data_nef_c17824_2lgv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1LDJ PDB 1LDK PDB 1U6G PDB 2HYE PDB 3DQV PDB 3DPL PDB 3RTR 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 89 ASP OD1 2 3 ZN ZN 1 72 HIS ND1 2 1 ZN ZN 1 37 CYS SG 2 1 ZN ZN 1 75 CYS SG 2 1 ZN ZN 1 74 HIS ND1 2 2 ZN ZN 1 67 CYS SG 2 3 ZN ZN 1 60 CYS SG 2 2 ZN ZN 1 48 CYS SG 2 2 ZN ZN 1 86 CYS SG 2 3 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 45 CYS SG 2 2 ZN ZN 1 69 HIS ND1 2 3 ZN ZN 1 89 ASP OD2 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 9 GLY start . false 2 A 10 GLY middle . false 3 A 11 GLY middle . false 4 A 12 GLY middle . false 5 A 13 THR middle . . 6 A 14 ASN middle . . 7 A 15 SER middle . . 8 A 16 GLY middle . false 9 A 17 ALA middle . . 10 A 18 GLY middle . false 11 A 19 LYS middle . . 12 A 20 LYS middle . . 13 A 21 ARG middle . . 14 A 22 PHE middle . . 15 A 23 GLU middle . . 16 A 24 VAL middle . . 17 A 25 LYS middle . . 18 A 26 LYS middle . . 19 A 27 SER middle . . 20 A 28 ASN middle . . 21 A 29 ALA middle . . 22 A 30 SER middle . . 23 A 31 ALA middle . . 24 A 32 GLN middle . . 25 A 33 SER middle . . 26 A 34 ALA middle . . 27 A 35 TRP middle . . 28 A 36 ASP middle . . 29 A 37 ILE middle . . 30 A 38 VAL middle . . 31 A 39 VAL middle . . 32 A 40 ASP middle . . 33 A 41 ASN middle . . 34 A 42 CYS middle -HG . 35 A 43 ALA middle . . 36 A 44 ILE middle . . 37 A 45 CYS middle -HG . 38 A 46 ARG middle . . 39 A 47 ASN middle . . 40 A 48 HIS middle . . 41 A 49 ILE middle . . 42 A 50 MET middle . . 43 A 51 ASP middle . . 44 A 52 LEU middle . . 45 A 53 CYS middle -HG . 46 A 54 ILE middle . . 47 A 55 GLU middle . . 48 A 56 CYS middle -HG . 49 A 57 GLN middle . . 50 A 58 ALA middle . . 51 A 59 ASN middle . . 52 A 60 GLN middle . . 53 A 61 ALA middle . . 54 A 62 SER middle . . 55 A 63 ALA middle . . 56 A 64 THR middle . . 57 A 65 SER middle . . 58 A 66 GLU middle . . 59 A 67 GLU middle . . 60 A 68 CYS middle -HG . 61 A 69 THR middle . . 62 A 70 VAL middle . . 63 A 71 ALA middle . . 64 A 72 TRP middle . . 65 A 73 GLY middle . false 66 A 74 VAL middle . . 67 A 75 CYS middle -HG . 68 A 76 ASN middle . . 69 A 77 HIS middle -HD1 . 70 A 78 ALA middle . . 71 A 79 PHE middle . . 72 A 80 HIS middle -HD1 . 73 A 81 PHE middle . . 74 A 82 HIS middle -HD1 . 75 A 83 CYS middle -HG . 76 A 84 ILE middle . . 77 A 85 SER middle . . 78 A 86 ARG middle . . 79 A 87 TRP middle . . 80 A 88 LEU middle . . 81 A 89 LYS middle . . 82 A 90 THR middle . . 83 A 91 ARG middle . . 84 A 92 GLN middle . . 85 A 93 VAL middle . . 86 A 94 CYS middle -HG . 87 A 95 PRO middle . false 88 A 96 LEU middle . . 89 A 97 ASP middle . . 90 A 98 ASN middle . . 91 A 99 ARG middle . . 92 A 100 GLU middle . . 93 A 101 TRP middle . . 94 A 102 GLU middle . . 95 A 103 PHE middle . . 96 A 104 GLN middle . . 97 A 105 LYS middle . . 98 A 106 TYR middle . . 99 A 107 GLY middle . false 100 A 108 HIS end . . 101 B 1 ZN . . . 102 B 2 ZN . . . 103 B 3 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 35 TRP H H 1 7.831 0.010 A 35 TRP HA H 1 4.643 0.010 A 35 TRP HBx H 1 3.153 0.010 A 35 TRP HBy H 1 3.286 0.010 A 35 TRP HD1 H 1 7.313 0.010 A 35 TRP HE3 H 1 7.565 0.010 A 35 TRP HH2 H 1 7.157 0.010 A 35 TRP HZ2 H 1 7.433 0.010 A 35 TRP HZ3 H 1 7.080 0.010 A 35 TRP C C 13 175.833 0.200 A 35 TRP CA C 13 56.900 0.200 A 35 TRP CB C 13 29.375 0.200 A 35 TRP CD1 C 13 127.902 0.200 A 35 TRP CE3 C 13 120.824 0.200 A 35 TRP CH2 C 13 124.646 0.200 A 35 TRP CZ2 C 13 114.626 0.200 A 35 TRP CZ3 C 13 120.957 0.200 A 35 TRP N N 15 118.681 0.100 A 36 ASP H H 1 8.111 0.010 A 36 ASP HA H 1 4.574 0.010 A 36 ASP HBy H 1 2.538 0.010 A 36 ASP C C 13 175.821 0.200 A 36 ASP CA C 13 54.622 0.200 A 36 ASP CB C 13 41.150 0.200 A 36 ASP N N 15 121.178 0.100 A 37 ILE H H 1 7.820 0.010 A 37 ILE HA H 1 4.156 0.010 A 37 ILE HB H 1 1.863 0.010 A 37 ILE HD1% H 1 0.837 0.010 A 37 ILE HG1x H 1 1.153 0.010 A 37 ILE HG1y H 1 1.471 0.010 A 37 ILE HG2% H 1 0.908 0.010 A 37 ILE C C 13 175.817 0.200 A 37 ILE CA C 13 61.638 0.200 A 37 ILE CB C 13 39.034 0.200 A 37 ILE CD1 C 13 13.097 0.200 A 37 ILE CG1 C 13 27.500 0.200 A 37 ILE CG2 C 13 17.411 0.200 A 37 ILE N N 15 120.177 0.100 A 38 VAL H H 1 8.203 0.010 A 38 VAL HA H 1 4.160 0.010 A 38 VAL HB H 1 0.931 0.010 A 38 VAL C C 13 176.102 0.200 A 38 VAL CA C 13 62.055 0.200 A 38 VAL CB C 13 32.764 0.200 A 38 VAL CGx C 13 21.141 0.200 A 38 VAL N N 15 124.844 0.100 A 39 VAL H H 1 8.163 0.010 A 39 VAL HA H 1 4.138 0.010 A 39 VAL HB H 1 2.048 0.010 A 39 VAL HGx% H 1 0.930 0.010 A 39 VAL HGy% H 1 0.885 0.010 A 39 VAL C C 13 174.919 0.200 A 39 VAL CA C 13 62.605 0.200 A 39 VAL CB C 13 32.825 0.200 A 39 VAL CGy C 13 21.197 0.200 A 39 VAL CGx C 13 20.745 0.200 A 39 VAL N N 15 123.813 0.100 A 40 ASP H H 1 8.154 0.010 A 40 ASP HA H 1 4.468 0.010 A 40 ASP HBx H 1 2.543 0.010 A 40 ASP HBy H 1 2.546 0.010 A 40 ASP C C 13 174.408 0.200 A 40 ASP CA C 13 54.389 0.200 A 40 ASP CB C 13 41.155 0.200 A 40 ASP N N 15 122.074 0.100 A 41 ASN H H 1 7.901 0.010 A 41 ASN HA H 1 4.762 0.010 A 41 ASN HBx H 1 2.211 0.010 A 41 ASN HBy H 1 2.376 0.010 A 41 ASN C C 13 174.643 0.200 A 41 ASN CA C 13 52.326 0.200 A 41 ASN CB C 13 40.384 0.200 A 41 ASN N N 15 115.983 0.100 A 42 CYS H H 1 8.503 0.010 A 42 CYS HA H 1 4.286 0.010 A 42 CYS HBx H 1 2.158 0.010 A 42 CYS HBy H 1 3.520 0.010 A 42 CYS C C 13 176.756 0.200 A 42 CYS CA C 13 58.800 0.200 A 42 CYS CB C 13 30.773 0.200 A 42 CYS N N 15 123.612 0.100 A 43 ALA H H 1 9.493 0.010 A 43 ALA HA H 1 4.165 0.010 A 43 ALA HB% H 1 1.489 0.010 A 43 ALA C C 13 177.706 0.200 A 43 ALA CA C 13 53.643 0.200 A 43 ALA CB C 13 19.411 0.200 A 43 ALA N N 15 132.181 0.100 A 44 ILE H H 1 7.956 0.010 A 44 ILE HA H 1 3.796 0.010 A 44 ILE HB H 1 1.633 0.010 A 44 ILE HD1% H 1 -0.128 0.010 A 44 ILE HG1x H 1 0.250 0.010 A 44 ILE HG1y H 1 1.090 0.010 A 44 ILE HG2% H 1 0.925 0.010 A 44 ILE C C 13 176.208 0.200 A 44 ILE CA C 13 64.532 0.200 A 44 ILE CB C 13 39.092 0.200 A 44 ILE CD1 C 13 12.845 0.200 A 44 ILE CG1 C 13 28.199 0.200 A 44 ILE CG2 C 13 16.673 0.200 A 44 ILE N N 15 116.079 0.100 A 45 CYS H H 1 7.818 0.010 A 45 CYS HA H 1 5.024 0.010 A 45 CYS HBx H 1 3.354 0.010 A 45 CYS HBy H 1 3.356 0.010 A 45 CYS C C 13 175.747 0.200 A 45 CYS CA C 13 59.181 0.200 A 45 CYS CB C 13 32.878 0.200 A 45 CYS N N 15 116.456 0.100 A 46 ARG H H 1 8.511 0.010 A 46 ARG HA H 1 4.005 0.010 A 46 ARG HBx H 1 2.093 0.010 A 46 ARG HBy H 1 2.328 0.010 A 46 ARG HDy H 1 3.146 0.010 A 46 ARG HGx H 1 1.463 0.010 A 46 ARG HGy H 1 1.524 0.010 A 46 ARG C C 13 175.539 0.200 A 46 ARG CA C 13 59.784 0.200 A 46 ARG CB C 13 26.594 0.200 A 46 ARG CD C 13 43.145 0.200 A 46 ARG CG C 13 27.692 0.200 A 46 ARG N N 15 117.125 0.100 A 47 ASN H H 1 8.720 0.010 A 47 ASN HA H 1 5.012 0.010 A 47 ASN HBx H 1 2.920 0.010 A 47 ASN HBy H 1 3.397 0.010 A 47 ASN C C 13 175.537 0.200 A 47 ASN CA C 13 49.022 0.200 A 47 ASN CB C 13 39.015 0.200 A 47 ASN N N 15 121.377 0.100 A 48 HIS H H 1 9.226 0.010 A 48 HIS HA H 1 4.499 0.010 A 48 HIS HBx H 1 3.034 0.010 A 48 HIS HBy H 1 3.152 0.010 A 48 HIS HD2 H 1 7.100 0.010 A 48 HIS HE1 H 1 7.753 0.010 A 48 HIS C C 13 177.722 0.200 A 48 HIS CA C 13 58.872 0.200 A 48 HIS CB C 13 30.720 0.200 A 48 HIS CD2 C 13 119.818 0.200 A 48 HIS CE1 C 13 138.206 0.200 A 48 HIS N N 15 122.235 0.100 A 49 ILE H H 1 7.991 0.010 A 49 ILE HA H 1 3.400 0.010 A 49 ILE HB H 1 1.170 0.010 A 49 ILE HD1% H 1 0.204 0.010 A 49 ILE HG1x H 1 0.846 0.010 A 49 ILE HG1y H 1 1.116 0.010 A 49 ILE HG2% H 1 0.587 0.010 A 49 ILE CA C 13 61.488 0.200 A 49 ILE CB C 13 38.971 0.200 A 49 ILE CD1 C 13 13.119 0.200 A 49 ILE CG1 C 13 27.796 0.200 A 49 ILE CG2 C 13 18.722 0.200 A 49 ILE N N 15 126.643 0.100 A 50 MET HA H 1 4.268 0.010 A 50 MET HBx H 1 2.142 0.010 A 50 MET HBy H 1 2.202 0.010 A 50 MET HGx H 1 1.742 0.010 A 50 MET C C 13 177.236 0.200 A 50 MET CA C 13 54.795 0.200 A 50 MET CB C 13 31.357 0.200 A 50 MET CG C 13 33.047 0.200 A 51 ASP H H 1 7.854 0.010 A 51 ASP HA H 1 5.013 0.010 A 51 ASP HBx H 1 2.811 0.010 A 51 ASP HBy H 1 3.024 0.010 A 51 ASP C C 13 176.770 0.200 A 51 ASP CA C 13 50.103 0.200 A 51 ASP CB C 13 43.285 0.200 A 51 ASP N N 15 121.143 0.100 A 52 LEU H H 1 8.484 0.010 A 52 LEU HA H 1 4.346 0.010 A 52 LEU HBx H 1 1.436 0.010 A 52 LEU HBy H 1 1.576 0.010 A 52 LEU HDx% H 1 0.864 0.010 A 52 LEU HDy% H 1 0.965 0.010 A 52 LEU HG H 1 1.844 0.010 A 52 LEU C C 13 177.049 0.200 A 52 LEU CA C 13 55.431 0.200 A 52 LEU CB C 13 43.355 0.200 A 52 LEU CDy C 13 25.663 0.200 A 52 LEU CDx C 13 23.389 0.200 A 52 LEU CG C 13 26.945 0.200 A 52 LEU N N 15 119.501 0.100 A 53 CYS H H 1 8.151 0.010 A 53 CYS HA H 1 3.846 0.010 A 53 CYS HBx H 1 2.111 0.010 A 53 CYS HBy H 1 3.376 0.010 A 53 CYS C C 13 175.247 0.200 A 53 CYS CA C 13 57.831 0.200 A 53 CYS CB C 13 31.644 0.200 A 53 CYS N N 15 120.790 0.100 A 54 ILE H H 1 6.626 0.010 A 54 ILE HA H 1 3.935 0.010 A 54 ILE HB H 1 1.810 0.010 A 54 ILE HD1% H 1 0.996 0.010 A 54 ILE HG1x H 1 1.265 0.010 A 54 ILE HG1y H 1 1.557 0.010 A 54 ILE HG2% H 1 1.044 0.010 A 54 ILE C C 13 176.615 0.200 A 54 ILE CA C 13 63.906 0.200 A 54 ILE CB C 13 39.034 0.200 A 54 ILE CD1 C 13 14.129 0.200 A 54 ILE CG1 C 13 27.641 0.200 A 54 ILE CG2 C 13 18.303 0.200 A 54 ILE N N 15 116.790 0.100 A 55 GLU H H 1 7.642 0.010 A 55 GLU HA H 1 4.154 0.010 A 55 GLU HBx H 1 1.969 0.010 A 55 GLU HBy H 1 2.033 0.010 A 55 GLU HGx H 1 2.143 0.010 A 55 GLU HGy H 1 2.257 0.010 A 55 GLU C C 13 179.075 0.200 A 55 GLU CA C 13 59.781 0.200 A 55 GLU CB C 13 30.464 0.200 A 55 GLU CG C 13 36.835 0.200 A 55 GLU N N 15 123.451 0.100 A 56 CYS H H 1 8.676 0.010 A 56 CYS HA H 1 3.988 0.010 A 56 CYS HBx H 1 2.923 0.010 A 56 CYS HBy H 1 2.973 0.010 A 56 CYS C C 13 178.290 0.200 A 56 CYS CA C 13 64.978 0.200 A 56 CYS CB C 13 29.652 0.200 A 56 CYS N N 15 124.445 0.100 A 57 GLN H H 1 8.419 0.010 A 57 GLN HA H 1 3.892 0.010 A 57 GLN HBx H 1 1.938 0.010 A 57 GLN HBy H 1 2.022 0.010 A 57 GLN HGx H 1 2.254 0.010 A 57 GLN HGy H 1 2.368 0.010 A 57 GLN C C 13 177.428 0.200 A 57 GLN CA C 13 58.872 0.200 A 57 GLN CB C 13 28.828 0.200 A 57 GLN CG C 13 34.024 0.200 A 57 GLN N N 15 117.736 0.100 A 58 ALA H H 1 7.335 0.010 A 58 ALA HA H 1 4.277 0.010 A 58 ALA HB% H 1 1.487 0.010 A 58 ALA C C 13 178.087 0.200 A 58 ALA CA C 13 53.522 0.200 A 58 ALA CB C 13 19.017 0.200 A 58 ALA N N 15 119.578 0.100 A 59 ASN H H 1 7.617 0.010 A 59 ASN HA H 1 4.818 0.010 A 59 ASN HBx H 1 2.710 0.010 A 59 ASN HBy H 1 2.917 0.010 A 59 ASN HD2y H 1 7.634 0.010 A 59 ASN HD2x H 1 6.916 0.010 A 59 ASN C C 13 175.372 0.200 A 59 ASN CA C 13 52.658 0.200 A 59 ASN CB C 13 39.109 0.200 A 59 ASN N N 15 116.209 0.100 A 59 ASN ND2 N 15 113.293 0.100 A 60 GLN H H 1 8.116 0.010 A 60 GLN HA H 1 4.212 0.010 A 60 GLN HBx H 1 2.087 0.010 A 60 GLN HBy H 1 2.200 0.010 A 60 GLN HGx H 1 2.396 0.010 A 60 GLN HGy H 1 2.422 0.010 A 60 GLN C C 13 176.218 0.200 A 60 GLN CA C 13 57.310 0.200 A 60 GLN CB C 13 28.650 0.200 A 60 GLN CG C 13 33.954 0.200 A 60 GLN N N 15 120.078 0.100 A 61 ALA H H 1 8.345 0.010 A 61 ALA HA H 1 4.318 0.010 A 61 ALA HB% H 1 1.438 0.010 A 61 ALA C C 13 177.964 0.200 A 61 ALA CA C 13 53.440 0.200 A 61 ALA CB C 13 18.652 0.200 A 61 ALA N N 15 122.298 0.100 A 62 SER H H 1 8.011 0.010 A 62 SER HA H 1 4.454 0.010 A 62 SER C C 13 174.747 0.200 A 62 SER CA C 13 58.197 0.200 A 62 SER CB C 13 63.906 0.200 A 62 SER N N 15 113.232 0.100 A 63 ALA H H 1 8.323 0.010 A 63 ALA HA H 1 4.183 0.010 A 63 ALA HB% H 1 1.181 0.010 A 63 ALA C C 13 178.091 0.200 A 63 ALA CA C 13 53.006 0.200 A 63 ALA CB C 13 18.756 0.200 A 63 ALA N N 15 125.573 0.100 A 64 THR H H 1 8.071 0.010 A 64 THR HA H 1 4.495 0.010 A 64 THR HB H 1 4.379 0.010 A 64 THR HG2% H 1 1.240 0.010 A 64 THR C C 13 175.346 0.200 A 64 THR CA C 13 61.903 0.200 A 64 THR CB C 13 69.903 0.200 A 64 THR CG2 C 13 21.789 0.200 A 64 THR N N 15 111.006 0.100 A 65 SER H H 1 8.328 0.010 