data_nef_c18206_2loc 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 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 17 CYS SG 1 6 CYS SG 1 23 CYS SG 1 13 CYS SG 1 24 CYS SG 1 1 VAL C 1 2 DAL N 1 2 DAL C 1 3 GLU N 1 24 CYS C 1 25 NH2 N 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 VAL start . . 2 A 2 DAL middle . . 3 A 3 GLU middle . . 4 A 4 ARG middle . . 5 A 5 CYS middle -HG . 6 A 6 CYS middle -HG . 7 A 7 LYS middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 LYS middle . . 11 A 11 ARG middle . . 12 A 12 GLY middle . false 13 A 13 CYS middle -HG . 14 A 14 GLY middle . false 15 A 15 ARG middle . . 16 A 16 TRP middle . . 17 A 17 CYS middle -HG . 18 A 18 ARG middle . . 19 A 19 ASP middle . . 20 A 20 HIS middle . . 21 A 21 SER middle . . 22 A 22 ARG middle . . 23 A 23 CYS middle -HG . 24 A 24 CYS middle -HG . 25 A 25 NH2 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 1 VAL HA H 1 3.747 0.020 A 1 VAL HB H 1 2.168 0.020 A 1 VAL HGx% H 1 1.026 0.020 A 1 VAL HGy% H 1 1.026 0.020 A 1 VAL CA C 13 61.741 0.400 A 1 VAL CB C 13 32.836 0.400 A 1 VAL CGy C 13 20.405 0.400 A 1 VAL CGx C 13 19.721 0.400 A 2 ALA H H 1 8.954 0.020 A 2 ALA HA H 1 4.223 0.020 A 2 ALA HB% H 1 1.447 0.020 A 2 ALA CA C 13 52.960 0.400 A 2 ALA CB C 13 19.504 0.400 A 2 ALA N N 15 127.641 0.400 A 3 GLU H H 1 8.876 0.020 A 3 GLU HA H 1 4.050 0.020 A 3 GLU HBx H 1 2.034 0.020 A 3 GLU HBy H 1 2.034 0.020 A 3 GLU HGy H 1 2.384 0.020 A 3 GLU HGx H 1 2.197 0.020 A 3 GLU CA C 13 59.431 0.400 A 3 GLU CB C 13 29.019 0.400 A 3 GLU CG C 13 36.915 0.400 A 3 GLU N N 15 120.577 0.400 A 4 ARG H H 1 8.773 0.020 A 4 ARG HA H 1 4.306 0.020 A 4 ARG HBy H 1 1.928 0.020 A 4 ARG HBx H 1 1.873 0.020 A 4 ARG HDx H 1 3.132 0.020 A 4 ARG HDy H 1 3.132 0.020 A 4 ARG HE H 1 7.174 0.020 A 4 ARG HGy H 1 1.658 0.020 A 4 ARG HGx H 1 1.631 0.020 A 4 ARG CA C 13 57.199 0.400 A 4 ARG CB C 13 30.238 0.400 A 4 ARG CD C 13 43.457 0.400 A 4 ARG CG C 13 27.064 0.400 A 4 ARG N N 15 120.207 0.400 A 5 CYS H H 1 8.433 0.020 A 5 CYS HA H 1 4.769 0.020 A 5 CYS HBy H 1 3.242 0.020 A 5 CYS HBx H 1 3.154 0.020 A 5 CYS CA C 13 56.095 0.400 A 5 CYS CB C 13 39.361 0.400 A 5 CYS N N 15 118.725 0.400 A 6 CYS H H 1 8.334 0.020 A 6 CYS HA H 1 4.564 0.020 A 6 CYS HBy H 1 3.520 0.020 A 6 CYS HBx H 1 3.134 0.020 A 6 CYS CA C 13 56.254 0.400 A 6 CYS CB C 13 43.014 0.400 A 6 CYS N N 15 115.197 0.400 A 7 LYS H H 1 7.978 0.020 A 7 LYS HA H 1 4.325 0.020 A 7 LYS HBy H 1 1.879 0.020 A 7 LYS HBx H 1 1.781 0.020 A 7 LYS HDx H 1 1.663 0.020 A 7 LYS HDy H 1 1.663 0.020 A 7 LYS HEx H 1 2.977 0.020 A 7 LYS HEy H 1 2.977 0.020 A 7 LYS HGx H 1 1.398 0.020 A 7 LYS HGy H 1 1.398 0.020 A 7 LYS CA C 13 56.907 0.400 A 7 LYS CB C 13 32.909 0.400 A 7 LYS CD C 13 29.167 0.400 A 7 LYS CE C 13 42.055 0.400 A 7 LYS CG C 13 24.733 0.400 A 7 LYS N N 15 120.670 0.400 A 8 ASN H H 1 8.646 0.020 A 8 ASN HA H 1 4.803 0.020 A 8 ASN HBy H 1 2.905 0.020 A 8 ASN HBx H 1 2.725 0.020 A 8 ASN HD2x H 1 7.074 0.020 A 8 ASN HD2y H 1 7.721 0.020 A 8 ASN CA C 13 53.212 0.400 A 8 ASN CB C 13 38.828 0.400 A 8 ASN N N 15 117.984 0.400 A 8 ASN ND2 N 15 113.462 0.400 A 9 GLY H H 1 8.335 0.020 A 9 GLY HAx H 1 3.817 0.020 A 9 GLY HAy H 1 4.087 0.020 A 9 GLY CA C 13 45.747 0.400 A 9 GLY N N 15 108.754 0.400 A 10 LYS H H 1 8.623 0.020 A 10 LYS HA H 1 4.281 0.020 A 10 LYS HBx H 1 1.825 0.020 A 10 LYS HBy H 1 1.825 0.020 A 10 LYS HDx H 1 1.694 0.020 A 10 LYS HDy H 1 1.694 0.020 A 10 LYS HEx H 1 2.989 0.020 A 10 LYS HEy H 1 2.989 0.020 A 10 LYS HGx H 1 1.480 0.020 A 10 LYS HGy H 1 1.480 0.020 A 10 LYS CA C 13 57.687 0.400 A 10 LYS CB C 13 29.933 0.400 A 10 LYS CD C 13 29.255 0.400 A 10 LYS CE C 13 42.205 0.400 A 10 LYS CG C 13 25.139 0.400 A 10 LYS N N 15 121.997 0.400 A 11 ARG H H 1 8.339 0.020 A 11 ARG HA H 1 4.263 0.020 A 11 ARG HBy H 1 1.926 0.020 A 11 ARG HBx H 1 1.871 0.020 A 11 ARG HDx H 1 3.233 0.020 A 11 ARG HDy H 1 3.233 0.020 A 11 ARG HE H 1 7.256 0.020 A 11 ARG HGy H 1 1.717 0.020 A 11 ARG HGx H 1 1.665 0.020 A 11 ARG CA C 13 57.382 0.400 A 11 ARG CB C 13 30.037 0.400 A 11 ARG CD C 13 43.161 0.400 A 11 ARG CG C 13 27.091 0.400 A 11 ARG