data_nef_c36177_5znu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5ZNU 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 1 CYS SG 1 16 CYS SG 1 8 CYS SG 1 15 CYS SG 1 8 CYS SG 1 20 CYS SG 1 15 CYS SG 1 25 CYS SG 1 25 CYS C 1 26 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 CYS start -HG . 2 A 2 LYS middle . . 3 A 3 ARG middle . . 4 A 4 LYS middle . . 5 A 5 GLY middle . false 6 A 6 SER middle . . 7 A 7 SER middle . . 8 A 8 CYS middle -HG . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 THR middle . . 12 A 12 SER middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 THR middle . . 18 A 18 GLY middle . false 19 A 19 SER middle . . 20 A 20 CYS middle -HG . 21 A 21 ARG middle . . 22 A 22 ASN middle . . 23 A 23 GLY middle . false 24 A 24 LYS middle . . 25 A 25 CYS middle -HG,-OXT . 26 A 26 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 LYS H H 1 9.086 0.000 A 2 LYS HA H 1 4.365 0.000 A 2 LYS HBx H 1 1.665 0.000 A 2 LYS HBy H 1 1.665 0.000 A 2 LYS HDx H 1 1.487 0.000 A 2 LYS HDy H 1 1.487 0.000 A 2 LYS HGx H 1 1.115 0.000 A 2 LYS HGy H 1 1.115 0.000 A 3 ARG H H 1 9.086 0.000 A 3 ARG HA H 1 4.404 0.000 A 3 ARG HBy H 1 1.672 0.000 A 3 ARG HBx H 1 1.658 0.000 A 3 ARG HDy H 1 3.082 0.000 A 3 ARG HDx H 1 3.060 0.000 A 3 ARG HGy H 1 1.305 0.000 A 3 ARG HGx H 1 1.178 0.000 A 4 LYS H H 1 8.679 0.000 A 4 LYS HA H 1 3.941 0.000 A 4 LYS HBy H 1 1.748 0.000 A 4 LYS HBx H 1 1.658 0.000 A 4 LYS HDx H 1 1.520 0.000 A 4 LYS HDy H 1 1.520 0.000 A 4 LYS HEx H 1 3.016 0.000 A 4 LYS HEy H 1 3.016 0.000 A 4 LYS HGy H 1 1.324 0.000 A 4 LYS HGx H 1 1.178 0.000 A 5 GLY H H 1 8.465 0.000 A 5 GLY HAx H 1 3.560 0.000 A 5 GLY HAy H 1 3.560 0.000 A 6 SER H H 1 7.745 0.000 A 6 SER HA H 1 4.307 0.000 A 6 SER HBy H 1 3.710 0.000 A 6 SER HBx H 1 3.641 0.000 A 7 SER H H 1 8.547 0.000 A 7 SER HA H 1 4.727 0.000 A 7 SER HBy H 1 3.725 0.000 A 7 SER HBx H 1 3.686 0.000 A 8 CYS H H 1 8.014 0.000 A 8 CYS HA H 1 4.726 0.000 A 8 CYS HBy H 1 2.930 0.000 A 8 CYS HBx H 1 2.758 0.000 A 9 ARG H H 1 8.359 0.000 A 9 ARG HA H 1 4.315 0.000 A 9 ARG HBx H 1 1.650 0.000 A 9 ARG HBy H 1 1.650 0.000 A 9 ARG HDx H 1 2.945 0.000 A 9 ARG HDy H 1 2.945 0.000 A 9 ARG HE H 1 7.003 0.000 A 9 ARG HGy H 1 1.499 0.000 A 9 ARG HGx H 1 1.393 0.000 A 10 ARG H H 1 8.745 0.000 A 10 ARG HA H 1 3.772 0.000 A 10 ARG