data_nef_c34233_6fgs 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6FGS 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 22 HIS NE2 2 1 ZN ZN 1 26 CYS SG 2 1 ZN ZN 1 31 CYS SG 2 1 ZN ZN 1 36 CYS SG 2 1 ZN ZN 1 45 HIS NE2 2 2 ZN ZN 1 49 CYS SG 2 2 ZN ZN 1 57 CYS SG 2 2 ZN ZN 1 60 CYS SG 2 2 ZN ZN 1 70 HIS NE2 2 3 ZN ZN 1 74 CYS SG 2 3 ZN ZN 1 79 CYS SG 2 3 ZN ZN 1 84 CYS SG 2 3 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 ALA start . . 2 A 2 THR middle . . 3 A 3 GLN middle . . 4 A 4 SER middle . . 5 A 5 PRO middle . false 6 A 6 GLY middle . false 7 A 7 ASP middle . . 8 A 8 SER middle . . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 LEU middle . . 12 A 12 SER middle . . 13 A 13 ILE middle . . 14 A 14 GLN middle . . 15 A 15 ARG middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 GLN middle . . 19 A 19 SER middle . . 20 A 20 LEU middle . . 21 A 21 VAL middle . . 22 A 22 HIS middle -HE2 . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 GLN middle . . 26 A 26 CYS middle -HG . 27 A 27 ARG middle . . 28 A 28 ASN middle . . 29 A 29 ALA middle . . 30 A 30 ASN middle . . 31 A 31 CYS middle -HG . 32 A 32 SER middle . . 33 A 33 LEU middle . . 34 A 34 PRO middle . false 35 A 35 SER middle . . 36 A 36 CYS middle -HG . 37 A 37 GLN middle . . 38 A 38 LYS middle . . 39 A 39 MET middle . . 40 A 40 LYS middle . . 41 A 41 ARG middle . . 42 A 42 VAL middle . . 43 A 43 VAL middle . . 44 A 44 GLN middle . . 45 A 45 HIS middle -HE2 . 46 A 46 THR middle . . 47 A 47 LYS middle . . 48 A 48 GLY middle . false 49 A 49 CYS middle -HG . 50 A 50 LYS middle . . 51 A 51 ARG middle . . 52 A 52 LYS middle . . 53 A 53 THR middle . . 54 A 54 ASN middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 CYS middle -HG . 58 A 58 PRO middle . false 59 A 59 ILE middle . . 60 A 60 CYS middle -HG . 61 A 61 LYS middle . . 62 A 62 GLN middle . . 63 A 63 LEU middle . . 64 A 64 ILE middle . . 65 A 65 ALA middle . . 66 A 66 LEU middle . . 67 A 67 ALA middle . . 68 A 68 ALA middle . . 69 A 69 TYR middle . . 70 A 70 HIS middle -HE2 . 71 A 71 ALA middle . . 72 A 72 LYS middle . . 73 A 73 HIS middle . . 74 A 74 CYS middle -HG . 75 A 75 GLN middle . . 76 A 76 GLU middle . . 77 A 77 ASN middle . . 78 A 78 LYS middle . . 79 A 79 CYS middle -HG . 80 A 80 PRO middle . false 81 A 81 VAL middle . . 82 A 82 PRO middle . false 83 A 83 PHE middle . . 84 A 84 CYS middle -HG . 85 A 85 LEU middle . . 86 A 86 ASN middle . . 87 A 87 ILE middle . . 88 A 88 LYS middle . . 89 A 89 GLN middle . . 90 A 90 LYS middle . . 91 A 91 GLY middle . false 92 A 92 GLY middle . false 93 A 93 SER middle . . 94 A 94 GLY middle . false 95 A 95 GLY middle . false 96 A 96 GLY middle . false 97 A 97 THR middle . . 98 A 98 GLY middle . false 99 A 99 GLY middle . false 100 A 100 GLY middle . false 101 A 101 SER middle . . 102 A 102 GLY middle . false 103 A 103 THR middle . . 104 A 104 ILE middle . . 105 A 105 GLU middle . . 106 A 106 GLY middle . false 107 A 107 ARG middle . . 108 A 108 GLY middle . false 109 A 109 ASP middle . . 110 A 110 GLY middle . false 111 A 111 GLY middle . false 112 A 112 THR middle . . 113 A 113 THR middle . . 114 A 114 PHE middle . . 115 A 115 GLU middle . . 116 A 116 HIS middle . . 117 A 117 LEU middle . . 118 A 118 TRP middle . . 119 A 119 SER middle . . 120 A 120 SER middle . . 121 A 121 LEU middle . . 122 A 122 GLU middle . . 123 A 123 PRO middle . false 124 A 124 ASP middle . . 125 A 125 SER middle . . 126 A 126 THR middle . . 127 A 127 TYR middle . . 128 A 128 PHE middle . . 129 A 129 ASP middle . . 130 A 130 LEU end . . 131 B 1 ZN . . . 132 B 2 ZN . . . 133 B 3 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA H1 H 1 8.552 0.020 A 1 ALA HA H 1 4.436 0.020 A 1 ALA HB% H 1 1.439 0.020 A 1 ALA CA C 13 52.798 0.400 A 1 ALA CB C 13 19.285 0.400 A 1 ALA N N 15 126.203 0.400 A 2 THR H H 1 8.118 0.020 A 2 THR HA H 1 4.329 0.020 A 2 THR HB H 1 4.220 0.020 A 2 THR HG2% H 1 1.208 0.020 A 2 THR CA C 13 61.856 0.400 A 2 THR CB C 13 69.823 0.400 A 2 THR CG2 C 13 21.648 0.400 A 2 THR N N 15 113.232 0.400 A 3 GLN H H 1 8.330 0.020 A 3 GLN HA H 1 4.438 0.020 A 3 GLN HBy H 1 2.124 0.020 A 3 GLN HBx H 1 2.000 0.020 A 3 GLN HGx H 1 2.375 0.020 A 3 GLN HGy H 1 2.375 0.020 A 3 GLN CA C 13 55.665 0.400 A 3 GLN CB C 13 29.925 0.400 A 3 GLN CG C 13 33.882 0.400 A 3 GLN N N 15 122.795 0.400 A 4 SER H H 1 8.588 0.020 A 4 SER CA C 13 56.422 0.400 A 4 SER CB C 13 63.403 0.400 A 4 SER N N 15 119.289 0.400 A 5 PRO HA H 1 4.450 0.020 A 5 PRO HBx H 1 2.341 0.020 A 5 PRO HBy H 1 2.341 0.020 A 5 PRO HDy H 1 3.844 0.020 A 5 PRO HDx H 1 3.809 0.020 A 5 PRO HGy H 1 2.066 0.020 A 5 PRO HGx H 1 1.990 0.020 A 5 PRO CA C 13 64.087 0.400 A 5 PRO CB C 13 32.038 0.400 A 5 PRO CD C 13 50.820 0.400 A 5 PRO CG C 13 27.503 0.400 A 6 GLY H H 1 8.453 0.020 A 6 GLY HAx H 1 3.949 0.020 A 6 GLY HAy H 1 3.949 0.020 A 6 GLY CA C 13 45.762 0.400 A 6 GLY N N 15 108.250 0.400 A 7 ASP H H 1 8.098 0.020 A 7 ASP HA H 1 4.624 0.020 A 7 ASP HBx H 1 2.746 0.020 A 7 ASP HBy H 1 2.746 0.020 A 7 ASP CA C 13 55.197 0.400 A 7 ASP CB C 13 41.326 0.400 A 7 ASP N N 15 121.227 0.400 A 8 SER H H 1 8.386 0.020 A 8 SER HA H 1 4.285 0.020 A 8 SER HBx H 1 3.970 0.020 A 8 SER HBy H 1 3.970 0.020 A 8 SER CA C 13 60.404 0.400 A 8 SER CB C 13 63.242 0.400 A 8 SER N N 15 116.864 0.400 A 9 ARG H H 1 8.294 0.020 A 9 ARG HA H 1 4.192 0.020 A 9 ARG HBx H 1 1.863 0.020 A 9 ARG HBy H 1 1.863 0.020 A 9 ARG HDx H 1 3.123 0.020 A 9 ARG HDy H 1 3.123 0.020 A 9 ARG HGy H 1 1.655 0.020 A 9 ARG HGx H 1 1.551 0.020 A 9 ARG CA C 13 58.318 0.400 A 9 ARG CB C 13 29.986 0.400 A 9 ARG CD C 13 43.284 0.400 A 9 ARG CG C 13 27.381 0.400 A 9 ARG N N 15 122.998 0.400 A 10 ARG H H 1 7.998 0.020 A 10 ARG HA H 1 4.041 0.020 A 10 ARG HBx H 1 1.866 0.020 A 10 ARG HBy H 1 1.866 0.020 A 10 ARG HDx H 1 3.185 0.020 A 10 ARG HDy H 1 3.185 0.020 A 10 ARG HGy H 1 1.662 0.020 A 10 ARG HGx H 1 1.536 0.020 A 10 ARG CA C 13 58.697 0.400 A 10 ARG CB C 13 30.207 0.400 A 10 ARG CD C 13 43.328 0.400 A 10 ARG CG C 13 27.643 0.400 A 10 ARG N N 15 119.619 0.400 A 11 LEU H H 1 8.131 0.020 A 11 LEU HA H 1 4.207 0.020 A 11 LEU HBx H 1 1.760 0.020 A 11 LEU HBy H 1 1.760 0.020 A 11 LEU HDx% H 1 0.891 0.020 A 11 LEU HDy% H 1 0.891 0.020 A 11 LEU HG H 1 1.669 0.020 A 11 LEU CA C 13 57.163 0.400 A 11 LEU CB C 13 41.921 0.400 A 11 LEU CDy C 13 24.743 0.400 A 11 LEU CDx C 13 23.683 0.400 A 11 LEU CG C 13 27.113 0.400 A 11 LEU N N 15 120.632 0.400 A 12 SER H H 1 8.123 0.020 A 12 SER HA H 1 4.283 0.020 A 12 SER HBy H 1 4.108 0.020 A 12 SER HBx H 1 4.007 0.020 A 12 SER CA C 13 61.076 0.400 A 12 SER CB C 13 63.160 0.400 A 12 SER N N 15 116.206 0.400 A 13 ILE H H 1 8.128 0.020 A 13 ILE HA H 1 4.170 0.020 A 13 ILE HB H 1 1.756 0.020 A 13 ILE HD1% H 1 0.530 0.020 A 13 ILE HG1y H 1 1.466 0.020 A 13 ILE HG1x H 1 0.785 0.020 A 13 ILE HG2% H 1 0.524 0.020 A 13 ILE CA C 13 64.876 0.400 A 13 ILE CB C 13 37.668 0.400 A 13 ILE CD1 C 13 13.099 0.400 A 13 ILE CG1 C 13 29.192 0.400 A 13 ILE CG2 C 13 17.123 0.400 A 13 ILE N N 15 123.223 0.400 A 14 GLN H H 1 8.097 0.020 A 14 GLN HA H 1 3.990 0.020 A 14 GLN HBx H 1 2.194 0.020 A 14 GLN HBy H 1 2.194 0.020 A 14 GLN HGy H 1 2.487 0.020 A 14 GLN HGx H 1 2.450 0.020 A 14 GLN CA C 13 59.479 0.400 A 14 GLN CB C 13 28.259 0.400 A 14 GLN CG C 13 34.075 0.400 A 14 GLN N N 15 118.904 0.400 A 15 ARG H H 1 8.195 0.020 A 15 ARG HA H 1 4.125 0.020 A 15 ARG HBy H 1 1.951 0.020 A 15 ARG HBx H 1 1.850 0.020 A 15 ARG HDx H 1 3.235 0.020 A 15 ARG HDy H 1 3.235 0.020 A 15 ARG HGx H 1 1.663 0.020 A 15 ARG HGy H 1 1.663 0.020 A 15 ARG CA C 13 59.370 0.400 A 15 ARG CB C 13 30.221 0.400 A 15 ARG CD C 13 43.535 0.400 A 15 ARG CG C 13 27.958 0.400 A 15 ARG N N 15 119.078 0.400 A 16 ALA H H 1 8.088 0.020 A 16 ALA HA H 1 4.155 0.020 A 16 ALA HB% H 1 1.485 0.020 A 16 ALA CA C 13 55.480 0.400 A 16 ALA CB C 13 18.571 0.400 A 16 ALA N N 15 123.986 0.400 A 17 ILE H H 1 8.566 0.020 A 17 ILE HA H 1 3.670 0.020 A 17 ILE HB H 1 2.107 0.020 A 17 ILE HD1% H 1 0.940 0.020 A 17 ILE HG1x H 1 1.224 0.020 A 17 ILE HG1y H 1 1.224 0.020 A 17 ILE HG2% H 1 1.073 0.020 A 17 ILE CA C 13 65.211 0.400 A 17 ILE CB C 13 37.516 0.400 A 17 ILE CD1 C 13 14.383 0.400 A 17 ILE CG1 C 13 29.566 0.400 A 17 ILE CG2 C 13 18.407 0.400 A 17 ILE N N 15 118.206 0.400 A 18 GLN H H 1 8.173 0.020 A 18 GLN HA H 1 4.077 0.020 A 18 GLN HBy H 1 2.286 0.020 A 18 GLN HBx H 1 2.196 0.020 A 18 GLN HGy H 1 2.619 0.020 A 18 GLN HGx H 1 2.501 0.020 A 18 GLN CA C 13 59.298 0.400 A 18 GLN CB C 13 28.130 0.400 A 18 GLN CG C 13 34.160 0.400 A 18 GLN N N 15 118.811 0.400 A 19 SER H H 1 8.191 0.020 A 19 SER HA H 1 4.381 0.020 A 19 SER CA C 13 61.931 0.400 A 19 SER CB C 13 62.986 0.400 A 19 SER N N 15 116.044 0.400 A 20 LEU H H 1 8.250 0.020 A 20 LEU HA H 1 4.027 0.020 A 20 LEU HBy H 1 2.091 0.020 A 20 LEU HBx H 1 1.640 0.020 A 20 LEU HDx% H 1 0.834 0.020 A 20 LEU HDy% H 1 0.891 0.020 A 20 LEU HG H 1 1.495 0.020 A 20 LEU CA C 13 58.652 0.400 A 20 LEU CB C 13 42.266 0.400 A 20 LEU CDy C 13 25.975 0.400 A 20 LEU CDx C 13 23.465 0.400 A 20 LEU CG C 13 27.289 0.400 A 20 LEU N N 15 125.406 0.400 A 21 VAL H H 1 8.519 0.020 A 21 VAL HA H 1 3.276 0.020 A 21 VAL HB H 1 2.097 0.020 A 21 VAL HGx% H 1 0.920 0.020 A 21 VAL HGy% H 1 0.920 0.020 A 21 VAL CA C 13 66.910 0.400 A 21 VAL CB C 13 31.772 0.400 A 21 VAL CGy C 13 23.343 0.400 A 21 VAL CGx C 13 21.025 0.400 A 21 VAL N N 15 118.544 0.400 A 22 HIS H H 1 7.932 0.020 A 22 HIS HA H 1 4.197 0.020 A 22 HIS HBx H 1 3.281 0.020 A 22 HIS HBy H 1 3.281 0.020 A 22 HIS HD2 H 1 7.181 0.020 A 22 HIS HE1 H 1 7.950 0.020 A 22 HIS CA C 13 60.178 0.400 A 22 HIS CB C 13 27.803 0.400 A 22 HIS CD2 C 13 129.630 0.400 A 22 HIS CE1 C 13 139.492 0.400 A 22 HIS N N 15 115.729 0.400 A 22 HIS ND1 N 15 172.448 0.400 A 22 HIS NE2 N 15 218.406 0.400 A 23 ALA H H 1 8.607 0.020 A 23 ALA HA H 1 4.150 0.020 A 23 ALA HB% H 1 1.561 0.020 A 23 ALA CA C 13 55.146 0.400 A 23 ALA CB C 13 19.809 0.400 A 23 ALA N N 15 121.252 0.400 A 24 ALA H H 1 8.230 0.020 A 24 ALA HA H 1 4.047 0.020 A 24 ALA HB% H 1 1.373 0.020 A 24 ALA CA C 13 53.993 0.400 A 24 ALA CB C 13 18.553 0.400 A 24 ALA N N 15 116.504 0.400 A 25 GLN H H 1 7.208 0.020 A 25 GLN HA H 1 4.481 0.020 A 25 GLN HBy H 1 2.163 0.020 A 25 GLN HBx H 1 1.994 0.020 A 25 GLN HGy H 1 2.467 0.020 A 25 GLN HGx H 1 2.280 0.020 A 25 GLN CA C 13 54.508 0.400 A 25 GLN CB C 13 30.772 0.400 A 25 GLN CG C 13 33.456 0.400 A 25 GLN N N 15 111.802 0.400 A 26 CYS H H 1 7.275 0.020 A 26 CYS HA H 1 3.887 0.020 A 26 CYS HBy H 1 2.538 0.020 A 26 CYS HBx H 1 2.057 0.020 A 26 CYS CA C 13 60.864 0.400 A 26 CYS CB C 13 29.208 0.400 A 26 CYS N N 15 124.314 0.400 A 27 ARG H H 1 8.879 0.020 A 27 ARG HA H 1 4.593 0.020 A 27 ARG HBx H 1 2.139 0.020 A 27 ARG HBy H 1 2.139 0.020 A 27 ARG HDx H 1 3.179 0.020 A 27 ARG HDy H 1 3.179 0.020 A 27 ARG HGx H 1 1.627 0.020 A 27 ARG HGy H 1 1.627 0.020 A 27 ARG CA C 13 54.645 0.400 A 27 ARG CB C 13 30.103 0.400 A 27 ARG CD C 13 43.207 0.400 A 27 ARG CG C 13 26.934 0.400 A 27 ARG N N 15 129.562 0.400 A 28 ASN H H 1 7.898 0.020 A 28 ASN HA H 1 4.840 0.020 A 28 ASN HBy H 1 2.975 0.020 A 28 ASN HBx H 1 2.853 0.020 A 28 ASN CA C 13 51.843 0.400 A 28 ASN CB C 13 39.070 0.400 A 28 ASN N N 15 120.386 0.400 A 29 ALA H H 1 9.147 0.020 A 29 ALA HA H 1 4.085 0.020 A 29 ALA HB% H 1 1.431 0.020 A 29 ALA CA C 13 54.436 0.400 A 29 ALA CB C 13 18.462 0.400 A 29 ALA N N 15 130.376 0.400 A 30 ASN H H 1 8.071 0.020 A 30 ASN HA H 1 4.847 0.020 A 30 ASN HBy H 1 2.950 0.020 A 30 ASN HBx H 1 2.607 0.020 A 30 ASN CA C 13 51.892 0.400 A 30 ASN CB C 13 38.859 0.400 A 30 ASN N N 15 114.063 0.400 A 31 CYS H H 1 7.163 0.020 A 31 CYS HA H 1 4.026 0.020 A 31 CYS HBx H 1 3.003 0.020 A 31 CYS HBy H 1 3.003 0.020 A 31 CYS CA C 13 61.743 0.400 A 31 CYS CB C 13 29.996 0.400 A 31 CYS N N 15 123.084 0.400 A 32 SER H H 1 8.798 0.020 A 32 SER HA H 1 4.588 0.020 A 32 SER HBy H 1 4.119 0.020 A 32 SER HBx H 1 3.868 0.020 A 32 SER CA C 13 57.941 0.400 A 32 SER CB C 13 64.049 0.400 A 32 SER N N 15 124.349 0.400 A 33 LEU H H 1 8.506 0.020 A 33 LEU CA C 13 54.281 0.400 A 33 LEU CB C 13 40.925 0.400 A 33 LEU N N 15 128.674 0.400 A 34 PRO HA H 1 4.317 0.020 A 34 PRO HBy H 1 2.397 0.020 A 34 PRO HBx H 1 2.177 0.020 A 34 PRO HDy H 1 4.205 0.020 A 34 PRO HDx H 1 3.767 0.020 A 34 PRO HGy H 1 2.061 0.020 A 34 PRO HGx H 1 2.003 0.020 A 34 PRO CA C 13 65.368 0.400 A 34 PRO CB C 13 31.904 0.400 A 34 PRO CD C 13 51.035 0.400 A 34 PRO CG C 13 27.823 0.400 A 35 SER H H 1 8.358 0.020 A 35 SER HA H 1 4.263 0.020 A 35 SER HBy H 1 4.086 0.020 A 35 SER HBx H 1 3.998 0.020 A 35 SER CA C 13 60.465 0.400 A 35 SER CB C 13 63.041 0.400 A 35 SER N N 15 111.823 0.400 A 36 CYS H H 1 7.496 0.020 A 36 CYS CA C 13 63.938 0.400 A 36 CYS CB C 13 29.775 0.400 A 36 CYS N N 15 125.600 0.400 A 37 GLN H H 1 8.174 0.020 A 37 GLN HA H 1 3.964 0.020 A 37 GLN HBy H 1 2.183 0.020 A 37 GLN HBx H 1 2.129 0.020 A 37 GLN HGy H 1 2.532 0.020 A 37 GLN HGx H 1 2.475 0.020 A 37 GLN CA C 13 59.877 0.400 A 37 GLN CB C 13 28.166 0.400 A 37 GLN CG C 13 34.121 0.400 A 37 GLN N N 15 115.935 0.400 A 38 LYS H H 1 7.957 0.020 A 38 LYS HA H 1 4.045 0.020 A 38 LYS HBx H 1 1.818 0.020 A 38 LYS HBy H 1 1.818 0.020 A 38 LYS HDy H 1 1.646 0.020 A 38 LYS HDx H 1 1.538 0.020 A 38 LYS HEx H 1 2.912 0.020 A 38 LYS HEy H 1 2.912 0.020 A 38 LYS HGx H 1 1.376 0.020 A 38 LYS HGy H 1 1.376 0.020 A 38 LYS CA C 13 59.608 0.400 A 38 LYS CB C 13 32.700 0.400 A 38 LYS CD C 13 29.549 0.400 A 38 LYS CE C 13 42.196 0.400 A 38 LYS CG C 13 25.288 0.400 A 38 LYS N N 15 117.232 0.400 A 39 MET H H 1 8.283 0.020 A 39 MET HA H 1 4.557 0.020 A 39 MET HBy H 1 2.321 0.020 A 39 MET HBx H 1 1.863 0.020 A 39 MET HE% H 1 1.931 0.020 A 39 MET HGy H 1 2.701 0.020 A 39 MET HGx H 1 2.531 0.020 A 39 MET CA C 13 56.699 0.400 A 39 MET CB C 13 31.780 0.400 A 39 MET CE C 13 17.236 0.400 A 39 MET CG C 13 33.442 0.400 A 39 MET N N 15 118.055 0.400 A 40 LYS H H 1 9.517 0.020 A 40 LYS HA H 1 3.808 0.020 A 40 LYS HBy H 1 2.126 0.020 A 40 LYS HBx H 1 1.971 0.020 A 40 LYS HDy H 1 1.837 0.020 A 40 LYS HDx H 1 1.671 0.020 A 40 LYS HEy H 1 3.262 0.020 A 40 LYS HEx H 1 3.126 0.020 A 40 LYS HGx H 1 1.374 0.020 A 40 LYS HGy H 1 1.374 0.020 A 40 LYS CA C 13 61.442 0.400 A 40 LYS CB C 13 32.770 0.400 A 40 LYS CD C 13 30.110 0.400 A 40 LYS CE C 13 42.954 0.400 A 40 LYS CG C 13 27.407 0.400 A 40 LYS N N 15 121.877 0.400 A 41 ARG H H 1 7.555 0.020 A 41 ARG HA H 1 4.167 0.020 A 41 ARG HBy H 1 2.138 0.020 A 41 ARG HBx H 1 1.979 0.020 A 41 ARG HDx H 1 3.262 0.020 A 41 ARG HDy H 1 3.262 0.020 A 41 ARG HGx H 1 1.708 0.020 A 41 ARG HGy H 1 1.708 0.020 A 41 ARG CA C 13 59.615 0.400 A 41 ARG CB C 13 29.990 0.400 A 41 ARG CD C 13 43.679 0.400 A 41 ARG CG C 13 27.940 0.400 A 41 ARG N N 15 117.991 0.400 A 42 VAL H H 1 7.619 0.020 A 42 VAL HA H 1 3.720 0.020 A 42 VAL HB H 1 2.405 0.020 A 42 VAL HGx% H 1 1.044 0.020 A 42 VAL HGy% H 1 0.914 0.020 A 42 VAL CA C 13 66.664 0.400 A 42 VAL CB C 13 31.448 0.400 A 42 VAL CGx C 13 22.846 0.400 A 42 VAL N N 15 121.670 0.400 A 43 VAL H H 1 8.437 0.020 A 43 VAL HA H 1 3.490 0.020 A 43 VAL HB H 1 2.216 0.020 A 43 VAL HGx% H 1 0.945 0.020 A 43 VAL HGy% H 1 0.945 0.020 A 43 VAL CA C 13 67.376 0.400 A 43 VAL CB C 13 31.553 0.400 A 43 VAL CGy C 13 23.148 0.400 A 43 VAL CGx C 13 21.453 0.400 A 43 VAL N N 15 120.504 0.400 A 44 GLN H H 1 8.386 0.020 A 44 GLN HA H 1 3.972 0.020 A 44 GLN HBy H 1 2.205 0.020 A 44 GLN HBx H 1 2.167 0.020 A 44 GLN HGx H 1 2.494 0.020 A 44 GLN HGy H 1 2.494 0.020 A 44 GLN CA C 13 58.886 0.400 A 44 GLN CB C 13 28.087 0.400 A 44 GLN CG C 13 33.711 0.400 A 44 GLN N N 15 119.114 0.400 A 45 HIS H H 1 8.132 0.020 A 45 HIS HA H 1 4.251 0.020 A 45 HIS HBy H 1 3.896 0.020 A 45 HIS HBx H 1 3.363 0.020 A 45 HIS HD2 H 1 6.928 0.020 A 45 HIS HE1 H 1 8.083 0.020 A 45 HIS CA C 13 59.897 0.400 A 45 HIS CB C 13 27.193 0.400 A 45 HIS CD2 C 13 128.953 0.400 A 45 HIS CE1 C 13 140.118 0.400 A 45 HIS N N 15 119.095 0.400 A 45 HIS ND1 N 15 173.060 0.400 A 45 HIS NE2 N 15 220.253 0.400 A 46 THR H H 1 7.850 0.020 A 46 THR HA H 1 3.830 0.020 A 46 THR HB H 1 4.212 0.020 A 46 THR HG2% H 1 1.652 0.020 A 46 THR CA C 13 65.725 0.400 A 46 THR CB C 13 69.530 0.400 A 46 THR CG2 C 13 22.148 0.400 A 46 THR N N 15 110.370 0.400 A 47 LYS H H 1 7.329 0.020 A 47 LYS HA H 1 4.064 0.020 A 47 LYS HBx H 1 1.866 0.020 A 47 LYS HBy H 1 1.866 0.020 A 47 LYS HDx H 1 1.638 0.020 A 47 LYS HDy H 1 1.638 0.020 A 47 LYS HEx H 1 2.883 0.020 A 47 LYS HEy H 1 2.883 0.020 A 47 LYS HGx H 1 1.429 0.020 A 47 LYS HGy H 1 1.429 0.020 A 47 LYS CA C 13 58.672 0.400 A 47 LYS CB C 13 32.118 0.400 A 47 LYS CD C 13 29.172 0.400 A 47 LYS CE C 13 42.265 0.400 A 47 LYS CG C 13 25.312 0.400 A 47 LYS N N 15 120.287 0.400 A 48 GLY H H 1 7.152 0.020 A 48 GLY HAy H 1 4.373 0.020 A 48 GLY HAx H 1 3.625 0.020 A 48 GLY CA C 13 44.684 0.400 A 48 GLY N N 15 103.909 0.400 A 49 CYS H H 1 6.912 0.020 A 49 CYS HA H 1 3.969 0.020 A 49 CYS HBy H 1 2.708 0.020 A 49 CYS HBx H 1 2.043 0.020 A 49 CYS CA C 13 61.154 0.400 A 49 CYS CB C 13 29.811 0.400 A 49 CYS N N 15 123.256 0.400 A 50 LYS H H 1 8.994 0.020 A 50 LYS HA H 1 4.506 0.020 A 50 LYS HBy H 1 2.062 0.020 A 50 LYS HBx H 1 1.832 0.020 A 50 LYS HDx H 1 1.721 0.020 A 50 LYS HDy H 1 1.721 0.020 A 50 LYS HEx H 1 3.054 0.020 A 50 LYS HEy H 1 3.054 0.020 A 50 LYS HGy H 1 1.613 0.020 A 50 LYS HGx H 1 1.528 0.020 A 50 LYS CA C 13 56.595 0.400 A 50 LYS CB C 13 32.840 0.400 A 50 LYS CD C 13 28.882 0.400 A 50 LYS CE C 13 42.327 0.400 A 50 LYS CG C 13 25.039 0.400 A 50 LYS N N 15 128.150 0.400 A 51 ARG H H 1 8.517 0.020 A 51 ARG HA H 1 4.393 0.020 A 51 ARG HBx H 1 1.797 0.020 A 51 ARG HBy H 1 1.797 0.020 A 51 ARG HDx H 1 3.283 0.020 A 51 ARG HDy H 1 3.283 0.020 A 51 ARG HGx H 1 1.852 0.020 A 51 ARG HGy H 1 1.852 0.020 A 51 ARG CA C 13 57.674 0.400 A 51 ARG CB C 13 31.658 0.400 A 51 ARG CD C 13 43.718 0.400 A 51 ARG CG C 13 27.736 0.400 A 51 ARG N N 15 122.401 0.400 A 52 LYS H H 1 8.468 0.020 A 52 LYS HA H 1 4.517 0.020 A 52 LYS HBy H 1 2.299 0.020 A 52 LYS HBx H 1 2.055 0.020 A 52 LYS HDy H 1 1.774 0.020 A 52 LYS HDx H 1 1.610 0.020 A 52 LYS HEx H 1 3.161 0.020 A 52 LYS HEy H 1 3.161 0.020 A 52 LYS HGx H 1 1.376 0.020 A 52 LYS HGy H 1 1.376 0.020 A 52 LYS CA C 13 57.716 0.400 A 52 LYS CB C 13 32.282 0.400 A 52 LYS CD C 13 29.754 0.400 A 52 LYS CE C 13 42.712 0.400 A 52 LYS CG C 13 24.844 0.400 A 52 LYS N N 15 118.753 0.400 A 53 THR H H 1 7.766 0.020 A 53 THR CA C 13 63.878 0.400 A 53 THR CB C 13 68.821 0.400 A 53 THR N N 15 112.969 0.400 A 54 ASN HA H 1 4.714 0.020 A 54 ASN HBx H 1 2.870 0.020 A 54 ASN HBy H 1 2.870 0.020 A 54 ASN CA C 13 53.812 0.400 A 54 ASN CB C 13 38.287 0.400 A 55 GLY H H 1 7.968 0.020 A 55 GLY HAx H 1 3.977 0.020 A 55 GLY HAy H 1 3.977 0.020 A 55 GLY CA C 13 45.809 0.400 A 55 GLY N N 15 107.378 0.400 A 56 GLY H H 1 7.796 0.020 A 56 GLY HAy H 1 3.990 0.020 A 56 GLY HAx H 1 3.876 0.020 A 56 GLY CA C 13 45.548 0.400 A 56 GLY N N 15 107.056 0.400 A 57 CYS H H 1 8.013 0.020 A 57 CYS CA C 13 55.625 0.400 A 57 CYS CB C 13 30.728 0.400 A 57 CYS N N 15 122.484 0.400 A 58 PRO HA H 1 4.300 0.020 A 58 PRO HBx H 1 2.341 0.020 A 58 PRO HBy H 1 2.341 0.020 A 58 PRO HDx H 1 4.042 0.020 A 58 PRO HDy H 1 4.042 0.020 A 58 PRO HGy H 1 2.083 0.020 A 58 PRO HGx H 1 1.902 0.020 A 58 PRO CA C 13 65.027 0.400 A 58 PRO CB C 13 32.457 0.400 A 58 PRO CD C 13 51.532 0.400 A 58 PRO CG C 13 27.357 0.400 A 59 ILE H H 1 7.811 0.020 A 59 ILE HA H 1 3.740 0.020 A 59 ILE HB H 1 1.483 0.020 A 59 ILE HD1% H 1 0.422 0.020 A 59 ILE HG1x H 1 0.900 0.020 A 59 ILE HG1y H 1 0.900 0.020 A 59 ILE HG2% H 1 0.705 0.020 A 59 ILE CA C 13 64.847 0.400 A 59 ILE CB C 13 39.013 0.400 A 59 ILE CD1 C 13 12.701 0.400 A 59 ILE CG1 C 13 27.934 0.400 A 59 ILE CG2 C 13 18.336 0.400 A 59 ILE N N 15 121.297 0.400 A 60 CYS H H 1 8.888 0.020 A 60 