data_nef_c25269_2mvi 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 2MVI 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 28 CYS SG 1 12 CYS SG 1 21 CYS SG 1 18 SER OG 2 1 NAG C1 1 43 CYS SG 2 2 NAG C1 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 LYS start . . 2 A 2 PRO middle . false 3 A 3 ALA middle . . 4 A 4 TRP middle . . 5 A 5 CYS middle -HG . 6 A 6 TRP middle . . 7 A 7 TYR middle . . 8 A 8 THR middle . . 9 A 9 LEU middle . . 10 A 10 ALA middle . . 11 A 11 MET middle . . 12 A 12 CYS middle -HG . 13 A 13 GLY middle . false 14 A 14 ALA middle . . 15 A 15 GLY middle . false 16 A 16 TYR middle . . 17 A 17 ASP middle . . 18 A 18 SER middle . . 19 A 19 GLY middle . false 20 A 20 THR middle . . 21 A 21 CYS middle -HG . 22 A 22 ASP middle . . 23 A 23 TYR middle . . 24 A 24 MET middle . . 25 A 25 TYR middle . . 26 A 26 SER middle . . 27 A 27 HIS middle . . 28 A 28 CYS middle -HG . 29 A 29 PHE middle . . 30 A 30 GLY middle . false 31 A 31 VAL middle . . 32 A 32 LYS middle . . 33 A 33 HIS middle . . 34 A 34 SER middle . . 35 A 35 SER middle . . 36 A 36 GLY middle . false 37 A 37 GLY middle . false 38 A 38 GLY middle . false 39 A 39 GLY middle . false 40 A 40 SER middle . . 41 A 41 TYR middle . . 42 A 42 HIS middle . . 43 A 43 CYS end . . 44 B 1 NAG . -O1 . 45 B 2 NAG . -O1 . 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 1 LYS HA H 1 4.117 0.03 A 1 LYS HBx H 1 1.692 0.03 A 1 LYS HBy H 1 1.692 0.03 A 1 LYS HDy H 1 1.445 0.03 A 1 LYS HDx H 1 1.409 0.03 A 1 LYS HEx H 1 3.109 0.03 A 1 LYS HEy H 1 3.109 0.03 A 1 LYS HGx H 1 1.346 0.03 A 1 LYS HGy H 1 1.346 0.03 A 1 LYS CA C 13 51.525 0.03 A 1 LYS CB C 13 29.138 0.03 A 1 LYS CD C 13 25.949 0.03 A 1 LYS CE C 13 40.674 0.03 A 1 LYS CG C 13 20.889 0.03 A 2 PRO HA H 1 4.135 0.03 A 2 PRO HBx H 1 1.245 0.03 A 2 PRO HBy H 1 1.945 0.03 A 2 PRO HDy H 1 3.589 0.03 A 2 PRO HDx H 1 3.322 0.03 A 2 PRO HGx H 1 1.695 0.03 A 2 PRO HGy H 1 1.788 0.03 A 2 PRO CA C 13 60.105 0.03 A 2 PRO CB C 13 29.053 0.03 A 2 PRO CD C 13 47.654 0.03 A 2 PRO CG C 13 24.668 0.03 A 3 ALA H H 1 8.259 0.03 A 3 ALA HA H 1 4.172 0.03 A 3 ALA HB% H 1 1.392 0.03 A 3 ALA CA C 13 50.590 0.03 A 3 ALA CB C 13 15.910 0.03 A 3 ALA N N 15 124.626 0.03 A 4 TRP H H 1 7.581 0.03 A 4 TRP HA H 1 4.269 0.03 A 4 TRP HBx H 1 3.185 0.03 A 4 TRP HBy H 1 3.288 0.03 A 4 TRP HD1 H 1 7.231 0.03 A 4 TRP HE1 H 1 10.026 0.03 A 4 TRP HE3 H 1 7.390 0.03 A 4 TRP HH2 H 1 7.000 0.03 A 4 TRP HZ2 H 1 7.333 0.03 A 4 TRP HZ3 H 1 6.941 0.03 A 4 TRP CA C 13 59.094 0.03 A 4 TRP CB C 13 26.242 0.03 A 4 TRP CD1 C 13 124.587 0.03 A 4 TRP CE3 C 13 117.913 0.03 A 4 TRP CH2 C 13 121.495 0.03 A 4 TRP CZ2 C 13 111.721 0.03 A 4 TRP CZ3 C 13 119.032 0.03 A 4 TRP N N 15 117.335 0.03 A 4 TRP NE1 N 15 129.658 0.03 A 5 CYS H H 1 7.880 0.03 A 5 CYS HA H 1 4.204 0.03 A 5 CYS HBy H 1 2.636 0.03 A 5 CYS HBx H 1 2.397 0.03 A 5 CYS CA C 13 55.113 0.03 A 5 CYS CB C 13 36.372 0.03 A 5 CYS N N 15 117.878 0.03 A 6 TRP H H 1 7.514 0.03 A 6 TRP HA H 1 4.379 0.03 A 6 TRP HBx H 1 3.143 0.03 A 6 TRP HBy H 1 3.228 0.03 A 6 TRP HD1 H 1 7.043 0.03 A 6 TRP HE1 H 1 9.861 0.03 A 6 TRP HE3 H 1 7.402 0.03 A 6 TRP HH2 H 1 7.117 0.03 A 6 TRP HZ2 H 1 7.370 0.03 A 6 TRP HZ3 H 1 6.962 0.03 A 6 TRP CA C 13 57.046 0.03 A 6 TRP CB C 13 26.548 0.03 A 6 TRP CD1 C 13 124.136 0.03 A 6 TRP CE3 C 13 117.841 0.03 A 6 TRP CH2 C 13 121.578 0.03 A 6 TRP CZ2 C 13 111.630 0.03 A 6 TRP CZ3 C 13 119.102 0.03 A 6 TRP N N 15 120.116 0.03 A 6 TRP NE1 N 15 128.315 0.03 A 7 TYR H H 1 7.758 0.03 A 7 TYR HA H 1 4.206 0.03 A 7 TYR HBx H 1 2.915 0.03 A 7 TYR HBy H 1 3.033 0.03 A 7 TYR HDx H 1 7.023 0.03 A 7 TYR HDy H 1 7.023 0.03 A 7 TYR HEx H 1 6.751 0.03 A 7 TYR HEy H 1 6.751 0.03 A 7 TYR CA C 13 57.356 0.03 A 7 TYR CB C 13 35.592 0.03 A 7 TYR CDx C 13 130.274 0.03 A 7 TYR CDy C 13 130.274 0.03 A 7 TYR CEx C 13 115.325 0.03 A 7 TYR CEy C 13 115.325 0.03 A 7 TYR N N 15 117.617 0.03 A 8 THR H H 1 7.843 0.03 A 8 THR HA H 1 3.807 0.03 A 8 THR HB H 1 4.080 0.03 A 8 THR HG21 H 1 1.144 0.03 A 8 THR HG22 H 1 1.144 0.03 A 8 THR HG23 H 1 1.144 0.03 A 8 THR CA C 13 63.506 0.03 A 8 THR CB C 13 65.965 0.03 A 8 THR CG2 C 13 19.514 0.03 A 8 THR N N 15 114.013 0.03 A 9 LEU H H 1 7.750 0.03 A 9 LEU HA H 1 3.940 0.03 A 9 LEU HBy H 1 1.716 0.03 A 9 LEU HBx H 1 1.658 0.03 A 9 LEU HDx% H 1 0.765 0.03 A 9 LEU HDy% H 1 0.792 0.03 A 9 LEU HG H 1 1.602 0.03 A 9 LEU CA C 13 55.391 0.03 A 9 LEU CB C 13 38.675 0.03 A 9 LEU CDy C 13 21.832 0.03 A 9 LEU CDx C 13 21.509 0.03 A 9 LEU CG C 13 24.333 0.03 A 9 LEU N N 15 121.631 0.03 A 10 ALA H H 1 7.592 0.03 A 10 ALA HA H 1 4.005 0.03 A 10 ALA HB% H 1 1.290 0.03 A 10 ALA CA C 13 51.634 0.03 A 10 ALA CB C 13 15.558 0.03 A 10 ALA N N 15 120.229 0.03 A 11 MET H H 1 7.788 0.03 A 11 MET HA H 1 3.800 0.03 A 11 MET HBy H 1 1.960 0.03 A 11 MET HBx H 1 1.918 0.03 A 11 MET HE1 H 1 1.290 0.03 A 11 MET HE2 H 1 1.290 0.03 A 11 MET HE3 H 1 1.290 0.03 A 11 MET HGy H 1 2.417 0.03 A 11 MET HGx H 1 2.337 0.03 A 11 MET CA C 13 55.416 0.03 A 11 MET CB C 13 30.203 0.03 A 11 MET CE C 13 16.446 0.03 A 11 MET CG C 13 29.531 0.03 A 11 MET N N 15 114.827 0.03 A 12 CYS H H 1 8.155 0.03 A 12 CYS HA H 1 4.561 0.03 A 12 CYS HBx H 1 3.072 0.03 A 12 CYS HBy H 1 3.146 0.03 A 12 CYS CA C 13 55.551 0.03 A 12 CYS CB C 13 39.733 0.03 A 12 CYS N N 15 117.096 0.03 A 13 GLY H H 1 8.112 0.03 A 13 GLY HAy H 1 3.890 0.03 A 13 GLY HAx H 1 3.874 0.03 A 13 GLY CA C 13 43.469 0.03 A 13 GLY N N 15 108.467 0.03 A 14 ALA H H 1 7.662 0.03 A 14 ALA HA H 1 4.300 0.03 A 14 ALA HB% H 1 1.368 0.03 A 14 ALA CA C 13 49.463 0.03 A 14 ALA CB C 13 16.347 0.03 A 14 ALA N N 15 121.448 0.03 A 15 GLY H H 1 7.695 0.03 A 15 GLY HAy H 1 3.920 0.03 