data_nef_c17967_2ljx 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17968 stop_ 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 68 CYS SG 2 1 ZN ZN 1 65 CYS SG 2 1 ZN ZN 1 35 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 1 ZN ZN 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 GLY start . false 2 A 0 ALA middle . . 3 A 1 MET middle . . 4 A 2 PHE middle . . 5 A 3 GLN middle . . 6 A 4 ASP middle . . 7 A 5 PRO middle . true 8 A 6 GLN middle . . 9 A 7 GLU middle . . 10 A 8 ARG middle . . 11 A 9 PRO middle . false 12 A 10 ARG middle . . 13 A 11 LYS middle . . 14 A 12 LEU middle . . 15 A 13 PRO middle . false 16 A 14 GLN middle . . 17 A 15 LEU middle . . 18 A 16 CYS middle . . 19 A 17 THR middle . . 20 A 18 GLU middle . . 21 A 19 LEU middle . . 22 A 20 GLN middle . . 23 A 21 THR middle . . 24 A 22 THR middle . . 25 A 23 ILE middle . . 26 A 24 HIS middle . . 27 A 25 ASP middle . . 28 A 26 ILE middle . . 29 A 27 ILE middle . . 30 A 28 LEU middle . . 31 A 29 GLU middle . . 32 A 30 CYS middle -HG . 33 A 31 VAL middle . . 34 A 32 TYR middle . . 35 A 33 CYS middle -HG . 36 A 34 LYS middle . . 37 A 35 GLN middle . . 38 A 36 GLN middle . . 39 A 37 LEU middle . . 40 A 38 LEU middle . . 41 A 39 ARG middle . . 42 A 40 ARG middle . . 43 A 41 GLU middle . . 44 A 42 VAL middle . . 45 A 43 TYR middle . . 46 A 44 ASP middle . . 47 A 45 PHE middle . . 48 A 46 ALA middle . . 49 A 47 ARG middle . . 50 A 48 ARG middle . . 51 A 49 ASP middle . . 52 A 50 LEU middle . . 53 A 51 CYS middle . . 54 A 52 ILE middle . . 55 A 53 VAL middle . . 56 A 54 TYR middle . . 57 A 55 ARG middle . . 58 A 56 ASP middle . . 59 A 57 GLY middle . false 60 A 58 ASN middle . . 61 A 59 PRO middle . false 62 A 60 TYR middle . . 63 A 61 ALA middle . . 64 A 62 VAL middle . . 65 A 63 CYS middle -HG . 66 A 64 ASP middle . . 67 A 65 LYS middle . . 68 A 66 CYS middle -HG . 69 A 67 LEU middle . . 70 A 68 LYS middle . . 71 A 69 PHE middle . . 72 A 70 TYR middle . . 73 A 71 SER middle . . 74 A 72 LYS middle . . 75 A 73 ILE middle . . 76 A 74 SER middle . . 77 A 75 GLU middle . . 78 A 76 TYR middle . . 79 A 77 ARG middle . . 80 A 78 HIS middle . . 81 A 79 TYR middle . . 82 A 80 SER middle . . 83 A 81 TYR middle . . 84 A 82 SER end . . 85 B 1 ZN . . . stop_ save_ save_E6N _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode E6N loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 GLY HA3 H 1 3.77 0.02 A -1 GLY CA C 13 43.63 0.30 A 0 ALA HA H 1 4.29 0.02 A 0 ALA HB% H 1 1.30 0.02 A 0 ALA CA C 13 52.53 0.30 A 0 ALA CB C 13 19.73 0.30 A 1 MET H H 1 8.37 0.02 A 1 MET HA H 1 4.30 0.02 A 1 MET HBy H 1 1.85 0.02 A 1 MET HBx H 1 1.79 0.02 A 1 MET HE% H 1 2.01 0.02 A 1 MET HGy H 1 2.39 0.02 A 1 MET HGx H 1 2.28 0.02 A 1 MET CA C 13 56.03 0.30 A 1 MET CB C 13 33.43 0.30 A 1 MET CE C 13 17.03 0.30 A 1 MET CG C 13 32.03 0.30 A 1 MET N N 15 122.21 0.30 A 2 PHE H H 1 8.37 0.02 A 2 PHE HA H 1 4.63 0.02 A 2 PHE HBy H 1 3.03 0.02 A 2 PHE HBx H 1 2.95 0.02 A 2 PHE HD1 H 1 7.24 0.02 A 2 PHE HE1 H 1 7.30 0.02 A 2 PHE HZ H 1 7.17 0.02 A 2 PHE CA C 13 57.33 0.30 A 2 PHE CB C 13 39.43 0.30 A 2 PHE N N 15 122.31 0.30 A 3 GLN H H 1 8.26 0.02 A 3 GLN HA H 1 4.18 0.02 A 3 GLN HBy H 1 1.99 0.02 A 3 GLN HBx H 1 1.87 0.02 A 3 GLN HE21 H 1 7.50 0.02 A 3 GLN HE22 H 1 6.81 0.02 A 3 GLN HG2 H 1 2.24 0.02 A 3 GLN CA C 13 56.13 0.30 A 3 GLN CB C 13 29.93 0.30 A 3 GLN CG C 13 33.93 0.30 A 3 GLN N N 15 123.51 0.30 A 3 GLN NE2 N 15 114.51 0.30 A 4 ASP H H 1 8.42 0.02 A 4 ASP HA H 1 4.79 0.02 A 4 ASP HBy H 1 2.76 0.02 A 4 ASP HBx H 1 2.49 0.02 A 4 ASP CA C 13 51.93 0.30 A 4 ASP CB C 13 41.73 0.30 A 4 ASP N N 15 125.01 0.30 A 5 PRO HA H 1 4.12 0.02 A 5 PRO HBy H 1 2.22 0.02 A 5 PRO HBx H 1 1.89 0.02 A 5 PRO HDy H 1 3.93 0.02 A 5 PRO HDx H 1 3.80 0.02 A 5 PRO HGy H 1 2.00 0.02 A 5 PRO HGx H 1 1.97 0.02 A 5 PRO CA C 13 64.03 0.30 A 5 PRO CB C 13 32.33 0.30 A 5 PRO CD C 13 51.13 0.30 A 5 PRO CG C 13 27.43 0.30 A 6 GLN H H 1 8.43 0.02 A 6 GLN HA H 1 4.16 0.02 A 6 GLN HBy H 1 2.06 0.02 A 6 GLN HBx H 1 2.00 0.02 A 6 GLN HE21 H 1 7.63 0.02 A 6 GLN HE22 H 1 6.83 0.02 A 6 GLN HG2 H 1 2.33 0.02 A 6 GLN CA C 13 56.63 0.30 A 6 GLN CB C 13 29.33 0.30 A 6 GLN CG C 13 34.33 0.30 A 6 GLN N N 15 119.71 0.30 A 6 GLN NE2 N 15 114.81 0.30 A 7 GLU H H 1 7.94 0.02 A 7 GLU HA H 1 4.20 0.02 A 7 GLU HBy H 1 2.02 0.02 A 7 GLU HBx H 1 1.78 0.02 A 7 GLU HGy H 1 2.17 0.02 A 7 GLU HGx H 1 2.11 0.02 A 7 GLU CA C 13 56.03 0.30 A 7 GLU CB C 13 30.53 0.30 A 7 GLU CG C 13 36.23 0.30 A 7 GLU N N 15 122.11 0.30 A 8 ARG H H 1 7.66 0.02 A 8 ARG HA H 1 4.40 0.02 A 8 ARG HBy H 1 1.51 0.02 A 8 ARG HBx H 1 1.21 0.02 A 8 ARG HDy H 1 2.39 0.02 A 8 ARG HDx H 1 2.28 0.02 A 8 ARG HG2 H 1 1.27 0.02 A 8 ARG CA C 13 54.13 0.30 A 8 ARG CB C 13 29.33 0.30 A 8 ARG CD C 13 43.13 0.30 A 8 ARG CG C 13 26.23 0.30 A 8 ARG N N 15 123.41 0.30 A 9 PRO HA H 1 4.35 0.02 A 9 PRO HBy H 1 2.15 0.02 A 9 PRO HBx H 1 1.74 0.02 A 9 PRO HDy H 1 3.78 0.02 A 9 PRO HDx H 1 3.47 0.02 A 9 PRO HG2 H 1 1.90 0.02 A 9 PRO CA C 13 63.53 0.30 A 9 PRO CB C 13 32.63 0.30 A 9 PRO CD C 13 50.63 0.30 A 9 PRO CG C 13 28.13 0.30 A 10 ARG H H 1 8.71 0.02 A 10 ARG HA H 1 4.67 0.02 A 10 ARG HBy H 1 2.06 0.02 A 10 ARG HBx H 1 1.89 0.02 A 10 ARG HD2 H 1 3.26 0.02 A 10 ARG HGy H 1 1.87 0.02 A 10 ARG HGx H 1 1.77 0.02 A 10 ARG CA C 13 56.83 0.30 A 10 ARG CB C 13 32.53 0.30 A 10 ARG CD C 13 43.53 0.30 A 10 ARG CG C 13 27.93 0.30 A 10 ARG N N 15 123.81 0.30 A 11 LYS H H 1 7.80 0.02 A 11 LYS HA H 1 5.05 0.02 A 11 LYS HBy H 1 2.10 0.02 A 11 LYS HBx H 1 2.04 0.02 A 11 LYS HD2 H 1 1.77 0.02 A 11 LYS HEy H 1 2.92 0.02 A 11 LYS HEx H 1 2.82 0.02 A 11 LYS HGy H 1 1.57 0.02 A 11 LYS HGx H 1 1.29 0.02 A 11 LYS CA C 13 53.33 0.30 A 11 LYS CB C 13 35.43 0.30 A 11 LYS CD C 13 28.33 0.30 A 11 LYS CE C 13 43.13 0.30 A 11 LYS CG C 13 25.03 0.30 A 11 LYS N N 15 118.41 0.30 A 12 LEU H H 1 10.21 0.02 A 12 LEU HA H 1 4.17 0.02 A 12 LEU HBy H 1 1.86 0.02 A 12 LEU HBx H 1 1.84 0.02 A 12 LEU HD1% H 1 0.96 0.02 A 12 LEU HD2% H 1 0.91 0.02 A 12 LEU HG H 1 1.62 0.02 A 12 LEU CA C 13 59.73 0.30 A 12 LEU CB C 13 40.53 0.30 A 12 LEU CD1 C 13 26.63 0.30 A 12 LEU CD2 C 13 26.93 0.30 A 12 LEU CG C 13 28.43 0.30 A 12 LEU N N 15 125.01 0.30 A 13 PRO HA H 1 4.22 0.02 A 13 PRO HBy H 1 2.40 0.02 A 13 PRO HBx H 1 1.87 0.02 A 13 PRO HDy H 1 3.79 0.02 A 13 PRO HDx H 1 3.71 0.02 A 13 PRO HG2 H 1 2.27 0.02 A 13 PRO CA C 13 67.23 0.30 A 13 PRO CB C 13 30.73 0.30 A 13 PRO CD C 13 50.63 0.30 A 13 PRO CG C 13 29.23 0.30 A 14 GLN H H 1 7.11 0.02 A 14 GLN HA H 1 4.19 0.02 A 14 GLN HBy H 1 2.34 0.02 A 14 GLN HBx H 1 2.08 0.02 A 14 GLN HE21 H 1 7.86 0.02 A 14 GLN HE22 H 1 6.94 0.02 A 14 GLN HGy H 1 2.55 0.02 A 14 GLN HGx H 1 2.49 0.02 A 14 GLN CA C 13 59.03 0.30 A 14 GLN CB C 13 28.63 0.30 A 14 GLN CG C 13 34.53 0.30 A 14 GLN N N 15 117.81 0.30 A 14 GLN NE2 N 15 115.11 0.30 A 15 LEU H H 1 8.01 0.02 A 15 LEU HA H 1 4.01 0.02 A 15 LEU HBy H 1 2.11 0.02 A 15 LEU HBx H 1 1.23 0.02 A 15 LEU HD1% H 1 0.92 0.02 A 15 LEU HD2% H 1 0.89 0.02 A 15 LEU HG H 1 0.67 0.02 A 15 LEU CA C 13 58.33 0.30 A 15 LEU CB C 13 42.03 0.30 A 15 LEU CD1 C 13 23.33 0.30 A 15 LEU CD2 C 13 23.33 0.30 A 15 LEU CG C 13 26.73 0.30 A 15 LEU N N 15 124.71 0.30 A 16 CYS H H 1 8.38 0.02 A 16 CYS HA H 1 3.75 0.02 A 16 CYS HBy H 1 3.14 0.02 A 16 CYS HBx H 1 2.67 0.02 A 16 CYS CA C 13 64.73 0.30 A 16 CYS CB C 13 26.23 0.30 A 16 CYS N N 15 117.21 0.30 A 17 THR H H 1 7.72 0.02 A 17 THR HA H 1 4.00 0.02 A 17 THR HB H 1 4.25 0.02 A 17 THR HG2% H 1 1.26 0.02 A 17 THR CA C 13 66.83 0.30 A 17 THR CB C 13 68.83 0.30 A 17 THR CG2 C 13 22.23 0.30 A 17 THR N N 15 117.81 0.30 A 18 GLU H H 1 8.01 0.02 A 18 GLU HA H 1 4.07 0.02 A 18 GLU HBy H 1 2.24 0.02 A 18 GLU HBx H 1 2.16 0.02 A 18 GLU HGy H 1 2.38 0.02 A 18 GLU HGx H 1 2.31 0.02 A 18 GLU CA C 13 59.73 0.30 A 18 GLU CB C 13 29.73 0.30 A 18 GLU CG C 13 36.43 0.30 A 18 GLU N N 15 125.41 0.30 A 19 LEU H H 1 8.01 0.02 A 19 LEU HA H 1 4.30 0.02 A 19 LEU HBy H 1 1.66 0.02 A 19 LEU HBx H 1 1.61 0.02 A 19 LEU HD1% H 1 0.86 0.02 A 19 LEU HD2% H 1 0.81 0.02 A 19 LEU HG H 1 1.79 0.02 A 19 LEU CA C 13 54.83 0.30 A 19 LEU CB C 13 42.33 0.30 A 19 LEU CD1 C 13 22.33 0.30 A 19 LEU CD2 C 13 25.63 0.30 A 19 LEU CG C 13 27.03 0.30 A 19 LEU N N 15 118.81 0.30 A 20 GLN H H 1 7.86 0.02 A 20 GLN HA H 1 3.95 0.02 A 20 GLN HBy H 1 2.29 0.02 A 20 GLN HBx H 1 2.17 0.02 A 20 GLN HE21 H 1 7.61 0.02 A 20 GLN HE22 H 1 6.82 0.02 A 20 GLN HG2 H 1 2.29 0.02 A 20 GLN CA C 13 56.73 0.30 A 20 GLN CB C 13 26.13 0.30 A 20 GLN CG C 13 34.43 0.30 A 20 GLN N N 15 118.31 0.30 A 20 GLN NE2 N 15 114.81 0.30 A 21 THR H H 1 8.25 0.02 A 21 THR HA H 1 4.95 0.02 A 21 THR HB H 1 3.87 0.02 A 21 THR HG2% H 1 1.12 0.02 A 21 THR CA C 13 58.53 0.30 A 21 THR CB C 13 70.33 0.30 A 21 THR CG2 C 13 19.63 0.30 A 21 THR N N 15 115.91 0.30 A 22 THR H H 1 8.66 0.02 A 22 THR HA H 1 4.88 0.02 A 22 THR HB H 1 4.44 0.02 A 22 THR HG2% H 1 1.27 0.02 A 22 THR CA C 13 59.73 0.30 A 22 THR CB C 13 74.13 0.30 A 22 THR CG2 C 13 21.03 0.30 A 22 THR N N 15 112.81 0.30 A 23 ILE H H 1 9.06 0.02 A 23 ILE HA H 1 3.78 0.02 A 23 ILE HB H 1 1.69 0.02 A 23 ILE HD1% H 1 0.80 0.02 A 23 ILE HG1y H 1 1.16 0.02 A 23 ILE HG1x H 1 1.15 0.02 A 23 ILE HG2% H 1 0.51 0.02 A 23 ILE CA C 13 63.43 0.30 A 23 ILE CB C 13 38.63 0.30 A 23 ILE CD1 C 13 15.03 0.30 A 23 ILE CG1 C 13 28.73 0.30 A 23 ILE CG2 C 13 16.03 0.30 A 23 ILE N N 15 123.71 0.30 A 24 HIS H H 1 7.04 0.02 A 24 HIS HA H 1 4.44 0.02 A 24 HIS HBy H 1 3.17 0.02 A 24 HIS HBx H 1 2.80 0.02 A 24 HIS HD2 H 1 7.08 0.02 A 24 HIS HE1 H 1 7.70 0.02 A 24 HIS CA C 13 57.03 0.30 A 24 HIS CB C 13 30.83 0.30 A 24 HIS N N 15 119.51 0.30 A 25 ASP H H 1 7.25 0.02 A 25 ASP HA H 1 4.76 0.02 A 25 ASP HBy H 1 2.64 0.02 A 25 ASP HBx H 1 2.48 0.02 A 25 ASP CA C 13 54.43 0.30 A 25 ASP CB C 13 44.33 0.30 A 25 ASP N N 15 116.81 0.30 A 26 ILE H H 1 7.75 0.02 A 26 ILE HA H 1 3.93 0.02 A 26 ILE HB H 1 1.84 0.02 A 26 ILE HD1% H 1 0.66 0.02 A 26 ILE HG1y H 1 1.48 0.02 A 26 ILE HG1x H 1 0.85 0.02 A 26 ILE HG2% H 1 0.70 0.02 A 26 ILE CA C 13 63.03 0.30 A 26 ILE CB C 13 37.93 0.30 A 26 ILE CD1 C 13 14.93 0.30 A 26 ILE CG1 C 13 29.73 0.30 A 26 ILE CG2 C 13 16.43 0.30 A 26 ILE N N 15 123.21 0.30 A 27 ILE H H 1 8.27 0.02 A 27 ILE HA H 1 4.38 0.02 A 27 ILE HB H 1 1.77 0.02 A 27 ILE HD1% H 1 0.72 0.02 A 27 ILE HG1y H 1 1.50 0.02 A 27 ILE HG1x H 1 1.20 0.02 A 27 ILE HG2% H 1 0.67 0.02 A 27 ILE CA C 13 58.83 0.30 A 27 ILE CB C 13 37.63 0.30 A 27 ILE CD1 C 13 11.43 0.30 A 27 ILE CG1 C 13 26.53 0.30 A 27 ILE CG2 C 13 17.03 0.30 A 27 ILE N N 15 131.11 0.30 A 28 LEU H H 1 8.50 0.02 A 28 LEU HA H 1 4.66 0.02 A 28 LEU HBy H 1 1.12 0.02 A 28 LEU HBx H 1 1.06 0.02 A 28 LEU HD1% H 1 0.51 0.02 A 28 LEU HD2% H 1 0.46 0.02 A 28 LEU HG H 1 1.24 0.02 A 28 LEU CA C 13 52.53 0.30 A 28 LEU CB C 13 48.33 0.30 A 28 LEU CD1 C 13 23.13 0.30 A 28 LEU CD2 C 13 27.13 0.30 A 28 LEU CG C 13 26.93 0.30 A 28 LEU N N 15 129.41 0.30 A 29 GLU H H 1 8.86 0.02 A 29 GLU HA H 1 4.68 0.02 A 29 GLU HBy H 1 1.94 0.02 A 29 GLU HBx H 1 1.57 0.02 A 29 GLU HG2 H 1 1.94 0.02 A 29 GLU CA C 13 53.93 0.30 A 29 GLU CB C 13 33.03 0.30 A 29 GLU CG C 13 36.53 0.30 A 29 GLU N N 15 121.91 0.30 A 30 CYS H H 1 8.27 0.02 A 30 CYS HA H 1 4.02 0.02 A 30 CYS HBy H 1 3.44 0.02 A 30 CYS HBx H 1 2.62 0.02 A 30 CYS CA C 13 58.23 0.30 A 30 CYS CB C 13 31.73 0.30 A 30 CYS N N 15 125.71 0.30 A 31 VAL H H 1 8.86 0.02 A 31 VAL HA H 1 3.10 0.02 A 31 VAL HB H 1 1.79 0.02 A 31 VAL HG1% H 1 0.29 0.02 A 31 VAL HG2% H 1 0.06 0.02 A 31 VAL CA C 13 64.23 0.30 A 31 VAL CB C 13 31.63 0.30 A 31 VAL CG1 C 13 21.83 0.30 A 31 VAL CG2 C 13 18.93 0.30 A 31 VAL N N 15 132.31 0.30 A 32 TYR H H 1 8.59 0.02 A 32 TYR HA H 1 4.44 0.02 A 32 TYR HBy H 1 3.67 0.02 A 32 TYR HBx H 1 3.13 0.02 A 32 TYR HD1 H 1 6.96 0.02 A 32 TYR HE1 H 1 6.51 0.02 A 32 TYR CA C 13 61.03 0.30 A 32 TYR CB C 13 40.13 0.30 A 32 TYR N N 15 124.31 0.30 A 33 CYS H H 1 8.07 0.02 A 33 CYS HA H 1 4.84 0.02 A 33 CYS HBy H 1 3.23 0.02 A 33 CYS HBx H 1 2.64 0.02 A 33 CYS CA C 13 59.43 0.30 A 33 CYS CB C 13 32.23 0.30 A 33 CYS N N 15 119.81 0.30 A 34 LYS H H 1 7.86 0.02 A 34 LYS HA H 1 4.19 0.02 A 34 LYS HB3 H 1 2.05 0.02 A 34 LYS HDy H 1 1.58 0.02 A 34 LYS HDx H 1 1.48 0.02 A 34 LYS HE2 H 1 2.75 0.02 A 34 LYS HGy H 1 1.29 0.02 A 34 LYS HGx H 1 1.21 0.02 A 34 LYS CA C 13 57.83 0.30 A 34 LYS CB C 13 29.33 0.30 A 34 LYS CD C 13 28.33 0.30 A 34 LYS CE C 13 42.33 0.30 A 34 LYS CG C 13 25.03 