SER HBx 1.0 1.8 5.06 530 530 A 11 ILE H A 10 SER HBy 1.0 1.8 5.06 531 531 A 8 LEU HA A 11 ILE H 1.0 1.8 4.18 532 532 A 11 ILE HB A 11 ILE H 1.0 1.8 3.38 533 533 A 9 THR HA A 12 VAL H 1.0 1.8 4.13 534 534 A 12 VAL HB A 12 VAL H 1.0 1.8 3.36 535 535 A 11 ILE HB A 12 VAL H 1.0 1.8 3.87 536 536 A 12 VAL HG2% A 12 VAL H 1.0 1.8 3.30 537 537 A 11 ILE HG2% A 12 VAL H 1.0 1.8 3.67 538 538 A 15 LEU HG A 12 VAL H 1.0 1.8 4.47 539 539 A 10 SER HA A 13 ALA H 1.0 1.8 4.33 540 540 A 12 VAL HB A 13 ALA H 1.0 1.8 3.56 541 541 A 12 VAL HG2% A 13 ALA H 1.0 1.8 4.29 542 542 A 12 VAL HG1% A 13 ALA H 1.0 1.8 3.93 543 543 A 14 TRP HB3 A 14 TRP H 1.0 1.8 3.34 544 544 A 11 ILE HA A 14 TRP H 1.0 1.8 4.18 545 545 A 13 ALA HB% A 14 TRP H 1.0 1.8 3.49 546 546 A 11 ILE HG2% A 14 TRP H 1.0 1.8 4.79 547 547 A 14 TRP HB2 A 14 TRP H 1.0 1.8 3.42 548 548 A 15 LEU H A 16 ARG H 1.0 1.8 3.60 549 549 A 15 LEU H A 14 TRP H 1.0 1.8 3.47 550 550 A 14 TRP HE3 A 15 LEU H 1.0 1.8 4.53 551 551 A 14 TRP HB3 A 15 LEU H 1.0 1.8 3.74 552 552 A 15 LEU H A 14 TRP HB2 1.0 1.8 4.32 553 553 A 13 ALA HB% A 15 LEU H 1.0 1.8 5.36 554 554 A 15 LEU H A 17 ALA HB% 1.0 1.8 5.55 555 555 A 15 LEU H A 15 LEU HB3 1.0 1.8 3.69 556 556 A 11 ILE HG2% A 15 LEU H 1.0 1.8 4.31 557 557 A 15 LEU H A 15 LEU HG 1.0 1.8 3.98 558 558 A 15 LEU H A 15 LEU HDy% 1.0 1.8 4.21 559 559 A 15 LEU H A 15 LEU HB2 1.0 1.8 3.48 560 560 A 16 ARG H A 17 ALA H 1.0 1.8 3.52 561 561 A 13 ALA HA A 16 ARG H 1.0 1.8 4.24 562 562 A 16 ARG H A 16 ARG HD2 1.0 1.8 5.22 563 563 A 16 ARG H A 16 ARG HD3 1.0 1.8 5.22 564 564 A 16 ARG H A 15 LEU HB3 1.0 1.8 4.29 565 565 A 14 TRP HA A 17 ALA H 1.0 1.8 4.39 566 566 A 17 ALA H A 16 ARG HBx 1.0 1.8 4.77 567 567 A 17 ALA H A 16 ARG HBy 1.0 1.8 4.77 568 568 A 17 ALA HB% A 17 ALA H 1.0 1.8 3.12 569 569 A 18 GLY H A 17 ALA H 1.0 1.8 3.51 570 570 A 17 ALA HB% A 18 GLY H 1.0 1.8 3.61 571 571 A 18 GLY H A 86 LEU HDx% 1.0 1.8 4.22 572 572 A 19 TYR HB2 A 19 TYR H 1.0 1.8 3.99 573 573 A 16 ARG HA A 19 TYR H 1.0 1.8 4.33 574 574 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.98 575 575 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.19 576 576 A 21 GLU H A 21 GLU HGx 1.0 1.8 4.19 577 577 A 20 PRO HG2 A 21 GLU H 1.0 1.8 3.43 578 578 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.98 579 579 A 21 GLU H A 22 GLY H 1.0 1.8 3.36 580 580 A 19 TYR HB3 A 22 GLY H 1.0 1.8 4.50 581 581 A 22 GLY H A 21 GLU HBy 1.0 1.8 4.84 582 582 A 22 GLY H A 21 GLU HBx 1.0 1.8 4.84 583 583 A 26 THR H A 27 ASP H 1.0 1.8 4.69 584 584 A 27 ASP H A 25 PRO HA 1.0 1.8 4.81 585 585 A 27 ASP H A 26 THR HB 1.0 1.8 5.17 586 586 A 27 ASP H A 24 PRO HD2 1.0 1.8 5.26 587 587 A 27 ASP H A 27 ASP HBy 1.0 1.8 4.21 588 588 A 27 ASP H A 27 ASP HBx 1.0 1.8 4.21 589 589 A 27 ASP H A 24 PRO HG2 1.0 1.8 4.44 590 590 A 27 ASP H A 23 ILE HG2% 1.0 1.8 4.72 591 591 A 27 ASP H A 28 SER H 1.0 1.8 3.22 592 592 A 25 PRO HA A 28 SER H 1.0 1.8 4.34 593 593 A 23 ILE HG2% A 28 SER H 1.0 1.8 4.27 594 594 A 29 PHE H A 28 SER H 1.0 1.8 4.19 595 595 A 29 PHE H A 28 SER HBy 1.0 1.8 4.49 596 596 A 29 PHE H A 29 PHE HBy 1.0 1.8 3.96 597 597 A 29 PHE H A 29 PHE HBx 1.0 1.8 3.96 598 598 A 30 ALA H A 29 PHE HBy 1.0 1.8 4.69 599 599 A 31 VAL H A 32 LEU H 1.0 1.8 3.77 600 600 A 31 VAL HB A 31 VAL H 1.0 1.8 3.36 601 601 A 30 ALA HB% A 31 VAL H 1.0 1.8 3.78 602 602 A 31 VAL HG2% A 31 VAL H 1.0 1.8 3.36 603 603 A 31 VAL HG1% A 31 VAL H 1.0 1.8 3.93 604 604 A 31 VAL HB A 32 LEU H 1.0 1.8 3.38 605 605 A 32 LEU H A 32 LEU HB2 1.0 1.8 4.06 606 606 A 32 LEU H A 32 LEU HB3 1.0 1.8 4.06 607 607 A 31 VAL HG2% A 32 LEU H 1.0 1.8 4.52 608 608 A 31 VAL HG1% A 32 LEU H 1.0 1.8 4.02 609 609 A 32 LEU HG A 32 LEU H 1.0 1.8 4.30 610 610 A 32 LEU HDy% A 32 LEU H 1.0 1.8 4.50 611 611 A 29 PHE HA A 32 LEU H 1.0 1.8 4.85 612 612 A 33 ALA H A 32 LEU H 1.0 1.8 3.86 613 613 A 33 ALA H A 32 LEU HB2 1.0 1.8 4.26 614 614 A 33 ALA H A 32 LEU HB3 1.0 1.8 4.26 615 615 A 33 ALA H A 74 PRO HG3 1.0 1.8 4.52 616 616 A 33 ALA H A 33 ALA HB% 1.0 1.8 3.24 617 617 A 33 ALA H A 34 LEU H 1.0 1.8 3.69 618 618 A 30 ALA HA A 34 LEU H 1.0 1.8 5.29 619 619 A 31 VAL HA A 34 LEU H 1.0 1.8 4.44 620 620 A 34 LEU HB2 A 34 LEU H 1.0 1.8 3.38 621 621 A 33 ALA HB% A 34 LEU H 1.0 1.8 3.47 622 622 A 36 CYS H A 35 LEU H 1.0 1.8 4.26 623 623 A 31 VAL HG1% A 35 LEU H 1.0 1.8 3.95 624 624 A 35 LEU H A 35 LEU HDx% 1.0 1.8 4.75 625 625 A 35 LEU H A 35 LEU HDy% 1.0 1.8 4.75 626 626 A 34 LEU HB3 A 35 LEU H 1.0 1.8 4.21 627 627 A 34 LEU HB2 A 35 LEU H 1.0 1.8 4.42 628 628 A 33 ALA HA A 36 CYS H 1.0 1.8 4.71 629 629 A 36 CYS HB2 A 36 CYS H 1.0 1.8 3.99 630 630 A 36 CYS HB3 A 36 CYS H 1.0 1.8 4.24 631 631 A 36 CYS H A 35 LEU HBy 1.0 1.8 4.69 632 632 A 36 CYS H A 35 LEU HBx 1.0 1.8 4.69 633 633 A 31 VAL HG1% A 36 CYS H 1.0 1.8 5.55 634 634 A 44 VAL HG2% A 36 CYS H 1.0 1.8 5.55 635 635 A 37 ARG H A 36 CYS H 1.0 1.8 4.20 636 636 A 37 ARG H A 38 ARG H 1.0 1.8 3.58 637 637 A 34 LEU HA A 37 ARG H 1.0 1.8 4.76 638 638 A 36 CYS HB3 A 37 ARG H 1.0 1.8 3.97 639 639 A 37 ARG H A 37 ARG HGx 1.0 1.8 4.05 640 640 A 39 LEU H A 38 ARG H 1.0 1.8 3.48 641 641 A 39 LEU H A 39 LEU HDy% 1.0 1.8 5.08 642 642 A 40 SER H A 39 LEU HA 1.0 1.8 3.61 643 643 A 40 SER H A 43 GLU HBy 1.0 1.8 4.62 644 644 A 40 SER H A 39 LEU HDx% 1.0 1.8 5.27 645 645 A 40 SER H A 39 LEU HDy% 1.0 1.8 5.27 646 646 A 42 ASP H A 41 HIS H 1.0 1.8 4.61 647 647 A 42 ASP H A 41 HIS HBy 1.0 1.8 4.60 648 648 A 42 ASP H A 41 HIS HBx 1.0 1.8 4.60 649 649 A 42 ASP H A 42 ASP HBx 1.0 1.8 4.12 650 650 A 42 ASP H A 43 GLU H 1.0 1.8 4.03 651 651 A 44 VAL H A 43 GLU H 1.0 1.8 3.83 652 652 A 40 SER H A 43 GLU H 1.0 1.8 5.00 653 653 A 43 GLU H A 43 GLU HBy 1.0 1.8 4.02 654 654 A 43 GLU H A 43 GLU HBx 1.0 1.8 4.02 655 655 A 44 VAL HG2% A 43 GLU H 1.0 1.8 4.97 656 656 A 44 VAL H A 44 VAL HB 1.0 1.8 3.75 657 657 A 44 VAL HG2% A 44 VAL H 1.0 1.8 4.22 658 658 A 44 VAL H A 45 LYS H 1.0 1.8 3.91 659 659 A 45 LYS H A 46 ALA H 1.0 1.8 3.97 660 660 A 45 LYS H A 42 ASP HA 1.0 1.8 4.81 661 661 A 43 GLU HA A 45 LYS H 1.0 1.8 4.87 662 662 A 45 LYS H A 44 VAL HB 1.0 1.8 3.95 663 663 A 45 LYS H A 45 LYS HB3 1.0 1.8 3.54 664 664 A 45 LYS H A 46 ALA HB% 1.0 1.8 4.60 665 665 A 44 VAL HG1% A 45 LYS H 1.0 1.8 4.21 666 666 A 46 ALA H A 47 VAL H 1.0 1.8 3.84 667 667 A 46 ALA H A 49 ASN H 1.0 1.8 5.15 668 668 A 46 ALA H A 45 LYS HB3 1.0 1.8 3.79 669 669 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.15 670 670 A 48 ALA H A 47 VAL H 1.0 1.8 3.73 671 671 A 48 ALA H A 47 VAL HGy% 1.0 1.8 4.46 672 672 A 45 LYS HA A 49 ASN H 1.0 1.8 4.79 673 673 A 49 ASN H A 49 ASN HBy 1.0 1.8 3.83 674 674 A 48 ALA HB% A 49 ASN H 1.0 1.8 3.79 675 675 A 49 ASN H A 50 GLU H 1.0 1.8 4.00 676 676 A 50 GLU H A 51 LEU H 1.0 1.8 4.18 677 677 A 50 GLU H A 50 GLU HBy 1.0 1.8 3.84 678 678 A 50 GLU H A 50 GLU HBx 1.0 1.8 3.84 679 679 A 50 GLU H A 49 ASN HBy 1.0 1.8 4.70 680 680 A 51 LEU HB2 A 50 GLU H 1.0 1.8 4.92 681 681 A 51 LEU H A 52 MET H 1.0 1.8 4.15 682 682 A 51 LEU HB2 A 51 LEU H 1.0 1.8 3.58 683 683 A 52 MET H A 53 ARG H 1.0 1.8 4.38 684 684 A 52 MET