data_nef_c34231_6fgn 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 6FGN 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 THR middle . . 93 A 93 ILE middle . . 94 A 94 GLU middle . . 95 A 95 GLY middle . false 96 A 96 ARG middle . . 97 A 97 GLY middle . false 98 A 98 ASN middle . . 99 A 99 GLU middle . . 100 A 100 PHE middle . . 101 A 101 LEU middle . . 102 A 102 SER middle . . 103 A 103 PRO middle . false 104 A 104 GLU middle . . 105 A 105 VAL middle . . 106 A 106 PHE middle . . 107 A 107 GLN middle . . 108 A 108 HIS middle . . 109 A 109 ILE middle . . 110 A 110 TRP middle . . 111 A 111 ASP middle . . 112 A 112 PHE middle . . 113 A 113 LEU middle . . 114 A 114 GLU middle . . 115 A 115 GLN middle . . 116 A 116 PRO middle . false 117 A 117 ILE middle . . 118 A 118 SER middle . . 119 A 119 SER middle . . 120 A 120 VAL middle . . 121 A 121 GLN middle . . 122 A 122 PRO middle . false 123 A 123 ILE middle . . 124 A 124 ASP end . . 125 B 1 ZN . . . 126 B 2 ZN . . . 127 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 8.535 0.020 A 1 ALA HA H 1 4.431 0.020 A 1 ALA HB% H 1 1.439 0.020 A 1 ALA C C 13 177.995 0.400 A 1 ALA CA C 13 52.815 0.400 A 1 ALA CB C 13 19.315 0.400 A 1 ALA N N 15 126.195 0.400 A 2 THR H H 1 8.099 0.020 A 2 THR HA H 1 4.330 0.020 A 2 THR HB H 1 3.975 0.020 A 2 THR HG2% H 1 1.208 0.020 A 2 THR C C 13 174.467 0.400 A 2 THR CA C 13 61.868 0.400 A 2 THR CB C 13 69.802 0.400 A 2 THR CG2 C 13 21.700 0.400 A 2 THR N N 15 113.169 0.400 A 3 GLN H H 1 8.312 0.020 A 3 GLN HA H 1 4.435 0.020 A 3 GLN HBy H 1 2.110 0.020 A 3 GLN HBx H 1 1.998 0.020 A 3 GLN HGx H 1 2.400 0.020 A 3 GLN HGy H 1 2.400 0.020 A 3 GLN C C 13 175.682 0.400 A 3 GLN CA C 13 55.686 0.400 A 3 GLN CB C 13 29.853 0.400 A 3 GLN CG C 13 33.926 0.400 A 3 GLN N N 15 122.762 0.400 A 4 SER H H 1 8.561 0.020 A 4 SER CA C 13 56.372 0.400 A 4 SER CB C 13 63.405 0.400 A 4 SER N N 15 119.202 0.400 A 5 PRO HA H 1 4.449 0.020 A 5 PRO HBx H 1 2.333 0.020 A 5 PRO HBy H 1 2.333 0.020 A 5 PRO HDy H 1 3.835 0.020 A 5 PRO HDx H 1 3.807 0.020 A 5 PRO HGy H 1 2.064 0.020 A 5 PRO HGx H 1 1.984 0.020 A 5 PRO C C 13 177.978 0.400 A 5 PRO CA C 13 64.110 0.400 A 5 PRO CB C 13 32.060 0.400 A 5 PRO CD C 13 50.847 0.400 A 5 PRO CG C 13 27.581 0.400 A 6 GLY H H 1 8.430 0.020 A 6 GLY HAx H 1 3.947 0.020 A 6 GLY HAy H 1 3.947 0.020 A 6 GLY C C 13 174.585 0.400 A 6 GLY CA C 13 45.732 0.400 A 6 GLY N N 15 108.287 0.400 A 7 ASP H H 1 8.087 0.020 A 7 ASP HA H 1 4.627 0.020 A 7 ASP HBx H 1 2.745 0.020 A 7 ASP HBy H 1 2.745 0.020 A 7 ASP C C 13 177.292 0.400 A 7 ASP CA C 13 55.167 0.400 A 7 ASP CB C 13 41.367 0.400 A 7 ASP N N 15 121.170 0.400 A 8 SER H H 1 8.376 0.020 A 8 SER HA H 1 4.325 0.020 A 8 SER HBx H 1 3.971 0.020 A 8 SER HBy H 1 3.971 0.020 A 8 SER C C 13 176.177 0.400 A 8 SER CA C 13 60.305 0.400 A 8 SER CB C 13 63.229 0.400 A 8 SER N N 15 116.886 0.400 A 9 ARG H H 1 8.283 0.020 A 9 ARG HA H 1 4.174 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 HDy H 1 3.222 0.020 A 9 ARG HDx H 1 3.109 0.020 A 9 ARG HGy H 1 1.640 0.020 A 9 ARG HGx H 1 1.542 0.020 A 9 ARG C C 13 177.504 0.400 A 9 ARG CA C 13 58.388 0.400 A 9 ARG CB C 13 30.005 0.400 A 9 ARG CD C 13 43.464 0.400 A 9 ARG CG C 13 27.619 0.400 A 9 ARG N N 15 122.868 0.400 A 10 ARG H H 1 7.997 0.020 A 10 ARG HA H 1 4.058 0.020 A 10 ARG HBx H 1 1.884 0.020 A 10 ARG HBy H 1 1.884 0.020 A 10 ARG HDx H 1 3.225 0.020 A 10 ARG HDy H 1 3.225 0.020 A 10 ARG HGy H 1 1.708 0.020 A 10 ARG HGx H 1 1.573 0.020 A 10 ARG C C 13 177.981 0.400 A 10 ARG CA C 13 58.577 0.400 A 10 ARG CB C 13 30.273 0.400 A 10 ARG CD C 13 43.418 0.400 A 10 ARG CG C 13 27.622 0.400 A 10 ARG N N 15 119.584 0.400 A 11 LEU H H 1 8.100 0.020 A 11 LEU HA H 1 4.197 0.020 A 11 LEU HBx H 1 1.697 0.020 A 11 LEU HBy H 1 1.697 0.020 A 11 LEU HDx% H 1 0.885 0.020 A 11 LEU HDy% H 1 0.841 0.020 A 11 LEU HG H 1 1.627 0.020 A 11 LEU C C 13 178.544 0.400 A 11 LEU CA C 13 57.076 0.400 A 11 LEU CB C 13 41.903 0.400 A 11 LEU CDy C 13 24.670 0.400 A 11 LEU CDx C 13 23.901 0.400 A 11 LEU CG C 13 27.185 0.400 A 11 LEU N N 15 120.774 0.400 A 12 SER H H 1 8.032 0.020 A 12 SER HA H 1 4.299 0.020 A 12 SER HBy H 1 4.065 0.020 A 12 SER HBx H 1 3.931 0.020 A 12 SER C C 13 176.833 0.400 A 12 SER CA C 13 60.879 0.400 A 12 SER CB C 13 63.228 0.400 A 12 SER N N 15 116.006 0.400 A 13 ILE H H 1 8.128 0.020 A 13 ILE HA H 1 3.594 0.020 A 13 ILE HB H 1 1.759 0.020 A 13 ILE HD1% H 1 0.530 0.020 A 13 ILE HG1x H 1 1.494 0.020 A 13 ILE HG1y H 1 1.494 0.020 A 13 ILE HG2% H 1 0.536 0.020 A 13 ILE C C 13 177.185 0.400 A 13 ILE CA C 13 64.967 0.400 A 13 ILE CB C 13 37.719 0.400 A 13 ILE CD1 C 13 13.215 0.400 A 13 ILE CG1 C 13 29.224 0.400 A 13 ILE CG2 C 13 17.174 0.400 A 13 ILE N N 15 123.239 0.400 A 14 GLN H H 1 8.130 0.020 A 14 GLN HA H 1 4.009 0.020 A 14 GLN HBx H 1 2.171 0.020 A 14 GLN HBy H 1 2.171 0.020 A 14 GLN HGy H 1 2.516 0.020 A 14 GLN HGx H 1 2.452 0.020 A 14 GLN C C 13 179.080 0.400 A 14 GLN CA C 13 59.464 0.400 A 14 GLN CB C 13 28.260 0.400 A 14 GLN CG C 13 33.930 0.400 A 14 GLN N N 15 118.972 0.400 A 15 ARG H H 1 8.213 0.020 A 15 ARG HA H 1 4.133 0.020 A 15 ARG HBy H 1 1.957 0.020 A 15 ARG HBx H 1 1.860 0.020 A 15 ARG HDx H 1 3.233 0.020 A 15 ARG HDy H 1 3.233 0.020 A 15 ARG HGx H 1 1.688 0.020 A 15 ARG HGy H 1 1.688 0.020 A 15 ARG C C 13 179.166 0.400 A 15 ARG CA C 13 59.257 0.400 A 15 ARG CB C 13 30.179 0.400 A 15 ARG CD C 13 43.464 0.400 A 15 ARG CG C 13 27.629 0.400 A 15 ARG N N 15 118.886 0.400 A 16 ALA H H 1 7.995 0.020 A 16 ALA HA H 1 4.152 0.020 A 16 ALA HB% H 1 1.434 0.020 A 16 ALA C C 13 179.943 0.400 A 16 ALA CA C 13 55.463 0.400 A 16 ALA CB C 13 18.487 0.400 A 16 ALA N N 15 123.749 0.400 A 17 ILE H H 1 8.502 0.020 A 17 ILE HA H 1 3.689 0.020 A 17 ILE HB H 1 2.132 0.020 A 17 ILE HD1% H 1 0.923 0.020 A 17 ILE HG1x H 1 1.262 0.020 A 17 ILE HG1y H 1 1.262 0.020 A 17 ILE HG2% H 1 1.063 0.020 A 17 ILE C C 13 177.806 0.400 A 17 ILE CA C 13 64.962 0.400 A 17 ILE CB C 13 37.301 0.400 A 17 ILE CD1 C 13 13.986 0.400 A 17 ILE CG1 C 13 29.367 0.400 A 17 ILE CG2 C 13 18.388 0.400 A 17 ILE N N 15 118.122 0.400 A 18 GLN H H 1 8.246 0.020 A 18 GLN HA H 1 4.083 0.020 A 18 GLN HBy H 1 2.296 0.020 A 18 GLN HBx H 1 2.190 0.020 A 18 GLN HGy H 1 2.626 0.020 A 18 GLN HGx H 1 2.510 0.020 A 18 GLN C C 13 179.634 0.400 A 18 GLN CA C 13 59.337 0.400 A 18 GLN CB C 13 28.132 0.400 A 18 GLN CG C 13 34.199 0.400 A 18 GLN N N 15 118.875 0.400 A 19 SER H H 1 8.162 0.020 A 19 SER HA H 1 4.397 0.020 A 19 SER HBy H 1 4.112 0.020 A 19 SER HBx H 1 3.936 0.020 A 19 SER C C 13 176.170 0.400 A 19 SER CA C 13 61.884 0.400 A 19 SER CB C 13 62.941 0.400 A 19 SER N N 15 115.992 0.400 A 20 LEU H H 1 8.163 0.020 A 20 LEU HA H 1 4.055 0.020 A 20 LEU HBy H 1 2.074 0.020 A 20 LEU HBx H 1 1.691 0.020 A 20 LEU HDx% H 1 0.847 0.020 A 20 LEU HDy% H 1 0.907 0.020 A 20 LEU HG H 1 1.534 0.020 A 20 LEU C C 13 177.117 0.400 A 20 LEU CA C 13 58.706 0.400 A 20 LEU CB C 13 42.306 0.400 A 20 LEU CDy C 13 25.919 0.400 A 20 LEU CDx C 13 23.639 0.400 A 20 LEU CG C 13 27.430 0.400 A 20 LEU N N 15 125.380 0.400 A 21 VAL H H 1 8.502 0.020 A 21 VAL HA H 1 3.281 0.020 A 21 VAL HB H 1 2.100 0.020 A 21 VAL HGx% H 1 0.926 0.020 A 21 VAL HGy% H 1 0.926 0.020 A 21 VAL C C 13 178.381 0.400 A 21 VAL CA C 13 66.977 0.400 A 21 VAL CB C 13 31.778 0.400 A 21 VAL CGx C 13 21.262 0.400 A 21 VAL CGy C 13 23.398 0.400 A 21 VAL N N 15 118.615 0.400 A 22 HIS H H 1 7.993 0.020 A 22 HIS HA H 1 4.192 0.020 A 22 HIS HBx H 1 3.288 0.020 A 22 HIS HBy H 1 3.288 0.020 A 22 HIS HD2 H 1 7.281 0.020 A 22 HIS HE1 H 1 7.949 0.020 A 22 HIS C C 13 178.028 0.400 A 22 HIS CA C 13 60.232 0.400 A 22 HIS CB C 13 27.856 0.400 A 22 HIS CD2 C 13 129.185 0.400 A 22 HIS CE1 C 13 139.377 0.400 A 22 HIS N N 15 115.749 0.400 A 22 HIS ND1 N 15 172.704 0.400 A 22 HIS NE2 N 15 218.464 0.400 A 23 ALA H H 1 8.518 0.020 A 23 ALA HA H 1 4.144 0.020 A 23 ALA HB% H 1 1.567 0.020 A 23 ALA C C 13 179.120 0.400 A 23 ALA CA C 13 55.169 0.400 A 23 ALA CB C 13 19.759 0.400 A 23 ALA N N 15 121.090 0.400 A 24 ALA H H 1 8.196 0.020 A 24 ALA HA H 1 4.054 0.020 A 24 ALA HB% H 1 1.385 0.020 A 24 ALA C C 13 177.551 0.400 A 24 ALA CA C 13 54.024 0.400 A 24 ALA CB C 13 18.561 0.400 A 24 ALA N N 15 116.425 0.400 A 25 GLN H H 1 7.225 0.020 A 25 GLN HA H 1 4.474 0.020 A 25 GLN HBy H 1 2.153 0.020 A 25 GLN HBx H 1 1.988 0.020 A 25 GLN HGy H 1 2.464 0.020 A 25 GLN HGx H 1 2.278 0.020 A 25 GLN C C 13 174.424 0.400 A 25 GLN CA C 13 54.673 0.400 A 25 GLN CB C 13 30.752 0.400 A 25 GLN CG C 13 33.559 0.400 A 25 GLN N N 15 111.956 0.400 A 26 CYS H H 1 7.293 0.020 A 26 CYS HA H 1 3.881 0.020 A 26 CYS HBy H 1 2.524 0.020 A 26 CYS HBx H 1 2.055 0.020 A 26 CYS C C 13 176.185 0.400 A 26 CYS CA C 13 60.910 0.400 A 26 CYS CB C 13 29.251 0.400 A 26 CYS N N 15 124.261 0.400 A 27 ARG H H 1 8.864 0.020 A 27 ARG HA H 1 4.607 0.020 A 27 ARG HBx H 1 2.141 0.020 A 27 ARG HBy H 1 2.141 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 HGy H 1 1.682 0.020 A 27 ARG HGx H 1 1.630 0.020 A 27 ARG C C 13 175.181 0.400 A 27 ARG CA C 13 54.636 0.400 A 27 ARG CB C 13 30.114 0.400 A 27 ARG CD C 13 43.254 0.400 A 27 ARG CG C 13 26.906 0.400 A 27 ARG N N 15 129.514 0.400 A 28 ASN H H 1 7.925 0.020 A 28 ASN HA H 1 4.837 0.020 A 28 ASN HBy H 1 2.976 0.020 A 28 ASN HBx H 1 2.850 0.020 A 28 ASN C C 13 175.691 0.400 A 28 ASN CA C 13 51.880 0.400 A 28 ASN CB C 13 39.107 0.400 A 28 ASN N N 15 120.477 0.400 A 29 ALA H H 1 9.125 0.020 A 29 ALA HA H 1 4.091 0.020 A 29 ALA HB% H 1 1.433 0.020 A 29 ALA C C 13 178.031 0.400 A 29 ALA CA C 13 54.382 0.400 A 29 ALA CB C 13 18.471 0.400 A 29 ALA N N 15 130.246 0.400 A 30 ASN H H 1 8.068 0.020 A 30 ASN HA H 1 4.848 0.020 A 30 ASN HBy H 1 2.947 0.020 A 30 ASN HBx H 1 2.601 0.020 A 30 ASN C C 13 174.061 0.400 A 30 ASN CA C 13 51.925 0.400 A 30 ASN CB C 13 38.869 0.400 A 30 ASN N N 15 114.142 0.400 A 31 CYS H H 1 7.156 0.020 A 31 CYS HA H 1 4.022 0.020 A 31 CYS HBy H 1 3.017 0.020 A 31 CYS HBx H 1 2.974 0.020 A 31 CYS C C 13 176.806 0.400 A 31 CYS CA C 13 61.765 0.400 A 31 CYS CB C 13 30.032 0.400 A 31 CYS N N 15 123.049 0.400 A 32 SER H H 1 8.774 0.020 A 32 SER HA H 1 4.585 0.020 A 32 SER HBy H 1 4.112 0.020 A 32 SER HBx H 1 3.871 0.020 A 32 SER C C 13 174.803 0.400 A 32 SER CA C 13 57.984 0.400 A 32 SER CB C 13 64.168 0.400 A 32 SER N N 15 124.208 0.400 A 33 LEU H H 1 8.536 0.020 A 33 LEU HA H 1 4.481 0.020 A 33 LEU HBx H 1 1.433 0.020 A 33 LEU HBy H 1 1.595 0.020 A 33 LEU HDx% H 1 0.554 0.020 A 33 LEU HDy% H 1 0.598 0.020 A 33 LEU CA C 13 54.340 0.400 A 33 LEU CB C 13 40.815 0.400 A 33 LEU N N 15 128.845 0.400 A 34 PRO HA H 1 4.298 0.020 A 34 PRO HBy H 1 2.381 0.020 A 34 PRO HBx H 1 1.987 0.020 A 34 PRO HDx H 1 3.768 0.020 A 34 PRO HDy H 1 3.768 0.020 A 34 PRO HGx H 1 2.180 0.020 A 34 PRO HGy H 1 2.180 0.020 A 34 PRO C C 13 178.284 0.400 A 34 PRO CA C 13 65.427 0.400 A 34 PRO CB C 13 31.977 0.400 A 34 PRO CD C 13 51.029 0.400 A 34 PRO CG C 13 27.768 0.400 A 35 SER H H 1 8.335 0.020 A 35 SER HA H 1 4.223 0.020 A 35 SER HBy H 1 4.079 0.020 A 35 SER HBx H 1 3.981 0.020 A 35 SER C C 13 174.212 0.400 A 35 SER CA C 13 60.445 0.400 A 35 SER CB C 13 63.022 0.400 A 35 SER N N 15 111.830 0.400 A 36 CYS H H 1 7.500 0.020 A 36 CYS HA H 1 4.207 0.020 A 36 CYS HBy H 1 3.190 0.020 A 36 CYS HBx H 1 2.760 0.020 A 36 CYS C C 13 176.612 0.400 A 36 CYS CA C 13 64.050 0.400 A 36 CYS CB C 13 29.702 0.400 A 36 CYS N N 15 125.550 0.400 A 37 GLN H H 1 8.197 0.020 A 37 GLN HA H 1 3.962 0.020 A 37 GLN HBy H 1 2.160 0.020 A 37 GLN HBx H 1 2.105 0.020 A 37 GLN HGy H 1 2.528 0.020 A 37 GLN HGx H 1 2.459 0.020 A 37 GLN C C 13 179.370 0.400 A 37 GLN CA C 13 59.931 0.400 A 37 GLN CB C 13 28.205 0.400 A 37 GLN CG C 13 34.166 0.400 A 37 GLN N N 15 115.839 0.400 A 38 LYS H H 1 7.833 0.020 A 38 LYS HA H 1 4.019 0.020 A 38 LYS HBx H 1 1.631 0.020 A 38 LYS HBy H 1 1.631 0.020 A 38 LYS HDx H 1 1.271 0.020 A 38 LYS HDy H 1 1.271 0.020 A 38 LYS HEx H 1 2.781 0.020 A 38 LYS HEy H 1 2.781 0.020 A 38 LYS HGx H 1 1.451 0.020 A 38 LYS HGy H 1 1.451 0.020 A 38 LYS C C 13 179.034 0.400 A 38 LYS CA C 13 59.568 0.400 A 38 LYS CB C 13 32.662 0.400 A 38 LYS CD C 13 29.415 0.400 A 38 LYS CE C 13 42.077 0.400 A 38 LYS CG C 13 25.427 0.400 A 38 LYS N N 15 116.942 0.400 A 39 MET H H 1 8.308 0.020 A 39 MET HA H 1 4.558 0.020 A 39 MET HBy H 1 2.341 0.020 A 39 MET HBx H 1 1.897 0.020 A 39 MET HGy H 1 2.713 0.020 A 39 MET HGx H 1 2.566 0.020 A 39 MET C C 13 179.387 0.400 A 39 MET CA C 13 56.813 0.400 A 39 MET CB C 13 31.971 0.400 A 39 MET CG C 13 33.522 0.400 A 39 MET N N 15 117.978 0.400 A 40 LYS H H 1 9.519 0.020 A 40 LYS HA H 1 3.807 0.020 A 40 LYS HBy H 1 2.127 0.020 A 40 LYS HBx H 1 1.971 0.020 A 40 LYS HDy H 1 1.842 0.020 A 40 LYS HDx H 1 1.669 0.020 A 40 LYS HEy H 1 3.256 0.020 A 40 LYS HEx H 1 3.120 0.020 A 40 LYS HGx H 1 1.391 0.020 A 40 LYS HGy H 1 1.391 0.020 A 40 LYS C C 13 179.660 0.400 A 40 LYS CA C 13 61.460 0.400 A 40 LYS CB C 13 32.743 0.400 A 40 LYS CD C 13 30.165 0.400 A 40 LYS CE C 13 42.911 0.400 A 40 LYS CG C 13 27.434 0.400 A 40 LYS N N 15 121.989 0.400 A 41 ARG H H 1 7.541 0.020 A 41 ARG HA H 1 4.183 0.020 A 41 ARG HBy H 1 2.154 0.020 A 41 ARG HBx H 1 2.001 0.020 A 41 ARG HDx H 1 3.279 0.020 A 41 ARG HDy H 1 3.279 0.020 A 41 ARG HGx H 1 1.776 0.020 A 41 ARG HGy H 1 1.776 0.020 A 41 ARG C C 13 179.762 0.400 A 41 ARG CA C 13 59.488 0.400 A 41 ARG CB C 13 30.016 0.400 A 41 ARG CD C 13 43.713 0.400 A 41 ARG CG C 13 27.787 0.400 A 41 ARG N N 15 117.775 0.400 A 42 VAL H H 1 7.592 0.020 A 42 VAL HA H 1 3.725 0.020 A 42 VAL HB H 1 2.490 0.020 A 42 VAL HGx% H 1 1.125 0.020 A 42 VAL HGy% H 1 0.964 0.020 A 42 VAL C C 13 177.521 0.400 A 42 VAL CA C 13 66.649 0.400 A 42 VAL CB C 13 31.514 0.400 A 42 VAL CGx C 13 22.981 0.400 A 42 VAL N N 15 121.191 0.400 A 43 VAL H H 1 8.396 0.020 A 43 VAL HA H 1 3.493 0.020 A 43 VAL HB H 1 2.223 0.020 A 43 VAL HGx% H 1 0.948 0.020 A 43 VAL HGy% H 1 0.858 0.020 A 43 VAL C C 13 179.025 0.400 A 43 VAL CA C 13 67.389 0.400 A 43 VAL CB C 13 31.520 0.400 A 43 VAL CGy C 13 23.151 0.400 A 43 VAL CGx C 13 21.522 0.400 A 43 VAL N N 15 120.436 0.400 A 44 GLN H H 1 8.459 0.020 A 44 GLN HA H 1 3.968 0.020 A 44 GLN HBx H 1 2.154 0.020 A 44 GLN HBy H 1 2.154 0.020 A 44 GLN HGx H 1 2.504 0.020 A 44 GLN HGy H 1 2.504 0.020 A 44 GLN C C 13 178.896 0.400 A 44 GLN CA C 13 58.955 0.400 A 44 GLN CB C 13 28.122 0.400 A 44 GLN CG C 13 33.811 0.400 A 44 GLN N N 15 119.210 0.400 A 45 HIS H H 1 8.079 0.020 A 45 HIS HA H 1 4.269 0.020 A 45 HIS HBy H 1 3.876 0.020 A 45 HIS HBx H 1 3.356 0.020 A 45 HIS HD2 H 1 6.905 0.020 A 45 HIS HE1 H 1 8.093 0.020 A 45 HIS C C 13 177.855 0.400 A 45 HIS CA C 13 59.947 0.400 A 45 HIS CB C 13 27.256 0.400 A 45 HIS CD2 C 13 128.834 0.400 A 45 HIS CE1 C 13 140.154 0.400 A 45 HIS N N 15 118.854 0.400 A 45 HIS ND1 N 15 173.161 0.400 A 45 HIS NE2 N 15 220.450 0.400 A 46 THR H H 1 7.798 0.020 A 46 THR HA H 1 3.828 0.020 A 46 THR HB H 1 4.185 0.020 A 46 THR HG2% H 1 1.648 0.020 A 46 THR C C 13 175.849 0.400 A 46 THR CA C 13 65.670 0.400 A 46 THR CB C 13 69.552 0.400 A 46 THR CG2 C 13 22.306 0.400 A 46 THR N N 15 109.889 0.400 A 47 LYS H H 1 7.320 0.020 A 47 LYS HA H 1 4.067 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 HDy H 1 1.624 0.020 A 47 LYS HDx H 1 1.570 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 1.423 0.020 A 47 LYS HGy H 1 1.423 0.020 A 47 LYS C C 13 177.801 0.400 A 47 LYS CA C 13 58.656 0.400 A 47 LYS CB C 13 32.131 0.400 A 47 LYS CD C 13 29.167 0.400 A 47 LYS CE C 13 42.236 0.400 A 47 LYS CG C 13 25.370 0.400 A 47 LYS N N 15 120.281 0.400 A 48 GLY H H 1 7.152 0.020 A 48 GLY HAy H 1 4.368 0.020 A 48 GLY HAx H 1 3.634 0.020 A 48 GLY C C 13 173.798 0.400 A 48 GLY CA C 13 44.723 0.400 A 48 GLY N N 15 103.951 0.400 A 49 CYS H H 1 6.921 0.020 A 49 CYS HA H 1 3.968 0.020 A 49 CYS HBy H 1 2.694 0.020 A 49 CYS HBx H 1 2.047 0.020 A 49 CYS C C 13 176.789 0.400 A 49 CYS CA C 13 61.186 0.400 A 49 CYS CB C 13 29.761 0.400 A 49 CYS N N 15 123.218 0.400 A 50 LYS H H 1 8.985 0.020 A 50 LYS HA H 1 4.504 0.020 A 50 LYS HBy H 1 2.061 0.020 A 50 LYS HBx H 1 1.838 0.020 A 50 LYS HDy H 1 1.724 0.020 A 50 LYS HDx H 1 1.616 0.020 A 50 LYS HEx H 1 3.057 0.020 A 50 LYS HEy H 1 3.057 0.020 A 50 LYS HGy H 1 1.571 0.020 A 50 LYS HGx H 1 1.540 0.020 A 50 LYS C C 13 177.585 0.400 A 50 LYS CA C 13 56.662 0.400 A 50 LYS CB C 13 32.876 0.400 A 50 LYS CD C 13 28.886 0.400 A 50 LYS CE C 13 42.294 0.400 A 50 LYS CG C 13 25.085 0.400 A 50 LYS N N 15 128.198 0.400 A 51 ARG H H 1 8.500 0.020 A 51 ARG HA H 1 4.400 0.020 A 51 ARG HBx H 1 1.843 0.020 A 51 ARG HBy H 1 1.843 0.020 A 51 ARG HDx H 1 3.285 0.020 A 51 ARG HDy H 1 3.285 0.020 A 51 ARG HGx H 1 1.706 0.020 A 51 ARG HGy H 1 1.706 0.020 A 51 ARG C C 13 176.884 0.400 A 51 ARG CA C 13 57.639 0.400 A 51 ARG CB C 13 31.638 0.400 A 51 ARG CD C 13 43.746 0.400 A 51 ARG CG C 13 27.736 0.400 A 51 ARG N N 15 122.262 0.400 A 52 LYS H H 1 8.436 0.020 A 52 LYS HA H 1 4.496 0.020 A 52 LYS HBy H 1 2.297 0.020 A 52 LYS HBx H 1 2.053 0.020 A 52 LYS HDy H 1 1.775 0.020 A 52 LYS HDx H 1 1.610 0.020 A 52 LYS HEx H 1 3.154 0.020 A 52 LYS HEy H 1 3.154 0.020 A 52 LYS HGx H 1 1.378 0.020 A 52 LYS HGy H 1 1.378 0.020 A 52 LYS C C 13 177.238 0.400 A 52 LYS CA C 13 57.811 0.400 A 52 LYS CB C 13 32.249 0.400 A 52 LYS CD C 13 29.749 0.400 A 52 LYS CE C 13 42.714 0.400 A 52 LYS CG C 13 24.873 0.400 A 52 LYS N N 15 118.845 0.400 A 53 THR H H 1 7.742 0.020 A 53 THR HA H 1 4.130 0.020 A 53 THR HB H 1 4.221 0.020 A 53 THR HG2% H 1 1.181 0.020 A 53 THR CA C 13 63.867 0.400 A 53 THR CB C 13 68.818 0.400 A 53 THR CG2 C 13 22.195 0.400 A 53 THR N N 15 112.914 0.400 A 54 ASN HA H 1 4.725 0.020 A 54 ASN HBx H 1 2.871 0.020 A 54 ASN HBy H 1 2.871 0.020 A 54 ASN C C 13 175.971 0.400 A 54 ASN CA C 13 53.767 0.400 A 54 ASN CB C 13 38.353 0.400 A 55 GLY H H 1 7.959 0.020 A 55 GLY HAx H 1 3.976 0.020 A 55 GLY HAy H 1 3.976 0.020 A 55 GLY C C 13 175.183 0.400 A 55 GLY CA C 13 45.849 0.400 A 55 GLY N N 15 107.368 0.400 A 56 GLY H H 1 7.783 0.020 A 56 GLY HAy H 1 3.979 0.020 A 56 GLY HAx H 1 3.879 0.020 A 56 GLY C C 13 173.235 0.400 A 56 GLY CA C 13 45.549 0.400 A 56 GLY N N 15 107.009 0.400 A 57 CYS H H 1 8.011 0.020 A 57 CYS HBy H 1 2.944 0.020 A 57 CYS HBx H 1 2.660 0.020 A 57 CYS CA C 13 55.578 0.400 A 57 CYS CB C 13 30.748 0.400 A 57 CYS N N 15 122.544 0.400 A 58 PRO HA H 1 4.263 0.020 A 58 PRO HBy H 1 2.279 0.020 A 58 PRO HBx H 1 1.804 0.020 A 58 PRO HDx H 1 4.017 0.020 A 58 PRO HDy H 1 4.017 0.020 A 58 PRO HGx H 1 2.059 0.020 A 58 PRO C C 13 178.527 0.400 A 58 PRO CA C 13 65.063 0.400 A 58 PRO CB C 13 32.526 0.400 A 58 PRO CD C 13 51.530 0.400 A 58 PRO CG C 13 27.381 0.400 A 59 ILE H H 1 7.802 0.020 A 59 ILE HA H 1 3.686 0.020 A 59 ILE HB H 1 1.521 0.020 A 59 ILE HD1% H 1 0.437 0.020 A 59 ILE HG1x H 1 1.379 0.020 A 59 ILE HG1y H 1 1.379 0.020 A 59 ILE HG2% H 1 0.681 0.020 A 59 ILE C C 13 178.195 0.400 A 59 ILE CA C 13 64.745 0.400 A 59 ILE CB C 13 38.922 0.400 A 59 ILE CD1 C 