A 15 GLY HAx H 1 3.701 0.03 A 15 GLY CA C 13 42.731 0.03 A 15 GLY N N 15 104.928 0.03 A 16 TYR H H 1 7.604 0.03 A 16 TYR HA H 1 4.465 0.03 A 16 TYR HBx H 1 2.827 0.03 A 16 TYR HBy H 1 2.937 0.03 A 16 TYR HDx H 1 7.050 0.03 A 16 TYR HDy H 1 7.050 0.03 A 16 TYR HEy H 1 6.728 0.03 A 16 TYR HEx H 1 6.716 0.03 A 16 TYR CA C 13 55.219 0.03 A 16 TYR CB C 13 36.059 0.03 A 16 TYR CDx C 13 130.197 0.03 A 16 TYR CDy C 13 130.197 0.03 A 16 TYR CEx C 13 115.321 0.03 A 16 TYR CEy C 13 115.321 0.03 A 16 TYR N N 15 118.658 0.03 A 17 ASP H H 1 7.919 0.03 A 17 ASP HA H 1 4.604 0.03 A 17 ASP HBx H 1 2.672 0.03 A 17 ASP HBy H 1 2.828 0.03 A 17 ASP CA C 13 50.298 0.03 A 17 ASP CB C 13 36.072 0.03 A 17 ASP N N 15 118.647 0.03 A 18 SER H H 1 8.039 0.03 A 18 SER HA H 1 4.272 0.03 A 18 SER HBy H 1 4.006 0.03 A 18 SER HBx H 1 3.819 0.03 A 18 SER CA C 13 55.383 0.03 A 18 SER CB C 13 67.330 0.03 A 18 SER N N 15 116.466 0.03 A 19 GLY H H 1 8.331 0.03 A 19 GLY HAx H 1 3.811 0.03 A 19 GLY HAy H 1 3.979 0.03 A 19 GLY CA C 13 44.274 0.03 A 19 GLY N N 15 111.185 0.03 A 20 THR H H 1 7.850 0.03 A 20 THR HA H 1 4.110 0.03 A 20 THR HB H 1 4.121 0.03 A 20 THR HG21 H 1 1.177 0.03 A 20 THR HG22 H 1 1.177 0.03 A 20 THR HG23 H 1 1.177 0.03 A 20 THR CA C 13 62.430 0.03 A 20 THR CB C 13 65.863 0.03 A 20 THR CG2 C 13 19.514 0.03 A 20 THR N N 15 116.439 0.03 A 21 CYS H H 1 8.037 0.03 A 21 CYS HA H 1 4.273 0.03 A 21 CYS HBy H 1 3.139 0.03 A 21 CYS HBx H 1 2.948 0.03 A 21 CYS CA C 13 55.364 0.03 A 21 CYS CB C 13 38.016 0.03 A 21 CYS N N 15 119.701 0.03 A 22 ASP H H 1 8.447 0.03 A 22 ASP HA H 1 4.452 0.03 A 22 ASP HBy H 1 2.931 0.03 A 22 ASP HBx H 1 2.837 0.03 A 22 ASP CA C 13 53.927 0.03 A 22 ASP CB C 13 35.083 0.03 A 22 ASP N N 15 119.085 0.03 A 23 TYR H H 1 8.037 0.03 A 23 TYR HA H 1 4.125 0.03 A 23 TYR HBy H 1 3.102 0.03 A 23 TYR HBx H 1 3.048 0.03 A 23 TYR HDx H 1 6.966 0.03 A 23 TYR HDy H 1 6.966 0.03 A 23 TYR HEx H 1 6.557 0.03 A 23 TYR HEy H 1 6.557 0.03 A 23 TYR CA C 13 58.305 0.03 A 23 TYR CB C 13 35.723 0.03 A 23 TYR CDx C 13 130.227 0.03 A 23 TYR CDy C 13 130.227 0.03 A 23 TYR CEx C 13 115.175 0.03 A 23 TYR CEy C 13 115.175 0.03 A 23 TYR N N 15 121.546 0.03 A 24 MET H H 1 8.459 0.03 A 24 MET HA H 1 4.123 0.03 A 24 MET HBy H 1 2.242 0.03 A 24 MET HBx H 1 2.183 0.03 A 24 MET HE1 H 1 1.146 0.03 A 24 MET HE2 H 1 1.146 0.03 A 24 MET HE3 H 1 1.146 0.03 A 24 MET HGx H 1 2.555 0.03 A 24 MET HGy H 1 2.686 0.03 A 24 MET CA C 13 56.163 0.03 A 24 MET CB C 13 28.747 0.03 A 24 MET CE C 13 19.153 0.03 A 24 MET CG C 13 29.261 0.03 A 24 MET N N 15 120.054 0.03 A 25 TYR H H 1 8.909 0.03 A 25 TYR HA H 1 4.124 0.03 A 25 TYR HBy H 1 3.101 0.03 A 25 TYR HBx H 1 3.060 0.03 A 25 TYR HDx H 1 6.961 0.03 A 25 TYR HDy H 1 6.961 0.03 A 25 TYR HEx H 1 6.493 0.03 A 25 TYR HEy H 1 6.493 0.03 A 25 TYR CA C 13 59.645 0.03 A 25 TYR CB C 13 35.510 0.03 A 25 TYR CDx C 13 129.415 0.03 A 25 TYR CDy C 13 129.415 0.03 A 25 TYR CEx C 13 115.018 0.03 A 25 TYR CEy C 13 115.018 0.03 A 25 TYR N N 15 120.358 0.03 A 26 SER H H 1 8.039 0.03 A 26 SER HA H 1 4.124 0.03 A 26 SER HBx H 1 3.806 0.03 A 26 SER HBy H 1 3.806 0.03 A 26 SER CA C 13 58.949 0.03 A 26 SER CB C 13 60.889 0.03 A 26 SER N N 15 112.447 0.03 A 27 HIS H H 1 7.790 0.03 A 27 HIS HA H 1 4.224 0.03 A 27 HIS HBx H 1 2.729 0.03 A 27 HIS HBy H 1 3.065 0.03 A 27 HIS HD2 H 1 6.962 0.03 A 27 HIS HE1 H 1 8.477 0.03 A 27 HIS CA C 13 55.406 0.03 A 27 HIS CB C 13 25.552 0.03 A 27 HIS CD2 C 13 116.832 0.03 A 27 HIS CE1 C 13 133.755 0.03 A 27 HIS N N 15 116.202 0.03 A 28 CYS H H 1 8.096 0.03 A 28 CYS HA H 1 4.225 0.03 A 28 CYS HBy H 1 2.716 0.03 A 28 CYS HBx H 1 1.843 0.03 A 28 CYS CA C 13 55.394 0.03 A 28 CYS CB C 13 39.479 0.03 A 28 CYS N N 15 115.699 0.03 A 29 PHE H H 1 7.682 0.03 A 29 PHE HA H 1 4.598 0.03 A 29 PHE HBy H 1 3.139 0.03 A 29 PHE HBx H 1 2.485 0.03 A 29 PHE HDx H 1 6.968 0.03 A 29 PHE HDy H 1 6.968 0.03 A 29 PHE HEx H 1 7.021 0.03 A 29 PHE HEy H 1 7.021 0.03 A 29 PHE HZ H 1 6.722 0.03 A 29 PHE CA C 13 55.053 0.03 A 29 PHE CB C 13 37.470 0.03 A 29 PHE CDx C 13 128.157 0.03 A 29 PHE CDy C 13 128.157 0.03 A 29 PHE CEx C 13 128.146 0.03 A 29 PHE CEy C 13 128.146 0.03 A 29 PHE CZ C 13 126.531 0.03 A 29 PHE N N 15 115.898 0.03 A 30 GLY H H 1 7.577 0.03 A 30 GLY HAx H 1 3.861 0.03 A 30 GLY HAy H 1 3.861 0.03 A 30 GLY CA C 13 42.894 0.03 A 30 GLY N N 15 107.941 0.03 A 31 VAL H H 1 7.584 0.03 A 31 VAL HA H 1 4.048 0.03 A 31 VAL HB H 1 1.926 0.03 A 31 VAL HGx% H 1 0.816 0.03 A 31 VAL HGy% H 1 0.784 0.03 A 31 VAL CA C 13 58.995 0.03 A 31 VAL CB C 13 30.343 0.03 A 31 VAL CGx C 13 17.552 0.03 A 31 VAL CGy C 13 18.298 0.03 A 31 VAL N N 15 115.625 0.03 A 32 LYS H H 1 8.002 0.03 A 32 LYS HA H 1 4.196 0.03 A 32 LYS HBx H 1 1.598 0.03 A 32 LYS HBy H 1 1.656 0.03 A 32 LYS HDx H 1 1.535 0.03 A 32 LYS HDy H 1 1.573 0.03 A 32 LYS HEx H 1 2.821 0.03 A 32 LYS HEy H 1 2.821 0.03 A 32 LYS HGx H 1 1.252 0.03 A 32 LYS HGy H 1 1.309 0.03 A 32 LYS CA C 13 53.280 0.03 A 32 LYS CB C 13 30.389 0.03 A 32 LYS CD C 13 26.253 0.03 A 32 LYS CE C 13 39.318 0.03 A 32 LYS CG C 13 21.956 0.03 A 32 LYS N N 15 123.707 0.03 A 33 HIS H H 1 8.205 0.03 A 33 HIS HA H 1 4.618 0.03 A 33 HIS HBx H 1 2.994 0.03 A 33 HIS HBy H 1 3.135 0.03 A 33 HIS HD2 H 1 7.180 0.03 A 33 HIS HE1 H 1 8.447 0.03 A 33 HIS CA C 13 52.353 0.03 A 33 HIS CB C 13 26.559 0.03 A 33 HIS CD2 C 13 117.505 0.03 A 33 HIS CE1 C 13 133.687 0.03 A 33 HIS N N 15 119.228 0.03 A 34 SER H H 1 7.814 0.03 A 34 SER HA H 1 4.329 0.03 A 34 SER HBx H 1 3.666 0.03 A 34 SER HBy H 1 3.849 0.03 A 34 SER CA C 13 55.392 0.03 A 34 SER CB C 13 61.072 0.03 A 34 SER N N 15 114.324 0.03 A 35 SER H H 1 8.185 0.03 A 35 SER HA H 1 4.392 0.03 A 35 SER