data_nef_c15532_2jp9 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 BMRB 15533 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 3 9 CYS SG 4 1 ZN ZN 3 14 CYS SG 4 1 ZN ZN 3 27 HIS NE2 4 1 ZN ZN 3 31 HIS NE2 4 1 ZN ZN 3 39 CYS SG 4 2 ZN ZN 3 44 CYS SG 4 2 ZN ZN 3 57 HIS NE2 4 2 ZN ZN 3 61 HIS NE2 4 2 ZN ZN 3 69 CYS SG 4 3 ZN ZN 3 72 CYS SG 4 3 ZN ZN 3 85 HIS NE2 4 3 ZN ZN 3 89 HIS NE2 4 3 ZN ZN 3 97 CYS SG 4 4 ZN ZN 3 102 CYS SG 4 4 ZN ZN 3 115 HIS NE2 4 4 ZN ZN 3 119 HIS NE2 4 4 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 B 124 DC . . . 2 B 125 DG . . . 3 B 126 DC . . . 4 B 127 DG . . . 5 B 128 DG . . . 6 B 129 DG . . . 7 B 130 DG . . . 8 B 131 DG . . . 9 B 132 DC . . . 10 B 133 DG . . . 11 B 134 DT . . . 12 B 135 DC . . . 13 B 136 DT . . . 14 B 137 DG . . . 15 B 138 DC . . . 16 B 139 DG . . . 17 B 140 DC . . . 18 C 141 DG . . . 19 C 142 DC . . . 20 C 143 DG . . . 21 C 144 DC . . . 22 C 145 DA . . . 23 C 146 DG . . . 24 C 147 DA . . . 25 C 148 DC . . . 26 C 149 DG . . . 27 C 150 DC . . . 28 C 151 DC . . . 29 C 152 DC . . . 30 C 153 DC . . . 31 C 154 DC . . . 32 C 155 DG . . . 33 C 156 DC . . . 34 C 157 DG . . . 35 A 1 ALA start . . 36 A 2 SER middle . . 37 A 3 GLU middle . . 38 A 4 LYS middle . . 39 A 5 ARG middle . . 40 A 6 PRO middle . false 41 A 7 PHE middle . . 42 A 8 MET middle . . 43 A 9 CYS middle -HG . 44 A 10 ALA middle . . 45 A 11 TYR middle . . 46 A 12 PRO middle . false 47 A 13 GLY middle . false 48 A 14 CYS middle -HG . 49 A 15 ASN middle . . 50 A 16 LYS middle . . 51 A 17 ARG middle . . 52 A 18 TYR middle . . 53 A 19 PHE middle . . 54 A 20 LYS middle . . 55 A 21 LEU middle . . 56 A 22 SER middle . . 57 A 23 HIS middle . . 58 A 24 LEU middle . . 59 A 25 GLN middle . . 60 A 26 MET middle . . 61 A 27 HIS middle -HE2 . 62 A 28 SER middle . . 63 A 29 ARG middle . . 64 A 30 LYS middle . . 65 A 31 HIS middle -HE2 . 66 A 32 THR middle . . 67 A 33 GLY middle . false 68 A 34 GLU middle . . 69 A 35 LYS middle . . 70 A 36 PRO middle . false 71 A 37 TYR middle . . 72 A 38 GLN middle . . 73 A 39 CYS middle -HG . 74 A 40 ASP middle . . 75 A 41 PHE middle . . 76 A 42 LYS middle . . 77 A 43 ASP middle . . 78 A 44 CYS middle -HG . 79 A 45 GLU middle . . 80 A 46 ARG middle . . 81 A 47 ARG middle . . 82 A 48 PHE middle . . 83 A 49 SER middle . . 84 A 50 ARG middle . . 85 A 51 SER middle . . 86 A 52 ASP middle . . 87 A 53 GLN middle . . 88 A 54 LEU middle . . 89 A 55 LYS middle . . 90 A 56 ARG middle . . 91 A 57 HIS middle -HE2 . 92 A 58 GLN middle . . 93 A 59 ARG middle . . 94 A 60 ARG middle . . 95 A 61 HIS middle -HE2 . 96 A 62 THR middle . . 97 A 63 GLY middle . false 98 A 64 VAL middle . . 99 A 65 LYS middle . . 100 A 66 PRO middle . false 101 A 67 PHE middle . . 102 A 68 GLN middle . . 103 A 69 CYS middle -HG . 104 A 70 LYS middle . . 105 A 71 THR middle . . 106 A 72 CYS middle -HG . 107 A 73 GLN middle . . 108 A 74 ARG middle . . 109 A 75 LYS middle . . 110 A 76 PHE middle . . 111 A 77 SER middle . . 112 A 78 ARG middle . . 113 A 79 SER middle . . 114 A 80 ASP middle . . 115 A 81 HIS middle . . 116 A 82 LEU middle . . 117 A 83 LYS middle . . 118 A 84 THR middle . . 119 A 85 HIS middle -HE2 . 120 A 86 THR middle . . 121 A 87 ARG middle . . 122 A 88 THR middle . . 123 A 89 HIS middle -HE2 . 124 A 90 THR middle . . 125 A 91 GLY middle . false 126 A 92 GLU middle . . 127 A 93 LYS middle . . 128 A 94 PRO middle . false 129 A 95 PHE middle . . 130 A 96 SER middle . . 131 A 97 CYS middle -HG . 132 A 98 ARG middle . . 133 A 99 TRP middle . . 134 A 100 PRO middle . false 135 A 101 SER middle . . 136 A 102 CYS middle -HG . 137 A 103 GLN middle . . 138 A 104 LYS middle . . 139 A 105 LYS middle . . 140 A 106 PHE middle . . 141 A 107 ALA middle . . 142 A 108 ARG middle . . 143 A 109 SER middle . . 144 A 110 ASP middle . . 145 A 111 GLU middle . . 146 A 112 LEU middle . . 147 A 113 VAL middle . . 148 A 114 ARG middle . . 149 A 115 HIS middle -HE2 . 150 A 116 HIS middle . . 151 A 117 ASN middle . . 152 A 118 MET middle . . 153 A 119 HIS end -HE2 . 154 D 1 ZN . . . 155 D 2 ZN . . . 156 D 3 ZN . . . 157 D 4 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 GLU H H 1 8.583 0.03 A 3 GLU N N 15 123.407 0.1 A 4 LYS H H 1 8.378 0.03 A 4 LYS N N 15 123.051 0.1 A 5 ARG H H 1 8.297 0.03 A 5 ARG N N 15 122.300 0.1 A 7 PHE H H 1 8.026 0.03 A 7 PHE N N 15 117.825 0.1 A 8 MET H H 1 8.710 0.03 A 8 MET N N 15 124.198 0.1 A 9 CYS H H 1 8.749 0.03 A 9 CYS N N 15 127.362 0.1 A 10 ALA H H 1 8.807 0.03 A 10 ALA N N 15 132.015 0.1 A 11 TYR H H 1 9.112 0.03 A 11 TYR N N 15 127.978 0.1 A 13 GLY H H 1 8.799 0.03 A 13 GLY N N 15 112.685 0.1 A 14 CYS H H 1 8.096 0.03 A 14 CYS N N 15 123.719 0.1 A 15 ASN H H 1 8.692 0.03 A 15 ASN N N 15 116.286 0.1 A 16 LYS H H 1 8.045 0.03 A 16 LYS N N 15 121.468 0.1 A 17 ARG H H 1 7.745 0.03 A 17 ARG N N 15 117.692 0.1 A 18 TYR H H 1 8.780 0.03 A 18 TYR N N 15 117.781 0.1 A 19 PHE H H 1 9.937 0.03 A 19 PHE N N 15 118.840 0.1 A 20 LYS H H 1 7.273 0.03 A 20 LYS N N 15 115.453 0.1 A 21 LEU H H 1 8.628 0.03 A 21 LEU N N 15 128.015 0.1 A 22 SER H H 1 8.334 0.03 A 22 SER N N 15 113.076 0.1 A 23 HIS H H 1 6.799 0.03 A 23 HIS N N 15 121.228 0.1 A 24 LEU H H 1 7.185 0.03 A 24 LEU N N 15 121.867 0.1 A 25 GLN H H 1 8.765 0.03 A 25 GLN N N 15 120.082 0.1 A 26 MET H H 1 7.757 0.03 A 26 MET N N 15 118.154 0.1 A 27 HIS H H 1 7.705 0.03 A 27 HIS N N 15 120.900 0.1 A 28 SER H H 1 8.761 0.03 A 28 SER N N 15 113.519 0.1 A 29 ARG H H 1 7.292 0.03 A 29 ARG N N 15 120.285 0.1 A 30 LYS H H 1 8.050 0.03 A 30 LYS N N 15 119.711 0.1 A 31 HIS H H 1 7.106 0.03 A 31 HIS N N 15 114.569 0.1 A 32 THR H H 1 7.875 0.03 A 32 THR N N 15 108.380 0.1 A 33 GLY H H 1 7.900 0.03 A 33 GLY N N 15 109.530 0.1 A 34 GLU H H 1 7.801 0.03 A 34 GLU N N 15 120.330 0.1 A 35 LYS H H 1 8.486 0.03 A 35 LYS N N 15 124.549 0.1 A 37 TYR H H 1 7.761 0.03 A 37 TYR N N 15 116.813 0.1 A 38 GLN H H 1 8.808 0.03 A 38 GLN N N 15 125.170 0.1 A 39 CYS H H 1 8.916 0.03 A 39 CYS N N 15 128.679 0.1 A 40 ASP H H 1 8.534 0.03 A 40 ASP N N 15 127.405 0.1 A 41 PHE H H 1 8.968 0.03 A 41 PHE N N 15 126.115 0.1 A 42 LYS H H 1 7.859 0.03 A 42 LYS N N 15 127.184 0.1 A 43 ASP H H 1 8.750 0.03 A 43 ASP N N 15 119.850 0.1 A 44 CYS H H 1 8.276 0.03 A 44 CYS N N 15 122.937 0.1 A 45 GLU H H 1 8.535 0.03 A 45 GLU N N 15 117.300 0.1 A 46 ARG H H 1 8.295 0.03 A 46 ARG N N 15 122.476 0.1 A 47 ARG H H 1 7.821 0.03 A 47 ARG N N 15 118.925 0.1 A 48 PHE H H 1 8.898 0.03 A 48 PHE N N 15 116.106 0.1 A 49 SER H H 1 9.317 0.03 A 49 SER N N 15 116.374 0.1 A 50 ARG H H 1 7.224 0.03 A 50 ARG N N 15 116.989 0.1 A 51 SER H H 1 8.701 0.03 A 51 SER N N 15 120.241 0.1 A 52 ASP H H 1 8.739 0.03 A 52 ASP N N 15 120.994 0.1 A 53 GLN H H 1 6.950 0.03 A 53 GLN N N 15 121.297 0.1 A 54 LEU H H 1 6.931 0.03 A 54 LEU N N 15 121.427 0.1 A 55 LYS H H 1 8.095 0.03 A 55 LYS