data_nef_c30594_6oc2 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 6OC2 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 5 SER C 1 6 ORN N 1 6 ORN CD 1 10 ASN ND2 1 6 ORN C 1 7 PHE 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 GLU start . . 2 A 2 MET middle . . 3 A 3 ARG middle . . 4 A 4 LEU middle . . 5 A 5 SER middle -OXT . 6 A 6 ORN middle -H2,-OXT . 7 A 7 PHE middle -H2 . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 ASN middle . . 11 A 11 PHE middle . . 12 A 12 ILE middle . . 13 A 13 LEU middle . . 14 A 14 GLN middle . . 15 A 15 ARG middle . . 16 A 16 LYS middle . . 17 A 17 LYS 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 MET HA H 1 4.573 0.00 A 2 MET HBx H 1 2.130 0.00 A 2 MET HGy H 1 2.648 0.00 A 2 MET HGx H 1 2.628 0.01 A 2 MET CA C 13 55.873 0.00 A 3 ARG H H 1 8.855 0.00 A 3 ARG HA H 1 4.403 0.00 A 3 ARG HBy H 1 1.876 0.00 A 3 ARG HBx H 1 1.711 0.00 A 3 ARG HDx H 1 3.245 0.00 A 3 ARG HGx H 1 1.656 0.00 A 3 ARG CA C 13 56.923 0.00 A 3 ARG N N 15 123.869 0.00 A 4 LEU H H 1 8.716 0.00 A 4 LEU HA H 1 4.298 0.00 A 4 LEU HBy H 1 1.819 0.00 A 4 LEU HBx H 1 1.725 0.00 A 4 LEU HDx% H 1 0.996 0.00 A 4 LEU HDy% H 1 0.944 0.00 A 4 LEU CA C 13 56.909 0.00 A 4 LEU CB C 13 42.219 0.00 A 4 LEU N N 15 120.743 0.00 A 5 SER H H 1 8.237 0.00 A 5 SER HA H 1 4.214 0.00 A 5 SER HBy H 1 3.979 0.00 A 5 SER HBx H 1 3.918 0.00 A 5 SER CA C 13 61.529 0.00 A 5 SER CB C 13 62.997 0.00 A 5 SER N N 15 113.523 0.00 A 6 ORN H H 1 7.859 0.00 A 6 ORN HA H 1 4.092 0.00 A 6 ORN HBy H 1 1.692 0.00 A 6 ORN HBx H 1 1.618 0.00 A 6 ORN HDx H 1 2.859 0.01 A 6 ORN HGy H 1 1.440 0.00 A 6 ORN HGx H 1 1.399 0.00 A 6 ORN CA C 13 57.370 0.00 A 6 ORN N N 15 119.246 0.00 A 7 PHE H H 1 7.778 0.00 A 7 PHE HA H 1 4.417 0.00 A 7 PHE HBy H 1 2.953 0.00 A 7 PHE HBx H 1 2.835 0.00 A 7 PHE HDy H 1 7.113 0.00 A 7 PHE HEy H 1 7.245 0.00 A 7 PHE HZ H 1 7.205 0.00 A 7 PHE CA C 13 59.141 0.00 A 7 PHE N N 15 117.221 0.00 A 8 PHE H H 1 7.705 0.00 A 8 PHE HA H 1 4.212 0.00 A 8 PHE HBy H 1 3.160 0.00 A 8 PHE HBx H 1 2.910 0.00 A 8 PHE HEy H 1 7.248 0.00 A 8 PHE HZ H 1 7.208 0.00 A 8 PHE N N 15 116.248 0.00 A 9 ARG H H 1 8.093 0.00 A 9 ARG HA H 1 4.389 0.00 A 9 ARG HBy H 1 1.838 0.00 A 9 ARG HBx H 1 1.707 0.00 A 9 ARG HDx H 1 3.180 0.00 A 9 ARG HGy H 1 1.605 0.00 A 9 ARG HGx H 1 1.559 0.00 A 9 ARG CA C 13 55.401 0.00 A 9 ARG N N 15 118.738 0.00 A 11 PHE H H 1 7.574 0.00 A 11 PHE HA H 1 4.613 0.00 A 11 PHE HBy H 1 3.199 0.00 