HBx H 1 1.669 0.000 A 10 ARG HBy H 1 1.669 0.000 A 10 ARG HDy H 1 3.067 0.000 A 10 ARG HDx H 1 3.011 0.000 A 10 ARG HE H 1 7.078 0.000 A 10 ARG HGy H 1 1.489 0.000 A 10 ARG HGx H 1 1.402 0.000 A 11 THR H H 1 7.554 0.000 A 11 THR HA H 1 4.247 0.000 A 11 THR HB H 1 3.861 0.000 A 11 THR HG2% H 1 0.996 0.000 A 12 SER H H 1 7.519 0.000 A 12 SER HA H 1 4.206 0.000 A 12 SER HBy H 1 3.608 0.000 A 12 SER HBx H 1 3.564 0.000 A 13 TYR H H 1 7.924 0.000 A 13 TYR HA H 1 4.390 0.000 A 13 TYR HBy H 1 3.038 0.000 A 13 TYR HBx H 1 2.721 0.000 A 13 TYR HDy H 1 6.906 0.000 A 13 TYR HDx H 1 6.891 0.000 A 14 ASP H H 1 7.918 0.000 A 14 ASP HA H 1 4.208 0.000 A 14 ASP HBy H 1 3.600 0.000 A 14 ASP HBx H 1 3.563 0.000 A 15 CYS H H 1 7.932 0.000 A 15 CYS HA H 1 4.597 0.000 A 15 CYS HBy H 1 2.724 0.000 A 15 CYS HBx H 1 2.402 0.000 A 16 CYS H H 1 8.346 0.000 A 16 CYS HA H 1 4.659 0.000 A 16 CYS HBy H 1 2.967 0.000 A 16 CYS HBx H 1 2.454 0.000 A 17 THR H H 1 8.062 0.000 A 17 THR HA H 1 4.265 0.000 A 17 THR HB H 1 3.924 0.000 A 17 THR HG2% H 1 0.931 0.000 A 18 GLY H H 1 8.203 0.000 A 18 GLY HAy H 1 3.900 0.000 A 18 GLY HAx H 1 3.626 0.000 A 19 SER H H 1 8.053 0.000 A 19 SER HA H 1 4.484 0.000 A 19 SER HBy H 1 3.588 0.000 A 19 SER HBx H 1 3.507 0.000 A 20 CYS H H 1 8.530 0.000 A 20 CYS HA H 1 4.493 0.000 A 20 CYS HBx H 1 2.652 0.000 A 20 CYS HBy H 1 2.652 0.000 A 21 ARG H H 1 8.404 0.000 A 21 ARG HA H 1 4.422 0.000 A 21 ARG HBx H 1 1.566 0.000 A 21 ARG HBy H 1 1.566 0.000 A 21 ARG HDx H 1 2.984 0.000 A 21 ARG HDy H 1 2.984 0.000 A 21 ARG HE H 1 6.993 0.000 A 21 ARG HGy H 1 1.401 0.000 A 21 ARG HGx H 1 1.301 0.000 A 22 ASN H H 1 9.288 0.000 A 22 ASN HA H 1 4.171 0.000 A 22 ASN HBy H 1 2.825 0.000 A 22 ASN HBx H 1 2.600 0.000 A 23 GLY H H 1 8.197 0.000 A 23 GLY HAy H 1 3.928 0.000 A 23 GLY HAx H 1 3.600 0.000 A 24 LYS H H 1 7.533 0.000 A 24 LYS HA H 1 5.067 0.000 A 24 LYS HBy H 1 1.445 0.000 A 24 LYS HBx H 1 1.280 0.000 A 24 LYS HDx H 1 1.288 0.000 A 24 LYS HDy H 1 1.288 0.000 A 24 LYS HGy H 1 1.168 0.000 A 24 LYS HGx H 1 1.058 0.000 A 24 LYS HZ1 H 1 6.787 0.000 A 24 LYS HZ2 H 1 6.787 0.000 A 24 LYS HZ3 H 1 6.787 0.000 A 25 CYS H H 1 8.592 0.000 A 25 CYS HA H 1 4.641 0.000 A 25 CYS HBy H 1 3.060 0.000 A 25 CYS HBx H 1 2.587 0.000 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 2 LYS H A 3 ARG H 1.0 1.8 