H A 52 MET HGy 1.0 1.8 3.91 685 685 A 52 MET H A 52 MET HBy 1.0 1.8 4.05 686 686 A 52 MET H A 52 MET HBx 1.0 1.8 4.05 687 687 A 51 LEU HB2 A 52 MET H 1.0 1.8 4.33 688 688 A 53 ARG H A 52 MET HBy 1.0 1.8 4.81 689 689 A 53 ARG H A 53 ARG HBy 1.0 1.8 4.00 690 690 A 53 ARG H A 54 LEU H 1.0 1.8 4.57 691 691 A 54 LEU H A 55 GLY H 1.0 1.8 4.26 692 692 A 54 LEU H A 53 ARG HBy 1.0 1.8 4.60 693 693 A 54 LEU H A 54 LEU HDx% 1.0 1.8 5.46 694 694 A 54 LEU H A 54 LEU HDy% 1.0 1.8 5.46 695 695 A 55 GLY H A 54 LEU HBy 1.0 1.8 4.64 696 696 A 55 GLY H A 54 LEU HBx 1.0 1.8 4.64 697 697 A 55 GLY H A 54 LEU HDx% 1.0 1.8 5.55 698 698 A 55 GLY H A 54 LEU HDy% 1.0 1.8 5.55 699 699 A 47 VAL H A 47 VAL HGx% 1.0 1.8 4.20 700 700 A 47 VAL H A 47 VAL HGy% 1.0 1.8 4.20 701 701 A 60 ILE H A 59 GLN HA 1.0 1.8 3.30 702 702 A 60 ILE H A 60 ILE HG1x 1.0 1.8 4.32 703 703 A 60 ILE HD1% A 60 ILE H 1.0 1.8 4.76 704 704 A 60 ILE HB A 61 ASP H 1.0 1.8 4.25 705 705 A 60 ILE HD1% A 61 ASP H 1.0 1.8 5.55 706 706 A 62 ILE H A 63 GLY H 1.0 1.8 4.11 707 707 A 62 ILE H A 61 ASP HA 1.0 1.8 3.20 708 708 A 62 ILE HB A 62 ILE H 1.0 1.8 3.62 709 709 A 62 ILE H A 62 ILE HG1y 1.0 1.8 4.12 710 710 A 62 ILE H A 62 ILE HG1x 1.0 1.8 4.12 711 711 A 60 ILE HD1% A 62 ILE H 1.0 1.8 5.24 712 712 A 62 ILE HG2% A 62 ILE H 1.0 1.8 4.13 713 713 A 62 ILE HB A 63 GLY H 1.0 1.8 3.80 714 714 A 62 ILE HG2% A 63 GLY H 1.0 1.8 4.78 715 715 A 63 GLY H A 64 VAL H 1.0 1.8 3.77 716 716 A 65 VAL H A 64 VAL H 1.0 1.8 3.49 717 717 A 64 VAL HB A 64 VAL H 1.0 1.8 3.27 718 718 A 64 VAL H A 64 VAL HGx% 1.0 1.8 4.14 719 719 A 64 VAL H A 64 VAL HGy% 1.0 1.8 4.14 720 720 A 65 VAL H A 66 ILE H 1.0 1.8 4.26 721 721 A 65 VAL H A 65 VAL HB 1.0 1.8 3.92 722 722 A 64 VAL HB A 65 VAL H 1.0 1.8 4.20 723 723 A 65 VAL H A 65 VAL HGx% 1.0 1.8 4.14 724 724 A 66 ILE HB A 66 ILE H 1.0 1.8 4.24 725 725 A 65 VAL HB A 66 ILE H 1.0 1.8 4.30 726 726 A 66 ILE H A 65 VAL HGx% 1.0 1.8 4.86 727 727 A 66 ILE HG2% A 66 ILE H 1.0 1.8 3.65 728 728 A 62 ILE HA A 66 ILE H 1.0 1.8 5.49 729 729 A 66 ILE H A 65 VAL HGy% 1.0 1.8 4.86 730 730 A 66 ILE HD1% A 66 ILE H 1.0 1.8 4.67 731 731 A 67 THR H A 66 ILE H 1.0 1.8 4.06 732 732 A 67 THR HG2% A 67 THR H 1.0 1.8 3.63 733 733 A 68 HIS H A 69 PHE H 1.0 1.8 3.61 734 734 A 67 THR H A 68 HIS H 1.0 1.8 3.43 735 735 A 68 HIS H A 68 HIS HBy 1.0 1.8 4.23 736 736 A 68 HIS H A 68 HIS HBx 1.0 1.8 4.23 737 737 A 67 THR HG2% A 68 HIS H 1.0 1.8 4.91 738 738 A 69 PHE HDx A 69 PHE H 1.0 1.8 4.12 739 739 A 69 PHE H A 69 PHE HBy 1.0 1.8 4.03 740 740 A 69 PHE H A 69 PHE HBx 1.0 1.8 4.03 741 741 A 66 ILE HA A 69 PHE H 1.0 1.8 5.55 742 742 A 69 PHE HDy A 70 THR H 1.0 1.8 4.46 743 743 A 69 PHE HA A 70 THR H 1.0 1.8 3.34 744 744 A 70 THR H A 69 PHE HBy 1.0 1.8 4.73 745 745 A 70 THR H A 69 PHE HBx 1.0 1.8 4.73 746 746 A 70 THR HG2% A 70 THR H 1.0 1.8 3.98 747 747 A 71 ASP H A 72 GLU H 1.0 1.8 4.27 748 748 A 70 THR HG2% A 72 GLU H 1.0 1.8 4.64 749 749 A 75 SER H A 74 PRO HA 1.0 1.8 3.38 750 750 A 75 SER H A 75 SER HBx 1.0 1.8 4.06 751 751 A 75 SER H A 78 ASP HBy 1.0 1.8 4.97 752 752 A 74 PRO HB3 A 75 SER H 1.0 1.8 4.40 753 753 A 74 PRO HB2 A 75 SER H 1.0 1.8 4.16 754 754 A 70 THR H A 73 LEU H 1.0 1.8 4.89 755 755 A 72 GLU H A 73 LEU H 1.0 1.8 3.20 756 756 A 73 LEU H A 73 LEU HBy 1.0 1.8 3.90 757 757 A 73 LEU H A 73 LEU HBx 1.0 1.8 3.90 758 758 A 77 GLU H A 76 PRO HBy 1.0 1.8 4.43 759 759 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.81 760 760 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.81 761 761 A 77 GLU H A 78 ASP H 1.0 1.8 3.95 762 762 A 78 ASP H A 78 ASP HBy 1.0 1.8 4.01 763 763 A 78 ASP H A 78 ASP HBx 1.0 1.8 4.01 764 764 A 78 ASP H A 77 GLU HBy 1.0 1.8 4.11 765 765 A 78 ASP H A 77 GLU HBx 1.0 1.8 4.11 766 766 A 81 ARG H A 80 GLU H 1.0 1.8 3.79 767 767 A 77 GLU HA A 80 GLU H 1.0 1.8 4.26 768 768 A 80 GLU H A 80 GLU HGy 1.0 1.8 4.75 769 769 A 80 GLU H A 79 VAL HB 1.0 1.8 3.57 770 770 A 80 GLU H A 80 GLU HBy 1.0 1.8 3.69 771 771 A 80 GLU H A 80 GLU HBx 1.0 1.8 3.69 772 772 A 81 ARG H A 78 ASP HA 1.0 1.8 4.67 773 773 A 81 ARG H A 81 ARG HBy 1.0 1.8 3.82 774 774 A 81 ARG H A 81 ARG HBx 1.0 1.8 3.82 775 775 A 81 ARG H A 81 ARG HGy 1.0 1.8 4.76 776 776 A 81 ARG H A 81 ARG HGx 1.0 1.8 4.76 777 777 A 79 VAL HA A 82 VAL H 1.0 1.8 4.53 778 778 A 82 VAL HB A 82 VAL H 1.0 1.8 3.35 779 779 A 82 VAL HG1% A 82 VAL H 1.0 1.8 3.40 780 780 A 83 ARG H A 84 ALA H 1.0 1.8 3.91 781 781 A 83 ARG H A 82 VAL H 1.0 1.8 3.91 782 782 A 80 GLU HA A 83 ARG H 1.0 1.8 4.80 783 783 A 83 ARG H A 83 ARG HBy 1.0 1.8 3.82 784 784 A 83 ARG H A 83 ARG HBx 1.0 1.8 3.82 785 785 A 82 VAL HG1% A 83 ARG H 1.0 1.8 3.79 786 786 A 84 ALA H A 85 ARG H 1.0 1.8 3.74 787 787 A 84 ALA H A 83 ARG HBy 1.0 1.8 4.01 788 788 A 84 ALA H A 83 ARG HBx 1.0 1.8 4.01 789 789 A 84 ALA H A 84 ALA HB% 1.0 1.8 3.21 790 790 A 86 LEU H A 85 ARG H 1.0 1.8 3.39 791 791 A 82 VAL HA A 85 ARG H 1.0 1.8 4.41 792 792 A 85 ARG H A 85 ARG HBx 1.0 1.8 3.64 793 793 A 85 ARG H A 85 ARG HBy 1.0 1.8 3.64 794 794 A 85 ARG H A 84 ALA HB% 1.0 1.8 3.39 795 795 A 86 LEU H A 87 ALA H 1.0 1.8 4.04 796 796 A 86 LEU H A 84 ALA HB% 1.0 1.8 5.55 797 797 A 86 LEU HG A 86 LEU H 1.0 1.8 4.36 798 798 A 83 ARG HA A 87 ALA H 1.0 1.8 4.65 799 799 A 87 ALA H A 88 ALA H 1.0 1.8 3.89 800 800 A 88 ALA H A 89 GLN H 1.0 1.8 3.33 801 801 A 88 ALA H A 88 ALA HB% 1.0 1.8 2.97 802 802 A 89 GLN H A 14 TRP HE1 1.0 1.8 4.72 803 803 A 87 ALA HA A 89 GLN H 1.0 1.8 4.82 804 804 A 86 LEU HA A 89 GLN H 1.0 1.8 4.71 805 805 A 89 GLN H A 89 GLN HBy 1.0 1.8 4.03 806 806 A 89 GLN H A 89 GLN HBx 1.0 1.8 4.03 807 807 A 88 ALA HB% A 89 GLN H 1.0 1.8 3.57 808 808 A 87 ALA HA A 90 GLY H 1.0 1.8 4.49 809 809 A 88 ALA HB% A 90 GLY H 1.0 1.8 4.82 810 810 A 94 ASP H A 95 ASP H 1.0 1.8 4.32 811 811 A 94 ASP H A 94 ASP HBy 1.0 1.8 4.24 812 812 A 94 ASP H A 94 ASP HBx 1.0 1.8 4.24 813 813 A 94 ASP H A 93 LEU HBy 1.0 1.8 4.90 814 814 A 94 ASP H A 93 LEU HBx 1.0 1.8 4.90 815 815 A 96 VAL HA A 97 ARG H 1.0 1.8 3.05 816 816 A 97 ARG HDx A 97 ARG H 1.0 1.8 5.55 817 817 A 97 ARG HDy A 97 ARG H 1.0 1.8 5.55 818 818 A 97 ARG H A 96 VAL HB 1.0 1.8 4.45 819 819 A 97 ARG H A 97 ARG HBx 1.0 1.8 4.10 820 820 A 97 ARG H A 98 ASP H 1.0 1.8 4.67 821 821 A 97 ARG HA A 98 ASP H 1.0 1.8 3.28 822 822 A 98 ASP H A 97 ARG HBy 1.0 1.8 4.64 823 823 A 98 ASP H A 99 ARG H 1.0 1.8 4.85 824 824 A 99 ARG H A 98 ASP HA 1.0 1.8 3.21 825 825 A 99 ARG H A 98 ASP HBx 1.0 1.8 5.04 826 826 A 99 ARG H A 98 ASP HBy 1.0 1.8 5.04 827 827 A 99 ARG H A 100 GLU H 1.0 1.8 4.03 828 828 A 100 GLU H A 100 GLU HBx 1.0 1.8 4.22 829 829 A 100 GLU H A 100 GLU HBy 1.0 1.8 4.22 830 830 A 96 VAL HB A 96 VAL H 1.0 1.8 3.14 831 831 A 96 VAL H A 95 ASP HA 1.0 1.8 2.98 832 832 A 91 TRP HE1 A 93 LEU HBy 1.0 1.8 4.40 833 833 A 91 TRP HE1 A 93 LEU HBx 1.0 1.8 4.40 834 834 A 14 TRP HE1 A 90 GLY H 1.0 1.8 5.00 835 835 A 87 ALA HA A 14 TRP HE1 1.0 1.8 4.76 836 836 A 91 TRP HA A 14 TRP HE1 1.0 1.8 4.42 837 837 A 14 TRP HE1 A 92 PRO HDy 1.0 1.8 4.74 838 838 A 14 TRP HE1 A 92 PRO HDx 1.0 1.8 4.74 839 839 A 86 LEU HDx% A 14 