data_nef_c26054_2ndb 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 2NDB 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 5 CYS SG 1 21 CYS SG 1 13 CYS SG 1 26 CYS SG 1 20 CYS SG 1 37 CYS SG 1 28 CYS SG 1 35 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 LYS middle . . 5 A 5 CYS middle -HG . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 LYS middle . . 9 A 9 ASP middle . . 10 A 10 TYR middle . . 11 A 11 GLY middle . false 12 A 12 ARG middle . . 13 A 13 CYS middle -HG . 14 A 14 LYS middle . . 15 A 15 TRP middle . . 16 A 16 GLY middle . false 17 A 17 GLY middle . false 18 A 18 THR middle . . 19 A 19 PRO middle . false 20 A 20 CYS middle -HG . 21 A 21 CYS middle -HG . 22 A 22 ARG middle . . 23 A 23 GLY middle . false 24 A 24 ARG middle . . 25 A 25 GLY middle . false 26 A 26 CYS middle -HG . 27 A 27 ILE middle . . 28 A 28 CYS middle -HG . 29 A 29 SER middle . . 30 A 30 ILE middle . . 31 A 31 MET middle . . 32 A 32 GLY middle . false 33 A 33 THR middle . . 34 A 34 ASN middle . . 35 A 35 CYS middle -HG . 36 A 36 GLU middle . . 37 A 37 CYS middle -HG . 38 A 38 LYS middle . . 39 A 39 PRO middle . false 40 A 40 ARG middle . . 41 A 41 LEU middle . . 42 A 42 ILE middle . . 43 A 43 MET middle . . 44 A 44 GLU middle . . 45 A 45 GLY middle . false 46 A 46 LEU middle . . 47 A 47 GLY middle . false 48 A 48 LEU middle . . 49 A 49 ALA end . . 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 2 LYS H H 1 8.4011 . A 2 LYS HA H 1 3.9711 . A 2 LYS N N 15 123.0443 . A 3 LYS H H 1 8.2686 . A 3 LYS HA H 1 4.3323 . A 3 LYS HDy H 1 1.8139 . A 3 LYS HEx H 1 2.6096 . A 3 LYS N N 15 118.8741 . A 4 LYS H H 1 8.3952 . A 4 LYS HA H 1 4.3494 . A 4 LYS HBy H 1 1.8231 . A 4 LYS HDx H 1 1.7595 . A 4 LYS HEx H 1 3.0175 . A 4 LYS HGx H 1 1.4097 . A 4 LYS HGy H 1 1.4906 . A 4 LYS N N 15 124.0429 . A 5 CYS H H 1 7.9209 . A 5 CYS HA H 1 5.0471 . A 5 CYS HBx H 1 2.8741 . A 5 CYS HBy H 1 3.0129 . A 5 CYS N N 15 115.2514 . A 6 ILE H H 1 9.2111 . A 6 ILE HA H 1 4.7626 . A 6 ILE HB H 1 2.0917 . A 6 ILE HD1% H 1 0.9023 . A 6 ILE HG1y H 1 1.3044 . A 6 ILE HG1x H 1 1.3017 . A 6 ILE HG2% H 1 1.1323 . A 6 ILE N N 15 120.7058 . A 7 ALA H H 1 8.7981 . A 7 ALA HA H 1 3.9767 . A 7 ALA HB% H 1 1.4784 . A 7 ALA N N 15 136.8541 . A 8 LYS H H 1 7.2997 . A 8 LYS HA H 1 4.1023 . A 8 LYS HBx H 1 1.6931 . A 8 LYS HBy H 1 1.8289 . A 8 LYS HDy H 1 1.5855 . A 8 LYS HDx H 1 1.5854 . A 8 LYS HEx H 1 3.2110 . A 8 LYS HEy H 1 3.2136 . A 8 LYS HGx H 1 1.4763 . A 8 LYS HGy H 1 1.4776 . A 8 LYS N N 15 118.6630 . A 9 ASP H H 1 9.1972 . A 9 ASP HA H 1 3.9736 . A 9 ASP HBy H 1 2.7937 . A 9 ASP HBx H 1 2.3842 . A 9 ASP N N 15 133.0719 . A 10 TYR H H 1 8.5571 . A 10 TYR HA H 1 4.0361 . A 10 TYR HBy H 1 3.2577 . A 10 TYR HBx H 1 2.7579 . A 10 TYR HDx H 1 7.0593 . A 10 TYR HDy H 1 7.1162 . A 10 TYR HEy H 1 6.9264 . A 10 TYR HEx H 1 6.8222 . A 10 TYR N N 15 120.9087 . A 11 GLY H H 1 7.9578 . A 11 GLY HAy H 1 3.8833 . A 11 GLY HAx H 1 3.2075 . A 11 GLY N N 15 104.8321 . A 12 ARG H H 1 8.2659 . A 12 ARG HA H 1 4.5553 . A 12 ARG HBx H 1 1.8075 . A 12 ARG HBy H 1 1.8770 . A 12 ARG HDx H 1 3.2080 . A 12 ARG HDy H 1 3.2080 . A 12 ARG HGx H 1 1.4697 . A 12 ARG HGy H 1 1.4697 . A 12 ARG N N 15 122.9258 . A 13 CYS H H 1 7.6922 . A 13 CYS HA H 1 5.0187 . A 13 CYS HBy H 1 3.3680 . A 13 CYS HBx H 1 3.2917 . A 13 CYS N N 15 119.5070 . A 14 LYS H H 1 9.0927 . A 14 LYS HA H 1 4.5767 . A 14 LYS HBx H 1 1.6641 . A 14 LYS HBy H 1 1.7454 . A 14 LYS HDy H 1 1.6623 . A 14 LYS HDx H 1 1.5619 . A 14 LYS HEx H 1 2.9994 . A 14 LYS HEy H 1 2.9994 . A 14 LYS HGx H 1 1.3325 . A 14 LYS HGy H 1 1.4010 . A 14 LYS N N 15 119.6660 . A 15 TRP H H 1 9.0884 . A 15 TRP HA H 1 4.4736 . A 15 TRP HBx H 1 3.2610 . A 15 TRP HBy H 1 3.2622 . A 15 TRP HD1 H 1 7.1559 . A 15 TRP HE1 H 1 10.0374 . A 15 TRP HE3 H 1 7.6274 . A 15 TRP HH2 H 1 7.1162 . A 15 TRP HZ2 H 1 7.2376 . A 15 TRP HZ3 H 1 6.8222 . A 15 TRP N N 15 129.4545 . A 15 TRP NE1 N 15 129.3883 . A 16 GLY H H 1 8.7454 . A 16 GLY HAx H 1 3.5859 . A 16 GLY HAy H 1 4.0495 . A 16 GLY N N 15 115.3692 . A 17 GLY H H 1 7.8093 . A 17 GLY HAy H 1 4.4856 . A 17 GLY HAx H 1 3.6390 . A 17 GLY N N 15 108.0884 . A 18 THR H H 1 8.1869 . A 18 THR HA H 1 4.3297 . A 18 THR HB H 1 3.8452 . A 18 THR HG2% H 1 1.8333 . A 18 THR N N 15 121.0943 . A 19 PRO HA H 1 4.5120 . A 19 PRO HBy H 1 2.3714 . A 19 PRO HBx H 1 1.9876 . A 19 PRO HDx H 1 3.8822 . A 19 PRO HDy H 1 3.8822 . A 19 PRO HGx H 1 2.0691 . A 19 PRO HGy H 1 2.0691 . A 20 CYS H H 1 8.9101 . A 20 CYS HA H 1 4.7599 . A 20 CYS HBx H 1 2.8123 . A 20 CYS HBy H 1 3.0389 . A 20 CYS N N 15 119.2434 . A 21 CYS H H 1 8.5595 . A 21 CYS HA H 1 4.6485 . A 21 CYS HBy H 1 3.4918 . A 21 CYS HBx H 1 2.6232 . A 21 CYS N N 15 119.8154 . A 22 ARG H H 1 7.9219 . A 22 ARG HA H 1 4.3438 . A 22 ARG HBx H 1 1.3853 . A 22 ARG HBy H 1 1.8224 . A 22 ARG HDx H 1 3.0175 . A 22 ARG HGx H 1 1.3026 . A 22 ARG N N 15 117.3750 . A 23 GLY H H 1 8.5663 . A 23 GLY HAx H 1 3.7303 . A 23 GLY HAy H 1 3.9839 . A 23 GLY N N 15 107.0516 . A 24 ARG H H 1 7.3864 . A 24 ARG HA H 1 3.9172 . A 24 ARG HBy H 1 2.3327 . A 24 ARG HBx H 1 1.7883 . A 24 ARG HDx H 1 2.8200 . A 24 ARG HDy H 1 3.0129 . A 24 ARG HGx H 1 1.4837 . A 24 ARG HGy H 1 1.4837 . A 24 ARG N N 15 118.9038 . A 25 GLY H H 1 9.2323 . A 25 GLY HAy H 1 4.1750 . A 25 GLY HAx H 1 3.4925 . A 25 GLY N N 15 110.4675 . A 26 CYS H H 1 8.4616 . A 26 CYS HA H 1 4.8786 . A 26 CYS HBy H 1 3.1305 . A 26 CYS HBx H 1 2.9900 . A 26 CYS N N 15 122.3530 . A 27 ILE H H 1 8.8656 . A 27 ILE HA H 1 4.5600 . A 27 ILE HB H 1 2.1097 . A 27 ILE HD1% H 1 0.8655 . A 27 ILE HG1y H 1 1.6455 . A 27 ILE HG1x H 1 0.8655 . A 27 ILE HG2% H 1 1.0613 . A 27 ILE N N 15 130.2209 . A 28 CYS H H 1 8.9905 . A 28 CYS HA H 1 4.9897 . A 28 CYS HBx H 1 2.9595 . A 28 CYS HBy H 1 2.9595 . A 28 CYS N N 15 127.5748 . A 29 SER H H 1 8.8177 . A 29 SER HA H 1 4.6041 . A 29 SER HBy H 1 4.2930 . A 29 SER HBx H 1 4.0465 . A 29 SER N N 15 116.9574 . A 30 ILE H H 1 8.6494 . A 30 ILE HA H 1 4.1291 . A 30 ILE HB H 1 1.9865 . A 30 ILE HD1% H 1 0.9517 . A 30 ILE HG1x H 1 1.5421 . A 30 ILE HG1y H 1 1.5421 . A 30 ILE HG2% H 1 1.0187 . A 30 ILE N N 15 120.0765 . A 31 MET H H 1 8.0743 . A 31 MET HA H 1 4.4876 . A 31 MET HBy H 1 2.2753 . A 31 MET HBx H 1 1.9801 . A 31 MET HGy H 1 2.6429 . A 31 MET HGx H 1 2.5386 . A 31 MET N N 15 121.6233 . A 32 GLY H H 1 8.2328 . A 32 GLY HAx H 1 3.5276 . A 32 GLY HAy H 1 4.1249 . A 32 GLY N N 15 107.2018 . A 33 THR H H 1 7.5143 . A 33 THR HA H 1 4.6183 . A 33 THR HB H 1 4.3108 . A 33 THR HG2% H 1 1.1096 . A 33 THR N N 15 109.6658 . A 34 ASN H H 1 8.7500 . A 34 ASN HA H 1 4.4714 . A 34 ASN HBy H 1 3.0389 . A 34 ASN HBx H 1 2.7583 . A 34 ASN HD2y H 1 7.4603 . A 34 ASN HD2x H 1 6.8681 . A 34 ASN N N 15 118.4994 . A 34 ASN ND2 N 15 112.2434 . A 35 CYS H H 1 8.3741 . A 35 CYS HA H 1 5.0854 . A 35 CYS HBx H 1 2.7946 . A 35 CYS HBy H 1 3.6232 . A 35 CYS N N 15 119.7126 . A 36 GLU H H 1 8.7123 . A 36 GLU HA H 1 5.0882 . A 36 GLU HBx H 1 1.8030 . A 36 GLU HBy H 1 1.8030 . A 36 GLU HGx H 1 2.3044 . A 36 GLU HGy H 1 2.3044 . A 36 GLU N N 15 122.0628 . A 37 CYS H H 1 8.9394 . A 37 CYS HA H 1 5.2184 . A 37 CYS HBx H 1 2.7036 . A 37 CYS HBy H 1 2.7062 . A 37 CYS N N 15 120.7879 . A 38 LYS H H 1 8.0890 . A 38 LYS HA H 1 5.2174 . A 38 LYS HBx H 1 1.8586 . A 38 LYS HBy H 1 1.9460 . A 38 LYS HDy H 1 1.8158 . A 38 LYS HDx H 1 1.7578 . A 38 LYS HEy H 1 3.1222 . A 38 LYS HEx H 1 2.9839 . A 38 LYS HGx H 1 1.6404 . A 38 LYS HGy H 1 1.6404 . A 38 LYS N N 15 127.8244 . A 39 PRO HA H 1 4.5861 . A 39 PRO HBx H 1 2.0070 . A 39 PRO HBy H 1 2.0070 . A 39 PRO HDx H 1 3.3783 . A 39 PRO HDy H 1 3.3783 . A 39 PRO HGx H 1 2.1120 . A 39 PRO HGy H 1 2.1120 . A 40 ARG H H 1 8.0520 . A 40 ARG HA H 1 3.9022 . A 40 ARG HBy H 1 2.1079 . A 40 ARG HBx H 1 1.7924 . A 40 ARG HDx H 1 3.2148 . A 40 ARG HDy H 1 3.2148 . A 40 ARG HGx H 1 1.5132 . A 40 ARG HGy H 1 1.6855 . A 40 ARG N N 15 124.4475 . A 41 LEU H H 1 8.7052 . A 41 LEU HA H 1 3.8262 . A 41 LEU HBx H 1 1.6819 . A 41 LEU HBy H 1 1.6819 . A 41 LEU HDx% H 1 0.8648 . A 41 LEU HDy% H 1 0.9244 . A 41 LEU HG H 1 1.6819 . A 41 LEU N N 15 118.9665 . A 42 ILE H H 1 8.2238 . A 42 ILE HA H 1 4.3380 . A 42 ILE HB H 1 2.0242 . A 42 ILE HD1% H 1 0.8670 . A 42 ILE HG1x H 1 1.3369 . A 42 ILE HG1y H 1 1.3369 . A 42 ILE HG2% H 1 0.9211 . A 42 ILE N N 15 133.8260 . A 43 MET H H 1 8.2227 . A 43 MET HA H 1 4.0554 . A 43 MET HBy H 1 2.1081 . A 43 MET HBx H 1 2.0242 . A 43 MET HGy H 1 2.6189 . A 43 MET HGx H 1 2.5199 . A 43 MET N N 15 117.9553 . A 44 GLU H H 1 8.6006 . A 44 GLU HA H 1 4.3226 . A 44 GLU HBy H 1 2.2290 . A 44 GLU HBx H 1 1.8421 . A 44 GLU HGy H 1 2.6095 . A 44 GLU HGx H 1 2.2290 . A 44 GLU N N 15 116.3950 . A 45 GLY H H 1 8.1893 . A 45 GLY HAx H 1 3.7778 . A 45 GLY HAy H 1 3.9707 . A 45 GLY N N 15 110.3360 . A 46 LEU H H 1 7.7311 . A 46 LEU HA H 1 4.3615 . A 46 LEU HBx H 1 1.8139 . A 46 LEU HBy H 1 1.9476 . A 46 LEU HDx% H 1 0.8869 . A 46 LEU HDy% H 1 0.9050 . A 46 LEU HG H 1 1.6838 . A 46 LEU N N 15 116.7448 . A 47 GLY H H 1 7.6964 . A 47 GLY HAy H 1 4.1267 . A 47 GLY HAx H 1 3.9501 . A 47 GLY N N 15 104.0132 . A 48 LEU H H 1 8.1232 . A 48 LEU HA H 1 4.2484 . A 48 LEU HBx H 1 1.8105 . A 48 LEU HBy H 1 1.8354 . A 48 LEU HDx% H 1 0.8765 . A 48 LEU HDy% H 1 0.8789 . A 48 LEU HG H 1 1.6369 . A 48 LEU N N 15 118.1428 . A 49 ALA H H 1 7.5137 . A 49 ALA HA H 1 4.0470 . A 49 ALA HB% H 1 1.3347 . A 49 ALA N N 15 125.0328 . 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 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 14 LYS HA A 15 TRP H 1.0 0.0 3.17 2 2 A 14 LYS H A 14 LYS HBx 1.0 0.0 4.17 3 3 A 14 LYS H A 14 LYS HBy 1.0 0.0 4.17 4 4 A 28 CYS H A 28 CYS HBx 1.0 0.0 3.57 5 5 A 35 CYS HA A 36 GLU H 1.0 0.0 3.47 6 6 A 36 GLU H A 36 GLU HGx 1.0 0.0 5.50 7 7 A 36 GLU H A 36 GLU HGy 1.0 0.0 5.50 8 8 A 35 CYS H A 35 CYS HBy 1.0 0.0 3.80 9 9 A 35 CYS H A 35 CYS HBx 1.0 0.0 3.80 10 10 A 33 THR H A 33 THR HG2% 1.0 0.0 4.10 11 11 A 33 THR H A 33 THR HG2% 1.0 0.0 4.32 12 12 A 30 ILE H A 30 ILE HB 1.0 0.0 3.64 13 13 A 30 ILE H A 30 ILE HG1x 1.0 0.0 5.41 14 14 A 30 ILE H A 30 ILE HG1y 1.0 0.0 5.41 15 15 A 30 ILE H A 30 ILE HG2% 1.0 0.0 4.04 16 16 A 30 ILE H A 30 ILE HG2% 1.0 0.0 3.73 17 17 A 31 MET H A 31 MET HGy 1.0 0.0 4.46 18 18 A 31 MET H A 31 MET HGx 1.0 0.0 4.37 19 19 A 15 TRP HA A 16 GLY H 1.0 0.0 3.35 20 20 A 34 ASN H A 34 ASN HBy 1.0 0.0 4.08 21 21 A 34 ASN H A 34 ASN HBx 1.0 0.0 4.08 22 22 A 