5.0 2 2 A 2 LYS H A 16 CYS H 1.0 1.8 5.0 3 3 A 3 ARG H A 6 SER H 1.0 1.8 5.0 4 4 A 3 ARG H A 4 LYS H 1.0 1.8 5.0 5 5 A 3 ARG H A 6 SER H 1.0 1.8 5.0 6 6 A 4 LYS H A 5 GLY H 1.0 1.8 5.0 7 7 A 6 SER H A 5 GLY H 1.0 1.8 5.0 8 8 A 6 SER H A 7 SER H 1.0 1.8 5.0 9 9 A 7 SER H A 8 CYS H 1.0 1.8 5.0 10 10 A 8 CYS H A 9 ARG H 1.0 1.8 5.0 11 11 A 9 ARG H A 10 ARG H 1.0 1.8 5.0 12 12 A 10 ARG H A 11 THR H 1.0 1.8 3.5 13 13 A 11 THR H A 12 SER H 1.0 1.8 3.5 14 14 A 12 SER H A 13 TYR H 1.0 1.8 3.5 15 15 A 13 TYR H A 14 ASP H 1.0 1.8 3.5 16 16 A 14 ASP H A 15 CYS H 1.0 1.8 3.5 17 17 A 16 CYS H A 15 CYS H 1.0 1.8 5.0 18 18 A 16 CYS H A 17 THR H 1.0 1.8 3.5 19 19 A 17 THR H A 18 GLY H 1.0 1.8 5.0 20 20 A 18 GLY H A 19 SER H 1.0 1.8 5.0 21 21 A 19 SER H A 20 CYS H 1.0 1.8 5.0 22 22 A 20 CYS H A 21 ARG H 1.0 1.8 5.0 23 23 A 21 ARG H A 24 LYS H 1.0 1.8 5.0 24 24 A 22 ASN H A 23 GLY H 1.0 1.8 5.0 25 25 A 24 LYS H A 23 GLY H 1.0 1.8 5.0 26 26 A 24 LYS H A 24 LYS HZ% 1.0 1.8 5.0 27 27 A 24 LYS HZ% A 22 ASN HBx 1.0 1.8 5.0 28 28 A 6 SER H A 25 CYS H 1.0 1.8 5.0 29 29 A 8 CYS H A 25 CYS H 1.0 1.8 5.0 30 30 A 24 LYS H A 25 CYS H 1.0 1.8 5.0 31 31 A 2 LYS H A 1 CYS HA 1.0 1.8 3.5 32 32 A 2 LYS H A 1 CYS HBx 1.0 1.8 3.5 33 32 A 2 LYS H A 1 CYS HBy 1.0 1.8 3.5 34 33 A 3 ARG H A 2 LYS HA 1.0 1.8 2.7 35 34 A 2 LYS H A 2 LYS HA 1.0 1.8 3.5 36 35 A 2 LYS H A 2 LYS HBx 1.0 1.8 3.5 37 35 A 2 LYS H A 2 LYS HBy 1.0 1.8 3.5 38 36 A 2 LYS H A 2 LYS HGx 1.0 1.8 5.0 39 36 A 2 LYS H A 2 LYS HGy 1.0 1.8 5.0 40 37 A 2 LYS H A 2 LYS HDx 1.0 1.8 5.0 41 37 A 2 LYS H A 2 LYS HDy 1.0 1.8 5.0 42 38 A 2 LYS H A 16 CYS HA 1.0 1.8 5.0 43 39 A 3 ARG H A 3 ARG HA 1.0 1.8 3.5 44 40 A 3 ARG H A 3 ARG HBy 1.0 1.8 3.5 45 40 A 3 ARG H A 3 ARG HBx 1.0 1.8 3.5 46 41 A 3 ARG H A 3 ARG HGy 1.0 1.8 5.0 47 41 A 3 ARG H A 3 ARG HGx 1.0 1.8 5.0 48 42 A 3 ARG H A 3 ARG HDy 1.0 1.8 5.0 49 43 A 3 ARG H A 3 ARG HDx 1.0 1.8 5.0 50 44 A 6 SER H A 5 GLY HAx 1.0 1.8 3.5 51 44 A 6 SER H A 5 GLY HAy 1.0 1.8 3.5 52 45 A 5 GLY H A 4 LYS HA 1.0 1.8 2.7 53 46 A 5 GLY H A 4 LYS HBx 1.0 1.8 5.0 54 46 A 5 GLY H A 4 LYS HBy 1.0 1.8 5.0 55 47 A 5 GLY H A 25 CYS HBy 1.0 1.8 5.0 56 48 A 5 GLY H A 25 CYS HBx 1.0 1.8 5.0 57 49 A 5 GLY H A 4 LYS HGy 1.0 1.8 5.0 58 49 A 5 GLY H A 4 LYS HGx 1.0 1.8 5.0 59 50 A 5 GLY H A 4 LYS HDx 1.0 1.8 5.0 60 50 A 5 GLY H A 4 LYS