N N 15 119.232 0.1 A 56 ARG H H 1 7.859 0.03 A 56 ARG N N 15 119.626 0.1 A 57 HIS H H 1 7.646 0.03 A 57 HIS N N 15 119.933 0.1 A 58 GLN H H 1 8.564 0.03 A 58 GLN N N 15 116.200 0.1 A 59 ARG H H 1 7.381 0.03 A 59 ARG N N 15 117.693 0.1 A 60 ARG H H 1 8.047 0.03 A 60 ARG N N 15 120.064 0.1 A 61 HIS H H 1 7.117 0.03 A 61 HIS N N 15 114.755 0.1 A 62 THR H H 1 7.945 0.03 A 62 THR N N 15 107.330 0.1 A 63 GLY H H 1 7.917 0.03 A 63 GLY N N 15 109.919 0.1 A 64 VAL H H 1 7.332 0.03 A 64 VAL N N 15 120.153 0.1 A 65 LYS H H 1 8.271 0.03 A 65 LYS N N 15 127.279 0.1 A 67 PHE H H 1 7.685 0.03 A 67 PHE N N 15 115.798 0.1 A 68 GLN H H 1 9.033 0.03 A 68 GLN N N 15 124.285 0.1 A 69 CYS H H 1 9.228 0.03 A 69 CYS N N 15 128.635 0.1 A 70 LYS H H 1 9.194 0.03 A 70 LYS N N 15 131.237 0.1 A 71 THR H H 1 8.887 0.03 A 71 THR N N 15 118.615 0.1 A 72 CYS H H 1 8.299 0.03 A 72 CYS N N 15 119.281 0.1 A 73 GLN H H 1 7.845 0.03 A 73 GLN N N 15 115.407 0.1 A 74 ARG H H 1 8.388 0.03 A 74 ARG N N 15 124.632 0.1 A 75 LYS H H 1 8.107 0.03 A 75 LYS N N 15 123.062 0.1 A 76 PHE H H 1 9.112 0.03 A 76 PHE N N 15 118.222 0.1 A 77 SER H H 1 9.703 0.03 A 77 SER N N 15 117.117 0.1 A 78 ARG H H 1 7.951 0.03 A 78 ARG N N 15 119.671 0.1 A 79 SER H H 1 8.220 0.03 A 79 SER N N 15 120.022 0.1 A 80 ASP H H 1 8.671 0.03 A 80 ASP N N 15 123.138 0.1 A 81 HIS H H 1 6.970 0.03 A 81 HIS N N 15 119.628 0.1 A 82 LEU H H 1 7.430 0.03 A 82 LEU N N 15 121.120 0.1 A 83 LYS H H 1 7.909 0.03 A 83 LYS N N 15 120.460 0.1 A 84 THR H H 1 7.898 0.03 A 84 THR N N 15 109.529 0.1 A 85 HIS H H 1 8.514 0.03 A 85 HIS N N 15 125.519 0.1 A 86 THR H H 1 8.701 0.03 A 86 THR N N 15 116.556 0.1 A 87 ARG H H 1 7.420 0.03 A 87 ARG N N 15 119.761 0.1 A 88 THR H H 1 8.172 0.03 A 88 THR N N 15 113.300 0.1 A 89 HIS H H 1 7.359 0.03 A 89 HIS N N 15 117.512 0.1 A 90 THR H H 1 7.948 0.03 A 90 THR N N 15 107.897 0.1 A 91 GLY H H 1 8.022 0.03 A 91 GLY N N 15 109.824 0.1 A 92 GLU H H 1 7.615 0.03 A 92 GLU N N 15 121.559 0.1 A 93 LYS H H 1 8.339 0.03 A 93 LYS N N 15 126.132 0.1 A 95 PHE H H 1 7.773 0.03 A 95 PHE N N 15 116.808 0.1 A 96 SER H H 1 8.672 0.03 A 96 SER N N 15 119.320 0.1 A 97 CYS H H 1 8.564 0.03 A 97 CYS N N 15 126.087 0.1 A 99 TRP H H 1 9.755 0.03 A 99 TRP HE1 H 1 9.944 0.03 A 99 TRP N N 15 130.042 0.1 A 99 TRP NE1 N 15 128.126 0.1 A 101 SER H H 1 8.418 0.03 A 101 SER N N 15 112.911 0.1 A 102 CYS H H 1 8.246 0.03 A 102 CYS N N 15 125.735 0.1 A 104 LYS H H 1 8.333 0.03 A 104 LYS N N 15 122.595 0.1 A 105 LYS H H 1 7.410 0.03 A 105 LYS N N 15 119.231 0.1 A 106 PHE H H 1 8.835 0.03 A 106 PHE N N 15 115.931 0.1 A 107 ALA H H 1 9.312 0.03 A 107 ALA N N 15 123.802 0.1 A 108 ARG H H 1 7.963 0.03 A 108 ARG N N 15 113.829 0.1 A 109 SER H H 1 8.422 0.03 A 109 SER N N 15 120.636 0.1 A 110 ASP H H 1 8.594 0.03 A 110 ASP N N 15 118.791 0.1 A 111 GLU H H 1 6.981 0.03 A 111 GLU N N 15 120.900 0.1 A 112 LEU H H 1 6.735 0.03 A 112 LEU N N 15 121.033 0.1 A 113 VAL H H 1 7.587 0.03 A 113 VAL N N 15 119.407 0.1 A 114 ARG H H 1 7.252 0.03 A 114 ARG N N 15 117.607 0.1 A 115 HIS H H 1 7.476 0.03 A 115 HIS N N 15 117.475 0.1 A 116 HIS H H 1 9.074 0.03 A 116 HIS N N 15 119.447 0.1 A 117 ASN H H 1 7.679 0.03 A 117 ASN N N 15 115.754 0.1 A 118 MET H H 1 7.847 0.03 A 118 MET N N 15 118.377 0.1 A 119 HIS H H 1 6.901 0.03 A 119 HIS N N 15 124.724 0.1 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 37 TYR HA A 38 GLN H 1.0 . 2.7 2 2 A 38 GLN HA A 39 CYS H 1.0 . 2.7 3 3 A 39 CYS HA A 40 ASP H 1.0 . 2.7 4 4 A 46 ARG HA A 47 ARG H 1.0 . 2.7 5 5 A 47 ARG HA A 48 PHE H 1.0 . 2.7 6 6 A 48 PHE HA A 49 SER H 1.0 . 2.7 7 7 A 38 GLN HA A 47 ARG HA 1.0 . 2.7 8 8 A 38 GLN HA A 48 PHE H 1.0 . 3.3 9 9 A 39 CYS H A 47 ARG HA 1.0 . 3.3 10 10 A 49 SER HA A 37 TYR H 1.0 . 3.3 11 11 A 38 GLN HA A 46 ARG H 1.0 . 5.0 12 12 A 47 ARG HA A 37 TYR H 1.0 . 5.0 13 13 A 48 PHE H A 37 TYR H 1.0 . 3.5 14 14 A 48 PHE H A 37 TYR O 1.0 . 2.0 15 15 A 37 TYR O A 48 PHE N 1.0 . 3.0 16 16 A 39 CYS H A 46 ARG O 1.0 . 2.0 17 17 A 46 ARG O A 39 CYS N 1.0 . 3.0 18 18 A 37 TYR H A 48 PHE O 1.0 . 2.0 19 19 A 48 PHE O A 37 TYR N 1.0 . 3.0 20 20 A 51 SER H A 52 ASP H 1.0 . 3.0 21 21 A 52 ASP H A 53 GLN H 1.0 . 3.0 22 22 A 53 GLN H A 54 LEU H 1.0 . 3.0 23 23 A 54 LEU H A 55 LYS H 1.0 . 3.0 24 24 A 55 LYS H A 56 ARG H 1.0 . 3.0 25 25 A 56 ARG H A 57 HIS H 1.0 . 3.0 26 26 A 57 HIS H A 58 GLN H 1.0 . 3.0 27 27 A 58 GLN H A 59 ARG H 1.0 . 3.0 28 28 A 59 ARG H A 60 ARG H 1.0 . 3.0 29 29 A 60 ARG H A 61 HIS H 1.0 . 3.0 30 30 A 61 HIS H A 62 THR H 1.0 . 3.0 31 31 A 62 THR H A 63 GLY H 1.0 . 3.0 32 32 A 51 SER H A 53 GLN H 1.0 . 5.0 33 33 A 52 ASP H A 54 LEU H 1.0 . 5.0 34 34 A 53 GLN H A 55 LYS H 1.0 . 5.0 35 35 A 54 LEU H A 56 ARG H 1.0 . 5.0 36 36 A 55 LYS H A 57 HIS H 1.0 . 5.0 37 37 A 56 ARG H A 58 GLN H 1.0 . 5.0 38 38 A 57 HIS H A 59 ARG H 1.0 . 5.0 39 39 A 58 GLN H A 60 ARG H 1.0 . 5.0 40 40 A 59 ARG H A 61 HIS H 1.0 . 5.0 41 41 A 60 ARG H A 62 THR H 1.0 . 5.0 42 42 A 61 HIS H A 63 GLY H 1.0 . 5.0 43 43 A 53 GLN H A 51 SER HA 1.0 . 5.0 44 44 A 54 LEU H A 52 ASP HA 1.0 . 5.0 45 45 A 55 LYS H A 53 GLN HA 1.0 . 5.0 46 46 A 56 ARG H A 54 LEU HA 1.0 . 5.0 47 47 A 57 HIS H A 55 LYS HA 1.0 . 5.0 48 48 A 58 GLN H A 56 ARG HA 1.0 . 5.0 49 49 A 59 ARG H A 57 HIS HA 1.0 . 5.0 50 50 A 60 ARG H A 58 GLN HA 1.0 . 5.0 51 51 A 61 HIS H A 59 ARG HA 1.0 . 5.0 52 52 A 62 THR H A 60 ARG HA 1.0 . 5.0 53 53 A 63 GLY H A 61 HIS HA 1.0 . 5.0 54 54 A 54 LEU H A 51 SER HA 1.0 . 5.0 55 55 A 55 LYS H A 52 ASP HA 1.0 . 5.0 56 56 A 56 ARG H A 53 GLN HA 1.0 . 5.0 57 57 A 57 HIS H A 54 LEU HA 1.0 . 5.0 58 58 A 58 GLN H A 55 LYS HA 1.0 . 5.0 59 59 A 59 ARG H A 56 ARG HA 1.0 . 5.0 60 60 A 60 ARG H A 57 HIS HA 1.0 . 5.0 61 61 A 61 HIS H A 58 GLN HA 1.0 . 5.0 62 62 A 62 THR H A 59 ARG HA 1.0 . 5.0 63 63 A 63 GLY H A 60 ARG HA 1.0 . 5.0 64 64 A 55 LYS H A 51 SER HA 1.0 . 5.0 65 65 A 56 ARG H A 52 ASP HA 1.0 . 5.0 66 66 A 57 HIS H A 53 GLN HA 1.0 . 5.0 67 67 A 58 GLN H A 54 LEU HA 1.0 . 5.0 68 68 A 51 SER HA A 54 LEU HBx 1.0 . 3.3 69 69 A 51 SER HA A 54 LEU HBy 1.0 . 3.3 70 70 A 52 ASP HA A 55 LYS HBx 1.0 . 3.3 71 71 A 52 ASP HA A 55 LYS HBy 1.0 . 3.3 72 72 A 53 GLN HA A 56 ARG HBx 1.0 . 3.3 73 73 A 53 GLN HA A 56 ARG HBy 1.0 . 3.3 74 74 A 54 LEU HA A 57 HIS HBx 1.0 . 3.3 75 75 A 54 LEU HA A 57 HIS HBy 1.0 . 3.3 76 76 A 55 LYS HA A 58 GLN HBx 1.0 . 3.3 77 77 A 55 LYS HA A 58 GLN HBy 1.0 . 3.3 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_8 _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 95 PHE HA A 96 SER H 1.0 . 2.7 2 2 A 96 SER HA A 97 CYS H 1.0 . 2.7 3 3 A 97 CYS HA A 98 ARG H 1.0 . 2.7 4 4 A 104 LYS HA A 105 LYS H 1.0 . 2.7 5 5 A 105 LYS HA A 106 PHE H 1.0 . 2.7 6 6 A 106 PHE HA A 107 ALA H 1.0 . 2.7 7 7 A 96 SER HA A 105 LYS HA 1.0 . 2.7 8 8 A 96 SER HA A 106 PHE H 1.0 . 3.3 9 9 A 97 CYS H A 105 LYS HA 1.0 . 3.3 10 10 A 107 ALA HA A 95 PHE H 1.0 . 