TRP HE1 1.0 1.8 4.95 840 840 A 88 ALA HB% A 89 GLN HE2x 1.0 1.8 4.14 841 841 A 86 LEU HA A 89 GLN HE2x 1.0 1.8 4.98 842 842 A 5 ASN H A 5 ASN HBy 1.0 1.8 3.61 843 842 A 5 ASN H A 5 ASN HBx 1.0 1.8 3.61 844 843 A 6 ARG HA A 6 ARG HDy 1.0 1.8 4.44 845 843 A 6 ARG HA A 6 ARG HDx 1.0 1.8 4.44 846 844 A 7 PHE HDx A 7 PHE HBx 1.0 1.8 3.20 847 844 A 7 PHE HDx A 7 PHE HBy 1.0 1.8 3.20 848 845 A 8 LEU H A 7 PHE HBx 1.0 1.8 3.64 849 845 A 8 LEU H A 7 PHE HBy 1.0 1.8 3.64 850 846 A 8 LEU H A 8 LEU HBx 1.0 1.8 3.55 851 846 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.55 852 847 A 8 LEU HA A 8 LEU HDx% 1.0 1.8 4.11 853 847 A 8 LEU HA A 8 LEU HDy% 1.0 1.8 4.11 854 848 A 8 LEU HA A 11 ILE HG1x 1.0 1.8 4.02 855 848 A 8 LEU HA A 11 ILE HG1y 1.0 1.8 4.02 856 849 A 43 GLU HA A 8 LEU HDx% 1.0 1.8 4.51 857 849 A 43 GLU HA A 8 LEU HDy% 1.0 1.8 4.51 858 850 A 8 LEU HDy% A 43 GLU HGx 1.0 1.8 3.90 859 850 A 43 GLU HGy A 8 LEU HDx% 1.0 1.8 3.90 860 850 A 8 LEU HDy% A 43 GLU HGy 1.0 1.8 3.90 861 850 A 8 LEU HDx% A 43 GLU HGx 1.0 1.8 3.90 862 851 A 10 SER H A 10 SER HBx 1.0 1.8 3.39 863 851 A 10 SER H A 10 SER HBy 1.0 1.8 3.39 864 852 A 11 ILE H A 10 SER HBx 1.0 1.8 4.44 865 852 A 11 ILE H A 10 SER HBy 1.0 1.8 4.44 866 853 A 11 ILE H A 11 ILE HG1x 1.0 1.8 3.38 867 853 A 11 ILE H A 11 ILE HG1y 1.0 1.8 3.38 868 854 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 3.60 869 854 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.60 870 855 A 11 ILE HD1% A 92 PRO HBy 1.0 1.8 4.24 871 855 A 11 ILE HD1% A 92 PRO HBx 1.0 1.8 4.24 872 856 A 12 VAL H A 47 VAL HGy% 1.0 1.8 4.15 873 856 A 12 VAL H A 47 VAL HGx% 1.0 1.8 4.15 874 857 A 12 VAL HA A 51 LEU HDx% 1.0 1.8 4.45 875 857 A 12 VAL HA A 51 LEU HDy% 1.0 1.8 4.45 876 858 A 12 VAL HB A 47 VAL HGy% 1.0 1.8 4.63 877 858 A 12 VAL HB A 47 VAL HGx% 1.0 1.8 4.63 878 859 A 12 VAL HB A 51 LEU HDx% 1.0 1.8 4.42 879 859 A 12 VAL HB A 51 LEU HDy% 1.0 1.8 4.42 880 860 A 12 VAL HG1% A 16 ARG HGx 1.0 1.8 4.62 881 860 A 12 VAL HG1% A 16 ARG HGy 1.0 1.8 4.62 882 861 A 12 VAL HG1% A 16 ARG HD3 1.0 1.8 3.59 883 861 A 12 VAL HG1% A 16 ARG HD2 1.0 1.8 3.59 884 862 A 12 VAL HG1% A 50 GLU HBy 1.0 1.8 5.39 885 862 A 12 VAL HG1% A 50 GLU HBx 1.0 1.8 5.39 886 863 A 12 VAL HG1% A 50 GLU HGx 1.0 1.8 4.65 887 863 A 12 VAL HG1% A 50 GLU HGy 1.0 1.8 4.65 888 864 A 12 VAL HG2% A 47 VAL HGy% 1.0 1.8 3.11 889 864 A 12 VAL HG2% A 47 VAL HGx% 1.0 1.8 3.11 890 865 A 12 VAL HG2% A 50 GLU HBy 1.0 1.8 4.80 891 865 A 12 VAL HG2% A 50 GLU HBx 1.0 1.8 4.80 892 866 A 12 VAL HG2% A 50 GLU HGx 1.0 1.8 3.62 893 866 A 12 VAL HG2% A 50 GLU HGy 1.0 1.8 3.62 894 867 A 13 ALA HA A 16 ARG HGx 1.0 1.8 4.29 895 867 A 13 ALA HA A 16 ARG HGy 1.0 1.8 4.29 896 868 A 13 ALA HA A 16 ARG HD3 1.0 1.8 4.12 897 868 A 13 ALA HA A 16 ARG HD2 1.0 1.8 4.12 898 869 A 13 ALA HB% A 16 ARG HGx 1.0 1.8 3.70 899 869 A 13 ALA HB% A 16 ARG HGy 1.0 1.8 3.70 900 870 A 14 TRP HD1 A 89 GLN HBy 1.0 1.8 3.27 901 870 A 14 TRP HD1 A 89 GLN HBx 1.0 1.8 3.27 902 871 A 14 TRP HD1 A 90 GLY HAy 1.0 1.8 5.39 903 871 A 14 TRP HD1 A 90 GLY HAx 1.0 1.8 5.39 904 872 A 14 TRP HE1 A 86 LEU HB3 1.0 1.8 4.57 905 872 A 14 TRP HE1 A 86 LEU HB2 1.0 1.8 4.57 906 873 A 14 TRP HE1 A 89 GLN HBy 1.0 1.8 4.56 907 873 A 14 TRP HE1 A 89 GLN HBx 1.0 1.8 4.56 908 874 A 14 TRP HZ3 A 35 LEU HDx% 1.0 1.8 3.31 909 874 A 14 TRP HZ3 A 35 LEU HDy% 1.0 1.8 3.31 910 875 A 14 TRP HZ3 A 93 LEU HDx% 1.0 1.8 4.65 911 875 A 14 TRP HZ3 A 93 LEU HDy% 1.0 1.8 4.65 912 876 A 14 TRP HZ2 A 86 LEU HB3 1.0 1.8 3.35 913 876 A 14 TRP HZ2 A 86 LEU HB2 1.0 1.8 3.35 914 877 A 14 TRP HZ2 A 92 PRO HDx 1.0 1.8 4.21 915 877 A 14 TRP HZ2 A 92 PRO HDy 1.0 1.8 4.21 916 878 A 14 TRP HH2 A 35 LEU HDx% 1.0 1.8 4.08 917 878 A 14 TRP HH2 A 35 LEU HDy% 1.0 1.8 4.08 918 879 A 14 TRP HH2 A 38 ARG HBy 1.0 1.8 5.39 919 879 A 14 TRP HH2 A 38 ARG HBx 1.0 1.8 5.39 920 880 A 14 TRP HH2 A 93 LEU HDx% 1.0 1.8 3.43 921 880 A 14 TRP HH2 A 93 LEU HDy% 1.0 1.8 3.43 922 881 A 16 ARG H A 16 ARG HGx 1.0 1.8 3.33 923 881 A 16 ARG H A 16 ARG HGy 1.0 1.8 3.33 924 882 A 16 ARG H A 16 ARG HD3 1.0 1.8 4.44 925 882 A 16 ARG H A 16 ARG HD2 1.0 1.8 4.44 926 883 A 16 ARG H A 51 LEU HDx% 1.0 1.8 5.00 927 883 A 16 ARG H A 51 LEU HDy% 1.0 1.8 5.00 928 884 A 16 ARG HA A 16 ARG HD3 1.0 1.8 4.82 929 884 A 16 ARG HA A 16 ARG HD2 1.0 1.8 4.82 930 885 A 16 ARG HA A 51 LEU HDx% 1.0 1.8 4.69 931 885 A 16 ARG HA A 51 LEU HDy% 1.0 1.8 4.69 932 886 A 17 ALA H A 16 ARG HBx 1.0 1.8 3.90 933 886 A 17 ALA H A 16 ARG HBy 1.0 1.8 3.90 934 887 A 16 ARG HGy A 51 LEU HDx% 1.0 1.8 3.87 935 887 A 16 ARG HGx A 51 LEU HDx% 1.0 1.8 3.87 936 887 A 51 LEU HDy% A 16 ARG HGx 1.0 1.8 3.87 937 887 A 51 LEU HDy% A 16 ARG HGy 1.0 1.8 3.87 938 888 A 16 ARG HD2 A 51 LEU HDx% 1.0 1.8 3.92 939 888 A 16 ARG HD3 A 51 LEU HDx% 1.0 1.8 3.92 940 888 A 51 LEU HDy% A 16 ARG HD3 1.0 1.8 3.92 941 888 A 51 LEU HDy% A 16 ARG HD2 1.0 1.8 3.92 942 889 A 17 ALA H A 18 GLY HAx 1.0 1.8 4.68 943 889 A 17 ALA H A 18 GLY HAy 1.0 1.8 4.68 944 890 A 86 LEU HDx% A 18 GLY HAx 1.0 1.8 3.63 945 890 A 86 LEU HDx% A 18 GLY HAy 1.0 1.8 3.63 946 891 A 86 LEU HDy% A 18 GLY HAx 1.0 1.8 4.73 947 891 A 86 LEU HDy% A 18 GLY HAy 1.0 1.8 4.73 948 892 A 89 GLN HE2x A 18 GLY HAx 1.0 1.8 4.37 949 892 A 89 GLN HE2x A 18 GLY HAy 1.0 1.8 4.37 950 892 A 89 GLN HE2y A 18 GLY HAx 1.0 1.8 4.37 951 892 A 89 GLN HE2y A 18 GLY HAy 1.0 1.8 4.37 952 893 A 19 TYR HA A 20 PRO HDx 1.0 1.8 3.43 953 893 A 19 TYR HA A 20 PRO HDy 1.0 1.8 3.43 954 894 A 19 TYR HDx A 23 ILE HG1x 1.0 1.8 4.35 955 894 A 19 TYR HDx A 23 ILE HG1y 1.0 1.8 4.35 956 895 A 19 TYR HEx A 27 ASP HBy 1.0 1.8 4.52 957 895 A 19 TYR HEx A 27 ASP HBx 1.0 1.8 4.52 958 896 A 19 TYR HDy A 23 ILE HG1x 1.0 1.8 4.90 959 896 A 19 TYR HDy A 23 ILE HG1y 1.0 1.8 4.90 960 897 A 21 GLU H A 20 PRO HDx 1.0 1.8 4.10 961 897 A 21 GLU H A 20 PRO HDy 1.0 1.8 4.10 962 898 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.45 963 898 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.45 964 899 A 21 GLU HA A 21 GLU HGx 1.0 1.8 3.42 965 899 A 21 GLU HA A 21 GLU HGy 1.0 1.8 3.42 966 900 A 23 ILE H A 23 ILE HG1x 1.0 1.8 4.06 967 900 A 23 ILE H A 23 ILE HG1y 1.0 1.8 4.06 968 901 A 23 ILE HG2% A 23 ILE HG1x 1.0 1.8 3.22 969 901 A 23 ILE HG2% A 23 ILE HG1y 1.0 1.8 3.22 970 902 A 23 ILE HG2% A 27 ASP HBy 1.0 1.8 3.88 971 902 A 23 ILE HG2% A 27 ASP HBx 1.0 1.8 3.88 972 903 A 24 PRO HA A 58 ASP HBx 1.0 1.8 3.49 973 903 A 24 PRO HA A 58 ASP HBy 1.0 1.8 3.49 974 904 A 25 PRO HD2 A 24 PRO HBy 1.0 1.8 3.47 975 904 A 25 PRO HD2 A 24 PRO HBx 1.0 1.8 3.47 976 905 A 24 PRO HG2 A 27 ASP HBy 1.0 1.8 4.24 977 905 A 24 PRO HG2 A 27 ASP HBx 1.0 1.8 4.24 978 906 A 24 PRO HD2 A 27 ASP HBy 1.0 1.8 4.25 979 906 A 24 PRO HD2 A 27 ASP HBx 1.0 1.8 4.25 980 907 A 25 PRO HA A 28 SER HBy 1.0 1.8 4.12 981 907 A 25 PRO HA A 28 SER HBx 1.0 1.8 4.12 982 908 A 25 PRO HD3 A 58 ASP HBx 1.0 1.8 3.56 983 908 A 25 PRO HD3 A 58 ASP HBy 1.0 1.8 3.56 984 909 A 27 ASP H A 27 ASP HBy 1.0 1.8 3.45 985 909 A 27 ASP H A 27 ASP HBx 1.0 1.8 3.45 986 910 A 27 ASP H A 28 SER HBy 1.0 1.8 5.35 987 