N N 15 119.929 0.400 A 12 GLY H H 1 8.099 0.020 A 12 GLY HAx H 1 3.920 0.020 A 12 GLY HAy H 1 4.114 0.020 A 12 GLY CA C 13 45.302 0.400 A 12 GLY N N 15 107.982 0.400 A 13 CYS H H 1 8.172 0.020 A 13 CYS HA H 1 4.723 0.020 A 13 CYS HBy H 1 3.342 0.020 A 13 CYS HBx H 1 3.118 0.020 A 13 CYS CA C 13 56.283 0.400 A 13 CYS CB C 13 43.127 0.400 A 13 CYS N N 15 118.834 0.400 A 14 GLY H H 1 8.499 0.020 A 14 GLY HAx H 1 3.964 0.020 A 14 GLY HAy H 1 4.276 0.020 A 14 GLY CA C 13 44.409 0.400 A 14 GLY N N 15 111.154 0.400 A 15 ARG H H 1 8.601 0.020 A 15 ARG HA H 1 3.813 0.020 A 15 ARG HBx H 1 1.923 0.020 A 15 ARG HBy H 1 1.923 0.020 A 15 ARG HDx H 1 3.230 0.020 A 15 ARG HDy H 1 3.230 0.020 A 15 ARG HE H 1 7.582 0.020 A 15 ARG HGy H 1 1.722 0.020 A 15 ARG HGx H 1 1.616 0.020 A 15 ARG CA C 13 60.119 0.400 A 15 ARG CB C 13 30.358 0.400 A 15 ARG CD C 13 43.338 0.400 A 15 ARG CG C 13 26.945 0.400 A 15 ARG N N 15 119.836 0.400 A 16 TRP H H 1 8.787 0.020 A 16 TRP HA H 1 4.410 0.020 A 16 TRP HBx H 1 3.387 0.020 A 16 TRP HBy H 1 3.387 0.020 A 16 TRP HD1 H 1 7.256 0.020 A 16 TRP HE1 H 1 10.086 0.020 A 16 TRP HE3 H 1 7.475 0.020 A 16 TRP HH2 H 1 7.065 0.020 A 16 TRP HZ2 H 1 7.097 0.020 A 16 TRP HZ3 H 1 7.057 0.020 A 16 TRP CA C 13 62.943 0.400 A 16 TRP CB C 13 28.730 0.400 A 16 TRP CD1 C 13 127.183 0.400 A 16 TRP CE3 C 13 120.929 0.400 A 16 TRP CH2 C 13 121.926 0.400 A 16 TRP CZ2 C 13 113.352 0.400 A 16 TRP CZ3 C 13 122.015 0.400 A 16 TRP N N 15 118.904 0.400 A 16 TRP NE1 N 15 130.543 0.400 A 17 CYS H H 1 9.016 0.020 A 17 CYS HA H 1 4.433 0.020 A 17 CYS HBy H 1 3.318 0.020 A 17 CYS HBx H 1 3.127 0.020 A 17 CYS CA C 13 59.092 0.400 A 17 CYS CB C 13 38.551 0.400 A 17 CYS N N 15 118.726 0.400 A 18 ARG H H 1 8.824 0.020 A 18 ARG HA H 1 3.947 0.020 A 18 ARG HBy H 1 1.911 0.020 A 18 ARG HBx H 1 1.810 0.020 A 18 ARG HDx H 1 3.240 0.020 A 18 ARG HDy H 1 3.240 0.020 A 18 ARG HE H 1 7.280 0.020 A 18 ARG HGx H 1 1.512 0.020 A 18 ARG HGy H 1 1.512 0.020 A 18 ARG CA C 13 59.992 0.400 A 18 ARG CB C 13 29.956 0.400 A 18 ARG CD C 13 43.382 0.400 A 18 ARG CG C 13 28.327 0.400 A 18 ARG N N 15 121.997 0.400 A 19 ASP H H 1 7.677 0.020 A 19 ASP HA H 1 4.441 0.020 A 19 ASP HBy H 1 2.344 0.020 A 19 ASP HBx H 1 2.072 0.020 A 19 ASP CA C 13 55.307 0.400 A 19 ASP CB C 13 40.997 0.400 A 19 ASP N N 15 116.281 0.400 A 20 HIS H H 1 7.523 0.020 A 20 HIS HA H 1 4.491 0.020 A 20 HIS HBy H 1 2.773 0.020 A 20 HIS HBx H 1 1.305 0.020 A 20 HIS HD2 H 1 6.459 0.020 A 20 HIS HE1 H 1 8.259 0.020 A 20 HIS CA C 13 56.841 0.400 A 20 HIS CB C 13 29.262 0.400 A 20 HIS CD2 C 13 119.865 0.400 A 20 HIS CE1 C 13 135.604 0.400 A 20 HIS N N 15 113.786 0.400 A 21 SER H H 1 8.084 0.020 A 21 SER HA H 1 4.868 0.020 A 21 SER HBy H 1 4.021 0.020 A 21 SER HBx H 1 3.937 0.020 A 21 SER CA C 13 57.831 0.400 A 21 SER CB C 13 66.406 0.400 A 21 SER N N 15 115.298 0.400 A 22 ARG H H 1 9.189 0.020 A 22 ARG HA H 1 4.412 0.020 A 22 ARG HBy H 1 1.996 0.020 A 22 ARG HBx H 1 1.798 0.020 A 22 ARG HDx H 1 3.204 0.020 A 22 ARG HDy H 1 3.204 0.020 A 22 ARG HE H 1 7.253 0.020 A 22 ARG HGx H 1 1.684 0.020 A 22 ARG HGy H 1 1.684 0.020 A 22 ARG CA C 13 57.038 0.400 A 22 ARG CB C 13 29.778 0.400 A 22 ARG CD C 13 43.153 0.400 A 22 ARG CG C 13 27.082 0.400 A 22 ARG N N 15 125.670 0.400 A 23 CYS H H 1 8.338 0.020 A 23 CYS HA H 1 4.497 0.020 A 23 CYS HBy H 1 3.451 0.020 A 23 CYS HBx H 1 3.253 0.020 A 23 CYS CA C 13 56.829 0.400 A 23 CYS CB C 13 44.527 0.400 A 23 CYS N N 15 116.441 0.400 A 24 CYS H H 1 7.803 0.020 A 24 CYS HA H 1 4.680 0.020 A 24 CYS HBy H 1 3.183 0.020 A 24 CYS HBx H 1 2.919 0.020 A 24 CYS CA C 13 55.303 0.400 A 24 CYS CB C 13 41.478 0.400 A 24 CYS N N 15 118.941 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 VAL HA A 1 VAL HB 1.0 0.0 3.36 2 2 A 1 VAL HA A 1 VAL HGx% 1.0 0.0 3.06 3 2 A 1 VAL HA A 1 VAL HGy% 1.0 0.0 3.06 4 3 A 1 VAL HA A 2 DAL H 1.0 0.0 4.07 5 4 A 1 VAL HA A 3 GLU H 1.0 0.0 4.86 6 5 A 1 VAL HB A 1 VAL HGx% 1.0 0.0 2.91 7 5 A 1 VAL HB A 1 VAL HGy% 1.0 0.0 2.91 8 6 A 1 VAL HB A 2 DAL H 1.0 0.0 5.45 9 7 A 1 VAL HB A 2 DAL HA 1.0 0.0 5.50 10 8 A 1 VAL HB A 3 GLU H 1.0 0.0 5.50 11 9 A 2 DAL H A 1 VAL