3.3 11 11 A 96 SER HA A 104 LYS H 1.0 . 5.0 12 12 A 105 LYS HA A 95 PHE H 1.0 . 5.0 13 13 A 106 PHE H A 95 PHE H 1.0 . 3.5 14 14 A 106 PHE H A 95 PHE O 1.0 . 2.0 15 15 A 95 PHE O A 106 PHE N 1.0 . 3.0 16 16 A 97 CYS H A 104 LYS O 1.0 . 2.0 17 17 A 104 LYS O A 97 CYS N 1.0 . 3.0 18 18 A 95 PHE H A 106 PHE O 1.0 . 2.0 19 19 A 106 PHE O A 95 PHE N 1.0 . 3.0 20 20 A 109 SER H A 110 ASP H 1.0 . 3.0 21 21 A 110 ASP H A 111 GLU H 1.0 . 3.0 22 22 A 111 GLU H A 112 LEU H 1.0 . 3.0 23 23 A 112 LEU H A 113 VAL H 1.0 . 3.0 24 24 A 113 VAL H A 114 ARG H 1.0 . 3.0 25 25 A 114 ARG H A 115 HIS H 1.0 . 3.0 26 26 A 115 HIS H A 116 HIS H 1.0 . 3.0 27 27 A 116 HIS H A 117 ASN H 1.0 . 3.0 28 28 A 117 ASN H A 118 MET H 1.0 . 3.0 29 29 A 118 MET H A 119 HIS H 1.0 . 3.0 30 30 A 109 SER H A 111 GLU H 1.0 . 5.0 31 31 A 110 ASP H A 112 LEU H 1.0 . 5.0 32 32 A 111 GLU H A 113 VAL H 1.0 . 5.0 33 33 A 112 LEU H A 114 ARG H 1.0 . 5.0 34 34 A 113 VAL H A 115 HIS H 1.0 . 5.0 35 35 A 114 ARG H A 116 HIS H 1.0 . 5.0 36 36 A 115 HIS H A 117 ASN H 1.0 . 5.0 37 37 A 116 HIS H A 118 MET H 1.0 . 5.0 38 38 A 117 ASN H A 119 HIS H 1.0 . 5.0 39 39 A 111 GLU H A 109 SER HA 1.0 . 5.0 40 40 A 112 LEU H A 110 ASP HA 1.0 . 5.0 41 41 A 113 VAL H A 111 GLU HA 1.0 . 5.0 42 42 A 114 ARG H A 112 LEU HA 1.0 . 5.0 43 43 A 115 HIS H A 113 VAL HA 1.0 . 5.0 44 44 A 116 HIS H A 114 ARG HA 1.0 . 5.0 45 45 A 117 ASN H A 115 HIS HA 1.0 . 5.0 46 46 A 118 MET H A 116 HIS HA 1.0 . 5.0 47 47 A 119 HIS H A 117 ASN HA 1.0 . 5.0 48 48 A 112 LEU H A 109 SER HA 1.0 . 5.0 49 49 A 113 VAL H A 110 ASP HA 1.0 . 5.0 50 50 A 114 ARG H A 111 GLU HA 1.0 . 5.0 51 51 A 115 HIS H A 112 LEU HA 1.0 . 5.0 52 52 A 116 HIS H A 113 VAL HA 1.0 . 5.0 53 53 A 117 ASN H A 114 ARG HA 1.0 . 5.0 54 54 A 118 MET H A 115 HIS HA 1.0 . 5.0 55 55 A 119 HIS H A 116 HIS HA 1.0 . 5.0 56 56 A 113 VAL H A 109 SER HA 1.0 . 5.0 57 57 A 114 ARG H A 110 ASP HA 1.0 . 5.0 58 58 A 115 HIS H A 111 GLU HA 1.0 . 5.0 59 59 A 116 HIS H A 112 LEU HA 1.0 . 5.0 60 60 A 109 SER HA A 112 LEU HBx 1.0 . 3.3 61 61 A 109 SER HA A 112 LEU HBy 1.0 . 3.3 62 62 A 110 ASP HA A 113 VAL HB 1.0 . 3.3 63 63 A 111 GLU HA A 114 ARG HBx 1.0 . 3.3 64 64 A 111 GLU HA A 114 ARG HBy 1.0 . 3.3 65 65 A 112 LEU HA A 115 HIS HBx 1.0 . 3.3 66 66 A 112 LEU HA A 115 HIS HBy 1.0 . 3.3 67 67 A 113 VAL HA A 116 HIS HBx 1.0 . 3.3 68 68 A 113 VAL HA A 116 HIS HBy 1.0 . 3.3 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _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 67 PHE HA A 68 GLN H 1.0 . 2.7 2 2 A 68 GLN HA A 69 CYS H 1.0 . 2.7 3 3 A 69 CYS HA A 70 LYS H 1.0 . 2.7 4 4 A 74 ARG HA A 75 LYS H 1.0 . 2.7 5 5 A 75 LYS HA A 76 PHE H 1.0 . 2.7 6 6 A 76 PHE HA A 77 SER H 1.0 . 2.7 7 7 A 68 GLN HA A 75 LYS HA 1.0 . 2.7 8 8 A 68 GLN HA A 76 PHE H 1.0 . 3.3 9 9 A 69 CYS H A 75 LYS HA 1.0 . 3.3 10 10 A 77 SER HA A 67 PHE H 1.0 . 3.3 11 11 A 68 GLN HA A 74 ARG H 1.0 . 5.0 12 12 A 75 LYS HA A 67 PHE H 1.0 . 5.0 13 13 A 76 PHE H A 67 PHE H 1.0 . 3.5 14 14 A 76 PHE H A 67 PHE O 1.0 . 2.0 15 15 A 67 PHE O A 76 PHE N 1.0 . 3.0 16 16 A 69 CYS H A 74 ARG O 1.0 . 2.0 17 17 A 74 ARG O A 69 CYS N 1.0 . 3.0 18 18 A 67 PHE H A 76 PHE O 1.0 . 2.0 19 19 A 76 PHE O A 67 PHE N 1.0 . 3.0 20 20 A 79 SER H A 80 ASP H 1.0 . 3.0 21 21 A 80 ASP H A 81 HIS H 1.0 . 3.0 22 22 A 81 HIS H A 82 LEU H 1.0 . 3.0 23 23 A 82 LEU H A 83 LYS H 1.0 . 3.0 24 24 A 83 LYS H A 84 THR H 1.0 . 3.0 25 25 A 84 THR H A 85 HIS H 1.0 . 3.0 26 26 A 85 HIS H A 86 THR H 1.0 . 3.0 27 27 A 86 THR H A 87 ARG H 1.0 . 3.0 28 28 A 87 ARG H A 88 THR H 1.0 . 3.0 29 29 A 88 THR H A 89 HIS H 1.0 . 3.0 30 30 A 89 HIS H A 90 THR H 1.0 . 3.0 31 31 A 90 THR H A 91 GLY H 1.0 . 3.0 32 32 A 79 SER H A 81 HIS H 1.0 . 5.0 33 33 A 80 ASP H A 82 LEU H 1.0 . 5.0 34 34 A 81 HIS H A 83 LYS H 1.0 . 5.0 35 35 A 82 LEU H A 84 THR H 1.0 . 5.0 36 36 A 83 LYS H A 85 HIS H 1.0 . 5.0 37 37 A 84 THR H A 86 THR H 1.0 . 5.0 38 38 A 85 HIS H A 87 ARG H 1.0 . 5.0 39 39 A 86 THR H A 88 THR H 1.0 . 5.0 40 40 A 87 ARG H A 89 HIS H 1.0 . 5.0 41 41 A 88 THR H A 90 THR H 1.0 . 5.0 42 42 A 89 HIS H A 91 GLY H 1.0 . 5.0 43 43 A 81 HIS H A 79 SER HA 1.0 . 5.0 44 44 A 82 LEU H A 80 ASP HA 1.0 . 5.0 45 45 A 83 LYS H A 81 HIS HA 1.0 . 5.0 46 46 A 84 THR H A 82 LEU HA 1.0 . 5.0 47 47 A 85 HIS H A 83 LYS HA 1.0 . 5.0 48 48 A 86 THR H A 84 THR HA 1.0 . 5.0 49 49 A 87 ARG H A 85 HIS HA 1.0 . 5.0 50 50 A 88 THR H A 86 THR HA 1.0 . 5.0 51 51 A 89 HIS H A 87 ARG HA 1.0 . 5.0 52 52 A 90 THR H A 88 THR HA 1.0 . 5.0 53 53 A 91 GLY H A 89 HIS HA 1.0 . 5.0 54 54 A 82 LEU H A 79 SER HA 1.0 . 5.0 55 55 A 83 LYS H A 80 ASP HA 1.0 . 5.0 56 56 A 84 THR H A 81 HIS HA 1.0 . 5.0 57 57 A 85 HIS H A 82 LEU HA 1.0 . 5.0 58 58 A 86 THR H A 83 LYS HA 1.0 . 5.0 59 59 A 87 ARG H A 84 THR HA 1.0 . 5.0 60 60 A 88 THR H A 85 HIS HA 1.0 . 5.0 61 61 A 89 HIS H A 86 THR HA 1.0 . 5.0 62 62 A 90 THR H A 87 ARG HA 1.0 . 5.0 63 63 A 91 GLY H A 88 THR HA 1.0 . 5.0 64 64 A 83 LYS H A 79 SER HA 1.0 . 5.0 65 65 A 84 THR H A 80 ASP HA 1.0 . 5.0 66 66 A 85 HIS H A 81 HIS HA 1.0 . 5.0 67 67 A 86 THR H A 82 LEU HA 1.0 . 5.0 68 68 A 79 SER HA A 82 LEU HBx 1.0 . 3.3 69 69 A 79 SER HA A 82 LEU HBy 1.0 . 3.3 70 70 A 80 ASP HA A 83 LYS HBx 1.0 . 3.3 71 71 A 80 ASP HA A 83 LYS HBy 1.0 . 3.3 72 72 A 81 HIS HA A 84 THR HB 1.0 . 3.3 73 73 A 81 HIS HA A 84 THR HG21 1.0 . 3.3 74 74 A 82 LEU HA A 85 HIS HBx 1.0 . 3.3 75 75 A 82 LEU HA A 85 HIS HBy 1.0 . 3.3 76 76 A 83 LYS HA A 86 THR HB 1.0 . 3.3 77 77 A 83 LYS HA A 86 THR HG21 1.0 . 3.3 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 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 7 PHE HA A 8 MET H 1.0 . 2.7 2 2 A 8 MET HA A 9 CYS H 1.0 . 2.7 3 3 A 9 CYS HA A 10 ALA H 1.0 . 2.7 4 4 A 16 LYS HA A 17 ARG H 1.0 . 2.7 5 5 A 17 ARG HA A 18 TYR H 1.0 . 2.7 6 6 A 18 TYR HA A 19 PHE H 1.0 . 2.7 7 7 A 8 MET HA A 17 ARG HA 1.0 . 2.7 8 8 A 8 MET HA A 18 TYR H 1.0 . 3.3 9 9 A 9 CYS H A 17 ARG HA 1.0 . 3.3 10 10 A 19 PHE HA A 7 PHE H 1.0 . 3.3 11 11 A 8 MET HA A 16 LYS H 1.0 . 5.0 12 12 A 17 ARG HA A 7 PHE H 1.0 . 5.0 13 13 A 18 TYR H A 7 PHE H 1.0 . 3.5 14 14 A 18 TYR H A 7 PHE O 1.0 . 2.0 15 15 A 7 PHE O A 18 TYR N 1.0 . 3.0 16 16 A 9 CYS H A 16 LYS O 1.0 . 2.0 17 17 A 16 LYS O A 9 CYS N 1.0 . 3.0 18 18 A 7 PHE H A 18 TYR O 1.0 . 2.0 19 19 A 18 TYR O A 7 PHE N 1.0 . 3.0 20 20 A 21 LEU H A 22 SER H 1.0 . 3.0 21 21 A 22 SER H A 23 HIS H 1.0 . 3.0 22 22 A 23 HIS H A 24 LEU H 1.0 . 3.0 23 23 A 24 LEU H A 25 GLN H 1.0 . 3.0 24 24 A 25 GLN H A 26 MET H 1.0 . 3.0 25 25 A 26 MET H A 27 HIS H 1.0 . 3.0 26 26 A 27 HIS H A 28 SER H 1.0 . 3.0 27 27 A 28 SER H A 29 ARG H 1.0 . 3.0 28 28 A 29 ARG H A 30 LYS H 1.0 . 3.0 29 29 A 30 LYS H A 31 HIS H 1.0 . 3.0 30 30 A 31 HIS H A 32 THR H 1.0 . 3.0 31 31 A 32 THR H A 33 GLY H 1.0 . 3.0 32 32 A 21 LEU H A 23 HIS H 1.0 . 5.0 33 33 A 22 SER H A 24 LEU H 1.0 . 5.0 34 34 A 23 HIS H A 25 GLN H 1.0 . 