CYS CA C 13 66.369 0.400 A 60 CYS CB C 13 29.283 0.400 A 60 CYS N N 15 123.650 0.400 A 61 LYS HA H 1 3.848 0.020 A 61 LYS HBy H 1 1.832 0.020 A 61 LYS HBx H 1 1.752 0.020 A 61 LYS HEx H 1 2.877 0.020 A 61 LYS HEy H 1 2.877 0.020 A 61 LYS HGx H 1 1.327 0.020 A 61 LYS HGy H 1 1.327 0.020 A 61 LYS CA C 13 60.127 0.400 A 61 LYS CB C 13 32.653 0.400 A 61 LYS CD C 13 29.503 0.400 A 61 LYS CE C 13 41.948 0.400 A 61 LYS CG C 13 25.477 0.400 A 62 GLN H H 1 7.304 0.020 A 62 GLN HA H 1 4.151 0.020 A 62 GLN HBx H 1 2.339 0.020 A 62 GLN HBy H 1 2.339 0.020 A 62 GLN HGx H 1 2.231 0.020 A 62 GLN HGy H 1 2.231 0.020 A 62 GLN CA C 13 58.641 0.400 A 62 GLN CB C 13 28.855 0.400 A 62 GLN CG C 13 34.264 0.400 A 62 GLN N N 15 117.651 0.400 A 63 LEU H H 1 8.169 0.020 A 63 LEU HBx H 1 1.917 0.020 A 63 LEU HBy H 1 1.917 0.020 A 63 LEU HDx% H 1 1.040 0.020 A 63 LEU HDy% H 1 1.040 0.020 A 63 LEU HG H 1 2.006 0.020 A 63 LEU CA C 13 58.016 0.400 A 63 LEU CB C 13 41.831 0.400 A 63 LEU CDx C 13 25.162 0.400 A 63 LEU CG C 13 27.536 0.400 A 63 LEU N N 15 120.151 0.400 A 64 ILE H H 1 8.533 0.020 A 64 ILE HA H 1 3.549 0.020 A 64 ILE HB H 1 1.431 0.020 A 64 ILE HD1% H 1 0.371 0.020 A 64 ILE HG1x H 1 1.074 0.020 A 64 ILE HG1y H 1 1.074 0.020 A 64 ILE HG2% H 1 0.768 0.020 A 64 ILE CA C 13 65.457 0.400 A 64 ILE CB C 13 37.346 0.400 A 64 ILE CD1 C 13 13.492 0.400 A 64 ILE CG1 C 13 30.018 0.400 A 64 ILE CG2 C 13 17.213 0.400 A 64 ILE N N 15 120.188 0.400 A 65 ALA H H 1 7.341 0.020 A 65 ALA HA H 1 4.111 0.020 A 65 ALA HB% H 1 1.514 0.020 A 65 ALA CA C 13 55.217 0.400 A 65 ALA CB C 13 18.236 0.400 A 65 ALA N N 15 122.175 0.400 A 66 LEU H H 1 7.809 0.020 A 66 LEU HA H 1 4.113 0.020 A 66 LEU HBx H 1 1.917 0.020 A 66 LEU HBy H 1 1.917 0.020 A 66 LEU HDx% H 1 0.789 0.020 A 66 LEU HDy% H 1 0.751 0.020 A 66 LEU HG H 1 1.827 0.020 A 66 LEU CA C 13 57.917 0.400 A 66 LEU CB C 13 42.354 0.400 A 66 LEU CDy C 13 25.522 0.400 A 66 LEU CDx C 13 24.412 0.400 A 66 LEU CG C 13 26.580 0.400 A 66 LEU N N 15 117.844 0.400 A 67 ALA H H 1 8.927 0.020 A 67 ALA HA H 1 3.916 0.020 A 67 ALA HB% H 1 1.679 0.020 A 67 ALA CA C 13 55.855 0.400 A 67 ALA CB C 13 19.090 0.400 A 67 ALA N N 15 121.590 0.400 A 68 ALA H H 1 8.652 0.020 A 68 ALA HA H 1 4.108 0.020 A 68 ALA HB% H 1 1.512 0.020 A 68 ALA CA C 13 55.499 0.400 A 68 ALA CB C 13 18.113 0.400 A 68 ALA N N 15 119.817 0.400 A 69 TYR H H 1 7.693 0.020 A 69 TYR HD1 H 1 7.109 0.020 A 69 TYR HD2 H 1 7.109 0.020 A 69 TYR HE1 H 1 6.813 0.020 A 69 TYR HE2 H 1 6.813 0.020 A 69 TYR CA C 13 61.436 0.400 A 69 TYR CB C 13 38.477 0.400 A 69 TYR CDy C 13 133.223 0.400 A 69 TYR CDx C 13 133.187 0.400 A 69 TYR CEx C 13 118.209 0.400 A 69 TYR CEy C 13 118.236 0.400 A 69 TYR N N 15 118.611 0.400 A 70 HIS HA H 1 4.379 0.020 A 70 HIS HBy H 1 3.558 0.020 A 70 HIS HBx H 1 3.204 0.020 A 70 HIS HD2 H 1 7.285 0.020 A 70 HIS HE1 H 1 8.050 0.020 A 70 HIS CA C 13 58.837 0.400 A 70 HIS CB C 13 27.799 0.400 A 70 HIS CD2 C 13 129.304 0.400 A 70 HIS CE1 C 13 140.238 0.400 A 70 HIS ND1 N 15 172.548 0.400 A 70 HIS NE2 N 15 221.200 0.400 A 71 ALA H H 1 9.236 0.020 A 71 ALA HA H 1 3.924 0.020 A 71 ALA HB% H 1 1.590 0.020 A 71 ALA CA C 13 54.779 0.400 A 71 ALA CB C 13 19.803 0.400 A 71 ALA N N 15 122.206 0.400 A 72 LYS H H 1 6.938 0.020 A 72 LYS HA H 1 3.831 0.020 A 72 LYS HBy H 1 1.573 0.020 A 72 LYS HBx H 1 1.416 0.020 A 72 LYS HDx H 1 1.548 0.020 A 72 LYS HDy H 1 1.548 0.020 A 72 LYS HEx H 1 2.863 0.020 A 72 LYS HEy H 1 2.863 0.020 A 72 LYS HGy H 1 1.274 0.020 A 72 LYS HGx H 1 1.165 0.020 A 72 LYS CA C 13 58.208 0.400 A 72 LYS CB C 13 32.520 0.400 A 72 LYS CD C 13 29.001 0.400 A 72 LYS CE C 13 42.119 0.400 A 72 LYS CG C 13 24.478 0.400 A 72 LYS N N 15 114.437 0.400 A 73 HIS H H 1 7.080 0.020 A 73 HIS HA H 1 4.811 0.020 A 73 HIS HBy H 1 3.413 0.020 A 73 HIS HBx H 1 2.892 0.020 A 73 HIS HD2 H 1 7.083 0.020 A 73 HIS HE1 H 1 8.019 0.020 A 73 HIS CA C 13 54.325 0.400 A 73 HIS CB C 13 30.317 0.400 A 73 HIS CD2 C 13 121.169 0.400 A 73 HIS CE1 C 13 137.490 0.400 A 73 HIS N N 15 112.718 0.400 A 73 HIS ND1 N 15 184.086 0.400 A 73 HIS NE2 N 15 196.528 0.400 A 74 CYS H H 1 6.990 0.020 A 74 CYS HA H 1 4.112 0.020 A 74 CYS HBy H 1 2.452 0.020 A 74 CYS HBx H 1 1.761 0.020 A 74 CYS CA C 13 60.103 0.400 A 74 CYS CB C 13 30.127 0.400 A 74 CYS N N 15 123.370 0.400 A 75 GLN H H 1 9.125 0.020 A 75 GLN HA H 1 4.662 0.020 A 75 GLN HBx H 1 1.835 0.020 A 75 GLN HBy H 1 1.835 0.020 A 75 GLN HGx H 1 2.326 0.020 A 75 GLN HGy H 1 2.326 0.020 A 75 GLN CA C 13 54.626 0.400 A 75 GLN CB C 13 29.358 0.400 A 75 GLN CG C 13 33.758 0.400 A 75 GLN N N 15 128.641 0.400 A 76 GLU H H 1 8.234 0.020 A 76 GLU HA H 1 4.384 0.020 A 76 GLU HBy H 1 1.996 0.020 A 76 GLU HBx H 1 1.947 0.020 A 76 GLU HGx H 1 2.359 0.020 A 76 GLU HGy H 1 2.359 0.020 A 76 GLU CA C 13 55.860 0.400 A 76 GLU CB C 13 30.404 0.400 A 76 GLU CG C 13 35.797 0.400 A 76 GLU N N 15 122.786 0.400 A 77 ASN H H 1 8.907 0.020 A 77 ASN HA H 1 4.498 0.020 A 77 ASN HBx H 1 2.825 0.020 A 77 ASN HBy H 1 2.825 0.020 A 77 ASN CA C 13 55.191 0.400 A 77 ASN CB C 13 38.486 0.400 A 77 ASN N N 15 125.654 0.400 A 78 LYS H H 1 8.748 0.020 A 78 LYS HA H 1 4.424 0.020 A 78 LYS HBx H 1 1.917 0.020 A 78 LYS HBy H 1 1.917 0.020 A 78 LYS HDx H 1 1.655 0.020 A 78 LYS HDy H 1 1.655 0.020 A 78 LYS HEx H 1 2.979 0.020 A 78 LYS HEy H 1 2.979 0.020 A 78 LYS HGx H 1 1.333 0.020 A 78 LYS HGy H 1 1.333 0.020 A 78 LYS CA C 13 54.570 0.400 A 78 LYS CB C 13 30.975 0.400 A 78 LYS CD C 13 29.146 0.400 A 78 LYS CE C 13 42.217 0.400 A 78 LYS CG C 13 24.712 0.400 A 78 LYS N N 15 120.741 0.400 A 79 CYS H H 1 6.933 0.020 A 79 CYS CA C 13 57.842 0.400 A 79 CYS CB C 13 30.709 0.400 A 79 CYS N N 15 123.810 0.400 A 80 PRO HA H 1 4.676 0.020 A 80 PRO HDy H 1 4.146 0.020 A 80 PRO HDx H 1 3.849 0.020 A 80 PRO HGy H 1 2.094 0.020 A 80 PRO HGx H 1 2.044 0.020 A 80 PRO CA C 13 62.901 0.400 A 80 PRO CB C 13 32.067 0.400 A 80 PRO CD C 13 51.375 0.400 A 80 PRO CG C 13 26.480 0.400 A 81 VAL H H 1 9.044 0.020 A 81 VAL HA H 1 3.527 0.020 A 81 VAL HB H 1 2.211 0.020 A 81 VAL HGx% H 1 0.408 0.020 A 81 VAL HGy% H 1 0.690 0.020 A 81 VAL CA C 13 62.499 0.400 A 81 VAL CB C 13 31.578 0.400 A 81 VAL CGy C 13 24.089 0.400 A 81 VAL CGx C 13 19.705 0.400 A 81 VAL N N 15 127.833 0.400 A 82 PRO HA H 1 3.982 0.020 A 82 PRO HBx H 1 1.673 0.020 A 82 PRO HBy H 1 1.673 0.020 A 82 PRO HDy H 1 4.000 0.020 A 82 PRO HDx H 1 3.400 0.020 A 82 PRO HGy H 1 1.953 0.020 A 82 PRO HGx H 1 1.897 0.020 A 82 PRO CA C 13 64.188 0.400 A 82 PRO CB C 13 31.550 0.400 A 82 PRO CD C 13 50.473 0.400 A 82 PRO CG C 13 28.453 0.400 A 83 PHE H H 1 7.966 0.020 A 83 PHE HA H 1 4.199 0.020 A 83 PHE HBy H 1 3.545 0.020 A 83 PHE HBx H 1 3.213 0.020 A 83 PHE HD1 H 1 7.096 0.020 A 83 PHE HD2 H 1 7.096 0.020 A 83 PHE HE1 H 1 7.353 0.020 A 83 PHE HE2 H 1 7.353 0.020 A 83 PHE HZ H 1 7.388 0.020 A 83 PHE CA C 13 60.914 0.400 A 83 PHE CB C 13 37.271 0.400 A 83 PHE CDx C 13 131.854 0.400 A 83 PHE CDy C 13 131.948 0.400 A 83 PHE CEx C 13 131.107 0.400 A 83 PHE CEy C 13 131.107 0.400 A 83 PHE CZ C 13 129.194 0.400 A 83 PHE N N 15 111.249 0.400 A 84 CYS H H 1 7.775 0.020 A 84 CYS HA H 1 3.979 0.020 A 84 CYS HBy H 1 3.240 0.020 A 84 CYS HBx H 1 2.766 0.020 A 84 CYS CA C 13 64.947 0.400 A 84 CYS CB C 13 29.852 0.400 A 84 CYS N N 15 124.158 0.400 A 85 LEU H H 1 8.221 0.020 A 85 LEU HA H 1 4.020 0.020 A 85 LEU HBx H 1 1.759 0.020 A 85 LEU HBy H 1 1.759 0.020 A 85 LEU HDx% H 1 0.943 0.020 A 85 LEU HDy% H 1 0.943 0.020 A 85 LEU HG H 1 1.540 0.020 A 85 LEU CA C 13 58.341 0.400 A 85 LEU CB C 13 41.075 0.400 A 85 LEU CDy C 13 24.920 0.400 A 85 LEU CDx C 13 24.111 0.400 A 85 LEU CG C 13 27.124 0.400 A 85 LEU N N 15 114.545 0.400 A 86 ASN H H 1 7.735 0.020 A 86 ASN HA H 1 4.385 0.020 A 86 ASN HBx H 1 2.831 0.020 A 86 ASN HBy H 1 2.831 0.020 A 86 ASN CA C 13 56.541 0.400 A 86 ASN CB C 13 38.812 0.400 A 86 ASN N N 15 115.544 0.400 A 87 ILE H H 1 8.409 0.020 A 87 ILE HA H 1 4.218 0.020 A 87 ILE HD1% H 1 0.766 0.020 A 87 ILE HG2% H 1 0.835 0.020 A 87 ILE CA C 13 64.596 0.400 A 87 ILE CB C 13 38.006 0.400 A 87 ILE CD1 C 13 13.524 0.400 A 87 ILE CG2 C 13 17.768 0.400 A 87 ILE N N 15 120.924 0.400 A 88 LYS H H 1 8.541 0.020 A 88 LYS HA H 1 4.008 0.020 A 88 LYS HDx H 1 1.991 0.020 A 88 LYS HDy H 1 1.991 0.020 A 88 LYS HGx H 1 1.446 0.020 A 88 LYS HGy H 1 1.446 0.020 A 88 LYS CA C 13 60.050 0.400 A 88 LYS CB C 13 32.637 0.400 A 88 LYS CD C 13 30.536 0.400 A 88 LYS CE C 13 42.343 0.400 A 88 LYS CG C 13 26.000 0.400 A 88 LYS N N 15 120.144 0.400 A 89 GLN H H 1 8.033 0.020 A 89 GLN HA H 1 4.214 0.020 A 89 GLN HBx H 1 2.178 0.020 A 89 GLN HBy H 1 2.178 0.020 A 89 GLN HGy H 1 2.575 0.020 A 89 GLN HGx H 1 2.436 0.020 A 89 GLN CA C 13 57.320 0.400 A 89 GLN CB C 13 28.851 0.400 A 89 GLN CG C 13 34.196 0.400 A 89 GLN N N 15 117.129 0.400 A 90 LYS H H 1 7.853 0.020 A 90 LYS HA H 1 4.297 0.020 A 90 LYS HBx H 1 1.928 0.020 A 90 LYS HBy H 1 1.928 0.020 A 90 LYS HDx H 1 1.683 0.020 A 90 LYS HDy H 1 1.683 0.020 A 90 LYS HEx H 1 2.988 0.020 A 90 LYS HEy H 1 2.988 0.020 A 90 LYS HGx H 1 1.508 0.020 A 90 LYS HGy H 1 1.508 0.020 A 90 LYS CA C 13 56.944 0.400 A 90 LYS CB C 13 32.538 0.400 A 90 LYS CD C 13 29.061 0.400 A 90 LYS CE C 13 42.267 0.400 A 90 LYS CG C 13 24.842 0.400 A 90 LYS N N 15 119.383 0.400 A 91 GLY H H 1 8.151 0.020 A 91 GLY CA C 13 45.648 0.400 A 91 GLY N N 15 108.202 0.400 A 92 GLY H H 1 8.290 0.020 A 92 GLY HAx H 1 4.026 0.020 A 92 GLY HAy H 1 4.026 0.020 A 92 GLY CA C 13 45.319 0.400 A 92 GLY N N 15 108.623 0.400 A 93 SER H H 1 8.337 0.020 A 93 SER HA H 1 4.486 0.020 A 93 SER HBx H 1 3.901 0.020 A 93 SER HBy H 1 3.901 0.020 A 93 SER CA C 13 58.672 0.400 A 93 SER CB C 13 63.867 0.400 A 93 SER N N 15 115.680 0.400 A 94 GLY H H 1 8.503 0.020 A 94 GLY HAx H 1 3.998 0.020 A 94 GLY HAy H 1 3.998 0.020 A 94 GLY CA C 13 45.448 0.400 A 94 GLY N N 15 110.823 0.400 A 95 GLY H H 1 8.317 0.020 A 95 GLY CA C 13 45.340 0.400 A 95 GLY N N 15 108.800 0.400 A 96 GLY HAx H 1 4.049 0.020 A 96 GLY HAy H 1 4.049 0.020 A 96 GLY CA C 13 45.341 0.400 A 97 THR H H 1 8.165 0.020 A 97 THR HA H 1 4.396 0.020 A 97 THR HB H 1 4.313 0.020 A 97 THR HG2% H 1 1.201 0.020 A 97 THR CA C 13 61.955 0.400 A 97 THR CB C 13 69.817 0.400 A 97 THR CG2 C 13 21.584 0.400 A 97 THR N N 15 112.759 0.400 A 98 GLY H H 1 8.512 0.020 A 98 GLY CA C 13 45.528 0.400 A 98 GLY N N 15 111.233 0.400 A 99 GLY HAx H 1 4.012 0.020 A 99 GLY HAy H 1 4.012 0.020 A 99 GLY CA C 13 45.658 0.400 A 100 GLY H H 1 8.207 0.020 A 100 GLY HAx H 1 4.024 0.020 A 100 GLY HAy H 1 4.024 0.020 A 100 GLY CA C 13 45.430 0.400 A 100 GLY N N 15 108.429 0.400 A 101 SER H H 1 8.301 0.020 A 101 SER CA C 13 58.551 0.400 A 101 SER CB C 13 63.944 0.400 A 101 SER N N 15 115.461 0.400 A 102 GLY HAx H 1 4.020 0.020 A 102 GLY HAy H 1 4.020 0.020 A 102 GLY CA C 13 45.464 0.400 A 103 THR H H 1 8.018 0.020 A 103 THR HA H 1 4.398 0.020 A 103 THR HB H 1 4.216 0.020 A 103 THR HG2% H 1 1.176 0.020 A 103 THR CA C 13 61.805 0.400 A 103 THR CB C 13 70.095 0.400 A 103 THR CG2 C 13 21.644 0.400 A 103 THR N N 15 113.757 0.400 A 104 ILE H H 1 8.226 0.020 A 104 ILE HA H 1 4.165 0.020 A 104 ILE HB H 1 1.853 0.020 A 104 ILE HD1% H 1 0.834 0.020 A 104 ILE HG1y H 1 1.464 0.020 A 104 ILE HG1x H 1 1.171 0.020 A 104 ILE HG2% H 1 0.888 0.020 A 104 ILE CA C 13 61.441 0.400 A 104 ILE CB C 13 38.724 0.400 A 104 ILE CD1 C 13 13.039 0.400 A 104 ILE CG1 C 13 27.418 0.400 A 104 ILE CG2 C 13 17.602 0.400 A 104 ILE N N 15 122.790 0.400 A 105 GLU H H 1 8.522 0.020 A 105 GLU HA H 1 4.266 0.020 A 105 GLU HBy H 1 2.039 0.020 A 105 GLU HBx H 1 1.966 0.020 A 105 GLU HGx H 1 2.271 0.020 A 105 GLU HGy H 1 2.271 0.020 A 105 GLU CA C 13 56.980 0.400 A 105 GLU CB C 13 30.206 0.400 A 105 GLU CG C 13 36.315 0.400 A 105 GLU N N 15 124.605 0.400 A 106 GLY H H 1 8.397 0.020 A 106 GLY HAx H 1 3.959 0.020 A 106 GLY HAy H 1 3.959 0.020 A 106 GLY CA C 13 45.508 0.400 A 106 GLY N N 15 110.009 0.400 A 107 ARG H H 1 8.170 0.020 A 107 ARG HA H 1 4.383 0.020 A 107 ARG HBy H 1 1.909 0.020 A 107 ARG HBx H 1 1.781 0.020 A 107 ARG HDx H 1 3.189 0.020 A 107 ARG HDy H 1 3.189 0.020 A 107 ARG HGx H 1 1.638 0.020 A 107 ARG HGy H 1 1.638 0.020 A 107 ARG CA C 13 56.171 0.400 A 107 ARG CB C 13 30.981 0.400 A 107 ARG CD C 13 43.431 0.400 A 107 ARG CG C 13 27.166 0.400 A 107 ARG N N 15 120.136 0.400 A 108 GLY H H 1 8.463 0.020 A 108 GLY HAx H 1 3.980 0.020 A 108 GLY HAy H 1 3.980 0.020 A 108 GLY CA C 13 45.474 0.400 A 108 GLY N N 15 109.759 0.400 A 109 ASP H H 1 8.258 0.020 A 109 ASP HA H 1 4.637 0.020 A 109 ASP HBy H 1 2.732 0.020 A 109 ASP HBx H 1 2.703 0.020 A 109 ASP CA C 13 54.178 0.400 A 109 ASP CB C 13 41.394 0.400 A 109 ASP N N 15 120.158 0.400 A 110 GLY H H 1 8.485 0.020 A 110 GLY HAx H 1 3.971 0.020 A 110 GLY HAy H 1 3.971 0.020 A 110 GLY CA C 13 45.748 0.400 A 110 GLY N N 15 109.348 0.400 A 111 GLY H H 1 8.380 0.020 A 111 GLY HAx H 1 4.003 0.020 A 111 GLY HAy H 1 4.003 0.020 A 111 GLY CA C 13 45.553 0.400 A 111 GLY N N 15 108.746 0.400 A 112 THR H H 1 8.082 0.020 A 112 THR HA H 1 4.379 0.020 A 112 THR HB H 1 4.210 0.020 A 112 THR HG2% H 1 1.146 0.020 A 112 THR CA C 13 62.172 0.400 A 112 THR CB C 13 69.811 0.400 A 112 THR CG2 C 13 21.661 0.400 A 112 THR N N 15 113.656 0.400 A 113 THR H H 1 8.147 0.020 A 113 THR HA H 1 4.277 0.020 A 113 THR HG2% H 1 1.147 0.020 A 113 THR CA C 13 62.412 0.400 A 113 THR CB C 13 69.806 0.400 A 113 THR CG2 C 13 21.761 0.400 A 113 THR N N 15 115.936 0.400 A 114 PHE H H 1 8.330 0.020 A 114 PHE HA H 1 4.389 0.020 A 114 PHE HBx H 1 3.003 0.020 A 114 PHE HBy H 1 3.003 0.020 A 114 PHE HD1 H 1 7.133 0.020 A 114 PHE HD2 H 1 7.133 0.020 A 114 PHE HE1 H 1 7.192 0.020 A 114 PHE HE2 H 1 7.192 0.020 A 114 PHE HZ H 1 7.079 0.020 A 114 PHE CA C 13 59.234 0.400 A 114 PHE CB C 13 39.097 0.400 A 114 PHE CDx C 13 131.854 0.400 A 114 PHE CDy C 13 131.854 0.400 A 114 PHE CEy C 13 131.214 0.400 A 114 PHE CEx C 13 131.186 0.400 A 114 PHE CZ C 13 129.563 0.400 A 114 PHE N N 15 120.906 0.400 A 115 GLU H H 1 8.313 0.020 A 115 GLU HA H 1 3.854 0.020 A 115 GLU HGx H 1 2.172 0.020 A 115 GLU HGy H 1 2.172 0.020 A 115 GLU CA C 13 58.478 0.400 A 115 GLU CB C 13 29.637 0.400 A 115 GLU CG C 13 36.363 0.400 A 115 GLU N N 15 119.813 0.400 A 116 HIS H H 1 8.105 0.020 A 116 HIS HA H 1 4.455 0.020 A 116 HIS HBx H 1 3.067 0.020 A 116 HIS HBy H 1 3.067 0.020 A 116 HIS HD2 H 1 7.027 0.020 A 116 HIS HE1 H 1 8.050 0.020 A 116 HIS CA C 13 57.029 0.400 A 116 HIS CB C 13 29.646 0.400 A 116 HIS CD2 C 13 119.638 0.400 A 116 HIS CE1 C 13 137.991 0.400 A 116 HIS N N 15 117.783 0.400 A 116 HIS ND1 N 15 176.543 0.400 A 116 HIS NE2 N 15 209.292 0.400 A 117 LEU H H 1 7.850 0.020 A 117 LEU HA H 1 4.080 0.020 A 117 LEU HBy H 1 1.522 0.020 A 117 LEU HBx H 1 1.358 0.020 A 117 LEU HDx% H 1 0.757 0.020 A 117 LEU HDy% H 1 0.718 0.020 A 117 LEU HG H 1 1.358 0.020 A 117 LEU CA C 13 56.686 0.400 A 117 LEU CB C 13 42.088 0.400 A 117 LEU CDy C 13 25.074 0.400 A 117 LEU CDx C 13 23.987 0.400 A 117 LEU CG C 13 26.801 0.400 A 117 LEU N N 15 121.366 0.400 A 118 TRP H H 1 7.944 0.020 A 118 TRP HA H 1 4.512 0.020 A 118 TRP HBy H 1 3.210 0.020 A 118 TRP HBx H 1 3.117 0.020 A 118 TRP HD1 H 1 7.099 0.020 A 118 TRP HE1 H 1 10.038 0.020 A 118 TRP HE3 H 1 7.429 0.020 A 118 TRP HH2 H 1 7.047 0.020 A 118 TRP HZ2 H 1 7.330 0.020 A 118 TRP HZ3 H 1 6.984 0.020 A 118 TRP CA C 13 58.094 0.400 A 118 TRP CB C 13 29.241 0.400 A 118 TRP CD1 C 13 127.164 0.400 A 118 TRP CE3 C 13 120.743 0.400 A 118 TRP CH2 C 13 124.291 0.400 A 118 TRP CZ2 C 13 114.446 0.400 A 118 TRP CZ3 C 13 121.777 0.400 A 118 TRP N N 15 118.267 0.400 A 118 TRP NE1 N 15 129.004 0.400 A 119 SER H H 1 7.874 0.020 A 119 SER HA H 1 4.300 0.020 A 119 SER HBy H 1 3.895 0.020 A 119 SER HBx H 1 3.777 0.020 A 119 SER CA C 13 59.694 0.400 A 119 SER CB C 13 63.539 0.400 A 119 SER N N 15 114.542 0.400 A 120 SER H H 1 7.909 0.020 A 120 SER HA H 1 4.425 0.020 A 120 SER HBy H 1 3.886 0.020 A 120 SER HBx H 1 3.849 0.020 A 120 SER CA C 13 58.959 0.400 A 120 SER CB C 13 63.773 0.400 A 120 SER N N 15 116.196 0.400 A 121 LEU H H 1 7.686 0.020 A 121 LEU HA H 1 4.304 0.020 A 121 LEU HBx H 1 1.608 0.020 A 121 LEU HBy H 1 1.608 0.020 A 121 LEU HDx% H 1 0.775 0.020 A 121 LEU HDy% H 1 0.775 0.020 A 121 LEU HG H 1 1.521 0.020 A 121 LEU CA C 13 55.085 0.400 A 121 LEU CB C 13 42.557 0.400 A 121 LEU CDy C 13 25.325 0.400 A 121 LEU CDx C 13 23.782 0.400 A 121 LEU CG C 13 26.724 0.400 A 121 LEU N N 15 122.446 0.400 A 122 GLU H H 1 8.198 0.020 A 122 GLU CA C 13 54.401 0.400 A 122 GLU CB C 13 29.764 0.400 A 122 GLU N N 15 122.105 0.400 A 123 PRO HA H 1 4.285 0.020 A 123 PRO HBx H 1 2.128 0.020 A 123 PRO HBy H 1 2.128 0.020 A 123 PRO HDx H 1 3.694 0.020 A 123 PRO HDy H 1 3.694 0.020 A 123 PRO HGy H 1 1.944 0.020 A 123 PRO HGx H 1 1.874 0.020 A 123 PRO CA C 13 63.802 0.400 A 123 PRO CB C 13 32.000 0.400 A 123 PRO CD C 13 50.534 0.400 A 123 PRO CG C 13 27.451 0.400 A 124 ASP H H 1 8.342 0.020 A 124 ASP HA H 1 4.636 0.020 A 124 ASP HBx H 1 2.716 0.020 A 124 ASP HBy H 1 2.716 0.020 A 124 ASP CA C 13 54.131 0.400 A 124 ASP CB C 13 41.096 0.400 A 124 ASP N N 15 118.817 0.400 A 125 SER H H 1 8.102 0.020 A 125 SER HA H 1 4.348 0.020 A 125 SER HBy H 1 3.947 0.020 A 125 SER HBx H 1 3.780 0.020 A 125 SER CA C 13 59.145 0.400 A 125 SER CB C 13 63.793 0.400 A 125 SER N N 15 115.875 0.400 A 126 THR H H 1 8.199 0.020 A 126 THR HA H 1 4.202 0.020 A 126 THR HB H 1 4.082 0.020 A 126 THR HG2% H 1 1.044 0.020 A 126 THR CA C 13 62.974 0.400 A 126 THR CB C 13 69.380 0.400 A 126 THR CG2 C 13 21.594 0.400 A 126 THR N N 15 115.679 0.400 A 127 TYR H H 1 7.891 0.020 A 127 TYR HA H 1 4.310 0.020 A 127 TYR HBy H 1 2.740 0.020 A 127 TYR HBx H 1 2.693 0.020 A 127 TYR HD1 H 1 6.829 0.020 A 127 TYR HD2 H 1 6.829 0.020 A 127 TYR HE1 H 1 6.694 0.020 A 127 TYR HE2 H 1 6.694 0.020 A 127 TYR CA C 13 58.900 0.400 A 127 TYR CB C 13 38.821 0.400 A 127 TYR CDy C 13 132.975 0.400 A 127 TYR CDx C 13 132.895 0.400 A 127 TYR CEx C 13 118.218 0.400 A 127 TYR CEy C 13 118.256 0.400 A 127 TYR N N 15 120.976 0.400 A 128 PHE H H 1 7.838 0.020 A 128 PHE HA H 1 4.556 0.020 A 128 PHE HBy H 1 3.175 0.020 A 128 PHE HBx H 1 2.912 0.020 A 128 PHE HD1 H 1 7.227 0.020 A 128 PHE HD2 H 1 7.227 0.020 A 128 PHE HE1 H 1 7.282 0.020 A 128 PHE HE2 H 1 7.282 0.020 A 128 PHE HZ H 1 7.140 0.020 A 128 PHE CA C 13 57.242 0.400 A 128 PHE CB C 13 39.643 0.400 A 128 PHE CDy C 13 131.980 0.400 A 128 PHE CDx C 13 131.977 0.400 A 128 PHE CEx C 13 131.192 0.400 A 128 PHE CEy C 13 131.206 0.400 A 128 PHE CZ C 13 129.256 0.400 A 128 PHE N N 15 117.628 0.400 A 129 ASP H H 1 8.128 0.020 A 129 ASP HA H 1 4.656 0.020 A 129 ASP HBy H 1 2.744 0.020 A 129 ASP HBx H 1 2.561 0.020 A 129 ASP CA C 13 54.260 0.400 A 129 ASP CB C 13 40.891 0.400 A 129 ASP N N 15 121.406 0.400 A 130 LEU H H 1 7.575 0.020 A 130 LEU CA C 13 56.651 0.400 A 130 LEU CB C 13 43.776 0.400 A 130 LEU N N 15 127.202 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 65 ALA HB% A 62 GLN HGx 1.0 . 5.30 2 1 A 62 GLN HGy A 65 ALA HB% 1.0 . 5.30 3 2 A 121 LEU HG A 62 GLN HGx 1.0 . 5.50 4 2 A 62 GLN HGy A 121 LEU HG 1.0 . 5.50 5 3 A 45 HIS HD2 A 46 THR HB 1.0 . 5.50 6 4 A 46 THR HB A 49 CYS H 1.0 . 5.50 7 5 A 112 THR HB A 114 PHE HD% 1.0 . 5.29 8 6 A 112 THR HB A 115 GLU HGx 1.0 . 4.88 9 6 A 112 THR HB A 115 GLU HGy 1.0 . 4.88 10 7 A 43 VAL HA A 44 GLN HA 1.0 . 5.02 11 8 A 46 THR HB A 43 VAL HA 1.0 . 4.98 12 9 A 43 VAL HA A 43 VAL HGx% 1.0 . 2.87 13 9 A 43 VAL HA A 43 VAL HGy% 1.0 . 2.87 14 10 A 43 VAL HA A 45 HIS H 1.0 . 5.34 15 11 A 20 LEU HA A 21 VAL HA 1.0 . 4.80 16 12 A 21 VAL HA A 20 LEU HBx 1.0 . 4.83 17 13 A 21 VAL HA A 17 ILE HG2% 1.0 . 5.50 18 14 A 21 VAL HA A 63 LEU HDx% 1.0 . 5.50 19 14 A 21 VAL HA A 63 LEU HDy% 1.0 . 5.50 20 15 A 21 VAL HA A 21 VAL HGx% 1.0 . 2.87 21 15 A 21 VAL HA A 21 VAL HGy% 1.0 . 2.87 22 16 A 21 VAL HA A 81 VAL HGx% 1.0 . 