910 A 27 ASP H A 28 SER HBx 1.0 1.8 5.35 988 911 A 28 SER H A 27 ASP HBy 1.0 1.8 4.21 989 911 A 28 SER H A 27 ASP HBx 1.0 1.8 4.21 990 912 A 82 VAL HG1% A 27 ASP HBy 1.0 1.8 4.53 991 912 A 82 VAL HG1% A 27 ASP HBx 1.0 1.8 4.53 992 913 A 82 VAL HG2% A 27 ASP HBy 1.0 1.8 3.67 993 913 A 82 VAL HG2% A 27 ASP HBx 1.0 1.8 3.67 994 914 A 28 SER H A 28 SER HBy 1.0 1.8 3.29 995 914 A 28 SER H A 28 SER HBx 1.0 1.8 3.29 996 915 A 29 PHE H A 28 SER HBy 1.0 1.8 3.64 997 915 A 29 PHE H A 28 SER HBx 1.0 1.8 3.64 998 916 A 31 VAL HB A 28 SER HBy 1.0 1.8 4.83 999 916 A 31 VAL HB A 28 SER HBx 1.0 1.8 4.83 1000 917 A 60 ILE HD1% A 28 SER HBy 1.0 1.8 3.77 1001 917 A 60 ILE HD1% A 28 SER HBx 1.0 1.8 3.77 1002 918 A 62 ILE HD1% A 28 SER HBy 1.0 1.8 4.51 1003 918 A 62 ILE HD1% A 28 SER HBx 1.0 1.8 4.51 1004 919 A 29 PHE H A 29 PHE HBx 1.0 1.8 3.38 1005 919 A 29 PHE H A 29 PHE HBy 1.0 1.8 3.38 1006 920 A 29 PHE HA A 32 LEU HB3 1.0 1.8 4.23 1007 920 A 29 PHE HA A 32 LEU HB2 1.0 1.8 4.23 1008 921 A 30 ALA H A 29 PHE HBx 1.0 1.8 4.10 1009 921 A 30 ALA H A 29 PHE HBy 1.0 1.8 4.10 1010 922 A 29 PHE HBx A 65 VAL HGy% 1.0 1.8 4.99 1011 922 A 29 PHE HBy A 65 VAL HGy% 1.0 1.8 4.99 1012 922 A 65 VAL HGx% A 29 PHE HBx 1.0 1.8 4.99 1013 922 A 29 PHE HBy A 65 VAL HGx% 1.0 1.8 4.99 1014 923 A 74 PRO HB2 A 29 PHE HBx 1.0 1.8 4.83 1015 923 A 74 PRO HB2 A 29 PHE HBy 1.0 1.8 4.83 1016 924 A 74 PRO HG2 A 29 PHE HBx 1.0 1.8 5.39 1017 924 A 74 PRO HG2 A 29 PHE HBy 1.0 1.8 5.39 1018 925 A 74 PRO HG3 A 29 PHE HBx 1.0 1.8 4.52 1019 925 A 74 PRO HG3 A 29 PHE HBy 1.0 1.8 4.52 1020 926 A 29 PHE HDx A 65 VAL HGy% 1.0 1.8 3.40 1021 926 A 29 PHE HDx A 65 VAL HGx% 1.0 1.8 3.40 1022 927 A 29 PHE HEx A 65 VAL HGy% 1.0 1.8 3.32 1023 927 A 29 PHE HEx A 65 VAL HGx% 1.0 1.8 3.32 1024 928 A 29 PHE HEy A 65 VAL HGy% 1.0 1.8 3.61 1025 928 A 29 PHE HEy A 65 VAL HGx% 1.0 1.8 3.61 1026 929 A 29 PHE HDy A 65 VAL HGy% 1.0 1.8 3.69 1027 929 A 29 PHE HDy A 65 VAL HGx% 1.0 1.8 3.69 1028 930 A 30 ALA H A 79 VAL HGy% 1.0 1.8 4.65 1029 930 A 30 ALA H A 79 VAL HGx% 1.0 1.8 4.65 1030 931 A 30 ALA HB% A 78 ASP HBy 1.0 1.8 3.49 1031 931 A 30 ALA HB% A 78 ASP HBx 1.0 1.8 3.49 1032 932 A 30 ALA HB% A 79 VAL HGy% 1.0 1.8 3.36 1033 932 A 30 ALA HB% A 79 VAL HGx% 1.0 1.8 3.36 1034 933 A 31 VAL HG1% A 35 LEU HBx 1.0 1.8 3.78 1035 933 A 31 VAL HG1% A 35 LEU HBy 1.0 1.8 3.78 1036 934 A 32 LEU H A 32 LEU HB3 1.0 1.8 3.57 1037 934 A 32 LEU H A 32 LEU HB2 1.0 1.8 3.57 1038 935 A 66 ILE HG2% A 32 LEU HB3 1.0 1.8 3.81 1039 935 A 66 ILE HG2% A 32 LEU HB2 1.0 1.8 3.81 1040 936 A 33 ALA HB% A 74 PRO HDx 1.0 1.8 3.67 1041 936 A 33 ALA HB% A 74 PRO HDy 1.0 1.8 3.67 1042 937 A 34 LEU H A 35 LEU HBx 1.0 1.8 4.81 1043 937 A 34 LEU H A 35 LEU HBy 1.0 1.8 4.81 1044 938 A 34 LEU HA A 37 ARG HGx 1.0 1.8 3.94 1045 938 A 34 LEU HA A 37 ARG HGy 1.0 1.8 3.94 1046 939 A 35 LEU H A 35 LEU HBx 1.0 1.8 3.22 1047 939 A 35 LEU H A 35 LEU HBy 1.0 1.8 3.22 1048 940 A 35 LEU H A 35 LEU HDx% 1.0 1.8 4.16 1049 940 A 35 LEU H A 35 LEU HDy% 1.0 1.8 4.16 1050 941 A 35 LEU HA A 35 LEU HDx% 1.0 1.8 3.37 1051 941 A 35 LEU HA A 35 LEU HDy% 1.0 1.8 3.37 1052 942 A 35 LEU HA A 93 LEU HDx% 1.0 1.8 4.28 1053 942 A 35 LEU HA A 93 LEU HDy% 1.0 1.8 4.28 1054 943 A 36 CYS H A 35 LEU HBx 1.0 1.8 3.96 1055 943 A 36 CYS H A 35 LEU HBy 1.0 1.8 3.96 1056 944 A 44 VAL HG1% A 35 LEU HBx 1.0 1.8 3.29 1057 944 A 44 VAL HG1% A 35 LEU HBy 1.0 1.8 3.29 1058 945 A 36 CYS HB3 A 37 ARG HGx 1.0 1.8 3.92 1059 945 A 36 CYS HB3 A 37 ARG HGy 1.0 1.8 3.92 1060 946 A 37 ARG H A 37 ARG HBx 1.0 1.8 3.19 1061 946 A 37 ARG H A 37 ARG HBy 1.0 1.8 3.19 1062 947 A 38 ARG H A 37 ARG HBx 1.0 1.8 4.26 1063 947 A 38 ARG H A 37 ARG HBy 1.0 1.8 4.26 1064 948 A 38 ARG H A 38 ARG HBy 1.0 1.8 3.65 1065 948 A 38 ARG H A 38 ARG HBx 1.0 1.8 3.65 1066 949 A 38 ARG HA A 38 ARG HDy 1.0 1.8 3.99 1067 949 A 38 ARG HA A 38 ARG HDx 1.0 1.8 3.99 1068 950 A 39 LEU H A 38 ARG HBy 1.0 1.8 3.92 1069 950 A 39 LEU H A 38 ARG HBx 1.0 1.8 3.92 1070 951 A 38 ARG HBx A 93 LEU HDx% 1.0 1.8 3.91 1071 951 A 38 ARG HBy A 93 LEU HDx% 1.0 1.8 3.91 1072 951 A 93 LEU HDy% A 38 ARG HBy 1.0 1.8 3.91 1073 951 A 93 LEU HDy% A 38 ARG HBx 1.0 1.8 3.91 1074 952 A 39 LEU HG A 38 ARG HGx 1.0 1.8 3.58 1075 952 A 39 LEU HG A 38 ARG HGy 1.0 1.8 3.58 1076 953 A 38 ARG HGx A 93 LEU HDx% 1.0 1.8 4.09 1077 953 A 93 LEU HDy% A 38 ARG HGx 1.0 1.8 4.09 1078 953 A 93 LEU HDy% A 38 ARG HGy 1.0 1.8 4.09 1079 953 A 38 ARG HGy A 93 LEU HDx% 1.0 1.8 4.09 1080 954 A 39 LEU HG A 38 ARG HDy 1.0 1.8 4.09 1081 954 A 39 LEU HG A 38 ARG HDx 1.0 1.8 4.09 1082 955 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.62 1083 955 A 39 LEU H A 39 LEU HBy 1.0 1.8 3.62 1084 956 A 39 LEU H A 39 LEU HDx% 1.0 1.8 4.26 1085 956 A 39 LEU H A 39 LEU HDy% 1.0 1.8 4.26 1086 957 A 39 LEU HA A 39 LEU HDx% 1.0 1.8 3.58 1087 957 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 3.58 1088 958 A 40 SER H A 39 LEU HBx 1.0 1.8 3.77 1089 958 A 40 SER H A 39 LEU HBy 1.0 1.8 3.77 1090 959 A 39 LEU HBy A 43 GLU HBy 1.0 1.8 3.95 1091 959 A 39 LEU HBx A 43 GLU HBy 1.0 1.8 3.95 1092 959 A 43 GLU HBx A 39 LEU HBx 1.0 1.8 3.95 1093 959 A 39 LEU HBy A 43 GLU HBx 1.0 1.8 3.95 1094 960 A 44 VAL HA A 39 LEU HBx 1.0 1.8 4.68 1095 960 A 44 VAL HA A 39 LEU HBy 1.0 1.8 4.68 1096 961 A 44 VAL HG1% A 39 LEU HBx 1.0 1.8 3.31 1097 961 A 44 VAL HG1% A 39 LEU HBy 1.0 1.8 3.31 1098 962 A 39 LEU HG A 43 GLU HBy 1.0 1.8 5.10 1099 962 A 39 LEU HG A 43 GLU HBx 1.0 1.8 5.10 1100 963 A 39 LEU HG A 43 GLU HGx 1.0 1.8 4.68 1101 963 A 39 LEU HG A 43 GLU HGy 1.0 1.8 4.68 1102 964 A 40 SER H A 39 LEU HDx% 1.0 1.8 4.34 1103 964 A 40 SER H A 39 LEU HDy% 1.0 1.8 4.34 1104 965 A 39 LEU HDy% A 43 GLU HBy 1.0 1.8 4.11 1105 965 A 39 LEU HDx% A 43 GLU HBy 1.0 1.8 4.11 1106 965 A 43 GLU HBx A 39 LEU HDx% 1.0 1.8 4.11 1107 965 A 39 LEU HDy% A 43 GLU HBx 1.0 1.8 4.11 1108 966 A 40 SER H A 43 GLU HBy 1.0 1.8 3.92 1109 966 A 40 SER H A 43 GLU HBx 1.0 1.8 3.92 1110 967 A 43 GLU H A 40 SER HBx 1.0 1.8 4.65 1111 967 A 43 GLU H A 40 SER HBy 1.0 1.8 4.65 1112 968 A 42 ASP H A 41 HIS HBx 1.0 1.8 3.92 1113 968 A 42 ASP H A 41 HIS HBy 1.0 1.8 3.92 1114 969 A 66 ILE HD1% A 41 HIS HBx 1.0 1.8 4.11 1115 969 A 66 ILE HD1% A 41 HIS HBy 1.0 1.8 4.11 1116 970 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.41 1117 970 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.41 1118 971 A 43 GLU H A 42 ASP HBy 1.0 1.8 3.47 1119 971 A 43 GLU H A 42 ASP HBx 1.0 1.8 3.47 1120 972 A 43 GLU H A 43 GLU HBy 1.0 1.8 3.48 1121 972 A 43 GLU H A 43 GLU HBx 1.0 1.8 3.48 1122 973 A 43 GLU H A 43 GLU HGx 1.0 1.8 4.60 1123 973 A 43 GLU H A 43 GLU HGy 1.0 1.8 4.60 1124 974 A 43 GLU HA A 43 GLU HGx 1.0 1.8 3.52 1125 974 A 43 GLU HA A 43 GLU HGy 1.0 1.8 3.52 1126 975 A 44 VAL H A 43 GLU HBy 1.0 1.8 4.19 1127 975 A 44 VAL H A 43 GLU HBx 1.0 1.8 4.19 1128 976 A 44 VAL HG1% A 43 GLU HBy 1.0 1.8 4.71 1129 976 A 44 VAL HG1% A 43 GLU HBx 1.0 1.8 4.71 1130 977 A 44 VAL HG2% A 43 GLU HBy 1.0 1.8 5.38 1131 977 A 44 VAL HG2% A 43 GLU HBx 1.0 1.8 5.38 1132 978 A 45 LYS H A 45 LYS HGx 1.0 