data_nef_c18032_2ll8 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 37 SER OG 2 1 PNS P24 stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 THR middle . . 3 A 3 SER middle . . 4 A 4 THR middle . . 5 A 5 PHE middle . . 6 A 6 ASP middle . . 7 A 7 ARG middle . . 8 A 8 VAL middle . . 9 A 9 ALA middle . . 10 A 10 THR middle . . 11 A 11 ILE middle . . 12 A 12 ILE middle . . 13 A 13 ALA middle . . 14 A 14 GLU middle . . 15 A 15 THR middle . . 16 A 16 CYS middle . . 17 A 17 ASP middle . . 18 A 18 ILE middle . . 19 A 19 PRO middle . false 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 THR middle . . 23 A 23 ILE middle . . 24 A 24 THR middle . . 25 A 25 PRO middle . false 26 A 26 GLU middle . . 27 A 27 SER middle . . 28 A 28 HIS middle . . 29 A 29 ALA middle . . 30 A 30 ILE middle . . 31 A 31 ASP middle . . 32 A 32 ASP middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 ILE middle . . 36 A 36 ASP middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 ASP middle . . 40 A 40 PHE middle . . 41 A 41 LEU middle . . 42 A 42 ASP middle . . 43 A 43 ILE middle . . 44 A 44 ALA middle . . 45 A 45 PHE middle . . 46 A 46 ALA middle . . 47 A 47 ILE middle . . 48 A 48 ASP middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 PHE middle . . 52 A 52 GLY middle . false 53 A 53 ILE middle . . 54 A 54 LYS middle . . 55 A 55 LEU middle . . 56 A 56 PRO middle . false 57 A 57 LEU middle . . 58 A 58 GLU middle . . 59 A 59 LYS middle . . 60 A 60 TRP middle . . 61 A 61 THR middle . . 62 A 62 GLN middle . . 63 A 63 GLU middle . . 64 A 64 VAL middle . . 65 A 65 ASN middle . . 66 A 66 ASP middle . . 67 A 67 GLY middle . false 68 A 68 LYS middle . . 69 A 69 ALA middle . . 70 A 70 THR middle . . 71 A 71 THR middle . . 72 A 72 GLU middle . . 73 A 73 GLN middle . . 74 A 74 TYR middle . . 75 A 75 PHE middle . . 76 A 76 VAL middle . . 77 A 77 LEU middle . . 78 A 78 LYS middle . . 79 A 79 ASN middle . . 80 A 80 LEU middle . . 81 A 81 ALA middle . . 82 A 82 ALA middle . . 83 A 83 ARG middle . . 84 A 84 ILE middle . . 85 A 85 ASP middle . . 86 A 86 GLU middle . . 87 A 87 LEU middle . . 88 A 88 VAL middle . . 89 A 89 ALA middle . . 90 A 90 ALA middle . . 91 A 91 LYS middle . . 92 A 92 GLY middle . false 93 A 93 ALA middle . . 94 A 94 LEU middle . . 95 A 95 GLU middle . . 96 A 96 HIS middle . . 97 A 97 HIS middle . . 98 A 98 HIS middle . . 99 A 99 HIS middle . . 100 A 100 HIS middle . . 101 A 101 HIS end . . 102 B 1 PNS . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.11 0.02 A 1 MET HBx H 1 2.66 0.02 A 1 MET HBy H 1 2.66 0.02 A 1 MET HE% H 1 2.13 0.02 A 1 MET HGx H 1 2.16 0.02 A 1 MET HGy H 1 2.16 0.02 A 1 MET CA C 13 55.5 0.2 A 1 MET CB C 13 31.2 0.2 A 1 MET CE C 13 16.9 0.2 A 1 MET CG C 13 33.8 0.2 A 2 THR HA H 1 4.58 0.02 A 2 THR HB H 1 4.29 0.02 A 2 THR HG2% H 1 1.34 0.02 A 2 THR C C 13 174.5 0.2 A 2 THR CA C 13 61.7 0.2 A 2 THR CB C 13 70.4 0.2 A 2 THR CG2 C 13 22.0 0.2 A 3 SER H H 1 9.09 0.02 A 3 SER HA H 1 4.77 0.02 A 3 SER HBy H 1 4.39 0.02 A 3 SER HBx H 1 4.15 0.02 A 3 SER C C 13 175.1 0.2 A 3 SER CA C 13 58.3 0.2 A 3 SER CB C 13 65.0 0.2 A 3 SER N N 15 120.6 0.2 A 4 THR H H 1 8.89 0.02 A 4 THR HA H 1 4.23 0.02 A 4 THR HB H 1 4.03 0.02 A 4 THR HG2% H 1 1.15 0.02 A 4 THR C C 13 176.2 0.2 A 4 THR CA C 13 67.7 0.2 A 4 THR CB C 13 67.5 0.2 A 4 THR CG2 C 13 23.0 0.2 A 4 THR N N 15 120.5 0.2 A 5 PHE H H 1 9.11 0.02 A 5 PHE HA H 1 3.80 0.02 A 5 PHE HBy H 1 3.17 0.02 A 5 PHE HBx H 1 2.90 0.02 A 5 PHE HDx H 1 7.01 0.02 A 5 PHE HDy H 1 7.01 0.02 A 5 PHE HEx H 1 7.18 0.02 A 5 PHE HEy H 1 7.18 0.02 A 5 PHE HZ H 1 6.89 0.02 A 5 PHE CA C 13 62.7 0.2 A 5 PHE CB C 13 38.7 0.2 A 5 PHE CDx C 13 131.8 0.2 A 5 PHE CDy C 13 131.8 0.2 A 5 PHE CEx C 13 131.2 0.2 A 5 PHE CEy C 13 131.2 0.2 A 5 PHE CZ C 13 128.8 0.2 A 5 PHE N N 15 121.1 0.2 A 6 ASP H H 1 8.12 0.02 A 6 ASP HA H 1 3.84 0.02 A 6 ASP HBy H 1 2.85 0.02 A 6 ASP HBx H 1 2.66 0.02 A 6 ASP C C 13 179.2 0.2 A 6 ASP CA C 13 57.9 0.2 A 6 ASP CB C 13 40.9 0.2 A 6 ASP N N 15 119.8 0.2 A 7 ARG H H 1 8.02 0.02 A 7 ARG HA H 1 4.07 0.02 A 7 ARG HBy H 1 2.16 0.02 A 7 ARG HBx H 1 2.03 0.02 A 7 ARG HDy H 1 3.16 0.02 A 7 ARG HDx H 1 3.00 0.02 A 7 ARG HE H 1 7.10 0.02 A 7 ARG HGy H 1 1.91 0.02 A 7 ARG HGx H 1 1.62 0.02 A 7 ARG C C 13 179.4 0.2 A 7 ARG CA C 13 59.3 0.2 A 7 ARG CB C 13 31.1 0.2 A 7 ARG CD C 13 43.6 0.2 A 7 ARG CG C 13 27.1 0.2 A 7 ARG N N 15 119.2 0.2 A 7 ARG NE N 15 83.8 0.2 A 8 VAL H H 1 8.52 0.02 A 8 VAL HA H 1 3.51 0.02 A 8 VAL HB H 1 2.10 0.02 A 8 VAL HG1% H 1 0.83 0.02 A 8 VAL HG2% H 1 0.98 0.02 A 8 VAL C C 13 176.8 0.2 A 8 VAL CA C 13 67.0 0.2 A 8 VAL CB C 13 31.6 0.2 A 8 VAL CG1 C 13 21.7 0.2 A 8 VAL CG2 C 13 24.6 0.2 A 8 VAL N N 15 120.6 0.2 A 9 ALA H H 1 8.92 0.02 A 9 ALA HA H 1 3.67 0.02 A 9 ALA HB% H 1 0.85 0.02 A 9 ALA C C 13 179.0 0.2 A 9 ALA CA C 13 55.8 0.2 A 9 ALA CB C 13 17.2 0.2 A 9 ALA N N 15 122.8 0.2 A 10 THR H H 1 7.79 0.02 A 10 THR HA H 1 3.80 0.02 A 10 THR HB H 1 4.28 0.02 A 10 THR HG2% H 1 1.23 0.02 A 10 THR C C 13 175.5 0.2 A 10 THR CA C 13 67.4 0.2 A 10 THR CB C 13 68.9 0.2 A 10 THR CG2 C 13 21.7 0.2 A 10 THR N N 15 114.3 0.2 A 11 ILE H H 1 7.76 0.02 A 11 ILE HA H 1 3.88 0.02 A 11 ILE HB H 1 2.01 0.02 A 11 ILE HD1% H 1 0.77 0.02 A 11 ILE HG1y H 1 1.84 0.02 A 11 ILE HG1x H 1 1.09 0.02 A 11 ILE HG2% H 1 0.92 0.02 A 11 ILE C C 13 179.7 0.2 A 11 ILE CA C 13 65.5 0.2 A 11 ILE CB C 13 38.6 0.2 A 11 ILE CD1 C 13 14.3 0.2 A 11 ILE CG1 C 13 29.8 0.2 A 11 ILE CG2 C 13 18.2 0.2 A 11 ILE N N 15 122.1 0.2 A 12 ILE H H 1 8.75 0.02 A 12 ILE HA H 1 3.41 0.02 A 12 ILE HB H 1 1.85 0.02 A 12 ILE HD1% H 1 0.77 0.02 A 12 ILE HG1y H 1 1.97 0.02 A 12 ILE HG1x H 1 0.88 0.02 A 12 ILE HG2% H 1 0.85 0.02 A 12 ILE C C 13 176.8 0.2 A 12 ILE CA C 13 67.0 0.2 A 12 ILE CB C 13 37.9 0.2 A 12 ILE CD1 C 13 14.8 0.2 A 12 ILE CG1 C 13 29.5 0.2 A 12 ILE CG2 C 13 18.0 0.2 A 12 ILE N N 15 123.1 0.2 A 13 ALA H H 1 8.43 0.02 A 13 ALA HA H 1 4.28 0.02 A 13 ALA HB% H 1 1.57 0.02 A 13 ALA C C 13 180.7 0.2 A 13 ALA CA C 13 55.7 0.2 A 13 ALA CB C 13 18.6 0.2 A 13 ALA N N 15 122.6 0.2 A 14 GLU H H 1 8.29 0.02 A 14 GLU HA H 1 4.19 0.02 A 14 GLU HBy H 1 2.14 0.02 A 14 GLU HBx H 1 2.04 0.02 A 14 GLU HGy H 1 2.53 0.02 A 14 GLU HGx H 1 2.33 0.02 A 14 GLU C C 13 179.1 0.2 A 14 GLU CA C 13 58.4 0.2 A 14 GLU CB C 13 30.0 0.2 A 14 GLU CG C 13 36.6 0.2 A 14 GLU N N 15 114.5 0.2 A 15 THR H H 1 8.39 0.02 A 15 THR HA H 1 4.08 0.02 A 15 THR HB H 1 4.14 0.02 A 15 THR HG1 H 1 5.36 0.02 A 15 THR HG2% H 1 1.30 0.02 A 15 THR C C 13 176.2 0.2 A 15 THR CA C 13 66.5 0.2 A 15 THR CB C 13 69.4 0.2 A 15 THR CG2 C 13 21.9 0.2 A 15 THR N N 15 115.5 0.2 A 16 CYS H H 1 8.13 0.02 A 16 CYS HA H 1 4.57 0.02 A 16 CYS HBy H 1 3.31 0.02 A 16 CYS HBx H 1 2.53 0.02 A 16 CYS C C 13 173.7 0.2 A 16 CYS CA C 13 59.2 0.2 A 16 CYS CB C 13 29.6 0.2 A 16 CYS N N 15 116.0 0.2 A 17 ASP H H 1 7.74 0.02 A 17 ASP HA H 1 4.41 0.02 A 17 ASP HBy H 1 3.08 0.02 A 17 ASP HBx H 1 2.55 0.02 A 17 ASP C C 13 174.7 0.2 A 17 ASP CA C 13 55.2 0.2 A 17 ASP CB C 13 38.9 0.2 A 17 ASP N N 15 119.9 0.2 A 18 ILE H H 1 7.41 0.02 A 18 ILE HA H 1 4.59 0.02 A 18 ILE HB H 1 1.42 0.02 A 18 ILE HD1% H 1 0.78 0.02 A 18 ILE HG1y H 1 1.38 0.02 A 18 ILE HG1x H 1 1.03 0.02 A 18 ILE HG2% H 1 0.85 0.02 A 18 ILE CA C 13 57.8 0.2 A 18 ILE CB C 13 42.0 0.2 A 18 ILE CD1 C 13 14.0 0.2 A 18 ILE CG1 C 13 27.3 0.2 A 18 ILE CG2 C 13 17.0 0.2 A 18 ILE N N 15 119.1 0.2 A 19 PRO HA H 1 4.37 0.02 A 19 PRO HBy H 1 2.47 0.02 A 19 PRO HBx H 1 1.94 0.02 A 19 PRO HDy H 1 3.97 0.02 A 19 PRO HDx H 1 3.57 0.02 A 19 PRO HGy H 1 2.17 0.02 A 19 PRO HGx H 1 2.01 0.02 A 19 PRO C C 13 179.4 0.2 A 19 PRO CA C 13 63.1 0.2 A 19 PRO CB C 13 32.1 0.2 A 19 PRO CD C 13 51.3 0.2 A 19 PRO CG C 13 28.0 0.2 A 20 ARG H H 1 9.15 0.02 A 20 ARG HA H 1 3.86 0.02 A 20 ARG HBx H 1 1.88 0.02 A 20 ARG HBy H 1 1.88 0.02 A 20 ARG HDy H 1 3.21 0.02 A 20 ARG HDx H 1 2.96 0.02 A 20 ARG HE H 1 7.42 0.02 A 20 ARG HGy H 1 1.82 0.02 A 20 ARG HGx H 1 1.50 0.02 A 20 ARG HH1x H 1 6.80 0.02 A 20 ARG HH1y H 1 6.80 0.02 A 20 ARG HH2x H 1 6.80 0.02 A 20 ARG HH2y H 1 6.80 0.02 A 20 ARG C C 13 178.5 0.2 A 20 ARG CA C 13 58.8 0.2 A 20 ARG CB C 13 29.5 0.2 A 20 ARG CD C 13 42.3 0.2 A 20 ARG CG C 13 27.4 0.2 A 20 ARG N N 15 129.1 0.2 A 20 ARG NE N 15 84.6 0.2 A 20 ARG NHx N 15 72.0 0.2 A 20 ARG NHy N 15 72.0 0.2 A 21 GLU H H 1 9.82 0.02 A 21 GLU HA H 1 4.30 0.02 A 21 GLU HBx H 1 2.11 0.02 A 21 GLU HBy H 1 2.11 0.02 A 21 GLU HGy H 1 2.36 0.02 A 21 GLU HGx H 1 2.27 0.02 A 21 GLU C C 13 177.2 0.2 A 21 GLU CA C 13 58.6 0.2 A 21 GLU CB C 13 28.5 0.2 A 21 GLU CG C 13 36.1 0.2 A 21 GLU N N 15 117.3 0.2 A 22 THR H H 1 7.78 0.02 A 22 THR HA H 1 4.34 0.02 A 22 THR HB H 1 4.35 0.02 A 22 THR HG2% H 1 1.27 0.02 A 22 THR C C 13 173.0 0.2 A 22 THR CA C 13 62.3 0.2 A 22 THR CB C 13 70.0 0.2 A 22 THR CG2 C 13 22.2 0.2 A 22 THR N N 15 110.2 0.2 A 23 ILE H H 1 7.59 0.02 A 23 ILE HA H 1 4.00 0.02 A 23 ILE HB H 1 2.01 0.02 A 23 ILE HD1% H 1 0.86 0.02 A 23 ILE HG1y H 1 1.90 0.02 A 23 ILE HG1x H 1 0.74 0.02 A 23 ILE HG2% H 1 0.92 0.02 A 23 ILE C C 13 174.7 0.2 A 23 ILE CA C 13 62.6 0.2 A 23 ILE CB C 13 38.5 0.2 A 23 ILE CD1 C 13 15.0 0.2 A 23 ILE CG1 C 13 27.5 0.2 A 23 ILE CG2 C 13 18.9 0.2 A 23 ILE N N 15 122.6 0.2 A 24 THR H H 1 8.58 0.02 A 24 THR HA H 1 5.29 0.02 A 24 THR HB H 1 4.61 0.02 A 24 THR HG2% H 1 1.15 0.02 A 24 THR CA C 13 59.0 0.2 A 24 THR CB C 13 69.8 0.2 A 24 THR CG2 C 13 20.9 0.2 A 24 THR N N 15 118.6 0.2 A 25 PRO HA H 1 3.77 0.02 A 25 PRO HBy H 1 1.80 0.02 A 25 PRO HBx H 1 1.64 0.02 A 25 PRO HDy H 1 3.61 0.02 A 25 PRO HDx H 1 3.48 0.02 A 25 PRO HGx H 1 0.27 0.02 A 25 PRO HGy H 1 1.69 0.02 A 25 PRO C C 13 176.2 0.2 A 25 PRO CA C 13 64.9 0.2 A 25 PRO CB C 13 31.8 0.2 A 25 PRO CD C 13 50.5 0.2 A 25 PRO CG C 13 27.1 0.2 A 26 GLU H H 1 7.38 0.02 A 26 GLU HA H 1 4.17 0.02 A 26 GLU HBy H 1 2.23 0.02 A 26 GLU HBx H 1 1.76 0.02 A 26 GLU HGy H 1 2.29 0.02 A 26 GLU HGx H 1 2.16 0.02 A 26 GLU C C 13 176.9 0.2 A 26 GLU CA C 13 56.3 0.2 A 26 GLU CB C 13 29.5 0.2 A 26 GLU CG C 13 36.7 0.2 A 26 GLU N N 15 110.9 0.2 A 27 SER H H 1 8.04 0.02 A 27 SER HA H 1 4.30 0.02 A 27 SER HBy H 1 4.19 0.02 A 27 SER HBx H 1 3.82 0.02 A 27 SER C C 13 172.1 0.2 A 27 SER CA C 13 61.0 0.2 A 27 SER CB C 13 64.2 0.2 A 27 SER N N 15 118.1 0.2 A 28 HIS H H 1 10.68 0.02 A 28 HIS HA H 1 4.74 0.02 A 28 HIS HBy H 1 3.17 0.02 A 28 HIS HBx H 1 3.12 0.02 A 28 HIS HD2 H 1 7.16 0.02 A 28 HIS HE1 H 1 7.53 0.02 A 28 HIS C C 13 178.2 0.2 A 28 HIS CA C 13 56.3 0.2 A 28 HIS CB C 13 32.6 0.2 A 28 HIS CD2 C 13 119.4 0.2 A 28 HIS CE1 C 13 139.6 0.2 A 28 HIS N N 15 128.2 0.2 A 28 HIS ND1 N 15 247.1 0.2 A 28 HIS NE2 N 15 165.1 0.2 A 29 ALA H H 1 9.27 0.02 A 29 ALA HA H 1 3.95 0.02 A 29 ALA HB% H 1 1.60 0.02 A 29 ALA C C 13 175.7 0.2 A 29 ALA CA C 13 55.9 0.2 A 29 ALA CB C 13 18.8 0.2 A 29 ALA N N 15 130.1 0.2 A 30 ILE H H 1 8.54 0.02 A 30 ILE HA H 1 4.21 0.02 A 30 ILE HB H 1 1.83 0.02 A 30 ILE HD1% H 1 0.35 0.02 A 30 ILE HG1y H 1 1.20 0.02 A 30 ILE HG1x H 1 1.01 0.02 A 30 ILE HG2% H 1 0.90 0.02 A 30 ILE CA C 13 62.9 0.2 A 30 ILE CB C 13 39.1 0.2 A 30 ILE CD1 C 13 11.9 0.2 A 30 ILE CG1 C 13 27.4 0.2 A 30 ILE CG2 C 13 17.3 0.2 A 30 ILE N N 15 113.3 0.2 A 31 ASP H H 1 8.48 0.02 A 31 ASP HA H 1 4.18 0.02 A 31 ASP HBy H 1 2.53 0.02 A 31 ASP HBx H 1 1.84 0.02 A 31 ASP C C 13 177.2 0.2 A 31 ASP CA C 13 57.5 0.2 A 31 ASP CB C 13 40.0 0.2 A 31 ASP N N 15 120.6 0.2 A 32 ASP H H 1 8.45 0.02 A 32 ASP HA H 1 5.06 0.02 A 32 ASP HBy H 1 3.13 0.02 A 32 ASP HBx H 1 2.96 0.02 A 32 ASP C C 13 177.5 0.2 A 32 ASP CA C 13 56.0 0.2 A 32 ASP CB C 13 42.2 0.2 A 32 ASP N N 15 114.2 0.2 A 33 LEU H H 1 7.23 0.02 A 33 LEU HA H 1 4.47 0.02 A 33 LEU HBy H 1 2.49 0.02 A 33 LEU HBx H 1 1.58 0.02 A 33 LEU HD1% H 1 1.03 0.02 A 33 LEU HD2% H 1 0.91 0.02 A 33 LEU HG H 1 1.68 0.02 A 33 LEU C C 13 177.4 0.2 A 33 LEU CA C 13 54.9 0.2 A 33 LEU CB C 13 41.2 0.2 A 33 LEU CD1 C 13 26.8 0.2 A 33 LEU CD2 C 13 22.3 0.2 A 33 LEU CG C 13 27.3 0.2 A 33 LEU N N 15 114.0 0.2 A 34 GLY H H 1 7.33 0.02 A 34 GLY HAy H 1 3.97 0.02 A 34 GLY HAx H 1 3.90 0.02 A 34 GLY C C 13 174.5 0.2 A 34 GLY CA C 13 46.9 0.2 A 34 GLY N N 15 107.0 0.2 A 35 ILE H H 1 7.82 0.02 A 35 ILE HA H 1 4.11 0.02 A 35 ILE HB H 1 1.75 0.02 A 35 ILE HD1% H 1 0.80 0.02 A 35 ILE HG1y H 1 1.54 0.02 A 35 ILE HG1x H 1 1.12 0.02 A 35 ILE HG2% H 1 0.81 0.02 A 35 ILE C C 13 175.3 0.2 A 35 ILE CA C 13 62.0 0.2 A 35 ILE CB C 13 37.9 0.2 A 35 ILE CD1 C 13 14.2 0.2 A 35 ILE CG1 C 13 27.9 0.2 A 35 ILE CG2 C 13 18.4 0.2 A 35 ILE N N 15 120.7 0.2 A 36 ASP H H 1 8.78 0.02 A 36 ASP HA H 1 4.84 0.02 A 36 ASP HBy H 1 3.13 0.02 A 36 ASP HBx H 1 2.75 0.02 A 36 ASP C C 13 177.1 0.2 A 36 ASP CA C 13 52.6 0.2 A 36 ASP CB C 13 42.5 0.2 A 36 ASP N N 15 126.8 0.2 A 37 SER H H 1 8.75 0.02 A 37 SER HA H 1 4.17 0.02 A 37 SER HBx H 1 4.15 0.02 A 37 SER HBy H 1 4.15 0.02 A 37 SER C C 13 175.7 0.2 A 37 SER CA C 13 60.7 0.2 A 37 SER CB C 13 65.8 0.2 A 37 SER N N 15 114.0 0.2 A 38 LEU H H 1 8.03 0.02 A 38 LEU HA H 1 4.22 0.02 A 38 LEU HBy H 1 1.88 0.02 A 38 LEU HBx H 1 1.61 0.02 A 38 LEU HD1% H 1 0.95 0.02 A 38 LEU HD2% H 1 0.89 0.02 A 38 LEU HG H 1 1.71 0.02 A 38 LEU C C 13 180.2 0.2 A 38 LEU CA C 13 57.8 0.2 A 38 LEU CB C 13 41.0 0.2 A 38 LEU CD1 C 13 25.2 0.2 A 38 LEU CD2 C 13 23.6 0.2 A 38 LEU CG C 13 27.1 0.2 A 38 LEU N N 15 123.2 0.2 A 39 ASP H H 1 8.39 0.02 A 39 ASP HA H 1 4.44 0.02 A 39 ASP HBy H 1 3.00 0.02 A 39 ASP HBx H 1 2.58 0.02 A 39 ASP C C 13 179.0 0.2 A 39 ASP CA C 13 57.2 0.2 A 39 ASP CB C 13 41.2 0.2 A 39 ASP N N 15 121.5 0.2 A 40 PHE H H 1 8.64 0.02 A 40 PHE HA H 1 4.05 0.02 A 40 PHE HBx H 1 3.15 0.02 A 40 PHE HBy H 1 3.15 0.02 A 40 PHE HDx H 1 7.14 0.02 A 40 PHE HDy H 1 7.14 0.02 A 40 PHE HEx H 1 7.04 0.02 A 40 PHE HEy H 1 7.04 0.02 A 40 PHE HZ H 1 7.03 0.02 A 40 PHE C C 13 177.5 0.2 A 40 PHE CA C 13 61.8 0.2 A 40 PHE CB C 13 38.4 0.2 A 40 PHE CDx C 13 131.9 0.2 A 40 PHE CDy C 13 131.9 0.2 A 40 PHE CEx C 13 130.1 0.2 A 40 PHE CEy C 13 130.1 0.2 A 40 PHE CZ C 13 128.5 0.2 A 40 PHE N N 15 118.9 0.2 A 41 LEU H H 1 7.66 0.02 A 41 LEU HA H 1 3.98 0.02 A 41 LEU HBy H 1 1.95 0.02 A 41 LEU HBx H 1 1.59 0.02 A 41 LEU HD1% H 1 0.95 0.02 A 41 LEU HD2% H 1 0.90 0.02 A 41 LEU HG H 1 1.87 0.02 A 41 LEU C C 13 179.3 0.2 A 41 LEU CA C 13 58.4 0.2 A 41 LEU CB C 13 41.0 0.2 A 41 LEU CD1 C 13 25.2 0.2 A 41 LEU CD2 C 13 23.4 0.2 A 41 LEU CG C 13 26.8 0.2 A 41 LEU N N 15 118.8 0.2 A 42 ASP H H 1 7.32 0.02 A 42 ASP HA H 1 4.59 0.02 A 42 ASP HBx H 1 2.62 0.02 A 42 ASP HBy H 1 2.87 0.02 A 42 ASP C C 13 179.8 0.2 A 42 ASP CA C 13 57.6 0.2 A 42 ASP CB C 13 40.3 0.2 A 42 ASP N N 15 119.7 0.2 A 43 ILE H H 1 8.09 0.02 A 43 ILE HA H 1 3.52 0.02 A 43 ILE HB H 1 1.75 0.02 A 43 ILE HD1% H 1 0.77 0.02 A 43 ILE HG1y H 1 1.77 0.02 A 43 ILE HG1x H 1 0.79 0.02 A 43 ILE HG2% H 1 0.68 0.02 A 43 ILE C C 13 177.1 0.2 A 43 ILE CA C 13 65.2 0.2 A 43 ILE CB C 13 37.9 0.2 A 43 ILE CD1 C 13 15.5 0.2 A 43 ILE CG1 C 13 29.4 0.2 A 43 ILE CG2 C 13 17.0 0.2 A 43 ILE N N 15 122.7 0.2 A 44 ALA H H 1 8.83 0.02 A 44 ALA HA H 1 3.86 0.02 A 44 ALA HB% H 1 1.48 0.02 A 44 ALA C C 13 178.5 0.2 A 44 ALA CA C 13 55.7 0.2 A 44 ALA CB C 13 18.3 0.2 A 44 ALA N N 15 122.6 0.2 A 45 PHE H H 1 8.09 0.02 A 45 PHE HA H 1 4.50 0.02 A 45 PHE HBy H 1 3.32 0.02 A 45 PHE HBx H 1 3.29 0.02 A 45 PHE HDx H 1 7.40 0.02 A 45 PHE HDy H 1 7.40 0.02 A 45 PHE HEx H 1 7.39 0.02 A 45 PHE HEy H 1 7.39 0.02 A 45 PHE HZ H 1 7.33 0.02 A 45 PHE C C 13 178.3 0.2 A 45 PHE CA C 13 60.6 0.2 A 45 PHE CB C 13 38.7 0.2 A 45 PHE CDx C 13 132.1 0.2 A 45 PHE CDy C 13 132.1 0.2 A 45 PHE CEx C 13 131.6 0.2 A 45 PHE CEy C 13 131.6 0.2 A 45 PHE CZ C 13 129.9 0.2 A 45 PHE N N 15 117.3 0.2 A 46 ALA H H 1 7.78 0.02 A 46 ALA HA H 1 4.17 0.02 A 46 ALA HB% H 1 1.62 0.02 A 46 ALA C C 13 181.4 0.2 A 46 ALA CA C 13 55.0 0.2 A 46 ALA CB C 13 19.2 0.2 A 46 ALA N N 15 121.6 0.2 A 47 ILE H H 1 8.96 0.02 A 47 ILE HA H 1 3.78 0.02 A 47 ILE HB H 1 2.18 0.02 A 47 ILE HD1% H 1 0.84 0.02 A 47 ILE HG1y H 1 2.09 0.02 A 47 ILE HG1x H 1 1.05 0.02 A 47 ILE HG2% H 1 0.98 0.02 A 47 ILE C C 13 177.0 0.2 A 47 ILE CA C 13 66.0 0.2 A 47 ILE CB C 13 38.0 0.2 A 47 ILE CD1 C 13 14.8 0.2 A 47 ILE CG1 C 13 30.5 0.2 A 47 ILE CG2 C 13 17.9 0.2 A 47 ILE N N 15 122.9 0.2 A 48 ASP H H 1 8.95 0.02 A 48 ASP HA H 1 4.37 0.02 A 48 ASP HBx H 1 2.81 0.02 A 48 ASP HBy H 1 2.81 0.02 A 48 ASP C C 13 180.2 0.2 A 48 ASP CA C 13 57.7 0.2 A 48 ASP CB C 13 40.3 0.2 A 48 ASP N N 15 123.9 0.2 A 49 LYS H H 1 7.59 0.02 A 49 LYS HA H 1 4.02 0.02 A 49 LYS HBx H 1 1.77 0.02 A 49 LYS HBy H 1 1.77 0.02 A 49 LYS HDx H 1 1.60 0.02 A 49 LYS HDy H 1 1.60 0.02 A 49 LYS HEy H 1 2.90 0.02 A 49 LYS HEx H 1 2.82 0.02 A 49 LYS HGy H 1 1.40 0.02 A 49 LYS HGx H 1 1.33 0.02 A 49 LYS C C 13 178.8 0.2 A 49 LYS CA C 13 58.6 0.2 A 49 LYS CB C 13 32.6 0.2 A 49 LYS CD C 13 29.1 0.2 A 49 LYS CE C 13 42.0 0.2 A 49 LYS CG C 13 24.6 0.2 A 49 LYS N N 15 117.5 0.2 A 50 ALA H H 1 8.18 0.02 A 50 ALA HA H 1 4.03 0.02 A 50 ALA HB% H 1 1.25 0.02 A 50 ALA C C 13 179.4 0.2 A 50 ALA CA C 13 54.6 0.2 A 50 ALA CB C 13 19.1 0.2 A 50 ALA N N 15 121.1 0.2 A 51 PHE H H 1 8.62 0.02 A 51 PHE HA H 1 4.54 0.02 A 51 PHE HBy H 1 3.06 0.02 A 51 PHE HBx H 1 2.79 0.02 A 51 PHE HDx H 1 7.60 0.02 A 51 PHE HDy H 1 7.60 0.02 A 51 PHE HEx H 1 7.22 0.02 A 51 PHE HEy H 1 7.22 0.02 A 51 PHE HZ H 1 7.30 0.02 A 51 PHE C C 13 176.2 0.2 A 51 PHE CA C 13 58.4 0.2 A 51 PHE CB C 13 40.5 0.2 A 51 PHE CDx C 13 133.0 0.2 A 51 PHE CDy C 13 133.0 0.2 A 51 PHE CEx C 13 130.5 0.2 A 51 PHE CEy C 13 130.5 0.2 A 51 PHE CZ C 13 129.5 0.2 A 51 PHE N N 15 111.6 0.2 A 52 GLY H H 1 8.14 0.02 A 52 GLY HAy H 1 4.07 0.02 A 52 GLY HAx H 1 3.90 0.02 A 52 GLY C C 13 174.9 0.2 A 52 GLY CA C 13 47.5 0.2 A 52 GLY N N 15 112.1 0.2 A 53 ILE H H 1 7.52 0.02 A 53 ILE HA H 1 4.67 0.02 A 53 ILE HB H 1 1.85 0.02 A 53 ILE HD1% H 1 0.73 0.02 A 53 ILE HG1y H 1 1.42 0.02 A 53 ILE HG1x H 1 0.99 0.02 A 53 ILE HG2% H 1 0.76 0.02 A 53 ILE C C 13 173.5 0.2 A 53 ILE CA C 13 58.6 0.2 A 53 ILE CB C 13 42.9 0.2 A 53 ILE CD1 C 13 15.5 0.2 A 53 ILE CG1 C 13 25.0 0.2 A 53 ILE CG2 C 13 18.7 0.2 A 53 ILE N N 15 111.0 0.2 A 54 LYS H H 1 7.94 0.02 A 54 LYS HA H 1 4.61 0.02 A 54 LYS HBy H 1 1.60 0.02 A 54 LYS HBx H 1 1.47 0.02 A 54 LYS HDx H 1 1.63 0.02 A 54 LYS HDy H 1 1.63 0.02 A 54 LYS HEx H 1 2.94 0.02 A 54 LYS HEy H 1 2.94 0.02 A 54 LYS HGx H 1 1.20 0.02 A 54 LYS HGy H 1 1.20 0.02 A 54 LYS C C 13 175.9 0.2 A 54 LYS CA C 13 53.3 0.2 A 54 LYS CB C 13 33.0 0.2 A 54 LYS CD C 13 28.7 0.2 A 54 LYS CE C 13 42.2 0.2 A 54 LYS CG C 13 24.4 0.2 A 54 LYS N N 15 119.6 0.2 A 55 LEU H H 1 10.70 0.02 A 55 LEU HA H 1 3.85 0.02 A 55 LEU HBy H 1 1.64 0.02 A 55 LEU HBx H 1 0.93 0.02 A 55 LEU HD1% H 1 0.88 0.02 A 55 LEU HD2% H 1 0.77 0.02 A 55 LEU HG H 1 1.63 0.02 A 55 LEU CA C 13 53.3 0.2 A 55 LEU CB C 13 42.0 0.2 A 55 LEU CD1 C 13 25.8 0.2 A 55 LEU CD2 C 13 24.1 0.2 A 55 LEU CG C 13 25.8 0.2 A 55 LEU N N 15 130.8 0.2 A 56 PRO HA H 1 4.60 0.02 A 56 PRO HBy H 1 1.90 0.02 A 56 PRO HBx H 1 1.54 0.02 A 56 PRO HDy H 1 3.63 0.02 A 56 PRO HDx H 1 2.33 0.02 A 56 PRO HGy H 1 1.77 0.02 A 56 PRO HGx H 1 0.94 0.02 A 56 PRO C C 13 174.6 0.2 A 56 PRO CA C 13 61.5 0.2 A 56 PRO CB C 13 27.5 0.2 A 56 PRO CD C 13 50.4 0.2 A 56 PRO CG C 13 26.7 0.2 A 57 LEU H H 1 7.49 0.02 A 57 LEU HA H 1 3.41 0.02 A 57 LEU HBy H 1 1.50 0.02 A 57 LEU HBx H 1 1.41 0.02 A 57 LEU HD1% H 1 0.90 0.02 A 57 LEU HD2% H 1 0.77 0.02 A 57 LEU HG H 1 1.47 0.02 A 57 LEU C C 13 179.1 0.2 A 57 LEU CA C 13 58.2 0.2 A 57 LEU CB C 13 42.1 0.2 A 57 LEU CD1 C 13 25.0 0.2 A 57 LEU CD2 C 13 24.3 0.2 A 57 LEU CG C 13 27.0 0.2 A 57 LEU N N 15 121.3 0.2 A 58 GLU H H 1 8.86 0.02 A 58 GLU HA H 1 3.98 0.02 A 58 GLU HBx H 1 1.97 0.02 A 58 GLU HBy H 1 1.97 0.02 A 58 GLU HGx H 1 2.25 0.02 A 58 GLU HGy H 1 2.25 0.02 A 58 GLU C C 13 178.5 0.2 A 58 GLU CA C 13 59.9 0.2 A 58 GLU CB C 13 28.7 0.2 A 58 GLU CG C 13 36.5 0.2 A 58 GLU N N 15 119.2 0.2 A 59 LYS H H 1 7.42 0.02 A 59 LYS HA H 1 4.10 0.02 A 59 LYS HBx H 1 1.85 0.02 A 59 LYS HBy H 1 1.88 0.02 A 59 LYS HDx H 1 1.68 0.02 A 59 LYS HDy H 1 1.74 0.02 A 59 LYS HEx H 1 3.04 0.02 A 59 LYS HEy H 1 3.04 0.02 A 59 LYS HGx H 1 1.39 0.02 A 59 LYS HGy H 1 1.55 0.02 A 59 LYS C C 13 178.7 0.2 A 59 LYS CA C 13 58.9 0.2 A 59 LYS CB C 13 32.2 0.2 A 59 LYS CD C 13 29.3 0.2 A 59 LYS CE C 13 42.3 0.2 A 59 LYS CG C 13 24.8 0.2 A 59 LYS N N 15 122.1 0.2 A 60 TRP H H 1 8.14 0.02 A 60 TRP HA H 1 4.20 0.02 A 60 TRP HBy H 1 2.90 0.02 A 60 TRP HBx H 1 2.08 0.02 A 60 TRP HD1 H 1 6.47 0.02 A 60 TRP HE1 H 1 10.08 0.02 A 60 TRP HE3 H 1 6.76 0.02 A 60 TRP HH2 H 1 