HDy 1.0 1.8 5.0 61 51 A 6 SER H A 6 SER HA 1.0 1.8 3.5 62 52 A 6 SER H A 6 SER HBy 1.0 1.8 3.5 63 53 A 6 SER H A 6 SER HBx 1.0 1.8 3.5 64 54 A 6 SER H A 25 CYS HBy 1.0 1.8 5.0 65 55 A 6 SER H A 25 CYS HBx 1.0 1.8 5.0 66 56 A 7 SER H A 6 SER HA 1.0 1.8 2.7 67 57 A 7 SER H A 7 SER HA 1.0 1.8 3.5 68 58 A 7 SER H A 7 SER HBy 1.0 1.8 5.0 69 59 A 7 SER H A 7 SER HBx 1.0 1.8 5.0 70 60 A 8 CYS H A 7 SER HA 1.0 1.8 2.7 71 61 A 8 CYS H A 7 SER HBy 1.0 1.8 5.0 72 62 A 8 CYS H A 7 SER HBx 1.0 1.8 5.0 73 63 A 8 CYS H A 24 LYS HA 1.0 1.8 3.5 74 64 A 8 CYS H A 24 LYS HBy 1.0 1.8 5.0 75 65 A 8 CYS H A 24 LYS HBx 1.0 1.8 5.0 76 66 A 8 CYS H A 24 LYS HGy 1.0 1.8 5.0 77 67 A 8 CYS H A 24 LYS HGx 1.0 1.8 6.0 78 68 A 8 CYS H A 8 CYS HBy 1.0 1.8 5.0 79 69 A 8 CYS H A 8 CYS HBx 1.0 1.8 5.0 80 70 A 9 ARG H A 8 CYS HBy 1.0 1.8 5.0 81 71 A 9 ARG H A 8 CYS HBx 1.0 1.8 5.0 82 72 A 9 ARG H A 9 ARG HA 1.0 1.8 3.5 83 73 A 9 ARG H A 9 ARG HBx 1.0 1.8 5.0 84 73 A 9 ARG H A 9 ARG HBy 1.0 1.8 5.0 85 74 A 9 ARG H A 9 ARG HGx 1.0 1.8 5.0 86 75 A 10 ARG H A 9 ARG HA 1.0 1.8 2.7 87 76 A 10 ARG H A 9 ARG HDx 1.0 1.8 5.0 88 76 A 10 ARG H A 9 ARG HDy 1.0 1.8 5.0 89 77 A 10 ARG H A 10 ARG HA 1.0 1.8 3.5 90 78 A 10 ARG H A 10 ARG HBx 1.0 1.8 5.0 91 78 A 10 ARG H A 10 ARG HBy 1.0 1.8 5.0 92 79 A 10 ARG H A 10 ARG HGy 1.0 1.8 5.0 93 80 A 10 ARG H A 10 ARG HGx 1.0 1.8 5.0 94 81 A 11 THR H A 10 ARG HA 1.0 1.8 5.0 95 82 A 11 THR H A 10 ARG HBx 1.0 1.8 3.5 96 82 A 11 THR H A 10 ARG HBy 1.0 1.8 3.5 97 83 A 11 THR H A 10 ARG HGx 1.0 1.8 5.0 98 84 A 11 THR H A 10 ARG HGy 1.0 1.8 5.0 99 85 A 11 THR H A 11 THR HA 1.0 1.8 3.5 100 86 A 11 THR H A 11 THR HB 1.0 1.8 5.0 101 87 A 11 THR H A 11 THR HG2% 1.0 1.8 5.0 102 88 A 12 SER H A 11 THR HA 1.0 1.8 5.0 103 89 A 12 SER H A 11 THR HB 1.0 1.8 5.0 104 90 A 12 SER H A 11 THR HG2% 1.0 1.8 5.0 105 91 A 12 SER H A 12 SER HA 1.0 1.8 3.5 106 92 A 12 SER H A 12 SER HBy 1.0 1.8 3.5 107 92 A 12 SER H A 12 SER HBx 1.0 1.8 3.5 108 93 A 13 TYR H A 12 SER HA 1.0 1.8 5.0 109 94 A 13 TYR H A 12 SER HBy 1.0 1.8 5.0 110 94 A 13 TYR H A 12 SER HBx 1.0 1.8 5.0 111 95 A 13 TYR H A 13 TYR HA 1.0 1.8 3.5 112 96 A 13 TYR H A 13 TYR HBy 1.0 1.8 5.0 113 97 A 13 TYR H A 13 TYR HBx 1.0 1.8 5.0 114 98 A 13 TYR H A 13 TYR HD% 1.0 1.8 3.5 115 99 A 14 ASP H A 13 TYR HA 1.0 1.8 5.0 116 100 A 15 CYS H A 14 ASP HA 