HBx H 1 3.783 0.03 A 35 SER HBy H 1 3.813 0.03 A 35 SER CA C 13 55.618 0.03 A 35 SER CB C 13 61.247 0.03 A 35 SER N N 15 117.133 0.03 A 36 GLY H H 1 8.021 0.03 A 36 GLY HAx H 1 3.871 0.03 A 36 GLY HAy H 1 3.871 0.03 A 36 GLY CA C 13 42.423 0.03 A 36 GLY N N 15 107.839 0.03 A 37 GLY H H 1 8.159 0.03 A 37 GLY HAx H 1 3.892 0.03 A 37 GLY HAy H 1 3.892 0.03 A 37 GLY CA C 13 42.587 0.03 A 37 GLY N N 15 109.587 0.03 A 38 GLY H H 1 8.047 0.03 A 38 GLY HAx H 1 3.885 0.03 A 38 GLY HAy H 1 3.885 0.03 A 38 GLY CA C 13 42.423 0.03 A 38 GLY N N 15 107.839 0.03 A 39 GLY H H 1 8.095 0.03 A 39 GLY HAx H 1 3.881 0.03 A 39 GLY HAy H 1 3.881 0.03 A 39 GLY CA C 13 42.543 0.03 A 39 GLY N N 15 107.993 0.03 A 40 SER H H 1 8.079 0.03 A 40 SER HA H 1 4.394 0.03 A 40 SER HBx H 1 3.787 0.03 A 40 SER HBy H 1 4.411 0.03 A 40 SER CA C 13 55.388 0.03 A 40 SER CB C 13 61.227 0.03 A 40 SER N N 15 116.643 0.03 A 41 TYR H H 1 7.854 0.03 A 41 TYR HA H 1 4.451 0.03 A 41 TYR HBx H 1 2.826 0.03 A 41 TYR HBy H 1 2.940 0.03 A 41 TYR HDx H 1 7.019 0.03 A 41 TYR HDy H 1 7.019 0.03 A 41 TYR HEx H 1 6.556 0.03 A 41 TYR HEy H 1 6.556 0.03 A 41 TYR CA C 13 55.125 0.03 A 41 TYR CB C 13 36.013 0.03 A 41 TYR CDx C 13 130.278 0.03 A 41 TYR CDy C 13 130.278 0.03 A 41 TYR CEx C 13 115.178 0.03 A 41 TYR CEy C 13 115.178 0.03 A 41 TYR N N 15 120.646 0.03 A 42 HIS H H 1 7.806 0.03 A 42 HIS HA H 1 4.607 0.03 A 42 HIS HBy H 1 3.141 0.03 A 42 HIS HBx H 1 3.078 0.03 A 42 HIS HD2 H 1 7.161 0.03 A 42 HIS HE1 H 1 8.192 0.03 A 42 HIS CA C 13 51.920 0.03 A 42 HIS CB C 13 27.108 0.03 A 42 HIS CD2 C 13 117.247 0.03 A 42 HIS CE1 C 13 133.329 0.03 A 42 HIS N N 15 118.252 0.03 A 43 CYS H H 1 7.949 0.03 A 43 CYS HA H 1 4.398 0.03 A 43 CYS HBy H 1 3.214 0.03 A 43 CYS HBx H 1 2.906 0.03 A 43 CYS CA C 13 54.200 0.03 A 43 CYS CB C 13 31.471 0.03 A 43 CYS N N 15 123.766 0.03 B 1 NAG H1 H 1 4.479 0.03 B 1 NAG H2 H 1 7.834 0.03 B 1 NAG H5 H 1 3.388 0.03 B 1 NAG H6x H 1 3.627 0.03 B 1 NAG H6y H 1 3.627 0.03 B 1 NAG H81 H 1 1.994 0.03 B 1 NAG H82 H 1 1.994 0.03 B 1 NAG H83 H 1 1.994 0.03 B 1 NAG HC2 H 1 3.653 0.03 B 1 NAG HC3 H 1 3.485 0.03 B 1 NAG HC4 H 1 3.345 0.03 B 1 NAG HO6 H 1 3.856 0.03 B 1 NAG C1 C 13 100.952 0.03 B 1 NAG C5 C 13 75.898 0.03 B 1 NAG C6 C 13 61.050 0.03 B 1 NAG C8 C 13 22.413 0.03 B 1 NAG CC2 C 13 55.404 0.03 B 1 NAG CC3 C 13 73.788 0.03 B 1 NAG CC4 C 13 69.747 0.03 B 1 NAG N2 N 15 124.597 0.03 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 CYS SG A 21 CYS SG 1.0 . 2.0 2 2 A 12 CYS SG A 21 CYS CB 1.0 . 3.0 3 3 A 21 CYS SG A 12 CYS CB 1.0 . 3.0 4 4 A 5 CYS SG A 28 CYS SG 1.0 . 2.0 5 5 A 5 CYS SG A 28 CYS CB 1.0 . 3.0 6 6 A 28 CYS SG A 5 CYS CB 1.0 . 3.0 7 7 A 43 CYS SG B 1 NAG C1 1.0 . 2.0 8 8 A 43 CYS SG B 1 NAG O5 1.0 . 2.2 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 PRO HGx A 4 TRP HE1 1.0 . 5.50 2 2 A 4 TRP HE1 A 2 PRO HGy 1.0 . 5.50 3 3 A 4 TRP HE1 A 2 PRO HBx 1.0 . 4.63 4 4 A 4 TRP HE1 A 2 PRO HBy 1.0 . 4.52 5 5 A 22 ASP HA A 25 TYR H 1.0 . 4.21 6 6 A 25 TYR H A 26 SER HBx 1.0 . 5.50 7 7 A 25 TYR H A 26 SER HBy 1.0 . 5.50 8 8 A 25 TYR H A 25 TYR HBx 1.0 . 3.62 9 9 A 25 TYR H A 24 MET HGx 1.0 . 5.29 10 10 A 25 TYR H A 24 MET HGy 1.0 . 5.50 11 11 A 24 MET HGy A 24 MET H 1.0 . 3.41 12 12 A 24 MET H A 28 CYS HBx 1.0 . 5.48 13 13 A 24 MET H A 24 MET HE1 1.0 . 4.13 14 14 A 21 CYS HBx A 22 ASP H 1.0 . 2.85 15 15 A 24 MET H A 23 TYR HBx 1.0 . 5.50 16 16 A 19 GLY H A 20 THR HB 1.0 . 5.50 17 17 A 19 GLY H A 17 ASP HA 1.0 . 5.11 18 18 A 19 GLY H A 18 SER HA 1.0 . 3.24 19 19 A 19 GLY H A 19 GLY HAx 1.0 . 2.72 20 20 A 19 GLY H A 19 GLY HAy 1.0 . 2.86 21 21 A 2 PRO HBy A 3 ALA H 1.0 . 3.76 22 22 A 2 PRO HGy A 3 ALA H 1.0 . 5.50 23 23 A 3 ALA H A 3 ALA HB% 1.0 . 2.79 24 24 A 2 PRO HBx A 3 ALA H 1.0 . 4.15 25 25 A 31 VAL HGy% A 33 HIS H 1.0 . 5.47 26 26 A 33 HIS H A 32 LYS HA 1.0 . 2.79 27 27 A 33 HIS H A 33 HIS HBx 1.0 . 3.68 28 28 A 33 HIS H A 33 HIS HBy 1.0 . 3.68 29 29 A 35 SER H A 35 SER HBx 1.0 . 4.10 30 30 A 33 HIS H A 25 TYR HE% 1.0 . 5.50 31 31 A 10 ALA HA A 12 CYS H 1.0 . 5.20 32 32 A 12 CYS H A 11 MET HGx 1.0 . 5.50 33 33 A 12 CYS H A 11 MET HBy 1.0 . 3.24 34 34 A 24 MET HE1 A 12 CYS H 1.0 . 5.03 35 35 A 12 CYS H A 12 CYS HBy 1.0 . 2.82 36 36 A 12 CYS H A 12 CYS HBx 1.0 . 3.59 37 37 A 12 CYS H A 11 MET HBx 1.0 . 3.61 38 38 A 35 SER H A 35 SER HBy 1.0 . 4.10 39 39 A 12 CYS H A 11 MET HGy 1.0 . 5.50 40 40 A 12 CYS HA A 13 GLY H 1.0 . 3.42 41 41 A 12 CYS HBx A 13 GLY H 1.0 . 3.42 42 42 A 13 GLY H A 14 ALA HB% 1.0 . 4.92 43 43 A 31 VAL HGy% A 28 CYS H 1.0 . 5.50 44 44 A 28 CYS H A 24 MET HA 1.0 . 3.41 45 45 A 28 CYS H A 27 HIS HA 1.0 . 3.46 46 46 A 28 CYS H A 28 CYS HBy 1.0 . 2.78 47 47 A 28 CYS H A 29 PHE HBx 1.0 . 5.50 48 48 A 28 CYS HBx A 28 CYS H 1.0 . 3.39 49 49 A 13 GLY H A 15 GLY HAy 1.0 . 5.19 50 50 A 12 CYS HBy A 13 GLY H 1.0 . 4.32 51 51 A 28 CYS H A 29 PHE HBy 1.0 . 4.22 52 52 A 17 ASP HA A 18 SER H 1.0 . 2.65 53 53 A 18 SER H A 17 ASP HBx 1.0 . 3.71 54 54 A 18 SER H A 20 THR HG21 1.0 . 3.78 55 55 A 20 THR HA A 21 CYS H 1.0 . 2.68 56 56 A 21 CYS H A 21 CYS HBy 1.0 . 2.85 57 57 A 28 CYS HBy A 26 SER H 1.0 . 4.15 58 58 A 24 MET HGy A 23 TYR H 1.0 . 5.50 59 59 A 23 TYR H A 24 MET HBy 1.0 . 5.08 60 60 A 26 SER H A 24 MET HBy 1.0 . 5.43 61 61 A 26 SER H A 24 MET HBx 1.0 . 5.22 62 62 A 28 CYS HBx A 26 SER H 1.0 . 5.45 63 63 A 31 VAL HGy% A 26 SER H 1.0 . 5.50 64 64 A 32 LYS H A 32 LYS HGy 1.0 . 4.57 65 65 A 29 PHE HBy A 32 LYS H 1.0 . 4.92 66 66 A 32 LYS H A 25 TYR HA 1.0 . 4.46 67 67 A 32 LYS H A 32 LYS HEx 1.0 . 5.50 68 68 A 32 LYS H A 32 LYS HEy 1.0 . 5.50 69 69 A 32 LYS H A 31 VAL HB 1.0 . 4.05 70 70 A 32 LYS H A 32 LYS HGx 1.0 . 4.57 71 71 A 31 VAL HGy% A 32 LYS H 1.0 . 