5.0 35 35 A 24 LEU H A 26 MET H 1.0 . 5.0 36 36 A 25 GLN H A 27 HIS H 1.0 . 5.0 37 37 A 26 MET H A 28 SER H 1.0 . 5.0 38 38 A 27 HIS H A 29 ARG H 1.0 . 5.0 39 39 A 28 SER H A 30 LYS H 1.0 . 5.0 40 40 A 29 ARG H A 31 HIS H 1.0 . 5.0 41 41 A 30 LYS H A 32 THR H 1.0 . 5.0 42 42 A 31 HIS H A 33 GLY H 1.0 . 5.0 43 43 A 23 HIS H A 21 LEU HA 1.0 . 5.0 44 44 A 24 LEU H A 22 SER HA 1.0 . 5.0 45 45 A 25 GLN H A 23 HIS HA 1.0 . 5.0 46 46 A 26 MET H A 24 LEU HA 1.0 . 5.0 47 47 A 27 HIS H A 25 GLN HA 1.0 . 5.0 48 48 A 28 SER H A 26 MET HA 1.0 . 5.0 49 49 A 29 ARG H A 27 HIS HA 1.0 . 5.0 50 50 A 30 LYS H A 28 SER HA 1.0 . 5.0 51 51 A 31 HIS H A 29 ARG HA 1.0 . 5.0 52 52 A 32 THR H A 30 LYS HA 1.0 . 5.0 53 53 A 33 GLY H A 31 HIS HA 1.0 . 5.0 54 54 A 24 LEU H A 21 LEU HA 1.0 . 5.0 55 55 A 25 GLN H A 22 SER HA 1.0 . 5.0 56 56 A 26 MET H A 23 HIS HA 1.0 . 5.0 57 57 A 27 HIS H A 24 LEU HA 1.0 . 5.0 58 58 A 28 SER H A 25 GLN HA 1.0 . 5.0 59 59 A 29 ARG H A 26 MET HA 1.0 . 5.0 60 60 A 30 LYS H A 27 HIS HA 1.0 . 5.0 61 61 A 31 HIS H A 28 SER HA 1.0 . 5.0 62 62 A 32 THR H A 29 ARG HA 1.0 . 5.0 63 63 A 33 GLY H A 30 LYS HA 1.0 . 5.0 64 64 A 25 GLN H A 21 LEU HA 1.0 . 5.0 65 65 A 26 MET H A 22 SER HA 1.0 . 5.0 66 66 A 27 HIS H A 23 HIS HA 1.0 . 5.0 67 67 A 28 SER H A 24 LEU HA 1.0 . 5.0 68 68 A 21 LEU HA A 24 LEU HBx 1.0 . 3.3 69 69 A 21 LEU HA A 24 LEU HBy 1.0 . 3.3 70 70 A 22 SER HA A 25 GLN HBx 1.0 . 3.3 71 71 A 22 SER HA A 25 GLN HBy 1.0 . 3.3 72 72 A 23 HIS HA A 26 MET HBx 1.0 . 3.3 73 73 A 23 HIS HA A 26 MET HBy 1.0 . 3.3 74 74 A 24 LEU HA A 27 HIS HBx 1.0 . 3.3 75 75 A 24 LEU HA A 27 HIS HBy 1.0 . 3.3 76 76 A 25 GLN HA A 28 SER HBx 1.0 . 3.3 77 77 A 25 GLN HA A 28 SER HBy 1.0 . 3.3 stop_ save_ save_DYANA/DIANA_distance_constraints_10 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_10 _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 7 PHE CA A 18 TYR CA 1.0 . 5.0 2 2 A 7 PHE CA A 18 TYR CB 1.0 . 5.0 3 3 A 18 TYR CA A 7 PHE CB 1.0 . 5.0 4 4 A 18 TYR CB A 7 PHE CB 1.0 . 4.0 5 5 A 7 PHE CB A 24 LEU CB 1.0 . 5.0 6 6 A 7 PHE CB A 24 LEU CDx 1.0 . 5.0 7 7 A 7 PHE CDx A 21 LEU CA 1.0 . 5.0 8 8 A 7 PHE CDx A 21 LEU CB 1.0 . 5.0 9 9 A 24 LEU CDx A 7 PHE CDx 1.0 . 5.0 10 10 A 21 LEU CA A 7 PHE CEx 1.0 . 4.0 11 11 A 21 LEU CB A 7 PHE CEx 1.0 . 4.0 12 12 A 7 PHE CEx A 21 LEU CDx 1.0 . 5.0 13 13 A 7 PHE CEy A 20 LYS CA 1.0 . 5.0 14 14 A 21 LEU CA A 7 PHE CEy 1.0 . 4.0 15 15 A 21 LEU CB A 7 PHE CEy 1.0 . 4.0 16 16 A 20 LYS CA A 7 PHE CDy 1.0 . 5.0 17 17 A 21 LEU CA A 7 PHE CDy 1.0 . 5.0 18 18 A 21 LEU CB A 7 PHE CDy 1.0 . 5.0 19 19 A 8 MET CA A 17 ARG CA 1.0 . 5.0 20 20 A 8 MET CA A 18 TYR CDy 1.0 . 5.0 21 21 A 8 MET CB A 16 LYS CA 1.0 . 5.0 22 22 A 17 ARG CA A 8 MET CB 1.0 . 5.0 23 23 A 9 CYS CA A 24 LEU CDy 1.0 . 5.0 24 24 A 9 CYS CA A 27 HIS CD2 1.0 . 5.0 25 25 A 24 LEU CDy A 9 CYS CB 1.0 . 5.0 26 26 A 27 HIS CD2 A 9 CYS CB 1.0 . 4.0 27 27 A 9 CYS CB A 27 HIS CE1 1.0 . 5.0 28 28 A 9 CYS CB A 31 HIS CD2 1.0 . 5.0 29 29 A 31 HIS CD2 A 11 TYR CA 1.0 . 5.0 30 30 A 11 TYR CA A 31 HIS CE1 1.0 . 5.0 31 31 A 11 TYR CB A 14 CYS CB 1.0 . 5.0 32 32 A 11 TYR CB A 31 HIS CB 1.0 . 5.0 33 33 A 31 HIS CD2 A 11 TYR CB 1.0 . 4.0 34 34 A 31 HIS CE1 A 11 TYR CB 1.0 . 4.0 35 35 A 11 TYR CDx A 31 HIS CA 1.0 . 5.0 36 36 A 31 HIS CB A 11 TYR CDx 1.0 . 4.0 37 37 A 31 HIS CD2 A 11 TYR CDx 1.0 . 5.0 38 38 A 31 HIS CE1 A 11 TYR CDx 1.0 . 5.0 39 39 A 11 TYR CDx A 34 GLU CB 1.0 . 5.0 40 40 A 31 HIS CB A 11 TYR CEx 1.0 . 5.0 41 41 A 11 TYR CEx A 34 GLU CA 1.0 . 5.0 42 42 A 34 GLU CB A 11 TYR CEx 1.0 . 4.0 43 43 A 31 HIS CB A 11 TYR CEy 1.0 . 5.0 44 44 A 31 HIS CE1 A 11 TYR CEy 1.0 . 5.0 45 45 A 34 GLU CB A 11 TYR CEy 1.0 . 5.0 46 46 A 14 CYS CB A 11 TYR CDy 1.0 . 5.0 47 47 A 31 HIS CB A 11 TYR CDy 1.0 . 5.0 48 48 A 31 HIS CD2 A 11 TYR CDy 1.0 . 5.0 49 49 A 31 HIS CE1 A 11 TYR CDy 1.0 . 4.0 50 50 A 34 GLU CB A 11 TYR CDy 1.0 . 5.0 51 51 A 31 HIS CE1 A 14 CYS CB 1.0 . 5.0 52 52 A 18 TYR CA A 23 HIS CD2 1.0 . 5.0 53 53 A 18 TYR CA A 24 LEU CB 1.0 . 5.0 54 54 A 18 TYR CB A 23 HIS CD2 1.0 . 4.0 55 55 A 18 TYR CB A 24 LEU CA 1.0 . 5.0 56 56 A 18 TYR CB A 24 LEU CB 1.0 . 4.0 57 57 A 18 TYR CB A 24 LEU CDy 1.0 . 5.0 58 58 A 23 HIS CD2 A 18 TYR CDx 1.0 . 4.0 59 59 A 18 TYR CDx A 23 HIS CE1 1.0 . 5.0 60 60 A 24 LEU CA A 18 TYR CDx 1.0 . 4.0 61 61 A 24 LEU CB A 18 TYR CDx 1.0 . 4.0 62 62 A 24 LEU CDy A 18 TYR CDx 1.0 . 5.0 63 63 A 18 TYR CDx A 27 HIS CB 1.0 . 5.0 64 64 A 23 HIS CD2 A 18 TYR CEx 1.0 . 5.0 65 65 A 23 HIS CE1 A 18 TYR CEx 1.0 . 5.0 66 66 A 24 LEU CA A 18 TYR CEx 1.0 . 5.0 67 67 A 24 LEU CB A 18 TYR CEx 1.0 . 5.0 68 68 A 24 LEU CDy A 18 TYR CEx 1.0 . 5.0 69 69 A 27 HIS CB A 18 TYR CEx 1.0 . 4.0 70 70 A 24 LEU CA A 18 TYR CEy 1.0 . 5.0 71 71 A 24 LEU CB A 18 TYR CEy 1.0 . 5.0 72 72 A 24 LEU CDy A 18 TYR CEy 1.0 . 4.0 73 73 A 27 HIS CB A 18 TYR CEy 1.0 . 4.0 74 74 A 27 HIS CD2 A 18 TYR CEy 1.0 . 4.0 75 75 A 27 HIS CE1 A 18 TYR CEy 1.0 . 5.0 76 76 A 18 TYR CDy A 24 LEU CA 1.0 . 5.0 77 77 A 24 LEU CB A 18 TYR CDy 1.0 . 5.0 78 78 A 18 TYR CDy A 24 LEU CDy 1.0 . 3.3 79 79 A 18 TYR CDy A 27 HIS CB 1.0 . 5.0 80 80 A 18 TYR CDy A 27 HIS CD2 1.0 . 5.0 81 81 A 23 HIS CD2 A 19 PHE CA 1.0 . 5.0 82 82 A 23 HIS CE1 A 19 PHE CA 1.0 . 5.0 83 83 A 23 HIS CD2 A 19 PHE CB 1.0 . 5.0 84 84 A 23 HIS CE1 A 19 PHE CB 1.0 . 5.0 85 85 A 20 LYS CA A 23 HIS CB 1.0 . 5.0 86 86 A 20 LYS CA A 23 HIS CD2 1.0 . 4.0 87 87 A 20 LYS CA A 23 HIS CE1 1.0 . 5.0 88 88 A 20 LYS CB A 23 HIS CA 1.0 . 5.0 89 89 A 23 HIS CB A 20 LYS CB 1.0 . 3.3 90 90 A 23 HIS CD2 A 20 LYS CB 1.0 . 4.0 91 91 A 23 HIS CE1 A 20 LYS CB 1.0 . 5.0 92 92 A 24 LEU CB A 21 LEU CA 1.0 . 5.0 93 93 A 24 LEU CA A 22 SER CA 1.0 . 5.0 94 94 A 22 SER CA A 25 GLN CA 1.0 . 5.0 95 95 A 22 SER CA A 25 GLN CB 1.0 . 4.0 96 96 A 25 GLN CB A 22 SER CB 1.0 . 5.0 97 97 A 24 LEU CA A 27 HIS CB 1.0 . 5.0 98 98 A 24 LEU CDy A 27 HIS CB 1.0 . 4.0 99 99 A 24 LEU CDy A 27 HIS CD2 1.0 . 4.0 100 100 A 26 MET CA A 29 ARG CB 1.0 . 5.0 101 101 A 27 HIS CD2 A 31 HIS CD2 1.0 . 5.0 102 102 A 27 HIS CE1 A 30 LYS CB 1.0 . 5.0 103 103 A 27 HIS CE1 A 31 HIS CD2 1.0 . 5.0 104 104 A 27 HIS CE1 A 31 HIS CE1 1.0 . 5.0 105 105 A 31 HIS CD2 A 28 SER CA 1.0 . 5.0 106 106 A 29 ARG CA A 32 THR CB 1.0 . 5.0 107 107 A 29 ARG CA A 32 THR CG2 1.0 . 4.0 108 108 A 29 ARG CB A 32 THR CG2 1.0 . 5.0 109 109 A 31 HIS CA A 34 GLU CB 1.0 . 5.0 110 110 A 31 HIS CB A 34 GLU CB 1.0 . 5.0 111 111 A 37 TYR CA A 54 LEU CDy 1.0 . 5.0 112 112 A 37 TYR CB A 48 PHE CB 1.0 . 5.0 113 113 A 37 TYR CB A 54 LEU CB 1.0 . 5.0 114 114 A 37 TYR CB A 54 LEU CDx 1.0 . 5.0 115 115 A 54 LEU CDy A 37 TYR CB 1.0 . 3.3 116 116 A 54 LEU CDy A 37 TYR CDx 1.0 . 5.0 117 117 A 37 TYR CEy A 50 ARG CA 1.0 . 5.0 118 118 A 37 TYR CEy A 51 SER CA 1.0 . 4.0 119 119 A 37 TYR CEy A 51 SER CB 1.0 . 4.0 120 120 A 50 ARG CA A 37 TYR CDy 1.0 . 5.0 121 121 A 51 SER CA A 37 TYR CDy 1.0 . 