A 65 SER HA H 1 4.524 0.010 A 65 SER HBx H 1 3.882 0.010 A 65 SER HBy H 1 3.964 0.010 A 65 SER C C 13 175.131 0.200 A 65 SER CA C 13 59.795 0.200 A 65 SER CB C 13 63.833 0.200 A 65 SER N N 15 118.037 0.100 A 66 GLU H H 1 8.368 0.010 A 66 GLU HA H 1 4.314 0.010 A 66 GLU C C 13 176.394 0.200 A 66 GLU CA C 13 56.995 0.200 A 66 GLU CB C 13 30.310 0.200 A 66 GLU CG C 13 36.459 0.200 A 66 GLU N N 15 121.505 0.100 A 67 GLU H H 1 8.074 0.010 A 67 GLU HA H 1 4.291 0.010 A 67 GLU C C 13 175.079 0.200 A 67 GLU CA C 13 56.480 0.200 A 67 GLU CB C 13 29.931 0.200 A 67 GLU CG C 13 36.579 0.200 A 67 GLU N N 15 119.409 0.100 A 68 CYS H H 1 8.340 0.010 A 68 CYS HA H 1 4.288 0.010 A 68 CYS HBx H 1 3.211 0.010 A 68 CYS HBy H 1 3.310 0.010 A 68 CYS C C 13 174.423 0.200 A 68 CYS CA C 13 59.809 0.200 A 68 CYS CB C 13 28.670 0.200 A 68 CYS N N 15 126.937 0.100 A 69 THR H H 1 7.497 0.010 A 69 THR HA H 1 4.891 0.010 A 69 THR HB H 1 4.399 0.010 A 69 THR HG2% H 1 1.145 0.010 A 69 THR C C 13 175.561 0.200 A 69 THR CA C 13 60.817 0.200 A 69 THR CB C 13 71.654 0.200 A 69 THR CG2 C 13 21.457 0.200 A 69 THR N N 15 116.442 0.100 A 70 VAL H H 1 8.862 0.010 A 70 VAL HA H 1 4.335 0.010 A 70 VAL HB H 1 1.897 0.010 A 70 VAL HGx% H 1 0.915 0.010 A 70 VAL HGy% H 1 0.387 0.010 A 70 VAL C C 13 174.368 0.200 A 70 VAL CA C 13 62.942 0.200 A 70 VAL CB C 13 33.897 0.200 A 70 VAL CGy C 13 23.399 0.200 A 70 VAL CGx C 13 21.468 0.200 A 70 VAL N N 15 123.637 0.100 A 71 ALA H H 1 9.247 0.010 A 71 ALA HA H 1 5.286 0.010 A 71 ALA HB% H 1 1.904 0.010 A 71 ALA C C 13 174.520 0.200 A 71 ALA CA C 13 50.772 0.200 A 71 ALA CB C 13 23.975 0.200 A 71 ALA N N 15 128.540 0.100 A 72 TRP H H 1 9.065 0.010 A 72 TRP HA H 1 5.420 0.010 A 72 TRP HBx H 1 3.057 0.010 A 72 TRP HBy H 1 3.212 0.010 A 72 TRP HD1 H 1 7.117 0.010 A 72 TRP HE1 H 1 9.983 0.010 A 72 TRP HE3 H 1 7.335 0.010 A 72 TRP HH2 H 1 7.098 0.010 A 72 TRP HZ2 H 1 7.245 0.010 A 72 TRP HZ3 H 1 6.967 0.010 A 72 TRP C C 13 177.182 0.200 A 72 TRP CA C 13 56.763 0.200 A 72 TRP CB C 13 32.630 0.200 A 72 TRP CD1 C 13 126.471 0.200 A 72 TRP CE3 C 13 120.429 0.200 A 72 TRP CH2 C 13 122.111 0.200 A 72 TRP CZ2 C 13 114.349 0.200 A 72 TRP CZ3 C 13 122.410 0.200 A 72 TRP N N 15 120.167 0.100 A 72 TRP NE1 N 15 129.324 0.100 A 73 GLY H H 1 9.128 0.010 A 73 GLY HAx H 1 2.985 0.010 A 73 GLY HAy H 1 4.306 0.010 A 73 GLY C C 13 177.914 0.200 A 73 GLY CA C 13 44.167 0.200 A 73 GLY N N 15 110.755 0.100 A 74 VAL H H 1 8.299 0.010 A 74 VAL HA H 1 3.836 0.010 A 74 VAL HB H 1 2.032 0.010 A 74 VAL HGx% H 1 0.844 0.010 A 74 VAL C C 13 176.014 0.200 A 74 VAL CA C 13 64.993 0.200 A 74 VAL CB C 13 31.720 0.200 A 74 VAL CGy C 13 21.434 0.200 A 74 VAL CGx C 13 21.007 0.200 A 74 VAL N N 15 122.747 0.100 A 75 CYS H H 1 7.567 0.010 A 75 CYS HA H 1 4.295 0.010 A 75 CYS HBx H 1 2.743 0.010 A 75 CYS HBy H 1 3.193 0.010 A 75 CYS C C 13 174.359 0.200 A 75 CYS CA C 13 58.217 0.200 A 75 CYS CB C 13 29.701 0.200 A 75 CYS N N 15 116.720 0.100 A 76 ASN H H 1 8.060 0.010 A 76 ASN HA H 1 4.434 0.010 A 76 ASN HBx H 1 2.972 0.010 A 76 ASN HBy H 1 3.038 0.010 A 76 ASN C C 13 173.726 0.200 A 76 ASN CA C 13 55.652 0.200 A 76 ASN CB C 13 36.948 0.200 A 76 ASN N N 15 114.522 0.100 A 77 HIS H H 1 7.797 0.010 A 77 HIS HA H 1 4.717 0.010 A 77 HIS HBx H 1 2.701 0.010 A 77 HIS HBy H 1 3.204 0.010 A 77 HIS HD2 H 1 7.204 0.010 A 77 HIS HE1 H 1 7.992 0.010 A 77 HIS C C 13 172.650 0.200 A 77 HIS CA C 13 57.826 0.200 A 77 HIS CB C 13 32.889 0.200 A 77 HIS CD2 C 13 118.577 0.200 A 77 HIS CE1 C 13 137.891 0.200 A 77 HIS N N 15 117.754 0.100 A 78 ALA H H 1 7.811 0.010 A 78 ALA HA H 1 4.949 0.010 A 78 ALA HB% H 1 -0.235 0.010 A 78 ALA C C 13 174.873 0.200 A 78 ALA CA C 13 49.529 0.200 A 78 ALA CB C 13 20.077 0.200 A 78 ALA N N 15 122.889 0.100 A 79 PHE H H 1 8.377 0.010 A 79 PHE HA H 1 4.699 0.010 A 79 PHE HBx H 1 2.044 0.010 A 79 PHE HBy H 1 3.451 0.010 A 79 PHE HDx H 1 7.117 0.010 A 79 PHE HDy H 1 7.117 0.010 A 79 PHE HEx H 1 6.935 0.010 A 79 PHE HEy H 1 6.935 0.010 A 79 PHE C C 13 176.138 0.200 A 79 PHE CA C 13 55.349 0.200 A 79 PHE CB C 13 45.586 0.200 A 79 PHE CDx C 13 132.401 0.200 A 79 PHE CDy C 13 132.401 0.200 A 79 PHE CEx C 13 129.215 0.200 A 79 PHE CEy C 13 129.215 0.200 A 79 PHE N N 15 113.618 0.100 A 80 HIS H H 1 8.429 0.010 A 80 HIS HA H 1 4.829 0.010 A 80 HIS HBx H 1 3.991 0.010 A 80 HIS HBy H 1 4.258 0.010 A 80 HIS HD2 H 1 7.332 0.010 A 80 HIS HE1 H 1 7.681 0.010 A 80 HIS C C 13 177.268 0.200 A 80 HIS CA C 13 60.949 0.200 A 80 HIS CB C 13 29.735 0.200 A 80 HIS CD2 C 13 119.576 0.200 A 80 HIS CE1 C 13 138.920 0.200 A 80 HIS N N 15 118.823 0.100 A 81 PHE H H 1 9.881 0.010 A 81 PHE HA H 1 4.339 0.010 A 81 PHE HBx H 1 2.949 0.010 A 81 PHE HBy H 1 3.138 0.010 A 81 PHE HDx H 1 7.130 0.010 A 81 PHE HDy H 1 7.130 0.010 A 81 PHE C C 13 178.911 0.200 A 81 PHE CA C 13 61.838 0.200 A 81 PHE CB C 13 39.056 0.200 A 81 PHE CDx C 13 131.010 0.200 A 81 PHE CDy C 13 131.010 0.200 A 81 PHE N N 15 129.040 0.100 A 82 HIS H H 1 10.457 0.010 A 82 HIS HA H 1 4.286 0.010 A 82 HIS HBx H 1 3.346 0.010 A 82 HIS HBy H 1 3.721 0.010 A 82 HIS HD2 H 1 7.318 0.010 A 82 HIS HE1 H 1 7.070 0.010 A 82 HIS C C 13 177.694 0.200 A 82 HIS CA C 13 58.904 0.200 A 82 HIS CB C 13 32.833 0.200 A 82 HIS CD2 C 13 116.794 0.200 A 82 HIS CE1 C 13 137.336 0.200 A 82 HIS N N 15 120.611 0.100 A 83 CYS H H 1 6.933 0.010 A 83 CYS HA H 1 4.154 0.010 A 83 CYS HBx H 1 2.935 0.010 A 83 CYS HBy H 1 3.150 0.010 A 83 CYS C C 13 177.768 0.200 A 83 CYS CA C 13 62.968 0.200 A 83 CYS CB C 13 28.904 0.200 A 83 CYS N N 15 117.628 0.100 A 84 ILE H H 1 8.290 0.010 A 84 ILE HA H 1 3.842 0.010 A 84 ILE HB H 1 1.025 0.010 A 84 ILE HD1% H 1 -0.593 0.010 A 84 ILE HG1x H 1 -0.368 0.010 A 84 ILE HG1y H 1 0.262 0.010 A 84 ILE HG2% H 1 1.056 0.010 A 84 ILE C C 13 175.705 0.200 A 84 ILE CA C 13 59.877 0.200 A 84 ILE CB C 13 38.077 0.200 A 84 ILE CD1 C 13 13.155 0.200 A 84 ILE CG1 C 13 27.857 0.200 A 84 ILE CG2 C 13 20.153 0.200 A 84 ILE N N 15 119.139 0.100 A 85 SER H H 1 8.157 0.010 A 85 SER HA H 1 3.995 0.010 A 85 SER HBx H 1 3.489 0.010 A 85 SER HBy H 1 3.633 0.010 A 85 SER C C 13 176.097 0.200 A 85 SER CA C 13 62.841 0.200 A 85 SER CB C 13 62.009 0.200 A 85 SER N N 15 118.224 0.100 A 86 ARG H H 1 7.174 0.010 A 86 ARG HA H 1 4.024 0.010 A 86 ARG HBx H 1 2.005 0.010 A 86 ARG HBy H 1 2.034 0.010 A 86 ARG HDx H 1 3.237 0.010 A 86 ARG HDy H 1 3.287 0.010 A 86 ARG HGx H 1 1.578 0.010 A 86 ARG HGy H 1 1.769 0.010 A 86 ARG C C 13 179.382 0.200 A 86 ARG CA C 13 59.865 0.200 A 86 ARG CB C 13 29.860 0.200 A 86 ARG CD C 13 43.272 0.200 A 86 ARG CG C 13 27.717 0.200 A 86 ARG N N 15 120.496 0.100 A 87 TRP H H 1 7.981 0.010 A 87 TRP HA H 1 4.159 0.010 A 87 TRP HBx H 1 3.159 0.010 A 87 TRP HBy H 1 3.268 0.010 A 87 TRP HD1 H 1 6.590 0.010 A 87 TRP HE1 H 1 10.127 0.010 A 87 TRP HE3 H 1 7.512 0.010 A 87 TRP HH2 H 1 7.426 0.010 A 87 TRP HZ2 H 1 7.152 0.010 A 87 TRP C C 13 177.572 0.200 A 87 TRP CA C 13 60.924 0.200 A 87 TRP CB C 13 29.246 0.200 A 87 TRP CD1 C 13 127.310 0.200 A 87 TRP CE3 C 13 120.550 0.200 A 87 TRP CH2 C 13 122.933 0.200 A 87 TRP CZ2 C 13 113.633 0.200 A 87 TRP N N 15 123.951 0.100 A 87 TRP NE1 N 15 130.200 0.100 A 88 LEU H H 1 8.246 0.010 A 88 LEU HA H 1 4.763 0.010 A 88 LEU HBy H 1 1.738 0.010 A 88 LEU HBx H 1 1.571 0.010 A 88 LEU HDx% H 1 0.511 0.010 A 88 LEU HDy% H 1 0.756 0.010 A 88 LEU HG H 1 1.721 0.010 A 88 LEU C C 13 178.008 0.200 A 88 LEU CA C 13 55.728 0.200 A 88 LEU CB C 13 42.196 0.200 A 88 LEU CDy C 13 26.671 0.200 A 88 LEU CDx C 13 21.542 0.200 A 88 LEU CG C 13 26.696 0.200 A 88 LEU N N 15 116.707 0.100 A 89 LYS H H 1 7.309 0.010 A 89 LYS HA H 1 4.081 0.010 A 89 LYS HBy H 1 1.905 0.010 A 89 LYS HDx H 1 1.709 0.010 A 89 LYS HEx H 1 2.971 0.010 A 89 LYS HGx H 1 1.546 0.010 A 89 LYS HGy H 1 1.778 0.010 A 89 LYS C C 13 178.385 0.200 A 89 LYS CA C 13 58.911 0.200 A 89 LYS CB C 13 32.304 0.200 A 89 LYS CD C 13 28.714 0.200 A 89 LYS CE C 13 42.129 0.200 A 89 LYS CG C 13 25.465 0.200 A 89 LYS N N 15 117.240 0.100 A 90 THR H H 1 7.452 0.010 A 90 THR HA H 1 4.383 0.010 A 90 THR HB H 1 3.989 0.010 A 90 THR HG2% H 1 1.011 0.010 A 90 THR C C 13 173.919 0.200 A 90 THR CA C 13 62.069 0.200 A 90 THR CB C 13 70.133 0.200 A 90 THR CG2 C 13 21.567 0.200 A 90 THR N N 15 106.446 0.100 A 91 ARG H H 1 7.426 0.010 A 91 ARG HA H 1 4.405 0.010 A 91 ARG HBx H 1 0.754 0.010 A 91 ARG HBy H 1 1.363 0.010 A 91 ARG HDx H 1 2.474 0.010 A 91 ARG HDy H 1 2.577 0.010 A 91 ARG HGx H 1 0.910 0.010 A 91 ARG HGy H 1 1.164 0.010 A 91 ARG C C 13 174.754 0.200 A 91 ARG CA C 13 54.833 0.200 A 91 ARG CB C 13 33.885 0.200 A 91 ARG CD C 13 43.149 0.200 A 91 ARG CG C 13 26.643 0.200 A 91 ARG N N 15 121.616 0.100 A 92 GLN H H 1 8.526 0.010 A 92 GLN HA H 1 4.708 0.010 A 92 GLN HBx H 1 2.059 0.010 A 92 GLN HBy H 1 2.442 0.010 A 92 GLN HGx H 1 2.415 0.010 A 92 GLN HGy H 1 2.424 0.010 A 92 GLN C C 13 176.437 0.200 A 92 GLN CA C 13 55.783 0.200 A 92 GLN CB C 13 28.958 0.200 A 92 GLN CG C 13 34.640 0.200 A 92 GLN N N 15 118.161 0.100 A 93 VAL H H 1 7.083 0.010 A 93 VAL HA H 1 5.065 0.010 A 93 VAL HB H 1 1.907 0.010 A 93 VAL HGx% H 1 0.790 0.010 A 93 VAL HGy% H 1 0.907 0.010 A 93 VAL C C 13 174.806 0.200 A 93 VAL CA C 13 58.348 0.200 A 93 VAL CB C 13 35.308 0.200 A 93 VAL CGy C 13 21.510 0.200 A 93 VAL CGx C 13 17.462 0.200 A 93 VAL N N 15 109.557 0.100 A 94 CYS H H 1 9.020 0.010 A 94 CYS HA H 1 4.504 0.010 A 94 CYS HBx H 1 3.533 0.010 A 94 CYS HBy H 1 4.022 0.010 A 94 CYS CA C 13 56.860 0.200 A 94 CYS CB C 13 30.765 0.200 A 94 CYS N N 15 123.889 0.100 A 95 PRO HA H 1 4.080 0.010 A 95 PRO HBx H 1 0.833 0.010 A 95 PRO HBy H 1 1.064 0.010 A 95 PRO HDx H 1 2.604 0.010 A 95 PRO HDy H 1 3.469 0.010 A 95 PRO HGx H 1 -0.374 0.010 A 95 PRO HGy H 1 0.563 0.010 A 95 PRO C C 13 177.037 0.200 A 95 PRO CA C 13 63.998 0.200 A 95 PRO CB C 13 31.662 0.200 A 95 PRO CD C 13 50.248 0.200 A 95 PRO CG C 13 25.487 0.200 A 96 LEU H H 1 8.798 0.010 A 96 LEU HA H 1 4.316 0.010 A 96 LEU HBx H 1 1.029 0.010 A 96 LEU HBy H 1 1.029 0.010 A 96 LEU HDx% H 1 0.367 0.010 A 96 LEU HDy% H 1 0.636 0.010 A 96 LEU HG H 1 1.211 0.010 A 96 LEU C C 13 177.797 0.200 A 96 LEU CA C 13 55.812 0.200 A 96 LEU CB C 13 43.074 0.200 A 96 LEU CDy C 13 25.234 0.200 A 96 LEU CDx C 13 22.443 0.200 A 96 LEU CG C 13 27.015 0.200 A 96 LEU N N 15 118.497 0.100 A 97 ASP H H 1 7.396 0.010 A 97 ASP HA H 1 4.952 0.010 A 97 ASP HBx H 1 2.814 0.010 A 97 ASP HBy H 1 3.179 0.010 A 97 ASP C C 13 175.946 0.200 A 97 ASP CA C 13 54.712 0.200 A 97 ASP CB C 13 43.183 0.200 A 97 ASP N N 15 114.958 0.100 A 98 ASN H H 1 8.332 0.010 A 98 ASN HA H 1 4.424 0.010 A 98 ASN HBx H 1 2.836 0.010 A 98 ASN HBy H 1 3.179 0.010 A 98 ASN C C 13 173.934 0.200 A 98 ASN CA C 13 55.302 0.200 A 98 ASN CB C 13 38.996 0.200 A 98 ASN N N 15 115.407 0.100 A 99 ARG H H 1 8.825 0.010 A 99 ARG HA H 1 4.472 0.010 A 99 ARG HBx H 1 1.863 0.010 A 99 ARG HBy H 1 1.874 0.010 A 99 ARG HDx H 1 3.119 0.010 A 99 ARG HDy H 1 3.228 0.010 A 99 ARG HGy H 1 1.683 0.010 A 99 ARG C C 13 176.631 0.200 A 99 ARG CA C 13 55.821 0.200 A 99 ARG CB C 13 30.970 0.200 A 99 ARG CD C 13 43.334 0.200 A 99 ARG CG C 13 27.602 0.200 A 99 ARG N N 15 119.005 0.100 A 100 GLU H H 1 8.869 0.010 A 100 GLU HA H 1 4.150 0.010 A 100 GLU HBy H 1 2.038 0.010 A 100 GLU HGx H 1 2.347 0.010 A 100 GLU HGy H 1 2.364 0.010 A 100 GLU C C 13 176.647 0.200 A 100 GLU CA C 13 58.348 0.200 A 100 GLU CB C 13 29.734 0.200 A 100 GLU CG C 13 36.449 0.200 A 100 GLU N N 15 122.676 0.100 A 101 TRP H H 1 8.437 0.010 A 101 TRP HA H 1 4.603 0.010 A 101 TRP HBx H 1 2.740 0.010 A 101 TRP HBy H 1 2.834 0.010 A 101 TRP HD1 H 1 7.172 0.010 A 101 TRP HE1 H 1 10.061 0.010 A 101 TRP HE3 H 1 7.429 0.010 A 101 TRP HH2 H 1 7.261 0.010 A 101 TRP HZ2 H 1 6.797 0.010 A 101 TRP C C 13 175.786 0.200 A 101 TRP CA C 13 57.935 0.200 A 101 TRP CB C 13 29.758 0.200 A 101 TRP