3.46 72 72 A 41 TYR HA A 43 CYS H 1.0 . 4.45 73 73 A 43 CYS H A 42 HIS HA 1.0 . 3.17 74 74 A 43 CYS H A 42 HIS HBx 1.0 . 4.55 75 75 A 43 CYS H A 41 TYR HBy 1.0 . 3.46 76 76 A 17 ASP HBx A 17 ASP H 1.0 . 3.16 77 77 A 18 SER HA A 17 ASP H 1.0 . 5.32 78 78 A 17 ASP H A 16 TYR HBx 1.0 . 3.33 79 79 A 4 TRP HBx A 5 CYS H 1.0 . 3.79 80 80 A 5 CYS H A 23 TYR HBy 1.0 . 5.19 81 81 A 5 CYS H A 5 CYS HBy 1.0 . 2.83 82 82 A 2 PRO HGy A 5 CYS H 1.0 . 4.76 83 83 A 2 PRO HBx A 5 CYS H 1.0 . 4.30 84 84 A 20 THR HA A 20 THR H 1.0 . 2.92 85 85 A 19 GLY HAx A 20 THR H 1.0 . 3.09 86 86 A 20 THR H A 17 ASP HBy 1.0 . 3.73 87 87 A 17 ASP HA A 20 THR H 1.0 . 4.56 88 88 A 8 THR H A 8 THR HB 1.0 . 3.03 89 89 A 8 THR H A 7 TYR HBy 1.0 . 3.41 90 90 A 41 TYR HA A 42 HIS H 1.0 . 3.38 91 91 A 42 HIS H A 41 TYR HBx 1.0 . 4.72 92 92 A 8 THR H A 9 LEU HA 1.0 . 5.50 93 93 A 9 LEU HA A 11 MET H 1.0 . 5.50 94 94 A 34 SER H A 34 SER HBy 1.0 . 3.99 95 95 A 41 TYR HBy A 42 HIS H 1.0 . 4.39 96 96 A 11 MET H A 9 LEU HBy 1.0 . 4.17 97 97 A 26 SER HA A 27 HIS H 1.0 . 3.14 98 98 A 28 CYS HBx A 27 HIS H 1.0 . 5.50 99 99 A 25 TYR HA A 27 HIS H 1.0 . 3.98 100 100 A 27 HIS H A 27 HIS HBx 1.0 . 3.26 101 101 A 11 MET H A 11 MET HGy 1.0 . 3.76 102 102 A 11 MET H A 11 MET HGx 1.0 . 3.76 103 103 A 11 MET HBx A 11 MET H 1.0 . 3.64 104 104 A 11 MET H A 9 LEU HBx 1.0 . 4.92 105 105 A 11 MET H A 11 MET HE1 1.0 . 3.18 106 106 A 31 VAL HGy% A 27 HIS H 1.0 . 5.50 107 107 A 24 MET HE1 A 11 MET H 1.0 . 5.50 108 108 A 6 TRP HBx A 7 TYR H 1.0 . 3.61 109 109 A 7 TYR H A 7 TYR HBx 1.0 . 3.25 110 110 A 7 TYR H A 5 CYS HBx 1.0 . 5.15 111 111 A 7 TYR H A 6 TRP HA 1.0 . 3.56 112 112 A 8 THR HB A 9 LEU H 1.0 . 4.05 113 113 A 10 ALA HA A 9 LEU H 1.0 . 5.04 114 114 A 9 LEU H A 8 THR HA 1.0 . 3.25 115 115 A 9 LEU HBy A 9 LEU H 1.0 . 2.91 116 116 A 11 MET HE1 A 7 TYR H 1.0 . 5.11 117 117 A 9 LEU H A 10 ALA HB% 1.0 . 5.50 118 118 A 11 MET HE1 A 9 LEU H 1.0 . 5.50 119 119 A 31 VAL HGy% A 29 PHE H 1.0 . 4.05 120 120 A 16 TYR HBx A 15 GLY H 1.0 . 4.72 121 121 A 15 GLY H A 14 ALA HA 1.0 . 3.17 122 122 A 24 MET HA A 29 PHE H 1.0 . 3.45 123 123 A 15 GLY HAy A 15 GLY H 1.0 . 2.87 124 124 A 28 CYS HBx A 29 PHE H 1.0 . 3.90 125 125 A 14 ALA HB% A 15 GLY H 1.0 . 3.65 126 126 A 29 PHE H A 30 GLY HAx 1.0 . 5.12 127 127 A 27 HIS HA A 29 PHE H 1.0 . 4.62 128 128 A 12 CYS HA A 14 ALA H 1.0 . 4.43 129 129 A 14 ALA HB% A 14 ALA H 1.0 . 2.68 130 130 A 14 ALA HA A 16 TYR H 1.0 . 5.15 131 131 A 15 GLY HAy A 16 TYR H 1.0 . 3.56 132 132 A 14 ALA HB% A 16 TYR H 1.0 . 3.91 133 133 A 12 CYS HA A 16 TYR H 1.0 . 4.45 134 134 A 16 TYR HBx A 16 TYR H 1.0 . 2.99 135 135 A 16 TYR H A 15 GLY HAx 1.0 . 3.36 136 136 A 27 HIS HA A 30 GLY H 1.0 . 5.22 137 137 A 10 ALA HB% A 10 ALA H 1.0 . 2.95 138 138 A 23 TYR HBx A 4 TRP H 1.0 . 5.50 139 139 A 7 TYR HBy A 10 ALA H 1.0 . 5.50 140 140 A 30 GLY HAx A 30 GLY H 1.0 . 2.40 141 141 A 29 PHE HBy A 30 GLY H 1.0 . 3.85 142 142 A 29 PHE HBy A 31 VAL H 1.0 . 4.17 143 143 A 28 CYS HBy A 30 GLY H 1.0 . 5.50 144 144 A 29 PHE HBx A 30 GLY H 1.0 . 4.13 145 145 A 29 PHE HBx A 31 VAL H 1.0 . 4.41 146 146 A 28 CYS HBx A 30 GLY H 1.0 . 5.50 147 147 A 31 VAL HGy% A 31 VAL H 1.0 . 2.99 148 148 A 4 TRP H A 3 ALA HA 1.0 . 3.33 149 149 A 4 TRP HBx A 4 TRP H 1.0 . 3.15 150 150 A 2 PRO HBy A 4 TRP H 1.0 . 5.50 151 151 A 5 CYS HBy A 6 TRP H 1.0 . 3.66 152 152 A 5 CYS HBx A 6 TRP H 1.0 . 3.93 153 153 A 6 TRP HA A 6 TRP HE3 1.0 . 3.73 154 154 A 6 TRP HE3 A 6 TRP HBy 1.0 . 3.73 155 155 A 6 TRP HE3 A 7 TYR HA 1.0 . 4.49 156 156 A 4 TRP HE3 A 23 TYR HA 1.0 . 5.50 157 157 A 4 TRP HE3 A 4 TRP HBy 1.0 . 3.78 158 158 A 2 PRO HGy A 4 TRP HE3 1.0 . 5.43 159 159 A 2 PRO HA A 4 TRP HZ2 1.0 . 5.50 160 160 A 2 PRO HBy A 4 TRP HZ2 1.0 . 5.50 161 161 A 2 PRO HGy A 4 TRP HZ2 1.0 . 5.14 162 162 A 2 PRO HBx A 4 TRP HD1 1.0 . 4.40 163 163 A 4 TRP HBy A 4 TRP HD1 1.0 . 3.56 164 164 A 3 ALA HB% A 4 TRP HD1 1.0 . 4.87 165 165 A 33 HIS HA A 33 HIS HD2 1.0 . 5.50 166 166 A 42 HIS HA A 42 HIS HD2 1.0 . 5.50 167 167 A 16 TYR HA A 16 TYR HD% 1.0 . 3.52 168 168 A 14 ALA HB% A 16 TYR HD% 1.0 . 3.92 169 169 A 6 TRP HA A 6 TRP HD1 1.0 . 4.70 170 170 A 14 ALA HA A 16 TYR HD% 1.0 . 5.50 171 171 A 6 TRP HBx A 6 TRP HD1 1.0 . 3.33 172 172 A 28 CYS HA A 29 PHE HE% 1.0 . 5.50 173 173 A 5 CYS HBy A 29 PHE HE% 1.0 . 4.78 174 174 A 41 TYR HA A 41 TYR HD% 1.0 . 4.20 175 175 A 11 MET HBy A 16 TYR HD% 1.0 . 4.91 176 176 A 11 MET HBy A 29 PHE HE% 1.0 . 5.38 177 177 A 11 MET HE1 A 29 PHE HE% 1.0 . 4.57 178 178 A 12 CYS HA A 16 TYR HD% 1.0 . 5.50 179 179 A 15 GLY HAx A 16 TYR HD% 1.0 . 5.50 180 180 A 16 TYR HD% A 11 MET HA 1.0 . 4.80 181 181 A 8 THR HA A 29 PHE HE% 1.0 . 5.28 182 182 A 11 MET HBx A 16 TYR HD% 1.0 . 4.49 183 183 A 41 TYR HD% A 43 CYS HA 1.0 . 4.05 184 184 A 7 TYR HA A 7 TYR HD% 1.0 . 4.08 185 185 A 29 PHE HE% A 5 CYS HA 1.0 . 4.59 186 186 A 28 CYS HBy A 29 PHE HE% 1.0 . 5.05 187 187 A 9 LEU HA A 7 TYR HD% 1.0 . 5.50 188 188 A 9 LEU HA A 29 PHE HE% 1.0 . 5.50 189 189 A 29 PHE HE% A 29 PHE HA 1.0 . 4.90 190 190 A 23 TYR HBy A 29 PHE HE% 1.0 . 4.78 191 191 A 24 MET HGx A 29 PHE HE% 1.0 . 4.04 192 192 A 24 MET HGy A 29 PHE HE% 1.0 . 4.63 193 193 A 5 CYS HBx A 29 PHE HE% 1.0 . 4.36 194 194 A 24 MET HBy A 29 PHE HE% 1.0 . 5.50 195 195 A 24 MET HBx A 29 PHE HE% 1.0 . 5.34 196 196 A 28 CYS HBx A 29 PHE HE% 1.0 . 4.35 197 197 A 9 LEU HBy A 29 PHE HE% 1.0 . 4.67 198 198 A 9 LEU HBx A 29 PHE HE% 1.0 . 5.50 199 199 A 7 TYR HD% A 9 LEU HG 1.0 . 5.50 200 200 A 42 HIS HA A 41 TYR HD% 1.0 . 4.21 201 201 A 24 MET HA A 29 PHE HE% 1.0 . 3.94 202 202 A 24 MET HE1 A 29 PHE HE% 1.0 . 4.12 203 203 A 4 TRP HA A 23 TYR HD% 1.0 . 