6 ILE H A 6 ILE HD1% 1.0 0.0 4.07 23 23 A 6 ILE H A 6 ILE HG2% 1.0 0.0 4.90 24 24 A 6 ILE H A 6 ILE HG2% 1.0 0.0 5.50 25 25 A 6 ILE H A 6 ILE HG2% 1.0 0.0 5.46 26 26 A 6 ILE H A 6 ILE HG1x 1.0 0.0 4.10 27 27 A 7 ALA HB% A 8 LYS H 1.0 0.0 4.25 28 28 A 7 ALA HB% A 8 LYS H 1.0 0.0 4.76 29 29 A 7 ALA HB% A 8 LYS H 1.0 0.0 4.76 30 30 A 8 LYS H A 8 LYS HDy 1.0 0.0 5.50 31 31 A 8 LYS H A 8 LYS HDx 1.0 0.0 5.50 32 32 A 8 LYS H A 8 LYS HBy 1.0 0.0 3.77 33 33 A 26 CYS H A 26 CYS HBy 1.0 0.0 3.69 34 34 A 26 CYS H A 26 CYS HBx 1.0 0.0 3.69 35 35 A 20 CYS H A 19 PRO HBx 1.0 0.0 4.33 36 36 A 7 ALA HB% A 7 ALA H 1.0 0.0 3.84 37 37 A 49 ALA H A 49 ALA HB% 1.0 0.0 3.76 38 38 A 9 ASP H A 9 ASP HBx 1.0 0.0 4.08 39 39 A 9 ASP H A 9 ASP HBy 1.0 0.0 4.08 40 40 A 12 ARG H A 12 ARG HGx 1.0 0.0 5.50 41 41 A 12 ARG H A 12 ARG HGy 1.0 0.0 5.50 42 42 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.80 43 43 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.80 44 44 A 34 ASN H A 29 SER HBx 1.0 0.0 4.60 45 45 A 20 CYS H A 19 PRO HA 1.0 0.0 3.30 46 46 A 27 ILE H A 27 ILE HB 1.0 0.0 3.83 47 47 A 27 ILE H A 27 ILE HG2% 1.0 0.0 3.55 48 48 A 27 ILE H A 27 ILE HG2% 1.0 0.0 4.97 49 49 A 27 ILE H A 27 ILE HG2% 1.0 0.0 5.20 50 50 A 9 ASP H A 8 LYS HDy 1.0 0.0 5.50 51 51 A 9 ASP H A 8 LYS HDx 1.0 0.0 5.50 52 52 A 28 CYS H A 27 ILE HG2% 1.0 0.0 4.32 53 53 A 41 LEU H A 41 LEU HDx% 1.0 0.0 3.60 54 54 A 12 ARG HA A 13 CYS H 1.0 0.0 3.36 55 55 A 4 LYS HA A 5 CYS H 1.0 0.0 3.53 56 56 A 14 LYS H A 13 CYS HA 1.0 0.0 3.45 57 57 A 42 ILE H A 41 LEU HBx 1.0 0.0 5.07 58 58 A 42 ILE H A 41 LEU HBy 1.0 0.0 5.07 59 59 A 42 ILE H A 42 ILE HB 1.0 0.0 4.10 60 60 A 42 ILE HB A 43 MET H 1.0 0.0 4.52 61 61 A 43 MET H A 43 MET HGx 1.0 0.0 4.78 62 62 A 43 MET H A 43 MET HGy 1.0 0.0 4.78 63 63 A 30 ILE HG2% A 31 MET H 1.0 0.0 3.47 64 64 A 40 ARG H A 40 ARG HGx 1.0 0.0 3.57 65 65 A 40 ARG H A 40 ARG HGy 1.0 0.0 3.57 66 66 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.85 67 67 A 15 TRP HA A 15 TRP HD1 1.0 0.0 3.99 68 68 A 12 ARG H A 13 CYS H 1.0 0.0 5.42 69 69 A 12 ARG H A 11 GLY H 1.0 0.0 4.59 70 70 A 30 ILE H A 29 SER HBy 1.0 0.0 3.93 71 71 A 15 TRP H A 15 TRP HD1 1.0 0.0 4.43 72 72 A 16 GLY H A 15 TRP HD1 1.0 0.0 5.50 73 73 A 28 CYS HBy A 32 GLY H 1.0 0.0 3.95 74 74 A 18 THR H A 18 THR HG2% 1.0 0.0 4.73 75 75 A 49 ALA H A 48 LEU HG 1.0 0.0 4.12 76 76 A 33 THR H A 34 ASN HA 1.0 0.0 4.83 77 77 A 5 CYS HA A 21 CYS H 1.0 0.0 5.32 78 78 A 3 LYS HA A 4 LYS H 1.0 0.0 3.21 79 79 A 9 ASP H A 8 LYS HA 1.0 0.0 3.42 80 80 A 33 THR HG2% A 34 ASN H 1.0 0.0 4.05 81 81 A 41 LEU H A 42 ILE H 1.0 0.0 4.48 82 82 A 31 MET H A 32 GLY H 1.0 0.0 4.27 83 83 A 33 THR HG2% A 32 GLY H 1.0 0.0 4.78 84 84 A 33 THR HG2% A 32 GLY H 1.0 0.0 5.28 85 85 A 33 THR H A 32 GLY H 1.0 0.0 3.97 86 86 A 21 CYS H A 20 CYS HA 1.0 0.0 3.55 87 87 A 24 ARG H A 23 GLY H 1.0 0.0 4.31 88 88 A 20 CYS H A 21 CYS H 1.0 0.0 5.50 89 89 A 33 THR H A 28 CYS HBy 1.0 0.0 4.32 90 90 A 35 CYS H A 34 ASN HA 1.0 0.0 3.42 91 91 A 5 CYS H A 4 LYS H 1.0 0.0 5.50 92 92 A 32 GLY H A 31 MET HA 1.0 0.0 3.52 93 93 A 49 ALA H A 44 GLU H 1.0 0.0 5.50 94 94 A 44 GLU HA A 44 GLU HGy 1.0 0.0 3.72 95 95 A 44 GLU HA A 44 GLU HGx 1.0 0.0 3.72 96 96 A 33 THR H A 31 MET HBy 1.0 0.0 5.47 97 97 A 18 THR HG2% A 18 THR HA 1.0 0.0 3.43 98 98 A 6 ILE H A 5 CYS HBy 1.0 0.0 4.06 99 99 A 20 CYS HA A 6 ILE HD1% 1.0 0.0 3.83 100 100 A 7 ALA HB% A 6 ILE HA 1.0 0.0 5.50 101 101 A 7 ALA HB% A 6 ILE HA 1.0 0.0 5.50 102 102 A 7 ALA HB% A 6 ILE HA 1.0 0.0 5.50 103 103 A 6 ILE H A 5 CYS HBx 1.0 0.0 4.06 104 104 A 6 ILE H A 5 CYS H 1.0 0.0 4.85 105 105 A 6 ILE H A 21 CYS H 1.0 0.0 5.28 106 106 A 9 ASP H A 10 TYR H 1.0 0.0 5.46 107 107 A 8 LYS H A 7 ALA H 1.0 0.0 4.59 108 108 A 8 LYS H A 8 LYS HBx 1.0 0.0 3.77 109 109 A 8 LYS HA A 8 LYS HDy 1.0 0.0 4.62 110 110 A 8 LYS HA A 8 LYS HDx 1.0 0.0 4.62 111 111 A 8 LYS H A 9 ASP H 1.0 0.0 4.59 112 112 A 9 ASP H A 10 TYR HDx 1.0 0.0 5.50 113 113 A 35 CYS H A 13 CYS H 1.0 0.0 5.50 114 114 A 13 CYS H A 36 GLU HA 1.0 0.0 3.81 115 115 A 13 CYS H A 36 GLU HGx 1.0 0.0 5.50 116 116 A 13 CYS H A 36 GLU HGy 1.0 0.0 5.50 117 117 A 13 CYS H A 35 CYS HBx 1.0 0.0 5.50 118 118 A 14 LYS H A 13 CYS H 1.0 0.0 5.44 119 119 A 14 LYS H A 17 GLY H 1.0 0.0 5.50 120 120 A 15 TRP H A 17 GLY H 1.0 0.0 5.50 121 121 A 15 TRP H A 16 GLY H 1.0 0.0 5.50 122 122 A 16 GLY H A 17 GLY H 1.0 0.0 4.02 123 123 A 15 TRP HA A 15 TRP HE3 1.0 0.0 5.00 124 124 A 14 LYS HA A 15 TRP HD1 1.0 0.0 5.47 125 125 A 16 GLY H A 15 TRP HBx 1.0 0.0 4.55 126 126 A 16 GLY H A 15 TRP HBy 1.0 0.0 4.55 127 127 A 35 CYS H A 34 ASN H 1.0 0.0 4.28 128 128 A 20 CYS H A 20 CYS HBy 1.0 0.0 4.04 129 129 A 20 CYS H A 19 PRO HBy 1.0 0.0 4.33 130 130 A 20 CYS H A 19 PRO HGx 1.0 0.0 5.50 131 131 A 20 CYS H A 19 PRO HGy 1.0 0.0 5.50 132 132 A 11 GLY H A 37 CYS HBx 1.0 0.0 5.50 133 133 A 11 GLY H A 37 CYS HBy 1.0 0.0 5.50 134 134 A 27 ILE H A 26 CYS HA 1.0 0.0 3.52 135 135 A 27 ILE H A 38 LYS H 1.0 0.0 4.99 136 136 A 28 CYS H A 27 ILE HA 1.0 0.0 3.29 137 137 A 28 CYS H A 27 ILE HG1y 1.0 0.0 4.47 138 138 A 28 CYS H A 27 ILE HB 1.0 0.0 4.79 139 139 A 28 CYS HBy A 29 SER H 1.0 0.0 3.46 140 140 A 20 CYS H A 20 CYS HBx 1.0 0.0 4.04 141 141 A 33 THR H A 29 SER H 1.0 