1.0 1.8 5.0 117 101 A 15 CYS H A 14 ASP HBy 1.0 1.8 5.0 118 102 A 15 CYS H A 14 ASP HBx 1.0 1.8 5.0 119 103 A 14 ASP H A 14 ASP HA 1.0 1.8 3.5 120 104 A 14 ASP H A 14 ASP HBy 1.0 1.8 5.0 121 105 A 14 ASP H A 14 ASP HBx 1.0 1.8 5.0 122 106 A 15 CYS H A 15 CYS HA 1.0 1.8 3.5 123 107 A 15 CYS H A 15 CYS HBy 1.0 1.8 5.0 124 108 A 15 CYS H A 15 CYS HBx 1.0 1.8 5.0 125 109 A 16 CYS H A 2 LYS HBx 1.0 1.8 5.0 126 109 A 16 CYS H A 2 LYS HBy 1.0 1.8 5.0 127 110 A 16 CYS H A 3 ARG HA 1.0 1.8 5.0 128 111 A 16 CYS H A 15 CYS HA 1.0 1.8 2.7 129 112 A 16 CYS H A 16 CYS HA 1.0 1.8 3.5 130 113 A 16 CYS H A 15 CYS HBy 1.0 1.8 5.0 131 114 A 16 CYS H A 15 CYS HBx 1.0 1.8 5.0 132 115 A 16 CYS H A 16 CYS HBy 1.0 1.8 5.0 133 116 A 16 CYS H A 16 CYS HBx 1.0 1.8 5.0 134 117 A 17 THR H A 16 CYS HBy 1.0 1.8 5.0 135 118 A 17 THR H A 16 CYS HBx 1.0 1.8 5.0 136 119 A 17 THR H A 17 THR HA 1.0 1.8 3.5 137 120 A 17 THR H A 17 THR HB 1.0 1.8 5.0 138 121 A 17 THR H A 17 THR HG2% 1.0 1.8 3.5 139 122 A 18 GLY H A 17 THR HA 1.0 1.8 2.7 140 123 A 18 GLY H A 17 THR HB 1.0 1.8 5.0 141 124 A 18 GLY H A 17 THR HG2% 1.0 1.8 5.0 142 125 A 18 GLY H A 18 GLY HAy 1.0 1.8 3.5 143 126 A 18 GLY H A 18 GLY HAx 1.0 1.8 3.5 144 127 A 19 SER H A 18 GLY HAy 1.0 1.8 2.7 145 128 A 19 SER H A 18 GLY HAx 1.0 1.8 5.0 146 129 A 19 SER H A 19 SER HA 1.0 1.8 3.5 147 130 A 19 SER H A 19 SER HBy 1.0 1.8 3.5 148 131 A 19 SER H A 19 SER HBx 1.0 1.8 5.0 149 132 A 20 CYS H A 19 SER HA 1.0 1.8 2.7 150 133 A 20 CYS H A 19 SER HBy 1.0 1.8 5.0 151 134 A 20 CYS H A 19 SER HBx 1.0 1.8 5.0 152 135 A 20 CYS H A 20 CYS HA 1.0 1.8 3.5 153 136 A 20 CYS H A 20 CYS HBy 1.0 1.8 2.7 154 136 A 20 CYS H A 20 CYS HBx 1.0 1.8 2.7 155 137 A 21 ARG H A 20 CYS HA 1.0 1.8 2.7 156 138 A 21 ARG H A 20 CYS HBy 1.0 1.8 5.0 157 138 A 21 ARG H A 20 CYS HBx 1.0 1.8 5.0 158 139 A 21 ARG H A 25 CYS HA 1.0 1.8 5.0 159 140 A 22 ASN H A 21 ARG HA 1.0 1.8 2.7 160 141 A 22 ASN H A 22 ASN HA 1.0 1.8 3.5 161 142 A 22 ASN H A 21 ARG HBy 1.0 1.8 5.0 162 142 A 22 ASN H A 21 ARG HBx 1.0 1.8 5.0 163 143 A 22 ASN H A 22 ASN HBy 1.0 1.8 5.0 164 144 A 22 ASN H A 22 ASN HBx 1.0 1.8 5.0 165 145 A 23 GLY H A 22 ASN HA 1.0 1.8 2.7 166 146 A 23 GLY H A 23 GLY HAy 1.0 1.8 3.5 167 147 A 23 GLY H A 23 GLY HAx 1.0 1.8 3.5 168 148 A 24 LYS H A 23 GLY HAy 1.0 1.8 5.0 169 149 A 24 LYS H A 23 GLY HAx 