4.51 204 204 A 28 CYS HA A 29 PHE HD% 1.0 . 4.96 205 205 A 22 ASP HA A 25 TYR HD% 1.0 . 4.71 206 206 A 31 VAL HGy% A 25 TYR HD% 1.0 . 4.20 207 207 A 29 PHE HA A 29 PHE HD% 1.0 . 3.23 208 208 A 5 CYS HA A 23 TYR HD% 1.0 . 4.12 209 209 A 23 TYR HA A 23 TYR HD% 1.0 . 2.79 210 210 A 24 MET HA A 29 PHE HD% 1.0 . 3.07 211 211 A 5 CYS HBx A 29 PHE HD% 1.0 . 4.85 212 212 A 28 CYS HBx A 29 PHE HD% 1.0 . 3.68 213 213 A 2 PRO HGy A 4 TRP HH2 1.0 . 4.38 214 214 A 25 TYR HD% A 32 LYS HBx 1.0 . 5.50 215 215 A 24 MET HE1 A 23 TYR HD% 1.0 . 3.32 216 216 A 25 TYR HD% A 32 LYS HBy 1.0 . 5.50 217 217 A 10 ALA HB% A 29 PHE HD% 1.0 . 5.50 218 218 A 8 THR HA A 29 PHE HD% 1.0 . 3.94 219 219 A 27 HIS HBx A 27 HIS HD2 1.0 . 3.88 220 220 A 24 MET HBy A 25 TYR HD% 1.0 . 4.44 221 221 A 24 MET HBx A 25 TYR HD% 1.0 . 4.37 222 222 A 24 MET HBx A 29 PHE HD% 1.0 . 5.04 223 223 A 27 HIS HA A 27 HIS HD2 1.0 . 4.91 224 224 A 2 PRO HBy A 4 TRP HZ3 1.0 . 5.50 225 225 A 31 VAL HGy% A 29 PHE HD% 1.0 . 4.39 226 226 A 24 MET HGx A 25 TYR HD% 1.0 . 5.50 227 227 A 24 MET HGy A 25 TYR HD% 1.0 . 5.50 228 228 A 14 ALA HB% A 16 TYR HEx 1.0 . 4.15 229 229 A 24 MET HE1 A 29 PHE HZ 1.0 . 4.46 230 230 A 16 TYR HBx A 16 TYR HEx 1.0 . 4.88 231 231 A 5 CYS HBy A 29 PHE HZ 1.0 . 5.42 232 232 A 5 CYS HBx A 29 PHE HZ 1.0 . 5.08 233 233 A 6 TRP HA A 29 PHE HZ 1.0 . 5.50 234 234 A 16 TYR HBy A 16 TYR HEy 1.0 . 4.89 235 235 A 22 ASP HBy A 23 TYR HE% 1.0 . 5.02 236 236 A 23 TYR HA A 23 TYR HE% 1.0 . 4.90 237 237 A 24 MET HGx A 25 TYR HE% 1.0 . 5.50 238 238 A 25 TYR HE% A 25 TYR HA 1.0 . 5.50 239 239 A 32 LYS HA A 25 TYR HE% 1.0 . 5.50 240 240 A 25 TYR HE% A 21 CYS HBy 1.0 . 4.65 241 241 A 17 ASP HA A 12 CYS HBx 1.0 . 5.50 242 242 A 28 CYS H A 29 PHE HA 1.0 . 4.77 243 243 A 31 VAL HGy% A 30 GLY HAx 1.0 . 5.50 244 244 A 31 VAL HGy% A 30 GLY HAy 1.0 . 5.50 245 245 A 24 MET HE1 A 4 TRP HBx 1.0 . 5.10 246 246 A 28 CYS HBx A 29 PHE HBy 1.0 . 4.64 247 247 A 24 MET HE1 A 12 CYS HBy 1.0 . 5.08 248 248 A 31 VAL HGy% A 29 PHE HBy 1.0 . 3.56 249 249 A 24 MET HE1 A 23 TYR HBy 1.0 . 3.61 250 250 A 28 CYS HBx A 23 TYR HBy 1.0 . 4.71 251 251 A 11 MET HBx A 16 TYR HBy 1.0 . 4.02 252 252 A 24 MET HE1 A 21 CYS HBx 1.0 . 5.50 253 253 A 11 MET HBx A 16 TYR HBx 1.0 . 3.84 254 254 A 24 MET HGx A 24 MET HE1 1.0 . 3.40 255 255 A 17 ASP HBx A 20 THR HG21 1.0 . 3.80 256 256 A 28 CYS HBx A 5 CYS HBy 1.0 . 4.46 257 257 A 2 PRO HGy A 5 CYS HBy 1.0 . 5.50 258 258 A 24 MET HGy A 24 MET HE1 1.0 . 3.75 259 259 A 29 PHE HBx A 31 VAL HGx% 1.0 . 4.74 260 260 A 31 VAL HGy% A 29 PHE HBx 1.0 . 5.44 261 261 A 28 CYS HBx A 5 CYS HBx 1.0 . 3.30 262 262 A 24 MET HE1 A 24 MET HBy 1.0 . 3.54 263 263 A 29 PHE HBy A 8 THR HA 1.0 . 4.75 264 264 A 8 THR HA A 10 ALA H 1.0 . 4.16 265 265 A 19 GLY HAy A 17 ASP H 1.0 . 5.50 266 266 A 43 CYS H B 1 NAG HO6 1.0 . 5.50 267 267 A 14 ALA H A 11 MET HA 1.0 . 4.99 268 268 A 34 SER H A 34 SER HBx 1.0 . 3.99 269 269 A 5 CYS H A 4 TRP HBy 1.0 . 4.06 270 270 A 4 TRP H A 4 TRP HBy 1.0 . 3.77 271 271 A 6 TRP H A 6 TRP HBy 1.0 . 3.49 272 272 A 41 TYR HD% A 43 CYS HBy 1.0 . 4.97 273 273 A 7 TYR H A 6 TRP HBy 1.0 . 3.29 274 274 A 4 TRP HBx A 4 TRP HE3 1.0 . 3.62 275 275 A 4 TRP HBx A 23 TYR HD% 1.0 . 3.57 276 276 A 22 ASP H A 21 CYS HBy 1.0 . 3.21 277 277 A 4 TRP HBx A 23 TYR HE% 1.0 . 4.73 278 278 A 6 TRP HBx A 6 TRP H 1.0 . 3.06 279 279 A 12 CYS HBy A 20 THR H 1.0 . 5.23 280 280 A 41 TYR HE% A 42 HIS HBy 1.0 . 5.45 281 281 A 23 TYR HBy A 4 TRP HE3 1.0 . 5.50 282 282 A 24 MET H A 23 TYR HBy 1.0 . 3.55 283 283 A 43 CYS H A 42 HIS HBy 1.0 . 4.55 284 284 A 25 TYR H A 25 TYR HBy 1.0 . 2.72 285 285 A 29 PHE HBy A 29 PHE H 1.0 . 3.55 286 286 A 21 CYS HBy A 25 TYR HD% 1.0 . 2.68 287 287 A 23 TYR H A 23 TYR HBy 1.0 . 2.78 288 288 A 12 CYS HBx A 14 ALA H 1.0 . 5.12 289 289 A 41 TYR HE% A 42 HIS HBx 1.0 . 5.45 290 290 A 12 CYS HBx A 20 THR H 1.0 . 5.50 291 291 A 12 CYS HBx A 17 ASP H 1.0 . 5.50 292 292 A 7 TYR HBy A 9 LEU H 1.0 . 2.97 293 293 A 23 TYR H A 22 ASP HBy 1.0 . 2.81 294 294 A 21 CYS HBx A 25 TYR HD% 1.0 . 4.49 295 295 A 17 ASP H A 16 TYR HBy 1.0 . 3.61 296 296 A 13 GLY H A 16 TYR HBy 1.0 . 5.50 297 297 A 41 TYR HBy A 41 TYR H 1.0 . 3.28 298 298 A 14 ALA H A 16 TYR HBy 1.0 . 5.29 299 299 A 22 ASP H A 22 ASP HBy 1.0 . 2.95 300 300 A 16 TYR H A 16 TYR HBy 1.0 . 3.49 301 301 A 41 TYR HD% A 43 CYS HBx 1.0 . 4.97 302 302 A 7 TYR HBx A 9 LEU H 1.0 . 4.36 303 303 A 22 ASP H A 22 ASP HBx 1.0 . 3.61 304 304 A 18 SER H A 17 ASP HBy 1.0 . 3.26 305 305 A 23 TYR H A 22 ASP HBx 1.0 . 3.66 306 306 A 19 GLY H A 17 ASP HBy 1.0 . 4.99 307 307 A 13 GLY H A 16 TYR HBx 1.0 . 4.82 308 308 A 12 CYS H A 16 TYR HBx 1.0 . 5.50 309 309 A 13 GLY H A 17 ASP HBy 1.0 . 5.50 310 310 A 43 CYS H A 41 TYR HBx 1.0 . 5.13 311 311 A 16 TYR HBx A 14 ALA H 1.0 . 4.80 312 312 A 23 TYR HD% A 22 ASP HBx 1.0 . 3.72 313 313 A 28 CYS HBy A 29 PHE HD% 1.0 . 4.25 314 314 A 28 CYS HBy A 29 PHE H 1.0 . 3.86 315 315 A 24 MET HGx A 24 MET H 1.0 . 4.01 316 316 A 17 ASP HBx A 20 THR H 1.0 . 3.07 317 317 A 5 CYS HBy A 4 TRP H 1.0 . 5.50 318 318 A 24 MET HGy A 29 PHE HD% 1.0 . 3.72 319 319 A 29 PHE HBx A 29 PHE H 1.0 . 3.72 320 320 A 5 CYS H A 5 CYS HBx 1.0 . 3.68 321 321 A 25 TYR H A 24 MET HBy 1.0 . 3.37 322 322 A 24 MET H A 24 MET HBy 1.0 . 3.04 323 323 A 25 TYR H A 24 MET HBx 1.0 . 3.59 324 324 A 24 MET H A 24 MET HBx 1.0 . 3.63 325 325 A 1 LYS HA A 2 PRO HDx 1.0 . 3.31 326 326 A 6 TRP HBy A 7 TYR HA 1.0 . 4.90 327 327 A 4 TRP HBx A 23 TYR HA 1.0 . 4.94 328 328 A 4 TRP HBx A 5 CYS HA 1.0 . 4.04 329 329 A 22 ASP HA A 21 CYS HBy 1.0 . 4.63 330 330 A 24 MET HA A 29 PHE HBy 1.0 . 3.45 331 331 A 10 ALA HA A 29 PHE HBy 1.0 . 4.74 332 332 A 29 PHE HBy A 30 GLY HAx 1.0 . 