13 12.893 0.400 A 59 ILE CG1 C 13 28.227 0.400 A 59 ILE CG2 C 13 18.260 0.400 A 59 ILE N N 15 120.519 0.400 A 60 CYS H H 1 8.914 0.020 A 60 CYS HA H 1 4.081 0.020 A 60 CYS HBy H 1 2.963 0.020 A 60 CYS HBx H 1 2.763 0.020 A 60 CYS C C 13 177.474 0.400 A 60 CYS CA C 13 66.506 0.400 A 60 CYS CB C 13 29.203 0.400 A 60 CYS N N 15 123.780 0.400 A 61 LYS H H 1 7.979 0.020 A 61 LYS HA H 1 3.832 0.020 A 61 LYS HBy H 1 1.812 0.020 A 61 LYS HBx H 1 1.684 0.020 A 61 LYS HDy H 1 1.584 0.020 A 61 LYS HDx H 1 1.479 0.020 A 61 LYS HEx H 1 2.858 0.020 A 61 LYS HEy H 1 2.858 0.020 A 61 LYS HGx H 1 1.305 0.020 A 61 LYS HGy H 1 1.305 0.020 A 61 LYS C C 13 178.990 0.400 A 61 LYS CA C 13 60.073 0.400 A 61 LYS CB C 13 32.605 0.400 A 61 LYS CD C 13 29.483 0.400 A 61 LYS CE C 13 41.941 0.400 A 61 LYS CG C 13 25.474 0.400 A 61 LYS N N 15 116.676 0.400 A 62 GLN H H 1 7.232 0.020 A 62 GLN HA H 1 4.124 0.020 A 62 GLN HGx H 1 2.315 0.020 A 62 GLN HGy H 1 2.315 0.020 A 62 GLN C C 13 177.948 0.400 A 62 GLN CA C 13 58.404 0.400 A 62 GLN CB C 13 28.431 0.400 A 62 GLN CG C 13 33.849 0.400 A 62 GLN N N 15 117.187 0.400 A 63 LEU H H 1 8.081 0.020 A 63 LEU HA H 1 4.133 0.020 A 63 LEU HBx H 1 1.902 0.020 A 63 LEU HBy H 1 1.923 0.020 A 63 LEU HDx% H 1 1.005 0.020 A 63 LEU HDy% H 1 1.005 0.020 A 63 LEU C C 13 179.129 0.400 A 63 LEU CA C 13 57.792 0.400 A 63 LEU CB C 13 41.747 0.400 A 63 LEU CDx C 13 25.097 0.400 A 63 LEU CG C 13 27.579 0.400 A 63 LEU N N 15 119.816 0.400 A 64 ILE H H 1 8.434 0.020 A 64 ILE HA H 1 3.509 0.020 A 64 ILE HB H 1 1.405 0.020 A 64 ILE HD1% H 1 0.365 0.020 A 64 ILE HG1x H 1 0.256 0.020 A 64 ILE HG1y H 1 1.042 0.020 A 64 ILE HG2% H 1 0.738 0.020 A 64 ILE C C 13 176.806 0.400 A 64 ILE CA C 13 65.581 0.400 A 64 ILE CB C 13 37.394 0.400 A 64 ILE CD1 C 13 13.502 0.400 A 64 ILE CG1 C 13 29.956 0.400 A 64 ILE CG2 C 13 17.183 0.400 A 64 ILE N N 15 120.346 0.400 A 65 ALA H H 1 7.224 0.020 A 65 ALA HA H 1 4.095 0.020 A 65 ALA HB% H 1 1.503 0.020 A 65 ALA C C 13 180.254 0.400 A 65 ALA CA C 13 55.237 0.400 A 65 ALA CB C 13 18.368 0.400 A 65 ALA N N 15 122.118 0.400 A 66 LEU H H 1 7.826 0.020 A 66 LEU HA H 1 4.095 0.020 A 66 LEU HBy H 1 1.770 0.020 A 66 LEU HBx H 1 1.645 0.020 A 66 LEU HDx% H 1 0.746 0.020 A 66 LEU HDy% H 1 0.746 0.020 A 66 LEU C C 13 178.900 0.400 A 66 LEU CA C 13 57.965 0.400 A 66 LEU CB C 13 42.422 0.400 A 66 LEU CDx C 13 24.946 0.400 A 66 LEU CG C 13 26.864 0.400 A 66 LEU N N 15 117.910 0.400 A 67 ALA H H 1 8.863 0.020 A 67 ALA HA H 1 3.919 0.020 A 67 ALA HB% H 1 1.675 0.020 A 67 ALA C C 13 179.445 0.400 A 67 ALA CA C 13 55.808 0.400 A 67 ALA CB C 13 19.076 0.400 A 67 ALA N N 15 121.392 0.400 A 68 ALA H H 1 8.585 0.020 A 68 ALA HA H 1 4.087 0.020 A 68 ALA HB% H 1 1.497 0.020 A 68 ALA C C 13 179.685 0.400 A 68 ALA CA C 13 55.559 0.400 A 68 ALA CB C 13 18.049 0.400 A 68 ALA N N 15 120.019 0.400 A 69 TYR H H 1 7.697 0.020 A 69 TYR HA H 1 4.170 0.020 A 69 TYR HBy H 1 3.237 0.020 A 69 TYR HBx H 1 3.157 0.020 A 69 TYR HD1 H 1 7.167 0.020 A 69 TYR HD2 H 1 7.167 0.020 A 69 TYR HE1 H 1 6.839 0.020 A 69 TYR HE2 H 1 6.839 0.020 A 69 TYR C C 13 178.620 0.400 A 69 TYR CA C 13 61.533 0.400 A 69 TYR CB C 13 38.566 0.400 A 69 TYR CDx C 13 133.148 0.400 A 69 TYR CDy C 13 133.148 0.400 A 69 TYR CEx C 13 118.217 0.400 A 69 TYR CEy C 13 118.217 0.400 A 69 TYR N N 15 118.291 0.400 A 70 HIS H H 1 8.063 0.020 A 70 HIS HA H 1 4.396 0.020 A 70 HIS HBy H 1 3.548 0.020 A 70 HIS HBx H 1 3.224 0.020 A 70 HIS HD2 H 1 7.183 0.020 A 70 HIS HE1 H 1 8.044 0.020 A 70 HIS C C 13 176.785 0.400 A 70 HIS CA C 13 58.763 0.400 A 70 HIS CB C 13 27.849 0.400 A 70 HIS CD2 C 13 129.582 0.400 A 70 HIS CE1 C 13 140.121 0.400 A 70 HIS N N 15 118.808 0.400 A 70 HIS ND1 N 15 172.386 0.400 A 70 HIS NE2 N 15 221.464 0.400 A 71 ALA H H 1 9.249 0.020 A 71 ALA HA H 1 3.907 0.020 A 71 ALA HB% H 1 1.581 0.020 A 71 ALA C C 13 178.867 0.400 A 71 ALA CA C 13 54.824 0.400 A 71 ALA CB C 13 19.787 0.400 A 71 ALA N N 15 122.325 0.400 A 72 LYS H H 1 6.937 0.020 A 72 LYS HA H 1 3.817 0.020 A 72 LYS HBx H 1 1.420 0.020 A 72 LYS HBy H 1 1.420 0.020 A 72 LYS HDx H 1 1.558 0.020 A 72 LYS HDy H 1 1.558 0.020 A 72 LYS HEx H 1 2.870 0.020 A 72 LYS HEy H 1 2.870 0.020 A 72 LYS HGy H 1 1.255 0.020 A 72 LYS HGx H 1 1.151 0.020 A 72 LYS C C 13 176.562 0.400 A 72 LYS CA C 13 58.296 0.400 A 72 LYS CB C 13 32.514 0.400 A 72 LYS CD C 13 29.029 0.400 A 72 LYS CE C 13 42.097 0.400 A 72 LYS CG C 13 24.484 0.400 A 72 LYS N N 15 114.337 0.400 A 73 HIS H H 1 7.072 0.020 A 73 HIS HA H 1 4.812 0.020 A 73 HIS HBy H 1 3.410 0.020 A 73 HIS HBx H 1 2.904 0.020 A 73 HIS HD2 H 1 7.089 0.020 A 73 HIS HE1 H 1 8.033 0.020 A 73 HIS C C 13 173.605 0.400 A 73 HIS CA C 13 54.355 0.400 A 73 HIS CB C 13 30.327 0.400 A 73 HIS CD2 C 13 121.024 0.400 A 73 HIS CE1 C 13 137.439 0.400 A 73 HIS N N 15 112.753 0.400 A 73 HIS ND1 N 15 196.679 0.400 A 73 HIS NE2 N 15 183.298 0.400 A 74 CYS H H 1 6.988 0.020 A 74 CYS HA H 1 4.115 0.020 A 74 CYS HBy H 1 2.453 0.020 A 74 CYS HBx H 1 1.755 0.020 A 74 CYS C C 13 176.135 0.400 A 74 CYS CA C 13 60.113 0.400 A 74 CYS CB C 13 30.116 0.400 A 74 CYS N N 15 123.360 0.400 A 75 GLN H H 1 9.115 0.020 A 75 GLN HA H 1 4.665 0.020 A 75 GLN HBx H 1 1.837 0.020 A 75 GLN HBy H 1 1.837 0.020 A 75 GLN HGx H 1 2.324 0.020 A 75 GLN HGy H 1 2.324 0.020 A 75 GLN C C 13 175.548 0.400 A 75 GLN CA C 13 54.654 0.400 A 75 GLN CB C 13 29.362 0.400 A 75 GLN CG C 13 33.918 0.400 A 75 GLN N N 15 128.642 0.400 A 76 GLU H H 1 8.219 0.020 A 76 GLU HA H 1 4.391 0.020 A 76 GLU HBy H 1 2.024 0.020 A 76 GLU HBx H 1 1.996 0.020 A 76 GLU HGy H 1 2.389 0.020 A 76 GLU HGx H 1 2.333 0.020 A 76 GLU C C 13 176.623 0.400 A 76 GLU CA C 13 55.826 0.400 A 76 GLU CB C 13 30.449 0.400 A 76 GLU CG C 13 35.848 0.400 A 76 GLU N N 15 122.785 0.400 A 77 ASN H H 1 8.876 0.020 A 77 ASN HA H 1 4.502 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 C C 13 175.821 0.400 A 77 ASN CA C 13 55.168 0.400 A 77 ASN CB C 13 38.535 0.400 A 77 ASN N N 15 125.473 0.400 A 78 LYS H H 1 8.732 0.020 A 78 LYS HA H 1 4.423 0.020 A 78 LYS HBx H 1 1.913 0.020 A 78 LYS HBy H 1 1.913 0.020 A 78 LYS HDx H 1 1.653 0.020 A 78 LYS HDy H 1 1.653 0.020 A 78 LYS HEx H 1 2.981 0.020 A 78 LYS HEy H 1 2.981 0.020 A 78 LYS HGx H 1 1.336 0.020 A 78 LYS HGy H 1 1.336 0.020 A 78 LYS C C 13 174.893 0.400 A 78 LYS CA C 13 54.617 0.400 A 78 LYS CB C 13 31.006 0.400 A 78 LYS CD C 13 29.171 0.400 A 78 LYS CE C 13 42.204 0.400 A 78 LYS CG C 13 24.740 0.400 A 78 LYS N N 15 120.776 0.400 A 79 CYS H H 1 6.950 0.020 A 79 CYS HA H 1 4.303 0.020 A 79 CYS HBy H 1 2.949 0.020 A 79 CYS HBx H 1 2.837 0.020 A 79 CYS CA C 13 57.782 0.400 A 79 CYS CB C 13 30.687 0.400 A 79 CYS N N 15 123.860 0.400 A 80 PRO HA H 1 4.678 0.020 A 80 PRO HBy H 1 2.094 0.020 A 80 PRO HBx H 1 2.038 0.020 A 80 PRO HDy H 1 4.144 0.020 A 80 PRO HDx H 1 3.855 0.020 A 80 PRO HGx H 1 1.663 0.020 A 80 PRO HGy H 1 1.663 0.020 A 80 PRO C C 13 176.818 0.400 A 80 PRO CA C 13 62.950 0.400 A 80 PRO CB C 13 32.106 0.400 A 80 PRO CD C 13 51.367 0.400 A 80 PRO CG C 13 26.590 0.400 A 81 VAL H H 1 9.023 0.020 A 81 VAL HA H 1 3.525 0.020 A 81 VAL HB H 1 2.192 0.020 A 81 VAL HGx% H 1 0.681 0.020 A 81 VAL HGy% H 1 0.407 0.020 A 81 VAL CA C 13 62.488 0.400 A 81 VAL CB C 13 31.554 0.400 A 81 VAL CGx C 13 18.302 0.400 A 81 VAL CGy C 13 24.119 0.400 A 81 VAL N N 15 127.712 0.400 A 82 PRO HA H 1 3.980 0.020 A 82 PRO HBx H 1 1.901 0.020 A 82 PRO HBy H 1 1.901 0.020 A 82 PRO C C 13 174.654 0.400 A 82 PRO CA C 13 64.198 0.400 A 82 PRO CB C 13 31.644 0.400 A 82 PRO CD C 13 50.506 0.400 A 82 PRO CG C 13 28.338 0.400 A 83 PHE H H 1 7.977 0.020 A 83 PHE HA H 1 4.219 0.020 A 83 PHE HBy H 1 3.546 0.020 A 83 PHE HBx H 1 3.220 0.020 A 83 PHE HD1 H 1 7.077 0.020 A 83 PHE HD2 H 1 7.077 0.020 A 83 PHE HE1 H 1 7.339 0.020 A 83 PHE HE2 H 1 7.339 0.020 A 83 PHE HZ H 1 7.403 0.020 A 83 PHE C C 13 175.242 0.400 A 83 PHE CA C 13 60.939 0.400 A 83 PHE CB C 13 37.328 0.400 A 83 PHE CDx C 13 131.802 0.400 A 83 PHE CDy C 13 131.802 0.400 A 83 PHE CEx C 13 131.001 0.400 A 83 PHE CEy C 13 131.001 0.400 A 83 PHE CZ C 13 129.093 0.400 A 83 PHE N N 15 111.431 0.400 A 84 CYS H H 1 7.768 0.020 A 84 CYS HA H 1 3.978 0.020 A 84 CYS HBy H 1 3.235 0.020 A 84 CYS HBx H 1 2.762 0.020 A 84 CYS C C 13 176.906 0.400 A 84 CYS CA C 13 65.021 0.400 A 84 CYS CB C 13 29.871 0.400 A 84 CYS N N 15 124.129 0.400 A 85 LEU H H 1 8.215 0.020 A 85 LEU HA H 1 4.023 0.020 A 85 LEU HBx H 1 1.762 0.020 A 85 LEU HBy H 1 1.762 0.020 A 85 LEU HDx% H 1 0.952 0.020 A 85 LEU HDy% H 1 0.952 0.020 A 85 LEU HG H 1 1.552 0.020 A 85 LEU C C 13 179.341 0.400 A 85 LEU CA C 13 58.397 0.400 A 85 LEU CB C 13 41.098 0.400 A 85 LEU CDx C 13 24.776 0.400 A 85 LEU CG C 13 27.220 0.400 A 85 LEU N N 15 114.523 0.400 A 86 ASN H H 1 7.756 0.020 A 86 ASN HA H 1 4.394 0.020 A 86 ASN HBx H 1 2.881 0.020 A 86 ASN HBy H 1 2.881 0.020 A 86 ASN C C 13 177.698 0.400 A 86 ASN CA C 13 56.672 0.400 A 86 ASN CB C 13 38.861 0.400 A 86 ASN N N 15 115.678 0.400 A 87 ILE H H 1 8.457 0.020 A 87 ILE HA H 1 3.700 0.020 A 87 ILE HB H 1 2.018 0.020 A 87 ILE HD1% H 1 0.782 0.020 A 87 ILE HG1x H 1 1.678 0.020 A 87 ILE HG1y H 1 1.678 0.020 A 87 ILE HG2% H 1 0.851 0.020 A 87 ILE C C 13 179.352 0.400 A 87 ILE CA C 13 64.583 0.400 A 87 ILE CB C 13 37.823 0.400 A 87 ILE CD1 C 13 13.528 0.400 A 87 ILE CG1 C 13 28.994 0.400 A 87 ILE CG2 C 13 17.864 0.400 A 87 ILE N N 15 121.044 0.400 A 88 LYS H H 1 8.589 0.020 A 88 LYS HA H 1 3.991 0.020 A 88 LYS HBy H 1 2.007 0.020 A 88 LYS HBx H 1 1.950 0.020 A 88 LYS HDy H 1 1.815 0.020 A 88 LYS HDx H 1 1.689 0.020 A 88 LYS HGx H 1 1.426 0.020 A 88 LYS HGy H 1 1.426 0.020 A 88 LYS C C 13 179.078 0.400 A 88 LYS CA C 13 60.327 0.400 A 88 LYS CB C 13 32.593 0.400 A 88 LYS CD C 13 30.629 0.400 A 88 LYS CE C 13 41.939 0.400 A 88 LYS CG C 13 26.176 0.400 A 88 LYS N N 15 120.209 0.400 A 89 GLN H H 1 8.024 0.020 A 89 GLN HA H 1 4.196 0.020 A 89 GLN HBx H 1 2.171 0.020 A 89 GLN HBy H 1 2.171 0.020 A 89 GLN HGy H 1 2.605 0.020 A 89 GLN HGx H 1 2.433 0.020 A 89 GLN C C 13 177.339 0.400 A 89 GLN CA C 13 57.607 0.400 A 89 GLN CB C 13 28.950 0.400 A 89 GLN CG C 13 34.275 0.400 A 89 GLN N N 15 116.446 0.400 A 90 LYS H H 1 7.871 0.020 A 90 LYS HA H 1 4.298 0.020 A 90 LYS HBx H 1 1.954 0.020 A 90 LYS HBy H 1 1.954 0.020 A 90 LYS HDx H 1 1.694 0.020 A 90 LYS HDy H 1 1.694 0.020 A 90 LYS HEx H 1 3.003 0.020 A 90 LYS HEy H 1 3.003 0.020 A 90 LYS HGy H 1 1.556 0.020 A 90 LYS HGx H 1 1.505 0.020 A 90 LYS C C 13 177.568 0.400 A 90 LYS CA C 13 57.128 0.400 A 90 LYS CB C 13 32.914 0.400 A 90 LYS CD C 13 29.074 0.400 A 90 LYS CE C 13 42.234 0.400 A 90 LYS CG C 13 25.078 0.400 A 90 LYS N N 15 118.180 0.400 A 91 GLY H H 1 8.116 0.020 A 91 GLY HAy H 1 4.116 0.020 A 91 GLY HAx H 1 3.945 0.020 A 91 GLY C C 13 174.202 0.400 A 91 GLY CA C 13 45.615 0.400 A 91 GLY N N 15 107.979 0.400 A 92 THR H H 1 7.947 0.020 A 92 THR HA H 1 4.351 0.020 A 92 THR HG2% H 1 1.153 0.020 A 92 THR C C 13 174.544 0.400 A 92 THR CA C 13 61.775 0.400 A 92 THR CB C 13 69.752 0.400 A 92 THR CG2 C 13 21.623 0.400 A 92 THR N N 15 113.274 0.400 A 93 ILE H H 1 8.144 0.020 A 93 ILE HA H 1 4.157 0.020 A 93 ILE HB H 1 1.839 0.020 A 93 ILE HD1% H 1 0.821 0.020 A 93 ILE HG1y H 1 1.444 0.020 A 93 ILE HG1x H 1 1.145 0.020 A 93 ILE HG2% H 1 0.852 0.020 A 93 ILE C C 13 176.246 0.400 A 93 ILE CA C 13 61.396 0.400 A 93 ILE CB C 13 38.840 0.400 A 93 ILE CD1 C 13 13.271 0.400 A 93 ILE CG1 C 13 27.444 0.400 A 93 ILE CG2 C 13 17.797 0.400 A 93 ILE N N 15 122.326 0.400 A 94 GLU H H 1 8.469 0.020 A 94 GLU HA H 1 4.239 0.020 A 94 GLU HBy H 1 2.028 0.020 A 94 GLU HBx H 1 1.939 0.020 A 94 GLU HGx H 1 2.251 0.020 A 94 GLU HGy H 1 2.251 0.020 A 94 GLU C C 13 176.929 0.400 A 94 GLU CA C 13 57.047 0.400 A 94 GLU CB C 13 30.147 0.400 A 94 GLU CG C 13 36.354 0.400 A 94 GLU N N 15 124.282 0.400 A 95 GLY H H 1 8.359 0.020 A 95 GLY HAx H 1 3.941 0.020 A 95 GLY HAy H 1 3.941 0.020 A 95 GLY C C 13 174.377 0.400 A 95 GLY CA C 13 45.539 0.400 A 95 GLY N N 15 109.877 0.400 A 96 ARG H H 1 8.156 0.020 A 96 ARG HA H 1 4.360 0.020 A 96 ARG HBy H 1 1.899 0.020 A 96 ARG HBx H 1 1.758 0.020 A 96 ARG HDx H 1 3.161 0.020 A 96 ARG HDy H 1 3.161 0.020 A 96 ARG HGx H 1 1.620 0.020 A 96 ARG HGy H 1 1.620 0.020 A 96 ARG C C 13 176.920 0.400 A 96 ARG CA C 13 56.255 0.400 A 96 ARG CB C 13 30.789 0.400 A 96 ARG CD C 13 43.460 0.400 A 96 ARG CG C 13 27.151 0.400 A 96 ARG N N 15 120.181 0.400 A 97 GLY H H 1 8.535 0.020 A 97 GLY HAx H 1 3.967 0.020 A 97 GLY HAy H 1 3.967 0.020 A 97 GLY C C 13 174.156 0.400 A 97 GLY CA C 13 45.582 0.400 A 97 GLY N N 15 109.645 0.400 A 98 ASN H H 1 8.280 0.020 A 98 ASN HA H 1 4.670 0.020 A 98 ASN HBx H 1 2.753 0.020 A 98 ASN HBy H 1 2.753 0.020 A 98 ASN C C 13 175.472 0.400 A 98 ASN CA C 13 53.512 0.400 A 98 ASN CB C 13 38.899 0.400 A 98 ASN N N 15 118.472 0.400 A 99 GLU H H 1 8.568 0.020 A 99 GLU HA H 1 4.184 0.020 A 99 GLU HBy H 1 1.902 0.020 A 99 GLU HBx H 1 1.850 0.020 A 99 GLU HGy H 1 2.119 0.020 A 99 GLU HGx H 1 2.078 0.020 A 99 GLU C C 13 176.174 0.400 A 99 GLU CA C 13 57.275 0.400 A 99 GLU CB C 13 29.883 0.400 A 99 GLU CG C 13 36.203 0.400 A 99 GLU N N 15 120.852 0.400 A 100 PHE H H 1 8.102 0.020 A 100 PHE HA H 1 4.613 0.020 A 100 PHE HBy H 1 3.120 0.020 A 100 PHE HBx H 1 3.001 0.020 A 100 PHE HD1 H 1 7.208 0.020 A 100 PHE HD2 H 1 7.208 0.020 A 100 PHE HE1 H 1 7.281 0.020 A 100 PHE HE2 H 1 7.281 0.020 A 100 PHE HZ H 1 7.226 0.020 A 100 PHE C C 13 175.156 0.400 A 100 PHE CA C 13 57.660 0.400 A 100 PHE CB C 13 39.570 0.400 A 100 PHE CDy C 13 131.911 0.400 A 100 PHE CDx C 13 131.837 0.400 A 100 PHE CEx C 13 131.257 0.400 A 100 PHE CEy C 13 131.257 0.400 A 100 PHE CZ C 13 129.620 0.400 A 100 PHE N N 15 119.890 0.400 A 101 LEU H H 1 7.869 0.020 A 101 LEU HA H 1 4.348 0.020 A 101 LEU HBx H 1 1.466 0.020 A 101 LEU HBy H 1 1.466 0.020 A 101 LEU HDx% H 1 0.796 0.020 A 101 LEU HDy% H 1 0.796 0.020 A 101 LEU HG H 1 1.505 0.020 A 101 LEU C C 13 175.949 0.400 A 101 LEU CA C 13 54.573 0.400 A 101 LEU CB C 13 42.752 0.400 A 101 LEU CDy C 13 25.272 0.400 A 101 LEU CDx C 13 24.174 0.400 A 101 LEU CG C 13 26.926 0.400 A 101 LEU N N 15 122.919 0.400 A 102 SER H H 1 8.101 0.020 A 102 SER HBx H 1 3.893 0.020 A 102 SER HBy H 1 4.053 0.020 A 102 SER CA C 13 55.863 0.400 A 102 SER CB C 13 63.611 0.400 A 102 SER N N 15 118.019 0.400 A 103 PRO HA H 1 4.168 0.020 A 103 PRO HBy H 1 2.278 0.020 A 103 PRO HBx H 1 2.122 0.020 A 103 PRO HDy H 1 3.904 0.020 A 103 PRO HDx H 1 3.859 0.020 A 103 PRO HGx H 1 1.971 0.020 A 103 PRO HGy H 1 1.971 0.020 A 103 PRO C C 13 177.860 0.400 A 103 PRO CA C 13 64.978 0.400 A 103 PRO CB C 13 32.014 0.400 A 103 PRO CD C 13 50.793 0.400 A 103 PRO CG C 13 27.764 0.400 A 104 GLU H H 1 8.610 0.020 A 104 GLU HA H 1 4.116 0.020 A 104 GLU HBx H 1 1.978 0.020 A 104 GLU HBy H 1 1.978 0.020 A 104 GLU HGx H 1 2.276 0.020 A 104 GLU HGy H 1 2.276 0.020 A 104 GLU C C 13 177.835 0.400 A 104 GLU CA C 13 58.735 0.400 A 104 GLU CB C 13 29.185 0.400 A 104 GLU CG C 13 36.563 0.400 A 104 GLU N N 15 117.800 0.400 A 105 VAL H H 1 7.539 0.020 A 105 VAL HA H 1 3.824 0.020 A 105 VAL HB H 1 2.017 0.020 A 105 VAL HGx% H 1 0.877 0.020 A 105 VAL HGy% H 1 0.728 0.020 A 105 VAL C C 13 177.235 0.400 A 105 VAL CA C 13 64.562 0.400 A 105 VAL CB C 13 31.971 0.400 A 105 VAL CGy C 13 21.774 0.400 A 105 VAL CGx C 13 21.077 0.400 A 105 VAL N N 15 118.580 0.400 A 106 PHE H H 1 7.785 0.020 A 106 PHE HA H 1 4.245 0.020 A 106 PHE HBx H 1 2.911 0.020 A 106 PHE HBy H 1 2.966 0.020 A 106 PHE HD1 H 1 7.105 0.020 A 106 PHE HD2 H 1 7.105 0.020 A 106 PHE HE1 H 1 7.149 0.020 A 106 PHE HE2 H 1 7.149 0.020 A 106 PHE HZ H 1 7.064 0.020 A 106 PHE C C 13 176.516 0.400 A 106 PHE CA C 13 59.737 0.400 A 106 PHE CB C 13 38.720 0.400 A 106 PHE CDx C 13 131.659 0.400 A 106 PHE CDy C 13 131.659 0.400 A 106 PHE CEx C 13 131.044 0.400 A 106 PHE CEy C 13 131.044 0.400 A 106 PHE CZ C 13 129.382 0.400 A 106 PHE N N 15 118.407 0.400 A 107 GLN H H 1 7.867 0.020 A 107 GLN HA H 1 4.006 0.020 A 107 GLN HBx H 1 2.061 0.020 A 107 GLN HBy H 1 2.061 0.020 A 107 GLN HGx H 1 2.307 0.020 A 107 GLN HGy H 1 2.307 0.020 A 107 GLN C C 13 176.746 0.400 A 107 GLN CA C 13 57.897 0.400 A 107 GLN CB C 13 28.661 0.400 A 107 GLN CG C 13 34.166 0.400 A 107 GLN N N 15 117.837 0.400 A 108 HIS H H 1 7.829 0.020 A 108 HIS HA H 1 4.525 0.020 A 108 HIS HBy H 1 3.170 0.020 A 108 HIS HBx H 1 3.060 0.020 A 108 HIS HD2 H 1 7.166 0.020 A 108 HIS HE1 H 1 8.237 0.020 A 108 HIS C C 13 176.631 0.400 A 108 HIS CA C 13 56.786 0.400 A 108 HIS CB C 13 29.168 0.400 A 108 HIS CD2 C 13 120.342 0.400 A 108 HIS CE1 C 13 137.362 0.400 A 108 HIS N N 15 115.629 0.400 A 108 HIS ND1 N 15 195.801 0.400 A 108 HIS NE2 N 15 178.197 0.400 A 109 ILE H H 1 7.549 0.020 A 109 ILE HA H 1 3.802 0.020 A 109 ILE HB H 1 1.679 0.020 A 109 ILE HD1% H 1 0.653 0.020 A 109 ILE HG1x H 1 0.949 0.020 A 109 ILE HG1y H 1 0.949 0.020 A 109 ILE HG2% H 1 0.560 0.020 A 109 ILE C C 13 176.187 0.400 A 109 ILE CA C 13 63.871 0.400 A 109 ILE CB C 13 37.988 0.400 A 109 ILE CD1 C 13 13.823 0.400 A 109 ILE CG1 C 13 28.294 0.400 A 109 ILE CG2 C 13 17.363 0.400 A 109 ILE N N 15 119.705 0.400 A 110 TRP H H 1 7.685 0.020 A 110 TRP HA H 1 4.504 0.020 A 110 TRP HBy H 1 3.288 0.020 A 110 TRP HBx H 1 3.132 0.020 A 110 TRP HD1 H 1 7.150 0.020 A 110 TRP HE1 H 1 9.991 0.020 A 110 TRP HE3 H 1 7.482 0.020 A 110 TRP HH2 H 1 7.083 0.020 A 110 TRP HZ2 H 1 7.342 0.020 A 110 TRP HZ3 H 1 7.028 0.020 A 110 TRP C C 13 177.709 0.400 A 110 TRP CA C 13 58.474 0.400 A 110 TRP CB C 13 28.877 0.400 A 110 TRP CD1 C 13 127.410 0.400 A 110 TRP CE3 C 13 120.693 0.400 A 110 TRP CH2 C 13 124.204 0.400 A 110 TRP CZ2 C 13 114.390 0.400 A 110 TRP CZ3 C 13 121.684 0.400 A 110 TRP N N 15 119.139 0.400 A 110 TRP NE1 N 15 129.025 0.400 A 111 ASP H H 1 8.053 0.020 A 111 ASP HA H 1 4.445 0.020 A 111 ASP HBy H 1 2.661 0.020 A 111 ASP HBx H 1 2.614 0.020 A 111 ASP C C 13 177.891 0.400 A 111 ASP CA C 13 56.537 0.400 A 111 ASP CB C 13 40.321 0.400 A 111 ASP N N 15 119.509 0.400 A 112 PHE H H 1 7.769 0.020 A 112 PHE HA H 1 4.416 0.020 A 112 PHE HBy H 1 3.196 0.020 A 112 PHE HBx H 1 3.096 0.020 A 112 PHE HD1 H 1 7.215 0.020 A 112 PHE HD2 H 1 7.215 0.020 A 112 PHE HE1 H 1 7.229 0.020 A 112 PHE HE2 H 1 7.229 0.020 A 112 PHE HZ H 1 7.224 0.020 A 112 PHE C C 13 176.554 0.400 A 112 PHE CA C 13 59.333 0.400 A 112 PHE CB C 13 39.041 0.400 A 112 PHE CDx C 13 131.834 0.400 A 112 PHE CDy C 13 131.841 0.400 A 112 PHE CEx C 13 131.150 0.400 A 112 PHE CEy C 13 131.150 0.400 A 112 PHE CZ C 13 129.604 0.400 A 112 PHE N N 15 118.507 0.400 A 113 LEU H H 1 7.768 0.020 A 113 LEU HA H 1 4.087 0.020 A 113 LEU HBy H 1 1.750 0.020 A 113 LEU HBx H 1 1.687 0.020 A 113 LEU HDx% H 1 0.832 0.020 A 113 LEU HDy% H 1 0.832 0.020 A 113 LEU HG H 1 1.521 0.020 A 113 LEU C C 13 177.359 0.400 A 113 LEU CA C 13 55.968 0.400 A 113 LEU CB C 13 42.318 0.400 A 113 LEU CDx C 13 25.953 0.400 A 113 LEU CG C 13 23.583 0.400 A 113 LEU N N 15 118.879 0.400 A 114 GLU H H 1 7.880 0.020 A 114 GLU HA H 1 