HGx% 1.0 0.0 5.15 12 9 A 1 VAL HGy% A 2 DAL H 1.0 0.0 5.15 13 10 A 2 DAL HA A 1 VAL HGx% 1.0 0.0 4.17 14 10 A 1 VAL HGy% A 2 DAL HA 1.0 0.0 4.17 15 11 A 3 GLU H A 1 VAL HGx% 1.0 0.0 5.50 16 11 A 1 VAL HGy% A 3 GLU H 1.0 0.0 5.50 17 12 A 16 TRP HD1 A 1 VAL HGx% 1.0 0.0 5.50 18 12 A 1 VAL HGy% A 16 TRP HD1 1.0 0.0 5.50 19 13 A 16 TRP HE1 A 1 VAL HGx% 1.0 0.0 4.91 20 13 A 1 VAL HGy% A 16 TRP HE1 1.0 0.0 4.91 21 14 A 16 TRP HZ3 A 1 VAL HGx% 1.0 0.0 4.51 22 14 A 1 VAL HGy% A 16 TRP HZ3 1.0 0.0 4.51 23 15 A 16 TRP HZ2 A 1 VAL HGx% 1.0 0.0 5.05 24 15 A 1 VAL HGy% A 16 TRP HZ2 1.0 0.0 5.05 25 16 A 16 TRP HH2 A 1 VAL HGx% 1.0 0.0 4.72 26 16 A 1 VAL HGy% A 16 TRP HH2 1.0 0.0 4.72 27 17 A 2 DAL H A 2 DAL HA 1.0 0.0 5.38 28 18 A 2 DAL H A 2 DAL HB% 1.0 0.0 4.55 29 19 A 2 DAL H A 3 GLU H 1.0 0.0 4.68 30 20 A 2 DAL HA A 2 DAL HB% 1.0 0.0 3.06 31 21 A 2 DAL HA A 16 TRP HZ3 1.0 0.0 4.84 32 22 A 2 DAL HA A 16 TRP HZ2 1.0 0.0 5.50 33 23 A 2 DAL HA A 16 TRP HH2 1.0 0.0 4.41 34 24 A 3 GLU H A 2 DAL HB% 1.0 0.0 4.28 35 25 A 2 DAL HB% A 4 ARG H 1.0 0.0 4.45 36 26 A 2 DAL HB% A 16 TRP HE3 1.0 0.0 4.37 37 27 A 16 TRP HE1 A 2 DAL HB% 1.0 0.0 5.25 38 28 A 16 TRP HZ3 A 2 DAL HB% 1.0 0.0 3.42 39 29 A 16 TRP HZ2 A 2 DAL HB% 1.0 0.0 4.08 40 30 A 16 TRP HH2 A 2 DAL HB% 1.0 0.0 3.07 41 31 A 3 GLU H A 3 GLU HA 1.0 0.0 3.85 42 32 A 3 GLU H A 3 GLU HBx 1.0 0.0 3.75 43 32 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.75 44 33 A 3 GLU H A 3 GLU HGx 1.0 0.0 4.54 45 34 A 3 GLU H A 3 GLU HGy 1.0 0.0 4.75 46 35 A 3 GLU H A 4 ARG H 1.0 0.0 4.11 47 36 A 3 GLU HA A 3 GLU HBx 1.0 0.0 3.35 48 36 A 3 GLU HA A 3 GLU HBy 1.0 0.0 3.35 49 37 A 3 GLU HA A 3 GLU HGx 1.0 0.0 3.87 50 38 A 3 GLU HA A 3 GLU HGy 1.0 0.0 4.03 51 39 A 4 ARG H A 3 GLU HA 1.0 0.0 3.46 52 40 A 3 GLU HA A 5 CYS H 1.0 0.0 5.27 53 41 A 3 GLU HGx A 3 GLU HBx 1.0 0.0 3.43 54 41 A 3 GLU HBy A 3 GLU HGx 1.0 0.0 3.43 55 42 A 3 GLU HGy A 3 GLU HBx 1.0 0.0 3.72 56 42 A 3 GLU HBy A 3 GLU HGy 1.0 0.0 3.72 57 43 A 4 ARG H A 3 GLU HBx 1.0 0.0 4.06 58 43 A 4 ARG H A 3 GLU HBy 1.0 0.0 4.06 59 44 A 16 TRP HH2 A 3 GLU HBx 1.0 0.0 5.20 60 44 A 16 TRP HH2 A 3 GLU HBy 1.0 0.0 5.20 61 45 A 3 GLU HGx A 3 GLU HGy 1.0 0.0 2.80 62 46 A 4 ARG H A 3 GLU HGx 1.0 0.0 4.80 63 47 A 16 TRP HZ3 A 3 GLU HGx 1.0 0.0 5.31 64 48 A 16 TRP HH2 A 3 GLU HGx 1.0 0.0 5.50 65 49 A 4 ARG H A 3 GLU HGy 1.0 0.0 4.98 66 50 A 16 TRP HZ3 A 3 GLU HGy 1.0 0.0 5.27 67 51 A 16 TRP HH2 A 3 GLU HGy 1.0 0.0 5.08 68 52 A 4 ARG H A 4 ARG HA 1.0 0.0 3.46 69 53 A 4 ARG H A 4 ARG HBx 1.0 0.0 3.24 70 54 A 4 ARG H A 4 ARG HBy 1.0 0.0 3.68 71 55 A 4 ARG H A 4 ARG HGx 1.0 0.0 3.65 72 56 A 4 ARG H A 4 ARG HGy 1.0 0.0 3.58 73 57 A 4 ARG H A 4 ARG HDx 1.0 0.0 4.28 74 57 A 4 ARG H A 4 ARG HDy 1.0 0.0 4.28 75 58 A 4 ARG H A 5 CYS H 1.0 0.0 4.70 76 59 A 4 ARG HA A 4 ARG HBx 1.0 0.0 3.31 77 60 A 4 ARG HA A 4 ARG HBy 1.0 0.0 3.83 78 61 A 4 ARG HA A 4 ARG HGx 1.0 0.0 3.67 79 62 A 4 ARG HA A 4 ARG HGy 1.0 0.0 3.67 80 63 A 5 CYS H A 4 ARG HA 1.0 0.0 3.98 81 64 A 4 ARG HA A 7 LYS HBx 1.0 0.0 3.65 82 65 A 4 ARG HA A 7 LYS HGx 1.0 0.0 3.97 83 65 A 4 ARG HA A 7 LYS HGy 1.0 0.0 3.97 84 66 A 4 ARG HBx A 4 ARG HDx 1.0 0.0 3.16 85 66 A 4 ARG HBx A 4 ARG HDy 1.0 0.0 3.16 86 67 A 4 ARG HBx A 4 ARG HE 1.0 0.0 5.50 87 68 A 5 CYS H A 4 ARG HBx 1.0 0.0 4.82 88 69 A 16 TRP HZ3 A 4 ARG HBx 1.0 0.0 4.65 89 70 A 16 TRP HZ2 A 4 ARG HBx 1.0 0.0 5.50 90 71 A 16 TRP HH2 A 4 ARG HBx 1.0 0.0 4.12 91 72 A 4 ARG HBy A 4 ARG HDx 1.0 0.0 3.93 92 72 A 4 ARG HBy A 4 ARG HDy 1.0 0.0 3.93 93 73 A 5 CYS H A 4 ARG HBy 1.0 0.0 5.50 94 74 A 16 TRP HE3 A 4 ARG HBy 1.0 0.0 4.60 95 75 A 16 TRP HZ3 A 4 ARG HBy 1.0 0.0 4.61 96 76 A 16 TRP HH2 A 4 ARG HBy 1.0 0.0 5.50 97 77 A 4 ARG HGx A 4 ARG HDx 1.0 0.0 3.01 98 77 A 4 ARG HGx A 4 ARG HDy 1.0 0.0 3.01 99 78 A 4 ARG HGx A 4 ARG HE 1.0 0.0 5.50 100 79 A 5 CYS H A 4 ARG HGx 1.0 0.0 5.16 101 80 A 16 TRP HE3 A 4 ARG HGx 1.0 0.0 5.29 102 81 A 16 TRP HZ3 A 4 ARG HGx 1.0 0.0 4.56 103 82 A 16 TRP HZ2 A 4 ARG HGx 1.0 0.0 5.50 104 83 A 16 TRP HH2 A 4 ARG HGx 1.0 0.0 4.42 105 84 A 4 ARG HGy A 4 ARG HDx 1.0 0.0 2.95 106 84 A 4 ARG HGy A 4 ARG HDy 1.0 0.0 2.95 107 85 A 4 ARG HGy