0.0 4.64 142 142 A 32 GLY H A 29 SER H 1.0 0.0 5.35 143 143 A 30 ILE H A 29 SER H 1.0 0.0 5.50 144 144 A 30 ILE H A 29 SER HBx 1.0 0.0 3.93 145 145 A 30 ILE H A 31 MET H 1.0 0.0 4.44 146 146 A 30 ILE HG2% A 30 ILE HA 1.0 0.0 3.90 147 147 A 30 ILE HA A 30 ILE HD1% 1.0 0.0 3.47 148 148 A 31 MET HGy A 31 MET HA 1.0 0.0 3.68 149 149 A 31 MET HGx A 31 MET HA 1.0 0.0 3.60 150 150 A 34 ASN H A 29 SER HBy 1.0 0.0 4.60 151 151 A 34 ASN H A 33 THR HB 1.0 0.0 5.05 152 152 A 33 THR H A 34 ASN H 1.0 0.0 5.35 153 153 A 35 CYS H A 28 CYS HA 1.0 0.0 4.52 154 154 A 36 GLU H A 37 CYS H 1.0 0.0 5.50 155 155 A 37 CYS H A 36 GLU HBx 1.0 0.0 4.85 156 156 A 37 CYS H A 36 GLU HBy 1.0 0.0 4.85 157 157 A 37 CYS H A 36 GLU HGx 1.0 0.0 5.50 158 158 A 37 CYS H A 36 GLU HGy 1.0 0.0 5.50 159 159 A 37 CYS HA A 26 CYS HBx 1.0 0.0 5.14 160 160 A 38 LYS HA A 38 LYS HDx 1.0 0.0 5.50 161 161 A 38 LYS HA A 38 LYS HDy 1.0 0.0 5.50 162 162 A 13 CYS H A 37 CYS H 1.0 0.0 5.40 163 163 A 11 GLY H A 37 CYS H 1.0 0.0 5.50 164 164 A 38 LYS H A 37 CYS H 1.0 0.0 5.50 165 165 A 35 CYS HA A 29 SER H 1.0 0.0 4.32 166 166 A 26 CYS HA A 38 LYS H 1.0 0.0 4.33 167 167 A 40 ARG HA A 40 ARG HGy 1.0 0.0 3.98 168 168 A 40 ARG HA A 40 ARG HGx 1.0 0.0 3.98 169 169 A 41 LEU HA A 41 LEU HDx% 1.0 0.0 3.85 170 170 A 41 LEU H A 40 ARG H 1.0 0.0 4.81 171 171 A 43 MET HA A 43 MET HGy 1.0 0.0 3.95 172 172 A 43 MET HA A 43 MET HGx 1.0 0.0 3.95 173 173 A 33 THR H A 31 MET HGx 1.0 0.0 5.50 174 174 A 49 ALA H A 43 MET HGx 1.0 0.0 5.50 175 175 A 49 ALA H A 43 MET HGy 1.0 0.0 5.50 176 176 A 20 CYS H A 5 CYS HA 1.0 0.0 5.50 177 177 A 13 CYS HA A 37 CYS H 1.0 0.0 5.50 178 178 A 48 LEU H A 49 ALA HB% 1.0 0.0 4.40 179 179 A 49 ALA H A 48 LEU H 1.0 0.0 3.67 180 180 A 48 LEU H A 47 GLY H 1.0 0.0 3.99 181 181 A 48 LEU HG A 48 LEU HA 1.0 0.0 2.87 182 182 A 35 CYS H A 33 THR H 1.0 0.0 5.50 183 183 A 46 LEU H A 46 LEU HBy 1.0 0.0 4.10 184 184 A 46 LEU H A 46 LEU HBx 1.0 0.0 4.10 185 185 A 46 LEU H A 46 LEU HG 1.0 0.0 3.36 186 186 A 44 GLU H A 45 GLY H 1.0 0.0 4.84 187 187 A 29 SER HBx A 34 ASN HBx 1.0 0.0 4.90 188 188 A 15 TRP H A 15 TRP HE3 1.0 0.0 5.50 189 189 A 30 ILE HG2% A 30 ILE HA 1.0 0.0 3.84 190 190 A 30 ILE HG2% A 30 ILE HG1x 1.0 0.0 3.92 191 191 A 30 ILE HG2% A 30 ILE HG1y 1.0 0.0 3.92 192 192 A 30 ILE HG2% A 31 MET HGx 1.0 0.0 4.48 193 193 A 30 ILE HG2% A 31 MET HGx 1.0 0.0 4.99 194 194 A 27 ILE HG2% A 27 ILE HA 1.0 0.0 3.81 195 195 A 28 CYS H A 27 ILE HG2% 1.0 0.0 4.96 196 196 A 13 CYS H A 35 CYS HBy 1.0 0.0 5.50 197 197 A 12 ARG H A 36 GLU HA 1.0 0.0 5.48 198 198 A 35 CYS H A 33 THR HA 1.0 0.0 3.80 199 199 A 34 ASN HBy A 29 SER HBy 1.0 0.0 4.90 200 200 A 31 MET H A 32 GLY HAx 1.0 0.0 5.50 201 201 A 33 THR H A 28 CYS HA 1.0 0.0 5.46 202 202 A 32 GLY H A 29 SER HA 1.0 0.0 4.53 203 203 A 30 ILE HG2% A 32 GLY H 1.0 0.0 5.36 204 204 A 30 ILE HG2% A 31 MET H 1.0 0.0 4.74 205 205 A 33 THR H A 31 MET HBx 1.0 0.0 5.47 206 206 A 26 CYS H A 37 CYS HA 1.0 0.0 5.50 207 207 A 46 LEU HG A 46 LEU HA 1.0 0.0 2.88 208 208 A 30 ILE HG2% A 31 MET HA 1.0 0.0 5.50 209 209 A 30 ILE HG2% A 31 MET HA 1.0 0.0 5.50 210 210 A 30 ILE HG2% A 29 SER HA 1.0 0.0 4.88 211 211 A 48 LEU HG A 49 ALA HA 1.0 0.0 4.20 212 212 A 30 ILE HG2% A 31 MET HGy 1.0 0.0 5.08 213 213 A 30 ILE HG2% A 31 MET HGy 1.0 0.0 5.48 214 214 A 33 THR HG2% A 31 MET HBx 1.0 0.0 4.94 215 215 A 18 THR H A 17 GLY H 1.0 0.0 4.87 216 216 A 12 ARG H A 37 CYS H 1.0 0.0 4.78 217 217 A 27 ILE HG2% A 28 CYS HA 1.0 0.0 5.04 218 218 A 40 ARG HA A 41 LEU HDx% 1.0 0.0 3.86 219 219 A 49 ALA HA A 48 LEU HDy% 1.0 0.0 3.80 220 220 A 6 ILE HG1x A 21 CYS H 1.0 0.0 4.66 221 221 A 49 ALA H A 48 LEU HDy% 1.0 0.0 3.46 222 222 A 8 LYS H A 8 LYS HEx 1.0 0.0 5.50 223 223 A 8 LYS H A 8 LYS HEy 1.0 0.0 5.50 224 224 A 37 CYS HA A 26 CYS HBy 1.0 0.0 5.14 225 225 A 9 ASP HA A 22 ARG H 1.0 0.0 3.59 226 226 A 43 MET HA A 46 LEU H 1.0 0.0 5.50 227 227 A 40 ARG H A 40 ARG HDx 1.0 0.0 5.50 228 228 A 40 ARG H A 40 ARG HDy 1.0 0.0 5.50 229 229 A 49 ALA H A 46 LEU H 1.0 0.0 5.50 230 230 A 49 ALA H A 47 GLY H 1.0 0.0 5.50 231 231 A 6 ILE HG1x A 5 CYS HA 1.0 0.0 4.32 232 232 A 36 GLU H A 27 ILE H 1.0 0.0 5.17 233 233 A 6 ILE H A 21 CYS HA 1.0 0.0 5.45 234 234 A 35 CYS H A 29 SER H 1.0 0.0 4.68 235 235 A 35 CYS HA A 33 THR H 1.0 0.0 5.50 236 236 A 16 GLY H A 15 TRP HE3 1.0 0.0 5.50 237 237 A 27 ILE H A 37 CYS HA 1.0 0.0 3.93 238 238 A 36 GLU H A 37 CYS HA 1.0 0.0 5.30 239 239 A 36 GLU H A 28 CYS HA 1.0 0.0 3.80 240 240 A 36 GLU H A 26 CYS HA 1.0 0.0 4.94 241 241 A 21 CYS H A 6 ILE HD1% 1.0 0.0 3.84 242 242 A 21 CYS H A 6 ILE HD1% 1.0 0.0 4.03 243 243 A 23 GLY H A 24 ARG HA 1.0 0.0 5.30 244 244 A 42 ILE H A 42 ILE HG1x 1.0 0.0 4.98 245 245 A 42 ILE H A 42 ILE HG1y 1.0 0.0 4.98 246 246 A 18 THR H A 18 THR HG2% 1.0 0.0 3.72 247 247 A 38 LYS H A 38 LYS HEy 1.0 0.0 5.50 248 248 A 14 LYS HA A 17 GLY H 1.0 0.0 5.04 249 249 A 15 TRP HD1 A 26 CYS HBx 1.0 0.0 4.11 250 250 A 15 TRP HD1 A 26 CYS HBy 1.0 0.0 4.11 251 251 A 11 GLY H A 37 CYS HA 1.0 0.0 5.50 252 252 A 11 GLY H A 38 LYS HA 1.0 0.0 5.50 253 253 A 26 CYS H A 27 ILE HB 1.0 0.0 5.50 254 254 A 33 THR HG2% A 31 MET HBy 1.0 0.0 4.94 255 255 A 27 ILE HG2% A 38 LYS HEx 1.0 0.0 4.98 256 256 A 27 ILE HG2% A 38 LYS HEy 1.0 