6.80 0.02 A 60 TRP HZ2 H 1 7.23 0.02 A 60 TRP HZ3 H 1 6.58 0.02 A 60 TRP C C 13 178.3 0.2 A 60 TRP CA C 13 57.7 0.2 A 60 TRP CB C 13 28.6 0.2 A 60 TRP CD1 C 13 123.4 0.2 A 60 TRP CE3 C 13 120.0 0.2 A 60 TRP CH2 C 13 123.1 0.2 A 60 TRP CZ2 C 13 112.9 0.2 A 60 TRP CZ3 C 13 119.9 0.2 A 60 TRP N N 15 120.0 0.2 A 60 TRP NE1 N 15 128.1 0.2 A 61 THR H H 1 8.39 0.02 A 61 THR HA H 1 3.87 0.02 A 61 THR HB H 1 4.28 0.02 A 61 THR HG2% H 1 1.29 0.02 A 61 THR C C 13 176.3 0.2 A 61 THR CA C 13 67.1 0.2 A 61 THR CB C 13 68.9 0.2 A 61 THR CG2 C 13 21.5 0.2 A 61 THR N N 15 113.2 0.2 A 62 GLN H H 1 7.81 0.02 A 62 GLN HA H 1 4.04 0.02 A 62 GLN HBx H 1 2.27 0.02 A 62 GLN HBy H 1 2.27 0.02 A 62 GLN HE21 H 1 7.88 0.02 A 62 GLN HE22 H 1 6.86 0.02 A 62 GLN HGy H 1 2.52 0.02 A 62 GLN HGx H 1 2.43 0.02 A 62 GLN C C 13 177.9 0.2 A 62 GLN CA C 13 59.0 0.2 A 62 GLN CB C 13 28.1 0.2 A 62 GLN CD C 13 180.7 0.2 A 62 GLN CG C 13 33.5 0.2 A 62 GLN N N 15 122.3 0.2 A 62 GLN NE2 N 15 114.3 0.2 A 63 GLU H H 1 8.41 0.02 A 63 GLU HA H 1 4.07 0.02 A 63 GLU HBy H 1 2.46 0.02 A 63 GLU HBx H 1 2.01 0.02 A 63 GLU HGy H 1 2.69 0.02 A 63 GLU HGx H 1 2.24 0.02 A 63 GLU C C 13 180.0 0.2 A 63 GLU CA C 13 60.2 0.2 A 63 GLU CB C 13 30.4 0.2 A 63 GLU CG C 13 37.0 0.2 A 63 GLU N N 15 119.0 0.2 A 64 VAL H H 1 8.17 0.02 A 64 VAL HA H 1 4.12 0.02 A 64 VAL HB H 1 2.26 0.02 A 64 VAL HG1% H 1 1.04 0.02 A 64 VAL HG2% H 1 1.02 0.02 A 64 VAL C C 13 180.6 0.2 A 64 VAL CA C 13 65.4 0.2 A 64 VAL CB C 13 31.9 0.2 A 64 VAL CG1 C 13 21.7 0.2 A 64 VAL CG2 C 13 22.4 0.2 A 64 VAL N N 15 119.6 0.2 A 65 ASN H H 1 8.55 0.02 A 65 ASN HA H 1 4.51 0.02 A 65 ASN HBx H 1 2.92 0.02 A 65 ASN HBy H 1 2.92 0.02 A 65 ASN HD21 H 1 7.53 0.02 A 65 ASN HD22 H 1 6.99 0.02 A 65 ASN C C 13 177.3 0.2 A 65 ASN CA C 13 56.3 0.2 A 65 ASN CB C 13 38.1 0.2 A 65 ASN CG C 13 176.0 0.2 A 65 ASN N N 15 121.7 0.2 A 65 ASN ND2 N 15 112.1 0.2 A 66 ASP H H 1 8.47 0.02 A 66 ASP HA H 1 4.77 0.02 A 66 ASP HBy H 1 2.87 0.02 A 66 ASP HBx H 1 2.79 0.02 A 66 ASP C C 13 177.0 0.2 A 66 ASP CA C 13 54.8 0.2 A 66 ASP CB C 13 41.3 0.2 A 66 ASP N N 15 118.0 0.2 A 67 GLY H H 1 8.10 0.02 A 67 GLY HAy H 1 4.20 0.02 A 67 GLY HAx H 1 4.03 0.02 A 67 GLY C C 13 174.8 0.2 A 67 GLY CA C 13 46.0 0.2 A 67 GLY N N 15 108.6 0.2 A 68 LYS H H 1 8.40 0.02 A 68 LYS HA H 1 4.31 0.02 A 68 LYS HBy H 1 2.06 0.02 A 68 LYS HBx H 1 1.72 0.02 A 68 LYS HDx H 1 1.74 0.02 A 68 LYS HDy H 1 1.74 0.02 A 68 LYS HEx H 1 3.04 0.02 A 68 LYS HEy H 1 3.04 0.02 A 68 LYS HGy H 1 1.51 0.02 A 68 LYS HGx H 1 1.42 0.02 A 68 LYS C C 13 175.1 0.2 A 68 LYS CA C 13 56.4 0.2 A 68 LYS CB C 13 33.5 0.2 A 68 LYS CD C 13 29.1 0.2 A 68 LYS CE C 13 42.3 0.2 A 68 LYS CG C 13 25.3 0.2 A 68 LYS N N 15 118.9 0.2 A 69 ALA H H 1 7.49 0.02 A 69 ALA HA H 1 4.63 0.02 A 69 ALA HB% H 1 1.29 0.02 A 69 ALA C C 13 175.9 0.2 A 69 ALA CA C 13 50.5 0.2 A 69 ALA CB C 13 24.0 0.2 A 69 ALA N N 15 120.4 0.2 A 70 THR H H 1 7.93 0.02 A 70 THR HA H 1 4.75 0.02 A 70 THR HB H 1 4.70 0.02 A 70 THR HG2% H 1 1.24 0.02 A 70 THR C C 13 175.6 0.2 A 70 THR CA C 13 59.6 0.2 A 70 THR CB C 13 70.7 0.2 A 70 THR CG2 C 13 21.9 0.2 A 70 THR N N 15 109.7 0.2 A 71 THR H H 1 9.03 0.02 A 71 THR HA H 1 4.11 0.02 A 71 THR HB H 1 4.50 0.02 A 71 THR HG2% H 1 1.56 0.02 A 71 THR C C 13 177.5 0.2 A 71 THR CA C 13 65.1 0.2 A 71 THR CB C 13 68.9 0.2 A 71 THR CG2 C 13 22.9 0.2 A 71 THR N N 15 111.3 0.2 A 72 GLU H H 1 8.83 0.02 A 72 GLU HA H 1 3.86 0.02 A 72 GLU HBy H 1 2.13 0.02 A 72 GLU HBx H 1 2.00 0.02 A 72 GLU HGy H 1 2.36 0.02 A 72 GLU HGx H 1 2.29 0.02 A 72 GLU C C 13 177.5 0.2 A 72 GLU CA C 13 59.9 0.2 A 72 GLU CB C 13 29.0 0.2 A 72 GLU CG C 13 36.6 0.2 A 72 GLU N N 15 122.3 0.2 A 73 GLN H H 1 7.28 0.02 A 73 GLN HA H 1 3.63 0.02 A 73 GLN HBx H 1 1.34 0.02 A 73 GLN HBy H 1 1.62 0.02 A 73 GLN HE2y H 1 6.97 0.02 A 73 GLN HE2x H 1 6.66 0.02 A 73 GLN HGy H 1 1.84 0.02 A 73 GLN HGx H 1 1.39 0.02 A 73 GLN C C 13 174.0 0.2 A 73 GLN CA C 13 58.0 0.2 A 73 GLN CB C 13 28.6 0.2 A 73 GLN CD C 13 180.2 0.2 A 73 GLN CG C 13 33.3 0.2 A 73 GLN N N 15 116.9 0.2 A 73 GLN NE2 N 15 112.2 0.2 A 74 TYR H H 1 6.31 0.02 A 74 TYR HA H 1 4.08 0.02 A 74 TYR HBy H 1 1.71 0.02 A 74 TYR HBx H 1 1.35 0.02 A 74 TYR HDx H 1 5.63 0.02 A 74 TYR HDy H 1 5.63 0.02 A 74 TYR HEx H 1 5.97 0.02 A 74 TYR HEy H 1 5.97 0.02 A 74 TYR C C 13 173.9 0.2 A 74 TYR CA C 13 56.8 0.2 A 74 TYR CB C 13 40.3 0.2 A 74 TYR CDx C 13 130.7 0.2 A 74 TYR CDy C 13 130.7 0.2 A 74 TYR CEx C 13 117.3 0.2 A 74 TYR CEy C 13 117.3 0.2 A 74 TYR N N 15 112.7 0.2 A 75 PHE H H 1 7.76 0.02 A 75 PHE HA H 1 4.66 0.02 A 75 PHE HBy H 1 2.92 0.02 A 75 PHE HBx H 1 2.28 0.02 A 75 PHE HDx H 1 7.13 0.02 A 75 PHE HDy H 1 7.13 0.02 A 75 PHE HEx H 1 6.78 0.02 A 75 PHE HEy H 1 6.78 0.02 A 75 PHE HZ H 1 7.00 0.02 A 75 PHE C C 13 177.9 0.2 A 75 PHE CA C 13 57.4 0.2 A 75 PHE CB C 13 39.7 0.2 A 75 PHE CDx C 13 131.3 0.2 A 75 PHE CDy C 13 131.3 0.2 A 75 PHE CEx C 13 130.6 0.2 A 75 PHE CEy C 13 130.6 0.2 A 75 PHE CZ C 13 129.1 0.2 A 75 PHE N N 15 108.0 0.2 A 76 VAL H H 1 7.01 0.02 A 76 VAL HA H 1 4.77 0.02 A 76 VAL HB H 1 2.20 0.02 A 76 VAL HG1% H 1 1.03 0.02 A 76 VAL HG2% H 1 1.10 0.02 A 76 VAL C C 13 180.0 0.2 A 76 VAL CA C 13 62.9 0.2 A 76 VAL CB C 13 31.2 0.2 A 76 VAL CG1 C 13 21.9 0.2 A 76 VAL CG2 C 13 24.1 0.2 A 76 VAL N N 15 120.7 0.2 A 77 LEU H H 1 8.86 0.02 A 77 LEU HA H 1 4.03 0.02 A 77 LEU HBy H 1 2.55 0.02 A 77 LEU HBx H 1 1.60 0.02 A 77 LEU HD1% H 1 1.03 0.02 A 77 LEU HD2% H 1 0.88 0.02 A 77 LEU HG H 1 2.23 0.02 A 77 LEU C C 13 179.0 0.2 A 77 LEU CA C 13 59.1 0.2 A 77 LEU CB C 13 41.0 0.2 A 77 LEU CD1 C 13 26.8 0.2 A 77 LEU CD2 C 13 22.3 0.2 A 77 LEU CG C 13 27.4 0.2 A 77 LEU N N 15 131.6 0.2 A 78 LYS H H 1 9.54 0.02 A 78 LYS HA H 1 4.21 0.02 A 78 LYS HBy H 1 1.84 0.02 A 78 LYS HBx H 1 1.61 0.02 A 78 LYS HDy H 1 1.49 0.02 A 78 LYS HDx H 1 1.38 0.02 A 78 LYS HEx H 1 2.76 0.02 A 78 LYS HEy H 1 2.81 0.02 A 78 LYS HGy H 1 1.23 0.02 A 78 LYS HGx H 1 1.12 0.02 A 78 LYS C C 13 178.0 0.2 A 78 LYS CA C 13 59.1 0.2 A 78 LYS CB C 13 31.1 0.2 A 78 LYS CD C 13 29.5 0.2 A 78 LYS CE C 13 42.1 0.2 A 78 LYS CG C 13 23.7 0.2 A 78 LYS N N 15 116.7 0.2 A 79 ASN H H 1 7.34 0.02 A 79 ASN HA H 1 4.65 0.02 A 79 ASN HBy H 1 2.81 0.02 A 79 ASN HBx H 1 2.71 0.02 A 79 ASN HD21 H 1 7.34 0.02 A 79 ASN HD22 H 1 7.13 0.02 A 79 ASN C C 13 176.2 0.2 A 79 ASN CA C 13 54.6 0.2 A 79 ASN CB C 13 37.2 0.2 A 79 ASN CG C 13 175.6 0.2 A 79 ASN N N 15 121.5 0.2 A 79 ASN ND2 N 15 113.2 0.2 A 80 LEU H H 1 8.26 0.02 A 80 LEU HA H 1 4.03 0.02 A 80 LEU HBy H 1 1.96 0.02 A 80 LEU HBx H 1 1.93 0.02 A 80 LEU HD1% H 1 1.28 0.02 A 80 LEU HD2% H 1 0.99 0.02 A 80 LEU HG H 1 1.67 0.02 A 80 LEU C C 13 178.7 0.2 A 80 LEU CA C 13 58.8 0.2 A 80 LEU CB C 13 40.8 0.2 A 80 LEU CD1 C 13 22.4 0.2 A 80 LEU CD2 C 13 25.8 0.2 A 80 LEU CG C 13 27.5 0.2 A 80 LEU N N 15 124.3 0.2 A 81 ALA H H 1 8.58 0.02 A 81 ALA HA H 1 3.87 0.02 A 81 ALA HB% H 1 1.46 0.02 A 81 ALA C C 13 177.6 0.2 A 81 ALA CA C 13 55.2 0.2 A 81 ALA CB C 13 17.3 0.2 A 81 ALA N N 15 118.1 0.2 A 82 ALA H H 1 7.23 0.02 A 82 ALA HA H 1 4.21 0.02 A 82 ALA HB% H 1 1.61 0.02 A 82 ALA C C 13 180.7 0.2 A 82 ALA CA C 13 55.4 0.2 A 82 ALA CB C 13 17.9 0.2 A 82 ALA N N 15 119.8 0.2 A 83 ARG H H 1 8.51 0.02 A 83 ARG HA H 1 4.34 0.02 A 83 ARG HBy H 1 2.45 0.02 A 83 ARG HBx H 1 2.14 0.02 A 83 ARG HDy H 1 3.14 0.02 A 83 ARG HDx H 1 3.02 0.02 A 83 ARG HE H 1 7.76 0.02 A 83 ARG HGx H 1 1.41 0.02 A 83 ARG HGy H 1 2.24 0.02 A 83 ARG C C 13 180.5 0.2 A 83 ARG CA C 13 58.5 0.2 A 83 ARG CB C 13 31.9 0.2 A 83 ARG CD C 13 43.3 0.2 A 83 ARG CG C 13 26.5 0.2 A 83 ARG N N 15 118.3 0.2 A 83 ARG NE N 15 85.0 0.2 A 84 ILE H H 1 8.34 0.02 A 84 ILE HA H 1 3.38 0.02 A 84 ILE HB H 1 1.74 0.02 A 84 ILE HD1% H 1 0.53 0.02 A 84 ILE HG1y H 1 1.78 0.02 A 84 ILE HG1x H 1 0.54 0.02 A 84 ILE HG2% H 1 -0.15 0.02 A 84 ILE C C 13 177.3 0.2 A 84 ILE CA C 13 66.2 0.2 A 84 ILE CB C 13 37.7 0.2 A 84 ILE CD1 C 13 16.3 0.2 A 84 ILE CG1 C 13 29.9 0.2 A 84 ILE CG2 C 13 16.0 0.2 A 84 ILE N N 15 121.3 0.2 A 85 ASP H H 1 8.33 0.02 A 85 ASP HA H 1 4.41 0.02 A 85 ASP HBy H 1 2.89 0.02 A 85 ASP HBx H 1 2.68 0.02 A 85 ASP C C 13 180.2 0.2 A 85 ASP CA C 13 58.0 0.2 A 85 ASP CB C 13 39.5 0.2 A 85 ASP N N 15 120.2 0.2 A 86 GLU H H 1 8.06 0.02 A 86 GLU HA H 1 4.12 0.02 A 86 GLU HBy H 1 2.49 0.02 A 86 GLU HBx H 1 2.10 0.02 A 86 GLU HGy H 1 2.57 0.02 A 86 GLU HGx H 1 2.39 0.02 A 86 GLU C C 13 179.8 0.2 A 86 GLU CA C 13 59.3 0.2 A 86 GLU CB C 13 29.5 0.2 A 86 GLU CG C 13 36.1 0.2 A 86 GLU N N 15 121.1 0.2 A 87 LEU H H 1 8.09 0.02 A 87 LEU HA H 1 4.20 0.02 A 87 LEU HBy H 1 2.15 0.02 A 87 LEU HBx H 1 1.40 0.02 A 87 LEU HD1% H 1 0.95 0.02 A 87 LEU HD2% H 1 0.99 0.02 A 87 LEU HG H 1 2.07 0.02 A 87 LEU C C 13 180.5 0.2 A 87 LEU CA C 13 58.2 0.2 A 87 LEU CB C 13 42.1 0.2 A 87 LEU CD1 C 13 27.2 0.2 A 87 LEU CD2 C 13 22.9 0.2 A 87 LEU CG C 13 27.5 0.2 A 87 LEU N N 15 122.7 0.2 A 88 VAL H H 1 9.03 0.02 A 88 VAL HA H 1 3.54 0.02 A 88 VAL HB H 1 2.28 0.02 A 88 VAL HG1% H 1 1.08 0.02 A 88 VAL HG2% H 1 1.24 0.02 A 88 VAL C C 13 179.2 0.2 A 88 VAL CA C 13 66.8 0.2 A 88 VAL CB C 13 32.3 0.2 A 88 VAL CG1 C 13 21.4 0.2 A 88 VAL CGy C 13 24.0 0.2 A 88 VAL CGx C 13 21.4 0.2 A 88 VAL N N 15 122.8 0.2 A 89 ALA H H 1 8.17 0.02 A 89 ALA HA H 1 4.22 0.02 A 89 ALA HB% H 1 1.55 0.02 A 89 ALA C C 13 180.0 0.2 A 89 ALA CA C 13 54.7 0.2 A 89 ALA CB C 13 18.0 0.2 A 89 ALA N N 15 122.9 0.2 A 90 ALA H H 1 7.82 0.02 A 90 ALA HA H 1 4.27 0.02 A 90 ALA HB% H 1 1.57 0.02 A 90 ALA C C 13 179.2 0.2 A 90 ALA CA C 13 53.9 0.2 A 90 ALA CB C 13 18.5 0.2 A 90 ALA N N 15 120.1 0.2 A 91 LYS H H 1 7.66 0.02 A 91 LYS HA H 1 4.19 0.02 A 91 LYS HBy H 1 2.03 0.02 A 91 LYS HBx H 1 1.98 0.02 A 91 LYS HDx H 1 1.84 0.02 A 91 LYS HDy H 1 1.84 0.02 A 91 LYS HEx H 1 3.12 0.02 A 91 LYS HEy H 1 3.12 0.02 A 91 LYS HGy H 1 1.73 0.02 A 91 LYS HGx H 1 1.54 0.02 A 91 LYS C C 13 178.4 0.2 A 91 LYS CA C 13 58.5 0.2 A 91 LYS CB C 13 32.4 0.2 A 91 LYS CD C 13 29.4 0.2 A 91 LYS CE C 13 42.2 0.2 A 91 LYS CG C 13 24.7 0.2 A 91 LYS N N 15 118.9 0.2 A 92 GLY H H 1 8.09 0.02 A 92 GLY HAx H 1 3.97 0.02 A 92 GLY HAy H 1 4.00 0.02 A 92 GLY C C 13 174.7 0.2 A 92 GLY CA C 13 46.0 0.2 A 92 GLY N N 15 107.2 0.2 A 93 ALA H H 1 7.90 0.02 A 93 ALA HA H 1 4.32 0.02 A 93 ALA HB% H 1 1.47 0.02 A 93 ALA C C 13 178.3 0.2 A 93 ALA CA C 13 53.1 0.2 A 93 ALA CB C 13 19.0 0.2 A 93 ALA N N 15 123.3 0.2 A 94 LEU H H 1 7.94 0.02 A 94 LEU HA H 1 4.29 0.02 A 94 LEU HBy H 1 1.71 0.02 A 94 LEU HBx H 1 1.59 0.02 A 94 LEU HD1% H 1 0.95 0.02 A 94 LEU HD2% H 1 0.89 0.02 A 94 LEU HG H 1 1.71 0.02 A 94 LEU C C 13 177.9 0.2 A 94 LEU CA C 13 55.9 0.2 A 94 LEU CB C 13 42.3 0.2 A 94 LEU CD1 C 13 25.1 0.2 A 94 LEU CD2 C 13 23.6 0.2 A 94 LEU CG C 13 27.1 0.2 A 94 LEU N N 15 119.8 0.2 A 95 GLU H H 1 8.13 0.02 A 95 GLU HA H 1 4.19 0.02 A 95 GLU HBx H 1 1.93 0.02 A 95 GLU HBy H 1 1.93 0.02 A 95 GLU HGy H 1 2.27 0.02 A 95 GLU HGx H 1 2.16 0.02 A 95 GLU C C 13 176.5 0.2 A 95 GLU CA C 13 56.9 0.2 A 95 GLU CB C 13 30.2 0.2 A 95 GLU CG C 13 36.2 0.2 A 95 GLU N N 15 120.1 0.2 A 96 HIS H H 1 8.16 0.02 A 96 HIS CA C 13 56.3 0.2 A 96 HIS CB C 13 30.3 0.2 A 96 HIS N N 15 119.2 0.2 B 1 PNS H28y H 1 3.74 0.02 B 1 PNS H28x H 1 3.45 0.02 B 1 PNS H3x% H 1 0.95 0.02 B 1 PNS H3y% H 1 0.95 0.02 B 1 PNS H32 H 1 4.00 0.02 B 1 PNS H36 H 1 8.02 0.02 B 1 PNS H37x H 1 3.51 0.02 B 1 PNS H37y H 1 3.51 0.02 B 1 PNS H38x H 1 2.49 0.02 B 1 PNS H38y H 1 2.49 0.02 B 1 PNS H41 H 1 8.15 0.02 B 1 PNS H42x H 1 3.29 0.02 B 1 PNS H42y H 1 3.29 0.02 B 1 PNS H43x H 1 2.54 0.02 B 1 PNS H43y H 1 2.54 0.02 B 1 PNS C28 C 13 73.8 0.2 B 1 PNS C30 C 13 26.0 0.2 B 1 PNS C31 C 13 26.0 0.2 B 1 PNS C32 C 13 77.1 0.2 B 1 PNS C34 C 13 177.3 0.2 B 1 PNS C37 C 13 38.2 0.2 B 1 PNS C38 C 13 38.2 0.2 B 1 PNS C39 C 13 176.3 0.2 B 1 PNS C42 C 13 45.2 0.2 B 1 PNS C43 C 13 26.2 0.2 B 1 PNS N36 N 15 119.6 0.2 B 1 PNS N41 N 15 123.7 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 MET HA A 1 MET HGx 1.0 1.8 5.0 2 1 A 1 MET HA A 1 MET HGy 1.0 1.8 5.0 3 2 A 10 THR HA A 10 THR HG2% 1.0 1.8 3.5 4 3 A 10 THR H A 10 THR HB 1.0 1.8 3.5 5 4 A 10 THR HG2% A 10 THR H 1.0 1.8 5.0 6 5 A 10 THR HB A 7 ARG HA 1.0 1.8 5.0 7 6 A 10 THR H A 7 ARG HA 1.0 1.8 5.0 8 7 A 10 THR H A 8 VAL HA 1.0 1.8 6.0 9 8 A 10 THR HA A 9 ALA HB% 1.0 1.8 5.0 10 9 A 10 THR HB A 9 ALA HB% 1.0 1.8 5.0 11 10 A 10 THR H A 9 ALA HB% 1.0 1.8 3.5 12 11 A 10 THR H A 9 ALA H 1.0 1.8 3.5 13 12 A 10 THR HB A 11 ILE HB 1.0 1.8 6.0 14 13 A 10 THR HB A 11 ILE HD1% 1.0 1.8 6.0 15 14 A 10 THR HB A 11 ILE H 1.0 1.8 5.0 16 15 A 10 THR HG2% A 11 ILE HA 1.0 1.8 5.0 17 16 A 10 THR HG2% A 11 ILE HG1x 1.0 1.8 5.0 18 17 A 10 THR HG2% A 11 ILE H 1.0 1.8 5.0 19 18 A 10 THR H A 11 ILE HB 1.0 1.8 6.0 20 19 A 10 THR H A 11 ILE HG1x 1.0 1.8 5.0 21 20 A 11 ILE HD1% A 11 ILE HA 1.0 1.8 5.0 22 21 A 11 ILE HA A 11 ILE HG1x 1.0 1.8 5.0 23 22 A 11 ILE HA A 11 ILE HG1y 1.0 1.8 3.5 24 23 A 11 ILE HA A 11 ILE HG2% 1.0 1.8 3.5 25 24 A 11 ILE HB A 11 ILE HD1% 1.0 1.8 3.5 26 25 A 11 ILE HG1x A 11 ILE HG2% 1.0 1.8 5.0 27 26 A 11 ILE HG1y A 11 ILE HG2% 1.0 1.8 5.0 28 27 A 11 ILE HB A 11 ILE H 1.0 1.8 3.5 29 28 A 11 ILE HD1% A 11 ILE H 1.0 1.8 5.0 30 29 A 11 ILE H A 11 ILE HG1x 1.0 1.8 3.5 31 30 A 11 ILE H A 11 ILE HG1y 1.0 1.8 5.0 32 31 A 11 ILE H A 11 ILE HG2% 1.0 1.8 5.0 33 32 A 8 VAL HA A 11 ILE HB 1.0 1.8 5.0 34 33 A 8 VAL HA A 11 ILE HD1% 1.0 1.8 3.5 35 34 A 8 VAL HA A 11 ILE HG1x 1.0 1.8 5.0 36 35 A 8 VAL HA A 11 ILE HG2% 1.0 1.8 5.0 37 36 A 8 VAL HA A 11 ILE H 1.0 1.8 5.0 38 37 A 11 ILE HB A 9 ALA HA 1.0 1.8 6.0 39 38 A 11 ILE HB A 12 ILE H 1.0 1.8 3.5 40 39 A 11 ILE HD1% A 12 ILE H 1.0 1.8 5.0 41 40 A 11 ILE HG2% A 12 ILE H 1.0 1.8 5.0 42 41 A 11 ILE H A 12 ILE H 1.0 1.8 3.5 43 42 A 12 ILE HA A 12 ILE HD1% 1.0 1.8 5.0 44 43 A 12 ILE HA A 12 ILE HG1x 1.0 1.8 5.0 45 44 A 12 ILE HA A 12 ILE HG1y 1.0 1.8 5.0 46 45 A 12 ILE HA A 12 ILE HG1x 1.0 1.8 5.0 47 45 A 12 ILE HA A 12 ILE HG1y 1.0 1.8 5.0 48 46 A 12 ILE HA A 12 ILE HG2% 1.0 1.8 3.5 49 47 A 12 ILE HD1% A 12 ILE HB 1.0 1.8 3.5 50 48 A 12 ILE HD1% A 12 ILE HG2% 1.0 1.8 2.7 51 49 A 12 ILE H A 12 ILE HB 1.0 1.8 3.5 52 50 A 12 ILE H A 12 ILE HD1% 1.0 1.8 5.0 53 51 A 12 ILE H A 12 ILE HG1x 1.0 1.8 5.0 54 52 A 12 ILE H A 12 ILE HG1y 1.0 1.8 5.0 55 53 A 12 ILE H A 12 ILE HG1x 1.0 1.8 3.5 56 53 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.5 57 54 A 12 ILE HD1% A 8 VAL HG1% 1.0 1.8 3.5 58 55 A 12 ILE H A 8 VAL HG1% 1.0 1.8 5.0 59 56 A 9 ALA HA A 12 ILE HB 1.0 1.8 5.0 60 57 A 9 ALA HA A 12 ILE HG1x 1.0 1.8 6.0 61 57 A 9 ALA HA A 12 ILE HG1y 1.0 1.8 6.0 62 58 A 9 ALA HA A 12 ILE H 1.0 1.8 5.0 63 59 A 9 ALA HB% A 12 ILE H 1.0 1.8 6.0 64 60 A 10 THR HA A 13 ALA HB% 1.0 1.8 3.5 65 61 A 10 THR HA A 13 ALA H 1.0 1.8 5.0 66 62 A 10 THR HG2% A 13 ALA HB% 1.0 1.8 5.0 67 63 A 10 THR H A 13 ALA HB% 1.0 1.8 5.0 68 64 A 11 ILE HA A 13 ALA H 1.0 1.8 6.0 69 65 A 11 ILE HG2% A 13 ALA H 1.0 1.8 6.0 70 66 A 11 ILE H A 13 ALA H 1.0 1.8 5.0 71 67 A 12 ILE HA A 13 ALA HA 1.0 1.8 5.0 72 68 A 12 ILE HA A 13 ALA HB% 1.0 1.8 6.0 73 69 A 12 ILE HB A 13 ALA H 1.0 1.8 3.5 74 70 A 12 ILE HD1% A 13 ALA H 1.0 1.8 5.0 75 71 A 12 ILE HG2% A 13 ALA HA 1.0 1.8 5.0 76 72 A 12 ILE HG2% A 13 ALA H 1.0 1.8 5.0 77 73 A 12 ILE H A 13 ALA HB% 1.0 1.8 5.0 78 74 A 12 ILE H A 13 ALA H 1.0 1.8 3.5 79 75 A 13 ALA HB% A 13 ALA H 1.0 1.8 3.5 80 76 A 9 ALA HA A 13 ALA H 1.0 1.8 5.0 81 77 A 10 THR HG2% A 14 GLU HBy 1.0 1.8 5.0 82 78 A 10 THR HG2% A 14 GLU HGx 1.0 1.8 5.0 83 79 A 10 THR HG2% A 14 GLU HGy 1.0 1.8 5.0 84 80 A 10 THR HG2% A 14 GLU HGx 1.0 1.8 3.5 85 80 A 10 THR HG2% A 14 GLU HGy 1.0 1.8 3.5 86 81 A 10 THR HG2% A 14 GLU H 1.0 1.8 5.0 87 82 A 11 ILE HA A 14 GLU HBx 1.0 1.8 6.0 88 83 A 11 ILE HA A 14 GLU HBy 1.0 1.8 5.0 89 84 A 11 ILE HA A 14 GLU HGx 1.0 1.8 5.0 90 84 A 11 ILE HA A 14 GLU HGy 1.0 1.8 5.0 91 85 A 11 ILE HA A 14 GLU H 1.0 1.8 5.0 92 86 A 12 ILE HG2% A 14 GLU H 1.0 1.8 6.0 93 87 A 13 ALA HB% A 14 GLU HBx 1.0 1.8 6.0 94 88 A 13 ALA HB% A 14 GLU HBy 1.0 1.8 5.0 95 89 A 13 ALA HB% A 14 GLU HGx 1.0 1.8 5.0 96 89 A 13 ALA HB% A 14 GLU HGy 1.0 1.8 5.0 97 90 A 13 ALA HB% A 14 GLU H 1.0 1.8 3.5 98 91 A 14 GLU HA A 14 GLU HGx 1.0 1.8 5.0 99 92 A 14 GLU HGy A 14 GLU HA 1.0 1.8 5.0 100 93 A 14 GLU HA A 14 GLU HGx 1.0 1.8 3.5 101 93 A 14 GLU HGy A 14 GLU HA 1.0 1.8 3.5 102 94 A 14 GLU H A 14 GLU HBx 1.0 1.8 5.0 103 95 A 14 GLU HBy A 14 GLU H 1.0 1.8 3.5 104 96 A 14 GLU H A 14 GLU HGx 1.0 1.8 5.0 105 97 A 14 GLU HGy A 14 GLU H 1.0 1.8 5.0 106 98 A 14 GLU H A 14 GLU HGx 1.0 1.8 3.5 107 98 A 14 GLU HGy A 14 GLU H 1.0 1.8 3.5 108 99 A 11 ILE HA A 15 THR H 1.0 1.8 5.0 109 100 A 11 ILE HG2% A 15 THR HB 1.0 1.8 5.0 110 101 A 11 ILE HG2% A 15 THR H 1.0 1.8 5.0 111 102 A 12 ILE HA A 15 THR HB 1.0 1.8 5.0 112 103 A 12 ILE HA A 15 THR HG2% 1.0 1.8 5.0 113 104 A 12 ILE HA A 15 THR H 1.0 1.8 5.0 114 105 A 12 ILE HG2% A 15 THR H 1.0 1.8 5.0 115 106 A 13 ALA HB% A 15 THR H 1.0 1.8 5.0 116 107 A 14 GLU HBx A 15 THR H 1.0 1.8 5.0 117 108 A 14 GLU HBy A 15 THR H 1.0 1.8 5.0 118 109 A 15 THR H A 14 GLU HGx 1.0 1.8 5.0 119 109 A 14 GLU HGy A 15 THR H 1.0 1.8 5.0 120 110 A 15 THR HG2% A 15 THR HA 1.0 1.8 3.5 121 111 A 15 THR H A 15 THR HB 1.0 1.8 3.5 122 112 A 15 THR H A 15 THR HG1 1.0 1.8 5.0 123 113 A 15 THR H A 15 THR HG2% 1.0 1.8 5.0 124 114 A 12 ILE HA A 16 CYS H 1.0 1.8 5.0 125 115 A 12 ILE HG2% A 16 CYS HBy 1.0 1.8 5.0 126 115 A 12 ILE HG2% A 16 CYS HBx 1.0 1.8 5.0 127 116 A 12 ILE HG2% A 16 CYS H 1.0 1.8 5.0 128 117 A 14 GLU HBy A 16 CYS H 1.0 1.8 6.0 129 118 A 15 THR HB A 16 CYS H 1.0 1.8 5.0 130 119 A 15 THR HG2% A 16 CYS HA 1.0 1.8 5.0 131 120 A 15 THR HG2% A 16 CYS H 1.0 1.8 5.0 132 121 A 15 THR H A 16 CYS HBy 1.0 1.8 6.0 133 121 A 15 THR H A 16 CYS HBx 1.0 1.8 6.0 134 122 A 15 THR H A 16 CYS H 1.0 1.8 3.5 135 123 A 16 CYS H A 16 CYS HBx 1.0 1.8 5.0 136 124 A 16 CYS H A 16 CYS HBy 1.0 1.8 5.0 137 125 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.5 138 125 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.5 139 126 A 12 ILE HG2% A 17 ASP H 1.0 1.8 6.0 140 127 A 13 ALA HA A 17 ASP H 1.0 1.8 5.0 141 128 A 14 GLU HA A 17 ASP H 1.0 1.8 5.0 142 129 A 15 THR H A 17 ASP H 1.0 1.8 5.0 143 130 A 16 CYS H A 17 ASP HA 1.0 1.8 5.0 144 131 A 16 CYS H A 17 ASP H 1.0 1.8 3.5 145 132 A 17 ASP H A 17 ASP HA 1.0 1.8 3.5 146 133 A 17 ASP H A 17 ASP HBx 1.0 1.8 5.0 147 134 A 17 ASP H A 17 ASP HBy 1.0 1.8 5.0 148 135 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.5 149 135 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.5 150 136 A 13 ALA HA A 18 ILE HB 1.0 1.8 5.0 151 137 A 13 ALA HA A 18 ILE HD1% 1.0 1.8 6.0 152 138 A 13 ALA HA A 18 ILE H 1.0 1.8 3.5 153 139 A 13 ALA HB% A 18 ILE H 1.0 1.8 5.0 154 140 A 16 CYS HA A 18 ILE HD1% 1.0 1.8 5.0 155 141 A 16 CYS HBx A 18 ILE HG1x 1.0 1.8 5.0 156 142 A 16 CYS HBx A 18 ILE HG1y 1.0 1.8 5.0 157 143 A 16 CYS HBy A 18 ILE HG1x 1.0 1.8 5.0 158 144 A 18 ILE HG1y A 16 CYS HBy 1.0 1.8 5.0 159 145 A 18 ILE HD1% A 16 CYS HBy 1.0 1.8 5.0 160 145 A 16 CYS HBx A 18 ILE HD1% 1.0 1.8 5.0 161 146 A 16 CYS HBx A 18 ILE HG1x 1.0 1.8 3.5 162 146 A 16 CYS HBy A 18 ILE HG1x 1.0 1.8 3.5 163 146 A 18 ILE HG1y A 16 CYS HBy 1.0 1.8 3.5 164 146 A 16 CYS HBx A 18 ILE HG1y 1.0 1.8 3.5 165 147 A 18 ILE H A 16 CYS HBy 1.0 1.8 5.0 166 147 A 16 CYS HBx A 18 ILE H 1.0 1.8 5.0 167 148 A 16 CYS H A 18 ILE HD1% 1.0 1.8 6.0 168 149 A 16 CYS H A 18 ILE H 1.0 1.8 5.0 169 150 A 17 ASP HA A 18 ILE H 1.0 1.8 3.5 170 151 A 18 ILE HD1% A 17 ASP HBx 1.0 1.8 5.0 171 151 A 17 ASP HBy A 18 ILE HD1% 1.0 1.8 5.0 172 152 A 17 ASP H A 18 ILE HB 1.0 1.8 6.0 173 153 A 17 ASP H A 18 ILE HD1% 1.0 1.8 5.0 174 154 A 17 ASP H A 18 ILE H 1.0 1.8 3.5 175 155 A 18 ILE HD1% A 18 ILE HA 1.0 1.8 5.0 176 156 A 18 ILE HA A 18 ILE HG1x 1.0 1.8 5.0 177 157 A 18 ILE HG1y A 18 ILE HA 1.0 1.8 5.0 178 158 A 18 ILE HA A 18 ILE HG1x 1.0 1.8 5.0 179 158 A 18 ILE HG1y A 18 ILE HA 1.0 1.8 5.0 180 159 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 3.5 181 160 A 18 ILE HB A 18 ILE HD1% 1.0 1.8 5.0 182 161 A 18 ILE HB A 18 ILE H 1.0 1.8 3.5 183 162 A 18 ILE HD1% A 18 ILE H 1.0 1.8 5.0 184 163 A 18 ILE H A 18 ILE HG1x 1.0 1.8 5.0 185 164 A 18 ILE H A 18 ILE HG1y 1.0 1.8 5.0 186 165 A 18 ILE H A 18 ILE HG1x 1.0 1.8 5.0 187 165 A 18 ILE H A 18 ILE HG1y 1.0 1.8 5.0 188 166 A 18 ILE H A 18 ILE HG2% 1.0 1.8 5.0 189 167 A 13 ALA HB% A 19 PRO HA 1.0 1.8 5.0 190 168 A 18 ILE HA A 19 PRO HDx 1.0 1.8 3.5 191 169 A 18 ILE HA A 19 PRO HDy 1.0 1.8 3.5 192 170 A 18 ILE HA A 19 PRO HDx 1.0 1.8 3.5 193 170 A 18 ILE HA A 19 PRO HDy 1.0 1.8 3.5 194 171 A 18 ILE HA A 19 PRO HGx 1.0 