5.50 333 333 A 29 PHE HBy A 30 GLY HAy 1.0 . 5.50 334 334 A 23 TYR HBy A 5 CYS HA 1.0 . 3.92 335 335 A 12 CYS HBx A 13 GLY HAy 1.0 . 5.50 336 336 A 12 CYS HBx A 13 GLY HAx 1.0 . 5.50 337 337 A 12 CYS HBx A 12 CYS HA 1.0 . 2.69 338 338 A 22 ASP HA A 25 TYR HBy 1.0 . 3.72 339 339 A 7 TYR HBy A 8 THR HA 1.0 . 5.06 340 340 A 12 CYS HA A 16 TYR HBy 1.0 . 3.97 341 341 A 11 MET HA A 16 TYR HBy 1.0 . 4.83 342 342 A 23 TYR HA A 22 ASP HBy 1.0 . 5.32 343 343 A 16 TYR HA A 16 TYR HBy 1.0 . 2.98 344 344 A 22 ASP HBy A 21 CYS HA 1.0 . 5.05 345 345 A 18 SER HA A 17 ASP HBy 1.0 . 4.67 346 346 A 19 GLY HAx A 17 ASP HBy 1.0 . 5.50 347 347 A 16 TYR HBx A 11 MET HA 1.0 . 4.05 348 348 A 12 CYS HA A 16 TYR HBx 1.0 . 4.70 349 349 A 23 TYR HA A 22 ASP HBx 1.0 . 3.82 350 350 A 32 LYS HA A 32 LYS HEx 1.0 . 5.50 351 351 A 32 LYS HA A 32 LYS HEy 1.0 . 5.50 352 352 A 20 THR HB A 17 ASP HBy 1.0 . 4.83 353 353 A 17 ASP HA A 17 ASP HBy 1.0 . 3.02 354 354 A 26 SER HA A 27 HIS HBx 1.0 . 4.40 355 355 A 24 MET HA A 28 CYS HBy 1.0 . 3.81 356 356 A 24 MET HGx A 24 MET HA 1.0 . 3.60 357 357 A 5 CYS HBy A 1 LYS HA 1.0 . 5.20 358 358 A 17 ASP HBx A 20 THR HA 1.0 . 5.50 359 359 A 24 MET HGy A 24 MET HA 1.0 . 3.32 360 360 A 24 MET HGy A 5 CYS HA 1.0 . 5.33 361 361 A 24 MET HA A 29 PHE HBx 1.0 . 4.96 362 362 A 24 MET HA A 24 MET HBx 1.0 . 2.94 363 363 A 8 THR H A 9 LEU HBy 1.0 . 5.50 364 364 A 9 LEU HBy A 10 ALA H 1.0 . 3.30 365 365 A 9 LEU HBy A 29 PHE HZ 1.0 . 5.50 366 366 A 10 ALA HA A 9 LEU HBy 1.0 . 5.41 367 367 A 32 LYS H A 32 LYS HBy 1.0 . 3.70 368 368 A 9 LEU HBx A 9 LEU H 1.0 . 3.55 369 369 A 9 LEU HBx A 10 ALA H 1.0 . 3.49 370 370 A 9 LEU H A 9 LEU HG 1.0 . 4.02 371 371 A 9 LEU HA A 9 LEU HG 1.0 . 3.98 372 372 A 32 LYS H A 32 LYS HBx 1.0 . 3.70 373 373 A 3 ALA HB% A 4 TRP HA 1.0 . 5.40 374 374 A 3 ALA HB% A 4 TRP HBy 1.0 . 5.50 375 375 A 3 ALA HB% A 5 CYS H 1.0 . 5.50 376 376 A 3 ALA HB% A 4 TRP H 1.0 . 3.57 377 377 A 7 TYR HA A 1 LYS HGx 1.0 . 5.50 378 378 A 14 ALA HB% A 15 GLY HAx 1.0 . 4.78 379 379 A 14 ALA HB% A 13 GLY HAx 1.0 . 5.50 380 380 A 14 ALA HB% A 11 MET HA 1.0 . 5.07 381 381 A 14 ALA HB% A 15 GLY HAy 1.0 . 5.40 382 382 A 14 ALA HB% A 17 ASP H 1.0 . 5.50 383 383 A 7 TYR HA A 1 LYS HGy 1.0 . 5.50 384 384 A 14 ALA HB% A 13 GLY HAy 1.0 . 5.50 385 385 A 14 ALA HB% A 16 TYR HBx 1.0 . 3.89 386 386 A 8 THR HA A 10 ALA HB% 1.0 . 5.50 387 387 A 10 ALA HB% A 11 MET HA 1.0 . 5.50 388 388 A 11 MET HE1 A 11 MET HA 1.0 . 5.50 389 389 A 7 TYR HBy A 11 MET HE1 1.0 . 5.50 390 390 A 12 CYS H A 10 ALA HB% 1.0 . 5.50 391 391 A 12 CYS H A 11 MET HE1 1.0 . 5.50 392 392 A 10 ALA HB% A 14 ALA H 1.0 . 5.50 393 393 A 11 MET HE1 A 7 TYR HBx 1.0 . 5.50 394 394 A 2 PRO HBx A 4 TRP H 1.0 . 4.00 395 395 A 20 THR HG21 A 17 ASP HBy 1.0 . 4.95 396 396 A 20 THR HG21 A 20 THR H 1.0 . 3.54 397 397 A 12 CYS HBx A 20 THR HG21 1.0 . 4.60 398 398 A 20 THR HG21 A 17 ASP H 1.0 . 5.21 399 399 A 12 CYS HBy A 20 THR HG21 1.0 . 5.30 400 400 A 24 MET HE1 A 22 ASP HBy 1.0 . 5.50 401 401 A 24 MET HE1 A 4 TRP HE3 1.0 . 5.50 402 402 A 25 TYR H A 24 MET HE1 1.0 . 4.55 403 403 A 9 LEU H A 8 THR HG21 1.0 . 4.32 404 404 A 10 ALA H A 8 THR HG21 1.0 . 5.50 405 405 A 30 GLY H A 8 THR HG21 1.0 . 5.50 406 406 A 24 MET HE1 A 5 CYS HA 1.0 . 3.86 407 407 A 9 LEU HA A 8 THR HG21 1.0 . 4.76 408 408 A 8 THR HA A 8 THR HG21 1.0 . 3.01 409 409 A 24 MET HE1 A 23 TYR HBx 1.0 . 3.78 410 410 A 24 MET HE1 A 24 MET HBx 1.0 . 4.11 411 411 A 24 MET HE1 A 23 TYR H 1.0 . 5.38 412 412 A 29 PHE HBy A 8 THR HG21 1.0 . 4.56 413 413 A 8 THR H A 8 THR HG21 1.0 . 3.86 414 414 A 24 MET HE1 A 23 TYR HE% 1.0 . 5.50 415 415 A 24 MET HE1 A 24 MET HA 1.0 . 4.63 416 416 A 28 CYS HBx A 24 MET HE1 1.0 . 4.13 417 417 A 23 TYR HBx A 4 TRP HBy 1.0 . 3.74 418 418 A 1 LYS HA A 2 PRO HDy 1.0 . 3.31 419 419 A 16 TYR HD% A 16 TYR HEy 1.0 . 3.14 420 420 A 16 TYR HD% A 16 TYR HEx 1.0 . 3.37 421 421 A 6 TRP H A 29 PHE HE% 1.0 . 3.50 422 422 A 10 ALA H A 29 PHE HE% 1.0 . 3.85 423 423 A 4 TRP H A 4 TRP HD1 1.0 . 3.56 424 424 A 8 THR H A 7 TYR HD% 1.0 . 4.03 425 425 A 17 ASP H A 16 TYR HD% 1.0 . 4.83 426 426 A 23 TYR H A 23 TYR HD% 1.0 . 3.39 427 427 A 22 ASP H A 25 TYR HD% 1.0 . 4.43 428 428 A 24 MET H A 25 TYR HD% 1.0 . 4.74 429 429 A 11 MET H A 29 PHE HD% 1.0 . 4.23 430 430 A 29 PHE H A 29 PHE HD% 1.0 . 3.75 431 431 A 10 ALA H A 29 PHE HD% 1.0 . 3.62 432 432 A 7 TYR H A 6 TRP H 1.0 . 2.89 433 433 A 17 ASP H A 16 TYR H 1.0 . 3.18 434 434 A 32 LYS H A 31 VAL H 1.0 . 3.40 435 435 A 3 ALA H A 4 TRP H 1.0 . 3.35 436 436 A 28 CYS H A 29 PHE H 1.0 . 3.01 437 437 A 9 LEU H A 10 ALA H 1.0 . 3.08 438 438 A 29 PHE H A 30 GLY H 1.0 . 3.36 439 439 A 11 MET H A 10 ALA H 1.0 . 3.08 440 440 A 8 THR H A 9 LEU H 1.0 . 2.71 441 441 A 26 SER H A 27 HIS H 1.0 . 3.15 442 442 A 28 CYS H A 27 HIS H 1.0 . 3.00 443 443 A 19 GLY H A 20 THR H 1.0 . 3.75 444 444 A 5 CYS H A 4 TRP H 1.0 . 3.52 445 445 A 19 GLY H A 18 SER H 1.0 . 3.80 446 446 A 13 GLY H A 14 ALA H 1.0 . 2.95 447 447 A 12 CYS H A 11 MET H 1.0 . 3.19 448 448 A 33 HIS H A 32 LYS H 1.0 . 5.12 449 449 A 35 SER H A 36 GLY H 1.0 . 5.35 450 450 A 22 ASP H A 23 TYR H 1.0 . 2.82 451 451 A 24 MET H A 23 TYR H 1.0 . 3.00 452 452 A 25 TYR H A 26 SER H 1.0 . 2.99 453 453 A 25 TYR H A 24 MET H 1.0 . 3.11 454 454 A 11 MET HBy A 11 MET H 1.0 . 2.76 455 455 A 23 TYR HBx A 23 TYR H 1.0 . 3.60 456 456 A 25 TYR H A 25 TYR HD% 1.0 . 3.77 457 457 A 28 CYS H A 29 PHE HD% 1.0 . 3.57 458 458 A 18 SER H A 20 THR H 1.0 . 3.07 459 459 A 28 CYS HBx A 24 MET HA 1.0 . 4.19 460 460 A 28 CYS H A 30 GLY H 1.0 . 4.45 461 461 A 31 VAL HB A 31 VAL H 1.0 . 3.75 462 462 A 9 LEU HBy A 9 LEU HDx% 1.0 . 3.27 463 463 A 9 LEU HBy A 9 LEU HDy% 1.0 . 