1.0 1.8 5.0 170 150 A 21 ARG H A 24 LYS H 1.0 1.8 5.0 171 151 A 25 CYS H A 24 LYS HA 1.0 1.8 2.7 172 152 A 25 CYS H A 24 LYS HBy 1.0 1.8 5.0 173 153 A 25 CYS H A 24 LYS HBx 1.0 1.8 5.0 174 154 A 25 CYS H A 24 LYS HGy 1.0 1.8 5.0 175 155 A 25 CYS H A 24 LYS HDx 1.0 1.8 5.0 176 156 A 25 CYS H A 5 GLY HAx 1.0 1.8 5.0 177 156 A 25 CYS H A 5 GLY HAy 1.0 1.8 5.0 178 157 A 25 CYS H A 7 SER HA 1.0 1.8 5.0 179 158 A 2 LYS HA A 2 LYS HBx 1.0 1.8 3.5 180 158 A 2 LYS HA A 2 LYS HBy 1.0 1.8 3.5 181 159 A 2 LYS HA A 2 LYS HDx 1.0 1.8 5.0 182 159 A 2 LYS HA A 2 LYS HDy 1.0 1.8 5.0 183 160 A 3 ARG HA A 3 ARG HBy 1.0 1.8 3.5 184 160 A 3 ARG HA A 3 ARG HBx 1.0 1.8 3.5 185 161 A 3 ARG HA A 3 ARG HGy 1.0 1.8 5.0 186 161 A 3 ARG HA A 3 ARG HGx 1.0 1.8 5.0 187 162 A 6 SER HBy A 3 ARG HBy 1.0 1.8 5.0 188 162 A 3 ARG HBx A 6 SER HBy 1.0 1.8 5.0 189 163 A 6 SER HBx A 3 ARG HBy 1.0 1.8 5.0 190 163 A 3 ARG HBx A 6 SER HBx 1.0 1.8 5.0 191 164 A 4 LYS HA A 4 LYS HBy 1.0 1.8 5.0 192 165 A 4 LYS HA A 4 LYS HBx 1.0 1.8 5.0 193 166 A 4 LYS HBy A 4 LYS HBx 1.0 1.8 5.0 194 167 A 4 LYS HBy A 4 LYS HGx 1.0 1.8 5.0 195 167 A 4 LYS HBy A 4 LYS HGy 1.0 1.8 5.0 196 168 A 4 LYS HDy A 4 LYS HBx 1.0 1.8 5.0 197 168 A 4 LYS HBx A 4 LYS HDx 1.0 1.8 5.0 198 169 A 4 LYS HBy A 4 LYS HDy 1.0 1.8 5.0 199 169 A 4 LYS HBy A 4 LYS HDx 1.0 1.8 5.0 200 170 A 4 LYS HGx A 4 LYS HBx 1.0 1.8 5.0 201 170 A 4 LYS HBx A 4 LYS HGy 1.0 1.8 5.0 202 171 A 4 LYS HA A 4 LYS HDx 1.0 1.8 5.0 203 171 A 4 LYS HA A 4 LYS HDy 1.0 1.8 5.0 204 172 A 4 LYS HA A 4 LYS HGy 1.0 1.8 5.0 205 172 A 4 LYS HA A 4 LYS HGx 1.0 1.8 5.0 206 173 A 5 GLY HAy A 24 LYS HDy 1.0 1.8 5.0 207 173 A 5 GLY HAx A 24 LYS HDy 1.0 1.8 5.0 208 173 A 24 LYS HDx A 5 GLY HAx 1.0 1.8 5.0 209 173 A 5 GLY HAy A 24 LYS HDx 1.0 1.8 5.0 210 174 A 25 CYS HBx A 5 GLY HAx 1.0 1.8 5.0 211 174 A 5 GLY HAy A 25 CYS HBx 1.0 1.8 5.0 212 175 A 6 SER HA A 6 SER HBy 1.0 1.8 3.5 213 176 A 6 SER HA A 6 SER HBx 1.0 1.8 3.5 214 177 A 6 SER HBy A 6 SER HBx 1.0 1.8 3.5 215 178 A 7 SER HA A 7 SER HBy 1.0 1.8 3.5 216 179 A 7 SER HA A 7 SER HBx 1.0 1.8 3.5 217 180 A 7 SER HBy A 7 SER HBx 1.0 1.8 3.5 218 181 A 8 CYS HA A 8 CYS HBx 1.0 1.8 3.5 219 181 A 8 CYS HA A 8 CYS HBy 1.0 1.8 3.5 220 182 A 9 ARG HA A 9 ARG HBx 1.0 1.8 3.5 221 182 A 9 ARG HA A 9 ARG HBy 1.0 1.8 3.5 222 183 A 9 ARG HA A 9 ARG HGy 1.0 1.8 