CD1 C 13 127.109 0.200 A 101 TRP CE3 C 13 120.079 0.200 A 101 TRP CH2 C 13 124.922 0.200 A 101 TRP CZ2 C 13 112.547 0.200 A 101 TRP N N 15 126.288 0.100 A 101 TRP NE1 N 15 129.321 0.100 A 102 GLU H H 1 7.319 0.010 A 102 GLU HA H 1 4.272 0.010 A 102 GLU HBy H 1 1.743 0.010 A 102 GLU HGy H 1 2.171 0.010 A 102 GLU C C 13 174.791 0.200 A 102 GLU CA C 13 54.724 0.200 A 102 GLU CB C 13 33.255 0.200 A 102 GLU CG C 13 36.134 0.200 A 102 GLU N N 15 127.912 0.100 A 103 PHE H H 1 8.827 0.010 A 103 PHE HA H 1 4.368 0.010 A 103 PHE HBx H 1 3.071 0.010 A 103 PHE HBy H 1 3.152 0.010 A 103 PHE HDx H 1 7.849 0.010 A 103 PHE HDy H 1 7.849 0.010 A 103 PHE HEx H 1 7.618 0.010 A 103 PHE HEy H 1 7.618 0.010 A 103 PHE C C 13 176.419 0.200 A 103 PHE CA C 13 60.070 0.200 A 103 PHE CB C 13 39.874 0.200 A 103 PHE CDx C 13 133.149 0.200 A 103 PHE CDy C 13 133.149 0.200 A 103 PHE CEx C 13 131.841 0.200 A 103 PHE CEy C 13 131.841 0.200 A 103 PHE N N 15 122.445 0.100 A 104 GLN H H 1 9.119 0.010 A 104 GLN HA H 1 4.286 0.010 A 104 GLN HBx H 1 1.593 0.010 A 104 GLN HBy H 1 1.826 0.010 A 104 GLN HGy H 1 2.119 0.010 A 104 GLN C C 13 175.487 0.200 A 104 GLN CA C 13 56.270 0.200 A 104 GLN CB C 13 30.546 0.200 A 104 GLN CG C 13 33.878 0.200 A 104 GLN N N 15 122.896 0.100 A 105 LYS H H 1 8.308 0.010 A 105 LYS HA H 1 4.436 0.010 A 105 LYS HBx H 1 1.711 0.010 A 105 LYS HBy H 1 1.780 0.010 A 105 LYS HDx H 1 1.504 0.010 A 105 LYS HEx H 1 2.681 0.010 A 105 LYS HGx H 1 1.250 0.010 A 105 LYS HGy H 1 1.319 0.010 A 105 LYS C C 13 175.219 0.200 A 105 LYS CA C 13 56.282 0.200 A 105 LYS CB C 13 33.804 0.200 A 105 LYS CD C 13 28.808 0.200 A 105 LYS CE C 13 41.954 0.200 A 105 LYS CG C 13 24.586 0.200 A 105 LYS N N 15 121.917 0.100 A 106 TYR H H 1 8.431 0.010 A 106 TYR HA H 1 4.814 0.010 A 106 TYR HBx H 1 2.832 0.010 A 106 TYR HBy H 1 3.003 0.010 A 106 TYR HDx H 1 6.958 0.010 A 106 TYR HDy H 1 6.958 0.010 A 106 TYR HEx H 1 6.601 0.010 A 106 TYR HEy H 1 6.601 0.010 A 106 TYR C C 13 176.017 0.200 A 106 TYR CA C 13 57.828 0.200 A 106 TYR CB C 13 39.606 0.200 A 106 TYR CDx C 13 133.135 0.200 A 106 TYR CDy C 13 133.135 0.200 A 106 TYR CEx C 13 118.020 0.200 A 106 TYR CEy C 13 118.020 0.200 A 106 TYR N N 15 121.451 0.100 A 107 GLY H H 1 8.395 0.010 A 107 GLY HAx H 1 3.781 0.010 A 107 GLY HAy H 1 3.938 0.010 A 107 GLY C C 13 172.723 0.200 A 107 GLY CA C 13 45.282 0.200 A 107 GLY N N 15 110.965 0.100 A 108 HIS H H 1 7.723 0.010 A 108 HIS HA H 1 4.395 0.010 A 108 HIS HBx H 1 2.934 0.010 A 108 HIS HBy H 1 3.115 0.010 A 108 HIS HD2 H 1 6.922 0.010 A 108 HIS CA C 13 57.829 0.200 A 108 HIS CB C 13 30.833 0.200 A 108 HIS CD2 C 13 119.856 0.200 A 108 HIS CE1 C 13 137.342 0.200 A 108 HIS N N 15 123.614 0.100 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 43 ALA H A 79 PHE HDy 1.0 0.0 3.74 2 2 A 43 ALA H A 42 CYS HA 1.0 0.0 2.76 3 3 A 43 ALA H A 42 CYS HBy 1.0 0.0 4.64 4 4 A 43 ALA H A 43 ALA HB% 1.0 0.0 2.79 5 5 A 87 TRP HE1 A 88 LEU HDy% 1.0 0.0 3.61 6 6 A 87 TRP HE1 A 95 PRO HDy 1.0 0.0 3.90 7 7 A 81 PHE H A 82 HIS H 1.0 0.0 3.58 8 8 A 81 PHE H A 80 HIS HA 1.0 0.0 2.84 9 9 A 81 PHE H A 70 VAL HA 1.0 0.0 2.95 10 10 A 81 PHE H A 80 HIS HBy 1.0 0.0 4.76 11 11 A 81 PHE H A 81 PHE HBx 1.0 0.0 3.09 12 12 A 81 PHE H A 81 PHE HBy 1.0 0.0 3.12 13 13 A 81 PHE H A 71 ALA HB% 1.0 0.0 3.94 14 14 A 81 PHE H A 71 ALA H 1.0 0.0 3.73 15 15 A 80 HIS HA A 71 ALA H 1.0 0.0 3.57 16 16 A 70 VAL HA A 71 ALA H 1.0 0.0 2.66 17 17 A 71 ALA HB% A 71 ALA H 1.0 0.0 3.11 18 18 A 71 ALA H A 70 VAL HGx% 1.0 0.0 3.97 19 19 A 71 ALA H A 70 VAL HGy% 1.0 0.0 3.14 20 20 A 67 GLU H A 68 CYS H 1.0 0.0 3.61 21 21 A 68 CYS H A 65 SER HA 1.0 0.0 4.45 22 22 A 68 CYS H A 67 GLU HA 1.0 0.0 2.57 23 23 A 68 CYS H A 68 CYS HBx 1.0 0.0 3.01 24 24 A 68 CYS H A 68 CYS HBy 1.0 0.0 3.15 25 25 A 68 CYS H A 67 GLU HBy 1.0 0.0 4.31 26 26 A 68 CYS H A 52 LEU HDy% 1.0 0.0 3.80 27 27 A 74 VAL H A 102 GLU H 1.0 0.0 3.85 28 28 A 102 GLU H A 101 TRP HA 1.0 0.0 2.73 29 29 A 102 GLU H A 75 CYS HBy 1.0 0.0 4.23 30 30 A 102 GLU H A 101 TRP HBy 1.0 0.0 4.51 31 31 A 102 GLU H A 102 GLU HBx 1.0 0.0 3.19 32 31 A 102 GLU H A 102 GLU HBy 1.0 0.0 3.19 33 32 A 93 VAL HA A 101 TRP H 1.0 0.0 3.07 34 33 A 101 TRP H A 100 GLU HA 1.0 0.0 2.72 35 34 A 37 ILE HA A 38 VAL H 1.0 0.0 3.18 36 35 A 101 TRP H A 101 TRP HBx 1.0 0.0 3.06 37 36 A 101 TRP H A 100 GLU HGy 1.0 0.0 3.71 38 36 A 101 TRP H A 100 GLU HGx 1.0 0.0 3.71 39 37 A 101 TRP H A 100 GLU HBx 1.0 0.0 4.18 40 37 A 101 TRP H A 100 GLU HBy 1.0 0.0 4.18 41 38 A 38 VAL H A 37 ILE HB 1.0 0.0 4.55 42 39 A 88 LEU HDy% A 101 TRP H 1.0 0.0 3.44 43 40 A 48 HIS H A 49 ILE H 1.0 0.0 4.72 44 41 A 49 ILE H A 41 ASN HA 1.0 0.0 3.14 45 42 A 49 ILE H A 48 HIS HA 1.0 0.0 2.89 46 43 A 49 ILE H A 48 HIS HBx 1.0 0.0 3.98 47 44 A 49 ILE H A 48 HIS HBy 1.0 0.0 3.95 48 45 A 49 ILE H A 49 ILE HB 1.0 0.0 3.04 49 46 A 49 ILE H A 49 ILE HG1y 1.0 0.0 4.49 50 47 A 49 ILE H A 49 ILE HG2% 1.0 0.0 3.13 51 48 A 101 TRP H A 94 CYS H 1.0 0.0 3.92 52 49 A 94 CYS H A 97 ASP H 1.0 0.0 4.72 53 50 A 93 VAL HA A 94 CYS H 1.0 0.0 2.78 54 51 A 100 GLU HA A 94 CYS H 1.0 0.0 4.37 55 52 A 94 CYS H A 94 CYS HBx 1.0 0.0 2.92 56 53 A 94 CYS H A 94 CYS HBy 1.0 0.0 3.59 57 54 A 94 CYS H A 93 VAL HB 1.0 0.0 2.86 58 55 A 94 CYS H A 93 VAL HGy% 1.0 0.0 3.76 59 56 A 94 CYS H A 93 VAL HGx% 1.0 0.0 3.66 60 57 A 55 GLU H A 56 CYS H 1.0 0.0 3.02 61 58 A 69 THR HA A 70 VAL H 1.0 0.0 3.22 62 59 A 70 VAL H A 69 THR HB 1.0 0.0 3.29 63 60 A 56 CYS H A 56 CYS HBy 1.0 0.0 2.85 64 60 A 56 CYS H A 56 CYS HBx 1.0 0.0 2.85 65 61 A 56 CYS H A 55 GLU HBy 1.0 0.0 3.42 66 61 A 56 CYS H A 55 GLU HBx 1.0 0.0 3.42 67 62 A 70 VAL H A 70 VAL HB 1.0 0.0 3.33 68 63 A 56 CYS H A 58 ALA HB% 1.0 0.0 5.16 69 64 A 70 VAL H A 69 THR HG2% 1.0 0.0 3.83 70 65 A 70 VAL HGx% A 70 VAL H 1.0 0.0 3.41 71 66 A 70 VAL HGy% A 70 VAL H 1.0 0.0 4.20 72 67 A 49 ILE H A 42 CYS H 1.0 0.0 3.99 73 68 A 38 VAL HA A 39 VAL H 1.0 0.0 2.95 74 69 A 41 ASN HA A 42 CYS H 1.0 0.0 3.14 75 70 A 48 HIS HA A 42 CYS H 1.0 0.0 3.76 76 71 A 42 CYS H A 42 CYS HBx 1.0 0.0 3.23 77 72 A 39 VAL H A 39 VAL HB 1.0 0.0 3.67 78 73 A 42 CYS H A 41 ASN HBx 1.0 0.0 4.15 79 74 A 42 CYS HBy A 42 CYS H 1.0 0.0 3.50 80 75 A 39 VAL H A 39 VAL HGy% 1.0 0.0 2.86 81 76 A 87 TRP H A 88 LEU H 1.0 0.0 3.08 82 77 A 87 TRP H A 85 SER H 1.0 0.0 3.92 83 78 A 87 TRP H A 86 ARG H 1.0 0.0 3.01 84 79 A 87 TRP H A 84 ILE HA 1.0 0.0 3.47 85 80 A 87 TRP H A 87 TRP HBx 1.0 0.0 2.83 86 81 A 87 TRP H A 87 TRP HBy 1.0 0.0 2.94 87 82 A 87 TRP H A 86 ARG HBx 1.0 0.0 4.13 88 83 A 87 TRP H A 86 ARG HGy 1.0 0.0 4.73 89 84 A 87 TRP H A 44 ILE HD1% 1.0 0.0 4.10 90 85 A 87 TRP H A 84 ILE HD1% 1.0 0.0 4.67 91 86 A 108 HIS H A 108 HIS HE1 1.0 0.0 3.80 92 87 A 108 HIS H A 107 GLY HAx 1.0 0.0 3.29 93 88 A 108 HIS H A 107 GLY HAy 1.0 0.0 3.41 94 89 A 55 GLU H A 54 ILE HA 1.0 0.0 3.48 95 90 A 108 HIS H A 108 HIS HBx 1.0 0.0 3.81 96 91 A 108 HIS H A 108 HIS HBy 1.0 0.0 3.52 97 92 A 55 GLU H A 56 CYS HBy 1.0 0.0 5.01 98 92 A 55 GLU H A 56 CYS HBx 1.0 0.0 5.01 99 93 A 55 GLU H A 55 GLU HGx 1.0 0.0 3.48 100 94 A 55 GLU H A 55 GLU HGy 1.0 0.0 3.74 101 95 A 55 GLU H A 55 GLU HBy 1.0 0.0 2.96 102 95 A 55 GLU H A 55 GLU HBx 1.0 0.0 2.96 103 96 A 55 GLU H A 54 ILE HB 1.0 0.0 3.67 104 97 A 55 GLU H A 54 ILE HG1x 1.0 0.0 3.40 105 98 A 55 GLU H A 54 ILE HG1y 1.0 0.0 3.75 106 99 A 55 GLU H A 54 ILE HG2% 1.0 0.0 3.55 107 100 A 104 GLN H A 105 LYS H 1.0 0.0 4.46 108 101 A 48 HIS H A 47 ASN HA 1.0 0.0 2.77 109 102 A 104 GLN H A 103 PHE HA 1.0 0.0 2.65 110 103 A 48 HIS H A 47 ASN HBx 1.0 0.0 3.65 111 104 A 104 GLN H A 103 PHE HBx 1.0 0.0 3.68 112 104 A 104 GLN H A 103 PHE HBy 1.0 0.0 3.68 113 105 A 104 GLN H A 73 GLY HAy 1.0 0.0 5.50 114 106 A 104 GLN H A 103 PHE HBy 1.0 0.0 5.50 115 107 A 48 HIS H A 48 HIS HBx 1.0 0.0 2.87 116 108 A 48 HIS H A 48 HIS HBy 1.0 0.0 2.89 117 109 A 104 GLN H A 104 GLN HGx 1.0 0.0 4.20 118 109 A 104 GLN H A 104 GLN HGy 1.0 0.0 4.20 119 110 A 104 GLN H A 104 GLN HBx 1.0 0.0 3.23 120 111 A 104 GLN H A 104 GLN HBy 1.0 0.0 3.15 121 112 A 104 GLN H A 74 VAL HGx% 1.0 0.0 3.81 122 112 A 104 GLN H A 74 VAL HG21 1.0 0.0 3.81 123 113 A 103 PHE H A 103 PHE HDx 1.0 0.0 3.59 124 114 A 99 ARG HA A 100 GLU H 1.0 0.0 2.95 125 115 A 103 PHE H A 102 GLU HA 1.0 0.0 2.56 126 116 A 103 PHE H A 103 PHE HBx 1.0 0.0 3.35 127 116 A 103 PHE HBy A 103 PHE H 1.0 0.0 3.35 128 117 A 100 GLU HGx A 100 GLU H 1.0 0.0 4.99 129 118 A 100 GLU H A 100 GLU HGy 1.0 0.0 5.37 130 119 A 100 GLU H A 100 GLU HBx 1.0 0.0 3.10 131 119 A 100 GLU HBy A 100 GLU H 1.0 0.0 3.10 132 120 A 100 GLU H A 99 ARG HBy 1.0 0.0 3.23 133 121 A 103 PHE H A 102 GLU HGx 1.0 0.0 4.38 134 121 A 103 PHE H A 102 GLU HGy 1.0 0.0 4.38 135 122 A 100 GLU H A 99 ARG HGx 1.0 0.0 4.24 136 122 A 100 GLU H A 99 ARG HGy 1.0 0.0 4.24 137 123 A 103 PHE H A 102 GLU HBx 1.0 0.0 3.46 138 123 A 102 GLU HBy A 103 PHE H 1.0 0.0 3.46 139 124 A 74 VAL H A 104 GLN H 1.0 0.0 3.84 140 125 A 74 VAL H A 73 GLY HAx 1.0 0.0 3.37 141 126 A 39 VAL HA A 40 ASP H 1.0 0.0 3.37 142 127 A 74 VAL H A 73 GLY HAy 1.0 0.0 3.33 143 128 A 74 VAL H A 74 VAL HB 1.0 0.0 3.41 144 129 A 66 GLU H A 66 GLU HGx 1.0 0.0 4.77 145 130 A 66 GLU H A 66 GLU HGy 1.0 0.0 5.04 146 131 A 66 GLU H A 66 GLU HBy 1.0 0.0 3.79 147 132 A 74 VAL H A 102 GLU HBx 1.0 0.0 4.00 148 132 A 74 VAL H A 102 GLU HBy 1.0 0.0 4.00 149 133 A 61 ALA H A 61 ALA HB% 1.0 0.0 3.82 150 134 A 74 VAL H A 74 VAL HGx% 1.0 0.0 2.78 151 134 A 74 VAL H A 74 VAL HG21 1.0 0.0 2.78 152 135 A 77 HIS HD2 A 78 ALA H 1.0 0.0 3.94 153 136 A 78 ALA H A 77 HIS HA 1.0 0.0 2.77 154 137 A 78 ALA H A 77 HIS HBx 1.0 0.0 3.91 155 138 A 78 ALA H A 77 HIS HBy 1.0 0.0 3.44 156 139 A 40 ASP H A 40 ASP HBx 1.0 0.0 3.38 157 139 A 40 ASP H A 40 ASP HBy 1.0 0.0 3.38 158 140 A 78 ALA H A 39 VAL HGx% 1.0 0.0 3.97 159 141 A 40 ASP H A 38 VAL HB 1.0 0.0 3.86 160 142 A 39 VAL HGy% A 40 ASP H 1.0 0.0 4.24 161 143 A 78 ALA H A 78 ALA HB% 1.0 0.0 3.27 162 144 A 89 LYS H A 91 ARG H 1.0 0.0 3.73 163 145 A 91 ARG H A 88 LEU HA 1.0 0.0 3.05 164 146 A 91 ARG H A 90 THR HB 1.0 0.0 4.34 165 147 A 91 ARG H A 91 ARG HBx 1.0 0.0 3.86 166 148 A 91 ARG H A 90 THR HG2% 1.0 0.0 4.16 167 149 A 91 ARG H A 91 ARG HGy 1.0 0.0 3.69 168 149 A 91 ARG H A 91 ARG HGx 1.0 0.0 3.69 169 150 A 91 ARG H A 91 ARG HBy 1.0 0.0 3.71 170 151 A 82 HIS H A 80 HIS HA 1.0 0.0 3.93 171 152 A 82 HIS H A 80 HIS HBx 1.0 0.0 4.06 172 153 A 82 HIS H A 80 HIS HBy 1.0 0.0 4.14 173 154 A 82 HIS H A 82 HIS HBx 1.0 0.0 3.43 174 155 A 82 HIS H A 82 HIS HBy 1.0 0.0 3.58 175 156 A 82 HIS H A 81 PHE HBx 1.0 0.0 4.24 176 157 A 82 HIS H A 81 PHE HBy 1.0 0.0 3.60 177 158 A 72 TRP H A 72 TRP HD1 1.0 0.0 4.00 178 159 A 72 TRP H A 71 ALA HA 1.0 0.0 2.76 179 160 A 72 TRP H A 72 TRP HBx 1.0 0.0 3.73 180 161 A 72 TRP H A 72 TRP HBy 1.0 0.0 3.40 181 162 A 71 ALA HB% A 72 TRP H 1.0 0.0 3.54 182 163 A 46 ARG H A 47 ASN H 1.0 0.0 3.21 183 164 A 47 ASN H A 46 ARG HA 1.0 0.0 3.51 184 165 A 47 ASN H A 45 CYS HBx 1.0 0.0 4.08 185 166 A 47 ASN H A 47 ASN HBy 1.0 0.0 3.34 186 167 A 42 CYS HBy A 47 ASN H 1.0 0.0 4.62 187 168 A 47 ASN H A 46 ARG HBy 1.0 0.0 4.92 188 169 A 105 LYS HA A 106 TYR H 1.0 0.0 3.57 189 170 A 53 CYS H A 57 GLN H 1.0 0.0 4.11 190 171 A 38 VAL H A 37 ILE H 1.0 0.0 4.34 191 172 A 53 CYS H A 52 LEU HA 1.0 0.0 2.55 192 173 A 37 ILE H A 36 ASP HA 1.0 0.0 3.58 193 174 A 49 ILE HA A 51 ASP H 1.0 0.0 5.12 194 175 A 53 CYS H A 53 CYS HBx 1.0 0.0 3.48 195 176 A 51 ASP H A 51 ASP HBx 1.0 0.0 3.33 196 176 A 51 ASP H A 51 ASP HBy 1.0 0.0 3.33 197 177 A 56 CYS HBx A 53 CYS H 1.0 0.0 3.61 198 178 A 53 CYS H A 56 CYS HBy 1.0 0.0 3.77 199 179 A 53 CYS H A 53 CYS HBy 1.0 0.0 3.62 200 180 A 53 CYS H A 52 LEU HG 1.0 0.0 5.14 201 181 A 37 ILE H A 36 ASP HBx 1.0 0.0 3.62 202 181 A 37 ILE H A 36 ASP HBy 1.0 0.0 3.62 203 182 A 37 ILE HB A 37 ILE H 1.0 0.0 3.92 204 183 A 53 CYS H A 52 LEU HBx 1.0 0.0 4.64 205 184 A 53 