A 4 ARG HE 1.0 0.0 5.50 108 86 A 5 CYS H A 4 ARG HGy 1.0 0.0 5.15 109 87 A 4 ARG HGy A 8 ASN HD2x 1.0 0.0 4.94 110 88 A 16 TRP HZ3 A 4 ARG HGy 1.0 0.0 4.42 111 89 A 16 TRP HH2 A 4 ARG HGy 1.0 0.0 4.26 112 90 A 4 ARG HE A 4 ARG HDx 1.0 0.0 4.74 113 90 A 4 ARG HDy A 4 ARG HE 1.0 0.0 4.74 114 91 A 8 ASN HD2x A 4 ARG HDx 1.0 0.0 5.45 115 91 A 4 ARG HDy A 8 ASN HD2x 1.0 0.0 5.45 116 92 A 8 ASN HD2y A 4 ARG HDx 1.0 0.0 4.70 117 92 A 4 ARG HDy A 8 ASN HD2y 1.0 0.0 4.70 118 93 A 5 CYS H A 5 CYS HA 1.0 0.0 4.55 119 94 A 5 CYS H A 5 CYS HBx 1.0 0.0 4.45 120 95 A 5 CYS H A 5 CYS HBy 1.0 0.0 4.63 121 96 A 5 CYS H A 6 CYS H 1.0 0.0 4.69 122 97 A 5 CYS HA A 5 CYS HBx 1.0 0.0 5.23 123 98 A 5 CYS HA A 5 CYS HBy 1.0 0.0 4.81 124 99 A 5 CYS HA A 6 CYS H 1.0 0.0 5.50 125 100 A 5 CYS HA A 7 LYS H 1.0 0.0 4.76 126 101 A 5 CYS HBx A 5 CYS HBy 1.0 0.0 2.40 127 102 A 5 CYS HBx A 6 CYS H 1.0 0.0 4.61 128 103 A 5 CYS HBx A 17 CYS HA 1.0 0.0 4.64 129 104 A 5 CYS HBx A 21 SER HBx 1.0 0.0 3.58 130 105 A 5 CYS HBx A 21 SER HBy 1.0 0.0 3.92 131 106 A 5 CYS HBy A 6 CYS H 1.0 0.0 4.02 132 107 A 5 CYS HBy A 17 CYS HA 1.0 0.0 4.43 133 108 A 5 CYS HBy A 21 SER HBx 1.0 0.0 3.62 134 109 A 5 CYS HBy A 21 SER HBy 1.0 0.0 3.93 135 110 A 6 CYS H A 6 CYS HA 1.0 0.0 4.61 136 111 A 6 CYS H A 6 CYS HBx 1.0 0.0 4.48 137 112 A 6 CYS H A 6 CYS HBy 1.0 0.0 4.85 138 113 A 6 CYS H A 7 LYS H 1.0 0.0 4.55 139 114 A 6 CYS HA A 6 CYS HBx 1.0 0.0 4.30 140 115 A 6 CYS HA A 6 CYS HBy 1.0 0.0 3.89 141 116 A 7 LYS H A 6 CYS HA 1.0 0.0 3.77 142 117 A 6 CYS HA A 8 ASN H 1.0 0.0 5.23 143 118 A 6 CYS HBx A 6 CYS HBy 1.0 0.0 2.91 144 119 A 7 LYS H A 6 CYS HBx 1.0 0.0 4.41 145 120 A 7 LYS H A 6 CYS HBy 1.0 0.0 4.39 146 121 A 7 LYS H A 7 LYS HA 1.0 0.0 3.39 147 122 A 7 LYS HBx A 7 LYS H 1.0 0.0 3.50 148 123 A 7 LYS H A 7 LYS HBy 1.0 0.0 3.60 149 124 A 7 LYS H A 7 LYS HGx 1.0 0.0 3.88 150 124 A 7 LYS HGy A 7 LYS H 1.0 0.0 3.88 151 125 A 7 LYS H A 7 LYS HDx 1.0 0.0 4.74 152 125 A 7 LYS H A 7 LYS HDy 1.0 0.0 4.74 153 126 A 7 LYS H A 7 LYS HEx 1.0 0.0 5.50 154 126 A 7 LYS H A 7 LYS HEy 1.0 0.0 5.50 155 127 A 7 LYS H A 8 ASN H 1.0 0.0 3.86 156 128 A 7 LYS HBx A 7 LYS HA 1.0 0.0 3.24 157 129 A 7 LYS HA A 7 LYS HBy 1.0 0.0 2.87 158 130 A 7 LYS HA A 7 LYS HGx 1.0 0.0 3.43 159 130 A 7 LYS HGy A 7 LYS HA 1.0 0.0 3.43 160 131 A 7 LYS HA A 7 LYS HDx 1.0 0.0 3.47 161 131 A 7 LYS HA A 7 LYS HDy 1.0 0.0 3.47 162 132 A 8 ASN H A 7 LYS HA 1.0 0.0 3.58 163 133 A 7 LYS HA A 9 GLY H 1.0 0.0 4.14 164 134 A 7 LYS HBx A 8 ASN H 1.0 0.0 4.20 165 135 A 7 LYS HBx A 8 ASN HD2x 1.0 0.0 5.02 166 136 A 7 LYS HBx A 8 ASN HD2y 1.0 0.0 5.47 167 137 A 8 ASN H A 7 LYS HBy 1.0 0.0 3.93 168 138 A 8 ASN H A 7 LYS HGx 1.0 0.0 4.71 169 138 A 7 LYS HGy A 8 ASN H 1.0 0.0 4.71 170 139 A 8 ASN HD2x A 7 LYS HGx 1.0 0.0 5.25 171 139 A 7 LYS HGy A 8 ASN HD2x 1.0 0.0 5.25 172 140 A 8 ASN H A 7 LYS HDx 1.0 0.0 5.21 173 140 A 8 ASN H A 7 LYS HDy 1.0 0.0 5.21 174 141 A 8 ASN HD2y A 7 LYS HEx 1.0 0.0 5.15 175 141 A 8 ASN HD2y A 7 LYS HEy 1.0 0.0 5.15 176 142 A 8 ASN H A 8 ASN HA 1.0 0.0 3.36 177 143 A 8 ASN H A 8 ASN HBx 1.0 0.0 3.69 178 144 A 8 ASN H A 8 ASN HBy 1.0 0.0 3.91 179 145 A 8 ASN HD2x A 8 ASN H 1.0 0.0 5.11 180 146 A 8 ASN HD2y A 8 ASN H 1.0 0.0 5.50 181 147 A 8 ASN H A 9 GLY H 1.0 0.0 3.75 182 148 A 8 ASN HA A 8 ASN HBx 1.0 0.0 5.50 183 149 A 8 ASN HA A 8 ASN HBy 1.0 0.0 5.15 184 150 A 8 ASN HD2x A 8 ASN HA 1.0 0.0 4.06 185 151 A 8 ASN HD2y A 8 ASN HA 1.0 0.0 4.67 186 152 A 9 GLY H A 8 ASN HA 1.0 0.0 3.28 187 153 A 8 ASN HBx A 8 ASN HBy 1.0 0.0 3.00 188 154 A 8 ASN HD2x A 8 ASN HBx 1.0 0.0 3.08 189 155 A 8 ASN HD2y A 8 ASN HBx 1.0 0.0 3.78 190 156 A 9 GLY H A 8 ASN HBx 1.0 0.0 4.31 191 157 A 8 ASN HBx A 12 GLY H 1.0 0.0 5.31 192 158 A 8 ASN HBx A 12 GLY HAx 1.0 0.0 4.84 193 159 A 8 ASN HBx A 12 GLY HAy 1.0 0.0 5.08 194 160 A 8 ASN HD2x A 8 ASN HBy 1.0 0.0 3.28 195 161 A 8 ASN HD2y A 8 ASN HBy 1.0 0.0 4.03 196 162 A 9 GLY H A 8 ASN HBy 1.0 0.0 4.19 197 163 A 8 ASN HBy A 12 GLY H 1.0 0.0 5.04 198 164 A 8 ASN HBy A 12 GLY HAx 1.0 0.0 4.57 199 165 A 8 ASN HBy A 12 GLY HAy 1.0 0.0 5.01 200 166 A 8 ASN HD2x A 8 ASN HD2y 1.0 0.0 2.40 201 167 