0.30 A 34 LYS N N 15 119.91 0.30 A 35 GLN H H 1 8.27 0.02 A 35 GLN HA H 1 4.36 0.02 A 35 GLN HBy H 1 2.18 0.02 A 35 GLN HBx H 1 2.02 0.02 A 35 GLN HE21 H 1 7.63 0.02 A 35 GLN HE22 H 1 6.91 0.02 A 35 GLN HG2 H 1 2.51 0.02 A 35 GLN CA C 13 55.43 0.30 A 35 GLN CB C 13 29.63 0.30 A 35 GLN CG C 13 35.03 0.30 A 35 GLN N N 15 120.71 0.30 A 35 GLN NE2 N 15 116.51 0.30 A 36 GLN H H 1 8.64 0.02 A 36 GLN HA H 1 4.30 0.02 A 36 GLN HBy H 1 1.99 0.02 A 36 GLN HBx H 1 1.80 0.02 A 36 GLN HE21 H 1 7.73 0.02 A 36 GLN HE22 H 1 6.88 0.02 A 36 GLN HGy H 1 2.36 0.02 A 36 GLN HGx H 1 2.26 0.02 A 36 GLN CA C 13 56.73 0.30 A 36 GLN CB C 13 29.33 0.30 A 36 GLN CG C 13 34.83 0.30 A 36 GLN N N 15 123.71 0.30 A 36 GLN NE2 N 15 114.51 0.30 A 37 LEU H H 1 8.87 0.02 A 37 LEU HA H 1 4.11 0.02 A 37 LEU HBy H 1 1.78 0.02 A 37 LEU HBx H 1 1.11 0.02 A 37 LEU HD1% H 1 0.42 0.02 A 37 LEU HD2% H 1 0.38 0.02 A 37 LEU HG H 1 1.44 0.02 A 37 LEU CA C 13 57.33 0.30 A 37 LEU CB C 13 41.93 0.30 A 37 LEU CD1 C 13 23.43 0.30 A 37 LEU CD2 C 13 25.93 0.30 A 37 LEU CG C 13 32.63 0.30 A 37 LEU N N 15 131.31 0.30 A 38 LEU H H 1 9.85 0.02 A 38 LEU HA H 1 4.31 0.02 A 38 LEU HBy H 1 1.78 0.02 A 38 LEU HBx H 1 1.57 0.02 A 38 LEU HD1% H 1 0.96 0.02 A 38 LEU HD2% H 1 0.95 0.02 A 38 LEU HG H 1 1.89 0.02 A 38 LEU CA C 13 54.23 0.30 A 38 LEU CB C 13 43.13 0.30 A 38 LEU CD1 C 13 25.73 0.30 A 38 LEU CD2 C 13 22.53 0.30 A 38 LEU CG C 13 27.53 0.30 A 38 LEU N N 15 126.31 0.30 A 39 ARG H H 1 8.97 0.02 A 39 ARG HA H 1 3.52 0.02 A 39 ARG HBy H 1 1.99 0.02 A 39 ARG HBx H 1 1.85 0.02 A 39 ARG HD2 H 1 2.84 0.02 A 39 ARG HGy H 1 1.90 0.02 A 39 ARG HGx H 1 1.78 0.02 A 39 ARG CA C 13 57.83 0.30 A 39 ARG CB C 13 26.93 0.30 A 39 ARG CD C 13 43.03 0.30 A 39 ARG CG C 13 27.13 0.30 A 39 ARG N N 15 127.11 0.30 A 40 ARG H H 1 8.61 0.02 A 40 ARG HA H 1 4.08 0.02 A 40 ARG HBy H 1 1.96 0.02 A 40 ARG HBx H 1 1.75 0.02 A 40 ARG HD2 H 1 3.22 0.02 A 40 ARG HG2 H 1 1.71 0.02 A 40 ARG CA C 13 59.13 0.30 A 40 ARG CB C 13 29.33 0.30 A 40 ARG CD C 13 43.43 0.30 A 40 ARG CG C 13 26.63 0.30 A 40 ARG N N 15 115.81 0.30 A 41 GLU H H 1 6.95 0.02 A 41 GLU HA H 1 4.25 0.02 A 41 GLU HBy H 1 2.53 0.02 A 41 GLU HBx H 1 2.14 0.02 A 41 GLU HGy H 1 2.44 0.02 A 41 GLU HGx H 1 2.29 0.02 A 41 GLU CA C 13 59.03 0.30 A 41 GLU CB C 13 30.33 0.30 A 41 GLU CG C 13 38.63 0.30 A 41 GLU N N 15 119.91 0.30 A 42 VAL H H 1 7.82 0.02 A 42 VAL HA H 1 3.24 0.02 A 42 VAL HB H 1 2.18 0.02 A 42 VAL HG1% H 1 0.78 0.02 A 42 VAL HG2% H 1 0.79 0.02 A 42 VAL CA C 13 67.63 0.30 A 42 VAL CB C 13 31.33 0.30 A 42 VAL CG1 C 13 23.33 0.30 A 42 VAL CG2 C 13 22.43 0.30 A 42 VAL N N 15 125.01 0.30 A 43 TYR H H 1 7.82 0.02 A 43 TYR HA H 1 4.43 0.02 A 43 TYR HB3 H 1 3.16 0.02 A 43 TYR HD1 H 1 6.97 0.02 A 43 TYR HE1 H 1 6.69 0.02 A 43 TYR CA C 13 58.83 0.30 A 43 TYR CB C 13 36.73 0.30 A 43 TYR N N 15 118.41 0.30 A 44 ASP H H 1 8.54 0.02 A 44 ASP HA H 1 4.60 0.02 A 44 ASP HBy H 1 2.85 0.02 A 44 ASP HBx H 1 2.69 0.02 A 44 ASP CA C 13 57.83 0.30 A 44 ASP CB C 13 41.03 0.30 A 44 ASP N N 15 122.41 0.30 A 45 PHE H H 1 8.32 0.02 A 45 PHE HA H 1 3.91 0.02 A 45 PHE HBy H 1 3.33 0.02 A 45 PHE HBx H 1 3.26 0.02 A 45 PHE HD2 H 1 7.22 0.02 A 45 PHE HE2 H 1 7.07 0.02 A 45 PHE HZ H 1 7.29 0.02 A 45 PHE CA C 13 62.63 0.30 A 45 PHE CB C 13 39.33 0.30 A 45 PHE N N 15 126.21 0.30 A 46 ALA H H 1 7.74 0.02 A 46 ALA HA H 1 4.52 0.02 A 46 ALA HB% H 1 1.63 0.02 A 46 ALA CA C 13 54.23 0.30 A 46 ALA CB C 13 18.73 0.30 A 46 ALA N N 15 119.11 0.30 A 47 ARG H H 1 8.50 0.02 A 47 ARG HA H 1 4.05 0.02 A 47 ARG HBy H 1 2.03 0.02 A 47 ARG HBx H 1 2.00 0.02 A 47 ARG HD2 H 1 3.17 0.02 A 47 ARG HGy H 1 1.73 0.02 A 47 ARG HGx H 1 1.64 0.02 A 47 ARG CA C 13 59.63 0.30 A 47 ARG CB C 13 30.43 0.30 A 47 ARG CD C 13 43.43 0.30 A 47 ARG CG C 13 27.43 0.30 A 47 ARG N N 15 124.01 0.30 A 48 ARG H H 1 7.94 0.02 A 48 ARG HA H 1 4.01 0.02 A 48 ARG HBy H 1 1.84 0.02 A 48 ARG HBx H 1 1.52 0.02 A 48 ARG HDy H 1 3.00 0.02 A 48 ARG HDx H 1 2.91 0.02 A 48 ARG HGy H 1 1.82 0.02 A 48 ARG HGx H 1 1.55 0.02 A 48 ARG CA C 13 57.13 0.30 A 48 ARG CB C 13 31.13 0.30 A 48 ARG CD C 13 44.13 0.30 A 48 ARG CG C 13 28.53 0.30 A 48 ARG N N 15 119.11 0.30 A 49 ASP H H 1 7.95 0.02 A 49 ASP HA H 1 4.42 0.02 A 49 ASP HBy H 1 3.16 0.02 A 49 ASP HBx H 1 2.22 0.02 A 49 ASP CA C 13 54.53 0.30 A 49 ASP CB C 13 39.93 0.30 A 49 ASP N N 15 120.91 0.30 A 50 LEU H H 1 6.64 0.02 A 50 LEU HA H 1 4.15 0.02 A 50 LEU HBy H 1 0.71 0.02 A 50 LEU HBx H 1 -0.18 0.02 A 50 LEU HD1% H 1 0.65 0.02 A 50 LEU HD2% H 1 0.51 0.02 A 50 LEU HG H 1 1.12 0.02 A 50 LEU CA C 13 54.23 0.30 A 50 LEU CB C 13 41.13 0.30 A 50 LEU CD1 C 13 22.23 0.30 A 50 LEU CD2 C 13 26.53 0.30 A 50 LEU CG C 13 26.73 0.30 A 50 LEU N N 15 118.41 0.30 A 51 CYS H H 1 8.03 0.02 A 51 CYS HA H 1 4.93 0.02 A 51 CYS HBy H 1 3.03 0.02 A 51 CYS HBx H 1 2.84 0.02 A 51 CYS CA C 13 58.93 0.30 A 51 CYS CB C 13 28.63 0.30 A 51 CYS N N 15 117.41 0.30 A 52 ILE H H 1 8.50 0.02 A 52 ILE HA H 1 4.01 0.02 A 52 ILE HB H 1 1.80 0.02 A 52 ILE HD1% H 1 0.48 0.02 A 52 ILE HG1y H 1 1.39 0.02 A 52 ILE HG1x H 1 1.15 0.02 A 52 ILE HG2% H 1 0.39 0.02 A 52 ILE CA C 13 59.63 0.30 A 52 ILE CB C 13 37.33 0.30 A 52 ILE CD1 C 13 10.73 0.30 A 52 ILE CG1 C 13 26.63 0.30 A 52 ILE CG2 C 13 17.63 0.30 A 52 ILE N N 15 125.11 0.30 A 53 VAL H H 1 8.13 0.02 A 53 VAL HA H 1 4.37 0.02 A 53 VAL HB H 1 1.73 0.02 A 53 VAL HG1% H 1 0.80 0.02 A 53 VAL HG2% H 1 0.80 0.02 A 53 VAL CA C 13 60.63 0.30 A 53 VAL CB C 13 34.23 0.30 A 53 VAL CG1 C 13 22.13 0.30 A 53 VAL CG2 C 13 20.23 0.30 A 53 VAL N N 15 127.01 0.30 A 54 TYR H H 1 8.70 0.02 A 54 TYR HA H 1 5.40 0.02 A 54 TYR HBy H 1 2.70 0.02 A 54 TYR HBx H 1 2.52 0.02 A 54 TYR HD1 H 1 6.64 0.02 A 54 TYR HE1 H 1 6.44 0.02 A 54 TYR CA C 13 57.33 0.30 A 54 TYR CB C 13 41.03 0.30 A 54 TYR N N 15 124.91 0.30 A 55 ARG H H 1 8.87 0.02 A 55 ARG HA H 1 4.64 0.02 A 55 ARG HBy H 1 1.74 0.02 A 55 ARG HBx H 1 1.64 0.02 A 55 ARG HD2 H 1 2.93 0.02 A 55 ARG HGy H 1 1.40 0.02 A 55 ARG HGx H 1 1.30 0.02 A 55 ARG CA C 13 55.43 0.30 A 55 ARG CB C 13 32.83 0.30 A 55 ARG CD C 13 43.23 0.30 A 55 ARG CG C 13 27.03 0.30 A 55 ARG N N 15 123.81 0.30 A 56 ASP H H 1 9.62 0.02 A 56 ASP HA H 1 4.31 0.02 A 56 ASP HBy H 1 2.96 0.02 A 56 ASP HBx H 1 2.76 0.02 A 56 ASP CA C 13 55.83 0.30 A 56 ASP CB C 13 40.13 0.30 A 56 ASP N N 15 129.11 0.30 A 57 GLY H H 1 8.72 0.02 A 57 GLY HAy H 1 4.14 0.02 A 57 GLY HAx H 1 3.53 0.02 A 57 GLY CA C 13 45.63 0.30 A 57 GLY N N 15 104.51 0.30 A 58 ASN H H 1 8.12 0.02 A 58 ASN HA H 1 5.40 0.02 A 58 ASN HBy H 1 2.78 0.02 A 58 ASN HBx H 1 2.68 0.02 A 58 ASN HD21 H 1 7.19 0.02 A 58 ASN HD22 H 1 6.98 0.02 A 58 ASN CA C 13 50.33 0.30 A 58 ASN CB C 13 40.43 0.30 A 58 ASN N N 15 122.21 0.30 A 58 ASN ND2 N 15 116.41 0.30 A 59 PRO HA H 1 3.79 0.02 A 59 PRO HBy H 1 1.56 0.02 A 59 PRO HBx H 1 1.17 0.02 A 59 PRO HDy H 1 3.79 0.02 A 59 PRO HDx H 1 3.76 0.02 A 59 PRO HGy H 1 2.02 0.02 A 59 PRO HGx H 1 1.90 0.02 A 59 PRO CA C 13 62.03 0.30 A 59 PRO CB C 13 33.53 0.30 A 59 PRO CD C 13 50.63 0.30 A 59 PRO CG C 13 26.43 0.30 A 60 TYR H H 1 8.59 0.02 A 60 TYR HA H 1 4.36 0.02 A 60 TYR HBy H 1 3.07 0.02 A 60 TYR HBx H 1 2.45 0.02 A 60 TYR HD2 H 1 6.89 0.02 A 60 TYR HE2 H 1 6.83 0.02 A 60 TYR CA C 13 58.23 0.30 A 60 TYR CB C 13 43.43 0.30 A 60 TYR N N 15 119.81 0.30 A 61 ALA H H 1 8.01 0.02 A 61 ALA HA H 1 4.42 0.02 A 61 ALA HB% H 1 0.17 0.02 A 61 ALA CA C 13 49.33 0.30 A 61 ALA CB C 13 20.33 0.30 A 61 ALA N N 15 123.81 0.30 A 62 VAL H H 1 6.38 0.02 A 62 VAL HA H 1 5.50 0.02 A 62 VAL HB H 1 2.03 0.02 A 62 VAL HG1% H 1 1.30 0.02 A 62 VAL HG2% H 1 1.12 0.02 A 62 VAL CA C 13 61.23 0.30 A 62 VAL CB C 13 36.33 0.30 A 62 VAL CG1 C 13 22.43 0.30 A 62 VAL CG2 C 13 21.73 0.30 A 62 VAL N N 15 120.51 0.30 A 63 CYS H H 1 9.43 0.02 A 63 CYS HA H 1 4.56 0.02 A 63 CYS HBy H 1 3.80 0.02 A 63 CYS HBx H 1 2.62 0.02 A 63 CYS CA C 13 58.43 0.30 A 63 CYS CB C 13 31.13 0.30 A 63 CYS N N 15 130.31 0.30 A 64 ASP H H 1 9.12 0.02 A 64 ASP HA H 1 4.41 0.02 A 64 ASP HBy H 1 2.97 0.02 A 64 ASP HBx H 1 2.64 0.02 A 64 ASP CA C 13 58.23 0.30 A 64 ASP CB C 13 42.33 0.30 A 64 ASP N N 15 121.11 0.30 A 65 LYS H H 1 8.33 0.02 A 65 LYS HA H 1 4.01 0.02 A 65 LYS HBy H 1 2.03 0.02 A 65 LYS HBx H 1 1.97 0.02 A 65 LYS HD2 H 1 1.71 0.02 A 65 LYS HE2 H 1 3.01 0.02 A 65 LYS HGy H 1 1.66 0.02 A 65 LYS HGx H 1 1.44 0.02 A 65 LYS CA C 13 60.13 0.30 A 65 LYS CB C 13 32.83 0.30 A 65 LYS CD C 13 29.43 0.30 A 65 LYS CE C 13 42.23 0.30 A 65 LYS CG C 13 25.53 0.30 A 65 LYS N N 15 122.11 0.30 A 66 CYS H H 1 8.70 0.02 A 66 CYS HA H 1 4.11 0.02 A 66 CYS HBy H 1 3.19 0.02 A 66 CYS HBx H 1 3.09 0.02 A 66 CYS CA C 13 63.53 0.30 A 66 CYS CB C 13 30.73 0.30 A 66 CYS N N 15 125.61 0.30 A 67 LEU H H 1 8.47 0.02 A 67 LEU HA H 1 4.00 0.02 A 67 LEU HBy H 1 1.90 0.02 A 67 LEU HBx H 1 1.59 0.02 A 67 LEU HD1% H 1 0.86 0.02 A 67 LEU HD2% H 1 0.79 0.02 A 67 LEU HG H 1 1.74 0.02 A 67 LEU CA C 13 58.53 0.30 A 67 LEU CB C 13 42.13 0.30 A 67 LEU CD1 C 13 25.13 0.30 A 67 LEU CD2 C 13 24.43 0.30 A 67 LEU CG C 13 27.03 0.30 A 67 LEU N N 15 125.31 0.30 A 68 LYS H H 1 7.81 0.02 A 68 LYS HA H 1 3.98 0.02 A 68 LYS HB3 H 1 1.71 0.02 A 68 LYS HD2 H 1 1.53 0.02 A 68 LYS HE2 H 1 2.84 0.02 A 68 LYS HG2 H 1 1.17 0.02 A 68 LYS CA C 13 58.83 0.30 A 68 LYS CB C 13 32.13 0.30 A 68 LYS CD C 13 29.23 0.30 A 68 LYS CE C 13 42.13 0.30 A 68 LYS CG C 13 24.83 0.30 A 68 LYS N N 15 119.01 0.30 A 69 PHE H H 1 7.81 0.02 A 69 PHE HA H 1 4.28 0.02 A 69 PHE HBy H 1 2.75 0.02 A 69 PHE HBx H 1 2.74 0.02 A 69 PHE HD2 H 1 6.56 0.02 A 69 PHE HE2 H 1 7.09 0.02 A 69 PHE HZ H 1 7.12 0.02 A 69 PHE CA C 13 59.93 0.30 A 69 PHE CB C 13 39.43 0.30 A 69 PHE N N 15 121.71 0.30 A 70 TYR H H 1 8.28 0.02 A 70 TYR HA H 1 4.32 0.02 A 70 TYR HBy H 1 3.15 0.02 A 70 TYR HBx H 1 2.77 0.02 A 70 TYR HD1 H 1 6.97 0.02 A 70 TYR HE1 H 1 6.62 0.02 A 70 TYR CA C 13 60.33 0.30 A 70 TYR CB C 13 40.43 0.30 A 70 TYR N N 15 120.11 0.30 A 71 SER H H 1 7.87 0.02 A 71 SER HA H 1 4.32 0.02 A 71 SER HB2 H 1 3.94 0.02 A 71 SER CA C 13 60.13 0.30 A 71 SER CB C 13 63.63 0.30 A 71 SER N N 15 117.21 0.30 A 72 LYS H H 1 7.80 0.02 A 72 LYS HA H 1 4.27 0.02 A 72 LYS HBy H 1 1.87 0.02 A 72 LYS HBx H 1 1.73 0.02 A 72 LYS HD2 H 1 1.62 0.02 A 72 LYS HE2 H 1 2.93 0.02 A 72 LYS HGy H 1 1.43 0.02 A 72 LYS HGx H 1 1.37 0.02 A 72 LYS CA C 13 56.93 0.30 A 72 LYS CB C 13 32.63 0.30 A 72 LYS CD C 13 29.13 0.30 A 72 LYS CE C 13 42.23 0.30 A 72 LYS CG C 13 24.93 0.30 A 72 LYS N N 15 122.81 0.30 A 73 ILE H H 1 7.75 0.02 A 73 ILE HA H 1 4.11 0.02 A 73 ILE HB H 1 1.90 0.02 A 73 ILE HD1% H 1 0.78 0.02 A 73 ILE HG1y H 1 1.41 0.02 A 73 ILE HG1x H 1 1.13 0.02 A 73 ILE HG2% H 1 0.85 0.02 A 73 ILE CA C 13 61.83 0.30 A 73 ILE CB C 13 38.63 0.30 A 73 ILE CD1 C 13 13.43 0.30 A 73 ILE CG1 C 13 27.63 0.30 A 73 ILE CG2 C 13 17.83 0.30 A 73 ILE N N 15 121.61 0.30 A 74 SER H H 1 8.13 0.02 A 74 SER HA H 1 4.30 0.02 A 74 SER HBy H 1 3.86 0.02 A 74 SER HBx H 1 3.78 0.02 A 74 SER CA C 13 59.33 0.30 A 74 SER CB C 13 63.83 0.30 A 74 SER N N 15 120.41 0.30 A 75 GLU H H 1 8.27 0.02 A 75 GLU HA H 1 4.19 0.02 A 75 GLU HBy H 1 1.94 0.02 A 75 GLU HBx H 1 1.87 0.02 A 75 GLU HGx H 1 2.14 0.02 A 75 GLU HGy H 1 2.16 0.02 A 75 GLU CA C 13 57.33 0.30 A 75 GLU CB C 13 30.13 0.30 A 75 GLU CG C 13 36.43 0.30 A 75 GLU N N 15 123.81 0.30 A 76 TYR H H 1 7.98 0.02 A 76 TYR HA H 1 4.46 0.02 A 76 TYR HBy H 1 2.93 0.02 A 76 TYR HBx H 1 2.91 0.02 A 76 TYR HD2 H 1 6.99 0.02 A 76 TYR HE2 H 1 6.73 0.02 A 76 TYR CA C 13 58.13 0.30 A 76 TYR CB C 13 38.63 0.30 A 76 TYR N N 15 122.41 0.30 A 77 ARG H H 1 7.88 0.02 A 77 ARG HA H 1 4.20 0.02 A 77 ARG HB3 H 1 1.60 0.02 A 77 ARG HD2 H 1 3.08 0.02 A 77 ARG HG2 H 1 1.40 0.02 A 77 ARG CA C 13 56.03 0.30 A 77 ARG CB C 13 31.03 0.30 A 77 ARG CD C 13 43.43 0.30 A 77 ARG CG C 13 27.03 0.30 A 77 ARG N N 15 124.71 0.30 A 78 HIS H H 1 8.12 0.02 A 78 HIS HA H 1 4.51 0.02 A 78 HIS HBy H 1 3.00 0.02 A 78 HIS HBx H 1 2.95 0.02 A 78 HIS HD2 H 1 6.92 0.02 A 78 HIS HE1 H 1 7.83 0.02 A 78 HIS CA C 13 56.33 0.30 A 78 HIS CB C 13 30.83 0.30 A 78 HIS N N 15 122.11 0.30 A 79 TYR H H 1 7.97 0.02 A 79 TYR HA H 1 4.59 0.02 A 79 TYR HBy H 1 3.08 0.02 A 79 TYR HBx H 1 2.87 0.02 A 79 TYR HD1 H 1 7.05 0.02 A 79 TYR HE1 H 1 6.76 0.02 A 79 TYR CA C 13 57.83 0.30 A 79 TYR CB C 13 39.13 0.30 A 79 TYR N N 15 123.61 0.30 A 80 SER H H 1 7.83 0.02 A 80 SER HA H 1 4.20 0.02 A 80 SER HB2 H 1 3.81 0.02 A 80 SER CA C 13 60.23 0.30 A 80 SER CB C 13 65.13 0.30 A 80 SER N N 15 