CYS H A 52 LEU HBy 1.0 0.0 3.62 206 185 A 37 ILE H A 37 ILE HG1x 1.0 0.0 3.58 207 186 A 37 ILE H A 37 ILE HG1y 1.0 0.0 3.47 208 187 A 52 LEU HDy% A 53 CYS H 1.0 0.0 3.40 209 188 A 37 ILE H A 37 ILE HG2% 1.0 0.0 3.73 210 189 A 86 ARG H A 83 CYS HA 1.0 0.0 3.67 211 190 A 86 ARG H A 85 SER HBx 1.0 0.0 3.47 212 191 A 86 ARG H A 85 SER HBy 1.0 0.0 4.13 213 192 A 86 ARG H A 86 ARG HDy 1.0 0.0 4.91 214 193 A 86 ARG H A 86 ARG HBx 1.0 0.0 2.76 215 194 A 86 ARG H A 86 ARG HGx 1.0 0.0 3.72 216 195 A 86 ARG H A 86 ARG HGy 1.0 0.0 3.70 217 196 A 98 ASN H A 99 ARG H 1.0 0.0 3.19 218 197 A 99 ARG H A 98 ASN HA 1.0 0.0 3.33 219 198 A 94 CYS HBx A 99 ARG H 1.0 0.0 3.26 220 199 A 94 CYS HBy A 99 ARG H 1.0 0.0 3.86 221 200 A 95 PRO HDx A 96 LEU H 1.0 0.0 3.94 222 201 A 99 ARG H A 97 ASP HBy 1.0 0.0 3.72 223 202 A 99 ARG H A 99 ARG HBx 1.0 0.0 2.83 224 203 A 99 ARG H A 99 ARG HGx 1.0 0.0 3.18 225 203 A 99 ARG HGy A 99 ARG H 1.0 0.0 3.18 226 204 A 96 LEU H A 96 LEU HG 1.0 0.0 3.32 227 205 A 93 VAL HGx% A 99 ARG H 1.0 0.0 4.01 228 206 A 96 LEU H A 96 LEU HBx 1.0 0.0 3.57 229 207 A 96 LEU H A 96 LEU HDy% 1.0 0.0 3.73 230 208 A 96 LEU H A 96 LEU HDx% 1.0 0.0 4.02 231 209 A 80 HIS H A 84 ILE H 1.0 0.0 3.85 232 210 A 51 ASP HA A 52 LEU H 1.0 0.0 3.03 233 211 A 80 HIS H A 79 PHE HA 1.0 0.0 3.33 234 212 A 84 ILE H A 80 HIS HBx 1.0 0.0 4.23 235 213 A 84 ILE H A 81 PHE HA 1.0 0.0 4.60 236 214 A 80 HIS H A 80 HIS HBx 1.0 0.0 3.59 237 215 A 84 ILE H A 80 HIS HBy 1.0 0.0 4.01 238 216 A 84 ILE H A 79 PHE HBx 1.0 0.0 4.25 239 217 A 80 HIS H A 80 HIS HBy 1.0 0.0 3.82 240 218 A 80 HIS H A 79 PHE HBx 1.0 0.0 3.56 241 219 A 52 LEU H A 51 ASP HBx 1.0 0.0 3.72 242 219 A 51 ASP HBy A 52 LEU H 1.0 0.0 3.72 243 220 A 80 HIS H A 83 CYS HBx 1.0 0.0 3.91 244 221 A 84 ILE H A 83 CYS HBx 1.0 0.0 3.20 245 222 A 84 ILE H A 83 CYS HBy 1.0 0.0 3.94 246 223 A 52 LEU HG A 52 LEU H 1.0 0.0 2.98 247 224 A 84 ILE H A 79 PHE HBy 1.0 0.0 3.73 248 225 A 52 LEU HBx A 52 LEU H 1.0 0.0 2.86 249 226 A 52 LEU HBy A 52 LEU H 1.0 0.0 3.68 250 227 A 52 LEU HDy% A 52 LEU H 1.0 0.0 3.91 251 228 A 52 LEU H A 52 LEU HDx% 1.0 0.0 3.93 252 229 A 84 ILE H A 84 ILE HB 1.0 0.0 2.72 253 230 A 84 ILE H A 84 ILE HG2% 1.0 0.0 3.07 254 231 A 44 ILE HD1% A 84 ILE H 1.0 0.0 3.73 255 232 A 84 ILE HD1% A 84 ILE H 1.0 0.0 4.16 256 233 A 67 GLU H A 66 GLU H 1.0 0.0 3.11 257 234 A 85 SER H A 84 ILE H 1.0 0.0 3.08 258 235 A 85 SER H A 86 ARG H 1.0 0.0 3.07 259 236 A 67 GLU H A 64 THR HA 1.0 0.0 4.75 260 237 A 67 GLU H A 65 SER HA 1.0 0.0 5.04 261 238 A 85 SER H A 81 PHE HA 1.0 0.0 3.59 262 239 A 85 SER H A 85 SER HBx 1.0 0.0 3.02 263 240 A 85 SER H A 85 SER HBy 1.0 0.0 3.57 264 241 A 67 GLU H A 67 GLU HGx 1.0 0.0 3.42 265 242 A 67 GLU H A 67 GLU HGy 1.0 0.0 3.71 266 243 A 67 GLU H A 66 GLU HBy 1.0 0.0 2.84 267 243 A 67 GLU H A 66 GLU HBx 1.0 0.0 2.84 268 244 A 85 SER H A 84 ILE HG2% 1.0 0.0 2.78 269 245 A 56 CYS H A 58 ALA H 1.0 0.0 4.63 270 246 A 57 GLN H A 58 ALA H 1.0 0.0 3.13 271 247 A 58 ALA H A 59 ASN H 1.0 0.0 2.85 272 248 A 58 ALA H A 59 ASN HA 1.0 0.0 5.20 273 249 A 58 ALA H A 58 ALA HA 1.0 0.0 2.91 274 250 A 58 ALA H A 55 GLU HA 1.0 0.0 3.41 275 251 A 58 ALA H A 57 GLN HGx 1.0 0.0 4.01 276 252 A 58 ALA H A 57 GLN HGy 1.0 0.0 3.85 277 253 A 58 ALA H A 57 GLN HBx 1.0 0.0 3.49 278 254 A 58 ALA HB% A 58 ALA H 1.0 0.0 2.48 279 255 A 56 CYS H A 57 GLN H 1.0 0.0 3.34 280 256 A 57 GLN H A 59 ASN H 1.0 0.0 4.21 281 257 A 57 GLN H A 55 GLU HA 1.0 0.0 4.77 282 258 A 46 ARG H A 43 ALA HA 1.0 0.0 3.94 283 259 A 57 GLN H A 57 GLN HA 1.0 0.0 2.80 284 260 A 46 ARG H A 46 ARG HA 1.0 0.0 2.79 285 261 A 46 ARG H A 45 CYS HBx 1.0 0.0 4.71 286 262 A 46 ARG H A 45 CYS HBy 1.0 0.0 5.12 287 263 A 88 LEU H A 85 SER HA 1.0 0.0 3.80 288 264 A 56 CYS HBx A 57 GLN H 1.0 0.0 3.37 289 265 A 57 GLN H A 56 CYS HBy 1.0 0.0 3.53 290 266 A 88 LEU H A 87 TRP HBx 1.0 0.0 4.03 291 267 A 57 GLN H A 57 GLN HGx 1.0 0.0 3.17 292 268 A 57 GLN H A 57 GLN HBy 1.0 0.0 2.70 293 269 A 46 ARG H A 46 ARG HBx 1.0 0.0 3.94 294 270 A 46 ARG H A 46 ARG HBy 1.0 0.0 4.19 295 271 A 57 GLN H A 52 LEU HBy 1.0 0.0 3.32 296 272 A 43 ALA HB% A 46 ARG H 1.0 0.0 5.09 297 273 A 46 ARG H A 46 ARG HGx 1.0 0.0 5.50 298 274 A 46 ARG H A 46 ARG HGy 1.0 0.0 5.50 299 275 A 88 LEU H A 88 LEU HBy 1.0 0.0 3.70 300 276 A 52 LEU HDy% A 57 GLN H 1.0 0.0 3.82 301 277 A 57 GLN H A 52 LEU HDx% 1.0 0.0 4.03 302 278 A 88 LEU HDy% A 88 LEU H 1.0 0.0 3.78 303 279 A 88 LEU H A 88 LEU HDx% 1.0 0.0 3.61 304 280 A 73 GLY H A 77 HIS H 1.0 0.0 3.85 305 281 A 46 ARG H A 45 CYS H 1.0 0.0 2.81 306 282 A 29 ALA HA A 30 SER H 1.0 0.0 3.50 307 283 A 73 GLY HAx A 77 HIS H 1.0 0.0 4.44 308 284 A 46 ARG HA A 45 CYS H 1.0 0.0 4.28 309 285 A 42 CYS HBx A 45 CYS H 1.0 0.0 4.51 310 286 A 45 CYS HBy A 45 CYS H 1.0 0.0 3.01 311 287 A 77 HIS HBx A 77 HIS H 1.0 0.0 2.90 312 288 A 77 HIS H A 76 ASN HBx 1.0 0.0 4.48 313 289 A 77 HIS HBy A 77 HIS H 1.0 0.0 3.80 314 290 A 83 CYS HBy A 45 CYS H 1.0 0.0 4.00 315 291 A 45 CYS H A 44 ILE HB 1.0 0.0 3.35 316 292 A 45 CYS H A 44 ILE HG1x 1.0 0.0 4.75 317 293 A 45 CYS H A 44 ILE HG2% 1.0 0.0 3.95 318 294 A 74 VAL H A 75 CYS H 1.0 0.0 3.04 319 295 A 75 CYS H A 76 ASN H 1.0 0.0 3.08 320 296 A 77 HIS H A 75 CYS H 1.0 0.0 3.93 321 297 A 68 CYS H A 69 THR H 1.0 0.0 4.05 322 298 A 69 THR H A 68 CYS HBx 1.0 0.0 3.83 323 299 A 75 CYS H A 75 CYS HBx 1.0 0.0 3.50 324 300 A 73 GLY HAy A 75 CYS H 1.0 0.0 3.68 325 301 A 75 CYS HBy A 75 CYS H 1.0 0.0 3.72 326 302 A 69 THR H A 68 CYS HBy 1.0 0.0 3.99 327 303 A 74 VAL HB A 75 CYS H 1.0 0.0 3.70 328 304 A 75 CYS H A 74 VAL HGx% 1.0 0.0 3.64 329 304 A 74 VAL HG21 A 75 CYS H 1.0 0.0 3.64 330 305 A 88 LEU H A 89 LYS H 1.0 0.0 3.11 331 306 A 89 LYS H A 90 THR H 1.0 0.0 2.86 332 307 A 89 LYS H A 88 LEU HA 1.0 0.0 3.45 333 308 A 89 LYS H A 89 LYS HBx 1.0 0.0 2.56 334 308 A 89 LYS H A 89 LYS HBy 1.0 0.0 2.56 335 309 A 82 HIS H A 83 CYS H 1.0 0.0 3.30 336 310 A 80 HIS H A 83 CYS H 1.0 0.0 4.14 337 311 A 84 ILE H A 83 CYS H 1.0 0.0 2.99 338 312 A 85 SER H A 83 CYS H 1.0 0.0 4.06 339 313 A 83 CYS H A 82 HIS HD2 1.0 0.0 4.52 340 314 A 80 HIS HA A 83 CYS H 1.0 0.0 4.40 341 315 A 83 CYS H A 80 HIS HBx 1.0 0.0 2.91 342 316 A 83 CYS H A 80 HIS HBy 1.0 0.0 3.52 343 317 A 83 CYS H A 82 HIS HBx 1.0 0.0 3.81 344 318 A 83 CYS H A 82 HIS HBy 1.0 0.0 4.27 345 319 A 83 CYS HBx A 83 CYS H 1.0 0.0 3.01 346 320 A 83 CYS HBy A 83 CYS H 1.0 0.0 3.67 347 321 A 84 ILE HG2% A 83 CYS H 1.0 0.0 3.94 348 322 A 53 CYS HA A 54 ILE H 1.0 0.0 3.10 349 323 A 45 CYS HBx A 54 ILE H 1.0 0.0 3.38 350 324 A 53 CYS HBx A 54 ILE H 1.0 0.0 3.57 351 325 A 53 CYS HBy A 54 ILE H 1.0 0.0 3.60 352 326 A 54 ILE HB A 54 ILE H 1.0 0.0 3.59 353 327 A 54 ILE HG1x A 54 ILE H 1.0 0.0 3.39 354 328 A 54 ILE HG1y A 54 ILE H 1.0 0.0 3.66 355 329 A 54 ILE HG2% A 54 ILE H 1.0 0.0 3.08 356 330 A 54 ILE H A 54 ILE HD1% 1.0 0.0 3.42 357 331 A 98 ASN H A 96 LEU H 1.0 0.0 3.30 358 332 A 98 ASN H A 98 ASN HA 1.0 0.0 2.77 359 333 A 94 CYS HBx A 98 ASN H 1.0 0.0 3.83 360 334 A 98 ASN H A 97 ASP HBx 1.0 0.0 3.67 361 335 A 98 ASN H A 98 ASN HBx 1.0 0.0 4.02 362 336 A 98 ASN H A 97 ASP HBy 1.0 0.0 3.87 363 337 A 93 VAL HB A 98 ASN H 1.0 0.0 4.13 364 338 A 93 VAL HGy% A 98 ASN H 1.0 0.0 4.82 365 339 A 43 ALA H A 44 ILE H 1.0 0.0 3.45 366 340 A 46 ARG H A 44 ILE H 1.0 0.0 3.64 367 341 A 79 PHE HDy A 44 ILE H 1.0 0.0 3.63 368 342 A 42 CYS HA A 44 ILE H 1.0 0.0 3.99 369 343 A 40 ASP HA A 41 ASN H 1.0 0.0 3.55 370 344 A 76 ASN H A 76 ASN HA 1.0 0.0 2.62 371 345 A 76 ASN H A 75 CYS HA 1.0 0.0 3.53 372 346 A 76 ASN H A 74 VAL HA 1.0 0.0 3.84 373 347 A 83 CYS HBy A 44 ILE H 1.0 0.0 4.80 374 348 A 77 HIS HBx A 76 ASN H 1.0 0.0 4.34 375 349 A 76 ASN H A 76 ASN HBy 1.0 0.0 3.53 376 350 A 41 ASN H A 40 ASP HBx 1.0 0.0 5.33 377 350 A 40 ASP HBy A 41 ASN H 1.0 0.0 5.33 378 351 A 41 ASN HBx A 41 ASN H 1.0 0.0 3.79 379 352 A 44 ILE HB A 44 ILE H 1.0 0.0 3.25 380 353 A 43 ALA HB% A 44 ILE H 1.0 0.0 3.69 381 354 A 44 ILE HG1x A 44 ILE H 1.0 0.0 3.23 382 355 A 44 ILE HG2% A 44 ILE H 1.0 0.0 3.86 383 356 A 76 ASN H A 74 VAL HGx% 1.0 0.0 4.25 384 356 A 74 VAL HG21 A 76 ASN H 1.0 0.0 4.25 385 357 A 44 ILE H A 44 ILE HG1y 1.0 0.0 3.56 386 358 A 44 ILE HD1% A 44 ILE H 1.0 0.0 3.96 387 359 A 59 ASN H A 59 ASN HBx 1.0 0.0 3.48 388 360 A 59 ASN H A 59 ASN HBy 1.0 0.0 3.26 389 361 A 58 ALA HB% A 59 ASN H 1.0 0.0 3.57 390 362 A 97 ASP H A 96 LEU H 1.0 0.0 2.91 391 363 A 97 ASP H A 98 ASN H 1.0 0.0 2.85 392 364 A 97 ASP H A 98 ASN HA 1.0 0.0 4.72 393 365 A 97 ASP H A 94 CYS HBx 1.0 0.0 3.71 394 366 A 97 ASP H A 97 ASP HBx 1.0 0.0 3.74 395 367 A 97 ASP H A 97 ASP HBy 1.0 0.0 3.64 396 368 A 97 ASP H A 96 LEU HG 1.0 0.0 4.00 397 369 A 97 ASP H A 96 LEU HBx 1.0 0.0 3.52 398 370 A 71 ALA H A 79 PHE H 1.0 0.0 3.46 399 371 A 79 PHE H A 79 PHE HDx 1.0 0.0 4.11 400 372 A 79 PHE H A 72 TRP HA 1.0 0.0 3.75 401 373 A 79 PHE H A 78 ALA HA 1.0 0.0 2.83 402 374 A 79 PHE HBx A 79 PHE H 1.0 0.0 3.95 403 375 A 79 PHE HBy A 79 PHE H 1.0 0.0 3.86 404 376 A 71 ALA HB% A 79 PHE H 1.0 0.0 4.44 405 377 A 70 VAL HGy% A 79 PHE H 1.0 0.0 3.92 406 378 A 78 ALA HB% A 79 PHE H 1.0 0.0 3.37 407 379 A 59 ASN HA A 59 ASN HD2y 1.0 0.0 3.74 408 380 A 59 ASN HBx A 59 ASN HD2y 1.0 0.0 3.91 409 381 A 59 ASN HBy A 59 ASN HD2y 1.0 0.0 3.50 410 382 A 59 ASN HA A 59 ASN HD2x 1.0 0.0 4.16 411 383 A 59 ASN HBx A 59 ASN HD2x 1.0 0.0 3.98 412 384 A 59 ASN HBy A 59 ASN HD2x 1.0 0.0 4.14 413 385 A 64 THR H A 64 THR HB 1.0 0.0 3.50 414 386 A 74 VAL H A 73 GLY H 1.0 0.0 4.77 415 387 A 73 GLY H A 101 TRP HH2 1.0 0.0 3.52 416 388 A 73 GLY H A 72 TRP HA 1.0 0.0 2.74 417 389 A 73 GLY H A 78 ALA HA 1.0 0.0 3.95 418 390 A 72 TRP HBx A 73 GLY H 1.0 0.0 3.45 419 391 A 87 TRP HE1 A 93 VAL H 1.0 0.0 3.91 420 392 A 93 VAL H A 92 GLN H 1.0 0.0 3.90 421 393 A 93 VAL H A 92 GLN HA 1.0 0.0 3.31 422 394 A 93 VAL H A 91 ARG HA 1.0 0.0 3.94 423 395 A 93 VAL H A 91 ARG HDy 1.0 0.0 4.82 424 396 A 93 VAL H A 92 GLN HBx 1.0 0.0 5.24 425 397 A 93 VAL HB A 93 VAL H 1.0 0.0 4.08 426 398 A 91 ARG HBx A 93 VAL H 1.0 0.0 3.49 427 399 A 93 VAL HGy% A 93 VAL H 1.0 0.0 3.21 428 400 A 91 ARG HBy A 93 VAL H 1.0 0.0 3.61 429 401 A 93 VAL HGx% A 93 VAL H 1.0 0.0 3.67 430 402 A 88 LEU HA A 90 THR H 1.0 0.0 4.02 431 403 A 90 THR HB A 90 THR H 1.0 0.0 3.89 432 404 A 90 THR H A 89 LYS HBx 1.0 0.0 3.76 433 404 A 90 THR H A 89 LYS HBy 1.0 0.0 3.76 434 405 A 90 THR HG2% A 90 THR H 1.0 0.0 3.90 435 406 A 84 ILE H A 44 ILE HB 1.0 0.0 4.93 436 407 A 84 ILE H A 84 ILE HG1x 1.0 0.0 4.79 437 408 A 80 HIS HA A 84 ILE H 1.0 0.0 4.75 438 409 A 84 ILE H A 84 ILE HG1y 1.0 0.0 4.81 439 410 A 86 ARG H A 84 ILE H 1.0 0.0 4.61 440 411 A 106 TYR H A 106 TYR HBy 1.0 0.0 4.12 441 412 A 106 TYR H A 105 LYS HGy 1.0 0.0 4.93 442 413 A 106 TYR H A 105 LYS HBy 1.0 0.0 4.50 443 414 A 106 TYR H A 105 LYS HBx 1.0 0.0 4.71 444 415 A 104 GLN H A 103 PHE HDy 1.0 0.0 4.24 445 416 A 104 GLN H A 101 TRP HH2 1.0 0.0 5.14 446 417 A 104 GLN H A 72 TRP HA 1.0 0.0 5.50 447 418 A 104 GLN H A 74 VAL HA 1.0 0.0 5.50 448 419 A 102 GLU H A 103 PHE H 1.0 0.0 4.34 449 420 A 103 PHE H A 74 VAL HGx% 1.0 0.0 4.50 450 420 A 74 VAL HG21 A 103 PHE H 1.0 0.0 4.50 451 421 A 102 GLU H A 101 TRP H 1.0 0.0 4.70 452 422 A 102 GLU H A 73 GLY HAy 1.0 0.0 5.04 453 423 A 102 GLU H A 102 GLU HGx 1.0 0.0 4.19 454 423 A 102 GLU H A 102 GLU HGy 1.0 0.0 4.19 455 424 A 102 GLU H A 74 VAL HB 1.0 0.0 5.15 456 425 A 101 TRP H A 93 VAL H 1.0 0.0 5.07 457 426 A 104 GLN H A 103 PHE H 1.0 0.0 4.72 458 427 A 101 TRP H A 100 GLU H 1.0 0.0 4.57 459 428 A 93 VAL HA A 100 GLU H 1.0 0.0 4.67 460 429 A 93 VAL HGx% A 100 GLU H 1.0 0.0 4.04 461 430 A 93 VAL HA A 99 ARG H 1.0 0.0 4.39 462 431 A 93 VAL HGy% A 99 ARG H 1.0 0.0 4.71 463 432 A 94 CYS H A 98 ASN H 1.0 0.0 4.14 464 433 A 94 CYS HBy A 98 ASN H 1.0 0.0 4.22 465 434 A 98 ASN H A 99 ARG HGx 1.0 0.0 5.31 466 434 A 99 ARG HGy A 98 ASN H 1.0 0.0 5.31 