A 8 ASN HD2x A 11 ARG HBx 1.0 0.0 4.16 202 168 A 8 ASN HD2x A 11 ARG HBy 1.0 0.0 4.80 203 169 A 8 ASN HD2x A 12 GLY HAx 1.0 0.0 5.13 204 170 A 8 ASN HD2x A 12 GLY HAy 1.0 0.0 5.47 205 171 A 8 ASN HD2y A 11 ARG HBx 1.0 0.0 4.28 206 172 A 8 ASN HD2y A 11 ARG HBy 1.0 0.0 4.73 207 173 A 9 GLY H A 9 GLY HAx 1.0 0.0 3.03 208 174 A 9 GLY H A 9 GLY HAy 1.0 0.0 3.19 209 175 A 9 GLY H A 10 LYS H 1.0 0.0 4.44 210 176 A 9 GLY HAx A 9 GLY HAy 1.0 0.0 3.28 211 177 A 9 GLY HAx A 10 LYS H 1.0 0.0 3.73 212 178 A 9 GLY HAx A 11 ARG H 1.0 0.0 3.68 213 179 A 9 GLY HAy A 10 LYS H 1.0 0.0 3.61 214 180 A 9 GLY HAy A 11 ARG H 1.0 0.0 4.49 215 181 A 10 LYS H A 10 LYS HA 1.0 0.0 3.58 216 182 A 10 LYS H A 10 LYS HBx 1.0 0.0 3.82 217 182 A 10 LYS H A 10 LYS HBy 1.0 0.0 3.82 218 183 A 10 LYS H A 10 LYS HGx 1.0 0.0 4.25 219 183 A 10 LYS H A 10 LYS HGy 1.0 0.0 4.25 220 184 A 10 LYS H A 10 LYS HDx 1.0 0.0 5.21 221 184 A 10 LYS H A 10 LYS HDy 1.0 0.0 5.21 222 185 A 10 LYS H A 10 LYS HEx 1.0 0.0 5.50 223 185 A 10 LYS H A 10 LYS HEy 1.0 0.0 5.50 224 186 A 10 LYS H A 11 ARG H 1.0 0.0 3.87 225 187 A 10 LYS HA A 10 LYS HBx 1.0 0.0 3.24 226 187 A 10 LYS HA A 10 LYS HBy 1.0 0.0 3.24 227 188 A 10 LYS HA A 10 LYS HGx 1.0 0.0 3.44 228 188 A 10 LYS HA A 10 LYS HGy 1.0 0.0 3.44 229 189 A 10 LYS HA A 10 LYS HDx 1.0 0.0 3.78 230 189 A 10 LYS HA A 10 LYS HDy 1.0 0.0 3.78 231 190 A 11 ARG H A 10 LYS HA 1.0 0.0 3.32 232 191 A 10 LYS HA A 13 CYS H 1.0 0.0 4.46 233 192 A 11 ARG H A 10 LYS HBx 1.0 0.0 3.82 234 192 A 11 ARG H A 10 LYS HBy 1.0 0.0 3.82 235 193 A 11 ARG H A 10 LYS HGx 1.0 0.0 4.51 236 193 A 11 ARG H A 10 LYS HGy 1.0 0.0 4.51 237 194 A 11 ARG H A 11 ARG HA 1.0 0.0 3.12 238 195 A 11 ARG HBx A 11 ARG H 1.0 0.0 3.23 239 196 A 11 ARG HBy A 11 ARG H 1.0 0.0 3.72 240 197 A 11 ARG H A 11 ARG HGx 1.0 0.0 3.79 241 198 A 11 ARG H A 11 ARG HGy 1.0 0.0 3.64 242 199 A 11 ARG H A 11 ARG HDx 1.0 0.0 4.09 243 199 A 11 ARG H A 11 ARG HDy 1.0 0.0 4.09 244 200 A 12 GLY H A 11 ARG H 1.0 0.0 3.60 245 201 A 11 ARG HBx A 11 ARG HA 1.0 0.0 3.10 246 202 A 11 ARG HBy A 11 ARG HA 1.0 0.0 2.93 247 203 A 11 ARG HA A 11 ARG HGx 1.0 0.0 3.40 248 204 A 11 ARG HA A 11 ARG HGy 1.0 0.0 3.51 249 205 A 11 ARG HA A 11 ARG HDx 1.0 0.0 4.17 250 205 A 11 ARG HA A 11 ARG HDy 1.0 0.0 4.17 251 206 A 12 GLY H A 11 ARG HA 1.0 0.0 3.31 252 207 A 11 ARG HBx A 11 ARG HDx 1.0 0.0 3.50 253 207 A 11 ARG HBx A 11 ARG HDy 1.0 0.0 3.50 254 208 A 11 ARG HBx A 11 ARG HE 1.0 0.0 5.35 255 209 A 12 GLY H A 11 ARG HBx 1.0 0.0 4.23 256 210 A 11 ARG HBy A 11 ARG HDx 1.0 0.0 3.30 257 210 A 11 ARG HBy A 11 ARG HDy 1.0 0.0 3.30 258 211 A 11 ARG HBy A 11 ARG HE 1.0 0.0 4.47 259 212 A 12 GLY H A 11 ARG HBy 1.0 0.0 4.02 260 213 A 11 ARG HGx A 11 ARG HDx 1.0 0.0 3.19 261 213 A 11 ARG HGx A 11 ARG HDy 1.0 0.0 3.19 262 214 A 11 ARG HGx A 11 ARG HE 1.0 0.0 5.07 263 215 A 12 GLY H A 11 ARG HGx 1.0 0.0 5.18 264 216 A 11 ARG HGy A 11 ARG HDx 1.0 0.0 2.95 265 216 A 11 ARG HGy A 11 ARG HDy 1.0 0.0 2.95 266 217 A 11 ARG HGy A 11 ARG HE 1.0 0.0 4.75 267 218 A 12 GLY H A 11 ARG HGy 1.0 0.0 4.91 268 219 A 11 ARG HE A 11 ARG HDx 1.0 0.0 4.05 269 219 A 11 ARG HDy A 11 ARG HE 1.0 0.0 4.05 270 220 A 12 GLY H A 11 ARG HDx 1.0 0.0 5.50 271 220 A 12 GLY H A 11 ARG HDy 1.0 0.0 5.50 272 221 A 12 GLY H A 12 GLY HAx 1.0 0.0 3.17 273 222 A 12 GLY H A 12 GLY HAy 1.0 0.0 3.36 274 223 A 12 GLY H A 13 CYS H 1.0 0.0 3.61 275 224 A 12 GLY HAx A 12 GLY HAy 1.0 0.0 2.84 276 225 A 12 GLY HAx A 13 CYS H 1.0 0.0 3.67 277 226 A 12 GLY HAy A 13 CYS H 1.0 0.0 3.64 278 227 A 13 CYS H A 13 CYS HA 1.0 0.0 3.67 279 228 A 13 CYS H A 13 CYS HBx 1.0 0.0 3.73 280 229 A 13 CYS H A 13 CYS HBy 1.0 0.0 3.50 281 230 A 13 CYS H A 14 GLY H 1.0 0.0 5.00 282 231 A 13 CYS H A 24 CYS HBx 1.0 0.0 5.50 283 232 A 13 CYS H A 24 CYS HBy 1.0 0.0 5.25 284 233 A 13 CYS HA A 13 CYS HBx 1.0 0.0 3.97 285 234 A 13 CYS HA A 13 CYS HBy 1.0 0.0 4.22 286 235 A 13 CYS HA A 14 GLY H 1.0 0.0 3.30 287 236 A 13 CYS HA A 17 CYS HBy 1.0 0.0 4.51 288 237 A 13 CYS HA A 18 ARG H 1.0 0.0 5.05 289 238 A 13 CYS HBx A 13 CYS HBy 1.0 0.0 2.54 290 239 A 13 CYS HBx A 14 GLY H 1.0 0.0 4.55 291 240 A 13 CYS HBx A 24 CYS HA 