1.8 4.47 1133 978 A 45 LYS H A 45 LYS HGy 1.0 1.8 4.47 1134 979 A 46 ALA HB% A 47 VAL HGy% 1.0 1.8 4.09 1135 979 A 46 ALA HB% A 47 VAL HGx% 1.0 1.8 4.09 1136 980 A 47 VAL H A 47 VAL HGy% 1.0 1.8 3.27 1137 980 A 47 VAL H A 47 VAL HGx% 1.0 1.8 3.27 1138 981 A 48 ALA H A 47 VAL HGy% 1.0 1.8 3.80 1139 981 A 48 ALA H A 47 VAL HGx% 1.0 1.8 3.80 1140 982 A 48 ALA HA A 47 VAL HGy% 1.0 1.8 3.98 1141 982 A 48 ALA HA A 47 VAL HGx% 1.0 1.8 3.98 1142 983 A 51 LEU H A 47 VAL HGy% 1.0 1.8 4.38 1143 983 A 51 LEU H A 47 VAL HGx% 1.0 1.8 4.38 1144 984 A 51 LEU HB2 A 47 VAL HGy% 1.0 1.8 3.74 1145 984 A 51 LEU HB2 A 47 VAL HGx% 1.0 1.8 3.74 1146 985 A 49 ASN H A 49 ASN HBx 1.0 1.8 3.26 1147 985 A 49 ASN H A 49 ASN HBy 1.0 1.8 3.26 1148 986 A 50 GLU H A 49 ASN HBx 1.0 1.8 4.10 1149 986 A 50 GLU H A 49 ASN HBy 1.0 1.8 4.10 1150 987 A 50 GLU HA A 53 ARG HBy 1.0 1.8 4.15 1151 987 A 50 GLU HA A 53 ARG HBx 1.0 1.8 4.15 1152 988 A 51 LEU H A 50 GLU HBy 1.0 1.8 4.18 1153 988 A 51 LEU H A 50 GLU HBx 1.0 1.8 4.18 1154 989 A 50 GLU HBy A 51 LEU HDx% 1.0 1.8 5.33 1155 989 A 51 LEU HDy% A 50 GLU HBy 1.0 1.8 5.33 1156 989 A 51 LEU HDy% A 50 GLU HBx 1.0 1.8 5.33 1157 989 A 50 GLU HBx A 51 LEU HDx% 1.0 1.8 5.33 1158 990 A 51 LEU HA A 50 GLU HGx 1.0 1.8 3.99 1159 990 A 51 LEU HA A 50 GLU HGy 1.0 1.8 3.99 1160 991 A 51 LEU HB2 A 50 GLU HGx 1.0 1.8 4.08 1161 991 A 51 LEU HB2 A 50 GLU HGy 1.0 1.8 4.08 1162 992 A 50 GLU HGx A 51 LEU HDx% 1.0 1.8 4.32 1163 992 A 50 GLU HGy A 51 LEU HDx% 1.0 1.8 4.32 1164 992 A 51 LEU HDy% A 50 GLU HGx 1.0 1.8 4.32 1165 992 A 51 LEU HDy% A 50 GLU HGy 1.0 1.8 4.32 1166 993 A 51 LEU H A 51 LEU HDx% 1.0 1.8 4.35 1167 993 A 51 LEU H A 51 LEU HDy% 1.0 1.8 4.35 1168 994 A 51 LEU HA A 51 LEU HDx% 1.0 1.8 3.37 1169 994 A 51 LEU HA A 51 LEU HDy% 1.0 1.8 3.37 1170 995 A 57 PHE HEy A 51 LEU HDx% 1.0 1.8 3.64 1171 995 A 57 PHE HEy A 51 LEU HDy% 1.0 1.8 3.64 1172 996 A 52 MET H A 52 MET HBx 1.0 1.8 3.56 1173 996 A 52 MET H A 52 MET HBy 1.0 1.8 3.56 1174 997 A 53 ARG H A 52 MET HBx 1.0 1.8 4.22 1175 997 A 53 ARG H A 52 MET HBy 1.0 1.8 4.22 1176 998 A 53 ARG H A 53 ARG HGx 1.0 1.8 4.64 1177 998 A 53 ARG H A 53 ARG HGy 1.0 1.8 4.64 1178 999 A 53 ARG HA A 53 ARG HGx 1.0 1.8 3.47 1179 999 A 53 ARG HA A 53 ARG HGy 1.0 1.8 3.47 1180 1000 A 53 ARG HBy A 53 ARG HDy 1.0 1.8 3.33 1181 1000 A 53 ARG HBx A 53 ARG HDy 1.0 1.8 3.33 1182 1000 A 53 ARG HDx A 53 ARG HBy 1.0 1.8 3.33 1183 1000 A 53 ARG HBx A 53 ARG HDx 1.0 1.8 3.33 1184 1001 A 54 LEU H A 54 LEU HBx 1.0 1.8 3.57 1185 1001 A 54 LEU H A 54 LEU HBy 1.0 1.8 3.57 1186 1002 A 54 LEU H A 54 LEU HDx% 1.0 1.8 4.81 1187 1002 A 54 LEU H A 54 LEU HDy% 1.0 1.8 4.81 1188 1003 A 55 GLY H A 54 LEU HBx 1.0 1.8 3.81 1189 1003 A 55 GLY H A 54 LEU HBy 1.0 1.8 3.81 1190 1004 A 60 ILE HG2% A 58 ASP HBx 1.0 1.8 3.91 1191 1004 A 60 ILE HG2% A 58 ASP HBy 1.0 1.8 3.91 1192 1005 A 60 ILE HD1% A 58 ASP HBx 1.0 1.8 4.50 1193 1005 A 60 ILE HD1% A 58 ASP HBy 1.0 1.8 4.50 1194 1006 A 59 GLN HA A 59 GLN HGy 1.0 1.8 3.73 1195 1006 A 59 GLN HA A 59 GLN HGx 1.0 1.8 3.73 1196 1007 A 59 GLN HA A 60 ILE HG1x 1.0 1.8 5.18 1197 1007 A 59 GLN HA A 60 ILE HG1y 1.0 1.8 5.18 1198 1008 A 60 ILE H A 60 ILE HG1x 1.0 1.8 3.68 1199 1008 A 60 ILE H A 60 ILE HG1y 1.0 1.8 3.68 1200 1009 A 60 ILE HG2% A 60 ILE HG1x 1.0 1.8 3.41 1201 1009 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.8 3.41 1202 1010 A 62 ILE HD1% A 60 ILE HG1x 1.0 1.8 4.24 1203 1010 A 62 ILE HD1% A 60 ILE HG1y 1.0 1.8 4.24 1204 1011 A 64 VAL HB A 61 ASP HBy 1.0 1.8 3.94 1205 1011 A 64 VAL HB A 61 ASP HBx 1.0 1.8 3.94 1206 1012 A 61 ASP HBy A 64 VAL HGy% 1.0 1.8 3.93 1207 1012 A 61 ASP HBx A 64 VAL HGy% 1.0 1.8 3.93 1208 1012 A 64 VAL HGx% A 61 ASP HBy 1.0 1.8 3.93 1209 1012 A 61 ASP HBx A 64 VAL HGx% 1.0 1.8 3.93 1210 1013 A 62 ILE H A 62 ILE HG1x 1.0 1.8 3.31 1211 1013 A 62 ILE H A 62 ILE HG1y 1.0 1.8 3.31 1212 1014 A 62 ILE H A 65 VAL HGy% 1.0 1.8 5.49 1213 1014 A 62 ILE H A 65 VAL HGx% 1.0 1.8 5.49 1214 1015 A 62 ILE HA A 65 VAL HGy% 1.0 1.8 3.69 1215 1015 A 62 ILE HA A 65 VAL HGx% 1.0 1.8 3.69 1216 1016 A 63 GLY HAy A 66 ILE HG1y 1.0 1.8 4.46 1217 1016 A 63 GLY HAx A 66 ILE HG1y 1.0 1.8 4.46 1218 1016 A 66 ILE HG1x A 63 GLY HAx 1.0 1.8 4.46 1219 1016 A 63 GLY HAy A 66 ILE HG1x 1.0 1.8 4.46 1220 1017 A 66 ILE HD1% A 63 GLY HAx 1.0 1.8 4.43 1221 1017 A 66 ILE HD1% A 63 GLY HAy 1.0 1.8 4.43 1222 1018 A 64 VAL H A 64 VAL HGy% 1.0 1.8 3.26 1223 1018 A 64 VAL H A 64 VAL HGx% 1.0 1.8 3.26 1224 1019 A 64 VAL HA A 64 VAL HGy% 1.0 1.8 3.06 1225 1019 A 64 VAL HA A 64 VAL HGx% 1.0 1.8 3.06 1226 1020 A 65 VAL HA A 64 VAL HGy% 1.0 1.8 4.43 1227 1020 A 65 VAL HA A 64 VAL HGx% 1.0 1.8 4.43 1228 1021 A 65 VAL H A 65 VAL HGy% 1.0 1.8 3.42 1229 1021 A 65 VAL H A 65 VAL HGx% 1.0 1.8 3.42 1230 1022 A 66 ILE H A 65 VAL HGy% 1.0 1.8 3.80 1231 1022 A 66 ILE H A 65 VAL HGx% 1.0 1.8 3.80 1232 1023 A 66 ILE HA A 65 VAL HGy% 1.0 1.8 5.28 1233 1023 A 66 ILE HA A 65 VAL HGx% 1.0 1.8 5.28 1234 1024 A 67 THR H A 65 VAL HGy% 1.0 1.8 4.89 1235 1024 A 67 THR H A 65 VAL HGx% 1.0 1.8 4.89 1236 1025 A 66 ILE H A 66 ILE HG1y 1.0 1.8 3.68 1237 1025 A 66 ILE H A 66 ILE HG1x 1.0 1.8 3.68 1238 1026 A 67 THR H A 66 ILE HG1y 1.0 1.8 4.20 1239 1026 A 67 THR H A 66 ILE HG1x 1.0 1.8 4.20 1240 1027 A 68 HIS H A 68 HIS HBx 1.0 1.8 3.47 1241 1027 A 68 HIS H A 68 HIS HBy 1.0 1.8 3.47 1242 1028 A 69 PHE H A 69 PHE HBx 1.0 1.8 3.48 1243 1028 A 69 PHE H A 69 PHE HBy 1.0 1.8 3.48 1244 1029 A 70 THR H A 69 PHE HBx 1.0 1.8 3.99 1245 1029 A 70 THR H A 69 PHE HBy 1.0 1.8 3.99 1246 1030 A 69 PHE HEy A 74 PRO HDx 1.0 1.8 3.98 1247 1030 A 69 PHE HEy A 74 PRO HDy 1.0 1.8 3.98 1248 1031 A 69 PHE HDy A 74 PRO HDx 1.0 1.8 3.79 1249 1031 A 69 PHE HDy A 74 PRO HDy 1.0 1.8 3.79 1250 1032 A 70 THR H A 73 LEU HBx 1.0 1.8 4.77 1251 1032 A 70 THR H A 73 LEU HBy 1.0 1.8 4.77 1252 1033 A 72 GLU H A 72 GLU HBy 1.0 1.8 3.48 1253 1033 A 72 GLU H A 72 GLU HBx 1.0 1.8 3.48 1254 1034 A 72 GLU H A 72 GLU HGy 1.0 1.8 4.53 1255 1034 A 72 GLU H A 72 GLU HGx 1.0 1.8 4.53 1256 1035 A 72 GLU HA A 72 GLU HGy 1.0 1.8 3.72 1257 1035 A 72 GLU HGx A 72 GLU HA 1.0 1.8 3.72 1258 1036 A 73 LEU H A 72 GLU HBy 1.0 1.8 4.28 1259 1036 A 73 LEU H A 72 GLU HBx 1.0 1.8 4.28 1260 1037 A 75 SER H A 73 LEU HBx 1.0 1.8 5.02 1261 1037 A 75 SER H A 73 LEU HBy 1.0 1.8 5.02 1262 1038 A 74 PRO HB2 A 78 ASP HBy 1.0 1.8 4.41 1263 1038 A 74 PRO HB2 A 78 ASP HBx 1.0 1.8 4.41 1264 1039 A 74 PRO HB2 A 79 VAL HGy% 1.0 1.8 3.94 1265 1039 A 74 PRO HB2 A 79 VAL HGx% 1.0 1.8 3.94 1266 1040 A 74 PRO HB3 A 79 VAL HGy% 1.0 1.8 4.79 1267 1040 A 74 PRO HB3 A 79 VAL HGx% 1.0 1.8 4.79 1268 1041 A 74 PRO HG2 A 79 VAL HGy% 1.0 1.8 3.60 1269 1041 A 74 PRO HG2 A 79 VAL HGx% 1.0 1.8 3.60 1270 1042 A 74 PRO HG3 A 79 VAL HGy% 1.0 1.8 4.10 1271 1042 A 74 PRO HG3 A 79 VAL HGx% 1.0 1.8 4.10 1272 1043 A 75 SER H A 75 SER HBy 1.0 1.8 3.47 1273 1043 A 75 SER H A 75 SER HBx 1.0 1.8 3.47 1274 1044 A 75 SER H A 78 ASP HBy 1.0 1.8 4.10 1275 1044 A 75 SER H A 78 ASP HBx 1.0 1.8 4.10 1276 1045 A 75 SER H A 79 VAL HGy% 1.0 1.8 4.66 1277 1045 A 75 SER H