4.73 23 17 A 46 THR HA A 46 THR HG2% 1.0 . 3.45 24 18 A 46 THR HA A 59 ILE HG2% 1.0 . 5.14 25 19 A 46 THR HA A 52 LYS HEx 1.0 . 5.50 26 19 A 46 THR HA A 52 LYS HEy 1.0 . 5.50 27 20 A 64 ILE HA A 65 ALA HA 1.0 . 5.15 28 21 A 64 ILE HA A 63 LEU H 1.0 . 5.50 29 22 A 64 ILE HA A 66 LEU H 1.0 . 5.30 30 23 A 64 ILE HA A 63 LEU HG 1.0 . 5.19 31 24 A 64 ILE HA A 64 ILE HG1x 1.0 . 3.72 32 24 A 64 ILE HA A 64 ILE HG1y 1.0 . 3.72 33 25 A 17 ILE HA A 20 LEU HBy 1.0 . 3.87 34 26 A 20 LEU HBx A 17 ILE HA 1.0 . 3.88 35 27 A 17 ILE HA A 16 ALA HB% 1.0 . 3.97 36 28 A 17 ILE HA A 17 ILE HG1x 1.0 . 3.61 37 28 A 17 ILE HA A 17 ILE HG1y 1.0 . 3.61 38 29 A 17 ILE HA A 21 VAL HGx% 1.0 . 4.61 39 29 A 21 VAL HGy% A 17 ILE HA 1.0 . 4.61 40 30 A 17 ILE HA A 66 LEU HDy% 1.0 . 4.07 41 31 A 58 PRO HA A 62 GLN H 1.0 . 5.08 42 32 A 58 PRO HA A 61 LYS HEx 1.0 . 4.94 43 32 A 58 PRO HA A 61 LYS HEy 1.0 . 4.94 44 33 A 81 VAL HB A 84 CYS HA 1.0 . 4.75 45 34 A 84 CYS HA A 67 ALA HB% 1.0 . 3.98 46 35 A 84 CYS HA A 71 ALA HB% 1.0 . 3.56 47 36 A 84 CYS HA A 71 ALA H 1.0 . 5.50 48 37 A 84 CYS HA A 88 LYS H 1.0 . 5.50 49 38 A 59 ILE HA A 62 GLN HBx 1.0 . 4.86 50 38 A 59 ILE HA A 62 GLN HBy 1.0 . 4.86 51 39 A 59 ILE HA A 59 ILE HG1x 1.0 . 3.64 52 39 A 59 ILE HA A 59 ILE HG1y 1.0 . 3.64 53 40 A 62 GLN H A 59 ILE HA 1.0 . 4.34 54 41 A 39 MET HGy A 35 SER HBy 1.0 . 4.83 55 42 A 38 LYS HDx A 35 SER HBy 1.0 . 4.82 56 43 A 126 THR HA A 127 TYR HD% 1.0 . 5.18 57 44 A 39 MET HGy A 35 SER HBx 1.0 . 4.83 58 45 A 38 LYS HDx A 35 SER HBx 1.0 . 4.82 59 46 A 112 THR HA A 115 GLU HGx 1.0 . 5.50 60 46 A 115 GLU HGy A 112 THR HA 1.0 . 5.50 61 47 A 114 PHE HA A 115 GLU HGx 1.0 . 5.50 62 47 A 115 GLU HGy A 114 PHE HA 1.0 . 5.50 63 48 A 13 ILE HD1% A 115 GLU HGx 1.0 . 5.09 64 48 A 115 GLU HGy A 13 ILE HD1% 1.0 . 5.09 65 49 A 112 THR HG2% A 115 GLU HGx 1.0 . 5.26 66 49 A 115 GLU HGy A 112 THR HG2% 1.0 . 5.26 67 50 A 2 THR HB A 3 GLN H 1.0 . 4.30 68 51 A 103 THR HB A 105 GLU H 1.0 . 5.50 69 52 A 41 ARG HA A 42 VAL HA 1.0 . 5.03 70 53 A 45 HIS HD2 A 42 VAL HA 1.0 . 5.50 71 54 A 42 VAL HA A 41 ARG HBy 1.0 . 4.97 72 55 A 42 VAL HA A 41 ARG HBx 1.0 . 5.18 73 56 A 46 THR HG2% A 42 VAL HA 1.0 . 5.00 74 57 A 42 VAL HA A 42 VAL HGx% 1.0 . 3.38 75 58 A 42 VAL HA A 42 VAL HGy% 1.0 . 3.38 76 59 A 59 ILE HG2% A 42 VAL HA 1.0 . 4.15 77 60 A 42 VAL HA A 45 HIS HBx 1.0 . 3.80 78 61 A 24 ALA HB% A 81 VAL HA 1.0 . 3.52 79 62 A 113 THR HA A 116 HIS HBx 1.0 . 4.67 80 62 A 113 THR HA A 116 HIS HBy 1.0 . 4.67 81 63 A 113 THR HA A 113 THR HG2% 1.0 . 3.24 82 64 A 114 PHE HD% A 113 THR HA 1.0 . 5.05 83 65 A 19 SER HA A 23 ALA H 1.0 . 4.69 84 66 A 19 SER HA A 22 HIS HBx 1.0 . 3.50 85 66 A 19 SER HA A 22 HIS HBy 1.0 . 3.50 86 67 A 19 SER HA A 18 GLN HBy 1.0 . 4.65 87 68 A 104 ILE HA A 105 GLU HGx 1.0 . 5.24 88 68 A 104 ILE HA A 105 GLU HGy 1.0 . 5.24 89 69 A 104 ILE HA A 104 ILE HG1y 1.0 . 3.85 90 70 A 104 ILE HA A 104 ILE HG1x 1.0 . 3.85 91 71 A 83 PHE HA A 86 ASN HBx 1.0 . 4.04 92 71 A 83 PHE HA A 86 ASN HBy 1.0 . 4.04 93 72 A 83 PHE HA A 82 PRO HA 1.0 . 5.12 94 73 A 84 CYS HA A 83 PHE HA 1.0 . 5.50 95 74 A 83 PHE HA A 83 PHE HE% 1.0 . 5.00 96 75 A 83 PHE HA A 87 ILE HD1% 1.0 . 4.83 97 76 A 8 SER HA A 8 SER HBx 1.0 . 2.91 98 76 A 8 SER HA A 8 SER HBy 1.0 . 2.91 99 77 A 8 SER HA A 11 LEU HBx 1.0 . 3.65 100 77 A 8 SER HA A 11 LEU HBy 1.0 . 3.65 101 78 A 38 LYS HDx A 35 SER HA 1.0 . 3.84 102 79 A 35 SER HA A 38 LYS HGx 1.0 . 4.88 103 79 A 35 SER HA A 38 LYS HGy 1.0 . 4.88 104 80 A 8 SER HA A 11 LEU HDx% 1.0 . 3.87 105 80 A 8 SER HA A 11 LEU HDy% 1.0 . 3.87 106 81 A 8 SER HA A 7 ASP HA 1.0 . 5.00 107 82 A 35 SER HA A 39 MET H 1.0 . 4.91 108 83 A 8 SER HA A 11 LEU H 1.0 . 4.08 109 84 A 63 LEU H A 61 LYS HA 1.0 . 5.08 110 85 A 61 LYS HA A 61 LYS HGx 1.0 . 3.90 111 85 A 61 LYS HA A 61 LYS HGy 1.0 . 3.90 112 86 A 61 LYS HA A 64 ILE HB 1.0 . 3.85 113 87 A 61 LYS HA A 64 ILE HG2% 1.0 . 4.65 114 88 A 88 LYS HA A 88 LYS HDx 1.0 . 3.46 115 88 A 88 LYS HA A 88 LYS HDy 1.0 . 3.46 116 89 A 88 LYS HA A 88 LYS HGx 1.0 . 3.44 117 89 A 88 LYS HA A 88 LYS HGy 1.0 . 3.44 118 90 A 37 GLN HA A 40 LYS HDx 1.0 . 4.13 119 91 A 37 GLN HA A 41 ARG H 1.0 . 5.50 120 92 A 39 MET H A 37 GLN HA 1.0 . 4.78 121 93 A 41 ARG HA A 44 GLN HGx 1.0 . 4.64 122 93 A 41 ARG HA A 44 GLN HGy 1.0 . 4.64 123 94 A 41 ARG HA A 41 ARG HGx 1.0 . 3.48 124 94 A 41 ARG HA A 41 ARG HGy 1.0 . 3.48 125 95 A 41 ARG HA A 40 LYS H 1.0 . 5.50 126 96 A 114 PHE HD% A 114 PHE HA 1.0 . 3.91 127 97 A 15 ARG HA A 17 ILE H 1.0 . 4.84 128 98 A 15 ARG HA A 15 ARG HDx 1.0 . 4.20 129 98 A 15 ARG HA A 15 ARG HDy 1.0 . 4.20 130 99 A 15 ARG HA A 15 ARG HGx 1.0 . 3.50 131 99 A 15 ARG HA A 15 ARG HGy 1.0 . 3.50 132 100 A 15 ARG HA A 14 GLN HBx 1.0 . 3.89 133 100 A 15 ARG HA A 14 GLN HBy 1.0 . 3.89 134 101 A 18 GLN HA A 21 VAL HGx% 1.0 . 3.42 135 101 A 21 VAL HGy% A 18 GLN HA 1.0 . 3.42 136 102 A 18 GLN HA A 22 HIS HBx 1.0 . 4.43 137 102 A 22 HIS HBy A 18 GLN HA 1.0 . 4.43 138 103 A 44 GLN HA A 44 GLN HGx 1.0 . 3.44 139 103 A 44 GLN HA A 44 GLN HGy 1.0 . 3.44 140 104 A 44 GLN HA A 47 LYS HBx 1.0 . 3.66 141 104 A 44 GLN HA A 47 LYS HBy 1.0 . 3.66 142 105 A 10 ARG HA A 10 ARG HGy 1.0 . 3.40 143 106 A 44 GLN HA A 47 LYS HDx 1.0 . 3.65 144 106 A 44 GLN HA A 47 LYS HDy 1.0 . 3.65 145 107 A 44 GLN HA A 43 VAL HGx% 1.0 . 3.75 146 107 A 44 GLN HA A 43 VAL HGy% 1.0 . 3.75 147 108 A 127 TYR HD% A 127 TYR HA 1.0 . 3.92 148 109 A 120 SER HA A 121 LEU HBx 1.0 . 5.43 149 109 A 120 SER HA A 121 LEU HBy 1.0 . 5.43 150 110 A 62 GLN HA A 62 GLN HGx 1.0 . 3.35 151 110 A 62 GLN HGy A 62 GLN HA 1.0 . 3.35 152 111 A 62 GLN HA A 64 ILE H 1.0 . 5.25 153 112 A 10 ARG HA A 13 ILE H 1.0 . 4.34 154 113 A 9 ARG HA A 9 ARG HGy 1.0 . 4.11 155 114 A 115 GLU HA A 118 TRP HBy 1.0 . 4.63 156 115 A 115 GLU HA A 118 TRP HBx 1.0 . 5.50 157 116 A 115 GLU HA A 115 GLU HGx 1.0 . 3.59 158 116 A 115 GLU HGy A 115 GLU HA 1.0 . 3.59 159 117 A 72 LYS HA A 72 LYS HGy 1.0 . 3.88 160 118 A 72 LYS HA A 72 LYS HGx 1.0 . 3.78 161 119 A 118 TRP HA A 121 LEU HBx 1.0 . 3.82 162 119 A 121 LEU HBy A 118 TRP HA 1.0 . 3.82 163 120 A 118 TRP HA A 121 LEU HDx% 1.0 . 3.97 164 120 A 118 TRP HA A 121 LEU HDy% 1.0 . 3.97 165 121 A 52 LYS HA A 57 CYS H 1.0 . 4.67 166 122 A 118 TRP HA A 118 TRP HD1 1.0 . 4.92 167 123 A 52 LYS HA A 51 ARG HGx 1.0 . 4.65 168 123 A 52 LYS HA A 51 ARG HGy 1.0 . 4.65 169 124 A 52 LYS HA A 51 ARG HBx 1.0 . 4.92 170 124 A 52 LYS HA A 51 ARG HBy 1.0 . 4.92 171 125 A 51 ARG HA A 51 ARG HGx 1.0 . 3.55 172 125 A 51 ARG HGy A 51 ARG HA 1.0 . 3.55 173 126 A 89 GLN HA A 89 GLN HGy 1.0 . 3.82 174 127 A 89 GLN HA A 89 GLN HGx 1.0 . 3.82 175 128 A 89 GLN HA A 89 GLN HBx 1.0 . 2.90 176 128 A 89 GLN HA A 89 GLN HBy 1.0 . 2.90 177 129 A 11 LEU HA A 10 ARG HBx 1.0 . 4.25 178 129 A 10 ARG HBy A 11 LEU HA 1.0 . 4.25 179 130 A 11 LEU HA A 11 LEU HDx% 1.0 . 3.15 180 130 A 11 LEU HDy% A 11 LEU HA 1.0 . 3.15 181 131 A 116 HIS HA A 116 HIS HD2 1.0 . 4.87 182 132 A 50 LYS HA A 50 LYS HDx 1.0 . 3.67 183 132 A 50 LYS HA A 50 LYS HDy 1.0 . 3.67 184 133 A 50 LYS HA A 50 LYS HGy 1.0 . 3.86 185 134 A 50 LYS HA A 50 LYS HGx 1.0 . 3.86 186 135 A 117 LEU HA A 117 LEU HG 1.0 . 4.03 187 136 A 117 LEU HA A 117 LEU HDx% 1.0 . 3.64 188 137 A 39 MET HA A 42 VAL H 1.0 . 3.80 189 138 A 39 MET HGy A 39 MET HA 1.0 . 4.00 190 139 A 39 MET HA A 39 MET HGx 1.0 . 4.05 191 140 A 107 ARG HA A 107 ARG HDx 1.0 . 4.07 192 140 A 107 ARG HA A 107 ARG HDy 1.0 . 4.07 193 141 A 76 GLU HA A 76 GLU HGx 1.0 . 3.84 194 141 A 76 GLU HA A 76 GLU HGy 1.0 . 3.84 195 142 A 107 ARG HA A 107 ARG HGx 1.0 . 3.55 196 142 A 107 ARG HA A 107 ARG HGy 1.0 . 3.55 197 143 A 67 ALA HA A 70 HIS HBy 1.0 . 4.34 198 144 A 67 ALA HA A 70 HIS HBx 1.0 . 3.82 199 145 A 67 ALA HA A 66 LEU HA 1.0 . 5.22 200 146 A 67 ALA HA A 68 ALA HA 1.0 . 5.50 201 147 A 17 ILE HG2% A 67 ALA HA 1.0 . 4.82 202 148 A 71 ALA H A 67 ALA HA 1.0 . 4.51 203 149 A 3 GLN HA A 3 GLN HGx 1.0 . 3.89 204 149 A 3 GLN HA A 3 GLN HGy 1.0 . 3.89 205 150 A 65 ALA HA A 67 ALA H 1.0 . 5.11 206 151 A 71 ALA H A 68 ALA HA 1.0 . 4.21 207 152 A 23 ALA HA A 26 CYS H 1.0 . 3.30 208 153 A 23 ALA HA A 40 LYS HEy 1.0 . 4.56 209 154 A 23 ALA HA A 40 LYS HEx 1.0 . 4.56 210 155 A 23 ALA HA A 26 CYS HBx 1.0 . 3.66 211 156 A 23 ALA HA A 26 CYS HBy 1.0 . 3.74 212 157 A 71 ALA HA A 74 CYS HBy 1.0 . 3.49 213 158 A 71 ALA HA A 88 LYS HDx 1.0 . 4.75 214 158 A 88 LYS HDy A 71 ALA HA 1.0 . 4.75 215 159 A 71 ALA HA A 74 CYS HBx 1.0 . 3.97 216 160 A 71 ALA HA A 74 CYS H 1.0 . 4.19 217 161 A 73 HIS HA A 73 HIS HD2 1.0 . 4.00 218 162 A 129 ASP HA A 130 LEU H 1.0 . 3.23 219 163 A 24 ALA HA A 43 VAL HGx% 1.0 . 3.26 220 163 A 43 VAL HGy% A 24 ALA HA 1.0 . 3.26 221 164 A 24 ALA HA A 81 VAL HGy% 1.0 . 4.96 222 165 A 24 ALA HA A 23 ALA HB% 1.0 . 4.31 223 166 A 24 ALA HA A 43 VAL HB 1.0 . 5.09 224 167 A 59 ILE HB A 58 PRO HDx 1.0 . 4.97 225 167 A 58 PRO HDy A 59 ILE HB 1.0 . 4.97 226 168 A 81 VAL HA A 82 PRO HDy 1.0 . 3.32 227 169 A 81 VAL HA A 82 PRO HDx 1.0 . 3.32 228 170 A 24 ALA HB% A 82 PRO HDy 1.0 . 4.31 229 171 A 81 VAL HGy% A 82 PRO HDy 1.0 . 4.36 230 172 A 47 LYS HBy A 48 GLY HAy 1.0 . 4.93 231 172 A 47 LYS HBx A 48 GLY HAy 1.0 . 4.93 232 173 A 48 GLY HAx A 47 LYS HBx 1.0 . 4.93 233 173 A 47 LYS HBy A 48 GLY HAx 1.0 . 4.93 234 174 A 41 ARG HBy A 41 ARG HDx 1.0 . 3.54 235 174 A 41 ARG HBy A 41 ARG HDy 1.0 . 3.54 236 175 A 15 ARG HBy A 15 ARG HDx 1.0 . 3.34 237 175 A 15 ARG HDy A 15 ARG HBy 1.0 . 3.34 238 176 A 41 ARG HBx A 41 ARG HDx 1.0 . 3.56 239 176 A 41 ARG HBx A 41 ARG HDy 1.0 . 3.56 240 177 A 41 ARG HDx A 41 ARG HGx 1.0 . 2.92 241 177 A 41 ARG HDy A 41 ARG HGx 1.0 . 2.92 242 177 A 41 ARG HGy A 41 ARG HDx 1.0 . 2.92 243 177 A 41 ARG HGy A 41 ARG HDy 1.0 . 2.92 244 178 A 10 ARG HDy A 11 LEU HDx% 1.0 . 5.48 245 178 A 10 ARG HDx A 11 LEU HDx% 1.0 . 5.48 246 178 A 11 LEU HDy% A 10 ARG HDx 1.0 . 5.48 247 178 A 11 LEU HDy% A 10 ARG HDy 1.0 . 5.48 248 179 A 51 ARG HA A 51 ARG HDx 1.0 . 4.67 249 179 A 51 ARG HA A 51 ARG HDy 1.0 . 4.67 250 180 A 27 ARG HBx A 27 ARG HDx 1.0 . 3.46 251 180 A 27 ARG HBy A 27 ARG HDx 1.0 . 3.46 252 180 A 27 ARG HDy A 27 ARG HBx 1.0 . 3.46 253 180 A 27 ARG HBy A 27 ARG HDy 1.0 . 3.46 254 181 A 10 ARG HBx A 10 ARG HDx 1.0 . 3.13 255 181 A 10 ARG HBy A 10 ARG HDx 1.0 . 3.13 256 181 A 10 ARG HDy A 10 ARG HBx 1.0 . 3.13 257 181 A 10 ARG HBy A 10 ARG HDy 1.0 . 3.13 258 182 A 10 ARG HGy A 10 ARG HDx 1.0 . 2.96 259 182 A 10 ARG HGy A 10 ARG HDy 1.0 . 2.96 260 183 A 10 ARG HA A 10 ARG HDx 1.0 . 3.97 261 183 A 10 ARG HA A 10 ARG HDy 1.0 . 3.97 262 184 A 26 CYS HBx A 40 LYS HEy 1.0 . 3.87 263 185 A 40 LYS HGy A 40 LYS HEy 1.0 . 3.91 264 185 A 40 LYS HEy A 40 LYS HGx 1.0 . 3.91 265 186 A 26 CYS HBx A 40 LYS HEx 1.0 . 3.87 266 187 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.97 267 187 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.97 268 187 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.97 269 187 A 9 ARG HBy A 9 ARG HDy 1.0 . 3.97 270 188 A 40 LYS HGy A 40 LYS HEx 1.0 . 3.91 271 188 A 40 LYS HEx A 40 LYS HGx 1.0 . 3.91 272 189 A 20 LEU HBx A 20 LEU HDy% 1.0 . 3.23 273 190 A 20 LEU HBy A 21 VAL HGx% 1.0 . 4.87 274 190 A 21 VAL HGy% A 20 LEU HBy 1.0 . 4.87 275 191 A 20 LEU HBy A 21 VAL H 1.0 . 4.07 276 192 A 78 LYS HBy A 78 LYS HEx 1.0 . 4.04 277 192 A 78 LYS HBx A 78 LYS HEx 1.0 . 4.04 278 192 A 78 LYS HEy A 78 LYS HBx 1.0 . 4.04 279 192 A 78 LYS HBy A 78 LYS HEy 1.0 . 4.04 280 193 A 47 LYS HBy A 47 LYS HEx 1.0 . 3.70 281 193 A 47 LYS HBx A 47 LYS HEx 1.0 . 3.70 282 193 A 47 LYS HEy A 47 LYS HBx 1.0 . 3.70 283 193 A 47 LYS HBy A 47 LYS HEy 1.0 . 3.70 284 194 A 78 LYS HDy A 78 LYS HEx 1.0 . 2.97 285 194 A 78 LYS HDx A 78 LYS HEx 1.0 . 2.97 286 194 A 78 LYS HEy A 78 LYS HDx 1.0 . 2.97 287 194 A 78 LYS HEy A 78 LYS HDy 1.0 . 2.97 288 195 A 47 LYS HDx A 47 LYS HEx 1.0 . 2.72 289 195 A 47 LYS HDy A 47 LYS HEx 1.0 . 2.72 290 195 A 47 LYS HEy A 47 LYS HDx 1.0 . 2.72 291 195 A 47 LYS HDy A 47 LYS HEy 1.0 . 2.72 292 196 A 50 LYS HEx A 50 LYS HGy 1.0 . 3.87 293 196 A 50 LYS HEy A 50 LYS HGy 1.0 . 3.87 294 197 A 72 LYS HDx A 72 LYS HEx 1.0 . 2.88 295 197 A 72 LYS HDy A 72 LYS HEx 1.0 . 2.88 296 197 A 72 LYS HEy A 72 LYS HDx 1.0 . 2.88 297 197 A 72 LYS HDy A 72 LYS HEy 1.0 . 2.88 298 198 A 50 LYS HGx A 50 LYS HEx 1.0 . 3.87 299 198 A 50 LYS HEy A 50 LYS HGx 1.0 . 3.87 300 199 A 90 LYS HEx A 90 LYS HGx 1.0 . 3.53 301 199 A 90 LYS HEy A 90 LYS HGx 1.0 . 3.53 302 199 A 90 LYS HGy A 90 LYS HEx 1.0 . 3.53 303 199 A 90 LYS HGy A 90 LYS HEy 1.0 . 3.53 304 200 A 47 LYS HEx A 47 LYS HGx 1.0 . 3.32 305 200 A 47 LYS HGy A 47 LYS HEx 1.0 . 3.32 306 200 A 47 LYS HEy A 47 LYS HGy 1.0 . 3.32 307 200 A 47 LYS HEy A 47 LYS HGx 1.0 . 3.32 308 201 A 38 LYS HEx A 38 LYS HGx 1.0 . 3.54 309 201 A 38 LYS HEy A 38 LYS HGx 1.0 . 3.54 310 201 A 38 LYS HGy A 38 LYS HEx 1.0 . 3.54 311 201 A 38 LYS HGy A 38 LYS HEy 1.0 . 3.54 312 202 A 78 LYS HEx A 78 LYS HGx 1.0 . 3.49 313 202 A 78 LYS HEy A 78 LYS HGx 1.0 . 3.49 314 202 A 78 LYS HGy A 78 LYS HEx 1.0 . 3.49 315 202 A 78 LYS HEy A 78 LYS HGy 1.0 . 3.49 316 203 A 61 LYS HEy A 61 LYS HGx 1.0 . 3.44 317 203 A 61 LYS HEx A 61 LYS HGx 1.0 . 3.44 318 203 A 61 LYS HGy A 61 LYS HEx 1.0 . 3.44 319 203 A 61 LYS HEy A 61 LYS HGy 1.0 . 3.44 320 204 A 43 VAL HGx% A 47 LYS HEx 1.0 . 3.59 321 204 A 43 VAL HGy% A 47 LYS HEx 1.0 . 3.59 322 204 A 47 LYS HEy A 43 VAL HGx% 1.0 . 3.59 323 204 A 43 VAL HGy% A 47 LYS HEy 1.0 . 3.59 324 205 A 72 LYS HGx A 72 LYS HEx 1.0 . 3.64 325 205 A 72 LYS HGx A 72 LYS HEy 1.0 . 3.64 326 206 A 78 LYS HA A 78 LYS HEx 1.0 . 4.51 327 206 A 78 LYS HEy A 78 LYS HA 1.0 . 4.51 328 207 A 44 GLN HA A 47 LYS HEx 1.0 . 4.06 329 207 A 44 GLN HA A 47 LYS HEy 1.0 . 4.06 330 208 A 117 LEU HBy A 117 LEU HDx% 1.0 . 3.25 331 209 A 7 ASP HBy A 10 ARG HBx 1.0 . 4.07 332 209 A 7 ASP HBx A 10 ARG HBx 1.0 . 4.07 333 209 A 10 ARG HBy A 7 ASP HBx 1.0 . 4.07 334 209 A 10 ARG HBy A 7 ASP HBy 1.0 . 4.07 335 210 A 10 ARG HGy A 7 ASP HBx 1.0 . 4.36 336 210 A 10 ARG HGy A 7 ASP HBy 1.0 . 4.36 337 211 A 10 ARG HGx A 7 ASP HBx 1.0 . 4.85 338 211 A 7 ASP HBy A 10 ARG HGx 1.0 . 4.85 339 212 A 7 ASP HBy A 10 ARG HDx 1.0 . 4.50 340 212 A 10 ARG HDy A 7 ASP HBx 1.0 . 4.50 341 212 A 10 ARG HDy A 7 ASP HBy 1.0 . 4.50 342 212 A 7 ASP HBx A 10 ARG HDx 1.0 . 4.50 343 213 A 6 GLY HAy A 7 ASP HBx 1.0 . 4.46 344 213 A 6 GLY HAx A 7 ASP HBx 1.0 . 4.46 345 213 A 7 ASP HBy A 6 GLY HAx 1.0 . 4.46 346 213 A 7 ASP HBy A 6 GLY HAy 1.0 . 4.46 347 214 A 8 SER HA A 7 ASP HBx 1.0 . 5.00 348 214 A 8 SER HA A 7 ASP HBy 1.0 . 5.00 349 215 A 130 LEU H A 129 ASP HBy 1.0 . 4.57 350 216 A 63 LEU HG A 63 LEU HBx 1.0 . 2.97 351 216 A 63 LEU HG A 63 LEU HBy 1.0 . 2.97 352 217 A 46 THR HB A 63 LEU HBx 1.0 . 4.81 353 217 A 46 THR HB A 63 LEU HBy 1.0 . 4.81 354 218 A 64 ILE H A 63 LEU HBx 1.0 . 4.40 355 218 A 64 ILE H A 63 LEU HBy 1.0 . 4.40 356 219 A 85 LEU HG A 85 LEU HBx 1.0 . 2.63 357 219 A 85 LEU HBy A 85 LEU HG 1.0 . 2.63 358 220 A 65 ALA HB% A 114 PHE HBx 1.0 . 4.98 359 220 A 65 ALA HB% A 114 PHE HBy 1.0 . 4.98 360 221 A 117 LEU HBy A 114 PHE HBx 1.0 . 5.19 361 221 A 117 LEU HBy A 114 PHE HBy 1.0 . 5.19 362 222 A 117 LEU HDx% A 114 PHE HBx 1.0 . 4.45 363 222 A 114 PHE HBy A 117 LEU HDx% 1.0 . 4.45 364 223 A 31 CYS H A 30 ASN HBy 1.0 . 4.07 365 224 A 29 ALA HB% A 30 ASN HBy 1.0 . 5.46 366 225 A 29 ALA HB% A 30 ASN HBx 1.0 . 5.46 367 226 A 10 ARG HA A 13 ILE HB 1.0 . 4.11 368 227 A 16 ALA HB% A 17 ILE HB 1.0 . 4.87 369 228 A 17 ILE HB A 14 GLN HA 1.0 . 3.83 370 229 A 84 CYS HA A 83 PHE HBy 1.0 . 4.95 371 230 A 84 CYS HA A 83 PHE HBx 1.0 . 5.05 372 231 A 67 ALA HB% A 83 PHE HBy 1.0 . 3.80 373 232 A 83 PHE HBy A 64 ILE HG1x 1.0 . 4.90 374 232 A 64 ILE HG1y A 83 PHE HBy 1.0 . 4.90 375 233 A 83 PHE HBx A 64 ILE HG1x 1.0 . 4.59 376 233 A 64 ILE HG1y A 83 PHE HBx 1.0 . 4.59 377 234 A 87 ILE HD1% A 83 PHE HBy 1.0 . 4.64 378 235 A 83 PHE HBx A 64 ILE HD1% 1.0 . 4.66 379 236 A 83 PHE HBx A 87 ILE H 1.0 . 5.37 380 237 A 83 PHE HBx A 86 ASN HBx 1.0 . 4.55 381 237 A 86 ASN HBy A 83 PHE HBx 1.0 . 4.55 382 238 A 83 PHE HBy A 86 ASN HBx 1.0 . 5.22 383 238 A 86 ASN HBy A 83 PHE HBy 1.0 . 5.22 384 239 A 105 GLU HA A 105 GLU HGx 1.0 . 3.63 385 239 A 105 GLU HGy A 105 GLU HA 1.0 . 3.63 386 240 A 86 ASN HA A 89 GLN HGy 1.0 . 4.76 387 241 A 86 ASN HA A 89 GLN HGx 1.0 . 4.76 388 242 A 14 GLN HA A 14 GLN HGy 1.0 . 3.41 389 243 A 18 GLN HA A 18 GLN HGx 1.0 . 3.54 390 244 A 18 GLN HA A 18 GLN HGy 1.0 . 3.54 391 245 A 18 GLN H A 18 GLN HGx 1.0 . 3.69 392 246 A 14 GLN H A 14 GLN HGx 1.0 . 3.59 393 247 A 89 GLN H A 89 GLN HGy 1.0 . 4.01 394 248 A 38 LYS H A 37 GLN HGy 1.0 . 4.75 395 249 A 90 LYS H A 89 GLN HGy 1.0 . 5.38 396 250 A 90 LYS H A 89 GLN HGx 1.0 . 5.38 397 251 A 17 ILE HG2% A 14 GLN HGy 1.0 . 5.41 398 252 A 17 ILE HG2% A 18 GLN HGx 1.0 . 4.69 399 253 A 14 GLN HGy A 17 ILE HD1% 1.0 . 4.49 400 254 A 14 GLN HGx A 13 ILE HG2% 1.0 . 4.41 401 255 A 39 MET HGy A 38 LYS HDx 1.0 . 4.79 402 256 A 39 MET HGy A 23 ALA HB% 1.0 . 4.15 403 257 A 39 MET HGx A 23 ALA HB% 1.0 . 3.84 404 258 A 20 LEU HA A 39 MET HGy 1.0 . 4.46 405 259 A 20 LEU HA A 39 MET HGx 1.0 . 3.87 406 260 A 40 LYS H A 39 MET HGx 1.0 . 5.50 407 261 A 24 ALA H A 25 GLN HGx 1.0 . 5.11 408 262 A 25 GLN HGx A 25 GLN HA 1.0 . 3.70 409 263 A 25 GLN HA A 25 GLN HGy 1.0 . 4.18 410 264 A 25 GLN HGx A 22 HIS HA 1.0 . 4.35 411 265 A 25 GLN HGx A 22 HIS HBx 1.0 . 5.05 412 265 A 22 HIS HBy A 25 GLN HGx 1.0 . 5.05 413 266 A 21 VAL HA A 25 GLN HGy 1.0 . 5.18 414 267 A 25 GLN HGy A 22 HIS HBx 1.0 . 5.50 415 267 A 22 HIS HBy A 25 GLN HGy 1.0 . 5.50 416 268 A 24 ALA HB% A 25 GLN HGx 1.0 . 4.90 417 269 A 25 GLN HGx A 21 VAL HGx% 1.0 . 5.35 418 269 A 21 VAL HGy% A 25 GLN HGx 1.0 . 5.35 419 270 A 72 LYS HBx A 72 LYS HEx 1.0 . 4.91 420 270 A 72 LYS HEy A 72 LYS HBx 1.0 . 4.91 421 271 A 72 LYS HBy A 72 LYS HEx 1.0 . 4.70 422 271 A 72 LYS HEy A 72 LYS HBy 1.0 . 4.70 423 272 A 72 LYS HBx A 73 HIS H 1.0 . 4.67 424 273 A 21 VAL HB A 22 HIS H 1.0 . 4.05 425 274 A 59 ILE HG2% A 42 VAL HB 1.0 . 4.57 426 275 A 20 LEU HA A 39 MET HBy 1.0 . 4.51 427 276 A 42 VAL HB A 43 VAL H 1.0 . 4.04 428 277 A 43 VAL HB A 40 LYS HA 1.0 . 4.63 429 278 A 24 ALA HB% A 43 VAL HB 1.0 . 4.78 430 279 A 81 VAL HGx% A 82 PRO HBx 1.0 . 4.92 431 279 A 81 VAL HGx% A 82 PRO HBy 1.0 . 4.92 432 280 A 81 VAL HA A 82 PRO HBx 1.0 . 5.22 433 280 A 81 VAL HA A 82 PRO HBy 1.0 . 5.22 434 281 A 83 PHE HBy A 82 PRO HBx 1.0 . 5.50 435 281 A 83 PHE HBy A 82 PRO HBy 1.0 . 5.50 436 282 A 83 PHE HA A 82 PRO HBx 1.0 . 5.06 437 282 A 83 PHE HA A 82 PRO HBy 1.0 . 5.06 438 283 A 83 PHE HE% A 82 PRO HBx 1.0 . 4.88 439 283 A 83 PHE HE% A 82 PRO HBy 1.0 . 4.88 440 284 A 40 LYS H A 39 MET HBx 1.0 . 4.49 441 285 A 21 VAL H A 21 VAL HB 1.0 . 3.81 442 286 A 107 ARG HGy A 107 ARG HBx 1.0 . 2.73 443 286 A 107 ARG HBx A 107 ARG HGx 1.0 . 2.73 444 287 A 107 ARG HGy A 107 ARG HBy 1.0 . 2.73 445 287 A 107 ARG HBy A 107 ARG HGx 1.0 . 2.73 446 288 A 107 ARG HDy A 107 ARG HBy 1.0 . 4.16 447 288 A 107 ARG HBy A 107 ARG HDx 1.0 . 4.16 448 289 A 107 ARG HDy A 107 ARG HBx 1.0 . 4.16 449 289 A 107 ARG HBx A 107 ARG HDx 1.0 . 4.16 450 290 A 78 LYS HBx A 85 LEU HDx% 1.0 . 4.81 451 290 A 78 LYS HBy A 85 LEU HDx% 1.0 . 4.81 452 290 A 85 LEU HDy% A 78 LYS HBx 1.0 . 4.81 453 290 A 78 LYS HBy A 85 LEU HDy% 1.0 . 4.81 454 291 A 27 ARG HBy A 27 ARG HGx 1.0 . 2.68 455 291 A 27 ARG HBx A 27 ARG HGx 1.0 . 2.68 456 291 A 27 ARG HGy A 27 ARG HBx 1.0 . 2.68 457 291 A 27 ARG HBy A 27 ARG HGy 1.0 . 2.68 458 292 A 71 ALA HB% A 74 CYS HBy 1.0 . 4.94 459 293 A 41 ARG HBy A 38 LYS HA 1.0 . 4.41 460 294 A 41 ARG HBy A 40 LYS H 1.0 . 5.50 461 295 A 41 ARG HBx A 41 ARG H 1.0 . 3.67 462 296 A 67 ALA HB% A 64 ILE HG1x 1.0 . 4.56 463 296 A 64 ILE HG1y A 67 ALA HB% 1.0 . 4.56 464 297 A 74 CYS HBx A 70 HIS HE1 1.0 . 4.95 465 298 A 81 VAL HB A 84 CYS HBy 1.0 . 3.77 466 299 A 81 VAL HGy% A 84 CYS HBx 1.0 . 5.02 467 300 A 84 CYS HBx A 21 VAL HGx% 1.0 . 