1.0 0.0 5.32 292 241 A 13 CYS HBy A 14 GLY H 1.0 0.0 4.53 293 242 A 14 GLY H A 14 GLY HAx 1.0 0.0 3.62 294 243 A 14 GLY H A 14 GLY HAy 1.0 0.0 3.76 295 244 A 14 GLY H A 17 CYS HBx 1.0 0.0 3.91 296 245 A 14 GLY H A 17 CYS HBy 1.0 0.0 4.58 297 246 A 14 GLY HAx A 14 GLY HAy 1.0 0.0 3.15 298 247 A 14 GLY HAx A 15 ARG H 1.0 0.0 3.56 299 248 A 14 GLY HAy A 15 ARG H 1.0 0.0 3.37 300 249 A 15 ARG H A 15 ARG HA 1.0 0.0 3.52 301 250 A 15 ARG H A 15 ARG HBx 1.0 0.0 3.00 302 250 A 15 ARG H A 15 ARG HBy 1.0 0.0 3.00 303 251 A 15 ARG H A 15 ARG HGx 1.0 0.0 4.48 304 252 A 15 ARG H A 15 ARG HGy 1.0 0.0 4.43 305 253 A 15 ARG H A 15 ARG HDx 1.0 0.0 4.72 306 253 A 15 ARG H A 15 ARG HDy 1.0 0.0 4.72 307 254 A 15 ARG H A 16 TRP H 1.0 0.0 4.93 308 255 A 18 ARG H A 15 ARG H 1.0 0.0 4.86 309 256 A 15 ARG HA A 15 ARG HBx 1.0 0.0 2.86 310 256 A 15 ARG HA A 15 ARG HBy 1.0 0.0 2.86 311 257 A 15 ARG HA A 15 ARG HGx 1.0 0.0 4.01 312 258 A 15 ARG HA A 15 ARG HGy 1.0 0.0 4.13 313 259 A 15 ARG HA A 16 TRP H 1.0 0.0 4.94 314 260 A 18 ARG H A 15 ARG HA 1.0 0.0 3.92 315 261 A 15 ARG HA A 18 ARG HBx 1.0 0.0 3.71 316 262 A 15 ARG HA A 18 ARG HBy 1.0 0.0 3.02 317 263 A 15 ARG HA A 18 ARG HGx 1.0 0.0 4.47 318 263 A 15 ARG HA A 18 ARG HGy 1.0 0.0 4.47 319 264 A 15 ARG HA A 18 ARG HDx 1.0 0.0 3.35 320 264 A 15 ARG HA A 18 ARG HDy 1.0 0.0 3.35 321 265 A 15 ARG HA A 18 ARG HE 1.0 0.0 4.92 322 266 A 15 ARG HE A 15 ARG HBx 1.0 0.0 5.35 323 266 A 15 ARG HBy A 15 ARG HE 1.0 0.0 5.35 324 267 A 16 TRP H A 15 ARG HBx 1.0 0.0 3.86 325 267 A 15 ARG HBy A 16 TRP H 1.0 0.0 3.86 326 268 A 15 ARG HGx A 15 ARG HDx 1.0 0.0 3.23 327 268 A 15 ARG HGx A 15 ARG HDy 1.0 0.0 3.23 328 269 A 15 ARG HGx A 15 ARG HE 1.0 0.0 5.42 329 270 A 15 ARG HGy A 16 TRP HBx 1.0 0.0 5.50 330 270 A 15 ARG HGy A 16 TRP HBy 1.0 0.0 5.50 331 271 A 15 ARG HE A 15 ARG HDx 1.0 0.0 4.28 332 271 A 15 ARG HDy A 15 ARG HE 1.0 0.0 4.28 333 272 A 16 TRP H A 16 TRP HA 1.0 0.0 4.40 334 273 A 16 TRP H A 16 TRP HBx 1.0 0.0 3.74 335 273 A 16 TRP H A 16 TRP HBy 1.0 0.0 3.74 336 274 A 16 TRP H A 17 CYS H 1.0 0.0 5.50 337 275 A 16 TRP HA A 16 TRP HBx 1.0 0.0 3.12 338 275 A 16 TRP HBy A 16 TRP HA 1.0 0.0 3.12 339 276 A 16 TRP HD1 A 16 TRP HA 1.0 0.0 3.09 340 277 A 16 TRP HE1 A 16 TRP HA 1.0 0.0 4.67 341 278 A 16 TRP HA A 17 CYS H 1.0 0.0 5.50 342 279 A 16 TRP HA A 19 ASP H 1.0 0.0 5.33 343 280 A 16 TRP HA A 19 ASP HBx 1.0 0.0 4.26 344 281 A 16 TRP HA A 19 ASP HBy 1.0 0.0 3.97 345 282 A 16 TRP HA A 20 HIS HD2 1.0 0.0 4.65 346 283 A 16 TRP HD1 A 16 TRP HBx 1.0 0.0 2.60 347 283 A 16 TRP HD1 A 16 TRP HBy 1.0 0.0 2.60 348 284 A 16 TRP HE3 A 16 TRP HBx 1.0 0.0 2.99 349 284 A 16 TRP HE3 A 16 TRP HBy 1.0 0.0 2.99 350 285 A 16 TRP HE1 A 16 TRP HBx 1.0 0.0 4.38 351 285 A 16 TRP HE1 A 16 TRP HBy 1.0 0.0 4.38 352 286 A 17 CYS H A 16 TRP HBx 1.0 0.0 5.50 353 286 A 16 TRP HBy A 17 CYS H 1.0 0.0 5.50 354 287 A 18 ARG H A 16 TRP HBx 1.0 0.0 4.54 355 287 A 18 ARG H A 16 TRP HBy 1.0 0.0 4.54 356 288 A 20 HIS HD2 A 16 TRP HBx 1.0 0.0 5.50 357 288 A 16 TRP HBy A 20 HIS HD2 1.0 0.0 5.50 358 289 A 16 TRP HD1 A 16 TRP HE1 1.0 0.0 2.54 359 290 A 16 TRP HE1 A 16 TRP HE3 1.0 0.0 5.33 360 291 A 16 TRP HZ3 A 16 TRP HE3 1.0 0.0 2.82 361 292 A 16 TRP HE3 A 17 CYS HA 1.0 0.0 3.01 362 293 A 16 TRP HE3 A 17 CYS HBx 1.0 0.0 4.21 363 294 A 16 TRP HE3 A 17 CYS HBy 1.0 0.0 4.33 364 295 A 16 TRP HE3 A 20 HIS HBx 1.0 0.0 5.33 365 296 A 16 TRP HE3 A 20 HIS HBy 1.0 0.0 4.90 366 297 A 16 TRP HE3 A 21 SER HBx 1.0 0.0 4.94 367 298 A 16 TRP HE3 A 21 SER HBy 1.0 0.0 5.50 368 299 A 16 TRP HE1 A 16 TRP HZ2 1.0 0.0 2.87 369 300 A 16 TRP HE1 A 20 HIS HBy 1.0 0.0 5.21 370 301 A 16 TRP HE1 A 20 HIS HD2 1.0 0.0 4.42 371 302 A 16 TRP HE1 A 20 HIS HE1 1.0 0.0 4.61 372 303 A 16 TRP HZ3 A 17 CYS HA 1.0 0.0 3.79 373 304 A 16 TRP HZ3 A 20 HIS HBx 1.0 0.0 4.85 374 305 A 16 TRP HZ3 A 20 HIS HBy 1.0 0.0 4.56 375 306 A 16 TRP HZ2 A 20 HIS HBx 1.0 0.0 5.50 376 307 A 16 TRP HZ2 A 20 HIS HBy 1.0 0.0 4.54 377 308 A 16 TRP HH2 A 20 HIS HBx 1.0 0.0 4.64 378 309 A 16 TRP HH2 A 20 HIS HBy 1.0 0.0 3.91 379 310 A 17 CYS HA A 17 CYS H 1.0 0.0 5.50 380 311 A 17 CYS HBx A 17 CYS H 1.0 0.0 5.50 381 312 A 17 