0.0 4.98 257 257 A 14 LYS H A 18 THR H 1.0 0.0 5.50 258 258 A 6 ILE H A 20 CYS H 1.0 0.0 5.50 259 259 A 38 LYS H A 25 GLY H 1.0 0.0 5.30 260 260 A 44 GLU H A 46 LEU H 1.0 0.0 5.50 261 261 A 11 GLY H A 38 LYS H 1.0 0.0 5.50 262 262 A 28 CYS H A 29 SER H 1.0 0.0 5.50 263 263 A 28 CYS H A 27 ILE H 1.0 0.0 5.50 264 264 A 28 CYS H A 27 ILE HG1x 1.0 0.0 4.47 265 265 A 14 LYS H A 17 GLY HAx 1.0 0.0 5.50 266 266 A 36 GLU H A 13 CYS H 1.0 0.0 5.50 267 267 A 27 ILE HB A 27 ILE HD1% 1.0 0.0 3.40 268 268 A 27 ILE HB A 27 ILE HD1% 1.0 0.0 3.44 269 269 A 21 CYS HA A 5 CYS HBx 1.0 0.0 3.93 270 270 A 17 GLY HAx A 14 LYS HBy 1.0 0.0 5.07 271 271 A 17 GLY HAx A 14 LYS HBx 1.0 0.0 5.07 272 272 A 29 SER HBy A 34 ASN HBx 1.0 0.0 4.90 273 273 A 10 TYR HDx A 9 ASP HA 1.0 0.0 4.66 274 274 A 11 GLY H A 10 TYR HDx 1.0 0.0 5.50 275 275 A 24 ARG H A 25 GLY H 1.0 0.0 5.50 276 276 A 26 CYS H A 27 ILE H 1.0 0.0 4.79 277 277 A 26 CYS H A 25 GLY H 1.0 0.0 4.44 278 278 A 30 ILE HG2% A 31 MET HGx 1.0 0.0 5.10 279 279 A 33 THR HG2% A 34 ASN HA 1.0 0.0 4.51 280 280 A 30 ILE HA A 29 SER HA 1.0 0.0 5.42 281 281 A 33 THR HA A 32 GLY HAy 1.0 0.0 5.50 282 282 A 38 LYS H A 39 PRO HDx 1.0 0.0 5.50 283 283 A 38 LYS H A 39 PRO HDy 1.0 0.0 5.50 284 284 A 27 ILE HG2% A 26 CYS HA 1.0 0.0 4.89 285 285 A 31 MET HGy A 30 ILE HA 1.0 0.0 5.50 286 286 A 6 ILE HG2% A 21 CYS H 1.0 0.0 5.50 287 287 A 6 ILE HG2% A 21 CYS H 1.0 0.0 5.50 288 288 A 6 ILE HG2% A 21 CYS H 1.0 0.0 5.50 289 289 A 12 ARG HA A 12 ARG HDx 1.0 0.0 5.50 290 290 A 12 ARG HA A 12 ARG HDy 1.0 0.0 5.50 291 291 A 15 TRP HD1 A 26 CYS HA 1.0 0.0 5.50 292 292 A 21 CYS HA A 5 CYS HBy 1.0 0.0 3.93 293 293 A 13 CYS H A 26 CYS HA 1.0 0.0 5.50 294 294 A 27 ILE H A 25 GLY HAy 1.0 0.0 5.50 295 295 A 41 LEU HA A 41 LEU HDx% 1.0 0.0 5.04 296 296 A 17 GLY H A 15 TRP HBx 1.0 0.0 5.50 297 297 A 17 GLY H A 15 TRP HBy 1.0 0.0 5.50 298 298 A 28 CYS H A 32 GLY HAx 1.0 0.0 5.50 299 299 A 42 ILE HA A 42 ILE HG2% 1.0 0.0 4.12 300 300 A 46 LEU H A 45 GLY H 1.0 0.0 3.54 301 301 A 42 ILE H A 42 ILE HD1% 1.0 0.0 4.00 302 302 A 41 LEU H A 41 LEU HDx% 1.0 0.0 3.70 303 303 A 44 GLU H A 49 ALA HB% 1.0 0.0 5.16 304 304 A 23 GLY H A 24 ARG HBx 1.0 0.0 5.01 305 305 A 42 ILE H A 42 ILE HG2% 1.0 0.0 3.24 306 306 A 49 ALA HA A 48 LEU HDy% 1.0 0.0 3.52 307 307 A 48 LEU H A 48 LEU HDy% 1.0 0.0 4.05 308 308 A 46 LEU H A 46 LEU HDx% 1.0 0.0 3.14 309 309 A 46 LEU H A 46 LEU HDx% 1.0 0.0 3.31 310 310 A 15 TRP HA A 15 TRP HE1 1.0 0.0 5.50 311 311 A 7 ALA H A 6 ILE HD1% 1.0 0.0 3.89 312 312 A 8 LYS H A 6 ILE HD1% 1.0 0.0 3.56 313 313 A 38 LYS H A 38 LYS HEx 1.0 0.0 5.50 314 314 A 26 CYS H A 15 TRP HD1 1.0 0.0 5.50 315 315 A 10 TYR H A 10 TYR HDx 1.0 0.0 5.50 316 316 A 33 THR HG2% A 31 MET H 1.0 0.0 5.50 317 317 A 33 THR HG2% A 31 MET H 1.0 0.0 5.50 318 318 A 15 TRP HE1 A 26 CYS HBx 1.0 0.0 5.50 319 319 A 15 TRP HE1 A 26 CYS HBy 1.0 0.0 5.50 320 320 A 31 MET HGx A 30 ILE HA 1.0 0.0 5.49 321 321 A 32 GLY H A 28 CYS HA 1.0 0.0 5.50 322 322 A 47 GLY H A 48 LEU HA 1.0 0.0 5.10 323 323 A 26 CYS HA A 36 GLU HBx 1.0 0.0 5.50 324 324 A 26 CYS HA A 36 GLU HBy 1.0 0.0 5.50 325 325 A 43 MET HA A 48 LEU H 1.0 0.0 5.50 326 326 A 48 LEU H A 49 ALA HA 1.0 0.0 5.50 327 327 A 30 ILE H A 30 ILE HD1% 1.0 0.0 5.50 328 328 A 30 ILE H A 30 ILE HD1% 1.0 0.0 5.50 329 329 A 30 ILE H A 30 ILE HD1% 1.0 0.0 5.50 330 330 A 48 LEU H A 46 LEU HA 1.0 0.0 5.22 331 331 A 35 CYS H A 33 THR HG2% 1.0 0.0 5.50 332 332 A 6 ILE HD1% A 6 ILE HB 1.0 0.0 2.80 333 333 A 9 ASP HA A 10 TYR HEy 1.0 0.0 5.21 334 334 A 10 TYR HEy A 9 ASP HBy 1.0 0.0 4.61 335 335 A 10 TYR HEy A 9 ASP HBx 1.0 0.0 4.61 336 336 A 10 TYR HDx A 22 ARG H 1.0 0.0 5.50 337 337 A 22 ARG H A 10 TYR HEy 1.0 0.0 5.50 338 338 A 27 ILE H A 25 GLY HAx 1.0 0.0 5.50 339 339 A 6 ILE HD1% A 7 ALA HA 1.0 0.0 4.77 340 340 A 6 ILE HD1% A 7 ALA HA 1.0 0.0 5.17 341 341 A 29 SER HBx A 34 ASN HBy 1.0 0.0 4.90 342 342 A 10 TYR HEy A 22 ARG HA 1.0 0.0 5.50 343 343 A 4 LYS H A 4 LYS HBx 1.0 0.0 3.53 344 343 A 4 LYS H A 4 LYS HBy 1.0 0.0 3.53 345 344 A 4 LYS H A 4 LYS HGx 1.0 0.0 4.46 346 344 A 4 LYS H A 4 LYS HGy 1.0 0.0 4.46 347 345 A 4 LYS H A 4 LYS HDx 1.0 0.0 4.08 348 345 A 4 LYS H A 4 LYS HDy 1.0 0.0 4.08 349 346 A 4 LYS H A 4 LYS HEx 1.0 0.0 5.11 350 346 A 4 LYS H A 4 LYS HEy 1.0 0.0 5.11 351 347 A 4 LYS HA A 4 LYS HGx 1.0 0.0 3.53 352 347 A 4 LYS HA A 4 LYS HGy 1.0 0.0 3.53 353 348 A 4 LYS HA A 4 LYS HDx 1.0 0.0 3.56 354 348 A 4 LYS HA A 4 LYS HDy 1.0 0.0 3.56 355 349 A 5 CYS H A 4 LYS HBx 1.0 0.0 3.71 356 349 A 5 CYS H A 4 LYS HBy 1.0 0.0 3.71 357 350 A 5 CYS HA A 4 LYS HBx 1.0 0.0 4.39 358 350 A 5 CYS HA A 4 LYS HBy 1.0 0.0 4.39 359 351 A 5 CYS H A 4 LYS HGx 1.0 0.0 4.00 360 351 A 5 CYS H A 4 LYS HGy 1.0 0.0 4.00 361 352 A 5 CYS HA A 4 LYS HGx 1.0 0.0 4.65 362 352 A 5 CYS HA A 4 LYS HGy 1.0 0.0 4.65 363 353 A 5 CYS H A 5 CYS HBy 1.0 0.0 3.16 364 353 A 5 CYS H A 5 CYS HBx 1.0 0.0 3.16 365 354 A 5 CYS HA A 19 PRO HBy 1.0 0.0 4.36 366 354 A 5 CYS HA A 19 PRO HBx 1.0 0.0 4.36 367 355 A 5 CYS HA A 19 PRO HGy 1.0 0.0 4.63 368 355 A 5 CYS HA A 19 PRO HGx 1.0 0.0 4.63 369 356 A 5 CYS HA A 19 PRO HDx 1.0 0.0 4.91 370 356 A 5 CYS HA A 19 PRO HDy 1.0 0.0 4.91 371 357 A 6 ILE HG1x A 5 CYS HBy 1.0 0.0 4.73 372 357 A 6 ILE