1.8 5.0 195 172 A 18 ILE HA A 19 PRO HGy 1.0 1.8 5.0 196 173 A 18 ILE HA A 19 PRO HGx 1.0 1.8 5.0 197 173 A 18 ILE HA A 19 PRO HGy 1.0 1.8 5.0 198 174 A 18 ILE HB A 19 PRO HDx 1.0 1.8 5.0 199 175 A 18 ILE HB A 19 PRO HDy 1.0 1.8 5.0 200 176 A 18 ILE HB A 19 PRO HDx 1.0 1.8 5.0 201 176 A 18 ILE HB A 19 PRO HDy 1.0 1.8 5.0 202 177 A 18 ILE HD1% A 19 PRO HDx 1.0 1.8 5.0 203 177 A 18 ILE HD1% A 19 PRO HDy 1.0 1.8 5.0 204 178 A 18 ILE HG2% A 19 PRO HA 1.0 1.8 5.0 205 179 A 18 ILE HG2% A 19 PRO HDx 1.0 1.8 3.5 206 180 A 18 ILE HG2% A 19 PRO HDy 1.0 1.8 3.5 207 181 A 18 ILE HG2% A 19 PRO HDx 1.0 1.8 3.5 208 181 A 18 ILE HG2% A 19 PRO HDy 1.0 1.8 3.5 209 182 A 18 ILE HG2% A 19 PRO HGx 1.0 1.8 5.0 210 182 A 18 ILE HG2% A 19 PRO HGy 1.0 1.8 5.0 211 183 A 2 THR HA A 2 THR HG2% 1.0 1.8 5.0 212 184 A 10 THR HA A 20 ARG HBx 1.0 1.8 5.0 213 184 A 10 THR HA A 20 ARG HBy 1.0 1.8 5.0 214 185 A 10 THR HA A 20 ARG HDx 1.0 1.8 5.0 215 186 A 10 THR HG2% A 20 ARG HBx 1.0 1.8 6.0 216 186 A 10 THR HG2% A 20 ARG HBy 1.0 1.8 6.0 217 187 A 13 ALA HB% A 20 ARG HA 1.0 1.8 5.0 218 188 A 13 ALA HB% A 20 ARG HBx 1.0 1.8 5.0 219 188 A 13 ALA HB% A 20 ARG HBy 1.0 1.8 5.0 220 189 A 13 ALA HB% A 20 ARG HDx 1.0 1.8 5.0 221 190 A 13 ALA HB% A 20 ARG HDy 1.0 1.8 5.0 222 191 A 13 ALA HB% A 20 ARG H 1.0 1.8 5.0 223 192 A 19 PRO HA A 20 ARG H 1.0 1.8 3.5 224 193 A 20 ARG H A 19 PRO HBx 1.0 1.8 5.0 225 194 A 20 ARG HDx A 20 ARG HA 1.0 1.8 5.0 226 195 A 20 ARG HA A 20 ARG HDy 1.0 1.8 5.0 227 196 A 20 ARG HDx A 20 ARG HBx 1.0 1.8 5.0 228 196 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 5.0 229 197 A 20 ARG HDy A 20 ARG HBx 1.0 1.8 5.0 230 197 A 20 ARG HBy A 20 ARG HDy 1.0 1.8 5.0 231 198 A 20 ARG HDy A 20 ARG HH1% 1.0 1.8 5.0 232 199 A 20 ARG H A 20 ARG HBx 1.0 1.8 3.5 233 199 A 20 ARG HBy A 20 ARG H 1.0 1.8 3.5 234 200 A 9 ALA HB% A 20 ARG HDx 1.0 1.8 5.0 235 201 A 9 ALA HB% A 20 ARG HDy 1.0 1.8 5.0 236 202 A 19 PRO HA A 21 GLU H 1.0 1.8 5.0 237 203 A 19 PRO HBx A 21 GLU H 1.0 1.8 5.0 238 204 A 21 GLU H A 20 ARG HBx 1.0 1.8 3.5 239 204 A 20 ARG HBy A 21 GLU H 1.0 1.8 3.5 240 205 A 20 ARG HDx A 21 GLU H 1.0 1.8 6.0 241 206 A 20 ARG HDy A 21 GLU H 1.0 1.8 6.0 242 207 A 21 GLU H A 20 ARG HGy 1.0 1.8 5.0 243 207 A 21 GLU H A 20 ARG HGx 1.0 1.8 5.0 244 208 A 20 ARG H A 21 GLU H 1.0 1.8 5.0 245 209 A 21 GLU HA A 21 GLU HBx 1.0 1.8 3.5 246 209 A 21 GLU HA A 21 GLU HBy 1.0 1.8 3.5 247 210 A 21 GLU HA A 21 GLU HGx 1.0 1.8 5.0 248 210 A 21 GLU HA A 21 GLU HGy 1.0 1.8 5.0 249 211 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.5 250 211 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.5 251 212 A 21 GLU H A 21 GLU HGx 1.0 1.8 5.0 252 213 A 21 GLU H A 21 GLU HGy 1.0 1.8 5.0 253 214 A 21 GLU H A 21 GLU HGx 1.0 1.8 3.5 254 214 A 21 GLU H A 21 GLU HGy 1.0 1.8 3.5 255 215 A 18 ILE HG2% A 22 THR HB 1.0 1.8 5.0 256 216 A 18 ILE HG2% A 22 THR H 1.0 1.8 5.0 257 217 A 19 PRO HA A 22 THR HG2% 1.0 1.8 6.0 258 218 A 19 PRO HBx A 22 THR HG2% 1.0 1.8 5.0 259 219 A 19 PRO HBx A 22 THR H 1.0 1.8 5.0 260 220 A 22 THR HG2% A 19 PRO HBy 1.0 1.8 5.0 261 221 A 22 THR H A 19 PRO HBy 1.0 1.8 5.0 262 222 A 22 THR HG2% A 19 PRO HDx 1.0 1.8 5.0 263 223 A 19 PRO HDy A 22 THR HG2% 1.0 1.8 5.0 264 224 A 22 THR HG2% A 19 PRO HDx 1.0 1.8 5.0 265 224 A 19 PRO HDy A 22 THR HG2% 1.0 1.8 5.0 266 225 A 22 THR HB A 19 PRO HGx 1.0 1.8 5.0 267 225 A 19 PRO HGy A 22 THR HB 1.0 1.8 5.0 268 226 A 22 THR HG2% A 19 PRO HGx 1.0 1.8 3.5 269 226 A 19 PRO HGy A 22 THR HG2% 1.0 1.8 3.5 270 227 A 20 ARG HA A 22 THR H 1.0 1.8 5.0 271 228 A 22 THR HG2% A 21 GLU HBx 1.0 1.8 5.0 272 228 A 21 GLU HBy A 22 THR HG2% 1.0 1.8 5.0 273 229 A 22 THR H A 21 GLU HBx 1.0 1.8 5.0 274 229 A 21 GLU HBy A 22 THR H 1.0 1.8 5.0 275 230 A 22 THR HG2% A 21 GLU HGx 1.0 1.8 5.0 276 231 A 22 THR H A 21 GLU HGx 1.0 1.8 5.0 277 232 A 21 GLU HGy A 22 THR HG2% 1.0 1.8 5.0 278 233 A 21 GLU HGy A 22 THR H 1.0 1.8 5.0 279 234 A 22 THR HA A 21 GLU HGx 1.0 1.8 5.0 280 234 A 21 GLU HGy A 22 THR HA 1.0 1.8 5.0 281 235 A 22 THR HG2% A 21 GLU HGx 1.0 1.8 3.5 282 235 A 21 GLU HGy A 22 THR HG2% 1.0 1.8 3.5 283 236 A 22 THR H A 21 GLU HGx 1.0 1.8 5.0 284 236 A 21 GLU HGy A 22 THR H 1.0 1.8 5.0 285 237 A 21 GLU H A 22 THR HG2% 1.0 1.8 5.0 286 238 A 21 GLU H A 22 THR H 1.0 1.8 5.0 287 239 A 22 THR HB A 22 THR HA 1.0 1.8 3.5 288 240 A 22 THR HG2% A 22 THR HA 1.0 1.8 3.5 289 241 A 22 THR H A 22 THR HG2% 1.0 1.8 3.5 290 242 A 10 THR HA A 23 ILE HD1% 1.0 1.8 6.0 291 243 A 12 ILE H A 23 ILE HD1% 1.0 1.8 5.0 292 244 A 13 ALA HA A 23 ILE HD1% 1.0 1.8 5.0 293 245 A 13 ALA HB% A 23 ILE HD1% 1.0 1.8 3.5 294 246 A 13 ALA H A 23 ILE HD1% 1.0 1.8 5.0 295 247 A 14 GLU H A 23 ILE HD1% 1.0 1.8 6.0 296 248 A 18 ILE HB A 23 ILE HD1% 1.0 1.8 5.0 297 249 A 18 ILE HG2% A 23 ILE HG1x 1.0 1.8 3.5 298 250 A 19 PRO HA A 23 ILE HD1% 1.0 1.8 6.0 299 251 A 20 ARG HA A 23 ILE HB 1.0 1.8 5.0 300 252 A 20 ARG HA A 23 ILE HD1% 1.0 1.8 3.5 301 253 A 20 ARG HA A 23 ILE HG1x 1.0 1.8 5.0 302 254 A 20 ARG HA A 23 ILE H 1.0 1.8 5.0 303 255 A 20 ARG HDx A 23 ILE HD1% 1.0 1.8 5.0 304 256 A 20 ARG HDy A 23 ILE HD1% 1.0 1.8 5.0 305 257 A 23 ILE HG2% A 20 ARG HGy 1.0 1.8 5.0 306 257 A 20 ARG HGx A 23 ILE HG2% 1.0 1.8 5.0 307 258 A 20 ARG H A 23 ILE HD1% 1.0 1.8 5.0 308 259 A 21 GLU HA A 23 ILE H 1.0 1.8 5.0 309 260 A 21 GLU H A 23 ILE HD1% 1.0 1.8 5.0 310 261 A 21 GLU H A 23 ILE H 1.0 1.8 5.0 311 262 A 22 THR HA A 23 ILE HA 1.0 1.8 5.0 312 263 A 22 THR HB A 23 ILE H 1.0 1.8 5.0 313 264 A 22 THR HG2% A 23 ILE H 1.0 1.8 5.0 314 265 A 22 THR H A 23 ILE HA 1.0 1.8 6.0 315 266 A 22 THR H A 23 ILE HG1x 1.0 1.8 5.0 316 267 A 22 THR H A 23 ILE H 1.0 1.8 3.5 317 268 A 23 ILE HD1% A 23 ILE HA 1.0 1.8 5.0 318 269 A 23 ILE HG1x A 23 ILE HA 1.0 1.8 5.0 319 270 A 23 ILE HA A 23 ILE HG1y 1.0 1.8 5.0 320 271 A 23 ILE HG2% A 23 ILE HA 1.0 1.8 3.5 321 272 A 23 ILE HD1% A 23 ILE HB 1.0 1.8 3.5 322 273 A 23 ILE HD1% A 23 ILE HG2% 1.0 1.8 3.5 323 274 A 23 ILE HG1x A 23 ILE HG2% 1.0 1.8 5.0 324 275 A 23 ILE HB A 23 ILE H 1.0 1.8 3.5 325 276 A 23 ILE HD1% A 23 ILE H 1.0 1.8 5.0 326 277 A 23 ILE HG1x A 23 ILE H 1.0 1.8 3.5 327 278 A 23 ILE H A 23 ILE HG1y 1.0 1.8 5.0 328 279 A 23 ILE H A 23 ILE HG2% 1.0 1.8 5.0 329 280 A 23 ILE HG2% A 5 PHE HE% 1.0 1.8 5.0 330 281 A 23 ILE HG2% A 5 PHE HZ 1.0 1.8 3.5 331 282 A 9 ALA HA A 23 ILE HB 1.0 1.8 6.0 332 283 A 9 ALA HA A 23 ILE HD1% 1.0 1.8 5.0 333 284 A 9 ALA HA A 23 ILE HG2% 1.0 1.8 3.5 334 285 A 9 ALA HB% A 23 ILE HB 1.0 1.8 5.0 335 286 A 9 ALA H A 23 ILE HG2% 1.0 1.8 5.0 336 287 A 22 THR HA A 24 THR HG2% 1.0 1.8 5.0 337 288 A 23 ILE HA A 24 THR HG2% 1.0 1.8 6.0 338 289 A 23 ILE HA A 24 THR H 1.0 1.8 3.5 339 290 A 23 ILE HG2% A 24 THR HA 1.0 1.8 5.0 340 291 A 23 ILE HG2% A 24 THR H 1.0 1.8 5.0 341 292 A 23 ILE H A 24 THR HG2% 1.0 1.8 5.0 342 293 A 23 ILE H A 24 THR H 1.0 1.8 5.0 343 294 A 24 THR HG2% A 24 THR HA 1.0 1.8 3.5 344 295 A 24 THR HG2% A 24 THR H 1.0 1.8 5.0 345 296 A 5 PHE HE% A 24 THR HA 1.0 1.8 5.0 346 297 A 5 PHE HZ A 24 THR HA 1.0 1.8 3.5 347 298 A 5 PHE HZ A 24 THR HB 1.0 1.8 6.0 348 299 A 24 THR HA A 25 PRO HDx 1.0 1.8 5.0 349 300 A 24 THR HA A 25 PRO HDy 1.0 1.8 5.0 350 301 A 24 THR HA A 25 PRO HDx 1.0 1.8 3.5 351 301 A 24 THR HA A 25 PRO HDy 1.0 1.8 3.5 352 302 A 24 THR HA A 25 PRO HGy 1.0 1.8 5.0 353 303 A 24 THR HA A 25 PRO HGx 1.0 1.8 5.0 354 304 A 24 THR HA A 25 PRO HGy 1.0 1.8 5.0 355 304 A 24 THR HA A 25 PRO HGx 1.0 1.8 5.0 356 305 A 24 THR HB A 25 PRO HDx 1.0 1.8 5.0 357 306 A 24 THR HB A 25 PRO HDy 1.0 1.8 5.0 358 307 A 24 THR HB A 25 PRO HDx 1.0 1.8 3.5 359 307 A 24 THR HB A 25 PRO HDy 1.0 1.8 3.5 360 308 A 24 THR HB A 25 PRO HGy 1.0 1.8 5.0 361 308 A 24 THR HB A 25 PRO HGx 1.0 1.8 5.0 362 309 A 24 THR HG2% A 25 PRO HDx 1.0 1.8 5.0 363 310 A 24 THR HG2% A 25 PRO HDy 1.0 1.8 5.0 364 311 A 24 THR HG2% A 25 PRO HGy 1.0 1.8 5.0 365 311 A 24 THR HG2% A 25 PRO HGx 1.0 1.8 5.0 366 312 A 5 PHE HD% A 25 PRO HA 1.0 1.8 5.0 367 313 A 5 PHE HD% A 25 PRO HGy 1.0 1.8 6.0 368 313 A 25 PRO HGx A 5 PHE HD% 1.0 1.8 6.0 369 314 A 5 PHE HE% A 25 PRO HA 1.0 1.8 5.0 370 315 A 5 PHE HE% A 25 PRO HDx 1.0 1.8 5.0 371 315 A 5 PHE HE% A 25 PRO HDy 1.0 1.8 5.0 372 316 A 5 PHE HE% A 25 PRO HGy 1.0 1.8 6.0 373 316 A 5 PHE HE% A 25 PRO HGx 1.0 1.8 6.0 374 317 A 5 PHE HZ A 25 PRO HA 1.0 1.8 5.0 375 318 A 5 PHE HZ A 25 PRO HDx 1.0 1.8 5.0 376 319 A 5 PHE HZ A 25 PRO HDy 1.0 1.8 5.0 377 320 A 5 PHE HZ A 25 PRO HDx 1.0 1.8 5.0 378 320 A 5 PHE HZ A 25 PRO HDy 1.0 1.8 5.0 379 321 A 24 THR HA A 26 GLU H 1.0 1.8 5.0 380 322 A 24 THR HB A 26 GLU H 1.0 1.8 5.0 381 323 A 24 THR HG2% A 26 GLU HBx 1.0 1.8 5.0 382 323 A 24 THR HG2% A 26 GLU HBy 1.0 1.8 5.0 383 324 A 24 THR HG2% A 26 GLU H 1.0 1.8 5.0 384 325 A 26 GLU H A 25 PRO HBx 1.0 1.8 5.0 385 326 A 25 PRO HBy A 26 GLU HA 1.0 1.8 6.0 386 327 A 26 GLU H A 25 PRO HBy 1.0 1.8 5.0 387 328 A 26 GLU H A 25 PRO HDx 1.0 1.8 5.0 388 329 A 25 PRO HDy A 26 GLU H 1.0 1.8 5.0 389 330 A 26 GLU H A 25 PRO HDx 1.0 1.8 5.0 390 330 A 25 PRO HDy A 26 GLU H 1.0 1.8 5.0 391 331 A 26 GLU HA A 26 GLU HGx 1.0 1.8 5.0 392 332 A 26 GLU HA A 26 GLU HGy 1.0 1.8 5.0 393 333 A 26 GLU HA A 26 GLU HGx 1.0 1.8 3.5 394 333 A 26 GLU HA A 26 GLU HGy 1.0 1.8 3.5 395 334 A 26 GLU H A 26 GLU HBx 1.0 1.8 5.0 396 335 A 26 GLU H A 26 GLU HBy 1.0 1.8 5.0 397 336 A 26 GLU H A 26 GLU HBx 1.0 1.8 3.5 398 336 A 26 GLU H A 26 GLU HBy 1.0 1.8 3.5 399 337 A 26 GLU H A 26 GLU HGx 1.0 1.8 5.0 400 338 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.0 401 339 A 26 GLU H A 26 GLU HGx 1.0 1.8 5.0 402 339 A 26 GLU H A 26 GLU HGy 1.0 1.8 5.0 403 340 A 23 ILE HG2% A 27 SER HBy 1.0 1.8 5.0 404 340 A 23 ILE HG2% A 27 SER HBx 1.0 1.8 5.0 405 341 A 24 THR HA A 27 SER H 1.0 1.8 6.0 406 342 A 24 THR HB A 27 SER H 1.0 1.8 5.0 407 343 A 24 THR HG2% A 27 SER H 1.0 1.8 6.0 408 344 A 24 THR H A 27 SER HBy 1.0 1.8 5.0 409 344 A 24 THR H A 27 SER HBx 1.0 1.8 5.0 410 345 A 24 THR H A 27 SER H 1.0 1.8 5.0 411 346 A 25 PRO HA A 27 SER H 1.0 1.8 5.0 412 347 A 27 SER H A 26 GLU HBx 1.0 1.8 5.0 413 347 A 26 GLU HBy A 27 SER H 1.0 1.8 5.0 414 348 A 27 SER H A 26 GLU HGx 1.0 1.8 6.0 415 348 A 26 GLU HGy A 27 SER H 1.0 1.8 6.0 416 349 A 26 GLU H A 27 SER HA 1.0 1.8 5.0 417 350 A 26 GLU H A 27 SER H 1.0 1.8 3.5 418 351 A 27 SER H A 27 SER HBy 1.0 1.8 3.5 419 351 A 27 SER HBx A 27 SER H 1.0 1.8 3.5 420 352 A 27 SER HA A 28 HIS H 1.0 1.8 3.5 421 353 A 27 SER HBx A 28 HIS H 1.0 1.8 5.0 422 354 A 28 HIS H A 27 SER HBy 1.0 1.8 5.0 423 355 A 28 HIS HA A 28 HIS HD2 1.0 1.8 3.5 424 356 A 28 HIS HD2 A 28 HIS HBy 1.0 1.8 5.0 425 357 A 28 HIS H A 28 HIS HBy 1.0 1.8 5.0 426 358 A 28 HIS HA A 29 ALA H 1.0 1.8 3.5 427 359 A 29 ALA H A 28 HIS HBx 1.0 1.8 6.0 428 360 A 28 HIS HBy A 29 ALA H 1.0 1.8 6.0 429 361 A 28 HIS H A 29 ALA H 1.0 1.8 6.0 430 362 A 29 ALA H A 29 ALA HB% 1.0 1.8 3.5 431 363 A 28 HIS HA A 30 ILE H 1.0 1.8 6.0 432 364 A 28 HIS HBx A 30 ILE H 1.0 1.8 6.0 433 365 A 28 HIS HE1 A 30 ILE HA 1.0 1.8 6.0 434 366 A 28 HIS HE1 A 30 ILE HB 1.0 1.8 3.5 435 367 A 28 HIS HE1 A 30 ILE HD1% 1.0 1.8 3.5 436 368 A 28 HIS HE1 A 30 ILE HG1x 1.0 1.8 5.0 437 369 A 28 HIS HE1 A 30 ILE HG1y 1.0 1.8 5.0 438 370 A 28 HIS HE1 A 30 ILE HG1x 1.0 1.8 3.5 439 370 A 28 HIS HE1 A 30 ILE HG1y 1.0 1.8 3.5 440 371 A 28 HIS HE1 A 30 ILE HG2% 1.0 1.8 5.0 441 372 A 30 ILE H A 28 HIS HE1 1.0 1.8 5.0 442 373 A 29 ALA HB% A 30 ILE HA 1.0 1.8 5.0 443 374 A 29 ALA HB% A 30 ILE HD1% 1.0 1.8 5.0 444 375 A 29 ALA HB% A 30 ILE HG1x 1.0 1.8 5.0 445 375 A 29 ALA HB% A 30 ILE HG1y 1.0 1.8 5.0 446 376 A 29 ALA HB% A 30 ILE H 1.0 1.8 5.0 447 377 A 29 ALA H A 30 ILE H 1.0 1.8 5.0 448 378 A 30 ILE HA A 30 ILE HD1% 1.0 1.8 5.0 449 379 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 5.0 450 380 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 5.0 451 381 A 30 ILE HA A 30 ILE HG1x 1.0 1.8 5.0 452 381 A 30 ILE HA A 30 ILE HG1y 1.0 1.8 5.0 453 382 A 30 ILE HA A 30 ILE HG2% 1.0 1.8 3.5 454 383 A 30 ILE HB A 30 ILE HD1% 1.0 1.8 5.0 455 384 A 30 ILE HD1% A 30 ILE HG2% 1.0 1.8 3.5 456 385 A 30 ILE H A 30 ILE HB 1.0 1.8 5.0 457 386 A 30 ILE H A 30 ILE HD1% 1.0 1.8 5.0 458 387 A 30 ILE H A 30 ILE HG1x 1.0 1.8 5.0 459 388 A 30 ILE H A 30 ILE HG1y 1.0 1.8 5.0 460 389 A 30 ILE H A 30 ILE HG1x 1.0 1.8 5.0 461 389 A 30 ILE H A 30 ILE HG1y 1.0 1.8 5.0 462 390 A 30 ILE H A 30 ILE HG2% 1.0 1.8 5.0 463 391 A 28 HIS HBx A 31 ASP HBx 1.0 1.8 5.0 464 392 A 28 HIS HBx A 31 ASP HBy 1.0 1.8 5.0 465 393 A 28 HIS HBx A 31 ASP HBx 1.0 1.8 5.0 466 393 A 28 HIS HBx A 31 ASP HBy 1.0 1.8 5.0 467 394 A 28 HIS HBx A 31 ASP H 1.0 1.8 5.0 468 395 A 28 HIS HBy A 31 ASP HBx 1.0 1.8 5.0 469 396 A 28 HIS HBy A 31 ASP HBy 1.0 1.8 5.0 470 397 A 28 HIS HBy A 31 ASP HBx 1.0 1.8 5.0 471 397 A 28 HIS HBy A 31 ASP HBy 1.0 1.8 5.0 472 398 A 28 HIS HBy A 31 ASP H 1.0 1.8 5.0 473 399 A 28 HIS HE1 A 31 ASP H 1.0 1.8 5.0 474 400 A 28 HIS H A 31 ASP H 1.0 1.8 5.0 475 401 A 30 ILE HB A 31 ASP H 1.0 1.8 5.0 476 402 A 30 ILE HG2% A 31 ASP HA 1.0 1.8 5.0 477 403 A 30 ILE HG2% A 31 ASP H 1.0 1.8 6.0 478 404 A 31 ASP H A 31 ASP HBx 1.0 1.8 5.0 479 404 A 31 ASP HBy A 31 ASP H 1.0 1.8 5.0 480 405 A 27 SER HA A 32 ASP HBx 1.0 1.8 5.0 481 406 A 27 SER HA A 32 ASP HBy 1.0 1.8 5.0 482 407 A 27 SER HA A 32 ASP HBx 1.0 1.8 5.0 483 407 A 27 SER HA A 32 ASP HBy 1.0 1.8 5.0 484 408 A 27 SER HBx A 32 ASP HBx 1.0 1.8 5.0 485 408 A 27 SER HBy A 32 ASP HBx 1.0 1.8 5.0 486 408 A 32 ASP HBy A 27 SER HBy 1.0 1.8 5.0 487 408 A 27 SER HBx A 32 ASP HBy 1.0 1.8 5.0 488 409 A 28 HIS H A 32 ASP HA 1.0 1.8 6.0 489 410 A 28 HIS H A 32 ASP HBx 1.0 1.8 5.0 490 411 A 28 HIS H A 32 ASP HBy 1.0 1.8 5.0 491 412 A 28 HIS H A 32 ASP HBx 1.0 1.8 3.5 492 412 A 28 HIS H A 32 ASP HBy 1.0 1.8 3.5 493 413 A 28 HIS H A 32 ASP H 1.0 1.8 5.0 494 414 A 30 ILE HG2% A 32 ASP H 1.0 1.8 6.0 495 415 A 31 ASP HA A 32 ASP HBx 1.0 1.8 6.0 496 415 A 31 ASP HA A 32 ASP HBy 1.0 1.8 6.0 497 416 A 32 ASP H A 31 ASP HBx 1.0 1.8 5.0 498 417 A 31 ASP HBy A 32 ASP H 1.0 1.8 5.0 499 418 A 32 ASP H A 31 ASP HBx 1.0 1.8 5.0 500 418 A 31 ASP HBy A 32 ASP H 1.0 1.8 5.0 501 419 A 31 ASP H A 32 ASP HBx 1.0 1.8 5.0 502 419 A 31 ASP H A 32 ASP HBy 1.0 1.8 5.0 503 420 A 32 ASP H A 32 ASP HBx 1.0 1.8 3.5 504 420 A 32 ASP HBy A 32 ASP H 1.0 1.8 3.5 505 421 A 18 ILE HD1% A 33 LEU HBx 1.0 1.8 5.0 506 422 A 33 LEU HA A 18 ILE HG1x 1.0 1.8 6.0 507 422 A 18 ILE HG1y A 33 LEU HA 1.0 1.8 6.0 508 423 A 23 ILE HA A 33 LEU HD2% 1.0 1.8 5.0 509 424 A 24 THR H A 33 LEU HD2% 1.0 1.8 6.0 510 425 A 27 SER HA A 33 LEU HD2% 1.0 1.8 6.0 511 426 A 33 LEU HD2% A 27 SER HBy 1.0 1.8 5.0 512 426 A 27 SER HBx A 33 LEU HD2% 1.0 1.8 5.0 513 427 A 33 LEU HG A 27 SER HBy 1.0 1.8 5.0 514 427 A 27 SER HBx A 33 LEU HG 1.0 1.8 5.0 515 428 A 28 HIS H A 33 LEU H 1.0 1.8 6.0 516 429 A 33 LEU HA A 29 ALA HA 1.0 1.8 6.0 517 430 A 29 ALA HA A 33 LEU HBy 1.0 1.8 5.0 518 431 A 29 ALA HA A 33 LEU HD1% 1.0 1.8 3.5 519 432 A 33 LEU HG A 29 ALA HA 1.0 1.8 5.0 520 433 A 33 LEU H A 29 ALA HA 1.0 1.8 5.0 521 434 A 29 ALA HB% A 33 LEU HBy 1.0 1.8 5.0 522 435 A 29 ALA HB% A 33 LEU HD1% 1.0 1.8 5.0 523 436 A 29 ALA HB% A 33 LEU H 1.0 1.8 5.0 524 437 A 29 ALA H A 33 LEU HD1% 1.0 1.8 5.0 525 438 A 30 ILE HA A 33 LEU H 1.0 1.8 6.0 526 439 A 31 ASP HA A 33 LEU H 1.0 1.8 6.0 527 440 A 32 ASP HA A 33 LEU HD2% 1.0 1.8 6.0 528 441 A 33 LEU HD2% A 32 ASP HBx 1.0 1.8 5.0 529 442 A 33 LEU H A 32 ASP HBx 1.0 1.8 5.0 530 443 A 32 ASP HBy A 33 LEU HD2% 1.0 1.8 5.0 531 444 A 32 ASP HBy A 33 LEU H 1.0 1.8 5.0 532 445 A 33 LEU HD2% A 32 ASP HBx 1.0 1.8 5.0 533 445 A 32 ASP HBy A 33 LEU HD2% 1.0 1.8 5.0 534 446 A 33 LEU H A 32 ASP HBx 1.0 1.8 3.5 535 446 A 32 ASP HBy A 33 LEU H 1.0 1.8 3.5 536 447 A 32 ASP H A 33 LEU HD2% 1.0 1.8 6.0 537 448 A 32 ASP H A 33 LEU H 1.0 1.8 3.5 538 449 A 33 LEU HA A 33 LEU HD1% 1.0 1.8 5.0 539 450 A 33 LEU HA A 33 LEU HD2% 1.0 1.8 3.5 540 451 A 33 LEU HBx A 33 LEU HD1% 1.0 1.8 5.0 541 452 A 33 LEU HBx A 33 LEU HD2% 1.0 1.8 3.5 542 453 A 33 LEU HBy A 33 LEU HD1% 1.0 1.8 3.5 543 454 A 33 LEU HD2% A 33 LEU HBy 1.0 1.8 5.0 544 455 A 33 LEU HBx A 33 LEU H 1.0 1.8 5.0 545 456 A 33 LEU H A 33 LEU HBy 1.0 1.8 5.0 546 457 A 33 LEU H A 33 LEU HD1% 1.0 1.8 5.0 547 458 A 33 LEU HD2% A 33 LEU H 1.0 1.8 5.0 548 459 A 33 LEU HG A 33 LEU H 1.0 1.8 3.5 549 460 A 30 ILE HA A 34 GLY H 1.0 1.8 5.0 550 461 A 32 ASP HA A 34 GLY H 1.0 1.8 6.0 551 462 A 32 ASP H A 34 GLY HAy 1.0 1.8 6.0 552 462 A 32 ASP H A 34 GLY HAx 1.0 1.8 6.0 553 463 A 32 ASP H A 34 GLY H 1.0 1.8 5.0 554 464 A 33 LEU HA A 34 GLY HAy 1.0 1.8 6.0 555 464 A 33 LEU HA A 34 GLY HAx 1.0 1.8 6.0 556 465 A 33 LEU HBx A 34 GLY H 1.0 1.8 5.0 557 466 A 33 LEU HBy A 34 GLY H 1.0 1.8 5.0 558 467 A 33 LEU HD1% A 34 GLY H 1.0 1.8 5.0 559 468 A 33 LEU HD2% A 34 GLY H 1.0 1.8 5.0 560 469 A 33 LEU HG A 34 GLY H 1.0 1.8 5.0 561 470 A 33 LEU H A 34 GLY H 1.0 1.8 5.0 562 471 A 16 CYS HBx A 35 ILE HD1% 1.0 1.8 5.0 563 472 A 35 ILE HD1% A 16 CYS HBy 1.0 1.8 5.0 564 473 A 35 ILE HD1% A 16 CYS HBy 1.0 1.8 5.0 565 473 A 16 CYS HBx A 35 ILE HD1% 1.0 1.8 5.0 566 474 A 29 ALA HA A 35 ILE HD1% 1.0 1.8 5.0 567 475 A 29 ALA HB% A 35 ILE HD1% 1.0 1.8 3.5 568 476 A 29 ALA HB% A 35 ILE HG2% 1.0 1.8 5.0 569 477 A 30 ILE HA A 35 ILE HB 1.0 1.8 5.0 570 478 A 30 ILE HA A 35 ILE H 1.0 1.8 5.0 571 479 A 30 ILE H A 35 ILE H 1.0 1.8 6.0 572 480 A 33 LEU HBx A 35 ILE HD1% 1.0 1.8 3.5 573 481 A 33 LEU HBy A 35 ILE HD1% 1.0 1.8 5.0 574 482 A 33 LEU HBy A 35 ILE HG1x 1.0 1.8 5.0 575 483 A 33 LEU HBy A 35 ILE HG1y 1.0 1.8 5.0 576 484 A 33 LEU HBy A 35 ILE HG1x 1.0 1.8 5.0 577 484 A 33 LEU HBy A 35 ILE HG1y 1.0 1.8 5.0 578 485 A 33 LEU HBy A 35 ILE H 1.0 1.8 5.0 579 486 A 33 LEU HD1% A 35 ILE HD1% 1.0 1.8 3.5 580 487 A 34 GLY H A 35 ILE HD1% 1.0 1.8 5.0 581 488 A 34 GLY H A 35 ILE H 1.0 1.8 3.5 582 489 A 35 ILE HD1% A 35 ILE HA 1.0 1.8 5.0 583 490 A 35 ILE HA A 35 ILE HG1x 1.0 1.8 5.0 584 490 A 35 ILE HG1y A 35 ILE HA 1.0 1.8 5.0 585 491 A 35 ILE HG2% A 35 ILE HA 1.0 1.8 3.5 586 492 A 35 ILE HD1% A 35 ILE HB 1.0 1.8 3.5 587 493 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 5.0 588 494 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 5.0 589 495 A 35 ILE HG2% A 35 ILE HG1x 1.0 1.8 3.5 590 495 A 35 ILE HG2% A 35 ILE HG1y 1.0 1.8 3.5 591 496 A 35 ILE HB A 35 ILE H 1.0 1.8 5.0 592 497 A 35 ILE HD1% A 35 ILE H 1.0 1.8 5.0 593 498 A 35 ILE H A 35 ILE HG1x 1.0 1.8 5.0 594 499 A 35 ILE H A 35 ILE HG1y 1.0 1.8 5.0 595 500 A 35 ILE H A 35 ILE HG1x 1.0 1.8 3.5 596 500 A 35 ILE H A 35 ILE HG1y 1.0 1.8 3.5 597 501 A 35 ILE HG2% A 35 ILE H 1.0 1.8 5.0 598 502 A 35 ILE HA A 36 ASP H 1.0 1.8 3.5 599 503 A 35 ILE HB A 36 ASP H 1.0 1.8 5.0 600 504 A 36 ASP H A 35 ILE HG1x 1.0 1.8 6.0 601 505 A 35 ILE HG1y A 36 ASP H 1.0 1.8 6.0 602 506 A 36 ASP H A 35 ILE HG1x 1.0 1.8 5.0 603 506 A 35 ILE HG1y A 36 ASP H 1.0 1.8 5.0 604 507 A 35 ILE HG2% A 36 ASP H 1.0 1.8 5.0 605 508 A 35 ILE H A 36 ASP H 1.0 1.8 6.0 606 509 A 36 ASP H A 36 ASP HBx 1.0 1.8 5.0 607 510 A 36 ASP H A 36 ASP HBy 1.0 1.8 5.0 608 511 A 36 ASP H A 36 ASP HBx 1.0 1.8 3.5 609 511 A 36 ASP H A 36 ASP HBy 1.0 1.8 3.5 610 512 A 37 SER H A 36 ASP HBx 1.0 1.8 5.0 611 513 A 37 SER H A 36 ASP HBy 1.0 1.8 5.0 612 514 A 36 ASP HBy A 37 SER HBx 1.0 1.8 6.0 613 514 A 36 ASP HBx A 37 SER HBx 1.0 1.8 6.0 614 514 A 37 SER HBy A 36 ASP HBx 1.0 1.8 6.0 615 514 A 37 SER HBy A 36 ASP HBy 1.0 1.8 6.0 616 515 A 37 SER H A 37 SER HBx 1.0 1.8 5.0 617 515 A 37 SER HBy A 37 SER H 1.0 1.8 5.0 618 516 A 38 LEU H A 36 ASP HBx 1.0 1.8 6.0 619 517 A 36 ASP HBy A 38 LEU H 1.0 1.8 6.0 620 518 A 38 LEU H A 36 ASP HBx 1.0 1.8 5.0 621 518 A 36 ASP HBy A 38 LEU H 1.0 1.8 5.0 622 519 A 37 SER HBx A 38 LEU HD2% 1.0 1.8 5.0 623 519 A 37 SER HBy A 38 LEU HD2% 1.0 1.8 5.0 624 519 A 38 LEU HD1% A 37 SER HBx 1.0 1.8 5.0 625 519 A 37 SER HBy A 38 LEU HD1% 1.0 1.8 5.0 626 520 A 38 LEU H A 37 SER HBx 1.0 1.8 5.0 627 520 A 37 SER HBy A 38 LEU H 1.0 1.8 5.0 628 521 A 37 SER H A 38 LEU HD1% 1.0 1.8 6.0 629 522 A 37 SER H A 38 LEU HD2% 1.0 1.8 6.0 630 523 A 37 SER H A 38 LEU H 1.0 1.8 5.0 631 524 A 38 LEU HD1% A 38 LEU HA 1.0 1.8 5.0 632 525 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 5.0 633 526 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 3.5 634 526 A 38 LEU HD1% A 38 LEU HA 1.0 1.8 3.5 635 527 A 38 LEU HG A 38 LEU HA 1.0 1.8 5.0 636 528 A 38 LEU HD1% A 38 LEU HBx 1.0 1.8 5.0 637 529 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 5.0 638 530 A 38 LEU HD1% A 38 LEU HBy 1.0 1.8 5.0 639 531 A 38 LEU HBy A 38 LEU HD2% 1.0 1.8 5.0 640 532 A 38 LEU HBx A 38 LEU HD2% 1.0 1.8 2.7 641 532 A 38 