4.232 0.020 A 114 GLU HBy H 1 2.091 0.020 A 114 GLU HBx H 1 1.923 0.020 A 114 GLU HGy H 1 2.253 0.020 A 114 GLU HGx H 1 2.179 0.020 A 114 GLU C C 13 176.380 0.400 A 114 GLU CA C 13 56.551 0.400 A 114 GLU CB C 13 30.274 0.400 A 114 GLU CG C 13 36.331 0.400 A 114 GLU N N 15 118.186 0.400 A 115 GLN H H 1 7.838 0.020 A 115 GLN HA H 1 4.572 0.020 A 115 GLN HBy H 1 2.072 0.020 A 115 GLN HBx H 1 1.951 0.020 A 115 GLN CA C 13 53.820 0.400 A 115 GLN CB C 13 28.900 0.400 A 115 GLN N N 15 120.591 0.400 A 116 PRO HA H 1 4.454 0.020 A 116 PRO HBx H 1 2.259 0.020 A 116 PRO HBy H 1 2.259 0.020 A 116 PRO HDx H 1 3.647 0.020 A 116 PRO HDy H 1 3.771 0.020 A 116 PRO HGy H 1 2.009 0.020 A 116 PRO HGx H 1 1.900 0.020 A 116 PRO C C 13 177.149 0.400 A 116 PRO CA C 13 63.212 0.400 A 116 PRO CB C 13 32.011 0.400 A 116 PRO CD C 13 50.589 0.400 A 116 PRO CG C 13 27.499 0.400 A 117 ILE H H 1 8.244 0.020 A 117 ILE HA H 1 4.152 0.020 A 117 ILE HB H 1 1.861 0.020 A 117 ILE HD1% H 1 0.861 0.020 A 117 ILE HG1y H 1 1.504 0.020 A 117 ILE HG1x H 1 1.198 0.020 A 117 ILE HG2% H 1 0.917 0.020 A 117 ILE C C 13 176.355 0.400 A 117 ILE CA C 13 61.479 0.400 A 117 ILE CB C 13 38.825 0.400 A 117 ILE CD1 C 13 13.298 0.400 A 117 ILE CG1 C 13 27.598 0.400 A 117 ILE CG2 C 13 17.706 0.400 A 117 ILE N N 15 121.002 0.400 A 118 SER H H 1 8.274 0.020 A 118 SER HA H 1 4.491 0.020 A 118 SER HBy H 1 3.894 0.020 A 118 SER HBx H 1 3.855 0.020 A 118 SER C C 13 174.608 0.400 A 118 SER CA C 13 58.310 0.400 A 118 SER CB C 13 63.868 0.400 A 118 SER N N 15 118.852 0.400 A 119 SER H H 1 8.276 0.020 A 119 SER HA H 1 4.510 0.020 A 119 SER HBx H 1 3.893 0.020 A 119 SER HBy H 1 3.893 0.020 A 119 SER C C 13 174.336 0.400 A 119 SER CA C 13 58.471 0.400 A 119 SER CB C 13 63.989 0.400 A 119 SER N N 15 117.808 0.400 A 120 VAL H H 1 8.026 0.020 A 120 VAL HA H 1 4.161 0.020 A 120 VAL HB H 1 2.086 0.020 A 120 VAL HGx% H 1 0.917 0.020 A 120 VAL HGy% H 1 0.917 0.020 A 120 VAL C C 13 175.803 0.400 A 120 VAL CA C 13 62.240 0.400 A 120 VAL CB C 13 32.684 0.400 A 120 VAL CGx C 13 20.961 0.400 A 120 VAL N N 15 121.017 0.400 A 121 GLN H H 1 8.312 0.020 A 121 GLN HA H 1 4.653 0.020 A 121 GLN HBy H 1 2.092 0.020 A 121 GLN HBx H 1 1.954 0.020 A 121 GLN CA C 13 53.498 0.400 A 121 GLN CB C 13 29.126 0.400 A 121 GLN N N 15 125.089 0.400 A 122 PRO HA H 1 4.481 0.020 A 122 PRO HBy H 1 2.295 0.020 A 122 PRO HBx H 1 1.996 0.020 A 122 PRO HDy H 1 3.809 0.020 A 122 PRO HDx H 1 3.685 0.020 A 122 PRO HGx H 1 1.984 0.020 A 122 PRO HGy H 1 1.984 0.020 A 122 PRO C C 13 176.726 0.400 A 122 PRO CA C 13 63.136 0.400 A 122 PRO CB C 13 32.210 0.400 A 122 PRO CD C 13 50.787 0.400 A 122 PRO CG C 13 27.481 0.400 A 123 ILE H H 1 8.178 0.020 A 123 ILE HA H 1 4.213 0.020 A 123 ILE HB H 1 1.896 0.020 A 123 ILE HD1% H 1 0.863 0.020 A 123 ILE HG1y H 1 1.479 0.020 A 123 ILE HG1x H 1 1.175 0.020 A 123 ILE HG2% H 1 0.930 0.020 A 123 ILE C C 13 175.103 0.400 A 123 ILE CA C 13 61.231 0.400 A 123 ILE CB C 13 39.229 0.400 A 123 ILE CD1 C 13 13.433 0.400 A 123 ILE CG1 C 13 27.127 0.400 A 123 ILE CG2 C 13 17.812 0.400 A 123 ILE N N 15 120.218 0.400 A 124 ASP H H 1 7.888 0.020 A 124 ASP CA C 13 55.764 0.400 A 124 ASP CB C 13 42.422 0.400 A 124 ASP N N 15 128.969 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 46 THR HB A 63 LEU HDx% 1.0 . 4.28 2 1 A 46 THR HB A 63 LEU HDy% 1.0 . 4.28 3 2 A 43 VAL HA A 45 HIS H 1.0 . 5.40 4 3 A 43 VAL HA A 43 VAL HGx% 1.0 . 2.97 5 4 A 46 THR HB A 43 VAL HA 1.0 . 4.87 6 5 A 20 LEU HA A 21 VAL HA 1.0 . 4.91 7 6 A 21 VAL HA A 20 LEU HG 1.0 . 4.92 8 7 A 21 VAL HA A 21 VAL HGx% 1.0 . 3.00 9 7 A 21 VAL HA A 21 VAL HGy% 1.0 . 3.00 10 8 A 21 VAL HA A 81 VAL HGx% 1.0 . 4.87 11 9 A 42 VAL HA A 45 HIS HBx 1.0 . 4.37 12 10 A 42 VAL HA A 42 VAL HGy% 1.0 . 3.55 13 11 A 42 VAL HA A 43 VAL HGy% 1.0 . 5.09 14 12 A 42 VAL HA A 59 ILE HG2% 1.0 . 4.43 15 13 A 60 CYS HA A 64 ILE H 1.0 . 5.02 16 14 A 60 CYS HA A 63 LEU H 1.0 . 4.46 17 15 A 60 CYS HA A 62 GLN H 1.0 . 4.96 18 16 A 60 CYS HA A 59 ILE H 1.0 . 5.50 19 17 A 60 CYS HA A 46 THR HG2% 1.0 . 5.17 20 18 A 60 CYS HA A 59 ILE HB 1.0 . 5.04 21 19 A 60 CYS HA A 63 LEU HDx% 1.0 . 4.02 22 19 A 63 LEU HDy% A 60 CYS HA 1.0 . 4.02 23 20 A 46 THR HA A 49 CYS HBy 1.0 . 4.27 24 21 A 46 THR HA A 49 CYS HBx 1.0 . 4.27 25 22 A 46 THR HA A 47 LYS HBx 1.0 . 5.36 26 22 A 46 THR HA A 47 LYS HBy 1.0 . 5.36 27 23 A 46 THR HA A 63 LEU HDx% 1.0 . 5.50 28 23 A 63 LEU HDy% A 46 THR HA 1.0 . 5.50 29 24 A 64 ILE HA A 64 ILE HG1y 1.0 . 4.23 30 25 A 64 ILE HA A 64 ILE HG1x 1.0 . 4.23 31 26 A 64 ILE HA A 83 PHE HD% 1.0 . 4.52 32 27 A 34 PRO HA A 36 CYS H 1.0 . 4.78 33 28 A 34 PRO HA A 37 GLN H 1.0 . 5.19 34 29 A 58 PRO HA A 61 LYS HEx 1.0 . 5.38 35 29 A 58 PRO HA A 61 LYS HEy 1.0 . 5.38 36 30 A 58 PRO HA A 62 GLN HGx 1.0 . 3.97 37 30 A 58 PRO HA A 62 GLN HGy 1.0 . 3.97 38 31 A 58 PRO HA A 61 LYS HDy 1.0 . 4.72 39 32 A 58 PRO HA A 61 LYS HDx 1.0 . 4.72 40 33 A 103 PRO HA A 105 VAL H 1.0 . 5.05 41 34 A 81 VAL HB A 84 CYS HA 1.0 . 4.95 42 35 A 84 CYS HA A 87 ILE HB 1.0 . 4.17 43 36 A 84 CYS HA A 67 ALA HB% 1.0 . 4.52 44 37 A 84 CYS HA A 87 ILE HG1x 1.0 . 4.78 45 37 A 84 CYS HA A 87 ILE HG1y 1.0 . 4.78 46 38 A 84 CYS HA A 71 ALA HB% 1.0 . 3.77 47 39 A 84 CYS HA A 87 ILE HD1% 1.0 . 4.16 48 40 A 84 CYS HA A 70 HIS HD2 1.0 . 4.71 49 41 A 84 CYS HA A 88 LYS H 1.0 . 4.95 50 42 A 13 ILE HA A 16 ALA HB% 1.0 . 3.61 51 43 A 13 ILE HA A 66 LEU HDx% 1.0 . 3.69 52 43 A 13 ILE HA A 66 LEU HDy% 1.0 . 3.69 53 44 A 13 ILE HA A 13 ILE HG2% 1.0 . 3.50 54 45 A 84 CYS HA A 87 ILE HA 1.0 . 5.38 55 46 A 87 ILE HA A 88 LYS HA 1.0 . 5.50 56 47 A 17 ILE HA A 18 GLN HA 1.0 . 5.41 57 48 A 60 CYS HA A 59 ILE HA 1.0 . 5.50 58 49 A 62 GLN H A 59 ILE HA 1.0 . 4.47 59 50 A 59 ILE HA A 62 GLN HGx 1.0 . 4.71 60 50 A 62 GLN HGy A 59 ILE HA 1.0 . 4.71 61 51 A 59 ILE HA A 58 PRO HGx 1.0 . 4.34 62 52 A 17 ILE HA A 66 LEU HBx 1.0 . 4.95 63 53 A 59 ILE HA A 59 ILE HG1x 1.0 . 4.05 64 53 A 59 ILE HA A 59 ILE HG1y 1.0 . 4.05 65 54 A 87 ILE HD1% A 87 ILE HA 1.0 . 3.93 66 55 A 59 ILE HA A 109 ILE HG2% 1.0 . 4.63 67 56 A 36 CYS HA A 39 MET H 1.0 . 4.60 68 57 A 36 CYS HA A 22 HIS HD2 1.0 . 4.23 69 58 A 36 CYS HA A 39 MET HGx 1.0 . 4.96 70 59 A 36 CYS HA A 39 MET HBy 1.0 . 4.43 71 60 A 36 CYS HA A 23 ALA HB% 1.0 . 3.68 72 61 A 39 MET HGy A 35 SER HBy 1.0 . 5.10 73 62 A 122 PRO HA A 123 ILE HG2% 1.0 . 4.73 74 63 A 81 VAL HA A 80 PRO HGx 1.0 . 4.90 75 63 A 80 PRO HGy A 81 VAL HA 1.0 . 4.90 76 64 A 81 VAL HA A 21 VAL HGx% 1.0 . 4.30 77 64 A 21 VAL HGy% A 81 VAL HA 1.0 . 4.30 78 65 A 81 VAL HGx% A 81 VAL HA 1.0 . 3.73 79 66 A 120 VAL HA A 120 VAL HGx% 1.0 . 3.19 80 66 A 120 VAL HA A 120 VAL HGy% 1.0 . 3.19 81 67 A 19 SER HA A 22 HIS HBx 1.0 . 3.65 82 67 A 19 SER HA A 22 HIS HBy 1.0 . 3.65 83 68 A 2 THR HA A 2 THR HG2% 1.0 . 3.86 84 69 A 31 CYS HA A 33 LEU H 1.0 . 5.24 85 70 A 40 LYS HA A 44 GLN HGx 1.0 . 4.92 86 70 A 40 LYS HA A 44 GLN HGy 1.0 . 4.92 87 71 A 40 LYS HA A 43 VAL HB 1.0 . 3.56 88 72 A 23 ALA HB% A 40 LYS HA 1.0 . 3.80 89 73 A 40 LYS HA A 40 LYS HGx 1.0 . 3.70 90 73 A 40 LYS HA A 40 LYS HGy 1.0 . 3.70 91 74 A 43 VAL HGx% A 40 LYS HA 1.0 . 4.33 92 75 A 69 TYR HA A 72 LYS HEx 1.0 . 4.59 93 75 A 69 TYR HA A 72 LYS HEy 1.0 . 4.59 94 76 A 117 ILE HA A 116 PRO HBx 1.0 . 4.84 95 76 A 116 PRO HBy A 117 ILE HA 1.0 . 4.84 96 77 A 69 TYR HA A 68 ALA HB% 1.0 . 4.55 97 78 A 123 ILE HG2% A 123 ILE HA 1.0 . 3.69 98 79 A 49 CYS HA A 51 ARG HBx 1.0 . 4.65 99 79 A 49 CYS HA A 51 ARG HBy 1.0 . 4.65 100 80 A 22 HIS HE1 A 26 CYS HA 1.0 . 4.42 101 81 A 22 HIS HA A 25 GLN HGy 1.0 . 4.26 102 82 A 22 HIS HA A 21 VAL HGx% 1.0 . 4.08 103 82 A 21 VAL HGy% A 22 HIS HA 1.0 . 4.08 104 83 A 88 LYS HA A 87 ILE HG2% 1.0 . 4.27 105 84 A 88 LYS HA A 88 LYS HGx 1.0 . 3.60 106 84 A 88 LYS HA A 88 LYS HGy 1.0 . 3.60 107 85 A 61 LYS HA A 61 LYS HGx 1.0 . 4.04 108 85 A 61 LYS HA A 61 LYS HGy 1.0 . 4.04 109 86 A 61 LYS HA A 64 ILE HG2% 1.0 . 4.79 110 87 A 61 LYS HA A 64 ILE HD1% 1.0 . 4.04 111 88 A 60 CYS HA A 61 LYS HA 1.0 . 5.07 112 89 A 70 HIS HE1 A 74 CYS HA 1.0 . 5.17 113 90 A 74 CYS HA A 76 GLU H 1.0 . 4.97 114 91 A 74 CYS HA A 75 GLN HGx 1.0 . 4.59 115 91 A 74 CYS HA A 75 GLN HGy 1.0 . 4.59 116 92 A 45 HIS HA A 47 LYS H 1.0 . 4.98 117 93 A 37 GLN HA A 37 GLN HGy 1.0 . 4.06 118 94 A 37 GLN HA A 37 GLN HGx 1.0 . 4.06 119 95 A 37 GLN HA A 40 LYS HBy 1.0 . 3.18 120 96 A 37 GLN HA A 40 LYS HDy 1.0 . 4.06 121 97 A 37 GLN HA A 40 LYS HDx 1.0 . 4.06 122 98 A 37 GLN HA A 41 ARG H 1.0 . 5.40 123 99 A 45 HIS H A 41 ARG HA 1.0 . 5.12 124 100 A 41 ARG HA A 44 GLN HBx 1.0 . 3.79 125 100 A 41 ARG HA A 44 GLN HBy 1.0 . 3.79 126 101 A 41 ARG HA A 41 ARG HDx 1.0 . 4.45 127 101 A 41 ARG HA A 41 ARG HDy 1.0 . 4.45 128 102 A 38 LYS HA A 41 ARG HDx 1.0 . 5.10 129 102 A 41 ARG HDy A 38 LYS HA 1.0 . 5.10 130 103 A 14 GLN HA A 14 GLN HGy 1.0 . 3.95 131 104 A 14 GLN HA A 14 GLN HGx 1.0 . 3.95 132 105 A 38 LYS HA A 41 ARG HBx 1.0 . 4.65 133 106 A 38 LYS HA A 38 LYS HGx 1.0 . 3.64 134 106 A 38 LYS HA A 38 LYS HGy 1.0 . 3.64 135 107 A 38 LYS HA A 38 LYS HDx 1.0 . 4.22 136 107 A 38 LYS HA A 38 LYS HDy 1.0 . 4.22 137 108 A 14 GLN HA A 17 ILE HD1% 1.0 . 3.77 138 109 A 18 GLN HA A 21 VAL H 1.0 . 4.31 139 110 A 18 GLN HA A 22 HIS HBx 1.0 . 5.15 140 110 A 18 GLN HA A 22 HIS HBy 1.0 . 5.15 141 111 A 15 ARG HA A 15 ARG HDx 1.0 . 4.17 142 111 A 15 ARG HA A 15 ARG HDy 1.0 . 4.17 143 112 A 18 GLN HA A 18 GLN HGx 1.0 . 3.73 144 113 A 18 GLN HA A 21 VAL HB 1.0 . 3.89 145 114 A 15 ARG HA A 15 ARG HGx 1.0 . 3.66 146 114 A 15 ARG HA A 15 ARG HGy 1.0 . 3.66 147 115 A 18 GLN HA A 21 VAL HGx% 1.0 . 3.83 148 115 A 21 VAL HGy% A 18 GLN HA 1.0 . 3.83 149 116 A 44 GLN HA A 44 GLN HGx 1.0 . 3.58 150 116 A 44 GLN HGy A 44 GLN HA 1.0 . 3.58 151 117 A 44 GLN HA A 47 LYS HEx 1.0 . 4.65 152 117 A 44 GLN HA A 47 LYS HEy 1.0 . 4.65 153 118 A 44 GLN HA A 47 LYS HBx 1.0 . 3.90 154 118 A 47 LYS HBy A 44 GLN HA 1.0 . 3.90 155 119 A 46 THR HG2% A 44 GLN HA 1.0 . 4.59 156 120 A 44 GLN HA A 47 LYS HGx 1.0 . 4.47 157 120 A 44 GLN HA A 47 LYS HGy 1.0 . 4.47 158 121 A 43 VAL HGx% A 44 GLN HA 1.0 . 4.01 159 122 A 70 HIS HA A 71 ALA HA 1.0 . 5.03 160 123 A 70 HIS HA A 17 ILE HG2% 1.0 . 4.41 161 124 A 17 ILE HD1% A 70 HIS HA 1.0 . 4.21 162 125 A 10 ARG HA A 10 ARG HDx 1.0 . 4.59 163 125 A 10 ARG HA A 10 ARG HDy 1.0 . 4.59 164 126 A 20 LEU HA A 39 MET HGy 1.0 . 5.18 165 127 A 20 LEU HA A 23 ALA HB% 1.0 . 3.27 166 128 A 10 ARG HA A 13 ILE HD1% 1.0 . 3.92 167 129 A 20 LEU HA A 20 LEU HDy% 1.0 . 4.07 168 130 A 10 ARG HA A 14 GLN H 1.0 . 4.30 169 131 A 20 LEU HA A 23 ALA H 1.0 . 4.97 170 132 A 117 ILE HG2% A 118 SER HA 1.0 . 4.55 171 133 A 119 SER HA A 120 VAL HGx% 1.0 . 4.77 172 133 A 120 VAL HGy% A 119 SER HA 1.0 . 4.77 173 134 A 110 TRP HA A 113 LEU HDx% 1.0 . 4.14 174 134 A 110 TRP HA A 113 LEU HDy% 1.0 . 4.14 175 135 A 9 ARG HA A 9 ARG HGy 1.0 . 3.85 176 136 A 9 ARG HA A 9 ARG HGx 1.0 . 3.85 177 137 A 72 LYS HA A 72 LYS HEx 1.0 . 4.87 178 137 A 72 LYS HEy A 72 LYS HA 1.0 . 4.87 179 138 A 71 ALA HB% A 72 LYS HA 1.0 . 3.85 180 139 A 72 LYS HA A 72 LYS HGy 1.0 . 3.95 181 140 A 72 LYS HA A 72 LYS HGx 1.0 . 3.95 182 141 A 87 ILE HG2% A 72 LYS HA 1.0 . 5.50 183 142 A 107 GLN HA A 110 TRP HBy 1.0 . 4.63 184 143 A 107 GLN HA A 107 GLN HGx 1.0 . 3.79 185 143 A 107 GLN HA A 107 GLN HGy 1.0 . 3.79 186 144 A 66 LEU HA A 69 TYR HBy 1.0 . 4.47 187 145 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.38 188 145 A 66 LEU HDy% A 66 LEU HA 1.0 . 3.38 189 146 A 13 ILE HG2% A 66 LEU HA 1.0 . 4.87 190 147 A 66 LEU HA A 13 ILE HG1x 1.0 . 4.88 191 147 A 66 LEU HA A 13 ILE HG1y 1.0 . 4.88 192 148 A 66 LEU HA A 65 ALA HB% 1.0 . 5.07 193 149 A 66 LEU HA A 69 TYR H 1.0 . 4.60 194 150 A 76 GLU HBx A 79 CYS HA 1.0 . 5.44 195 151 A 79 CYS HA A 80 PRO HGx 1.0 . 4.52 196 151 A 80 PRO HGy A 79 CYS HA 1.0 . 4.52 197 152 A 79 CYS HA A 85 LEU HDx% 1.0 . 5.20 198 152 A 79 CYS HA A 85 LEU HDy% 1.0 . 5.20 199 153 A 51 ARG HA A 51 ARG HDx 1.0 . 4.48 200 153 A 51 ARG HA A 51 ARG HDy 1.0 . 4.48 201 154 A 51 ARG HA A 54 ASN HBx 1.0 . 4.81 202 154 A 51 ARG HA A 54 ASN HBy 1.0 . 4.81 203 155 A 51 ARG HA A 51 ARG HGx 1.0 . 3.69 204 155 A 51 ARG HA A 51 ARG HGy 1.0 . 3.69 205 156 A 11 LEU HA A 10 ARG HDx 1.0 . 5.38 206 156 A 10 ARG HDy A 11 LEU HA 1.0 . 5.38 207 157 A 99 GLU HA A 100 PHE HBy 1.0 . 4.92 208 158 A 99 GLU HA A 99 GLU HGx 1.0 . 3.93 209 159 A 11 LEU HA A 11 LEU HG 1.0 . 3.91 210 160 A 90 LYS HA A 90 LYS HDx 1.0 . 4.23 211 160 A 90 LYS HA A 90 LYS HDy 1.0 . 4.23 212 161 A 90 LYS HA A 90 LYS HGy 1.0 . 3.96 213 162 A 90 LYS HA A 90 LYS HGx 1.0 . 3.96 214 163 A 94 GLU HA A 94 GLU HGx 1.0 . 3.45 215 163 A 94 GLU HA A 94 GLU HGy 1.0 . 3.45 216 164 A 39 MET HA A 42 VAL HGy% 1.0 . 4.65 217 165 A 39 MET HA A 113 LEU HDx% 1.0 . 4.62 218 165 A 113 LEU HDy% A 39 MET HA 1.0 . 4.62 219 166 A 39 MET HGx A 39 MET HA 1.0 . 4.18 220 167 A 49 CYS HA A 50 LYS HA 1.0 . 4.75 221 168 A 50 LYS HA A 50 LYS HDy 1.0 . 3.93 222 169 A 50 LYS HA A 50 LYS HDx 1.0 . 3.93 223 170 A 88 LYS H A 86 ASN HA 1.0 . 5.17 224 171 A 86 ASN HA A 85 LEU HDx% 1.0 . 5.13 225 171 A 85 LEU HDy% A 86 ASN HA 1.0 . 5.13 226 172 A 114 GLU HA A 114 GLU HGx 1.0 . 3.91 227 173 A 96 ARG HA A 97 GLY HAx 1.0 . 4.73 228 173 A 96 ARG HA A 97 GLY HAy 1.0 . 4.73 229 174 A 96 ARG HA A 96 ARG HGx 1.0 . 3.53 230 174 A 96 ARG HA A 96 ARG HGy 1.0 . 3.53 231 175 A 96 ARG HA A 96 ARG HDx 1.0 . 4.34 232 175 A 96 ARG HA A 96 ARG HDy 1.0 . 4.34 233 176 A 76 GLU HA A 77 ASN HBx 1.0 . 5.00 234 176 A 76 GLU HA A 77 ASN HBy 1.0 . 5.00 235 177 A 76 GLU HA A 76 GLU HGy 1.0 . 3.94 236 178 A 113 LEU HA A 113 LEU HDx% 1.0 . 3.22 237 178 A 113 LEU HDy% A 113 LEU HA 1.0 . 3.22 238 179 A 70 HIS HD2 A 67 ALA HA 1.0 . 4.45 239 180 A 67 ALA HA A 70 HIS H 1.0 . 4.21 240 181 A 67 ALA HA A 71 ALA H 1.0 . 4.67 241 182 A 67 ALA HA A 70 HIS HBx 1.0 . 3.60 242 183 A 67 ALA HA A 83 PHE HBx 1.0 . 4.48 243 184 A 67 ALA HA A 84 CYS HBx 1.0 . 4.64 244 185 A 81 VAL HGx% A 67 ALA HA 1.0 . 4.02 245 186 A 23 ALA HA A 26 CYS HBy 1.0 . 3.84 246 187 A 87 ILE HD1% A 68 ALA HA 1.0 . 3.33 247 188 A 77 ASN HA A 79 CYS H 1.0 . 5.27 248 189 A 71 ALA HA A 74 CYS HBx 1.0 . 3.69 249 190 A 87 ILE HB A 71 ALA HA 1.0 . 5.17 250 191 A 71 ALA HA A 74 CYS HBy 1.0 . 3.72 251 192 A 70 HIS HD2 A 71 ALA HA 1.0 . 4.15 252 193 A 27 ARG HA A 27 ARG HDx 1.0 . 4.40 253 193 A 27 ARG HA A 27 ARG HDy 1.0 . 4.40 254 194 A 25 GLN HGy A 25 GLN HA 1.0 . 4.08 255 195 A 78 LYS HA A 77 ASN HBx 1.0 . 4.69 256 195 A 77 ASN HBy A 78 LYS HA 1.0 . 4.69 257 196 A 78 LYS HA A 78 LYS HDx 1.0 . 3.68 258 196 A 78 LYS HA A 78 LYS HDy 1.0 . 3.68 259 197 A 78 LYS HA A 85 LEU HDx% 1.0 . 3.67 260 197 A 85 LEU HDy% A 78 LYS HA 1.0 . 3.67 261 198 A 28 ASN HA A 29 ALA HA 1.0 . 4.58 262 199 A 29 ALA HA A 31 CYS H 1.0 . 4.60 263 200 A 43 VAL HB A 24 ALA HA 1.0 . 5.50 264 201 A 23 ALA HB% A 24 ALA HA 1.0 . 4.39 265 202 A 115 GLN HA A 116 PRO HDy 1.0 . 3.13 266 203 A 115 GLN HA A 116 PRO HDx 1.0 . 3.13 267 204 A 28 ASN HA A 29 ALA HB% 1.0 . 4.28 268 205 A 58 PRO HDx A 122 PRO HGx 1.0 . 3.80 269 205 A 58 PRO HDy A 122 PRO HGx 1.0 . 3.80 270 205 A 122 PRO HGy A 58 PRO HDx 1.0 . 3.80 271 205 A 58 PRO HDy A 122 PRO HGy 1.0 . 3.80 272 206 A 51 ARG HDy A 58 PRO HDx 1.0 . 5.50 273 206 A 58 PRO HDy A 51 ARG HDx 1.0 . 5.50 274 206 A 51 ARG HDy A 58 PRO HDy 1.0 . 5.50 275 206 A 51 ARG HDx A 58 PRO HDx 1.0 . 5.50 276 207 A 33 LEU HA A 34 PRO HDx 1.0 . 3.27 277 207 A 33 LEU HA A 34 PRO HDy 1.0 . 3.27 278 208 A 33 LEU HBx A 34 PRO HDx 1.0 . 4.37 279 208 A 34 PRO HDy A 33 LEU HBx 1.0 . 4.37 280 209 A 33 LEU HBy A 34 PRO HDx 1.0 . 4.18 281 209 A 34 PRO HDy A 33 LEU HBy 1.0 . 4.18 282 210 A 121 GLN HA A 122 PRO HDy 1.0 . 3.19 283 211 A 121 GLN HA A 122 PRO HDx 1.0 . 3.19 284 212 A 115 GLN H A 116 PRO HDx 1.0 . 5.31 285 213 A 95 GLY H A 97 GLY HAx 1.0 . 4.19 286 213 A 97 GLY HAy A 95 GLY H 1.0 . 4.19 287 214 A 97 GLY H A 95 GLY HAx 1.0 . 4.13 288 214 A 95 GLY HAy A 97 GLY H 1.0 . 4.13 289 215 A 47 LYS HBx A 48 GLY HAx 1.0 . 5.00 290 215 A 47 LYS HBy A 48 GLY HAx 1.0 . 5.00 291 216 A 47 LYS HBy A 48 GLY HAy 1.0 . 5.00 292 216 A 48 GLY HAy A 47 LYS HBx 1.0 . 5.00 293 217 A 47 LYS H A 48 GLY HAy 1.0 . 5.50 294 218 A 101 LEU HBx A 101 LEU HDx% 1.0 . 3.70 295 218 A 101 LEU HBy A 101 LEU HDx% 1.0 . 3.70 296 218 A 101 LEU HDy% A 101 LEU HBx 1.0 . 3.70 297 218 A 101 LEU HBy A 101 LEU HDy% 1.0 . 3.70 298 219 A 102 SER H A 101 LEU HBx 1.0 . 4.84 299 219 A 101 LEU HBy A 102 SER H 1.0 . 4.84 300 220 A 66 LEU HBy A 67 ALA H 1.0 . 4.45 301 221 A 20 LEU HBy A 20 LEU HDx% 1.0 . 4.11 302 222 A 20 LEU HBy A 20 LEU HDy% 1.0 . 4.11 303 223 A 21 VAL H A 20 LEU HBy 1.0 . 4.45 304 224 A 7 ASP HBy A 10 ARG HBx 1.0 . 5.13 305 224 A 7 ASP HBx A 10 ARG HBx 1.0 . 5.13 306 224 A 10 ARG HBy A 7 ASP HBx 1.0 . 5.13 307 224 A 7 ASP HBy A 10 ARG HBy 1.0 . 5.13 308 225 A 6 GLY HAy A 7 ASP HBx 1.0 . 4.78 309 225 A 6 GLY HAx A 7 ASP HBx 1.0 . 4.78 310 225 A 7 ASP HBy A 6 GLY HAx 1.0 . 4.78 311 225 A 7 ASP HBy A 6 GLY HAy 1.0 . 4.78 312 226 A 85 LEU HG A 85 LEU HBx 1.0 . 2.85 313 226 A 85 LEU HBy A 85 LEU HG 1.0 . 2.85 314 227 A 85 LEU HBx A 85 LEU HDx% 1.0 . 3.49 315 227 A 85 LEU HBy A 85 LEU HDx% 1.0 . 3.49 316 227 A 85 LEU HDy% A 85 LEU HBx 1.0 . 3.49 317 227 A 85 LEU HDy% A 85 LEU HBy 1.0 . 3.49 318 228 A 33 LEU HBy A 33 LEU HDx% 1.0 . 3.77 319 229 A 33 LEU HBx A 36 CYS HBy 1.0 . 4.13 320 230 A 36 CYS HA A 33 LEU HBx 1.0 . 4.64 321 231 A 36 CYS HA A 33 LEU HBy 1.0 . 4.69 322 232 A 33 LEU HBy A 36 CYS HBy 1.0 . 4.40 323 233 A 111 ASP H A 111 ASP HBx 1.0 . 3.95 324 234 A 112 PHE H A 111 ASP HBx 1.0 . 4.49 325 235 A 65 ALA HB% A 100 PHE HBx 1.0 . 4.63 326 236 A 65 ALA HB% A 100 PHE HBy 1.0 . 4.67 327 237 A 100 PHE HBx A 66 LEU HDx% 1.0 . 5.50 328 237 A 66 LEU HDy% A 100 PHE HBx 1.0 . 5.50 329 238 A 117 ILE HB A 117 ILE HD1% 1.0 . 3.64 330 239 A 93 ILE H A 93 ILE HB 1.0 . 3.76 331 240 A 59 ILE HB A 120 VAL HGx% 1.0 . 4.30 332 240 A 59 ILE HB A 120 VAL HGy% 1.0 . 4.30 333 241 A 13 ILE HG1y A 69 TYR HBy 1.0 . 5.50 334 241 A 69 TYR HBy A 13 ILE HG1x 1.0 . 5.50 335 242 A 13 ILE HG1x A 69 TYR HBx 1.0 . 5.50 336 242 A 13 ILE HG1y A 69 TYR HBx 1.0 . 5.50 337 243 A 68 ALA HB% A 69 TYR HBx 1.0 . 5.50 338 244 A 68 ALA HB% A 69 TYR HBy 1.0 . 5.50 339 245 A 17 ILE HD1% A 69 TYR HBy 1.0 . 4.81 340 246 A 17 ILE HD1% A 69 TYR HBx 1.0 . 4.81 341 247 A 13 ILE HG2% A 69 TYR HBy 1.0 . 5.26 342 248 A 13 ILE HD1% A 69 TYR HBy 1.0 . 5.50 343 249 A 13 ILE HG2% A 69 TYR HBx 1.0 . 5.26 344 250 A 13 ILE HD1% A 69 TYR HBx 1.0 . 5.50 345 251 A 66 LEU HA A 69 TYR HBx 1.0 . 4.47 346 252 A 70 HIS H A 69 TYR HBy 1.0 . 4.49 347 253 A 70 HIS H A 69 TYR HBx 1.0 . 4.49 348 254 A 79 CYS H A 77 ASN HBx 1.0 . 5.50 349 254 A 77 ASN HBy A 79 CYS H 1.0 . 5.50 350 255 A 106 PHE HA A 109 ILE HB 1.0 . 4.58 351 256 A 87 ILE HB A 88 LYS H 1.0 . 4.13 352 257 A 87 ILE HB A 87 ILE H 1.0 . 3.74 353 258 A 13 ILE HB A 66 LEU HDx% 1.0 . 4.15 354 258 A 66 LEU HDy% A 13 ILE HB 1.0 . 4.15 355 259 A 10 ARG HA A 13 ILE HB 1.0 . 4.15 356 260 A 61 LYS HA A 64 ILE HB 1.0 . 4.60 357 261 A 17 ILE HB A 66 LEU HDx% 1.0 . 