5.50 468 300 A 21 VAL HGy% A 84 CYS HBx 1.0 . 5.50 469 301 A 84 CYS HBy A 21 VAL HGx% 1.0 . 5.29 470 301 A 21 VAL HGy% A 84 CYS HBy 1.0 . 5.29 471 302 A 84 CYS HBx A 85 LEU HBx 1.0 . 4.63 472 302 A 85 LEU HBy A 84 CYS HBx 1.0 . 4.63 473 303 A 81 VAL HB A 84 CYS HBx 1.0 . 3.91 474 304 A 84 CYS HBx A 83 PHE H 1.0 . 5.20 475 305 A 17 ILE HG1y A 66 LEU HDx% 1.0 . 4.27 476 305 A 66 LEU HDx% A 17 ILE HG1x 1.0 . 4.27 477 306 A 17 ILE HG1y A 66 LEU HDy% 1.0 . 4.27 478 306 A 17 ILE HG1x A 66 LEU HDy% 1.0 . 4.27 479 307 A 70 HIS HBx A 17 ILE HG1x 1.0 . 5.28 480 307 A 17 ILE HG1y A 70 HIS HBx 1.0 . 5.28 481 308 A 14 GLN HA A 17 ILE HG1x 1.0 . 4.64 482 308 A 17 ILE HG1y A 14 GLN HA 1.0 . 4.64 483 309 A 66 LEU HA A 17 ILE HG1x 1.0 . 4.96 484 309 A 17 ILE HG1y A 66 LEU HA 1.0 . 4.96 485 310 A 16 ALA H A 17 ILE HG1x 1.0 . 5.50 486 310 A 17 ILE HG1y A 16 ALA H 1.0 . 5.50 487 311 A 16 ALA HB% A 17 ILE HG1x 1.0 . 4.64 488 311 A 16 ALA HB% A 17 ILE HG1y 1.0 . 4.64 489 312 A 18 GLN HBx A 21 VAL HGx% 1.0 . 4.25 490 312 A 21 VAL HGy% A 18 GLN HBx 1.0 . 4.25 491 313 A 41 ARG HA A 44 GLN HBy 1.0 . 4.16 492 314 A 41 ARG HA A 44 GLN HBx 1.0 . 4.16 493 315 A 44 GLN H A 44 GLN HBx 1.0 . 3.58 494 316 A 15 ARG H A 14 GLN HBx 1.0 . 2.91 495 316 A 14 GLN HBy A 15 ARG H 1.0 . 2.91 496 317 A 14 GLN HBx A 15 ARG HGx 1.0 . 4.30 497 317 A 15 ARG HGy A 14 GLN HBx 1.0 . 4.30 498 317 A 15 ARG HGy A 14 GLN HBy 1.0 . 4.30 499 317 A 14 GLN HBy A 15 ARG HGx 1.0 . 4.30 500 318 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 3.65 501 318 A 59 ILE HG2% A 59 ILE HG1y 1.0 . 3.65 502 319 A 10 ARG HA A 10 ARG HGx 1.0 . 4.18 503 320 A 9 ARG HA A 9 ARG HGx 1.0 . 4.11 504 321 A 11 LEU H A 10 ARG HGx 1.0 . 5.11 505 322 A 41 ARG H A 40 LYS HGx 1.0 . 5.39 506 322 A 41 ARG H A 40 LYS HGy 1.0 . 5.39 507 323 A 40 LYS HA A 40 LYS HGx 1.0 . 3.78 508 323 A 40 LYS HGy A 40 LYS HA 1.0 . 3.78 509 324 A 70 HIS HBy A 21 VAL HGx% 1.0 . 4.57 510 324 A 21 VAL HGy% A 70 HIS HBy 1.0 . 4.57 511 325 A 70 HIS HBx A 21 VAL HGx% 1.0 . 4.16 512 325 A 21 VAL HGy% A 70 HIS HBx 1.0 . 4.16 513 326 A 24 ALA H A 22 HIS HBx 1.0 . 5.50 514 326 A 22 HIS HBy A 24 ALA H 1.0 . 5.50 515 327 A 42 VAL HA A 45 HIS HBy 1.0 . 4.53 516 328 A 45 HIS HBx A 46 THR H 1.0 . 4.39 517 329 A 45 HIS HBx A 44 GLN H 1.0 . 5.44 518 330 A 20 LEU HBx A 20 LEU HDx% 1.0 . 3.23 519 331 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.92 520 332 A 88 LYS H A 88 LYS HGx 1.0 . 4.14 521 332 A 88 LYS H A 88 LYS HGy 1.0 . 4.14 522 333 A 121 LEU HBy A 121 LEU HDx% 1.0 . 2.84 523 333 A 121 LEU HDy% A 121 LEU HBx 1.0 . 2.84 524 333 A 121 LEU HBy A 121 LEU HDy% 1.0 . 2.84 525 333 A 121 LEU HBx A 121 LEU HDx% 1.0 . 2.84 526 334 A 63 LEU HBx A 63 LEU HDx% 1.0 . 2.54 527 334 A 63 LEU HBy A 63 LEU HDx% 1.0 . 2.54 528 334 A 63 LEU HDy% A 63 LEU HBx 1.0 . 2.54 529 334 A 63 LEU HDy% A 63 LEU HBy 1.0 . 2.54 530 335 A 46 THR HG2% A 63 LEU HDx% 1.0 . 2.76 531 335 A 63 LEU HDy% A 46 THR HG2% 1.0 . 2.76 532 336 A 62 GLN HGy A 121 LEU HDx% 1.0 . 4.16 533 336 A 62 GLN HGx A 121 LEU HDx% 1.0 . 4.16 534 336 A 121 LEU HDy% A 62 GLN HGx 1.0 . 4.16 535 336 A 62 GLN HGy A 121 LEU HDy% 1.0 . 4.16 536 337 A 17 ILE HA A 66 LEU HDx% 1.0 . 4.07 537 338 A 121 LEU HA A 121 LEU HDx% 1.0 . 3.66 538 338 A 121 LEU HDy% A 121 LEU HA 1.0 . 3.66 539 339 A 122 GLU H A 121 LEU HDx% 1.0 . 4.16 540 339 A 121 LEU HDy% A 122 GLU H 1.0 . 4.16 541 340 A 67 ALA H A 66 LEU HDx% 1.0 . 4.84 542 341 A 47 LYS HA A 47 LYS HGx 1.0 . 3.77 543 341 A 47 LYS HGy A 47 LYS HA 1.0 . 3.77 544 342 A 38 LYS HA A 38 LYS HGx 1.0 . 3.90 545 342 A 38 LYS HGy A 38 LYS HA 1.0 . 3.90 546 343 A 44 GLN HA A 47 LYS HGx 1.0 . 4.56 547 343 A 44 GLN HA A 47 LYS HGy 1.0 . 4.56 548 344 A 58 PRO HA A 61 LYS HGx 1.0 . 5.09 549 344 A 58 PRO HA A 61 LYS HGy 1.0 . 5.09 550 345 A 47 LYS H A 47 LYS HGx 1.0 . 4.07 551 345 A 47 LYS HGy A 47 LYS H 1.0 . 4.07 552 346 A 38 LYS HDy A 38 LYS HGx 1.0 . 2.62 553 346 A 38 LYS HGy A 38 LYS HDy 1.0 . 2.62 554 347 A 24 ALA HB% A 63 LEU HDx% 1.0 . 3.90 555 347 A 63 LEU HDy% A 24 ALA HB% 1.0 . 3.90 556 348 A 42 VAL HB A 63 LEU HDx% 1.0 . 5.00 557 348 A 63 LEU HDy% A 42 VAL HB 1.0 . 5.00 558 349 A 43 VAL HA A 63 LEU HDx% 1.0 . 3.58 559 349 A 43 VAL HA A 63 LEU HDy% 1.0 . 3.58 560 350 A 46 THR HB A 63 LEU HDx% 1.0 . 2.89 561 350 A 46 THR HB A 63 LEU HDy% 1.0 . 2.89 562 351 A 20 LEU HA A 63 LEU HDx% 1.0 . 5.00 563 351 A 20 LEU HA A 63 LEU HDy% 1.0 . 5.00 564 352 A 46 THR HA A 63 LEU HDx% 1.0 . 4.44 565 352 A 63 LEU HDy% A 46 THR HA 1.0 . 4.44 566 353 A 67 ALA H A 63 LEU HDx% 1.0 . 4.70 567 353 A 63 LEU HDy% A 67 ALA H 1.0 . 4.70 568 354 A 64 ILE H A 63 LEU HDx% 1.0 . 4.24 569 354 A 63 LEU HDy% A 64 ILE H 1.0 . 4.24 570 355 A 43 VAL H A 63 LEU HDx% 1.0 . 5.20 571 355 A 63 LEU HDy% A 43 VAL H 1.0 . 5.20 572 356 A 63 LEU H A 63 LEU HDx% 1.0 . 3.81 573 356 A 63 LEU HDy% A 63 LEU H 1.0 . 3.81 574 357 A 83 PHE H A 63 LEU HDx% 1.0 . 4.88 575 357 A 63 LEU HDy% A 83 PHE H 1.0 . 4.88 576 358 A 66 LEU H A 63 LEU HDx% 1.0 . 5.06 577 358 A 63 LEU HDy% A 66 LEU H 1.0 . 5.06 578 359 A 39 MET HGy A 38 LYS HGx 1.0 . 5.31 579 359 A 39 MET HGy A 38 LYS HGy 1.0 . 5.31 580 360 A 52 LYS HEx A 52 LYS HGx 1.0 . 3.89 581 360 A 52 LYS HEy A 52 LYS HGx 1.0 . 3.89 582 360 A 52 LYS HGy A 52 LYS HEx 1.0 . 3.89 583 360 A 52 LYS HEy A 52 LYS HGy 1.0 . 3.89 584 361 A 64 ILE HD1% A 63 LEU HDx% 1.0 . 4.37 585 361 A 63 LEU HDy% A 64 ILE HD1% 1.0 . 4.37 586 362 A 59 ILE HG2% A 63 LEU HDx% 1.0 . 3.52 587 362 A 63 LEU HDy% A 59 ILE HG2% 1.0 . 3.52 588 363 A 83 PHE HBx A 63 LEU HDx% 1.0 . 4.89 589 363 A 63 LEU HDy% A 83 PHE HBx 1.0 . 4.89 590 364 A 85 LEU HBx A 85 LEU HDx% 1.0 . 2.74 591 364 A 85 LEU HDy% A 85 LEU HBx 1.0 . 2.74 592 364 A 85 LEU HBy A 85 LEU HDy% 1.0 . 2.74 593 364 A 85 LEU HBy A 85 LEU HDx% 1.0 . 2.74 594 365 A 85 LEU HDy% A 89 GLN HBx 1.0 . 4.67 595 365 A 85 LEU HDx% A 89 GLN HBx 1.0 . 4.67 596 365 A 89 GLN HBy A 85 LEU HDx% 1.0 . 4.67 597 365 A 89 GLN HBy A 85 LEU HDy% 1.0 . 4.67 598 366 A 85 LEU HDy% A 89 GLN HGx 1.0 . 4.49 599 366 A 85 LEU HDx% A 89 GLN HGx 1.0 . 4.49 600 367 A 85 LEU HDy% A 89 GLN HGy 1.0 . 4.49 601 367 A 89 GLN HGy A 85 LEU HDx% 1.0 . 4.49 602 368 A 85 LEU HDy% A 86 ASN HBx 1.0 . 4.08 603 368 A 85 LEU HDx% A 86 ASN HBx 1.0 . 4.08 604 368 A 86 ASN HBy A 85 LEU HDx% 1.0 . 4.08 605 368 A 86 ASN HBy A 85 LEU HDy% 1.0 . 4.08 606 369 A 84 CYS HBx A 85 LEU HDx% 1.0 . 4.76 607 369 A 85 LEU HDy% A 84 CYS HBx 1.0 . 4.76 608 370 A 85 LEU HA A 85 LEU HDx% 1.0 . 3.64 609 370 A 85 LEU HDy% A 85 LEU HA 1.0 . 3.64 610 371 A 78 LYS HA A 85 LEU HDx% 1.0 . 4.21 611 371 A 78 LYS HA A 85 LEU HDy% 1.0 . 4.21 612 372 A 87 ILE H A 85 LEU HDx% 1.0 . 5.26 613 372 A 87 ILE H A 85 LEU HDy% 1.0 . 5.26 614 373 A 88 LYS H A 85 LEU HDx% 1.0 . 5.18 615 373 A 88 LYS H A 85 LEU HDy% 1.0 . 5.18 616 374 A 11 LEU HBx A 11 LEU HDx% 1.0 . 3.13 617 374 A 11 LEU HBy A 11 LEU HDx% 1.0 . 3.13 618 374 A 11 LEU HDy% A 11 LEU HBx 1.0 . 3.13 619 374 A 11 LEU HBy A 11 LEU HDy% 1.0 . 3.13 620 375 A 11 LEU HDx% A 14 GLN HBx 1.0 . 4.71 621 375 A 11 LEU HDy% A 14 GLN HBx 1.0 . 4.71 622 375 A 14 GLN HBy A 11 LEU HDx% 1.0 . 4.71 623 375 A 11 LEU HDy% A 14 GLN HBy 1.0 . 4.71 624 376 A 7 ASP HBx A 11 LEU HDx% 1.0 . 4.24 625 376 A 7 ASP HBy A 11 LEU HDx% 1.0 . 4.24 626 376 A 11 LEU HDy% A 7 ASP HBx 1.0 . 4.24 627 376 A 11 LEU HDy% A 7 ASP HBy 1.0 . 4.24 628 377 A 11 LEU HDy% A 15 ARG HDx 1.0 . 4.77 629 377 A 11 LEU HDx% A 15 ARG HDx 1.0 . 4.77 630 377 A 15 ARG HDy A 11 LEU HDx% 1.0 . 4.77 631 377 A 11 LEU HDy% A 15 ARG HDy 1.0 . 4.77 632 378 A 14 GLN HGx A 11 LEU HDx% 1.0 . 5.04 633 378 A 11 LEU HDy% A 14 GLN HGx 1.0 . 5.04 634 379 A 8 SER HBy A 11 LEU HDx% 1.0 . 4.45 635 379 A 8 SER HBx A 11 LEU HDx% 1.0 . 4.45 636 379 A 11 LEU HDy% A 8 SER HBx 1.0 . 4.45 637 379 A 8 SER HBy A 11 LEU HDy% 1.0 . 4.45 638 380 A 11 LEU H A 11 LEU HDx% 1.0 . 3.82 639 380 A 11 LEU HDy% A 11 LEU H 1.0 . 3.82 640 381 A 72 LYS HGy A 72 LYS HEx 1.0 . 4.13 641 381 A 72 LYS HGy A 72 LYS HEy 1.0 . 4.13 642 382 A 67 ALA H A 66 LEU HDy% 1.0 . 4.84 643 383 A 66 LEU H A 66 LEU HDy% 1.0 . 4.27 644 384 A 81 VAL HGy% A 70 HIS HE1 1.0 . 4.51 645 385 A 81 VAL HA A 81 VAL HGy% 1.0 . 3.15 646 386 A 81 VAL HGy% A 82 PRO HDx 1.0 . 4.36 647 387 A 21 VAL HA A 81 VAL HGy% 1.0 . 3.22 648 388 A 81 VAL HGy% A 25 GLN HGy 1.0 . 4.92 649 389 A 81 VAL HGy% A 21 VAL HGx% 1.0 . 2.85 650 389 A 21 VAL HGy% A 81 VAL HGy% 1.0 . 2.85 651 390 A 117 LEU HBy A 117 LEU HDy% 1.0 . 3.25 652 391 A 114 PHE HBy A 117 LEU HDy% 1.0 . 4.45 653 391 A 114 PHE HBx A 117 LEU HDy% 1.0 . 4.45 654 392 A 117 LEU HA A 117 LEU HDy% 1.0 . 3.64 655 393 A 114 PHE HD% A 117 LEU HDy% 1.0 . 4.11 656 394 A 118 TRP H A 117 LEU HDy% 1.0 . 5.43 657 395 A 40 LYS HA A 43 VAL HGx% 1.0 . 3.51 658 395 A 43 VAL HGy% A 40 LYS HA 1.0 . 3.51 659 396 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.92 660 397 A 41 ARG HA A 43 VAL HGx% 1.0 . 4.43 661 397 A 43 VAL HGy% A 41 ARG HA 1.0 . 4.43 662 398 A 43 VAL H A 43 VAL HGx% 1.0 . 2.96 663 398 A 43 VAL HGy% A 43 VAL H 1.0 . 2.96 664 399 A 81 VAL H A 21 VAL HGx% 1.0 . 4.88 665 399 A 21 VAL HGy% A 81 VAL H 1.0 . 4.88 666 400 A 42 VAL H A 43 VAL HGx% 1.0 . 4.20 667 400 A 43 VAL HGy% A 42 VAL H 1.0 . 4.20 668 401 A 42 VAL H A 42 VAL HGx% 1.0 . 3.99 669 402 A 43 VAL HA A 46 THR HG2% 1.0 . 3.55 670 403 A 46 THR HG2% A 83 PHE HD% 1.0 . 4.80 671 404 A 46 THR HG2% A 46 THR H 1.0 . 3.25 672 405 A 112 THR HG2% A 10 ARG HBx 1.0 . 4.70 673 405 A 112 THR HG2% A 10 ARG HBy 1.0 . 4.70 674 406 A 112 THR HG2% A 10 ARG HGy 1.0 . 3.95 675 407 A 113 THR HG2% A 116 HIS HBx 1.0 . 4.61 676 407 A 116 HIS HBy A 113 THR HG2% 1.0 . 4.61 677 408 A 112 THR HA A 112 THR HG2% 1.0 . 3.25 678 409 A 114 PHE HD% A 112 THR HG2% 1.0 . 4.55 679 410 A 126 THR HG2% A 127 TYR HBy 1.0 . 4.74 680 411 A 126 THR HA A 126 THR HG2% 1.0 . 3.37 681 412 A 127 TYR HA A 126 THR HG2% 1.0 . 4.23 682 413 A 71 ALA HB% A 88 LYS HDx 1.0 . 3.10 683 413 A 71 ALA HB% A 88 LYS HDy 1.0 . 3.10 684 414 A 23 ALA HB% A 39 MET HBx 1.0 . 3.08 685 415 A 23 ALA HB% A 40 LYS HGx 1.0 . 3.58 686 415 A 23 ALA HB% A 40 LYS HGy 1.0 . 3.58 687 416 A 71 ALA HB% A 72 LYS HGy 1.0 . 4.42 688 417 A 71 ALA HB% A 72 LYS HGx 1.0 . 5.22 689 418 A 23 ALA HB% A 43 VAL HGx% 1.0 . 3.31 690 418 A 43 VAL HGy% A 23 ALA HB% 1.0 . 3.31 691 419 A 71 ALA HB% A 87 ILE HG2% 1.0 . 3.33 692 420 A 23 ALA HB% A 39 MET HBy 1.0 . 3.23 693 421 A 26 CYS HBx A 23 ALA HB% 1.0 . 3.91 694 422 A 71 ALA HB% A 84 CYS HBy 1.0 . 4.45 695 423 A 71 ALA HB% A 68 ALA HA 1.0 . 3.11 696 424 A 20 LEU HA A 23 ALA HB% 1.0 . 3.21 697 425 A 23 ALA HB% A 40 LYS HA 1.0 . 3.45 698 426 A 23 ALA HB% A 22 HIS HBx 1.0 . 4.31 699 426 A 22 HIS HBy A 23 ALA HB% 1.0 . 4.31 700 427 A 23 ALA HB% A 40 LYS HEy 1.0 . 4.79 701 428 A 71 ALA HB% A 70 HIS HBx 1.0 . 4.56 702 429 A 23 ALA HB% A 40 LYS HEx 1.0 . 4.79 703 430 A 71 ALA HB% A 70 HIS HA 1.0 . 5.02 704 431 A 19 SER HA A 23 ALA HB% 1.0 . 4.76 705 432 A 39 MET HA A 23 ALA HB% 1.0 . 4.34 706 433 A 40 LYS H A 23 ALA HB% 1.0 . 3.66 707 434 A 71 ALA HB% A 71 ALA H 1.0 . 2.99 708 435 A 23 ALA H A 23 ALA HB% 1.0 . 3.02 709 436 A 71 ALA HB% A 87 ILE H 1.0 . 4.66 710 437 A 23 ALA HB% A 22 HIS H 1.0 . 4.60 711 438 A 26 CYS H A 23 ALA HB% 1.0 . 4.38 712 439 A 81 VAL HGx% A 67 ALA HB% 1.0 . 3.55 713 440 A 81 VAL HGx% A 84 CYS HBy 1.0 . 3.73 714 441 A 81 VAL HGx% A 84 CYS HBx 1.0 . 3.81 715 442 A 81 VAL HGx% A 82 PRO HDx 1.0 . 3.49 716 443 A 81 VAL HGx% A 81 VAL HA 1.0 . 3.45 717 444 A 81 VAL HGx% A 83 PHE HBy 1.0 . 3.74 718 445 A 81 VAL HGx% A 82 PRO HDy 1.0 . 3.49 719 446 A 81 VAL HGx% A 83 PHE HA 1.0 . 4.87 720 447 A 81 VAL HGx% A 83 PHE H 1.0 . 5.32 721 448 A 81 VAL HGx% A 85 LEU H 1.0 . 4.88 722 449 A 81 VAL HGx% A 63 LEU HDx% 1.0 . 3.84 723 449 A 63 LEU HDy% A 81 VAL HGx% 1.0 . 3.84 724 450 A 67 ALA HB% A 63 LEU HDx% 1.0 . 3.82 725 450 A 63 LEU HDy% A 67 ALA HB% 1.0 . 3.82 726 451 A 67 ALA HB% A 64 ILE HD1% 1.0 . 5.04 727 452 A 67 ALA HB% A 84 CYS HBy 1.0 . 4.56 728 453 A 67 ALA HB% A 83 PHE HBx 1.0 . 3.61 729 454 A 64 ILE HA A 67 ALA HB% 1.0 . 2.99 730 455 A 67 ALA HB% A 68 ALA HA 1.0 . 4.00 731 456 A 67 ALA HB% A 83 PHE HA 1.0 . 4.92 732 457 A 67 ALA HB% A 83 PHE H 1.0 . 5.23 733 458 A 67 ALA HB% A 67 ALA H 1.0 . 3.09 734 459 A 67 ALA HB% A 71 ALA H 1.0 . 5.15 735 460 A 67 ALA HB% A 64 ILE H 1.0 . 4.44 736 461 A 16 ALA HB% A 66 LEU HDx% 1.0 . 3.25 737 462 A 16 ALA HB% A 66 LEU HDy% 1.0 . 3.25 738 463 A 81 VAL HGx% A 24 ALA HB% 1.0 . 3.95 739 464 A 24 ALA HB% A 43 VAL HGx% 1.0 . 3.13 740 464 A 43 VAL HGy% A 24 ALA HB% 1.0 . 3.13 741 465 A 16 ALA HB% A 13 ILE HG2% 1.0 . 3.86 742 466 A 65 ALA HB% A 66 LEU HBx 1.0 . 4.08 743 466 A 65 ALA HB% A 66 LEU HBy 1.0 . 4.08 744 467 A 20 LEU HBy A 16 ALA HB% 1.0 . 4.35 745 468 A 24 ALA HB% A 82 PRO HDx 1.0 . 4.31 746 469 A 21 VAL HA A 24 ALA HB% 1.0 . 3.46 747 470 A 24 ALA HB% A 25 GLN HGy 1.0 . 4.11 748 471 A 24 ALA HB% A 81 VAL HGy% 1.0 . 3.24 749 472 A 65 ALA HB% A 65 ALA H 1.0 . 2.87 750 473 A 16 ALA HB% A 15 ARG H 1.0 . 4.83 751 474 A 17 ILE HG2% A 70 HIS HA 1.0 . 4.13 752 475 A 17 ILE HG2% A 18 GLN HA 1.0 . 3.85 753 476 A 17 ILE HG2% A 14 GLN HA 1.0 . 4.32 754 477 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.23 755 478 A 17 ILE HG2% A 70 HIS HBy 1.0 . 4.06 756 479 A 17 ILE HG2% A 70 HIS HBx 1.0 . 3.59 757 480 A 17 ILE HG2% A 18 GLN HGy 1.0 . 4.69 758 481 A 17 ILE HG2% A 18 GLN HBy 1.0 . 5.02 759 482 A 17 ILE HG2% A 17 ILE HD1% 1.0 . 2.73 760 483 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.08 761 483 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.08 762 484 A 59 ILE HG2% A 63 LEU HBx 1.0 . 3.91 763 484 A 59 ILE HG2% A 63 LEU HBy 1.0 . 3.91 764 485 A 46 THR HG2% A 59 ILE HG2% 1.0 . 4.03 765 486 A 59 ILE HG2% A 45 HIS HBy 1.0 . 4.80 766 487 A 59 ILE HG2% A 59 ILE HA 1.0 . 3.06 767 488 A 59 ILE HG2% A 45 HIS HBx 1.0 . 4.19 768 489 A 59 ILE HG2% A 59 ILE H 1.0 . 3.90 769 490 A 59 ILE HG2% A 60 CYS H 1.0 . 3.87 770 491 A 64 ILE HG2% A 68 ALA HB% 1.0 . 3.46 771 492 A 87 ILE HG2% A 88 LYS HDx 1.0 . 3.36 772 492 A 88 LYS HDy A 87 ILE HG2% 1.0 . 3.36 773 493 A 87 ILE HG2% A 68 ALA HB% 1.0 . 3.31 774 494 A 68 ALA HA A 87 ILE HG2% 1.0 . 3.22 775 495 A 88 LYS HA A 87 ILE HG2% 1.0 . 3.54 776 496 A 87 ILE HG2% A 72 LYS H 1.0 . 5.50 777 497 A 89 GLN H A 87 ILE HG2% 1.0 . 5.00 778 498 A 87 ILE H A 87 ILE HG2% 1.0 . 3.89 779 499 A 88 LYS H A 87 ILE HG2% 1.0 . 3.91 780 500 A 87 ILE HG2% A 68 ALA H 1.0 . 4.68 781 501 A 87 ILE HG2% A 86 ASN HBx 1.0 . 5.28 782 501 A 86 ASN HBy A 87 ILE HG2% 1.0 . 5.28 783 502 A 104 ILE HG2% A 104 ILE HG1y 1.0 . 3.48 784 503 A 104 ILE HG2% A 104 ILE HG1x 1.0 . 3.48 785 504 A 104 ILE HG2% A 105 GLU HGx 1.0 . 4.38 786 504 A 105 GLU HGy A 104 ILE HG2% 1.0 . 4.38 787 505 A 104 ILE HA A 104 ILE HG2% 1.0 . 3.28 788 506 A 105 GLU HA A 104 ILE HG2% 1.0 . 4.57 789 507 A 64 ILE HG2% A 64 ILE HG1x 1.0 . 3.44 790 507 A 64 ILE HG1y A 64 ILE HG2% 1.0 . 3.44 791 508 A 67 ALA HB% A 64 ILE HG2% 1.0 . 3.92 792 509 A 64 ILE HA A 64 ILE HG2% 1.0 . 3.32 793 510 A 65 ALA HA A 64 ILE HG2% 1.0 . 3.78 794 511 A 64 ILE HG2% A 65 ALA H 1.0 . 3.54 795 512 A 64 ILE HG2% A 83 PHE HD% 1.0 . 4.71 796 513 A 66 LEU H A 64 ILE HG2% 1.0 . 5.18 797 514 A 64 ILE HG2% A 68 ALA H 1.0 . 4.37 798 515 A 64 ILE HG2% A 67 ALA H 1.0 . 4.96 799 516 A 64 ILE HG2% A 90 LYS HEx 1.0 . 5.14 800 516 A 64 ILE HG2% A 90 LYS HEy 1.0 . 5.14 801 517 A 17 ILE HD1% A 13 ILE HG2% 1.0 . 3.05 802 518 A 17 ILE HG2% A 13 ILE HG2% 1.0 . 4.49 803 519 A 13 ILE HG2% A 17 ILE HG1x 1.0 . 3.95 804 519 A 17 ILE HG1y A 13 ILE HG2% 1.0 . 3.95 805 520 A 13 ILE HG2% A 13 ILE HG1y 1.0 . 3.35 806 521 A 17 ILE HB A 13 ILE HG2% 1.0 . 4.25 807 522 A 13 ILE HG2% A 14 GLN HBx 1.0 . 4.75 808 522 A 14 GLN HBy A 13 ILE HG2% 1.0 . 4.75 809 523 A 14 GLN HGy A 13 ILE HG2% 1.0 . 4.60 810 524 A 13 ILE HG2% A 10 ARG HDx 1.0 . 4.93 811 524 A 10 ARG HDy A 13 ILE HG2% 1.0 . 4.93 812 525 A 66 LEU HA A 13 ILE HG2% 1.0 . 4.51 813 526 A 14 GLN HA A 13 ILE HG2% 1.0 . 3.75 814 527 A 20 LEU HBx A 39 MET HE% 1.0 . 3.70 815 528 A 16 ALA HB% A 39 MET HE% 1.0 . 3.32 816 529 A 39 MET HE% A 20 LEU HG 1.0 . 3.65 817 530 A 39 MET HE% A 38 LYS HGx 1.0 . 4.34 818 530 A 38 LYS HGy A 39 MET HE% 1.0 . 4.34 819 531 A 39 MET HE% A 20 LEU HDy% 1.0 . 3.72 820 532 A 39 MET HE% A 20 LEU HDx% 1.0 . 3.72 821 533 A 20 LEU HBy A 39 MET HE% 1.0 . 3.15 822 534 A 39 MET HGx A 39 MET HE% 1.0 . 3.34 823 535 A 39 MET HGy A 39 MET HE% 1.0 . 3.26 824 536 A 39 MET HE% A 38 LYS HEx 1.0 . 5.50 825 536 A 38 LYS HEy A 39 MET HE% 1.0 . 5.50 826 537 A 39 MET HE% A 128 PHE HBx 1.0 . 5.50 827 538 A 17 ILE HA A 39 MET HE% 1.0 . 4.60 828 539 A 20 LEU HA A 39 MET HE% 1.0 . 3.39 829 540 A 39 MET HE% A 16 ALA HA 1.0 . 3.67 830 541 A 19 SER HA A 39 MET HE% 1.0 . 4.86 831 542 A 39 MET HA A 39 MET HE% 1.0 . 4.64 832 543 A 39 MET HE% A 128 PHE HA 1.0 . 4.97 833 544 A 21 VAL H A 39 MET HE% 1.0 . 4.97 834 545 A 39 MET HE% A 20 LEU H 1.0 . 3.49 835 546 A 16 ALA HB% A 17 ILE HD1% 1.0 . 4.40 836 547 A 17 ILE HB A 17 ILE HD1% 1.0 . 3.27 837 548 A 14 GLN HGx A 17 ILE HD1% 1.0 . 4.97 838 549 A 70 HIS HBy A 17 ILE HD1% 1.0 . 4.77 839 550 A 17 ILE HA A 17 ILE HD1% 1.0 . 4.09 840 551 A 14 GLN HA A 17 ILE HD1% 1.0 . 3.50 841 552 A 66 LEU HA A 17 ILE HD1% 1.0 . 4.24 842 553 A 17 ILE HD1% A 70 HIS HA 1.0 . 4.74 843 554 A 17 ILE HD1% A 69 TYR H 1.0 . 4.69 844 555 A 18 GLN H A 17 ILE HD1% 1.0 . 4.35 845 556 A 14 GLN H A 17 ILE HD1% 1.0 . 3.90 846 557 A 87 ILE HD1% A 64 ILE HD1% 1.0 . 4.37 847 558 A 87 ILE HD1% A 64 ILE HG1x 1.0 . 3.04 848 558 A 64 ILE HG1y A 87 ILE HD1% 1.0 . 3.04 849 559 A 87 ILE HD1% A 68 ALA HB% 1.0 . 3.08 850 560 A 71 ALA HB% A 87 ILE HD1% 1.0 . 3.39 851 561 A 67 ALA HB% A 87 ILE HD1% 1.0 . 3.02 852 562 A 87 ILE HD1% A 86 ASN HBx 1.0 . 4.56 853 562 A 86 ASN HBy A 87 ILE HD1% 1.0 . 4.56 854 563 A 87 ILE HD1% A 90 LYS HEx 1.0 . 5.14 855 563 A 87 ILE HD1% A 90 LYS HEy 1.0 . 5.14 856 564 A 87 ILE HD1% A 83 PHE HBx 1.0 . 3.64 857 565 A 64 ILE HA A 87 ILE HD1% 1.0 . 3.53 858 566 A 84 CYS HA A 87 ILE HD1% 1.0 . 3.70 859 567 A 87 ILE HD1% A 68 ALA HA 1.0 . 3.13 860 568 A 87 ILE HD1% A 84 CYS H 1.0 . 4.64 861 569 A 87 ILE HD1% A 87 ILE H 1.0 . 3.93 862 570 A 87 ILE HD1% A 64 ILE H 1.0 . 5.17 863 571 A 88 LYS H A 87 ILE HD1% 1.0 . 5.38 864 572 A 87 ILE HD1% A 68 ALA H 1.0 . 3.86 865 573 A 71 ALA H A 87 ILE HD1% 1.0 . 5.09 866 574 A 64 ILE HG2% A 64 ILE HD1% 1.0 . 2.91 867 575 A 64 ILE HB A 64 ILE HD1% 1.0 . 3.47 868 576 A 64 ILE HD1% A 90 LYS HDx 1.0 . 5.50 869 576 A 64 ILE HD1% A 90 LYS HDy 1.0 . 5.50 870 577 A 63 LEU HG A 64 ILE HD1% 1.0 . 5.11 871 578 A 64 ILE HD1% A 90 LYS HEx 1.0 . 4.63 872 578 A 90 LYS HEy A 64 ILE HD1% 1.0 . 4.63 873 579 A 64 ILE HA A 64 ILE HD1% 1.0 . 3.77 874 580 A 61 LYS HA A 64 ILE HD1% 1.0 . 3.86 875 581 A 83 PHE HA A 64 ILE HD1% 1.0 . 4.88 876 582 A 87 ILE HD1% A 83 PHE H 1.0 . 5.50 877 583 A 13 ILE HD1% A 10 ARG HGy 1.0 . 5.45 878 584 A 13 ILE HD1% A 13 ILE HB 1.0 . 3.29 879 585 A 13 ILE HD1% A 9 ARG HBx 1.0 . 3.76 880 585 A 13 ILE HD1% A 9 ARG HBy 1.0 . 3.76 881 586 A 13 ILE HD1% A 9 ARG HDx 1.0 . 4.71 882 586 A 13 ILE HD1% A 9 ARG HDy 1.0 . 4.71 883 587 A 13 ILE HD1% A 10 ARG HDx 1.0 . 4.38 884 587 A 13 ILE HD1% A 10 ARG HDy 1.0 . 4.38 885 588 A 13 ILE HD1% A 10 ARG HA 1.0 . 3.72 886 589 A 13 ILE HD1% A 9 ARG HA 1.0 . 5.18 887 590 A 13 ILE HD1% A 13 ILE HA 1.0 . 5.38 888 591 A 13 ILE HD1% A 13 ILE H 1.0 . 3.77 889 592 A 59 ILE HG2% A 59 ILE HD1% 1.0 . 2.88 890 593 A 59 ILE HB A 59 ILE HD1% 1.0 . 3.27 891 594 A 127 TYR HBy A 59 ILE HD1% 1.0 . 4.95 892 595 A 59 ILE HA A 59 ILE HD1% 1.0 . 4.05 893 596 A 59 ILE HD1% A 58 PRO HDx 1.0 . 4.65 894 596 A 58 PRO HDy A 59 ILE HD1% 1.0 . 4.65 895 597 A 59 ILE H A 59 ILE HD1% 1.0 . 3.98 896 598 A 59 ILE HD1% A 45 HIS HE1 1.0 . 4.61 897 599 A 60 CYS H A 59 ILE HD1% 1.0 . 4.88 898 600 A 81 VAL HGy% A 84 CYS HBy 1.0 . 