HG1x A 5 CYS HBx 1.0 0.0 4.73 373 358 A 5 CYS HBy A 19 PRO HDx 1.0 0.0 4.76 374 358 A 5 CYS HBx A 19 PRO HDx 1.0 0.0 4.76 375 358 A 19 PRO HDy A 5 CYS HBy 1.0 0.0 4.76 376 358 A 5 CYS HBx A 19 PRO HDy 1.0 0.0 4.76 377 359 A 21 CYS H A 5 CYS HBy 1.0 0.0 3.73 378 359 A 21 CYS H A 5 CYS HBx 1.0 0.0 3.73 379 360 A 21 CYS HA A 5 CYS HBy 1.0 0.0 3.35 380 360 A 21 CYS HA A 5 CYS HBx 1.0 0.0 3.35 381 361 A 6 ILE H A 19 PRO HBy 1.0 0.0 5.34 382 361 A 6 ILE H A 19 PRO HBx 1.0 0.0 5.34 383 362 A 6 ILE H A 19 PRO HGy 1.0 0.0 4.61 384 362 A 6 ILE H A 19 PRO HGx 1.0 0.0 4.61 385 363 A 8 LYS H A 8 LYS HBy 1.0 0.0 3.23 386 363 A 8 LYS H A 8 LYS HBx 1.0 0.0 3.23 387 364 A 8 LYS H A 8 LYS HDy 1.0 0.0 4.74 388 364 A 8 LYS H A 8 LYS HDx 1.0 0.0 4.74 389 365 A 8 LYS HA A 8 LYS HGx 1.0 0.0 3.33 390 365 A 8 LYS HA A 8 LYS HGy 1.0 0.0 3.33 391 366 A 8 LYS HA A 8 LYS HDy 1.0 0.0 3.98 392 366 A 8 LYS HA A 8 LYS HDx 1.0 0.0 3.98 393 367 A 8 LYS HA A 9 ASP HBx 1.0 0.0 4.88 394 367 A 8 LYS HA A 9 ASP HBy 1.0 0.0 4.88 395 368 A 9 ASP H A 8 LYS HBy 1.0 0.0 4.05 396 368 A 9 ASP H A 8 LYS HBx 1.0 0.0 4.05 397 369 A 9 ASP H A 8 LYS HGx 1.0 0.0 4.02 398 369 A 9 ASP H A 8 LYS HGy 1.0 0.0 4.02 399 370 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.51 400 370 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.51 401 371 A 9 ASP HA A 21 CYS HBy 1.0 0.0 4.10 402 371 A 9 ASP HA A 21 CYS HBx 1.0 0.0 4.10 403 372 A 9 ASP HA A 22 ARG HBx 1.0 0.0 4.04 404 372 A 9 ASP HA A 22 ARG HBy 1.0 0.0 4.04 405 373 A 10 TYR HDx A 9 ASP HBx 1.0 0.0 3.61 406 373 A 10 TYR HDx A 9 ASP HBy 1.0 0.0 3.61 407 374 A 10 TYR HEy A 9 ASP HBx 1.0 0.0 3.83 408 374 A 10 TYR HEy A 9 ASP HBy 1.0 0.0 3.83 409 375 A 22 ARG H A 9 ASP HBx 1.0 0.0 5.34 410 375 A 22 ARG H A 9 ASP HBy 1.0 0.0 5.34 411 376 A 10 TYR HDx A 10 TYR HBy 1.0 0.0 3.00 412 376 A 10 TYR HDx A 10 TYR HBx 1.0 0.0 3.00 413 377 A 10 TYR HDx A 22 ARG HBx 1.0 0.0 4.34 414 377 A 10 TYR HDx A 22 ARG HBy 1.0 0.0 4.34 415 378 A 10 TYR HEy A 22 ARG HBx 1.0 0.0 3.71 416 378 A 10 TYR HEy A 22 ARG HBy 1.0 0.0 3.71 417 379 A 11 GLY H A 37 CYS HBy 1.0 0.0 4.83 418 379 A 11 GLY H A 37 CYS HBx 1.0 0.0 4.83 419 380 A 12 ARG HA A 11 GLY HAy 1.0 0.0 5.30 420 380 A 12 ARG HA A 11 GLY HAx 1.0 0.0 5.30 421 381 A 37 CYS H A 11 GLY HAy 1.0 0.0 4.34 422 381 A 37 CYS H A 11 GLY HAx 1.0 0.0 4.34 423 382 A 11 GLY HAy A 37 CYS HBy 1.0 0.0 5.09 424 382 A 11 GLY HAx A 37 CYS HBy 1.0 0.0 5.09 425 382 A 37 CYS HBx A 11 GLY HAy 1.0 0.0 5.09 426 382 A 37 CYS HBx A 11 GLY HAx 1.0 0.0 5.09 427 383 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.01 428 383 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.01 429 384 A 13 CYS H A 35 CYS HBy 1.0 0.0 4.65 430 384 A 13 CYS H A 35 CYS HBx 1.0 0.0 4.65 431 385 A 14 LYS H A 13 CYS HBy 1.0 0.0 3.51 432 385 A 14 LYS H A 13 CYS HBx 1.0 0.0 3.51 433 386 A 37 CYS H A 13 CYS HBy 1.0 0.0 4.93 434 386 A 37 CYS H A 13 CYS HBx 1.0 0.0 4.93 435 387 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.42 436 387 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.42 437 388 A 14 LYS H A 14 LYS HGx 1.0 0.0 5.06 438 388 A 14 LYS H A 14 LYS HGy 1.0 0.0 5.06 439 389 A 14 LYS H A 14 LYS HDy 1.0 0.0 5.34 440 389 A 14 LYS H A 14 LYS HDx 1.0 0.0 5.34 441 390 A 14 LYS H A 35 CYS HBy 1.0 0.0 5.34 442 390 A 14 LYS H A 35 CYS HBx 1.0 0.0 5.34 443 391 A 14 LYS HA A 14 LYS HGx 1.0 0.0 3.60 444 391 A 14 LYS HA A 14 LYS HGy 1.0 0.0 3.60 445 392 A 17 GLY H A 14 LYS HBy 1.0 0.0 4.37 446 392 A 17 GLY H A 14 LYS HBx 1.0 0.0 4.37 447 393 A 17 GLY HAx A 14 LYS HBy 1.0 0.0 4.45 448 393 A 17 GLY HAx A 14 LYS HBx 1.0 0.0 4.45 449 394 A 15 TRP H A 14 LYS HGx 1.0 0.0 3.86 450 394 A 15 TRP H A 14 LYS HGy 1.0 0.0 3.86 451 395 A 17 GLY H A 14 LYS HGx 1.0 0.0 4.43 452 395 A 17 GLY H A 14 LYS HGy 1.0 0.0 4.43 453 396 A 15 TRP H A 14 LYS HDy 1.0 0.0 5.34 454 396 A 15 TRP H A 14 LYS HDx 1.0 0.0 5.34 455 397 A 17 GLY HAx A 14 LYS HDy 1.0 0.0 5.34 456 397 A 17 GLY HAx A 14 LYS HDx 1.0 0.0 5.34 457 398 A 15 TRP H A 15 TRP HBx 1.0 0.0 3.12 458 398 A 15 TRP H A 15 TRP HBy 1.0 0.0 3.12 459 399 A 15 TRP H A 26 CYS HBx 1.0 0.0 4.25 460 399 A 15 TRP H A 26 CYS HBy 1.0 0.0 4.25 461 400 A 15 TRP HD1 A 15 TRP HBx 1.0 0.0 3.37 462 400 A 15 TRP HD1 A 15 TRP HBy 1.0 0.0 3.37 463 401 A 15 TRP HE3 A 15 TRP HBx 1.0 0.0 3.37 464 401 A 15 TRP HE3 A 15 TRP HBy 1.0 0.0 3.37 465 402 A 16 GLY H A 15 TRP HBx 1.0 0.0 3.94 466 402 A 16 GLY H A 15 TRP HBy 1.0 0.0 3.94 467 403 A 15 TRP HD1 A 26 CYS HBx 1.0 0.0 3.46 468 403 A 15 TRP HD1 A 26 CYS HBy 1.0 0.0 3.46 469 404 A 15 TRP HE3 A 16 GLY HAx 1.0 0.0 5.26 470 404 A 15 TRP HE3 A 16 GLY HAy 1.0 0.0 5.26 471 405 A 20 CYS H A 19 PRO HBy 1.0 0.0 3.58 472 405 A 20 CYS H A 19 PRO HBx 1.0 0.0 3.58 473 406 A 20 CYS H A 19 PRO HGy 1.0 0.0 4.69 474 406 A 20 CYS H A 19 PRO HGx 1.0 0.0 4.69 475 407 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.52 476 407 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.52 477 408 A 22 ARG H A 22 ARG HGx 1.0 0.0 4.76 478 408 A 22 ARG H A 22 ARG HGy 1.0 0.0 4.76 479 409 A 22 ARG HA A 22 ARG HDx 1.0 0.0 4.32 480 409 A 22 ARG HA A 22 ARG HDy 1.0 0.0 4.32 481 410 A 23 GLY H A 22 ARG HBx 1.0 0.0 4.34 482 410 A 23 GLY H A 22 ARG HBy 1.0 0.0 4.34 483 411 A 24 ARG