4.0 122 122 A 51 SER CB A 37 TYR CDy 1.0 . 5.0 123 123 A 54 LEU CB A 37 TYR CDy 1.0 . 5.0 124 124 A 54 LEU CDy A 37 TYR CDy 1.0 . 5.0 125 125 A 38 GLN CA A 47 ARG CA 1.0 . 4.0 126 126 A 38 GLN CA A 47 ARG CB 1.0 . 5.0 127 127 A 54 LEU CDx A 38 GLN CA 1.0 . 5.0 128 128 A 54 LEU CDy A 38 GLN CA 1.0 . 5.0 129 129 A 47 ARG CA A 38 GLN CB 1.0 . 5.0 130 130 A 47 ARG CB A 38 GLN CB 1.0 . 5.0 131 131 A 54 LEU CDx A 39 CYS CA 1.0 . 5.0 132 132 A 39 CYS CB A 41 PHE CB 1.0 . 5.0 133 133 A 39 CYS CB A 44 CYS CB 1.0 . 5.0 134 134 A 54 LEU CDx A 39 CYS CB 1.0 . 5.0 135 135 A 39 CYS CB A 57 HIS CD2 1.0 . 5.0 136 136 A 44 CYS CB A 41 PHE CA 1.0 . 5.0 137 137 A 41 PHE CB A 44 CYS CA 1.0 . 5.0 138 138 A 41 PHE CB A 44 CYS CB 1.0 . 4.0 139 139 A 41 PHE CB A 61 HIS CD2 1.0 . 5.0 140 140 A 41 PHE CB A 61 HIS CE1 1.0 . 5.0 141 141 A 41 PHE CDx A 61 HIS CB 1.0 . 5.0 142 142 A 61 HIS CD2 A 41 PHE CDx 1.0 . 5.0 143 143 A 61 HIS CE1 A 41 PHE CDx 1.0 . 5.0 144 144 A 41 PHE CEx A 61 HIS CA 1.0 . 5.0 145 145 A 61 HIS CB A 41 PHE CEx 1.0 . 4.0 146 146 A 61 HIS CD2 A 41 PHE CEx 1.0 . 5.0 147 147 A 61 HIS CE1 A 41 PHE CEx 1.0 . 5.0 148 148 A 44 CYS CB A 41 PHE CEy 1.0 . 5.0 149 149 A 61 HIS CB A 41 PHE CEy 1.0 . 5.0 150 150 A 61 HIS CD2 A 41 PHE CEy 1.0 . 5.0 151 151 A 61 HIS CE1 A 41 PHE CEy 1.0 . 4.0 152 152 A 44 CYS CA A 41 PHE CDy 1.0 . 5.0 153 153 A 44 CYS CB A 41 PHE CDy 1.0 . 4.0 154 154 A 61 HIS CD2 A 41 PHE CDy 1.0 . 5.0 155 155 A 61 HIS CE1 A 41 PHE CDy 1.0 . 4.0 156 156 A 44 CYS CB A 61 HIS CE1 1.0 . 5.0 157 157 A 46 ARG CB A 48 PHE CEy 1.0 . 5.0 158 158 A 48 PHE CB A 53 GLN CB 1.0 . 5.0 159 159 A 48 PHE CB A 54 LEU CA 1.0 . 5.0 160 160 A 48 PHE CB A 54 LEU CB 1.0 . 5.0 161 161 A 48 PHE CDx A 53 GLN CA 1.0 . 5.0 162 162 A 53 GLN CB A 48 PHE CDx 1.0 . 4.0 163 163 A 54 LEU CA A 48 PHE CDx 1.0 . 5.0 164 164 A 53 GLN CB A 48 PHE CEx 1.0 . 5.0 165 165 A 54 LEU CA A 48 PHE CEx 1.0 . 5.0 166 166 A 48 PHE CEx A 57 HIS CB 1.0 . 5.0 167 167 A 57 HIS CD2 A 48 PHE CEx 1.0 . 5.0 168 168 A 48 PHE CEy A 54 LEU CA 1.0 . 5.0 169 169 A 54 LEU CB A 48 PHE CEy 1.0 . 5.0 170 170 A 54 LEU CDx A 48 PHE CEy 1.0 . 5.0 171 171 A 48 PHE CEy A 57 HIS CB 1.0 . 4.0 172 172 A 57 HIS CD2 A 48 PHE CEy 1.0 . 3.3 173 173 A 48 PHE CEy A 57 HIS CE1 1.0 . 5.0 174 174 A 54 LEU CA A 48 PHE CDy 1.0 . 4.0 175 175 A 54 LEU CB A 48 PHE CDy 1.0 . 4.0 176 176 A 54 LEU CDx A 48 PHE CDy 1.0 . 4.0 177 177 A 57 HIS CB A 48 PHE CDy 1.0 . 5.0 178 178 A 57 HIS CD2 A 48 PHE CDy 1.0 . 5.0 179 179 A 50 ARG CA A 53 GLN CB 1.0 . 5.0 180 180 A 53 GLN CB A 50 ARG CB 1.0 . 5.0 181 181 A 52 ASP CA A 55 LYS CB 1.0 . 5.0 182 182 A 53 GLN CA A 56 ARG CB 1.0 . 5.0 183 183 A 54 LEU CA A 57 HIS CA 1.0 . 5.0 184 184 A 54 LEU CA A 57 HIS CB 1.0 . 4.0 185 185 A 54 LEU CDx A 57 HIS CD2 1.0 . 5.0 186 186 A 55 LYS CA A 58 GLN CA 1.0 . 5.0 187 187 A 55 LYS CA A 58 GLN CB 1.0 . 5.0 188 188 A 56 ARG CA A 59 ARG CB 1.0 . 5.0 189 189 A 57 HIS CD2 A 61 HIS CD2 1.0 . 5.0 190 190 A 61 HIS CD2 A 57 HIS CE1 1.0 . 5.0 191 191 A 61 HIS CD2 A 58 GLN CA 1.0 . 5.0 192 192 A 58 GLN CA A 62 THR CG2 1.0 . 5.0 193 193 A 58 GLN CB A 62 THR CG2 1.0 . 5.0 194 194 A 59 ARG CA A 62 THR CA 1.0 . 5.0 195 195 A 59 ARG CA A 62 THR CB 1.0 . 5.0 196 196 A 62 THR CG2 A 59 ARG CA 1.0 . 5.0 197 197 A 65 LYS CA A 75 LYS CB 1.0 . 5.0 198 198 A 65 LYS CA A 76 PHE CA 1.0 . 5.0 199 199 A 65 LYS CA A 77 SER CA 1.0 . 5.0 200 200 A 65 LYS CB A 75 LYS CA 1.0 . 5.0 201 201 A 75 LYS CB A 65 LYS CB 1.0 . 4.0 202 202 A 76 PHE CA A 65 LYS CB 1.0 . 4.0 203 203 A 77 SER CA A 65 LYS CB 1.0 . 5.0 204 204 A 67 PHE CA A 82 LEU CDx 1.0 . 4.0 205 205 A 76 PHE CA A 67 PHE CB 1.0 . 5.0 206 206 A 67 PHE CB A 76 PHE CB 1.0 . 5.0 207 207 A 67 PHE CB A 79 SER CA 1.0 . 5.0 208 208 A 67 PHE CB A 82 LEU CB 1.0 . 5.0 209 209 A 82 LEU CDx A 67 PHE CB 1.0 . 3.3 210 210 A 77 SER CA A 67 PHE CDx 1.0 . 5.0 211 211 A 67 PHE CDx A 78 ARG CA 1.0 . 4.0 212 212 A 79 SER CA A 67 PHE CDx 1.0 . 5.0 213 213 A 67 PHE CDx A 79 SER CB 1.0 . 5.0 214 214 A 77 SER CA A 67 PHE CEx 1.0 . 5.0 215 215 A 78 ARG CA A 67 PHE CEx 1.0 . 4.0 216 216 A 79 SER CA A 67 PHE CEx 1.0 . 5.0 217 217 A 79 SER CB A 67 PHE CEx 1.0 . 5.0 218 218 A 79 SER CA A 67 PHE CEy 1.0 . 4.0 219 219 A 79 SER CB A 67 PHE CEy 1.0 . 4.0 220 220 A 79 SER CA A 67 PHE CDy 1.0 . 4.0 221 221 A 79 SER CB A 67 PHE CDy 1.0 . 4.0 222 222 A 82 LEU CDx A 67 PHE CDy 1.0 . 5.0 223 223 A 75 LYS CA A 68 GLN CA 1.0 . 5.0 224 224 A 75 LYS CB A 68 GLN CA 1.0 . 5.0 225 225 A 82 LEU CDx A 68 GLN CA 1.0 . 5.0 226 226 A 75 LYS CA A 68 GLN CB 1.0 . 5.0 227 227 A 69 CYS CA A 73 GLN CA 1.0 . 5.0 228 228 A 69 CYS CA A 74 ARG CA 1.0 . 5.0 229 229 A 82 LEU CDx A 69 CYS CA 1.0 . 5.0 230 230 A 69 CYS CB A 72 CYS CA 1.0 . 5.0 231 231 A 69 CYS CB A 72 CYS CB 1.0 . 5.0 232 232 A 73 GLN CA A 69 CYS CB 1.0 . 5.0 233 233 A 74 ARG CA A 69 CYS CB 1.0 . 5.0 234 234 A 69 CYS CB A 74 ARG CB 1.0 . 5.0 235 235 A 69 CYS CB A 76 PHE CEy 1.0 . 5.0 236 236 A 69 CYS CB A 85 HIS CD2 1.0 . 5.0 237 237 A 71 THR CB A 89 HIS CD2 1.0 . 4.0 238 238 A 71 THR CB A 89 HIS CE1 1.0 . 5.0 239 239 A 89 HIS CD2 A 71 THR CG2 1.0 . 4.0 240 240 A 89 HIS CE1 A 71 THR CG2 1.0 . 5.0 241 241 A 72 CYS CB A 74 ARG CB 1.0 . 5.0 242 242 A 72 CYS CB A 89 HIS CE1 1.0 . 5.0 243 243 A 74 ARG CB A 76 PHE CEx 1.0 . 5.0 244 244 A 74 ARG CB A 76 PHE CEy 1.0 . 5.0 245 245 A 76 PHE CB A 82 LEU CA 1.0 . 5.0 246 246 A 76 PHE CB A 82 LEU CB 1.0 . 5.0 247 247 A 82 LEU CDx A 76 PHE CB 1.0 . 5.0 248 248 A 76 PHE CEx A 85 HIS CB 1.0 . 5.0 249 249 A 85 HIS CD2 A 76 PHE CEx 1.0 . 5.0 250 250 A 76 PHE CEy A 82 LEU CA 1.0 . 5.0 251 251 A 82 LEU CB A 76 PHE CEy 1.0 . 5.0 252 252 A 82 LEU CDx A 76 PHE CEy 1.0 . 5.0 253 253 A 76 PHE CEy A 85 HIS CB 1.0 . 4.0 254 254 A 76 PHE CEy A 85 HIS CD2 1.0 . 3.3 255 255 A 76 PHE CEy A 85 HIS CE1 1.0 . 5.0 256 256 A 82 LEU CA A 76 PHE CDy 1.0 . 4.0 257 257 A 82 LEU CB A 76 PHE CDy 1.0 . 4.0 258 258 A 82 LEU CDx A 76 PHE CDy 1.0 . 5.0 259 259 A 85 HIS CB A 76 PHE CDy 1.0 . 5.0 260 260 A 85 HIS CD2 A 76 PHE CDy 1.0 . 5.0 261 261 A 78 ARG CA A 81 HIS CB 1.0 . 5.0 262 262 A 78 ARG CB A 81 HIS CA 1.0 . 5.0 263 263 A 81 HIS CB A 78 ARG CB 1.0 . 5.0 264 264 A 78 ARG CB A 81 HIS CD2 1.0 . 5.0 265 265 A 78 ARG CB A 81 HIS CE1 1.0 . 5.0 266 266 A 79 SER CA A 82 LEU CA 1.0 . 5.0 267 267 A 79 SER CA A 82 LEU CB 1.0 . 5.0 268 268 A 80 ASP CA A 83 LYS CB 1.0 . 5.0 269 269 A 81 HIS CA A 84 THR CA 1.0 . 5.0 270 270 A 81 HIS CA A 84 THR CB 1.0 . 5.0 271 271 A 82 LEU CA A 85 HIS CA 1.0 . 5.0 272 272 A 82 LEU CA A 85 HIS CB 1.0 . 5.0 273 273 A 82 LEU CDy A 86 THR CB 1.0 . 5.0 274 274 A 86 THR CB A 83 LYS CA 1.0 . 5.0 275 275 A 84 THR CA A 87 ARG CB 1.0 . 5.0 276 276 A 85 HIS CA A 88 THR CB 1.0 . 5.0 277 277 A 85 HIS CE1 A 88 THR CB 1.0 . 5.0 278 278 A 85 HIS CE1 A 88 THR CG2 1.0 . 5.0 279 279 A 87 ARG CA A 90 THR CA 1.0 . 5.0 280 280 A 87 ARG CA A 90 THR CB 1.0 . 