124.41 0.30 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 LEU H A 45 PHE HD% 1.0 1.8 4.88 2 2 A 12 LEU H A 45 PHE HE% 1.0 1.8 4.79 3 3 A 12 LEU H A 11 LYS HA 1.0 1.8 3.26 4 4 A 12 LEU H A 13 PRO HDx 1.0 1.8 4.10 5 5 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.40 6 5 A 12 LEU H A 12 LEU HBx 1.0 1.8 3.40 7 6 A 12 LEU H A 12 LEU HG 1.0 1.8 4.28 8 7 A 12 LEU H A 12 LEU HD2% 1.0 1.8 4.78 9 8 A 12 LEU H A 52 ILE HD1% 1.0 1.8 5.12 10 9 A 38 LEU H A 41 GLU H 1.0 1.8 4.33 11 10 A 38 LEU H A 37 LEU HG 1.0 1.8 4.22 12 11 A 38 LEU H A 41 GLU HBy 1.0 1.8 4.09 13 12 A 38 LEU H A 41 GLU HGy 1.0 1.8 4.97 14 13 A 38 LEU H A 41 GLU HGx 1.0 1.8 4.67 15 14 A 38 LEU H A 41 GLU HBx 1.0 1.8 4.28 16 15 A 38 LEU H A 38 LEU HBy 1.0 1.8 3.54 17 16 A 38 LEU H A 38 LEU HBx 1.0 1.8 3.67 18 17 A 38 LEU H A 37 LEU HBx 1.0 1.8 4.45 19 18 A 38 LEU H A 42 VAL HG2% 1.0 1.8 5.21 20 19 A 38 LEU H A 37 LEU HD2% 1.0 1.8 4.53 21 20 A 62 VAL HB A 63 CYS H 1.0 1.8 4.63 22 21 A 63 CYS H A 62 VAL H 1.0 1.8 4.63 23 22 A 63 CYS H A 62 VAL HA 1.0 1.8 2.93 24 23 A 63 CYS H A 30 CYS HA 1.0 1.8 3.98 25 24 A 63 CYS H A 63 CYS HBy 1.0 1.8 3.86 26 25 A 63 CYS H A 66 CYS HBy 1.0 1.8 4.51 27 26 A 63 CYS H A 66 CYS HBx 1.0 1.8 4.12 28 27 A 63 CYS H A 64 ASP H 1.0 1.8 4.71 29 28 A 63 CYS HBy A 64 ASP H 1.0 1.8 3.30 30 29 A 64 ASP H A 64 ASP HBy 1.0 1.8 3.13 31 30 A 64 ASP H A 64 ASP HBx 1.0 1.8 3.03 32 31 A 41 GLU HGx A 64 ASP H 1.0 1.8 4.83 33 32 A 64 ASP H A 37 LEU HD1% 1.0 1.8 5.16 34 33 A 23 ILE H A 25 ASP H 1.0 1.8 4.60 35 34 A 23 ILE H A 22 THR HA 1.0 1.8 2.98 36 35 A 23 ILE H A 22 THR HB 1.0 1.8 3.10 37 36 A 23 ILE H A 16 CYS HBx 1.0 1.8 4.66 38 37 A 23 ILE H A 23 ILE HB 1.0 1.8 3.15 39 38 A 23 ILE H A 22 THR HG2% 1.0 1.8 3.90 40 39 A 23 ILE H A 23 ILE HG1y 1.0 1.8 3.76 41 40 A 38 LEU HA A 39 ARG H 1.0 1.8 3.58 42 41 A 39 ARG H A 39 ARG HBy 1.0 1.8 4.12 43 42 A 39 ARG H A 39 ARG HBx 1.0 1.8 4.08 44 43 A 38 LEU HBx A 39 ARG H 1.0 1.8 4.60 45 44 A 39 ARG H A 38 LEU HD2% 1.0 1.8 4.31 46 45 A 36 GLN HGx A 37 LEU H 1.0 1.8 4.41 47 46 A 37 LEU HG A 37 LEU H 1.0 1.8 4.72 48 47 A 54 TYR HD% A 55 ARG H 1.0 1.8 4.18 49 48 A 37 LEU H A 36 GLN HA 1.0 1.8 2.90 50 49 A 55 ARG H A 59 PRO HA 1.0 1.8 4.05 51 50 A 55 ARG H A 54 TYR HBx 1.0 1.8 3.86 52 51 A 37 LEU H A 36 GLN HGy 1.0 1.8 4.32 53 52 A 37 LEU H A 37 LEU HBy 1.0 1.8 3.15 54 53 A 37 LEU HBx A 37 LEU H 1.0 1.8 3.27 55 54 A 63 CYS H A 31 VAL H 1.0 1.8 5.33 56 55 A 55 ARG H A 54 TYR H 1.0 1.8 4.49 57 56 A 31 VAL H A 32 TYR H 1.0 1.8 3.69 58 57 A 28 LEU H A 29 GLU H 1.0 1.8 4.41 59 58 A 31 VAL H A 32 TYR HD% 1.0 1.8 4.80 60 59 A 55 ARG H A 60 TYR HD% 1.0 1.8 3.26 61 60 A 30 CYS HA A 31 VAL H 1.0 1.8 3.10 62 61 A 31 VAL H A 31 VAL HG2% 1.0 1.8 4.45 63 62 A 31 VAL H A 31 VAL HG1% 1.0 1.8 3.78 64 63 A 29 GLU H A 29 GLU HBx 1.0 1.8 3.89 65 64 A 29 GLU H A 28 LEU HBx 1.0 1.8 3.68 66 65 A 29 GLU H A 27 ILE HG2% 1.0 1.8 5.07 67 66 A 29 GLU H A 28 LEU HG 1.0 1.8 4.57 68 67 A 57 GLY H A 58 ASN H 1.0 1.8 3.52 69 68 A 57 GLY H A 56 ASP HBy 1.0 1.8 4.55 70 69 A 10 ARG H A 11 LYS H 1.0 1.8 3.54 71 70 A 10 ARG H A 9 PRO HBy 1.0 1.8 4.24 72 71 A 10 ARG H A 9 PRO HA 1.0 1.8 2.77 73 72 A 10 ARG H A 11 LYS HGx 1.0 1.8 4.31 74 73 A 66 CYS H A 67 LEU H 1.0 1.8 3.90 75 74 A 54 TYR HD% A 54 TYR H 1.0 1.8 3.27 76 75 A 54 TYR H A 54 TYR HE% 1.0 1.8 4.41 77 76 A 66 CYS HBx A 66 CYS H 1.0 1.8 3.60 78 77 A 54 TYR H A 54 TYR HBy 1.0 1.8 3.48 79 78 A 54 TYR HBx A 54 TYR H 1.0 1.8 3.66 80 79 A 66 CYS H A 65 LYS HBy 1.0 1.8 3.55 81 80 A 10 ARG H A 9 PRO HBx 1.0 1.8 3.61 82 81 A 54 TYR H A 53 VAL HG1% 1.0 1.8 3.58 83 81 A 54 TYR H A 53 VAL HG2% 1.0 1.8 3.58 84 82 A 59 PRO HA A 54 TYR H 1.0 1.8 4.72 85 83 A 66 CYS HBy A 66 CYS H 1.0 1.8 3.89 86 84 A 23 ILE H A 22 THR H 1.0 1.8 4.73 87 85 A 22 THR H A 21 THR HB 1.0 1.8 3.80 88 86 A 22 THR H A 25 ASP HBy 1.0 1.8 3.74 89 87 A 22 THR H A 26 ILE H 1.0 1.8 4.41 90 88 A 25 ASP H A 22 THR H 1.0 1.8 4.11 91 89 A 22 THR H A 21 THR HA 1.0 1.8 3.09 92 90 A 22 THR H A 25 ASP HBx 1.0 1.8 3.65 93 91 A 22 THR H A 21 THR HG2% 1.0 1.8 3.48 94 92 A 37 LEU H A 36 GLN H 1.0 1.8 4.45 95 93 A 36 GLN H A 29 GLU HA 1.0 1.8 4.51 96 94 A 36 GLN H A 35 GLN HA 1.0 1.8 2.60 97 95 A 36 GLN HGy A 36 GLN H 1.0 1.8 4.49 98 96 A 36 GLN H A 35 GLN HBy 1.0 1.8 3.81 99 97 A 36 GLN H A 36 GLN HBx 1.0 1.8 3.15 100 98 A 39 ARG H A 40 ARG H 1.0 1.8 4.73 101 99 A 40 ARG H A 40 ARG HD2 1.0 1.8 4.22 102 99 A 40 ARG H A 40 ARG HDy 1.0 1.8 4.22 103 100 A 38 LEU HBx A 40 ARG H 1.0 1.8 4.64 104 101 A 38 LEU HD2% A 40 ARG H 1.0 1.8 4.29 105 102 A 41 GLU H A 40 ARG H 1.0 1.8 3.23 106 103 A 32 TYR H A 34 LYS H 1.0 1.8 4.10 107 104 A 32 TYR H A 32 TYR HBy 1.0 1.8 3.61 108 105 A 60 TYR H A 53 VAL HG1% 1.0 1.8 4.77 109 105 A 53 VAL HG2% A 60 TYR H 1.0 1.8 4.77 110 106 A 32 TYR H A 31 VAL HG2% 1.0 1.8 4.65 111 107 A 32 TYR H A 31 VAL HG1% 1.0 1.8 3.71 112 108 A 60 TYR H A 54 TYR HA 1.0 1.8 3.91 113 109 A 60 TYR H A 59 PRO HBx 1.0 1.8 4.01 114 110 A 44 ASP H A 45 PHE H 1.0 1.8 3.37 115 111 A 44 ASP H A 43 TYR H 1.0 1.8 3.39 116 112 A 44 ASP H A 43 TYR HD% 1.0 1.8 4.45 117 113 A 44 ASP H A 42 VAL HA 1.0 1.8 4.42 118 114 A 44 ASP H A 43 TYR HBx 1.0 1.8 3.22 119 114 A 44 ASP H A 43 TYR HB3 1.0 1.8 3.22 120 115 A 44 ASP H A 44 ASP HBy 1.0 1.8 3.03 121 116 A 44 ASP H A 44 ASP HBx 1.0 1.8 3.37 122 117 A 28 LEU H A 42 VAL HG1% 1.0 1.8 4.27 123 118 A 45 PHE H A 47 ARG H 1.0 1.8 4.03 124 119 A 47 ARG H A 46 ALA H 1.0 1.8 3.40 125 120 A 47 ARG H A 47 ARG HGy 1.0 1.8 4.31 126 121 A 28 LEU H A 28 LEU HD1% 1.0 1.8 4.46 127 122 A 51 CYS HA A 52 ILE H 1.0 1.8 3.13 128 123 A 52 ILE H A 51 CYS HBy 1.0 1.8 4.16 129 124 A 52 ILE H A 52 ILE HG1y 1.0 1.8 4.04 130 125 A 52 ILE H A 52 ILE HG1x 1.0 1.8 4.06 131 126 A 6 GLN H A 7 GLU H 1.0 1.8 3.24 132 127 A 6 GLN H A 5 PRO HDy 1.0 1.8 4.13 133 128 A 6 GLN H A 5 PRO HDx 1.0 1.8 3.79 134 129 A 6 GLN H A 5 PRO HBx 1.0 1.8 3.68 135 130 A 3 GLN HA A 4 ASP H 1.0 1.8 2.85 136 131 A 4 ASP H A 4 ASP HBy 1.0 1.8 3.51 137 132 A 4 ASP H A 4 ASP HBx 1.0 1.8 3.16 138 133 A 6 GLN H A 5 PRO HBy 1.0 1.8 4.01 139 134 A 15 LEU H A 16 CYS H 1.0 1.8 3.38 140 135 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.34 141 136 A 16 CYS HBx A 16 CYS H 1.0 1.8 3.60 142 137 A 1 MET H A 1 MET HGy 1.0 1.8 4.90 143 138 A 16 CYS H A 15 LEU HBy 1.0 1.8 3.67 144 139 A 16 CYS H A 15 LEU HBx 1.0 1.8 3.91 145 140 A 16 CYS H A 15 LEU HG 1.0 1.8 3.99 146 141 A 1 MET HA A 2 PHE H 1.0 1.8 2.86 147 142 A 2 PHE H A 2 PHE HBy 1.0 1.8 4.10 148 143 A 1 MET H A 1 MET HBy 1.0 1.8 3.62 149 144 A 1 MET H A 1 MET HBx 1.0 1.8 4.03 150 145 A 1 MET H A 0 ALA HB% 1.0 1.8 4.33 151 146 A 64 ASP H A 65 LYS H 1.0 1.8 3.37 152 147 A 66 CYS H A 65 LYS H 1.0 1.8 3.28 153 148 A 67 LEU H A 65 LYS H 1.0 1.8 4.47 154 149 A 63 CYS HBy A 65 LYS H 1.0 1.8 4.40 155 150 A 64 ASP HBx A 65 LYS H 1.0 1.8 3.32 156 151 A 65 LYS H A 65 LYS HGy 1.0 1.8 3.50 157 152 A 65 LYS H A 65 LYS HGx 1.0 1.8 3.90 158 153 A 45 PHE H A 43 TYR H 1.0 1.8 4.40 159 154 A 45 PHE H A 46 ALA H 1.0 1.8 3.30 160 155 A 45 PHE H A 41 GLU HA 1.0 1.8 5.37 161 156 A 45 PHE H A 45 PHE HBx 1.0 1.8 3.22 162 157 A 45 PHE H A 50 LEU HD2% 1.0 1.8 4.95 163 158 A 33 CYS HBy A 35 GLN H 1.0 1.8 4.57 164 159 A 70 TYR H A 70 TYR HBy 1.0 1.8 3.99 165 160 A 35 GLN H A 35 GLN HBx 1.0 1.8 3.41 166 161 A 37 LEU H A 30 CYS H 1.0 1.8 3.93 167 162 A 36 GLN H A 35 GLN H 1.0 1.8 4.40 168 163 A 29 GLU HA A 30 CYS H 1.0 1.8 3.06 169 164 A 30 CYS H A 30 CYS HBy 1.0 1.8 3.10 170 165 A 35 GLN HBy A 35 GLN H 1.0 1.8 3.28 171 166 A 27 ILE H A 27 ILE HG1x 1.0 1.8 3.86 172 167 A 74 SER HA A 75 GLU H 1.0 1.8 3.35 173 168 A 27 ILE H A 26 ILE HA 1.0 1.8 2.71 174 169 A 27 ILE H A 27 ILE HB 1.0 1.8 3.17 175 170 A 27 ILE H A 26 ILE HG1y 1.0 1.8 3.38 176 171 A 27 ILE H A 26 ILE HG1x 1.0 1.8 3.59 177 172 A 4 ASP H A 3 GLN H 1.0 1.8 4.60 178 173 A 19 LEU H A 21 THR H 1.0 1.8 4.31 179 174 A 3 GLN H A 2 PHE HD% 1.0 1.8 4.81 180 175 A 3 GLN H A 2 PHE HA 1.0 1.8 3.09 181 176 A 21 THR HB A 21 THR H 1.0 1.8 3.53 182 177 A 21 THR H A 16 CYS HA 1.0 1.8 3.90 183 178 A 3 GLN H A 3 GLN HG2 1.0 1.8 3.83 184 178 A 3 GLN H A 3 GLN HGy 1.0 1.8 3.83 185 179 A 3 GLN H A 3 GLN HBy 1.0 1.8 3.76 186 180 A 3 GLN H A 3 GLN HBx 1.0 1.8 3.27 187 181 A 60 TYR H A 53 VAL H 1.0 1.8 3.97 188 182 A 53 VAL H A 52 ILE HA 1.0 1.8 2.96 189 183 A 53 VAL H A 53 VAL HB 1.0 1.8 3.67 190 184 A 55 ARG H A 58 ASN H 1.0 1.8 3.57 191 185 A 58 ASN H A 58 ASN HD21 1.0 1.8 4.59 192 186 A 54 TYR HD% A 58 ASN H 1.0 1.8 4.22 193 187 A 30 CYS HBy A 33 CYS H 1.0 1.8 4.02 194 188 A 32 TYR H A 33 CYS H 1.0 1.8 3.20 195 189 A 35 GLN H A 33 CYS H 1.0 1.8 4.65 196 190 A 34 LYS H A 33 CYS H 1.0 1.8 3.15 197 191 A 33 CYS HBy A 33 CYS H 1.0 1.8 3.83 198 192 A 33 CYS H A 30 CYS HBx 1.0 1.8 3.51 199 193 A 31 VAL HG1% A 33 CYS H 1.0 1.8 5.05 200 194 A 51 CYS HBy A 51 CYS H 1.0 1.8 4.12 201 195 A 51 CYS H A 50 LEU HBx 1.0 1.8 4.27 202 196 A 29 GLU H A 61 ALA H 1.0 1.8 3.90 203 197 A 60 TYR H A 61 ALA H 1.0 1.8 4.68 204 198 A 15 LEU H A 14 GLN H 1.0 1.8 3.35 205 199 A 15 LEU H A 14 GLN HA 1.0 1.8 3.58 206 200 A 61 ALA H A 60 TYR HBy 1.0 1.8 3.46 207 201 A 15 LEU H A 9 PRO HG2 1.0 1.8 4.38 208 201 A 15 LEU H A 9 PRO HGy 1.0 1.8 4.38 209 202 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.33 210 203 A 19 LEU H A 20 GLN H 1.0 1.8 3.06 211 204 A 19 LEU H A 16 CYS HA 1.0 1.8 3.78 212 205 A 18 GLU H A 18 GLU HGx 1.0 1.8 3.50 213 206 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.09 214 207 A 76 TYR H A 76 TYR HD% 1.0 1.8 4.25 215 208 A 78 HIS HBy A 79 TYR H 1.0 1.8 4.71 216 209 A 76 TYR H A 76 TYR HBy 1.0 1.8 3.63 217 210 A 48 ARG HDx A 49 ASP H 1.0 1.8 5.50 218 211 A 47 ARG H A 48 ARG H 1.0 1.8 3.45 219 212 A 48 ARG H A 46 ALA HA 1.0 1.8 3.84 220 213 A 49 ASP H A 49 ASP HBy 1.0 1.8 3.73 221 214 A 49 ASP H A 49 ASP HBx 1.0 1.8 3.66 222 215 A 49 ASP H A 48 ARG HBy 1.0 1.8 3.19 223 216 A 48 ARG H A 46 ALA HB% 1.0 1.8 4.34 224 217 A 49 ASP H A 48 ARG HBx 1.0 1.8 3.39 225 218 A 46 ALA H A 48 ARG H 1.0 1.8 3.98 226 219 A 48 ARG H A 44 ASP HA 1.0 1.8 4.41 227 220 A 48 ARG H A 45 PHE HA 1.0 1.8 4.20 228 221 A 49 ASP H A 48 ARG HDy 1.0 1.8 4.65 229 222 A 7 GLU H A 7 GLU HBy 1.0 1.8 3.15 230 223 A 7 GLU H A 7 GLU HBx 1.0 1.8 3.19 231 224 A 7 GLU H A 8 ARG H 1.0 1.8 3.55 232 225 A 7 GLU H A 6 GLN HA 1.0 1.8 3.19 233 226 A 7 GLU H A 7 GLU HGy 1.0 1.8 4.40 234 227 A 76 TYR HA A 77 ARG H 1.0 1.8 3.36 235 228 A 76 TYR HBy A 77 ARG H 1.0 1.8 4.37 236 229 A 77 ARG H A 77 ARG HG2 1.0 1.8 3.95 237 229 A 77 ARG H A 77 ARG HGy 1.0 1.8 3.95 238 230 A 77 ARG H A 77 ARG HBx 1.0 1.8 3.41 239 230 A 77 ARG H A 77 ARG HB3 1.0 1.8 3.41 240 231 A 20 GLN H A 19 LEU HA 1.0 1.8 3.34 241 232 A 21 THR H A 20 GLN H 1.0 1.8 3.05 242 233 A 34 LYS H A 34 LYS HA 1.0 1.8 2.81 243 234 A 20 GLN H A 20 GLN HA 1.0 1.8 2.60 244 235 A 34 LYS H A 30 CYS HBy 1.0 1.8 3.79 245 236 A 70 TYR HBy A 71 SER H 1.0 1.8 4.50 246 237 A 20 GLN H A 20 GLN HG2 1.0 1.8 3.20 247 237 A 20 GLN H A 20 GLN HGy 1.0 1.8 3.20 248 238 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.69 249 238 A 34 LYS H A 34 LYS HB3 1.0 1.8 3.69 250 239 A 14 GLN HE21 A 11 LYS HD2 1.0 1.8 4.62 251 239 A 11 LYS HDy A 14 GLN HE21 1.0 1.8 4.62 252 240 A 20 GLN H A 19 LEU HBy 1.0 1.8 4.64 253 241 A 34 LYS H A 34 LYS HGx 1.0 1.8 3.99 254 242 A 21 THR HG2% A 20 GLN H 1.0 1.8 4.10 255 243 A 20 GLN H A 19 LEU HD1% 1.0 1.8 4.52 256 244 A 79 TYR HA A 80 SER H 1.0 1.8 2.95 257 245 A 80 SER H A 80 SER HB2 1.0 1.8 3.36 258 245 A 80 SER H A 80 SER HBy 1.0 1.8 3.36 259 246 A 80 SER H A 79 TYR HBx 1.0 1.8 3.90 260 247 A 41 GLU HGx A 42 VAL H 1.0 1.8 4.98 261 248 A 43 TYR H A 42 VAL HB 1.0 1.8 2.92 262 249 A 41 GLU H A 42 VAL H 1.0 1.8 3.00 263 250 A 41 GLU HBy A 42 VAL H 1.0 1.8 4.11 264 251 A 72 LYS H A 73 ILE HG1x 1.0 1.8 4.27 265 252 A 69 PHE H A 69 PHE HE% 1.0 1.8 4.88 266 253 A 11 LYS H A 10 ARG HA 1.0 1.8 3.65 267 254 A 11 LYS H A 9 PRO HA 1.0 1.8 4.41 268 255 A 11 LYS H A 14 GLN HBy 1.0 1.8 4.53 269 256 A 11 LYS H A 9 PRO HBx 1.0 1.8 3.23 270 257 A 67 LEU HBx A 68 LYS H 1.0 1.8 4.08 271 258 A 11 LYS H A 11 LYS HGx 1.0 1.8 4.25 272 259 A 69 PHE H A 68 LYS HG2 1.0 1.8 4.09 273 259 A 69 PHE H A 68 LYS HGy 1.0 1.8 4.09 274 260 A 68 LYS H A 67 LEU HD1% 1.0 1.8 5.19 275 261 A 25 ASP H A 26 ILE H 1.0 1.8 3.04 276 262 A 26 ILE H A 23 ILE HA 1.0 1.8 4.17 277 263 A 26 ILE H A 26 ILE HB 1.0 1.8 3.04 278 264 A 73 ILE H A 73 ILE HG1y 1.0 1.8 4.38 279 265 A 73 ILE HG1x