LEU HBy A 38 LEU HD2% 1.0 1.8 2.7 642 532 A 38 LEU HD1% A 38 LEU HBy 1.0 1.8 2.7 643 532 A 38 LEU HD1% A 38 LEU HBx 1.0 1.8 2.7 644 533 A 38 LEU H A 38 LEU HBx 1.0 1.8 5.0 645 534 A 38 LEU H A 38 LEU HBy 1.0 1.8 5.0 646 535 A 38 LEU H A 38 LEU HBy 1.0 1.8 3.5 647 535 A 38 LEU H A 38 LEU HBx 1.0 1.8 3.5 648 536 A 38 LEU HD1% A 38 LEU H 1.0 1.8 5.0 649 537 A 38 LEU H A 38 LEU HD2% 1.0 1.8 5.0 650 538 A 38 LEU H A 38 LEU HD2% 1.0 1.8 5.0 651 538 A 38 LEU HD1% A 38 LEU H 1.0 1.8 5.0 652 539 A 38 LEU HG A 38 LEU H 1.0 1.8 5.0 653 540 A 35 ILE HA A 39 ASP HBx 1.0 1.8 6.0 654 541 A 35 ILE HA A 39 ASP HBy 1.0 1.8 5.0 655 542 A 35 ILE HB A 39 ASP HBx 1.0 1.8 6.0 656 543 A 35 ILE HB A 39 ASP HBy 1.0 1.8 5.0 657 544 A 35 ILE HG2% A 39 ASP HBx 1.0 1.8 5.0 658 545 A 35 ILE HG2% A 39 ASP HBy 1.0 1.8 5.0 659 546 A 36 ASP H A 39 ASP HBx 1.0 1.8 5.0 660 547 A 36 ASP H A 39 ASP HBy 1.0 1.8 5.0 661 548 A 38 LEU HBx A 39 ASP H 1.0 1.8 5.0 662 549 A 39 ASP H A 38 LEU HBy 1.0 1.8 5.0 663 550 A 39 ASP H A 38 LEU HBy 1.0 1.8 5.0 664 550 A 38 LEU HBx A 39 ASP H 1.0 1.8 5.0 665 551 A 38 LEU HG A 39 ASP H 1.0 1.8 6.0 666 552 A 38 LEU H A 39 ASP HBy 1.0 1.8 6.0 667 553 A 38 LEU H A 39 ASP H 1.0 1.8 3.5 668 554 A 39 ASP HBy A 39 ASP H 1.0 1.8 5.0 669 555 A 3 SER HA A 4 THR H 1.0 1.8 3.5 670 556 A 4 THR H A 3 SER HBx 1.0 1.8 5.0 671 557 A 4 THR H A 3 SER HBy 1.0 1.8 5.0 672 558 A 4 THR H A 3 SER HBy 1.0 1.8 5.0 673 558 A 4 THR H A 3 SER HBx 1.0 1.8 5.0 674 559 A 4 THR H A 3 SER H 1.0 1.8 5.0 675 560 A 4 THR HA A 4 THR HG2% 1.0 1.8 3.5 676 561 A 4 THR H A 4 THR HG2% 1.0 1.8 5.0 677 562 A 29 ALA HB% A 40 PHE HD% 1.0 1.8 5.0 678 563 A 29 ALA HB% A 40 PHE HE% 1.0 1.8 5.0 679 564 A 29 ALA HB% A 40 PHE HZ 1.0 1.8 5.0 680 565 A 29 ALA H A 40 PHE HE% 1.0 1.8 6.0 681 566 A 35 ILE HB A 40 PHE HD% 1.0 1.8 5.0 682 567 A 35 ILE HD1% A 40 PHE HD% 1.0 1.8 5.0 683 568 A 35 ILE HD1% A 40 PHE HE% 1.0 1.8 6.0 684 569 A 35 ILE HG2% A 40 PHE HBx 1.0 1.8 5.0 685 569 A 35 ILE HG2% A 40 PHE HBy 1.0 1.8 5.0 686 570 A 35 ILE HG2% A 40 PHE HD% 1.0 1.8 3.5 687 571 A 35 ILE HG2% A 40 PHE H 1.0 1.8 5.0 688 572 A 37 SER HA A 40 PHE HBx 1.0 1.8 5.0 689 572 A 40 PHE HBy A 37 SER HA 1.0 1.8 5.0 690 573 A 37 SER HBy A 40 PHE HBx 1.0 1.8 6.0 691 573 A 37 SER HBx A 40 PHE HBx 1.0 1.8 6.0 692 573 A 40 PHE HBy A 37 SER HBx 1.0 1.8 6.0 693 573 A 37 SER HBy A 40 PHE HBy 1.0 1.8 6.0 694 574 A 38 LEU H A 40 PHE HBx 1.0 1.8 6.0 695 574 A 38 LEU H A 40 PHE HBy 1.0 1.8 6.0 696 575 A 39 ASP HBx A 40 PHE H 1.0 1.8 5.0 697 576 A 39 ASP HBy A 40 PHE H 1.0 1.8 5.0 698 577 A 39 ASP H A 40 PHE H 1.0 1.8 5.0 699 578 A 40 PHE HD% A 40 PHE HA 1.0 1.8 3.5 700 579 A 40 PHE H A 40 PHE HBx 1.0 1.8 5.0 701 579 A 40 PHE HBy A 40 PHE H 1.0 1.8 5.0 702 580 A 38 LEU HA A 41 LEU HD1% 1.0 1.8 5.0 703 581 A 38 LEU HA A 41 LEU HG 1.0 1.8 5.0 704 582 A 38 LEU HA A 41 LEU H 1.0 1.8 5.0 705 583 A 41 LEU HD2% A 40 PHE HBx 1.0 1.8 5.0 706 583 A 40 PHE HBy A 41 LEU HD2% 1.0 1.8 5.0 707 584 A 41 LEU H A 40 PHE HBx 1.0 1.8 5.0 708 584 A 40 PHE HBy A 41 LEU H 1.0 1.8 5.0 709 585 A 40 PHE H A 41 LEU HD2% 1.0 1.8 5.0 710 586 A 40 PHE H A 41 LEU H 1.0 1.8 5.0 711 587 A 41 LEU HD1% A 41 LEU HA 1.0 1.8 5.0 712 588 A 41 LEU HD2% A 41 LEU HA 1.0 1.8 3.5 713 589 A 41 LEU HD1% A 41 LEU HBx 1.0 1.8 5.0 714 590 A 41 LEU HD2% A 41 LEU HBx 1.0 1.8 5.0 715 591 A 41 LEU HD1% A 41 LEU HBy 1.0 1.8 3.5 716 592 A 41 LEU HD2% A 41 LEU HBy 1.0 1.8 5.0 717 593 A 41 LEU H A 41 LEU HBy 1.0 1.8 5.0 718 594 A 41 LEU HD1% A 41 LEU H 1.0 1.8 5.0 719 595 A 41 LEU H A 41 LEU HD2% 1.0 1.8 5.0 720 596 A 41 LEU HG A 41 LEU H 1.0 1.8 3.5 721 597 A 15 THR HG2% A 42 ASP HBy 1.0 1.8 5.0 722 598 A 15 THR HG2% A 42 ASP HBx 1.0 1.8 5.0 723 599 A 15 THR HG2% A 42 ASP HBy 1.0 1.8 3.5 724 599 A 15 THR HG2% A 42 ASP HBx 1.0 1.8 3.5 725 600 A 41 LEU HBx A 42 ASP HA 1.0 1.8 6.0 726 601 A 41 LEU HBx A 42 ASP H 1.0 1.8 5.0 727 602 A 41 LEU HBy A 42 ASP H 1.0 1.8 5.0 728 603 A 41 LEU HD1% A 42 ASP H 1.0 1.8 6.0 729 604 A 41 LEU HD2% A 42 ASP H 1.0 1.8 5.0 730 605 A 41 LEU H A 42 ASP H 1.0 1.8 5.0 731 606 A 42 ASP H A 42 ASP HBy 1.0 1.8 5.0 732 607 A 42 ASP HBx A 42 ASP H 1.0 1.8 5.0 733 608 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.5 734 608 A 42 ASP HBx A 42 ASP H 1.0 1.8 3.5 735 609 A 11 ILE HG2% A 43 ILE HA 1.0 1.8 5.0 736 610 A 12 ILE HA A 43 ILE HD1% 1.0 1.8 5.0 737 611 A 12 ILE HA A 43 ILE HG1x 1.0 1.8 5.0 738 611 A 12 ILE HA A 43 ILE HG1y 1.0 1.8 5.0 739 612 A 12 ILE HA A 43 ILE HG2% 1.0 1.8 5.0 740 613 A 12 ILE HG1x A 43 ILE HG1x 1.0 1.8 5.0 741 613 A 12 ILE HG1y A 43 ILE HG1x 1.0 1.8 5.0 742 613 A 43 ILE HG1y A 12 ILE HG1x 1.0 1.8 5.0 743 613 A 12 ILE HG1y A 43 ILE HG1y 1.0 1.8 5.0 744 614 A 43 ILE HG2% A 12 ILE HG1x 1.0 1.8 5.0 745 614 A 12 ILE HG1y A 43 ILE HG2% 1.0 1.8 5.0 746 615 A 15 THR HB A 43 ILE HD1% 1.0 1.8 5.0 747 616 A 15 THR HB A 43 ILE HG1x 1.0 1.8 5.0 748 616 A 15 THR HB A 43 ILE HG1y 1.0 1.8 5.0 749 617 A 15 THR HB A 43 ILE HG2% 1.0 1.8 6.0 750 618 A 15 THR HG2% A 43 ILE HA 1.0 1.8 5.0 751 619 A 15 THR HG2% A 43 ILE HD1% 1.0 1.8 5.0 752 620 A 15 THR HG2% A 43 ILE HG1x 1.0 1.8 5.0 753 620 A 15 THR HG2% A 43 ILE HG1y 1.0 1.8 5.0 754 621 A 15 THR HG2% A 43 ILE HG2% 1.0 1.8 5.0 755 622 A 15 THR HG2% A 43 ILE H 1.0 1.8 5.0 756 623 A 39 ASP HBx A 43 ILE HD1% 1.0 1.8 5.0 757 624 A 39 ASP HBx A 43 ILE HG1x 1.0 1.8 6.0 758 624 A 39 ASP HBx A 43 ILE HG1y 1.0 1.8 6.0 759 625 A 40 PHE HA A 43 ILE HB 1.0 1.8 5.0 760 626 A 40 PHE HA A 43 ILE HD1% 1.0 1.8 5.0 761 627 A 40 PHE HA A 43 ILE HG1x 1.0 1.8 5.0 762 627 A 40 PHE HA A 43 ILE HG1y 1.0 1.8 5.0 763 628 A 40 PHE HA A 43 ILE HG2% 1.0 1.8 5.0 764 629 A 40 PHE HA A 43 ILE H 1.0 1.8 5.0 765 630 A 40 PHE HD% A 43 ILE HB 1.0 1.8 5.0 766 631 A 40 PHE HD% A 43 ILE HD1% 1.0 1.8 3.5 767 632 A 40 PHE HE% A 43 ILE HG2% 1.0 1.8 5.0 768 633 A 40 PHE HZ A 43 ILE HG2% 1.0 1.8 6.0 769 634 A 41 LEU H A 43 ILE HD1% 1.0 1.8 6.0 770 635 A 43 ILE H A 42 ASP HBy 1.0 1.8 5.0 771 636 A 42 ASP HBx A 43 ILE H 1.0 1.8 5.0 772 637 A 42 ASP H A 43 ILE H 1.0 1.8 5.0 773 638 A 43 ILE HA A 43 ILE HD1% 1.0 1.8 5.0 774 639 A 43 ILE HA A 43 ILE HG1x 1.0 1.8 3.5 775 639 A 43 ILE HA A 43 ILE HG1y 1.0 1.8 3.5 776 640 A 43 ILE HA A 43 ILE HG2% 1.0 1.8 5.0 777 641 A 43 ILE HD1% A 43 ILE HB 1.0 1.8 3.5 778 642 A 43 ILE H A 43 ILE HB 1.0 1.8 5.0 779 643 A 43 ILE HD1% A 43 ILE H 1.0 1.8 5.0 780 644 A 43 ILE H A 43 ILE HG1x 1.0 1.8 5.0 781 645 A 43 ILE HG1y A 43 ILE H 1.0 1.8 5.0 782 646 A 43 ILE HG2% A 43 ILE H 1.0 1.8 5.0 783 647 A 40 PHE HD% A 44 ALA HB% 1.0 1.8 5.0 784 648 A 40 PHE HE% A 44 ALA HB% 1.0 1.8 5.0 785 649 A 41 LEU HA A 44 ALA HB% 1.0 1.8 3.5 786 650 A 41 LEU HA A 44 ALA H 1.0 1.8 5.0 787 651 A 43 ILE HB A 44 ALA H 1.0 1.8 5.0 788 652 A 43 ILE HD1% A 44 ALA H 1.0 1.8 5.0 789 653 A 43 ILE HG2% A 44 ALA HA 1.0 1.8 5.0 790 654 A 43 ILE HG2% A 44 ALA H 1.0 1.8 5.0 791 655 A 43 ILE H A 44 ALA H 1.0 1.8 5.0 792 656 A 44 ALA HB% A 44 ALA H 1.0 1.8 3.5 793 657 A 41 LEU HA A 45 PHE H 1.0 1.8 6.0 794 658 A 41 LEU HBx A 45 PHE HE% 1.0 1.8 5.0 795 659 A 41 LEU HD1% A 45 PHE HD% 1.0 1.8 6.0 796 660 A 41 LEU HD1% A 45 PHE HE% 1.0 1.8 6.0 797 661 A 41 LEU HD2% A 45 PHE HE% 1.0 1.8 6.0 798 662 A 41 LEU HD2% A 45 PHE H 1.0 1.8 6.0 799 663 A 42 ASP HA A 45 PHE HBy 1.0 1.8 5.0 800 664 A 42 ASP HA A 45 PHE HD% 1.0 1.8 5.0 801 665 A 42 ASP HA A 45 PHE H 1.0 1.8 5.0 802 666 A 45 PHE HBy A 42 ASP HBy 1.0 1.8 6.0 803 666 A 42 ASP HBx A 45 PHE HBy 1.0 1.8 6.0 804 667 A 44 ALA HB% A 45 PHE HA 1.0 1.8 5.0 805 668 A 44 ALA HB% A 45 PHE HBy 1.0 1.8 5.0 806 669 A 44 ALA HB% A 45 PHE HD% 1.0 1.8 5.0 807 670 A 44 ALA HB% A 45 PHE H 1.0 1.8 5.0 808 671 A 44 ALA H A 45 PHE H 1.0 1.8 5.0 809 672 A 45 PHE HD% A 45 PHE HA 1.0 1.8 5.0 810 673 A 45 PHE H A 45 PHE HBy 1.0 1.8 3.5 811 674 A 45 PHE H A 45 PHE HD% 1.0 1.8 5.0 812 675 A 11 ILE HA A 46 ALA HB% 1.0 1.8 5.0 813 676 A 11 ILE HB A 46 ALA HB% 1.0 1.8 5.0 814 677 A 11 ILE HD1% A 46 ALA HB% 1.0 1.8 5.0 815 678 A 11 ILE HG2% A 46 ALA HB% 1.0 1.8 3.5 816 679 A 15 THR HG2% A 46 ALA HB% 1.0 1.8 5.0 817 680 A 43 ILE HA A 46 ALA HB% 1.0 1.8 5.0 818 681 A 43 ILE HA A 46 ALA H 1.0 1.8 5.0 819 682 A 46 ALA HB% A 45 PHE HBx 1.0 1.8 6.0 820 683 A 46 ALA H A 45 PHE HBx 1.0 1.8 5.0 821 684 A 45 PHE HBy A 46 ALA H 1.0 1.8 5.0 822 685 A 45 PHE HD% A 46 ALA HA 1.0 1.8 6.0 823 686 A 45 PHE H A 46 ALA H 1.0 1.8 3.5 824 687 A 46 ALA HB% A 46 ALA H 1.0 1.8 3.5 825 688 A 11 ILE HB A 47 ILE HG1x 1.0 1.8 5.0 826 688 A 11 ILE HB A 47 ILE HG1y 1.0 1.8 5.0 827 689 A 11 ILE HD1% A 47 ILE HA 1.0 1.8 3.5 828 690 A 11 ILE HD1% A 47 ILE HG1x 1.0 1.8 5.0 829 690 A 11 ILE HD1% A 47 ILE HG1y 1.0 1.8 5.0 830 691 A 11 ILE HG2% A 47 ILE HG1x 1.0 1.8 5.0 831 691 A 11 ILE HG2% A 47 ILE HG1y 1.0 1.8 5.0 832 692 A 11 ILE HG2% A 47 ILE H 1.0 1.8 5.0 833 693 A 40 PHE HD% A 47 ILE HD1% 1.0 1.8 6.0 834 694 A 40 PHE HE% A 47 ILE HD1% 1.0 1.8 6.0 835 695 A 40 PHE HZ A 47 ILE HD1% 1.0 1.8 5.0 836 696 A 43 ILE HA A 47 ILE HD1% 1.0 1.8 6.0 837 697 A 43 ILE HG2% A 47 ILE HD1% 1.0 1.8 3.5 838 698 A 43 ILE HG2% A 47 ILE HG1x 1.0 1.8 5.0 839 698 A 43 ILE HG2% A 47 ILE HG1y 1.0 1.8 5.0 840 699 A 44 ALA HA A 47 ILE HB 1.0 1.8 3.5 841 700 A 44 ALA HA A 47 ILE HD1% 1.0 1.8 3.5 842 701 A 44 ALA HA A 47 ILE HG2% 1.0 1.8 5.0 843 702 A 44 ALA HA A 47 ILE H 1.0 1.8 5.0 844 703 A 44 ALA HB% A 47 ILE HB 1.0 1.8 5.0 845 704 A 44 ALA HB% A 47 ILE HD1% 1.0 1.8 5.0 846 705 A 44 ALA H A 47 ILE HD1% 1.0 1.8 5.0 847 706 A 46 ALA HB% A 47 ILE HA 1.0 1.8 5.0 848 707 A 46 ALA HB% A 47 ILE HB 1.0 1.8 5.0 849 708 A 46 ALA HB% A 47 ILE HG1x 1.0 1.8 5.0 850 708 A 46 ALA HB% A 47 ILE HG1y 1.0 1.8 5.0 851 709 A 46 ALA HB% A 47 ILE H 1.0 1.8 5.0 852 710 A 46 ALA H A 47 ILE HB 1.0 1.8 6.0 853 711 A 46 ALA H A 47 ILE H 1.0 1.8 3.5 854 712 A 47 ILE HA A 47 ILE HD1% 1.0 1.8 5.0 855 713 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 5.0 856 714 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 5.0 857 715 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 3.5 858 715 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 3.5 859 716 A 47 ILE HA A 47 ILE HG2% 1.0 1.8 3.5 860 717 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 5.0 861 718 A 47 ILE HD1% A 47 ILE HG2% 1.0 1.8 3.5 862 719 A 47 ILE HG2% A 47 ILE HG1x 1.0 1.8 3.5 863 719 A 47 ILE HG1y A 47 ILE HG2% 1.0 1.8 3.5 864 720 A 47 ILE H A 47 ILE HB 1.0 1.8 3.5 865 721 A 47 ILE H A 47 ILE HD1% 1.0 1.8 5.0 866 722 A 47 ILE H A 47 ILE HG1x 1.0 1.8 5.0 867 723 A 47 ILE HG1y A 47 ILE H 1.0 1.8 5.0 868 724 A 47 ILE H A 47 ILE HG1x 1.0 1.8 3.5 869 724 A 47 ILE HG1y A 47 ILE H 1.0 1.8 3.5 870 725 A 47 ILE H A 47 ILE HG2% 1.0 1.8 5.0 871 726 A 8 VAL HA A 47 ILE HD1% 1.0 1.8 5.0 872 727 A 44 ALA HA A 48 ASP H 1.0 1.8 5.0 873 728 A 44 ALA HB% A 48 ASP HBx 1.0 1.8 5.0 874 728 A 44 ALA HB% A 48 ASP HBy 1.0 1.8 5.0 875 729 A 44 ALA HB% A 48 ASP H 1.0 1.8 5.0 876 730 A 45 PHE HA A 48 ASP HBx 1.0 1.8 5.0 877 730 A 45 PHE HA A 48 ASP HBy 1.0 1.8 5.0 878 731 A 45 PHE HA A 48 ASP H 1.0 1.8 5.0 879 732 A 45 PHE HBx A 48 ASP HBx 1.0 1.8 6.0 880 732 A 45 PHE HBx A 48 ASP HBy 1.0 1.8 6.0 881 733 A 45 PHE HBy A 48 ASP HBx 1.0 1.8 6.0 882 733 A 45 PHE HBy A 48 ASP HBy 1.0 1.8 6.0 883 734 A 45 PHE HD% A 48 ASP HBx 1.0 1.8 5.0 884 734 A 45 PHE HD% A 48 ASP HBy 1.0 1.8 5.0 885 735 A 46 ALA HB% A 48 ASP H 1.0 1.8 5.0 886 736 A 46 ALA H A 48 ASP HBx 1.0 1.8 6.0 887 736 A 46 ALA H A 48 ASP HBy 1.0 1.8 6.0 888 737 A 46 ALA H A 48 ASP H 1.0 1.8 5.0 889 738 A 47 ILE HB A 48 ASP H 1.0 1.8 5.0 890 739 A 47 ILE HD1% A 48 ASP H 1.0 1.8 5.0 891 740 A 47 ILE HG2% A 48 ASP HA 1.0 1.8 5.0 892 741 A 47 ILE HG2% A 48 ASP HBx 1.0 1.8 6.0 893 741 A 47 ILE HG2% A 48 ASP HBy 1.0 1.8 6.0 894 742 A 47 ILE HG2% A 48 ASP H 1.0 1.8 5.0 895 743 A 48 ASP H A 48 ASP HBx 1.0 1.8 3.5 896 743 A 48 ASP H A 48 ASP HBy 1.0 1.8 3.5 897 744 A 45 PHE HA A 49 LYS H 1.0 1.8 5.0 898 745 A 45 PHE HBx A 49 LYS HDx 1.0 1.8 6.0 899 745 A 45 PHE HBx A 49 LYS HDy 1.0 1.8 6.0 900 746 A 45 PHE HD% A 49 LYS HDx 1.0 1.8 5.0 901 746 A 45 PHE HD% A 49 LYS HDy 1.0 1.8 5.0 902 747 A 45 PHE HD% A 49 LYS HEy 1.0 1.8 6.0 903 747 A 45 PHE HD% A 49 LYS HEx 1.0 1.8 6.0 904 748 A 45 PHE HD% A 49 LYS HGx 1.0 1.8 5.0 905 748 A 45 PHE HD% A 49 LYS HGy 1.0 1.8 5.0 906 749 A 45 PHE HE% A 49 LYS HDx 1.0 1.8 6.0 907 749 A 45 PHE HE% A 49 LYS HDy 1.0 1.8 6.0 908 750 A 46 ALA HA A 49 LYS HBx 1.0 1.8 5.0 909 750 A 46 ALA HA A 49 LYS HBy 1.0 1.8 5.0 910 751 A 46 ALA HA A 49 LYS HDx 1.0 1.8 5.0 911 751 A 46 ALA HA A 49 LYS HDy 1.0 1.8 5.0 912 752 A 46 ALA HA A 49 LYS H 1.0 1.8 5.0 913 753 A 47 ILE HA A 49 LYS H 1.0 1.8 5.0 914 754 A 47 ILE HG2% A 49 LYS H 1.0 1.8 6.0 915 755 A 48 ASP HBy A 49 LYS HBx 1.0 1.8 6.0 916 755 A 49 LYS HBy A 48 ASP HBx 1.0 1.8 6.0 917 755 A 48 ASP HBy A 49 LYS HBy 1.0 1.8 6.0 918 755 A 48 ASP HBx A 49 LYS HBx 1.0 1.8 6.0 919 756 A 49 LYS H A 48 ASP HBx 1.0 1.8 3.5 920 756 A 48 ASP HBy A 49 LYS H 1.0 1.8 3.5 921 757 A 48 ASP H A 49 LYS H 1.0 1.8 3.5 922 758 A 49 LYS HA A 49 LYS HDx 1.0 1.8 5.0 923 758 A 49 LYS HDy A 49 LYS HA 1.0 1.8 5.0 924 759 A 49 LYS HA A 49 LYS HGx 1.0 1.8 5.0 925 760 A 49 LYS HGy A 49 LYS HA 1.0 1.8 5.0 926 761 A 49 LYS HA A 49 LYS HGx 1.0 1.8 5.0 927 761 A 49 LYS HGy A 49 LYS HA 1.0 1.8 5.0 928 762 A 49 LYS HBx A 49 LYS HDx 1.0 1.8 5.0 929 762 A 49 LYS HBy A 49 LYS HDx 1.0 1.8 5.0 930 762 A 49 LYS HDy A 49 LYS HBx 1.0 1.8 5.0 931 762 A 49 LYS HDy A 49 LYS HBy 1.0 1.8 5.0 932 763 A 49 LYS HBy A 49 LYS HEy 1.0 1.8 6.0 933 763 A 49 LYS HBx A 49 LYS HEy 1.0 1.8 6.0 934 763 A 49 LYS HEx A 49 LYS HBx 1.0 1.8 6.0 935 763 A 49 LYS HEx A 49 LYS HBy 1.0 1.8 6.0 936 764 A 49 LYS HEx A 49 LYS HGx 1.0 1.8 3.5 937 764 A 49 LYS HGy A 49 LYS HEy 1.0 1.8 3.5 938 764 A 49 LYS HEx A 49 LYS HGy 1.0 1.8 3.5 939 764 A 49 LYS HEy A 49 LYS HGx 1.0 1.8 3.5 940 765 A 49 LYS H A 49 LYS HBx 1.0 1.8 3.5 941 765 A 49 LYS H A 49 LYS HBy 1.0 1.8 3.5 942 766 A 49 LYS H A 49 LYS HDx 1.0 1.8 5.0 943 766 A 49 LYS H A 49 LYS HDy 1.0 1.8 5.0 944 767 A 49 LYS H A 49 LYS HGx 1.0 1.8 5.0 945 767 A 49 LYS H A 49 LYS HGy 1.0 1.8 5.0 946 768 A 5 PHE H A 3 SER HBy 1.0 1.8 5.0 947 768 A 3 SER HBx A 5 PHE H 1.0 1.8 5.0 948 769 A 5 PHE H A 4 THR HB 1.0 1.8 5.0 949 770 A 4 THR HG2% A 5 PHE HA 1.0 1.8 5.0 950 771 A 4 THR HG2% A 5 PHE H 1.0 1.8 5.0 951 772 A 4 THR H A 5 PHE H 1.0 1.8 5.0 952 773 A 5 PHE HD% A 5 PHE HA 1.0 1.8 5.0 953 774 A 5 PHE HE% A 5 PHE HA 1.0 1.8 6.0 954 775 A 5 PHE H A 5 PHE HBx 1.0 1.8 5.0 955 776 A 5 PHE H A 5 PHE HBy 1.0 1.8 5.0 956 777 A 5 PHE H A 5 PHE HBx 1.0 1.8 3.5 957 777 A 5 PHE H A 5 PHE HBy 1.0 1.8 3.5 958 778 A 5 PHE HD% A 5 PHE H 1.0 1.8 5.0 959 779 A 11 ILE HD1% A 50 ALA HB% 1.0 1.8 3.5 960 780 A 11 ILE HD1% A 50 ALA H 1.0 1.8 5.0 961 781 A 11 ILE HG1x A 50 ALA HB% 1.0 1.8 6.0 962 782 A 47 ILE HA A 50 ALA HB% 1.0 1.8 3.5 963 783 A 47 ILE HA A 50 ALA H 1.0 1.8 5.0 964 784 A 50 ALA HB% A 47 ILE HG1x 1.0 1.8 5.0 965 784 A 47 ILE HG1y A 50 ALA HB% 1.0 1.8 5.0 966 785 A 47 ILE HG2% A 50 ALA HB% 1.0 1.8 5.0 967 786 A 47 ILE HG2% A 50 ALA H 1.0 1.8 5.0 968 787 A 47 ILE H A 50 ALA HB% 1.0 1.8 6.0 969 788 A 48 ASP HA A 50 ALA H 1.0 1.8 5.0 970 789 A 50 ALA H A 48 ASP HBx 1.0 1.8 5.0 971 789 A 48 ASP HBy A 50 ALA H 1.0 1.8 5.0 972 790 A 48 ASP H A 50 ALA HB% 1.0 1.8 6.0 973 791 A 48 ASP H A 50 ALA H 1.0 1.8 5.0 974 792 A 50 ALA HA A 49 LYS HBx 1.0 1.8 5.0 975 792 A 49 LYS HBy A 50 ALA HA 1.0 1.8 5.0 976 793 A 50 ALA H A 49 LYS HBx 1.0 1.8 3.5 977 793 A 49 LYS HBy A 50 ALA H 1.0 1.8 3.5 978 794 A 50 ALA H A 49 LYS HGx 1.0 1.8 6.0 979 794 A 49 LYS HGy A 50 ALA H 1.0 1.8 6.0 980 795 A 49 LYS H A 50 ALA HA 1.0 1.8 6.0 981 796 A 49 LYS H A 50 ALA H 1.0 1.8 3.5 982 797 A 50 ALA HB% A 50 ALA H 1.0 1.8 3.5 983 798 A 11 ILE HD1% A 51 PHE HD% 1.0 1.8 5.0 984 799 A 11 ILE HD1% A 51 PHE HE% 1.0 1.8 5.0 985 800 A 11 ILE HD1% A 51 PHE H 1.0 1.8 6.0 986 801 A 47 ILE HA A 51 PHE HD% 1.0 1.8 3.5 987 802 A 47 ILE HA A 51 PHE HE% 1.0 1.8 5.0 988 803 A 47 ILE HA A 51 PHE H 1.0 1.8 5.0 989 804 A 47 ILE HB A 51 PHE HD% 1.0 1.8 5.0 990 805 A 51 PHE HE% A 47 ILE HG1x 1.0 1.8 6.0 991 805 A 47 ILE HG1y A 51 PHE HE% 1.0 1.8 6.0 992 806 A 47 ILE HG2% A 51 PHE HBx 1.0 1.8 5.0 993 806 A 47 ILE HG2% A 51 PHE HBy 1.0 1.8 5.0 994 807 A 47 ILE HG2% A 51 PHE HD% 1.0 1.8 3.5 995 808 A 47 ILE HG2% A 51 PHE HE% 1.0 1.8 5.0 996 809 A 47 ILE HG2% A 51 PHE H 1.0 1.8 5.0 997 810 A 48 ASP HA A 51 PHE H 1.0 1.8 6.0 998 811 A 48 ASP H A 51 PHE HD% 1.0 1.8 6.0 999 812 A 51 PHE H A 49 LYS HBx 1.0 1.8 6.0 1000 812 A 49 LYS HBy A 51 PHE H 1.0 1.8 6.0 1001 813 A 49 LYS H A 51 PHE H 1.0 1.8 5.0 1002 814 A 4 THR HB A 51 PHE HE% 1.0 1.8 5.0 1003 815 A 4 THR HB A 51 PHE HZ 1.0 1.8 5.0 1004 816 A 4 THR HG2% A 51 PHE HD% 1.0 1.8 5.0 1005 817 A 4 THR HG2% A 51 PHE HE% 1.0 1.8 5.0 1006 818 A 4 THR HG2% A 51 PHE HZ 1.0 1.8 5.0 1007 819 A 50 ALA HA A 51 PHE HD% 1.0 1.8 5.0 1008 820 A 50 ALA HB% A 51 PHE HA 1.0 1.8 5.0 1009 821 A 50 ALA HB% A 51 PHE HBx 1.0 1.8 6.0 1010 822 A 50 ALA HB% A 51 PHE HBy 1.0 1.8 6.0 1011 823 A 50 ALA HB% A 51 PHE HBx 1.0 1.8 5.0 1012 823 A 50 ALA HB% A 51 PHE HBy 1.0 1.8 5.0 1013 824 A 50 ALA HB% A 51 PHE HD% 1.0 1.8 3.5 1014 825 A 50 ALA HB% A 51 PHE HE% 1.0 1.8 5.0 1015 826 A 50 ALA HB% A 51 PHE H 1.0 1.8 5.0 1016 827 A 50 ALA H A 51 PHE HD% 1.0 1.8 5.0 1017 828 A 50 ALA H A 51 PHE H 1.0 1.8 3.5 1018 829 A 51 PHE HD% A 51 PHE HA 1.0 1.8 5.0 1019 830 A 51 PHE H A 51 PHE HBx 1.0 1.8 5.0 1020 831 A 51 PHE H A 51 PHE HBy 1.0 1.8 5.0 1021 832 A 51 PHE H A 51 PHE HBx 1.0 1.8 5.0 1022 832 A 51 PHE H A 51 PHE HBy 1.0 1.8 5.0 1023 833 A 51 PHE HD% A 51 PHE H 1.0 1.8 5.0 1024 834 A 51 PHE HE% A 51 PHE H 1.0 1.8 6.0 1025 835 A 7 ARG HA A 51 PHE HE% 1.0 1.8 6.0 1026 836 A 51 PHE HZ A 7 ARG HBx 1.0 1.8 5.0 1027 837 A 51 PHE HE% A 7 ARG HBy 1.0 1.8 5.0 1028 838 A 51 PHE HZ A 7 ARG HBy 1.0 1.8 5.0 1029 839 A 51 PHE HD% A 7 ARG HGx 1.0 1.8 6.0 1030 840 A 51 PHE HE% A 7 ARG HGx 1.0 1.8 6.0 1031 841 A 51 PHE HZ A 7 ARG HGx 1.0 1.8 5.0 1032 842 A 51 PHE HE% A 8 VAL HB 1.0 1.8 6.0 1033 843 A 8 VAL HG1% A 51 PHE HE% 1.0 1.8 5.0 1034 844 A 51 PHE HE% A 8 VAL HG2% 1.0 1.8 5.0 1035 845 A 51 PHE HZ A 8 VAL HG2% 1.0 1.8 5.0 1036 846 A 51 PHE HZ A 8 VAL H 1.0 1.8 5.0 1037 847 A 48 ASP HA A 52 GLY H 1.0 1.8 5.0 1038 848 A 49 LYS HA A 52 GLY H 1.0 1.8 6.0 1039 849 A 52 GLY H A 49 LYS HBx 1.0 1.8 6.0 1040 849 A 49 LYS HBy A 52 GLY H 1.0 1.8 6.0 1041 850 A 50 ALA HB% A 52 GLY H 1.0 1.8 5.0 1042 851 A 52 GLY H A 51 PHE HBx 1.0 1.8 5.0 1043 852 A 51 PHE HBy A 52 GLY H 1.0 1.8 5.0 1044 853 A 52 GLY H A 51 PHE HBx 1.0 1.8 5.0 1045 853 A 51 PHE HBy A 52 GLY H 1.0 1.8 5.0 1046 854 A 51 PHE HD% A 52 GLY H 1.0 1.8 6.0 1047 855 A 51 PHE H A 52 GLY HAx 1.0 1.8 6.0 1048 856 A 51 PHE H A 52 GLY HAy 1.0 1.8 6.0 1049 857 A 51 PHE H A 52 GLY H 1.0 1.8 3.5 1050 858 A 48 ASP HA A 53 ILE HD1% 1.0 1.8 5.0 1051 859 A 48 ASP HA A 53 ILE HG1x 1.0 1.8 5.0 1052 860 A 48 ASP HA A 53 ILE H 1.0 1.8 5.0 1053 861 A 53 ILE HD1% A 48 ASP HBx 1.0 1.8 5.0 1054 861 A 48 ASP HBy A 53 ILE HD1% 1.0 1.8 5.0 1055 862 A 53 ILE H A 48 ASP HBx 1.0 1.8 6.0 1056 862 A 48 ASP HBy A 53 ILE H 1.0 1.8 6.0 1057 863 A 53 ILE HD1% A 51 PHE HBx 1.0 1.8 5.0 1058 864 A 53 ILE HG1x A 51 PHE HBx 1.0 1.8 5.0 1059 865 A 53 ILE HG1y A 51 PHE HBx 1.0 1.8 5.0 1060 866 A 53 ILE HG2% A 51 PHE HBx 1.0 1.8 5.0 1061 867 A 53 ILE H A 51 PHE HBx 1.0 1.8 6.0 1062 868 A 51 PHE HBy A 53 ILE HD1% 1.0 1.8 5.0 1063 869 A 51 PHE HBy A 53 ILE HG1x 1.0 1.8 5.0 1064 870 A 51 PHE HBy A 53 ILE HG1y 1.0 1.8 5.0 1065 871 A 51 PHE HBy A 53 ILE HG2% 1.0 1.8 5.0 1066 872 A 51 PHE HBy A 53 ILE H 1.0 1.8 6.0 1067 873 A 53 ILE HD1% A 51 PHE HBx 1.0 1.8 5.0 1068 873 A 51 PHE HBy A 53 ILE HD1% 1.0 1.8 5.0 1069 874 A 53 ILE HG1x A 51 PHE HBx 1.0 1.8 5.0 1070 874 A 51 PHE HBy A 53 ILE HG1x 1.0 1.8 5.0 1071 875 A 53 ILE HG2% A 51 PHE HBx 1.0 1.8 5.0 1072 875 A 51 PHE HBy A 53 ILE HG2% 1.0 1.8 5.0 1073 876 A 53 ILE H A 51 PHE HBx 1.0 1.8 5.0 1074 876 A 51 PHE HBy A 53 ILE H 1.0 1.8 5.0 1075 877 A 51 PHE HD% A 53 ILE HD1% 1.0 1.8 5.0 1076 878 A 51 PHE HD% A 53 ILE HG1x 1.0 1.8 5.0 1077 879 A 51 PHE HD% A 53 ILE HG2% 1.0 1.8 5.0 1078 880 A 51 PHE H A 53 ILE HD1% 1.0 1.8 6.0 1079 881 A 51 PHE H A 53 ILE HG1y 1.0 1.8 5.0 1080 882 A 51 PHE H A 53 ILE HG2% 1.0 1.8 6.0 1081 883 A 52 GLY HAx A 53 ILE HG2% 1.0 1.8 5.0 1082 884 A 52 GLY HAy A 53 ILE HG2% 1.0 1.8 6.0 1083 885 A 52 GLY H A 53 ILE HG1x 1.0 1.8 5.0 1084 886 A 52 GLY H A 53 ILE HG1y 1.0 1.8 6.0 1085 887 A 52 GLY H A 53 ILE HG2% 1.0 1.8 5.0 1086 888 A 52 GLY H A 53 ILE H 1.0 1.8 3.5 1087 889 A 53 ILE HD1% A 