H A 24 ARG HGx 1.0 0.0 3.59 484 411 A 24 ARG H A 24 ARG HGy 1.0 0.0 3.59 485 412 A 24 ARG H A 24 ARG HDx 1.0 0.0 4.18 486 412 A 24 ARG H A 24 ARG HDy 1.0 0.0 4.18 487 413 A 24 ARG HGy A 25 GLY HAx 1.0 0.0 4.23 488 413 A 24 ARG HGx A 25 GLY HAx 1.0 0.0 4.23 489 413 A 25 GLY HAy A 24 ARG HGx 1.0 0.0 4.23 490 413 A 24 ARG HGy A 25 GLY HAy 1.0 0.0 4.23 491 414 A 26 CYS H A 24 ARG HGx 1.0 0.0 5.34 492 414 A 26 CYS H A 24 ARG HGy 1.0 0.0 5.34 493 415 A 27 ILE H A 25 GLY HAx 1.0 0.0 4.84 494 415 A 27 ILE H A 25 GLY HAy 1.0 0.0 4.84 495 416 A 38 LYS H A 25 GLY HAx 1.0 0.0 3.76 496 416 A 38 LYS H A 25 GLY HAy 1.0 0.0 3.76 497 417 A 25 GLY HAy A 38 LYS HEx 1.0 0.0 4.58 498 417 A 38 LYS HEy A 25 GLY HAx 1.0 0.0 4.58 499 417 A 25 GLY HAy A 38 LYS HEy 1.0 0.0 4.58 500 417 A 25 GLY HAx A 38 LYS HEx 1.0 0.0 4.58 501 418 A 26 CYS HA A 38 LYS HBx 1.0 0.0 5.34 502 418 A 26 CYS HA A 38 LYS HBy 1.0 0.0 5.34 503 419 A 26 CYS HA A 38 LYS HGx 1.0 0.0 5.11 504 419 A 26 CYS HA A 38 LYS HGy 1.0 0.0 5.11 505 420 A 37 CYS HA A 26 CYS HBx 1.0 0.0 4.26 506 420 A 37 CYS HA A 26 CYS HBy 1.0 0.0 4.26 507 421 A 38 LYS H A 26 CYS HBx 1.0 0.0 5.34 508 421 A 38 LYS H A 26 CYS HBy 1.0 0.0 5.34 509 422 A 27 ILE H A 27 ILE HG1x 1.0 0.0 4.43 510 422 A 27 ILE H A 27 ILE HG1y 1.0 0.0 4.43 511 423 A 27 ILE H A 38 LYS HGx 1.0 0.0 4.15 512 423 A 27 ILE H A 38 LYS HGy 1.0 0.0 4.15 513 424 A 27 ILE H A 38 LYS HEx 1.0 0.0 5.34 514 424 A 27 ILE H A 38 LYS HEy 1.0 0.0 5.34 515 425 A 27 ILE HA A 27 ILE HG1x 1.0 0.0 3.18 516 425 A 27 ILE HA A 27 ILE HG1y 1.0 0.0 3.18 517 426 A 27 ILE HG2% A 27 ILE HG1x 1.0 0.0 3.38 518 426 A 27 ILE HG2% A 27 ILE HG1y 1.0 0.0 3.38 519 427 A 27 ILE HG2% A 38 LYS HBx 1.0 0.0 5.34 520 427 A 27 ILE HG2% A 38 LYS HBy 1.0 0.0 5.34 521 428 A 27 ILE HG2% A 38 LYS HDy 1.0 0.0 5.34 522 428 A 27 ILE HG2% A 38 LYS HDx 1.0 0.0 5.34 523 429 A 27 ILE HG2% A 38 LYS HEx 1.0 0.0 4.28 524 429 A 27 ILE HG2% A 38 LYS HEy 1.0 0.0 4.28 525 430 A 27 ILE HG2% A 27 ILE HG1y 1.0 0.0 3.53 526 430 A 27 ILE HG2% A 27 ILE HG1x 1.0 0.0 3.53 527 431 A 28 CYS H A 27 ILE HG1x 1.0 0.0 3.67 528 431 A 28 CYS H A 27 ILE HG1y 1.0 0.0 3.67 529 432 A 28 CYS HBy A 29 SER HBy 1.0 0.0 4.40 530 432 A 28 CYS HBy A 29 SER HBx 1.0 0.0 4.40 531 433 A 29 SER H A 29 SER HBy 1.0 0.0 3.13 532 433 A 29 SER H A 29 SER HBx 1.0 0.0 3.13 533 434 A 29 SER H A 34 ASN HBx 1.0 0.0 4.61 534 434 A 29 SER H A 34 ASN HBy 1.0 0.0 4.61 535 435 A 30 ILE H A 29 SER HBy 1.0 0.0 3.43 536 435 A 30 ILE H A 29 SER HBx 1.0 0.0 3.43 537 436 A 30 ILE HG2% A 29 SER HBy 1.0 0.0 5.34 538 436 A 30 ILE HG2% A 29 SER HBx 1.0 0.0 5.34 539 437 A 30 ILE HG2% A 29 SER HBx 1.0 0.0 4.56 540 437 A 30 ILE HG2% A 29 SER HBy 1.0 0.0 4.56 541 438 A 31 MET H A 29 SER HBy 1.0 0.0 4.39 542 438 A 31 MET H A 29 SER HBx 1.0 0.0 4.39 543 439 A 32 GLY H A 29 SER HBy 1.0 0.0 3.37 544 439 A 32 GLY H A 29 SER HBx 1.0 0.0 3.37 545 440 A 33 THR H A 29 SER HBy 1.0 0.0 3.41 546 440 A 33 THR H A 29 SER HBx 1.0 0.0 3.41 547 441 A 33 THR HG2% A 29 SER HBy 1.0 0.0 4.36 548 441 A 33 THR HG2% A 29 SER HBx 1.0 0.0 4.36 549 442 A 33 THR HG2% A 29 SER HBy 1.0 0.0 4.56 550 442 A 33 THR HG2% A 29 SER HBx 1.0 0.0 4.56 551 443 A 34 ASN H A 29 SER HBy 1.0 0.0 3.77 552 443 A 34 ASN H A 29 SER HBx 1.0 0.0 3.77 553 444 A 29 SER HBx A 34 ASN HBx 1.0 0.0 3.49 554 444 A 29 SER HBy A 34 ASN HBx 1.0 0.0 3.49 555 444 A 34 ASN HBy A 29 SER HBy 1.0 0.0 3.49 556 444 A 29 SER HBx A 34 ASN HBy 1.0 0.0 3.49 557 445 A 30 ILE H A 30 ILE HG1y 1.0 0.0 4.62 558 445 A 30 ILE H A 30 ILE HG1x 1.0 0.0 4.62 559 446 A 30 ILE HG2% A 30 ILE HG1y 1.0 0.0 3.68 560 446 A 30 ILE HG2% A 30 ILE HG1x 1.0 0.0 3.68 561 447 A 30 ILE HG2% A 30 ILE HG1y 1.0 0.0 3.33 562 447 A 30 ILE HG2% A 30 ILE HG1x 1.0 0.0 3.33 563 448 A 31 MET HGy A 30 ILE HG1y 1.0 0.0 3.93 564 448 A 31 MET HGy A 30 ILE HG1x 1.0 0.0 3.93 565 449 A 31 MET H A 31 MET HBy 1.0 0.0 3.32 566 449 A 31 MET H A 31 MET HBx 1.0 0.0 3.32 567 450 A 32 GLY H A 31 MET HBy 1.0 0.0 4.28 568 450 A 32 GLY H A 31 MET HBx 1.0 0.0 4.28 569 451 A 33 THR H A 31 MET HBy 1.0 0.0 4.81 570 451 A 33 THR H A 31 MET HBx 1.0 0.0 4.81 571 452 A 33 THR HG2% A 31 MET HBy 1.0 0.0 4.15 572 452 A 33 THR HG2% A 31 MET HBx 1.0 0.0 4.15 573 453 A 34 ASN H A 34 ASN HBx 1.0 0.0 3.41 574 453 A 34 ASN H A 34 ASN HBy 1.0 0.0 3.41 575 454 A 35 CYS H A 35 CYS HBy 1.0 0.0 3.33 576 454 A 35 CYS H A 35 CYS HBx 1.0 0.0 3.33 577 455 A 36 GLU H A 35 CYS HBy 1.0 0.0 4.10 578 455 A 36 GLU H A 35 CYS HBx 1.0 0.0 4.10 579 456 A 36 GLU H A 36 GLU HBx 1.0 0.0 3.63 580 456 A 36 GLU H A 36 GLU HBy 1.0 0.0 3.63 581 457 A 36 GLU H A 36 GLU HGy 1.0 0.0 4.76 582 457 A 36 GLU H A 36 GLU HGx 1.0 0.0 4.76 583 458 A 36 GLU HA A 36 GLU HGy 1.0 0.0 3.73 584 458 A 36 GLU HA A 36 GLU HGx 1.0 0.0 3.73 585 459 A 37 CYS H A 36 GLU HBx 1.0 0.0 4.17 586 459 A 37 CYS H A 36 GLU HBy 1.0 0.0 4.17 587 460 A 37 CYS H A 36 GLU HGy 1.0 0.0 4.71 588 460 A 37 CYS H A 36 GLU HGx 1.0 0.0 4.71 589 461 A 38 LYS H A 38 LYS HGx 1.0 0.0 3.15 590 461 A 38 LYS H A 38 LYS HGy 1.0 0.0 3.15 591 462 A 38 LYS H A 38 LYS HEx 1.0 0.0 4.65 592 462 A 38 LYS H A 38 LYS HEy 1.0 0.0 4.65 593 463 A 38 LYS H A 39 PRO HDy 1.0 0.0 4.76 594 463 A 38 LYS H A 39 PRO HDx 1.0 0.0 4.76 595 464 A 38 LYS HA A 38 LYS