A 73 ILE H 1.0 1.8 3.44 280 266 A 73 ILE H A 73 ILE HG2% 1.0 1.8 3.85 281 267 A 73 ILE H A 73 ILE HD1% 1.0 1.8 4.06 282 268 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.21 283 269 A 46 ALA H A 43 TYR HA 1.0 1.8 4.50 284 270 A 46 ALA H A 45 PHE HBy 1.0 1.8 3.70 285 271 A 36 GLN HGy A 36 GLN HE21 1.0 1.8 3.84 286 272 A 36 GLN HGx A 36 GLN HE21 1.0 1.8 3.53 287 273 A 27 ILE HG2% A 36 GLN HE21 1.0 1.8 3.96 288 274 A 16 CYS H A 17 THR H 1.0 1.8 3.40 289 275 A 17 THR H A 17 THR HB 1.0 1.8 2.88 290 276 A 14 GLN HA A 17 THR H 1.0 1.8 3.49 291 277 A 16 CYS HBx A 17 THR H 1.0 1.8 3.66 292 278 A 18 GLU H A 17 THR H 1.0 1.8 3.24 293 279 A 16 CYS HBy A 17 THR H 1.0 1.8 3.42 294 280 A 43 TYR HD% A 24 HIS HE1 1.0 1.8 4.33 295 281 A 24 HIS HE1 A 43 TYR HE% 1.0 1.8 3.67 296 282 A 24 HIS HE1 A 24 HIS HA 1.0 1.8 4.89 297 283 A 23 ILE HG1y A 24 HIS HE1 1.0 1.8 4.37 298 284 A 24 HIS HE1 A 23 ILE HD1% 1.0 1.8 4.23 299 285 A 8 ARG H A 9 PRO HDy 1.0 1.8 5.07 300 286 A 8 ARG H A 9 PRO HDx 1.0 1.8 4.92 301 287 A 7 GLU HBy A 8 ARG H 1.0 1.8 4.09 302 288 A 35 GLN H A 35 GLN HE21 1.0 1.8 4.84 303 289 A 35 GLN HE21 A 35 GLN HG2 1.0 1.8 3.42 304 289 A 35 GLN HE21 A 35 GLN HGy 1.0 1.8 3.42 305 290 A 20 GLN HE21 A 20 GLN HG2 1.0 1.8 4.01 306 290 A 20 GLN HGy A 20 GLN HE21 1.0 1.8 4.01 307 291 A 3 GLN HE21 A 3 GLN HG2 1.0 1.8 3.72 308 291 A 3 GLN HGy A 3 GLN HE21 1.0 1.8 3.72 309 292 A 2 PHE HA A 2 PHE HE% 1.0 1.8 4.19 310 293 A 9 PRO HDy A 2 PHE HE% 1.0 1.8 4.08 311 294 A 9 PRO HDx A 2 PHE HE% 1.0 1.8 4.88 312 295 A 18 GLU HGx A 2 PHE HE% 1.0 1.8 4.73 313 296 A 62 VAL HB A 45 PHE HZ 1.0 1.8 4.40 314 297 A 2 PHE HE% A 19 LEU HG 1.0 1.8 4.82 315 298 A 2 PHE HE% A 15 LEU HD1% 1.0 1.8 3.98 316 299 A 19 LEU HD1% A 2 PHE HE% 1.0 1.8 4.04 317 300 A 53 VAL H A 45 PHE HZ 1.0 1.8 4.62 318 301 A 62 VAL H A 45 PHE HZ 1.0 1.8 4.20 319 302 A 45 PHE HZ A 61 ALA HA 1.0 1.8 3.63 320 303 A 52 ILE HA A 45 PHE HZ 1.0 1.8 3.53 321 304 A 45 PHE HZ A 62 VAL HG2% 1.0 1.8 4.20 322 305 A 45 PHE HZ A 50 LEU HBy 1.0 1.8 4.51 323 306 A 52 ILE HD1% A 45 PHE HZ 1.0 1.8 4.09 324 307 A 45 PHE HZ A 61 ALA HB% 1.0 1.8 4.33 325 308 A 50 LEU HBx A 45 PHE HZ 1.0 1.8 4.41 326 309 A 45 PHE HZ A 52 ILE HG2% 1.0 1.8 4.97 327 310 A 2 PHE HD% A 8 ARG H 1.0 1.8 4.82 328 311 A 25 ASP H A 25 ASP HBx 1.0 1.8 3.58 329 312 A 25 ASP H A 26 ILE HG2% 1.0 1.8 4.29 330 313 A 2 PHE H A 2 PHE HD% 1.0 1.8 3.91 331 314 A 2 PHE HD% A 2 PHE HA 1.0 1.8 3.17 332 315 A 25 ASP H A 23 ILE HA 1.0 1.8 3.84 333 316 A 2 PHE HD% A 9 PRO HDx 1.0 1.8 4.84 334 317 A 25 ASP H A 24 HIS HBx 1.0 1.8 4.22 335 318 A 2 PHE HD% A 1 MET HE% 1.0 1.8 5.23 336 319 A 2 PHE HD% A 59 PRO HGy 1.0 1.8 4.30 337 320 A 25 ASP H A 26 ILE HB 1.0 1.8 4.10 338 321 A 2 PHE HD% A 19 LEU HG 1.0 1.8 4.35 339 322 A 2 PHE HD% A 8 ARG HBy 1.0 1.8 4.62 340 322 A 2 PHE HD% A 8 ARG HBx 1.0 1.8 4.62 341 323 A 2 PHE HD% A 8 ARG HG2 1.0 1.8 5.09 342 323 A 2 PHE HD% A 8 ARG HGy 1.0 1.8 5.09 343 324 A 25 ASP H A 21 THR HG2% 1.0 1.8 5.27 344 325 A 2 PHE HD% A 19 LEU HD1% 1.0 1.8 5.02 345 326 A 2 PHE HD% A 19 LEU HD2% 1.0 1.8 4.83 346 327 A 45 PHE HD% A 61 ALA HA 1.0 1.8 4.21 347 328 A 45 PHE HD% A 45 PHE H 1.0 1.8 3.69 348 329 A 45 PHE HD% A 62 VAL H 1.0 1.8 3.43 349 330 A 45 PHE HD% A 12 LEU HA 1.0 1.8 4.77 350 331 A 45 PHE HD% A 52 ILE HA 1.0 1.8 5.01 351 332 A 45 PHE HD% A 45 PHE HA 1.0 1.8 3.24 352 333 A 45 PHE HD% A 12 LEU HBy 1.0 1.8 3.52 353 333 A 45 PHE HD% A 12 LEU HBx 1.0 1.8 3.52 354 334 A 45 PHE HD% A 62 VAL HG1% 1.0 1.8 4.21 355 335 A 45 PHE HD% A 50 LEU HD2% 1.0 1.8 3.49 356 336 A 45 PHE HD% A 37 LEU HD2% 1.0 1.8 4.17 357 337 A 45 PHE HD% A 61 ALA HB% 1.0 1.8 3.73 358 338 A 45 PHE HD% A 50 LEU HBx 1.0 1.8 4.39 359 339 A 58 ASN HD21 A 57 GLY HAy 1.0 1.8 4.70 360 340 A 45 PHE HD% A 44 ASP HBy 1.0 1.8 4.22 361 341 A 58 ASN HD21 A 60 TYR HE% 1.0 1.8 4.57 362 342 A 58 ASN HD21 A 58 ASN HBx 1.0 1.8 3.93 363 343 A 19 LEU HG A 2 PHE HZ 1.0 1.8 4.47 364 344 A 15 LEU HD1% A 2 PHE HZ 1.0 1.8 4.08 365 345 A 19 LEU HD1% A 2 PHE HZ 1.0 1.8 3.98 366 346 A 19 LEU HD2% A 2 PHE HZ 1.0 1.8 4.80 367 347 A 69 PHE HZ A 68 LYS HE2 1.0 1.8 4.62 368 347 A 68 LYS HEy A 69 PHE HZ 1.0 1.8 4.62 369 348 A 69 PHE HZ A 66 CYS HA 1.0 1.8 4.91 370 349 A 14 GLN H A 13 PRO HDy 1.0 1.8 4.37 371 350 A 13 PRO HDx A 14 GLN H 1.0 1.8 4.06 372 351 A 14 GLN H A 14 GLN HGx 1.0 1.8 4.22 373 352 A 14 GLN H A 13 PRO HBx 1.0 1.8 3.93 374 353 A 16 CYS H A 14 GLN H 1.0 1.8 4.62 375 354 A 69 PHE HE% A 69 PHE HA 1.0 1.8 4.45 376 355 A 69 PHE HE% A 66 CYS HA 1.0 1.8 4.72 377 356 A 22 THR HB A 24 HIS HD2 1.0 1.8 2.91 378 357 A 24 HIS HD2 A 24 HIS HBy 1.0 1.8 3.39 379 358 A 24 HIS HBx A 24 HIS HD2 1.0 1.8 3.15 380 359 A 22 THR HG2% A 24 HIS HD2 1.0 1.8 3.55 381 360 A 45 PHE HE% A 50 LEU HD2% 1.0 1.8 3.41 382 361 A 45 PHE HE% A 62 VAL H 1.0 1.8 3.42 383 362 A 45 PHE HE% A 51 CYS HA 1.0 1.8 4.58 384 363 A 45 PHE HE% A 52 ILE HA 1.0 1.8 3.81 385 364 A 45 PHE HE% A 62 VAL HB 1.0 1.8 3.36 386 365 A 45 PHE HE% A 12 LEU HBy 1.0 1.8 4.04 387 365 A 45 PHE HE% A 12 LEU HBx 1.0 1.8 4.04 388 366 A 45 PHE HE% A 62 VAL HG2% 1.0 1.8 3.56 389 367 A 45 PHE HE% A 52 ILE HD1% 1.0 1.8 3.63 390 368 A 45 PHE HE% A 52 ILE HG2% 1.0 1.8 4.70 391 369 A 45 PHE HE% A 61 ALA HB% 1.0 1.8 3.80 392 370 A 45 PHE HE% A 52 ILE HG1y 1.0 1.8 4.75 393 371 A 77 ARG H A 79 TYR HD% 1.0 1.8 4.72 394 372 A 79 TYR H A 79 TYR HD% 1.0 1.8 4.70 395 373 A 23 ILE H A 24 HIS H 1.0 1.8 3.66 396 374 A 80 SER H A 79 TYR HD% 1.0 1.8 4.35 397 375 A 26 ILE H A 24 HIS H 1.0 1.8 4.39 398 376 A 24 HIS H A 25 ASP HA 1.0 1.8 5.26 399 377 A 79 TYR HA A 79 TYR HD% 1.0 1.8 3.22 400 378 A 22 THR HB A 24 HIS H 1.0 1.8 3.09 401 379 A 79 TYR HD% A 77 ARG HA 1.0 1.8 4.46 402 380 A 24 HIS HBy A 24 HIS H 1.0 1.8 3.52 403 381 A 78 HIS HBy A 79 TYR HD% 1.0 1.8 4.84 404 382 A 79 TYR HD% A 78 HIS HBx 1.0 1.8 4.75 405 383 A 24 HIS HBx A 24 HIS H 1.0 1.8 3.41 406 384 A 23 ILE HB A 24 HIS H 1.0 1.8 4.42 407 385 A 22 THR H A 24 HIS H 1.0 1.8 4.74 408 386 A 76 TYR HD% A 73 ILE HG2% 1.0 1.8 4.01 409 387 A 60 TYR HE% A 58 ASN HD22 1.0 1.8 3.96 410 388 A 70 TYR HA A 70 TYR HD% 1.0 1.8 3.29 411 389 A 76 TYR HD% A 77 ARG HA 1.0 1.8 4.51 412 390 A 73 ILE HG1y A 70 TYR HD% 1.0 1.8 4.58 413 391 A 70 TYR H A 70 TYR HD% 1.0 1.8 4.32 414 392 A 32 TYR HD% A 33 CYS H 1.0 1.8 4.48 415 393 A 43 TYR HD% A 46 ALA HB% 1.0 1.8 4.47 416 394 A 73 ILE HG1x A 70 TYR HD% 1.0 1.8 3.34 417 395 A 43 TYR HD% A 23 ILE HD1% 1.0 1.8 3.25 418 396 A 43 TYR HD% A 43 TYR HA 1.0 1.8 2.59 419 397 A 43 TYR HD% A 40 ARG HA 1.0 1.8 3.00 420 398 A 43 TYR HD% A 42 VAL HB 1.0 1.8 4.60 421 399 A 41 GLU H A 40 ARG HBy 1.0 1.8 4.40 422 400 A 23 ILE HB A 43 TYR HD% 1.0 1.8 3.77 423 401 A 32 TYR HD% A 55 ARG HGy 1.0 1.8 3.33 424 402 A 32 TYR HD% A 31 VAL HG1% 1.0 1.8 3.87 425 403 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.67 426 404 A 41 GLU H A 41 GLU HGy 1.0 1.8 4.20 427 405 A 41 GLU H A 41 GLU HGx 1.0 1.8 3.88 428 406 A 41 GLU H A 41 GLU HBx 1.0 1.8 4.00 429 407 A 41 GLU H A 38 LEU HBy 1.0 1.8 3.69 430 408 A 78 HIS HA A 78 HIS HD2 1.0 1.8 4.15 431 409 A 78 HIS HBy A 78 HIS HD2 1.0 1.8 3.59 432 410 A 78 HIS HBx A 78 HIS HD2 1.0 1.8 3.43 433 411 A 60 TYR HD% A 60 TYR H 1.0 1.8 3.73 434 412 A 60 TYR HD% A 58 ASN H 1.0 1.8 4.60 435 413 A 60 TYR HD% A 61 ALA H 1.0 1.8 3.87 436 414 A 60 TYR HD% A 54 TYR HA 1.0 1.8 3.51 437 415 A 60 TYR HD% A 60 TYR HA 1.0 1.8 3.28 438 416 A 59 PRO HA A 60 TYR HD% 1.0 1.8 4.00 439 417 A 60 TYR HD% A 58 ASN HBy 1.0 1.8 4.09 440 418 A 60 TYR HD% A 29 GLU HG2 1.0 1.8 3.20 441 418 A 60 TYR HD% A 29 GLU HGy 1.0 1.8 3.20 442 419 A 60 TYR HD% A 55 ARG HBy 1.0 1.8 3.71 443 420 A 60 TYR HD% A 29 GLU HBx 1.0 1.8 3.67 444 421 A 60 TYR HD% A 53 VAL HG1% 1.0 1.8 4.62 445 421 A 60 TYR HD% A 53 VAL HG2% 1.0 1.8 4.62 446 422 A 60 TYR HD% A 31 VAL HG2% 1.0 1.8 4.21 447 423 A 60 TYR HD% A 28 LEU HA 1.0 1.8 4.58 448 424 A 30 CYS HA A 60 TYR HD% 1.0 1.8 4.66 449 425 A 60 TYR HD% A 55 ARG HGy 1.0 1.8 5.09 450 426 A 60 TYR HD% A 31 VAL HG1% 1.0 1.8 4.93 451 427 A 27 ILE HG2% A 36 GLN HE22 1.0 1.8 4.23 452 428 A 55 ARG H A 60 TYR HE% 1.0 1.8 3.45 453 429 A 58 ASN H A 60 TYR HE% 1.0 1.8 4.08 454 430 A 3 GLN HA A 3 GLN HE22 1.0 1.8 4.70 455 431 A 60 TYR HE% A 58 ASN HBy 1.0 1.8 3.22 456 432 A 60 TYR HE% A 58 ASN HBx 1.0 1.8 3.52 457 433 A 60 TYR HE% A 29 GLU HG2 1.0 1.8 3.30 458 433 A 60 TYR HE% A 29 GLU HGy 1.0 1.8 3.30 459 434 A 60 TYR HE% A 55 ARG HBy 1.0 1.8 3.44 460 435 A 60 TYR HE% A 55 ARG HBx 1.0 1.8 3.39 461 436 A 31 VAL HG2% A 60 TYR HE% 1.0 1.8 4.61 462 437 A 60 TYR HE% A 55 ARG HA 1.0 1.8 4.62 463 438 A 79 TYR HE% A 77 ARG HBx 1.0 1.8 4.88 464 438 A 77 ARG HB3 A 79 TYR HE% 1.0 1.8 4.88 465 439 A 79 TYR HA A 79 TYR HE% 1.0 1.8 4.55 466 440 A 77 ARG HA A 79 TYR HE% 1.0 1.8 4.82 467 441 A 77 ARG H A 76 TYR HE% 1.0 1.8 4.71 468 442 A 76 TYR HA A 76 TYR HE% 1.0 1.8 4.21 469 443 A 78 HIS HBx A 76 TYR HE% 1.0 1.8 4.17 470 444 A 73 ILE HG2% A 76 TYR HE% 1.0 1.8 4.50 471 445 A 43 TYR HE% A 39 ARG HGy 1.0 1.8 4.39 472 445 A 43 TYR HE% A 39 ARG HGx 1.0 1.8 4.39 473 446 A 23 ILE HB A 43 TYR HE% 1.0 1.8 4.25 474 447 A 43 TYR H A 43 TYR HE% 1.0 1.8 4.46 475 448 A 43 TYR HE% A 40 ARG HA 1.0 1.8 4.11 476 449 A 43 TYR HE% A 23 ILE HD1% 1.0 1.8 3.92 477 450 A 43 TYR HE% A 23 ILE HG2% 1.0 1.8 3.41 478 451 A 54 TYR HD% A 59 PRO HDy 1.0 1.8 5.00 479 452 A 54 TYR HD% A 54 TYR HA 1.0 1.8 3.52 480 453 A 54 TYR HD% A 53 VAL HA 1.0 1.8 3.85 481 454 A 54 TYR HD% A 59 PRO HA 1.0 1.8 3.67 482 455 A 54 TYR HD% A 59 PRO HBy 1.0 1.8 4.72 483 456 A 54 TYR HD% A 52 ILE HG2% 1.0 1.8 4.34 484 457 A 50 LEU HBx A 50 LEU H 1.0 1.8 3.67 485 458 A 54 TYR HD% A 60 TYR H 1.0 1.8 4.74 486 459 A 50 LEU H A 50 LEU HG 1.0 1.8 3.49 487 460 A 54 TYR HD% A 53 VAL HG1% 1.0 1.8 4.34 488 460 A 54 TYR HD% A 53 VAL HG2% 1.0 1.8 4.34 489 461 A 70 TYR HA A 70 TYR HE% 1.0 1.8 4.39 490 462 A 66 CYS HA A 69 PHE HD% 1.0 1.8 4.36 491 463 A 69 PHE HA A 69 PHE HD% 1.0 1.8 3.57 492 464 A 32 TYR HA A 32 TYR HE% 1.0 1.8 4.16 493 465 A 55 ARG HGy A 32 TYR HE% 1.0 1.8 3.53 494 466 A 31 VAL HG1% A 32 TYR HE% 1.0 1.8 4.06 495 467 A 54 TYR HE% A 58 ASN HA 1.0 1.8 4.05 496 468 A 59 PRO HA A 54 TYR HE% 1.0 1.8 3.70 497 469 A 54 TYR HE% A 10 ARG HD2 1.0 1.8 5.05 498 469 A 54 TYR HE% A 10 ARG HDy 1.0 1.8 5.05 499 470 A 54 TYR HE% A 59 PRO HGx 1.0 1.8 4.69 500 471 A 54 TYR HE% A 59 PRO HGy 1.0 1.8 4.37 501 472 A 54 TYR HE% A 59 PRO HBx 1.0 1.8 4.03 502 473 A 54 TYR HE% A 10 ARG HA 1.0 1.8 4.21 503 474 A 54 TYR HE% A 52 ILE HB 1.0 1.8 4.05 504 475 A 62 VAL H A 62 VAL HG1% 1.0 1.8 5.04 505 476 A 36 GLN HGy A 29 GLU HA 1.0 1.8 3.74 506 477 A 77 ARG H A 78 HIS HA 1.0 1.8 4.33 507 478 A 59 PRO HDy A 8 ARG HG2 1.0 1.8 4.80 508 478 A 8 ARG HGy A 59 PRO HDy 1.0 1.8 4.80 509 479 A 45 PHE H A 42 VAL HA 1.0 1.8 3.98 510 480 A 46 ALA H A 47 ARG HD2 1.0 1.8 4.40 511 480 A 46 ALA H A 47 ARG HDy 1.0 1.8 4.40 512 481 A 40 ARG HBy A 40 ARG HD2 1.0 1.8 3.47 513 481 A 40 ARG HDy A 40 ARG HBy 1.0 1.8 3.47 514 482 A 40 ARG HA A 40 ARG HD2 1.0 1.8 4.06 515 482 A 40 ARG HDy A 40 ARG HA 1.0 1.8 4.06 516 483 A 47 ARG HBy A 43 TYR HBx 1.0 1.8 3.63 517 483 A 43 TYR HB3 A 47 ARG HBy 1.0 1.8 3.63 518 484 A 15 LEU H A 16 CYS HBy 1.0 1.8 4.73 519 485 A 43 TYR HBx A 47 ARG HD2 1.0 1.8 2.80 520 485 A 43 TYR HB3 A 47 ARG HD2 1.0 1.8 2.80 521 485 A 47 ARG HDy A 43 TYR HBx 1.0 1.8 2.80 522 485 A 43 TYR HB3 A 47 ARG HDy 1.0 1.8 2.80 523 486 A 47 ARG HBx A 43 TYR HBx 1.0 1.8 4.65 524 486 A 43 TYR HB3 A 47 ARG HBx 1.0 1.8 4.65 525 487 A 22 THR HA A 16 CYS HBy 1.0 1.8 4.72 526 488 A 40 ARG HA A 43 TYR HBx 1.0 1.8 3.71 527 488 A 43 TYR HB3 A 40 ARG HA 1.0 1.8 3.71 528 489 A 30 CYS HA A 60 TYR HBy 1.0 1.8 3.90 529 490 A 66 CYS HBx A 62 VAL HG1% 1.0 1.8 4.09 530 491 A 31 VAL HG2% A 60 TYR HBy 1.0 1.8 3.36 531 492 A 65 LYS HA A 65 LYS HE2 1.0 1.8 4.46 532 492 A 65 LYS HA A 65 LYS HEy 1.0 1.8 4.46 533 493 A 65 LYS HBy A 65 LYS HE2 1.0 1.8 4.16 534 493 A 65 LYS HBy A 65 LYS HEy 1.0 1.8 4.16 535 494 A 51 CYS HBy A 53 VAL HG1% 1.0 1.8 4.72 536 494 A 53 VAL HG2% A 51 CYS HBy 1.0 1.8 4.72 537 495 A 55 ARG HA A 55 ARG HD2 1.0 1.8 4.64 538 495 A 55 ARG HA A 55 ARG HDy 1.0 1.8 4.64 539 496 A 73 ILE HG2% A 76 TYR HBx 1.0 1.8 4.43 540 497 A 52 ILE H A 51 CYS HBx 1.0 1.8 4.30 541 498 A 45 PHE H A 44 ASP HBy 1.0 1.8 3.92 542 499 A 69 PHE HE% A 68 LYS HE2 1.0 1.8 4.79 543 499 A 69 PHE HE% A 68 LYS HEy 1.0 1.8 4.79 544 500 A 69 PHE H A 69 PHE HBy 1.0 1.8 3.79 545 501 