53 ILE HA 1.0 1.8 5.0 1088 890 A 53 ILE HG2% A 53 ILE HA 1.0 1.8 3.5 1089 891 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 3.5 1090 892 A 53 ILE HG1x A 53 ILE HG2% 1.0 1.8 5.0 1091 893 A 53 ILE HG1y A 53 ILE HG2% 1.0 1.8 5.0 1092 894 A 53 ILE HG1x A 53 ILE H 1.0 1.8 5.0 1093 895 A 53 ILE H A 53 ILE HG1y 1.0 1.8 5.0 1094 896 A 53 ILE H A 53 ILE HG2% 1.0 1.8 5.0 1095 897 A 53 ILE HA A 54 LYS H 1.0 1.8 3.5 1096 898 A 53 ILE HB A 54 LYS H 1.0 1.8 3.5 1097 899 A 53 ILE HD1% A 54 LYS HA 1.0 1.8 5.0 1098 900 A 53 ILE HD1% A 54 LYS H 1.0 1.8 5.0 1099 901 A 53 ILE HG1x A 54 LYS H 1.0 1.8 5.0 1100 902 A 53 ILE HG2% A 54 LYS H 1.0 1.8 5.0 1101 903 A 54 LYS HA A 54 LYS HDx 1.0 1.8 5.0 1102 903 A 54 LYS HA A 54 LYS HDy 1.0 1.8 5.0 1103 904 A 54 LYS HA A 54 LYS HGx 1.0 1.8 5.0 1104 904 A 54 LYS HA A 54 LYS HGy 1.0 1.8 5.0 1105 905 A 54 LYS HEy A 54 LYS HBx 1.0 1.8 5.0 1106 905 A 54 LYS HBx A 54 LYS HEx 1.0 1.8 5.0 1107 906 A 54 LYS HEy A 54 LYS HBy 1.0 1.8 5.0 1108 906 A 54 LYS HBy A 54 LYS HEx 1.0 1.8 5.0 1109 907 A 54 LYS HDy A 54 LYS HEx 1.0 1.8 3.5 1110 907 A 54 LYS HDx A 54 LYS HEx 1.0 1.8 3.5 1111 907 A 54 LYS HEy A 54 LYS HDx 1.0 1.8 3.5 1112 907 A 54 LYS HDy A 54 LYS HEy 1.0 1.8 3.5 1113 908 A 54 LYS HEy A 54 LYS HGx 1.0 1.8 3.5 1114 908 A 54 LYS HEx A 54 LYS HGx 1.0 1.8 3.5 1115 908 A 54 LYS HGy A 54 LYS HEx 1.0 1.8 3.5 1116 908 A 54 LYS HGy A 54 LYS HEy 1.0 1.8 3.5 1117 909 A 54 LYS H A 54 LYS HBx 1.0 1.8 5.0 1118 910 A 54 LYS H A 54 LYS HBy 1.0 1.8 5.0 1119 911 A 54 LYS H A 54 LYS HBx 1.0 1.8 3.5 1120 911 A 54 LYS H A 54 LYS HBy 1.0 1.8 3.5 1121 912 A 54 LYS H A 54 LYS HGx 1.0 1.8 5.0 1122 912 A 54 LYS H A 54 LYS HGy 1.0 1.8 5.0 1123 913 A 40 PHE HE% A 55 LEU HD1% 1.0 1.8 5.0 1124 914 A 44 ALA HA A 55 LEU HD1% 1.0 1.8 5.0 1125 915 A 44 ALA HB% A 55 LEU HBy 1.0 1.8 5.0 1126 916 A 44 ALA HB% A 55 LEU HD1% 1.0 1.8 5.0 1127 917 A 47 ILE HB A 55 LEU HD1% 1.0 1.8 5.0 1128 918 A 48 ASP H A 55 LEU HD1% 1.0 1.8 5.0 1129 919 A 53 ILE HD1% A 55 LEU HA 1.0 1.8 5.0 1130 920 A 53 ILE HD1% A 55 LEU HG 1.0 1.8 5.0 1131 921 A 53 ILE HD1% A 55 LEU H 1.0 1.8 6.0 1132 922 A 54 LYS HA A 55 LEU HA 1.0 1.8 5.0 1133 923 A 54 LYS HA A 55 LEU HBy 1.0 1.8 6.0 1134 924 A 54 LYS HA A 55 LEU H 1.0 1.8 3.5 1135 925 A 55 LEU H A 54 LYS HGx 1.0 1.8 6.0 1136 925 A 54 LYS HGy A 55 LEU H 1.0 1.8 6.0 1137 926 A 55 LEU HD1% A 55 LEU HA 1.0 1.8 5.0 1138 927 A 55 LEU HA A 55 LEU HD2% 1.0 1.8 3.5 1139 928 A 55 LEU HD2% A 55 LEU HBx 1.0 1.8 3.5 1140 929 A 55 LEU H A 55 LEU HBx 1.0 1.8 5.0 1141 930 A 55 LEU HD1% A 55 LEU H 1.0 1.8 5.0 1142 931 A 55 LEU H A 55 LEU HD2% 1.0 1.8 6.0 1143 932 A 55 LEU HG A 55 LEU H 1.0 1.8 5.0 1144 933 A 55 LEU HA A 56 PRO HDx 1.0 1.8 3.5 1145 934 A 55 LEU HA A 56 PRO HDy 1.0 1.8 3.5 1146 935 A 55 LEU HBy A 56 PRO HDx 1.0 1.8 6.0 1147 936 A 55 LEU HBy A 56 PRO HDy 1.0 1.8 6.0 1148 937 A 55 LEU HD2% A 56 PRO HDx 1.0 1.8 5.0 1149 938 A 55 LEU HD2% A 56 PRO HDy 1.0 1.8 5.0 1150 939 A 55 LEU HD2% A 56 PRO HDx 1.0 1.8 5.0 1151 939 A 55 LEU HD2% A 56 PRO HDy 1.0 1.8 5.0 1152 940 A 57 LEU HD1% A 40 PHE HBx 1.0 1.8 5.0 1153 940 A 40 PHE HBy A 57 LEU HD1% 1.0 1.8 5.0 1154 941 A 57 LEU HD2% A 40 PHE HBx 1.0 1.8 6.0 1155 941 A 40 PHE HBy A 57 LEU HD2% 1.0 1.8 6.0 1156 942 A 40 PHE HD% A 57 LEU HD1% 1.0 1.8 5.0 1157 943 A 40 PHE HD% A 57 LEU HD2% 1.0 1.8 5.0 1158 944 A 40 PHE HE% A 57 LEU HD1% 1.0 1.8 5.0 1159 945 A 40 PHE HE% A 57 LEU HD2% 1.0 1.8 3.5 1160 946 A 41 LEU HA A 57 LEU HD1% 1.0 1.8 5.0 1161 947 A 41 LEU HA A 57 LEU HD2% 1.0 1.8 5.0 1162 948 A 44 ALA HA A 57 LEU HD2% 1.0 1.8 5.0 1163 949 A 44 ALA HB% A 57 LEU HD1% 1.0 1.8 5.0 1164 950 A 44 ALA HB% A 57 LEU HD2% 1.0 1.8 3.5 1165 951 A 44 ALA H A 57 LEU HD2% 1.0 1.8 5.0 1166 952 A 55 LEU HBy A 57 LEU HD2% 1.0 1.8 5.0 1167 953 A 55 LEU H A 57 LEU HD2% 1.0 1.8 6.0 1168 954 A 56 PRO HA A 57 LEU H 1.0 1.8 3.5 1169 955 A 57 LEU HD1% A 57 LEU HA 1.0 1.8 5.0 1170 956 A 57 LEU HD2% A 57 LEU HA 1.0 1.8 3.5 1171 957 A 57 LEU HD2% A 57 LEU HBx 1.0 1.8 5.0 1172 958 A 57 LEU HD2% A 57 LEU HBy 1.0 1.8 5.0 1173 959 A 57 LEU HD1% A 57 LEU HBy 1.0 1.8 3.5 1174 959 A 57 LEU HD1% A 57 LEU HBx 1.0 1.8 3.5 1175 960 A 57 LEU H A 57 LEU HBx 1.0 1.8 5.0 1176 961 A 57 LEU H A 57 LEU HBy 1.0 1.8 5.0 1177 962 A 57 LEU H A 57 LEU HBy 1.0 1.8 3.5 1178 962 A 57 LEU H A 57 LEU HBx 1.0 1.8 3.5 1179 963 A 57 LEU HD1% A 57 LEU H 1.0 1.8 5.0 1180 964 A 57 LEU HD2% A 57 LEU H 1.0 1.8 5.0 1181 965 A 57 LEU H A 57 LEU HG 1.0 1.8 5.0 1182 966 A 56 PRO HA A 58 GLU H 1.0 1.8 5.0 1183 967 A 57 LEU HBx A 58 GLU HGy 1.0 1.8 6.0 1184 967 A 57 LEU HBx A 58 GLU HGx 1.0 1.8 6.0 1185 968 A 58 GLU HGy A 57 LEU HBy 1.0 1.8 6.0 1186 968 A 57 LEU HBy A 58 GLU HGx 1.0 1.8 6.0 1187 969 A 58 GLU HA A 57 LEU HBy 1.0 1.8 5.0 1188 969 A 57 LEU HBx A 58 GLU HA 1.0 1.8 5.0 1189 970 A 57 LEU HBx A 58 GLU HBx 1.0 1.8 5.0 1190 970 A 57 LEU HBy A 58 GLU HBx 1.0 1.8 5.0 1191 970 A 58 GLU HBy A 57 LEU HBy 1.0 1.8 5.0 1192 970 A 57 LEU HBx A 58 GLU HBy 1.0 1.8 5.0 1193 971 A 57 LEU HBx A 58 GLU HGx 1.0 1.8 5.0 1194 971 A 57 LEU HBy A 58 GLU HGx 1.0 1.8 5.0 1195 971 A 58 GLU HGy A 57 LEU HBy 1.0 1.8 5.0 1196 971 A 57 LEU HBx A 58 GLU HGy 1.0 1.8 5.0 1197 972 A 58 GLU H A 57 LEU HBy 1.0 1.8 5.0 1198 972 A 57 LEU HBx A 58 GLU H 1.0 1.8 5.0 1199 973 A 57 LEU HD1% A 58 GLU HA 1.0 1.8 6.0 1200 974 A 57 LEU H A 58 GLU H 1.0 1.8 5.0 1201 975 A 58 GLU HA A 58 GLU HGx 1.0 1.8 5.0 1202 975 A 58 GLU HGy A 58 GLU HA 1.0 1.8 5.0 1203 976 A 58 GLU H A 58 GLU HBx 1.0 1.8 3.5 1204 976 A 58 GLU H A 58 GLU HBy 1.0 1.8 3.5 1205 977 A 58 GLU H A 58 GLU HGx 1.0 1.8 5.0 1206 977 A 58 GLU H A 58 GLU HGy 1.0 1.8 5.0 1207 978 A 56 PRO HA A 59 LYS H 1.0 1.8 6.0 1208 979 A 59 LYS H A 56 PRO HBx 1.0 1.8 6.0 1209 980 A 59 LYS H A 56 PRO HBy 1.0 1.8 6.0 1210 981 A 59 LYS H A 56 PRO HBx 1.0 1.8 5.0 1211 981 A 59 LYS H A 56 PRO HBy 1.0 1.8 5.0 1212 982 A 57 LEU HA A 59 LYS H 1.0 1.8 6.0 1213 983 A 59 LYS H A 58 GLU HBx 1.0 1.8 3.5 1214 983 A 58 GLU HBy A 59 LYS H 1.0 1.8 3.5 1215 984 A 59 LYS H A 58 GLU HGx 1.0 1.8 5.0 1216 984 A 58 GLU HGy A 59 LYS H 1.0 1.8 5.0 1217 985 A 58 GLU H A 59 LYS H 1.0 1.8 5.0 1218 986 A 59 LYS HA A 59 LYS HDx 1.0 1.8 5.0 1219 986 A 59 LYS HA A 59 LYS HDy 1.0 1.8 5.0 1220 987 A 59 LYS HA A 59 LYS HGy 1.0 1.8 3.5 1221 988 A 59 LYS HA A 59 LYS HGx 1.0 1.8 5.0 1222 989 A 59 LYS HGy A 59 LYS HEx 1.0 1.8 5.0 1223 989 A 59 LYS HGy A 59 LYS HEy 1.0 1.8 5.0 1224 990 A 59 LYS HGx A 59 LYS HEx 1.0 1.8 5.0 1225 990 A 59 LYS HGx A 59 LYS HEy 1.0 1.8 5.0 1226 991 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.5 1227 991 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.5 1228 992 A 59 LYS H A 59 LYS HGy 1.0 1.8 5.0 1229 993 A 59 LYS H A 59 LYS HGx 1.0 1.8 5.0 1230 994 A 6 ASP H A 3 SER HBy 1.0 1.8 5.0 1231 994 A 3 SER HBx A 6 ASP H 1.0 1.8 5.0 1232 995 A 3 SER H A 6 ASP HBx 1.0 1.8 6.0 1233 996 A 3 SER H A 6 ASP HBy 1.0 1.8 6.0 1234 997 A 6 ASP H A 5 PHE HBx 1.0 1.8 5.0 1235 998 A 5 PHE HBy A 6 ASP H 1.0 1.8 5.0 1236 999 A 6 ASP H A 5 PHE HBx 1.0 1.8 5.0 1237 999 A 5 PHE HBy A 6 ASP H 1.0 1.8 5.0 1238 1000 A 5 PHE HD% A 6 ASP HA 1.0 1.8 5.0 1239 1001 A 5 PHE HD% A 6 ASP H 1.0 1.8 5.0 1240 1002 A 5 PHE H A 6 ASP H 1.0 1.8 5.0 1241 1003 A 6 ASP H A 6 ASP HBx 1.0 1.8 5.0 1242 1004 A 6 ASP H A 6 ASP HBy 1.0 1.8 5.0 1243 1005 A 6 ASP H A 6 ASP HBx 1.0 1.8 3.5 1244 1005 A 6 ASP H A 6 ASP HBy 1.0 1.8 3.5 1245 1006 A 55 LEU HBx A 60 TRP HH2 1.0 1.8 5.0 1246 1007 A 55 LEU HBy A 60 TRP HZ3 1.0 1.8 6.0 1247 1008 A 55 LEU HD1% A 60 TRP HH2 1.0 1.8 5.0 1248 1009 A 55 LEU HD1% A 60 TRP HZ3 1.0 1.8 5.0 1249 1010 A 55 LEU HD2% A 60 TRP HH2 1.0 1.8 5.0 1250 1011 A 55 LEU HD2% A 60 TRP HZ2 1.0 1.8 5.0 1251 1012 A 55 LEU HD2% A 60 TRP HZ3 1.0 1.8 5.0 1252 1013 A 60 TRP HZ2 A 56 PRO HDx 1.0 1.8 5.0 1253 1013 A 56 PRO HDy A 60 TRP HZ2 1.0 1.8 5.0 1254 1014 A 60 TRP HE1 A 56 PRO HGx 1.0 1.8 5.0 1255 1015 A 60 TRP HE1 A 56 PRO HGy 1.0 1.8 5.0 1256 1016 A 60 TRP HE1 A 56 PRO HGx 1.0 1.8 5.0 1257 1016 A 60 TRP HE1 A 56 PRO HGy 1.0 1.8 5.0 1258 1017 A 60 TRP HZ2 A 56 PRO HGx 1.0 1.8 5.0 1259 1017 A 60 TRP HZ2 A 56 PRO HGy 1.0 1.8 5.0 1260 1018 A 57 LEU HA A 60 TRP HBx 1.0 1.8 5.0 1261 1019 A 57 LEU HA A 60 TRP HBy 1.0 1.8 5.0 1262 1020 A 57 LEU HA A 60 TRP HE3 1.0 1.8 5.0 1263 1021 A 57 LEU HA A 60 TRP H 1.0 1.8 5.0 1264 1022 A 57 LEU HD1% A 60 TRP HE3 1.0 1.8 5.0 1265 1023 A 57 LEU HD2% A 60 TRP HE3 1.0 1.8 5.0 1266 1024 A 60 TRP HD1 A 59 LYS HBx 1.0 1.8 5.0 1267 1024 A 59 LYS HBy A 60 TRP HD1 1.0 1.8 5.0 1268 1025 A 60 TRP H A 59 LYS HBx 1.0 1.8 3.5 1269 1025 A 59 LYS HBy A 60 TRP H 1.0 1.8 3.5 1270 1026 A 59 LYS HGy A 60 TRP HD1 1.0 1.8 6.0 1271 1027 A 59 LYS HGy A 60 TRP H 1.0 1.8 6.0 1272 1028 A 59 LYS HGx A 60 TRP HD1 1.0 1.8 5.0 1273 1029 A 59 LYS HGx A 60 TRP H 1.0 1.8 6.0 1274 1030 A 59 LYS H A 60 TRP HBy 1.0 1.8 6.0 1275 1031 A 59 LYS H A 60 TRP H 1.0 1.8 3.5 1276 1032 A 60 TRP HD1 A 60 TRP HA 1.0 1.8 5.0 1277 1033 A 60 TRP HBy A 60 TRP H 1.0 1.8 3.5 1278 1034 A 60 TRP H A 60 TRP HD1 1.0 1.8 5.0 1279 1035 A 60 TRP HE3 A 60 TRP H 1.0 1.8 6.0 1280 1036 A 58 GLU HA A 61 THR HB 1.0 1.8 5.0 1281 1037 A 58 GLU HA A 61 THR HG2% 1.0 1.8 5.0 1282 1038 A 58 GLU HA A 61 THR H 1.0 1.8 5.0 1283 1039 A 61 THR HB A 58 GLU HBx 1.0 1.8 6.0 1284 1039 A 58 GLU HBy A 61 THR HB 1.0 1.8 6.0 1285 1040 A 61 THR H A 58 GLU HBx 1.0 1.8 6.0 1286 1040 A 58 GLU HBy A 61 THR H 1.0 1.8 6.0 1287 1041 A 61 THR HB A 58 GLU HGx 1.0 1.8 6.0 1288 1041 A 58 GLU HGy A 61 THR HB 1.0 1.8 6.0 1289 1042 A 59 LYS HA A 61 THR H 1.0 1.8 6.0 1290 1043 A 61 THR H A 59 LYS HBx 1.0 1.8 6.0 1291 1043 A 59 LYS HBy A 61 THR H 1.0 1.8 6.0 1292 1044 A 59 LYS H A 61 THR H 1.0 1.8 6.0 1293 1045 A 60 TRP HBx A 61 THR H 1.0 1.8 5.0 1294 1046 A 60 TRP HBy A 61 THR H 1.0 1.8 5.0 1295 1047 A 60 TRP H A 61 THR H 1.0 1.8 5.0 1296 1048 A 61 THR HG2% A 61 THR HA 1.0 1.8 3.5 1297 1049 A 61 THR HB A 61 THR H 1.0 1.8 5.0 1298 1050 A 61 THR HG2% A 61 THR H 1.0 1.8 5.0 1299 1051 A 58 GLU HA A 62 GLN H 1.0 1.8 6.0 1300 1052 A 59 LYS HA A 62 GLN HBx 1.0 1.8 3.5 1301 1052 A 59 LYS HA A 62 GLN HBy 1.0 1.8 3.5 1302 1053 A 59 LYS HA A 62 GLN HGy 1.0 1.8 5.0 1303 1053 A 59 LYS HA A 62 GLN HGx 1.0 1.8 5.0 1304 1054 A 59 LYS HA A 62 GLN H 1.0 1.8 5.0 1305 1055 A 59 LYS HGy A 62 GLN HBx 1.0 1.8 6.0 1306 1055 A 59 LYS HGy A 62 GLN HBy 1.0 1.8 6.0 1307 1056 A 59 LYS HGx A 62 GLN HBx 1.0 1.8 6.0 1308 1056 A 59 LYS HGx A 62 GLN HBy 1.0 1.8 6.0 1309 1057 A 60 TRP H A 62 GLN H 1.0 1.8 5.0 1310 1058 A 61 THR HB A 62 GLN HA 1.0 1.8 5.0 1311 1059 A 61 THR HB A 62 GLN HBx 1.0 1.8 6.0 1312 1059 A 61 THR HB A 62 GLN HBy 1.0 1.8 6.0 1313 1060 A 61 THR HB A 62 GLN H 1.0 1.8 3.5 1314 1061 A 61 THR HG2% A 62 GLN HA 1.0 1.8 5.0 1315 1062 A 61 THR HG2% A 62 GLN H 1.0 1.8 5.0 1316 1063 A 61 THR H A 62 GLN HBx 1.0 1.8 5.0 1317 1063 A 61 THR H A 62 GLN HBy 1.0 1.8 5.0 1318 1064 A 61 THR H A 62 GLN H 1.0 1.8 3.5 1319 1065 A 62 GLN HA A 62 GLN HE21 1.0 1.8 6.0 1320 1065 A 62 GLN HA A 62 GLN HE22 1.0 1.8 6.0 1321 1066 A 62 GLN HGx A 62 GLN HA 1.0 1.8 5.0 1322 1067 A 62 GLN HA A 62 GLN HGy 1.0 1.8 5.0 1323 1068 A 62 GLN HE21 A 62 GLN HBx 1.0 1.8 6.0 1324 1068 A 62 GLN HBy A 62 GLN HE21 1.0 1.8 6.0 1325 1069 A 62 GLN HE22 A 62 GLN HBx 1.0 1.8 6.0 1326 1069 A 62 GLN HBy A 62 GLN HE22 1.0 1.8 6.0 1327 1070 A 62 GLN HGx A 62 GLN HBx 1.0 1.8 3.5 1328 1070 A 62 GLN HBy A 62 GLN HGx 1.0 1.8 3.5 1329 1071 A 62 GLN HBx A 62 GLN HGy 1.0 1.8 3.5 1330 1071 A 62 GLN HBy A 62 GLN HGy 1.0 1.8 3.5 1331 1072 A 62 GLN H A 62 GLN HBx 1.0 1.8 3.5 1332 1072 A 62 GLN H A 62 GLN HBy 1.0 1.8 3.5 1333 1073 A 62 GLN H A 62 GLN HGx 1.0 1.8 5.0 1334 1074 A 62 GLN H A 62 GLN HGy 1.0 1.8 5.0 1335 1075 A 59 LYS HA A 63 GLU H 1.0 1.8 6.0 1336 1076 A 59 LYS HGy A 63 GLU HGx 1.0 1.8 5.0 1337 1077 A 59 LYS HGx A 63 GLU HGx 1.0 1.8 5.0 1338 1078 A 59 LYS HGx A 63 GLU HGy 1.0 1.8 6.0 1339 1079 A 60 TRP HA A 63 GLU HBy 1.0 1.8 5.0 1340 1080 A 60 TRP HA A 63 GLU H 1.0 1.8 6.0 1341 1081 A 63 GLU H A 62 GLN HBx 1.0 1.8 3.5 1342 1081 A 62 GLN HBy A 63 GLU H 1.0 1.8 3.5 1343 1082 A 62 GLN HGx A 63 GLU H 1.0 1.8 5.0 1344 1083 A 63 GLU H A 62 GLN HGy 1.0 1.8 5.0 1345 1084 A 62 GLN H A 63 GLU H 1.0 1.8 3.5 1346 1085 A 63 GLU HGx A 63 GLU HA 1.0 1.8 5.0 1347 1086 A 63 GLU HGy A 63 GLU HA 1.0 1.8 3.5 1348 1087 A 63 GLU H A 63 GLU HBx 1.0 1.8 5.0 1349 1088 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.5 1350 1089 A 63 GLU H A 63 GLU HGx 1.0 1.8 3.5 1351 1090 A 63 GLU H A 63 GLU HGy 1.0 1.8 5.0 1352 1091 A 61 THR HA A 64 VAL HB 1.0 1.8 5.0 1353 1092 A 61 THR HA A 64 VAL HG1% 1.0 1.8 5.0 1354 1093 A 61 THR HA A 64 VAL HG2% 1.0 1.8 5.0 1355 1094 A 61 THR HA A 64 VAL H 1.0 1.8 5.0 1356 1095 A 61 THR HG2% A 64 VAL HB 1.0 1.8 5.0 1357 1096 A 62 GLN H A 64 VAL H 1.0 1.8 5.0 1358 1097 A 63 GLU HBx A 64 VAL HG2% 1.0 1.8 5.0 1359 1098 A 63 GLU HBx A 64 VAL H 1.0 1.8 5.0 1360 1099 A 63 GLU HBy A 64 VAL HG2% 1.0 1.8 5.0 1361 1100 A 63 GLU HBy A 64 VAL H 1.0 1.8 5.0 1362 1101 A 63 GLU H A 64 VAL HG2% 1.0 1.8 5.0 1363 1102 A 63 GLU H A 64 VAL H 1.0 1.8 5.0 1364 1103 A 64 VAL HG1% A 64 VAL HA 1.0 1.8 3.5 1365 1104 A 64 VAL HG2% A 64 VAL HA 1.0 1.8 3.5 1366 1105 A 64 VAL HB A 64 VAL H 1.0 1.8 3.5 1367 1106 A 64 VAL HG1% A 64 VAL H 1.0 1.8 5.0 1368 1107 A 64 VAL HG2% A 64 VAL H 1.0 1.8 3.5 1369 1108 A 61 THR HA A 65 ASN H 1.0 1.8 5.0 1370 1109 A 61 THR HB A 65 ASN HBx 1.0 1.8 6.0 1371 1109 A 61 THR HB A 65 ASN HBy 1.0 1.8 6.0 1372 1110 A 61 THR HG2% A 65 ASN HBx 1.0 1.8 5.0 1373 1110 A 61 THR HG2% A 65 ASN HBy 1.0 1.8 5.0 1374 1111 A 61 THR HG2% A 65 ASN HD21 1.0 1.8 5.0 1375 1112 A 61 THR HG2% A 65 ASN HD22 1.0 1.8 5.0 1376 1113 A 61 THR HG2% A 65 ASN HD21 1.0 1.8 3.5 1377 1113 A 61 THR HG2% A 65 ASN HD22 1.0 1.8 3.5 1378 1114 A 61 THR HG2% A 65 ASN H 1.0 1.8 5.0 1379 1115 A 62 GLN HA A 65 ASN HBx 1.0 1.8 3.5 1380 1115 A 62 GLN HA A 65 ASN HBy 1.0 1.8 3.5 1381 1116 A 62 GLN HA A 65 ASN HD22 1.0 1.8 5.0 1382 1116 A 62 GLN HA A 65 ASN HD21 1.0 1.8 5.0 1383 1117 A 62 GLN HA A 65 ASN H 1.0 1.8 5.0 1384 1118 A 62 GLN HBx A 65 ASN HBx 1.0 1.8 5.0 1385 1118 A 62 GLN HBy A 65 ASN HBx 1.0 1.8 5.0 1386 1118 A 65 ASN HBy A 62 GLN HBx 1.0 1.8 5.0 1387 1118 A 62 GLN HBy A 65 ASN HBy 1.0 1.8 5.0 1388 1119 A 64 VAL HB A 65 ASN HBx 1.0 1.8 6.0 1389 1119 A 64 VAL HB A 65 ASN HBy 1.0 1.8 6.0 1390 1120 A 64 VAL HB A 65 ASN H 1.0 1.8 3.5 1391 1121 A 64 VAL HG1% A 65 ASN HA 1.0 1.8 5.0 1392 1122 A 64 VAL HG1% A 65 ASN HBx 1.0 1.8 5.0 1393 1122 A 64 VAL HG1% A 65 ASN HBy 1.0 1.8 5.0 1394 1123 A 64 VAL HG1% A 65 ASN H 1.0 1.8 5.0 1395 1124 A 64 VAL HG2% A 65 ASN H 1.0 1.8 5.0 1396 1125 A 64 VAL H A 65 ASN H 1.0 1.8 3.5 1397 1126 A 65 ASN HD21 A 65 ASN HBx 1.0 1.8 5.0 1398 1126 A 65 ASN HBy A 65 ASN HD21 1.0 1.8 5.0 1399 1127 A 65 ASN HD22 A 65 ASN HBx 1.0 1.8 5.0 1400 1127 A 65 ASN HBy A 65 ASN HD22 1.0 1.8 5.0 1401 1128 A 65 ASN HBy A 65 ASN HD21 1.0 1.8 3.5 1402 1128 A 65 ASN HBy A 65 ASN HD22 1.0 1.8 3.5 1403 1128 A 65 ASN HD21 A 65 ASN HBx 1.0 1.8 3.5 1404 1128 A 65 ASN HD22 A 65 ASN HBx 1.0 1.8 3.5 1405 1129 A 65 ASN H A 65 ASN HBx 1.0 1.8 3.5 1406 1129 A 65 ASN H A 65 ASN HBy 1.0 1.8 3.5 1407 1130 A 65 ASN H A 65 ASN HD21 1.0 1.8 5.0 1408 1130 A 65 ASN H A 65 ASN HD22 1.0 1.8 5.0 1409 1131 A 63 GLU HA A 66 ASP HBx 1.0 1.8 5.0 1410 1132 A 63 GLU HA A 66 ASP HBy 1.0 1.8 5.0 1411 1133 A 63 GLU HA A 66 ASP H 1.0 1.8 5.0 1412 1134 A 64 VAL HA A 66 ASP H 1.0 1.8 5.0 1413 1135 A 64 VAL HG1% A 66 ASP H 1.0 1.8 5.0 1414 1136 A 66 ASP H A 65 ASN HBx 1.0 1.8 5.0 1415 1136 A 65 ASN HBy A 66 ASP H 1.0 1.8 5.0 1416 1137 A 66 ASP H A 66 ASP HBx 1.0 1.8 5.0 1417 1138 A 66 ASP H A 66 ASP HBy 1.0 1.8 5.0 1418 1139 A 66 ASP H A 66 ASP HBx 1.0 1.8 3.5 1419 1139 A 66 ASP H A 66 ASP HBy 1.0 1.8 3.5 1420 1140 A 63 GLU HBx A 67 GLY H 1.0 1.8 6.0 1421 1141 A 64 VAL HB A 67 GLY H 1.0 1.8 6.0 1422 1142 A 64 VAL HG1% A 67 GLY H 1.0 1.8 5.0 1423 1143 A 65 ASN HA A 67 GLY H 1.0 1.8 5.0 1424 1144 A 66 ASP HA A 67 GLY HAx 1.0 1.8 5.0 1425 1145 A 67 GLY H A 66 ASP HBx 1.0 1.8 5.0 1426 1145 A 66 ASP HBy A 67 GLY H 1.0 1.8 5.0 1427 1146 A 66 ASP H A 67 GLY H 1.0 1.8 3.5 1428 1147 A 63 GLU HA A 68 LYS HBx 1.0 1.8 5.0 1429 1148 A 63 GLU HA A 68 LYS HBy 1.0 1.8 5.0 1430 1149 A 63 GLU HA A 68 LYS HDx 1.0 1.8 5.0 1431 1149 A 63 GLU HA A 68 LYS HDy 1.0 1.8 5.0 1432 1150 A 63 GLU HBy A 68 LYS HBy 1.0 1.8 5.0 1433 1151 A 63 GLU HGx A 68 LYS HBy 1.0 1.8 5.0 1434 1152 A 63 GLU HGy A 68 LYS HGx 1.0 1.8 6.0 1435 1153 A 63 GLU HGy A 68 LYS HGy 1.0 1.8 6.0 1436 1154 A 64 VAL HA A 68 LYS H 1.0 1.8 6.0 1437 1155 A 68 LYS HBy A 66 ASP HBx 1.0 1.8 5.0 1438 1156 A 66 ASP HBy A 68 LYS HBy 1.0 1.8 5.0 1439 1157 A 68 LYS HBy A 66 ASP HBx 1.0 1.8 5.0 1440 1157 A 66 ASP HBy A 68 LYS HBy 1.0 1.8 5.0 1441 1158 A 66 ASP HBy A 68 LYS HDx 1.0 1.8 6.0 1442 1158 A 66 ASP HBx A 68 LYS HDx 1.0 1.8 6.0 1443 1158 A 68 LYS HDy A 66 ASP HBx 1.0 1.8 6.0 1444 1158 A 66 ASP HBy A 68 LYS HDy 1.0 1.8 6.0 1445 1159 A 66 ASP HBy A 68 LYS HGx 1.0 1.8 5.0 1446 1159 A 66 ASP HBx A 68 LYS HGx 1.0 1.8 5.0 1447 1159 A 68 LYS HGy A 66 ASP HBx 1.0 1.8 5.0 1448 1159 A 66 ASP HBy A 68 LYS HGy 1.0 1.8 5.0 1449 1160 A 68 LYS H A 66 ASP HBx 1.0 1.8 5.0 1450 1160 A 66 ASP HBy A 68 LYS H 1.0 1.8 5.0 1451 1161 A 67 GLY HAx A 68 LYS HGx 1.0 1.8 6.0 1452 1161 A 67 GLY HAx A 68 LYS HGy 1.0 1.8 6.0 1453 1162 A 67 GLY H A 68 LYS HBy 1.0 1.8 5.0 1454 1163 A 67 GLY H A 68 LYS HGx 1.0 1.8 5.0 1455 1163 A 67 GLY H A 68 LYS HGy 1.0 1.8 5.0 1456 1164 A 67 GLY H A 68 LYS H 1.0 1.8 3.5 1457 1165 A 68 LYS HA A 68 LYS HDx 1.0 1.8 5.0 1458 1165 A 68 LYS HDy A 68 LYS HA 1.0 1.8 5.0 1459 1166 A 68 LYS HA A 68 LYS HGx 1.0 1.8 5.0 1460 1167 A 68 LYS HGy A 68 LYS HA 1.0 1.8 5.0 1461 1168 A 68 LYS HA A 68 LYS HGx 1.0 1.8 3.5 1462 1168 A 68 LYS HGy A 68 LYS HA 1.0 1.8 3.5 1463 1169 A 68 LYS HBx A 68 LYS HDx 1.0 1.8 3.5 1464 1169 A 68 LYS HBx A 68 LYS HDy 1.0 1.8 3.5 1465 1170 A 68 LYS HBx A 68 LYS HEx 1.0 1.8 6.0 1466 1170 A 68 LYS HBx A 68 LYS HEy 1.0 1.8 6.0 1467 1171 A 68 LYS HBy A 68 LYS HEx 1.0 1.8 6.0 1468 1171 A 68 LYS HBy A 68 LYS HEy 1.0 1.8 6.0 1469 1172 A 68 LYS HEy A 68 LYS HGx 1.0 1.8 5.0 1470 1172 A 68 LYS HEx A 68 LYS HGx 1.0 1.8 5.0 1471 1173 A 68 LYS HGy A 68 LYS HEx 1.0 1.8 5.0 1472 1173 A 68 LYS HGy A 68 LYS HEy 1.0 1.8 5.0 1473 1174 A 68 LYS HBx A 68 LYS H 1.0 1.8 5.0 1474 1175 A 68 LYS HBy A 68 LYS H 1.0 1.8 3.5 1475 1176 A 68 LYS H A 68 LYS HDx 1.0 1.8 6.0 1476 1176 A 68 LYS HDy A 68 LYS H 1.0 1.8 6.0 1477 1177 A 68 LYS H A 68 LYS HEx 1.0 1.8 5.0 1478 1177 A 68 LYS H A 68 LYS HEy 1.0 1.8 5.0 1479 1178 A 68 LYS H A 68 LYS HGx 1.0 1.8 5.0 1480 1179 A 68 LYS H A 68 LYS HGy 1.0 1.8 5.0 1481 1180 A 68 LYS H A 68 LYS HGx 1.0 1.8 3.5 1482 1180 A 68 LYS H A 68 LYS HGy 1.0 1.8 3.5 1483 1181 A 63 GLU HA A 69 ALA H 1.0 1.8 6.0 1484 1182 A 63 GLU HBx A 69 ALA HB% 1.0 1.8 3.5 1485 1183 A 63 GLU HBx A 69 ALA H 1.0 1.8 5.0 1486 1184 A 63 GLU HBy A 69 ALA HB% 1.0 1.8 5.0 1487 1185 A 63 GLU HBy A 69 ALA H 1.0 1.8 6.0 1488 1186 A 63 GLU HGy A 69 ALA H 1.0 1.8 6.0 1489 1187 A 63 GLU H A 69 ALA HB% 1.0 1.8 6.0 1490 1188 A 64 VAL HA A 69 ALA HB% 1.0 1.8 5.0 1491 1189 A 64 VAL HA A 69 ALA H 1.0 1.8 5.0 1492 1190 A 64 VAL HG2% A 69 ALA HB% 1.0 1.8 3.5 1493 1191 A 64 VAL HG2% A 69 ALA H 1.0 1.8 5.0 1494 1192 A 64 VAL H A 69 ALA HB% 1.0 1.8 5.0 1495 1193 A 67 GLY H A 69 ALA H 1.0 1.8 5.0 1496 1194 A 68 LYS HBx A 69 ALA H 1.0 1.8 5.0 1497 1195 A 68 LYS HBy A 69 ALA H 1.0 1.8 5.0 1498 1196 A 69 ALA H A 68 LYS HGx 1.0 1.8 5.0 1499 1196 A 68 LYS HGy A 69 ALA H 1.0 1.8 5.0 1500 1197 A 68 LYS H A 69 ALA HB% 1.0 1.8 6.0 1501 1198 A 68 LYS H A 69 ALA H 1.0 1.8 3.5 1502 1199 A 69 ALA H A 69 ALA HB% 1.0 1.8 3.5 1503 1200 A 4 THR HA A 7 ARG HBx 1.0 1.8 6.0 1504 1201 A 4 THR HB A 7 ARG HBy 1.0 1.8 6.0 1505 1202 A 4 THR HG2% A 7 ARG HBx 1.0 1.8 5.0 1506 1203 A 4 THR HG2% A 7 ARG HBy 1.0 1.8 5.0 1507 1204 A 7 ARG H A 6 ASP HBx 1.0 1.8 5.0 1508 1205 A 6 ASP HBy A 7 ARG H 1.0 1.8 5.0 1509 1206 A 7 ARG H A 6 ASP HBx 1.0 1.8 3.5 1510 1206 A 6 ASP HBy A 7 ARG H 1.0 1.8 3.5 1511 1207 A 7 ARG HBy A 6 ASP H 1.0 1.8 5.0 1512 1208 A 7 ARG HA A 7 ARG HDx 1.0 1.8 5.0 1513 1209 A 7 ARG HA A 7 ARG HDy 1.0 1.8 5.0 1514 1210 A 7 ARG HA A 7 ARG HGx 1.0 1.8 5.0 1515 1211 A 7 ARG HA A 7 ARG HGy 1.0 1.8 5.0 1516 1212 A 7 ARG HBy A 7 ARG HDx 1.0 1.8 5.0 1517 1212 A 7 ARG HBy A 7 ARG HDy 1.0 1.8 5.0 1518 1213 A 7 ARG HBx A 7 ARG H 1.0 1.8 5.0 1519 1214 A 7 ARG HBy A 7 ARG H 1.0 1.8 3.5 1520 1215 A 7 ARG H A 7 ARG HDx 1.0 1.8 6.0 1521 1216 A 7 ARG H A 7 ARG HDy 1.0 1.8 6.0 1522 1217 A 7 ARG H A 7 ARG HDx 