4.0 281 281 A 87 ARG CA A 90 THR CG2 1.0 . 5.0 282 282 A 87 ARG CB A 90 THR CB 1.0 . 5.0 283 283 A 87 ARG CB A 92 GLU CB 1.0 . 5.0 284 284 A 93 LYS CA A 105 LYS CB 1.0 . 5.0 285 285 A 93 LYS CA A 106 PHE CA 1.0 . 5.0 286 286 A 93 LYS CA A 107 ALA CA 1.0 . 4.0 287 287 A 93 LYS CA A 107 ALA CB 1.0 . 5.0 288 288 A 93 LYS CB A 105 LYS CA 1.0 . 5.0 289 289 A 105 LYS CB A 93 LYS CB 1.0 . 4.0 290 290 A 106 PHE CA A 93 LYS CB 1.0 . 4.0 291 291 A 107 ALA CA A 93 LYS CB 1.0 . 5.0 292 292 A 106 PHE CA A 95 PHE CA 1.0 . 5.0 293 293 A 95 PHE CA A 112 LEU CDy 1.0 . 5.0 294 294 A 106 PHE CA A 95 PHE CB 1.0 . 5.0 295 295 A 95 PHE CB A 106 PHE CB 1.0 . 5.0 296 296 A 95 PHE CB A 109 SER CA 1.0 . 5.0 297 297 A 95 PHE CB A 112 LEU CB 1.0 . 4.0 298 298 A 95 PHE CB A 112 LEU CDx 1.0 . 5.0 299 299 A 112 LEU CDy A 95 PHE CB 1.0 . 4.0 300 300 A 106 PHE CA A 95 PHE CDx 1.0 . 5.0 301 301 A 106 PHE CB A 95 PHE CDx 1.0 . 5.0 302 302 A 107 ALA CA A 95 PHE CDx 1.0 . 5.0 303 303 A 95 PHE CDx A 108 ARG CA 1.0 . 4.0 304 304 A 109 SER CA A 95 PHE CDx 1.0 . 4.0 305 305 A 95 PHE CDx A 109 SER CB 1.0 . 5.0 306 306 A 107 ALA CA A 95 PHE CEx 1.0 . 5.0 307 307 A 108 ARG CA A 95 PHE CEx 1.0 . 4.0 308 308 A 95 PHE CEx A 108 ARG CB 1.0 . 5.0 309 309 A 109 SER CA A 95 PHE CEx 1.0 . 4.0 310 310 A 109 SER CB A 95 PHE CEx 1.0 . 5.0 311 311 A 109 SER CA A 95 PHE CEy 1.0 . 4.0 312 312 A 109 SER CB A 95 PHE CEy 1.0 . 3.3 313 313 A 109 SER CA A 95 PHE CDy 1.0 . 4.0 314 314 A 109 SER CB A 95 PHE CDy 1.0 . 4.0 315 315 A 112 LEU CDy A 95 PHE CDy 1.0 . 5.0 316 316 A 105 LYS CA A 96 SER CA 1.0 . 4.0 317 317 A 105 LYS CB A 96 SER CA 1.0 . 5.0 318 318 A 112 LEU CDx A 96 SER CA 1.0 . 5.0 319 319 A 112 LEU CDy A 96 SER CA 1.0 . 5.0 320 320 A 105 LYS CA A 96 SER CB 1.0 . 5.0 321 321 A 105 LYS CB A 96 SER CB 1.0 . 5.0 322 322 A 112 LEU CDx A 97 CYS CA 1.0 . 4.0 323 323 A 112 LEU CDy A 97 CYS CA 1.0 . 5.0 324 324 A 97 CYS CA A 116 HIS CE1 1.0 . 4.0 325 325 A 97 CYS CB A 99 TRP CB 1.0 . 5.0 326 326 A 97 CYS CB A 99 TRP CD1 1.0 . 5.0 327 327 A 97 CYS CB A 102 CYS CB 1.0 . 5.0 328 328 A 97 CYS CB A 104 LYS CB 1.0 . 5.0 329 329 A 112 LEU CDx A 97 CYS CB 1.0 . 4.0 330 330 A 97 CYS CB A 115 HIS CD2 1.0 . 4.0 331 331 A 116 HIS CE1 A 97 CYS CB 1.0 . 4.0 332 332 A 116 HIS CE1 A 98 ARG CA 1.0 . 5.0 333 333 A 116 HIS CE1 A 98 ARG CB 1.0 . 5.0 334 334 A 99 TRP CB A 102 CYS CB 1.0 . 5.0 335 335 A 99 TRP CB A 119 HIS CD2 1.0 . 5.0 336 336 A 99 TRP CB A 119 HIS CE1 1.0 . 5.0 337 337 A 99 TRP CD1 A 116 HIS CA 1.0 . 5.0 338 338 A 99 TRP CD1 A 116 HIS CB 1.0 . 5.0 339 339 A 99 TRP CD1 A 116 HIS CD2 1.0 . 5.0 340 340 A 116 HIS CE1 A 99 TRP CD1 1.0 . 4.0 341 341 A 99 TRP CD1 A 119 HIS CB 1.0 . 5.0 342 342 A 99 TRP CD1 A 119 HIS CD2 1.0 . 4.0 343 343 A 119 HIS CB A 99 TRP CD2 1.0 . 4.0 344 344 A 119 HIS CD2 A 99 TRP CD2 1.0 . 4.0 345 345 A 119 HIS CE1 A 99 TRP CD2 1.0 . 5.0 346 346 A 116 HIS CA A 99 TRP CE2 1.0 . 5.0 347 347 A 116 HIS CB A 99 TRP CE2 1.0 . 5.0 348 348 A 99 TRP CE2 A 119 HIS CA 1.0 . 5.0 349 349 A 119 HIS CB A 99 TRP CE2 1.0 . 4.0 350 350 A 119 HIS CD2 A 99 TRP CE2 1.0 . 4.0 351 351 A 102 CYS CB A 119 HIS CD2 1.0 . 5.0 352 352 A 102 CYS CB A 119 HIS CE1 1.0 . 5.0 353 353 A 104 LYS CB A 106 PHE CEy 1.0 . 5.0 354 354 A 104 LYS CB A 115 HIS CD2 1.0 . 5.0 355 355 A 104 LYS CB A 115 HIS CE1 1.0 . 5.0 356 356 A 106 PHE CA A 111 GLU CB 1.0 . 5.0 357 357 A 106 PHE CB A 111 GLU CA 1.0 . 5.0 358 358 A 106 PHE CB A 111 GLU CB 1.0 . 4.0 359 359 A 106 PHE CB A 112 LEU CA 1.0 . 5.0 360 360 A 106 PHE CB A 112 LEU CB 1.0 . 5.0 361 361 A 111 GLU CA A 106 PHE CDx 1.0 . 5.0 362 362 A 111 GLU CB A 106 PHE CDx 1.0 . 4.0 363 363 A 112 LEU CA A 106 PHE CDx 1.0 . 5.0 364 364 A 111 GLU CB A 106 PHE CEx 1.0 . 5.0 365 365 A 106 PHE CEx A 115 HIS CB 1.0 . 5.0 366 366 A 106 PHE CEy A 112 LEU CA 1.0 . 5.0 367 367 A 112 LEU CB A 106 PHE CEy 1.0 . 5.0 368 368 A 112 LEU CDx A 106 PHE CEy 1.0 . 4.0 369 369 A 106 PHE CEy A 115 HIS CB 1.0 . 4.0 370 370 A 115 HIS CD2 A 106 PHE CEy 1.0 . 4.0 371 371 A 106 PHE CEy A 115 HIS CE1 1.0 . 5.0 372 372 A 111 GLU CB A 106 PHE CDy 1.0 . 5.0 373 373 A 112 LEU CA A 106 PHE CDy 1.0 . 4.0 374 374 A 112 LEU CB A 106 PHE CDy 1.0 . 4.0 375 375 A 112 LEU CDx A 106 PHE CDy 1.0 . 4.0 376 376 A 115 HIS CB A 106 PHE CDy 1.0 . 5.0 377 377 A 115 HIS CD2 A 106 PHE CDy 1.0 . 5.0 378 378 A 108 ARG CA A 111 GLU CB 1.0 . 5.0 379 379 A 108 ARG CB A 111 GLU CA 1.0 . 5.0 380 380 A 108 ARG CB A 111 GLU CB 1.0 . 5.0 381 381 A 109 SER CA A 112 LEU CB 1.0 . 5.0 382 382 A 110 ASP CA A 113 VAL CA 1.0 . 5.0 383 383 A 110 ASP CA A 113 VAL CB 1.0 . 4.0 384 384 A 110 ASP CA A 113 VAL CGy 1.0 . 4.0 385 385 A 113 VAL CB A 110 ASP CB 1.0 . 5.0 386 386 A 113 VAL CGy A 110 ASP CB 1.0 . 5.0 387 387 A 111 GLU CA A 114 ARG CB 1.0 . 5.0 388 388 A 112 LEU CA A 115 HIS CA 1.0 . 5.0 389 389 A 112 LEU CA A 115 HIS CB 1.0 . 5.0 390 390 A 112 LEU CDx A 115 HIS CB 1.0 . 5.0 391 391 A 112 LEU CDx A 115 HIS CD2 1.0 . 5.0 392 392 A 112 LEU CDx A 116 HIS CD2 1.0 . 5.0 393 393 A 112 LEU CDx A 116 HIS CE1 1.0 . 4.0 394 394 A 112 LEU CDy A 116 HIS CE1 1.0 . 5.0 395 395 A 116 HIS CB A 113 VAL CA 1.0 . 5.0 396 396 A 116 HIS CD2 A 113 VAL CA 1.0 . 5.0 397 397 A 114 ARG CA A 117 ASN CA 1.0 . 5.0 398 398 A 114 ARG CA A 117 ASN CB 1.0 . 5.0 399 399 A 115 HIS CA A 118 MET CB 1.0 . 5.0 400 400 A 115 HIS CD2 A 119 HIS CD2 1.0 . 4.0 401 401 A 115 HIS CD2 A 119 HIS CE1 1.0 . 5.0 402 402 A 119 HIS CD2 A 115 HIS CE1 1.0 . 5.0 403 403 A 119 HIS CE1 A 115 HIS CE1 1.0 . 5.0 404 404 A 116 HIS CA A 119 HIS CB 1.0 . 5.0 405 405 A 119 HIS CD2 A 116 HIS CA 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 24 LEU H A 20 LYS O 1.0 . 2.0 2 2 A 20 LYS O A 24 LEU N 1.0 . 3.0 3 3 A 25 GLN H A 21 LEU O 1.0 . 2.0 4 4 A 21 LEU O A 25 GLN N 1.0 . 3.0 5 5 A 26 MET H A 22 SER O 1.0 . 2.0 6 6 A 22 SER O A 26 MET N 1.0 . 3.0 7 7 A 27 HIS H A 23 HIS O 1.0 . 2.0 8 8 A 23 HIS O A 27 HIS N 1.0 . 3.0 9 9 A 28 SER H A 24 LEU O 1.0 . 2.0 10 10 A 24 LEU O A 28 SER N 1.0 . 3.0 11 11 A 29 ARG H A 26 MET O 1.0 . 2.0 12 12 A 26 MET O A 29 ARG N 1.0 . 3.0 13 13 A 30 LYS H A 27 HIS O 1.0 . 2.0 14 14 A 27 HIS O A 30 LYS N 1.0 . 3.0 15 15 A 31 HIS H A 28 SER O 1.0 . 2.0 16 16 A 28 SER O A 31 HIS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _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 54 LEU H A 50 ARG O 1.0 . 2.0 2 2 A 50 ARG O A 54 LEU N 1.0 . 3.0 3 3 A 55 LYS H A 51 SER O 1.0 . 2.0 4 4 A 51 SER O A 55 LYS N 1.0 . 3.0 5 5 A 56 ARG H A 52 ASP O 1.0 . 2.0 6 6 A 52 ASP O A 56 ARG N 1.0 . 3.0 7 7 A 57 HIS H A 53 GLN O 1.0 . 2.0 8 8 A 53 GLN O A 57 HIS N 1.0 . 3.0 9 9 A 58 GLN H A 54 LEU O 1.0 . 2.0 10 10 A 54 LEU O A 58 GLN N 1.0 . 3.0 11 11 A 59 ARG H A 56 ARG O 1.0 . 2.0 12 12 A 56 ARG O A 59 ARG N 1.0 . 3.0 13 13 A 60 ARG H A 57 HIS O 1.0 . 2.0 14 14 A 57 HIS O A 60 ARG N 1.0 . 3.0 15 15 A 61 HIS H A 58 GLN O 1.0 . 