4.32 899 601 A 113 THR H A 114 PHE H 1.0 . 4.54 900 602 A 113 THR HG2% A 114 PHE H 1.0 . 4.66 901 603 A 114 PHE H A 114 PHE HBx 1.0 . 3.65 902 603 A 114 PHE HBy A 114 PHE H 1.0 . 3.65 903 604 A 3 GLN H A 3 GLN HGx 1.0 . 4.81 904 604 A 3 GLN H A 3 GLN HGy 1.0 . 4.81 905 605 A 3 GLN H A 2 THR HG2% 1.0 . 4.78 906 606 A 3 GLN HA A 4 SER H 1.0 . 3.19 907 607 A 7 ASP H A 8 SER H 1.0 . 4.19 908 608 A 7 ASP H A 6 GLY HAx 1.0 . 3.20 909 608 A 6 GLY HAy A 7 ASP H 1.0 . 3.20 910 609 A 7 ASP H A 7 ASP HBx 1.0 . 3.09 911 609 A 7 ASP HBy A 7 ASP H 1.0 . 3.09 912 610 A 8 SER H A 8 SER HBx 1.0 . 3.71 913 610 A 8 SER HBy A 8 SER H 1.0 . 3.71 914 611 A 8 SER H A 7 ASP HBx 1.0 . 3.97 915 611 A 7 ASP HBy A 8 SER H 1.0 . 3.97 916 612 A 9 ARG H A 8 SER HBx 1.0 . 3.95 917 612 A 8 SER HBy A 9 ARG H 1.0 . 3.95 918 613 A 9 ARG H A 9 ARG HBx 1.0 . 3.18 919 613 A 9 ARG HBy A 9 ARG H 1.0 . 3.18 920 614 A 9 ARG H A 9 ARG HGy 1.0 . 4.40 921 615 A 9 ARG H A 9 ARG HGx 1.0 . 4.40 922 616 A 9 ARG H A 10 ARG H 1.0 . 3.64 923 617 A 11 LEU H A 10 ARG H 1.0 . 3.27 924 618 A 10 ARG H A 10 ARG HDx 1.0 . 4.56 925 618 A 10 ARG HDy A 10 ARG H 1.0 . 4.56 926 619 A 10 ARG H A 7 ASP HBx 1.0 . 4.89 927 619 A 7 ASP HBy A 10 ARG H 1.0 . 4.89 928 620 A 10 ARG HGy A 10 ARG H 1.0 . 3.53 929 621 A 10 ARG HGx A 10 ARG H 1.0 . 3.87 930 622 A 10 ARG H A 11 LEU HDx% 1.0 . 5.03 931 622 A 11 LEU HDy% A 10 ARG H 1.0 . 5.03 932 623 A 11 LEU H A 10 ARG HBx 1.0 . 3.36 933 623 A 11 LEU H A 10 ARG HBy 1.0 . 3.36 934 624 A 11 LEU H A 11 LEU HBx 1.0 . 3.13 935 624 A 11 LEU HBy A 11 LEU H 1.0 . 3.13 936 625 A 11 LEU H A 11 LEU HG 1.0 . 3.82 937 626 A 11 LEU H A 10 ARG HDx 1.0 . 5.25 938 626 A 11 LEU H A 10 ARG HDy 1.0 . 5.25 939 627 A 11 LEU H A 7 ASP HBx 1.0 . 5.21 940 627 A 11 LEU H A 7 ASP HBy 1.0 . 5.21 941 628 A 12 SER H A 12 SER HBy 1.0 . 3.71 942 629 A 12 SER H A 12 SER HBx 1.0 . 3.71 943 630 A 12 SER H A 10 ARG HBx 1.0 . 4.85 944 630 A 10 ARG HBy A 12 SER H 1.0 . 4.85 945 631 A 12 SER H A 11 LEU HBx 1.0 . 3.54 946 631 A 11 LEU HBy A 12 SER H 1.0 . 3.54 947 632 A 12 SER H A 11 LEU HDx% 1.0 . 4.17 948 632 A 11 LEU HDy% A 12 SER H 1.0 . 4.17 949 633 A 13 ILE H A 12 SER HBy 1.0 . 3.95 950 634 A 13 ILE H A 12 SER HBx 1.0 . 3.95 951 635 A 13 ILE H A 14 GLN HBx 1.0 . 4.92 952 635 A 14 GLN HBy A 13 ILE H 1.0 . 4.92 953 636 A 13 ILE H A 9 ARG HBx 1.0 . 5.50 954 636 A 13 ILE H A 9 ARG HBy 1.0 . 5.50 955 637 A 13 ILE H A 10 ARG HBx 1.0 . 5.50 956 637 A 13 ILE H A 10 ARG HBy 1.0 . 5.50 957 638 A 13 ILE H A 13 ILE HB 1.0 . 3.09 958 639 A 13 ILE H A 13 ILE HG1y 1.0 . 3.56 959 640 A 13 ILE H A 13 ILE HG1x 1.0 . 3.72 960 641 A 13 ILE H A 13 ILE HG2% 1.0 . 4.05 961 642 A 11 LEU HA A 14 GLN H 1.0 . 3.90 962 643 A 14 GLN HGy A 14 GLN H 1.0 . 3.67 963 644 A 14 GLN H A 14 GLN HBx 1.0 . 2.95 964 644 A 14 GLN HBy A 14 GLN H 1.0 . 2.95 965 645 A 15 ARG HBy A 14 GLN H 1.0 . 4.97 966 646 A 14 GLN H A 10 ARG HBx 1.0 . 4.78 967 646 A 10 ARG HBy A 14 GLN H 1.0 . 4.78 968 647 A 13 ILE HB A 14 GLN H 1.0 . 3.25 969 648 A 14 GLN H A 13 ILE HG1y 1.0 . 5.49 970 649 A 16 ALA HB% A 14 GLN H 1.0 . 5.50 971 650 A 14 GLN H A 17 ILE HG1x 1.0 . 5.21 972 650 A 17 ILE HG1y A 14 GLN H 1.0 . 5.21 973 651 A 14 GLN H A 13 ILE HG1x 1.0 . 4.40 974 652 A 14 GLN H A 13 ILE HG2% 1.0 . 3.41 975 653 A 17 ILE H A 15 ARG H 1.0 . 4.49 976 654 A 15 ARG H A 12 SER HA 1.0 . 4.02 977 655 A 15 ARG H A 15 ARG HDx 1.0 . 4.40 978 655 A 15 ARG HDy A 15 ARG H 1.0 . 4.40 979 656 A 15 ARG HBy A 15 ARG H 1.0 . 2.89 980 657 A 15 ARG H A 15 ARG HBx 1.0 . 3.79 981 658 A 15 ARG H A 15 ARG HGx 1.0 . 3.77 982 658 A 15 ARG HGy A 15 ARG H 1.0 . 3.77 983 659 A 15 ARG H A 11 LEU HDx% 1.0 . 5.50 984 659 A 11 LEU HDy% A 15 ARG H 1.0 . 5.50 985 660 A 13 ILE HG2% A 15 ARG H 1.0 . 5.29 986 661 A 16 ALA H A 15 ARG H 1.0 . 3.11 987 662 A 16 ALA H A 12 SER HA 1.0 . 4.62 988 663 A 14 GLN HA A 16 ALA H 1.0 . 4.96 989 664 A 16 ALA H A 15 ARG HDx 1.0 . 5.11 990 664 A 15 ARG HDy A 16 ALA H 1.0 . 5.11 991 665 A 16 ALA H A 14 GLN HBx 1.0 . 5.05 992 665 A 14 GLN HBy A 16 ALA H 1.0 . 5.05 993 666 A 17 ILE HB A 16 ALA H 1.0 . 5.10 994 667 A 15 ARG HBy A 16 ALA H 1.0 . 3.28 995 668 A 16 ALA H A 15 ARG HBx 1.0 . 4.22 996 669 A 16 ALA H A 15 ARG HGx 1.0 . 4.40 997 669 A 15 ARG HGy A 16 ALA H 1.0 . 4.40 998 670 A 16 ALA HB% A 16 ALA H 1.0 . 2.84 999 671 A 13 ILE HG2% A 16 ALA H 1.0 . 4.91 1000 672 A 17 ILE H A 18 GLN H 1.0 . 3.15 1001 673 A 17 ILE H A 16 ALA H 1.0 . 3.21 1002 674 A 17 ILE H A 14 GLN HA 1.0 . 3.88 1003 675 A 18 GLN HBy A 17 ILE H 1.0 . 5.10 1004 676 A 17 ILE H A 17 ILE HB 1.0 . 2.98 1005 677 A 16 ALA HB% A 17 ILE H 1.0 . 3.19 1006 678 A 17 ILE H A 17 ILE HG1x 1.0 . 3.44 1007 678 A 17 ILE HG1y A 17 ILE H 1.0 . 3.44 1008 679 A 17 ILE HG2% A 17 ILE H 1.0 . 3.86 1009 680 A 17 ILE H A 17 ILE HD1% 1.0 . 3.72 1010 681 A 17 ILE H A 66 LEU HDx% 1.0 . 4.21 1011 682 A 17 ILE H A 66 LEU HDy% 1.0 . 4.21 1012 683 A 17 ILE H A 13 ILE HG2% 1.0 . 4.44 1013 684 A 18 GLN H A 18 GLN HGy 1.0 . 3.69 1014 685 A 18 GLN HBy A 18 GLN H 1.0 . 3.07 1015 686 A 18 GLN H A 18 GLN HBx 1.0 . 3.63 1016 687 A 17 ILE HB A 18 GLN H 1.0 . 3.26 1017 688 A 16 ALA HB% A 18 GLN H 1.0 . 4.89 1018 689 A 18 GLN H A 17 ILE HG1x 1.0 . 4.64 1019 689 A 17 ILE HG1y A 18 GLN H 1.0 . 4.64 1020 690 A 17 ILE HG2% A 18 GLN H 1.0 . 3.77 1021 691 A 18 GLN H A 21 VAL HGx% 1.0 . 4.84 1022 691 A 21 VAL HGy% A 18 GLN H 1.0 . 4.84 1023 692 A 21 VAL H A 19 SER H 1.0 . 4.58 1024 693 A 126 THR H A 126 THR HB 1.0 . 3.00 1025 694 A 17 ILE HA A 19 SER H 1.0 . 4.67 1026 695 A 18 GLN HBy A 19 SER H 1.0 . 3.40 1027 696 A 39 MET HE% A 19 SER H 1.0 . 4.49 1028 697 A 16 ALA HB% A 19 SER H 1.0 . 4.98 1029 698 A 17 ILE HG2% A 19 SER H 1.0 . 5.04 1030 699 A 19 SER H A 21 VAL HGx% 1.0 . 4.75 1031 699 A 21 VAL HGy% A 19 SER H 1.0 . 4.75 1032 700 A 21 VAL H A 20 LEU H 1.0 . 3.18 1033 701 A 17 ILE HA A 20 LEU H 1.0 . 3.86 1034 702 A 20 LEU H A 22 HIS HBx 1.0 . 4.84 1035 702 A 22 HIS HBy A 20 LEU H 1.0 . 4.84 1036 703 A 39 MET HGx A 20 LEU H 1.0 . 4.56 1037 704 A 18 GLN HBy A 20 LEU H 1.0 . 5.40 1038 705 A 20 LEU HBy A 20 LEU H 1.0 . 3.00 1039 706 A 20 LEU HBx A 20 LEU H 1.0 . 3.06 1040 707 A 16 ALA HB% A 20 LEU H 1.0 . 4.91 1041 708 A 20 LEU HG A 20 LEU H 1.0 . 5.21 1042 709 A 17 ILE HG2% A 20 LEU H 1.0 . 4.77 1043 710 A 20 LEU H A 21 VAL HGx% 1.0 . 3.76 1044 710 A 21 VAL HGy% A 20 LEU H 1.0 . 3.76 1045 711 A 18 GLN HA A 21 VAL H 1.0 . 3.91 1046 712 A 17 ILE HA A 21 VAL H 1.0 . 4.40 1047 713 A 20 LEU HBx A 21 VAL H 1.0 . 3.74 1048 714 A 21 VAL H A 20 LEU HG 1.0 . 5.06 1049 715 A 24 ALA HB% A 21 VAL H 1.0 . 4.89 1050 716 A 17 ILE HG2% A 21 VAL H 1.0 . 4.24 1051 717 A 21 VAL H A 21 VAL HGx% 1.0 . 2.83 1052 717 A 21 VAL HGy% A 21 VAL H 1.0 . 2.83 1053 718 A 81 VAL HGy% A 21 VAL H 1.0 . 4.95 1054 719 A 22 HIS H A 20 LEU H 1.0 . 4.40 1055 720 A 21 VAL H A 22 HIS H 1.0 . 3.14 1056 721 A 23 ALA H A 22 HIS H 1.0 . 3.28 1057 722 A 19 SER HA A 22 HIS H 1.0 . 3.76 1058 723 A 18 GLN HA A 22 HIS H 1.0 . 4.20 1059 724 A 22 HIS H A 22 HIS HBx 1.0 . 2.71 1060 724 A 22 HIS HBy A 22 HIS H 1.0 . 2.71 1061 725 A 24 ALA HB% A 22 HIS H 1.0 . 4.73 1062 726 A 22 HIS H A 21 VAL HGx% 1.0 . 3.23 1063 726 A 21 VAL HGy% A 22 HIS H 1.0 . 3.23 1064 727 A 20 LEU HA A 23 ALA H 1.0 . 4.09 1065 728 A 23 ALA H A 22 HIS HBx 1.0 . 3.32 1066 728 A 23 ALA H A 22 HIS HBy 1.0 . 3.32 1067 729 A 23 ALA H A 26 CYS HBx 1.0 . 5.24 1068 730 A 23 ALA H A 39 MET HGx 1.0 . 5.50 1069 731 A 23 ALA H A 39 MET HBy 1.0 . 4.89 1070 732 A 23 ALA H A 39 MET HBx 1.0 . 5.01 1071 733 A 24 ALA HB% A 23 ALA H 1.0 . 4.39 1072 734 A 23 ALA H A 21 VAL HGx% 1.0 . 4.47 1073 734 A 21 VAL HGy% A 23 ALA H 1.0 . 4.47 1074 735 A 23 ALA H A 24 ALA H 1.0 . 3.26 1075 736 A 24 ALA H A 22 HIS H 1.0 . 4.45 1076 737 A 24 ALA H A 25 GLN H 1.0 . 3.12 1077 738 A 21 VAL HA A 24 ALA H 1.0 . 3.72 1078 739 A 24 ALA H A 25 GLN HGy 1.0 . 4.80 1079 740 A 23 ALA HB% A 24 ALA H 1.0 . 3.18 1080 741 A 24 ALA HB% A 24 ALA H 1.0 . 2.68 1081 742 A 24 ALA H A 43 VAL HGx% 1.0 . 3.88 1082 742 A 43 VAL HGy% A 24 ALA H 1.0 . 3.88 1083 743 A 81 VAL HGy% A 24 ALA H 1.0 . 4.51 1084 744 A 25 GLN H A 26 CYS HA 1.0 . 4.65 1085 745 A 21 VAL HA A 25 GLN H 1.0 . 5.22 1086 746 A 25 GLN H A 22 HIS HBx 1.0 . 5.50 1087 746 A 22 HIS HBy A 25 GLN H 1.0 . 5.50 1088 747 A 25 GLN HGy A 25 GLN H 1.0 . 3.26 1089 748 A 26 CYS HBx A 25 GLN H 1.0 . 4.36 1090 749 A 25 GLN HGx A 25 GLN H 1.0 . 3.55 1091 750 A 25 GLN H A 25 GLN HBy 1.0 . 3.96 1092 751 A 25 GLN H A 25 GLN HBx 1.0 . 3.96 1093 752 A 23 ALA HB% A 25 GLN H 1.0 . 4.61 1094 753 A 24 ALA HB% A 25 GLN H 1.0 . 3.28 1095 754 A 25 GLN H A 21 VAL HGx% 1.0 . 5.19 1096 754 A 21 VAL HGy% A 25 GLN H 1.0 . 5.19 1097 755 A 81 VAL HGy% A 25 GLN H 1.0 . 5.27 1098 756 A 26 CYS H A 25 GLN H 1.0 . 2.74 1099 757 A 26 CYS H A 24 ALA H 1.0 . 4.19 1100 758 A 23 ALA H A 26 CYS H 1.0 . 5.34 1101 759 A 26 CYS H A 27 ARG H 1.0 . 4.65 1102 760 A 26 CYS H A 24 ALA HA 1.0 . 4.33 1103 761 A 26 CYS H A 26 CYS HBx 1.0 . 3.00 1104 762 A 26 CYS H A 25 GLN HGx 1.0 . 4.39 1105 763 A 26 CYS H A 26 CYS HBy 1.0 . 3.03 1106 764 A 26 CYS H A 40 LYS HDy 1.0 . 5.26 1107 765 A 24 ALA HB% A 26 CYS H 1.0 . 4.48 1108 766 A 26 CYS HA A 27 ARG H 1.0 . 3.26 1109 767 A 27 ARG H A 27 ARG HDx 1.0 . 4.94 1110 767 A 27 ARG HDy A 27 ARG H 1.0 . 4.94 1111 768 A 26 CYS HBx A 27 ARG H 1.0 . 5.17 1112 769 A 27 ARG H A 27 ARG HBx 1.0 . 4.20 1113 769 A 27 ARG HBy A 27 ARG H 1.0 . 4.20 1114 770 A 26 CYS HBy A 27 ARG H 1.0 . 4.77 1115 771 A 27 ARG H A 27 ARG HGx 1.0 . 4.15 1116 771 A 27 ARG HGy A 27 ARG H 1.0 . 4.15 1117 772 A 27 ARG H A 28 ASN H 1.0 . 3.29 1118 773 A 28 ASN H A 29 ALA H 1.0 . 4.90 1119 774 A 28 ASN H A 27 ARG HA 1.0 . 3.56 1120 775 A 26 CYS HA A 28 ASN H 1.0 . 3.79 1121 776 A 28 ASN H A 28 ASN HBy 1.0 . 3.69 1122 777 A 28 ASN H A 28 ASN HBx 1.0 . 3.69 1123 778 A 26 CYS HBx A 28 ASN H 1.0 . 5.50 1124 779 A 28 ASN H A 27 ARG HBx 1.0 . 4.30 1125 779 A 27 ARG HBy A 28 ASN H 1.0 . 4.30 1126 780 A 26 CYS HBy A 28 ASN H 1.0 . 5.27 1127 781 A 28 ASN H A 27 ARG HGx 1.0 . 4.32 1128 781 A 27 ARG HGy A 28 ASN H 1.0 . 4.32 1129 782 A 29 ALA H A 28 ASN HA 1.0 . 3.37 1130 783 A 29 ALA H A 28 ASN HBy 1.0 . 4.94 1131 784 A 29 ALA H A 28 ASN HBx 1.0 . 4.94 1132 785 A 29 ALA HB% A 29 ALA H 1.0 . 3.41 1133 786 A 29 ALA H A 30 ASN H 1.0 . 3.70 1134 787 A 30 ASN H A 29 ALA HA 1.0 . 3.55 1135 788 A 30 ASN H A 30 ASN HBy 1.0 . 3.25 1136 789 A 30 ASN H A 30 ASN HBx 1.0 . 3.25 1137 790 A 29 ALA HB% A 30 ASN H 1.0 . 3.22 1138 791 A 31 CYS H A 30 ASN H 1.0 . 2.98 1139 792 A 31 CYS H A 30 ASN HA 1.0 . 3.57 1140 793 A 31 CYS H A 31 CYS HBx 1.0 . 2.56 1141 793 A 31 CYS H A 31 CYS HBy 1.0 . 2.56 1142 794 A 31 CYS H A 30 ASN HBx 1.0 . 4.07 1143 795 A 31 CYS H A 29 ALA HB% 1.0 . 5.01 1144 796 A 31 CYS H A 32 SER H 1.0 . 4.76 1145 797 A 32 SER H A 31 CYS HA 1.0 . 3.05 1146 798 A 32 SER H A 32 SER HBx 1.0 . 4.06 1147 799 A 32 SER H A 32 SER HBy 1.0 . 4.06 1148 800 A 32 SER H A 31 CYS HBx 1.0 . 4.34 1149 800 A 31 CYS HBy A 32 SER H 1.0 . 4.34 1150 801 A 32 SER H A 33 LEU H 1.0 . 4.09 1151 802 A 33 LEU H A 34 PRO HDy 1.0 . 5.05 1152 803 A 33 LEU H A 32 SER HBy 1.0 . 4.79 1153 804 A 33 LEU H A 32 SER HBx 1.0 . 4.79 1154 805 A 33 LEU H A 34 PRO HDx 1.0 . 5.05 1155 806 A 33 LEU H A 31 CYS HBx 1.0 . 5.42 1156 806 A 31 CYS HBy A 33 LEU H 1.0 . 5.42 1157 807 A 34 PRO HGy A 35 SER H 1.0 . 4.77 1158 808 A 35 SER H A 38 LYS HGx 1.0 . 5.27 1159 808 A 38 LYS HGy A 35 SER H 1.0 . 5.27 1160 809 A 36 CYS H A 37 GLN H 1.0 . 3.16 1161 810 A 35 SER H A 36 CYS H 1.0 . 3.93 1162 811 A 33 LEU H A 36 CYS H 1.0 . 4.56 1163 812 A 36 CYS H A 35 SER HBy 1.0 . 4.24 1164 813 A 36 CYS H A 35 SER HBx 1.0 . 4.24 1165 814 A 34 PRO HGy A 36 CYS H 1.0 . 4.85 1166 815 A 112 THR HA A 113 THR H 1.0 . 3.43 1167 816 A 112 THR HB A 113 THR H 1.0 . 4.44 1168 817 A 37 GLN H A 37 GLN HGy 1.0 . 3.67 1169 818 A 37 GLN H A 37 GLN HGx 1.0 . 3.67 1170 819 A 18 GLN HBx A 19 SER H 1.0 . 3.90 1171 820 A 39 MET H A 38 LYS H 1.0 . 3.21 1172 821 A 40 LYS H A 38 LYS H 1.0 . 4.50 1173 822 A 38 LYS H A 36 CYS H 1.0 . 4.49 1174 823 A 39 MET HA A 38 LYS H 1.0 . 5.38 1175 824 A 35 SER HA A 38 LYS H 1.0 . 3.90 1176 825 A 38 LYS H A 38 LYS HEx 1.0 . 5.36 1177 825 A 38 LYS HEy A 38 LYS H 1.0 . 5.36 1178 826 A 39 MET HGy A 38 LYS H 1.0 . 4.96 1179 827 A 38 LYS H A 37 GLN HGx 1.0 . 4.75 1180 828 A 38 LYS H A 39 MET HBy 1.0 . 4.84 1181 829 A 38 LYS H A 38 LYS HBx 1.0 . 2.97 1182 829 A 38 LYS H A 38 LYS HBy 1.0 . 2.97 1183 830 A 38 LYS HDx A 38 LYS H 1.0 . 5.06 1184 831 A 38 LYS H A 38 LYS HDy 1.0 . 4.22 1185 832 A 38 LYS H A 38 LYS HGx 1.0 . 4.00 1186 832 A 38 LYS HGy A 38 LYS H 1.0 . 4.00 1187 833 A 39 MET H A 40 LYS H 1.0 . 3.32 1188 834 A 39 MET H A 41 ARG H 1.0 . 4.57 1189 835 A 39 MET H A 40 LYS HA 1.0 . 5.19 1190 836 A 39 MET H A 38 LYS HEx 1.0 . 5.17 1191 836 A 39 MET H A 38 LYS HEy 1.0 . 5.17 1192 837 A 39 MET HGy A 39 MET H 1.0 . 3.60 1193 838 A 39 MET H A 39 MET HGx 1.0 . 3.98 1194 839 A 39 MET H A 39 MET HBy 1.0 . 3.29 1195 840 A 39 MET H A 39 MET HBx 1.0 . 3.62 1196 841 A 38 LYS HDx A 39 MET H 1.0 . 4.81 1197 842 A 39 MET H A 23 ALA HB% 1.0 . 3.95 1198 843 A 39 MET H A 38 LYS HGx 1.0 . 4.47 1199 843 A 38 LYS HGy A 39 MET H 1.0 . 4.47 1200 844 A 37 GLN HA A 40 LYS H 1.0 . 3.98 1201 845 A 39 MET HGy A 40 LYS H 1.0 . 4.80 1202 846 A 40 LYS H A 39 MET HBy 1.0 . 3.94 1203 847 A 40 LYS HDx A 40 LYS H 1.0 . 3.77 1204 848 A 40 LYS H A 40 LYS HGx 1.0 . 3.94 1205 848 A 40 LYS H A 40 LYS HGy 1.0 . 3.94 1206 849 A 40 LYS H A 43 VAL HGx% 1.0 . 4.72 1207 849 A 43 VAL HGy% A 40 LYS H 1.0 . 4.72 1208 850 A 40 LYS H A 40 LYS HDy 1.0 . 4.31 1209 851 A 41 ARG H A 43 VAL H 1.0 . 4.49 1210 852 A 41 ARG H A 40 LYS H 1.0 . 3.36 1211 853 A 41 ARG H A 39 MET HA 1.0 . 4.55 1212 854 A 41 ARG H A 38 LYS HA 1.0 . 3.98 1213 855 A 41 ARG H A 41 ARG HDx 1.0 . 4.26 1214 855 A 41 ARG H A 41 ARG HDy 1.0 . 4.26 1215 856 A 41 ARG HBy A 41 ARG H 1.0 . 3.00 1216 857 A 41 ARG H A 41 ARG HGx 1.0 . 3.71 1217 857 A 41 ARG H A 41 ARG HGy 1.0 . 3.71 1218 858 A 41 ARG H A 23 ALA HB% 1.0 . 4.97 1219 859 A 41 ARG H A 38 LYS HGx 1.0 . 5.43 1220 859 A 38 LYS HGy A 41 ARG H 1.0 . 5.43 1221 860 A 41 ARG H A 43 VAL HGx% 1.0 . 4.67 1222 860 A 43 VAL HGy% A 41 ARG H 1.0 . 4.67 1223 861 A 42 VAL H A 43 VAL H 1.0 . 3.33 1224 862 A 40 LYS H A 42 VAL H 1.0 . 4.69 1225 863 A 43 VAL HA A 42 VAL H 1.0 . 5.42 1226 864 A 42 VAL H A 41 ARG HDx 1.0 . 5.28 1227 864 A 42 VAL H A 41 ARG HDy 1.0 . 5.28 1228 865 A 42 VAL H A 42 VAL HB 1.0 . 3.59 1229 866 A 41 ARG HBy A 42 VAL H 1.0 . 3.70 1230 867 A 41 ARG HBx A 42 VAL H 1.0 . 3.80 1231 868 A 42 VAL H A 42 VAL HGy% 1.0 . 3.99 1232 869 A 41 ARG HA A 43 VAL H 1.0 . 4.75 1233 870 A 44 GLN HA A 43 VAL H 1.0 . 5.27 1234 871 A 43 VAL H A 40 LYS HA 1.0 . 3.98 1235 872 A 43 VAL HB A 43 VAL H 1.0 . 3.75 1236 873 A 46 THR HG2% A 43 VAL H 1.0 . 5.02 1237 874 A 23 ALA HB% A 43 VAL H 1.0 . 4.76 1238 875 A 42 VAL H A 44 GLN H 1.0 . 4.70 1239 876 A 41 ARG HA A 44 GLN H 1.0 . 3.96 1240 877 A 40 LYS HA A 44 GLN H 1.0 . 4.36 1241 878 A 44 GLN H A 44 GLN HGx 1.0 . 3.98 1242 878 A 44 GLN HGy A 44 GLN H 1.0 . 3.98 1243 879 A 44 GLN H A 44 GLN HBy 1.0 . 3.58 1244 880 A 41 ARG HBx A 44 GLN H 1.0 . 5.50 1245 881 A 46 THR HG2% A 44 GLN H 1.0 . 5.50 1246 882 A 44 GLN H A 47 LYS HDx 1.0 . 5.50 1247 882 A 47 LYS HDy A 44 GLN H 1.0 . 5.50 1248 883 A 44 GLN H A 43 VAL HGx% 1.0 . 3.57 1249 883 A 43 VAL HGy% A 44 GLN H 1.0 . 3.57 1250 884 A 118 TRP HBy A 118 TRP HE1 1.0 . 4.96 1251 885 A 13 ILE HA A 118 TRP HE1 1.0 . 5.50 1252 886 A 45 HIS H A 44 GLN H 1.0 . 3.34 1253 887 A 45 HIS H A 46 THR H 1.0 . 3.46 1254 888 A 45 HIS H A 45 HIS HBx 1.0 . 3.12 1255 889 A 45 HIS H A 42 VAL HA 1.0 . 3.93 1256 890 A 45 HIS H A 45 HIS HBy 1.0 . 3.24 1257 891 A 45 HIS H A 44 GLN HGx 1.0 . 4.31 1258 891 A 45 HIS H A 44 GLN HGy 1.0 . 4.31 1259 892 A 45 HIS H A 44 GLN HBy 1.0 . 4.17 1260 893 A 45 HIS H A 44 GLN HBx 1.0 . 4.17 1261 894 A 45 HIS H A 46 THR HG2% 1.0 . 4.37 1262 895 A 45 HIS H A 43 VAL HGx% 1.0 . 4.29 1263 895 A 43 VAL HGy% A 45 HIS H 1.0 . 4.29 1264 896 A 46 THR HB A 46 THR H 1.0 . 3.67 1265 897 A 43 VAL HA A 46 THR H 1.0 . 4.51 1266 898 A 45 HIS HBy A 46 THR H 1.0 . 4.28 1267 899 A 46 THR H A 47 LYS HBx 1.0 . 5.09 1268 899 A 47 LYS HBy A 46 THR H 1.0 . 5.09 1269 900 A 46 THR H A 63 LEU HDx% 1.0 . 4.69 1270 900 A 63 LEU HDy% A 46 THR H 1.0 . 4.69 1271 901 A 59 ILE HG2% A 46 THR H 1.0 . 5.13 1272 902 A 46 THR H A 47 LYS H 1.0 . 3.57 1273 903 A 45 HIS H A 47 LYS H 1.0 . 4.90 1274 904 A 49 CYS H A 47 LYS H 1.0 . 4.39 1275 905 A 46 THR HB A 47 LYS H 1.0 . 4.11 1276 906 A 44 GLN HA A 47 LYS H 1.0 . 3.88 1277 907 A 47 LYS H A 47 LYS HEx 1.0 . 5.01 1278 907 A 47 LYS HEy A 47 LYS H 1.0 . 5.01 1279 908 A 47 LYS H A 47 LYS HBx 1.0 . 2.93 1280 908 A 47 LYS HBy A 47 LYS H 1.0 . 2.93 1281 909 A 46 THR HG2% A 47 LYS H 1.0 . 4.14 1282 910 A 47 LYS H A 43 VAL HGx% 1.0 . 4.77 1283 910 A 43 VAL HGy% A 47 LYS H 1.0 . 4.77 1284 911 A 47 LYS H A 48 GLY H 1.0 . 3.44 1285 912 A 46 THR H A 48 GLY H 1.0 . 5.06 1286 913 A 48 GLY H A 45 HIS HA 1.0 . 4.42 1287 914 A 44 GLN HA A 48 GLY H 1.0 . 5.11 1288 915 A 48 GLY H A 49 CYS HA 1.0 . 5.42 1289 916 A 46 THR HA A 48 GLY H 1.0 . 4.63 1290 917 A 48 GLY H A 47 LYS HBx 1.0 . 3.57 1291 917 A 47 LYS HBy A 48 GLY H 1.0 . 3.57 1292 918 A 48 GLY H A 47 LYS HDx 1.0 . 4.92 1293 918 A 47 LYS HDy A 48 GLY H 1.0 . 4.92 1294 919 A 48 GLY H A 47 LYS HGx 1.0 . 5.13 1295 919 A 47 LYS HGy A 48 GLY H 1.0 . 5.13 1296 920 A 49 CYS H A 48 GLY H 1.0 . 3.24 1297 921 A 49 CYS H A 50 LYS H 1.0 . 4.98 1298 922 A 49 CYS H A 50 LYS HA 1.0 . 5.50 1299 923 A 49 CYS H A 47 LYS HA 1.0 . 4.50 1300 924 A 49 CYS H A 46 THR HA 1.0 . 3.88 1301 925 A 49 CYS H A 46 THR HG2% 1.0 . 5.50 1302 926 A 49 CYS H A 52 LYS HEx 1.0 . 5.50 1303 926 A 49 CYS H A 52 LYS HEy 1.0 . 5.50 1304 927 A 49 CYS H A 47 LYS HBx 1.0 . 4.88 1305 927 A 49 CYS H A 47 LYS HBy 1.0 . 4.88 1306 928 A 50 LYS H A 51 ARG H 1.0 . 4.39 1307 929 A 49 CYS HA A 51 ARG H 1.0 . 4.45 1308 930 A 51 ARG H A 51 ARG HDx 1.0 . 4.99 1309 930 A 51 ARG HDy A 51 ARG H 1.0 . 4.99 1310 931 A 51 ARG H A 50 LYS HDx 1.0 . 4.84 1311 931 A 50 LYS HDy A 51 ARG H 1.0 . 4.84 1312 932 A 52 LYS H A 51 ARG HGx 1.0 . 4.45 1313 932 A 51 ARG HGy A 52 LYS H 1.0 . 4.45 1314 933 A 52 LYS H A 51 ARG HBx 1.0 . 4.35 1315 933 A 51 ARG HBy A 52 LYS H 1.0 . 4.35 1316 934 A 52 LYS H A 50 LYS HDx 1.0 . 5.50 1317 934 A 50 LYS HDy A 52 LYS H 1.0 . 5.50 1318 935 A 52 LYS H A 52 LYS HGx 1.0 . 4.33 1319 935 A 52 LYS HGy A 52 LYS H 1.0 . 4.33 1320 936 A 52 LYS H A 53 THR H 1.0 . 4.79 1321 937 A 53 THR H A 52 LYS HBy 1.0 . 4.32 1322 938 A 53 THR H A 52 LYS HBx 1.0 . 4.32 1323 939 A 53 THR H A 52 LYS HGx 1.0 . 4.80 1324 939 A 52 LYS HGy A 53 THR H 1.0 . 4.80 1325 940 A 55 GLY H A 56 GLY H 1.0 . 4.18 1326 941 A 55 GLY H A 54 ASN HBx 1.0 . 4.63 1327 941 A 55 GLY H A 54 ASN HBy 1.0 . 4.63 1328 942 A 56 GLY H A 55 GLY HAx 1.0 . 3.18 1329 942 A 56 GLY H A 55 GLY HAy 1.0 . 3.18 1330 943 A 56 GLY H A 54 ASN HBx 1.0 . 5.50 1331 943 A 56 GLY H A 54 ASN HBy 1.0 . 5.50 1332 944 A 56 GLY H A 51 ARG HGx 1.0 . 4.86 1333 944 A 51 ARG HGy A 56 GLY H 1.0 . 4.86 1334 945 A 57 CYS H A 52 LYS H 1.0 . 5.35 1335 946 A 57 CYS H A 56 GLY H 1.0 . 4.69 1336 947 A 57 CYS H A 51 ARG HDx 1.0 . 4.86 1337 947 A 57 CYS H A 51 ARG HDy 1.0 . 4.86 1338 948 A 57 CYS H A 51 ARG HGx 1.0 . 4.28 1339 948 A 57 CYS H A 51 ARG HGy 1.0 . 4.28 1340 949 A 59 ILE H A 60 CYS H 1.0 . 3.25 1341 950 A 62 GLN H A 59 ILE H 1.0 . 4.98 1342 951 A 59 ILE H A 58 PRO HDx 1.0 . 3.64 1343 951 A 58 PRO HDy A 59 ILE H 1.0 . 3.64 1344 952 A 59 ILE H A 58 PRO HBx 1.0 . 4.60 1345 952 A 59 ILE H A 58 PRO HBy 1.0 . 4.60 1346 953 A 59 ILE H A 58 PRO HGy 1.0 . 4.20 1347 954 A 59 ILE H A 58 PRO HGx 1.0 . 4.20 1348 955 A 59 ILE HB A 59 ILE H 1.0 . 3.20 1349 956 A 59 ILE H A 59 ILE HG1x 1.0 . 3.87 1350 956 A 59 ILE HG1y A 59 ILE H 1.0 . 3.87 1351 957 A 59 ILE HB A 60 CYS H 1.0 . 