1.0 1.8 5.0 1523 1217 A 7 ARG H A 7 ARG HDy 1.0 1.8 5.0 1524 1218 A 7 ARG HGx A 7 ARG H 1.0 1.8 5.0 1525 1219 A 7 ARG H A 7 ARG HGy 1.0 1.8 3.5 1526 1220 A 64 VAL HG1% A 70 THR HA 1.0 1.8 5.0 1527 1221 A 69 ALA HA A 70 THR H 1.0 1.8 3.5 1528 1222 A 69 ALA HB% A 70 THR H 1.0 1.8 3.5 1529 1223 A 69 ALA H A 70 THR H 1.0 1.8 5.0 1530 1224 A 70 THR HA A 70 THR HG2% 1.0 1.8 2.7 1531 1225 A 70 THR H A 70 THR HG2% 1.0 1.8 5.0 1532 1226 A 28 HIS HE1 A 71 THR HB 1.0 1.8 5.0 1533 1227 A 28 HIS HE1 A 71 THR HG2% 1.0 1.8 5.0 1534 1228 A 30 ILE HD1% A 71 THR HB 1.0 1.8 5.0 1535 1229 A 30 ILE HD1% A 71 THR HG2% 1.0 1.8 5.0 1536 1230 A 64 VAL HB A 71 THR HG2% 1.0 1.8 5.0 1537 1231 A 64 VAL HG1% A 71 THR HA 1.0 1.8 5.0 1538 1232 A 64 VAL HG1% A 71 THR HB 1.0 1.8 5.0 1539 1233 A 64 VAL HG1% A 71 THR HG2% 1.0 1.8 3.5 1540 1234 A 64 VAL HG1% A 71 THR H 1.0 1.8 5.0 1541 1235 A 64 VAL HG2% A 71 THR HA 1.0 1.8 3.5 1542 1236 A 64 VAL HG2% A 71 THR HB 1.0 1.8 5.0 1543 1237 A 64 VAL HG2% A 71 THR HG2% 1.0 1.8 5.0 1544 1238 A 69 ALA HB% A 71 THR H 1.0 1.8 6.0 1545 1239 A 70 THR HA A 71 THR HG2% 1.0 1.8 5.0 1546 1240 A 70 THR HA A 71 THR H 1.0 1.8 3.5 1547 1241 A 71 THR H A 70 THR HB 1.0 1.8 5.0 1548 1242 A 70 THR HG2% A 71 THR H 1.0 1.8 5.0 1549 1243 A 70 THR H A 71 THR H 1.0 1.8 6.0 1550 1244 A 71 THR HG2% A 71 THR HA 1.0 1.8 3.5 1551 1245 A 71 THR HG2% A 71 THR H 1.0 1.8 5.0 1552 1246 A 28 HIS HD2 A 72 GLU HA 1.0 1.8 5.0 1553 1247 A 28 HIS HD2 A 72 GLU HBx 1.0 1.8 5.0 1554 1247 A 28 HIS HD2 A 72 GLU HBy 1.0 1.8 5.0 1555 1248 A 28 HIS HD2 A 72 GLU HGx 1.0 1.8 6.0 1556 1249 A 28 HIS HD2 A 72 GLU HGy 1.0 1.8 6.0 1557 1250 A 28 HIS HD2 A 72 GLU HGx 1.0 1.8 5.0 1558 1250 A 28 HIS HD2 A 72 GLU HGy 1.0 1.8 5.0 1559 1251 A 70 THR HB A 72 GLU H 1.0 1.8 5.0 1560 1252 A 70 THR HG2% A 72 GLU H 1.0 1.8 5.0 1561 1253 A 71 THR HB A 72 GLU H 1.0 1.8 5.0 1562 1254 A 71 THR HG2% A 72 GLU H 1.0 1.8 5.0 1563 1255 A 71 THR H A 72 GLU H 1.0 1.8 5.0 1564 1256 A 72 GLU H A 72 GLU HBx 1.0 1.8 5.0 1565 1257 A 72 GLU HBy A 72 GLU H 1.0 1.8 5.0 1566 1258 A 72 GLU H A 72 GLU HBx 1.0 1.8 3.5 1567 1258 A 72 GLU HBy A 72 GLU H 1.0 1.8 3.5 1568 1259 A 72 GLU H A 72 GLU HGx 1.0 1.8 5.0 1569 1260 A 72 GLU HGy A 72 GLU H 1.0 1.8 5.0 1570 1261 A 72 GLU H A 72 GLU HGx 1.0 1.8 5.0 1571 1261 A 72 GLU HGy A 72 GLU H 1.0 1.8 5.0 1572 1262 A 69 ALA HA A 73 GLN HE2y 1.0 1.8 5.0 1573 1262 A 69 ALA HA A 73 GLN HE2x 1.0 1.8 5.0 1574 1263 A 69 ALA HB% A 73 GLN HE2y 1.0 1.8 5.0 1575 1264 A 69 ALA HB% A 73 GLN HE2x 1.0 1.8 5.0 1576 1265 A 69 ALA HB% A 73 GLN HE2x 1.0 1.8 5.0 1577 1265 A 69 ALA HB% A 73 GLN HE2y 1.0 1.8 5.0 1578 1266 A 70 THR HG2% A 73 GLN HGy 1.0 1.8 6.0 1579 1266 A 70 THR HG2% A 73 GLN HGx 1.0 1.8 6.0 1580 1267 A 70 THR H A 73 GLN HBx 1.0 1.8 5.0 1581 1267 A 70 THR H A 73 GLN HBy 1.0 1.8 5.0 1582 1268 A 70 THR H A 73 GLN HGy 1.0 1.8 5.0 1583 1268 A 70 THR H A 73 GLN HGx 1.0 1.8 5.0 1584 1269 A 70 THR H A 73 GLN H 1.0 1.8 5.0 1585 1270 A 71 THR HA A 73 GLN H 1.0 1.8 5.0 1586 1271 A 72 GLU HA A 73 GLN HA 1.0 1.8 6.0 1587 1272 A 73 GLN H A 72 GLU HBx 1.0 1.8 5.0 1588 1273 A 72 GLU HBy A 73 GLN H 1.0 1.8 5.0 1589 1274 A 73 GLN H A 72 GLU HGx 1.0 1.8 5.0 1590 1274 A 72 GLU HGy A 73 GLN H 1.0 1.8 5.0 1591 1275 A 72 GLU H A 73 GLN H 1.0 1.8 5.0 1592 1276 A 73 GLN HGx A 73 GLN HA 1.0 1.8 5.0 1593 1277 A 73 GLN HA A 73 GLN HGy 1.0 1.8 5.0 1594 1278 A 73 GLN HBy A 73 GLN H 1.0 1.8 5.0 1595 1279 A 73 GLN H A 73 GLN HBx 1.0 1.8 5.0 1596 1280 A 73 GLN H A 73 GLN HBx 1.0 1.8 3.5 1597 1280 A 73 GLN HBy A 73 GLN H 1.0 1.8 3.5 1598 1281 A 73 GLN H A 73 GLN HGy 1.0 1.8 5.0 1599 1281 A 73 GLN HGx A 73 GLN H 1.0 1.8 5.0 1600 1282 A 60 TRP HA A 74 TYR HE% 1.0 1.8 5.0 1601 1283 A 60 TRP HBx A 74 TYR HD% 1.0 1.8 5.0 1602 1284 A 60 TRP HBx A 74 TYR HE% 1.0 1.8 5.0 1603 1285 A 60 TRP HE1 A 74 TYR HE% 1.0 1.8 5.0 1604 1286 A 60 TRP HE3 A 74 TYR HBx 1.0 1.8 5.0 1605 1286 A 60 TRP HE3 A 74 TYR HBy 1.0 1.8 5.0 1606 1287 A 60 TRP HE3 A 74 TYR HD% 1.0 1.8 6.0 1607 1288 A 60 TRP HH2 A 74 TYR HD% 1.0 1.8 6.0 1608 1289 A 63 GLU HBy A 74 TYR HE% 1.0 1.8 5.0 1609 1290 A 64 VAL HG2% A 74 TYR HD% 1.0 1.8 5.0 1610 1291 A 64 VAL HG2% A 74 TYR HE% 1.0 1.8 5.0 1611 1292 A 69 ALA HB% A 74 TYR HD% 1.0 1.8 5.0 1612 1293 A 69 ALA HB% A 74 TYR HE% 1.0 1.8 3.5 1613 1294 A 73 GLN HBy A 74 TYR H 1.0 1.8 6.0 1614 1295 A 74 TYR H A 73 GLN HBx 1.0 1.8 6.0 1615 1296 A 74 TYR H A 73 GLN HBx 1.0 1.8 5.0 1616 1296 A 73 GLN HBy A 74 TYR H 1.0 1.8 5.0 1617 1297 A 73 GLN H A 74 TYR H 1.0 1.8 5.0 1618 1298 A 74 TYR HD% A 74 TYR HA 1.0 1.8 3.5 1619 1299 A 74 TYR HE% A 74 TYR HA 1.0 1.8 5.0 1620 1300 A 74 TYR H A 74 TYR HBx 1.0 1.8 5.0 1621 1300 A 74 TYR HBy A 74 TYR H 1.0 1.8 5.0 1622 1301 A 74 TYR HD% A 74 TYR H 1.0 1.8 5.0 1623 1302 A 28 HIS HE1 A 75 PHE HBx 1.0 1.8 5.0 1624 1303 A 28 HIS HE1 A 75 PHE HBy 1.0 1.8 5.0 1625 1304 A 28 HIS HE1 A 75 PHE HD% 1.0 1.8 6.0 1626 1305 A 29 ALA HB% A 75 PHE HA 1.0 1.8 5.0 1627 1306 A 29 ALA HB% A 75 PHE HBx 1.0 1.8 5.0 1628 1307 A 29 ALA HB% A 75 PHE HBy 1.0 1.8 6.0 1629 1308 A 29 ALA HB% A 75 PHE HD% 1.0 1.8 5.0 1630 1309 A 29 ALA HB% A 75 PHE HE% 1.0 1.8 6.0 1631 1310 A 29 ALA H A 75 PHE HBx 1.0 1.8 5.0 1632 1311 A 29 ALA H A 75 PHE HBy 1.0 1.8 6.0 1633 1312 A 29 ALA H A 75 PHE HD% 1.0 1.8 6.0 1634 1313 A 30 ILE HD1% A 75 PHE HD% 1.0 1.8 5.0 1635 1314 A 30 ILE HD1% A 75 PHE HE% 1.0 1.8 5.0 1636 1315 A 30 ILE HD1% A 75 PHE HZ 1.0 1.8 5.0 1637 1316 A 75 PHE HBy A 30 ILE HG1x 1.0 1.8 6.0 1638 1316 A 30 ILE HG1y A 75 PHE HBy 1.0 1.8 6.0 1639 1317 A 75 PHE HE% A 30 ILE HG1x 1.0 1.8 5.0 1640 1317 A 30 ILE HG1y A 75 PHE HE% 1.0 1.8 5.0 1641 1318 A 30 ILE HG2% A 75 PHE HE% 1.0 1.8 5.0 1642 1319 A 30 ILE H A 75 PHE HBx 1.0 1.8 5.0 1643 1320 A 30 ILE H A 75 PHE HBy 1.0 1.8 6.0 1644 1321 A 40 PHE HD% A 75 PHE HE% 1.0 1.8 5.0 1645 1322 A 40 PHE HE% A 75 PHE HA 1.0 1.8 6.0 1646 1323 A 61 THR HG2% A 75 PHE HE% 1.0 1.8 5.0 1647 1324 A 61 THR HG2% A 75 PHE HZ 1.0 1.8 5.0 1648 1325 A 64 VAL HG1% A 75 PHE HBy 1.0 1.8 6.0 1649 1326 A 64 VAL HG1% A 75 PHE HD% 1.0 1.8 6.0 1650 1327 A 64 VAL HG1% A 75 PHE HE% 1.0 1.8 6.0 1651 1328 A 64 VAL HG2% A 75 PHE HBy 1.0 1.8 6.0 1652 1329 A 64 VAL HG2% A 75 PHE HE% 1.0 1.8 5.0 1653 1330 A 71 THR HA A 75 PHE HD% 1.0 1.8 5.0 1654 1331 A 71 THR HB A 75 PHE HBy 1.0 1.8 5.0 1655 1332 A 71 THR HB A 75 PHE HD% 1.0 1.8 5.0 1656 1333 A 71 THR HG2% A 75 PHE HD% 1.0 1.8 5.0 1657 1334 A 71 THR HG2% A 75 PHE HE% 1.0 1.8 5.0 1658 1335 A 72 GLU HA A 75 PHE HBy 1.0 1.8 5.0 1659 1336 A 72 GLU HA A 75 PHE H 1.0 1.8 5.0 1660 1337 A 72 GLU H A 75 PHE HBy 1.0 1.8 5.0 1661 1338 A 73 GLN H A 75 PHE H 1.0 1.8 5.0 1662 1339 A 74 TYR HA A 75 PHE HBy 1.0 1.8 6.0 1663 1340 A 75 PHE H A 74 TYR HBx 1.0 1.8 5.0 1664 1341 A 74 TYR HBy A 75 PHE H 1.0 1.8 5.0 1665 1342 A 75 PHE HD% A 74 TYR HBx 1.0 1.8 5.0 1666 1342 A 74 TYR HBy A 75 PHE HD% 1.0 1.8 5.0 1667 1343 A 75 PHE H A 74 TYR HBx 1.0 1.8 5.0 1668 1343 A 74 TYR HBy A 75 PHE H 1.0 1.8 5.0 1669 1344 A 74 TYR HD% A 75 PHE H 1.0 1.8 6.0 1670 1345 A 74 TYR H A 75 PHE H 1.0 1.8 3.5 1671 1346 A 75 PHE HD% A 75 PHE HA 1.0 1.8 5.0 1672 1347 A 75 PHE HBy A 75 PHE H 1.0 1.8 5.0 1673 1348 A 75 PHE HD% A 75 PHE H 1.0 1.8 5.0 1674 1349 A 26 GLU HA A 76 VAL HG1% 1.0 1.8 3.5 1675 1350 A 26 GLU HA A 76 VAL HG2% 1.0 1.8 5.0 1676 1351 A 76 VAL HG1% A 26 GLU HGx 1.0 1.8 5.0 1677 1351 A 26 GLU HGy A 76 VAL HG1% 1.0 1.8 5.0 1678 1352 A 26 GLU H A 76 VAL HG1% 1.0 1.8 5.0 1679 1353 A 27 SER HA A 76 VAL HG1% 1.0 1.8 5.0 1680 1354 A 27 SER H A 76 VAL HG1% 1.0 1.8 5.0 1681 1355 A 28 HIS HA A 76 VAL HG1% 1.0 1.8 5.0 1682 1356 A 28 HIS HA A 76 VAL HG2% 1.0 1.8 5.0 1683 1357 A 28 HIS HBx A 76 VAL HG2% 1.0 1.8 6.0 1684 1358 A 28 HIS HBy A 76 VAL HG2% 1.0 1.8 5.0 1685 1359 A 28 HIS HD2 A 76 VAL HG1% 1.0 1.8 6.0 1686 1360 A 28 HIS HD2 A 76 VAL HG2% 1.0 1.8 3.5 1687 1361 A 28 HIS H A 76 VAL HG2% 1.0 1.8 5.0 1688 1362 A 29 ALA H A 76 VAL H 1.0 1.8 6.0 1689 1363 A 72 GLU HA A 76 VAL HB 1.0 1.8 5.0 1690 1364 A 72 GLU HA A 76 VAL HG2% 1.0 1.8 3.5 1691 1365 A 72 GLU HA A 76 VAL H 1.0 1.8 5.0 1692 1366 A 76 VAL HG2% A 72 GLU HBx 1.0 1.8 5.0 1693 1367 A 72 GLU HBy A 76 VAL HG2% 1.0 1.8 5.0 1694 1368 A 76 VAL HG2% A 72 GLU HGx 1.0 1.8 5.0 1695 1369 A 72 GLU HGy A 76 VAL HG2% 1.0 1.8 5.0 1696 1370 A 76 VAL HG2% A 72 GLU HGx 1.0 1.8 5.0 1697 1370 A 72 GLU HGy A 76 VAL HG2% 1.0 1.8 5.0 1698 1371 A 72 GLU H A 76 VAL HG2% 1.0 1.8 5.0 1699 1372 A 73 GLN H A 76 VAL HG2% 1.0 1.8 5.0 1700 1373 A 74 TYR HA A 76 VAL H 1.0 1.8 5.0 1701 1374 A 75 PHE H A 76 VAL HG2% 1.0 1.8 5.0 1702 1375 A 75 PHE H A 76 VAL H 1.0 1.8 3.5 1703 1376 A 76 VAL HG1% A 76 VAL HA 1.0 1.8 3.5 1704 1377 A 76 VAL HG2% A 76 VAL HA 1.0 1.8 3.5 1705 1378 A 76 VAL H A 76 VAL HB 1.0 1.8 3.5 1706 1379 A 76 VAL HG1% A 76 VAL H 1.0 1.8 5.0 1707 1380 A 76 VAL HG2% A 76 VAL H 1.0 1.8 3.5 1708 1381 A 23 ILE HA A 77 LEU HD1% 1.0 1.8 5.0 1709 1382 A 23 ILE HG2% A 77 LEU HD1% 1.0 1.8 3.5 1710 1383 A 23 ILE HG2% A 77 LEU HG 1.0 1.8 5.0 1711 1384 A 24 THR H A 77 LEU HD1% 1.0 1.8 5.0 1712 1385 A 25 PRO HA A 77 LEU HBx 1.0 1.8 5.0 1713 1386 A 25 PRO HA A 77 LEU HBy 1.0 1.8 5.0 1714 1387 A 25 PRO HA A 77 LEU HD1% 1.0 1.8 5.0 1715 1388 A 27 SER HA A 77 LEU HD1% 1.0 1.8 5.0 1716 1389 A 27 SER HA A 77 LEU HD2% 1.0 1.8 6.0 1717 1390 A 27 SER HBx A 77 LEU HD1% 1.0 1.8 5.0 1718 1391 A 27 SER HBx A 77 LEU HG 1.0 1.8 6.0 1719 1392 A 77 LEU HD1% A 27 SER HBy 1.0 1.8 5.0 1720 1393 A 77 LEU HG A 27 SER HBy 1.0 1.8 6.0 1721 1394 A 77 LEU HD1% A 27 SER HBy 1.0 1.8 3.5 1722 1394 A 27 SER HBx A 77 LEU HD1% 1.0 1.8 3.5 1723 1395 A 77 LEU HD2% A 27 SER HBy 1.0 1.8 5.0 1724 1395 A 27 SER HBx A 77 LEU HD2% 1.0 1.8 5.0 1725 1396 A 77 LEU HG A 27 SER HBy 1.0 1.8 5.0 1726 1396 A 27 SER HBx A 77 LEU HG 1.0 1.8 5.0 1727 1397 A 27 SER H A 77 LEU HBx 1.0 1.8 6.0 1728 1398 A 27 SER H A 77 LEU HBy 1.0 1.8 5.0 1729 1399 A 27 SER H A 77 LEU HD1% 1.0 1.8 5.0 1730 1400 A 27 SER H A 77 LEU HD2% 1.0 1.8 6.0 1731 1401 A 27 SER H A 77 LEU HG 1.0 1.8 5.0 1732 1402 A 27 SER H A 77 LEU H 1.0 1.8 5.0 1733 1403 A 29 ALA HA A 77 LEU HD2% 1.0 1.8 5.0 1734 1404 A 29 ALA HB% A 77 LEU HD2% 1.0 1.8 5.0 1735 1405 A 29 ALA H A 77 LEU HD2% 1.0 1.8 5.0 1736 1406 A 29 ALA H A 77 LEU HG 1.0 1.8 6.0 1737 1407 A 29 ALA H A 77 LEU H 1.0 1.8 5.0 1738 1408 A 40 PHE HE% A 77 LEU HD2% 1.0 1.8 6.0 1739 1409 A 5 PHE HD% A 77 LEU HA 1.0 1.8 6.0 1740 1410 A 5 PHE HD% A 77 LEU HBx 1.0 1.8 5.0 1741 1411 A 5 PHE HD% A 77 LEU HBy 1.0 1.8 5.0 1742 1412 A 5 PHE HD% A 77 LEU HD1% 1.0 1.8 5.0 1743 1413 A 5 PHE HD% A 77 LEU HD2% 1.0 1.8 6.0 1744 1414 A 5 PHE HE% A 77 LEU HA 1.0 1.8 6.0 1745 1415 A 5 PHE HE% A 77 LEU HBx 1.0 1.8 5.0 1746 1416 A 5 PHE HE% A 77 LEU HBy 1.0 1.8 5.0 1747 1417 A 5 PHE HE% A 77 LEU HD1% 1.0 1.8 5.0 1748 1418 A 5 PHE HE% A 77 LEU HG 1.0 1.8 5.0 1749 1419 A 76 VAL HA A 77 LEU HD2% 1.0 1.8 5.0 1750 1420 A 76 VAL HA A 77 LEU HG 1.0 1.8 5.0 1751 1421 A 76 VAL HA A 77 LEU H 1.0 1.8 3.5 1752 1422 A 76 VAL HG1% A 77 LEU H 1.0 1.8 5.0 1753 1423 A 76 VAL H A 77 LEU H 1.0 1.8 5.0 1754 1424 A 77 LEU HD1% A 77 LEU HA 1.0 1.8 5.0 1755 1425 A 77 LEU HD2% A 77 LEU HA 1.0 1.8 3.5 1756 1426 A 77 LEU HD1% A 77 LEU HBx 1.0 1.8 3.5 1757 1427 A 77 LEU HBx A 77 LEU HD2% 1.0 1.8 5.0 1758 1428 A 77 LEU HD1% A 77 LEU HBy 1.0 1.8 5.0 1759 1429 A 77 LEU HBy A 77 LEU HD2% 1.0 1.8 5.0 1760 1430 A 77 LEU HBy A 77 LEU H 1.0 1.8 5.0 1761 1431 A 77 LEU HD1% A 77 LEU H 1.0 1.8 5.0 1762 1432 A 77 LEU HD2% A 77 LEU H 1.0 1.8 5.0 1763 1433 A 77 LEU HG A 77 LEU H 1.0 1.8 5.0 1764 1434 A 25 PRO HA A 78 LYS HA 1.0 1.8 6.0 1765 1435 A 25 PRO HA A 78 LYS HBy 1.0 1.8 5.0 1766 1435 A 25 PRO HA A 78 LYS HBx 1.0 1.8 5.0 1767 1436 A 25 PRO HA A 78 LYS H 1.0 1.8 5.0 1768 1437 A 25 PRO HBy A 78 LYS HA 1.0 1.8 6.0 1769 1438 A 25 PRO HBy A 78 LYS HDx 1.0 1.8 5.0 1770 1438 A 25 PRO HBy A 78 LYS HDy 1.0 1.8 5.0 1771 1439 A 25 PRO HBy A 78 LYS H 1.0 1.8 5.0 1772 1440 A 26 GLU HA A 78 LYS HDx 1.0 1.8 6.0 1773 1441 A 26 GLU HA A 78 LYS HDy 1.0 1.8 6.0 1774 1442 A 26 GLU HA A 78 LYS HEy 1.0 1.8 5.0 1775 1443 A 26 GLU HA A 78 LYS HEx 1.0 1.8 5.0 1776 1444 A 26 GLU HA A 78 LYS HEy 1.0 1.8 5.0 1777 1444 A 26 GLU HA A 78 LYS HEx 1.0 1.8 5.0 1778 1445 A 26 GLU HA A 78 LYS H 1.0 1.8 5.0 1779 1446 A 5 PHE HD% A 78 LYS HA 1.0 1.8 5.0 1780 1447 A 76 VAL HB A 78 LYS HEy 1.0 1.8 6.0 1781 1447 A 76 VAL HB A 78 LYS HEx 1.0 1.8 6.0 1782 1448 A 76 VAL HB A 78 LYS H 1.0 1.8 6.0 1783 1449 A 76 VAL HG1% A 78 LYS HEy 1.0 1.8 5.0 1784 1450 A 76 VAL HG1% A 78 LYS HEx 1.0 1.8 5.0 1785 1451 A 76 VAL HG1% A 78 LYS HEy 1.0 1.8 3.5 1786 1451 A 76 VAL HG1% A 78 LYS HEx 1.0 1.8 3.5 1787 1452 A 76 VAL HG1% A 78 LYS H 1.0 1.8 3.5 1788 1453 A 76 VAL HG2% A 78 LYS HEy 1.0 1.8 5.0 1789 1453 A 76 VAL HG2% A 78 LYS HEx 1.0 1.8 5.0 1790 1454 A 77 LEU HBx A 78 LYS H 1.0 1.8 5.0 1791 1455 A 77 LEU HBy A 78 LYS H 1.0 1.8 5.0 1792 1456 A 77 LEU HG A 78 LYS H 1.0 1.8 6.0 1793 1457 A 77 LEU H A 78 LYS H 1.0 1.8 5.0 1794 1458 A 78 LYS HBy A 78 LYS HDx 1.0 1.8 3.5 1795 1458 A 78 LYS HDy A 78 LYS HBy 1.0 1.8 3.5 1796 1458 A 78 LYS HBx A 78 LYS HDy 1.0 1.8 3.5 1797 1458 A 78 LYS HBx A 78 LYS HDx 1.0 1.8 3.5 1798 1459 A 78 LYS HBy A 78 LYS HEy 1.0 1.8 5.0 1799 1459 A 78 LYS HBx A 78 LYS HEy 1.0 1.8 5.0 1800 1459 A 78 LYS HEx A 78 LYS HBy 1.0 1.8 5.0 1801 1459 A 78 LYS HBx A 78 LYS HEx 1.0 1.8 5.0 1802 1460 A 78 LYS HEy A 78 LYS HGy 1.0 1.8 3.5 1803 1460 A 78 LYS HEx A 78 LYS HGy 1.0 1.8 3.5 1804 1460 A 78 LYS HGx A 78 LYS HEy 1.0 1.8 3.5 1805 1460 A 78 LYS HEx A 78 LYS HGx 1.0 1.8 3.5 1806 1461 A 78 LYS H A 78 LYS HBy 1.0 1.8 3.5 1807 1461 A 78 LYS HBx A 78 LYS H 1.0 1.8 3.5 1808 1462 A 78 LYS H A 78 LYS HDx 1.0 1.8 5.0 1809 1462 A 78 LYS H A 78 LYS HDy 1.0 1.8 5.0 1810 1463 A 78 LYS H A 78 LYS HEy 1.0 1.8 6.0 1811 1464 A 78 LYS H A 78 LYS HEx 1.0 1.8 6.0 1812 1465 A 78 LYS H A 78 LYS HGy 1.0 1.8 3.5 1813 1465 A 78 LYS H A 78 LYS HGx 1.0 1.8 3.5 1814 1466 A 73 GLN HA A 79 ASN HBx 1.0 1.8 5.0 1815 1466 A 73 GLN HA A 79 ASN HBy 1.0 1.8 5.0 1816 1467 A 73 GLN HA A 79 ASN HD21 1.0 1.8 5.0 1817 1468 A 73 GLN HA A 79 ASN HD22 1.0 1.8 5.0 1818 1469 A 73 GLN HA A 79 ASN HD21 1.0 1.8 5.0 1819 1469 A 73 GLN HA A 79 ASN HD22 1.0 1.8 5.0 1820 1470 A 76 VAL HB A 79 ASN HBx 1.0 1.8 5.0 1821 1471 A 76 VAL HB A 79 ASN HBy 1.0 1.8 5.0 1822 1472 A 76 VAL HB A 79 ASN HD21 1.0 1.8 5.0 1823 1473 A 76 VAL HB A 79 ASN HD22 1.0 1.8 5.0 1824 1474 A 76 VAL HB A 79 ASN HD21 1.0 1.8 5.0 1825 1474 A 76 VAL HB A 79 ASN HD22 1.0 1.8 5.0 1826 1475 A 76 VAL HB A 79 ASN H 1.0 1.8 5.0 1827 1476 A 76 VAL HG1% A 79 ASN HD21 1.0 1.8 5.0 1828 1476 A 76 VAL HG1% A 79 ASN HD22 1.0 1.8 5.0 1829 1477 A 76 VAL HG1% A 79 ASN H 1.0 1.8 3.5 1830 1478 A 76 VAL HG2% A 79 ASN HD21 1.0 1.8 5.0 1831 1478 A 76 VAL HG2% A 79 ASN HD22 1.0 1.8 5.0 1832 1479 A 76 VAL H A 79 ASN HBx 1.0 1.8 5.0 1833 1479 A 76 VAL H A 79 ASN HBy 1.0 1.8 5.0 1834 1480 A 77 LEU HA A 79 ASN H 1.0 1.8 5.0 1835 1481 A 79 ASN H A 78 LYS HBy 1.0 1.8 5.0 1836 1481 A 78 LYS HBx A 79 ASN H 1.0 1.8 5.0 1837 1482 A 79 ASN HD21 A 78 LYS HEy 1.0 1.8 5.0 1838 1482 A 78 LYS HEx A 79 ASN HD21 1.0 1.8 5.0 1839 1482 A 79 ASN HD22 A 78 LYS HEy 1.0 1.8 5.0 1840 1482 A 78 LYS HEx A 79 ASN HD22 1.0 1.8 5.0 1841 1483 A 79 ASN H A 78 LYS HGy 1.0 1.8 5.0 1842 1483 A 78 LYS HGx A 79 ASN H 1.0 1.8 5.0 1843 1484 A 78 LYS H A 79 ASN H 1.0 1.8 5.0 1844 1485 A 79 ASN H A 79 ASN HBx 1.0 1.8 3.5 1845 1485 A 79 ASN HBy A 79 ASN H 1.0 1.8 3.5 1846 1486 A 4 THR HB A 8 VAL HB 1.0 1.8 6.0 1847 1487 A 4 THR HB A 8 VAL HG2% 1.0 1.8 5.0 1848 1488 A 4 THR HG2% A 8 VAL H 1.0 1.8 5.0 1849 1489 A 5 PHE HA A 8 VAL HB 1.0 1.8 5.0 1850 1490 A 8 VAL HG1% A 5 PHE HA 1.0 1.8 5.0 1851 1491 A 5 PHE HA A 8 VAL HG2% 1.0 1.8 5.0 1852 1492 A 5 PHE HA A 8 VAL H 1.0 1.8 5.0 1853 1493 A 5 PHE H A 8 VAL HB 1.0 1.8 6.0 1854 1494 A 5 PHE H A 8 VAL HG2% 1.0 1.8 6.0 1855 1495 A 7 ARG HBx A 8 VAL H 1.0 1.8 5.0 1856 1496 A 7 ARG HBy A 8 VAL H 1.0 1.8 5.0 1857 1497 A 8 VAL HG2% A 7 ARG H 1.0 1.8 5.0 1858 1498 A 8 VAL H A 7 ARG H 1.0 1.8 3.5 1859 1499 A 8 VAL HA A 8 VAL HG1% 1.0 1.8 3.5 1860 1500 A 8 VAL HA A 8 VAL HG2% 1.0 1.8 3.5 1861 1501 A 8 VAL HB A 8 VAL H 1.0 1.8 3.5 1862 1502 A 8 VAL HG1% A 8 VAL H 1.0 1.8 5.0 1863 1503 A 8 VAL HG2% A 8 VAL H 1.0 1.8 3.5 1864 1504 A 40 PHE HE% A 80 LEU HD1% 1.0 1.8 5.0 1865 1505 A 40 PHE HE% A 80 LEU HD2% 1.0 1.8 5.0 1866 1506 A 40 PHE HZ A 80 LEU HD1% 1.0 1.8 5.0 1867 1507 A 40 PHE HZ A 80 LEU HD2% 1.0 1.8 5.0 1868 1508 A 43 ILE HG2% A 80 LEU HD1% 1.0 1.8 6.0 1869 1509 A 47 ILE HD1% A 80 LEU HD1% 1.0 1.8 5.0 1870 1510 A 47 ILE HD1% A 80 LEU HD2% 1.0 1.8 3.5 1871 1511 A 55 LEU HD1% A 80 LEU HD1% 1.0 1.8 5.0 1872 1512 A 55 LEU HD2% A 80 LEU HA 1.0 1.8 6.0 1873 1513 A 55 LEU HD2% A 80 LEU HD1% 1.0 1.8 5.0 1874 1514 A 60 TRP HH2 A 80 LEU HD1% 1.0 1.8 5.0 1875 1515 A 60 TRP HZ3 A 80 LEU HD1% 1.0 1.8 5.0 1876 1516 A 75 PHE HA A 80 LEU HBy 1.0 1.8 6.0 1877 1517 A 75 PHE HA A 80 LEU HD1% 1.0 1.8 6.0 1878 1518 A 75 PHE HA A 80 LEU HD2% 1.0 1.8 6.0 1879 1519 A 76 VAL HG1% A 80 LEU H 1.0 1.8 5.0 1880 1520 A 76 VAL H A 80 LEU H 1.0 1.8 6.0 1881 1521 A 77 LEU HA A 80 LEU HBx 1.0 1.8 5.0 1882 1522 A 77 LEU HA A 80 LEU HD2% 1.0 1.8 5.0 1883 1523 A 77 LEU HA A 80 LEU H 1.0 1.8 5.0 1884 1524 A 77 LEU HD2% A 80 LEU HBx 1.0 1.8 5.0 1885 1525 A 80 LEU H A 79 ASN HBx 1.0 1.8 5.0 1886 1526 A 79 ASN HBy A 80 LEU H 1.0 1.8 5.0 1887 1527 A 80 LEU H A 79 ASN HBx 1.0 1.8 5.0 1888 1527 A 79 ASN HBy A 80 LEU H 1.0 1.8 5.0 1889 1528 A 79 ASN H A 80 LEU HBx 1.0 1.8 6.0 1890 1529 A 79 ASN H A 80 LEU HBy 1.0 1.8 6.0 1891 1530 A 79 ASN H A 80 LEU H 1.0 1.8 3.5 1892 1531 A 80 LEU HD1% A 80 LEU HA 1.0 1.8 3.5 1893 1532 A 80 LEU HD2% A 80 LEU HA 1.0 1.8 5.0 1894 1533 A 80 LEU HA A 80 LEU HG 1.0 1.8 5.0 1895 1534 A 80 LEU HD2% A 80 LEU HBx 1.0 1.8 5.0 1896 1535 A 80 LEU HD1% A 80 LEU HBy 1.0 1.8 5.0 1897 1536 A 80 LEU HD2% A 80 LEU HBy 1.0 1.8 3.5 1898 1537 A 80 LEU H A 80 LEU HBx 1.0 1.8 5.0 1899 1538 A 80 LEU HBy A 80 LEU H 1.0 1.8 5.0 1900 1539 A 80 LEU HD1% A 80 LEU H 1.0 1.8 5.0 1901 1540 A 80 LEU HD2% A 80 LEU H 1.0 1.8 5.0 1902 1541 A 80 LEU H A 80 LEU HG 1.0 1.8 6.0 1903 1542 A 8 VAL HG1% A 80 LEU HD2% 1.0 1.8 3.5 1904 1543 A 8 VAL HG1% A 80 LEU HG 1.0 1.8 5.0 1905 1544 A 4 THR HA A 81 ALA HB% 1.0 1.8 5.0 1906 1545 A 4 THR HB A 81 ALA HB% 1.0 1.8 5.0 1907 1546 A 4 THR HG2% A 81 ALA HA 1.0 1.8 3.5 1908 1547 A 4 THR HG2% A 81 ALA HB% 1.0 1.8 3.5 1909 1548 A 4 THR H A 81 ALA HB% 1.0 1.8 6.0 1910 1549 A 5 PHE HA A 81 ALA HB% 1.0 1.8 3.5 1911 1550 A 81 ALA HB% A 5 PHE HBx 1.0 1.8 5.0 1912 1551 A 5 PHE HBy A 81 ALA HB% 1.0 1.8 5.0 1913 1552 A 81 ALA HB% A 5 PHE HBx 1.0 1.8 3.5 1914 1552 A 5 PHE HBy A 81 ALA HB% 1.0 1.8 3.5 1915 1553 A 5 PHE HD% A 81 ALA HB% 1.0 1.8 5.0 1916 1554 A 5 PHE H A 81 ALA HB% 1.0 1.8 5.0 1917 1555 A 6 ASP H A 81 ALA HB% 1.0 1.8 6.0 1918 1556 A 77 LEU HD2% A 81 ALA H 1.0 1.8 6.0 1919 1557 A 78 LYS HA A 81 ALA HB% 1.0 1.8 3.5 1920 1558 A 78 LYS HA A 81 ALA H 1.0 1.8 5.0 1921 1559 A 79 ASN H A 81 ALA H 1.0 1.8 5.0 1922 1560 A 80 LEU HBx A 81 ALA HB% 1.0 1.8 5.0 1923 1561 A 80 LEU HBx A 81 ALA H 1.0 1.8 3.5 1924 1562 A 80 LEU HD1% A 81 ALA H 1.0 1.8 5.0 1925 1563 A 80 LEU HD2% A 81 ALA H 1.0 1.8 5.0 1926 1564 A 80 LEU HG A 81 ALA H 1.0 1.8 6.0 1927 1565 A 80 LEU H A 81 ALA HB% 1.0 1.8 6.0 1928 1566 A 80 LEU H A 81 ALA H 1.0 1.8 3.5 1929 1567 A 81 ALA HB% A 81 ALA H 1.0 1.8 3.5 1930 1568 A 8 VAL HG1% A 81 ALA HA 1.0 1.8 6.0 1931 1569 A 8 VAL HG1% A 81 ALA HB% 1.0 1.8 5.0 1932 1570 A 8 VAL HG2% A 81 ALA HA 1.0 1.8 5.0 1933 1571 A 8 VAL HG2% A 81 ALA HB% 1.0 1.8 3.5 1934 1572 A 8 VAL HG2% A 81 ALA H 1.0 1.8 5.0 1935 1573 A 79 ASN HA A 82 ALA HB% 1.0 1.8 3.5 1936 1574 A 79 ASN HA A 82 ALA H 1.0 1.8 5.0 1937 1575 A 80 LEU H A 82 ALA HB% 1.0 1.8 6.0 1938 1576 A 81 ALA HB% A 82 ALA H 1.0 1.8 3.5 1939 1577 A 81 ALA H A 82 ALA HB% 1.0 1.8 5.0 1940 1578 A 81 ALA H A 82 ALA H 1.0 1.8 3.5 1941 1579 A 82 ALA HB% A 82 ALA H 1.0 1.8 3.5 1942 1580 A 60 TRP HE1 A 83 ARG HDx 1.0 1.8 6.0 1943 1580 A 60 TRP HE1 A 83 ARG HDy 1.0 1.8 6.0 1944 1581 A 60 TRP HH2 A 83 ARG HBx 1.0 1.8 5.0 1945 1582 A 60 TRP HH2 A 83 ARG HBy 1.0 1.8 5.0 1946 1583 A 60 TRP HH2 A 83 ARG HDx 1.0 1.8 6.0 1947 1583 A 60 TRP HH2 A 83 ARG HDy 1.0 1.8 6.0 1948 1584 A 60 TRP HZ2 A 83 ARG HBx 1.0 1.8 5.0 1949 1585 A 60 TRP HZ2 A 83 ARG HBy 1.0 1.8 5.0 1950 1586 A 60 TRP HZ2 A 83 ARG HGy 1.0 1.8 5.0 1951 1586 A 60 TRP HZ2 A 83 ARG HGx 1.0 1.8 5.0 1952 1587 A 74 TYR HA A 83 ARG HGy 1.0 1.8 6.0 1953 1588 A 74 TYR HA A 83 ARG HGx 1.0 1.8 6.0 1954 1589 A 74 TYR HA A 83 ARG HGy 1.0 