A 57 GLY HAy A 56 ASP HBx 1.0 1.8 4.71 546 502 A 32 TYR HA A 34 LYS HE2 1.0 1.8 4.81 547 502 A 32 TYR HA A 34 LYS HEy 1.0 1.8 4.81 548 503 A 70 TYR H A 69 PHE HBx 1.0 1.8 4.38 549 504 A 66 CYS HA A 69 PHE HBx 1.0 1.8 3.93 550 505 A 44 ASP HBx A 41 GLU HA 1.0 1.8 4.03 551 506 A 45 PHE H A 44 ASP HBx 1.0 1.8 3.98 552 507 A 58 ASN H A 58 ASN HBx 1.0 1.8 3.75 553 508 A 22 THR HA A 16 CYS HBx 1.0 1.8 3.90 554 509 A 25 ASP HBy A 21 THR HG2% 1.0 1.8 4.39 555 510 A 22 THR HB A 25 ASP HBy 1.0 1.8 4.56 556 511 A 62 VAL HA A 63 CYS HBx 1.0 1.8 4.21 557 512 A 31 VAL H A 30 CYS HBx 1.0 1.8 4.61 558 513 A 30 CYS H A 30 CYS HBx 1.0 1.8 3.37 559 514 A 14 GLN H A 14 GLN HGy 1.0 1.8 4.41 560 515 A 14 GLN HA A 14 GLN HGx 1.0 1.8 3.50 561 516 A 25 ASP HBx A 26 ILE HA 1.0 1.8 4.16 562 517 A 31 VAL HG2% A 60 TYR HBx 1.0 1.8 4.58 563 518 A 41 GLU HGy A 40 ARG H 1.0 1.8 4.75 564 519 A 41 GLU HGy A 41 GLU HA 1.0 1.8 3.82 565 520 A 41 GLU HGy A 38 LEU HD2% 1.0 1.8 5.02 566 521 A 41 GLU HGy A 37 LEU HD2% 1.0 1.8 5.20 567 522 A 1 MET HGy A 1 MET HA 1.0 1.8 4.08 568 523 A 14 GLN H A 13 PRO HBy 1.0 1.8 4.02 569 524 A 36 GLN HA A 36 GLN HGy 1.0 1.8 3.95 570 525 A 15 LEU H A 14 GLN HBy 1.0 1.8 4.06 571 526 A 6 GLN HA A 6 GLN HG2 1.0 1.8 3.49 572 526 A 6 GLN HA A 6 GLN HGy 1.0 1.8 3.49 573 527 A 18 GLU HGx A 18 GLU HA 1.0 1.8 3.50 574 528 A 21 THR H A 20 GLN HBy 1.0 1.8 4.03 575 529 A 41 GLU HGx A 41 GLU HA 1.0 1.8 4.07 576 530 A 1 MET HE% A 1 MET HGx 1.0 1.8 3.59 577 531 A 41 GLU HGx A 38 LEU HBx 1.0 1.8 4.43 578 532 A 14 GLN H A 13 PRO HG2 1.0 1.8 4.57 579 532 A 14 GLN H A 13 PRO HGy 1.0 1.8 4.57 580 533 A 36 GLN HGx A 36 GLN HA 1.0 1.8 3.61 581 534 A 3 GLN HA A 3 GLN HG2 1.0 1.8 3.52 582 534 A 3 GLN HA A 3 GLN HGy 1.0 1.8 3.52 583 535 A 18 GLU HBy A 15 LEU HA 1.0 1.8 4.25 584 536 A 75 GLU HA A 75 GLU HGy 1.0 1.8 3.83 585 537 A 42 VAL HB A 39 ARG HA 1.0 1.8 3.70 586 538 A 19 LEU H A 18 GLU HBx 1.0 1.8 3.04 587 539 A 15 LEU HA A 18 GLU HBx 1.0 1.8 4.34 588 540 A 11 LYS HBy A 11 LYS HD2 1.0 1.8 3.23 589 540 A 11 LYS HDy A 11 LYS HBy 1.0 1.8 3.23 590 541 A 13 PRO HDx A 11 LYS HBy 1.0 1.8 4.70 591 542 A 14 GLN H A 14 GLN HBx 1.0 1.8 3.52 592 543 A 34 LYS HA A 34 LYS HBx 1.0 1.8 2.81 593 543 A 34 LYS HA A 34 LYS HB3 1.0 1.8 2.81 594 544 A 6 GLN HBy A 6 GLN HE21 1.0 1.8 4.79 595 545 A 10 ARG HBy A 10 ARG HD2 1.0 1.8 3.71 596 545 A 10 ARG HDy A 10 ARG HBy 1.0 1.8 3.71 597 546 A 47 ARG HBx A 48 ARG HGx 1.0 1.8 3.45 598 547 A 59 PRO HGx A 8 ARG HBy 1.0 1.8 3.14 599 547 A 8 ARG HBx A 59 PRO HGx 1.0 1.8 3.14 600 548 A 1 MET HGy A 1 MET HE% 1.0 1.8 3.84 601 549 A 59 PRO HGx A 8 ARG HG2 1.0 1.8 3.22 602 549 A 8 ARG HGy A 59 PRO HGx 1.0 1.8 3.22 603 550 A 6 GLN H A 5 PRO HGy 1.0 1.8 3.41 604 551 A 36 GLN HE21 A 36 GLN HBy 1.0 1.8 4.43 605 552 A 65 LYS H A 65 LYS HBx 1.0 1.8 3.55 606 553 A 29 GLU H A 29 GLU HG2 1.0 1.8 3.12 607 553 A 29 GLU H A 29 GLU HGy 1.0 1.8 3.12 608 554 A 30 CYS H A 29 GLU HG2 1.0 1.8 3.49 609 554 A 30 CYS H A 29 GLU HGy 1.0 1.8 3.49 610 555 A 29 GLU HA A 29 GLU HBy 1.0 1.8 2.87 611 556 A 60 TYR HBy A 29 GLU HG2 1.0 1.8 4.19 612 556 A 60 TYR HBy A 29 GLU HGy 1.0 1.8 4.19 613 557 A 37 LEU HD1% A 29 GLU HG2 1.0 1.8 4.60 614 557 A 37 LEU HD1% A 29 GLU HGy 1.0 1.8 4.60 615 558 A 68 LYS H A 67 LEU HBy 1.0 1.8 3.85 616 559 A 67 LEU HBy A 64 ASP HA 1.0 1.8 3.37 617 560 A 15 LEU HA A 9 PRO HG2 1.0 1.8 3.27 618 560 A 9 PRO HGy A 15 LEU HA 1.0 1.8 3.27 619 561 A 39 ARG HGy A 43 TYR HBx 1.0 1.8 4.51 620 561 A 43 TYR HB3 A 39 ARG HGy 1.0 1.8 4.51 621 561 A 43 TYR HB3 A 39 ARG HGx 1.0 1.8 4.51 622 561 A 39 ARG HGx A 43 TYR HBx 1.0 1.8 4.51 623 562 A 73 ILE H A 72 LYS HBy 1.0 1.8 3.71 624 563 A 38 LEU HA A 38 LEU HG 1.0 1.8 3.72 625 564 A 10 ARG HBx A 10 ARG HD2 1.0 1.8 3.46 626 564 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 3.46 627 565 A 39 ARG HBx A 40 ARG H 1.0 1.8 4.08 628 566 A 11 LYS HA A 12 LEU HBy 1.0 1.8 4.39 629 566 A 11 LYS HA A 12 LEU HBx 1.0 1.8 4.39 630 567 A 21 THR HG2% A 26 ILE HB 1.0 1.8 3.38 631 568 A 46 ALA HA A 12 LEU HBy 1.0 1.8 4.55 632 568 A 12 LEU HBx A 46 ALA HA 1.0 1.8 4.55 633 569 A 48 ARG HA A 48 ARG HGy 1.0 1.8 3.47 634 570 A 48 ARG HBy A 50 LEU H 1.0 1.8 4.54 635 571 A 52 ILE H A 52 ILE HB 1.0 1.8 3.38 636 572 A 52 ILE HD1% A 52 ILE HB 1.0 1.8 4.13 637 573 A 19 LEU HA A 19 LEU HG 1.0 1.8 2.97 638 574 A 11 LYS HA A 11 LYS HD2 1.0 1.8 3.63 639 574 A 11 LYS HA A 11 LYS HDy 1.0 1.8 3.63 640 575 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.51 641 576 A 40 ARG H A 40 ARG HBx 1.0 1.8 3.37 642 577 A 40 ARG HBx A 40 ARG HD2 1.0 1.8 3.28 643 577 A 40 ARG HDy A 40 ARG HBx 1.0 1.8 3.28 644 578 A 67 LEU H A 67 LEU HG 1.0 1.8 3.81 645 579 A 9 PRO HBx A 15 LEU H 1.0 1.8 4.45 646 580 A 40 ARG H A 40 ARG HG2 1.0 1.8 3.64 647 580 A 40 ARG H A 40 ARG HGy 1.0 1.8 3.64 648 581 A 47 ARG HGy A 43 TYR HBx 1.0 1.8 3.86 649 581 A 43 TYR HB3 A 47 ARG HGy 1.0 1.8 3.86 650 582 A 38 LEU HD2% A 40 ARG HG2 1.0 1.8 4.64 651 582 A 38 LEU HD2% A 40 ARG HGy 1.0 1.8 4.64 652 583 A 40 ARG HA A 40 ARG HG2 1.0 1.8 3.73 653 583 A 40 ARG HA A 40 ARG HGy 1.0 1.8 3.73 654 584 A 22 THR HB A 23 ILE HB 1.0 1.8 4.20 655 585 A 21 THR HB A 19 LEU HBy 1.0 1.8 4.42 656 586 A 47 ARG H A 46 ALA HB% 1.0 1.8 3.45 657 587 A 47 ARG HA A 47 ARG HGx 1.0 1.8 3.73 658 588 A 46 ALA HB% A 43 TYR HA 1.0 1.8 3.81 659 589 A 46 ALA HB% A 13 PRO HDy 1.0 1.8 4.35 660 590 A 46 ALA HB% A 13 PRO HBx 1.0 1.8 3.17 661 591 A 55 ARG HBx A 55 ARG HD2 1.0 1.8 3.16 662 591 A 55 ARG HBx A 55 ARG HDy 1.0 1.8 3.16 663 592 A 19 LEU H A 19 LEU HBx 1.0 1.8 3.42 664 593 A 34 LYS H A 34 LYS HDy 1.0 1.8 3.67 665 594 A 34 LYS HA A 34 LYS HDy 1.0 1.8 3.14 666 595 A 16 CYS HA A 19 LEU HBx 1.0 1.8 4.00 667 596 A 21 THR HG2% A 19 LEU HBx 1.0 1.8 3.78 668 597 A 67 LEU HBx A 64 ASP HA 1.0 1.8 3.92 669 598 A 41 GLU H A 38 LEU HBx 1.0 1.8 4.10 670 599 A 38 LEU HBx A 37 LEU HA 1.0 1.8 4.73 671 600 A 54 TYR HE% A 59 PRO HBy 1.0 1.8 4.04 672 601 A 48 ARG HBx A 48 ARG HDy 1.0 1.8 3.90 673 602 A 50 LEU HD2% A 48 ARG HBx 1.0 1.8 4.85 674 603 A 54 TYR HE% A 8 ARG HBy 1.0 1.8 4.33 675 603 A 54 TYR HE% A 8 ARG HBx 1.0 1.8 4.33 676 604 A 9 PRO HDx A 8 ARG HBy 1.0 1.8 4.02 677 604 A 9 PRO HDx A 8 ARG HBx 1.0 1.8 4.02 678 605 A 27 ILE HB A 27 ILE HG1y 1.0 1.8 2.78 679 606 A 34 LYS HA A 34 LYS HDx 1.0 1.8 3.87 680 607 A 72 LYS HA A 72 LYS HGy 1.0 1.8 3.99 681 608 A 37 LEU HG A 63 CYS HA 1.0 1.8 3.71 682 609 A 37 LEU HG A 37 LEU HA 1.0 1.8 3.43 683 610 A 37 LEU HG A 64 ASP H 1.0 1.8 4.82 684 611 A 65 LYS HGx A 65 LYS HE2 1.0 1.8 3.84 685 611 A 65 LYS HGx A 65 LYS HEy 1.0 1.8 3.84 686 612 A 37 LEU HG A 63 CYS HBx 1.0 1.8 4.21 687 613 A 37 LEU HG A 41 GLU HBy 1.0 1.8 4.14 688 614 A 60 TYR HE% A 55 ARG HGx 1.0 1.8 4.92 689 615 A 31 VAL HG2% A 55 ARG HGx 1.0 1.8 4.78 690 616 A 51 CYS HA A 52 ILE HG1y 1.0 1.8 4.91 691 617 A 31 VAL HG2% A 55 ARG HGy 1.0 1.8 4.63 692 618 A 55 ARG HGy A 32 TYR HA 1.0 1.8 4.24 693 619 A 66 CYS HBy A 62 VAL HG1% 1.0 1.8 4.12 694 620 A 62 VAL HG1% A 67 LEU HG 1.0 1.8 3.82 695 621 A 62 VAL HG1% A 53 VAL HG1% 1.0 1.8 3.87 696 621 A 53 VAL HG2% A 62 VAL HG1% 1.0 1.8 3.87 697 622 A 62 VAL HA A 62 VAL HG1% 1.0 1.8 3.44 698 623 A 34 LYS HGy A 34 LYS HE2 1.0 1.8 4.05 699 623 A 34 LYS HEy A 34 LYS HGy 1.0 1.8 4.05 700 624 A 59 PRO HDx A 8 ARG HG2 1.0 1.8 4.75 701 624 A 8 ARG HGy A 59 PRO HDx 1.0 1.8 4.75 702 625 A 59 PRO HGy A 8 ARG HG2 1.0 1.8 3.57 703 625 A 59 PRO HGy A 8 ARG HGy 1.0 1.8 3.57 704 626 A 9 PRO HDy A 8 ARG HG2 1.0 1.8 4.72 705 626 A 9 PRO HDy A 8 ARG HGy 1.0 1.8 4.72 706 627 A 22 THR HG2% A 16 CYS HBy 1.0 1.8 3.92 707 628 A 34 LYS H A 34 LYS HGy 1.0 1.8 4.19 708 629 A 17 THR H A 17 THR HG2% 1.0 1.8 3.66 709 630 A 22 THR HA A 22 THR HG2% 1.0 1.8 3.09 710 631 A 17 THR HG2% A 17 THR HA 1.0 1.8 2.93 711 632 A 22 THR HG2% A 43 TYR HE% 1.0 1.8 4.83 712 633 A 28 LEU HG A 28 LEU HA 1.0 1.8 3.72 713 634 A 9 PRO HDx A 8 ARG HBy 1.0 1.8 4.13 714 634 A 9 PRO HDx A 8 ARG HBx 1.0 1.8 4.13 715 635 A 8 ARG H A 8 ARG HBy 1.0 1.8 3.74 716 635 A 8 ARG H A 8 ARG HBx 1.0 1.8 3.74 717 636 A 54 TYR HE% A 8 ARG HBy 1.0 1.8 4.56 718 636 A 54 TYR HE% A 8 ARG HBx 1.0 1.8 4.56 719 637 A 28 LEU HG A 61 ALA HB% 1.0 1.8 4.83 720 638 A 34 LYS HA A 34 LYS HGx 1.0 1.8 3.74 721 639 A 34 LYS HGx A 34 LYS HE2 1.0 1.8 4.04 722 639 A 34 LYS HGx A 34 LYS HEy 1.0 1.8 4.04 723 640 A 27 ILE HG1x A 27 ILE HA 1.0 1.8 3.68 724 641 A 23 ILE HG1y A 23 ILE HA 1.0 1.8 3.17 725 642 A 23 ILE HG1y A 43 TYR HE% 1.0 1.8 5.02 726 643 A 61 ALA HA A 62 VAL HG2% 1.0 1.8 3.97 727 644 A 21 THR HG2% A 21 THR H 1.0 1.8 3.20 728 645 A 21 THR HG2% A 19 LEU H 1.0 1.8 4.03 729 646 A 62 VAL H A 62 VAL HG2% 1.0 1.8 4.12 730 647 A 21 THR HA A 21 THR HG2% 1.0 1.8 3.65 731 648 A 21 THR HG2% A 19 LEU HA 1.0 1.8 4.06 732 649 A 52 ILE HA A 62 VAL HG2% 1.0 1.8 3.71 733 650 A 21 THR HG2% A 26 ILE HA 1.0 1.8 3.50 734 651 A 21 THR HG2% A 16 CYS HA 1.0 1.8 3.09 735 652 A 16 CYS HBx A 21 THR HG2% 1.0 1.8 4.13 736 653 A 28 LEU H A 28 LEU HBx 1.0 1.8 4.16 737 654 A 16 CYS H A 12 LEU HD1% 1.0 1.8 4.76 738 655 A 45 PHE HBy A 12 LEU HD1% 1.0 1.8 4.34 739 656 A 12 LEU H A 12 LEU HD1% 1.0 1.8 4.67 740 657 A 45 PHE HD% A 12 LEU HD1% 1.0 1.8 3.81 741 658 A 45 PHE HE% A 12 LEU HD1% 1.0 1.8 4.81 742 659 A 41 GLU H A 38 LEU HD2% 1.0 1.8 4.33 743 660 A 61 ALA HA A 12 LEU HD1% 1.0 1.8 4.87 744 661 A 12 LEU HA A 12 LEU HD1% 1.0 1.8 3.30 745 662 A 38 LEU HD2% A 40 ARG HD2 1.0 1.8 3.93 746 662 A 38 LEU HD2% A 40 ARG HDy 1.0 1.8 3.93 747 663 A 41 GLU HGx A 38 LEU HD1% 1.0 1.8 4.81 748 664 A 15 LEU HBy A 12 LEU HD1% 1.0 1.8 4.15 749 665 A 38 LEU HBy A 38 LEU HD2% 1.0 1.8 3.18 750 666 A 38 LEU HBx A 38 LEU HD1% 1.0 1.8 3.30 751 667 A 23 ILE HD1% A 12 LEU HD1% 1.0 1.8 3.46 752 668 A 38 LEU H A 38 LEU HD1% 1.0 1.8 3.68 753 669 A 38 LEU HA A 38 LEU HD2% 1.0 1.8 2.86 754 670 A 15 LEU HD1% A 15 LEU HA 1.0 1.8 3.19 755 671 A 15 LEU HD1% A 8 ARG HBy 1.0 1.8 3.24 756 671 A 15 LEU HD1% A 8 ARG HBx 1.0 1.8 3.24 757 672 A 15 LEU HBx A 15 LEU HD2% 1.0 1.8 3.86 758 673 A 12 LEU HD2% A 12 LEU HA 1.0 1.8 3.78 759 674 A 9 PRO HDy A 15 LEU HD1% 1.0 1.8 3.94 760 675 A 18 GLU HBy A 15 LEU HD1% 1.0 1.8 4.48 761 676 A 15 LEU HD1% A 9 PRO HG2 1.0 1.8 3.41 762 676 A 9 PRO HGy A 15 LEU HD1% 1.0 1.8 3.41 763 677 A 59 PRO HBx A 15 LEU HD2% 1.0 1.8 3.57 764 678 A 12 LEU HD2% A 23 ILE HD1% 1.0 1.8 2.90 765 679 A 52 ILE HG2% A 15 LEU HD2% 1.0 1.8 4.36 766 680 A 12 LEU HD2% A 61 ALA HB% 1.0 1.8 4.82 767 681 A 12 LEU HD2% A 46 ALA H 1.0 1.8 4.08 768 682 A 45 PHE HD% A 12 LEU HD2% 1.0 1.8 3.59 769 683 A 45 PHE HE% A 12 LEU HD2% 1.0 1.8 4.99 770 684 A 12 LEU HD2% A 46 ALA HA 1.0 1.8 4.43 771 685 A 12 LEU HD2% A 45 PHE HBy 1.0 1.8 4.54 772 686 A 12 LEU HD2% A 42 VAL HA 1.0 1.8 4.09 773 687 A 67 LEU H A 67 LEU HD1% 1.0 1.8 4.68 774 688 A 67 LEU HD1% A 64 ASP HA 1.0 1.8 3.42 775 689 A 67 LEU HD1% A 67 LEU HA 1.0 1.8 3.37 776 690 A 16 CYS HA A 19 LEU HD1% 1.0 1.8 4.51 777 691 A 18 GLU HGx A 19 LEU HD1% 1.0 1.8 4.50 778 692 A 18 GLU HBy A 19 LEU HD1% 1.0 1.8 4.53 779 693 A 19 LEU HBy A 19 LEU HD1% 1.0 1.8 3.50 780 694 A 67 LEU HBx A 67 LEU HD1% 1.0 1.8 3.25 781 695 A 67 LEU HD1% A 62 VAL HG1% 1.0 1.8 3.89 782 696 A 73 ILE HG1x A 73 ILE HG2% 1.0 1.8 3.30 783 697 A 15 LEU HG A 19 LEU HD1% 1.0 1.8 3.23 784 698 A 73 ILE HG2% A 74 SER H 1.0 1.8 4.81 785 699 A 73 ILE HG1y A 73 ILE HG2% 1.0 1.8 4.12 786 700 A 19 LEU H A 19 LEU HD2% 1.0 1.8 3.81 787 701 A 19 LEU HA A 19 LEU HD2% 1.0 1.8 3.66 788 702 A 26 ILE HG1y A 19 LEU HD2% 1.0 1.8 3.36 789 703 A 27 ILE H A 19 LEU HD2% 1.0 1.8 4.60 790 704 A 2 PHE HE% A 19 LEU HD2% 1.0 1.8 4.39 791 705 A 43 TYR HA A 23 ILE HD1% 1.0 1.8 3.13 792 706 A 23 ILE HA A 23 ILE HD1% 1.0 1.8 3.56 793 707 A 62 VAL HB A 53 VAL HG1% 1.0 1.8 3.88 794 707 A 62 VAL HB A 53 VAL HG2% 1.0 1.8 3.88 795 708 A 12 LEU HG A 23 ILE HD1% 1.0 1.8 2.98 796 709 A 62 VAL HG2% A 53 VAL HG1% 1.0 1.8 3.06 797 709 A 53 VAL HG2% A 62 VAL HG2% 1.0 1.8 3.06 798 710 A 31 VAL HG2% A 53 VAL HG1% 1.0 1.8 3.77 799 710 A 31 VAL HG2% A 53 VAL HG2% 1.0 1.8 3.77 800 711 A 53 VAL H A 53 VAL HG1% 1.0 1.8 3.51 801 711 A 53 VAL HG2% A 53 VAL H 1.0 1.8 3.51 802 712 A 46 ALA H A 23 ILE HD1% 1.0 1.8 4.22 803 713 A 45 PHE HE% A 53 VAL HG1% 1.0 1.8 4.10 804 713 A 45 PHE HE% A 53 VAL HG2% 1.0 1.8 4.10 805 714 A 53 VAL HA A 53 VAL HG1% 1.0 1.8 3.10 806 714 A 53 VAL HG2% A 53 VAL HA 1.0 1.8 3.10 807 715 A 52 ILE HA A 53 VAL HG1% 1.0 1.8 3.13 808 715 A 53 VAL HG2% A 52 ILE HA 1.0 1.8 3.13 809 