3.27 464 464 A 33 HIS H A 33 HIS HD2 1.0 . 5.33 465 465 A 10 ALA H A 29 PHE HZ 1.0 . 4.62 466 466 A 8 THR H A 7 TYR HBx 1.0 . 4.26 467 467 A 6 TRP HE3 A 7 TYR HE% 1.0 . 5.50 468 468 A 23 TYR H A 23 TYR HE% 1.0 . 5.50 469 469 A 9 LEU H A 7 TYR HD% 1.0 . 4.10 470 470 A 7 TYR H A 29 PHE HE% 1.0 . 4.54 471 471 A 9 LEU H A 29 PHE HE% 1.0 . 4.60 472 472 A 31 VAL HGx% A 31 VAL HA 1.0 . 3.32 473 473 A 31 VAL HGy% A 31 VAL HA 1.0 . 3.86 474 474 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.81 475 475 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.81 476 476 A 3 ALA H A 4 TRP HA 1.0 . 5.18 477 477 A 20 THR HA A 21 CYS HA 1.0 . 4.48 478 478 A 5 CYS H A 4 TRP HD1 1.0 . 5.21 479 479 A 3 ALA H A 4 TRP HD1 1.0 . 5.33 480 480 A 14 ALA H A 16 TYR HD% 1.0 . 5.18 481 481 A 15 GLY H A 16 TYR HD% 1.0 . 5.50 482 482 A 30 GLY HAy A 31 VAL HGx% 1.0 . 4.40 483 483 A 29 PHE HBy A 31 VAL HGx% 1.0 . 3.99 484 484 A 7 TYR H A 6 TRP HE3 1.0 . 4.67 485 485 A 5 CYS H A 4 TRP HE3 1.0 . 4.12 486 486 A 25 TYR H A 27 HIS H 1.0 . 5.48 487 487 A 4 TRP HE1 A 4 TRP H 1.0 . 5.50 488 488 A 1 LYS HA A 2 PRO HDy 1.0 . 2.62 489 488 A 1 LYS HA A 2 PRO HDx 1.0 . 2.62 490 489 A 1 LYS HBy A 2 PRO HDy 1.0 . 3.26 491 489 A 1 LYS HBx A 2 PRO HDy 1.0 . 3.26 492 489 A 2 PRO HDx A 1 LYS HBx 1.0 . 3.26 493 489 A 2 PRO HDx A 1 LYS HBy 1.0 . 3.26 494 490 A 5 CYS HBy A 1 LYS HBx 1.0 . 5.34 495 490 A 5 CYS HBy A 1 LYS HBy 1.0 . 5.34 496 491 A 1 LYS HGy A 2 PRO HDy 1.0 . 4.76 497 491 A 1 LYS HGx A 2 PRO HDy 1.0 . 4.76 498 491 A 2 PRO HDx A 1 LYS HGy 1.0 . 4.76 499 491 A 2 PRO HDx A 1 LYS HGx 1.0 . 4.76 500 492 A 7 TYR H A 1 LYS HGy 1.0 . 5.34 501 492 A 7 TYR H A 1 LYS HGx 1.0 . 5.34 502 493 A 7 TYR HD% A 1 LYS HGy 1.0 . 5.34 503 493 A 7 TYR HD% A 1 LYS HGx 1.0 . 5.34 504 494 A 5 CYS H A 1 LYS HDy 1.0 . 5.34 505 494 A 5 CYS H A 1 LYS HDx 1.0 . 5.34 506 495 A 6 TRP H A 1 LYS HDy 1.0 . 4.31 507 495 A 6 TRP H A 1 LYS HDx 1.0 . 4.31 508 496 A 6 TRP HBx A 1 LYS HDy 1.0 . 5.22 509 496 A 6 TRP HBx A 1 LYS HDx 1.0 . 5.22 510 497 A 6 TRP HBy A 1 LYS HDy 1.0 . 4.95 511 497 A 6 TRP HBy A 1 LYS HDx 1.0 . 4.95 512 498 A 6 TRP HE3 A 1 LYS HDy 1.0 . 5.34 513 498 A 6 TRP HE3 A 1 LYS HDx 1.0 . 5.34 514 499 A 7 TYR H A 1 LYS HDy 1.0 . 4.69 515 499 A 7 TYR H A 1 LYS HDx 1.0 . 4.69 516 500 A 7 TYR HD% A 1 LYS HEx 1.0 . 4.34 517 500 A 7 TYR HD% A 1 LYS HEy 1.0 . 4.34 518 501 A 6 TRP HBy A 9 LEU HDx% 1.0 . 5.44 519 501 A 6 TRP HBy A 9 LEU HDy% 1.0 . 5.44 520 502 A 6 TRP HE3 A 9 LEU HDx% 1.0 . 4.23 521 502 A 6 TRP HE3 A 9 LEU HDy% 1.0 . 4.23 522 503 A 7 TYR HBx A 9 LEU HDx% 1.0 . 4.98 523 503 A 7 TYR HBx A 9 LEU HDy% 1.0 . 4.98 524 504 A 7 TYR HD% A 9 LEU HDx% 1.0 . 3.69 525 504 A 7 TYR HD% A 9 LEU HDy% 1.0 . 3.69 526 505 A 7 TYR HE% A 9 LEU HDx% 1.0 . 4.48 527 505 A 7 TYR HE% A 9 LEU HDy% 1.0 . 4.48 528 506 A 8 THR HA A 9 LEU HDx% 1.0 . 5.27 529 506 A 8 THR HA A 9 LEU HDy% 1.0 . 5.27 530 507 A 9 LEU H A 9 LEU HDx% 1.0 . 3.49 531 507 A 9 LEU H A 9 LEU HDy% 1.0 . 3.49 532 508 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.20 533 508 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.20 534 509 A 9 LEU HBy A 9 LEU HDx% 1.0 . 2.70 535 509 A 9 LEU HBy A 9 LEU HDy% 1.0 . 2.70 536 510 A 9 LEU HBx A 9 LEU HDx% 1.0 . 2.82 537 510 A 9 LEU HBx A 9 LEU HDy% 1.0 . 2.82 538 511 A 9 LEU HBx A 11 MET HGy 1.0 . 5.34 539 511 A 9 LEU HBx A 11 MET HGx 1.0 . 5.34 540 512 A 10 ALA H A 9 LEU HDx% 1.0 . 4.85 541 512 A 10 ALA H A 9 LEU HDy% 1.0 . 4.85 542 513 A 11 MET H A 9 LEU HDx% 1.0 . 5.44 543 513 A 11 MET H A 9 LEU HDy% 1.0 . 5.44 544 514 A 11 MET HA A 9 LEU HDx% 1.0 . 5.44 545 514 A 11 MET HA A 9 LEU HDy% 1.0 . 5.44 546 515 A 9 LEU HDx% A 11 MET HGy 1.0 . 4.94 547 515 A 9 LEU HDy% A 11 MET HGy 1.0 . 4.94 548 515 A 11 MET HGx A 9 LEU HDx% 1.0 . 4.94 549 515 A 9 LEU HDy% A 11 MET HGx 1.0 . 4.94 550 516 A 10 ALA H A 11 MET HGy 1.0 . 5.34 551 516 A 10 ALA H A 11 MET HGx 1.0 . 5.34 552 517 A 11 MET H A 11 MET HGy 1.0 . 3.11 553 517 A 11 MET H A 11 MET HGx 1.0 . 3.11 554 518 A 16 TYR HD% A 11 MET HGy 1.0 . 5.34 555 518 A 16 TYR HD% A 11 MET HGx 1.0 . 5.34 556 519 A 16 TYR HEy A 11 MET HGy 1.0 . 4.59 557 519 A 16 TYR HEy A 11 MET HGx 1.0 . 4.59 558 520 A 29 PHE HE% A 11 MET HGy 1.0 . 5.34 559 520 A 29 PHE HE% A 11 MET HGx 1.0 . 5.34 560 521 A 15 GLY H A 13 GLY HAx 1.0 . 4.72 561 521 A 15 GLY H A 13 GLY HAy 1.0 . 4.72 562 522 A 17 ASP H A 13 GLY HAx 1.0 . 5.34 563 522 A 17 ASP H A 13 GLY HAy 1.0 . 5.34 564 523 A 20 THR H A 13 GLY HAx 1.0 . 5.34 565 523 A 20 THR H A 13 GLY HAy 1.0 . 5.34 566 524 A 17 ASP HBy A 18 SER HBy 1.0 . 5.34 567 524 A 17 ASP HBy A 18 SER HBx 1.0 . 5.34 568 525 A 18 SER H A 18 SER HBy 1.0 . 3.08 569 525 A 18 SER H A 18 SER HBx 1.0 . 3.08 570 526 A 20 THR HG21 A 18 SER HBy 1.0 . 4.62 571 526 A 20 THR HG21 A 18 SER HBx 1.0 . 4.62 572 527 A 23 TYR HA A 26 SER HBy 1.0 . 3.18 573 527 A 23 TYR HA A 26 SER HBx 1.0 . 3.18 574 528 A 23 TYR HBy A 26 SER HBy 1.0 . 4.93 575 528 A 23 TYR HBy A 26 SER HBx 1.0 . 4.93 576 529 A 23 TYR HBx A 26 SER HBy 1.0 . 3.93 577 529 A 23 TYR HBx A 26 SER HBx 1.0 . 3.93 578 530 A 24 MET H A 26 SER HBy 1.0 . 5.01 579 530 A 24 MET H A 26 SER HBx 1.0 . 5.01 580 531 A 25 TYR H A 26 SER HBy 1.0 . 4.74 581 531 A 25 TYR H A 26 SER HBx 1.0 . 4.74 582 532 A 25 TYR HA A 32 LYS HGy 1.0 . 5.34 583 532 A 25 TYR HA A 32 LYS HGx 1.0 . 5.34 584 533 A 25 TYR HA A 32 LYS HEy 1.0 . 4.79 585 533 A 25 TYR HA A 32 LYS HEx 1.0 . 4.79 586 534 A 25 TYR HBy A 32 LYS HBy 1.0 . 5.34 587 534 A 25 TYR HBy A 32 LYS HBx 1.0 . 5.34 588 535 A 25 TYR HBx A 32 LYS HGy 1.0 . 5.34 589 535 A 25 TYR HBx A 32 LYS HGx 1.0 . 5.34 590 536 A 25 TYR HBx A 32 LYS HDx 1.0 . 5.34 591 536 A 25 TYR HBx A 32 LYS HDy 1.0 . 