3.37 1352 958 A 60 CYS H A 59 ILE HG1x 1.0 . 5.29 1353 958 A 59 ILE HG1y A 60 CYS H 1.0 . 5.29 1354 959 A 62 GLN H A 60 CYS H 1.0 . 5.32 1355 960 A 62 GLN H A 64 ILE H 1.0 . 4.98 1356 961 A 62 GLN H A 61 LYS HEx 1.0 . 5.50 1357 961 A 62 GLN H A 61 LYS HEy 1.0 . 5.50 1358 962 A 62 GLN H A 62 GLN HBx 1.0 . 3.81 1359 962 A 62 GLN H A 62 GLN HBy 1.0 . 3.81 1360 963 A 62 GLN H A 62 GLN HGx 1.0 . 3.27 1361 963 A 62 GLN HGy A 62 GLN H 1.0 . 3.27 1362 964 A 62 GLN H A 61 LYS HBy 1.0 . 4.07 1363 965 A 62 GLN H A 61 LYS HBx 1.0 . 4.07 1364 966 A 63 LEU H A 64 ILE H 1.0 . 3.56 1365 967 A 63 LEU H A 62 GLN H 1.0 . 3.39 1366 968 A 63 LEU H A 62 GLN HGx 1.0 . 4.26 1367 968 A 62 GLN HGy A 63 LEU H 1.0 . 4.26 1368 969 A 63 LEU H A 63 LEU HBx 1.0 . 3.10 1369 969 A 63 LEU H A 63 LEU HBy 1.0 . 3.10 1370 970 A 46 THR HG2% A 63 LEU H 1.0 . 4.84 1371 971 A 107 ARG H A 107 ARG HGx 1.0 . 4.99 1372 971 A 107 ARG HGy A 107 ARG H 1.0 . 4.99 1373 972 A 59 ILE HG2% A 63 LEU H 1.0 . 4.69 1374 973 A 107 ARG H A 106 GLY HAx 1.0 . 3.12 1375 973 A 107 ARG H A 106 GLY HAy 1.0 . 3.12 1376 974 A 88 LYS H A 87 ILE H 1.0 . 3.51 1377 975 A 66 LEU H A 64 ILE H 1.0 . 4.71 1378 976 A 64 ILE H A 65 ALA H 1.0 . 3.57 1379 977 A 88 LYS H A 86 ASN HA 1.0 . 5.06 1380 978 A 65 ALA HA A 64 ILE H 1.0 . 5.32 1381 979 A 88 LYS H A 85 LEU HA 1.0 . 4.06 1382 980 A 61 LYS HA A 64 ILE H 1.0 . 4.34 1383 981 A 88 LYS H A 88 LYS HDx 1.0 . 3.53 1384 981 A 88 LYS H A 88 LYS HDy 1.0 . 3.53 1385 982 A 64 ILE H A 64 ILE HG1x 1.0 . 3.60 1386 982 A 64 ILE HG1y A 64 ILE H 1.0 . 3.60 1387 983 A 64 ILE HG2% A 64 ILE H 1.0 . 3.91 1388 984 A 64 ILE H A 64 ILE HD1% 1.0 . 3.95 1389 985 A 65 ALA H A 63 LEU HBx 1.0 . 5.17 1390 985 A 63 LEU HBy A 65 ALA H 1.0 . 5.17 1391 986 A 65 ALA H A 66 LEU HBx 1.0 . 5.50 1392 986 A 66 LEU HBy A 65 ALA H 1.0 . 5.50 1393 987 A 64 ILE HB A 65 ALA H 1.0 . 4.03 1394 988 A 66 LEU H A 65 ALA H 1.0 . 3.62 1395 989 A 66 LEU H A 66 LEU HBx 1.0 . 3.44 1396 989 A 66 LEU H A 66 LEU HBy 1.0 . 3.44 1397 990 A 65 ALA HB% A 66 LEU H 1.0 . 3.43 1398 991 A 66 LEU H A 66 LEU HDx% 1.0 . 4.27 1399 992 A 66 LEU H A 67 ALA HA 1.0 . 5.17 1400 993 A 67 ALA H A 68 ALA H 1.0 . 3.60 1401 994 A 66 LEU H A 67 ALA H 1.0 . 3.53 1402 995 A 67 ALA H A 65 ALA H 1.0 . 4.85 1403 996 A 64 ILE HA A 67 ALA H 1.0 . 4.07 1404 997 A 67 ALA H A 66 LEU HBx 1.0 . 3.68 1405 997 A 67 ALA H A 66 LEU HBy 1.0 . 3.68 1406 998 A 65 ALA HB% A 67 ALA H 1.0 . 4.76 1407 999 A 67 ALA H A 68 ALA HB% 1.0 . 5.08 1408 1000 A 87 ILE HD1% A 67 ALA H 1.0 . 4.31 1409 1001 A 68 ALA H A 69 TYR H 1.0 . 3.66 1410 1002 A 66 LEU H A 68 ALA H 1.0 . 4.72 1411 1003 A 64 ILE HA A 68 ALA H 1.0 . 4.47 1412 1004 A 67 ALA HB% A 68 ALA H 1.0 . 3.51 1413 1005 A 68 ALA HB% A 68 ALA H 1.0 . 3.02 1414 1006 A 71 ALA H A 69 TYR H 1.0 . 5.09 1415 1007 A 69 TYR H A 69 TYR HD% 1.0 . 4.25 1416 1008 A 66 LEU HA A 69 TYR H 1.0 . 4.19 1417 1009 A 67 ALA HA A 69 TYR H 1.0 . 4.96 1418 1010 A 70 HIS HBy A 69 TYR H 1.0 . 5.50 1419 1011 A 67 ALA HB% A 69 TYR H 1.0 . 4.89 1420 1012 A 68 ALA HB% A 69 TYR H 1.0 . 3.61 1421 1013 A 87 ILE HD1% A 69 TYR H 1.0 . 4.93 1422 1014 A 71 ALA H A 70 HIS HBy 1.0 . 4.28 1423 1015 A 71 ALA H A 70 HIS HBx 1.0 . 4.33 1424 1016 A 71 ALA H A 87 ILE HG2% 1.0 . 5.50 1425 1017 A 71 ALA H A 72 LYS H 1.0 . 3.62 1426 1018 A 72 LYS H A 72 LYS HEx 1.0 . 4.74 1427 1018 A 72 LYS HEy A 72 LYS H 1.0 . 4.74 1428 1019 A 71 ALA HB% A 72 LYS H 1.0 . 3.05 1429 1020 A 72 LYS HBx A 72 LYS H 1.0 . 3.31 1430 1021 A 72 LYS HBy A 72 LYS H 1.0 . 3.73 1431 1022 A 72 LYS HGy A 72 LYS H 1.0 . 3.53 1432 1023 A 72 LYS HGx A 72 LYS H 1.0 . 3.86 1433 1024 A 70 HIS HA A 72 LYS H 1.0 . 4.91 1434 1025 A 71 ALA HA A 73 HIS H 1.0 . 4.31 1435 1026 A 73 HIS H A 70 HIS HA 1.0 . 4.61 1436 1027 A 73 HIS H A 74 CYS HA 1.0 . 4.75 1437 1028 A 73 HIS H A 73 HIS HBy 1.0 . 3.84 1438 1029 A 73 HIS H A 73 HIS HBx 1.0 . 3.84 1439 1030 A 74 CYS HBy A 73 HIS H 1.0 . 4.23 1440 1031 A 74 CYS HBx A 73 HIS H 1.0 . 4.99 1441 1032 A 71 ALA HB% A 73 HIS H 1.0 . 4.65 1442 1033 A 72 LYS HBy A 73 HIS H 1.0 . 4.53 1443 1034 A 72 LYS HGy A 73 HIS H 1.0 . 4.81 1444 1035 A 72 LYS HGx A 73 HIS H 1.0 . 4.90 1445 1036 A 74 CYS H A 73 HIS H 1.0 . 2.86 1446 1037 A 74 CYS H A 75 GLN H 1.0 . 4.76 1447 1038 A 72 LYS HA A 74 CYS H 1.0 . 4.72 1448 1039 A 74 CYS H A 73 HIS HBy 1.0 . 4.44 1449 1040 A 74 CYS H A 73 HIS HBx 1.0 . 4.44 1450 1041 A 74 CYS HBy A 74 CYS H 1.0 . 3.09 1451 1042 A 74 CYS HBx A 74 CYS H 1.0 . 3.12 1452 1043 A 71 ALA HB% A 74 CYS H 1.0 . 5.09 1453 1044 A 76 GLU HA A 75 GLN H 1.0 . 5.50 1454 1045 A 74 CYS HA A 75 GLN H 1.0 . 3.07 1455 1046 A 75 GLN H A 75 GLN HGx 1.0 . 4.07 1456 1046 A 75 GLN H A 75 GLN HGy 1.0 . 4.07 1457 1047 A 75 GLN H A 75 GLN HBx 1.0 . 3.66 1458 1047 A 75 GLN H A 75 GLN HBy 1.0 . 3.66 1459 1048 A 105 GLU H A 104 ILE H 1.0 . 3.53 1460 1049 A 75 GLN H A 76 GLU H 1.0 . 3.33 1461 1050 A 76 GLU H A 75 GLN HGx 1.0 . 3.98 1462 1050 A 75 GLN HGy A 76 GLU H 1.0 . 3.98 1463 1051 A 76 GLU H A 75 GLN HBx 1.0 . 3.20 1464 1051 A 75 GLN HBy A 76 GLU H 1.0 . 3.20 1465 1052 A 104 ILE H A 104 ILE HB 1.0 . 3.52 1466 1053 A 104 ILE H A 103 THR HG2% 1.0 . 4.27 1467 1054 A 104 ILE HG2% A 104 ILE H 1.0 . 3.94 1468 1055 A 77 ASN H A 78 LYS H 1.0 . 4.64 1469 1056 A 76 GLU HA A 77 ASN H 1.0 . 3.48 1470 1057 A 77 ASN H A 77 ASN HBx 1.0 . 3.93 1471 1057 A 77 ASN H A 77 ASN HBy 1.0 . 3.93 1472 1058 A 77 ASN H A 76 GLU HBy 1.0 . 5.05 1473 1059 A 77 ASN H A 76 GLU HBx 1.0 . 5.05 1474 1060 A 78 LYS H A 79 CYS H 1.0 . 3.76 1475 1061 A 78 LYS H A 78 LYS HEx 1.0 . 5.34 1476 1061 A 78 LYS HEy A 78 LYS H 1.0 . 5.34 1477 1062 A 78 LYS H A 77 ASN HBx 1.0 . 3.89 1478 1062 A 78 LYS H A 77 ASN HBy 1.0 . 3.89 1479 1063 A 78 LYS H A 78 LYS HBx 1.0 . 3.68 1480 1063 A 78 LYS HBy A 78 LYS H 1.0 . 3.68 1481 1064 A 78 LYS HA A 79 CYS H 1.0 . 3.42 1482 1065 A 79 CYS H A 78 LYS HBx 1.0 . 4.15 1483 1065 A 78 LYS HBy A 79 CYS H 1.0 . 4.15 1484 1066 A 79 CYS H A 85 LEU HDx% 1.0 . 3.85 1485 1066 A 85 LEU HDy% A 79 CYS H 1.0 . 3.85 1486 1067 A 81 VAL H A 80 PRO HDy 1.0 . 4.30 1487 1068 A 81 VAL H A 82 PRO HDy 1.0 . 5.04 1488 1069 A 81 VAL H A 80 PRO HDx 1.0 . 4.30 1489 1070 A 81 VAL H A 82 PRO HDx 1.0 . 5.04 1490 1071 A 84 CYS HBx A 81 VAL H 1.0 . 4.44 1491 1072 A 81 VAL HB A 81 VAL H 1.0 . 3.04 1492 1073 A 24 ALA HB% A 81 VAL H 1.0 . 5.24 1493 1074 A 81 VAL H A 85 LEU HDx% 1.0 . 5.21 1494 1074 A 85 LEU HDy% A 81 VAL H 1.0 . 5.21 1495 1075 A 81 VAL HGx% A 81 VAL H 1.0 . 3.81 1496 1076 A 81 VAL HGy% A 81 VAL H 1.0 . 3.02 1497 1077 A 83 PHE H A 82 PRO HBx 1.0 . 4.41 1498 1077 A 82 PRO HBy A 83 PHE H 1.0 . 4.41 1499 1078 A 83 PHE H A 84 CYS H 1.0 . 3.78 1500 1079 A 85 LEU H A 84 CYS H 1.0 . 3.64 1501 1080 A 81 VAL H A 84 CYS H 1.0 . 5.16 1502 1081 A 83 PHE HD% A 84 CYS H 1.0 . 5.26 1503 1082 A 83 PHE HBy A 84 CYS H 1.0 . 4.43 1504 1083 A 84 CYS HBx A 84 CYS H 1.0 . 3.24 1505 1084 A 84 CYS HBy A 84 CYS H 1.0 . 3.26 1506 1085 A 81 VAL HB A 84 CYS H 1.0 . 4.14 1507 1086 A 67 ALA HB% A 84 CYS H 1.0 . 4.03 1508 1087 A 84 CYS H A 85 LEU HDx% 1.0 . 4.97 1509 1087 A 85 LEU HDy% A 84 CYS H 1.0 . 4.97 1510 1088 A 81 VAL HGx% A 84 CYS H 1.0 . 3.84 1511 1089 A 81 VAL HGy% A 84 CYS H 1.0 . 5.01 1512 1090 A 88 LYS H A 85 LEU H 1.0 . 5.45 1513 1091 A 84 CYS HBx A 85 LEU H 1.0 . 3.48 1514 1092 A 84 CYS HBy A 85 LEU H 1.0 . 4.09 1515 1093 A 81 VAL HB A 85 LEU H 1.0 . 4.96 1516 1094 A 85 LEU H A 85 LEU HBx 1.0 . 2.98 1517 1094 A 85 LEU HBy A 85 LEU H 1.0 . 2.98 1518 1095 A 85 LEU HG A 85 LEU H 1.0 . 3.54 1519 1096 A 85 LEU H A 85 LEU HDx% 1.0 . 3.90 1520 1096 A 85 LEU HDy% A 85 LEU H 1.0 . 3.90 1521 1097 A 85 LEU H A 86 ASN H 1.0 . 3.42 1522 1098 A 87 ILE H A 86 ASN H 1.0 . 3.36 1523 1099 A 88 LYS H A 86 ASN H 1.0 . 4.48 1524 1100 A 89 GLN H A 86 ASN H 1.0 . 4.99 1525 1101 A 83 PHE H A 86 ASN H 1.0 . 4.96 1526 1102 A 83 PHE HA A 86 ASN H 1.0 . 4.03 1527 1103 A 83 PHE HBx A 86 ASN H 1.0 . 5.39 1528 1104 A 86 ASN H A 86 ASN HBx 1.0 . 3.23 1529 1104 A 86 ASN HBy A 86 ASN H 1.0 . 3.23 1530 1105 A 86 ASN H A 85 LEU HBx 1.0 . 3.70 1531 1105 A 85 LEU HBy A 86 ASN H 1.0 . 3.70 1532 1106 A 85 LEU HG A 86 ASN H 1.0 . 3.71 1533 1107 A 86 ASN H A 85 LEU HDx% 1.0 . 4.51 1534 1107 A 85 LEU HDy% A 86 ASN H 1.0 . 4.51 1535 1108 A 87 ILE HD1% A 86 ASN H 1.0 . 4.99 1536 1109 A 84 CYS HA A 87 ILE H 1.0 . 4.29 1537 1110 A 87 ILE H A 86 ASN HBx 1.0 . 3.86 1538 1110 A 86 ASN HBy A 87 ILE H 1.0 . 3.86 1539 1111 A 87 ILE H A 64 ILE HG1x 1.0 . 4.81 1540 1111 A 64 ILE HG1y A 87 ILE H 1.0 . 4.81 1541 1112 A 64 ILE HG2% A 87 ILE H 1.0 . 5.17 1542 1113 A 89 GLN H A 90 LYS H 1.0 . 3.42 1543 1114 A 88 LYS H A 89 GLN H 1.0 . 3.49 1544 1115 A 87 ILE H A 89 GLN H 1.0 . 4.56 1545 1116 A 89 GLN H A 89 GLN HGx 1.0 . 4.01 1546 1117 A 89 GLN H A 89 GLN HBx 1.0 . 2.99 1547 1117 A 89 GLN HBy A 89 GLN H 1.0 . 2.99 1548 1118 A 89 GLN H A 90 LYS HGx 1.0 . 4.30 1549 1118 A 90 LYS HGy A 89 GLN H 1.0 . 4.30 1550 1119 A 89 GLN H A 85 LEU HDx% 1.0 . 4.74 1551 1119 A 89 GLN H A 85 LEU HDy% 1.0 . 4.74 1552 1120 A 89 GLN H A 90 LYS HEx 1.0 . 4.80 1553 1120 A 90 LYS HEy A 89 GLN H 1.0 . 4.80 1554 1121 A 88 LYS H A 90 LYS H 1.0 . 5.12 1555 1122 A 86 ASN HA A 90 LYS H 1.0 . 4.82 1556 1123 A 90 LYS H A 87 ILE HA 1.0 . 4.15 1557 1124 A 88 LYS HA A 90 LYS H 1.0 . 4.47 1558 1125 A 90 LYS H A 89 GLN HBx 1.0 . 3.83 1559 1125 A 89 GLN HBy A 90 LYS H 1.0 . 3.83 1560 1126 A 90 LYS H A 90 LYS HBx 1.0 . 3.35 1561 1126 A 90 LYS H A 90 LYS HBy 1.0 . 3.35 1562 1127 A 90 LYS H A 90 LYS HDx 1.0 . 4.66 1563 1127 A 90 LYS H A 90 LYS HDy 1.0 . 4.66 1564 1128 A 90 LYS H A 90 LYS HGx 1.0 . 3.92 1565 1128 A 90 LYS HGy A 90 LYS H 1.0 . 3.92 1566 1129 A 90 LYS H A 91 GLY H 1.0 . 3.73 1567 1130 A 91 GLY H A 90 LYS HBx 1.0 . 4.31 1568 1130 A 90 LYS HBy A 91 GLY H 1.0 . 4.31 1569 1131 A 95 GLY H A 94 GLY HAx 1.0 . 3.03 1570 1131 A 94 GLY HAy A 95 GLY H 1.0 . 3.03 1571 1132 A 97 THR H A 97 THR HG2% 1.0 . 4.71 1572 1133 A 103 THR HB A 103 THR H 1.0 . 3.73 1573 1134 A 103 THR H A 102 GLY HAx 1.0 . 3.15 1574 1134 A 103 THR H A 102 GLY HAy 1.0 . 3.15 1575 1135 A 103 THR HG2% A 103 THR H 1.0 . 3.95 1576 1136 A 105 GLU H A 105 GLU HGx 1.0 . 3.55 1577 1136 A 105 GLU H A 105 GLU HGy 1.0 . 3.55 1578 1137 A 105 GLU H A 104 ILE HB 1.0 . 4.19 1579 1138 A 105 GLU H A 104 ILE HG1y 1.0 . 5.38 1580 1139 A 105 GLU H A 103 THR HG2% 1.0 . 5.05 1581 1140 A 105 GLU H A 104 ILE HG1x 1.0 . 5.38 1582 1141 A 105 GLU H A 104 ILE HG2% 1.0 . 3.78 1583 1142 A 105 GLU HA A 106 GLY H 1.0 . 3.02 1584 1143 A 106 GLY H A 105 GLU HGx 1.0 . 4.53 1585 1143 A 105 GLU HGy A 106 GLY H 1.0 . 4.53 1586 1144 A 107 ARG H A 108 GLY H 1.0 . 4.77 1587 1145 A 107 ARG HA A 108 GLY H 1.0 . 3.57 1588 1146 A 108 GLY H A 107 ARG HBy 1.0 . 4.92 1589 1147 A 108 GLY H A 107 ARG HBx 1.0 . 4.92 1590 1148 A 108 GLY H A 107 ARG HGx 1.0 . 5.20 1591 1148 A 107 ARG HGy A 108 GLY H 1.0 . 5.20 1592 1149 A 108 GLY H A 109 ASP H 1.0 . 4.01 1593 1150 A 109 ASP H A 108 GLY HAx 1.0 . 3.07 1594 1150 A 109 ASP H A 108 GLY HAy 1.0 . 3.07 1595 1151 A 109 ASP H A 109 ASP HBy 1.0 . 3.93 1596 1152 A 109 ASP H A 109 ASP HBx 1.0 . 3.93 1597 1153 A 109 ASP H A 110 GLY H 1.0 . 4.57 1598 1154 A 111 GLY H A 112 THR H 1.0 . 4.29 1599 1155 A 111 GLY H A 111 GLY HAx 1.0 . 2.92 1600 1155 A 111 GLY H A 111 GLY HAy 1.0 . 2.92 1601 1156 A 112 THR HB A 112 THR H 1.0 . 4.10 1602 1157 A 112 THR H A 111 GLY HAx 1.0 . 3.36 1603 1157 A 112 THR H A 111 GLY HAy 1.0 . 3.36 1604 1158 A 112 THR HG2% A 112 THR H 1.0 . 3.75 1605 1159 A 38 LYS H A 37 GLN H 1.0 . 3.25 1606 1160 A 113 THR HG2% A 113 THR H 1.0 . 3.99 1607 1161 A 125 SER H A 125 SER HBy 1.0 . 4.11 1608 1162 A 125 SER H A 125 SER HBx 1.0 . 4.11 1609 1163 A 115 GLU H A 114 PHE HBx 1.0 . 3.92 1610 1163 A 114 PHE HBy A 115 GLU H 1.0 . 3.92 1611 1164 A 115 GLU H A 115 GLU HGx 1.0 . 3.70 1612 1164 A 115 GLU HGy A 115 GLU H 1.0 . 3.70 1613 1165 A 112 THR HG2% A 115 GLU H 1.0 . 4.90 1614 1166 A 117 LEU H A 116 HIS HBx 1.0 . 4.01 1615 1166 A 116 HIS HBy A 117 LEU H 1.0 . 4.01 1616 1167 A 117 LEU H A 117 LEU HDy% 1.0 . 4.43 1617 1168 A 117 LEU H A 117 LEU HDx% 1.0 . 4.43 1618 1169 A 117 LEU H A 117 LEU HBx 1.0 . 3.91 1619 1170 A 117 LEU HG A 117 LEU H 1.0 . 4.28 1620 1171 A 117 LEU HBy A 117 LEU H 1.0 . 3.48 1621 1172 A 118 TRP HBy A 118 TRP H 1.0 . 4.05 1622 1173 A 118 TRP HBx A 118 TRP H 1.0 . 3.92 1623 1174 A 117 LEU HBy A 118 TRP H 1.0 . 4.45 1624 1175 A 118 TRP H A 117 LEU HDx% 1.0 . 5.43 1625 1176 A 118 TRP H A 121 LEU HDx% 1.0 . 5.50 1626 1176 A 121 LEU HDy% A 118 TRP H 1.0 . 5.50 1627 1177 A 118 TRP HD1 A 119 SER H 1.0 . 5.09 1628 1178 A 119 SER H A 119 SER HBy 1.0 . 3.90 1629 1179 A 119 SER H A 119 SER HBx 1.0 . 3.90 1630 1180 A 118 TRP HBy A 119 SER H 1.0 . 4.42 1631 1181 A 118 TRP HBx A 119 SER H 1.0 . 4.42 1632 1182 A 120 SER H A 121 LEU H 1.0 . 3.93 1633 1183 A 120 SER H A 121 LEU HBx 1.0 . 4.98 1634 1183 A 121 LEU HBy A 120 SER H 1.0 . 4.98 1635 1184 A 122 GLU H A 121 LEU H 1.0 . 4.75 1636 1185 A 121 LEU H A 121 LEU HBx 1.0 . 3.30 1637 1185 A 121 LEU HBy A 121 LEU H 1.0 . 3.30 1638 1186 A 121 LEU HG A 121 LEU H 1.0 . 4.54 1639 1187 A 121 LEU H A 121 LEU HDx% 1.0 . 4.17 1640 1187 A 121 LEU HDy% A 121 LEU H 1.0 . 4.17 1641 1188 A 121 LEU HA A 122 GLU H 1.0 . 3.16 1642 1189 A 122 GLU H A 123 PRO HDx 1.0 . 4.36 1643 1189 A 122 GLU H A 123 PRO HDy 1.0 . 4.36 1644 1190 A 122 GLU H A 121 LEU HBx 1.0 . 4.08 1645 1190 A 121 LEU HBy A 122 GLU H 1.0 . 4.08 1646 1191 A 121 LEU HG A 122 GLU H 1.0 . 4.08 1647 1192 A 124 ASP H A 123 PRO HDx 1.0 . 4.19 1648 1192 A 123 PRO HDy A 124 ASP H 1.0 . 4.19 1649 1193 A 124 ASP H A 124 ASP HBx 1.0 . 3.44 1650 1193 A 124 ASP H A 124 ASP HBy 1.0 . 3.44 1651 1194 A 124 ASP H A 123 PRO HBx 1.0 . 4.08 1652 1194 A 124 ASP H A 123 PRO HBy 1.0 . 4.08 1653 1195 A 125 SER H A 124 ASP H 1.0 . 3.73 1654 1196 A 125 SER H A 124 ASP HBx 1.0 . 4.10 1655 1196 A 125 SER H A 124 ASP HBy 1.0 . 4.10 1656 1197 A 126 THR H A 125 SER HA 1.0 . 3.30 1657 1198 A 126 THR HG2% A 126 THR H 1.0 . 3.55 1658 1199 A 126 THR H A 127 TYR H 1.0 . 3.59 1659 1200 A 126 THR HB A 127 TYR H 1.0 . 4.30 1660 1201 A 127 TYR H A 127 TYR HBx 1.0 . 3.32 1661 1202 A 126 THR HG2% A 127 TYR H 1.0 . 4.12 1662 1203 A 128 PHE HBx A 128 PHE H 1.0 . 3.89 1663 1204 A 127 TYR HBy A 128 PHE H 1.0 . 4.35 1664 1205 A 128 PHE H A 129 ASP H 1.0 . 4.57 1665 1206 A 130 LEU H A 129 ASP H 1.0 . 4.47 1666 1207 A 128 PHE HA A 129 ASP H 1.0 . 3.16 1667 1208 A 129 ASP H A 128 PHE HBy 1.0 . 4.05 1668 1209 A 128 PHE HBx A 129 ASP H 1.0 . 4.08 1669 1210 A 129 ASP H A 129 ASP HBy 1.0 . 3.59 1670 1211 A 129 ASP H A 129 ASP HBx 1.0 . 3.59 1671 1212 A 130 LEU H A 128 PHE HBx 1.0 . 5.40 1672 1213 A 130 LEU H A 129 ASP HBx 1.0 . 4.57 1673 1214 A 13 ILE HD1% A 69 TYR HE% 1.0 . 3.55 1674 1215 A 13 ILE HG2% A 69 TYR HE% 1.0 . 3.24 1675 1216 A 68 ALA HB% A 69 TYR HE% 1.0 . 4.03 1676 1217 A 112 THR HG2% A 69 TYR HE% 1.0 . 4.38 1677 1218 A 126 THR HG2% A 127 TYR HE% 1.0 . 3.80 1678 1219 A 113 THR HG2% A 116 HIS HD2 1.0 . 3.85 1679 1220 A 65 ALA HB% A 118 TRP HZ3 1.0 . 4.56 1680 1221 A 118 TRP HH2 A 66 LEU HDy% 1.0 . 4.05 1681 1222 A 45 HIS HD2 A 59 ILE HG2% 1.0 . 3.26 1682 1223 A 45 HIS HD2 A 46 THR HG2% 1.0 . 3.22 1683 1224 A 45 HIS HD2 A 63 LEU HDx% 1.0 . 5.28 1684 1224 A 45 HIS HD2 A 63 LEU HDy% 1.0 . 5.28 1685 1225 A 45 HIS HD2 A 49 CYS HBy 1.0 . 5.37 1686 1226 A 46 THR HG2% A 83 PHE HE% 1.0 . 3.81 1687 1227 A 83 PHE HE% A 63 LEU HDx% 1.0 . 3.09 1688 1227 A 63 LEU HDy% A 83 PHE HE% 1.0 . 3.09 1689 1228 A 83 PHE HE% A 64 ILE HB 1.0 . 4.72 1690 1229 A 83 PHE HE% A 64 ILE HG1x 1.0 . 4.47 1691 1229 A 64 ILE HG1y A 83 PHE HE% 1.0 . 4.47 1692 1230 A 59 ILE HG2% A 128 PHE HE% 1.0 . 4.19 1693 1231 A 128 PHE HE% A 42 VAL HGx% 1.0 . 3.81 1694 1232 A 128 PHE HE% A 63 LEU HDx% 1.0 . 3.69 1695 1232 A 63 LEU HDy% A 128 PHE HE% 1.0 . 3.69 1696 1233 A 128 PHE HE% A 66 LEU HDy% 1.0 . 4.34 1697 1234 A 112 THR HG2% A 114 PHE HE% 1.0 . 4.07 1698 1235 A 13 ILE HG2% A 114 PHE HE% 1.0 . 4.29 1699 1236 A 59 ILE HG2% A 128 PHE HD% 1.0 . 4.28 1700 1237 A 69 TYR HD% A 72 LYS HDx 1.0 . 5.03 1701 1237 A 72 LYS HDy A 69 TYR HD% 1.0 . 5.03 1702 1238 A 69 TYR HD% A 72 LYS HEx 1.0 . 3.97 1703 1238 A 72 LYS HEy A 69 TYR HD% 1.0 . 3.97 1704 1239 A 13 ILE HD1% A 69 TYR HD% 1.0 . 4.50 1705 1240 A 127 TYR HD% A 121 LEU HDx% 1.0 . 4.56 1706 1240 A 127 TYR HD% A 121 LEU HDy% 1.0 . 4.56 1707 1241 A 67 ALA HB% A 83 PHE HD% 1.0 . 3.67 1708 1242 A 71 ALA HB% A 70 HIS HD2 1.0 . 3.70 1709 1243 A 83 PHE HD% A 64 ILE HG1x 1.0 . 4.10 1710 1243 A 64 ILE HG1y A 83 PHE HD% 1.0 . 4.10 1711 1244 A 127 TYR HD% A 128 PHE HE% 1.0 . 4.09 1712 1245 A 112 THR HA A 114 PHE HE% 1.0 . 4.22 1713 1246 A 115 GLU H A 114 PHE HE% 1.0 . 4.42 1714 1247 A 128 PHE H A 128 PHE HD% 1.0 . 3.76 1715 1248 A 129 ASP H A 128 PHE HD% 1.0 . 3.74 1716 1249 A 13 ILE HG2% A 114 PHE HZ 1.0 . 4.38 1717 1250 A 112 THR HG2% A 114 PHE HZ 1.0 . 4.54 1718 1251 A 112 THR HB A 114 PHE HZ 1.0 . 5.14 1719 1252 A 66 LEU HA A 114 PHE HZ 1.0 . 4.60 1720 1253 A 128 PHE HZ A 63 LEU HDx% 1.0 . 3.75 1721 1253 A 63 LEU HDy% A 128 PHE HZ 1.0 . 3.75 1722 1254 A 16 ALA HB% A 128 PHE HZ 1.0 . 5.36 1723 1255 A 20 LEU HG A 128 PHE HZ 1.0 . 5.50 1724 1256 A 39 MET HE% A 128 PHE HZ 1.0 . 4.35 1725 1257 A 128 PHE HZ A 66 LEU HBx 1.0 . 4.58 1726 1257 A 66 LEU HBy A 128 PHE HZ 1.0 . 4.58 1727 1258 A 127 TYR HD% A 59 ILE HD1% 1.0 . 4.35 1728 1259 A 59 ILE HD1% A 127 TYR HE% 1.0 . 4.18 1729 1260 A 127 TYR HE% A 59 ILE HG1x 1.0 . 3.87 1730 1260 A 59 ILE HG1y A 127 TYR HE% 1.0 . 3.87 1731 1261 A 127 TYR HE% A 121 LEU HDx% 1.0 . 3.67 1732 1261 A 121 LEU HDy% A 127 TYR HE% 1.0 . 3.67 1733 1262 A 13 ILE HG2% A 118 TRP HZ2 1.0 . 4.65 1734 1263 A 66 LEU HA A 118 TRP HZ2 1.0 . 4.39 1735 1264 A 65 ALA HB% A 118 TRP HZ2 1.0 . 3.90 1736 1265 A 127 TYR H A 127 TYR HE% 1.0 . 4.06 1737 1266 A 125 SER H A 127 TYR HE% 1.0 . 5.25 1738 1267 A 122 GLU H A 127 TYR HE% 1.0 . 4.99 1739 1268 A 126 THR H A 127 TYR HE% 1.0 . 5.25 1740 1269 A 59 ILE HA A 127 TYR HE% 1.0 . 4.00 1741 1270 A 128 PHE HBx A 127 TYR HE% 1.0 . 4.90 1742 1271 A 127 TYR HE% A 62 GLN HBx 1.0 . 4.67 1743 1271 A 62 GLN HBy A 127 TYR HE% 1.0 . 4.67 1744 1272 A 121 LEU HG A 127 TYR HE% 1.0 . 4.14 1745 1273 A 17 ILE HD1% A 69 TYR HE% 1.0 . 3.94 1746 1274 A 13 ILE HB A 69 TYR HE% 1.0 . 4.90 1747 1275 A 69 TYR HE% A 72 LYS HEx 1.0 . 4.39 1748 1275 A 72 LYS HEy A 69 TYR HE% 1.0 . 4.39 1749 1276 A 112 THR HA A 69 TYR HE% 1.0 . 5.03 1750 1277 A 69 TYR H A 69 TYR HE% 1.0 . 5.02 1751 1278 A 116 HIS HD2 A 117 LEU H 1.0 . 4.30 1752 1279 A 116 HIS HD2 A 114 PHE H 1.0 . 4.50 1753 1280 A 116 HIS HD2 A 116 HIS HBx 1.0 . 3.01 1754 1280 A 116 HIS HBy A 116 HIS HD2 1.0 . 3.01 1755 1281 A 116 HIS HD2 A 117 LEU HBy 1.0 . 5.15 1756 1282 A 116 HIS HD2 A 117 LEU HG 1.0 . 5.29 1757 1283 A 118 TRP H A 118 TRP HE3 1.0 . 4.52 1758 1284 A 118 TRP HA A 118 TRP HE3 1.0 . 3.26 1759 1285 A 118 TRP HBx A 118 TRP HE3 1.0 . 3.42 1760 1286 A 118 TRP HE3 A 121 LEU HBx 1.0 . 4.13 1761 1286 A 121 LEU HBy A 118 TRP HE3 1.0 . 4.13 1762 1287 A 117 LEU HBx A 118 TRP HE3 1.0 . 5.08 1763 1288 A 118 TRP HE3 A 121 LEU HDx% 1.0 . 3.56 1764 1288 A 121 LEU HDy% A 118 TRP HE3 1.0 . 3.56 1765 1289 A 73 HIS HD2 A 72 LYS HDx 1.0 . 3.86 1766 1289 A 73 HIS HD2 A 72 LYS HDy 1.0 . 3.86 1767 1290 A 73 HIS HD2 A 72 LYS HBy 1.0 . 4.24 1768 1291 A 72 LYS HGx A 73 HIS HD2 1.0 . 4.33 1769 1292 A 72 LYS HGy A 73 HIS HD2 1.0 . 5.02 1770 1293 A 118 TRP HBx A 118 TRP HZ3 1.0 . 5.50 1771 1294 A 118 TRP HZ3 A 62 GLN HGx 1.0 . 4.53 1772 1294 A 62 GLN HGy A 118 TRP HZ3 1.0 . 4.53 1773 1295 A 118 TRP HZ3 A 121 LEU HDx% 1.0 . 3.68 1774 1295 A 121 LEU HDy% A 118 TRP HZ3 1.0 . 3.68 1775 1296 A 66 LEU HA A 118 TRP HH2 1.0 . 4.92 1776 1297 A 65 ALA HB% A 118 TRP HH2 1.0 . 3.71 1777 1298 A 118 TRP HH2 A 66 LEU HDx% 1.0 . 4.05 1778 1299 A 118 TRP HD1 A 118 TRP H 1.0 . 3.43 1779 1300 A 118 TRP HBy A 118 TRP HD1 1.0 . 