716 A 60 TYR HBy A 53 VAL HG1% 1.0 1.8 3.74 810 716 A 53 VAL HG2% A 60 TYR HBy 1.0 1.8 3.74 811 717 A 60 TYR HBx A 53 VAL HG1% 1.0 1.8 3.94 812 717 A 53 VAL HG2% A 60 TYR HBx 1.0 1.8 3.94 813 718 A 62 VAL HG1% A 67 LEU HD2% 1.0 1.8 4.01 814 719 A 31 VAL HG1% A 53 VAL HG1% 1.0 1.8 3.59 815 719 A 31 VAL HG1% A 53 VAL HG2% 1.0 1.8 3.59 816 720 A 42 VAL HG2% A 42 VAL H 1.0 1.8 2.98 817 721 A 42 VAL HG2% A 39 ARG HA 1.0 1.8 3.59 818 722 A 42 VAL HA A 42 VAL HG1% 1.0 1.8 2.86 819 723 A 73 ILE HD1% A 70 TYR HE% 1.0 1.8 4.57 820 724 A 73 ILE HD1% A 73 ILE HA 1.0 1.8 3.89 821 725 A 73 ILE HD1% A 73 ILE HB 1.0 1.8 3.58 822 726 A 27 ILE HA A 27 ILE HD1% 1.0 1.8 3.27 823 727 A 27 ILE HB A 27 ILE HD1% 1.0 1.8 3.42 824 728 A 23 ILE H A 26 ILE HG2% 1.0 1.8 5.04 825 729 A 27 ILE H A 26 ILE HG2% 1.0 1.8 4.04 826 730 A 26 ILE HA A 26 ILE HG2% 1.0 1.8 3.58 827 731 A 23 ILE HA A 26 ILE HG2% 1.0 1.8 3.16 828 732 A 37 LEU H A 27 ILE HG2% 1.0 1.8 4.87 829 733 A 28 LEU H A 27 ILE HG2% 1.0 1.8 3.53 830 734 A 27 ILE HG2% A 27 ILE H 1.0 1.8 3.62 831 735 A 27 ILE HG2% A 27 ILE HA 1.0 1.8 3.15 832 736 A 15 LEU HG A 15 LEU HA 1.0 1.8 3.78 833 737 A 36 GLN HGy A 27 ILE HG2% 1.0 1.8 3.72 834 738 A 27 ILE HG2% A 27 ILE HG1x 1.0 1.8 3.20 835 739 A 19 LEU HD2% A 26 ILE HD1% 1.0 1.8 2.82 836 740 A 45 PHE HA A 50 LEU HD1% 1.0 1.8 3.50 837 741 A 15 LEU HG A 16 CYS HA 1.0 1.8 3.42 838 742 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 3.27 839 743 A 49 ASP H A 50 LEU HD1% 1.0 1.8 4.80 840 744 A 50 LEU H A 50 LEU HD1% 1.0 1.8 3.82 841 745 A 50 LEU HD1% A 50 LEU HA 1.0 1.8 2.96 842 746 A 48 ARG HDy A 50 LEU HD1% 1.0 1.8 4.73 843 747 A 48 ARG HDx A 50 LEU HD1% 1.0 1.8 4.58 844 748 A 50 LEU HBx A 50 LEU HD1% 1.0 1.8 3.78 845 749 A 50 LEU HD2% A 49 ASP H 1.0 1.8 4.94 846 750 A 24 HIS HE1 A 23 ILE HG2% 1.0 1.8 4.32 847 751 A 50 LEU HD2% A 45 PHE HZ 1.0 1.8 4.55 848 752 A 43 TYR HD% A 23 ILE HG2% 1.0 1.8 3.94 849 753 A 50 LEU HD2% A 50 LEU H 1.0 1.8 4.05 850 754 A 62 VAL H A 50 LEU HD2% 1.0 1.8 4.80 851 755 A 43 TYR HA A 23 ILE HG2% 1.0 1.8 3.61 852 756 A 50 LEU HD2% A 50 LEU HA 1.0 1.8 4.21 853 757 A 50 LEU HD2% A 45 PHE HA 1.0 1.8 3.46 854 758 A 23 ILE HA A 23 ILE HG2% 1.0 1.8 3.27 855 759 A 50 LEU HD2% A 48 ARG HDy 1.0 1.8 4.10 856 760 A 50 LEU HD2% A 48 ARG HDx 1.0 1.8 4.12 857 761 A 62 VAL HB A 50 LEU HD2% 1.0 1.8 4.15 858 762 A 50 LEU HD2% A 48 ARG HBy 1.0 1.8 4.27 859 763 A 12 LEU HG A 23 ILE HG2% 1.0 1.8 3.87 860 764 A 28 LEU HD1% A 26 ILE HG1y 1.0 1.8 4.10 861 765 A 28 LEU HD1% A 12 LEU HD1% 1.0 1.8 4.21 862 766 A 12 LEU HD2% A 23 ILE HG2% 1.0 1.8 4.00 863 767 A 28 LEU HD1% A 26 ILE HG1x 1.0 1.8 3.38 864 768 A 23 ILE HD1% A 23 ILE HG2% 1.0 1.8 2.91 865 769 A 28 LEU HD1% A 26 ILE HD1% 1.0 1.8 2.85 866 770 A 50 LEU HD2% A 50 LEU HBx 1.0 1.8 3.50 867 771 A 28 LEU HBx A 28 LEU HD1% 1.0 1.8 3.49 868 772 A 52 ILE HD1% A 52 ILE H 1.0 1.8 4.37 869 773 A 52 ILE HD1% A 54 TYR HE% 1.0 1.8 5.04 870 774 A 52 ILE HD1% A 61 ALA HA 1.0 1.8 4.11 871 775 A 52 ILE HD1% A 12 LEU HA 1.0 1.8 3.70 872 776 A 52 ILE HD1% A 52 ILE HA 1.0 1.8 3.26 873 777 A 61 ALA H A 28 LEU HD2% 1.0 1.8 4.70 874 778 A 45 PHE HD% A 52 ILE HD1% 1.0 1.8 4.34 875 779 A 12 LEU HG A 28 LEU HD2% 1.0 1.8 4.94 876 780 A 29 GLU H A 28 LEU HD2% 1.0 1.8 4.56 877 781 A 28 LEU H A 28 LEU HD2% 1.0 1.8 4.40 878 782 A 42 VAL HA A 28 LEU HD2% 1.0 1.8 4.17 879 783 A 28 LEU HD2% A 28 LEU HBy 1.0 1.8 3.12 880 784 A 28 LEU HBx A 28 LEU HD2% 1.0 1.8 3.45 881 785 A 12 LEU HD1% A 28 LEU HD2% 1.0 1.8 3.32 882 786 A 42 VAL HG1% A 28 LEU HD2% 1.0 1.8 3.19 883 787 A 26 ILE HD1% A 28 LEU HD2% 1.0 1.8 3.16 884 788 A 61 ALA HB% A 28 LEU HD2% 1.0 1.8 3.38 885 789 A 62 VAL H A 28 LEU HD2% 1.0 1.8 5.03 886 790 A 38 LEU H A 37 LEU HD1% 1.0 1.8 4.64 887 791 A 63 CYS H A 37 LEU HD1% 1.0 1.8 4.19 888 792 A 37 LEU HD1% A 37 LEU H 1.0 1.8 3.37 889 793 A 37 LEU HD1% A 30 CYS H 1.0 1.8 3.72 890 794 A 37 LEU HD1% A 61 ALA H 1.0 1.8 4.72 891 795 A 62 VAL H A 37 LEU HD1% 1.0 1.8 4.29 892 796 A 62 VAL HA A 37 LEU HD1% 1.0 1.8 4.37 893 797 A 37 LEU HD1% A 29 GLU HA 1.0 1.8 3.80 894 798 A 37 LEU HD1% A 63 CYS HA 1.0 1.8 3.71 895 799 A 37 LEU HD1% A 36 GLN HA 1.0 1.8 4.09 896 800 A 37 LEU HD1% A 30 CYS HBy 1.0 1.8 4.07 897 801 A 60 TYR H A 52 ILE HG2% 1.0 1.8 3.86 898 802 A 52 ILE H A 52 ILE HG2% 1.0 1.8 4.44 899 803 A 53 VAL H A 52 ILE HG2% 1.0 1.8 3.55 900 804 A 54 TYR HE% A 52 ILE HG2% 1.0 1.8 3.88 901 805 A 54 TYR HA A 52 ILE HG2% 1.0 1.8 5.02 902 806 A 52 ILE HG2% A 53 VAL HA 1.0 1.8 4.67 903 807 A 52 ILE HA A 52 ILE HG2% 1.0 1.8 3.40 904 808 A 59 PRO HA A 52 ILE HG2% 1.0 1.8 3.56 905 809 A 52 ILE HG2% A 59 PRO HBy 1.0 1.8 3.87 906 810 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.8 3.47 907 811 A 37 LEU HD2% A 42 VAL H 1.0 1.8 4.33 908 812 A 37 LEU HD2% A 61 ALA HA 1.0 1.8 4.87 909 813 A 37 LEU HD2% A 37 LEU HA 1.0 1.8 3.90 910 814 A 37 LEU HD2% A 45 PHE HBy 1.0 1.8 4.63 911 815 A 37 LEU HD2% A 37 LEU HBy 1.0 1.8 3.19 912 816 A 37 LEU HBx A 37 LEU HD2% 1.0 1.8 3.34 913 817 A 42 VAL HG2% A 37 LEU HD2% 1.0 1.8 3.49 914 818 A 37 LEU HD2% A 62 VAL H 1.0 1.8 3.88 915 819 A 37 LEU HD2% A 42 VAL HA 1.0 1.8 3.50 916 820 A 41 GLU HBx A 37 LEU HD2% 1.0 1.8 3.77 917 821 A 61 ALA H A 61 ALA HB% 1.0 1.8 3.75 918 822 A 61 ALA HB% A 60 TYR HA 1.0 1.8 4.44 919 823 A 30 CYS HA A 61 ALA HB% 1.0 1.8 4.51 920 824 A 42 VAL HA A 61 ALA HB% 1.0 1.8 4.84 921 825 A 60 TYR HBy A 61 ALA HB% 1.0 1.8 4.76 922 826 A 62 VAL HB A 61 ALA HB% 1.0 1.8 4.59 923 827 A 61 ALA HB% A 62 VAL HG1% 1.0 1.8 5.49 924 828 A 61 ALA HB% A 12 LEU HD1% 1.0 1.8 5.08 925 829 A 61 ALA HB% A 53 VAL HG1% 1.0 1.8 4.62 926 829 A 53 VAL HG2% A 61 ALA HB% 1.0 1.8 4.62 927 830 A 37 LEU HD2% A 61 ALA HB% 1.0 1.8 3.36 928 831 A 29 GLU H A 61 ALA HB% 1.0 1.8 5.23 929 832 A 62 VAL H A 61 ALA HB% 1.0 1.8 3.00 930 833 A 62 VAL HA A 61 ALA HB% 1.0 1.8 4.73 931 834 A 61 ALA HB% A 28 LEU HBy 1.0 1.8 3.85 932 835 A 28 LEU HBx A 61 ALA HB% 1.0 1.8 4.11 933 836 A 31 VAL HG1% A 32 TYR HA 1.0 1.8 4.36 934 837 A 30 CYS HA A 31 VAL HG1% 1.0 1.8 5.39 935 838 A 31 VAL HG1% A 31 VAL HA 1.0 1.8 3.75 936 839 A 31 VAL HG1% A 60 TYR HBx 1.0 1.8 5.05 937 840 A 31 VAL HG1% A 55 ARG HGy 1.0 1.8 4.93 938 841 A 45 PHE HE% A 50 LEU HBx 1.0 1.8 4.37 939 842 A 16 CYS HBy A 13 PRO HA 1.0 1.8 3.77 940 843 A 17 THR HB A 17 THR HA 1.0 1.8 2.89 941 844 A 16 CYS HA A 19 LEU HBy 1.0 1.8 4.03 942 845 A 31 VAL HG2% A 31 VAL HA 1.0 1.8 3.30 943 846 A 60 TYR HBx A 31 VAL HA 1.0 1.8 4.80 944 847 A 69 PHE H A 66 CYS HA 1.0 1.8 4.04 945 848 A 4 ASP HBy A 5 PRO HA 1.0 1.8 3.70 946 849 A 71 SER H A 71 SER HB2 1.0 1.8 4.07 947 849 A 71 SER H A 71 SER HBy 1.0 1.8 4.07 948 850 A 23 ILE HA A 23 ILE HG1x 1.0 1.8 3.09 949 851 A 26 ILE HA A 26 ILE HG1y 1.0 1.8 3.19 950 852 A 26 ILE HA A 26 ILE HG1x 1.0 1.8 3.71 951 853 A 59 PRO HA A 54 TYR HBx 1.0 1.8 4.24 952 854 A 73 ILE HG1y A 73 ILE HA 1.0 1.8 3.99 953 855 A 73 ILE HG1x A 73 ILE HA 1.0 1.8 3.76 954 856 A 73 ILE HG2% A 73 ILE HA 1.0 1.8 3.27 955 857 A 59 PRO HA A 60 TYR H 1.0 1.8 2.93 956 858 A 62 VAL HA A 66 CYS HBx 1.0 1.8 4.49 957 859 A 37 LEU HD2% A 62 VAL HA 1.0 1.8 4.74 958 860 A 62 VAL HA A 30 CYS HA 1.0 1.8 4.40 959 861 A 54 TYR H A 53 VAL HA 1.0 1.8 2.86 960 862 A 53 VAL HA A 53 VAL HG1% 1.0 1.8 3.15 961 863 A 71 SER HA A 71 SER HB2 1.0 1.8 2.75 962 863 A 71 SER HBy A 71 SER HA 1.0 1.8 2.75 963 864 A 69 PHE HA A 69 PHE HBy 1.0 1.8 2.80 964 865 A 80 SER HA A 80 SER HB2 1.0 1.8 2.67 965 865 A 80 SER HBy A 80 SER HA 1.0 1.8 2.67 966 866 A 65 LYS HGx A 65 LYS HA 1.0 1.8 3.38 967 867 A 15 LEU HD1% A 18 GLU HA 1.0 1.8 4.92 968 868 A 15 LEU HBx A 12 LEU HA 1.0 1.8 4.00 969 869 A 18 GLU HBy A 18 GLU HA 1.0 1.8 2.87 970 870 A 18 GLU HA A 17 THR HG2% 1.0 1.8 4.34 971 871 A 47 ARG HBy A 47 ARG HA 1.0 1.8 2.98 972 872 A 74 SER HA A 73 ILE HB 1.0 1.8 4.36 973 873 A 44 ASP H A 41 GLU HA 1.0 1.8 3.57 974 874 A 14 GLN HA A 17 THR HG2% 1.0 1.8 4.17 975 875 A 43 TYR H A 40 ARG HA 1.0 1.8 3.75 976 876 A 40 ARG HA A 40 ARG HBx 1.0 1.8 2.90 977 877 A 43 TYR HA A 43 TYR HBx 1.0 1.8 2.98 978 877 A 43 TYR HB3 A 43 TYR HA 1.0 1.8 2.98 979 878 A 28 LEU H A 27 ILE HA 1.0 1.8 2.77 980 879 A 30 CYS HA A 29 GLU HA 1.0 1.8 4.26 981 880 A 68 LYS HA A 68 LYS HBx 1.0 1.8 2.70 982 880 A 68 LYS HA A 68 LYS HB3 1.0 1.8 2.70 983 881 A 68 LYS HA A 68 LYS HG2 1.0 1.8 3.59 984 881 A 68 LYS HGy A 68 LYS HA 1.0 1.8 3.59 985 882 A 63 CYS HBy A 63 CYS HA 1.0 1.8 3.00 986 883 A 37 LEU HD2% A 63 CYS HA 1.0 1.8 3.87 987 884 A 64 ASP H A 63 CYS HA 1.0 1.8 3.09 988 885 A 76 TYR HBy A 76 TYR HA 1.0 1.8 2.78 989 886 A 61 ALA H A 60 TYR HA 1.0 1.8 2.95 990 887 A 30 CYS HA A 37 LEU HD1% 1.0 1.8 4.07 991 888 A 47 ARG H A 44 ASP HA 1.0 1.8 3.28 992 889 A 42 VAL H A 39 ARG HA 1.0 1.8 3.68 993 890 A 39 ARG HA A 39 ARG HGy 1.0 1.8 3.95 994 890 A 39 ARG HGx A 39 ARG HA 1.0 1.8 3.95 995 891 A 55 ARG H A 54 TYR HA 1.0 1.8 2.90 996 892 A 59 PRO HA A 54 TYR HA 1.0 1.8 3.36 997 893 A 75 GLU HA A 75 GLU HBy 1.0 1.8 3.01 998 894 A 38 LEU H A 37 LEU HA 1.0 1.8 2.90 999 895 A 37 LEU HD1% A 37 LEU HA 1.0 1.8 3.37 1000 896 A 24 HIS HA A 24 HIS HBy 1.0 1.8 3.00 1001 897 A 72 LYS HA A 72 LYS HGx 1.0 1.8 3.47 1002 898 A 48 ARG HBy A 48 ARG HA 1.0 1.8 2.92 1003 899 A 48 ARG HGx A 48 ARG HA 1.0 1.8 3.03 1004 900 A 49 ASP H A 48 ARG HA 1.0 1.8 3.13 1005 901 A 36 GLN HA A 29 GLU HBy 1.0 1.8 3.30 1006 902 A 20 GLN HA A 20 GLN HG2 1.0 1.8 2.73 1007 902 A 20 GLN HA A 20 GLN HGy 1.0 1.8 2.73 1008 903 A 78 HIS HBy A 78 HIS HA 1.0 1.8 2.81 1009 904 A 36 GLN HA A 29 GLU HA 1.0 1.8 2.85 1010 905 A 77 ARG HA A 77 ARG HD2 1.0 1.8 3.70 1011 905 A 77 ARG HA A 77 ARG HDy 1.0 1.8 3.70 1012 906 A 77 ARG HA A 77 ARG HBx 1.0 1.8 2.85 1013 906 A 77 ARG HB3 A 77 ARG HA 1.0 1.8 2.85 1014 907 A 77 ARG HA A 77 ARG HG2 1.0 1.8 3.29 1015 907 A 77 ARG HGy A 77 ARG HA 1.0 1.8 3.29 1016 908 A 56 ASP HBy A 56 ASP HA 1.0 1.8 2.92 1017 909 A 35 GLN HA A 35 GLN HG2 1.0 1.8 3.35 1018 909 A 35 GLN HA A 35 GLN HGy 1.0 1.8 3.35 1019 910 A 35 GLN HA A 35 GLN HBx 1.0 1.8 2.99 1020 911 A 19 LEU HA A 20 GLN HBy 1.0 1.8 3.95 1021 912 A 50 LEU H A 49 ASP HA 1.0 1.8 3.38 1022 913 A 51 CYS H A 50 LEU HA 1.0 1.8 3.06 1023 914 A 9 PRO HDy A 8 ARG HA 1.0 1.8 3.00 1024 915 A 9 PRO HDx A 8 ARG HA 1.0 1.8 3.12 1025 916 A 8 ARG HA A 8 ARG HG2 1.0 1.8 3.33 1026 916 A 8 ARG HGy A 8 ARG HA 1.0 1.8 3.33 1027 917 A 51 CYS HBx A 50 LEU HA 1.0 1.8 4.45 1028 918 A 50 LEU HG A 50 LEU HA 1.0 1.8 4.18 1029 919 A 37 LEU H A 29 GLU HA 1.0 1.8 3.51 1030 920 A 29 GLU H A 28 LEU HA 1.0 1.8 2.74 1031 921 A 28 LEU HBx A 28 LEU HA 1.0 1.8 2.97 1032 922 A 28 LEU HA A 28 LEU HD2% 1.0 1.8 3.71 1033 923 A 4 ASP HBy A 4 ASP HA 1.0 1.8 2.78 1034 924 A 15 LEU HBx A 9 PRO HDy 1.0 1.8 4.49 1035 925 A 9 PRO HDx A 8 ARG HG2 1.0 1.8 4.48 1036 925 A 9 PRO HDx A 8 ARG HGy 1.0 1.8 4.48 1037 926 A 62 VAL H A 61 ALA HA 1.0 1.8 3.47 1038 927 A 37 LEU HD1% A 61 ALA HA 1.0 1.8 4.29 1039 928 A 52 ILE HA A 61 ALA HA 1.0 1.8 4.37 1040 929 A 29 GLU H A 28 LEU HBy 1.0 1.8 4.49 1041 930 A 48 ARG HBy A 48 ARG HDy 1.0 1.8 3.54 1042 931 A 25 ASP H A 25 ASP HBy 1.0 1.8 3.65 1043 932 A 10 ARG HA A 10 ARG HD2 1.0 1.8 3.38 1044 932 A 10 ARG HA A 10 ARG HDy 1.0 1.8 3.38 1045 933 A 47 ARG HGy A 47 ARG HD2 1.0 1.8 2.66 1046 933 A 47 ARG HGy A 47 ARG HDy 1.0 1.8 2.66 1047 934 A 31 VAL H A 60 TYR HBy 1.0 1.8 4.39 1048 935 A 77 ARG HB3 A 77 ARG HD2 1.0 1.8 3.20 1049 935 A 77 ARG HBx A 77 ARG HD2 1.0 1.8 3.20 1050 935 A 77 ARG HDy A 77 ARG HBx 1.0 1.8 3.20 1051 935 A 77 ARG HB3 A 77 ARG HDy 1.0 1.8 3.20 1052 936 A 31 VAL H A 60 TYR HBx 1.0 1.8 4.36 1053 937 A 60 TYR HBx A 31 VAL HB 1.0 1.8 3.67 1054 938 A 72 LYS HGy A 72 LYS HE2 1.0 1.8 3.88 1055 938 A 72 LYS HGy A 72 LYS HEy 1.0 1.8 3.88 1056 939 A 65 LYS HD2 A 65 LYS HE2 1.0 1.8 2.96 1057 939 A 65 LYS HDy A 65 LYS HE2 1.0 1.8 2.96 1058 939 A 65 LYS HEy A 65 LYS HD2 1.0 1.8 2.96 1059 939 A 65 LYS HEy A 65 LYS HDy 1.0 1.8 2.96 1060 940 A 64 ASP HBy A 65 LYS H 1.0 1.8 3.70 1061 941 A 68 LYS HDy A 68 LYS HE2 1.0 1.8 3.05 1062 941 A 68 LYS HD2 A 68 LYS HE2 1.0 1.8 3.05 1063 941 A 68 LYS HEy A 68 LYS HD2 1.0 1.8 3.05 1064 941 A 68 LYS HEy A 68 LYS HDy 1.0 1.8 3.05 1065 942 A 68 LYS HEy A 68 LYS HG2 1.0 1.8 3.31 1066 942 A 68 LYS HE2 A 68 LYS HG2 1.0 1.8 3.31 1067 942 A 68 LYS HGy A 68 LYS HE2 1.0 1.8 3.31 1068 942 A 68 LYS HGy A 68 LYS HEy 1.0 1.8 3.31 1069 943 A 34 LYS HB3 A 34 LYS HE2 1.0 1.8 4.00 1070 943 A 34 LYS HBx A 34 LYS HE2 1.0 1.8 4.00 1071 943 A 