1.8 5.0 1955 1589 A 74 TYR HA A 83 ARG HGx 1.0 1.8 5.0 1956 1590 A 74 TYR HD% A 83 ARG HDx 1.0 1.8 5.0 1957 1591 A 74 TYR HD% A 83 ARG HDy 1.0 1.8 5.0 1958 1592 A 74 TYR HD% A 83 ARG HDx 1.0 1.8 5.0 1959 1592 A 74 TYR HD% A 83 ARG HDy 1.0 1.8 5.0 1960 1593 A 74 TYR HD% A 83 ARG HGy 1.0 1.8 5.0 1961 1594 A 74 TYR HD% A 83 ARG HGx 1.0 1.8 5.0 1962 1595 A 74 TYR HD% A 83 ARG HGy 1.0 1.8 3.5 1963 1595 A 74 TYR HD% A 83 ARG HGx 1.0 1.8 3.5 1964 1596 A 74 TYR HE% A 83 ARG HDx 1.0 1.8 5.0 1965 1597 A 74 TYR HE% A 83 ARG HDy 1.0 1.8 5.0 1966 1598 A 74 TYR HE% A 83 ARG HDx 1.0 1.8 5.0 1967 1598 A 74 TYR HE% A 83 ARG HDy 1.0 1.8 5.0 1968 1599 A 74 TYR HE% A 83 ARG HGy 1.0 1.8 5.0 1969 1599 A 74 TYR HE% A 83 ARG HGx 1.0 1.8 5.0 1970 1600 A 80 LEU HA A 83 ARG HBy 1.0 1.8 5.0 1971 1601 A 80 LEU HA A 83 ARG HGy 1.0 1.8 6.0 1972 1602 A 80 LEU HA A 83 ARG HGx 1.0 1.8 6.0 1973 1603 A 80 LEU HA A 83 ARG H 1.0 1.8 5.0 1974 1604 A 80 LEU HD1% A 83 ARG HBy 1.0 1.8 5.0 1975 1605 A 82 ALA HB% A 83 ARG HA 1.0 1.8 5.0 1976 1606 A 82 ALA HB% A 83 ARG H 1.0 1.8 5.0 1977 1607 A 82 ALA H A 83 ARG HBy 1.0 1.8 6.0 1978 1608 A 82 ALA H A 83 ARG H 1.0 1.8 3.5 1979 1609 A 83 ARG HA A 83 ARG HDx 1.0 1.8 5.0 1980 1609 A 83 ARG HDy A 83 ARG HA 1.0 1.8 5.0 1981 1610 A 83 ARG HA A 83 ARG HE 1.0 1.8 5.0 1982 1611 A 83 ARG HBy A 83 ARG H 1.0 1.8 5.0 1983 1612 A 83 ARG H A 83 ARG HGy 1.0 1.8 5.0 1984 1613 A 83 ARG HGx A 83 ARG H 1.0 1.8 5.0 1985 1614 A 83 ARG H A 83 ARG HGy 1.0 1.8 3.5 1986 1614 A 83 ARG HGx A 83 ARG H 1.0 1.8 3.5 1987 1615 A 11 ILE HD1% A 84 ILE HG2% 1.0 1.8 6.0 1988 1616 A 47 ILE HD1% A 84 ILE HD1% 1.0 1.8 3.5 1989 1617 A 47 ILE HG2% A 84 ILE HD1% 1.0 1.8 3.5 1990 1618 A 47 ILE HG2% A 84 ILE HG1x 1.0 1.8 5.0 1991 1619 A 47 ILE HG2% A 84 ILE HG1y 1.0 1.8 5.0 1992 1620 A 47 ILE HG2% A 84 ILE HG2% 1.0 1.8 5.0 1993 1621 A 4 THR HB A 84 ILE HD1% 1.0 1.8 6.0 1994 1622 A 4 THR HG2% A 84 ILE HB 1.0 1.8 3.5 1995 1623 A 4 THR HG2% A 84 ILE HD1% 1.0 1.8 5.0 1996 1624 A 4 THR HG2% A 84 ILE HG2% 1.0 1.8 3.5 1997 1625 A 4 THR HG2% A 84 ILE H 1.0 1.8 5.0 1998 1626 A 84 ILE HG2% A 51 PHE HBx 1.0 1.8 6.0 1999 1627 A 51 PHE HBy A 84 ILE HG2% 1.0 1.8 6.0 2000 1628 A 84 ILE HG2% A 51 PHE HBx 1.0 1.8 5.0 2001 1628 A 51 PHE HBy A 84 ILE HG2% 1.0 1.8 5.0 2002 1629 A 51 PHE HD% A 84 ILE HD1% 1.0 1.8 5.0 2003 1630 A 51 PHE HD% A 84 ILE HG2% 1.0 1.8 5.0 2004 1631 A 51 PHE HE% A 84 ILE HD1% 1.0 1.8 5.0 2005 1632 A 51 PHE HE% A 84 ILE HG2% 1.0 1.8 5.0 2006 1633 A 53 ILE HD1% A 84 ILE HA 1.0 1.8 5.0 2007 1634 A 53 ILE HD1% A 84 ILE HG1x 1.0 1.8 5.0 2008 1634 A 53 ILE HD1% A 84 ILE HG1y 1.0 1.8 5.0 2009 1635 A 53 ILE HD1% A 84 ILE HG2% 1.0 1.8 3.5 2010 1636 A 53 ILE HD1% A 84 ILE H 1.0 1.8 6.0 2011 1637 A 53 ILE HG1y A 84 ILE HA 1.0 1.8 5.0 2012 1638 A 53 ILE HG1y A 84 ILE HG2% 1.0 1.8 5.0 2013 1639 A 53 ILE HG2% A 84 ILE HG2% 1.0 1.8 5.0 2014 1640 A 55 LEU HD1% A 84 ILE HA 1.0 1.8 6.0 2015 1641 A 55 LEU HD1% A 84 ILE HD1% 1.0 1.8 5.0 2016 1642 A 55 LEU HD1% A 84 ILE HG1x 1.0 1.8 5.0 2017 1642 A 55 LEU HD1% A 84 ILE HG1y 1.0 1.8 5.0 2018 1643 A 55 LEU HD2% A 84 ILE HA 1.0 1.8 5.0 2019 1644 A 55 LEU HD2% A 84 ILE HD1% 1.0 1.8 5.0 2020 1645 A 55 LEU HD2% A 84 ILE HG1x 1.0 1.8 5.0 2021 1646 A 55 LEU HD2% A 84 ILE HG1y 1.0 1.8 5.0 2022 1647 A 55 LEU HD2% A 84 ILE HG1x 1.0 1.8 5.0 2023 1647 A 55 LEU HD2% A 84 ILE HG1y 1.0 1.8 5.0 2024 1648 A 55 LEU HD2% A 84 ILE HG2% 1.0 1.8 5.0 2025 1649 A 55 LEU HD2% A 84 ILE H 1.0 1.8 5.0 2026 1650 A 80 LEU HA A 84 ILE HD1% 1.0 1.8 6.0 2027 1651 A 80 LEU HA A 84 ILE HG1x 1.0 1.8 6.0 2028 1651 A 80 LEU HA A 84 ILE HG1y 1.0 1.8 6.0 2029 1652 A 80 LEU HA A 84 ILE H 1.0 1.8 5.0 2030 1653 A 80 LEU HD1% A 84 ILE HD1% 1.0 1.8 5.0 2031 1654 A 80 LEU HD1% A 84 ILE H 1.0 1.8 5.0 2032 1655 A 80 LEU HD2% A 84 ILE HD1% 1.0 1.8 5.0 2033 1656 A 80 LEU HG A 84 ILE HD1% 1.0 1.8 3.5 2034 1657 A 81 ALA HA A 84 ILE HB 1.0 1.8 5.0 2035 1658 A 81 ALA HA A 84 ILE HD1% 1.0 1.8 3.5 2036 1659 A 81 ALA HA A 84 ILE HG2% 1.0 1.8 5.0 2037 1660 A 81 ALA HA A 84 ILE H 1.0 1.8 5.0 2038 1661 A 81 ALA HB% A 84 ILE HD1% 1.0 1.8 5.0 2039 1662 A 81 ALA HB% A 84 ILE H 1.0 1.8 6.0 2040 1663 A 81 ALA H A 84 ILE HD1% 1.0 1.8 5.0 2041 1664 A 82 ALA HB% A 84 ILE H 1.0 1.8 6.0 2042 1665 A 82 ALA H A 84 ILE H 1.0 1.8 5.0 2043 1666 A 83 ARG HBx A 84 ILE H 1.0 1.8 5.0 2044 1667 A 83 ARG HBy A 84 ILE H 1.0 1.8 5.0 2045 1668 A 84 ILE H A 83 ARG HGy 1.0 1.8 6.0 2046 1668 A 83 ARG HGx A 84 ILE H 1.0 1.8 6.0 2047 1669 A 83 ARG H A 84 ILE H 1.0 1.8 3.5 2048 1670 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 5.0 2049 1671 A 84 ILE HA A 84 ILE HG1x 1.0 1.8 3.5 2050 1671 A 84 ILE HA A 84 ILE HG1y 1.0 1.8 3.5 2051 1672 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 3.5 2052 1673 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 3.5 2053 1674 A 84 ILE HG2% A 84 ILE HD1% 1.0 1.8 3.5 2054 1675 A 84 ILE HG2% A 84 ILE HG1x 1.0 1.8 5.0 2055 1676 A 84 ILE HG2% A 84 ILE HG1y 1.0 1.8 5.0 2056 1677 A 84 ILE HB A 84 ILE H 1.0 1.8 3.5 2057 1678 A 84 ILE HD1% A 84 ILE H 1.0 1.8 5.0 2058 1679 A 84 ILE H A 84 ILE HG1x 1.0 1.8 5.0 2059 1680 A 84 ILE H A 84 ILE HG1y 1.0 1.8 5.0 2060 1681 A 84 ILE H A 84 ILE HG1x 1.0 1.8 3.5 2061 1681 A 84 ILE H A 84 ILE HG1y 1.0 1.8 3.5 2062 1682 A 84 ILE HG2% A 84 ILE H 1.0 1.8 5.0 2063 1683 A 8 VAL HB A 84 ILE HD1% 1.0 1.8 5.0 2064 1684 A 8 VAL HG1% A 84 ILE HD1% 1.0 1.8 5.0 2065 1685 A 8 VAL HG2% A 84 ILE HD1% 1.0 1.8 3.5 2066 1686 A 8 VAL HG2% A 84 ILE HG2% 1.0 1.8 5.0 2067 1687 A 4 THR HG2% A 85 ASP HBx 1.0 1.8 6.0 2068 1688 A 4 THR HG2% A 85 ASP HBy 1.0 1.8 6.0 2069 1689 A 4 THR HG2% A 85 ASP HBx 1.0 1.8 5.0 2070 1689 A 4 THR HG2% A 85 ASP HBy 1.0 1.8 5.0 2071 1690 A 4 THR HG2% A 85 ASP H 1.0 1.8 5.0 2072 1691 A 53 ILE HD1% A 85 ASP H 1.0 1.8 6.0 2073 1692 A 81 ALA HA A 85 ASP H 1.0 1.8 5.0 2074 1693 A 81 ALA HB% A 85 ASP H 1.0 1.8 6.0 2075 1694 A 82 ALA HA A 85 ASP HBx 1.0 1.8 5.0 2076 1695 A 85 ASP HBy A 82 ALA HA 1.0 1.8 5.0 2077 1696 A 82 ALA HA A 85 ASP HBx 1.0 1.8 3.5 2078 1696 A 85 ASP HBy A 82 ALA HA 1.0 1.8 3.5 2079 1697 A 85 ASP H A 82 ALA HA 1.0 1.8 5.0 2080 1698 A 82 ALA HB% A 85 ASP H 1.0 1.8 5.0 2081 1699 A 83 ARG H A 85 ASP H 1.0 1.8 5.0 2082 1700 A 84 ILE HB A 85 ASP H 1.0 1.8 3.5 2083 1701 A 84 ILE HD1% A 85 ASP H 1.0 1.8 6.0 2084 1702 A 85 ASP H A 84 ILE HG1x 1.0 1.8 5.0 2085 1702 A 84 ILE HG1y A 85 ASP H 1.0 1.8 5.0 2086 1703 A 84 ILE HG2% A 85 ASP HA 1.0 1.8 5.0 2087 1704 A 84 ILE HG2% A 85 ASP H 1.0 1.8 5.0 2088 1705 A 85 ASP H A 85 ASP HBx 1.0 1.8 5.0 2089 1706 A 85 ASP HBy A 85 ASP H 1.0 1.8 5.0 2090 1707 A 85 ASP H A 85 ASP HBx 1.0 1.8 3.5 2091 1707 A 85 ASP HBy A 85 ASP H 1.0 1.8 3.5 2092 1708 A 82 ALA HB% A 86 GLU H 1.0 1.8 6.0 2093 1709 A 83 ARG HA A 86 GLU HBx 1.0 1.8 5.0 2094 1709 A 83 ARG HA A 86 GLU HBy 1.0 1.8 5.0 2095 1710 A 83 ARG HA A 86 GLU H 1.0 1.8 5.0 2096 1711 A 86 GLU H A 85 ASP HBx 1.0 1.8 5.0 2097 1711 A 85 ASP HBy A 86 GLU H 1.0 1.8 5.0 2098 1712 A 85 ASP H A 86 GLU H 1.0 1.8 3.5 2099 1713 A 86 GLU HA A 86 GLU HGx 1.0 1.8 5.0 2100 1714 A 86 GLU HA A 86 GLU HGy 1.0 1.8 5.0 2101 1715 A 86 GLU H A 86 GLU HBx 1.0 1.8 3.5 2102 1716 A 86 GLU H A 86 GLU HBy 1.0 1.8 3.5 2103 1717 A 86 GLU H A 86 GLU HBx 1.0 1.8 3.5 2104 1717 A 86 GLU H A 86 GLU HBy 1.0 1.8 3.5 2105 1718 A 86 GLU H A 86 GLU HGx 1.0 1.8 5.0 2106 1719 A 86 GLU H A 86 GLU HGy 1.0 1.8 5.0 2107 1720 A 86 GLU H A 86 GLU HGx 1.0 1.8 3.5 2108 1720 A 86 GLU H A 86 GLU HGy 1.0 1.8 3.5 2109 1721 A 53 ILE HA A 87 LEU HD1% 1.0 1.8 6.0 2110 1722 A 53 ILE HB A 87 LEU HBy 1.0 1.8 5.0 2111 1722 A 53 ILE HB A 87 LEU HBx 1.0 1.8 5.0 2112 1723 A 53 ILE HB A 87 LEU HD1% 1.0 1.8 5.0 2113 1724 A 53 ILE HB A 87 LEU HD2% 1.0 1.8 5.0 2114 1725 A 53 ILE HD1% A 87 LEU HA 1.0 1.8 6.0 2115 1726 A 53 ILE HD1% A 87 LEU HBy 1.0 1.8 3.5 2116 1726 A 53 ILE HD1% A 87 LEU HBx 1.0 1.8 3.5 2117 1727 A 53 ILE HD1% A 87 LEU HD1% 1.0 1.8 3.5 2118 1728 A 53 ILE HG2% A 87 LEU HA 1.0 1.8 6.0 2119 1729 A 53 ILE HG2% A 87 LEU HBx 1.0 1.8 5.0 2120 1730 A 53 ILE HG2% A 87 LEU HBy 1.0 1.8 5.0 2121 1731 A 54 LYS HA A 87 LEU HD1% 1.0 1.8 6.0 2122 1732 A 54 LYS H A 87 LEU HD1% 1.0 1.8 5.0 2123 1733 A 54 LYS H A 87 LEU HD2% 1.0 1.8 6.0 2124 1734 A 55 LEU HA A 87 LEU HD1% 1.0 1.8 3.5 2125 1735 A 55 LEU HD2% A 87 LEU HD1% 1.0 1.8 5.0 2126 1736 A 55 LEU HD2% A 87 LEU HG 1.0 1.8 5.0 2127 1737 A 55 LEU HD2% A 87 LEU H 1.0 1.8 5.0 2128 1738 A 87 LEU HD1% A 56 PRO HBx 1.0 1.8 6.0 2129 1738 A 56 PRO HBy A 87 LEU HD1% 1.0 1.8 6.0 2130 1739 A 87 LEU HD1% A 56 PRO HDx 1.0 1.8 5.0 2131 1739 A 56 PRO HDy A 87 LEU HD1% 1.0 1.8 5.0 2132 1740 A 87 LEU HD2% A 56 PRO HDx 1.0 1.8 5.0 2133 1740 A 56 PRO HDy A 87 LEU HD2% 1.0 1.8 5.0 2134 1741 A 60 TRP HH2 A 87 LEU HD1% 1.0 1.8 5.0 2135 1742 A 60 TRP HZ2 A 87 LEU HD1% 1.0 1.8 5.0 2136 1743 A 60 TRP HZ2 A 87 LEU HD2% 1.0 1.8 6.0 2137 1744 A 84 ILE HA A 87 LEU HBx 1.0 1.8 5.0 2138 1745 A 84 ILE HA A 87 LEU HBy 1.0 1.8 5.0 2139 1746 A 84 ILE HA A 87 LEU HBy 1.0 1.8 5.0 2140 1746 A 84 ILE HA A 87 LEU HBx 1.0 1.8 5.0 2141 1747 A 84 ILE HA A 87 LEU HD1% 1.0 1.8 5.0 2142 1748 A 84 ILE HA A 87 LEU H 1.0 1.8 5.0 2143 1749 A 84 ILE HG2% A 87 LEU HD1% 1.0 1.8 5.0 2144 1750 A 84 ILE H A 87 LEU HD1% 1.0 1.8 5.0 2145 1751 A 87 LEU H A 86 GLU HBx 1.0 1.8 5.0 2146 1752 A 86 GLU HBy A 87 LEU H 1.0 1.8 5.0 2147 1753 A 87 LEU HD1% A 87 LEU HA 1.0 1.8 5.0 2148 1754 A 87 LEU HD2% A 87 LEU HA 1.0 1.8 3.5 2149 1755 A 87 LEU HA A 87 LEU HG 1.0 1.8 5.0 2150 1756 A 87 LEU HD1% A 87 LEU HBx 1.0 1.8 5.0 2151 1757 A 87 LEU HBx A 87 LEU HD2% 1.0 1.8 5.0 2152 1758 A 87 LEU HD1% A 87 LEU HBy 1.0 1.8 5.0 2153 1759 A 87 LEU HD2% A 87 LEU HBy 1.0 1.8 5.0 2154 1760 A 87 LEU HBx A 87 LEU H 1.0 1.8 5.0 2155 1761 A 87 LEU H A 87 LEU HBy 1.0 1.8 5.0 2156 1762 A 87 LEU HD1% A 87 LEU H 1.0 1.8 5.0 2157 1763 A 87 LEU HD2% A 87 LEU H 1.0 1.8 5.0 2158 1764 A 87 LEU HG A 87 LEU H 1.0 1.8 5.0 2159 1765 A 51 PHE HA A 88 VAL HG2% 1.0 1.8 5.0 2160 1766 A 88 VAL HG2% A 51 PHE HBx 1.0 1.8 5.0 2161 1767 A 51 PHE HBy A 88 VAL HG2% 1.0 1.8 5.0 2162 1768 A 88 VAL HG2% A 51 PHE HBx 1.0 1.8 3.5 2163 1768 A 51 PHE HBy A 88 VAL HG2% 1.0 1.8 3.5 2164 1769 A 51 PHE HD% A 88 VAL HG2% 1.0 1.8 3.5 2165 1770 A 52 GLY HAx A 88 VAL HG2% 1.0 1.8 6.0 2166 1771 A 53 ILE HD1% A 88 VAL HG2% 1.0 1.8 5.0 2167 1772 A 53 ILE HD1% A 88 VAL H 1.0 1.8 6.0 2168 1773 A 53 ILE HG2% A 88 VAL HA 1.0 1.8 3.5 2169 1774 A 53 ILE HG2% A 88 VAL HG2% 1.0 1.8 3.5 2170 1775 A 53 ILE HG2% A 88 VAL H 1.0 1.8 5.0 2171 1776 A 84 ILE HA A 88 VAL HG2% 1.0 1.8 5.0 2172 1777 A 84 ILE HA A 88 VAL H 1.0 1.8 5.0 2173 1778 A 84 ILE HG2% A 88 VAL HG2% 1.0 1.8 3.5 2174 1779 A 84 ILE HG2% A 88 VAL H 1.0 1.8 5.0 2175 1780 A 85 ASP HA A 88 VAL HB 1.0 1.8 3.5 2176 1781 A 85 ASP HA A 88 VAL HG1% 1.0 1.8 5.0 2177 1782 A 85 ASP HA A 88 VAL HG2% 1.0 1.8 5.0 2178 1783 A 85 ASP HA A 88 VAL H 1.0 1.8 5.0 2179 1784 A 85 ASP H A 88 VAL H 1.0 1.8 6.0 2180 1785 A 86 GLU H A 88 VAL H 1.0 1.8 5.0 2181 1786 A 87 LEU HBx A 88 VAL H 1.0 1.8 5.0 2182 1787 A 88 VAL H A 87 LEU HBy 1.0 1.8 5.0 2183 1788 A 88 VAL HA A 87 LEU HBy 1.0 1.8 6.0 2184 1788 A 87 LEU HBx A 88 VAL HA 1.0 1.8 6.0 2185 1789 A 88 VAL H A 87 LEU HBy 1.0 1.8 5.0 2186 1789 A 87 LEU HBx A 88 VAL H 1.0 1.8 5.0 2187 1790 A 87 LEU HG A 88 VAL H 1.0 1.8 6.0 2188 1791 A 87 LEU H A 88 VAL H 1.0 1.8 3.5 2189 1792 A 88 VAL HA A 88 VAL HG1% 1.0 1.8 3.5 2190 1793 A 88 VAL HG2% A 88 VAL HA 1.0 1.8 3.5 2191 1794 A 88 VAL H A 88 VAL HB 1.0 1.8 3.5 2192 1795 A 88 VAL H A 88 VAL HG1% 1.0 1.8 5.0 2193 1796 A 88 VAL HG2% A 88 VAL H 1.0 1.8 3.5 2194 1797 A 53 ILE HG2% A 89 ALA H 1.0 1.8 6.0 2195 1798 A 85 ASP HA A 89 ALA H 1.0 1.8 5.0 2196 1799 A 86 GLU HA A 89 ALA HB% 1.0 1.8 3.5 2197 1800 A 86 GLU H A 89 ALA HB% 1.0 1.8 6.0 2198 1801 A 87 LEU H A 89 ALA HB% 1.0 1.8 6.0 2199 1802 A 88 VAL HA A 89 ALA HB% 1.0 1.8 6.0 2200 1803 A 88 VAL HB A 89 ALA HB% 1.0 1.8 6.0 2201 1804 A 88 VAL HB A 89 ALA H 1.0 1.8 3.5 2202 1805 A 88 VAL HG1% A 89 ALA HA 1.0 1.8 5.0 2203 1806 A 88 VAL HG1% A 89 ALA H 1.0 1.8 5.0 2204 1807 A 88 VAL HG2% A 89 ALA H 1.0 1.8 5.0 2205 1808 A 88 VAL H A 89 ALA HB% 1.0 1.8 5.0 2206 1809 A 88 VAL H A 89 ALA H 1.0 1.8 3.5 2207 1810 A 89 ALA H A 89 ALA HB% 1.0 1.8 2.7 2208 1811 A 9 ALA HB% A 5 PHE HA 1.0 1.8 5.0 2209 1812 A 9 ALA H A 5 PHE HA 1.0 1.8 5.0 2210 1813 A 9 ALA HB% A 5 PHE HD% 1.0 1.8 5.0 2211 1814 A 9 ALA HB% A 5 PHE HE% 1.0 1.8 5.0 2212 1815 A 9 ALA HB% A 5 PHE HZ 1.0 1.8 5.0 2213 1816 A 9 ALA HB% A 6 ASP HA 1.0 1.8 3.5 2214 1817 A 9 ALA H A 6 ASP HA 1.0 1.8 5.0 2215 1818 A 9 ALA HB% A 7 ARG H 1.0 1.8 5.0 2216 1819 A 9 ALA H A 7 ARG H 1.0 1.8 5.0 2217 1820 A 9 ALA H A 8 VAL HB 1.0 1.8 5.0 2218 1821 A 9 ALA HA A 8 VAL HG1% 1.0 1.8 5.0 2219 1822 A 9 ALA H A 8 VAL HG1% 1.0 1.8 5.0 2220 1823 A 9 ALA H A 8 VAL HG2% 1.0 1.8 5.0 2221 1824 A 9 ALA H A 8 VAL H 1.0 1.8 3.5 2222 1825 A 9 ALA HB% A 9 ALA H 1.0 1.8 2.7 2223 1826 A 86 GLU HA A 90 ALA H 1.0 1.8 5.0 2224 1827 A 87 LEU HA A 90 ALA HB% 1.0 1.8 3.5 2225 1828 A 87 LEU HA A 90 ALA H 1.0 1.8 5.0 2226 1829 A 87 LEU HD1% A 90 ALA HB% 1.0 1.8 6.0 2227 1830 A 87 LEU HD2% A 90 ALA HB% 1.0 1.8 5.0 2228 1831 A 87 LEU HD2% A 90 ALA H 1.0 1.8 5.0 2229 1832 A 87 LEU H A 90 ALA HB% 1.0 1.8 6.0 2230 1833 A 88 VAL HA A 90 ALA HB% 1.0 1.8 6.0 2231 1834 A 88 VAL HA A 90 ALA H 1.0 1.8 5.0 2232 1835 A 88 VAL H A 90 ALA H 1.0 1.8 5.0 2233 1836 A 89 ALA HB% A 90 ALA H 1.0 1.8 3.5 2234 1837 A 89 ALA H A 90 ALA H 1.0 1.8 3.5 2235 1838 A 90 ALA H A 90 ALA HB% 1.0 1.8 3.5 2236 1839 A 53 ILE HG2% A 91 LYS HBx 1.0 1.8 5.0 2237 1840 A 53 ILE HG2% A 91 LYS HBy 1.0 1.8 5.0 2238 1841 A 53 ILE HG2% A 91 LYS HBx 1.0 1.8 5.0 2239 1841 A 53 ILE HG2% A 91 LYS HBy 1.0 1.8 5.0 2240 1842 A 53 ILE HG2% A 91 LYS HEx 1.0 1.8 5.0 2241 1842 A 53 ILE HG2% A 91 LYS HEy 1.0 1.8 5.0 2242 1843 A 53 ILE HG2% A 91 LYS HGx 1.0 1.8 5.0 2243 1843 A 53 ILE HG2% A 91 LYS HGy 1.0 1.8 5.0 2244 1844 A 53 ILE HG2% A 91 LYS H 1.0 1.8 6.0 2245 1845 A 87 LEU HA A 91 LYS H 1.0 1.8 6.0 2246 1846 A 88 VAL HA A 91 LYS HBx 1.0 1.8 5.0 2247 1846 A 88 VAL HA A 91 LYS HBy 1.0 1.8 5.0 2248 1847 A 88 VAL HA A 91 LYS HDx 1.0 1.8 5.0 2249 1847 A 88 VAL HA A 91 LYS HDy 1.0 1.8 5.0 2250 1848 A 88 VAL HA A 91 LYS HGx 1.0 1.8 5.0 2251 1848 A 88 VAL HA A 91 LYS HGy 1.0 1.8 5.0 2252 1849 A 88 VAL HA A 91 LYS H 1.0 1.8 5.0 2253 1850 A 88 VAL HG1% A 91 LYS HBx 1.0 1.8 5.0 2254 1850 A 88 VAL HG1% A 91 LYS HBy 1.0 1.8 5.0 2255 1851 A 88 VAL HG1% A 91 LYS HEx 1.0 1.8 5.0 2256 1851 A 88 VAL HG1% A 91 LYS HEy 1.0 1.8 5.0 2257 1852 A 88 VAL HG1% A 91 LYS H 1.0 1.8 5.0 2258 1853 A 88 VAL HG2% A 91 LYS HEx 1.0 1.8 5.0 2259 1853 A 88 VAL HG2% A 91 LYS HEy 1.0 1.8 5.0 2260 1854 A 88 VAL HG2% A 91 LYS H 1.0 1.8 6.0 2261 1855 A 89 ALA HA A 91 LYS H 1.0 1.8 5.0 2262 1856 A 89 ALA H A 91 LYS H 1.0 1.8 5.0 2263 1857 A 90 ALA HB% A 91 LYS H 1.0 1.8 3.5 2264 1858 A 90 ALA H A 91 LYS HBx 1.0 1.8 5.0 2265 1858 A 90 ALA H A 91 LYS HBy 1.0 1.8 5.0 2266 1859 A 90 ALA H A 91 LYS H 1.0 1.8 3.5 2267 1860 A 91 LYS HA A 91 LYS HDx 1.0 1.8 5.0 2268 1860 A 91 LYS HDy A 91 LYS HA 1.0 1.8 5.0 2269 1861 A 91 LYS HA A 91 LYS HEx 1.0 1.8 6.0 2270 1861 A 91 LYS HEy A 91 LYS HA 1.0 1.8 6.0 2271 1862 A 91 LYS HA A 91 LYS HGx 1.0 1.8 5.0 2272 1863 A 91 LYS HGy A 91 LYS HA 1.0 1.8 5.0 2273 1864 A 91 LYS HA A 91 LYS HGx 1.0 1.8 3.5 2274 1864 A 91 LYS HGy A 91 LYS HA 1.0 1.8 3.5 2275 1865 A 91 LYS HDy A 91 LYS HBx 1.0 1.8 5.0 2276 1865 A 91 LYS HBx A 91 LYS HDx 1.0 1.8 5.0 2277 1866 A 91 LYS HEy A 91 LYS HBx 1.0 1.8 5.0 2278 1866 A 91 LYS HBx A 91 LYS HEx 1.0 1.8 5.0 2279 1867 A 91 LYS HBy A 91 LYS HDy 1.0 1.8 5.0 2280 1867 A 91 LYS HBy A 91 LYS HDx 1.0 1.8 5.0 2281 1868 A 91 LYS HBy A 91 LYS HEy 1.0 1.8 5.0 2282 1868 A 91 LYS HBy A 91 LYS HEx 1.0 1.8 5.0 2283 1869 A 91 LYS HBy A 91 LYS HDx 1.0 1.8 3.5 2284 1869 A 91 LYS HBx A 91 LYS HDx 1.0 1.8 3.5 2285 1869 A 91 LYS HDy A 91 LYS HBx 1.0 1.8 3.5 2286 1869 A 91 LYS HBy A 91 LYS HDy 1.0 1.8 3.5 2287 1870 A 91 LYS HBy A 91 LYS HEx 1.0 1.8 5.0 2288 1870 A 91 LYS HBx A 91 LYS HEx 1.0 1.8 5.0 2289 1870 A 91 LYS HEy A 91 LYS HBx 1.0 1.8 5.0 2290 1870 A 91 LYS HBy A 91 LYS HEy 1.0 1.8 5.0 2291 1871 A 91 LYS HEx A 91 LYS HGx 1.0 1.8 5.0 2292 1871 A 91 LYS HEy A 91 LYS HGx 1.0 1.8 5.0 2293 1872 A 91 LYS HEy A 91 LYS HGy 1.0 1.8 5.0 2294 1872 A 91 LYS HGy A 91 LYS HEx 1.0 1.8 5.0 2295 1873 A 91 LYS HEy A 91 LYS HGx 1.0 1.8 3.5 2296 1873 A 91 LYS HEx A 91 LYS HGx 1.0 1.8 3.5 2297 1873 A 91 LYS HGy A 91 LYS HEx 1.0 1.8 3.5 2298 1873 A 91 LYS HEy A 91 LYS HGy 1.0 1.8 3.5 2299 1874 A 91 LYS H A 91 LYS HBx 1.0 1.8 3.5 2300 1875 A 91 LYS HBy A 91 LYS H 1.0 1.8 3.5 2301 1876 A 91 LYS H A 91 LYS HBx 1.0 1.8 3.5 2302 1876 A 91 LYS HBy A 91 LYS H 1.0 1.8 3.5 2303 1877 A 91 LYS H A 91 LYS HGx 1.0 1.8 5.0 2304 1878 A 91 LYS HGy A 91 LYS H 1.0 1.8 5.0 2305 1879 A 88 VAL HG1% A 92 GLY H 1.0 1.8 6.0 2306 1880 A 89 ALA HA A 92 GLY H 1.0 1.8 5.0 2307 1881 A 90 ALA HB% A 92 GLY H 1.0 1.8 6.0 2308 1882 A 92 GLY H A 91 LYS HBx 1.0 1.8 5.0 2309 1883 A 91 LYS HBy A 92 GLY H 1.0 1.8 5.0 2310 1884 A 91 LYS HBy A 92 GLY HAx 1.0 1.8 5.0 2311 1884 A 91 LYS HBx A 92 GLY HAx 1.0 1.8 5.0 2312 1884 A 92 GLY HAy A 91 LYS HBx 1.0 1.8 5.0 2313 1884 A 91 LYS HBy A 92 GLY HAy 1.0 1.8 5.0 2314 1885 A 92 GLY H A 91 LYS HBx 1.0 1.8 5.0 2315 1885 A 91 LYS HBy A 92 GLY H 1.0 1.8 5.0 2316 1886 A 92 GLY H A 91 LYS HGx 1.0 1.8 6.0 2317 1887 A 91 LYS HGy A 92 GLY H 1.0 1.8 6.0 2318 1888 A 91 LYS HGx A 92 GLY HAx 1.0 1.8 5.0 2319 1888 A 91 LYS HGy A 92 GLY HAx 1.0 1.8 5.0 2320 1888 A 92 GLY HAy A 91 LYS HGx 1.0 1.8 5.0 2321 1888 A 91 LYS HGy A 92 GLY HAy 1.0 1.8 5.0 2322 1889 A 92 GLY H A 91 LYS HGx 1.0 1.8 5.0 2323 1889 A 91 LYS HGy A 92 GLY H 1.0 1.8 5.0 2324 1890 A 91 LYS H A 92 GLY H 1.0 1.8 3.5 2325 1891 A 91 LYS H A 93 ALA H 1.0 1.8 5.0 2326 1892 A 92 GLY H A 93 ALA HB% 1.0 1.8 5.0 2327 1893 A 92 GLY H A 93 ALA H 1.0 1.8 5.0 2328 1894 A 93 ALA H A 93 ALA HB% 1.0 1.8 3.5 2329 1895 A 93 ALA HB% A 94 LEU H 1.0 1.8 5.0 2330 1896 A 93 ALA H A 94 LEU HG 1.0 1.8 5.0 2331 1897 A 94 LEU HA A 94 LEU HD2% 1.0 1.8 3.5 2332 1898 A 94 LEU HG A 94 LEU HA 1.0 1.8 5.0 2333 1899 A 94 LEU HD1% A 94 LEU HBx 1.0 1.8 5.0 2334 1900 A 94 LEU HD1% A 94 LEU HBy 1.0 1.8 5.0 2335 1901 A 94 LEU HD1% A 94 LEU HBy 1.0 1.8 3.5 2336 1901 A 94 LEU HD1% A 94 LEU HBx 1.0 1.8 3.5 2337 1902 A 94 LEU H A 94 LEU HBx 1.0 1.8 5.0 2338 1903 A 94 LEU H A 94 LEU HBy 1.0 1.8 5.0 2339 1904 A 94 LEU H A 94 LEU HBy 1.0 1.8 3.5 2340 1904 A 94 LEU H A 94 LEU HBx 1.0 1.8 3.5 2341 1905 A 94 LEU H A 94 LEU HD1% 1.0 1.8 5.0 2342 1906 A 94 LEU H A 94 LEU HD2% 1.0 1.8 6.0 2343 1907 A 94 LEU H A 94 LEU HG 1.0 1.8 5.0 2344 1908 A 94 LEU HA A 95 GLU HGx 1.0 1.8 5.0 2345 1908 A 94 LEU HA A 95 GLU HGy 1.0 1.8 5.0 2346 1909 A 94 LEU HA A 95 GLU H 1.0 1.8 3.5 2347 1910 A 94 LEU HBx A 95 GLU H 1.0 1.8 5.0 2348 1911 A 95 GLU H A 94 LEU HBy 1.0 1.8 5.0 2349 1912 A 95 GLU HA A 94 LEU HBy 1.0 1.8 5.0 2350 1912 A 94 LEU HBx A 95 GLU HA 1.0 1.8 5.0 2351 1913 A 95 GLU H A 94 LEU HBy 1.0 1.8 5.0 2352 1913 A 94 LEU HBx A 95 GLU H 1.0 1.8 5.0 2353 1914 A 94 LEU HD2% A 95 GLU H 1.0 1.8 5.0 2354 1915 A 95 GLU HA A 95 GLU HGx 1.0 1.8 5.0 2355 1915 A 95 GLU HGy A 95 GLU HA 1.0 1.8 5.0 2356 1916 A 95 GLU H A 95 GLU HBx 1.0 1.8 3.5 2357 1916 A 95 GLU H A 95 GLU HBy 1.0 1.8 3.5 2358 1917 A 95 GLU H A 95 GLU HGx 1.0 1.8 5.0 2359 1917 A 95 GLU HGy A 95 GLU H 1.0 1.8 5.0 2360 1918 A 96 HIS H A 95 GLU HBx 1.0 1.8 5.0 2361 1918 A 95 GLU HBy A 96 HIS H 1.0 1.8 5.0 2362 1919 A 96 HIS H A 95 GLU HGx 1.0 1.8 6.0 2363 1920 A 95 GLU HGy A 96 HIS H 1.0 1.8 6.0 2364 1921 A 96 HIS H A 95 GLU HGx 1.0 1.8 5.0 2365 1921 A 95 GLU HGy A 96 HIS H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 7 ARG H A 3 SER O 1.0 1.7 2.3 2 2 A 3 SER O A 7 ARG N 1.0 2.7 3.3 3 3 A 8 VAL H A 4 THR O 1.0 1.7 2.3 4 4 A 4 THR O A 8 VAL N 1.0 2.7 3.3 5 5 A 9 ALA H A 5 PHE O 1.0 1.7 2.3 6 6 A 5 PHE O A 9 ALA N 1.0 2.7 3.3 7 7 A 10 THR H A 6 ASP O 1.0 1.7 2.3 8 8 A 6 ASP O A 10 THR N 1.0 2.7 3.3 9 9 A 11 ILE H A 7 ARG O 1.0 1.7 2.3 10 10 A 7 ARG O A 11 ILE N 1.0 2.7 3.3 11 11 A 12 ILE H A 8 VAL O 1.0 1.7 2.3 12 12 A 8 VAL O A 12 ILE N 1.0 2.7 3.3 13 13 A 13 ALA H A 9 ALA O 1.0 1.7 2.3 14 14 A 9 ALA O A 13 ALA N 1.0 2.7 3.3 15 15 A 14 GLU H A 10 THR O 1.0 1.7 2.3 16 16 A 10 THR O A 14 GLU N 1.0 2.7 3.3 17 17 A 15 THR H A 11 ILE O 1.0 1.7 2.3 18 18 A 11 ILE O A 15 THR N 1.0 2.7 3.3 19 19 A 16 CYS H A 12 ILE O 1.0 1.7 2.3 20 20 A 12 ILE O A 16 CYS N 1.0 2.7 3.3 21 21 A 22 THR H A 19 PRO O 1.0 1.7 2.3 22 22 A 19 PRO O A 22 THR N 1.0 2.7 