467 435 A 98 ASN H A 96 LEU HBx 1.0 0.0 5.00 468 436 A 93 VAL HGx% A 98 ASN H 1.0 0.0 5.50 469 437 A 97 ASP H A 99 ARG HBx 1.0 0.0 5.50 470 438 A 97 ASP H A 99 ARG HGx 1.0 0.0 5.50 471 438 A 97 ASP H A 99 ARG HGy 1.0 0.0 5.50 472 439 A 97 ASP H A 96 LEU HDy% 1.0 0.0 5.49 473 440 A 97 ASP H A 96 LEU HDx% 1.0 0.0 5.50 474 441 A 97 ASP H A 95 PRO HGy 1.0 0.0 5.23 475 441 A 97 ASP H A 95 PRO HGx 1.0 0.0 5.23 476 442 A 94 CYS H A 99 ARG H 1.0 0.0 3.36 477 443 A 96 LEU H A 95 PRO HGy 1.0 0.0 4.64 478 443 A 96 LEU H A 95 PRO HGx 1.0 0.0 4.64 479 444 A 95 PRO HDy A 96 LEU H 1.0 0.0 4.83 480 445 A 94 CYS H A 97 ASP HBx 1.0 0.0 4.72 481 446 A 101 TRP HBy A 94 CYS H 1.0 0.0 4.16 482 447 A 94 CYS H A 93 VAL H 1.0 0.0 4.43 483 448 A 91 ARG H A 93 VAL H 1.0 0.0 5.37 484 449 A 100 GLU HA A 93 VAL H 1.0 0.0 5.10 485 450 A 101 TRP HBx A 93 VAL H 1.0 0.0 5.29 486 451 A 93 VAL H A 91 ARG HDx 1.0 0.0 5.50 487 452 A 93 VAL H A 92 GLN HBy 1.0 0.0 4.05 488 453 A 92 GLN H A 92 GLN HGy 1.0 0.0 5.07 489 454 A 91 ARG HBx A 92 GLN H 1.0 0.0 4.87 490 455 A 91 ARG HBy A 92 GLN H 1.0 0.0 4.98 491 456 A 93 VAL HGx% A 92 GLN H 1.0 0.0 4.95 492 457 A 91 ARG H A 92 GLN H 1.0 0.0 4.60 493 458 A 88 LEU H A 91 ARG H 1.0 0.0 4.52 494 459 A 91 ARG H A 91 ARG HDy 1.0 0.0 5.50 495 460 A 91 ARG H A 92 GLN HGy 1.0 0.0 5.50 496 461 A 91 ARG H A 89 LYS HBx 1.0 0.0 4.74 497 461 A 91 ARG H A 89 LYS HBy 1.0 0.0 4.74 498 462 A 91 ARG H A 88 LEU HBx 1.0 0.0 5.50 499 463 A 91 ARG H A 88 LEU HG 1.0 0.0 5.50 500 464 A 91 ARG H A 88 LEU HBy 1.0 0.0 5.26 501 465 A 90 THR H A 88 LEU HBx 1.0 0.0 5.50 502 466 A 90 THR H A 89 LYS HGx 1.0 0.0 5.50 503 467 A 90 THR H A 88 LEU HBy 1.0 0.0 5.50 504 468 A 90 THR H A 89 LYS HGy 1.0 0.0 5.50 505 469 A 87 TRP H A 89 LYS H 1.0 0.0 4.12 506 470 A 89 LYS H A 90 THR HA 1.0 0.0 5.11 507 471 A 89 LYS H A 87 TRP HBx 1.0 0.0 4.97 508 471 A 89 LYS H A 87 TRP HBy 1.0 0.0 4.97 509 472 A 89 LYS H A 90 THR HG2% 1.0 0.0 4.39 510 473 A 88 LEU HDy% A 89 LYS H 1.0 0.0 5.43 511 474 A 89 LYS H A 88 LEU HDx% 1.0 0.0 5.17 512 475 A 88 LEU H A 90 THR H 1.0 0.0 4.67 513 476 A 88 LEU H A 87 TRP HD1 1.0 0.0 4.34 514 477 A 88 LEU H A 86 ARG H 1.0 0.0 4.70 515 478 A 88 LEU H A 84 ILE HA 1.0 0.0 4.12 516 479 A 88 LEU H A 88 LEU HBx 1.0 0.0 3.55 517 480 A 88 LEU H A 88 LEU HG 1.0 0.0 3.14 518 481 A 88 LEU H A 84 ILE HG2% 1.0 0.0 5.35 519 482 A 88 LEU H A 90 THR HG2% 1.0 0.0 5.50 520 483 A 88 LEU H A 84 ILE HD1% 1.0 0.0 4.38 521 484 A 88 LEU H A 44 ILE HD1% 1.0 0.0 5.23 522 485 A 87 TRP H A 90 THR H 1.0 0.0 5.26 523 486 A 87 TRP H A 87 TRP HD1 1.0 0.0 4.75 524 487 A 87 TRP H A 88 LEU HA 1.0 0.0 5.50 525 488 A 87 TRP H A 84 ILE HG2% 1.0 0.0 5.11 526 489 A 87 TRP H A 90 THR HG2% 1.0 0.0 5.50 527 490 A 88 LEU HDy% A 87 TRP H 1.0 0.0 5.50 528 491 A 87 TRP H A 88 LEU HDx% 1.0 0.0 4.93 529 492 A 86 ARG H A 84 ILE HG2% 1.0 0.0 4.52 530 493 A 86 ARG H A 88 LEU HDx% 1.0 0.0 5.50 531 494 A 85 SER H A 83 CYS HBx 1.0 0.0 4.95 532 495 A 85 SER H A 83 CYS HBy 1.0 0.0 5.50 533 496 A 85 SER H A 86 ARG HBx 1.0 0.0 5.02 534 497 A 85 SER H A 86 ARG HGy 1.0 0.0 5.50 535 497 A 85 SER H A 86 ARG HGx 1.0 0.0 5.50 536 498 A 85 SER H A 88 LEU HG 1.0 0.0 5.50 537 499 A 85 SER H A 88 LEU HDx% 1.0 0.0 4.56 538 500 A 85 SER H A 84 ILE HG1x 1.0 0.0 4.89 539 501 A 85 SER H A 44 ILE HD1% 1.0 0.0 5.40 540 502 A 85 SER H A 84 ILE HG1y 1.0 0.0 5.31 541 503 A 85 SER H A 84 ILE HD1% 1.0 0.0 4.76 542 504 A 86 ARG H A 83 CYS H 1.0 0.0 4.99 543 505 A 79 PHE HBy A 83 CYS H 1.0 0.0 5.50 544 506 A 86 ARG HBx A 83 CYS H 1.0 0.0 5.50 545 507 A 44 ILE HB A 83 CYS H 1.0 0.0 5.01 546 508 A 44 ILE HD1% A 83 CYS H 1.0 0.0 4.75 547 509 A 81 PHE H A 83 CYS H 1.0 0.0 4.63 548 510 A 82 HIS H A 84 ILE H 1.0 0.0 4.93 549 511 A 82 HIS H A 82 HIS HD2 1.0 0.0 5.07 550 512 A 82 HIS H A 81 PHE HDy 1.0 0.0 4.47 551 513 A 82 HIS H A 71 ALA HB% 1.0 0.0 5.12 552 514 A 82 HIS H A 84 ILE HG2% 1.0 0.0 4.94 553 515 A 81 PHE H A 80 HIS H 1.0 0.0 4.58 554 516 A 81 PHE H A 69 THR H 1.0 0.0 5.33 555 517 A 81 PHE H A 80 HIS HD2 1.0 0.0 4.43 556 518 A 81 PHE H A 81 PHE HDx 1.0 0.0 5.19 557 519 A 81 PHE H A 81 PHE HDy 1.0 0.0 5.50 558 520 A 81 PHE H A 84 ILE HG2% 1.0 0.0 3.93 559 521 A 81 PHE H A 70 VAL HGx% 1.0 0.0 4.34 560 522 A 81 PHE H A 70 VAL HGy% 1.0 0.0 5.04 561 523 A 71 ALA H A 80 HIS H 1.0 0.0 4.99 562 524 A 79 PHE HDy A 80 HIS H 1.0 0.0 4.35 563 525 A 80 HIS H A 83 CYS HBy 1.0 0.0 5.16 564 526 A 80 HIS H A 84 ILE HB 1.0 0.0 4.51 565 527 A 80 HIS H A 79 PHE HBy 1.0 0.0 3.73 566 528 A 82 HIS H A 80 HIS H 1.0 0.0 5.33 567 529 A 79 PHE H A 101 TRP HH2 1.0 0.0 4.14 568 530 A 70 VAL HA A 79 PHE H 1.0 0.0 4.96 569 531 A 39 VAL HGx% A 79 PHE H 1.0 0.0 5.32 570 532 A 78 ALA H A 96 LEU HDx% 1.0 0.0 4.41 571 533 A 78 ALA H A 72 TRP HA 1.0 0.0 5.20 572 534 A 78 ALA H A 79 PHE H 1.0 0.0 4.27 573 535 A 74 VAL H A 77 HIS H 1.0 0.0 5.16 574 536 A 77 HIS HD2 A 77 HIS H 1.0 0.0 5.27 575 537 A 77 HIS H A 101 TRP HH2 1.0 0.0 5.50 576 538 A 77 HIS H A 72 TRP HA 1.0 0.0 5.30 577 539 A 77 HIS H A 74 VAL HGx% 1.0 0.0 5.41 578 539 A 74 VAL HG21 A 77 HIS H 1.0 0.0 5.41 579 540 A 78 ALA HB% A 77 HIS H 1.0 0.0 5.24 580 541 A 74 VAL HB A 76 ASN H 1.0 0.0 4.90 581 542 A 75 CYS HBy A 76 ASN H 1.0 0.0 4.53 582 543 A 77 HIS HA A 76 ASN H 1.0 0.0 5.04 583 544 A 102 GLU H A 75 CYS H 1.0 0.0 4.55 584 545 A 73 GLY H A 75 CYS H 1.0 0.0 4.82 585 546 A 101 TRP HA A 75 CYS H 1.0 0.0 5.18 586 547 A 104 GLN HBx A 75 CYS H 1.0 0.0 4.79 587 548 A 75 CYS H A 102 GLU HBx 1.0 0.0 4.40 588 548 A 102 GLU HBy A 75 CYS H 1.0 0.0 4.40 589 549 A 74 VAL H A 103 PHE H 1.0 0.0 5.00 590 550 A 73 GLY H A 76 ASN H 1.0 0.0 4.74 591 551 A 73 GLY H A 101 TRP HZ2 1.0 0.0 4.88 592 552 A 73 GLY H A 79 PHE HEx 1.0 0.0 5.50 593 553 A 104 GLN HBx A 73 GLY H 1.0 0.0 4.38 594 554 A 73 GLY H A 74 VAL HGx% 1.0 0.0 5.30 595 554 A 74 VAL HG21 A 73 GLY H 1.0 0.0 5.30 596 555 A 78 ALA HB% A 73 GLY H 1.0 0.0 4.66 597 556 A 72 TRP H A 72 TRP HE3 1.0 0.0 4.07 598 557 A 72 TRP H A 106 TYR HA 1.0 0.0 4.53 599 558 A 87 TRP H A 44 ILE HG2% 1.0 0.0 4.12 600 559 A 70 VAL HGy% A 72 TRP H 1.0 0.0 4.89 601 560 A 71 ALA H A 70 VAL H 1.0 0.0 4.45 602 561 A 71 ALA H A 81 PHE HDx 1.0 0.0 5.50 603 562 A 71 ALA H A 78 ALA HA 1.0 0.0 5.15 604 563 A 81 PHE HBx A 71 ALA H 1.0 0.0 4.74 605 564 A 81 PHE HBy A 71 ALA H 1.0 0.0 4.61 606 565 A 82 HIS H A 69 THR H 1.0 0.0 4.84 607 566 A 70 VAL H A 69 THR H 1.0 0.0 4.31 608 567 A 70 VAL HGx% A 69 THR H 1.0 0.0 5.15 609 568 A 67 GLU H A 68 CYS HBy 1.0 0.0 5.36 610 568 A 67 GLU H A 68 CYS HBx 1.0 0.0 5.36 611 569 A 66 GLU H A 65 SER HBx 1.0 0.0 4.09 612 570 A 64 THR H A 64 THR HG2% 1.0 0.0 4.86 613 571 A 61 ALA HB% A 62 SER H 1.0 0.0 4.94 614 572 A 57 GLN HA A 60 GLN H 1.0 0.0 5.18 615 573 A 59 ASN HBx A 60 GLN H 1.0 0.0 4.94 616 574 A 59 ASN HBy A 60 GLN H 1.0 0.0 5.15 617 575 A 60 GLN H A 60 GLN HBy 1.0 0.0 4.14 618 576 A 58 ALA HB% A 60 GLN H 1.0 0.0 5.50 619 577 A 61 ALA HB% A 60 GLN H 1.0 0.0 5.50 620 578 A 59 ASN H A 60 GLN H 1.0 0.0 4.19 621 579 A 56 CYS H A 59 ASN H 1.0 0.0 4.86 622 580 A 59 ASN H A 56 CYS HA 1.0 0.0 4.00 623 581 A 52 LEU HDy% A 58 ALA H 1.0 0.0 5.19 624 582 A 52 LEU HDx% A 58 ALA H 1.0 0.0 5.40 625 583 A 58 ALA H A 59 ASN HBx 1.0 0.0 4.66 626 584 A 58 ALA H A 60 GLN H 1.0 0.0 4.57 627 585 A 57 GLN H A 52 LEU HA 1.0 0.0 4.67 628 586 A 56 CYS H A 55 GLU HGx 1.0 0.0 4.92 629 587 A 56 CYS H A 57 GLN HGy 1.0 0.0 5.13 630 588 A 56 CYS H A 54 ILE HD1% 1.0 0.0 4.45 631 589 A 56 CYS H A 53 CYS H 1.0 0.0 4.70 632 590 A 54 ILE H A 56 CYS HBy 1.0 0.0 4.37 633 590 A 56 CYS HBx A 54 ILE H 1.0 0.0 4.37 634 591 A 56 CYS H A 54 ILE H 1.0 0.0 4.21 635 592 A 53 CYS H A 54 ILE H 1.0 0.0 4.47 636 593 A 53 CYS H A 52 LEU H 1.0 0.0 4.79 637 594 A 52 LEU H A 53 CYS HA 1.0 0.0 5.50 638 595 A 52 LEU H A 65 SER HBy 1.0 0.0 5.50 639 596 A 49 ILE HG2% A 51 ASP H 1.0 0.0 5.01 640 597 A 70 VAL HGx% A 51 ASP H 1.0 0.0 5.50 641 598 A 49 ILE H A 40 ASP HBx 1.0 0.0 4.62 642 598 A 49 ILE H A 40 ASP HBy 1.0 0.0 4.62 643 599 A 49 ILE H A 41 ASN HBx 1.0 0.0 5.44 644 600 A 49 ILE H A 41 ASN HBy 1.0 0.0 5.27 645 601 A 51 ASP H A 49 ILE HD1% 1.0 0.0 5.50 646 602 A 49 ILE H A 49 ILE HD1% 1.0 0.0 4.40 647 603 A 49 ILE H A 51 ASP HBx 1.0 0.0 5.50 648 603 A 49 ILE H A 51 ASP HBy 1.0 0.0 5.50 649 604 A 48 HIS H A 80 HIS HE1 1.0 0.0 5.17 650 605 A 48 HIS H A 48 HIS HD2 1.0 0.0 5.17 651 606 A 49 ILE H A 48 HIS HD2 1.0 0.0 4.81 652 607 A 48 HIS H A 47 ASN H 1.0 0.0 4.74 653 608 A 47 ASN H A 45 CYS H 1.0 0.0 4.19 654 609 A 47 ASN H A 80 HIS HE1 1.0 0.0 5.10 655 610 A 47 ASN H A 46 ARG HBx 1.0 0.0 4.37 656 611 A 47 ASN H A 46 ARG HGx 1.0 0.0 5.50 657 612 A 47 ASN H A 46 ARG HGy 1.0 0.0 5.50 658 613 A 54 ILE HG2% A 47 ASN H 1.0 0.0 5.20 659 614 A 43 ALA H A 46 ARG H 1.0 0.0 5.08 660 615 A 42 CYS HBx A 46 ARG H 1.0 0.0 4.82 661 616 A 46 ARG H A 44 ILE HG2% 1.0 0.0 5.23 662 617 A 43 ALA HA A 45 CYS H 1.0 0.0 4.79 663 618 A 46 ARG HBx A 45 CYS H 1.0 0.0 4.90 664 619 A 42 CYS HBy A 45 CYS H 1.0 0.0 4.58 665 620 A 45 CYS H A 44 ILE HG1y 1.0 0.0 4.75 666 621 A 44 ILE HD1% A 45 CYS H 1.0 0.0 4.78 667 622 A 83 CYS HBx A 45 CYS H 1.0 0.0 4.35 668 623 A 83 CYS HBx A 44 ILE H 1.0 0.0 4.44 669 624 A 45 CYS HBy A 44 ILE H 1.0 0.0 5.50 670 625 A 42 CYS HBx A 44 ILE H 1.0 0.0 4.83 671 626 A 42 CYS HA A 45 CYS H 1.0 0.0 4.80 672 627 A 42 CYS HBy A 44 ILE H 1.0 0.0 4.60 673 628 A 43 ALA H A 42 CYS HBx 1.0 0.0 4.31 674 629 A 43 ALA H A 44 ILE HG2% 1.0 0.0 5.50 675 630 A 43 ALA H A 44 ILE HG1x 1.0 0.0 4.51 676 631 A 43 ALA H A 96 LEU HDx% 1.0 0.0 5.50 677 632 A 43 ALA H A 44 ILE HG1y 1.0 0.0 4.63 678 633 A 43 ALA H A 44 ILE HD1% 1.0 0.0 5.50 679 634 A 49 ILE HG2% A 42 CYS H 1.0 0.0 5.47 680 635 A 49 ILE HB A 42 CYS H 1.0 0.0 5.03 681 636 A 42 CYS H A 49 ILE HD1% 1.0 0.0 4.63 682 637 A 43 ALA H A 96 LEU HDy% 1.0 0.0 4.64 683 638 A 43 ALA H A 42 CYS H 1.0 0.0 4.66 684 639 A 38 VAL HB A 41 ASN H 1.0 0.0 4.53 685 640 A 41 ASN H A 41 ASN HBy 1.0 0.0 4.10 686 641 A 40 ASP H A 41 ASN H 1.0 0.0 4.16 687 642 A 39 VAL HB A 40 ASP H 1.0 0.0 4.43 688 643 A 38 VAL H A 37 ILE HG1x 1.0 0.0 4.83 689 644 A 38 VAL H A 38 VAL HB 1.0 0.0 3.16 690 645 A 99 ARG H A 97 ASP HA 1.0 0.0 5.05 691 646 A 99 ARG H A 97 ASP HBx 1.0 0.0 3.75 692 647 A 44 ILE H A 45 CYS HA 1.0 0.0 5.40 693 648 A 42 CYS HBx A 47 ASN H 1.0 0.0 3.82 694 649 A 87 TRP HE1 A 84 ILE HD1% 1.0 0.0 4.40 695 650 A 87 TRP HE1 A 95 PRO HGy 1.0 0.0 5.02 696 650 A 87 TRP HE1 A 95 PRO HGx 1.0 0.0 5.02 697 651 A 87 TRP HE1 A 91 ARG HBx 1.0 0.0 4.51 698 652 A 87 TRP HE1 A 88 LEU HG 1.0 0.0 4.96 699 653 A 87 TRP HE1 A 95 PRO HDx 1.0 0.0 4.41 700 654 A 70 VAL HGx% A 72 TRP HE1 1.0 0.0 4.45 701 655 A 72 TRP HBy A 72 TRP HE1 1.0 0.0 5.18 702 656 A 74 VAL H A 104 GLN HBy 1.0 0.0 4.56 703 657 A 71 ALA H A 84 ILE HG2% 1.0 0.0 4.13 704 658 A 71 ALA H A 49 ILE HD1% 1.0 0.0 5.49 705 659 A 71 ALA H A 78 ALA HB% 1.0 0.0 5.37 706 660 A 108 HIS H A 107 GLY H 1.0 0.0 4.67 707 661 A 87 TRP HE1 A 94 CYS H 1.0 0.0 5.09 708 662 A 81 PHE H A 84 ILE H 1.0 0.0 5.38 709 663 A 82 HIS H A 85 SER H 1.0 0.0 5.12 710 664 A 44 ILE HD1% A 80 HIS H 1.0 0.0 4.86 711 665 A 56 CYS H A 53 CYS HBx 1.0 0.0 4.46 712 666 A 43 ALA H A 79 PHE HEy 1.0 0.0 4.20 713 667 A 43 ALA H A 45 CYS H 1.0 0.0 4.59 714 668 A 78 ALA H A 49 ILE HD1% 1.0 0.0 5.50 715 669 A 81 PHE H A 70 VAL H 1.0 0.0 5.01 716 670 A 87 TRP HE1 A 94 CYS HA 1.0 0.0 4.59 717 671 A 42 CYS H A 46 ARG HA 1.0 0.0 5.50 718 672 A 42 CYS H A 41 ASN H 1.0 0.0 5.09 719 673 A 42 CYS H A 47 ASN H 1.0 0.0 4.46 720 674 A 48 HIS H A 42 CYS H 1.0 0.0 5.10 721 675 A 42 CYS H A 48 HIS HD2 1.0 0.0 5.50 722 676 A 44 ILE H A 79 PHE HEy 1.0 0.0 5.09 723 677 A 46 ARG HA A 44 ILE H 1.0 0.0 5.18 724 678 A 44 ILE H A 80 HIS HBy 1.0 0.0 5.50 725 678 A 44 ILE H A 80 HIS HBx 1.0 0.0 5.50 726 679 A 47 ASN H A 44 ILE H 1.0 0.0 4.84 727 680 A 46 ARG H A 47 ASN HBy 1.0 0.0 5.50 728 681 A 47 ASN H A 53 