5.0 223 184 A 9 ARG HA A 9 ARG HGx 1.0 1.8 5.0 224 185 A 9 ARG HGy A 9 ARG HBx 1.0 1.8 3.5 225 185 A 9 ARG HBy A 9 ARG HGy 1.0 1.8 3.5 226 186 A 9 ARG HGx A 9 ARG HBx 1.0 1.8 3.5 227 186 A 9 ARG HBy A 9 ARG HGx 1.0 1.8 3.5 228 187 A 9 ARG HGy A 9 ARG HDx 1.0 1.8 3.5 229 187 A 9 ARG HDy A 9 ARG HGy 1.0 1.8 3.5 230 188 A 9 ARG HGx A 9 ARG HDx 1.0 1.8 3.5 231 188 A 9 ARG HGx A 9 ARG HDy 1.0 1.8 3.5 232 189 A 9 ARG HA A 9 ARG HDx 1.0 1.8 5.0 233 189 A 9 ARG HA A 9 ARG HDy 1.0 1.8 5.0 234 190 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 5.0 235 190 A 9 ARG HDy A 9 ARG HBx 1.0 1.8 5.0 236 190 A 9 ARG HBy A 9 ARG HDy 1.0 1.8 5.0 237 190 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 5.0 238 191 A 10 ARG HA A 10 ARG HBx 1.0 1.8 3.5 239 191 A 10 ARG HA A 10 ARG HBy 1.0 1.8 3.5 240 192 A 10 ARG HGy A 10 ARG HBx 1.0 1.8 3.5 241 192 A 10 ARG HBy A 10 ARG HGy 1.0 1.8 3.5 242 193 A 10 ARG HGx A 10 ARG HBx 1.0 1.8 3.5 243 193 A 10 ARG HBy A 10 ARG HGx 1.0 1.8 3.5 244 194 A 10 ARG HDy A 10 ARG HBx 1.0 1.8 5.0 245 194 A 10 ARG HBy A 10 ARG HDy 1.0 1.8 5.0 246 195 A 10 ARG HDx A 10 ARG HBx 1.0 1.8 5.0 247 195 A 10 ARG HBy A 10 ARG HDx 1.0 1.8 5.0 248 196 A 10 ARG HA A 10 ARG HGy 1.0 1.8 5.0 249 197 A 10 ARG HA A 10 ARG HGx 1.0 1.8 5.0 250 198 A 10 ARG HA A 10 ARG HDy 1.0 1.8 5.0 251 199 A 10 ARG HA A 10 ARG HDx 1.0 1.8 5.0 252 200 A 10 ARG HGy A 10 ARG HDy 1.0 1.8 3.5 253 201 A 10 ARG HGx A 10 ARG HDy 1.0 1.8 3.5 254 202 A 10 ARG HGy A 10 ARG HDx 1.0 1.8 5.0 255 203 A 10 ARG HGx A 10 ARG HDx 1.0 1.8 5.0 256 204 A 10 ARG HA A 20 CYS HBy 1.0 1.8 3.5 257 204 A 10 ARG HA A 20 CYS HBx 1.0 1.8 3.5 258 205 A 11 THR HA A 20 CYS HBy 1.0 1.8 3.5 259 205 A 11 THR HA A 20 CYS HBx 1.0 1.8 3.5 260 206 A 11 THR HA A 11 THR HB 1.0 1.8 3.5 261 207 A 11 THR HA A 11 THR HG2% 1.0 1.8 5.0 262 208 A 11 THR HB A 11 THR HG2% 1.0 1.8 3.5 263 209 A 12 SER HA A 12 SER HBy 1.0 1.8 3.5 264 209 A 12 SER HA A 12 SER HBx 1.0 1.8 3.5 265 210 A 13 TYR HA A 13 TYR HBy 1.0 1.8 5.0 266 211 A 13 TYR HA A 13 TYR HBx 1.0 1.8 5.0 267 212 A 13 TYR HBy A 13 TYR HBx 1.0 1.8 5.0 268 213 A 13 TYR HBy A 13 TYR HD% 1.0 1.8 3.5 269 214 A 13 TYR HBx A 13 TYR HD% 1.0 1.8 3.5 270 215 A 14 ASP HA A 14 ASP HBy 1.0 1.8 5.0 271 216 A 14 ASP HA A 14 ASP HBx 1.0 1.8 5.0 272 217 A 14 ASP HBy A 14 ASP HBx 1.0 1.8 5.0 273 218 A 15 CYS