2.0 16 16 A 58 GLN O A 61 HIS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_9 _nef_distance_restraint_list.restraint_origin hbond _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 112 LEU H A 108 ARG O 1.0 . 2.0 2 2 A 108 ARG O A 112 LEU N 1.0 . 3.0 3 3 A 113 VAL H A 109 SER O 1.0 . 2.0 4 4 A 109 SER O A 113 VAL N 1.0 . 3.0 5 5 A 114 ARG H A 110 ASP O 1.0 . 2.0 6 6 A 110 ASP O A 114 ARG N 1.0 . 3.0 7 7 A 115 HIS H A 111 GLU O 1.0 . 2.0 8 8 A 111 GLU O A 115 HIS N 1.0 . 3.0 9 9 A 116 HIS H A 112 LEU O 1.0 . 2.0 10 10 A 112 LEU O A 116 HIS N 1.0 . 3.0 11 11 A 117 ASN H A 114 ARG O 1.0 . 2.0 12 12 A 114 ARG O A 117 ASN N 1.0 . 3.0 13 13 A 118 MET H A 115 HIS O 1.0 . 2.0 14 14 A 115 HIS O A 118 MET N 1.0 . 3.0 15 15 A 119 HIS H A 116 HIS O 1.0 . 2.0 16 16 A 116 HIS O A 119 HIS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_11 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_11 _nef_distance_restraint_list.restraint_origin hbond _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 18 TYR H A 7 PHE O 1.0 . 1.8 2 2 A 7 PHE O A 18 TYR N 1.0 . 3.0 3 3 A 9 CYS H A 16 LYS O 1.0 . 1.8 4 4 A 16 LYS O A 9 CYS N 1.0 . 2.7 5 5 A 7 PHE H A 18 TYR O 1.0 . 1.8 6 6 A 18 TYR O A 7 PHE N 1.0 . 3.0 7 7 A 24 LEU H A 20 LYS O 1.0 . 1.8 8 8 A 20 LYS O A 24 LEU N 1.0 . 2.7 9 9 A 25 GLN H A 21 LEU O 1.0 . 1.8 10 10 A 21 LEU O A 25 GLN N 1.0 . 2.7 11 11 A 26 MET H A 22 SER O 1.0 . 1.8 12 12 A 22 SER O A 26 MET N 1.0 . 2.7 13 13 A 27 HIS H A 23 HIS O 1.0 . 1.8 14 14 A 23 HIS O A 27 HIS N 1.0 . 2.7 15 15 A 28 SER H A 24 LEU O 1.0 . 1.8 16 16 A 24 LEU O A 28 SER N 1.0 . 2.7 17 17 A 29 ARG H A 26 MET O 1.0 . 1.8 18 18 A 26 MET O A 29 ARG N 1.0 . 2.7 19 19 A 30 LYS H A 27 HIS O 1.0 . 1.8 20 20 A 27 HIS O A 30 LYS N 1.0 . 2.7 21 21 A 31 HIS H A 28 SER O 1.0 . 1.8 22 22 A 28 SER O A 31 HIS N 1.0 . 2.7 23 23 A 48 PHE H A 37 TYR O 1.0 . 1.8 24 24 A 37 TYR O A 48 PHE N 1.0 . 3.0 25 25 A 39 CYS H A 46 ARG O 1.0 . 1.8 26 26 A 46 ARG O A 39 CYS N 1.0 . 2.7 27 27 A 37 TYR H A 48 PHE O 1.0 . 1.8 28 28 A 48 PHE O A 37 TYR N 1.0 . 3.0 29 29 A 54 LEU H A 50 ARG O 1.0 . 1.8 30 30 A 50 ARG O A 54 LEU N 1.0 . 2.7 31 31 A 55 LYS H A 51 SER O 1.0 . 1.8 32 32 A 51 SER O A 55 LYS N 1.0 . 2.7 33 33 A 56 ARG H A 52 ASP O 1.0 . 1.8 34 34 A 52 ASP O A 56 ARG N 1.0 . 2.7 35 35 A 57 HIS H A 53 GLN O 1.0 . 1.8 36 36 A 53 GLN O A 57 HIS N 1.0 . 2.7 37 37 A 58 GLN H A 54 LEU O 1.0 . 1.8 38 38 A 54 LEU O A 58 GLN N 1.0 . 2.7 39 39 A 59 ARG H A 56 ARG O 1.0 . 1.8 40 40 A 56 ARG O A 59 ARG N 1.0 . 2.7 41 41 A 60 ARG H A 57 HIS O 1.0 . 1.8 42 42 A 57 HIS O A 60 ARG N 1.0 . 2.7 43 43 A 61 HIS H A 58 GLN O 1.0 . 1.8 44 44 A 58 GLN O A 61 HIS N 1.0 . 2.7 45 45 A 76 PHE H A 67 PHE O 1.0 . 1.8 46 46 A 67 PHE O A 76 PHE N 1.0 . 3.0 47 47 A 69 CYS H A 74 ARG O 1.0 . 1.8 48 48 A 74 ARG O A 69 CYS N 1.0 . 2.7 49 49 A 67 PHE H A 76 PHE O 1.0 . 1.8 50 50 A 76 PHE O A 67 PHE N 1.0 . 3.0 51 51 A 82 LEU H A 78 ARG O 1.0 . 1.8 52 52 A 78 ARG O A 82 LEU N 1.0 . 2.7 53 53 A 83 LYS H A 79 SER O 1.0 . 1.8 54 54 A 79 SER O A 83 LYS N 1.0 . 2.7 55 55 A 84 THR H A 80 ASP O 1.0 . 1.8 56 56 A 80 ASP O A 84 THR N 1.0 . 2.7 57 57 A 85 HIS H A 81 HIS O 1.0 . 1.8 58 58 A 81 HIS O A 85 HIS N 1.0 . 2.7 59 59 A 86 THR H A 82 LEU O 1.0 . 1.8 60 60 A 82 LEU O A 86 THR N 1.0 . 2.7 61 61 A 87 ARG H A 84 THR O 1.0 . 1.8 62 62 A 84 THR O A 87 ARG N 1.0 . 2.7 63 63 A 88 THR H A 85 HIS O 1.0 . 1.8 64 64 A 85 HIS O A 88 THR N 1.0 . 2.7 65 65 A 89 HIS H A 86 THR O 1.0 . 1.8 66 66 A 86 THR O A 89 HIS N 1.0 . 2.7 67 67 A 106 PHE H A 95 PHE O 1.0 . 1.8 68 68 A 95 PHE O A 106 PHE N 1.0 . 3.0 69 69 A 97 CYS H A 104 LYS O 1.0 . 1.8 70 70 A 104 LYS O A 97 CYS N 1.0 . 2.7 71 71 A 95 PHE H A 106 PHE O 1.0 . 1.8 72 72 A 106 PHE O A 95 PHE N 1.0 . 3.0 73 73 A 112 LEU H A 108 ARG O 1.0 . 1.8 74 74 A 108 ARG O A 112 LEU N 1.0 . 2.7 75 75 A 113 VAL H A 109 SER O 1.0 . 1.8 76 76 A 109 SER O A 113 VAL N 1.0 . 2.7 77 77 A 114 ARG H A 110 ASP O 1.0 . 1.8 78 78 A 110 ASP O A 114 ARG N 1.0 . 2.7 79 79 A 115 HIS H A 111 GLU O 1.0 . 1.8 80 80 A 111 GLU O A 115 HIS N 1.0 . 2.7 81 81 A 116 HIS H A 112 LEU O 1.0 . 1.8 82 82 A 112 LEU O A 116 HIS N 1.0 . 2.7 83 83 A 117 ASN H A 114 ARG O 1.0 . 1.8 84 84 A 114 ARG O A 117 ASN N 1.0 . 2.7 85 85 A 118 MET H A 115 HIS O 1.0 . 1.8 86 86 A 115 HIS O A 118 MET N 1.0 . 2.7 87 87 A 119 HIS H A 116 HIS O 1.0 . 1.8 88 88 A 116 HIS O A 119 HIS N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.restraint_origin hbond _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 82 LEU H A 78 ARG O 1.0 . 2.0 2 2 A 78 ARG O A 82 LEU N 1.0 . 3.0 3 3 A 83 LYS H A 79 SER O 1.0 . 2.0 4 4 A 79 SER O A 83 LYS N 1.0 . 3.0 5 5 A 84 THR H A 80 ASP O 1.0 . 2.0 6 6 A 80 ASP O A 84 THR N 1.0 . 3.0 7 7 A 85 HIS H A 81 HIS O 1.0 . 2.0 8 8 A 81 HIS O A 85 HIS N 1.0 . 3.0 9 9 A 86 THR H A 82 LEU O 1.0 . 2.0 10 10 A 82 LEU O A 86 THR N 1.0 . 3.0 11 11 A 87 ARG H A 84 THR O 1.0 . 2.0 12 12 A 84 THR O A 87 ARG N 1.0 . 3.0 13 13 A 88 THR H A 85 HIS O 1.0 . 2.0 14 14 A 85 HIS O A 88 THR N 1.0 . 3.0 15 15 A 89 HIS H A 86 THR O 1.0 . 2.0 16 16 A 86 THR O A 89 HIS N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_13 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_13 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_DYANA/DIANA_dihedral_12 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_12 _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 7 PHE C A 8 MET N A 8 MET CA A 8 MET C 1.0 -135.8 -81.1 PHI 2 2 A 8 MET N A 8 MET CA A 8 MET C A 9 CYS N 1.0 118.6 158.6 PSI 3 3 A 16 LYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -149.8 -98.8 PHI 4 4 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 TYR N 1.0 127.5 167.0 PSI 5 5 A 17 ARG C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -144.8 -91.0 PHI 6 6 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 PHE N 1.0 148.1 170.0 PSI 7 7 A 21 LEU C A 22 SER N A 22 SER CA A 22 SER C 1.0 -67.8 -52.6 PHI 8 8 A 22 SER N A 22 SER CA A 22 SER C A 23 HIS N 1.0 -45.9 -36.1 PSI 9 9 A 22 SER C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -78.5 -58.6 PHI 10 10 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 LEU N 1.0 -50.0 -29.5 PSI 11 11 A 23 HIS C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -73.0 -61.7 PHI 12 12 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLN N 1.0 -45.6 -32.5 PSI 13 13 A 24 LEU C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -71.5 -58.3 PHI 14 14 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 MET N 1.0 -48.5 -38.7 PSI 15 15 A 25 GLN C A 26 MET N A 26 MET CA A 26 MET C 1.0 -68.0 -55.1 PHI 16 16 A 26 MET N A 26 MET CA A 26 MET C A 27 HIS N 1.0 -49.7 -35.5 PSI 17 17 A 26 MET C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -72.4 -58.4 PHI 18 18 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 SER N 1.0 -45.3 -34.2 PSI 19 19 A 27 HIS C A 28 SER N