5.34 592 537 A 25 TYR HD% A 32 LYS HDx 1.0 . 4.60 593 537 A 25 TYR HD% A 32 LYS HDy 1.0 . 4.60 594 538 A 25 TYR HD% A 32 LYS HEy 1.0 . 4.38 595 538 A 25 TYR HD% A 32 LYS HEx 1.0 . 4.38 596 539 A 26 SER H A 26 SER HBy 1.0 . 2.53 597 539 A 26 SER H A 26 SER HBx 1.0 . 2.53 598 540 A 27 HIS H A 32 LYS HEy 1.0 . 5.34 599 540 A 27 HIS H A 32 LYS HEx 1.0 . 5.34 600 541 A 27 HIS HD2 A 32 LYS HBy 1.0 . 5.34 601 541 A 27 HIS HD2 A 32 LYS HBx 1.0 . 5.34 602 542 A 31 VAL H A 32 LYS HBy 1.0 . 4.61 603 542 A 31 VAL H A 32 LYS HBx 1.0 . 4.61 604 543 A 31 VAL HGy% A 32 LYS HEy 1.0 . 5.34 605 543 A 31 VAL HGy% A 32 LYS HEx 1.0 . 5.34 606 544 A 32 LYS H A 32 LYS HBy 1.0 . 3.03 607 544 A 32 LYS H A 32 LYS HBx 1.0 . 3.03 608 545 A 32 LYS H A 32 LYS HDx 1.0 . 5.34 609 545 A 32 LYS H A 32 LYS HDy 1.0 . 5.34 610 546 A 32 LYS HA A 32 LYS HDx 1.0 . 5.34 611 546 A 32 LYS HA A 32 LYS HDy 1.0 . 5.34 612 547 A 32 LYS HA A 33 HIS HBy 1.0 . 5.04 613 547 A 32 LYS HA A 33 HIS HBx 1.0 . 5.04 614 548 A 32 LYS HBy A 32 LYS HEy 1.0 . 4.68 615 548 A 32 LYS HBx A 32 LYS HEy 1.0 . 4.68 616 548 A 32 LYS HEx A 32 LYS HBy 1.0 . 4.68 617 548 A 32 LYS HEx A 32 LYS HBx 1.0 . 4.68 618 549 A 33 HIS H A 32 LYS HBy 1.0 . 4.15 619 549 A 33 HIS H A 32 LYS HBx 1.0 . 4.15 620 550 A 32 LYS HDy A 32 LYS HGy 1.0 . 2.34 621 550 A 32 LYS HDx A 32 LYS HGy 1.0 . 2.34 622 550 A 32 LYS HGx A 32 LYS HDx 1.0 . 2.34 623 550 A 32 LYS HGx A 32 LYS HDy 1.0 . 2.34 624 551 A 33 HIS H A 32 LYS HDx 1.0 . 5.34 625 551 A 33 HIS H A 32 LYS HDy 1.0 . 5.34 626 552 A 34 SER H A 33 HIS HBy 1.0 . 4.33 627 552 A 34 SER H A 33 HIS HBx 1.0 . 4.33 628 553 A 33 HIS HBx A 34 SER HBy 1.0 . 5.18 629 553 A 33 HIS HBy A 34 SER HBy 1.0 . 5.18 630 553 A 34 SER HBx A 33 HIS HBy 1.0 . 5.18 631 553 A 33 HIS HBx A 34 SER HBx 1.0 . 5.18 632 554 A 34 SER H A 34 SER HBy 1.0 . 3.21 633 554 A 34 SER H A 34 SER HBx 1.0 . 3.21 634 555 A 35 SER H A 35 SER HBy 1.0 . 3.52 635 555 A 35 SER H A 35 SER HBx 1.0 . 3.52 636 556 A 40 SER H A 40 SER HBx 1.0 . 3.29 637 556 A 40 SER H A 40 SER HBy 1.0 . 3.29 638 557 A 41 TYR HA A 42 HIS HBx 1.0 . 4.98 639 557 A 41 TYR HA A 42 HIS HBy 1.0 . 4.98 640 558 A 41 TYR HD% A 42 HIS HBx 1.0 . 5.34 641 558 A 41 TYR HD% A 42 HIS HBy 1.0 . 5.34 642 559 A 41 TYR HD% A 43 CYS HBx 1.0 . 4.16 643 559 A 41 TYR HD% A 43 CYS HBy 1.0 . 4.16 644 560 A 41 TYR HE% A 42 HIS HBx 1.0 . 4.74 645 560 A 41 TYR HE% A 42 HIS HBy 1.0 . 4.74 646 561 A 41 TYR HE% A 43 CYS HBx 1.0 . 5.34 647 561 A 41 TYR HE% A 43 CYS HBy 1.0 . 5.34 648 562 A 42 HIS H A 42 HIS HBx 1.0 . 3.02 649 562 A 42 HIS H A 42 HIS HBy 1.0 . 3.02 650 563 A 43 CYS H A 42 HIS HBx 1.0 . 3.85 651 563 A 43 CYS H A 42 HIS HBy 1.0 . 3.85 652 564 A 43 CYS H A 43 CYS HBx 1.0 . 3.65 653 564 A 43 CYS H A 43 CYS HBy 1.0 . 3.65 654 565 A 43 CYS HA A 43 CYS HBx 1.0 . 2.63 655 565 A 43 CYS HA A 43 CYS HBy 1.0 . 2.63 656 566 B 1 NAG HO6 A 43 CYS HBx 1.0 . 5.30 657 566 B 1 NAG HO6 A 43 CYS HBy 1.0 . 5.30 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type undefined _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 2 PRO C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -88.9 -26.9 PHI 2 2 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 TRP N 1.0 -5.1 54.9 PSI 3 3 A 4 TRP C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -122.5 -62.5 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 TRP N 1.0 157.7 217.7 PSI 5 5 A 8 THR C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -86.4 -26.4 PHI 6 6 A 9 LEU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 60.5 120.5 PHI 7 7 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 MET N 1.0 34.7 94.7 PSI 8 8 A 11 MET C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -130.4 169.6 PHI 9 9 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 GLY N 1.0 153.6 213.6 PSI 10 10 A 19 GLY C A 20 THR N A 20 THR CA A 20 THR C 1.0 -89.4 210.6 PHI 11 11 A 20 THR N A 20 THR CA A 20 THR C A 21 CYS N 1.0 135.8 165.8 PSI 12 12 A 20 THR C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -132.3 167.7 PHI 13 13 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ASP N 1.0 157.0 217.0 PSI 14 14 A 22 ASP C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -64.3 235.7 PHI 15 15 A 23 TYR N A 23 TYR CA A 23 TYR C A 24 MET N 1.0 -24.7 35.3 PSI 16 16 A 23 TYR C A 24 MET N A 24 MET CA A 24 MET C 1.0 -62.4 237.6 PHI 17 17 A 24 MET N A 24 MET CA A 24 MET C A 25 TYR N 1.0 -41.9 18.1 PSI 18 18 A 24 MET C A 25 TYR N A 25 TYR CA A 25 TYR C 1.0 -63.4 236.6 PHI 19 19 A 25 TYR N A 25 TYR CA A 25 TYR C A 26 SER N 1.0 -36.3 23.7 PSI 20 20 A 25 TYR C A 26 SER N A 26 SER CA A 26 SER C 1.0 -84.1 -24.1 PHI 21 21 A 26 SER N A 26 SER CA A 26 SER C A 27 HIS N 1.0 2.7 62.7 PSI 22 22 A 26 SER C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 56.0 116.0 PHI 23 23 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 CYS N 1.0 43.3 103.3 PSI 24 24 A 27 HIS C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -134.2 -74.2 PHI 25 25 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 PHE N 1.0 160.1 460.1 PSI 26 26 A 28 CYS C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -122.2 -62.2 PHI 27 27 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 GLY N 1.0 155.7 455.7 PSI 28 28 A 30 GLY C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -102.0 -42.0 PHI 29 29 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 LYS N 1.0 155.8 455.8 PSI 30 30 A 34 SER C A 35 SER N A 35 SER CA A 35 SER C 1.0 -101.8 -41.8 PHI 31 31 A 35 SER N A 35 SER CA A 35 SER C A 36 GLY N 1.0 155.9 455.9 PSI 32 32 A 41 TYR C A 42 HIS N A 42 HIS CA A 42 HIS C 1.0 -95.0 -35.0 PHI 33 33 A 42 HIS N A 42 HIS CA A 42 HIS C A 43 CYS N 1.0 123.9 423.9 PSI stop_ save_