34 LYS HEy A 34 LYS HBx 1.0 1.8 4.00 1072 943 A 34 LYS HB3 A 34 LYS HEy 1.0 1.8 4.00 1073 944 A 19 LEU HD2% A 19 LEU HBx 1.0 1.8 3.29 1074 945 A 15 LEU HBy A 12 LEU HA 1.0 1.8 4.13 1075 946 A 67 LEU H A 67 LEU HBy 1.0 1.8 3.49 1076 947 A 42 VAL HG2% A 37 LEU HBy 1.0 1.8 4.21 1077 948 A 67 LEU H A 67 LEU HBx 1.0 1.8 3.72 1078 949 A 44 ASP HBy A 41 GLU HA 1.0 1.8 3.82 1079 950 A 12 LEU HD1% A 12 LEU HBy 1.0 1.8 3.79 1080 950 A 12 LEU HBx A 12 LEU HD1% 1.0 1.8 3.79 1081 951 A 13 PRO HDy A 12 LEU HBy 1.0 1.8 4.08 1082 951 A 12 LEU HBx A 13 PRO HDy 1.0 1.8 4.08 1083 952 A 2 PHE HBy A 8 ARG HG2 1.0 1.8 4.62 1084 952 A 2 PHE HBy A 8 ARG HGy 1.0 1.8 4.62 1085 953 A 80 SER H A 79 TYR HBy 1.0 1.8 4.20 1086 954 A 23 ILE HB A 23 ILE HD1% 1.0 1.8 3.46 1087 955 A 19 LEU HD1% A 18 GLU HGy 1.0 1.8 4.81 1088 956 A 18 GLU H A 18 GLU HGy 1.0 1.8 3.54 1089 957 A 75 GLU HGy A 75 GLU HBy 1.0 1.8 2.68 1090 958 A 29 GLU HA A 29 GLU HG2 1.0 1.8 3.02 1091 958 A 29 GLU HA A 29 GLU HGy 1.0 1.8 3.02 1092 959 A 29 GLU HBx A 29 GLU HG2 1.0 1.8 2.93 1093 959 A 29 GLU HBx A 29 GLU HGy 1.0 1.8 2.93 1094 960 A 18 GLU HA A 18 GLU HGy 1.0 1.8 3.48 1095 961 A 7 GLU HGy A 7 GLU HA 1.0 1.8 3.32 1096 962 A 7 GLU HA A 7 GLU HGx 1.0 1.8 3.43 1097 963 A 62 VAL HB A 62 VAL H 1.0 1.8 3.70 1098 964 A 62 VAL HB A 53 VAL HG2% 1.0 1.8 3.80 1099 965 A 13 PRO HDx A 11 LYS HBx 1.0 1.8 4.61 1100 966 A 33 CYS HBy A 35 GLN HG2 1.0 1.8 3.78 1101 966 A 33 CYS HBy A 35 GLN HGy 1.0 1.8 3.78 1102 967 A 35 GLN HBy A 35 GLN HG2 1.0 1.8 2.83 1103 967 A 35 GLN HBy A 35 GLN HGy 1.0 1.8 2.83 1104 968 A 35 GLN H A 35 GLN HG2 1.0 1.8 3.15 1105 968 A 35 GLN H A 35 GLN HGy 1.0 1.8 3.15 1106 969 A 35 GLN HBx A 35 GLN HG2 1.0 1.8 2.81 1107 969 A 35 GLN HBx A 35 GLN HGy 1.0 1.8 2.81 1108 970 A 36 GLN HGx A 27 ILE HG2% 1.0 1.8 4.07 1109 971 A 14 GLN HA A 14 GLN HGy 1.0 1.8 3.40 1110 972 A 3 GLN HBy A 3 GLN HG2 1.0 1.8 2.46 1111 972 A 3 GLN HGy A 3 GLN HBy 1.0 1.8 2.46 1112 973 A 59 PRO HBx A 52 ILE HG2% 1.0 1.8 4.38 1113 974 A 29 GLU HBx A 30 CYS H 1.0 1.8 4.16 1114 975 A 65 LYS HBy A 65 LYS HD2 1.0 1.8 3.46 1115 975 A 65 LYS HBy A 65 LYS HDy 1.0 1.8 3.46 1116 976 A 66 CYS H A 65 LYS HBx 1.0 1.8 3.73 1117 977 A 58 ASN HD22 A 55 ARG HBx 1.0 1.8 4.67 1118 978 A 55 ARG HBy A 55 ARG HA 1.0 1.8 2.99 1119 979 A 33 CYS H A 33 CYS HBx 1.0 1.8 4.01 1120 980 A 68 LYS H A 68 LYS HBx 1.0 1.8 3.23 1121 980 A 68 LYS H A 68 LYS HB3 1.0 1.8 3.23 1122 981 A 37 LEU HD2% A 63 CYS HBy 1.0 1.8 4.63 1123 982 A 64 ASP H A 63 CYS HBx 1.0 1.8 4.31 1124 983 A 44 ASP HA A 47 ARG HBy 1.0 1.8 2.86 1125 984 A 26 ILE HG1x A 28 LEU HA 1.0 1.8 4.49 1126 985 A 65 LYS HBx A 65 LYS HD2 1.0 1.8 2.87 1127 985 A 65 LYS HBx A 65 LYS HDy 1.0 1.8 2.87 1128 986 A 65 LYS HGx A 65 LYS HD2 1.0 1.8 2.83 1129 986 A 65 LYS HGx A 65 LYS HDy 1.0 1.8 2.83 1130 987 A 68 LYS HD2 A 68 LYS HG2 1.0 1.8 3.00 1131 987 A 68 LYS HGy A 68 LYS HD2 1.0 1.8 3.00 1132 987 A 68 LYS HGy A 68 LYS HDy 1.0 1.8 3.00 1133 987 A 68 LYS HDy A 68 LYS HG2 1.0 1.8 3.00 1134 988 A 72 LYS HA A 72 LYS HD2 1.0 1.8 3.13 1135 988 A 72 LYS HA A 72 LYS HDy 1.0 1.8 3.13 1136 989 A 72 LYS HGy A 72 LYS HD2 1.0 1.8 2.53 1137 989 A 72 LYS HGy A 72 LYS HDy 1.0 1.8 2.53 1138 990 A 6 GLN HBy A 6 GLN HG2 1.0 1.8 2.92 1139 990 A 6 GLN HGy A 6 GLN HBy 1.0 1.8 2.92 1140 991 A 23 ILE HG2% A 23 ILE HG1x 1.0 1.8 3.94 1141 992 A 48 ARG H A 48 ARG HGy 1.0 1.8 4.22 1142 993 A 34 LYS HDx A 34 LYS HBx 1.0 1.8 3.45 1143 993 A 34 LYS HB3 A 34 LYS HDx 1.0 1.8 3.45 1144 994 A 34 LYS HDx A 34 LYS HGy 1.0 1.8 3.04 1145 995 A 10 ARG H A 10 ARG HGy 1.0 1.8 4.56 1146 996 A 10 ARG HA A 10 ARG HGy 1.0 1.8 3.35 1147 997 A 38 LEU H A 38 LEU HG 1.0 1.8 3.69 1148 998 A 47 ARG H A 47 ARG HGx 1.0 1.8 4.35 1149 999 A 47 ARG HGy A 47 ARG HA 1.0 1.8 3.76 1150 1000 A 26 ILE HG2% A 28 LEU HD2% 1.0 1.8 3.68 1151 1001 A 55 ARG HA A 55 ARG HGx 1.0 1.8 3.75 1152 1002 A 77 ARG HBx A 77 ARG HG2 1.0 1.8 2.51 1153 1002 A 77 ARG HB3 A 77 ARG HG2 1.0 1.8 2.51 1154 1002 A 77 ARG HGy A 77 ARG HBx 1.0 1.8 2.51 1155 1002 A 77 ARG HGy A 77 ARG HB3 1.0 1.8 2.51 1156 1003 A 12 LEU HD2% A 13 PRO HDy 1.0 1.8 4.62 1157 1004 A 12 LEU HD2% A 42 VAL HB 1.0 1.8 4.55 1158 1005 A 12 LEU HD2% A 12 LEU HBy 1.0 1.8 3.44 1159 1005 A 12 LEU HBx A 12 LEU HD2% 1.0 1.8 3.44 1160 1006 A 12 LEU HD2% A 46 ALA HB% 1.0 1.8 3.73 1161 1007 A 12 LEU HD2% A 28 LEU HD2% 1.0 1.8 3.31 1162 1008 A 27 ILE HG2% A 27 ILE HG1y 1.0 1.8 3.25 1163 1009 A 27 ILE H A 27 ILE HG1y 1.0 1.8 4.26 1164 1010 A 16 CYS HBx A 13 PRO HA 1.0 1.8 4.23 1165 1011 A 20 GLN H A 20 GLN HBy 1.0 1.8 4.17 1166 1012 A 41 GLU HBy A 37 LEU HD2% 1.0 1.8 4.02 1167 1013 A 19 LEU HBy A 19 LEU HD2% 1.0 1.8 3.10 1168 1014 A 11 LYS HGx A 14 GLN HE21 1.0 1.8 4.55 1169 1015 A 34 LYS HA A 34 LYS HGy 1.0 1.8 4.02 1170 1016 A 67 LEU HD1% A 67 LEU HBy 1.0 1.8 3.92 1171 1017 A 67 LEU HA A 67 LEU HD2% 1.0 1.8 3.36 1172 1018 A 15 LEU H A 15 LEU HD2% 1.0 1.8 3.82 1173 1019 A 43 TYR HD% A 42 VAL HG1% 1.0 1.8 4.89 1174 1020 A 43 TYR H A 42 VAL HG1% 1.0 1.8 3.87 1175 1021 A 42 VAL HG1% A 39 ARG HA 1.0 1.8 4.44 1176 1022 A 37 LEU HBy A 42 VAL HG1% 1.0 1.8 3.58 1177 1023 A 63 CYS HBy A 37 LEU HD1% 1.0 1.8 4.70 1178 1024 A 37 LEU HD1% A 63 CYS HBx 1.0 1.8 3.39 1179 1025 A 37 LEU HBx A 37 LEU HD1% 1.0 1.8 3.90 1180 1026 A 52 ILE HD1% A 15 LEU HD2% 1.0 1.8 3.90 1181 1027 A 29 GLU H A 28 LEU HD1% 1.0 1.8 3.79 1182 1028 A 28 LEU HD1% A 61 ALA H 1.0 1.8 4.67 1183 1029 A 28 LEU HD1% A 28 LEU HA 1.0 1.8 2.95 1184 1030 A 28 LEU HD1% A 27 ILE HA 1.0 1.8 3.89 1185 1031 A 42 VAL HG2% A 42 VAL HA 1.0 1.8 3.46 1186 1032 A 67 LEU H A 62 VAL HG1% 1.0 1.8 4.04 1187 1033 A 63 CYS H A 62 VAL HG1% 1.0 1.8 3.79 1188 1034 A 18 GLU H A 17 THR HG2% 1.0 1.8 3.51 1189 1035 A 18 GLU HGx A 17 THR HG2% 1.0 1.8 4.38 1190 1036 A 48 ARG HBy A 50 LEU HD1% 1.0 1.8 4.18 1191 1037 A 62 VAL HA A 62 VAL HG2% 1.0 1.8 3.54 1192 1038 A 63 CYS H A 62 VAL HG2% 1.0 1.8 4.12 1193 1039 A 66 CYS HBx A 62 VAL HG2% 1.0 1.8 4.33 1194 1040 A 53 VAL HG2% A 62 VAL HG2% 1.0 1.8 4.02 1195 1041 A 22 THR HG2% A 24 HIS H 1.0 1.8 4.11 1196 1042 A 61 ALA HB% A 28 LEU HA 1.0 1.8 3.99 1197 1043 A 37 LEU HD1% A 61 ALA HB% 1.0 1.8 3.39 1198 1044 A 53 VAL HG2% A 53 VAL H 1.0 1.8 3.62 1199 1045 A 53 VAL HG2% A 53 VAL HA 1.0 1.8 3.37 1200 1046 A 53 VAL HG2% A 60 TYR HBy 1.0 1.8 4.61 1201 1047 A 31 VAL HG1% A 53 VAL HG2% 1.0 1.8 3.96 1202 1048 A 21 THR HG2% A 16 CYS HBy 1.0 1.8 4.67 1203 1049 A 21 THR HG2% A 19 LEU HBy 1.0 1.8 3.84 1204 1050 A 21 THR HG2% A 19 LEU HD2% 1.0 1.8 3.75 1205 1051 A 21 THR HG2% A 26 ILE HG2% 1.0 1.8 3.57 1206 1052 A 46 ALA H A 46 ALA HB% 1.0 1.8 3.07 1207 1053 A 46 ALA HB% A 12 LEU HBy 1.0 1.8 3.35 1208 1053 A 12 LEU HBx A 46 ALA HB% 1.0 1.8 3.35 1209 1054 A 46 ALA HB% A 23 ILE HD1% 1.0 1.8 3.41 1210 1055 A 46 ALA HB% A 13 PRO HG2 1.0 1.8 4.59 1211 1055 A 46 ALA HB% A 13 PRO HGy 1.0 1.8 4.59 1212 1056 A 31 VAL HG1% A 55 ARG HA 1.0 1.8 4.76 1213 1057 A 2 PHE HA A 1 MET HE% 1.0 1.8 3.19 1214 1058 A 27 ILE HG2% A 28 LEU HA 1.0 1.8 3.84 1215 1059 A 23 ILE HG1y A 26 ILE HG2% 1.0 1.8 4.12 1216 1060 A 23 ILE HG1y A 23 ILE HG2% 1.0 1.8 3.48 1217 1061 A 26 ILE HA A 26 ILE HD1% 1.0 1.8 4.05 1218 1062 A 23 ILE HA A 26 ILE HD1% 1.0 1.8 3.95 1219 1063 A 27 ILE H A 26 ILE HD1% 1.0 1.8 4.68 1220 1064 A 28 LEU HA A 26 ILE HD1% 1.0 1.8 4.00 1221 1065 A 21 THR HG2% A 26 ILE HD1% 1.0 1.8 3.99 1222 1066 A 27 ILE H A 27 ILE HD1% 1.0 1.8 4.45 1223 1067 A 52 ILE HD1% A 12 LEU HBy 1.0 1.8 3.68 1224 1067 A 12 LEU HBx A 52 ILE HD1% 1.0 1.8 3.68 1225 1068 A 52 ILE HD1% A 53 VAL H 1.0 1.8 4.12 1226 1069 A 31 VAL H A 60 TYR HD% 1.0 1.8 4.66 1227 1070 A 62 VAL HA A 31 VAL H 1.0 1.8 4.56 1228 1071 A 31 VAL H A 31 VAL HB 1.0 1.8 3.48 1229 1072 A 37 LEU H A 29 GLU HBy 1.0 1.8 4.02 1230 1073 A 26 ILE H A 27 ILE H 1.0 1.8 4.62 1231 1074 A 63 CYS H A 63 CYS HBx 1.0 1.8 3.33 1232 1075 A 28 LEU H A 27 ILE HD1% 1.0 1.8 3.69 1233 1076 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.50 1234 1077 A 28 LEU H A 27 ILE HB 1.0 1.8 4.66 1235 1078 A 39 ARG H A 39 ARG HGy 1.0 1.8 4.00 1236 1078 A 39 ARG H A 39 ARG HGx 1.0 1.8 4.00 1237 1079 A 45 PHE H A 45 PHE HBy 1.0 1.8 2.95 1238 1080 A 45 PHE H A 46 ALA HB% 1.0 1.8 5.04 1239 1081 A 30 CYS H A 29 GLU HBy 1.0 1.8 3.70 1240 1082 A 66 CYS H A 68 LYS H 1.0 1.8 4.97 1241 1083 A 18 GLU H A 17 THR HB 1.0 1.8 3.22 1242 1084 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.44 1243 1085 A 12 LEU H A 13 PRO HDy 1.0 1.8 3.94 1244 1086 A 67 LEU H A 68 LYS H 1.0 1.8 4.03 1245 1087 A 67 LEU H A 64 ASP HA 1.0 1.8 4.69 1246 1088 A 16 CYS HA A 18 GLU H 1.0 1.8 4.99 1247 1089 A 40 ARG H A 42 VAL H 1.0 1.8 4.64 1248 1090 A 42 VAL H A 42 VAL HB 1.0 1.8 3.36 1249 1091 A 12 LEU H A 11 LYS HBy 1.0 1.8 3.80 1250 1092 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.07 1251 1093 A 15 LEU H A 15 LEU HD1% 1.0 1.8 4.63 1252 1094 A 54 TYR H A 53 VAL HB 1.0 1.8 3.99 1253 1095 A 54 TYR H A 53 VAL HG1% 1.0 1.8 3.88 1254 1096 A 15 LEU H A 9 PRO HDy 1.0 1.8 5.10 1255 1097 A 15 LEU H A 15 LEU HG 1.0 1.8 4.36 1256 1098 A 77 ARG H A 78 HIS HD2 1.0 1.8 4.76 1257 1099 A 77 ARG H A 78 HIS HBx 1.0 1.8 4.34 1258 1100 A 32 TYR H A 31 VAL HA 1.0 1.8 3.50 1259 1101 A 32 TYR H A 30 CYS HBx 1.0 1.8 4.85 1260 1102 A 32 TYR H A 32 TYR HD% 1.0 1.8 3.83 1261 1103 A 47 ARG H A 47 ARG HD2 1.0 1.8 4.64 1262 1103 A 47 ARG H A 47 ARG HDy 1.0 1.8 4.64 1263 1104 A 47 ARG H A 47 ARG HBy 1.0 1.8 3.03 1264 1105 A 61 ALA H A 60 TYR HBx 1.0 1.8 3.99 1265 1106 A 10 ARG H A 10 ARG HBx 1.0 1.8 3.53 1266 1107 A 10 ARG H A 10 ARG HBy 1.0 1.8 3.73 1267 1108 A 52 ILE HD1% A 61 ALA H 1.0 1.8 4.70 1268 1109 A 23 ILE H A 23 ILE HG1x 1.0 1.8 3.84 1269 1110 A 23 ILE H A 23 ILE HD1% 1.0 1.8 4.32 1270 1111 A 23 ILE H A 23 ILE HG2% 1.0 1.8 3.61 1271 1112 A 55 ARG H A 54 TYR HBy 1.0 1.8 4.14 1272 1113 A 36 GLN H A 35 GLN HG2 1.0 1.8 3.94 1273 1113 A 36 GLN H A 35 GLN HGy 1.0 1.8 3.94 1274 1114 A 36 GLN HGx A 36 GLN H 1.0 1.8 3.60 1275 1115 A 36 GLN H A 36 GLN HBy 1.0 1.8 2.82 1276 1116 A 23 ILE H A 16 CYS HBy 1.0 1.8 4.83 1277 1117 A 2 PHE HBy A 3 GLN H 1.0 1.8 4.39 1278 1118 A 8 ARG H A 7 GLU HA 1.0 1.8 3.07 1279 1119 A 7 GLU HBx A 8 ARG H 1.0 1.8 4.63 1280 1120 A 8 ARG H A 8 ARG HBy 1.0 1.8 3.69 1281 1120 A 8 ARG H A 8 ARG HBx 1.0 1.8 3.69 1282 1121 A 8 ARG H A 8 ARG HG2 1.0 1.8 3.18 1283 1121 A 8 ARG H A 8 ARG HGy 1.0 1.8 3.18 1284 1122 A 25 ASP HBy A 26 ILE H 1.0 1.8 4.18 1285 1123 A 26 ILE H A 25 ASP HBx 1.0 1.8 3.98 1286 1124 A 26 ILE H A 21 THR HG2% 1.0 1.8 4.65 1287 1125 A 72 LYS H A 72 LYS HGy 1.0 1.8 4.96 1288 1126 A 72 LYS H A 72 LYS HBy 1.0 1.8 4.19 1289 1127 A 42 VAL HG2% A 44 ASP H 1.0 1.8 5.50 1290 1128 A 2 PHE H A 2 PHE HBx 1.0 1.8 3.73 1291 1129 A 76 TYR H A 76 TYR HBx 1.0 1.8 3.50 1292 1130 A 76 TYR H A 75 GLU HA 1.0 1.8 3.59 1293 1131 A 76 TYR H A 73 ILE HG2% 1.0 1.8 5.45 1294 1132 A 65 LYS HBy A 65 LYS H 1.0 1.8 2.96 1295 1133 A 65 LYS H A 65 LYS HD2 1.0 1.8 3.58 1296 1133 A 65 LYS H A 65 LYS HDy 1.0 1.8 3.58 1297 1134 A 59 PRO HA A 58 ASN H 1.0 1.8 4.93 1298 1135 A 58 ASN H A 58 ASN HBy 1.0 1.8 3.18 1299 1136 A 7 GLU H A 4 ASP HA 1.0 1.8 4.78 1300 1137 A 7 GLU H A 8 ARG HG2 1.0 1.8 5.13 1301 1137 A 7 GLU H A 8 ARG HGy 1.0 1.8 5.13 1302 1138 A 29 GLU H A 60 TYR HD% 1.0 1.8 4.30 1303 1139 A 29 GLU H A 60 TYR HA 1.0 1.8 4.21 1304 1140 A 29 GLU H A 29 GLU HBy 1.0 1.8 3.64 1305 1141 A 70 TYR H A 69 PHE H 1.0 1.8 4.09 1306 1142 A 69 PHE H A 69 PHE HBx 1.0 1.8 3.24 1307 1143 A 69 PHE H A 68 LYS HBx 1.0 1.8 3.70 1308 1143 A 69 PHE H A 68 LYS HB3 1.0 1.8 3.70 1309 1144 A 69 PHE H A 69 PHE HD% 1.0 1.8 4.48 1310 1145 A 73 ILE H A 73 ILE HB 1.0 1.8 3.35 1311 1146 A 73 ILE H A 72 LYS HGx 1.0 1.8 3.87 1312 1147 A 37 LEU HD2% A 64 ASP H 1.0 1.8 5.34 1313 1148 A 49 ASP H A 49 ASP HA 1.0 1.8 2.90 1314 1149 A 49 ASP H A 48 ARG HGx 1.0 1.8 4.80 1315 1150 A 35 GLN H A 30 CYS HBy 1.0 1.8 3.67 1316 1151 A 34 LYS H A 35 GLN H 1.0 1.8 3.70 1317 1152 A 70 TYR H A 70 TYR HBx 1.0 1.8 3.59 1318 1153 A 70 TYR H A 69 PHE HD% 1.0 1.8 5.13 1319 1154 A 60 TYR H A 60 TYR HBy 1.0 1.8 4.07 1320 1155 A 33 CYS H A 32 TYR HBx 1.0 1.8 4.01 1321 1156 A 33 CYS H A 34 LYS HA 1.0 1.8 4.22 1322 1157 A 32 TYR HBy A 33 CYS H 1.0 1.8 3.47 1323 1158 A 34 LYS H A 30 CYS HBx 1.0 1.8 4.03 1324 1159 A 41 GLU H A 42 VAL HG2% 1.0 1.8 4.70 1325 1160 A 41 GLU H A 40 ARG HG2 1.0 1.8 3.91 1326 1160 A 41 GLU H A 40 ARG HGy 1.0 1.8 3.91 1327 1161 A 53 VAL HG2% A 60 TYR H 1.0 1.8 5.47 1328 1162 A 60 