4.95 358 261 A 66 LEU HDy% A 17 ILE HB 1.0 . 4.95 359 262 A 14 GLN HA A 17 ILE HB 1.0 . 4.06 360 263 A 17 ILE HB A 18 GLN H 1.0 . 4.00 361 264 A 83 PHE HBx A 86 ASN HBx 1.0 . 5.50 362 264 A 83 PHE HBx A 86 ASN HBy 1.0 . 5.50 363 265 A 67 ALA HB% A 83 PHE HBy 1.0 . 3.99 364 266 A 87 ILE HD1% A 83 PHE HBx 1.0 . 4.35 365 267 A 104 GLU HBy A 104 GLU HGx 1.0 . 2.72 366 267 A 104 GLU HBx A 104 GLU HGx 1.0 . 2.72 367 267 A 104 GLU HGy A 104 GLU HBx 1.0 . 2.72 368 267 A 104 GLU HBy A 104 GLU HGy 1.0 . 2.72 369 268 A 104 GLU HA A 104 GLU HGx 1.0 . 3.40 370 268 A 104 GLU HGy A 104 GLU HA 1.0 . 3.40 371 269 A 104 GLU H A 104 GLU HGx 1.0 . 3.86 372 269 A 104 GLU HGy A 104 GLU H 1.0 . 3.86 373 270 A 105 VAL H A 104 GLU HGx 1.0 . 4.42 374 270 A 105 VAL H A 104 GLU HGy 1.0 . 4.42 375 271 A 114 GLU HA A 114 GLU HGy 1.0 . 3.91 376 272 A 99 GLU HA A 99 GLU HGy 1.0 . 3.93 377 273 A 100 PHE H A 99 GLU HGy 1.0 . 5.43 378 274 A 100 PHE H A 99 GLU HGx 1.0 . 5.43 379 275 A 76 GLU HA A 76 GLU HGx 1.0 . 4.16 380 276 A 79 CYS HA A 76 GLU HGx 1.0 . 4.32 381 277 A 79 CYS HA A 76 GLU HGy 1.0 . 4.26 382 278 A 76 GLU HGy A 79 CYS H 1.0 . 5.16 383 279 A 76 GLU H A 76 GLU HGx 1.0 . 4.08 384 280 A 76 GLU HGy A 78 LYS H 1.0 . 5.25 385 281 A 76 GLU HGy A 75 GLN H 1.0 . 5.30 386 282 A 76 GLU HGx A 75 GLN H 1.0 . 5.33 387 283 A 74 CYS HA A 76 GLU HGx 1.0 . 5.50 388 284 A 74 CYS HA A 76 GLU HGy 1.0 . 5.24 389 285 A 76 GLU HGy A 79 CYS HBy 1.0 . 5.17 390 286 A 76 GLU HGx A 79 CYS HBy 1.0 . 4.77 391 287 A 18 GLN HA A 18 GLN HGy 1.0 . 3.73 392 288 A 69 TYR HE% A 14 GLN HGy 1.0 . 4.39 393 289 A 37 GLN H A 37 GLN HGx 1.0 . 3.68 394 290 A 43 VAL HB A 44 GLN HGx 1.0 . 3.72 395 290 A 44 GLN HGy A 43 VAL HB 1.0 . 3.72 396 291 A 39 MET HGy A 35 SER HBx 1.0 . 5.10 397 292 A 20 LEU HA A 39 MET HGx 1.0 . 4.08 398 293 A 39 MET HGy A 35 SER HA 1.0 . 5.25 399 294 A 36 CYS HA A 39 MET HGy 1.0 . 5.50 400 295 A 24 ALA HB% A 25 GLN HGx 1.0 . 5.29 401 296 A 25 GLN HGx A 21 VAL HGx% 1.0 . 4.50 402 296 A 21 VAL HGy% A 25 GLN HGx 1.0 . 4.50 403 297 A 25 GLN HA A 25 GLN HGx 1.0 . 3.91 404 298 A 22 HIS HA A 25 GLN HGx 1.0 . 4.43 405 299 A 25 GLN HGy A 24 ALA HB% 1.0 . 4.23 406 300 A 25 GLN HGy A 21 VAL HGx% 1.0 . 4.23 407 300 A 21 VAL HGy% A 25 GLN HGy 1.0 . 4.23 408 301 A 90 LYS HBx A 90 LYS HDx 1.0 . 3.49 409 301 A 90 LYS HBy A 90 LYS HDx 1.0 . 3.49 410 301 A 90 LYS HDy A 90 LYS HBx 1.0 . 3.49 411 301 A 90 LYS HDy A 90 LYS HBy 1.0 . 3.49 412 302 A 87 ILE HA A 90 LYS HBx 1.0 . 4.53 413 302 A 87 ILE HA A 90 LYS HBy 1.0 . 4.53 414 303 A 92 THR HG2% A 90 LYS HBx 1.0 . 5.12 415 303 A 90 LYS HBy A 92 THR HG2% 1.0 . 5.12 416 304 A 120 VAL HB A 121 GLN H 1.0 . 4.67 417 305 A 38 LYS H A 38 LYS HBx 1.0 . 4.01 418 305 A 38 LYS H A 38 LYS HBy 1.0 . 4.01 419 306 A 123 ILE H A 122 PRO HBy 1.0 . 4.63 420 307 A 39 MET HBx A 40 LYS H 1.0 . 4.77 421 308 A 46 THR HG2% A 47 LYS HBx 1.0 . 3.61 422 308 A 46 THR HG2% A 47 LYS HBy 1.0 . 3.61 423 309 A 59 ILE HG2% A 42 VAL HB 1.0 . 5.33 424 310 A 39 MET HA A 42 VAL HB 1.0 . 3.95 425 311 A 25 GLN H A 25 GLN HBx 1.0 . 4.17 426 312 A 31 CYS H A 31 CYS HBy 1.0 . 3.48 427 313 A 64 ILE H A 64 ILE HG1y 1.0 . 4.37 428 314 A 74 CYS HBx A 73 HIS HBy 1.0 . 5.50 429 315 A 38 LYS HA A 41 ARG HBy 1.0 . 4.65 430 316 A 81 VAL HB A 84 CYS HBx 1.0 . 4.10 431 317 A 87 ILE HB A 84 CYS HBx 1.0 . 5.49 432 318 A 33 LEU HBx A 36 CYS HBx 1.0 . 4.06 433 319 A 33 LEU HBy A 36 CYS HBx 1.0 . 4.56 434 320 A 84 CYS HBx A 85 LEU HBx 1.0 . 5.46 435 320 A 84 CYS HBx A 85 LEU HBy 1.0 . 5.46 436 321 A 70 HIS HD2 A 84 CYS HBx 1.0 . 4.50 437 322 A 70 HIS HD2 A 84 CYS HBy 1.0 . 4.13 438 323 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.94 439 323 A 17 ILE HG2% A 17 ILE HG1y 1.0 . 3.94 440 324 A 17 ILE HG1x A 66 LEU HDx% 1.0 . 4.30 441 324 A 17 ILE HG1y A 66 LEU HDx% 1.0 . 4.30 442 324 A 66 LEU HDy% A 17 ILE HG1x 1.0 . 4.30 443 324 A 66 LEU HDy% A 17 ILE HG1y 1.0 . 4.30 444 325 A 13 ILE HG2% A 17 ILE HG1x 1.0 . 4.52 445 325 A 13 ILE HG2% A 17 ILE HG1y 1.0 . 4.52 446 326 A 17 ILE HA A 17 ILE HG1x 1.0 . 4.17 447 326 A 17 ILE HA A 17 ILE HG1y 1.0 . 4.17 448 327 A 26 CYS HBx A 40 LYS HEx 1.0 . 4.42 449 328 A 26 CYS HBx A 40 LYS HEy 1.0 . 4.42 450 329 A 23 ALA HA A 26 CYS HBx 1.0 . 3.98 451 330 A 13 ILE HG1y A 66 LEU HDx% 1.0 . 3.13 452 330 A 13 ILE HG1x A 66 LEU HDx% 1.0 . 3.13 453 330 A 66 LEU HDy% A 13 ILE HG1x 1.0 . 3.13 454 330 A 66 LEU HDy% A 13 ILE HG1y 1.0 . 3.13 455 331 A 13 ILE HG2% A 13 ILE HG1x 1.0 . 3.88 456 331 A 13 ILE HG2% A 13 ILE HG1y 1.0 . 3.88 457 332 A 110 TRP HBx A 113 LEU HDx% 1.0 . 5.22 458 332 A 113 LEU HDy% A 110 TRP HBx 1.0 . 5.22 459 333 A 59 ILE HG1y A 120 VAL HGx% 1.0 . 3.14 460 333 A 59 ILE HG1x A 120 VAL HGx% 1.0 . 3.14 461 333 A 120 VAL HGy% A 59 ILE HG1x 1.0 . 3.14 462 333 A 59 ILE HG1y A 120 VAL HGy% 1.0 . 3.14 463 334 A 109 ILE HG2% A 109 ILE HG1x 1.0 . 4.07 464 334 A 109 ILE HG2% A 109 ILE HG1y 1.0 . 4.07 465 335 A 59 ILE HG2% A 59 ILE HG1x 1.0 . 3.60 466 335 A 59 ILE HG2% A 59 ILE HG1y 1.0 . 3.60 467 336 A 109 ILE HB A 59 ILE HG1x 1.0 . 4.81 468 336 A 59 ILE HG1y A 109 ILE HB 1.0 . 4.81 469 337 A 59 ILE HG1x A 109 ILE HG1x 1.0 . 3.21 470 337 A 59 ILE HG1y A 109 ILE HG1x 1.0 . 3.21 471 337 A 109 ILE HG1y A 59 ILE HG1x 1.0 . 3.21 472 337 A 59 ILE HG1y A 109 ILE HG1y 1.0 . 3.21 473 338 A 109 ILE HA A 59 ILE HG1x 1.0 . 4.41 474 338 A 59 ILE HG1y A 109 ILE HA 1.0 . 4.41 475 339 A 109 ILE H A 59 ILE HG1x 1.0 . 5.50 476 339 A 59 ILE HG1y A 109 ILE H 1.0 . 5.50 477 340 A 112 PHE HD% A 59 ILE HG1x 1.0 . 5.05 478 340 A 59 ILE HG1y A 112 PHE HD% 1.0 . 5.05 479 341 A 38 LYS H A 37 GLN HBx 1.0 . 4.19 480 342 A 44 GLN H A 44 GLN HBx 1.0 . 3.60 481 342 A 44 GLN HBy A 44 GLN H 1.0 . 3.60 482 343 A 37 GLN H A 37 GLN HBx 1.0 . 3.77 483 344 A 19 SER H A 18 GLN HBy 1.0 . 4.15 484 345 A 17 ILE HD1% A 14 GLN HBx 1.0 . 5.50 485 345 A 17 ILE HD1% A 14 GLN HBy 1.0 . 5.50 486 346 A 43 VAL HGx% A 44 GLN HBx 1.0 . 5.50 487 346 A 43 VAL HGx% A 44 GLN HBy 1.0 . 5.50 488 347 A 67 ALA HB% A 70 HIS HBx 1.0 . 5.15 489 348 A 71 ALA HB% A 70 HIS HBx 1.0 . 5.23 490 349 A 17 ILE HD1% A 70 HIS HBx 1.0 . 4.88 491 350 A 67 ALA HA A 70 HIS HBy 1.0 . 4.80 492 351 A 21 VAL HB A 22 HIS HBx 1.0 . 5.06 493 351 A 22 HIS HBy A 21 VAL HB 1.0 . 5.06 494 352 A 51 ARG H A 51 ARG HGx 1.0 . 4.75 495 352 A 51 ARG HGy A 51 ARG H 1.0 . 4.75 496 353 A 59 ILE H A 58 PRO HGx 1.0 . 4.89 497 354 A 42 VAL HA A 45 HIS HBy 1.0 . 4.37 498 355 A 46 THR H A 45 HIS HBy 1.0 . 4.70 499 356 A 20 LEU HBx A 20 LEU HDx% 1.0 . 3.35 500 357 A 113 LEU HDy% A 113 LEU HBx 1.0 . 3.54 501 357 A 113 LEU HBx A 113 LEU HDx% 1.0 . 3.54 502 358 A 109 ILE HG2% A 113 LEU HDx% 1.0 . 4.24 503 358 A 109 ILE HG2% A 113 LEU HDy% 1.0 . 4.24 504 359 A 20 LEU HA A 20 LEU HDx% 1.0 . 4.07 505 360 A 20 LEU H A 20 LEU HDx% 1.0 . 4.62 506 361 A 46 THR HG2% A 63 LEU HDx% 1.0 . 3.60 507 361 A 63 LEU HDy% A 46 THR HG2% 1.0 . 3.60 508 362 A 63 LEU HA A 63 LEU HDx% 1.0 . 3.55 509 362 A 63 LEU HDy% A 63 LEU HA 1.0 . 3.55 510 363 A 43 VAL HA A 63 LEU HDx% 1.0 . 4.56 511 363 A 63 LEU HDy% A 43 VAL HA 1.0 . 4.56 512 364 A 64 ILE HA A 63 LEU HDx% 1.0 . 4.89 513 364 A 63 LEU HDy% A 64 ILE HA 1.0 . 4.89 514 365 A 66 LEU H A 63 LEU HDx% 1.0 . 4.98 515 365 A 63 LEU HDy% A 66 LEU H 1.0 . 4.98 516 366 A 47 LYS HEx A 47 LYS HGx 1.0 . 4.02 517 366 A 47 LYS HEy A 47 LYS HGx 1.0 . 4.02 518 366 A 47 LYS HGy A 47 LYS HEx 1.0 . 4.02 519 366 A 47 LYS HEy A 47 LYS HGy 1.0 . 4.02 520 367 A 47 LYS HA A 47 LYS HGx 1.0 . 3.77 521 367 A 47 LYS HGy A 47 LYS HA 1.0 . 3.77 522 368 A 47 LYS H A 47 LYS HGx 1.0 . 4.12 523 368 A 47 LYS H A 47 LYS HGy 1.0 . 4.12 524 369 A 66 LEU HBy A 66 LEU HDx% 1.0 . 3.53 525 369 A 66 LEU HDy% A 66 LEU HBy 1.0 . 3.53 526 370 A 13 ILE HG2% A 66 LEU HDx% 1.0 . 3.49 527 370 A 66 LEU HDy% A 13 ILE HG2% 1.0 . 3.49 528 371 A 72 LYS HEy A 72 LYS HGx 1.0 . 4.16 529 371 A 72 LYS HEx A 72 LYS HGx 1.0 . 4.16 530 372 A 72 LYS HGy A 72 LYS HEx 1.0 . 4.16 531 372 A 72 LYS HEy A 72 LYS HGy 1.0 . 4.16 532 373 A 69 TYR HA A 72 LYS HGy 1.0 . 5.50 533 374 A 69 TYR HA A 72 LYS HGx 1.0 . 5.50 534 375 A 72 LYS H A 72 LYS HGx 1.0 . 4.38 535 376 A 73 HIS H A 72 LYS HGx 1.0 . 5.02 536 377 A 81 VAL HGy% A 21 VAL HGx% 1.0 . 3.09 537 377 A 21 VAL HGy% A 81 VAL HGy% 1.0 . 3.09 538 378 A 17 ILE HG2% A 81 VAL HGy% 1.0 . 4.14 539 379 A 24 ALA HB% A 81 VAL HGy% 1.0 . 3.45 540 380 A 20 LEU HG A 81 VAL HGy% 1.0 . 4.17 541 381 A 81 VAL HGy% A 80 PRO HGx 1.0 . 4.03 542 381 A 80 PRO HGy A 81 VAL HGy% 1.0 . 4.03 543 382 A 21 VAL HA A 81 VAL HGy% 1.0 . 3.46 544 383 A 81 VAL HA A 81 VAL HGy% 1.0 . 3.32 545 384 A 70 HIS HD2 A 81 VAL HGy% 1.0 . 4.63 546 385 A 81 VAL HGy% A 85 LEU H 1.0 . 5.50 547 386 A 11 LEU H A 11 LEU HDy% 1.0 . 4.55 548 387 A 20 LEU HBx A 20 LEU HDy% 1.0 . 3.35 549 388 A 42 VAL HA A 42 VAL HGx% 1.0 . 3.55 550 389 A 43 VAL HGx% A 24 ALA HA 1.0 . 3.58 551 390 A 39 MET HA A 42 VAL HGx% 1.0 . 4.65 552 391 A 43 VAL HGx% A 43 VAL H 1.0 . 3.81 553 392 A 43 VAL HA A 46 THR HG2% 1.0 . 3.79 554 393 A 46 THR HG2% A 46 THR HA 1.0 . 3.58 555 394 A 46 THR HG2% A 47 LYS H 1.0 . 3.81 556 395 A 46 THR HG2% A 45 HIS HD2 1.0 . 4.20 557 396 A 53 THR HA A 53 THR HG2% 1.0 . 3.44 558 397 A 92 THR HG2% A 92 THR HA 1.0 . 3.39 559 398 A 105 VAL HA A 105 VAL HGx% 1.0 . 3.46 560 399 A 92 THR HG2% A 92 THR H 1.0 . 4.18 561 400 A 105 VAL HA A 105 VAL HGy% 1.0 . 3.46 562 401 A 108 HIS HD2 A 105 VAL HGy% 1.0 . 4.97 563 402 A 39 MET HBy A 23 ALA HB% 1.0 . 3.42 564 403 A 39 MET HGx A 23 ALA HB% 1.0 . 3.72 565 404 A 23 ALA HB% A 39 MET HGy 1.0 . 3.86 566 405 A 23 ALA HB% A 39 MET HBx 1.0 . 3.21 567 406 A 71 ALA HB% A 71 ALA H 1.0 . 3.23 568 407 A 71 ALA HB% A 70 HIS HD2 1.0 . 3.93 569 408 A 71 ALA HB% A 68 ALA HA 1.0 . 3.19 570 409 A 23 ALA HB% A 22 HIS HBx 1.0 . 4.34 571 409 A 23 ALA HB% A 22 HIS HBy 1.0 . 4.34 572 410 A 87 ILE HB A 71 ALA HB% 1.0 . 3.26 573 411 A 71 ALA HB% A 87 ILE HG2% 1.0 . 3.05 574 412 A 67 ALA HB% A 87 ILE HD1% 1.0 . 3.33 575 413 A 81 VAL HGx% A 67 ALA HB% 1.0 . 3.68 576 414 A 67 ALA HB% A 83 PHE HBx 1.0 . 3.92 577 415 A 64 ILE HA A 67 ALA HB% 1.0 . 3.32 578 416 A 67 ALA HB% A 68 ALA HA 1.0 . 4.27 579 417 A 67 ALA HB% A 70 HIS HD2 1.0 . 4.69 580 418 A 24 ALA HB% A 21 VAL HGx% 1.0 . 3.92 581 418 A 21 VAL HGy% A 24 ALA HB% 1.0 . 3.92 582 419 A 43 VAL HGx% A 24 ALA HB% 1.0 . 4.31 583 420 A 81 VAL HA A 24 ALA HB% 1.0 . 3.50 584 421 A 21 VAL HA A 24 ALA HB% 1.0 . 3.69 585 422 A 16 ALA HB% A 66 LEU HDx% 1.0 . 3.30 586 422 A 16 ALA HB% A 66 LEU HDy% 1.0 . 3.30 587 423 A 29 ALA HB% A 30 ASN HA 1.0 . 3.89 588 424 A 65 ALA HB% A 65 ALA H 1.0 . 3.15 589 425 A 65 ALA HB% A 66 LEU H 1.0 . 3.61 590 426 A 17 ILE HG2% A 70 HIS HBy 1.0 . 3.91 591 427 A 17 ILE HA A 17 ILE HG2% 1.0 . 3.47 592 428 A 17 ILE HG2% A 70 HIS HBx 1.0 . 4.38 593 429 A 18 GLN HA A 17 ILE HG2% 1.0 . 4.14 594 430 A 14 GLN HA A 17 ILE HG2% 1.0 . 4.39 595 431 A 21 VAL H A 17 ILE HG2% 1.0 . 4.08 596 432 A 17 ILE HG2% A 70 HIS H 1.0 . 5.41 597 433 A 59 ILE HG2% A 59 ILE HA 1.0 . 3.38 598 434 A 59 ILE HG2% A 60 CYS HA 1.0 . 4.15 599 435 A 59 ILE HG2% A 112 PHE HE% 1.0 . 4.94 600 436 A 59 ILE HG2% A 112 PHE HZ 1.0 . 5.15 601 437 A 59 ILE HG2% A 46 THR H 1.0 . 4.70 602 438 A 59 ILE HG2% A 63 LEU H 1.0 . 4.61 603 439 A 17 ILE HD1% A 17 ILE HG2% 1.0 . 3.22 604 440 A 17 ILE HG2% A 21 VAL HGx% 1.0 . 3.35 605 440 A 21 VAL HGy% A 17 ILE HG2% 1.0 . 3.35 606 441 A 87 ILE HA A 87 ILE HG2% 1.0 . 3.35 607 442 A 93 ILE HA A 93 ILE HG2% 1.0 . 3.29 608 443 A 87 ILE HG2% A 68 ALA HA 1.0 . 3.26 609 444 A 117 ILE HA A 117 ILE HG2% 1.0 . 3.42 610 445 A 64 ILE HA A 64 ILE HG2% 1.0 . 3.61 611 446 A 64 ILE HG2% A 65 ALA HA 1.0 . 4.05 612 447 A 64 ILE HG2% A 65 ALA H 1.0 . 3.92 613 448 A 13 ILE HG2% A 17 ILE HD1% 1.0 . 3.24 614 449 A 13 ILE HG2% A 14 GLN HA 1.0 . 4.08 615 450 A 13 ILE HG2% A 13 ILE H 1.0 . 4.20 616 451 A 17 ILE HD1% A 17 ILE HB 1.0 . 3.61 617 452 A 17 ILE HD1% A 70 HIS HBy 1.0 . 3.73 618 453 A 17 ILE HA A 17 ILE HD1% 1.0 . 3.86 619 454 A 17 ILE HD1% A 66 LEU HA 1.0 . 4.17 620 455 A 109 ILE HD1% A 59 ILE HG1x 1.0 . 3.48 621 455 A 59 ILE HG1y A 109 ILE HD1% 1.0 . 3.48 622 456 A 109 ILE HB A 109 ILE HD1% 1.0 . 3.60 623 457 A 109 ILE HA A 109 ILE HD1% 1.0 . 4.04 624 458 A 106 PHE HA A 109 ILE HD1% 1.0 . 4.18 625 459 A 87 ILE HB A 87 ILE HD1% 1.0 . 3.50 626 460 A 64 ILE HG2% A 64 ILE HD1% 1.0 . 3.18 627 461 A 64 ILE HD1% A 64 ILE HB 1.0 . 3.70 628 462 A 64 ILE HA A 64 ILE HD1% 1.0 . 4.12 629 463 A 83 PHE HD% A 64 ILE HD1% 1.0 . 4.50 630 464 A 64 ILE H A 64 ILE HD1% 1.0 . 4.36 631 465 A 13 ILE HD1% A 13 ILE HB 1.0 . 3.58 632 466 A 13 ILE HA A 13 ILE HD1% 1.0 . 4.09 633 467 A 13 ILE HD1% A 66 LEU HDx% 1.0 . 3.56 634 467 A 66 LEU HDy% A 13 ILE HD1% 1.0 . 3.56 635 468 A 13 ILE HD1% A 69 TYR HD% 1.0 . 4.19 636 469 A 13 ILE HD1% A 69 TYR HE% 1.0 . 4.60 637 470 A 13 ILE HD1% A 13 ILE H 1.0 . 4.20 638 471 A 59 ILE HG2% A 59 ILE HD1% 1.0 . 3.13 639 472 A 59 ILE HD1% A 120 VAL HGx% 1.0 . 3.26 640 472 A 120 VAL HGy% A 59 ILE HD1% 1.0 . 3.26 641 473 A 59 ILE HB A 59 ILE HD1% 1.0 . 3.52 642 474 A 59 ILE HA A 59 ILE HD1% 1.0 . 4.17 643 475 A 59 ILE H A 59 ILE HD1% 1.0 . 4.24 644 476 A 112 PHE HZ A 59 ILE HD1% 1.0 . 4.55 645 477 A 100 PHE H A 101 LEU HDx% 1.0 . 5.03 646 477 A 101 LEU HDy% A 100 PHE H 1.0 . 5.03 647 478 A 102 SER H A 101 LEU HDx% 1.0 . 5.37 648 478 A 101 LEU HDy% A 102 SER H 1.0 . 5.37 649 479 A 33 LEU HBy A 33 LEU HDy% 1.0 . 3.77 650 480 A 81 VAL HB A 84 CYS HBy 1.0 . 4.14 651 481 A 59 ILE HA A 109 ILE HD1% 1.0 . 4.73 652 482 A 107 GLN HA A 110 TRP HBx 1.0 . 5.30 653 483 A 113 LEU HDy% A 113 LEU HBy 1.0 . 3.54 654 483 A 113 LEU HBy A 113 LEU HDx% 1.0 . 3.54 655 484 A 62 GLN H A 58 PRO HA 1.0 . 4.75 656 485 A 62 GLN H A 62 GLN HGx 1.0 . 3.46 657 485 A 62 GLN H A 62 GLN HGy 1.0 . 3.46 658 486 A 62 GLN H A 61 LYS HBy 1.0 . 3.85 659 487 A 62 GLN H A 61 LYS HBx 1.0 . 3.85 660 488 A 62 GLN H A 61 LYS HGx 1.0 . 4.80 661 488 A 62 GLN H A 61 LYS HGy 1.0 . 4.80 662 489 A 16 ALA HA A 110 TRP HE1 1.0 . 5.50 663 490 A 107 GLN HA A 110 TRP HE1 1.0 . 4.72 664 491 A 110 TRP HBy A 110 TRP HE1 1.0 . 5.23 665 492 A 45 HIS H A 46 THR H 1.0 . 3.42 666 493 A 28 ASN HA A 29 ALA H 1.0 . 3.21 667 494 A 29 ALA H A 28 ASN HBy 1.0 . 4.96 668 495 A 29 ALA H A 28 ASN HBx 1.0 . 4.96 669 496 A 29 ALA HB% A 29 ALA H 1.0 . 3.42 670 497 A 26 CYS HA A 27 ARG H 1.0 . 3.08 671 498 A 27 ARG H A 27 ARG HDx 1.0 . 5.35 672 498 A 27 ARG HDy A 27 ARG H 1.0 . 5.35 673 499 A 27 ARG H A 28 ASN HBy 1.0 . 5.08 674 500 A 27 ARG H A 28 ASN HBx 1.0 . 5.08 675 501 A 26 CYS HBy A 27 ARG H 1.0 . 5.15 676 502 A 110 TRP HE1 A 107 GLN H 1.0 . 5.50 677 503 A 16 ALA HB% A 110 TRP HE1 1.0 . 4.57 678 504 A 109 ILE HG2% A 110 TRP HE1 1.0 . 5.41 679 505 A 123 ILE HB A 124 ASP H 1.0 . 4.23 680 506 A 124 ASP H A 123 ILE HG1y 1.0 . 5.04 681 507 A 124 ASP H A 123 ILE HG1x 1.0 . 5.04 682 508 A 123 ILE HG2% A 124 ASP H 1.0 . 4.13 683 509 A 36 CYS H A 33 LEU H 1.0 . 4.78 684 510 A 33 LEU H A 34 PRO HDx 1.0 . 4.61 685 510 A 33 LEU H A 34 PRO HDy 1.0 . 4.61 686 511 A 33 LEU H A 36 CYS HBx 1.0 . 4.26 687 512 A 33 LEU H A 36 CYS HBy 1.0 . 4.37 688 513 A 33 LEU H A 33 LEU HBx 1.0 . 2.77 689 514 A 33 LEU H A 33 LEU HBy 1.0 . 3.59 690 515 A 74 CYS HA A 75 GLN H 1.0 . 2.98 691 516 A 75 GLN H A 75 GLN HGx 1.0 . 3.87 692 516 A 75 GLN HGy A 75 GLN H 1.0 . 3.87 693 517 A 75 GLN H A 75 GLN HBx 1.0 . 3.70 694 517 A 75 GLN H A 75 GLN HBy 1.0 . 3.70 695 518 A 49 CYS HA A 50 LYS H 1.0 . 3.44 696 519 A 79 CYS HA A 81 VAL H 1.0 . 4.45 697 520 A 81 VAL H A 80 PRO HDy 1.0 . 4.50 698 521 A 81 VAL H A 80 PRO HDx 1.0 . 4.50 699 522 A 84 CYS HBx A 81 VAL H 1.0 . 4.74 700 523 A 79 CYS HBy A 81 VAL H 1.0 . 5.31 701 524 A 81 VAL HB A 81 VAL H 1.0 . 3.13 702 525 A 81 VAL H A 80 PRO HGx 1.0 . 4.27 703 525 A 80 PRO HGy A 81 VAL H 1.0 . 4.27 704 526 A 24 ALA HB% A 81 VAL H 1.0 . 4.53 705 527 A 81 VAL H A 21 VAL HGx% 1.0 . 4.69 706 527 A 21 VAL HGy% A 81 VAL H 1.0 . 4.69 707 528 A 81 VAL HGx% A 81 VAL H 1.0 . 3.94 708 529 A 81 VAL HGy% A 81 VAL H 1.0 . 3.15 709 530 A 36 CYS H A 35 SER H 1.0 . 3.70 710 531 A 36 CYS H A 22 HIS HD2 1.0 . 3.90 711 532 A 36 CYS H A 33 LEU HA 1.0 . 4.85 712 533 A 36 CYS H A 36 CYS HBx 1.0 . 3.13 713 534 A 36 CYS H A 36 CYS HBy 1.0 . 3.17 714 535 A 36 CYS H A 39 MET HGx 1.0 . 5.50 715 536 A 36 CYS H A 34 PRO HGx 1.0 . 4.74 716 536 A 36 CYS H A 34 PRO HGy 1.0 . 4.74 717 537 A 36 CYS H A 33 LEU HBx 1.0 . 3.72 718 538 A 36 CYS H A 33 LEU HBy 1.0 . 3.89 719 539 A 78 LYS H A 77 ASN H 1.0 . 4.29 720 540 A 76 GLU HA A 77 ASN H 1.0 . 3.32 721 541 A 77 ASN H A 77 ASN HBx 1.0 . 3.83 722 541 A 77 ASN HBy A 77 ASN H 1.0 . 3.83 723 542 A 77 ASN H A 76 GLU HBy 1.0 . 4.86 724 543 A 21 VAL H A 20 LEU H 1.0 . 3.31 725 544 A 17 ILE HA A 20 LEU H 1.0 . 3.80 726 545 A 21 VAL HA A 20 LEU H 1.0 . 5.50 727 546 A 20 LEU H A 22 HIS HBx 1.0 . 5.50 728 546 A 22 HIS HBy A 20 LEU H 1.0 . 5.50 729 547 A 39 MET HGx A 20 LEU H 1.0 . 4.79 730 548 A 20 LEU HBy A 20 LEU H 1.0 . 3.15 731 549 A 20 LEU HBx A 20 LEU H 1.0 . 3.18 732 550 A 20 LEU HG A 20 LEU H 1.0 . 4.58 733 551 A 20 LEU H A 17 ILE HG1x 1.0 . 5.06 734 551 A 17 ILE HG1y A 20 LEU H 1.0 . 5.06 735 552 A 17 ILE HG2% A 20 LEU H 1.0 . 4.70 736 553 A 20 LEU H A 20 LEU HDy% 1.0 . 4.62 737 554 A 20 LEU H A 21 VAL HGx% 1.0 . 4.98 738 554 A 21 VAL HGy% A 20 LEU H 1.0 . 4.98 739 555 A 119 SER HA A 121 GLN H 1.0 . 4.80 740 556 A 120 VAL HA A 121 GLN H 1.0 . 2.99 741 557 A 121 GLN H A 121 GLN HBy 1.0 . 3.84 742 558 A 121 GLN H A 121 GLN HBx 1.0 . 3.84 743 559 A 121 GLN H A 120 VAL HGx% 1.0 . 3.78 744 559 A 120 VAL HGy% A 121 GLN H 1.0 . 3.78 745 560 A 92 THR HA A 94 GLU H 1.0 . 4.98 746 561 A 94 GLU H A 95 GLY HAx 1.0 . 5.50 747 561 A 95 GLY HAy A 94 GLU H 1.0 . 5.50 748 562 A 94 GLU H A 94 GLU HGx 1.0 . 4.10 749 562 A 94 GLU HGy A 94 GLU H 1.0 . 4.10 750 563 A 93 ILE HB A 94 GLU H 1.0 . 3.94 751 564 A 92 THR HG2% A 94 GLU H 1.0 . 5.50 752 565 A 93 ILE HG2% A 94 GLU H 1.0 . 4.20 753 566 A 24 ALA H A 26 CYS H 1.0 . 4.45 754 567 A 27 ARG H A 26 CYS H 1.0 . 4.50 755 568 A 23 ALA HA A 26 CYS H 1.0 . 3.95 756 569 A 26 CYS H A 40 LYS HEy 1.0 . 4.74 757 570 A 26 CYS H A 40 LYS HEx 1.0 . 4.74 758 571 A 26 CYS HBy A 26 CYS H 1.0 . 3.19 759 572 A 25 GLN HGx A 26 CYS H 1.0 . 4.49 760 573 A 26 CYS HBx A 26 CYS H 1.0 . 3.01 761 574 A 23 ALA HB% A 26 CYS H 1.0 . 5.04 762 575 A 24 ALA HB% A 26 CYS H 1.0 . 4.67 763 576 A 33 LEU H A 32 SER H 1.0 . 3.76 764 577 A 31 CYS HA A 32 SER H 1.0 . 2.96 765 578 A 32 SER H A 31 CYS HBx 1.0 . 4.59 766 579 A 33 LEU HBx A 32 SER H 1.0 . 4.67 767 580 A 83 PHE H A 84 CYS H 1.0 . 3.93 768 581 A 70 HIS HD2 A 84 CYS H 1.0 . 4.76 769 582 A 83 PHE HBy A 84 CYS H 1.0 . 4.56 770 583 A 84 CYS HBx A 84 CYS H 1.0 . 3.49 771 584 A 84 CYS HBy A 84 CYS H 1.0 . 3.68 772 585 A 81 VAL HB A 84 CYS H 1.0 . 4.46 773 586 A 67 ALA HB% A 84 CYS H 1.0 . 4.40 774 587 A 81 VAL HGx% A 84 CYS H 1.0 . 4.20 775 588 A 15 ARG H A 16 ALA H 1.0 . 3.12 776 589 A 16 ALA H A 17 ILE H 1.0 . 3.32 777 590 A 13 ILE HA A 16 ALA H 1.0 . 3.87 778 591 A 16 ALA H A 14 GLN HBx 1.0 . 