A 79 VAL HGx% 1.0 1.8 4.66 1278 1046 A 75 SER HA A 76 PRO HDy 1.0 1.8 3.37 1279 1046 A 75 SER HA A 76 PRO HDx 1.0 1.8 3.37 1280 1047 A 75 SER HBy A 76 PRO HDy 1.0 1.8 3.70 1281 1047 A 75 SER HBx A 76 PRO HDy 1.0 1.8 3.70 1282 1047 A 76 PRO HDx A 75 SER HBy 1.0 1.8 3.70 1283 1047 A 75 SER HBx A 76 PRO HDx 1.0 1.8 3.70 1284 1048 A 77 GLU H A 75 SER HBy 1.0 1.8 4.39 1285 1048 A 77 GLU H A 75 SER HBx 1.0 1.8 4.39 1286 1049 A 76 PRO HA A 79 VAL HGy% 1.0 1.8 4.35 1287 1049 A 79 VAL HGx% A 76 PRO HA 1.0 1.8 4.35 1288 1050 A 77 GLU H A 76 PRO HGy 1.0 1.8 4.04 1289 1050 A 77 GLU H A 76 PRO HGx 1.0 1.8 4.04 1290 1051 A 77 GLU H A 76 PRO HDy 1.0 1.8 4.41 1291 1051 A 77 GLU H A 76 PRO HDx 1.0 1.8 4.41 1292 1052 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.28 1293 1052 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.28 1294 1053 A 77 GLU HA A 77 GLU HGx 1.0 1.8 3.29 1295 1053 A 77 GLU HA A 77 GLU HGy 1.0 1.8 3.29 1296 1054 A 77 GLU HA A 80 GLU HBy 1.0 1.8 3.48 1297 1054 A 77 GLU HA A 80 GLU HBx 1.0 1.8 3.48 1298 1055 A 78 ASP H A 78 ASP HBy 1.0 1.8 3.39 1299 1055 A 78 ASP H A 78 ASP HBx 1.0 1.8 3.39 1300 1056 A 78 ASP HBy A 79 VAL HGy% 1.0 1.8 4.18 1301 1056 A 78 ASP HBx A 79 VAL HGy% 1.0 1.8 4.18 1302 1056 A 79 VAL HGx% A 78 ASP HBy 1.0 1.8 4.18 1303 1056 A 79 VAL HGx% A 78 ASP HBx 1.0 1.8 4.18 1304 1057 A 79 VAL HA A 79 VAL HGy% 1.0 1.8 2.99 1305 1057 A 79 VAL HA A 79 VAL HGx% 1.0 1.8 2.99 1306 1058 A 80 GLU H A 79 VAL HGy% 1.0 1.8 3.91 1307 1058 A 80 GLU H A 79 VAL HGx% 1.0 1.8 3.91 1308 1059 A 80 GLU H A 80 GLU HBy 1.0 1.8 3.12 1309 1059 A 80 GLU H A 80 GLU HBx 1.0 1.8 3.12 1310 1060 A 80 GLU H A 80 GLU HGx 1.0 1.8 4.17 1311 1060 A 80 GLU H A 80 GLU HGy 1.0 1.8 4.17 1312 1061 A 80 GLU HA A 83 ARG HBy 1.0 1.8 3.09 1313 1061 A 80 GLU HA A 83 ARG HBx 1.0 1.8 3.09 1314 1062 A 81 ARG H A 80 GLU HBy 1.0 1.8 3.40 1315 1062 A 81 ARG H A 80 GLU HBx 1.0 1.8 3.40 1316 1063 A 81 ARG H A 81 ARG HBy 1.0 1.8 3.13 1317 1063 A 81 ARG H A 81 ARG HBx 1.0 1.8 3.13 1318 1064 A 81 ARG HA A 81 ARG HGx 1.0 1.8 3.22 1319 1064 A 81 ARG HA A 81 ARG HGy 1.0 1.8 3.22 1320 1065 A 82 VAL H A 81 ARG HBy 1.0 1.8 3.96 1321 1065 A 82 VAL H A 81 ARG HBx 1.0 1.8 3.96 1322 1066 A 82 VAL HA A 85 ARG HBx 1.0 1.8 3.90 1323 1066 A 82 VAL HA A 85 ARG HBy 1.0 1.8 3.90 1324 1067 A 82 VAL HG1% A 83 ARG HBy 1.0 1.8 3.74 1325 1067 A 82 VAL HG1% A 83 ARG HBx 1.0 1.8 3.74 1326 1068 A 83 ARG H A 83 ARG HBy 1.0 1.8 3.22 1327 1068 A 83 ARG H A 83 ARG HBx 1.0 1.8 3.22 1328 1069 A 83 ARG HA A 83 ARG HGx 1.0 1.8 3.61 1329 1069 A 83 ARG HA A 83 ARG HGy 1.0 1.8 3.61 1330 1070 A 83 ARG HA A 86 LEU HB3 1.0 1.8 4.85 1331 1070 A 83 ARG HA A 86 LEU HB2 1.0 1.8 4.85 1332 1071 A 91 TRP HH2 A 83 ARG HBy 1.0 1.8 4.25 1333 1071 A 91 TRP HH2 A 83 ARG HBx 1.0 1.8 4.25 1334 1072 A 84 ALA H A 83 ARG HGx 1.0 1.8 4.59 1335 1072 A 84 ALA H A 83 ARG HGy 1.0 1.8 4.59 1336 1073 A 91 TRP HH2 A 83 ARG HGx 1.0 1.8 3.61 1337 1073 A 91 TRP HH2 A 83 ARG HGy 1.0 1.8 3.61 1338 1074 A 85 ARG H A 85 ARG HBx 1.0 1.8 3.00 1339 1074 A 85 ARG H A 85 ARG HBy 1.0 1.8 3.00 1340 1075 A 85 ARG H A 85 ARG HGy 1.0 1.8 4.65 1341 1075 A 85 ARG H A 85 ARG HGx 1.0 1.8 4.65 1342 1076 A 85 ARG HA A 85 ARG HGy 1.0 1.8 3.43 1343 1076 A 85 ARG HA A 85 ARG HGx 1.0 1.8 3.43 1344 1077 A 85 ARG HBy A 85 ARG HDx 1.0 1.8 3.22 1345 1077 A 85 ARG HBx A 85 ARG HDx 1.0 1.8 3.22 1346 1077 A 85 ARG HDy A 85 ARG HBx 1.0 1.8 3.22 1347 1077 A 85 ARG HBy A 85 ARG HDy 1.0 1.8 3.22 1348 1078 A 86 LEU H A 85 ARG HBx 1.0 1.8 3.99 1349 1078 A 86 LEU H A 85 ARG HBy 1.0 1.8 3.99 1350 1079 A 86 LEU H A 85 ARG HGy 1.0 1.8 5.39 1351 1079 A 86 LEU H A 85 ARG HGx 1.0 1.8 5.39 1352 1080 A 86 LEU H A 86 LEU HB3 1.0 1.8 3.35 1353 1080 A 86 LEU H A 86 LEU HB2 1.0 1.8 3.35 1354 1081 A 87 ALA H A 86 LEU HB3 1.0 1.8 4.31 1355 1081 A 87 ALA H A 86 LEU HB2 1.0 1.8 4.31 1356 1082 A 91 TRP HZ3 A 86 LEU HB3 1.0 1.8 4.42 1357 1082 A 91 TRP HZ3 A 86 LEU HB2 1.0 1.8 4.42 1358 1083 A 91 TRP HH2 A 86 LEU HB3 1.0 1.8 4.76 1359 1083 A 91 TRP HH2 A 86 LEU HB2 1.0 1.8 4.76 1360 1084 A 88 ALA HB% A 89 GLN HBy 1.0 1.8 4.36 1361 1084 A 88 ALA HB% A 89 GLN HBx 1.0 1.8 4.36 1362 1085 A 89 GLN H A 89 GLN HBy 1.0 1.8 3.47 1363 1085 A 89 GLN H A 89 GLN HBx 1.0 1.8 3.47 1364 1086 A 89 GLN H A 89 GLN HGx 1.0 1.8 4.28 1365 1086 A 89 GLN H A 89 GLN HGy 1.0 1.8 4.28 1366 1087 A 89 GLN HA A 89 GLN HGx 1.0 1.8 3.72 1367 1087 A 89 GLN HA A 89 GLN HGy 1.0 1.8 3.72 1368 1088 A 89 GLN HE2x A 89 GLN HBy 1.0 1.8 4.19 1369 1088 A 89 GLN HE2y A 89 GLN HBx 1.0 1.8 4.19 1370 1088 A 89 GLN HE2y A 89 GLN HBy 1.0 1.8 4.19 1371 1088 A 89 GLN HE2x A 89 GLN HBx 1.0 1.8 4.19 1372 1089 A 90 GLY H A 89 GLN HBy 1.0 1.8 4.49 1373 1089 A 90 GLY H A 89 GLN HBx 1.0 1.8 4.49 1374 1090 A 89 GLN HE2y A 89 GLN HGy 1.0 1.8 3.11 1375 1090 A 89 GLN HE2y A 89 GLN HGx 1.0 1.8 3.11 1376 1090 A 89 GLN HE2x A 89 GLN HGy 1.0 1.8 3.11 1377 1090 A 89 GLN HE2x A 89 GLN HGx 1.0 1.8 3.11 1378 1091 A 91 TRP HA A 92 PRO HDx 1.0 1.8 3.45 1379 1091 A 91 TRP HA A 92 PRO HDy 1.0 1.8 3.45 1380 1092 A 91 TRP HD1 A 91 TRP HBy 1.0 1.8 3.37 1381 1092 A 91 TRP HD1 A 91 TRP HBx 1.0 1.8 3.37 1382 1093 A 91 TRP HD1 A 93 LEU HBx 1.0 1.8 4.15 1383 1093 A 91 TRP HD1 A 93 LEU HBy 1.0 1.8 4.15 1384 1094 A 91 TRP HD1 A 94 ASP HBy 1.0 1.8 4.27 1385 1094 A 91 TRP HD1 A 94 ASP HBx 1.0 1.8 4.27 1386 1095 A 91 TRP HE1 A 93 LEU HBx 1.0 1.8 3.77 1387 1095 A 91 TRP HE1 A 93 LEU HBy 1.0 1.8 3.77 1388 1096 A 91 TRP HE1 A 93 LEU HDx% 1.0 1.8 4.44 1389 1096 A 91 TRP HE1 A 93 LEU HDy% 1.0 1.8 4.44 1390 1097 A 91 TRP HZ2 A 93 LEU HDx% 1.0 1.8 3.76 1391 1097 A 91 TRP HZ2 A 93 LEU HDy% 1.0 1.8 3.76 1392 1098 A 91 TRP HH2 A 93 LEU HDx% 1.0 1.8 4.40 1393 1098 A 91 TRP HH2 A 93 LEU HDy% 1.0 1.8 4.40 1394 1099 A 93 LEU HA A 93 LEU HDx% 1.0 1.8 3.46 1395 1099 A 93 LEU HDy% A 93 LEU HA 1.0 1.8 3.46 1396 1100 A 94 ASP H A 93 LEU HBx 1.0 1.8 4.23 1397 1100 A 94 ASP H A 93 LEU HBy 1.0 1.8 4.23 1398 1101 A 94 ASP H A 94 ASP HBy 1.0 1.8 3.52 1399 1101 A 94 ASP H A 94 ASP HBx 1.0 1.8 3.52 1400 1102 A 95 ASP H A 95 ASP HBx 1.0 1.8 3.32 1401 1102 A 95 ASP H A 95 ASP HBy 1.0 1.8 3.32 1402 1103 A 95 ASP HA A 96 VAL HGy% 1.0 1.8 4.32 1403 1103 A 95 ASP HA A 96 VAL HGx% 1.0 1.8 4.32 1404 1104 A 96 VAL H A 95 ASP HBx 1.0 1.8 3.41 1405 1104 A 96 VAL H A 95 ASP HBy 1.0 1.8 3.41 1406 1105 A 96 VAL H A 96 VAL HGy% 1.0 1.8 2.86 1407 1105 A 96 VAL H A 96 VAL HGx% 1.0 1.8 2.86 1408 1106 A 96 VAL HA A 96 VAL HGy% 1.0 1.8 3.12 1409 1106 A 96 VAL HA A 96 VAL HGx% 1.0 1.8 3.12 1410 1107 A 97 ARG H A 96 VAL HGy% 1.0 1.8 4.38 1411 1107 A 97 ARG H A 96 VAL HGx% 1.0 1.8 4.38 1412 1108 A 98 ASP H A 96 VAL HGy% 1.0 1.8 5.12 1413 1108 A 98 ASP H A 96 VAL HGx% 1.0 1.8 5.12 1414 1109 A 97 ARG H A 97 ARG HBy 1.0 1.8 3.30 1415 1109 A 97 ARG H A 97 ARG HBx 1.0 1.8 3.30 1416 1110 A 97 ARG H A 97 ARG HGy 1.0 1.8 3.49 1417 1110 A 97 ARG H A 97 ARG HGx 1.0 1.8 3.49 1418 1111 A 97 ARG HA A 97 ARG HGy 1.0 1.8 3.66 1419 1111 A 97 ARG HA A 97 ARG HGx 1.0 1.8 3.66 1420 1112 A 98 ASP H A 97 ARG HBy 1.0 1.8 3.81 1421 1112 A 98 ASP H A 97 ARG HBx 