CYS HBy A 17 CYS H 1.0 0.0 5.50 382 313 A 18 ARG H A 17 CYS H 1.0 0.0 5.50 383 314 A 17 CYS HA A 17 CYS HBx 1.0 0.0 3.86 384 315 A 17 CYS HA A 17 CYS HBy 1.0 0.0 3.49 385 316 A 17 CYS HA A 18 ARG H 1.0 0.0 3.79 386 317 A 17 CYS HA A 20 HIS HBx 1.0 0.0 5.50 387 318 A 17 CYS HA A 20 HIS HBy 1.0 0.0 4.85 388 319 A 17 CYS HA A 21 SER H 1.0 0.0 4.07 389 320 A 17 CYS HA A 21 SER HBx 1.0 0.0 4.15 390 321 A 17 CYS HA A 21 SER HBy 1.0 0.0 4.35 391 322 A 17 CYS HBy A 17 CYS HBx 1.0 0.0 2.61 392 323 A 18 ARG H A 17 CYS HBx 1.0 0.0 3.81 393 324 A 17 CYS HBy A 18 ARG H 1.0 0.0 3.94 394 325 A 21 SER HBx A 17 CYS HBy 1.0 0.0 4.31 395 326 A 21 SER HBy A 17 CYS HBy 1.0 0.0 4.88 396 327 A 18 ARG H A 18 ARG HA 1.0 0.0 3.39 397 328 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.22 398 329 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.46 399 330 A 18 ARG H A 18 ARG HGx 1.0 0.0 3.82 400 330 A 18 ARG H A 18 ARG HGy 1.0 0.0 3.82 401 331 A 18 ARG H A 18 ARG HDx 1.0 0.0 4.70 402 331 A 18 ARG H A 18 ARG HDy 1.0 0.0 4.70 403 332 A 18 ARG H A 18 ARG HE 1.0 0.0 5.50 404 333 A 18 ARG H A 19 ASP H 1.0 0.0 3.72 405 334 A 24 CYS HBx A 18 ARG H 1.0 0.0 5.50 406 335 A 24 CYS HBy A 18 ARG H 1.0 0.0 4.67 407 336 A 18 ARG HBx A 18 ARG HA 1.0 0.0 3.14 408 337 A 18 ARG HBy A 18 ARG HA 1.0 0.0 3.30 409 338 A 18 ARG HA A 18 ARG HGx 1.0 0.0 3.30 410 338 A 18 ARG HGy A 18 ARG HA 1.0 0.0 3.30 411 339 A 18 ARG HA A 18 ARG HDx 1.0 0.0 3.83 412 339 A 18 ARG HDy A 18 ARG HA 1.0 0.0 3.83 413 340 A 18 ARG HE A 18 ARG HA 1.0 0.0 5.42 414 341 A 19 ASP H A 18 ARG HA 1.0 0.0 4.88 415 342 A 18 ARG HA A 20 HIS H 1.0 0.0 5.15 416 343 A 18 ARG HBx A 18 ARG HDx 1.0 0.0 3.32 417 343 A 18 ARG HBx A 18 ARG HDy 1.0 0.0 3.32 418 344 A 18 ARG HBx A 18 ARG HE 1.0 0.0 4.12 419 345 A 18 ARG HBx A 19 ASP H 1.0 0.0 4.77 420 346 A 18 ARG HBx A 19 ASP HA 1.0 0.0 5.50 421 347 A 18 ARG HBy A 18 ARG HE 1.0 0.0 4.24 422 348 A 18 ARG HBy A 19 ASP H 1.0 0.0 4.65 423 349 A 18 ARG HBy A 19 ASP HA 1.0 0.0 4.62 424 350 A 18 ARG HDy A 18 ARG HGx 1.0 0.0 3.40 425 350 A 18 ARG HDx A 18 ARG HGx 1.0 0.0 3.40 426 350 A 18 ARG HGy A 18 ARG HDx 1.0 0.0 3.40 427 350 A 18 ARG HGy A 18 ARG HDy 1.0 0.0 3.40 428 351 A 18 ARG HE A 18 ARG HGx 1.0 0.0 4.41 429 351 A 18 ARG HGy A 18 ARG HE 1.0 0.0 4.41 430 352 A 19 ASP H A 18 ARG HGx 1.0 0.0 5.50 431 352 A 18 ARG HGy A 19 ASP H 1.0 0.0 5.50 432 353 A 19 ASP H A 19 ASP HA 1.0 0.0 4.13 433 354 A 19 ASP H A 19 ASP HBx 1.0 0.0 4.71 434 355 A 19 ASP H A 19 ASP HBy 1.0 0.0 4.07 435 356 A 19 ASP H A 20 HIS H 1.0 0.0 4.15 436 357 A 19 ASP H A 21 SER H 1.0 0.0 4.97 437 358 A 19 ASP HBx A 19 ASP HA 1.0 0.0 3.33 438 359 A 19 ASP HBy A 19 ASP HA 1.0 0.0 3.44 439 360 A 20 HIS H A 19 ASP HA 1.0 0.0 4.08 440 361 A 19 ASP HBx A 20 HIS H 1.0 0.0 5.23 441 362 A 19 ASP HBx A 20 HIS HD2 1.0 0.0 5.16 442 363 A 19 ASP HBy A 20 HIS H 1.0 0.0 4.71 443 364 A 19 ASP HBy A 20 HIS HD2 1.0 0.0 4.59 444 365 A 20 HIS H A 20 HIS HA 1.0 0.0 4.02 445 366 A 20 HIS HBx A 20 HIS H 1.0 0.0 5.23 446 367 A 20 HIS HBy A 20 HIS H 1.0 0.0 4.65 447 368 A 20 HIS HD2 A 20 HIS H 1.0 0.0 5.50 448 369 A 21 SER H A 20 HIS H 1.0 0.0 3.41 449 370 A 20 HIS HBx A 20 HIS HA 1.0 0.0 4.68 450 371 A 20 HIS HBy A 20 HIS HA 1.0 0.0 3.51 451 372 A 20 HIS HD2 A 20 HIS HA 1.0 0.0 4.90 452 373 A 21 SER H A 20 HIS HA 1.0 0.0 3.89 453 374 A 20 HIS HBx A 20 HIS HBy 1.0 0.0 3.91 454 375 A 20 HIS HD2 A 20 HIS HBx 1.0 0.0 5.50 455 376 A 20 HIS HBx A 21 SER H 1.0 0.0 5.50 456 377 A 20 HIS HD2 A 20 HIS HBy 1.0 0.0 4.67 457 378 A 20 HIS HBy A 21 SER H 1.0 0.0 4.90 458 379 A 21 SER H A 21 SER HA 1.0 0.0 3.79 459 380 A 21 SER HBx A 21 SER H 1.0 0.0 3.25 460 381 A 21 SER HBy A 21 SER H 1.0 0.0 3.69 461 382 A 21 SER HBx A 21 SER HA 1.0 0.0 3.38 462 383 A 21 SER HBy A 21 SER HA 1.0 0.0 3.23 463 384 A 21 SER HA A 22 ARG H 1.0 0.0 4.87 464 385 A 21 SER HA A 23 CYS H 1.0 0.0 5.07 465 386 A 21 SER HBx A 21 SER HBy 1.0 0.0 2.46 466 387 A 21 SER HBx A 22 ARG H 1.0 0.0 5.50 467 388 A 21 SER HBx A 23 CYS H 1.0 0.0 4.55 468 389 A 21 SER HBy A 22 ARG H 1.0 0.0 5.50 469 390 A 21 SER HBy A 23 CYS H 1.0 0.0 4.81 470 391 A 22 ARG H A 22 ARG HA 1.0 0.0 