CYS HA 1.0 0.0 4.99 729 682 A 42 CYS HA A 47 ASN H 1.0 0.0 5.32 730 683 A 51 ASP H A 52 LEU H 1.0 0.0 4.24 731 684 A 65 SER HA A 52 LEU H 1.0 0.0 5.50 732 685 A 57 GLN H A 54 ILE H 1.0 0.0 5.50 733 686 A 57 GLN H A 53 CYS HBx 1.0 0.0 5.11 734 687 A 59 ASN H A 57 GLN HGy 1.0 0.0 5.33 735 688 A 59 ASN H A 60 GLN HBx 1.0 0.0 5.50 736 689 A 55 GLU HBx A 59 ASN H 1.0 0.0 4.76 737 690 A 59 ASN H A 55 GLU HBy 1.0 0.0 5.24 738 691 A 59 ASN H A 59 ASN HD2y 1.0 0.0 4.92 739 691 A 59 ASN H A 59 ASN HD2x 1.0 0.0 4.92 740 692 A 66 GLU H A 64 THR HG2% 1.0 0.0 5.08 741 693 A 67 GLU H A 65 SER HBx 1.0 0.0 5.15 742 694 A 67 GLU H A 52 LEU HDy% 1.0 0.0 5.05 743 695 A 68 CYS H A 80 HIS HE1 1.0 0.0 5.37 744 696 A 69 THR H A 67 GLU HBy 1.0 0.0 4.76 745 696 A 69 THR H A 67 GLU HBx 1.0 0.0 4.76 746 697 A 70 VAL HB A 69 THR H 1.0 0.0 4.97 747 698 A 70 VAL H A 80 HIS HD2 1.0 0.0 5.20 748 699 A 72 TRP H A 104 GLN HGx 1.0 0.0 5.45 749 699 A 104 GLN HGy A 72 TRP H 1.0 0.0 5.45 750 700 A 104 GLN HBy A 72 TRP H 1.0 0.0 5.20 751 701 A 105 LYS H A 72 TRP H 1.0 0.0 5.50 752 702 A 72 TRP H A 103 PHE HDy 1.0 0.0 5.50 753 703 A 73 GLY H A 74 VAL HA 1.0 0.0 5.35 754 704 A 77 HIS HBy A 73 GLY H 1.0 0.0 5.00 755 705 A 73 GLY H A 104 GLN HGx 1.0 0.0 5.50 756 705 A 104 GLN HGy A 73 GLY H 1.0 0.0 5.50 757 706 A 74 VAL H A 101 TRP HZ2 1.0 0.0 5.50 758 707 A 78 ALA H A 72 TRP HE3 1.0 0.0 5.08 759 708 A 73 GLY HAy A 79 PHE H 1.0 0.0 5.50 760 709 A 84 ILE H A 88 LEU HDx% 1.0 0.0 5.50 761 710 A 86 ARG H A 82 HIS HA 1.0 0.0 4.73 762 711 A 86 ARG H A 44 ILE HG2% 1.0 0.0 5.03 763 712 A 86 ARG H A 84 ILE HA 1.0 0.0 4.88 764 713 A 87 TRP H A 85 SER HBx 1.0 0.0 5.50 765 714 A 93 VAL HGy% A 92 GLN H 1.0 0.0 5.09 766 715 A 94 CYS H A 99 ARG HGx 1.0 0.0 4.67 767 715 A 94 CYS H A 99 ARG HGy 1.0 0.0 4.67 768 716 A 95 PRO HDy A 94 CYS H 1.0 0.0 4.81 769 717 A 97 ASP H A 77 HIS HE1 1.0 0.0 4.95 770 718 A 103 PHE H A 101 TRP HZ2 1.0 0.0 5.50 771 719 A 103 PHE H A 88 LEU HDx% 1.0 0.0 5.50 772 720 A 104 GLN H A 101 TRP HZ2 1.0 0.0 5.04 773 721 A 58 ALA HB% A 59 ASN HD2y 1.0 0.0 4.89 774 722 A 59 ASN HD2y A 55 GLU HBy 1.0 0.0 5.04 775 723 A 59 ASN HD2y A 55 GLU HGy 1.0 0.0 5.49 776 723 A 59 ASN HD2y A 55 GLU HGx 1.0 0.0 5.49 777 724 A 59 ASN HD2y A 56 CYS HA 1.0 0.0 4.98 778 725 A 59 ASN HD2x A 55 GLU HBy 1.0 0.0 4.93 779 726 A 59 ASN HD2x A 56 CYS HA 1.0 0.0 4.77 780 727 A 77 HIS H A 76 ASN H 1.0 0.0 2.93 781 728 A 74 VAL H A 76 ASN H 1.0 0.0 4.40 782 729 A 87 TRP HE1 A 95 PRO HA 1.0 0.0 4.64 783 730 A 87 TRP HE1 A 101 TRP HE3 1.0 0.0 5.50 784 731 A 44 ILE HG2% A 83 CYS H 1.0 0.0 4.72 785 732 A 96 LEU H A 79 PHE HEx 1.0 0.0 5.20 786 733 A 105 LYS H A 104 GLN HA 1.0 0.0 3.60 787 734 A 105 LYS H A 105 LYS HBx 1.0 0.0 3.86 788 735 A 105 LYS H A 104 GLN HGx 1.0 0.0 3.57 789 735 A 105 LYS H A 104 GLN HGy 1.0 0.0 3.57 790 736 A 73 GLY HAx A 72 TRP H 1.0 0.0 5.34 791 737 A 73 GLY H A 79 PHE H 1.0 0.0 4.67 792 738 A 73 GLY H A 79 PHE HDx 1.0 0.0 4.81 793 739 A 48 HIS H A 47 ASN HBy 1.0 0.0 3.90 794 740 A 45 CYS H A 44 ILE H 1.0 0.0 2.86 795 741 A 56 CYS H A 54 ILE HG1x 1.0 0.0 3.86 796 742 A 88 LEU H A 84 ILE HG1x 1.0 0.0 5.50 797 743 A 65 SER HBx A 66 GLU HBy 1.0 0.0 4.52 798 743 A 66 GLU HBx A 65 SER HBx 1.0 0.0 4.52 799 744 A 54 ILE HA A 54 ILE HG1x 1.0 0.0 3.70 800 745 A 44 ILE HG2% A 44 ILE HA 1.0 0.0 2.91 801 746 A 54 ILE HA A 54 ILE HG2% 1.0 0.0 3.31 802 747 A 65 SER HA A 52 LEU HA 1.0 0.0 4.25 803 748 A 86 ARG HBx A 83 CYS HA 1.0 0.0 4.24 804 749 A 64 THR HA A 64 THR HG2% 1.0 0.0 3.43 805 750 A 89 LYS HGx A 86 ARG HA 1.0 0.0 5.50 806 751 A 70 VAL HA A 70 VAL HGy% 1.0 0.0 3.48 807 752 A 81 PHE HA A 84 ILE HG2% 1.0 0.0 3.10 808 753 A 37 ILE HA A 37 ILE HG2% 1.0 0.0 3.31 809 754 A 93 VAL HA A 100 GLU HA 1.0 0.0 3.26 810 755 A 95 PRO HDx A 94 CYS HA 1.0 0.0 3.47 811 756 A 47 ASN HBx A 53 CYS HA 1.0 0.0 3.63 812 757 A 95 PRO HDy A 94 CYS HA 1.0 0.0 3.58 813 758 A 92 GLN HA A 92 GLN HGx 1.0 0.0 3.96 814 759 A 92 GLN HA A 92 GLN HGy 1.0 0.0 3.94 815 760 A 99 ARG HA A 99 ARG HGx 1.0 0.0 3.41 816 760 A 99 ARG HA A 99 ARG HGy 1.0 0.0 3.41 817 761 A 89 LYS HGx A 89 LYS HA 1.0 0.0 3.63 818 762 A 89 LYS HGy A 89 LYS HA 1.0 0.0 3.54 819 763 A 93 VAL HA A 93 VAL HGx% 1.0 0.0 3.30 820 764 A 88 LEU HDy% A 92 GLN HA 1.0 0.0 3.76 821 765 A 52 LEU HDx% A 57 GLN HA 1.0 0.0 3.68 822 766 A 41 ASN HA A 48 HIS HA 1.0 0.0 3.20 823 767 A 93 VAL HB A 98 ASN HA 1.0 0.0 3.30 824 768 A 91 ARG HGx A 91 ARG HA 1.0 0.0 3.70 825 769 A 93 VAL HGy% A 98 ASN HA 1.0 0.0 3.28 826 770 A 55 GLU HBy A 55 GLU HGy 1.0 0.0 3.02 827 771 A 99 ARG HBx A 99 ARG HGx 1.0 0.0 2.84 828 771 A 99 ARG HGy A 99 ARG HBx 1.0 0.0 2.84 829 772 A 105 LYS HGx A 105 LYS HDx 1.0 0.0 2.98 830 772 A 105 LYS HGx A 105 LYS HDy 1.0 0.0 2.98 831 773 A 71 ALA HB% A 103 PHE HEy 1.0 0.0 3.48 832 774 A 71 ALA HB% A 81 PHE HDx 1.0 0.0 3.53 833 775 A 71 ALA HB% A 81 PHE HA 1.0 0.0 3.26 834 776 A 52 LEU HDx% A 65 SER HBy 1.0 0.0 4.24 835 777 A 81 PHE HBx A 71 ALA HB% 1.0 0.0 3.64 836 778 A 89 LYS HGx A 89 LYS HBx 1.0 0.0 2.92 837 778 A 89 LYS HBy A 89 LYS HGx 1.0 0.0 2.92 838 779 A 52 LEU HBx A 52 LEU HDx% 1.0 0.0 3.48 839 780 A 52 LEU HBy A 52 LEU HDx% 1.0 0.0 3.41 840 781 A 88 LEU HDx% A 88 LEU HBx 1.0 0.0 3.38 841 782 A 96 LEU HBx A 96 LEU HDx% 1.0 0.0 3.31 842 783 A 84 ILE HG2% A 79 PHE H 1.0 0.0 4.55 843 784 A 69 THR HA A 69 THR HG2% 1.0 0.0 3.26 844 785 A 52 LEU HDy% A 52 LEU HA 1.0 0.0 2.91 845 786 A 70 VAL HA A 70 VAL HGx% 1.0 0.0 3.25 846 787 A 88 LEU HDy% A 88 LEU HA 1.0 0.0 3.13 847 788 A 90 THR HG2% A 90 THR HA 1.0 0.0 3.38 848 789 A 104 GLN HA A 74 VAL HGx% 1.0 0.0 3.35 849 789 A 74 VAL HG21 A 104 GLN HA 1.0 0.0 3.35 850 790 A 39 VAL HA A 39 VAL HGx% 1.0 0.0 3.27 851 791 A 39 VAL HGy% A 39 VAL HA 1.0 0.0 3.48 852 792 A 100 GLU HA A 93 VAL HGx% 1.0 0.0 3.64 853 793 A 96 LEU HDy% A 96 LEU HA 1.0 0.0 3.15 854 794 A 52 LEU HDy% A 68 CYS HBy 1.0 0.0 4.01 855 795 A 52 LEU HDy% A 56 CYS HBx 1.0 0.0 3.35 856 796 A 71 ALA HB% A 84 ILE HG2% 1.0 0.0 3.28 857 797 A 52 LEU HDy% A 52 LEU HBy 1.0 0.0 3.25 858 798 A 88 LEU HDy% A 88 LEU HBy 1.0 0.0 3.66 859 799 A 74 VAL HG21 A 102 GLU HBx 1.0 0.0 2.90 860 799 A 74 VAL HGx% A 102 GLU HBx 1.0 0.0 2.90 861 799 A 102 GLU HBy A 74 VAL HGx% 1.0 0.0 2.90 862 799 A 102 GLU HBy A 74 VAL HG21 1.0 0.0 2.90 863 800 A 104 GLN HBy A 74 VAL HGx% 1.0 0.0 3.50 864 800 A 104 GLN HBy A 74 VAL HG21 1.0 0.0 3.50 865 801 A 43 ALA HB% A 96 LEU HDy% 1.0 0.0 3.28 866 802 A 96 LEU HDy% A 96 LEU HBy 1.0 0.0 3.27 867 803 A 39 VAL HGx% A 78 ALA HB% 1.0 0.0 3.54 868 804 A 70 VAL HGy% A 78 ALA HB% 1.0 0.0 3.70 869 805 A 84 ILE HG2% A 84 ILE HG1x 1.0 0.0 3.54 870 806 A 84 ILE HG2% A 84 ILE HG1y 1.0 0.0 3.42 871 807 A 70 VAL HGx% A 49 ILE HD1% 1.0 0.0 4.60 872 808 A 78 ALA HB% A 49 ILE HD1% 1.0 0.0 3.59 873 809 A 84 ILE HD1% A 84 ILE HG2% 1.0 0.0 3.62 874 810 A 54 ILE HG2% A 45 CYS HBx 1.0 0.0 3.08 875 811 A 49 ILE HG2% A 40 ASP HBx 1.0 0.0 4.04 876 811 A 49 ILE HG2% A 40 ASP HBy 1.0 0.0 4.04 877 812 A 58 ALA HB% A 55 GLU HBy 1.0 0.0 3.69 878 812 A 55 GLU HBx A 58 ALA HB% 1.0 0.0 3.69 879 813 A 54 ILE HG1x A 54 ILE HG2% 1.0 0.0 3.47 880 814 A 54 ILE HG1y A 54 ILE HG2% 1.0 0.0 3.10 881 815 A 93 VAL HGy% A 91 ARG HBx 1.0 0.0 4.01 882 816 A 49 ILE HG2% A 49 ILE HG1x 1.0 0.0 3.62 883 817 A 43 ALA HB% A 96 LEU HDx% 1.0 0.0 4.15 884 818 A 49 ILE HG2% A 49 ILE HG1y 1.0 0.0 3.25 885 819 A 54 ILE HA A 54 ILE HD1% 1.0 0.0 4.13 886 820 A 45 CYS HBx A 54 ILE HD1% 1.0 0.0 3.95 887 821 A 45 CYS HBy A 54 ILE HD1% 1.0 0.0 4.14 888 822 A 84 ILE HA A 84 ILE HD1% 1.0 0.0 3.39 889 823 A 54 ILE HB A 54 ILE HD1% 1.0 0.0 3.26 890 824 A 49 ILE HB A 49 ILE HD1% 1.0 0.0 3.58 891 825 A 84 ILE HD1% A 84 ILE HB 1.0 0.0 3.35 892 826 A 49 ILE HG2% A 49 ILE HD1% 1.0 0.0 3.33 893 827 A 44 ILE HD1% A 44 ILE HG2% 1.0 0.0 3.40 894 828 A 44 ILE HD1% A 84 ILE HD1% 1.0 0.0 3.53 895 829 A 104 GLN HBy A 74 VAL HA 1.0 0.0 4.59 896 830 A 70 VAL HA A 49 ILE HD1% 1.0 0.0 5.19 897 831 A 44 ILE HD1% A 83 CYS HA 1.0 0.0 4.96 898 832 A 83 CYS HA A 86 ARG HGy 1.0 0.0 5.50 899 833 A 83 CYS HA A 86 ARG HGx 1.0 0.0 4.93 900 834 A 85 SER HA A 88 LEU HBy 1.0 0.0 4.04 901 834 A 85 SER HA A 88 LEU HBx 1.0 0.0 4.04 902 835 A 85 SER HA A 88 LEU HDx% 1.0 0.0 3.85 903 836 A 73 GLY HAx A 74 VAL HA 1.0 0.0 4.92 904 837 A 73 GLY HAy A 74 VAL HA 1.0 0.0 5.07 905 838 A 44 ILE HG1y A 44 ILE HA 1.0 0.0 4.05 906 839 A 44 ILE HD1% A 44 ILE HA 1.0 0.0 4.87 907 840 A 58 ALA HB% A 56 CYS HA 1.0 0.0 5.50 908 841 A 61 ALA HB% A 56 CYS HA 1.0 0.0 5.50 909 842 A 56 CYS HA A 55 GLU HBy 1.0 0.0 4.83 910 843 A 59 ASN HBy A 56 CYS HA 1.0 0.0 3.99 911 844 A 54 ILE HA A 55 GLU HGx 1.0 0.0 5.43 912 845 A 54 ILE HA A 57 GLN HGy 1.0 0.0 5.50 913 846 A 54 ILE HA A 57 GLN HGx 1.0 0.0 5.34 914 847 A 54 ILE HA A 45 CYS HBx 1.0 0.0 4.65 915 848 A 85 SER HBx A 86 ARG HGx 1.0 0.0 5.50 916 849 A 42 CYS HBy A 49 ILE HA 1.0 0.0 5.06 917 850 A 41 ASN HA A 49 ILE HA 1.0 0.0 4.93 918 851 A 49 ILE HA A 48 HIS HD2 1.0 0.0 5.50 919 852 A 49 ILE HA A 49 ILE HG1y 1.0 0.0 4.25 920 853 A 49 ILE HG2% A 49 ILE HA 1.0 0.0 3.84 921 854 A 91 ARG HGx A 87 TRP HA 1.0 0.0 4.17 922 855 A 65 SER HA A 68 CYS HBx 1.0 0.0 5.46 923 856 A 84 ILE HA A 87 TRP HBx 1.0 0.0 4.04 924 857 A 69 THR HG2% A 82 HIS HA 1.0 0.0 4.85 925 858 A 103 PHE HA A 103 PHE HEy 1.0 0.0 5.19 926 859 A 86 ARG HA A 86 ARG HDx 1.0 0.0 5.17 927 860 A 86 ARG HDy A 86 ARG HA 1.0 0.0 5.39 928 861 A 42 CYS HA A 49 ILE HD1% 1.0 0.0 4.49 929 862 A 42 CYS HA A 79 PHE HA 1.0 0.0 4.18 930 863 A 79 PHE HDy A 42 CYS HA 1.0 0.0 4.22 931 864 A 52 LEU HBy A 57 GLN HA 1.0 0.0 4.55 932 865 A 101 TRP HBy A 93 VAL HA 1.0 0.0 4.87 933 866 A 88 LEU HDy% A 101 TRP HA 1.0 0.0 4.52 934 867 A 101 TRP HA A 102 GLU HBx 1.0 0.0 5.15 935 867 A 101 TRP HA A 102 GLU HBy 1.0 0.0 5.15 936 868 A 101 TRP HA A 100 GLU HBx 1.0 0.0 5.39 937 868 A 101 TRP HA A 100 GLU HBy 1.0 0.0 5.39 938 869 A 61 ALA HB% A 62 SER HA 1.0 0.0 4.87 939 870 A 47 ASN HBy A 53 CYS HA 1.0 0.0 4.90 940 871 A 75 CYS HA A 74 VAL HGx% 1.0 0.0 4.40 941 871 A 74 VAL HG21 A 75 CYS HA 1.0 0.0 4.40 942 872 A 100 GLU HA A 100 GLU HGx 1.0 0.0 4.18 943 873 A 94 CYS HA A 101 TRP HE3 1.0 0.0 3.98 944 874 A 72 TRP HA A 78 ALA HA 1.0 0.0 3.72 945 875 A 96 LEU HG A 96 LEU HA 1.0 0.0 4.12 946 876 A 60 GLN HA A 60 GLN HGx 1.0 0.0 3.98 947 877 A 61 ALA HB% A 60 GLN HA 1.0 0.0 4.58 948 878 A 79 PHE HA A 49 ILE HD1% 1.0 0.0 4.01 949 879 A 91 ARG HA A 91 ARG HDy 1.0 0.0 4.03 950 880 A 43 ALA HA A 46 ARG HDx 1.0 0.0 4.51 951 880 A 43 ALA HA A 46 ARG HDy 1.0 0.0 4.51 952 881 A 58 ALA HB% A 59 ASN HA 1.0 0.0 4.42 953 882 A 71 ALA HA A 106 TYR HA 1.0 0.0 4.01 954 883 A 70 VAL HA A 71 ALA HA 1.0 0.0 4.70 955 884 A 72 TRP HD1 A 71 ALA HA 1.0 0.0 5.50 956 885 A 71 ALA HA A 81 PHE HDx 1.0 0.0 5.50 957 886 A 70 VAL HGy% A 71 ALA HA 1.0 0.0 4.65 958 887 A 71 ALA HA A 72 TRP HBy 1.0 0.0 5.50 959 888 A 71 ALA HA A 106 TYR HBx 1.0 0.0 5.50 960 889 A 84 ILE HD1% A 95 PRO HDx 1.0 0.0 4.38 961 890 A 70 VAL HGy% A 78 ALA HA 1.0 0.0 4.94 962 891 A 79 PHE HBx A 84 ILE HB 1.0 0.0 4.29 963 892 A 79 PHE HBy A 84 ILE HB 1.0 0.0 4.04 964 893 A 17 ALA HA A 18 GLY HAy 1.0 0.0 5.41 965 894 A 107 GLY HAy A 108 HIS HA 1.0 0.0 5.50 966 895 A 107 GLY HAx A 108 HIS HA 1.0 0.0 5.02 967 896 A 52 LEU HBy A 57 GLN HGy 1.0 0.0 4.99 968 897 A 91 ARG HA A 91 ARG HDx 1.0 0.0 4.54 969 898 A 91 ARG HBy A 91 ARG HDx 1.0 0.0 4.20 970 899 A 91 ARG HBy A 91 ARG HDy 1.0 0.0 4.22 971 900 A 93 VAL HGy% A 91 ARG HDy 1.0 0.0 4.54 972 901 A 88 LEU HDx% A 88 LEU HBy 1.0 0.0 3.69 973 902 A 85 SER HA A 88 LEU HBy 1.0 0.0 4.99 974 903 A 88 LEU HDy% A 88 LEU HBx 1.0 0.0 3.89 975 904 A 86 ARG HA A 89 LYS HEx 1.0 0.0 5.50 976 905 A 86 ARG HA A 89 LYS HEy 1.0 0.0 5.50 977 906 A 89 LYS HEx A 89 LYS HBx 1.0 0.0 4.73 978 906 A 89 LYS HBy A 89 LYS HEx 1.0 0.0 4.73 979 907 A 89 LYS HEy A 89 LYS HBx 1.0 0.0 5.08 980 907 A 89 LYS HBy A 