HDy 1.0 0.0 4.81 596 464 A 38 LYS HA A 38 LYS HDx 1.0 0.0 4.81 597 465 A 39 PRO HA A 40 ARG HGy 1.0 0.0 5.19 598 465 A 39 PRO HA A 40 ARG HGx 1.0 0.0 5.19 599 466 A 40 ARG H A 39 PRO HBx 1.0 0.0 3.25 600 466 A 40 ARG H A 39 PRO HBy 1.0 0.0 3.25 601 467 A 40 ARG H A 39 PRO HGx 1.0 0.0 4.20 602 467 A 40 ARG H A 39 PRO HGy 1.0 0.0 4.20 603 468 A 40 ARG H A 40 ARG HBy 1.0 0.0 3.49 604 468 A 40 ARG H A 40 ARG HBx 1.0 0.0 3.49 605 469 A 41 LEU H A 40 ARG HBy 1.0 0.0 3.42 606 469 A 41 LEU H A 40 ARG HBx 1.0 0.0 3.42 607 470 A 41 LEU HA A 40 ARG HBy 1.0 0.0 4.75 608 470 A 41 LEU HA A 40 ARG HBx 1.0 0.0 4.75 609 471 A 41 LEU H A 40 ARG HGy 1.0 0.0 3.96 610 471 A 41 LEU H A 40 ARG HGx 1.0 0.0 3.96 611 472 A 41 LEU H A 41 LEU HBx 1.0 0.0 3.63 612 472 A 41 LEU H A 41 LEU HBy 1.0 0.0 3.63 613 473 A 42 ILE H A 41 LEU HBx 1.0 0.0 4.37 614 473 A 42 ILE H A 41 LEU HBy 1.0 0.0 4.37 615 474 A 42 ILE H A 42 ILE HG1y 1.0 0.0 4.32 616 474 A 42 ILE H A 42 ILE HG1x 1.0 0.0 4.32 617 475 A 43 MET H A 43 MET HBy 1.0 0.0 3.60 618 475 A 43 MET H A 43 MET HBx 1.0 0.0 3.60 619 476 A 43 MET H A 43 MET HGx 1.0 0.0 3.97 620 476 A 43 MET H A 43 MET HGy 1.0 0.0 3.97 621 477 A 43 MET HA A 43 MET HGx 1.0 0.0 3.39 622 477 A 43 MET HA A 43 MET HGy 1.0 0.0 3.39 623 478 A 44 GLU H A 43 MET HBy 1.0 0.0 4.03 624 478 A 44 GLU H A 43 MET HBx 1.0 0.0 4.03 625 479 A 46 LEU H A 43 MET HBy 1.0 0.0 5.33 626 479 A 46 LEU H A 43 MET HBx 1.0 0.0 5.33 627 480 A 47 GLY H A 43 MET HBy 1.0 0.0 5.34 628 480 A 47 GLY H A 43 MET HBx 1.0 0.0 5.34 629 481 A 48 LEU H A 43 MET HBy 1.0 0.0 4.50 630 481 A 48 LEU H A 43 MET HBx 1.0 0.0 4.50 631 482 A 49 ALA H A 43 MET HBy 1.0 0.0 4.29 632 482 A 49 ALA H A 43 MET HBx 1.0 0.0 4.29 633 483 A 44 GLU H A 43 MET HGx 1.0 0.0 4.67 634 483 A 44 GLU H A 43 MET HGy 1.0 0.0 4.67 635 484 A 46 LEU H A 43 MET HGx 1.0 0.0 5.34 636 484 A 46 LEU H A 43 MET HGy 1.0 0.0 5.34 637 485 A 49 ALA HB% A 43 MET HGx 1.0 0.0 5.34 638 485 A 43 MET HGy A 49 ALA HB% 1.0 0.0 5.34 639 486 A 49 ALA HB% A 43 MET HGx 1.0 0.0 5.34 640 486 A 43 MET HGy A 49 ALA HB% 1.0 0.0 5.34 641 487 A 44 GLU H A 44 GLU HBy 1.0 0.0 3.53 642 487 A 44 GLU H A 44 GLU HBx 1.0 0.0 3.53 643 488 A 45 GLY H A 44 GLU HGx 1.0 0.0 5.27 644 488 A 45 GLY H A 44 GLU HGy 1.0 0.0 5.27 645 489 A 46 LEU H A 46 LEU HBx 1.0 0.0 3.52 646 489 A 46 LEU H A 46 LEU HBy 1.0 0.0 3.52 647 490 A 47 GLY H A 46 LEU HBx 1.0 0.0 4.34 648 490 A 47 GLY H A 46 LEU HBy 1.0 0.0 4.34 649 491 A 49 ALA H A 47 GLY HAy 1.0 0.0 4.84 650 491 A 49 ALA H A 47 GLY HAx 1.0 0.0 4.84 651 492 A 48 LEU H A 48 LEU HBx 1.0 0.0 3.66 652 492 A 48 LEU H A 48 LEU HBy 1.0 0.0 3.66 653 493 A 48 LEU HDy% A 48 LEU HBy 1.0 0.0 3.04 654 493 A 48 LEU HDy% A 48 LEU HBx 1.0 0.0 3.04 655 494 A 49 ALA H A 48 LEU HBx 1.0 0.0 3.50 656 494 A 49 ALA H A 48 LEU HBy 1.0 0.0 3.50 657 495 A 5 CYS SG A 21 CYS SG 1.0 0.0 2.04 658 496 A 21 CYS SG A 5 CYS CB 1.0 0.0 3.49 659 497 A 5 CYS SG A 21 CYS CB 1.0 0.0 3.49 660 498 A 13 CYS SG A 26 CYS SG 1.0 0.0 2.04 661 499 A 26 CYS SG A 13 CYS CB 1.0 0.0 3.49 662 500 A 13 CYS SG A 26 CYS CB 1.0 0.0 3.49 663 501 A 20 CYS SG A 37 CYS SG 1.0 0.0 2.04 664 502 A 37 CYS SG A 20 CYS CB 1.0 0.0 3.49 665 503 A 20 CYS SG A 37 CYS CB 1.0 0.0 3.49 666 504 A 28 CYS SG A 35 CYS SG 1.0 0.0 2.04 667 505 A 35 CYS SG A 28 CYS CB 1.0 0.0 3.49 668 506 A 28 CYS SG A 35 CYS CB 1.0 0.0 3.49 669 507 A 27 ILE H A 36 GLU O 1.0 0.0 2.30 670 508 A 36 GLU O A 27 ILE N 1.0 0.0 3.30 671 509 A 36 GLU H A 27 ILE O 1.0 0.0 2.30 672 510 A 27 ILE O A 36 GLU N 1.0 0.0 3.30 673 511 A 25 GLY H A 38 LYS O 1.0 0.0 2.30 674 512 A 38 LYS O A 25 GLY N 1.0 0.0 3.30 675 513 A 38 LYS H A 25 GLY O 1.0 0.0 2.30 676 514 A 25 GLY O A 38 LYS N 1.0 0.0 3.30 677 515 A 13 CYS H A 35 CYS O 1.0 0.0 2.30 678 516 A 35 CYS O A 13 CYS N 1.0 0.0 3.30 679 517 A 37 CYS H A 11 GLY O 1.0 0.0 2.30 680 518 A 11 GLY O A 37 CYS N 1.0 0.0 3.30 681 519 A 11 GLY H A 37 CYS O 1.0 0.0 2.30 682 520 A 37 CYS O A 11 GLY N 1.0 0.0 3.30 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 LYS C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -160.0 -80.0 PHI 2 2 A 12 ARG C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -160.0 -80.0 PHI 3 3 A 13 CYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -160.0 -80.0 PHI 4 4 A 14 LYS C A 15 TRP N A 15 TRP CA A 15 TRP C 1.0 -90.0 -40.0 PHI 5 5 A 17 GLY C A 18 THR N A 18 THR CA A 18 THR C 1.0 -90.0 -40.0 PHI 6 6 A 23 GLY C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -160.0 -80.0 PHI 7 7 A 26 CYS C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -160.0 -80.0 PHI 8 8 A 27 ILE C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -160.0 -80.0 PHI 9 9 A 30 ILE C A 31 MET N A 31 MET CA A 31 MET C 1.0 -160.0 -80.0 PHI 10 10 A 32 GLY C A 33 THR N A 33 THR CA A 33 THR C 1.0 -160.0 -80.0 PHI 11 11 A 35 CYS C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -160.0 -80.0 PHI 12 12 A 37 CYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -160.0 -80.0 PHI 13 13 A 43 MET C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -90.0 -40.0 PHI 14 14 A 47 GLY C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -160.0 -80.0 PHI 15 15 A 48 LEU C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -90.0 -40.0 PHI stop_ save_