1.0 1.8 3.81 1422 1113 A 99 ARG H A 98 ASP HBx 1.0 1.8 4.32 1423 1113 A 99 ARG H A 98 ASP HBy 1.0 1.8 4.32 1424 1114 A 100 GLU H A 100 GLU HBx 1.0 1.8 3.63 1425 1114 A 100 GLU H A 100 GLU HBy 1.0 1.8 3.63 1426 1115 A 100 GLU H A 101 GLU HGy 1.0 1.8 4.61 1427 1115 A 100 GLU H A 101 GLU HGx 1.0 1.8 4.61 1428 1116 A 100 GLU HA A 100 GLU HGx 1.0 1.8 3.68 1429 1116 A 100 GLU HA A 100 GLU HGy 1.0 1.8 3.68 1430 1117 A 100 GLU HA A 101 GLU HGy 1.0 1.8 4.30 1431 1117 A 100 GLU HA A 101 GLU HGx 1.0 1.8 4.30 1432 1118 A 102 HIS H A 101 GLU HGy 1.0 1.8 4.70 1433 1118 A 101 GLU HGx A 102 HIS H 1.0 1.8 4.70 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 ILE H A 7 PHE O 1.0 0.2 2.0 2 2 A 7 PHE O A 11 ILE N 1.0 0.3 3.0 3 3 A 12 VAL H A 8 LEU O 1.0 0.2 2.0 4 4 A 8 LEU O A 12 VAL N 1.0 0.3 3.0 5 5 A 13 ALA H A 9 THR O 1.0 0.2 2.0 6 6 A 9 THR O A 13 ALA N 1.0 0.3 3.0 7 7 A 14 TRP H A 10 SER O 1.0 0.2 2.0 8 8 A 10 SER O A 14 TRP N 1.0 0.3 3.0 9 9 A 15 LEU H A 11 ILE O 1.0 0.2 2.0 10 10 A 11 ILE O A 15 LEU N 1.0 0.3 3.0 11 11 A 16 ARG H A 12 VAL O 1.0 0.2 2.0 12 12 A 12 VAL O A 16 ARG N 1.0 0.3 3.0 13 13 A 17 ALA H A 13 ALA O 1.0 0.2 2.0 14 14 A 13 ALA O A 17 ALA N 1.0 0.3 3.0 15 15 A 18 GLY H A 14 TRP O 1.0 0.2 2.0 16 16 A 14 TRP O A 18 GLY N 1.0 0.3 3.0 17 17 A 19 TYR H A 16 ARG O 1.0 0.0 2.2 18 18 A 16 ARG O A 19 TYR N 1.0 0.5 3.2 19 19 A 22 GLY H A 19 TYR O 1.0 0.0 2.2 20 20 A 19 TYR O A 22 GLY N 1.0 0.5 3.2 21 21 A 31 VAL H A 27 ASP O 1.0 0.2 2.0 22 22 A 27 ASP O A 31 VAL N 1.0 0.3 3.0 23 23 A 32 LEU H A 28 SER O 1.0 0.2 2.0 24 24 A 28 SER O A 32 LEU N 1.0 0.3 3.0 25 25 A 33 ALA H A 29 PHE O 1.0 0.2 2.0 26 26 A 29 PHE O A 33 ALA N 1.0 0.3 3.0 27 27 A 34 LEU H A 30 ALA O 1.0 0.2 2.0 28 28 A 30 ALA O A 34 LEU N 1.0 0.3 3.0 29 29 A 35 LEU H A 31 VAL O 1.0 0.2 2.0 30 30 A 31 VAL O A 35 LEU N 1.0 0.3 3.0 31 31 A 36 CYS H A 32 LEU O 1.0 0.2 2.0 32 32 A 32 LEU O A 36 CYS N 1.0 0.3 3.0 33 33 A 39 LEU H A 35 LEU O 1.0 0.0 2.2 34 34 A 35 LEU O A 39 LEU N 1.0 0.5 3.2 35 35 A 44 VAL H A 40 SER O 1.0 0.2 2.0 36 36 A 40 SER O A 44 VAL N 1.0 0.3 3.0 37 37 A 45 LYS H A 41 HIS O 1.0 0.2 2.0 38 38 A 41 HIS O A 45 LYS N 1.0 0.3 3.0 39 39 A 46 ALA H A 42 ASP O 1.0 0.2 2.0 40 40 A 42 ASP O A 46 ALA N 1.0 0.3 3.0 41 41 A 47 VAL H A 43 GLU O 1.0 0.2 2.0 42 42 A 43 GLU O A 47 VAL N 1.0 0.3 3.0 43 43 A 48 ALA H A 44 VAL O 1.0 0.2 2.0 44 44 A 44 VAL O A 48 ALA N 1.0 0.3 3.0 45 45 A 50 GLU H A 46 ALA O 1.0 0.2 2.0 46 46 A 46 ALA O A 50 GLU N 1.0 0.3 3.0 47 47 A 51 LEU H A 47 VAL O 1.0 0.2 2.0 48 48 A 47 VAL O A 51 LEU N 1.0 0.3 3.0 49 49 A 52 MET H A 48 ALA O 1.0 0.2 2.0 50 50 A 48 ALA O A 52 MET N 1.0 0.3 3.0 51 51 A 75 SER O A 79 VAL H 1.0 0.2 2.0 52 52 A 75 SER O A 79 VAL N 1.0 0.3 3.0 53 53 A 80 GLU H A 76 PRO O 1.0 0.2 2.0 54 54 A 76 PRO O A 80 GLU N 1.0 0.3 3.0 55 55 A 82 VAL H A 78 ASP O 1.0 0.2 2.0 56 56 A 78 ASP O A 82 VAL N 1.0 0.3 3.0 57 57 A 83 ARG H A 79 VAL O 1.0 0.2 2.0 58 58 A 79 VAL O A 83 ARG N 1.0 0.3 3.0 59 59 A 84 ALA H A 80 GLU O 1.0 0.2 2.0 60 60 A 80 GLU O A 84 ALA N 1.0 0.3 3.0 61 61 A 85 ARG H A 81 ARG O 1.0 0.2 2.0 62 62 A 81 ARG O A 85 ARG N 1.0 0.3 3.0 63 63 A 86 LEU H A 82 VAL O 1.0 0.2 2.0 64 64 A 82 VAL O A 86 LEU N 1.0 0.3 3.0 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 2 SER C A 3 HIS N A 3 HIS CA A 3 HIS C 1.0 -152.1 -63.1 PHI 2 2 A 3 HIS N A 3 HIS CA A 3 HIS C A 4 MET N 1.0 124.8 176.8 PSI 3 3 A 3 HIS C A 4 MET N A 4 MET CA A 4 MET C 1.0 -75.4 -53.0 PHI 4 4 A 4 MET N A 4 MET CA A 4 MET C A 5 ASN N 1.0 -66.3 -12.3 PSI 5 5 A 4 MET C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -73.9 -53.9 PHI 6 6 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 ARG N 1.0 -49.3 -29.3 PSI 7 7 A 5 ASN C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -77.7 -52.3 PHI 8 8 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PHE N 1.0 -54.2 -27.6 PSI 9 9 A 6 ARG C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -76.4 -56.4 PHI 10 10 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 LEU N 1.0 -54.1 -31.9 PSI 11 11 A 7 PHE C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -71.7 -51.7 PHI 12 12 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 THR N 1.0 -59.0 -25.2 PSI 13 13 A 8 LEU C A 9 THR N A 9 THR CA A 9 THR C 1.0 -75.7 -55.7 PHI 14 14 A 9 THR N A 9 THR CA A 9 THR C A 10 SER N 1.0 -48.9 -28.9 PSI 15 15 A 9 THR C A 10 SER N A 10 SER CA A 10 SER C 1.0 -77.0 -57.0 PHI 16 16 A 10 SER N A 10 SER CA A 10 SER C A 11 ILE N 1.0 -55.1 -26.5 PSI 17 17 A 10 SER C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -85.7 -43.9 PHI 18 18 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 VAL N 1.0 -53.1 -32.7 PSI 19 19 A 11 ILE C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -72.5 -52.5 PHI 20 20 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 ALA N 1.0 -55.6 -34.6 PSI 21 21 A 12 VAL C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -74.9 -51.5 PHI 22 22 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 TRP N 1.0 -52.4 -23.0 PSI 23 23 A 13 ALA C A 14 TRP N A 14 TRP CA A 14 TRP C 1.0 -77.2 -57.2 PHI 24 24 A 14 TRP N A 14 TRP CA A 14 TRP C A 15 LEU N 1.0 -54.7 -30.5 PSI 25 25 A 14 TRP C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -74.1 -50.5 PHI 26 26 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ARG N 1.0 -55.8 -32.8 PSI 27 27 A 15 LEU C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -70.8 -50.8 PHI 28 28 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ALA N 1.0 -52.0 -28.2 PSI 29 29 A 16 ARG C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -88.4 -51.0 PHI 30 30 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 GLY N 1.0 -40.7 -20.7 PSI 31 31 A 22 GLY C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -121.3 -44.1 PHI 32 32 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 PRO N 1.0 78.9 165.9 PSI 33 33 A 25 PRO C A 26 THR N A 26 THR CA A 26 THR C 1.0 -115.8 -45.4 PHI 34 34 A 26 THR N A 26 THR CA A 26 THR C A 27 ASP N 1.0 -65.8 10.6 PSI 35 35 A 27 ASP C A 28 SER N A 28 SER CA A 28 SER C 1.0 -77.5 -31.7 PHI 36 36 A 28 SER N A 28 SER CA A 28 SER C A 29 PHE N 1.0 -57.0 -24.2 PSI 37 37 A 28 SER C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -85.1 -51.7 PHI 38 38 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 ALA N 1.0 -49.7 -26.5 PSI 39 39 A 29 PHE C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -73.8 -53.8 PHI 40 40 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 VAL N 1.0 -55.7 -35.7 PSI 41 41 A 30 ALA C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -71.9 -51.9 PHI 42 42 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 LEU N 1.0 -59.6 -30.4 PSI 43 43 A 31 VAL C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -71.2 -51.0 PHI 44 44 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ALA N 1.0 -49.0 -28.8 PSI 45 45 A 32 LEU C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -72.9 -52.9 PHI 46 46 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 LEU N 1.0 -52.5 -32.5 PSI 47 47 A 33 ALA C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -71.2 -51.2 PHI 48 48 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 LEU N 1.0 -56.3 -34.9 PSI 49 49 A 34 LEU C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -69.2 -49.2 PHI 50 50 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 CYS N 1.0 -57.8 -22.6 PSI 51 51 A 35 LEU C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -89.7 -43.5 PHI 52 52 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 ARG N 1.0 -60.9 -14.7 PSI 53 53 A 36 CYS C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -104.0 -57.6 PHI 54 54 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ARG N 1.0 -54.7 -0.7 PSI 55 55 A 39 LEU C A 40 SER N A 40 SER CA A 40 SER C 1.0 -127.8 -42.4 PHI 56 56 A 40 SER N A 40 SER CA A 40 SER C A 41 HIS N 1.0 149.4 178.2 PSI 57 57 A 40 SER C A 41 HIS N A 41 HIS CA A 41 HIS C 1.0 -71.8 -51.8 PHI 58 58 A 41 HIS N A 41 HIS CA A 41 HIS C A 42 ASP N 1.0 -49.8 -22.6 PSI 59 59 A 41 HIS C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -76.5 -49.3 PHI 60 60 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 GLU N 1.0 -54.4 -26.6 PSI 61 61 A 42 ASP C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -81.0 -51.8 PHI 62 62 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 VAL N 1.0 -58.3 -30.5 PSI 63 63 A 43 GLU C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -70.7 -50.7 PHI 64 64 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 LYS N 1.0 -57.1 -32.5 PSI 65 65 A 44 VAL C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -70.5 -50.5 PHI 66 66 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 ALA N 1.0 -53.1 -33.1 PSI 67 67 A 45 LYS C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -72.9 -52.9 PHI 68 68 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 VAL N 1.0 -57.7 -34.5 PSI 69 69 A 46 ALA C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -74.7 -52.3 PHI 70 70 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 ALA N 1.0 -53.9 -33.9 PSI 71 71 A 47 VAL C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -71.0 -47.6 PHI 72 72 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ASN N 1.0 -52.7 -29.7 PSI 73 73 A 48 ALA C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -75.5 -55.5 PHI 74 74 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 GLU N 1.0 -52.1 -25.3 PSI 75 75 A 49 ASN C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -77.4 -54.4 PHI 76 76 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 LEU N 1.0 -54.2 -29.8 PSI 77 77 A 50 GLU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -79.8 -48.0 PHI 78 78 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 MET N 1.0 -48.3 -28.3 PSI 79 79 A 51 LEU C A 52 MET N A 52 MET CA A 52 MET C 1.0 -74.9 -54.9 PHI 80 80 A 52 MET N A 52 MET CA A 52 MET C A 53 ARG N 1.0 -51.3 -31.3 PSI 81 81 A 52 MET C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -72.6 -52.6 PHI 82 82 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 LEU N 1.0 -53.4 -6.6 PSI 83 83 A 53 ARG C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -107.4 -66.2 PHI 84 84 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 GLY N 1.0 -32.3 29.5 PSI 85 85 A 60 ILE C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -112.7 -64.5 PHI 86 86 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ILE N 1.0 87.7 165.9 PSI 87 87 A 61 ASP C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -97.5 -25.5 PHI 88 88 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 GLY N 1.0 -59.0 -0.8 PSI 89 89 A 63 GLY C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -81.9 -49.7 PHI 90 90 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 VAL N 1.0 -55.0 -35.0 PSI 91 91 A 64 VAL C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -86.5 -45.5 PHI 92 92 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 ILE N 1.0 -54.5 -28.7 PSI 93 93 A 65 VAL C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -80.2 -41.8 PHI 94 94 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 THR N 1.0 -49.2 -5.8 PSI 95 95 A 66 ILE C A 67 THR N A 67 THR CA A 67 THR C 1.0 -134.3 -53.3 PHI 96 96 A 67 THR N A 67 THR CA A 67 THR C A 68 HIS N 1.0 -26.3 14.9 PSI 97 97 A 68 HIS C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -139.9 -53.1 PHI 98 98 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 THR N 1.0 101.4 184.6 PSI 99 99 A 69 PHE C A 70 THR N A 70 THR CA A 70 THR C 1.0 -168.0 -54.0 PHI 100 100 A 70 THR N A 70 THR CA A 70 THR C A 71 ASP N 1.0 152.8 191.6 PSI 101 101 A 71 ASP C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -125.0 -70.8 PHI 102 102 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 LEU N 1.0 -43.3 31.9 PSI 103 103 A 72 GLU C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -147.5 -75.7 PHI 104 104 A 73 LEU N A 73 LEU CA A 73 LEU C A 74 PRO N 1.0 105.8 165.8 PSI 105 105 A 74 PRO C A 75 SER N A 75 SER CA A 75 SER C 1.0 -138.2 -28.6 PHI 106 106 A 75 SER N A 75 SER CA A 75 SER C A 76 PRO N 1.0 75.1 175.7 PSI 107 107 A 76 PRO C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -75.5 -50.1 PHI 108 108 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 ASP N 1.0 -55.7 -17.3 PSI 109 109 A 77 GLU C A 78 ASP N A 78 ASP CA A 78 ASP C 1.0 -73.4 -53.4 PHI 110 110 A 78 ASP N A 78 ASP CA A 78 ASP C A 79 VAL N 1.0 -53.2 -33.2 PSI 111 111 A 78 ASP C A 79 VAL N A 79 VAL CA A 79 VAL C 1.0 -73.9 -53.9 PHI 112 112 A 79 VAL N A 79 VAL CA A 79 VAL C A 80 GLU N 1.0 -54.0 -34.0 PSI 113 113 A 79 VAL C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -75.0 -55.0 PHI 114 114 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ARG N 1.0 -53.1 -22.3 PSI 115 115 A 80 GLU C A 81 ARG N A 81 ARG CA A 81 ARG C 1.0 -77.6 -45.6 PHI 116 116 A 81 ARG N A 81 ARG CA A 81 ARG C A 82 VAL N 1.0 -67.0 -21.4 PSI 117 117 A 81 ARG C A 82 VAL N A 82 VAL CA A 82 VAL C 1.0 -79.1 -49.7 PHI 118 118 A 82 VAL N A 82 VAL CA A 82 VAL C A 83 ARG N 1.0 -55.1 -30.5 PSI 119 119 A 82 VAL C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -70.7 -50.7 PHI 120 120 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 ALA N 1.0 -56.6 -36.6 PSI 121 121 A 83 ARG C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -75.4 -49.0 PHI 122 122 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 ARG N 1.0 -58.7 -22.1 PSI 123 123 A 84 ALA C A 85 ARG N A 85 ARG CA A 85 ARG C 1.0 -75.9 -51.7 PHI 124 124 A 85 ARG N A 85 ARG CA A 85 ARG C A 86 LEU N 1.0 -56.2 -32.0 PSI 125 125 A 85 ARG C A 86 LEU N A 86 LEU CA A 86 LEU C 1.0 -87.7 -44.5 PHI 126 126 A 86 LEU N A 86 LEU CA A 86 LEU C A 87 ALA N 1.0 -61.2 -13.4 PSI 127 127 A 86 LEU C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -79.0 -50.2 PHI 128 128 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 ALA N 1.0 -53.2 -24.2 PSI 129 129 A 87 ALA C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -85.3 -52.1 PHI 130 130 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 GLN N 1.0 -47.1 -4.7 PSI 131 131 A 88 ALA C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -127.8 -62.6 PHI 132 132 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 GLY N 1.0 -43.4 31.4 PSI stop_ save_