89 LYS HEy 1.0 0.0 5.08 981 908 A 89 LYS HGy A 89 LYS HEx 1.0 0.0 4.22 982 909 A 37 ILE HA A 36 ASP HBx 1.0 0.0 4.88 983 909 A 37 ILE HA A 36 ASP HBy 1.0 0.0 4.88 984 910 A 48 HIS HA A 41 ASN HBx 1.0 0.0 5.16 985 911 A 81 PHE HBx A 69 THR HG2% 1.0 0.0 4.85 986 912 A 81 PHE HBy A 84 ILE HG2% 1.0 0.0 5.03 987 913 A 81 PHE HBy A 71 ALA HB% 1.0 0.0 4.25 988 914 A 93 VAL HB A 98 ASN HBy 1.0 0.0 4.78 989 915 A 93 VAL HGy% A 98 ASN HBy 1.0 0.0 4.84 990 916 A 93 VAL HGx% A 98 ASN HBy 1.0 0.0 5.42 991 917 A 93 VAL HGx% A 98 ASN HBx 1.0 0.0 5.27 992 918 A 81 PHE HBx A 70 VAL HGx% 1.0 0.0 5.15 993 919 A 93 VAL HGy% A 98 ASN HBx 1.0 0.0 5.50 994 920 A 94 CYS HBx A 98 ASN HBx 1.0 0.0 5.28 995 921 A 83 CYS HA A 44 ILE HB 1.0 0.0 5.06 996 922 A 45 CYS HBy A 44 ILE HB 1.0 0.0 5.11 997 923 A 83 CYS HBx A 44 ILE HB 1.0 0.0 4.25 998 924 A 44 ILE HD1% A 44 ILE HB 1.0 0.0 3.88 999 925 A 49 ILE HB A 40 ASP HA 1.0 0.0 5.36 1000 926 A 84 ILE HB A 79 PHE H 1.0 0.0 4.66 1001 927 A 84 ILE HB A 79 PHE HDx 1.0 0.0 4.78 1002 928 A 79 PHE HDy A 84 ILE HB 1.0 0.0 5.37 1003 929 A 81 PHE HA A 84 ILE HB 1.0 0.0 5.12 1004 930 A 44 ILE HD1% A 84 ILE HB 1.0 0.0 4.69 1005 931 A 55 GLU HA A 55 GLU HGx 1.0 0.0 4.03 1006 932 A 55 GLU HA A 55 GLU HGy 1.0 0.0 4.16 1007 933 A 54 ILE HG2% A 55 GLU HGy 1.0 0.0 4.91 1008 934 A 54 ILE HD1% A 55 GLU HGx 1.0 0.0 5.39 1009 935 A 93 VAL HB A 98 ASN HBx 1.0 0.0 5.06 1010 936 A 100 GLU HA A 93 VAL HB 1.0 0.0 5.05 1011 937 A 105 LYS HBy A 105 LYS HDx 1.0 0.0 3.97 1012 937 A 105 LYS HBy A 105 LYS HDy 1.0 0.0 3.97 1013 938 A 74 VAL HA A 104 GLN HGx 1.0 0.0 4.28 1014 938 A 104 GLN HGy A 74 VAL HA 1.0 0.0 4.28 1015 939 A 72 TRP HBy A 104 GLN HGx 1.0 0.0 4.62 1016 939 A 104 GLN HGy A 72 TRP HBy 1.0 0.0 4.62 1017 940 A 74 VAL HG21 A 104 GLN HGx 1.0 0.0 4.10 1018 940 A 74 VAL HGx% A 104 GLN HGx 1.0 0.0 4.10 1019 940 A 104 GLN HGy A 74 VAL HGx% 1.0 0.0 4.10 1020 940 A 104 GLN HGy A 74 VAL HG21 1.0 0.0 4.10 1021 941 A 52 LEU HDx% A 57 GLN HGy 1.0 0.0 4.51 1022 942 A 58 ALA HB% A 57 GLN HGy 1.0 0.0 5.50 1023 943 A 52 LEU HBx A 57 GLN HGy 1.0 0.0 5.50 1024 944 A 58 ALA HA A 57 GLN HGy 1.0 0.0 5.39 1025 945 A 52 LEU HBx A 57 GLN HGx 1.0 0.0 4.47 1026 946 A 52 LEU HBy A 57 GLN HGx 1.0 0.0 4.62 1027 947 A 80 HIS HBx A 82 HIS HBy 1.0 0.0 4.34 1028 947 A 80 HIS HBy A 82 HIS HBy 1.0 0.0 4.34 1029 947 A 82 HIS HBx A 80 HIS HBy 1.0 0.0 4.34 1030 947 A 80 HIS HBx A 82 HIS HBx 1.0 0.0 4.34 1031 948 A 54 ILE HG1x A 45 CYS HBx 1.0 0.0 4.15 1032 949 A 77 HIS HBx A 101 TRP HH2 1.0 0.0 4.78 1033 950 A 104 GLN HBx A 72 TRP HBx 1.0 0.0 4.59 1034 951 A 77 HIS HBx A 96 LEU HDx% 1.0 0.0 4.86 1035 952 A 77 HIS HBy A 101 TRP HH2 1.0 0.0 4.81 1036 953 A 77 HIS HBy A 96 LEU HDx% 1.0 0.0 4.22 1037 954 A 94 CYS HBx A 93 VAL HB 1.0 0.0 5.36 1038 955 A 97 ASP H A 94 CYS HBy 1.0 0.0 3.71 1039 956 A 94 CYS HBy A 95 PRO HGx 1.0 0.0 5.42 1040 957 A 42 CYS HBx A 49 ILE HD1% 1.0 0.0 5.45 1041 958 A 41 ASN HA A 48 HIS HBx 1.0 0.0 5.01 1042 959 A 50 MET HBy A 49 ILE HG1x 1.0 0.0 4.62 1043 960 A 49 ILE HG2% A 50 MET HBy 1.0 0.0 4.81 1044 961 A 42 CYS HBy A 49 ILE HD1% 1.0 0.0 5.34 1045 962 A 49 ILE HD1% A 50 MET HBy 1.0 0.0 4.66 1046 963 A 50 MET HBy A 49 ILE HG1y 1.0 0.0 5.01 1047 964 A 99 ARG HBy A 99 ARG HDx 1.0 0.0 4.08 1048 965 A 104 GLN HBx A 73 GLY HAx 1.0 0.0 4.78 1049 966 A 104 GLN HBx A 74 VAL HGx% 1.0 0.0 4.65 1050 966 A 104 GLN HBx A 74 VAL HG21 1.0 0.0 4.65 1051 967 A 104 GLN HBy A 72 TRP HBy 1.0 0.0 4.73 1052 968 A 99 ARG HBy A 99 ARG HDy 1.0 0.0 4.02 1053 969 A 101 TRP HBy A 87 TRP HD1 1.0 0.0 4.45 1054 970 A 88 LEU HDy% A 101 TRP HBy 1.0 0.0 3.99 1055 971 A 88 LEU HDy% A 101 TRP HBx 1.0 0.0 3.95 1056 972 A 93 VAL HA A 101 TRP HBx 1.0 0.0 4.86 1057 973 A 101 TRP HBx A 87 TRP HD1 1.0 0.0 4.30 1058 974 A 56 CYS HBx A 52 LEU HBy 1.0 0.0 4.35 1059 975 A 83 CYS HBy A 44 ILE HG2% 1.0 0.0 3.63 1060 976 A 74 VAL HB A 75 CYS HBx 1.0 0.0 5.48 1061 977 A 44 ILE HG2% A 87 TRP HBx 1.0 0.0 4.12 1062 978 A 83 CYS HBx A 80 HIS HBy 1.0 0.0 4.62 1063 979 A 79 PHE HBy A 80 HIS HBy 1.0 0.0 5.13 1064 980 A 83 CYS HBx A 80 HIS HBx 1.0 0.0 4.37 1065 981 A 83 CYS HBy A 80 HIS HBx 1.0 0.0 4.86 1066 982 A 79 PHE HDy A 83 CYS HBx 1.0 0.0 5.50 1067 983 A 86 ARG H A 87 TRP HBy 1.0 0.0 5.50 1068 984 A 84 ILE HA A 87 TRP HBy 1.0 0.0 4.19 1069 985 A 93 VAL HGx% A 92 GLN HBy 1.0 0.0 4.37 1070 986 A 86 ARG HA A 89 LYS HDx 1.0 0.0 5.21 1071 987 A 89 LYS HA A 89 LYS HDy 1.0 0.0 5.50 1072 988 A 105 LYS HA A 105 LYS HDx 1.0 0.0 5.14 1073 988 A 105 LYS HA A 105 LYS HDy 1.0 0.0 5.14 1074 989 A 84 ILE HG1y A 88 LEU HG 1.0 0.0 5.50 1075 990 A 101 TRP HH2 A 84 ILE HG1x 1.0 0.0 5.04 1076 991 A 88 LEU HDx% A 84 ILE HG1x 1.0 0.0 4.00 1077 992 A 88 LEU HDy% A 84 ILE HG1x 1.0 0.0 4.66 1078 993 A 88 LEU HDy% A 84 ILE HG1y 1.0 0.0 5.41 1079 994 A 88 LEU HDx% A 84 ILE HG1y 1.0 0.0 4.44 1080 995 A 78 ALA HB% A 49 ILE HG1y 1.0 0.0 4.94 1081 996 A 70 VAL HGy% A 49 ILE HG1y 1.0 0.0 4.47 1082 997 A 72 TRP HZ2 A 49 ILE HG1x 1.0 0.0 5.50 1083 998 A 72 TRP HH2 A 49 ILE HG1x 1.0 0.0 5.06 1084 999 A 44 ILE HG1x A 44 ILE HA 1.0 0.0 4.07 1085 1000 A 40 ASP HBx A 49 ILE HG1y 1.0 0.0 5.50 1086 1000 A 40 ASP HBy A 49 ILE HG1y 1.0 0.0 5.50 1087 1000 A 49 ILE HG1x A 40 ASP HBx 1.0 0.0 5.50 1088 1000 A 40 ASP HBy A 49 ILE HG1x 1.0 0.0 5.50 1089 1001 A 54 ILE HG1y A 53 CYS HBx 1.0 0.0 4.46 1090 1002 A 46 ARG HA A 46 ARG HGx 1.0 0.0 4.20 1091 1003 A 80 HIS HE1 A 68 CYS HBy 1.0 0.0 5.43 1092 1004 A 84 ILE HG1x A 88 LEU HG 1.0 0.0 4.82 1093 1005 A 77 HIS HD2 A 96 LEU HG 1.0 0.0 5.29 1094 1006 A 88 LEU HDx% A 101 TRP HH2 1.0 0.0 5.43 1095 1007 A 88 LEU HA A 88 LEU HDx% 1.0 0.0 4.52 1096 1008 A 101 TRP HBy A 88 LEU HDx% 1.0 0.0 5.20 1097 1009 A 95 PRO HGx A 79 PHE HEy 1.0 0.0 4.81 1098 1010 A 96 LEU HG A 95 PRO HGx 1.0 0.0 4.85 1099 1011 A 44 ILE HD1% A 95 PRO HGx 1.0 0.0 4.32 1100 1012 A 96 LEU HDx% A 97 ASP HBx 1.0 0.0 5.36 1101 1013 A 44 ILE HG1y A 95 PRO HGy 1.0 0.0 4.87 1102 1013 A 44 ILE HG1y A 95 PRO HGx 1.0 0.0 4.87 1103 1014 A 44 ILE HD1% A 95 PRO HGy 1.0 0.0 4.40 1104 1014 A 44 ILE HD1% A 95 PRO HGx 1.0 0.0 4.40 1105 1015 A 84 ILE HD1% A 95 PRO HGy 1.0 0.0 4.96 1106 1015 A 84 ILE HD1% A 95 PRO HGx 1.0 0.0 4.96 1107 1016 A 52 LEU HDx% A 57 GLN HGx 1.0 0.0 4.25 1108 1017 A 71 ALA HB% A 101 TRP HH2 1.0 0.0 4.24 1109 1018 A 71 ALA HB% A 106 TYR HA 1.0 0.0 4.76 1110 1019 A 71 ALA HB% A 84 ILE H 1.0 0.0 5.50 1111 1020 A 71 ALA HB% A 105 LYS H 1.0 0.0 5.50 1112 1021 A 71 ALA HB% A 106 TYR HBx 1.0 0.0 4.63 1113 1022 A 70 VAL HGx% A 72 TRP HE3 1.0 0.0 5.03 1114 1023 A 70 VAL HGx% A 78 ALA HB% 1.0 0.0 5.36 1115 1024 A 77 HIS HD2 A 96 LEU HDy% 1.0 0.0 5.50 1116 1025 A 96 LEU HDy% A 79 PHE HEy 1.0 0.0 5.20 1117 1026 A 93 VAL HGx% A 92 GLN HBx 1.0 0.0 4.57 1118 1027 A 70 VAL HGy% A 80 HIS HD2 1.0 0.0 4.92 1119 1028 A 70 VAL HGy% A 72 TRP HH2 1.0 0.0 4.56 1120 1029 A 70 VAL HGy% A 49 ILE HG1x 1.0 0.0 4.18 1121 1030 A 78 ALA HB% A 101 TRP HH2 1.0 0.0 5.12 1122 1031 A 78 ALA HB% A 72 TRP HH2 1.0 0.0 4.48 1123 1032 A 78 ALA HB% A 72 TRP HA 1.0 0.0 4.30 1124 1033 A 78 ALA HB% A 49 ILE HG1x 1.0 0.0 4.91 1125 1034 A 84 ILE HG2% A 103 PHE HEy 1.0 0.0 3.79 1126 1035 A 84 ILE HG2% A 101 TRP HH2 1.0 0.0 4.31 1127 1036 A 84 ILE HG2% A 81 PHE HDx 1.0 0.0 3.80 1128 1037 A 84 ILE HA A 84 ILE HG2% 1.0 0.0 3.93 1129 1038 A 79 PHE HBx A 84 ILE HG2% 1.0 0.0 4.36 1130 1039 A 85 SER HBy A 84 ILE HG2% 1.0 0.0 4.93 1131 1040 A 81 PHE HBx A 84 ILE HG2% 1.0 0.0 4.49 1132 1041 A 49 ILE HG2% A 48 HIS HE1 1.0 0.0 4.72 1133 1042 A 41 ASN HA A 49 ILE HG2% 1.0 0.0 4.66 1134 1043 A 49 ILE HG2% A 40 ASP HA 1.0 0.0 4.24 1135 1044 A 43 ALA HB% A 41 ASN H 1.0 0.0 5.49 1136 1045 A 54 ILE HG2% A 55 GLU HGx 1.0 0.0 4.70 1137 1046 A 45 CYS HBy A 44 ILE HG2% 1.0 0.0 4.41 1138 1047 A 44 ILE HG2% A 44 ILE HG1y 1.0 0.0 4.13 1139 1048 A 54 ILE HD1% A 45 CYS HA 1.0 0.0 4.18 1140 1049 A 37 ILE HA A 37 ILE HD1% 1.0 0.0 4.31 1141 1050 A 38 VAL HA A 37 ILE HD1% 1.0 0.0 4.91 1142 1051 A 37 ILE HB A 37 ILE HD1% 1.0 0.0 3.77 1143 1052 A 79 PHE H A 49 ILE HD1% 1.0 0.0 4.90 1144 1053 A 49 ILE HD1% A 72 TRP HH2 1.0 0.0 4.76 1145 1054 A 49 ILE HD1% A 50 MET HA 1.0 0.0 3.95 1146 1055 A 49 ILE HD1% A 40 ASP HBx 1.0 0.0 4.55 1147 1055 A 40 ASP HBy A 49 ILE HD1% 1.0 0.0 4.55 1148 1056 A 80 HIS HD2 A 49 ILE HD1% 1.0 0.0 5.19 1149 1057 A 84 ILE HA A 44 ILE HD1% 1.0 0.0 3.78 1150 1058 A 44 ILE HD1% A 83 CYS HBx 1.0 0.0 4.20 1151 1059 A 44 ILE HD1% A 87 TRP HBy 1.0 0.0 4.44 1152 1060 A 44 ILE HD1% A 83 CYS HBy 1.0 0.0 4.08 1153 1061 A 70 VAL HB A 49 ILE HD1% 1.0 0.0 4.62 1154 1062 A 84 ILE HD1% A 101 TRP HE3 1.0 0.0 4.70 1155 1063 A 84 ILE HD1% A 101 TRP HH2 1.0 0.0 4.26 1156 1064 A 84 ILE HD1% A 94 CYS HA 1.0 0.0 4.57 1157 1065 A 84 ILE HD1% A 87 TRP HBx 1.0 0.0 3.92 1158 1066 A 95 PRO HDy A 84 ILE HD1% 1.0 0.0 4.09 1159 1067 A 84 ILE HD1% A 88 LEU HG 1.0 0.0 4.81 1160 1068 A 88 LEU HDy% A 84 ILE HD1% 1.0 0.0 3.95 1161 1069 A 84 ILE HD1% A 88 LEU HDx% 1.0 0.0 4.25 1162 1070 A 84 ILE HD1% A 95 PRO HGx 1.0 0.0 4.56 1163 1071 A 67 GLU HGx A 64 THR HB 1.0 0.0 5.50 1164 1072 A 67 GLU HGy A 64 THR HB 1.0 0.0 5.50 1165 1073 A 66 GLU HBx A 64 THR HB 1.0 0.0 5.50 1166 1074 A 64 THR HB A 67 GLU HBy 1.0 0.0 5.50 1167 1075 A 104 GLN HBx A 74 VAL HA 1.0 0.0 4.08 1168 1076 A 54 ILE HA A 54 ILE HG1y 1.0 0.0 4.24 1169 1077 A 80 HIS HA A 70 VAL HGx% 1.0 0.0 4.70 1170 1078 A 80 HIS HA A 70 VAL HGy% 1.0 0.0 4.66 1171 1079 A 93 VAL HA A 93 VAL HGy% 1.0 0.0 3.99 1172 1080 A 101 TRP HA A 94 CYS HBy 1.0 0.0 5.45 1173 1081 A 57 GLN HGy A 57 GLN HA 1.0 0.0 3.94 1174 1082 A 57 GLN HGx A 57 GLN HA 1.0 0.0 4.21 1175 1083 A 96 LEU HDx% A 96 LEU HA 1.0 0.0 4.62 1176 1084 A 52 LEU HA A 52 LEU HG 1.0 0.0 4.00 1177 1085 A 74 VAL HG21 A 102 GLU HGx 1.0 0.0 4.11 1178 1085 A 74 VAL HGx% A 102 GLU HGx 1.0 0.0 4.11 1179 1085 A 102 GLU HGy A 74 VAL HGx% 1.0 0.0 4.11 1180 1085 A 74 VAL HG21 A 102 GLU HGy 1.0 0.0 4.11 1181 1086 A 86 ARG H A 87 TRP HBx 1.0 0.0 5.07 1182 1087 A 71 ALA HB% A 70 VAL HGy% 1.0 0.0 4.90 1183 1088 A 44 ILE HD1% A 87 TRP HA 1.0 0.0 5.50 1184 1089 A 97 ASP H A 95 PRO HDx 1.0 0.0 4.72 1185 1090 A 95 PRO HDy A 97 ASP H 1.0 0.0 5.05 1186 1091 A 95 PRO HDy A 79 PHE HEx 1.0 0.0 5.26 1187 1092 A 95 PRO HDy A 87 TRP HD1 1.0 0.0 5.06 1188 1093 A 88 LEU HDy% A 95 PRO HDy 1.0 0.0 5.39 1189 1094 A 87 TRP HZ2 A 91 ARG HGy 1.0 0.0 5.50 1190 1095 A 43 ALA HB% A 79 PHE HEy 1.0 0.0 4.73 1191 1096 A 79 PHE HDy A 43 ALA HB% 1.0 0.0 4.00 1192 1097 A 87 TRP HZ2 A 95 PRO HBy 1.0 0.0 5.08 1193 1098 A 79 PHE HEy A 95 PRO HBx 1.0 0.0 5.35 1194 1099 A 79 PHE HDx A 84 ILE HG1y 1.0 0.0 5.31 1195 1100 A 84 ILE HG1y A 101 TRP HZ2 1.0 0.0 5.50 1196 1101 A 84 ILE HG1x A 87 TRP HD1 1.0 0.0 5.28 1197 1102 A 84 ILE HG1x A 101 TRP HZ2 1.0 0.0 5.50 1198 1103 A 50 MET HBy A 72 TRP HH2 1.0 0.0 4.12 1199 1104 A 49 ILE HA A 49 ILE HD1% 1.0 0.0 3.20 1200 1105 A 94 CYS HBy A 93 VAL HB 1.0 0.0 5.50 1201 1106 A 104 GLN HBx A 72 TRP HBy 1.0 0.0 4.16 1202 1107 A 91 ARG HBx A 87 TRP HZ2 1.0 0.0 5.14 1203 1108 A 94 CYS HBy A 99 ARG HBx 1.0 0.0 5.50 1204 1109 A 94 CYS HBx A 99 ARG HBx 1.0 0.0 5.07 1205 1110 A 73 GLY HAx A 74 VAL HGx% 1.0 0.0 5.02 1206 1110 A 74 VAL HG21 A 73 GLY HAx 1.0 0.0 5.02 1207 1111 A 73 GLY HAy A 74 VAL HGx% 1.0 0.0 5.14 1208 1111 A 73 GLY HAy A 74 VAL HG21 1.0 0.0 5.14 1209 1112 A 73 GLY HAy A 101 TRP HZ2 1.0 0.0 4.97 1210 1113 A 73 GLY HAx A 101 TRP HE3 1.0 0.0 5.10 1211 1114 A 73 GLY HAy A 101 TRP HH2 1.0 0.0 4.44 1212 1115 A 73 GLY HAy A 101 TRP HE3 1.0 0.0 4.73 1213 1116 A 84 ILE HA A 88 LEU HG 1.0 0.0 5.50 1214 1117 A 84 ILE HA A 88 LEU HDx% 1.0 0.0 5.27 1215 1118 A 102 GLU HA A 102 GLU HGx 1.0 0.0 3.75 1216 1118 A 102 GLU HA A 102 GLU HGy 1.0 0.0 3.75 1217 1119 A 50 MET HA A 50 MET HGx 1.0 0.0 3.53 1218 1119 A 50 MET HA A 50 MET HGy 1.0 0.0 3.53 1219 1120 A 80 HIS HA A 70 VAL HA 1.0 0.0 3.25 1220 1121 A 52 LEU HBx A 65 SER HBy 