5.05 779 591 A 14 GLN HBy A 16 ALA H 1.0 . 5.05 780 592 A 16 ALA H A 15 ARG HGx 1.0 . 4.33 781 592 A 15 ARG HGy A 16 ALA H 1.0 . 4.33 782 593 A 16 ALA HB% A 16 ALA H 1.0 . 2.87 783 594 A 16 ALA H A 66 LEU HDx% 1.0 . 4.48 784 594 A 66 LEU HDy% A 16 ALA H 1.0 . 4.48 785 595 A 13 ILE HG2% A 16 ALA H 1.0 . 4.78 786 596 A 79 CYS H A 78 LYS HA 1.0 . 3.52 787 597 A 79 CYS H A 79 CYS HBy 1.0 . 3.41 788 598 A 79 CYS H A 79 CYS HBx 1.0 . 3.44 789 599 A 79 CYS H A 76 GLU HGx 1.0 . 4.63 790 600 A 79 CYS H A 76 GLU HBy 1.0 . 4.84 791 601 A 79 CYS H A 85 LEU HDx% 1.0 . 3.79 792 601 A 85 LEU HDy% A 79 CYS H 1.0 . 3.79 793 602 A 60 CYS H A 61 LYS H 1.0 . 3.63 794 603 A 59 ILE H A 60 CYS H 1.0 . 3.35 795 604 A 60 CYS H A 60 CYS HBy 1.0 . 3.76 796 605 A 60 CYS H A 60 CYS HBx 1.0 . 3.76 797 606 A 46 THR HA A 60 CYS H 1.0 . 5.50 798 607 A 61 LYS HA A 60 CYS H 1.0 . 5.50 799 608 A 58 PRO HGx A 60 CYS H 1.0 . 5.23 800 609 A 59 ILE HB A 60 CYS H 1.0 . 3.31 801 610 A 59 ILE HG2% A 60 CYS H 1.0 . 3.99 802 611 A 60 CYS H A 120 VAL HGx% 1.0 . 5.50 803 611 A 120 VAL HGy% A 60 CYS H 1.0 . 5.50 804 612 A 60 CYS H A 59 ILE HG1x 1.0 . 4.43 805 612 A 59 ILE HG1y A 60 CYS H 1.0 . 4.43 806 613 A 59 ILE HD1% A 60 CYS H 1.0 . 4.72 807 614 A 70 HIS HA A 74 CYS H 1.0 . 5.14 808 615 A 71 ALA HA A 74 CYS H 1.0 . 3.79 809 616 A 73 HIS HBy A 74 CYS H 1.0 . 4.64 810 617 A 75 GLN H A 74 CYS H 1.0 . 4.57 811 618 A 74 CYS H A 73 HIS HBx 1.0 . 4.49 812 619 A 74 CYS HBx A 74 CYS H 1.0 . 3.18 813 620 A 74 CYS HBy A 74 CYS H 1.0 . 3.22 814 621 A 71 ALA HB% A 74 CYS H 1.0 . 4.34 815 622 A 10 ARG HA A 13 ILE H 1.0 . 4.41 816 623 A 13 ILE H A 12 SER HBy 1.0 . 4.59 817 624 A 13 ILE H A 12 SER HBx 1.0 . 4.59 818 625 A 13 ILE HB A 13 ILE H 1.0 . 3.31 819 626 A 13 ILE H A 13 ILE HG1x 1.0 . 3.54 820 626 A 13 ILE HG1y A 13 ILE H 1.0 . 3.54 821 627 A 48 GLY H A 49 CYS H 1.0 . 2.95 822 628 A 50 LYS H A 49 CYS H 1.0 . 4.65 823 629 A 50 LYS HA A 49 CYS H 1.0 . 5.50 824 630 A 46 THR HA A 49 CYS H 1.0 . 3.72 825 631 A 49 CYS H A 49 CYS HBy 1.0 . 3.00 826 632 A 49 CYS H A 49 CYS HBx 1.0 . 3.00 827 633 A 49 CYS H A 47 LYS HBx 1.0 . 4.86 828 633 A 47 LYS HBy A 49 CYS H 1.0 . 4.86 829 634 A 46 THR HG2% A 49 CYS H 1.0 . 5.01 830 635 A 31 CYS H A 30 ASN H 1.0 . 2.95 831 636 A 31 CYS H A 32 SER H 1.0 . 4.42 832 637 A 31 CYS H A 29 ALA H 1.0 . 4.61 833 638 A 31 CYS H A 31 CYS HBx 1.0 . 2.61 834 639 A 31 CYS H A 29 ALA HB% 1.0 . 4.67 835 640 A 100 PHE H A 101 LEU H 1.0 . 4.54 836 641 A 101 LEU H A 100 PHE HA 1.0 . 3.24 837 642 A 100 PHE HBy A 101 LEU H 1.0 . 4.73 838 643 A 100 PHE HBx A 101 LEU H 1.0 . 4.39 839 644 A 101 LEU H A 101 LEU HG 1.0 . 4.07 840 645 A 101 LEU H A 101 LEU HDx% 1.0 . 4.31 841 645 A 101 LEU HDy% A 101 LEU H 1.0 . 4.31 842 646 A 9 ARG H A 8 SER HBx 1.0 . 3.99 843 646 A 8 SER HBy A 9 ARG H 1.0 . 3.99 844 647 A 9 ARG H A 9 ARG HBx 1.0 . 3.18 845 647 A 9 ARG H A 9 ARG HBy 1.0 . 3.18 846 648 A 76 GLU H A 75 GLN H 1.0 . 3.76 847 649 A 76 GLU H A 77 ASN H 1.0 . 4.69 848 650 A 76 GLU H A 79 CYS HBy 1.0 . 4.57 849 651 A 76 GLU H A 79 CYS HBx 1.0 . 5.50 850 652 A 76 GLU H A 76 GLU HGy 1.0 . 3.49 851 653 A 56 GLY H A 57 CYS H 1.0 . 3.91 852 654 A 57 CYS H A 52 LYS HA 1.0 . 4.20 853 655 A 57 CYS H A 56 GLY HAy 1.0 . 3.47 854 656 A 57 CYS H A 56 GLY HAx 1.0 . 3.47 855 657 A 57 CYS H A 57 CYS HBy 1.0 . 3.56 856 658 A 57 CYS H A 51 ARG HDx 1.0 . 4.96 857 658 A 51 ARG HDy A 57 CYS H 1.0 . 4.96 858 659 A 57 CYS H A 57 CYS HBx 1.0 . 3.56 859 660 A 57 CYS H A 51 ARG HBx 1.0 . 4.05 860 660 A 51 ARG HBy A 57 CYS H 1.0 . 4.05 861 661 A 93 ILE H A 94 GLU H 1.0 . 3.30 862 662 A 93 ILE H A 92 THR HA 1.0 . 3.55 863 663 A 93 ILE H A 92 THR HG2% 1.0 . 4.33 864 664 A 93 ILE H A 93 ILE HG2% 1.0 . 3.87 865 665 A 70 HIS HD2 A 71 ALA H 1.0 . 4.26 866 666 A 71 ALA H A 68 ALA HA 1.0 . 4.40 867 667 A 71 ALA H A 70 HIS HBx 1.0 . 4.06 868 668 A 71 ALA H A 70 HIS HBy 1.0 . 4.32 869 669 A 87 ILE HG2% A 71 ALA H 1.0 . 5.13 870 670 A 51 ARG H A 50 LYS H 1.0 . 3.64 871 671 A 49 CYS HA A 51 ARG H 1.0 . 4.06 872 672 A 51 ARG H A 51 ARG HDx 1.0 . 4.68 873 672 A 51 ARG HDy A 51 ARG H 1.0 . 4.68 874 673 A 51 ARG H A 51 ARG HBx 1.0 . 3.21 875 673 A 51 ARG HBy A 51 ARG H 1.0 . 3.21 876 674 A 38 LYS H A 40 LYS H 1.0 . 4.77 877 675 A 36 CYS HA A 40 LYS H 1.0 . 4.30 878 676 A 37 GLN HA A 40 LYS H 1.0 . 4.00 879 677 A 39 MET HGy A 40 LYS H 1.0 . 5.16 880 678 A 39 MET HBy A 40 LYS H 1.0 . 4.02 881 679 A 40 LYS HBy A 40 LYS H 1.0 . 3.23 882 680 A 40 LYS H A 40 LYS HBx 1.0 . 3.47 883 681 A 23 ALA HB% A 40 LYS H 1.0 . 3.72 884 682 A 40 LYS H A 40 LYS HGx 1.0 . 4.01 885 682 A 40 LYS HGy A 40 LYS H 1.0 . 4.01 886 683 A 67 ALA H A 66 LEU H 1.0 . 3.76 887 684 A 64 ILE HA A 67 ALA H 1.0 . 4.28 888 685 A 67 ALA HB% A 67 ALA H 1.0 . 3.21 889 686 A 65 ALA HB% A 67 ALA H 1.0 . 4.95 890 687 A 68 ALA HB% A 67 ALA H 1.0 . 5.35 891 688 A 67 ALA H A 63 LEU HDx% 1.0 . 4.88 892 688 A 63 LEU HDy% A 67 ALA H 1.0 . 4.88 893 689 A 67 ALA H A 66 LEU HDx% 1.0 . 4.38 894 689 A 66 LEU HDy% A 67 ALA H 1.0 . 4.38 895 690 A 39 MET HA A 42 VAL H 1.0 . 3.81 896 691 A 38 LYS HA A 42 VAL H 1.0 . 5.50 897 692 A 43 VAL HA A 42 VAL H 1.0 . 5.21 898 693 A 42 VAL H A 41 ARG HDx 1.0 . 4.93 899 693 A 41 ARG HDy A 42 VAL H 1.0 . 4.93 900 694 A 42 VAL HB A 42 VAL H 1.0 . 3.22 901 695 A 42 VAL H A 41 ARG HBy 1.0 . 4.13 902 696 A 42 VAL H A 41 ARG HBx 1.0 . 4.13 903 697 A 42 VAL H A 42 VAL HGx% 1.0 . 3.92 904 698 A 42 VAL H A 42 VAL HGy% 1.0 . 3.92 905 699 A 5 PRO HA A 7 ASP H 1.0 . 5.05 906 700 A 7 ASP H A 6 GLY HAx 1.0 . 3.32 907 700 A 6 GLY HAy A 7 ASP H 1.0 . 3.32 908 701 A 7 ASP H A 7 ASP HBx 1.0 . 3.23 909 701 A 7 ASP HBy A 7 ASP H 1.0 . 3.23 910 702 A 119 SER H A 120 VAL H 1.0 . 3.97 911 703 A 119 SER HA A 120 VAL H 1.0 . 3.20 912 704 A 120 VAL H A 119 SER HBx 1.0 . 4.21 913 704 A 120 VAL H A 119 SER HBy 1.0 . 4.21 914 705 A 120 VAL HB A 120 VAL H 1.0 . 3.56 915 706 A 120 VAL H A 120 VAL HGx% 1.0 . 3.32 916 706 A 120 VAL HGy% A 120 VAL H 1.0 . 3.32 917 707 A 116 PRO HA A 117 ILE H 1.0 . 2.81 918 708 A 117 ILE H A 116 PRO HBx 1.0 . 4.05 919 708 A 116 PRO HBy A 117 ILE H 1.0 . 4.05 920 709 A 117 ILE HB A 117 ILE H 1.0 . 3.78 921 710 A 117 ILE H A 117 ILE HG1y 1.0 . 4.27 922 711 A 117 ILE H A 117 ILE HG1x 1.0 . 4.27 923 712 A 117 ILE HG2% A 117 ILE H 1.0 . 3.99 924 713 A 23 ALA H A 22 HIS H 1.0 . 3.55 925 714 A 19 SER HA A 23 ALA H 1.0 . 4.43 926 715 A 23 ALA H A 22 HIS HBx 1.0 . 3.23 927 715 A 22 HIS HBy A 23 ALA H 1.0 . 3.23 928 716 A 23 ALA HB% A 23 ALA H 1.0 . 3.12 929 717 A 23 ALA H A 24 ALA HB% 1.0 . 4.69 930 718 A 23 ALA H A 21 VAL HGx% 1.0 . 4.76 931 718 A 21 VAL HGy% A 23 ALA H 1.0 . 4.76 932 719 A 84 CYS HA A 87 ILE H 1.0 . 4.43 933 720 A 87 ILE H A 86 ASN HBx 1.0 . 3.92 934 720 A 87 ILE H A 86 ASN HBy 1.0 . 3.92 935 721 A 71 ALA HB% A 87 ILE H 1.0 . 4.77 936 722 A 87 ILE HG2% A 87 ILE H 1.0 . 4.22 937 723 A 98 ASN H A 99 GLU H 1.0 . 3.95 938 724 A 100 PHE H A 99 GLU H 1.0 . 4.08 939 725 A 99 GLU H A 97 GLY HAx 1.0 . 5.36 940 725 A 97 GLY HAy A 99 GLU H 1.0 . 5.36 941 726 A 99 GLU H A 98 ASN HBx 1.0 . 4.15 942 726 A 99 GLU H A 98 ASN HBy 1.0 . 4.15 943 727 A 79 CYS H A 78 LYS H 1.0 . 3.80 944 728 A 78 LYS H A 77 ASN HBx 1.0 . 3.85 945 728 A 77 ASN HBy A 78 LYS H 1.0 . 3.85 946 729 A 76 GLU HGx A 78 LYS H 1.0 . 4.21 947 730 A 78 LYS H A 78 LYS HBx 1.0 . 3.81 948 730 A 78 LYS H A 78 LYS HBy 1.0 . 3.81 949 731 A 78 LYS H A 78 LYS HGx 1.0 . 4.22 950 731 A 78 LYS H A 78 LYS HGy 1.0 . 4.22 951 732 A 78 LYS H A 85 LEU HDx% 1.0 . 5.41 952 732 A 85 LEU HDy% A 78 LYS H 1.0 . 5.41 953 733 A 11 LEU H A 10 ARG HBx 1.0 . 3.56 954 733 A 10 ARG HBy A 11 LEU H 1.0 . 3.56 955 734 A 11 LEU HG A 11 LEU H 1.0 . 3.21 956 735 A 11 LEU H A 11 LEU HDx% 1.0 . 4.55 957 736 A 115 GLN H A 111 ASP HA 1.0 . 5.50 958 737 A 115 GLN H A 116 PRO HDy 1.0 . 5.31 959 738 A 27 ARG H A 28 ASN H 1.0 . 3.65 960 739 A 29 ALA H A 28 ASN H 1.0 . 4.61 961 740 A 31 CYS H A 28 ASN H 1.0 . 4.80 962 741 A 27 ARG HA A 28 ASN H 1.0 . 3.40 963 742 A 28 ASN H A 28 ASN HBy 1.0 . 3.50 964 743 A 28 ASN H A 28 ASN HBx 1.0 . 3.50 965 744 A 28 ASN H A 27 ARG HBx 1.0 . 4.35 966 744 A 28 ASN H A 27 ARG HBy 1.0 . 4.35 967 745 A 59 ILE H A 58 PRO HDx 1.0 . 3.78 968 745 A 59 ILE H A 58 PRO HDy 1.0 . 3.78 969 746 A 59 ILE H A 62 GLN HGx 1.0 . 5.25 970 746 A 59 ILE H A 62 GLN HGy 1.0 . 5.25 971 747 A 59 ILE H A 59 ILE HB 1.0 . 3.33 972 748 A 59 ILE H A 59 ILE HG1x 1.0 . 3.57 973 748 A 59 ILE H A 59 ILE HG1y 1.0 . 3.57 974 749 A 59 ILE H A 120 VAL HGx% 1.0 . 3.99 975 749 A 59 ILE H A 120 VAL HGy% 1.0 . 3.99 976 750 A 59 ILE HG2% A 59 ILE H 1.0 . 4.12 977 751 A 45 HIS H A 43 VAL H 1.0 . 4.42 978 752 A 43 VAL H A 42 VAL H 1.0 . 3.37 979 753 A 46 THR H A 43 VAL H 1.0 . 5.50 980 754 A 39 MET HA A 43 VAL H 1.0 . 4.73 981 755 A 41 ARG HA A 43 VAL H 1.0 . 4.72 982 756 A 44 GLN HA A 43 VAL H 1.0 . 5.46 983 757 A 40 LYS HA A 43 VAL H 1.0 . 3.86 984 758 A 42 VAL HB A 43 VAL H 1.0 . 3.48 985 759 A 43 VAL HB A 43 VAL H 1.0 . 3.13 986 760 A 43 VAL H A 42 VAL HGx% 1.0 . 3.97 987 761 A 43 VAL H A 42 VAL HGy% 1.0 . 3.97 988 762 A 47 LYS H A 46 THR H 1.0 . 3.46 989 763 A 45 HIS H A 47 LYS H 1.0 . 4.65 990 764 A 47 LYS H A 49 CYS H 1.0 . 4.05 991 765 A 46 THR HB A 47 LYS H 1.0 . 4.17 992 766 A 47 LYS H A 44 GLN HA 1.0 . 4.01 993 767 A 47 LYS H A 48 GLY HAx 1.0 . 5.50 994 768 A 43 VAL HA A 47 LYS H 1.0 . 5.47 995 769 A 47 LYS H A 47 LYS HEx 1.0 . 4.99 996 769 A 47 LYS H A 47 LYS HEy 1.0 . 4.99 997 770 A 47 LYS H A 47 LYS HBx 1.0 . 2.95 998 770 A 47 LYS HBy A 47 LYS H 1.0 . 2.95 999 771 A 43 VAL HGx% A 47 LYS H 1.0 . 5.15 1000 772 A 64 ILE H A 65 ALA H 1.0 . 3.69 1001 773 A 64 ILE H A 62 GLN HA 1.0 . 4.77 1002 774 A 64 ILE H A 61 LYS HA 1.0 . 4.29 1003 775 A 64 ILE H A 67 ALA HB% 1.0 . 4.77 1004 776 A 64 ILE H A 64 ILE HB 1.0 . 3.40 1005 777 A 64 ILE H A 63 LEU HDx% 1.0 . 4.25 1006 777 A 63 LEU HDy% A 64 ILE H 1.0 . 4.25 1007 778 A 64 ILE H A 64 ILE HG2% 1.0 . 3.87 1008 779 A 64 ILE H A 64 ILE HG1x 1.0 . 4.37 1009 780 A 122 PRO HA A 123 ILE H 1.0 . 2.90 1010 781 A 123 ILE H A 122 PRO HBx 1.0 . 4.63 1011 782 A 123 ILE H A 123 ILE HG1y 1.0 . 4.04 1012 783 A 123 ILE H A 123 ILE HG1x 1.0 . 4.04 1013 784 A 123 ILE HG2% A 123 ILE H 1.0 . 3.99 1014 785 A 123 ILE H A 123 ILE HB 1.0 . 3.76 1015 786 A 96 ARG H A 95 GLY HAx 1.0 . 3.33 1016 786 A 95 GLY HAy A 96 ARG H 1.0 . 3.33 1017 787 A 96 ARG H A 96 ARG HDx 1.0 . 5.01 1018 787 A 96 ARG HDy A 96 ARG H 1.0 . 5.01 1019 788 A 96 ARG H A 96 ARG HBy 1.0 . 3.71 1020 789 A 96 ARG H A 96 ARG HBx 1.0 . 3.71 1021 790 A 96 ARG H A 96 ARG HGx 1.0 . 4.04 1022 790 A 96 ARG HGy A 96 ARG H 1.0 . 4.04 1023 791 A 95 GLY H A 96 ARG H 1.0 . 3.63 1024 792 A 97 GLY H A 96 ARG H 1.0 . 3.67 1025 793 A 67 ALA H A 68 ALA H 1.0 . 3.53 1026 794 A 69 TYR H A 68 ALA H 1.0 . 3.68 1027 795 A 64 ILE HA A 68 ALA H 1.0 . 4.54 1028 796 A 83 PHE HBx A 68 ALA H 1.0 . 5.50 1029 797 A 67 ALA HB% A 68 ALA H 1.0 . 3.45 1030 798 A 68 ALA HB% A 68 ALA H 1.0 . 2.99 1031 799 A 88 LYS H A 87 ILE HG2% 1.0 . 3.98 1032 800 A 87 ILE HD1% A 68 ALA H 1.0 . 3.78 1033 801 A 100 PHE H A 101 LEU HA 1.0 . 4.83 1034 802 A 99 GLU HA A 100 PHE H 1.0 . 3.08 1035 803 A 100 PHE HBy A 100 PHE H 1.0 . 3.57 1036 804 A 100 PHE HBx A 100 PHE H 1.0 . 3.36 1037 805 A 65 ALA HB% A 100 PHE H 1.0 . 5.50 1038 806 A 100 PHE H A 101 LEU HG 1.0 . 5.50 1039 807 A 109 ILE H A 108 HIS H 1.0 . 3.78 1040 808 A 109 ILE H A 108 HIS HD2 1.0 . 4.88 1041 809 A 106 PHE HA A 109 ILE H 1.0 . 4.71 1042 810 A 109 ILE H A 108 HIS HBy 1.0 . 4.51 1043 811 A 109 ILE H A 108 HIS HBx 1.0 . 4.51 1044 812 A 109 ILE HB A 109 ILE H 1.0 . 3.57 1045 813 A 109 ILE HG2% A 109 ILE H 1.0 . 3.96 1046 814 A 64 ILE H A 63 LEU H 1.0 . 3.80 1047 815 A 63 LEU H A 62 GLN HGx 1.0 . 4.57 1048 815 A 63 LEU H A 62 GLN HGy 1.0 . 4.57 1049 816 A 63 LEU H A 63 LEU HBx 1.0 . 3.76 1050 817 A 63 LEU H A 63 LEU HBy 1.0 . 3.76 1051 818 A 63 LEU H A 63 LEU HDx% 1.0 . 4.12 1052 818 A 63 LEU HDy% A 63 LEU H 1.0 . 4.12 1053 819 A 9 ARG H A 10 ARG H 1.0 . 3.35 1054 820 A 10 ARG H A 7 ASP HA 1.0 . 4.56 1055 821 A 10 ARG H A 10 ARG HDx 1.0 . 4.60 1056 821 A 10 ARG HDy A 10 ARG H 1.0 . 4.60 1057 822 A 10 ARG H A 7 ASP HBx 1.0 . 5.09 1058 822 A 7 ASP HBy A 10 ARG H 1.0 . 5.09 1059 823 A 10 ARG H A 9 ARG HBx 1.0 . 3.10 1060 823 A 9 ARG HBy A 10 ARG H 1.0 . 3.10 1061 824 A 10 ARG H A 10 ARG HBx 1.0 . 3.22 1062 824 A 10 ARG HBy A 10 ARG H 1.0 . 3.22 1063 825 A 10 ARG H A 10 ARG HGy 1.0 . 4.19 1064 826 A 10 ARG H A 10 ARG HGx 1.0 . 4.19 1065 827 A 111 ASP H A 112 PHE H 1.0 . 3.60 1066 828 A 111 ASP H A 112 PHE HD% 1.0 . 4.81 1067 829 A 110 TRP HBy A 111 ASP H 1.0 . 4.36 1068 830 A 111 ASP H A 110 TRP HBx 1.0 . 4.39 1069 831 A 111 ASP H A 111 ASP HBy 1.0 . 3.95 1070 832 A 109 ILE HG2% A 111 ASP H 1.0 . 5.09 1071 833 A 3 GLN HA A 4 SER H 1.0 . 3.52 1072 834 A 44 GLN H A 42 VAL H 1.0 . 4.68 1073 835 A 41 ARG HA A 44 GLN H 1.0 . 4.09 1074 836 A 40 LYS HA A 44 GLN H 1.0 . 4.45 1075 837 A 44 GLN H A 44 GLN HGx 1.0 . 3.62 1076 837 A 44 GLN HGy A 44 GLN H 1.0 . 3.62 1077 838 A 43 VAL HB A 44 GLN H 1.0 . 2.99 1078 839 A 44 GLN H A 47 LYS HBx 1.0 . 5.06 1079 839 A 47 LYS HBy A 44 GLN H 1.0 . 5.06 1080 840 A 46 THR HG2% A 44 GLN H 1.0 . 4.88 1081 841 A 43 VAL HGx% A 44 GLN H 1.0 . 3.83 1082 842 A 111 ASP H A 110 TRP H 1.0 . 4.39 1083 843 A 110 TRP HBx A 110 TRP H 1.0 . 4.15 1084 844 A 107 GLN HA A 110 TRP H 1.0 . 5.14 1085 845 A 109 ILE HB A 110 TRP H 1.0 . 4.44 1086 846 A 109 ILE HG2% A 110 TRP H 1.0 . 4.48 1087 847 A 14 GLN H A 17 ILE H 1.0 . 4.98 1088 848 A 14 GLN H A 13 ILE HB 1.0 . 3.34 1089 849 A 14 GLN H A 13 ILE HG1x 1.0 . 4.66 1090 849 A 14 GLN H A 13 ILE HG1y 1.0 . 4.66 1091 850 A 17 ILE HD1% A 14 GLN H 1.0 . 4.88 1092 851 A 14 GLN H A 66 LEU HDx% 1.0 . 5.40 1093 851 A 66 LEU HDy% A 14 GLN H 1.0 . 5.40 1094 852 A 13 ILE HG2% A 14 GLN H 1.0 . 3.64 1095 853 A 45 HIS H A 44 GLN H 1.0 . 3.42 1096 854 A 45 HIS H A 45 HIS HBy 1.0 . 3.17 1097 855 A 45 HIS H A 42 VAL HA 1.0 . 3.65 1098 856 A 45 HIS H A 45 HIS HBx 1.0 . 3.17 1099 857 A 45 HIS H A 44 GLN HGx 1.0 . 4.54 1100 857 A 45 HIS H A 44 GLN HGy 1.0 . 4.54 1101 858 A 45 HIS H A 46 THR HG2% 1.0 . 4.26 1102 859 A 45 HIS H A 42 VAL HGy% 1.0 . 5.38 1103 860 A 45 HIS H A 42 VAL HGx% 1.0 . 5.38 1104 861 A 70 HIS H A 71 ALA H 1.0 . 3.95 1105 862 A 70 HIS H A 70 HIS HBx 1.0 . 3.53 1106 863 A 70 HIS H A 70 HIS HBy 1.0 . 3.48 1107 864 A 13 ILE HA A 15 ARG H 1.0 . 4.95 1108 865 A 15 ARG H A 15 ARG HDx 1.0 . 4.75 1109 865 A 15 ARG HDy A 15 ARG H 1.0 . 4.75 1110 866 A 15 ARG H A 14 GLN HBx 1.0 . 3.45 1111 866 A 14 GLN HBy A 15 ARG H 1.0 . 3.45 1112 867 A 15 ARG H A 15 ARG HGx 1.0 . 3.98 1113 867 A 15 ARG HGy A 15 ARG H 1.0 . 3.98 1114 868 A 16 ALA HB% A 15 ARG H 1.0 . 4.68 1115 869 A 18 GLN H A 17 ILE H 1.0 . 3.34 1116 870 A 18 GLN H A 18 GLN HGy 1.0 . 4.18 1117 871 A 18 GLN H A 18 GLN HGx 1.0 . 4.18 1118 872 A 16 ALA HB% A 18 GLN H 1.0 . 4.66 1119 873 A 18 GLN H A 17 ILE HG1x 1.0 . 4.92 1120 873 A 18 GLN H A 17 ILE HG1y 1.0 . 4.92 1121 874 A 17 ILE HG2% A 18 GLN H 1.0 . 3.89 1122 875 A 17 ILE HD1% A 18 GLN H 1.0 . 5.15 1123 876 A 18 GLN H A 21 VAL HGx% 1.0 . 5.46 1124 876 A 21 VAL HGy% A 18 GLN H 1.0 . 5.46 1125 877 A 117 ILE HA A 118 SER H 1.0 . 3.14 1126 878 A 117 ILE HB A 118 SER H 1.0 . 4.66 1127 879 A 117 ILE HG2% A 118 SER H 1.0 . 4.34 1128 880 A 112 PHE HD% A 113 LEU H 1.0 . 4.65 1129 881 A 114 GLU HA A 113 LEU H 1.0 . 5.50 1130 882 A 112 PHE H A 109 ILE HA 1.0 . 5.45 1131 883 A 109 ILE HA A 113 LEU H 1.0 . 5.50 1132 884 A 113 LEU H A 113 LEU HG 1.0 . 3.93 1133 885 A 113 LEU H A 113 LEU HDx% 1.0 . 3.94 1134 885 A 113 LEU HDy% A 113 LEU H 1.0 . 3.94 1135 886 A 52 LYS H A 53 THR H 1.0 . 4.29 1136 887 A 52 LYS H A 52 LYS HBy 1.0 . 3.94 1137 888 A 52 LYS H A 52 LYS HBx 1.0 . 3.94 1138 889 A 52 LYS H A 52 LYS HGx 1.0 . 4.17 1139 889 A 52 LYS H A 52 LYS HGy 1.0 . 4.17 1140 890 A 17 ILE HA A 21 VAL H 1.0 . 4.56 1141 891 A 21 VAL H A 21 VAL HB 1.0 . 2.95 1142 892 A 21 VAL H A 20 LEU HBx 1.0 . 3.84 1143 893 A 20 LEU HG A 21 VAL H 1.0 . 4.22 1144 894 A 21 VAL H A 21 VAL HGx% 1.0 . 2.94 1145 894 A 21 VAL HGy% A 21 VAL H 1.0 . 2.94 1146 895 A 21 VAL H A 81 VAL HGy% 1.0 . 4.59 1147 896 A 105 VAL H A 106 PHE H 1.0 . 3.29 1148 897 A 105 VAL H A 104 GLU H 1.0 . 3.45 1149 898 A 105 VAL H A 105 VAL HB 1.0 . 3.07 1150 899 A 105 VAL H A 105 VAL HGx% 1.0 . 3.88 1151 900 A 105 VAL H A 105 VAL HGy% 1.0 . 3.88 1152 901 A 112 PHE H A 112 PHE HBy 1.0 . 3.76 1153 902 A 112 PHE H A 112 PHE HBx 1.0 . 3.76 1154 903 A 112 PHE H A 111 ASP HBy 1.0 . 4.49 1155 904 A 112 PHE H A 113 LEU HG 1.0 . 5.50 1156 905 A 106 PHE H A 105 VAL HGx% 1.0 . 4.30 1157 906 A 106 PHE H A 105 VAL HGy% 1.0 . 4.30 1158 907 A 106 PHE H A 105 VAL HB 1.0 . 3.80 1159 908 A 106 PHE H A 106 PHE HD% 1.0 . 4.36 1160 909 A 98 ASN H A 98 ASN HBx 1.0 . 3.82 1161 909 A 98 ASN H A 98 ASN HBy 1.0 . 3.82 1162 910 A 69 TYR H A 70 HIS H 1.0 . 3.77 1163 911 A 69 TYR H A 67 ALA H 1.0 . 5.03 1164 912 A 70 HIS HA A 69 TYR H 1.0 . 5.34 1165 913 A 69 TYR H A 67 ALA HA 1.0 . 4.96 1166 914 A 69 TYR H A 70 HIS HBx 1.0 . 4.88 1167 915 A 69 TYR H A 69 TYR HBy 1.0 . 3.56 1168 916 A 69 TYR H A 69 TYR HBx 1.0 . 3.56 1169 917 A 67 ALA HB% A 69 TYR H 1.0 . 4.90 1170 918 A 68 ALA HB% A 69 TYR H 1.0 . 3.73 1171 919 A 87 ILE HD1% A 69 TYR H 1.0 . 5.50 1172 920 A 113 LEU HA A 114 GLU H 1.0 . 3.52 1173 921 A 87 ILE HA A 90 LYS H 1.0 . 4.52 1174 922 A 90 LYS H A 89 GLN HBx 1.0 . 3.82 1175 922 A 90 LYS H A 89 GLN HBy 1.0 . 3.82 1176 923 A 90 LYS H A 90 LYS HBx 1.0 . 3.04 1177 923 A 90 LYS HBy A 90 LYS H 1.0 . 3.04 1178 924 A 113 LEU HG A 114 GLU H 1.0 . 3.68 1179 925 A 92 THR HG2% A 90 LYS H 1.0 . 5.50 1180 926 A 114 GLU H A 113 LEU HDx% 1.0 . 4.23 1181 926 A 113 LEU HDy% A 114 GLU H 1.0 . 4.23 1182 927 A 14 GLN HA A 17 ILE H 1.0 . 4.07 1183 928 A 17 ILE HB A 17 ILE H 1.0 . 3.18 1184 929 A 16 ALA HB% A 17 ILE H 1.0 . 3.39 1185 930 A 17 ILE H A 17 ILE HG1x 1.0 . 3.68 1186 930 A 17 ILE HG1y A 17 ILE H 1.0 . 3.68 1187 931 A 17 ILE HG2% A 17 ILE H 1.0 . 3.90 1188 932 A 17 ILE HD1% A 17 ILE H 1.0 . 4.00 1189 933 A 17 ILE H A 66 LEU HDx% 1.0 . 4.24 1190 933 A 66 LEU HDy% A 17 ILE H 1.0 . 4.24 1191 934 A 13 ILE HG2% A 17 ILE H 1.0 . 4.50 1192 935 A 39 MET H A 40 LYS H 1.0 . 3.47 1193 936 A 39 MET H A 41 ARG H 1.0 . 4.47 1194 937 A 39 MET H A 35 SER HA 1.0 . 4.44 1195 938 A 39 MET H A 39 MET HGy 1.0 . 3.67 1196 939 A 39 MET H A 39 MET HGx 1.0 . 4.04 1197 940 A 39 MET H A 39 MET HBy 1.0 . 3.37 1198 941 A 39 MET H A 40 LYS HBy 1.0 . 4.60 1199 942 A 39 MET H A 39 MET HBx 1.0 . 3.75 1200 943 A 39 MET H A 38 LYS HGx 1.0 . 4.26 1201 943 A 39 MET H A 38 LYS HGy 1.0 . 4.26 1202 944 A 39 MET H A 38 LYS HDx 1.0 . 4.99 1203 944 A 39 MET H A 38 LYS HDy 1.0 . 4.99 1204 945 A 39 MET H A 113 LEU HDx% 1.0 . 5.04 1205 945 A 39 MET H A 113 LEU HDy% 1.0 . 5.04 1206 946 A 117 ILE HG2% A 119 SER H 1.0 . 5.50 1207 947 A 119 SER H A 120 VAL HGx% 1.0 . 5.50 1208 947 A 120 VAL HGy% A 119 SER H 1.0 . 5.50 1209 948 A 66 LEU H A 65 ALA H 1.0 . 3.87 1210 949 A 64 ILE H A 66 LEU H 1.0 . 