HA A 15 CYS HBy 1.0 1.8 5.0 274 219 A 15 CYS HA A 15 CYS HBx 1.0 1.8 5.0 275 220 A 15 CYS HBy A 15 CYS HBx 1.0 1.8 5.0 276 221 A 16 CYS HA A 16 CYS HBy 1.0 1.8 5.0 277 222 A 16 CYS HA A 16 CYS HBx 1.0 1.8 5.0 278 223 A 16 CYS HBy A 16 CYS HBx 1.0 1.8 5.0 279 224 A 17 THR HA A 17 THR HB 1.0 1.8 5.0 280 225 A 17 THR HB A 17 THR HG2% 1.0 1.8 5.0 281 226 A 17 THR HA A 17 THR HG2% 1.0 1.8 5.0 282 227 A 19 SER HA A 19 SER HBy 1.0 1.8 5.0 283 228 A 19 SER HA A 19 SER HBx 1.0 1.8 5.0 284 229 A 19 SER HBy A 19 SER HBx 1.0 1.8 5.0 285 230 A 20 CYS HA A 20 CYS HBx 1.0 1.8 5.0 286 231 A 20 CYS HA A 20 CYS HBy 1.0 1.8 5.0 287 232 A 20 CYS HBx A 20 CYS HBy 1.0 1.8 5.0 288 233 A 21 ARG HBx A 21 ARG HA 1.0 1.8 5.0 289 234 A 21 ARG HA A 21 ARG HBy 1.0 1.8 5.0 290 235 A 21 ARG HBx A 21 ARG HBy 1.0 1.8 5.0 291 236 A 21 ARG HBx A 21 ARG HGy 1.0 1.8 5.0 292 237 A 21 ARG HBx A 21 ARG HGx 1.0 1.8 5.0 293 238 A 21 ARG HGy A 21 ARG HBy 1.0 1.8 5.0 294 239 A 21 ARG HGx A 21 ARG HBy 1.0 1.8 5.0 295 240 A 21 ARG HGy A 21 ARG HGx 1.0 1.8 5.0 296 241 A 21 ARG HGy A 21 ARG HDx 1.0 1.8 5.0 297 242 A 21 ARG HGx A 21 ARG HDx 1.0 1.8 5.0 298 243 A 21 ARG HGx A 21 ARG HDy 1.0 1.8 5.0 299 244 A 21 ARG HGy A 21 ARG HDy 1.0 1.8 5.0 300 245 A 21 ARG HA A 21 ARG HGy 1.0 1.8 5.0 301 246 A 21 ARG HA A 21 ARG HGx 1.0 1.8 5.0 302 247 A 21 ARG HDx A 21 ARG HBy 1.0 1.8 5.0 303 247 A 21 ARG HBx A 21 ARG HDx 1.0 1.8 5.0 304 248 A 21 ARG HDy A 21 ARG HBy 1.0 1.8 5.0 305 248 A 21 ARG HBx A 21 ARG HDy 1.0 1.8 5.0 306 249 A 22 ASN HA A 22 ASN HBy 1.0 1.8 5.0 307 250 A 22 ASN HBx A 22 ASN HA 1.0 1.8 5.0 308 251 A 23 GLY HAy A 23 GLY HAx 1.0 1.8 5.0 309 252 A 24 LYS HA A 24 LYS HBy 1.0 1.8 5.0 310 253 A 24 LYS HA A 24 LYS HBx 1.0 1.8 5.0 311 254 A 24 LYS HBy A 24 LYS HBx 1.0 1.8 5.0 312 255 A 24 LYS HBy A 24 LYS HGy 1.0 1.8 5.0 313 256 A 24 LYS HBy A 24 LYS HGx 1.0 1.8 5.0 314 257 A 24 LYS HBx A 24 LYS HGy 1.0 1.8 5.0 315 258 A 24 LYS HBy A 24 LYS HDx 1.0 1.8 5.0 316 259 A 24 LYS HBx A 24 LYS HGx 1.0 1.8 5.0 317 260 A 24 LYS HA A 24 LYS HGy 1.0 1.8 5.0 318 261 A 24 LYS HA A 24 LYS HGx 1.0 1.8 5.0 319 262 A 24 LYS HA A 24 LYS HDx 1.0 1.8 5.0 320 263 A 24 LYS HA A 24 LYS HDy 1.0 1.8 5.0 321 264 A 25 CYS HBy A 25 CYS HA 1.0 1.8 5.0 322 265 A 25 CYS HBx A 25 CYS HA 1.0 1.8 5.0 323 266 A 25 CYS HBy A 25 CYS HBx 1.0 1.8 5.0 stop_ save_