3.3 23 23 A 23 ILE H A 20 ARG O 1.0 1.7 2.3 24 24 A 20 ARG O A 23 ILE N 1.0 2.7 3.3 25 25 A 27 SER H A 24 THR O 1.0 1.7 2.3 26 26 A 24 THR O A 27 SER N 1.0 2.7 3.3 27 27 A 29 ALA H A 75 PHE O 1.0 1.7 2.3 28 28 A 75 PHE O A 29 ALA N 1.0 2.7 3.3 29 29 A 40 PHE H A 36 ASP O 1.0 1.7 2.3 30 30 A 36 ASP O A 40 PHE N 1.0 2.7 3.3 31 31 A 41 LEU H A 37 SER O 1.0 1.7 2.3 32 32 A 37 SER O A 41 LEU N 1.0 2.7 3.3 33 33 A 44 ALA H A 40 PHE O 1.0 1.7 2.3 34 34 A 40 PHE O A 44 ALA N 1.0 2.7 3.3 35 35 A 45 PHE H A 41 LEU O 1.0 1.7 2.3 36 36 A 41 LEU O A 45 PHE N 1.0 2.7 3.3 37 37 A 46 ALA H A 42 ASP O 1.0 1.7 2.3 38 38 A 42 ASP O A 46 ALA N 1.0 2.7 3.3 39 39 A 47 ILE H A 43 ILE O 1.0 1.7 2.3 40 40 A 43 ILE O A 47 ILE N 1.0 2.7 3.3 41 41 A 48 ASP H A 44 ALA O 1.0 1.7 2.3 42 42 A 44 ALA O A 48 ASP N 1.0 2.7 3.3 43 43 A 49 LYS H A 45 PHE O 1.0 1.7 2.3 44 44 A 45 PHE O A 49 LYS N 1.0 2.7 3.3 45 45 A 50 ALA H A 46 ALA O 1.0 1.7 2.3 46 46 A 46 ALA O A 50 ALA N 1.0 2.7 3.3 47 47 A 51 PHE H A 47 ILE O 1.0 1.7 2.3 48 48 A 47 ILE O A 51 PHE N 1.0 2.7 3.3 49 49 A 60 TRP H A 56 PRO O 1.0 1.7 2.3 50 50 A 56 PRO O A 60 TRP N 1.0 2.7 3.3 51 51 A 61 THR H A 57 LEU O 1.0 1.7 2.3 52 52 A 57 LEU O A 61 THR N 1.0 2.7 3.3 53 53 A 62 GLN H A 58 GLU O 1.0 1.7 2.3 54 54 A 58 GLU O A 62 GLN N 1.0 2.7 3.3 55 55 A 63 GLU H A 59 LYS O 1.0 1.7 2.3 56 56 A 59 LYS O A 63 GLU N 1.0 2.7 3.3 57 57 A 64 VAL H A 60 TRP O 1.0 1.7 2.3 58 58 A 60 TRP O A 64 VAL N 1.0 2.7 3.3 59 59 A 65 ASN H A 61 THR O 1.0 1.7 2.3 60 60 A 61 THR O A 65 ASN N 1.0 2.7 3.3 61 61 A 66 ASP H A 62 GLN O 1.0 1.7 2.3 62 62 A 62 GLN O A 66 ASP N 1.0 2.7 3.3 63 63 A 76 VAL H A 72 GLU O 1.0 1.7 2.3 64 64 A 72 GLU O A 76 VAL N 1.0 2.7 3.3 65 65 A 77 LEU H A 27 SER O 1.0 1.7 2.3 66 66 A 27 SER O A 77 LEU N 1.0 2.7 3.3 67 67 A 78 LYS H A 25 PRO O 1.0 1.7 2.3 68 68 A 25 PRO O A 78 LYS N 1.0 2.7 3.3 69 69 A 80 LEU H A 76 VAL O 1.0 1.7 2.3 70 70 A 76 VAL O A 80 LEU N 1.0 2.7 3.3 71 71 A 81 ALA H A 77 LEU O 1.0 1.7 2.3 72 72 A 77 LEU O A 81 ALA N 1.0 2.7 3.3 73 73 A 82 ALA H A 78 LYS O 1.0 1.7 2.3 74 74 A 78 LYS O A 82 ALA N 1.0 2.7 3.3 75 75 A 83 ARG H A 79 ASN O 1.0 1.7 2.3 76 76 A 79 ASN O A 83 ARG N 1.0 2.7 3.3 77 77 A 84 ILE H A 80 LEU O 1.0 1.7 2.3 78 78 A 80 LEU O A 84 ILE N 1.0 2.7 3.3 79 79 A 85 ASP H A 81 ALA O 1.0 1.7 2.3 80 80 A 81 ALA O A 85 ASP N 1.0 2.7 3.3 81 81 A 86 GLU H A 82 ALA O 1.0 1.7 2.3 82 82 A 82 ALA O A 86 GLU N 1.0 2.7 3.3 83 83 A 87 LEU H A 83 ARG O 1.0 1.7 2.3 84 84 A 83 ARG O A 87 LEU N 1.0 2.7 3.3 85 85 A 88 VAL H A 84 ILE O 1.0 1.7 2.3 86 86 A 84 ILE O A 88 VAL N 1.0 2.7 3.3 87 87 A 89 ALA H A 85 ASP O 1.0 1.7 2.3 88 88 A 85 ASP O A 89 ALA N 1.0 2.7 3.3 89 89 A 90 ALA H A 86 GLU O 1.0 1.7 2.3 90 90 A 86 GLU O A 90 ALA N 1.0 2.7 3.3 91 91 A 91 LYS H A 87 LEU O 1.0 1.7 2.3 92 92 A 87 LEU O A 91 LYS N 1.0 2.7 3.3 93 93 A 92 GLY H A 88 VAL O 1.0 1.7 2.3 94 94 A 88 VAL O A 92 GLY N 1.0 2.7 3.3 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 3 SER C A 4 THR N A 4 THR CA A 4 THR C 1.0 -81.7 -41.7 PHI 2 2 A 4 THR N A 4 THR CA A 4 THR C A 5 PHE N 1.0 -59.1 -9.9 PSI 3 3 A 4 THR C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -80.3 -40.3 PHI 4 4 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ASP N 1.0 -62.0 -22.0 PSI 5 5 A 5 PHE C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -82.2 -42.2 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 ARG N 1.0 -65.2 -25.2 PSI 7 7 A 6 ASP C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -86.5 -46.5 PHI 8 8 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 VAL N 1.0 -60.3 -20.3 PSI 9 9 A 7 ARG C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -85.3 -45.3 PHI 10 10 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ALA N 1.0 -63.1 -23.1 PSI 11 11 A 8 VAL C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -79.4 -39.4 PHI 12 12 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 THR N 1.0 -62.3 -22.3 PSI 13 13 A 9 ALA C A 10 THR N A 10 THR CA A 10 THR C 1.0 -87.1 -47.1 PHI 14 14 A 10 THR N A 10 THR CA A 10 THR C A 11 ILE N 1.0 -62.1 -22.1 PSI 15 15 A 10 THR C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -83.5 -43.5 PHI 16 16 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ILE N 1.0 -60.1 -20.1 PSI 17 17 A 11 ILE C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -85.3 -45.3 PHI 18 18 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 ALA N 1.0 -62.6 -22.6 PSI 19 19 A 12 ILE C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -79.0 -39.0 PHI 20 20 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 GLU N 1.0 -65.2 -25.2 PSI 21 21 A 13 ALA C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -85.9 -45.9 PHI 22 22 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 THR N 1.0 -63.4 -23.4 PSI 23 23 A 14 GLU C A 15 THR N A 15 THR CA A 15 THR C 1.0 -84.8 -44.8 PHI 24 24 A 15 THR N A 15 THR CA A 15 THR C A 16 CYS N 1.0 -62.0 -22.0 PSI 25 25 A 15 THR C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -115.6 -65.6 PHI 26 26 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ASP N 1.0 -25.2 23.0 PSI 27 27 A 17 ASP C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -173.6 -79.6 PHI 28 28 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 PRO N 1.0 42.9 168.7 PSI 29 29 A 19 PRO C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -74.7 -34.7 PHI 30 30 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 GLU N 1.0 -57.6 -17.6 PSI 31 31 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -90.6 -50.6 PHI 32 32 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 THR N 1.0 -45.2 9.2 PSI 33 33 A 21 GLU C A 22 THR N A 22 THR CA A 22 THR C 1.0 -122.1 -79.3 PHI 34 34 A 22 THR N A 22 THR CA A 22 THR C A 23 ILE N 1.0 -35.8 27.8 PSI 35 35 A 22 THR C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -151.3 -11.3 PHI 36 36 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 THR N 1.0 94.8 168.4 PSI 37 37 A 23 ILE C A 24 THR N A 24 THR CA A 24 THR C 1.0 -139.9 -54.5 PHI 38 38 A 24 THR N A 24 THR CA A 24 THR C A 25 PRO N 1.0 112.8 190.8 PSI 39 39 A 25 PRO C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -121.7 -67.9 PHI 40 40 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 SER N 1.0 -23.6 16.4 PSI 41 41 A 26 GLU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -86.9 -46.9 PHI 42 42 A 27 SER N A 27 SER CA A 27 SER C A 28 HIS N 1.0 82.1 160.1 PSI 43 43 A 28 HIS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -78.9 -30.9 PHI 44 44 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 -63.1 -10.9 PSI 45 45 A 34 GLY C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -141.2 -1.2 PHI 46 46 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ASP N 1.0 99.8 175.4 PSI 47 47 A 35 ILE C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -147.7 -59.7 PHI 48 48 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 SER N 1.0 113.1 199.1 PSI 49 49 A 37 SER C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -81.0 -41.0 PHI 50 50 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ASP N 1.0 -64.7 -24.7 PSI 51 51 A 38 LEU C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -86.0 -46.0 PHI 52 52 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 PHE N 1.0 -61.1 -21.1 PSI 53 53 A 39 ASP C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -82.8 -42.8 PHI 54 54 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 LEU N 1.0 -61.3 -21.3 PSI 55 55 A 40 PHE C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -81.4 -41.4 PHI 56 56 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASP N 1.0 -60.5 -20.5 PSI 57 57 A 41 LEU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -85.1 -45.1 PHI 58 58 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 ILE N 1.0 -62.4 -22.4 PSI 59 59 A 42 ASP C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -85.4 -45.4 PHI 60 60 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 ALA N 1.0 -62.9 -22.9 PSI 61 61 A 43 ILE C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -80.4 -40.4 PHI 62 62 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PHE N 1.0 -61.0 -21.0 PSI 63 63 A 44 ALA C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -83.7 -43.7 PHI 64 64 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 -64.4 -24.4 PSI 65 65 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -83.8 -43.8 PHI 66 66 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ILE N 1.0 -60.4 -20.4 PSI 67 67 A 46 ALA C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -90.0 -50.0 PHI 68 68 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 ASP N 1.0 -59.5 -19.5 PSI 69 69 A 47 ILE C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -81.4 -41.4 PHI 70 70 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 LYS N 1.0 -63.9 -23.9 PSI 71 71 A 48 ASP C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -84.4 -44.4 PHI 72 72 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ALA N 1.0 -59.2 -17.0 PSI 73 73 A 49 LYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -88.8 -48.8 PHI 74 74 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 PHE N 1.0 -62.1 -22.1 PSI 75 75 A 50 ALA C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -119.0 -75.0 PHI 76 76 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 GLY N 1.0 -32.5 18.1 PSI 77 77 A 52 GLY C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -172.9 -105.3 PHI 78 78 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 LYS N 1.0 116.7 193.9 PSI 79 79 A 53 ILE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -140.2 -56.2 PHI 80 80 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LEU N 1.0 94.9 149.9 PSI 81 81 A 54 LYS C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -131.9 -52.3 PHI 82 82 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 PRO N 1.0 85.3 169.1 PSI 83 83 A 56 PRO C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -72.7 -30.7 PHI 84 84 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 GLU N 1.0 -65.8 -15.8 PSI 85 85 A 57 LEU C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -87.3 -47.3 PHI 86 86 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 LYS N 1.0 -57.8 -17.8 PSI 87 87 A 58 GLU C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -82.9 -42.9 PHI 88 88 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 TRP N 1.0 -60.9 -20.9 PSI 89 89 A 59 LYS C A 60 TRP N A 60 TRP CA A 60 TRP C 1.0 -81.9 -41.9 PHI 90 90 A 60 TRP N A 60 TRP CA A 60 TRP C A 61 THR N 1.0 -65.2 -25.2 PSI 91 91 A 60 TRP C A 61 THR N A 61 THR CA A 61 THR C 1.0 -83.2 -43.2 PHI 92 92 A 61 THR N A 61 THR CA A 61 THR C A 62 GLN N 1.0 -58.4 -18.4 PSI 93 93 A 61 THR C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -85.0 -45.0 PHI 94 94 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 GLU N 1.0 -60.7 -20.7 PSI 95 95 A 62 GLN C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -83.7 -43.7 PHI 96 96 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 VAL N 1.0 -61.3 -21.3 PSI 97 97 A 63 GLU C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -87.3 -47.3 PHI 98 98 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 ASN N 1.0 -64.6 -24.6 PSI 99 99 A 64 VAL C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -84.6 -44.6 PHI 100 100 A 65 ASN N A 65 ASN CA A 65 ASN C A 66 ASP N 1.0 -46.0 -6.0 PSI 101 101 A 65 ASN C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -111.7 -68.5 PHI 102 102 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 GLY N 1.0 -21.6 18.4 PSI 103 103 A 66 ASP C A 67 GLY N A 67 GLY CA A 67 GLY C 1.0 61.6 105.6 PHI 104 104 A 67 GLY N A 67 GLY CA A 67 GLY C A 68 LYS N 1.0 -17.1 41.5 PSI 105 105 A 68 LYS C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -164.4 -103.2 PHI 106 106 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 THR N 1.0 131.6 182.8 PSI 107 107 A 69 ALA C A 70 THR N A 70 THR CA A 70 THR C 1.0 -153.5 -51.5 PHI 108 108 A 70 THR N A 70 THR CA A 70 THR C A 71 THR N 1.0 144.4 184.4 PSI 109 109 A 72 GLU C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -102.4 -33.2 PHI 110 110 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 TYR N 1.0 -57.1 4.7 PSI 111 111 A 75 PHE C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -137.4 2.6 PHI 112 112 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 LEU N 1.0 51.8 191.8 PSI 113 113 A 76 VAL C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -77.7 -37.7 PHI 114 114 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LYS N 1.0 -65.4 -11.0 PSI 115 115 A 77 LEU C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -80.0 -40.0 PHI 116 116 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 ASN N 1.0 -60.1 -20.1 PSI 117 117 A 78 LYS C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -87.3 -47.3 PHI 118 118 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 LEU N 1.0 -60.9 -20.9 PSI 119 119 A 79 ASN C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -81.1 -41.1 PHI 120 120 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 ALA N 1.0 -61.7 -21.7 PSI 121 121 A 80 LEU C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -79.4 -39.4 PHI 122 122 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 ALA N 1.0 -60.4 -20.4 PSI 123 123 A 81 ALA C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -82.3 -42.3 PHI 124 124 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 ARG N 1.0 -62.7 -22.7 PSI 125 125 A 82 ALA C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -84.7 -44.7 PHI 126 126 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 ILE N 1.0 -61.4 -21.4 PSI 127 127 A 83 ARG C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -84.3 -44.3 PHI 128 128 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 ASP N 1.0 -61.6 -21.6 PSI 129 129 A 84 ILE C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -81.5 -41.5 PHI 130 130 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLU N 1.0 -59.7 -19.7 PSI 131 131 A 85 ASP C A 86 GLU N A 86 GLU CA A 86 GLU C 1.0 -85.8 -45.8 PHI 132 132 A 86 GLU N A 86 GLU CA A 86 GLU C A 87 LEU N 1.0 -60.1 -20.1 PSI 133 133 A 86 GLU C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -86.9 -46.9 PHI 134 134 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 VAL N 1.0 -58.9 -16.1 PSI 135 135 A 87 LEU C A 88 VAL N A 88 VAL CA A 88 VAL C 1.0 -89.2 -47.0 PHI 136 136 A 88 VAL N A 88 VAL CA A 88 VAL C A 89 ALA N 1.0 -58.3 -18.3 PSI 137 137 A 88 VAL C A 89 ALA N A 89 ALA CA A 89 ALA C 1.0 -84.6 -44.6 PHI 138 138 A 89 ALA N A 89 ALA CA A 89 ALA C A 90 ALA N 1.0 -59.7 -19.7 PSI 139 139 A 89 ALA C A 90 ALA N A 90 ALA CA A 90 ALA C 1.0 -85.0 -45.0 PHI 140 140 A 90 ALA N A 90 ALA CA A 90 ALA C A 91 LYS N 1.0 -58.7 -18.7 PSI 141 141 A 90 ALA C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -89.7 -48.3 PHI 142 142 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 GLY N 1.0 -55.9 -9.7 PSI 143 143 A 91 LYS C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 -111.5 -40.5 PHI 144 144 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 ALA N 1.0 -58.4 6.2 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 7 ARG N A 7 ARG H 1.0 . . . 2 2 A 9 ALA N A 9 ALA H 1.0 . . . 3 3 A 10 THR N A 10 THR H 1.0 . . . 4 4 A 11 ILE N A 11 ILE H 1.0 . . . 5 5 A 12 ILE N A 12 ILE H 1.0 . . . 6 6 A 13 ALA N A 13 ALA H 1.0 . . . 7 7 A 14 GLU N A 14 GLU H 1.0 . . . 8 8 A 15 THR N A 15 THR H 1.0 . . . 9 9 A 16 CYS N A 16 CYS H 1.0 . . . 10 10 A 17 ASP N A 17 ASP H 1.0 . . . 11 11 A 18 ILE N A 18 ILE H 1.0 . . . 12 12 A 20 ARG N A 20 ARG H 1.0 . . . 13 13 A 21 GLU N A 21 GLU H 1.0 . . . 14 14 A 22 THR N A 22 THR H 1.0 . . . 15 15 A 23 ILE N A 23 ILE H 1.0 . . . 16 16 A 26 GLU N A 26 GLU H 1.0 . . . 17 17 A 27 SER N A 27 SER H 1.0 . . . 18 18 A 28 HIS N A 28 HIS H 1.0 . . . 19 19 A 29 ALA N A 29 ALA H 1.0 . . . 20 20 A 30 ILE N A 30 ILE H 1.0 . . . 21 21 A 33 LEU N A 33 LEU H 1.0 . . . 22 22 A 34 GLY N A 34 GLY H 1.0 . . . 23 23 A 36 ASP N A 36 ASP H 1.0 . . . 24 24 A 44 ALA N A 44 ALA H 1.0 . . . 25 25 A 45 PHE N A 45 PHE H 1.0 . . . 26 26 A 48 ASP N A 48 ASP H 1.0 . . . 27 27 A 50 ALA N A 50 ALA H 1.0 . . . 28 28 A 51 PHE N A 51 PHE H 1.0 . . . 29 29 A 52 GLY N A 52 GLY H 1.0 . . . 30 30 A 55 LEU N A 55 LEU H 1.0 . . . 31 31 A 57 LEU N A 57 LEU H 1.0 . . . 32 32 A 59 LYS N A 59 LYS H 1.0 . . . 33 33 A 62 GLN N A 62 GLN H 1.0 . . . 34 34 A 65 ASN N A 65 ASN H 1.0 . . . 35 35 A 66 ASP N A 66 ASP H 1.0 . . . 36 36 A 67 GLY N A 67 GLY H 1.0 . . . 37 37 A 69 ALA N A 69 ALA H 1.0 . . . 38 38 A 70 THR N A 70 THR H 1.0 . . . 39 39 A 71 THR N A 71 THR H 1.0 . . . 40 40 A 72 GLU N A 72 GLU H 1.0 . . . 41 41 A 73 GLN N A 73 GLN H 1.0 . . . 42 42 A 74 TYR N A 74 TYR H 1.0 . . . 43 43 A 75 PHE N A 75 PHE H 1.0 . . . 44 44 A 76 VAL N A 76 VAL H 1.0 . . . 45 45 A 77 LEU N A 77 LEU H 1.0 . . . 46 46 A 78 LYS N A 78 LYS H 1.0 . . . 47 47 A 79 ASN N A 79 ASN H 1.0 . . . 48 48 A 81 ALA N A 81 ALA H 1.0 . . . 49 49 A 82 ALA N A 82 ALA H 1.0 . . . 50 50 A 84 ILE N A 84 ILE H 1.0 . . . 51 51 A 86 GLU N A 86 GLU H 1.0 . . . 52 52 A 88 VAL N A 88 VAL H 1.0 . . . 53 53 A 89 ALA N A 89 ALA H 1.0 . . . 54 54 A 91 LYS N A 91 LYS H 1.0 . . . 55 55 A 92 GLY N A 92 GLY H 1.0 . . . 56 56 A 93 ALA N A 93 ALA H 1.0 . . . 57 57 A 94 LEU N A 94 LEU H 1.0 . . . stop_ save_ save_CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_6 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 7 ARG N A 7 ARG H 1.0 . . . 2 2 A 9 ALA N A 9 ALA H 1.0 . . . 3 3 A 10 THR N A 10 THR H 1.0 . . . 4 4 A 11 ILE N A 11 ILE H 1.0 . . . 5 5 A 12 ILE N A 12 ILE H 1.0 . . . 6 6 A 13 ALA N A 13 ALA H 1.0 . . . 7 7 A 14 GLU N A 14 GLU H 1.0 . . . 8 8 A 15 THR N A 15 THR H 1.0 . . . 9 9 A 16 CYS N A 16 CYS H 1.0 . . . 10 10 A 17 ASP N A 17 ASP H 1.0 . . . 11 11 A 18 ILE N A 18 ILE H 1.0 . . . 12 12 A 20 ARG N A 20 ARG H 1.0 . . . 13 13 A 21 GLU N A 21 GLU H 1.0 . . . 14 14 A 22 THR N A 22 THR H 1.0 . . . 15 15 A 23 ILE N A 23 ILE H 1.0 . . . 16 16 A 26 GLU N A 26 GLU H 1.0 . . . 17 17 A 27 SER N A 27 SER H 1.0 . . . 18 18 A 28 HIS N A 28 HIS H 1.0 . . . 19 19 A 29 ALA N A 29 ALA H 1.0 . . . 20 20 A 30 ILE N A 30 ILE H 1.0 . . . 21 21 A 32 ASP N A 32 ASP H 1.0 . . . 22 22 A 33 LEU N A 33 LEU H 1.0 . . . 23 23 A 34 GLY N A 34 GLY H 1.0 . . . 24 24 A 35 ILE N A 35 ILE H 1.0 . . . 25 25 A 36 ASP N A 36 ASP H 1.0 . . . 26 26 A 42 ASP N A 42 ASP H 1.0 . . . 27 27 A 44 ALA N A 44 ALA H 1.0 . . . 28 28 A 45 PHE N A 45 PHE H 1.0 . . . 29 29 A 46 ALA N A 46 ALA H 1.0 . . . 30 30 A 48 ASP N A 48 ASP H 1.0 . . . 31 31 A 49 LYS N A 49 LYS H 1.0 . . . 32 32 A 50 ALA N A 50 ALA H 1.0 . . . 33 33 A 51 PHE N A 51 PHE H 1.0 . . . 34 34 A 52 GLY N A 52 GLY H 1.0 . . . 35 35 A 53 ILE N A 53 ILE H 1.0 . . . 36 36 A 55 LEU N A 55 LEU H 1.0 . . . 37 37 A 57 LEU N A 57 LEU H 1.0 . . . 38 38 A 58 GLU N A 58 GLU H 1.0 . . . 39 39 A 59 LYS N A 59 LYS H 1.0 . . . 40 40 A 61 THR N A 61 THR H 1.0 . . . 41 41 A 62 GLN N A 62 GLN H 1.0 . . . 42 42 A 64 VAL N A 64 VAL H 1.0 . . . 43 43 A 65 ASN N A 65 ASN H 1.0 . . . 44 44 A 66 ASP N A 66 ASP H 1.0 . . . 45 45 A 67 GLY N A 67 GLY H 1.0 . . . 46 46 A 69 ALA N A 69 ALA H 1.0 . . . 47 47 A 70 THR N A 70 THR H 1.0 . . . 48 48 A 71 THR N A 71 THR H 1.0 . . . 49 49 A 72 GLU N A 72 GLU H 1.0 . . . 50 50 A 73 GLN N A 73 GLN H 1.0 . . . 51 51 A 74 TYR N A 74 TYR H 1.0 . . . 52 52 A 75 PHE N A 75 PHE H 1.0 . . . 53 53 A 76 VAL N A 76 VAL H 1.0 . . . 54 54 A 77 LEU N A 77 LEU H 1.0 . . . 55 55 A 78 LYS N A 78 LYS H 1.0 . . . 56 56 A 79 ASN N A 79 ASN H 1.0 . . . 57 57 A 80 LEU N A 80 LEU H 1.0 . . . 58 58 A 81 ALA N A 81 ALA H 1.0 . . . 59 59 A 82 ALA N A 82 ALA H 1.0 . . . 60 60 A 83 ARG N A 83 ARG H 1.0 . . . 61 61 A 84 ILE N A 84 ILE H 1.0 . . . 62 62 A 85 ASP N A 85 ASP H 1.0 . . . 63 63 A 86 GLU N A 86 GLU H 1.0 . . . 64 64 A 88 VAL N A 88 VAL H 1.0 . . . 65 65 A 89 ALA N A 89 ALA H 1.0 . . . 66 66 A 90 ALA N A 90 ALA H 1.0 . . . 67 67 A 91 LYS N A 91 LYS H 1.0 . . . 68 68 A 92 GLY N A 92 GLY H 1.0 . . . 69 69 A 93 ALA N A 93 ALA H 1.0 . . . 70 70 A 94 LEU N A 94 LEU H 1.0 . . . stop_ save_ save_holo_Nnoesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode holo_Nnoesy _nef_nmr_spectrum.num_dimensions 3 save_ save_holo_4D_d2o_ccnoesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode holo_4D_d2o_ccnoesy _nef_nmr_spectrum.num_dimensions 4 save_ save_holo_Cnoesy_aliph _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode holo_Cnoesy_aliph _nef_nmr_spectrum.num_dimensions 3 save_ save_holo_Cnoesy_arom _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode holo_Cnoesy_arom _nef_nmr_spectrum.num_dimensions 3 save_