4.91 1211 950 A 64 ILE HA A 66 LEU H 1.0 . 5.14 1212 951 A 66 LEU HBy A 66 LEU H 1.0 . 3.72 1213 952 A 66 LEU H A 66 LEU HDx% 1.0 . 4.11 1214 952 A 66 LEU HDy% A 66 LEU H 1.0 . 4.11 1215 953 A 17 ILE HD1% A 66 LEU H 1.0 . 5.25 1216 954 A 102 SER H A 101 LEU H 1.0 . 4.38 1217 955 A 102 SER H A 101 LEU HA 1.0 . 3.06 1218 956 A 102 SER H A 102 SER HBy 1.0 . 3.80 1219 957 A 102 SER H A 102 SER HBx 1.0 . 3.80 1220 958 A 41 ARG H A 43 VAL H 1.0 . 4.43 1221 959 A 41 ARG H A 40 LYS H 1.0 . 3.50 1222 960 A 41 ARG H A 39 MET HA 1.0 . 4.59 1223 961 A 41 ARG H A 38 LYS HA 1.0 . 3.99 1224 962 A 41 ARG H A 41 ARG HDx 1.0 . 4.80 1225 962 A 41 ARG H A 41 ARG HDy 1.0 . 4.80 1226 963 A 41 ARG H A 41 ARG HBy 1.0 . 3.18 1227 964 A 41 ARG H A 41 ARG HBx 1.0 . 3.18 1228 965 A 107 GLN H A 107 GLN HGx 1.0 . 3.90 1229 965 A 107 GLN HGy A 107 GLN H 1.0 . 3.90 1230 966 A 107 GLN H A 107 GLN HBx 1.0 . 3.53 1231 966 A 107 GLN H A 107 GLN HBy 1.0 . 3.53 1232 967 A 63 LEU H A 62 GLN H 1.0 . 3.45 1233 968 A 64 ILE H A 62 GLN H 1.0 . 4.76 1234 969 A 62 GLN H A 63 LEU HDx% 1.0 . 5.50 1235 969 A 63 LEU HDy% A 62 GLN H 1.0 . 5.50 1236 970 A 39 MET H A 38 LYS H 1.0 . 3.43 1237 971 A 39 MET HA A 38 LYS H 1.0 . 5.39 1238 972 A 38 LYS H A 38 LYS HEx 1.0 . 4.80 1239 972 A 38 LYS H A 38 LYS HEy 1.0 . 4.80 1240 973 A 39 MET HBy A 38 LYS H 1.0 . 4.80 1241 974 A 38 LYS H A 37 GLN HBy 1.0 . 4.19 1242 975 A 38 LYS H A 38 LYS HGx 1.0 . 3.43 1243 975 A 38 LYS HGy A 38 LYS H 1.0 . 3.43 1244 976 A 38 LYS H A 38 LYS HDx 1.0 . 4.03 1245 976 A 38 LYS HDy A 38 LYS H 1.0 . 4.03 1246 977 A 7 ASP H A 8 SER H 1.0 . 4.25 1247 978 A 8 SER H A 8 SER HBx 1.0 . 3.78 1248 978 A 8 SER HBy A 8 SER H 1.0 . 3.78 1249 979 A 8 SER H A 7 ASP HBx 1.0 . 4.16 1250 979 A 7 ASP HBy A 8 SER H 1.0 . 4.16 1251 980 A 59 ILE H A 61 LYS H 1.0 . 4.48 1252 981 A 62 GLN H A 61 LYS H 1.0 . 3.57 1253 982 A 58 PRO HA A 61 LYS H 1.0 . 4.10 1254 983 A 61 LYS H A 60 CYS HBy 1.0 . 4.08 1255 984 A 61 LYS H A 60 CYS HBx 1.0 . 4.08 1256 985 A 61 LYS H A 62 GLN HGx 1.0 . 4.75 1257 985 A 62 GLN HGy A 61 LYS H 1.0 . 4.75 1258 986 A 61 LYS H A 61 LYS HBy 1.0 . 3.61 1259 987 A 61 LYS H A 61 LYS HBx 1.0 . 3.61 1260 988 A 61 LYS H A 61 LYS HGx 1.0 . 4.27 1261 988 A 61 LYS HGy A 61 LYS H 1.0 . 4.27 1262 989 A 23 ALA H A 24 ALA H 1.0 . 3.32 1263 990 A 25 GLN H A 24 ALA H 1.0 . 3.28 1264 991 A 25 GLN HA A 24 ALA H 1.0 . 5.42 1265 992 A 81 VAL HA A 24 ALA H 1.0 . 5.50 1266 993 A 21 VAL HA A 24 ALA H 1.0 . 3.79 1267 994 A 25 GLN HGy A 24 ALA H 1.0 . 4.65 1268 995 A 26 CYS HBx A 24 ALA H 1.0 . 4.87 1269 996 A 23 ALA HB% A 24 ALA H 1.0 . 3.28 1270 997 A 24 ALA HB% A 24 ALA H 1.0 . 2.80 1271 998 A 24 ALA H A 21 VAL HGx% 1.0 . 4.37 1272 998 A 21 VAL HGy% A 24 ALA H 1.0 . 4.37 1273 999 A 81 VAL HGy% A 24 ALA H 1.0 . 5.09 1274 1000 A 90 LYS H A 89 GLN H 1.0 . 3.36 1275 1001 A 88 LYS H A 89 GLN H 1.0 . 3.57 1276 1002 A 86 ASN HA A 89 GLN H 1.0 . 4.16 1277 1003 A 90 LYS HA A 89 GLN H 1.0 . 5.50 1278 1004 A 87 ILE HA A 89 GLN H 1.0 . 4.85 1279 1005 A 89 GLN H A 89 GLN HGy 1.0 . 4.08 1280 1006 A 89 GLN H A 89 GLN HGx 1.0 . 4.08 1281 1007 A 89 GLN H A 89 GLN HBx 1.0 . 3.14 1282 1007 A 89 GLN HBy A 89 GLN H 1.0 . 3.14 1283 1008 A 11 LEU HA A 12 SER H 1.0 . 3.50 1284 1009 A 12 SER H A 12 SER HBy 1.0 . 3.62 1285 1010 A 12 SER H A 12 SER HBx 1.0 . 3.62 1286 1011 A 12 SER H A 9 ARG HBx 1.0 . 5.24 1287 1011 A 9 ARG HBy A 12 SER H 1.0 . 5.24 1288 1012 A 12 SER H A 10 ARG HBx 1.0 . 5.50 1289 1012 A 10 ARG HBy A 12 SER H 1.0 . 5.50 1290 1013 A 11 LEU HG A 12 SER H 1.0 . 3.70 1291 1014 A 19 SER H A 17 ILE H 1.0 . 4.73 1292 1015 A 21 VAL H A 19 SER H 1.0 . 5.02 1293 1016 A 17 ILE HA A 19 SER H 1.0 . 4.63 1294 1017 A 19 SER H A 18 GLN HGx 1.0 . 5.29 1295 1018 A 19 SER H A 18 GLN HGy 1.0 . 5.29 1296 1019 A 19 SER H A 18 GLN HBx 1.0 . 4.15 1297 1020 A 19 SER H A 20 LEU HBx 1.0 . 4.63 1298 1021 A 16 ALA HB% A 19 SER H 1.0 . 4.93 1299 1022 A 17 ILE HG2% A 19 SER H 1.0 . 4.84 1300 1023 A 19 SER H A 21 VAL HGx% 1.0 . 5.19 1301 1023 A 21 VAL HGy% A 19 SER H 1.0 . 5.19 1302 1024 A 37 GLN H A 38 LYS H 1.0 . 3.41 1303 1025 A 36 CYS H A 37 GLN H 1.0 . 3.31 1304 1026 A 37 GLN H A 40 LYS H 1.0 . 5.23 1305 1027 A 37 GLN H A 36 CYS HBx 1.0 . 3.28 1306 1028 A 37 GLN H A 36 CYS HBy 1.0 . 3.61 1307 1029 A 37 GLN H A 37 GLN HGy 1.0 . 3.68 1308 1030 A 37 GLN H A 37 GLN HBy 1.0 . 3.77 1309 1031 A 37 GLN H A 33 LEU HBx 1.0 . 4.85 1310 1032 A 37 GLN H A 33 LEU HBy 1.0 . 4.86 1311 1033 A 37 GLN H A 38 LYS HGx 1.0 . 5.19 1312 1033 A 37 GLN H A 38 LYS HGy 1.0 . 5.19 1313 1034 A 21 VAL H A 22 HIS H 1.0 . 3.32 1314 1035 A 24 ALA H A 22 HIS H 1.0 . 4.12 1315 1036 A 22 HIS HD2 A 22 HIS H 1.0 . 5.10 1316 1037 A 19 SER HA A 22 HIS H 1.0 . 4.09 1317 1038 A 18 GLN HA A 22 HIS H 1.0 . 4.75 1318 1039 A 22 HIS H A 22 HIS HBx 1.0 . 2.81 1319 1039 A 22 HIS HBy A 22 HIS H 1.0 . 2.81 1320 1040 A 21 VAL HB A 22 HIS H 1.0 . 3.27 1321 1041 A 23 ALA HB% A 22 HIS H 1.0 . 4.66 1322 1042 A 24 ALA HB% A 22 HIS H 1.0 . 5.13 1323 1043 A 22 HIS H A 21 VAL HGx% 1.0 . 3.43 1324 1043 A 21 VAL HGy% A 22 HIS H 1.0 . 3.43 1325 1044 A 85 LEU H A 86 ASN H 1.0 . 3.45 1326 1045 A 87 ILE H A 86 ASN H 1.0 . 3.44 1327 1046 A 88 LYS H A 86 ASN H 1.0 . 4.37 1328 1047 A 86 ASN H A 83 PHE HA 1.0 . 4.04 1329 1048 A 83 PHE HBx A 86 ASN H 1.0 . 5.50 1330 1049 A 84 CYS HBx A 86 ASN H 1.0 . 5.50 1331 1050 A 86 ASN H A 86 ASN HBx 1.0 . 3.10 1332 1050 A 86 ASN HBy A 86 ASN H 1.0 . 3.10 1333 1051 A 87 ILE HB A 86 ASN H 1.0 . 4.95 1334 1052 A 86 ASN H A 85 LEU HBx 1.0 . 3.50 1335 1052 A 85 LEU HBy A 86 ASN H 1.0 . 3.50 1336 1053 A 85 LEU HG A 86 ASN H 1.0 . 4.15 1337 1054 A 86 ASN H A 85 LEU HDx% 1.0 . 4.42 1338 1054 A 85 LEU HDy% A 86 ASN H 1.0 . 4.42 1339 1055 A 87 ILE HD1% A 86 ASN H 1.0 . 4.94 1340 1056 A 108 HIS H A 107 GLN HGx 1.0 . 5.15 1341 1056 A 107 GLN HGy A 108 HIS H 1.0 . 5.15 1342 1057 A 108 HIS H A 104 GLU HBx 1.0 . 5.02 1343 1057 A 104 GLU HBy A 108 HIS H 1.0 . 5.02 1344 1058 A 108 HIS H A 107 GLN HBx 1.0 . 4.97 1345 1058 A 108 HIS H A 107 GLN HBy 1.0 . 4.97 1346 1059 A 87 ILE H A 85 LEU H 1.0 . 4.54 1347 1060 A 88 LYS H A 85 LEU H 1.0 . 5.40 1348 1061 A 85 LEU H A 84 CYS H 1.0 . 3.65 1349 1062 A 85 LEU H A 83 PHE HA 1.0 . 5.27 1350 1063 A 84 CYS HBx A 85 LEU H 1.0 . 3.91 1351 1064 A 84 CYS HBy A 85 LEU H 1.0 . 4.37 1352 1065 A 85 LEU H A 85 LEU HBx 1.0 . 3.19 1353 1065 A 85 LEU HBy A 85 LEU H 1.0 . 3.19 1354 1066 A 85 LEU HG A 85 LEU H 1.0 . 4.65 1355 1067 A 81 VAL HB A 85 LEU H 1.0 . 5.11 1356 1068 A 85 LEU H A 85 LEU HDx% 1.0 . 4.12 1357 1068 A 85 LEU HDy% A 85 LEU H 1.0 . 4.12 1358 1069 A 29 ALA H A 30 ASN H 1.0 . 3.42 1359 1070 A 29 ALA HA A 30 ASN H 1.0 . 3.56 1360 1071 A 30 ASN H A 30 ASN HBy 1.0 . 3.71 1361 1072 A 30 ASN H A 30 ASN HBx 1.0 . 3.71 1362 1073 A 29 ALA HB% A 30 ASN H 1.0 . 3.33 1363 1074 A 70 HIS HA A 72 LYS H 1.0 . 4.89 1364 1075 A 69 TYR HA A 72 LYS H 1.0 . 4.64 1365 1076 A 71 ALA HB% A 72 LYS H 1.0 . 3.09 1366 1077 A 72 LYS H A 72 LYS HBx 1.0 . 3.55 1367 1077 A 72 LYS H A 72 LYS HBy 1.0 . 3.55 1368 1078 A 72 LYS H A 72 LYS HGy 1.0 . 4.38 1369 1079 A 87 ILE HG2% A 72 LYS H 1.0 . 5.26 1370 1080 A 71 ALA H A 72 LYS H 1.0 . 3.93 1371 1081 A 93 ILE H A 92 THR H 1.0 . 3.12 1372 1082 A 2 THR H A 3 GLN H 1.0 . 3.65 1373 1083 A 2 THR H A 1 ALA H1 1.0 . 4.62 1374 1084 A 2 THR HG2% A 2 THR H 1.0 . 4.96 1375 1085 A 53 THR H A 53 THR HB 1.0 . 4.02 1376 1086 A 53 THR H A 52 LYS HBy 1.0 . 4.41 1377 1087 A 53 THR H A 52 LYS HBx 1.0 . 4.41 1378 1088 A 53 THR H A 52 LYS HDy 1.0 . 5.50 1379 1089 A 53 THR H A 52 LYS HDx 1.0 . 5.50 1380 1090 A 53 THR H A 52 LYS HGx 1.0 . 4.63 1381 1090 A 53 THR H A 52 LYS HGy 1.0 . 4.63 1382 1091 A 53 THR HG2% A 53 THR H 1.0 . 4.09 1383 1092 A 70 HIS H A 73 HIS H 1.0 . 5.47 1384 1093 A 70 HIS HA A 73 HIS H 1.0 . 4.68 1385 1094 A 74 CYS HA A 73 HIS H 1.0 . 5.03 1386 1095 A 73 HIS HBy A 73 HIS H 1.0 . 3.97 1387 1096 A 73 HIS H A 73 HIS HBx 1.0 . 3.74 1388 1097 A 74 CYS HBy A 73 HIS H 1.0 . 4.39 1389 1098 A 71 ALA HB% A 73 HIS H 1.0 . 4.51 1390 1099 A 73 HIS H A 72 LYS HBx 1.0 . 3.95 1391 1099 A 73 HIS H A 72 LYS HBy 1.0 . 3.95 1392 1100 A 73 HIS H A 72 LYS HGy 1.0 . 5.02 1393 1101 A 23 ALA H A 25 GLN H 1.0 . 4.68 1394 1102 A 22 HIS HA A 25 GLN H 1.0 . 4.03 1395 1103 A 21 VAL HA A 25 GLN H 1.0 . 4.55 1396 1104 A 25 GLN HGy A 25 GLN H 1.0 . 3.41 1397 1105 A 25 GLN HGx A 25 GLN H 1.0 . 3.81 1398 1106 A 25 GLN H A 25 GLN HBy 1.0 . 4.17 1399 1107 A 23 ALA HB% A 25 GLN H 1.0 . 4.78 1400 1108 A 24 ALA HB% A 25 GLN H 1.0 . 3.45 1401 1109 A 25 GLN H A 21 VAL HGx% 1.0 . 4.49 1402 1109 A 21 VAL HGy% A 25 GLN H 1.0 . 4.49 1403 1110 A 35 SER H A 34 PRO HDx 1.0 . 5.24 1404 1110 A 34 PRO HDy A 35 SER H 1.0 . 5.24 1405 1111 A 67 ALA HB% A 83 PHE H 1.0 . 5.04 1406 1112 A 46 THR HB A 46 THR H 1.0 . 3.82 1407 1113 A 43 VAL HA A 46 THR H 1.0 . 4.55 1408 1114 A 46 THR H A 45 HIS HBx 1.0 . 4.70 1409 1115 A 46 THR HG2% A 46 THR H 1.0 . 3.40 1410 1116 A 94 GLU HA A 95 GLY H 1.0 . 3.00 1411 1117 A 96 ARG HA A 95 GLY H 1.0 . 5.26 1412 1118 A 95 GLY H A 94 GLU HGx 1.0 . 4.80 1413 1118 A 94 GLU HGy A 95 GLY H 1.0 . 4.80 1414 1119 A 95 GLY H A 94 GLU HBy 1.0 . 4.79 1415 1120 A 95 GLY H A 94 GLU HBx 1.0 . 4.79 1416 1121 A 97 GLY H A 96 ARG HBy 1.0 . 4.57 1417 1122 A 97 GLY H A 96 ARG HBx 1.0 . 4.57 1418 1123 A 97 GLY H A 96 ARG HGx 1.0 . 4.92 1419 1123 A 96 ARG HGy A 97 GLY H 1.0 . 4.92 1420 1124 A 7 ASP H A 6 GLY H 1.0 . 4.59 1421 1125 A 90 LYS H A 91 GLY H 1.0 . 3.32 1422 1126 A 87 ILE HA A 91 GLY H 1.0 . 4.92 1423 1127 A 91 GLY H A 90 LYS HBx 1.0 . 3.85 1424 1127 A 90 LYS HBy A 91 GLY H 1.0 . 3.85 1425 1128 A 92 THR HG2% A 91 GLY H 1.0 . 5.13 1426 1129 A 87 ILE HG2% A 91 GLY H 1.0 . 4.94 1427 1130 A 56 GLY H A 55 GLY H 1.0 . 3.60 1428 1131 A 55 GLY H A 54 ASN HBx 1.0 . 4.33 1429 1131 A 54 ASN HBy A 55 GLY H 1.0 . 4.33 1430 1132 A 56 GLY H A 52 LYS HA 1.0 . 4.49 1431 1133 A 51 ARG HA A 56 GLY H 1.0 . 4.94 1432 1134 A 56 GLY H A 55 GLY HAx 1.0 . 3.06 1433 1134 A 56 GLY H A 55 GLY HAy 1.0 . 3.06 1434 1135 A 56 GLY H A 54 ASN HBx 1.0 . 4.84 1435 1135 A 54 ASN HBy A 56 GLY H 1.0 . 4.84 1436 1136 A 56 GLY H A 51 ARG HBx 1.0 . 4.81 1437 1136 A 51 ARG HBy A 56 GLY H 1.0 . 4.81 1438 1137 A 47 LYS H A 48 GLY H 1.0 . 3.23 1439 1138 A 44 GLN HA A 48 GLY H 1.0 . 5.34 1440 1139 A 49 CYS HA A 48 GLY H 1.0 . 5.50 1441 1140 A 46 THR HA A 48 GLY H 1.0 . 4.34 1442 1141 A 48 GLY H A 47 LYS HBx 1.0 . 3.44 1443 1141 A 47 LYS HBy A 48 GLY H 1.0 . 3.44 1444 1142 A 46 THR HG2% A 48 GLY H 1.0 . 4.67 1445 1143 A 48 GLY H A 47 LYS HGx 1.0 . 4.73 1446 1143 A 47 LYS HGy A 48 GLY H 1.0 . 4.73 1447 1144 A 109 ILE H A 109 ILE HG1x 1.0 . 4.19 1448 1144 A 109 ILE HG1y A 109 ILE H 1.0 . 4.19 1449 1145 A 107 GLN HA A 110 TRP HD1 1.0 . 3.28 1450 1146 A 13 ILE HA A 106 PHE HZ 1.0 . 4.26 1451 1147 A 83 PHE HD% A 83 PHE HZ 1.0 . 3.89 1452 1148 A 13 ILE HG2% A 106 PHE HZ 1.0 . 3.96 1453 1149 A 106 PHE HZ A 107 GLN HGx 1.0 . 5.50 1454 1149 A 107 GLN HGy A 106 PHE HZ 1.0 . 5.50 1455 1150 A 109 ILE HB A 110 TRP HZ2 1.0 . 4.95 1456 1151 A 16 ALA HB% A 110 TRP HZ2 1.0 . 3.88 1457 1152 A 110 TRP HZ2 A 63 LEU HDx% 1.0 . 5.07 1458 1152 A 63 LEU HDy% A 110 TRP HZ2 1.0 . 5.07 1459 1153 A 110 TRP HZ2 A 66 LEU HDx% 1.0 . 3.94 1460 1153 A 66 LEU HDy% A 110 TRP HZ2 1.0 . 3.94 1461 1154 A 109 ILE HG2% A 110 TRP HZ2 1.0 . 4.71 1462 1155 A 111 ASP H A 110 TRP HE3 1.0 . 5.50 1463 1156 A 110 TRP HA A 110 TRP HE3 1.0 . 3.01 1464 1157 A 110 TRP HBx A 110 TRP HE3 1.0 . 3.39 1465 1158 A 16 ALA HB% A 110 TRP HE3 1.0 . 4.53 1466 1159 A 110 TRP HE3 A 42 VAL HGx% 1.0 . 4.95 1467 1160 A 110 TRP HE3 A 113 LEU HDx% 1.0 . 3.41 1468 1160 A 113 LEU HDy% A 110 TRP HE3 1.0 . 3.41 1469 1161 A 110 TRP HE3 A 42 VAL HGy% 1.0 . 4.95 1470 1162 A 109 ILE HG2% A 110 TRP HE3 1.0 . 3.74 1471 1163 A 110 TRP HA A 110 TRP HZ3 1.0 . 4.72 1472 1164 A 110 TRP HBx A 110 TRP HZ3 1.0 . 5.46 1473 1165 A 20 LEU HBy A 110 TRP HZ3 1.0 . 5.06 1474 1166 A 110 TRP HZ3 A 113 LEU HBy 1.0 . 5.50 1475 1167 A 109 ILE HB A 110 TRP HZ3 1.0 . 5.38 1476 1168 A 110 TRP HZ3 A 113 LEU HBx 1.0 . 5.50 1477 1169 A 16 ALA HB% A 110 TRP HZ3 1.0 . 4.41 1478 1170 A 110 TRP HZ3 A 42 VAL HGx% 1.0 . 4.27 1479 1171 A 110 TRP HZ3 A 42 VAL HGy% 1.0 . 4.27 1480 1172 A 110 TRP HZ3 A 113 LEU HDx% 1.0 . 4.01 1481 1172 A 113 LEU HDy% A 110 TRP HZ3 1.0 . 4.01 1482 1173 A 109 ILE HG2% A 110 TRP HZ3 1.0 . 4.08 1483 1174 A 110 TRP HZ3 A 66 LEU HDx% 1.0 . 4.91 1484 1174 A 66 LEU HDy% A 110 TRP HZ3 1.0 . 4.91 1485 1175 A 63 LEU HA A 110 TRP HH2 1.0 . 4.53 1486 1176 A 66 LEU HBy A 110 TRP HH2 1.0 . 5.50 1487 1177 A 109 ILE HB A 110 TRP HH2 1.0 . 5.50 1488 1178 A 16 ALA HB% A 110 TRP HH2 1.0 . 3.94 1489 1179 A 110 TRP HH2 A 63 LEU HDx% 1.0 . 4.08 1490 1179 A 63 LEU HDy% A 110 TRP HH2 1.0 . 4.08 1491 1180 A 110 TRP HH2 A 66 LEU HDx% 1.0 . 3.84 1492 1180 A 66 LEU HDy% A 110 TRP HH2 1.0 . 3.84 1493 1181 A 107 GLN H A 110 TRP HD1 1.0 . 5.26 1494 1182 A 110 TRP H A 110 TRP HD1 1.0 . 3.71 1495 1183 A 110 TRP HBy A 110 TRP HD1 1.0 . 3.17 1496 1184 A 110 TRP HBx A 110 TRP HD1 1.0 . 3.64 1497 1185 A 110 TRP HD1 A 107 GLN HGx 1.0 . 4.25 1498 1185 A 107 GLN HGy A 110 TRP HD1 1.0 . 4.25 1499 1186 A 110 TRP HD1 A 107 GLN HBx 1.0 . 4.19 1500 1186 A 107 GLN HBy A 110 TRP HD1 1.0 . 4.19 1501 1187 A 109 ILE HB A 110 TRP HD1 1.0 . 5.02 1502 1188 A 59 ILE HD1% A 45 HIS HE1 1.0 . 3.66 1503 1189 A 70 HIS HE1 A 81 VAL HGy% 1.0 . 3.06 1504 1190 A 70 HIS HE1 A 17 ILE HG2% 1.0 . 4.47 1505 1191 A 70 HIS HE1 A 21 VAL HGx% 1.0 . 2.95 1506 1191 A 21 VAL HGy% A 70 HIS HE1 1.0 . 2.95 1507 1192 A 59 ILE HB A 45 HIS HE1 1.0 . 4.22 1508 1193 A 45 HIS HE1 A 59 ILE HG1x 1.0 . 5.09 1509 1193 A 59 ILE HG1y A 45 HIS HE1 1.0 . 5.09 1510 1194 A 70 HIS HE1 A 74 CYS HBy 1.0 . 3.15 1511 1195 A 81 VAL HB A 70 HIS HE1 1.0 . 4.29 1512 1196 A 70 HIS HE1 A 74 CYS HBx 1.0 . 3.98 1513 1197 A 21 VAL HA A 70 HIS HE1 1.0 . 5.44 1514 1198 A 33 LEU H A 22 HIS HE1 1.0 . 5.32 1515 1199 A 31 CYS HA A 22 HIS HE1 1.0 . 4.51 1516 1200 A 22 HIS HE1 A 22 HIS HBx 1.0 . 4.55 1517 1200 A 22 HIS HBy A 22 HIS HE1 1.0 . 4.55 1518 1201 A 22 HIS HE1 A 31 CYS HBy 1.0 . 4.19 1519 1202 A 22 HIS HE1 A 26 CYS HBy 1.0 . 3.97 1520 1203 A 22 HIS HE1 A 25 GLN HGx 1.0 . 5.50 1521 1204 A 22 HIS HE1 A 33 LEU HBx 1.0 . 3.95 1522 1205 A 22 HIS HE1 A 33 LEU HBy 1.0 . 5.38 1523 1206 A 73 HIS HBy A 73 HIS HE1 1.0 . 4.84 1524 1207 A 73 HIS HE1 A 72 LYS HEx 1.0 . 4.71 1525 1207 A 72 LYS HEy A 73 HIS HE1 1.0 . 4.71 1526 1208 A 73 HIS HE1 A 72 LYS HDx 1.0 . 3.69 1527 1208 A 73 HIS HE1 A 72 LYS HDy 1.0 . 3.69 1528 1209 A 73 HIS HE1 A 72 LYS HGy 1.0 . 4.95 1529 1210 A 73 HIS HE1 A 72 LYS HGx 1.0 . 4.95 1530 1211 A 70 HIS H A 69 TYR HD% 1.0 . 3.62 1531 1212 A 69 TYR H A 69 TYR HD% 1.0 . 4.11 1532 1213 A 71 ALA H A 69 TYR HD% 1.0 . 5.15 1533 1214 A 70 HIS HA A 69 TYR HD% 1.0 . 3.63 1534 1215 A 69 TYR HA A 69 TYR HD% 1.0 . 3.29 1535 1216 A 66 LEU HA A 69 TYR HD% 1.0 . 3.78 1536 1217 A 70 HIS HBx A 69 TYR HD% 1.0 . 4.28 1537 1218 A 69 TYR HD% A 72 LYS HEx 1.0 . 4.29 1538 1218 A 72 LYS HEy A 69 TYR HD% 1.0 . 4.29 1539 1219 A 17 ILE HB A 69 TYR HD% 1.0 . 5.28 1540 1220 A 69 TYR HD% A 9 ARG HBx 1.0 . 4.71 1541 1220 A 69 TYR HD% A 9 ARG HBy 1.0 . 4.71 1542 1221 A 13 ILE HB A 69 TYR HD% 1.0 . 4.76 1543 1222 A 66 LEU HBx A 69 TYR HD% 1.0 . 5.08 1544 1223 A 69 TYR HD% A 17 ILE HG1x 1.0 . 4.01 1545 1223 A 17 ILE HG1y A 69 TYR HD% 1.0 . 4.01 1546 1224 A 17 ILE HG2% A 69 TYR HD% 1.0 . 4.58 1547 1225 A 17 ILE HD1% A 69 TYR HD% 1.0 . 2.95 1548 1226 A 69 TYR HD% A 66 LEU HDx% 1.0 . 4.13 1549 1226 A 66 LEU HDy% A 69 TYR HD% 1.0 . 4.13 1550 1227 A 13 ILE HG2% A 69 TYR HD% 1.0 . 3.13 1551 1228 A 83 PHE HD% A 83 PHE H 1.0 . 3.61 1552 1229 A 64 ILE H A 83 PHE HD% 1.0 . 4.14 1553 1230 A 83 PHE HD% A 67 ALA H 1.0 . 5.19 1554 1231 A 83 PHE HD% A 83 PHE HA 1.0 . 3.09 1555 1232 A 83 PHE HD% A 82 PRO HBx 1.0 . 3.38 1556 1232 A 83 PHE HD% A 82 PRO HBy 1.0 . 3.38 1557 1233 A 83 PHE HD% A 67 ALA HB% 1.0 . 3.06 1558 1234 A 83 PHE HD% A 63 LEU HDx% 1.0 . 3.48 1559 1234 A 63 LEU HDy% A 83 PHE HD% 1.0 . 3.48 1560 1235 A 102 SER H A 100 PHE HD% 1.0 . 3.77 1561 1236 A 101 LEU H A 100 PHE HD% 1.0 . 3.49 1562 1237 A 100 PHE HA A 100 PHE HD% 1.0 . 3.15 1563 1238 A 65 ALA HB% A 100 PHE HD% 1.0 . 3.27 1564 1239 A 64 ILE HG2% A 100 PHE HD% 1.0 . 3.73 1565 1240 A 64 ILE HD1% A 100 PHE HD% 1.0 . 5.50 1566 1241 A 112 PHE H A 112 PHE HD% 1.0 . 2.96 1567 1242 A 112 PHE HD% A 112 PHE HA 1.0 . 3.79 1568 1243 A 65 ALA HA A 100 PHE HD% 1.0 . 3.71 1569 1244 A 113 LEU HA A 112 PHE HD% 1.0 . 4.18 1570 1245 A 109 ILE HA A 112 PHE HD% 1.0 . 3.42 1571 1246 A 109 ILE HG2% A 112 PHE HD% 1.0 . 3.77 1572 1247 A 112 PHE HD% A 59 ILE HD1% 1.0 . 4.55 1573 1248 A 106 PHE HA A 106 PHE HD% 1.0 . 2.98 1574 1249 A 106 PHE HD% A 107 GLN HGx 1.0 . 3.74 1575 1249 A 107 GLN HGy A 106 PHE HD% 1.0 . 3.74 1576 1250 A 65 ALA HB% A 106 PHE HD% 1.0 . 4.40 1577 1251 A 106 PHE HD% A 66 LEU HDx% 1.0 . 3.62 1578 1251 A 66 LEU HDy% A 106 PHE HD% 1.0 . 3.62 1579 1252 A 109 ILE HD1% A 106 PHE HD% 1.0 . 4.07 1580 1253 A 102 SER H A 100 PHE HE% 1.0 . 5.23 1581 1254 A 101 LEU H A 100 PHE HE% 1.0 . 4.98 1582 1255 A 100 PHE HA A 100 PHE HE% 1.0 . 4.76 1583 1256 A 65 ALA HA A 100 PHE HE% 1.0 . 4.53 1584 1257 A 65 ALA HB% A 100 PHE HE% 1.0 . 3.67 1585 1258 A 64 ILE HG2% A 100 PHE HE% 1.0 . 3.63 1586 1259 A 64 ILE HD1% A 100 PHE HE% 1.0 . 4.65 1587 1260 A 13 ILE HA A 106 PHE HE% 1.0 . 4.44 1588 1261 A 106 PHE HE% A 107 GLN HGx 1.0 . 4.02 1589 1261 A 107 GLN HGy A 106 PHE HE% 1.0 . 4.02 1590 1262 A 66 LEU HBy A 106 PHE HE% 1.0 . 4.94 1591 1263 A 106 PHE HE% A 13 ILE HG1x 1.0 . 3.79 1592 1263 A 13 ILE HG1y A 106 PHE HE% 1.0 . 3.79 1593 1264 A 106 PHE HE% A 66 LEU HDx% 1.0 . 3.26 1594 1264 A 66 LEU HDy% A 106 PHE HE% 1.0 . 3.26 1595 1265 A 13 ILE HG2% A 106 PHE HE% 1.0 . 4.72 1596 1266 A 13 ILE HD1% A 106 PHE HE% 1.0 . 5.21 1597 1267 A 63 LEU H A 83 PHE HE% 1.0 . 5.44 1598 1268 A 83 PHE H A 83 PHE HE% 1.0 . 4.93 1599 1269 A 64 ILE H A 83 PHE HE% 1.0 . 4.29 1600 1270 A 46 THR HB A 83 PHE HE% 1.0 . 4.17 1601 1271 A 60 CYS HA A 83 PHE HE% 1.0 . 3.78 1602 1272 A 46 THR HA A 83 PHE HE% 1.0 . 5.47 1603 1273 A 61 LYS HA A 83 PHE HE% 1.0 . 5.50 1604 1274 A 64 ILE HA A 83 PHE HE% 1.0 . 3.93 1605 1275 A 83 PHE HE% A 52 LYS HEx 1.0 . 4.78 1606 1275 A 83 PHE HE% A 52 LYS HEy 1.0 . 4.78 1607 1276 A 46 THR HG2% A 83 PHE HE% 1.0 . 3.22 1608 1277 A 64 ILE HB A 83 PHE HE% 1.0 . 4.76 1609 1278 A 83 PHE HE% A 63 LEU HDx% 1.0 . 3.10 1610 1278 A 63 LEU HDy% A 83 PHE HE% 1.0 . 3.10 1611 1279 A 64 ILE HG2% A 83 PHE HE% 1.0 . 4.64 1612 1280 A 64 ILE HD1% A 83 PHE HE% 1.0 . 3.74 1613 1281 A 112 PHE HE% A 113 LEU H 1.0 . 4.38 1614 1282 A 113 LEU HA A 112 PHE HE% 1.0 . 3.85 1615 1283 A 109 ILE HA A 112 PHE HE% 1.0 . 3.79 1616 1284 A 109 ILE HB A 112 PHE HE% 1.0 . 4.42 1617 1285 A 109 ILE HG2% A 112 PHE HE% 1.0 . 4.03 1618 1286 A 112 PHE HE% A 59 ILE HD1% 1.0 . 4.09 1619 1287 A 13 ILE H A 106 PHE HZ 1.0 . 5.50 1620 1288 A 13 ILE HB A 106 PHE HZ 1.0 . 5.50 1621 1289 A 66 LEU HBx A 106 PHE HZ 1.0 . 5.50 1622 1290 A 106 PHE HZ A 13 ILE HG1x 1.0 . 