TYR H A 31 VAL HB 1.0 1.8 5.50 1329 1163 A 6 GLN H A 4 ASP HA 1.0 1.8 4.38 1330 1164 A 6 GLN H A 6 GLN HG2 1.0 1.8 3.57 1331 1164 A 6 GLN H A 6 GLN HGy 1.0 1.8 3.57 1332 1165 A 6 GLN H A 6 GLN HBy 1.0 1.8 2.98 1333 1166 A 23 ILE HG1y A 24 HIS H 1.0 1.8 4.68 1334 1167 A 23 ILE HD1% A 24 HIS H 1.0 1.8 5.31 1335 1168 A 24 HIS H A 23 ILE HG2% 1.0 1.8 3.88 1336 1169 A 24 HIS HE1 A 24 HIS H 1.0 1.8 4.67 1337 1170 A 48 ARG HDx A 48 ARG H 1.0 1.8 4.66 1338 1171 A 68 LYS H A 68 LYS HG2 1.0 1.8 4.43 1339 1171 A 68 LYS H A 68 LYS HGy 1.0 1.8 4.43 1340 1172 A 46 ALA H A 45 PHE HBx 1.0 1.8 3.26 1341 1173 A 48 ARG H A 47 ARG HBy 1.0 1.8 3.46 1342 1174 A 48 ARG H A 49 ASP HA 1.0 1.8 4.71 1343 1175 A 48 ARG H A 48 ARG HBy 1.0 1.8 3.21 1344 1176 A 48 ARG H A 48 ARG HGx 1.0 1.8 3.38 1345 1177 A 19 LEU H A 19 LEU HG 1.0 1.8 3.30 1346 1178 A 19 LEU H A 19 LEU HBy 1.0 1.8 3.17 1347 1179 A 19 LEU H A 19 LEU HD1% 1.0 1.8 3.83 1348 1180 A 43 TYR H A 43 TYR HD% 1.0 1.8 3.70 1349 1181 A 43 TYR H A 43 TYR HBx 1.0 1.8 3.12 1350 1181 A 43 TYR H A 43 TYR HB3 1.0 1.8 3.12 1351 1182 A 42 VAL HG2% A 43 TYR H 1.0 1.8 3.71 1352 1183 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.58 1353 1184 A 49 ASP H A 50 LEU H 1.0 1.8 3.47 1354 1185 A 48 ARG HBx A 50 LEU H 1.0 1.8 4.37 1355 1186 A 50 LEU HBy A 50 LEU H 1.0 1.8 3.38 1356 1187 A 18 GLU HBy A 17 THR H 1.0 1.8 4.39 1357 1188 A 14 GLN H A 14 GLN HBy 1.0 1.8 3.14 1358 1189 A 15 LEU HBx A 14 GLN H 1.0 1.8 5.44 1359 1190 A 51 CYS H A 51 CYS HBx 1.0 1.8 3.79 1360 1191 A 51 CYS H A 50 LEU HBy 1.0 1.8 3.75 1361 1192 A 16 CYS H A 15 LEU HD1% 1.0 1.8 4.54 1362 1193 A 16 CYS H A 13 PRO HA 1.0 1.8 3.61 1363 1194 A 71 SER H A 70 TYR HD% 1.0 1.8 5.43 1364 1195 A 25 ASP H A 26 ILE HA 1.0 1.8 4.77 1365 1196 A 25 ASP H A 24 HIS HBy 1.0 1.8 4.44 1366 1197 A 33 CYS HBy A 35 GLN HE21 1.0 1.8 5.14 1367 1198 A 25 ASP H A 24 HIS H 1.0 1.8 3.32 1368 1199 A 35 GLN HA A 35 GLN HE21 1.0 1.8 4.67 1369 1200 A 35 GLN HBx A 35 GLN HE21 1.0 1.8 4.81 1370 1201 A 58 ASN HD21 A 58 ASN HA 1.0 1.8 4.97 1371 1202 A 58 ASN HD22 A 58 ASN HBy 1.0 1.8 3.85 1372 1203 A 35 GLN HA A 35 GLN HE22 1.0 1.8 5.06 1373 1204 A 35 GLN HE22 A 35 GLN HG2 1.0 1.8 3.88 1374 1204 A 35 GLN HGy A 35 GLN HE22 1.0 1.8 3.88 1375 1205 A 35 GLN HBx A 35 GLN HE22 1.0 1.8 5.03 1376 1206 A 58 ASN HD21 A 58 ASN HBy 1.0 1.8 3.54 1377 1207 A 58 ASN H A 58 ASN HD22 1.0 1.8 5.17 1378 1208 A 40 ARG H A 43 TYR H 1.0 1.8 5.04 1379 1209 A 40 ARG H A 40 ARG HBy 1.0 1.8 3.12 1380 1210 A 21 THR H A 20 GLN HA 1.0 1.8 2.88 1381 1211 A 21 THR H A 19 LEU HBx 1.0 1.8 4.63 1382 1212 A 14 GLN HE21 A 14 GLN HGy 1.0 1.8 3.79 1383 1213 A 14 GLN HE22 A 9 PRO HG2 1.0 1.8 5.43 1384 1213 A 9 PRO HGy A 14 GLN HE22 1.0 1.8 5.43 1385 1214 A 6 GLN HE21 A 6 GLN HG2 1.0 1.8 3.66 1386 1214 A 6 GLN HGy A 6 GLN HE21 1.0 1.8 3.66 1387 1215 A 3 GLN HE22 A 4 ASP HA 1.0 1.8 4.14 1388 1216 A 20 GLN HE22 A 20 GLN HG2 1.0 1.8 3.72 1389 1216 A 20 GLN HGy A 20 GLN HE22 1.0 1.8 3.72 1390 1217 A 36 GLN HBx A 36 GLN HE21 1.0 1.8 4.72 1391 1218 A 3 GLN HE21 A 4 ASP HA 1.0 1.8 4.22 1392 1219 A 36 GLN HA A 36 GLN HE21 1.0 1.8 5.23 1393 1220 A 36 GLN HE21 A 27 ILE HD1% 1.0 1.8 4.26 1394 1221 A 36 GLN HE22 A 27 ILE HD1% 1.0 1.8 4.18 1395 1222 A 22 THR H A 26 ILE HB 1.0 1.8 4.75 1396 1223 A 54 TYR HD% A 57 GLY H 1.0 1.8 5.10 1397 1224 A 57 GLY H A 56 ASP HBx 1.0 1.8 4.29 1398 1225 A 54 TYR HE% A 2 PHE HE% 1.0 1.8 4.57 1399 1226 A 54 TYR HE% A 2 PHE HD% 1.0 1.8 3.94 1400 1227 A 54 TYR HE% A 2 PHE HBx 1.0 1.8 4.76 1401 1228 A 54 TYR HE% A 9 PRO HG2 1.0 1.8 4.45 1402 1228 A 54 TYR HE% A 9 PRO HGy 1.0 1.8 4.45 1403 1229 A 32 TYR H A 55 ARG HGx 1.0 1.8 4.52 1404 1230 A 46 ALA H A 12 LEU HD1% 1.0 1.8 5.02 1405 1231 A 54 TYR HA A 60 TYR HE% 1.0 1.8 3.90 1406 1232 A 43 TYR HE% A 24 HIS HA 1.0 1.8 3.32 1407 1233 A 31 VAL HG2% A 55 ARG HA 1.0 1.8 4.60 1408 1234 A 52 ILE HD1% A 10 ARG HA 1.0 1.8 4.03 1409 1235 A 63 CYS H A 30 CYS HBy 1.0 1.8 5.16 1410 1236 A 37 LEU H A 28 LEU H 1.0 1.8 4.51 1411 1237 A 41 GLU HGy A 64 ASP H 1.0 1.8 5.00 1412 1238 A 41 GLU HGx A 64 ASP HBy 1.0 1.8 4.66 1413 1239 A 41 GLU HGy A 64 ASP HBy 1.0 1.8 4.22 1414 1240 A 31 VAL H A 61 ALA HB% 1.0 1.8 4.87 1415 1241 A 60 TYR HBy A 29 GLU HBy 1.0 1.8 5.34 1416 1242 A 63 CYS H A 30 CYS HA 1.0 1.8 4.04 1417 1243 A 63 CYS H A 30 CYS H 1.0 1.8 4.77 1418 1244 A 62 VAL HA A 31 VAL H 1.0 1.8 3.87 1419 1245 A 60 TYR HE% A 31 VAL HA 1.0 1.8 3.65 1420 1246 A 31 VAL HG2% A 60 TYR HE% 1.0 1.8 4.68 1421 1247 A 62 VAL HA A 31 VAL HG1% 1.0 1.8 4.79 1422 1248 A 31 VAL HG1% A 61 ALA HA 1.0 1.8 4.72 1423 1249 A 31 VAL HG1% A 61 ALA HB% 1.0 1.8 4.19 1424 1250 A 31 VAL HG1% A 62 VAL HG1% 1.0 1.8 5.29 1425 1251 A 32 TYR HD% A 62 VAL HG1% 1.0 1.8 3.67 1426 1252 A 62 VAL HB A 32 TYR HE% 1.0 1.8 4.82 1427 1253 A 62 VAL HG1% A 32 TYR HE% 1.0 1.8 3.84 1428 1254 A 62 VAL HG2% A 32 TYR HE% 1.0 1.8 3.78 1429 1255 A 32 TYR H A 62 VAL HG2% 1.0 1.8 5.19 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 1 MET C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -102.89 -53.77 PHI 2 2 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLN N 1.0 63.88 174.44 PSI 3 3 A 2 PHE C A 3 GLN N A 3 GLN CA A 3 GLN C 1.0 -119.11 -50.19 PHI 4 4 A 3 GLN N A 3 GLN CA A 3 GLN C A 4 ASP N 1.0 93.23 171.31 PSI 5 5 A 3 GLN C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -92.13 -51.73 PHI 6 6 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 PRO N 1.0 96.73 170.29 PSI 7 7 A 10 ARG C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -158.59 -73.03 PHI 8 8 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LEU N 1.0 108.00 178.08 PSI 9 9 A 11 LYS C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -67.86 -50.90 PHI 10 10 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 PRO N 1.0 -58.64 -29.72 PSI 11 11 A 12 LEU C A 13 PRO N A 13 PRO CA A 13 PRO C 1.0 -75.59 -45.51 PHI 12 12 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 GLN N 1.0 -50.66 -34.70 PSI 13 13 A 13 PRO C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -87.64 -54.32 PHI 14 14 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 LEU N 1.0 -50.41 -24.61 PSI 15 15 A 14 GLN C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -73.03 -58.63 PHI 16 16 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 CYS N 1.0 -52.28 -35.52 PSI 17 17 A 15 LEU C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -78.31 -48.91 PHI 18 18 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 THR N 1.0 -59.35 -19.31 PSI 19 19 A 16 CYS C A 17 THR N A 17 THR CA A 17 THR C 1.0 -73.02 -56.70 PHI 20 20 A 17 THR N A 17 THR CA A 17 THR C A 18 GLU N 1.0 -47.30 -28.70 PSI 21 21 A 17 THR C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -75.24 -49.76 PHI 22 22 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 LEU N 1.0 -56.75 -5.59 PSI 23 23 A 18 GLU C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -110.52 -70.68 PHI 24 24 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 GLN N 1.0 -26.81 37.15 PSI 25 25 A 21 THR C A 22 THR N A 22 THR CA A 22 THR C 1.0 -147.98 -99.42 PHI 26 26 A 22 THR N A 22 THR CA A 22 THR C A 23 ILE N 1.0 132.06 185.74 PSI 27 27 A 25 ASP C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -137.36 -45.36 PHI 28 28 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ILE N 1.0 111.51 143.03 PSI 29 29 A 26 ILE C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -132.79 -66.39 PHI 30 30 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 LEU N 1.0 86.54 158.10 PSI 31 31 A 27 ILE C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -147.34 -89.90 PHI 32 32 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLU N 1.0 121.32 160.08 PSI 33 33 A 28 LEU C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -143.37 -93.69 PHI 34 34 A 29 GLU C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -174.12 -67.92 PHI 35 35 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 VAL N 1.0 103.56 143.72 PSI 36 36 A 31 VAL C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -127.91 -67.11 PHI 37 37 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 CYS N 1.0 -70.87 11.81 PSI 38 38 A 35 GLN C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -94.36 -44.80 PHI 39 39 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 LEU N 1.0 104.85 138.05 PSI 40 40 A 36 GLN C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -103.03 -49.79 PHI 41 41 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 LEU N 1.0 102.66 148.22 PSI 42 42 A 37 LEU C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -183.23 -55.63 PHI 43 43 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ARG N 1.0 101.97 130.33 PSI 44 44 A 38 LEU C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -73.15 -50.59 PHI 45 45 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 ARG N 1.0 -56.97 -1.25 PSI 46 46 A 39 ARG C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -73.42 -47.26 PHI 47 47 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLU N 1.0 -51.53 -28.33 PSI 48 48 A 40 ARG C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -82.54 -52.14 PHI 49 49 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 VAL N 1.0 -54.04 -22.60 PSI 50 50 A 41 GLU C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -68.24 -54.64 PHI 51 51 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TYR N 1.0 -48.27 -35.35 PSI 52 52 A 42 VAL C A 43 TYR N A 43 TYR CA A 43 TYR C 1.0 -89.89 -39.61 PHI 53 53 A 43 TYR N A 43 TYR CA A 43 TYR C A 44 ASP N 1.0 -69.35 -1.59 PSI 54 54 A 43 TYR C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -83.10 -52.14 PHI 55 55 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 PHE N 1.0 -62.17 -23.77 PSI 56 56 A 44 ASP C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -70.61 -56.33 PHI 57 57 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 ALA N 1.0 -50.22 -35.18 PSI 58 58 A 45 PHE C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -84.48 -54.20 PHI 59 59 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ARG N 1.0 -55.19 -13.35 PSI 60 60 A 51 CYS C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -137.20 -81.32 PHI 61 61 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 VAL N 1.0 74.47 157.99 PSI 62 62 A 52 ILE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -143.55 -91.63 PHI 63 63 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 TYR N 1.0 113.82 135.90 PSI 64 64 A 53 VAL C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -143.33 -95.09 PHI 65 65 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 ARG N 1.0 110.52 145.68 PSI 66 66 A 54 TYR C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -172.83 -62.99 PHI 67 67 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 ASP N 1.0 105.49 151.93 PSI 68 68 A 57 GLY C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -142.86 -72.30 PHI 69 69 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 PRO N 1.0 75.38 195.18 PSI 70 70 A 59 PRO C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -164.69 -93.57 PHI 71 71 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 ALA N 1.0 108.41 171.97 PSI 72 72 A 61 ALA C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -147.75 -98.75 PHI 73 73 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 CYS N 1.0 112.18 150.50 PSI 74 74 A 63 CYS C A 64 ASP N A 64 ASP CA A 64 ASP C 1.0 -71.51 -44.47 PHI 75 75 A 64 ASP N A 64 ASP CA A 64 ASP C A 65 LYS N 1.0 -66.67 -16.43 PSI 76 76 A 64 ASP C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -82.08 -51.84 PHI 77 77 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 CYS N 1.0 -57.02 -19.94 PSI 78 78 A 65 LYS C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -72.02 -55.50 PHI 79 79 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 LEU N 1.0 -57.96 -18.80 PSI 80 80 A 66 CYS C A 67 LEU N A 67 LEU CA A 67 LEU C 1.0 -80.07 -52.31 PHI 81 81 A 67 LEU N A 67 LEU CA A 67 LEU C A 68 LYS N 1.0 -64.22 -14.06 PSI 82 82 A 67 LEU C A 68 LYS N A 68 LYS CA A 68 LYS C 1.0 -79.39 -56.63 PHI 83 83 A 68 LYS N A 68 LYS CA A 68 LYS C A 69 PHE N 1.0 -55.35 -13.79 PSI 84 84 A 68 LYS C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -75.53 -56.69 PHI 85 85 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 TYR N 1.0 -51.85 -27.09 PSI 86 86 A 71 SER C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -90.91 -43.83 PHI 87 87 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 ILE N 1.0 -56.50 -17.62 PSI stop_ save_