A 28 SER CA A 28 SER C 1.0 -69.1 -59.7 PHI 20 20 A 28 SER N A 28 SER CA A 28 SER C A 29 ARG N 1.0 -47.6 -35.4 PSI 21 21 A 28 SER C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -65.3 -56.1 PHI 22 22 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 LYS N 1.0 -47.8 -38.8 PSI 23 23 A 29 ARG C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -71.8 -56.5 PHI 24 24 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 HIS N 1.0 -47.4 -23.6 PSI 25 25 A 30 LYS C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -89.6 -52.2 PHI 26 26 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 THR N 1.0 -42.6 -21.6 PSI 27 27 A 37 TYR C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -132.3 -88.1 PHI 28 28 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 CYS N 1.0 116.7 157.8 PSI 29 29 A 46 ARG C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -142.6 -89.2 PHI 30 30 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 PHE N 1.0 128.2 171.7 PSI 31 31 A 47 ARG C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -140.3 -111.3 PHI 32 32 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 SER N 1.0 139.5 164.6 PSI 33 33 A 50 ARG C A 51 SER N A 51 SER CA A 51 SER C 1.0 -75.1 -53.0 PHI 34 34 A 51 SER N A 51 SER CA A 51 SER C A 52 ASP N 1.0 -44.5 -19.2 PSI 35 35 A 51 SER C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -69.3 -55.6 PHI 36 36 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 GLN N 1.0 -42.6 -34.1 PSI 37 37 A 52 ASP C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -73.1 -61.5 PHI 38 38 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 LEU N 1.0 -50.9 -29.5 PSI 39 39 A 53 GLN C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -71.6 -58.5 PHI 40 40 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 LYS N 1.0 -50.1 -32.7 PSI 41 41 A 54 LEU C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -65.6 -54.5 PHI 42 42 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ARG N 1.0 -47.1 -32.5 PSI 43 43 A 55 LYS C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -75.0 -56.6 PHI 44 44 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 HIS N 1.0 -47.4 -27.9 PSI 45 45 A 56 ARG C A 57 HIS N A 57 HIS CA A 57 HIS C 1.0 -71.2 -61.0 PHI 46 46 A 57 HIS N A 57 HIS CA A 57 HIS C A 58 GLN N 1.0 -50.7 -36.9 PSI 47 47 A 57 HIS C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -68.3 -53.5 PHI 48 48 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 ARG N 1.0 -50.8 -38.9 PSI 49 49 A 58 GLN C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -67.0 -55.5 PHI 50 50 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 ARG N 1.0 -50.6 -33.5 PSI 51 51 A 59 ARG C A 60 ARG N A 60 ARG CA A 60 ARG C 1.0 -69.3 -55.8 PHI 52 52 A 60 ARG N A 60 ARG CA A 60 ARG C A 61 HIS N 1.0 -49.4 -31.9 PSI 53 53 A 67 PHE C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -123.8 -91.2 PHI 54 54 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 CYS N 1.0 113.6 141.3 PSI 55 55 A 74 ARG C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -138.7 -88.0 PHI 56 56 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 PHE N 1.0 122.6 155.2 PSI 57 57 A 75 LYS C A 76 PHE N A 76 PHE CA A 76 PHE C 1.0 -157.4 -114.1 PHI 58 58 A 76 PHE N A 76 PHE CA A 76 PHE C A 77 SER N 1.0 137.1 169.5 PSI 59 59 A 79 SER C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -70.5 -57.5 PHI 60 60 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 HIS N 1.0 -46.2 -35.0 PSI 61 61 A 80 ASP C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -87.1 -59.9 PHI 62 62 A 81 HIS N A 81 HIS CA A 81 HIS C A 82 LEU N 1.0 -47.4 -4.2 PSI 63 63 A 81 HIS C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -68.1 -55.0 PHI 64 64 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 LYS N 1.0 -47.6 -36.9 PSI 65 65 A 82 LEU C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -65.7 -57.9 PHI 66 66 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 THR N 1.0 -48.5 -34.4 PSI 67 67 A 83 LYS C A 84 THR N A 84 THR CA A 84 THR C 1.0 -74.1 -55.0 PHI 68 68 A 84 THR N A 84 THR CA A 84 THR C A 85 HIS N 1.0 -49.0 -31.7 PSI 69 69 A 84 THR C A 85 HIS N A 85 HIS CA A 85 HIS C 1.0 -76.6 -60.7 PHI 70 70 A 85 HIS N A 85 HIS CA A 85 HIS C A 86 THR N 1.0 -48.9 -29.5 PSI 71 71 A 85 HIS C A 86 THR N A 86 THR CA A 86 THR C 1.0 -68.4 -54.4 PHI 72 72 A 86 THR N A 86 THR CA A 86 THR C A 87 ARG N 1.0 -48.9 -41.7 PSI 73 73 A 86 THR C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -71.8 -62.3 PHI 74 74 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 THR N 1.0 -41.7 -23.2 PSI 75 75 A 87 ARG C A 88 THR N A 88 THR CA A 88 THR C 1.0 -83.6 -54.6 PHI 76 76 A 88 THR N A 88 THR CA A 88 THR C A 89 HIS N 1.0 -48.7 -21.5 PSI 77 77 A 88 THR C A 89 HIS N A 89 HIS CA A 89 HIS C 1.0 -94.7 -63.2 PHI 78 78 A 89 HIS N A 89 HIS CA A 89 HIS C A 90 THR N 1.0 -39.2 -18.7 PSI 79 79 A 89 HIS C A 90 THR N A 90 THR CA A 90 THR C 1.0 -116.5 -91.9 PHI 80 80 A 90 THR N A 90 THR CA A 90 THR C A 91 GLY N 1.0 -5.8 24.1 PSI 81 81 A 95 PHE C A 96 SER N A 96 SER CA A 96 SER C 1.0 -133.9 -78.9 PHI 82 82 A 96 SER N A 96 SER CA A 96 SER C A 97 CYS N 1.0 120.8 145.9 PSI 83 83 A 104 LYS C A 105 LYS N A 105 LYS CA A 105 LYS C 1.0 -128.4 -96.4 PHI 84 84 A 105 LYS N A 105 LYS CA A 105 LYS C A 106 PHE N 1.0 126.7 175.8 PSI 85 85 A 105 LYS C A 106 PHE N A 106 PHE CA A 106 PHE C 1.0 -148.3 -112.6 PHI 86 86 A 106 PHE N A 106 PHE CA A 106 PHE C A 107 ALA N 1.0 144.1 167.2 PSI 87 87 A 108 ARG C A 109 SER N A 109 SER CA A 109 SER C 1.0 -65.3 -57.2 PHI 88 88 A 109 SER N A 109 SER CA A 109 SER C A 110 ASP N 1.0 -50.2 -38.5 PSI 89 89 A 109 SER C A 110 ASP N A 110 ASP CA A 110 ASP C 1.0 -67.2 -52.9 PHI 90 90 A 110 ASP N A 110 ASP CA A 110 ASP C A 111 GLU N 1.0 -48.9 -34.0 PSI 91 91 A 110 ASP C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -71.6 -60.8 PHI 92 92 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 LEU N 1.0 -49.0 -38.1 PSI 93 93 A 111 GLU C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -71.8 -54.0 PHI 94 94 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 VAL N 1.0 -50.3 -35.6 PSI 95 95 A 112 LEU C A 113 VAL N A 113 VAL CA A 113 VAL C 1.0 -66.5 -58.3 PHI 96 96 A 113 VAL N A 113 VAL CA A 113 VAL C A 114 ARG N 1.0 -47.4 -41.6 PSI 97 97 A 113 VAL C A 114 ARG N A 114 ARG CA A 114 ARG C 1.0 -69.4 -58.1 PHI 98 98 A 114 ARG N A 114 ARG CA A 114 ARG C A 115 HIS N 1.0 -46.4 -34.0 PSI 99 99 A 114 ARG C A 115 HIS N A 115 HIS CA A 115 HIS C 1.0 -71.0 -54.5 PHI 100 100 A 115 HIS N A 115 HIS CA A 115 HIS C A 116 HIS N 1.0 -51.2 -31.7 PSI 101 101 A 115 HIS C A 116 HIS N A 116 HIS CA A 116 HIS C 1.0 -69.2 -56.7 PHI 102 102 A 116 HIS N A 116 HIS CA A 116 HIS C A 117 ASN N 1.0 -47.4 -33.8 PSI 103 103 A 116 HIS C A 117 ASN N A 117 ASN CA A 117 ASN C 1.0 -78.2 -57.7 PHI 104 104 A 117 ASN N A 117 ASN CA A 117 ASN C A 118 MET N 1.0 -31.8 -15.7 PSI stop_ save_