3.56 1623 1290 A 13 ILE HG1y A 106 PHE HZ 1.0 . 3.56 1624 1291 A 106 PHE HZ A 66 LEU HDx% 1.0 . 3.43 1625 1291 A 66 LEU HDy% A 106 PHE HZ 1.0 . 3.43 1626 1292 A 46 THR HB A 83 PHE HZ 1.0 . 3.69 1627 1293 A 60 CYS HA A 83 PHE HZ 1.0 . 4.12 1628 1294 A 46 THR HA A 83 PHE HZ 1.0 . 4.72 1629 1295 A 83 PHE HZ A 52 LYS HEx 1.0 . 4.74 1630 1295 A 83 PHE HZ A 52 LYS HEy 1.0 . 4.74 1631 1296 A 46 THR HG2% A 83 PHE HZ 1.0 . 4.26 1632 1297 A 83 PHE HZ A 63 LEU HDx% 1.0 . 4.00 1633 1297 A 63 LEU HDy% A 83 PHE HZ 1.0 . 4.00 1634 1298 A 64 ILE HD1% A 83 PHE HZ 1.0 . 4.93 1635 1299 A 22 HIS HD2 A 23 ALA H 1.0 . 3.48 1636 1300 A 22 HIS HD2 A 19 SER HA 1.0 . 4.65 1637 1301 A 22 HIS HD2 A 23 ALA HA 1.0 . 3.46 1638 1302 A 22 HIS HD2 A 22 HIS HBx 1.0 . 2.93 1639 1302 A 22 HIS HD2 A 22 HIS HBy 1.0 . 2.93 1640 1303 A 22 HIS HD2 A 36 CYS HBx 1.0 . 3.71 1641 1304 A 22 HIS HD2 A 36 CYS HBy 1.0 . 2.85 1642 1305 A 22 HIS HD2 A 26 CYS HBy 1.0 . 3.91 1643 1306 A 22 HIS HD2 A 23 ALA HB% 1.0 . 3.61 1644 1307 A 22 HIS HD2 A 33 LEU HBy 1.0 . 4.02 1645 1308 A 22 HIS HD2 A 33 LEU HDy% 1.0 . 4.38 1646 1309 A 22 HIS HD2 A 33 LEU HDx% 1.0 . 4.38 1647 1310 A 46 THR H A 45 HIS HD2 1.0 . 3.45 1648 1311 A 45 HIS HD2 A 60 CYS H 1.0 . 4.30 1649 1312 A 45 HIS HA A 45 HIS HD2 1.0 . 4.63 1650 1313 A 46 THR HB A 45 HIS HD2 1.0 . 3.64 1651 1314 A 60 CYS HA A 45 HIS HD2 1.0 . 4.61 1652 1315 A 46 THR HA A 45 HIS HD2 1.0 . 3.15 1653 1316 A 45 HIS HD2 A 49 CYS HBy 1.0 . 4.63 1654 1317 A 45 HIS HD2 A 49 CYS HBx 1.0 . 4.63 1655 1318 A 59 ILE HB A 45 HIS HD2 1.0 . 3.78 1656 1319 A 45 HIS HD2 A 59 ILE HG1x 1.0 . 5.50 1657 1319 A 59 ILE HG1y A 45 HIS HD2 1.0 . 5.50 1658 1320 A 59 ILE HG2% A 45 HIS HD2 1.0 . 3.19 1659 1321 A 45 HIS HD2 A 59 ILE HD1% 1.0 . 4.51 1660 1322 A 73 HIS HBx A 73 HIS HD2 1.0 . 3.66 1661 1323 A 73 HIS HD2 A 72 LYS HDx 1.0 . 4.52 1662 1323 A 72 LYS HDy A 73 HIS HD2 1.0 . 4.52 1663 1324 A 73 HIS HD2 A 72 LYS HBx 1.0 . 4.63 1664 1324 A 72 LYS HBy A 73 HIS HD2 1.0 . 4.63 1665 1325 A 73 HIS HD2 A 72 LYS HGy 1.0 . 4.89 1666 1326 A 73 HIS HD2 A 72 LYS HGx 1.0 . 4.89 1667 1327 A 105 VAL H A 108 HIS HD2 1.0 . 5.45 1668 1328 A 108 HIS HD2 A 108 HIS H 1.0 . 3.54 1669 1329 A 108 HIS HD2 A 108 HIS HA 1.0 . 3.61 1670 1330 A 104 GLU HA A 108 HIS HD2 1.0 . 5.20 1671 1331 A 107 GLN HA A 108 HIS HD2 1.0 . 5.01 1672 1332 A 105 VAL HA A 108 HIS HD2 1.0 . 3.58 1673 1333 A 108 HIS HD2 A 107 GLN HBx 1.0 . 3.72 1674 1333 A 108 HIS HD2 A 107 GLN HBy 1.0 . 3.72 1675 1334 A 108 HIS HD2 A 104 GLU HBx 1.0 . 3.99 1676 1334 A 104 GLU HBy A 108 HIS HD2 1.0 . 3.99 1677 1335 A 108 HIS HD2 A 105 VAL HGx% 1.0 . 4.97 1678 1336 A 14 GLN H A 69 TYR HE% 1.0 . 4.16 1679 1337 A 69 TYR HE% A 73 HIS HE1 1.0 . 4.37 1680 1338 A 70 HIS HA A 69 TYR HE% 1.0 . 4.25 1681 1339 A 14 GLN HA A 69 TYR HE% 1.0 . 4.01 1682 1340 A 69 TYR HE% A 70 HIS HBy 1.0 . 4.09 1683 1341 A 69 TYR HE% A 72 LYS HEx 1.0 . 5.32 1684 1341 A 72 LYS HEy A 69 TYR HE% 1.0 . 5.32 1685 1342 A 69 TYR HE% A 14 GLN HGx 1.0 . 4.39 1686 1343 A 17 ILE HB A 69 TYR HE% 1.0 . 4.35 1687 1344 A 69 TYR HE% A 9 ARG HBx 1.0 . 4.17 1688 1344 A 69 TYR HE% A 9 ARG HBy 1.0 . 4.17 1689 1345 A 13 ILE HB A 69 TYR HE% 1.0 . 4.11 1690 1346 A 69 TYR HE% A 17 ILE HG1x 1.0 . 4.49 1691 1346 A 69 TYR HE% A 17 ILE HG1y 1.0 . 4.49 1692 1347 A 17 ILE HG2% A 69 TYR HE% 1.0 . 4.30 1693 1348 A 17 ILE HD1% A 69 TYR HE% 1.0 . 3.46 1694 1349 A 13 ILE HG2% A 69 TYR HE% 1.0 . 2.99 1695 1350 A 6 GLY H A 5 PRO HGy 1.0 . 4.71 1696 1350 A 6 GLY H A 5 PRO HGx 1.0 . 4.71 1697 1351 A 6 GLY H A 5 PRO HDy 1.0 . 4.83 1698 1351 A 6 GLY H A 5 PRO HDx 1.0 . 4.83 1699 1352 A 9 ARG H A 9 ARG HGx 1.0 . 4.16 1700 1352 A 9 ARG H A 9 ARG HGy 1.0 . 4.16 1701 1353 A 9 ARG HA A 9 ARG HDy 1.0 . 4.31 1702 1353 A 9 ARG HA A 9 ARG HDx 1.0 . 4.31 1703 1354 A 10 ARG H A 10 ARG HGx 1.0 . 3.46 1704 1354 A 10 ARG H A 10 ARG HGy 1.0 . 3.46 1705 1355 A 11 LEU H A 10 ARG HGx 1.0 . 3.12 1706 1355 A 11 LEU H A 10 ARG HGy 1.0 . 3.12 1707 1356 A 11 LEU HA A 10 ARG HGx 1.0 . 4.03 1708 1356 A 11 LEU HA A 10 ARG HGy 1.0 . 4.03 1709 1357 A 12 SER H A 10 ARG HGx 1.0 . 4.57 1710 1357 A 12 SER H A 10 ARG HGy 1.0 . 4.57 1711 1358 A 11 LEU H A 11 LEU HDy% 1.0 . 3.79 1712 1358 A 11 LEU H A 11 LEU HDx% 1.0 . 3.79 1713 1359 A 11 LEU HA A 11 LEU HDy% 1.0 . 4.23 1714 1359 A 11 LEU HA A 11 LEU HDx% 1.0 . 4.23 1715 1360 A 12 SER H A 11 LEU HDy% 1.0 . 4.29 1716 1360 A 12 SER H A 11 LEU HDx% 1.0 . 4.29 1717 1361 A 12 SER HA A 11 LEU HDy% 1.0 . 4.87 1718 1361 A 11 LEU HDx% A 12 SER HA 1.0 . 4.87 1719 1362 A 11 LEU HDx% A 12 SER HBx 1.0 . 4.64 1720 1362 A 11 LEU HDy% A 12 SER HBx 1.0 . 4.64 1721 1362 A 12 SER HBy A 11 LEU HDy% 1.0 . 4.64 1722 1362 A 11 LEU HDx% A 12 SER HBy 1.0 . 4.64 1723 1363 A 12 SER H A 12 SER HBx 1.0 . 3.06 1724 1363 A 12 SER H A 12 SER HBy 1.0 . 3.06 1725 1364 A 13 ILE H A 12 SER HBx 1.0 . 3.87 1726 1364 A 13 ILE H A 12 SER HBy 1.0 . 3.87 1727 1365 A 13 ILE HG2% A 14 GLN HGx 1.0 . 4.44 1728 1365 A 13 ILE HG2% A 14 GLN HGy 1.0 . 4.44 1729 1366 A 14 GLN H A 14 GLN HGx 1.0 . 3.60 1730 1366 A 14 GLN H A 14 GLN HGy 1.0 . 3.60 1731 1367 A 69 TYR HE% A 14 GLN HGx 1.0 . 3.85 1732 1367 A 69 TYR HE% A 14 GLN HGy 1.0 . 3.85 1733 1368 A 73 HIS HE1 A 14 GLN HGx 1.0 . 5.34 1734 1368 A 73 HIS HE1 A 14 GLN HGy 1.0 . 5.34 1735 1369 A 15 ARG H A 15 ARG HBy 1.0 . 2.90 1736 1369 A 15 ARG H A 15 ARG HBx 1.0 . 2.90 1737 1370 A 15 ARG HA A 18 GLN HBx 1.0 . 3.53 1738 1370 A 15 ARG HA A 18 GLN HBy 1.0 . 3.53 1739 1371 A 15 ARG HA A 18 GLN HGx 1.0 . 4.40 1740 1371 A 15 ARG HA A 18 GLN HGy 1.0 . 4.40 1741 1372 A 16 ALA H A 15 ARG HBy 1.0 . 3.20 1742 1372 A 16 ALA H A 15 ARG HBx 1.0 . 3.20 1743 1373 A 16 ALA HA A 15 ARG HBy 1.0 . 4.71 1744 1373 A 16 ALA HA A 15 ARG HBx 1.0 . 4.71 1745 1374 A 17 ILE HA A 20 LEU HDy% 1.0 . 4.97 1746 1374 A 17 ILE HA A 20 LEU HDx% 1.0 . 4.97 1747 1375 A 17 ILE HD1% A 69 TYR HBx 1.0 . 4.11 1748 1375 A 17 ILE HD1% A 69 TYR HBy 1.0 . 4.11 1749 1376 A 18 GLN H A 18 GLN HBx 1.0 . 3.09 1750 1376 A 18 GLN H A 18 GLN HBy 1.0 . 3.09 1751 1377 A 18 GLN H A 18 GLN HGx 1.0 . 3.42 1752 1377 A 18 GLN H A 18 GLN HGy 1.0 . 3.42 1753 1378 A 18 GLN HBx A 18 GLN HGx 1.0 . 2.37 1754 1378 A 18 GLN HBy A 18 GLN HGx 1.0 . 2.37 1755 1378 A 18 GLN HGy A 18 GLN HBx 1.0 . 2.37 1756 1378 A 18 GLN HBy A 18 GLN HGy 1.0 . 2.37 1757 1379 A 19 SER H A 18 GLN HBx 1.0 . 3.51 1758 1379 A 19 SER H A 18 GLN HBy 1.0 . 3.51 1759 1380 A 19 SER H A 18 GLN HGx 1.0 . 4.57 1760 1380 A 19 SER H A 18 GLN HGy 1.0 . 4.57 1761 1381 A 19 SER H A 19 SER HBy 1.0 . 2.93 1762 1381 A 19 SER H A 19 SER HBx 1.0 . 2.93 1763 1382 A 20 LEU H A 19 SER HBy 1.0 . 3.94 1764 1382 A 20 LEU H A 19 SER HBx 1.0 . 3.94 1765 1383 A 20 LEU HBy A 19 SER HBy 1.0 . 5.30 1766 1383 A 20 LEU HBy A 19 SER HBx 1.0 . 5.30 1767 1384 A 39 MET HBy A 19 SER HBy 1.0 . 5.15 1768 1384 A 39 MET HBy A 19 SER HBx 1.0 . 5.15 1769 1385 A 39 MET HGy A 19 SER HBy 1.0 . 4.93 1770 1385 A 39 MET HGy A 19 SER HBx 1.0 . 4.93 1771 1386 A 39 MET HGx A 19 SER HBy 1.0 . 4.68 1772 1386 A 39 MET HGx A 19 SER HBx 1.0 . 4.68 1773 1387 A 20 LEU H A 20 LEU HDy% 1.0 . 3.96 1774 1387 A 20 LEU H A 20 LEU HDx% 1.0 . 3.96 1775 1388 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.11 1776 1388 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.11 1777 1389 A 21 VAL H A 20 LEU HDy% 1.0 . 4.53 1778 1389 A 21 VAL H A 20 LEU HDx% 1.0 . 4.53 1779 1390 A 67 ALA H A 20 LEU HDy% 1.0 . 4.85 1780 1390 A 67 ALA H A 20 LEU HDx% 1.0 . 4.85 1781 1391 A 67 ALA HA A 20 LEU HDy% 1.0 . 4.29 1782 1391 A 67 ALA HA A 20 LEU HDx% 1.0 . 4.29 1783 1392 A 81 VAL HA A 20 LEU HDy% 1.0 . 4.55 1784 1392 A 81 VAL HA A 20 LEU HDx% 1.0 . 4.55 1785 1393 A 81 VAL HGx% A 20 LEU HDy% 1.0 . 3.03 1786 1393 A 81 VAL HGx% A 20 LEU HDx% 1.0 . 3.03 1787 1394 A 110 TRP HH2 A 20 LEU HDy% 1.0 . 4.08 1788 1394 A 110 TRP HH2 A 20 LEU HDx% 1.0 . 4.08 1789 1395 A 22 HIS HA A 25 GLN HBx 1.0 . 4.57 1790 1395 A 22 HIS HA A 25 GLN HBy 1.0 . 4.57 1791 1396 A 22 HIS HD2 A 33 LEU HDy% 1.0 . 3.62 1792 1396 A 22 HIS HD2 A 33 LEU HDx% 1.0 . 3.62 1793 1397 A 22 HIS HE1 A 33 LEU HDy% 1.0 . 2.79 1794 1397 A 22 HIS HE1 A 33 LEU HDx% 1.0 . 2.79 1795 1398 A 23 ALA HA A 40 LYS HEx 1.0 . 4.14 1796 1398 A 23 ALA HA A 40 LYS HEy 1.0 . 4.14 1797 1399 A 23 ALA HB% A 40 LYS HEx 1.0 . 4.51 1798 1399 A 23 ALA HB% A 40 LYS HEy 1.0 . 4.51 1799 1400 A 25 GLN H A 25 GLN HBx 1.0 . 3.31 1800 1400 A 25 GLN H A 25 GLN HBy 1.0 . 3.31 1801 1401 A 26 CYS H A 40 LYS HEx 1.0 . 4.15 1802 1401 A 26 CYS H A 40 LYS HEy 1.0 . 4.15 1803 1402 A 26 CYS HA A 27 ARG HGy 1.0 . 4.92 1804 1402 A 26 CYS HA A 27 ARG HGx 1.0 . 4.92 1805 1403 A 26 CYS HBy A 40 LYS HEx 1.0 . 4.06 1806 1403 A 26 CYS HBy A 40 LYS HEy 1.0 . 4.06 1807 1404 A 27 ARG H A 27 ARG HGy 1.0 . 3.62 1808 1404 A 27 ARG H A 27 ARG HGx 1.0 . 3.62 1809 1405 A 27 ARG HA A 27 ARG HGy 1.0 . 3.65 1810 1405 A 27 ARG HA A 27 ARG HGx 1.0 . 3.65 1811 1406 A 28 ASN H A 27 ARG HGy 1.0 . 4.89 1812 1406 A 28 ASN H A 27 ARG HGx 1.0 . 4.89 1813 1407 A 29 ALA H A 28 ASN HBx 1.0 . 4.27 1814 1407 A 29 ALA H A 28 ASN HBy 1.0 . 4.27 1815 1408 A 29 ALA HB% A 30 ASN HBx 1.0 . 4.86 1816 1408 A 29 ALA HB% A 30 ASN HBy 1.0 . 4.86 1817 1409 A 30 ASN H A 30 ASN HBx 1.0 . 2.97 1818 1409 A 30 ASN H A 30 ASN HBy 1.0 . 2.97 1819 1410 A 31 CYS H A 30 ASN HBx 1.0 . 4.11 1820 1410 A 31 CYS H A 30 ASN HBy 1.0 . 4.11 1821 1411 A 32 SER H A 32 SER HBy 1.0 . 3.66 1822 1411 A 32 SER H A 32 SER HBx 1.0 . 3.66 1823 1412 A 33 LEU H A 33 LEU HDy% 1.0 . 3.79 1824 1412 A 33 LEU H A 33 LEU HDx% 1.0 . 3.79 1825 1413 A 33 LEU HDx% A 34 PRO HDx 1.0 . 4.15 1826 1413 A 33 LEU HDy% A 34 PRO HDx 1.0 . 4.15 1827 1413 A 34 PRO HDy A 33 LEU HDy% 1.0 . 4.15 1828 1413 A 34 PRO HDy A 33 LEU HDx% 1.0 . 4.15 1829 1414 A 36 CYS H A 33 LEU HDy% 1.0 . 4.69 1830 1414 A 36 CYS H A 33 LEU HDx% 1.0 . 4.69 1831 1415 A 36 CYS H A 35 SER HBx 1.0 . 4.16 1832 1415 A 36 CYS H A 35 SER HBy 1.0 . 4.16 1833 1416 A 39 MET HGy A 35 SER HBx 1.0 . 4.26 1834 1416 A 39 MET HGy A 35 SER HBy 1.0 . 4.26 1835 1417 A 39 MET HGx A 35 SER HBx 1.0 . 4.29 1836 1417 A 39 MET HGx A 35 SER HBy 1.0 . 4.29 1837 1418 A 36 CYS H A 37 GLN HGx 1.0 . 4.80 1838 1418 A 36 CYS H A 37 GLN HGy 1.0 . 4.80 1839 1419 A 37 GLN H A 37 GLN HBx 1.0 . 2.92 1840 1419 A 37 GLN H A 37 GLN HBy 1.0 . 2.92 1841 1420 A 37 GLN H A 37 GLN HGx 1.0 . 3.21 1842 1420 A 37 GLN H A 37 GLN HGy 1.0 . 3.21 1843 1421 A 37 GLN HA A 37 GLN HGx 1.0 . 3.53 1844 1421 A 37 GLN HA A 37 GLN HGy 1.0 . 3.53 1845 1422 A 38 LYS H A 37 GLN HBx 1.0 . 3.65 1846 1422 A 38 LYS H A 37 GLN HBy 1.0 . 3.65 1847 1423 A 38 LYS H A 37 GLN HGx 1.0 . 4.51 1848 1423 A 38 LYS H A 37 GLN HGy 1.0 . 4.51 1849 1424 A 38 LYS HA A 41 ARG HBx 1.0 . 3.99 1850 1424 A 38 LYS HA A 41 ARG HBy 1.0 . 3.99 1851 1425 A 39 MET H A 42 VAL HGy% 1.0 . 5.17 1852 1425 A 39 MET H A 42 VAL HGx% 1.0 . 5.17 1853 1426 A 39 MET HA A 42 VAL HGy% 1.0 . 3.48 1854 1426 A 39 MET HA A 42 VAL HGx% 1.0 . 3.48 1855 1427 A 40 LYS H A 40 LYS HDx 1.0 . 3.41 1856 1427 A 40 LYS H A 40 LYS HDy 1.0 . 3.41 1857 1428 A 40 LYS H A 40 LYS HEx 1.0 . 5.23 1858 1428 A 40 LYS H A 40 LYS HEy 1.0 . 5.23 1859 1429 A 40 LYS HA A 40 LYS HDx 1.0 . 3.48 1860 1429 A 40 LYS HA A 40 LYS HDy 1.0 . 3.48 1861 1430 A 41 ARG H A 41 ARG HBx 1.0 . 2.77 1862 1430 A 41 ARG H A 41 ARG HBy 1.0 . 2.77 1863 1431 A 41 ARG H A 42 VAL HGy% 1.0 . 4.47 1864 1431 A 41 ARG H A 42 VAL HGx% 1.0 . 4.47 1865 1432 A 42 VAL H A 41 ARG HBx 1.0 . 3.47 1866 1432 A 42 VAL H A 41 ARG HBy 1.0 . 3.47 1867 1433 A 42 VAL H A 42 VAL HGy% 1.0 . 3.06 1868 1433 A 42 VAL H A 42 VAL HGx% 1.0 . 3.06 1869 1434 A 42 VAL HA A 42 VAL HGy% 1.0 . 3.08 1870 1434 A 42 VAL HA A 42 VAL HGx% 1.0 . 3.08 1871 1435 A 42 VAL HA A 45 HIS HBy 1.0 . 3.79 1872 1435 A 42 VAL HA A 45 HIS HBx 1.0 . 3.79 1873 1436 A 43 VAL H A 42 VAL HGy% 1.0 . 3.37 1874 1436 A 43 VAL H A 42 VAL HGx% 1.0 . 3.37 1875 1437 A 45 HIS H A 42 VAL HGy% 1.0 . 4.34 1876 1437 A 45 HIS H A 42 VAL HGx% 1.0 . 4.34 1877 1438 A 45 HIS HD2 A 42 VAL HGy% 1.0 . 4.64 1878 1438 A 45 HIS HD2 A 42 VAL HGx% 1.0 . 4.64 1879 1439 A 46 THR H A 42 VAL HGy% 1.0 . 4.56 1880 1439 A 46 THR H A 42 VAL HGx% 1.0 . 4.56 1881 1440 A 59 ILE HG2% A 42 VAL HGy% 1.0 . 4.05 1882 1440 A 59 ILE HG2% A 42 VAL HGx% 1.0 . 4.05 1883 1441 A 110 TRP HE3 A 42 VAL HGy% 1.0 . 4.01 1884 1441 A 110 TRP HE3 A 42 VAL HGx% 1.0 . 4.01 1885 1442 A 112 PHE HE% A 42 VAL HGy% 1.0 . 3.63 1886 1442 A 112 PHE HE% A 42 VAL HGx% 1.0 . 3.63 1887 1443 A 42 VAL HGx% A 113 LEU HDx% 1.0 . 3.40 1888 1443 A 42 VAL HGy% A 113 LEU HDx% 1.0 . 3.40 1889 1443 A 113 LEU HDy% A 42 VAL HGy% 1.0 . 3.40 1890 1443 A 113 LEU HDy% A 42 VAL HGx% 1.0 . 3.40 1891 1444 A 114 GLU H A 42 VAL HGy% 1.0 . 5.44 1892 1444 A 114 GLU H A 42 VAL HGx% 1.0 . 5.44 1893 1445 A 44 GLN HA A 47 LYS HDy 1.0 . 4.08 1894 1445 A 44 GLN HA A 47 LYS HDx 1.0 . 4.08 1895 1446 A 44 GLN HGy A 47 LYS HDy 1.0 . 4.38 1896 1446 A 44 GLN HGx A 47 LYS HDy 1.0 . 4.38 1897 1446 A 47 LYS HDx A 44 GLN HGx 1.0 . 4.38 1898 1446 A 44 GLN HGy A 47 LYS HDx 1.0 . 4.38 1899 1447 A 45 HIS HE1 A 45 HIS HBy 1.0 . 4.52 1900 1447 A 45 HIS HE1 A 45 HIS HBx 1.0 . 4.52 1901 1448 A 46 THR H A 45 HIS HBy 1.0 . 3.96 1902 1448 A 46 THR H A 45 HIS HBx 1.0 . 3.96 1903 1449 A 59 ILE HG2% A 45 HIS HBy 1.0 . 4.23 1904 1449 A 59 ILE HG2% A 45 HIS HBx 1.0 . 4.23 1905 1450 A 112 PHE HE% A 45 HIS HBy 1.0 . 5.34 1906 1450 A 112 PHE HE% A 45 HIS HBx 1.0 . 5.34 1907 1451 A 45 HIS HD2 A 49 CYS HBx 1.0 . 3.94 1908 1451 A 45 HIS HD2 A 49 CYS HBy 1.0 . 3.94 1909 1452 A 45 HIS HD2 A 60 CYS HBx 1.0 . 4.79 1910 1452 A 45 HIS HD2 A 60 CYS HBy 1.0 . 4.79 1911 1453 A 45 HIS HE1 A 49 CYS HBx 1.0 . 4.62 1912 1453 A 45 HIS HE1 A 49 CYS HBy 1.0 . 4.62 1913 1454 A 46 THR HA A 49 CYS HBx 1.0 . 3.69 1914 1454 A 46 THR HA A 49 CYS HBy 1.0 . 3.69 1915 1455 A 47 LYS H A 48 GLY HAx 1.0 . 4.84 1916 1455 A 47 LYS H A 48 GLY HAy 1.0 . 4.84 1917 1456 A 47 LYS HBy A 47 LYS HDy 1.0 . 3.22 1918 1456 A 47 LYS HBx A 47 LYS HDy 1.0 . 3.22 1919 1456 A 47 LYS HDx A 47 LYS HBx 1.0 . 3.22 1920 1456 A 47 LYS HBy A 47 LYS HDx 1.0 . 3.22 1921 1457 A 47 LYS HBx A 48 GLY HAx 1.0 . 4.37 1922 1457 A 47 LYS HBy A 48 GLY HAx 1.0 . 4.37 1923 1457 A 48 GLY HAy A 47 LYS HBx 1.0 . 4.37 1924 1457 A 47 LYS HBy A 48 GLY HAy 1.0 . 4.37 1925 1458 A 48 GLY H A 49 CYS HBx 1.0 . 4.86 1926 1458 A 48 GLY H A 49 CYS HBy 1.0 . 4.86 1927 1459 A 50 LYS H A 50 LYS HGy 1.0 . 4.57 1928 1459 A 50 LYS H A 50 LYS HGx 1.0 . 4.57 1929 1460 A 50 LYS H A 50 LYS HDx 1.0 . 4.47 1930 1460 A 50 LYS H A 50 LYS HDy 1.0 . 4.47 1931 1461 A 50 LYS HA A 50 LYS HGy 1.0 . 3.42 1932 1461 A 50 LYS HA A 50 LYS HGx 1.0 . 3.42 1933 1462 A 50 LYS HA A 50 LYS HDx 1.0 . 3.38 1934 1462 A 50 LYS HA A 50 LYS HDy 1.0 . 3.38 1935 1463 A 51 ARG H A 50 LYS HBy 1.0 . 4.24 1936 1463 A 51 ARG H A 50 LYS HBx 1.0 . 4.24 1937 1464 A 52 LYS H A 52 LYS HDx 1.0 . 4.18 1938 1464 A 52 LYS H A 52 LYS HDy 1.0 . 4.18 1939 1465 A 53 THR H A 52 LYS HBx 1.0 . 3.82 1940 1465 A 53 THR H A 52 LYS HBy 1.0 . 3.82 1941 1466 A 53 THR H A 52 LYS HDx 1.0 . 4.82 1942 1466 A 53 THR H A 52 LYS HDy 1.0 . 4.82 1943 1467 A 83 PHE HE% A 52 LYS HDx 1.0 . 4.49 1944 1467 A 83 PHE HE% A 52 LYS HDy 1.0 . 4.49 1945 1468 A 83 PHE HZ A 52 LYS HDx 1.0 . 4.17 1946 1468 A 83 PHE HZ A 52 LYS HDy 1.0 . 4.17 1947 1469 A 56 GLY H A 61 LYS HDx 1.0 . 5.33 1948 1469 A 56 GLY H A 61 LYS HDy 1.0 . 5.33 1949 1470 A 57 CYS H A 57 CYS HBx 1.0 . 3.11 1950 1470 A 57 CYS H A 57 CYS HBy 1.0 . 3.11 1951 1471 A 57 CYS H A 61 LYS HDx 1.0 . 4.94 1952 1471 A 57 CYS H A 61 LYS HDy 1.0 . 4.94 1953 1472 A 57 CYS HBy A 58 PRO HDx 1.0 . 4.75 1954 1472 A 58 PRO HDy A 57 CYS HBx 1.0 . 4.75 1955 1472 A 58 PRO HDy A 57 CYS HBy 1.0 . 4.75 1956 1472 A 57 CYS HBx A 58 PRO HDx 1.0 . 4.75 1957 1473 A 59 ILE H A 57 CYS HBx 1.0 . 4.41 1958 1473 A 59 ILE H A 57 CYS HBy 1.0 . 4.41 1959 1474 A 58 PRO HA A 61 LYS HBx 1.0 . 3.83 1960 1474 A 58 PRO HA A 61 LYS HBy 1.0 . 3.83 1961 1475 A 59 ILE H A 58 PRO HBy 1.0 . 3.94 1962 1475 A 59 ILE H A 58 PRO HBx 1.0 . 3.94 1963 1476 A 58 PRO HDx A 122 PRO HBx 1.0 . 4.15 1964 1476 A 58 PRO HDy A 122 PRO HBx 1.0 . 4.15 1965 1476 A 122 PRO HBy A 58 PRO HDx 1.0 . 4.15 1966 1476 A 58 PRO HDy A 122 PRO HBy 1.0 . 4.15 1967 1477 A 59 ILE HG2% A 63 LEU HBy 1.0 . 4.08 1968 1477 A 59 ILE HG2% A 63 LEU HBx 1.0 . 4.08 1969 1478 A 60 CYS H A 61 LYS HBx 1.0 . 4.89 1970 1478 A 60 CYS H A 61 LYS HBy 1.0 . 4.89 1971 1479 A 60 CYS HA A 63 LEU HBy 1.0 . 3.83 1972 1479 A 60 CYS HA A 63 LEU HBx 1.0 . 3.83 1973 1480 A 61 LYS H A 60 CYS HBx 1.0 . 3.51 1974 1480 A 61 LYS H A 60 CYS HBy 1.0 . 3.51 1975 1481 A 64 ILE HD1% A 60 CYS HBx 1.0 . 5.08 1976 1481 A 64 ILE HD1% A 60 CYS HBy 1.0 . 5.08 1977 1482 A 83 PHE HE% A 60 CYS HBx 1.0 . 4.11 1978 1482 A 83 PHE HE% A 60 CYS HBy 1.0 . 4.11 1979 1483 A 83 PHE HZ A 60 CYS HBx 1.0 . 3.47 1980 1483 A 83 PHE HZ A 60 CYS HBy 1.0 . 3.47 1981 1484 A 61 LYS H A 61 LYS HBx 1.0 . 3.00 1982 1484 A 61 LYS H A 61 LYS HBy 1.0 . 3.00 1983 1485 A 61 LYS H A 61 LYS HDx 1.0 . 4.56 1984 1485 A 61 LYS H A 61 LYS HDy 1.0 . 4.56 1985 1486 A 61 LYS HA A 61 LYS HDx 1.0 . 4.44 1986 1486 A 61 LYS HA A 61 LYS HDy 1.0 . 4.44 1987 1487 A 63 LEU H A 61 LYS HBx 1.0 . 5.31 1988 1487 A 63 LEU H A 61 LYS HBy 1.0 . 5.31 1989 1488 A 62 GLN H A 61 LYS HDx 1.0 . 4.83 1990 1488 A 62 GLN H A 61 LYS HDy 1.0 . 4.83 1991 1489 A 63 LEU H A 63 LEU HBy 1.0 . 3.18 1992 1489 A 63 LEU H A 63 LEU HBx 1.0 . 3.18 1993 1490 A 64 ILE H A 63 LEU HBy 1.0 . 3.81 1994 1490 A 64 ILE H A 63 LEU HBx 1.0 . 3.81 1995 1491 A 83 PHE HE% A 63 LEU HBy 1.0 . 3.61 1996 1491 A 83 PHE HE% A 63 LEU HBx 1.0 . 3.61 1997 1492 A 83 PHE HZ A 63 LEU HBy 1.0 . 4.65 1998 1492 A 83 PHE HZ A 63 LEU HBx 1.0 . 4.65 1999 1493 A 83 PHE HD% A 64 ILE HG1y 1.0 . 3.91 2000 1493 A 83 PHE HD% A 64 ILE HG1x 1.0 . 3.91 2001 1494 A 83 PHE HE% A 64 ILE HG1y 1.0 . 4.25 2002 1494 A 83 PHE HE% A 64 ILE HG1x 1.0 . 4.25 2003 1495 A 66 LEU HDx% A 69 TYR HBx 1.0 . 4.66 2004 1495 A 66 LEU HDy% A 69 TYR HBx 1.0 . 4.66 2005 1495 A 69 TYR HBy A 66 LEU HDx% 1.0 . 4.66 2006 1495 A 66 LEU HDy% A 69 TYR HBy 1.0 . 4.66 2007 1496 A 68 ALA H A 69 TYR HBx 1.0 . 4.77 2008 1496 A 68 ALA H A 69 TYR HBy 1.0 . 4.77 2009 1497 A 69 TYR HA A 72 LYS HGx 1.0 . 4.79 2010 1497 A 69 TYR HA A 72 LYS HGy 1.0 . 4.79 2011 1498 A 72 LYS H A 72 LYS HGx 1.0 . 3.76 2012 1498 A 72 LYS H A 72 LYS HGy 1.0 . 3.76 2013 1499 A 73 HIS HD2 A 72 LYS HGx 1.0 . 4.05 2014 1499 A 73 HIS HD2 A 72 LYS HGy 1.0 . 4.05 2015 1500 A 73 HIS HE1 A 72 LYS HGx 1.0 . 4.20 2016 1500 A 73 HIS HE1 A 72 LYS HGy 1.0 . 4.20 2017 1501 A 79 CYS HA A 80 PRO HBy 1.0 . 5.23 2018 1501 A 79 CYS HA A 80 PRO HBx 1.0 . 5.23 2019 1502 A 79 CYS HA A 80 PRO HDy 1.0 . 3.20 2020 1502 A 79 CYS HA A 80 PRO HDx 1.0 . 3.20 2021 1503 A 81 VAL H A 80 PRO HBy 1.0 . 4.00 2022 1503 A 81 VAL H A 80 PRO HBx 1.0 . 4.00 2023 1504 A 81 VAL H A 80 PRO HDy 1.0 . 3.79 2024 1504 A 81 VAL H A 80 PRO HDx 1.0 . 3.79 2025 1505 A 85 LEU HDx% A 89 GLN HGx 1.0 . 4.16 2026 1505 A 85 LEU HDy% A 89 GLN HGx 1.0 . 4.16 2027 1505 A 89 GLN HGy A 85 LEU HDx% 1.0 . 