5.50 471 392 A 22 ARG H A 22 ARG HBx 1.0 0.0 5.50 472 393 A 22 ARG H A 22 ARG HBy 1.0 0.0 5.50 473 394 A 22 ARG H A 22 ARG HGx 1.0 0.0 5.50 474 394 A 22 ARG H A 22 ARG HGy 1.0 0.0 5.50 475 395 A 22 ARG HA A 22 ARG HBx 1.0 0.0 3.50 476 396 A 22 ARG HA A 22 ARG HBy 1.0 0.0 3.25 477 397 A 22 ARG HA A 22 ARG HGx 1.0 0.0 3.62 478 397 A 22 ARG HA A 22 ARG HGy 1.0 0.0 3.62 479 398 A 23 CYS H A 22 ARG HA 1.0 0.0 4.43 480 399 A 22 ARG HBx A 22 ARG HE 1.0 0.0 5.50 481 400 A 23 CYS H A 22 ARG HBx 1.0 0.0 4.27 482 401 A 22 ARG HBx A 23 CYS HA 1.0 0.0 5.50 483 402 A 22 ARG HBy A 22 ARG HE 1.0 0.0 5.50 484 403 A 23 CYS H A 22 ARG HBy 1.0 0.0 5.31 485 404 A 22 ARG HBy A 23 CYS HA 1.0 0.0 5.50 486 405 A 22 ARG HE A 22 ARG HGx 1.0 0.0 5.16 487 405 A 22 ARG HGy A 22 ARG HE 1.0 0.0 5.16 488 406 A 23 CYS H A 22 ARG HGx 1.0 0.0 4.28 489 406 A 23 CYS H A 22 ARG HGy 1.0 0.0 4.28 490 407 A 22 ARG HE A 22 ARG HDx 1.0 0.0 4.22 491 407 A 22 ARG HE A 22 ARG HDy 1.0 0.0 4.22 492 408 A 23 CYS H A 23 CYS HA 1.0 0.0 4.32 493 409 A 23 CYS H A 23 CYS HBx 1.0 0.0 4.21 494 410 A 23 CYS H A 23 CYS HBy 1.0 0.0 4.49 495 411 A 23 CYS H A 24 CYS H 1.0 0.0 4.67 496 412 A 23 CYS HA A 23 CYS HBx 1.0 0.0 3.67 497 413 A 23 CYS HA A 23 CYS HBy 1.0 0.0 3.59 498 414 A 23 CYS HA A 24 CYS H 1.0 0.0 4.63 499 415 A 23 CYS HBx A 23 CYS HBy 1.0 0.0 3.28 500 416 A 23 CYS HBx A 24 CYS H 1.0 0.0 5.50 501 417 A 23 CYS HBy A 24 CYS H 1.0 0.0 5.50 502 418 A 24 CYS HA A 24 CYS H 1.0 0.0 4.02 503 419 A 24 CYS HBx A 24 CYS H 1.0 0.0 3.93 504 420 A 24 CYS HBy A 24 CYS H 1.0 0.0 4.23 505 421 A 24 CYS HBx A 24 CYS HA 1.0 0.0 4.35 506 422 A 24 CYS HBy A 24 CYS HA 1.0 0.0 3.88 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 GLU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -83.8 -43.8 PHI 2 2 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 -58.2 -10.6 PSI 3 3 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -111.9 -38.3 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 CYS N 1.0 -86.5 38.9 PSI 5 5 A 6 CYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -111.1 -31.3 PHI 6 6 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ASN N 1.0 -77.6 6.8 PSI 7 7 A 7 LYS C A 8 ASN N A 8 ASN CA A 8 ASN C 1.0 -139.9 -27.5 PHI 8 8 A 8 ASN N A 8 ASN CA A 8 ASN C A 9 GLY N 1.0 -66.9 24.7 PSI 9 9 A 9 GLY C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -83.6 -43.6 PHI 10 10 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 ARG N 1.0 -60.4 -15.6 PSI 11 11 A 10 LYS C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -94.9 -54.9 PHI 12 12 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 GLY N 1.0 -49.9 18.5 PSI 13 13 A 12 GLY C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -156.8 -16.8 PHI 14 14 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 GLY N 1.0 47.5 187.5 PSI 15 15 A 14 GLY C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -80.0 -40.0 PHI 16 16 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 TRP N 1.0 -54.2 -14.2 PSI 17 17 A 15 ARG C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -83.5 -43.5 PHI 18 18 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 CYS N 1.0 -60.9 -20.9 PSI 19 19 A 16 TRP C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -84.1 -44.1 PHI 20 20 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 ARG N 1.0 -59.5 -19.5 PSI 21 21 A 17 CYS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -82.8 -42.8 PHI 22 22 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ASP N 1.0 -69.6 -6.8 PSI 23 23 A 18 ARG C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -95.0 -49.0 PHI 24 24 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 HIS N 1.0 -85.8 27.8 PSI 25 25 A 19 ASP C A 20 HIS N A 20 HIS CA A 20 HIS C 1.0 -113.1 -54.9 PHI 26 26 A 20 HIS N A 20 HIS CA A 20 HIS C A 21 SER N 1.0 -70.2 38.2 PSI 27 27 A 20 HIS C A 21 SER N A 21 SER CA A 21 SER C 1.0 -182.8 -43.0 PHI 28 28 A 21 SER N A 21 SER CA A 21 SER C A 22 ARG N 1.0 94.6 171.4 PSI 29 29 A 22 ARG C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -168.2 -41.8 PHI 30 30 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 CYS N 1.0 135.4 181.4 PSI stop_ save_