3.22 1780 1301 A 118 TRP HBx A 118 TRP HD1 1.0 . 3.64 1781 1302 A 45 HIS HD2 A 46 THR H 1.0 . 3.87 1782 1303 A 45 HIS HD2 A 45 HIS H 1.0 . 5.15 1783 1304 A 45 HIS HD2 A 60 CYS H 1.0 . 4.52 1784 1305 A 45 HIS HD2 A 46 THR HA 1.0 . 3.54 1785 1306 A 45 HIS HD2 A 45 HIS HBx 1.0 . 3.44 1786 1307 A 45 HIS HD2 A 49 CYS HBx 1.0 . 5.37 1787 1308 A 45 HIS HD2 A 59 ILE HB 1.0 . 3.97 1788 1309 A 45 HIS HD2 A 59 ILE HD1% 1.0 . 4.39 1789 1310 A 83 PHE HD% A 83 PHE HZ 1.0 . 3.93 1790 1311 A 46 THR HB A 83 PHE HZ 1.0 . 3.90 1791 1312 A 83 PHE HZ A 52 LYS HEx 1.0 . 4.18 1792 1312 A 52 LYS HEy A 83 PHE HZ 1.0 . 4.18 1793 1313 A 46 THR HG2% A 83 PHE HZ 1.0 . 4.03 1794 1314 A 83 PHE HZ A 63 LEU HDx% 1.0 . 3.95 1795 1314 A 63 LEU HDy% A 83 PHE HZ 1.0 . 3.95 1796 1315 A 64 ILE HD1% A 83 PHE HZ 1.0 . 4.12 1797 1316 A 84 CYS HBy A 70 HIS HD2 1.0 . 2.94 1798 1317 A 19 SER HA A 22 HIS HD2 1.0 . 4.09 1799 1318 A 83 PHE HE% A 64 ILE H 1.0 . 4.27 1800 1319 A 46 THR HB A 83 PHE HE% 1.0 . 3.76 1801 1320 A 64 ILE HA A 83 PHE HE% 1.0 . 5.14 1802 1321 A 83 PHE HE% A 52 LYS HEx 1.0 . 3.94 1803 1321 A 52 LYS HEy A 83 PHE HE% 1.0 . 3.94 1804 1322 A 63 LEU HG A 83 PHE HE% 1.0 . 4.29 1805 1323 A 83 PHE HE% A 63 LEU HBx 1.0 . 3.24 1806 1323 A 83 PHE HE% A 63 LEU HBy 1.0 . 3.24 1807 1324 A 83 PHE HE% A 64 ILE HD1% 1.0 . 3.69 1808 1325 A 129 ASP H A 128 PHE HE% 1.0 . 5.08 1809 1326 A 127 TYR HE% A 128 PHE HE% 1.0 . 4.46 1810 1327 A 128 PHE HA A 128 PHE HE% 1.0 . 4.61 1811 1328 A 39 MET HE% A 128 PHE HE% 1.0 . 3.84 1812 1329 A 128 PHE HE% A 66 LEU HBx 1.0 . 4.29 1813 1329 A 66 LEU HBy A 128 PHE HE% 1.0 . 4.29 1814 1330 A 16 ALA HB% A 128 PHE HE% 1.0 . 3.99 1815 1331 A 20 LEU HG A 128 PHE HE% 1.0 . 4.47 1816 1332 A 128 PHE HE% A 42 VAL HGy% 1.0 . 3.81 1817 1333 A 128 PHE HE% A 66 LEU HDx% 1.0 . 4.34 1818 1334 A 112 THR HB A 114 PHE HE% 1.0 . 4.21 1819 1335 A 66 LEU HA A 114 PHE HE% 1.0 . 4.30 1820 1336 A 13 ILE HB A 114 PHE HE% 1.0 . 5.29 1821 1337 A 65 ALA HB% A 114 PHE HE% 1.0 . 3.71 1822 1338 A 13 ILE HD1% A 114 PHE HE% 1.0 . 3.94 1823 1339 A 114 PHE HD% A 114 PHE H 1.0 . 3.57 1824 1340 A 114 PHE HD% A 115 GLU H 1.0 . 4.01 1825 1341 A 83 PHE H A 83 PHE HD% 1.0 . 3.69 1826 1342 A 127 TYR HE% A 128 PHE HD% 1.0 . 4.34 1827 1343 A 128 PHE HA A 128 PHE HD% 1.0 . 3.02 1828 1344 A 127 TYR HBy A 128 PHE HD% 1.0 . 4.05 1829 1345 A 39 MET HE% A 128 PHE HD% 1.0 . 4.08 1830 1346 A 16 ALA HB% A 128 PHE HD% 1.0 . 4.74 1831 1347 A 59 ILE HD1% A 128 PHE HD% 1.0 . 5.50 1832 1348 A 114 PHE HD% A 112 THR H 1.0 . 5.50 1833 1349 A 114 PHE HD% A 112 THR HA 1.0 . 3.06 1834 1350 A 114 PHE HD% A 115 GLU HGx 1.0 . 4.86 1835 1350 A 114 PHE HD% A 115 GLU HGy 1.0 . 4.86 1836 1351 A 65 ALA HB% A 114 PHE HD% 1.0 . 4.23 1837 1352 A 114 PHE HD% A 117 LEU HBy 1.0 . 4.74 1838 1353 A 114 PHE HD% A 117 LEU HDx% 1.0 . 4.11 1839 1354 A 114 PHE HD% A 13 ILE HD1% 1.0 . 4.38 1840 1355 A 83 PHE HA A 83 PHE HD% 1.0 . 3.06 1841 1356 A 82 PRO HA A 83 PHE HD% 1.0 . 4.99 1842 1357 A 64 ILE HA A 83 PHE HD% 1.0 . 3.12 1843 1358 A 83 PHE HD% A 86 ASN HBx 1.0 . 4.28 1844 1358 A 86 ASN HBy A 83 PHE HD% 1.0 . 4.28 1845 1359 A 63 LEU HG A 83 PHE HD% 1.0 . 3.66 1846 1360 A 83 PHE HD% A 63 LEU HBx 1.0 . 3.30 1847 1360 A 63 LEU HBy A 83 PHE HD% 1.0 . 3.30 1848 1361 A 83 PHE HD% A 82 PRO HBx 1.0 . 2.97 1849 1361 A 82 PRO HBy A 83 PHE HD% 1.0 . 2.97 1850 1362 A 83 PHE HD% A 63 LEU HDx% 1.0 . 3.35 1851 1362 A 63 LEU HDy% A 83 PHE HD% 1.0 . 3.35 1852 1363 A 87 ILE HD1% A 83 PHE HD% 1.0 . 3.99 1853 1364 A 64 ILE HD1% A 83 PHE HD% 1.0 . 3.59 1854 1365 A 127 TYR HD% A 127 TYR H 1.0 . 3.15 1855 1366 A 127 TYR HD% A 126 THR H 1.0 . 4.18 1856 1367 A 127 TYR HD% A 128 PHE HA 1.0 . 4.32 1857 1368 A 127 TYR HD% A 126 THR HB 1.0 . 4.80 1858 1369 A 59 ILE HA A 127 TYR HD% 1.0 . 5.04 1859 1370 A 127 TYR HD% A 126 THR HG2% 1.0 . 3.73 1860 1371 A 127 TYR HD% A 128 PHE HD% 1.0 . 3.83 1861 1372 A 68 ALA HB% A 69 TYR HD% 1.0 . 3.51 1862 1373 A 69 TYR HD% A 17 ILE HG1x 1.0 . 4.08 1863 1373 A 17 ILE HG1y A 69 TYR HD% 1.0 . 4.08 1864 1374 A 17 ILE HG2% A 69 TYR HD% 1.0 . 4.34 1865 1375 A 17 ILE HD1% A 69 TYR HD% 1.0 . 3.00 1866 1376 A 13 ILE HG2% A 69 TYR HD% 1.0 . 3.09 1867 1377 A 73 HIS HE1 A 72 LYS HEx 1.0 . 4.00 1868 1377 A 72 LYS HEy A 73 HIS HE1 1.0 . 4.00 1869 1378 A 73 HIS HE1 A 72 LYS HDx 1.0 . 4.49 1870 1378 A 72 LYS HDy A 73 HIS HE1 1.0 . 4.49 1871 1379 A 72 LYS HGy A 73 HIS HE1 1.0 . 5.24 1872 1380 A 72 LYS HGx A 73 HIS HE1 1.0 . 4.48 1873 1381 A 116 HIS HE1 A 116 HIS HBx 1.0 . 4.48 1874 1381 A 116 HIS HBy A 116 HIS HE1 1.0 . 4.48 1875 1382 A 22 HIS HA A 22 HIS HE1 1.0 . 5.22 1876 1383 A 26 CYS HA A 22 HIS HE1 1.0 . 3.97 1877 1384 A 22 HIS HE1 A 22 HIS HBx 1.0 . 4.71 1878 1384 A 22 HIS HBy A 22 HIS HE1 1.0 . 4.71 1879 1385 A 26 CYS HBx A 22 HIS HE1 1.0 . 4.71 1880 1386 A 26 CYS HBy A 22 HIS HE1 1.0 . 3.53 1881 1387 A 45 HIS HE1 A 45 HIS HA 1.0 . 5.23 1882 1388 A 70 HIS HE1 A 74 CYS HA 1.0 . 4.43 1883 1389 A 70 HIS HBy A 70 HIS HE1 1.0 . 4.98 1884 1390 A 74 CYS HBy A 70 HIS HE1 1.0 . 3.71 1885 1391 A 70 HIS HE1 A 21 VAL HGx% 1.0 . 3.46 1886 1391 A 21 VAL HGy% A 70 HIS HE1 1.0 . 3.46 1887 1392 A 45 HIS HBy A 45 HIS HE1 1.0 . 4.81 1888 1393 A 3 GLN H A 3 GLN HBy 1.0 . 3.64 1889 1393 A 3 GLN H A 3 GLN HBx 1.0 . 3.64 1890 1394 A 9 ARG H A 9 ARG HGx 1.0 . 3.68 1891 1394 A 9 ARG H A 9 ARG HGy 1.0 . 3.68 1892 1395 A 9 ARG HA A 9 ARG HGx 1.0 . 3.41 1893 1395 A 9 ARG HA A 9 ARG HGy 1.0 . 3.41 1894 1396 A 13 ILE HD1% A 9 ARG HGx 1.0 . 5.09 1895 1396 A 13 ILE HD1% A 9 ARG HGy 1.0 . 5.09 1896 1397 A 11 LEU HBx A 12 SER HBx 1.0 . 4.46 1897 1397 A 11 LEU HBy A 12 SER HBx 1.0 . 4.46 1898 1397 A 12 SER HBy A 11 LEU HBx 1.0 . 4.46 1899 1397 A 11 LEU HBy A 12 SER HBy 1.0 . 4.46 1900 1398 A 12 SER H A 12 SER HBx 1.0 . 3.09 1901 1398 A 12 SER H A 12 SER HBy 1.0 . 3.09 1902 1399 A 12 SER HA A 12 SER HBx 1.0 . 2.58 1903 1399 A 12 SER HA A 12 SER HBy 1.0 . 2.58 1904 1400 A 13 ILE H A 12 SER HBx 1.0 . 3.41 1905 1400 A 13 ILE H A 12 SER HBy 1.0 . 3.41 1906 1401 A 13 ILE HG1y A 12 SER HBx 1.0 . 5.04 1907 1401 A 13 ILE HG1y A 12 SER HBy 1.0 . 5.04 1908 1402 A 13 ILE HG2% A 66 LEU HDy% 1.0 . 2.92 1909 1402 A 13 ILE HG2% A 66 LEU HDx% 1.0 . 2.92 1910 1403 A 16 ALA H A 66 LEU HDy% 1.0 . 5.44 1911 1403 A 16 ALA H A 66 LEU HDx% 1.0 . 5.44 1912 1404 A 16 ALA HB% A 66 LEU HDy% 1.0 . 2.81 1913 1404 A 16 ALA HB% A 66 LEU HDx% 1.0 . 2.81 1914 1405 A 17 ILE HA A 20 LEU HDy% 1.0 . 3.90 1915 1405 A 17 ILE HA A 20 LEU HDx% 1.0 . 3.90 1916 1406 A 17 ILE HB A 66 LEU HDy% 1.0 . 4.41 1917 1406 A 17 ILE HB A 66 LEU HDx% 1.0 . 4.41 1918 1407 A 17 ILE HG2% A 18 GLN HGx 1.0 . 4.05 1919 1407 A 17 ILE HG2% A 18 GLN HGy 1.0 . 4.05 1920 1408 A 18 GLN H A 18 GLN HGx 1.0 . 3.13 1921 1408 A 18 GLN H A 18 GLN HGy 1.0 . 3.13 1922 1409 A 20 LEU H A 20 LEU HDy% 1.0 . 4.17 1923 1409 A 20 LEU H A 20 LEU HDx% 1.0 . 4.17 1924 1410 A 20 LEU HA A 20 LEU HDy% 1.0 . 2.84 1925 1410 A 20 LEU HA A 20 LEU HDx% 1.0 . 2.84 1926 1411 A 20 LEU HBy A 66 LEU HDy% 1.0 . 4.05 1927 1411 A 20 LEU HBy A 66 LEU HDx% 1.0 . 4.05 1928 1412 A 20 LEU HBx A 20 LEU HDy% 1.0 . 2.78 1929 1412 A 20 LEU HBx A 20 LEU HDx% 1.0 . 2.78 1930 1413 A 21 VAL H A 20 LEU HDy% 1.0 . 4.32 1931 1413 A 21 VAL H A 20 LEU HDx% 1.0 . 4.32 1932 1414 A 24 ALA HB% A 20 LEU HDy% 1.0 . 3.99 1933 1414 A 24 ALA HB% A 20 LEU HDx% 1.0 . 3.99 1934 1415 A 39 MET HE% A 20 LEU HDy% 1.0 . 3.19 1935 1415 A 39 MET HE% A 20 LEU HDx% 1.0 . 3.19 1936 1416 A 20 LEU HDx% A 63 LEU HDx% 1.0 . 2.74 1937 1416 A 20 LEU HDy% A 63 LEU HDx% 1.0 . 2.74 1938 1416 A 63 LEU HDy% A 20 LEU HDy% 1.0 . 2.74 1939 1416 A 63 LEU HDy% A 20 LEU HDx% 1.0 . 2.74 1940 1417 A 66 LEU H A 20 LEU HDy% 1.0 . 4.84 1941 1417 A 66 LEU H A 20 LEU HDx% 1.0 . 4.84 1942 1418 A 20 LEU HDy% A 66 LEU HBx 1.0 . 3.38 1943 1418 A 20 LEU HDx% A 66 LEU HBx 1.0 . 3.38 1944 1418 A 66 LEU HBy A 20 LEU HDy% 1.0 . 3.38 1945 1418 A 66 LEU HBy A 20 LEU HDx% 1.0 . 3.38 1946 1419 A 67 ALA H A 20 LEU HDy% 1.0 . 4.15 1947 1419 A 67 ALA H A 20 LEU HDx% 1.0 . 4.15 1948 1420 A 67 ALA HA A 20 LEU HDy% 1.0 . 4.69 1949 1420 A 67 ALA HA A 20 LEU HDx% 1.0 . 4.69 1950 1421 A 128 PHE HE% A 20 LEU HDy% 1.0 . 4.92 1951 1421 A 128 PHE HE% A 20 LEU HDx% 1.0 . 4.92 1952 1422 A 21 VAL HGy% A 80 PRO HGy 1.0 . 4.74 1953 1422 A 80 PRO HGx A 21 VAL HGx% 1.0 . 4.74 1954 1422 A 21 VAL HGy% A 80 PRO HGx 1.0 . 4.74 1955 1422 A 21 VAL HGx% A 80 PRO HGy 1.0 . 4.74 1956 1423 A 21 VAL HGy% A 80 PRO HDy 1.0 . 5.35 1957 1423 A 21 VAL HGx% A 80 PRO HDy 1.0 . 5.35 1958 1423 A 80 PRO HDx A 21 VAL HGx% 1.0 . 5.35 1959 1423 A 21 VAL HGy% A 80 PRO HDx 1.0 . 5.35 1960 1424 A 23 ALA HA A 40 LYS HEy 1.0 . 3.94 1961 1424 A 23 ALA HA A 40 LYS HEx 1.0 . 3.94 1962 1425 A 24 ALA HB% A 25 GLN HBx 1.0 . 4.95 1963 1425 A 24 ALA HB% A 25 GLN HBy 1.0 . 4.95 1964 1426 A 24 ALA HB% A 82 PRO HDy 1.0 . 3.55 1965 1426 A 24 ALA HB% A 82 PRO HDx 1.0 . 3.55 1966 1427 A 25 GLN H A 25 GLN HBx 1.0 . 3.17 1967 1427 A 25 GLN H A 25 GLN HBy 1.0 . 3.17 1968 1428 A 26 CYS H A 40 LYS HEy 1.0 . 4.66 1969 1428 A 26 CYS H A 40 LYS HEx 1.0 . 4.66 1970 1429 A 26 CYS HA A 40 LYS HEy 1.0 . 5.25 1971 1429 A 26 CYS HA A 40 LYS HEx 1.0 . 5.25 1972 1430 A 26 CYS HBy A 40 LYS HEy 1.0 . 4.31 1973 1430 A 26 CYS HBy A 40 LYS HEx 1.0 . 4.31 1974 1431 A 27 ARG H A 28 ASN HBx 1.0 . 4.85 1975 1431 A 27 ARG H A 28 ASN HBy 1.0 . 4.85 1976 1432 A 28 ASN H A 28 ASN HBx 1.0 . 2.86 1977 1432 A 28 ASN H A 28 ASN HBy 1.0 . 2.86 1978 1433 A 29 ALA HB% A 30 ASN HBx 1.0 . 4.69 1979 1433 A 29 ALA HB% A 30 ASN HBy 1.0 . 4.69 1980 1434 A 30 ASN H A 30 ASN HBx 1.0 . 2.77 1981 1434 A 30 ASN H A 30 ASN HBy 1.0 . 2.77 1982 1435 A 33 LEU H A 32 SER HBx 1.0 . 4.13 1983 1435 A 33 LEU H A 32 SER HBy 1.0 . 4.13 1984 1436 A 33 LEU H A 34 PRO HDy 1.0 . 4.42 1985 1436 A 33 LEU H A 34 PRO HDx 1.0 . 4.42 1986 1437 A 36 CYS H A 34 PRO HBy 1.0 . 5.24 1987 1437 A 36 CYS H A 34 PRO HBx 1.0 . 5.24 1988 1438 A 35 SER HA A 35 SER HBx 1.0 . 2.65 1989 1438 A 35 SER HA A 35 SER HBy 1.0 . 2.65 1990 1439 A 38 LYS HDx A 35 SER HBx 1.0 . 4.04 1991 1439 A 38 LYS HDx A 35 SER HBy 1.0 . 4.04 1992 1440 A 39 MET HGy A 35 SER HBx 1.0 . 3.97 1993 1440 A 39 MET HGy A 35 SER HBy 1.0 . 3.97 1994 1441 A 39 MET HGx A 35 SER HBx 1.0 . 3.99 1995 1441 A 39 MET HGx A 35 SER HBy 1.0 . 3.99 1996 1442 A 39 MET HE% A 35 SER HBx 1.0 . 3.98 1997 1442 A 39 MET HE% A 35 SER HBy 1.0 . 3.98 1998 1443 A 36 CYS H A 37 GLN HGx 1.0 . 4.47 1999 1443 A 36 CYS H A 37 GLN HGy 1.0 . 4.47 2000 1444 A 37 GLN H A 37 GLN HBy 1.0 . 3.07 2001 1444 A 37 GLN H A 37 GLN HBx 1.0 . 3.07 2002 1445 A 37 GLN H A 37 GLN HGx 1.0 . 3.12 2003 1445 A 37 GLN H A 37 GLN HGy 1.0 . 3.12 2004 1446 A 37 GLN HA A 37 GLN HGx 1.0 . 3.61 2005 1446 A 37 GLN HA A 37 GLN HGy 1.0 . 3.61 2006 1447 A 37 GLN HA A 40 LYS HEy 1.0 . 4.83 2007 1447 A 37 GLN HA A 40 LYS HEx 1.0 . 4.83 2008 1448 A 38 LYS H A 37 GLN HBy 1.0 . 3.94 2009 1448 A 38 LYS H A 37 GLN HBx 1.0 . 3.94 2010 1449 A 38 LYS H A 37 GLN HGx 1.0 . 4.15 2011 1449 A 38 LYS H A 37 GLN HGy 1.0 . 4.15 2012 1450 A 38 LYS HGy A 42 VAL HGy% 1.0 . 4.37 2013 1450 A 38 LYS HGx A 42 VAL HGy% 1.0 . 4.37 2014 1450 A 42 VAL HGx% A 38 LYS HGx 1.0 . 4.37 2015 1450 A 38 LYS HGy A 42 VAL HGx% 1.0 . 4.37 2016 1451 A 39 MET H A 42 VAL HGy% 1.0 . 4.81 2017 1451 A 39 MET H A 42 VAL HGx% 1.0 . 4.81 2018 1452 A 39 MET HA A 42 VAL HGy% 1.0 . 3.38 2019 1452 A 39 MET HA A 42 VAL HGx% 1.0 . 3.38 2020 1453 A 39 MET HBx A 42 VAL HGy% 1.0 . 4.07 2021 1453 A 39 MET HBx A 42 VAL HGx% 1.0 . 4.07 2022 1454 A 39 MET HGy A 42 VAL HGy% 1.0 . 5.04 2023 1454 A 39 MET HGy A 42 VAL HGx% 1.0 . 5.04 2024 1455 A 39 MET HGx A 42 VAL HGy% 1.0 . 4.96 2025 1455 A 39 MET HGx A 42 VAL HGx% 1.0 . 4.96 2026 1456 A 39 MET HE% A 42 VAL HGy% 1.0 . 3.91 2027 1456 A 39 MET HE% A 42 VAL HGx% 1.0 . 3.91 2028 1457 A 39 MET HE% A 66 LEU HDy% 1.0 . 3.91 2029 1457 A 39 MET HE% A 66 LEU HDx% 1.0 . 3.91 2030 1458 A 40 LYS H A 40 LYS HBy 1.0 . 3.25 2031 1458 A 40 LYS H A 40 LYS HBx 1.0 . 3.25 2032 1459 A 40 LYS HA A 40 LYS HEy 1.0 . 5.30 2033 1459 A 40 LYS HA A 40 LYS HEx 1.0 . 5.30 2034 1460 A 40 LYS HBx A 40 LYS HEy 1.0 . 4.34 2035 1460 A 40 LYS HBy A 40 LYS HEy 1.0 . 4.34 2036 1460 A 40 LYS HEx A 40 LYS HBy 1.0 . 4.34 2037 1460 A 40 LYS HEx A 40 LYS HBx 1.0 . 4.34 2038 1461 A 41 ARG H A 40 LYS HBy 1.0 . 3.97 2039 1461 A 41 ARG H A 40 LYS HBx 1.0 . 3.97 2040 1462 A 40 LYS HEx A 40 LYS HGx 1.0 . 3.42 2041 1462 A 40 LYS HEy A 40 LYS HGx 1.0 . 3.42 2042 1462 A 40 LYS HGy A 40 LYS HEy 1.0 . 3.42 2043 1462 A 40 LYS HGy A 40 LYS HEx 1.0 . 3.42 2044 1463 A 41 ARG H A 42 VAL HGy% 1.0 . 4.28 2045 1463 A 41 ARG H A 42 VAL HGx% 1.0 . 4.28 2046 1464 A 41 ARG HA A 42 VAL HGy% 1.0 . 4.93 2047 1464 A 41 ARG HA A 42 VAL HGx% 1.0 . 4.93 2048 1465 A 41 ARG HA A 44 GLN HBx 1.0 . 3.32 2049 1465 A 41 ARG HA A 44 GLN HBy 1.0 . 3.32 2050 1466 A 41 ARG HBy A 42 VAL HGy% 1.0 . 4.13 2051 1466 A 41 ARG HBy A 42 VAL HGx% 1.0 . 4.13 2052 1467 A 41 ARG HBx A 42 VAL HGy% 1.0 . 4.74 2053 1467 A 41 ARG HBx A 42 VAL HGx% 1.0 . 4.74 2054 1468 A 42 VAL H A 42 VAL HGy% 1.0 . 2.98 2055 1468 A 42 VAL H A 42 VAL HGx% 1.0 . 2.98 2056 1469 A 42 VAL HA A 42 VAL HGy% 1.0 . 2.96 2057 1469 A 42 VAL HA A 42 VAL HGx% 1.0 . 2.96 2058 1470 A 43 VAL H A 42 VAL HGy% 1.0 . 3.80 2059 1470 A 43 VAL H A 42 VAL HGx% 1.0 . 3.80 2060 1471 A 46 THR HG2% A 42 VAL HGy% 1.0 . 3.57 2061 1471 A 46 THR HG2% A 42 VAL HGx% 1.0 . 3.57 2062 1472 A 59 ILE HD1% A 42 VAL HGy% 1.0 . 5.29 2063 1472 A 59 ILE HD1% A 42 VAL HGx% 1.0 . 5.29 2064 1473 A 42 VAL HGx% A 63 LEU HBx 1.0 . 4.54 2065 1473 A 42 VAL HGy% A 63 LEU HBx 1.0 . 4.54 2066 1473 A 63 LEU HBy A 42 VAL HGy% 1.0 . 4.54 2067 1473 A 63 LEU HBy A 42 VAL HGx% 1.0 . 4.54 2068 1474 A 127 TYR HBx A 42 VAL HGy% 1.0 . 5.44 2069 1474 A 127 TYR HBx A 42 VAL HGx% 1.0 . 5.44 2070 1475 A 127 TYR HD% A 42 VAL HGy% 1.0 . 4.06 2071 1475 A 127 TYR HD% A 42 VAL HGx% 1.0 . 4.06 2072 1476 A 128 PHE HD% A 42 VAL HGy% 1.0 . 3.52 2073 1476 A 128 PHE HD% A 42 VAL HGx% 1.0 . 3.52 2074 1477 A 128 PHE HE% A 42 VAL HGy% 1.0 . 3.33 2075 1477 A 128 PHE HE% A 42 VAL HGx% 1.0 . 3.33 2076 1478 A 128 PHE HZ A 42 VAL HGy% 1.0 . 5.09 2077 1478 A 128 PHE HZ A 42 VAL HGx% 1.0 . 5.09 2078 1479 A 44 GLN H A 44 GLN HBx 1.0 . 2.81 2079 1479 A 44 GLN H A 44 GLN HBy 1.0 . 2.81 2080 1480 A 45 HIS H A 44 GLN HBx 1.0 . 3.34 2081 1480 A 45 HIS H A 44 GLN HBy 1.0 . 3.34 2082 1481 A 44 GLN HBx A 47 LYS HDx 1.0 . 4.87 2083 1481 A 44 GLN HBy A 47 LYS HDx 1.0 . 4.87 2084 1481 A 47 LYS HDy A 44 GLN HBx 1.0 . 4.87 2085 1481 A 47 LYS HDy A 44 GLN HBy 1.0 . 4.87 2086 1482 A 45 HIS HD2 A 49 CYS HBy 1.0 . 4.66 2087 1482 A 45 HIS HD2 A 49 CYS HBx 1.0 . 4.66 2088 1483 A 46 THR HA A 49 CYS HBy 1.0 . 3.77 2089 1483 A 46 THR HA A 49 CYS HBx 1.0 . 3.77 2090 1484 A 47 LYS H A 48 GLY HAy 1.0 . 5.25 2091 1484 A 47 LYS H A 48 GLY HAx 1.0 . 5.25 2092 1485 A 49 CYS H A 49 CYS HBy 1.0 . 3.07 2093 1485 A 49 CYS H A 49 CYS HBx 1.0 . 3.07 2094 1486 A 49 CYS HA A 50 LYS HBy 1.0 . 4.75 2095 1486 A 49 CYS HA A 50 LYS HBx 1.0 . 4.75 2096 1487 A 49 CYS HA A 52 LYS HDy 1.0 . 4.88 2097 1487 A 49 CYS HA A 52 LYS HDx 1.0 . 4.88 2098 1488 A 49 CYS HBy A 52 LYS HGx 1.0 . 5.34 2099 1488 A 49 CYS HBx A 52 LYS HGx 1.0 . 5.34 2100 1488 A 52 LYS HGy A 49 CYS HBy 1.0 . 5.34 2101 1488 A 52 LYS HGy A 49 CYS HBx 1.0 . 5.34 2102 1489 A 49 CYS HBy A 52 LYS HDy 1.0 . 2.70 2103 1489 A 52 LYS HDx A 49 CYS HBy 1.0 . 2.70 2104 1489 A 49 CYS HBx A 52 LYS HDx 1.0 . 2.70 2105 1489 A 49 CYS HBx A 52 LYS HDy 1.0 . 2.70 2106 1490 A 49 CYS HBy A 52 LYS HEx 1.0 . 4.29 2107 1490 A 49 CYS HBx A 52 LYS HEx 1.0 . 4.29 2108 1490 A 52 LYS HEy A 49 CYS HBy 1.0 . 4.29 2109 1490 A 52 LYS HEy A 49 CYS HBx 1.0 . 4.29 2110 1491 A 83 PHE HZ A 49 CYS HBy 1.0 . 4.14 2111 1491 A 83 PHE HZ A 49 CYS HBx 1.0 . 4.14 2112 1492 A 50 LYS H A 50 LYS HGy 1.0 . 5.06 2113 1492 A 50 LYS H A 50 LYS HGx 1.0 . 5.06 2114 1493 A 50 LYS H A 52 LYS HDy 1.0 . 5.34 2115 1493 A 50 LYS H A 52 LYS HDx 1.0 . 5.34 2116 1494 A 50 LYS HA A 50 LYS HGy 1.0 . 3.26 2117 1494 A 50 LYS HA A 50 LYS HGx 1.0 . 3.26 2118 1495 A 51 ARG H A 50 LYS HBy 1.0 . 3.26 2119 1495 A 51 ARG H A 50 LYS HBx 1.0 . 3.26 2120 1496 A 50 LYS HEx A 50 LYS HGy 1.0 . 3.37 2121 1496 A 50 LYS HEy A 50 LYS HGy 1.0 . 3.37 2122 1496 A 50 LYS HGx A 50 LYS HEx 1.0 . 3.37 2123 1496 A 50 LYS HEy A 50 LYS HGx 1.0 . 3.37 2124 1497 A 52 LYS H A 52 LYS HDy 1.0 . 3.99 2125 1497 A 52 LYS H A 52 LYS HDx 1.0 . 3.99 2126 1498 A 52 LYS HA A 52 LYS HDy 1.0 . 5.25 2127 1498 A 52 LYS HA A 52 LYS HDx 1.0 . 5.25 2128 1499 A 64 ILE HD1% A 52 LYS HBy 1.0 . 5.34 2129 1499 A 64 ILE HD1% A 52 LYS HBx 1.0 . 5.34 2130 1500 A 83 PHE HZ A 52 LYS HBy 1.0 . 5.34 2131 1500 A 83 PHE HZ A 52 LYS HBx 1.0 . 5.34 2132 1501 A 53 THR H A 52 LYS HDy 1.0 . 5.04 2133 1501 A 53 THR H A 52 LYS HDx 1.0 . 5.04 2134 1502 A 83 PHE HE% A 52 LYS HDy 1.0 . 4.27 2135 1502 A 83 PHE HE% A 52 LYS HDx 1.0 . 4.27 2136 1503 A 83 PHE HZ A 52 LYS HDy 1.0 . 3.86 2137 1503 A 83 PHE HZ A 52 LYS HDx 1.0 . 3.86 2138 1504 A 59 ILE H A 58 PRO HGx 1.0 . 3.56 2139 1504 A 59 ILE H A 58 PRO HGy 1.0 . 3.56 2140 1505 A 59 ILE HD1% A 58 PRO HGx 1.0 . 4.26 2141 1505 A 59 ILE HD1% A 58 PRO HGy 1.0 . 4.26 2142 1506 A 64 ILE HD1% A 61 LYS HBy 1.0 . 5.34 2143 1506 A 64 ILE HD1% A 61 LYS HBx 1.0 . 5.34 2144 1507 A 63 LEU HDx% A 66 LEU HDy% 1.0 . 4.33 2145 1507 A 63 LEU HDy% A 66 LEU HDy% 1.0 . 4.33 2146 1507 A 66 LEU HDx% A 63 LEU HDx% 1.0 . 4.33 2147 1507 A 63 LEU HDy% A 66 LEU HDx% 1.0 . 4.33 2148 1508 A 66 LEU H A 66 LEU HDy% 1.0 . 3.68 2149 1508 A 66 LEU H A 66 LEU HDx% 1.0 . 3.68 2150 1509 A 66 LEU HA A 66 LEU HDy% 1.0 . 3.28 2151 1509 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.28 2152 1510 A 69 TYR HD% A 66 LEU HDy% 1.0 . 3.95 2153 1510 A 69 TYR HD% A 66 LEU HDx% 1.0 . 3.95 2154 1511 A 69 TYR HE% A 66 LEU HDy% 1.0 . 4.71 2155 1511 A 69 TYR HE% A 66 LEU HDx% 1.0 . 4.71 2156 1512 A 114 PHE HE% A 66 LEU HDy% 1.0 . 3.63 2157 1512 A 114 PHE HE% A 66 LEU HDx% 1.0 . 3.63 2158 1513 A 118 TRP HE1 A 66 LEU HDy% 1.0 . 4.44 2159 1513 A 118 TRP HE1 A 66 LEU HDx% 1.0 . 4.44 2160 1514 A 118 TRP HZ2 A 66 LEU HDy% 1.0 . 3.97 2161 1514 A 118 TRP HZ2 A 66 LEU HDx% 1.0 . 3.97 2162 1515 A 118 TRP HH2 A 66 LEU HDy% 1.0 . 3.48 2163 1515 A 118 TRP HH2 A 66 LEU HDx% 1.0 . 3.48 2164 1516 A 128 PHE HD% A 66 LEU HDy% 1.0 . 4.16 2165 1516 A 128 PHE HD% A 66 LEU HDx% 1.0 . 4.16 2166 1517 A 128 PHE HE% A 66 LEU HDy% 1.0 . 3.54 2167 1517 A 128 PHE HE% A 66 LEU HDx% 1.0 . 3.54 2168 1518 A 73 HIS HD2 A 73 HIS HBy 1.0 . 3.38 2169 1518 A 73 HIS HD2 A 73 HIS HBx 1.0 . 3.38 2170 1519 A 74 CYS H A 73 HIS HBy 1.0 . 3.88 2171 1519 A 74 CYS H A 73 HIS HBx 1.0 . 3.88 2172 1520 A 76 GLU H A 76 GLU HBx 1.0 . 3.03 2173 1520 A 76 GLU H A 76 GLU HBy 1.0 . 3.03 2174 1521 A 78 LYS H A 76 GLU HBx 1.0 . 4.02 2175 1521 A 78 LYS H A 76 GLU HBy 1.0 . 4.02 2176 1522 A 79 CYS H A 76 GLU HBx 1.0 . 5.18 2177 1522 A 79 CYS H A 76 GLU HBy 1.0 . 5.18 2178 1523 A 79 CYS H A 80 PRO HDy 1.0 . 5.03 2179 1523 A 79 CYS H A 80 PRO HDx 1.0 . 5.03 2180 1524 A 81 VAL H A 80 PRO HGy 1.0 . 4.05 2181 1524 A 81 VAL H A 80 PRO HGx 1.0 . 4.05 2182 1525 A 81 VAL HGy% A 80 PRO HGy 1.0 . 4.00 2183 1525 A 81 VAL HGy% A 80 PRO HGx 1.0 . 4.00 2184 1526 A 81 VAL H A 80 PRO HDy 1.0 . 3.66 2185 1526 A 81 VAL H A 80 PRO HDx 1.0 . 3.66 2186 1527 A 81 VAL HGy% A 80 PRO HDy 1.0 . 4.02 2187 1527 A 81 VAL HGy% A 80 PRO HDx 1.0 . 4.02 2188 1528 A 80 PRO HDx A 85 LEU HDx% 1.0 . 5.35 2189 1528 A 80 PRO HDy A 85 LEU HDx% 1.0 . 5.35 2190 1528 A 85 LEU HDy% A 80 PRO HDy 1.0 . 5.35 2191 1528 A 85 LEU HDy% A 80 PRO HDx 1.0 . 5.35 2192 1529 A 81 VAL HA A 82 PRO HGy 1.0 . 4.42 2193 1529 A 81 VAL HA A 82 PRO HGx 1.0 . 4.42 2194 1530 A 81 VAL HA A 82 PRO HDy 1.0 . 2.87 2195 1530 A 81 VAL HA A 82 PRO HDx 1.0 . 2.87 2196 1531 A 81 VAL HGx% A 82 PRO HGy 1.0 . 3.99 2197 1531 A 81 VAL HGx% A 82 PRO HGx 1.0 . 3.99 2198 1532 A 81 VAL HGx% A 82 PRO HDy 1.0 . 