4.16 2028 1505 A 85 LEU HDy% A 89 GLN HGy 1.0 . 4.16 2029 1506 A 86 ASN HA A 89 GLN HGx 1.0 . 4.40 2030 1506 A 86 ASN HA A 89 GLN HGy 1.0 . 4.40 2031 1507 A 88 LYS H A 88 LYS HDy 1.0 . 4.59 2032 1507 A 88 LYS H A 88 LYS HDx 1.0 . 4.59 2033 1508 A 88 LYS HA A 88 LYS HDy 1.0 . 4.38 2034 1508 A 88 LYS HA A 88 LYS HDx 1.0 . 4.38 2035 1509 A 89 GLN H A 88 LYS HBy 1.0 . 3.56 2036 1509 A 89 GLN H A 88 LYS HBx 1.0 . 3.56 2037 1510 A 89 GLN H A 88 LYS HDy 1.0 . 4.14 2038 1510 A 89 GLN H A 88 LYS HDx 1.0 . 4.14 2039 1511 A 89 GLN H A 89 GLN HGx 1.0 . 3.45 2040 1511 A 89 GLN H A 89 GLN HGy 1.0 . 3.45 2041 1512 A 89 GLN H A 90 LYS HGx 1.0 . 4.61 2042 1512 A 89 GLN H A 90 LYS HGy 1.0 . 4.61 2043 1513 A 89 GLN HA A 89 GLN HGx 1.0 . 3.35 2044 1513 A 89 GLN HGy A 89 GLN HA 1.0 . 3.35 2045 1514 A 91 GLY H A 90 LYS HGx 1.0 . 5.09 2046 1514 A 91 GLY H A 90 LYS HGy 1.0 . 5.09 2047 1515 A 93 ILE H A 91 GLY HAy 1.0 . 4.60 2048 1515 A 93 ILE H A 91 GLY HAx 1.0 . 4.60 2049 1516 A 94 GLU H A 91 GLY HAy 1.0 . 5.34 2050 1516 A 94 GLU H A 91 GLY HAx 1.0 . 5.34 2051 1517 A 93 ILE H A 93 ILE HG1y 1.0 . 3.50 2052 1517 A 93 ILE H A 93 ILE HG1x 1.0 . 3.50 2053 1518 A 93 ILE HA A 93 ILE HG1y 1.0 . 3.58 2054 1518 A 93 ILE HA A 93 ILE HG1x 1.0 . 3.58 2055 1519 A 93 ILE HG2% A 93 ILE HG1y 1.0 . 2.81 2056 1519 A 93 ILE HG2% A 93 ILE HG1x 1.0 . 2.81 2057 1520 A 94 GLU H A 93 ILE HG1y 1.0 . 4.37 2058 1520 A 94 GLU H A 93 ILE HG1x 1.0 . 4.37 2059 1521 A 94 GLU H A 94 GLU HBx 1.0 . 3.11 2060 1521 A 94 GLU H A 94 GLU HBy 1.0 . 3.11 2061 1522 A 95 GLY H A 94 GLU HBx 1.0 . 4.07 2062 1522 A 95 GLY H A 94 GLU HBy 1.0 . 4.07 2063 1523 A 96 ARG H A 96 ARG HBx 1.0 . 3.17 2064 1523 A 96 ARG H A 96 ARG HBy 1.0 . 3.17 2065 1524 A 99 GLU H A 99 GLU HBy 1.0 . 3.29 2066 1524 A 99 GLU H A 99 GLU HBx 1.0 . 3.29 2067 1525 A 99 GLU H A 99 GLU HGx 1.0 . 4.45 2068 1525 A 99 GLU H A 99 GLU HGy 1.0 . 4.45 2069 1526 A 99 GLU HA A 99 GLU HGx 1.0 . 3.44 2070 1526 A 99 GLU HA A 99 GLU HGy 1.0 . 3.44 2071 1527 A 100 PHE HBy A 99 GLU HBy 1.0 . 5.34 2072 1527 A 100 PHE HBy A 99 GLU HBx 1.0 . 5.34 2073 1528 A 100 PHE H A 99 GLU HGx 1.0 . 4.61 2074 1528 A 100 PHE H A 99 GLU HGy 1.0 . 4.61 2075 1529 A 100 PHE HE% A 102 SER HBy 1.0 . 4.35 2076 1529 A 100 PHE HE% A 102 SER HBx 1.0 . 4.35 2077 1530 A 102 SER H A 102 SER HBy 1.0 . 3.29 2078 1530 A 102 SER H A 102 SER HBx 1.0 . 3.29 2079 1531 A 105 VAL H A 103 PRO HBy 1.0 . 4.18 2080 1531 A 105 VAL H A 103 PRO HBx 1.0 . 4.18 2081 1532 A 104 GLU HGx A 105 VAL HGy% 1.0 . 5.06 2082 1532 A 104 GLU HGy A 105 VAL HGy% 1.0 . 5.06 2083 1532 A 105 VAL HGx% A 104 GLU HGx 1.0 . 5.06 2084 1532 A 104 GLU HGy A 105 VAL HGx% 1.0 . 5.06 2085 1533 A 105 VAL H A 105 VAL HGy% 1.0 . 3.11 2086 1533 A 105 VAL H A 105 VAL HGx% 1.0 . 3.11 2087 1534 A 105 VAL HA A 105 VAL HGy% 1.0 . 3.03 2088 1534 A 105 VAL HA A 105 VAL HGx% 1.0 . 3.03 2089 1535 A 106 PHE H A 105 VAL HGy% 1.0 . 3.76 2090 1535 A 106 PHE H A 105 VAL HGx% 1.0 . 3.76 2091 1536 A 108 HIS HE1 A 105 VAL HGy% 1.0 . 4.73 2092 1536 A 105 VAL HGx% A 108 HIS HE1 1.0 . 4.73 2093 1537 A 109 ILE H A 105 VAL HGy% 1.0 . 4.44 2094 1537 A 109 ILE H A 105 VAL HGx% 1.0 . 4.44 2095 1538 A 110 TRP HE1 A 106 PHE HBx 1.0 . 5.34 2096 1538 A 110 TRP HE1 A 106 PHE HBy 1.0 . 5.34 2097 1539 A 108 HIS HD2 A 108 HIS HBy 1.0 . 3.39 2098 1539 A 108 HIS HD2 A 108 HIS HBx 1.0 . 3.39 2099 1540 A 110 TRP HE3 A 113 LEU HBx 1.0 . 3.92 2100 1540 A 110 TRP HE3 A 113 LEU HBy 1.0 . 3.92 2101 1541 A 110 TRP HZ3 A 113 LEU HBx 1.0 . 4.76 2102 1541 A 110 TRP HZ3 A 113 LEU HBy 1.0 . 4.76 2103 1542 A 111 ASP H A 111 ASP HBx 1.0 . 3.33 2104 1542 A 111 ASP H A 111 ASP HBy 1.0 . 3.33 2105 1543 A 112 PHE H A 111 ASP HBx 1.0 . 3.79 2106 1543 A 112 PHE H A 111 ASP HBy 1.0 . 3.79 2107 1544 A 112 PHE HD% A 111 ASP HBx 1.0 . 4.43 2108 1544 A 112 PHE HD% A 111 ASP HBy 1.0 . 4.43 2109 1545 A 112 PHE H A 112 PHE HBx 1.0 . 3.25 2110 1545 A 112 PHE H A 112 PHE HBy 1.0 . 3.25 2111 1546 A 113 LEU H A 113 LEU HBx 1.0 . 3.29 2112 1546 A 113 LEU H A 113 LEU HBy 1.0 . 3.29 2113 1547 A 113 LEU H A 114 GLU HGx 1.0 . 5.20 2114 1547 A 113 LEU H A 114 GLU HGy 1.0 . 5.20 2115 1548 A 114 GLU H A 113 LEU HBx 1.0 . 4.27 2116 1548 A 114 GLU H A 113 LEU HBy 1.0 . 4.27 2117 1549 A 114 GLU H A 114 GLU HBy 1.0 . 3.47 2118 1549 A 114 GLU H A 114 GLU HBx 1.0 . 3.47 2119 1550 A 114 GLU H A 114 GLU HGx 1.0 . 4.01 2120 1550 A 114 GLU H A 114 GLU HGy 1.0 . 4.01 2121 1551 A 115 GLN H A 114 GLU HBy 1.0 . 4.05 2122 1551 A 115 GLN H A 114 GLU HBx 1.0 . 4.05 2123 1552 A 115 GLN H A 115 GLN HBy 1.0 . 3.49 2124 1552 A 115 GLN H A 115 GLN HBx 1.0 . 3.49 2125 1553 A 115 GLN H A 116 PRO HDx 1.0 . 4.55 2126 1553 A 115 GLN H A 116 PRO HDy 1.0 . 4.55 2127 1554 A 117 ILE H A 116 PRO HDx 1.0 . 4.96 2128 1554 A 117 ILE H A 116 PRO HDy 1.0 . 4.96 2129 1555 A 117 ILE H A 117 ILE HG1x 1.0 . 3.55 2130 1555 A 117 ILE H A 117 ILE HG1y 1.0 . 3.55 2131 1556 A 117 ILE H A 118 SER HBy 1.0 . 5.34 2132 1556 A 117 ILE H A 118 SER HBx 1.0 . 5.34 2133 1557 A 118 SER H A 118 SER HBy 1.0 . 3.58 2134 1557 A 118 SER H A 118 SER HBx 1.0 . 3.58 2135 1558 A 121 GLN H A 121 GLN HBx 1.0 . 3.22 2136 1558 A 121 GLN H A 121 GLN HBy 1.0 . 3.22 2137 1559 A 121 GLN H A 122 PRO HDy 1.0 . 4.93 2138 1559 A 121 GLN H A 122 PRO HDx 1.0 . 4.93 2139 1560 A 121 GLN HA A 122 PRO HDy 1.0 . 2.79 2140 1560 A 121 GLN HA A 122 PRO HDx 1.0 . 2.79 2141 1561 A 121 GLN HBx A 122 PRO HDy 1.0 . 4.33 2142 1561 A 121 GLN HBy A 122 PRO HDy 1.0 . 4.33 2143 1561 A 122 PRO HDx A 121 GLN HBx 1.0 . 4.33 2144 1561 A 121 GLN HBy A 122 PRO HDx 1.0 . 4.33 2145 1562 A 123 ILE H A 122 PRO HBx 1.0 . 3.98 2146 1562 A 123 ILE H A 122 PRO HBy 1.0 . 3.98 2147 1563 A 123 ILE H A 122 PRO HDy 1.0 . 4.96 2148 1563 A 123 ILE H A 122 PRO HDx 1.0 . 4.96 2149 1564 A 123 ILE H A 123 ILE HG1x 1.0 . 3.45 2150 1564 A 123 ILE H A 123 ILE HG1y 1.0 . 3.45 2151 1565 A 124 ASP H A 123 ILE HG1x 1.0 . 4.31 2152 1565 A 124 ASP H A 123 ILE HG1y 1.0 . 4.31 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLN C A 4 SER N A 4 SER CA A 4 SER C 1.0 -113.0 -38.3 PHI 2 2 A 4 SER N A 4 SER CA A 4 SER C A 5 PRO N 1.0 109.3 172.7 PSI 3 3 A 5 PRO C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -125.7 -30.5 PHI 4 4 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 ASP N 1.0 -68.3 31.4 PSI 5 5 A 6 GLY C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -84.7 -47.0 PHI 6 6 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 SER N 1.0 -52.7 -21.1 PSI 7 7 A 7 ASP C A 8 SER N A 8 SER CA A 8 SER C 1.0 -84.3 -46.3 PHI 8 8 A 8 SER N A 8 SER CA A 8 SER C A 9 ARG N 1.0 -56.5 -15.3 PSI 9 9 A 8 SER C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -77.2 -50.5 PHI 10 10 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ARG N 1.0 -53.1 -32.4 PSI 11 11 A 9 ARG C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -76.8 -51.8 PHI 12 12 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 LEU N 1.0 -54.2 -22.6 PSI 13 13 A 10 ARG C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -78.0 -54.9 PHI 14 14 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 SER N 1.0 -56.7 -27.5 PSI 15 15 A 11 LEU C A 12 SER N A 12 SER CA A 12 SER C 1.0 -82.2 -53.6 PHI 16 16 A 12 SER N A 12 SER CA A 12 SER C A 13 ILE N 1.0 -50.7 -24.1 PSI 17 17 A 12 SER C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -78.0 -54.1 PHI 18 18 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLN N 1.0 -55.1 -31.8 PSI 19 19 A 13 ILE C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -70.1 -50.1 PHI 20 20 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 ARG N 1.0 -54.2 -29.6 PSI 21 21 A 14 GLN C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -76.0 -56.0 PHI 22 22 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ALA N 1.0 -50.8 -28.6 PSI 23 23 A 15 ARG C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -74.5 -54.5 PHI 24 24 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 -56.8 -30.2 PSI 25 25 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -74.3 -54.3 PHI 26 26 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 GLN N 1.0 -53.5 -32.1 PSI 27 27 A 17 ILE C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -78.3 -49.8 PHI 28 28 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 SER N 1.0 -59.3 -19.7 PSI 29 29 A 18 GLN C A 19 SER N A 19 SER CA A 19 SER C 1.0 -83.6 -49.8 PHI 30 30 A 19 SER N A 19 SER CA A 19 SER C A 20 LEU N 1.0 -46.5 -26.5 PSI 31 31 A 19 SER C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -75.5 -54.6 PHI 32 32 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 VAL N 1.0 -53.4 -33.4 PSI 33 33 A 20 LEU C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -73.0 -53.0 PHI 34 34 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 HIS N 1.0 -58.6 -29.1 PSI 35 35 A 22 HIS C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -75.0 -55.0 PHI 36 36 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -52.3 -25.0 PSI 37 37 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -91.8 -47.8 PHI 38 38 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 GLN N 1.0 -52.7 -4.5 PSI 39 39 A 24 ALA C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -129.1 -72.8 PHI 40 40 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 CYS N 1.0 -40.6 32.1 PSI 41 41 A 26 CYS C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -144.2 -67.9 PHI 42 42 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ASN N 1.0 87.5 155.2 PSI 43 43 A 27 ARG C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -175.9 -38.1 PHI 44 44 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 ALA N 1.0 85.4 176.5 PSI 45 45 A 28 ASN C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -106.4 -41.9 PHI 46 46 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ASN N 1.0 -37.4 -5.1 PSI 47 47 A 31 CYS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -138.3 -63.8 PHI 48 48 A 32 SER N A 32 SER CA A 32 SER C A 33 LEU N 1.0 93.5 153.6 PSI 49 49 A 32 SER C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -139.2 -28.0 PHI 50 50 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 PRO N 1.0 92.4 192.2 PSI 51 51 A 34 PRO C A 35 SER N A 35 SER CA A 35 SER C 1.0 -88.6 -55.4 PHI 52 52 A 35 SER N A 35 SER CA A 35 SER C A 36 CYS N 1.0 -58.5 -3.6 PSI 53 53 A 36 CYS C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -67.7 -47.7 PHI 54 54 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 LYS N 1.0 -53.5 -33.5 PSI 55 55 A 37 GLN C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -73.5 -53.5 PHI 56 56 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 MET N 1.0 -52.9 -31.4 PSI 57 57 A 38 LYS C A 39 MET N A 39 MET CA A 39 MET C 1.0 -75.6 -55.6 PHI 58 58 A 39 MET N A 39 MET CA A 39 MET C A 40 LYS N 1.0 -54.7 -31.4 PSI 59 59 A 39 MET C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -80.0 -50.9 PHI 60 60 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -58.1 -29.8 PSI 61 61 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -72.9 -52.9 PHI 62 62 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 VAL N 1.0 -53.4 -27.0 PSI 63 63 A 41 ARG C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -74.3 -54.3 PHI 64 64 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 VAL N 1.0 -59.9 -29.5 PSI 65 65 A 42 VAL C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -73.9 -53.9 PHI 66 66 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 GLN N 1.0 -52.3 -25.9 PSI 67 67 A 43 VAL C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -74.7 -54.7 PHI 68 68 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 HIS N 1.0 -55.7 -26.6 PSI 69 69 A 45 HIS C A 46 THR N A 46 THR CA A 46 THR C 1.0 -72.9 -52.9 PHI 70 70 A 46 THR N A 46 THR CA A 46 THR C A 47 LYS N 1.0 -55.0 -20.9 PSI 71 71 A 46 THR C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -92.3 -50.3 PHI 72 72 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 GLY N 1.0 -46.2 -13.1 PSI 73 73 A 47 LYS C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 -123.7 -76.8 PHI 74 74 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 CYS N 1.0 -26.8 28.9 PSI 75 75 A 50 LYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -82.3 -49.9 PHI 76 76 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 LYS N 1.0 -68.5 16.7 PSI 77 77 A 51 ARG C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -74.5 -54.2 PHI 78 78 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 THR N 1.0 -58.5 -18.8 PSI 79 79 A 52 LYS C A 53 THR N A 53 THR CA A 53 THR C 1.0 -108.7 -31.2 PHI 80 80 A 53 THR N A 53 THR CA A 53 THR C A 54 ASN N 1.0 -63.3 -19.0 PSI 81 81 A 53 THR C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -99.0 -57.9 PHI 82 82 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 GLY N 1.0 -48.6 19.1 PSI 83 83 A 55 GLY C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -267.7 36.9 PHI 84 84 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 CYS N 1.0 80.7 257.0 PSI 85 85 A 58 PRO C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -76.6 -56.6 PHI 86 86 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 CYS N 1.0 -60.6 -21.0 PSI 87 87 A 60 CYS C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -70.7 -50.1 PHI 88 88 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 GLN N 1.0 -58.1 -24.4 PSI 89 89 A 61 LYS C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -75.1 -55.1 PHI 90 90 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 LEU N 1.0 -60.0 -22.7 PSI 91 91 A 62 GLN C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -75.1 -52.6 PHI 92 92 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ILE N 1.0 -57.3 -24.5 PSI 93 93 A 63 LEU C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -72.9 -52.9 PHI 94 94 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ALA N 1.0 -55.4 -34.4 PSI 95 95 A 64 ILE C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -69.9 -44.1 PHI 96 96 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -56.9 -27.6 PSI 97 97 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -74.9 -54.9 PHI 98 98 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ALA N 1.0 -53.5 -29.4 PSI 99 99 A 66 LEU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -71.2 -51.2 PHI 100 100 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ALA N 1.0 -56.3 -26.6 PSI 101 101 A 67 ALA C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -79.1 -46.4 PHI 102 102 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 TYR N 1.0 -61.5 -28.2 PSI 103 103 A 68 ALA C A 69 TYR N A 69 TYR CA A 69 TYR C 1.0 -76.0 -56.0 PHI 104 104 A 69 TYR N A 69 TYR CA A 69 TYR C A 70 HIS N 1.0 -53.0 -29.6 PSI 105 105 A 70 HIS C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -74.7 -54.7 PHI 106 106 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 LYS N 1.0 -51.5 -20.3 PSI 107 107 A 71 ALA C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -91.0 -41.5 PHI 108 108 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 HIS N 1.0 -46.7 -10.4 PSI 109 109 A 74 CYS C A 75 GLN N A 75 GLN CA A 75 GLN C 1.0 -142.0 -64.1 PHI 110 110 A 75 GLN N A 75 GLN CA A 75 GLN C A 76 GLU N 1.0 89.6 160.7 PSI 111 111 A 75 GLN C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -132.2 -55.1 PHI 112 112 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 ASN N 1.0 83.9 183.5 PSI 113 113 A 77 ASN C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -130.0 -60.0 PHI 114 114 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 CYS N 1.0 71.7 152.0 PSI 115 115 A 80 PRO C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -110.8 -37.9 PHI 116 116 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 PRO N 1.0 67.1 191.6 PSI 117 117 A 82 PRO C A 83 PHE N A 83 PHE CA A 83 PHE C 1.0 -86.0 -48.3 PHI 118 118 A 83 PHE N A 83 PHE CA A 83 PHE C A 84 CYS N 1.0 -61.3 -6.6 PSI 119 119 A 84 CYS C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -67.4 -47.4 PHI 120 120 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ASN N 1.0 -64.7 -14.0 PSI 121 121 A 85 LEU C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -75.8 -55.1 PHI 122 122 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 ILE N 1.0 -53.3 -33.3 PSI 123 123 A 86 ASN C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -75.4 -55.4 PHI 124 124 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 LYS N 1.0 -53.3 -30.5 PSI 125 125 A 87 ILE C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -76.9 -51.0 PHI 126 126 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 GLN N 1.0 -52.1 -26.1 PSI 127 127 A 88 LYS C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -81.4 -52.9 PHI 128 128 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 LYS N 1.0 -57.4 3.5 PSI 129 129 A 89 GLN C A 90 LYS N A 90 LYS CA A 90 LYS C 1.0 -118.3 -66.1 PHI 130 130 A 90 LYS N A 90 LYS CA A 90 LYS C A 91 GLY N 1.0 -54.1 22.3 PSI 131 131 A 100 PHE C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -233.4 28.8 PHI 132 132 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 SER N 1.0 91.4 192.9 PSI 133 133 A 101 LEU C A 102 SER N A 102 SER CA A 102 SER C 1.0 -138.7 -24.8 PHI 134 134 A 102 SER N A 102 SER CA A 102 SER C A 103 PRO N 1.0 100.4 178.6 PSI 135 135 A 103 PRO C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -84.3 -50.6 PHI 136 136 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 VAL N 1.0 -49.7 -8.0 PSI 137 137 A 104 GLU C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -91.7 -43.4 PHI 138 138 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 PHE N 1.0 -51.5 -15.4 PSI 139 139 A 105 VAL C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -81.3 -51.1 PHI 140 140 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 GLN N 1.0 -63.0 -8.2 PSI 141 141 A 106 PHE C A 107 GLN N A 107 GLN CA A 107 GLN C 1.0 -76.5 -52.8 PHI 142 142 A 107 GLN N A 107 GLN CA A 107 GLN C A 108 HIS N 1.0 -49.0 -20.4 PSI 143 143 A 107 GLN C A 108 HIS N A 108 HIS CA A 108 HIS C 1.0 -83.5 -52.2 PHI 144 144 A 108 HIS N A 108 HIS CA A 108 HIS C A 109 ILE N 1.0 -65.1 2.0 PSI 145 145 A 108 HIS C A 109 ILE N A 109 ILE CA A 109 ILE C 1.0 -77.6 -54.2 PHI 146 146 A 109 ILE N A 109 ILE CA A 109 ILE C A 110 TRP N 1.0 -61.6 -6.5 PSI 147 147 A 109 ILE C A 110 TRP N A 110 TRP CA A 110 TRP C 1.0 -82.3 -52.3 PHI 148 148 A 110 TRP N A 110 TRP CA A 110 TRP C A 111 ASP N 1.0 -59.4 -4.1 PSI 149 149 A 110 TRP C A 111 ASP N A 111 ASP CA A 111 ASP C 1.0 -76.8 -52.5 PHI 150 150 A 111 ASP N A 111 ASP CA A 111 ASP C A 112 PHE N 1.0 -51.5 -19.3 PSI 151 151 A 111 ASP C A 112 PHE N A 112 PHE CA A 112 PHE C 1.0 -80.5 -55.2 PHI 152 152 A 112 PHE N A 112 PHE CA A 112 PHE C A 113 LEU N 1.0 -52.2 -14.3 PSI 153 153 A 112 PHE C A 113 LEU N A 113 LEU CA A 113 LEU C 1.0 -118.4 -36.1 PHI 154 154 A 113 LEU N A 113 LEU CA A 113 LEU C A 114 GLU N 1.0 -67.4 -6.0 PSI 155 155 A 113 LEU C A 114 GLU N A 114 GLU CA A 114 GLU C 1.0 -140.8 -56.3 PHI 156 156 A 114 GLU N A 114 GLU CA A 114 GLU C A 115 GLN N 1.0 -45.6 33.9 PSI 157 157 A 114 GLU C A 115 GLN N A 115 GLN CA A 115 GLN C 1.0 -141.4 -44.0 PHI 158 158 A 115 GLN N A 115 GLN CA A 115 GLN C A 116 PRO N 1.0 55.0 193.2 PSI stop_ save_