1.0 0.0 5.50 1221 1122 A 52 LEU HBx A 57 GLN HA 1.0 0.0 4.80 1222 1123 A 87 TRP HD1 A 88 LEU HBx 1.0 0.0 5.22 1223 1124 A 44 ILE HD1% A 79 PHE HBy 1.0 0.0 5.03 1224 1125 A 84 ILE HD1% A 79 PHE HBy 1.0 0.0 4.92 1225 1126 A 79 PHE HBy A 84 ILE HG2% 1.0 0.0 3.88 1226 1127 A 84 ILE HG2% A 88 LEU HDx% 1.0 0.0 4.07 1227 1128 A 84 ILE HG2% A 88 LEU HBx 1.0 0.0 5.49 1228 1129 A 84 ILE HG2% A 88 LEU HG 1.0 0.0 5.50 1229 1130 A 84 ILE HD1% A 79 PHE HBx 1.0 0.0 4.02 1230 1131 A 84 ILE HD1% A 87 TRP HBy 1.0 0.0 3.99 1231 1132 A 94 CYS HA A 95 PRO HGy 1.0 0.0 4.95 1232 1132 A 95 PRO HGx A 94 CYS HA 1.0 0.0 4.95 1233 1133 A 73 GLY HAy A 78 ALA H 1.0 0.0 5.44 1234 1134 A 49 ILE HG2% A 48 HIS HD2 1.0 0.0 5.50 1235 1135 A 49 ILE HG2% A 72 TRP HH2 1.0 0.0 5.50 1236 1136 A 58 ALA HB% A 59 ASN HBx 1.0 0.0 4.39 1237 1137 A 61 ALA HB% A 59 ASN HBy 1.0 0.0 4.24 1238 1138 A 107 GLY HAx A 106 TYR HA 1.0 0.0 5.50 1239 1139 A 107 GLY HAy A 106 TYR HA 1.0 0.0 5.50 1240 1140 A 107 GLY HAx A 106 TYR HDy 1.0 0.0 5.33 1241 1141 A 107 GLY HAy A 106 TYR HDy 1.0 0.0 5.39 1242 1142 A 87 TRP HZ2 A 91 ARG HDx 1.0 0.0 4.93 1243 1143 A 86 ARG HDx A 86 ARG HBy 1.0 0.0 3.93 1244 1144 A 86 ARG HDy A 86 ARG HBy 1.0 0.0 3.96 1245 1145 A 46 ARG HBy A 46 ARG HDx 1.0 0.0 3.95 1246 1145 A 46 ARG HBy A 46 ARG HDy 1.0 0.0 3.95 1247 1146 A 46 ARG HBx A 46 ARG HDx 1.0 0.0 4.04 1248 1146 A 46 ARG HBx A 46 ARG HDy 1.0 0.0 4.04 1249 1147 A 46 ARG HA A 46 ARG HDx 1.0 0.0 4.61 1250 1147 A 46 ARG HA A 46 ARG HDy 1.0 0.0 4.61 1251 1148 A 94 CYS HBx A 97 ASP HBx 1.0 0.0 4.79 1252 1149 A 61 ALA HB% A 59 ASN HBx 1.0 0.0 5.50 1253 1150 A 59 ASN HBx A 56 CYS HA 1.0 0.0 3.26 1254 1151 A 43 ALA HB% A 46 ARG HA 1.0 0.0 4.38 1255 1152 A 106 TYR HA A 106 TYR HDx 1.0 0.0 4.71 1256 1153 A 106 TYR HA A 106 TYR HDy 1.0 0.0 5.07 1257 1154 A 89 LYS HGy A 89 LYS HBx 1.0 0.0 2.92 1258 1154 A 89 LYS HBy A 89 LYS HGy 1.0 0.0 2.92 1259 1155 A 105 LYS HBx A 105 LYS HDx 1.0 0.0 4.16 1260 1155 A 105 LYS HBx A 105 LYS HDy 1.0 0.0 4.16 1261 1156 A 105 LYS HA A 105 LYS HEx 1.0 0.0 5.41 1262 1156 A 105 LYS HA A 105 LYS HEy 1.0 0.0 5.41 1263 1157 A 74 VAL HA A 104 GLN HA 1.0 0.0 4.65 1264 1158 A 73 GLY HAx A 72 TRP HBy 1.0 0.0 5.50 1265 1159 A 73 GLY HAx A 72 TRP HBx 1.0 0.0 5.50 1266 1160 A 72 TRP HBy A 74 VAL HA 1.0 0.0 5.50 1267 1161 A 104 GLN HBy A 72 TRP HBx 1.0 0.0 5.04 1268 1162 A 72 TRP HBx A 104 GLN HGx 1.0 0.0 5.01 1269 1162 A 104 GLN HGy A 72 TRP HBx 1.0 0.0 5.01 1270 1163 A 65 SER HA A 52 LEU HDy% 1.0 0.0 3.84 1271 1164 A 52 LEU HDy% A 65 SER HBx 1.0 0.0 3.86 1272 1165 A 78 ALA HB% A 79 PHE HA 1.0 0.0 5.50 1273 1166 A 48 HIS HD2 A 40 ASP HBx 1.0 0.0 4.96 1274 1166 A 40 ASP HBy A 48 HIS HD2 1.0 0.0 4.96 1275 1167 A 48 HIS HE1 A 40 ASP HBx 1.0 0.0 5.23 1276 1167 A 40 ASP HBy A 48 HIS HE1 1.0 0.0 5.23 1277 1168 A 49 ILE HB A 40 ASP HBx 1.0 0.0 5.00 1278 1168 A 49 ILE HB A 40 ASP HBy 1.0 0.0 5.00 1279 1169 A 77 HIS HA A 39 VAL HGx% 1.0 0.0 5.34 1280 1170 A 77 HIS HA A 96 LEU HDx% 1.0 0.0 5.08 1281 1171 A 77 HIS HA A 78 ALA HB% 1.0 0.0 5.01 1282 1172 A 104 GLN HA A 103 PHE HBx 1.0 0.0 4.68 1283 1172 A 103 PHE HBy A 104 GLN HA 1.0 0.0 4.68 1284 1173 A 95 PRO HDy A 94 CYS HBx 1.0 0.0 5.50 1285 1174 A 44 ILE HD1% A 95 PRO HDx 1.0 0.0 5.29 1286 1175 A 95 PRO HDy A 44 ILE HD1% 1.0 0.0 5.50 1287 1176 A 79 PHE HBy A 44 ILE HG1y 1.0 0.0 5.50 1288 1177 A 44 ILE HD1% A 79 PHE HBx 1.0 0.0 4.95 1289 1178 A 79 PHE HEy A 95 PRO HGy 1.0 0.0 5.50 1290 1178 A 95 PRO HGx A 79 PHE HEy 1.0 0.0 5.50 1291 1179 A 91 ARG HBy A 87 TRP HD1 1.0 0.0 5.46 1292 1180 A 88 LEU HA A 91 ARG HBy 1.0 0.0 5.35 1293 1181 A 54 ILE HG2% A 45 CYS HA 1.0 0.0 3.92 1294 1182 A 83 CYS HBy A 44 ILE HB 1.0 0.0 3.90 1295 1183 A 52 LEU HBy A 56 CYS HBy 1.0 0.0 4.27 1296 1184 A 52 LEU HDy% A 68 CYS HBx 1.0 0.0 4.14 1297 1185 A 65 SER HA A 68 CYS HBy 1.0 0.0 4.69 1298 1185 A 65 SER HA A 68 CYS HBx 1.0 0.0 4.69 1299 1186 A 74 VAL HA A 74 VAL HGx% 1.0 0.0 2.91 1300 1186 A 74 VAL HG21 A 74 VAL HA 1.0 0.0 2.91 1301 1187 A 56 CYS HBx A 68 CYS HBx 1.0 0.0 5.08 1302 1188 A 83 CYS HBx A 44 ILE HG2% 1.0 0.0 4.31 1303 1189 A 44 ILE HG2% A 87 TRP HBy 1.0 0.0 4.62 1304 1190 A 93 VAL HGy% A 92 GLN HBy 1.0 0.0 4.48 1305 1191 A 44 ILE HD1% A 87 TRP HE3 1.0 0.0 5.20 1306 1192 A 49 ILE HA A 40 ASP HBx 1.0 0.0 5.50 1307 1192 A 40 ASP HBy A 49 ILE HA 1.0 0.0 5.50 1308 1193 A 41 ASN HA A 49 ILE HB 1.0 0.0 4.52 1309 1194 A 43 ALA HB% A 41 ASN HBx 1.0 0.0 5.50 1310 1195 A 48 HIS HA A 41 ASN HBy 1.0 0.0 4.86 1311 1196 A 90 THR HG2% A 89 LYS HBx 1.0 0.0 4.03 1312 1196 A 90 THR HG2% A 89 LYS HBy 1.0 0.0 4.03 1313 1197 A 64 THR HA A 67 GLU HGx 1.0 0.0 5.50 1314 1198 A 64 THR HA A 67 GLU HGy 1.0 0.0 5.50 1315 1199 A 64 THR HA A 66 GLU HBx 1.0 0.0 5.50 1316 1200 A 64 THR HA A 66 GLU HBy 1.0 0.0 5.50 1317 1201 A 66 GLU HBx A 64 THR HG2% 1.0 0.0 4.81 1318 1202 A 64 THR HG2% A 66 GLU HBy 1.0 0.0 5.32 1319 1203 A 67 GLU HGx A 64 THR HG2% 1.0 0.0 4.94 1320 1204 A 67 GLU HGy A 64 THR HG2% 1.0 0.0 5.29 1321 1205 A 44 ILE HD1% A 87 TRP HBx 1.0 0.0 4.24 1322 1206 A 97 ASP HBy A 99 ARG HGx 1.0 0.0 5.03 1323 1206 A 99 ARG HGy A 97 ASP HBy 1.0 0.0 5.03 1324 1207 A 90 THR HG2% A 89 LYS HA 1.0 0.0 5.33 1325 1208 A 95 PRO HGx A 94 CYS HA 1.0 0.0 5.23 1326 1209 A 94 CYS HA A 95 PRO HBx 1.0 0.0 5.50 1327 1210 A 101 TRP HBy A 94 CYS HA 1.0 0.0 4.38 1328 1211 A 93 VAL HGx% A 94 CYS HA 1.0 0.0 5.50 1329 1212 A 94 CYS HA A 95 PRO HBy 1.0 0.0 5.50 1330 1213 A 65 SER HA A 68 CYS HA 1.0 0.0 4.20 1331 1214 A 66 GLU HGx A 66 GLU HA 1.0 0.0 3.72 1332 1215 A 66 GLU HGy A 66 GLU HA 1.0 0.0 3.85 1333 1216 A 104 GLN HA A 104 GLN HGx 1.0 0.0 3.12 1334 1216 A 104 GLN HGy A 104 GLN HA 1.0 0.0 3.12 1335 1217 A 71 ALA HB% A 101 TRP HZ2 1.0 0.0 3.56 1336 1218 A 84 ILE HG2% A 101 TRP HZ2 1.0 0.0 4.00 1337 1219 A 101 TRP HZ2 A 103 PHE HEy 1.0 0.0 4.04 1338 1220 A 103 PHE HDy A 101 TRP HZ2 1.0 0.0 3.93 1339 1221 A 80 HIS HE1 A 68 CYS HBy 1.0 0.0 4.32 1340 1221 A 68 CYS HBx A 80 HIS HE1 1.0 0.0 4.32 1341 1222 A 97 ASP HA A 77 HIS HE1 1.0 0.0 4.28 1342 1223 A 97 ASP HBx A 77 HIS HE1 1.0 0.0 3.44 1343 1224 A 97 ASP HBy A 77 HIS HE1 1.0 0.0 3.82 1344 1225 A 96 LEU HBx A 77 HIS HE1 1.0 0.0 3.46 1345 1226 A 96 LEU HG A 77 HIS HE1 1.0 0.0 4.42 1346 1227 A 96 LEU HDx% A 77 HIS HE1 1.0 0.0 4.17 1347 1228 A 103 PHE HA A 103 PHE HDy 1.0 0.0 3.71 1348 1229 A 103 PHE HDy A 103 PHE HBx 1.0 0.0 3.56 1349 1230 A 103 PHE HBy A 103 PHE HDx 1.0 0.0 3.43 1350 1231 A 71 ALA HB% A 103 PHE HDy 1.0 0.0 3.57 1351 1232 A 105 LYS HA A 106 TYR HDx 1.0 0.0 4.39 1352 1233 A 106 TYR HBx A 106 TYR HDy 1.0 0.0 3.30 1353 1233 A 106 TYR HBx A 106 TYR HDx 1.0 0.0 3.30 1354 1234 A 106 TYR HBy A 106 TYR HDx 1.0 0.0 3.30 1355 1234 A 106 TYR HBy A 106 TYR HDy 1.0 0.0 3.30 1356 1235 A 79 PHE HDy A 79 PHE HA 1.0 0.0 3.85 1357 1236 A 79 PHE HBx A 79 PHE HDx 1.0 0.0 3.57 1358 1237 A 79 PHE HDy A 79 PHE HBy 1.0 0.0 3.60 1359 1238 A 79 PHE HDy A 44 ILE HG1y 1.0 0.0 4.17 1360 1239 A 79 PHE HDy A 44 ILE HD1% 1.0 0.0 4.19 1361 1240 A 84 ILE HD1% A 79 PHE HDx 1.0 0.0 4.17 1362 1241 A 88 LEU HDx% A 103 PHE HEx 1.0 0.0 4.34 1363 1242 A 88 LEU HDx% A 103 PHE HEy 1.0 0.0 4.94 1364 1243 A 81 PHE HDx A 103 PHE HEy 1.0 0.0 4.13 1365 1244 A 81 PHE HA A 81 PHE HDx 1.0 0.0 3.82 1366 1245 A 95 PRO HDx A 79 PHE HEx 1.0 0.0 4.33 1367 1246 A 96 LEU HG A 79 PHE HEx 1.0 0.0 4.21 1368 1247 A 96 LEU HG A 79 PHE HEy 1.0 0.0 4.60 1369 1248 A 79 PHE HEy A 96 LEU HBy 1.0 0.0 5.50 1370 1249 A 96 LEU HDx% A 79 PHE HEx 1.0 0.0 4.47 1371 1250 A 96 LEU HDx% A 79 PHE HEy 1.0 0.0 4.72 1372 1251 A 88 LEU HA A 87 TRP HD1 1.0 0.0 3.58 1373 1252 A 84 ILE HA A 87 TRP HD1 1.0 0.0 4.37 1374 1253 A 87 TRP HD1 A 87 TRP HBx 1.0 0.0 3.64 1375 1254 A 87 TRP HBy A 87 TRP HD1 1.0 0.0 3.90 1376 1255 A 88 LEU HG A 87 TRP HD1 1.0 0.0 3.80 1377 1256 A 88 LEU HDy% A 87 TRP HD1 1.0 0.0 2.96 1378 1257 A 88 LEU HDx% A 87 TRP HD1 1.0 0.0 3.66 1379 1258 A 84 ILE HD1% A 87 TRP HD1 1.0 0.0 3.31 1380 1259 A 87 TRP HD1 A 101 TRP HD1 1.0 0.0 5.44 1381 1260 A 101 TRP HA A 101 TRP HD1 1.0 0.0 4.68 1382 1261 A 72 TRP HD1 A 72 TRP HBx 1.0 0.0 3.80 1383 1262 A 72 TRP HD1 A 72 TRP HBy 1.0 0.0 3.65 1384 1263 A 70 VAL HB A 72 TRP HZ3 1.0 0.0 5.29 1385 1264 A 70 VAL HGx% A 72 TRP HZ3 1.0 0.0 4.43 1386 1265 A 78 ALA HB% A 72 TRP HZ3 1.0 0.0 4.47 1387 1266 A 35 TRP HA A 35 TRP HE3 1.0 0.0 4.42 1388 1267 A 72 TRP HA A 72 TRP HE3 1.0 0.0 4.37 1389 1268 A 71 ALA HA A 72 TRP HE3 1.0 0.0 4.94 1390 1269 A 72 TRP HBx A 72 TRP HE3 1.0 0.0 4.08 1391 1270 A 101 TRP HA A 101 TRP HE3 1.0 0.0 3.73 1392 1271 A 94 CYS HBy A 101 TRP HE3 1.0 0.0 4.40 1393 1272 A 101 TRP HBy A 101 TRP HE3 1.0 0.0 3.93 1394 1273 A 44 ILE HG2% A 87 TRP HE3 1.0 0.0 4.76 1395 1274 A 87 TRP HE3 A 91 ARG HGy 1.0 0.0 4.98 1396 1275 A 87 TRP HBy A 87 TRP HE3 1.0 0.0 4.01 1397 1276 A 87 TRP HA A 87 TRP HE3 1.0 0.0 4.05 1398 1277 A 80 HIS HA A 80 HIS HD2 1.0 0.0 3.69 1399 1278 A 80 HIS HD2 A 50 MET HA 1.0 0.0 4.17 1400 1279 A 70 VAL HA A 80 HIS HD2 1.0 0.0 4.64 1401 1280 A 80 HIS HD2 A 80 HIS HBy 1.0 0.0 3.98 1402 1281 A 49 ILE HA A 80 HIS HD2 1.0 0.0 4.48 1403 1282 A 70 VAL HGx% A 80 HIS HD2 1.0 0.0 4.51 1404 1283 A 77 HIS HD2 A 77 HIS HA 1.0 0.0 3.23 1405 1284 A 77 HIS HD2 A 96 LEU HDx% 1.0 0.0 3.64 1406 1285 A 77 HIS HD2 A 96 LEU HBx 1.0 0.0 5.50 1407 1286 A 82 HIS HD2 A 82 HIS HA 1.0 0.0 3.07 1408 1287 A 85 SER HBx A 82 HIS HD2 1.0 0.0 5.30 1409 1288 A 86 ARG H A 82 HIS HD2 1.0 0.0 4.17 1410 1289 A 95 PRO HA A 87 TRP HZ2 1.0 0.0 3.70 1411 1290 A 93 VAL HGy% A 87 TRP HZ2 1.0 0.0 3.34 1412 1291 A 87 TRP HZ2 A 95 PRO HBx 1.0 0.0 4.50 1413 1292 A 87 TRP HZ2 A 91 ARG HDy 1.0 0.0 4.21 1414 1292 A 87 TRP HZ2 A 91 ARG HDx 1.0 0.0 4.21 1415 1293 A 95 PRO HDy A 87 TRP HZ2 1.0 0.0 5.17 1416 1294 A 73 GLY HAx A 101 TRP HZ2 1.0 0.0 4.50 1417 1295 A 103 PHE HA A 101 TRP HZ2 1.0 0.0 4.77 1418 1296 A 79 PHE HDy A 44 ILE HG1x 1.0 0.0 4.01 1419 1297 A 70 VAL HGx% A 72 TRP HD1 1.0 0.0 5.50 1420 1298 A 84 ILE HG1y A 87 TRP HD1 1.0 0.0 4.98 1421 1299 A 106 TYR HBx A 106 TYR HE% 1.0 0.0 5.04 1422 1300 A 106 TYR HBy A 106 TYR HE% 1.0 0.0 5.04 1423 1301 A 73 GLY HAx A 101 TRP HH2 1.0 0.0 4.48 1424 1302 A 70 VAL HGx% A 72 TRP HH2 1.0 0.0 4.43 1425 1303 A 87 TRP HD1 A 88 LEU HBy 1.0 0.0 4.98 1426 1304 A 79 PHE HEx A 94 CYS HA 1.0 0.0 5.01 1427 1305 A 79 PHE HDy A 44 ILE HB 1.0 0.0 5.03 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 42 CYS SG A 45 CYS SG 1.0 3.55 3.95 2 2 A 42 CYS SG A 83 CYS SG 1.0 3.55 3.95 3 3 A 45 CYS SG A 83 CYS SG 1.0 3.55 3.95 4 4 A 42 CYS SG A 80 HIS ND1 1.0 3.55 3.95 5 5 A 45 CYS SG A 80 HIS ND1 1.0 3.55 3.95 6 6 A 83 CYS SG A 80 HIS ND1 1.0 3.55 3.95 7 7 A 53 CYS SG A 56 CYS SG 1.0 3.55 3.95 8 8 A 53 CYS SG A 68 CYS SG 1.0 3.55 3.95 9 9 A 56 CYS SG A 68 CYS SG 1.0 3.55 3.95 10 10 A 53 CYS SG A 82 HIS ND1 1.0 3.55 3.95 11 11 A 56 CYS SG A 82 HIS ND1 1.0 3.55 3.95 12 12 A 68 CYS SG A 82 HIS ND1 1.0 3.55 3.95 13 13 A 75 CYS SG A 94 CYS SG 1.0 3.55 3.95 14 14 A 75 CYS SG A 77 HIS ND1 1.0 3.55 3.95 15 15 A 94 CYS SG A 77 HIS ND1 1.0 3.55 3.95 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 71 ALA H A 79 PHE O 1.0 0.0 2.3 2 2 A 79 PHE O A 71 ALA N 1.0 0.0 3.3 3 3 A 79 PHE H A 71 ALA O 1.0 0.0 2.3 4 4 A 71 ALA O A 79 PHE N 1.0 0.0 3.3 5 5 A 77 HIS H A 73 GLY O 1.0 0.0 2.3 6 6 A 73 GLY O A 77 HIS N 1.0 0.0 3.3 7 7 A 84 ILE H A 80 HIS O 1.0 0.0 2.3 8 8 A 80 HIS O A 84 ILE N 1.0 0.0 3.3 9 9 A 85 SER H A 81 PHE O 1.0 0.0 2.3 10 10 A 81 PHE O A 85 SER N 1.0 0.0 3.3 11 11 A 86 ARG H A 82 HIS O 1.0 0.0 2.3 12 12 A 82 HIS O A 86 ARG N 1.0 0.0 3.3 13 13 A 87 TRP H A 83 CYS O 1.0 0.0 2.3 14 14 A 83 CYS O A 87 TRP N 1.0 0.0 3.3 15 15 A 88 LEU H A 84 ILE O 1.0 0.0 2.3 16 16 A 84 ILE O A 88 LEU N 1.0 0.0 3.3 17 17 A 89 LYS H A 85 SER O 1.0 0.0 2.3 18 18 A 85 SER O A 89 LYS N 1.0 0.0 3.3 19 19 A 90 THR H A 86 ARG O 1.0 0.0 2.3 20 20 A 86 ARG O A 90 THR N 1.0 0.0 3.3 stop_ save_