3.05 2199 1532 A 81 VAL HGx% A 82 PRO HDx 1.0 . 3.05 2200 1533 A 81 VAL HGy% A 82 PRO HDy 1.0 . 3.73 2201 1533 A 81 VAL HGy% A 82 PRO HDx 1.0 . 3.73 2202 1534 A 83 PHE HE% A 82 PRO HGy 1.0 . 4.31 2203 1534 A 83 PHE HE% A 82 PRO HGx 1.0 . 4.31 2204 1535 A 82 PRO HDx A 85 LEU HDx% 1.0 . 4.61 2205 1535 A 85 LEU HDy% A 82 PRO HDy 1.0 . 4.61 2206 1535 A 85 LEU HDy% A 82 PRO HDx 1.0 . 4.61 2207 1535 A 82 PRO HDy A 85 LEU HDx% 1.0 . 4.61 2208 1536 A 85 LEU HDy% A 89 GLN HGx 1.0 . 3.82 2209 1536 A 85 LEU HDx% A 89 GLN HGx 1.0 . 3.82 2210 1536 A 89 GLN HGy A 85 LEU HDx% 1.0 . 3.82 2211 1536 A 85 LEU HDy% A 89 GLN HGy 1.0 . 3.82 2212 1537 A 88 LYS H A 89 GLN HGx 1.0 . 5.34 2213 1537 A 88 LYS H A 89 GLN HGy 1.0 . 5.34 2214 1538 A 89 GLN H A 89 GLN HGx 1.0 . 3.46 2215 1538 A 89 GLN H A 89 GLN HGy 1.0 . 3.46 2216 1539 A 89 GLN HA A 89 GLN HGx 1.0 . 3.18 2217 1539 A 89 GLN HA A 89 GLN HGy 1.0 . 3.18 2218 1540 A 104 ILE H A 104 ILE HG1x 1.0 . 4.55 2219 1540 A 104 ILE H A 104 ILE HG1y 1.0 . 4.55 2220 1541 A 104 ILE HA A 104 ILE HG1x 1.0 . 3.31 2221 1541 A 104 ILE HA A 104 ILE HG1y 1.0 . 3.31 2222 1542 A 104 ILE HG2% A 104 ILE HG1x 1.0 . 3.02 2223 1542 A 104 ILE HG2% A 104 ILE HG1y 1.0 . 3.02 2224 1543 A 105 GLU H A 104 ILE HG1x 1.0 . 4.51 2225 1543 A 105 GLU H A 104 ILE HG1y 1.0 . 4.51 2226 1544 A 104 ILE HG1x A 105 GLU HGx 1.0 . 5.01 2227 1544 A 104 ILE HG1y A 105 GLU HGx 1.0 . 5.01 2228 1544 A 105 GLU HGy A 104 ILE HG1x 1.0 . 5.01 2229 1544 A 105 GLU HGy A 104 ILE HG1y 1.0 . 5.01 2230 1545 A 105 GLU H A 105 GLU HBy 1.0 . 3.02 2231 1545 A 105 GLU H A 105 GLU HBx 1.0 . 3.02 2232 1546 A 106 GLY H A 105 GLU HBy 1.0 . 4.21 2233 1546 A 106 GLY H A 105 GLU HBx 1.0 . 4.21 2234 1547 A 107 ARG H A 107 ARG HBy 1.0 . 3.27 2235 1547 A 107 ARG H A 107 ARG HBx 1.0 . 3.27 2236 1548 A 107 ARG HBx A 107 ARG HGx 1.0 . 2.30 2237 1548 A 107 ARG HBy A 107 ARG HGx 1.0 . 2.30 2238 1548 A 107 ARG HGy A 107 ARG HBy 1.0 . 2.30 2239 1548 A 107 ARG HGy A 107 ARG HBx 1.0 . 2.30 2240 1549 A 108 GLY H A 107 ARG HBy 1.0 . 4.20 2241 1549 A 108 GLY H A 107 ARG HBx 1.0 . 4.20 2242 1550 A 109 ASP H A 109 ASP HBy 1.0 . 3.38 2243 1550 A 109 ASP H A 109 ASP HBx 1.0 . 3.38 2244 1551 A 114 PHE HA A 117 LEU HDy% 1.0 . 4.56 2245 1551 A 114 PHE HA A 117 LEU HDx% 1.0 . 4.56 2246 1552 A 114 PHE HD% A 117 LEU HDy% 1.0 . 3.37 2247 1552 A 114 PHE HD% A 117 LEU HDx% 1.0 . 3.37 2248 1553 A 116 HIS HD2 A 117 LEU HDy% 1.0 . 3.77 2249 1553 A 116 HIS HD2 A 117 LEU HDx% 1.0 . 3.77 2250 1554 A 117 LEU H A 117 LEU HDy% 1.0 . 3.87 2251 1554 A 117 LEU H A 117 LEU HDx% 1.0 . 3.87 2252 1555 A 117 LEU HA A 117 LEU HDy% 1.0 . 2.92 2253 1555 A 117 LEU HA A 117 LEU HDx% 1.0 . 2.92 2254 1556 A 117 LEU HBx A 117 LEU HDy% 1.0 . 3.12 2255 1556 A 117 LEU HBx A 117 LEU HDx% 1.0 . 3.12 2256 1557 A 118 TRP H A 117 LEU HDy% 1.0 . 4.50 2257 1557 A 118 TRP H A 117 LEU HDx% 1.0 . 4.50 2258 1558 A 120 SER H A 120 SER HBy 1.0 . 3.65 2259 1558 A 120 SER H A 120 SER HBx 1.0 . 3.65 2260 1559 A 124 ASP H A 123 PRO HGy 1.0 . 4.64 2261 1559 A 124 ASP H A 123 PRO HGx 1.0 . 4.64 2262 1560 A 125 SER H A 125 SER HBx 1.0 . 3.45 2263 1560 A 125 SER H A 125 SER HBy 1.0 . 3.45 2264 1561 A 126 THR H A 125 SER HBx 1.0 . 4.37 2265 1561 A 126 THR H A 125 SER HBy 1.0 . 4.37 2266 1562 A 129 ASP H A 129 ASP HBy 1.0 . 3.08 2267 1562 A 129 ASP H A 129 ASP HBx 1.0 . 3.08 2268 1563 A 130 LEU H A 129 ASP HBy 1.0 . 4.02 2269 1563 A 130 LEU H A 129 ASP HBx 1.0 . 4.02 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 SER H A 8 SER O 1.0 . 2.0 2 2 A 8 SER O A 12 SER N 1.0 . 3.0 3 3 A 13 ILE H A 9 ARG O 1.0 . 2.0 4 4 A 9 ARG O A 13 ILE N 1.0 . 3.0 5 5 A 14 GLN H A 10 ARG O 1.0 . 2.0 6 6 A 10 ARG O A 14 GLN N 1.0 . 3.0 7 7 A 15 ARG H A 11 LEU O 1.0 . 2.0 8 8 A 11 LEU O A 15 ARG N 1.0 . 3.0 9 9 A 16 ALA H A 12 SER O 1.0 . 2.0 10 10 A 12 SER O A 16 ALA N 1.0 . 3.0 11 11 A 17 ILE H A 13 ILE O 1.0 . 2.0 12 12 A 13 ILE O A 17 ILE N 1.0 . 3.0 13 13 A 18 GLN H A 14 GLN O 1.0 . 2.0 14 14 A 14 GLN O A 18 GLN N 1.0 . 3.0 15 15 A 19 SER H A 15 ARG O 1.0 . 2.0 16 16 A 15 ARG O A 19 SER N 1.0 . 3.0 17 17 A 20 LEU H A 16 ALA O 1.0 . 2.0 18 18 A 16 ALA O A 20 LEU N 1.0 . 3.0 19 19 A 21 VAL H A 17 ILE O 1.0 . 2.0 20 20 A 17 ILE O A 21 VAL N 1.0 . 3.0 21 21 A 22 HIS H A 18 GLN O 1.0 . 2.0 22 22 A 18 GLN O A 22 HIS N 1.0 . 3.0 23 23 A 23 ALA H A 19 SER O 1.0 . 2.0 24 24 A 19 SER O A 23 ALA N 1.0 . 3.0 25 25 A 24 ALA H A 20 LEU O 1.0 . 2.0 26 26 A 20 LEU O A 24 ALA N 1.0 . 3.0 27 27 A 12 SER H A 8 SER O 1.0 . 1.8 28 28 A 8 SER O A 12 SER N 1.0 . 2.7 29 29 A 13 ILE H A 9 ARG O 1.0 . 1.8 30 30 A 9 ARG O A 13 ILE N 1.0 . 2.7 31 31 A 14 GLN H A 10 ARG O 1.0 . 1.8 32 32 A 10 ARG O A 14 GLN N 1.0 . 2.7 33 33 A 15 ARG H A 11 LEU O 1.0 . 1.8 34 34 A 11 LEU O A 15 ARG N 1.0 . 2.7 35 35 A 16 ALA H A 12 SER O 1.0 . 1.8 36 36 A 12 SER O A 16 ALA N 1.0 . 2.7 37 37 A 17 ILE H A 13 ILE O 1.0 . 1.8 38 38 A 13 ILE O A 17 ILE N 1.0 . 2.7 39 39 A 18 GLN H A 14 GLN O 1.0 . 1.8 40 40 A 14 GLN O A 18 GLN N 1.0 . 2.7 41 41 A 19 SER H A 15 ARG O 1.0 . 1.8 42 42 A 15 ARG O A 19 SER N 1.0 . 2.7 43 43 A 20 LEU H A 16 ALA O 1.0 . 1.8 44 44 A 16 ALA O A 20 LEU N 1.0 . 2.7 45 45 A 21 VAL H A 17 ILE O 1.0 . 1.8 46 46 A 17 ILE O A 21 VAL N 1.0 . 2.7 47 47 A 22 HIS H A 18 GLN O 1.0 . 1.8 48 48 A 18 GLN O A 22 HIS N 1.0 . 2.7 49 49 A 23 ALA H A 19 SER O 1.0 . 1.8 50 50 A 19 SER O A 23 ALA N 1.0 . 2.7 51 51 A 24 ALA H A 20 LEU O 1.0 . 1.8 52 52 A 20 LEU O A 24 ALA N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 7 ASP C A 8 SER N A 8 SER CA A 8 SER C 1.0 -76.1 -51.4 PHI 2 2 A 8 SER N A 8 SER CA A 8 SER C A 9 ARG N 1.0 -51.7 -27.2 PSI 3 3 A 8 SER C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -76.6 -56.6 PHI 4 4 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ARG N 1.0 -49.3 -29.3 PSI 5 5 A 9 ARG C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -71.6 -50.9 PHI 6 6 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 LEU N 1.0 -55.0 -28.8 PSI 7 7 A 10 ARG C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -93.8 -48.6 PHI 8 8 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 SER N 1.0 -57.2 -17.5 PSI 9 9 A 11 LEU C A 12 SER N A 12 SER CA A 12 SER C 1.0 -75.8 -55.8 PHI 10 10 A 12 SER N A 12 SER CA A 12 SER C A 13 ILE N 1.0 -51.4 -31.4 PSI 11 11 A 12 SER C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -75.8 -54.8 PHI 12 12 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLN N 1.0 -51.0 -31.0 PSI 13 13 A 13 ILE C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -73.3 -50.1 PHI 14 14 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 ARG N 1.0 -57.2 -16.6 PSI 15 15 A 14 GLN C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -82.2 -53.2 PHI 16 16 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ALA N 1.0 -59.5 -10.2 PSI 17 17 A 15 ARG C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -76.2 -56.2 PHI 18 18 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -51.6 -31.6 PSI 19 19 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -73.8 -53.8 PHI 20 20 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 GLN N 1.0 -52.5 -32.5 PSI 21 21 A 17 ILE C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -71.3 -51.3 PHI 22 22 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 SER N 1.0 -58.5 -25.3 PSI 23 23 A 18 GLN C A 19 SER N A 19 SER CA A 19 SER C 1.0 -79.7 -53.4 PHI 24 24 A 19 SER N A 19 SER CA A 19 SER C A 20 LEU N 1.0 -49.2 -28.4 PSI 25 25 A 19 SER C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -75.5 -51.9 PHI 26 26 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 -54.6 -34.6 PSI 27 27 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -73.2 -53.2 PHI 28 28 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 HIS N 1.0 -58.4 -33.4 PSI 29 29 A 22 HIS C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -73.7 -53.7 PHI 30 30 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -55.9 -31.2 PSI 31 31 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -94.0 -55.3 PHI 32 32 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 GLN N 1.0 -53.7 -21.6 PSI 33 33 A 24 ALA C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -122.5 -78.5 PHI 34 34 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 CYS N 1.0 -43.5 29.2 PSI 35 35 A 26 CYS C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -112.8 -83.3 PHI 36 36 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ASN N 1.0 -16.5 24.6 PSI 37 37 A 27 ARG C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -173.1 -40.6 PHI 38 38 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 ALA N 1.0 92.7 175.6 PSI 39 39 A 28 ASN C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -91.7 -46.6 PHI 40 40 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ASN N 1.0 -40.5 -2.9 PSI 41 41 A 31 CYS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -160.4 -62.0 PHI 42 42 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 98.3 155.6 PSI 43 43 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -140.3 -19.5 PHI 44 44 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 PRO N 1.0 94.5 192.9 PSI 45 45 A 34 PRO C A 35 SER N A 35 SER CA A 35 SER C 1.0 -77.2 -55.8 PHI 46 46 A 35 SER N A 35 SER CA A 35 SER C A 36 CYS N 1.0 -55.6 -25.7 PSI 47 47 A 36 CYS C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -75.3 -54.2 PHI 48 48 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 LYS N 1.0 -48.3 -27.7 PSI 49 49 A 37 GLN C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -73.6 -53.6 PHI 50 50 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 MET N 1.0 -52.7 -30.2 PSI 51 51 A 38 LYS C A 39 MET N A 39 MET CA A 39 MET C 1.0 -75.6 -55.6 PHI 52 52 A 39 MET N A 39 MET CA A 39 MET C A 40 LYS N 1.0 -53.0 -33.0 PSI 53 53 A 39 MET C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -74.8 -40.8 PHI 54 54 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -64.0 -33.6 PSI 55 55 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -72.5 -52.5 PHI 56 56 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 VAL N 1.0 -52.7 -23.4 PSI 57 57 A 41 ARG C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -73.4 -53.4 PHI 58 58 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 VAL N 1.0 -54.3 -33.3 PSI 59 59 A 42 VAL C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -73.3 -53.3 PHI 60 60 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 GLN N 1.0 -53.6 -32.9 PSI 61 61 A 43 VAL C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -72.7 -52.7 PHI 62 62 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 HIS N 1.0 -52.6 -32.6 PSI 63 63 A 45 HIS C A 46 THR N A 46 THR CA A 46 THR C 1.0 -82.7 -49.3 PHI 64 64 A 46 THR N A 46 THR CA A 46 THR C A 47 LYS N 1.0 -58.4 -17.5 PSI 65 65 A 46 THR C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -84.0 -53.1 PHI 66 66 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 GLY N 1.0 -59.0 -8.9 PSI 67 67 A 47 LYS C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 -120.1 -76.2 PHI 68 68 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 CYS N 1.0 -32.6 37.0 PSI 69 69 A 49 CYS C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -112.7 -85.4 PHI 70 70 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ARG N 1.0 -13.1 23.8 PSI 71 71 A 50 LYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -87.6 -51.6 PHI 72 72 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 LYS N 1.0 -74.4 17.8 PSI 73 73 A 51 ARG C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -78.1 -49.1 PHI 74 74 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 THR N 1.0 -62.4 -16.6 PSI 75 75 A 52 LYS C A 53 THR N A 53 THR CA A 53 THR C 1.0 -115.2 -31.9 PHI 76 76 A 53 THR N A 53 THR CA A 53 THR C A 54 ASN N 1.0 -63.8 -17.0 PSI 77 77 A 53 THR C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -119.0 -58.2 PHI 78 78 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 GLY N 1.0 -52.0 25.1 PSI 79 79 A 55 GLY C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -153.0 22.8 PHI 80 80 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 CYS N 1.0 108.2 163.9 PSI 81 81 A 58 PRO C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -75.2 -55.2 PHI 82 82 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 CYS N 1.0 -50.3 -30.3 PSI 83 83 A 60 CYS C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -78.3 -54.2 PHI 84 84 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 GLN N 1.0 -51.1 -30.3 PSI 85 85 A 61 LYS C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -75.2 -55.2 PHI 86 86 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 LEU N 1.0 -55.6 -28.5 PSI 87 87 A 62 GLN C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -73.7 -52.3 PHI 88 88 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ILE N 1.0 -55.6 -30.5 PSI 89 89 A 63 LEU C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -74.3 -54.3 PHI 90 90 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ALA N 1.0 -53.5 -33.5 PSI 91 91 A 64 ILE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -72.8 -52.8 PHI 92 92 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -50.8 -30.8 PSI 93 93 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -78.4 -58.4 PHI 94 94 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ALA N 1.0 -52.7 -27.6 PSI 95 95 A 66 LEU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -72.6 -52.6 PHI 96 96 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ALA N 1.0 -53.5 -28.0 PSI 97 97 A 67 ALA C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -78.2 -49.6 PHI 98 98 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 TYR N 1.0 -56.9 -24.1 PSI 99 99 A 68 ALA C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -74.9 -54.9 PHI 100 100 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 HIS N 1.0 -52.9 -32.9 PSI 101 101 A 70 HIS C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -74.4 -54.4 PHI 102 102 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 LYS N 1.0 -60.7 -17.8 PSI 103 103 A 71 ALA C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -92.4 -55.5 PHI 104 104 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 HIS N 1.0 -65.1 2.3 PSI 105 105 A 72 LYS C A 73 HIS N A 73 HIS CA A 73 HIS C 1.0 -124.4 -81.0 PHI 106 106 A 73 HIS N A 73 HIS CA A 73 HIS C A 74 CYS N 1.0 -38.9 38.6 PSI 107 107 A 75 GLN C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -151.8 -50.3 PHI 108 108 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ASN N 1.0 79.0 181.7 PSI 109 109 A 80 PRO C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -142.2 -15.9 PHI 110 110 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 PRO N 1.0 90.5 178.9 PSI 111 111 A 82 PRO C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -76.2 -55.5 PHI 112 112 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 CYS N 1.0 -55.9 -20.4 PSI 113 113 A 84 CYS C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -71.7 -51.7 PHI 114 114 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ASN N 1.0 -51.4 -27.5 PSI 115 115 A 85 LEU C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -74.2 -54.2 PHI 116 116 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 ILE N 1.0 -52.4 -32.4 PSI 117 117 A 86 ASN C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -84.0 -53.4 PHI 118 118 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 LYS N 1.0 -61.0 -27.6 PSI 119 119 A 87 ILE C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -77.3 -49.4 PHI 120 120 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 GLN N 1.0 -65.1 -12.0 PSI 121 121 A 88 LYS C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -87.7 -50.0 PHI 122 122 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 LYS N 1.0 -58.7 8.6 PSI 123 123 A 113 THR C A 114 PHE N A 114 PHE CA A 114 PHE C 1.0 -73.4 -53.4 PHI 124 124 A 114 PHE N A 114 PHE CA A 114 PHE C A 115 GLU N 1.0 -61.0 -25.7 PSI 125 125 A 114 PHE C A 115 GLU N A 115 GLU CA A 115 GLU C 1.0 -78.7 -48.5 PHI 126 126 A 115 GLU N A 115 GLU CA A 115 GLU C A 116 HIS N 1.0 -57.8 -27.3 PSI 127 127 A 115 GLU C A 116 HIS N A 116 HIS CA A 116 HIS C 1.0 -93.0 -40.2 PHI 128 128 A 116 HIS N A 116 HIS CA A 116 HIS C A 117 LEU N 1.0 -69.9 -7.8 PSI 129 129 A 116 HIS C A 117 LEU N A 117 LEU CA A 117 LEU C 1.0 -90.3 -52.5 PHI 130 130 A 117 LEU N A 117 LEU CA A 117 LEU C A 118 TRP N 1.0 -48.6 -15.8 PSI 131 131 A 117 LEU C A 118 TRP N A 118 TRP CA A 118 TRP C 1.0 -98.1 -46.4 PHI 132 132 A 118 TRP N A 118 TRP CA A 118 TRP C A 119 SER N 1.0 -62.8 12.4 PSI 133 133 A 118 TRP C A 119 SER N A 119 SER CA A 119 SER C 1.0 -108.3 -34.1 PHI 134 134 A 119 SER N A 119 SER CA A 119 SER C A 120 SER N 1.0 -74.4 6.5 PSI 135 135 A 119 SER C A 120 SER N A 120 SER CA A 120 SER C 1.0 -142.3 -46.4 PHI 136 136 A 120 SER N A 120 SER CA A 120 SER C A 121 LEU N 1.0 -46.7 25.5 PSI 137 137 A 120 SER C A 121 LEU N A 121 LEU CA A 121 LEU C 1.0 -201.7 33.3 PHI 138 138 A 121 LEU N A 121 LEU CA A 121 LEU C A 122 GLU N 1.0 98.5 180.0 PSI 139 139 A 121 LEU C A 122 GLU N A 122 GLU CA A 122 GLU C 1.0 -119.3 -39.1 PHI 140 140 A 122 GLU N A 122 GLU CA A 122 GLU C A 123 PRO N 1.0 118.1 168.7 PSI 141 141 A 123 PRO C A 124 ASP N A 124 ASP CA A 124 ASP C 1.0 -110.3 -68.9 PHI 142 142 A 124 ASP N A 124 ASP CA A 124 ASP C A 125 SER N 1.0 -32.8 23.4 PSI 143 143 A 125 SER C A 126 THR N A 126 THR CA A 126 THR C 1.0 -82.2 -51.9 PHI 144 144 A 126 THR N A 126 THR CA A 126 THR C A 127 TYR N 1.0 -82.1 10.2 PSI 145 145 A 126 THR C A 127 TYR N A 127 TYR CA A 127 TYR C 1.0 -132.8 -52.7 PHI 146 146 A 127 TYR N A 127 TYR CA A 127 TYR C A 128 PHE N 1.0 -62.5 14.0 PSI 147 147 A 127 TYR C A 128 PHE N A 128 PHE CA A 128 PHE C 1.0 -173.3 -48.1 PHI 148 148 A 128 PHE N A 128 PHE CA A 128 PHE C A 129 ASP N 1.0 97.0 205.4 PSI 149 149 A 128 PHE C A 129 ASP N A 129 ASP CA A 129 ASP C 1.0 -99.6 -47.7 PHI 150 150 A 129 ASP N A 129 ASP CA A 129 ASP C A 130 LEU N 1.0 82.9 172.0 PSI stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 90 LYS C A 91 GLY N A 91 GLY CA A 91 GLY C 1.0 45.0 130.0 PHI 2 2 A 91 GLY N A 91 GLY CA A 91 GLY C A 92 GLY N 1.0 -45.0 55.0 PSI 3 3 A 91 GLY C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 45.0 130.0 PHI 4 4 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 SER N 1.0 -45.0 55.0 PSI 5 5 A 93 SER C A 94 GLY N A 94 GLY CA A 94 GLY C 1.0 45.0 130.0 PHI 6 6 A 94 GLY N A 94 GLY CA A 94 GLY C A 95 GLY N 1.0 -45.0 55.0 PSI 7 7 A 94 GLY C A 95 GLY N A 95 GLY CA A 95 GLY C 1.0 45.0 130.0 PHI 8 8 A 95 GLY N A 95 GLY CA A 95 GLY C A 96 GLY N 1.0 -45.0 55.0 PSI 9 9 A 95 GLY C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 45.0 130.0 PHI 10 10 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 THR N 1.0 -45.0 55.0 PSI 11 11 A 97 THR C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 45.0 130.0 PHI 12 12 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 GLY N 1.0 -45.0 55.0 PSI 13 13 A 98 GLY C A 99 GLY N A 99 GLY CA A 99 GLY C 1.0 45.0 130.0 PHI 14 14 A 99 GLY N A 99 GLY CA A 99 GLY C A 100 GLY N 1.0 -45.0 55.0 PSI 15 15 A 99 GLY C A 100 GLY N A 100 GLY CA A 100 GLY C 1.0 45.0 130.0 PHI 16 16 A 100 GLY N A 100 GLY CA A 100 GLY C A 101 SER N 1.0 -45.0 55.0 PSI 17 17 A 101 SER C A 102 GLY N A 102 GLY CA A 102 GLY C 1.0 45.0 130.0 PHI 18 18 A 102 GLY N A 102 GLY CA A 102 GLY C A 103 THR N 1.0 -45.0 55.0 PSI 19 19 A 105 GLU C A 106 GLY N A 106 GLY CA A 106 GLY C 1.0 45.0 130.0 PHI 20 20 A 106 GLY N A 106 GLY CA A 106 GLY C A 107 ARG N 1.0 -45.0 55.0 PSI 21 21 A 107 ARG C A 108 GLY N A 108 GLY CA A 108 GLY C 1.0 45.0 130.0 PHI 22 22 A 108 GLY N A 108 GLY CA A 108 GLY C A 109 ASP N 1.0 -45.0 55.0 PSI 23 23 A 109 ASP C A 110 GLY N A 110 GLY CA A 110 GLY C 1.0 45.0 130.0 PHI 24 24 A 110 GLY N A 110 GLY CA A 110 GLY C A 111 GLY N 1.0 -45.0 55.0 PSI 25 25 A 110 GLY C A 111 GLY N A 111 GLY CA A 111 GLY C 1.0 45.0 130.0 PHI 26 26 A 111 GLY N A 111 GLY CA A 111 GLY C A 112 THR N 1.0 -45.0 55.0 PSI stop_ save_