A 11 PHE HBx H 1 2.973 0.00 A 12 ILE H H 1 7.985 0.00 A 12 ILE HA H 1 4.236 0.00 A 12 ILE HB H 1 1.918 0.00 A 12 ILE HD1% H 1 0.821 0.00 A 12 ILE HG1y H 1 1.387 0.00 A 12 ILE HG1x H 1 1.022 0.00 A 12 ILE HG2% H 1 0.857 0.00 A 12 ILE CA C 13 61.718 0.00 A 13 LEU H H 1 8.429 0.00 A 13 LEU HA H 1 4.365 0.00 A 13 LEU HBy H 1 1.662 0.00 A 13 LEU HBx H 1 1.612 0.00 A 13 LEU HDx% H 1 0.897 0.00 A 13 LEU HDy% H 1 0.841 0.00 A 13 LEU CA C 13 55.834 0.00 A 13 LEU CB C 13 42.215 0.00 A 13 LEU N N 15 123.798 0.00 A 14 GLN H H 1 8.206 0.00 A 14 GLN HA H 1 4.351 0.00 A 14 GLN HBy H 1 2.021 0.00 A 14 GLN HBx H 1 1.908 0.00 A 14 GLN HGx H 1 2.258 0.01 A 14 GLN CA C 13 55.596 0.00 A 14 GLN CB C 13 29.926 0.00 A 14 GLN N N 15 120.833 0.00 A 15 ARG H H 1 8.419 0.00 A 15 ARG HA H 1 4.368 0.00 A 15 ARG HBy H 1 1.858 0.00 A 15 ARG HBx H 1 1.734 0.00 A 15 ARG HDx H 1 3.179 0.00 A 15 ARG HE H 1 7.478 0.02 A 15 ARG CA C 13 55.053 0.00 A 15 ARG N N 15 122.825 0.00 A 16 LYS H H 1 8.448 0.00 A 16 LYS HA H 1 4.266 0.00 A 16 LYS HBy H 1 1.818 0.00 A 16 LYS HBx H 1 1.713 0.00 A 16 LYS HEx H 1 3.184 0.00 A 16 LYS HGx H 1 1.416 0.00 A 16 LYS CA C 13 56.497 0.00 A 16 LYS CB C 13 33.190 0.00 A 16 LYS N N 15 123.412 0.00 A 17 LYS H H 1 7.996 0.00 A 17 LYS HA H 1 4.108 0.00 A 17 LYS HBy H 1 1.784 0.00 A 17 LYS HBx H 1 1.700 0.00 A 17 LYS HEx H 1 2.968 0.00 A 17 LYS HGx H 1 1.386 0.00 A 17 LYS CA C 13 57.888 0.00 A 17 LYS CB C 13 33.726 0.00 A 17 LYS N N 15 128.487 0.00 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 MET HA A 2 MET HBx 1.0 1.6 3.4 2 1 A 2 MET HA A 2 MET HBy 1.0 1.6 3.4 3 2 A 2 MET HA A 2 MET HGy 1.0 1.9 3.9 4 2 A 2 MET HA A 2 MET HGx 1.0 1.9 3.9 5 3 A 2 MET HA A 2 MET HGy 1.0 1.7 3.5 6 3 A 2 MET HA A 2 MET HGx 1.0 1.7 3.5 7 4 A 2 MET HBx A 2 MET HGx 1.0 1.7 3.5 8 4 A 2 MET HBx A 2 MET HGy 1.0 1.7 3.5 9 4 A 2 MET HBy A 2 MET HGy 1.0 1.7 3.5 10 4 A 2 MET HBy A 2 MET HGx 1.0 1.7 3.5 11 5 A 2 MET HBx A 2 MET HGx 1.0 1.6 3.4 12 5 A 2 MET HBx A 2 MET HGy 1.0 1.6 3.4 13 5 A 2 MET HBy A 2 MET HGy 1.0 1.6 3.4 14 5 A 2 MET HBy A 2 MET HGx 1.0 1.6 3.4 15 6 A 2 MET HA A 3 ARG HA 1.0 2.0 4.2 16 7 A 2 MET HA A 3 ARG HBy 1.0 1.8 3.8 17 7 A 2 MET HA A 3 ARG HBx 1.0 1.8 3.8 18 8 A 2 MET HA A 3 ARG HBy 1.0 1.9 3.9 19 8 A 2 MET HA A 3 ARG HBx 1.0 1.9 3.9 20 9 A 2 MET HA A 3 ARG H 1.0 1.8 3.8 21 10 A 2 MET HBx A 3 ARG HA 1.0 1.7 3.5 22 10 A 2 MET HBy A 3 ARG HA 1.0 1.7 3.5 23 11 A 2 MET HBx A 3 ARG H 1.0 1.9 3.9 24 11 A 2 MET HBy A 3 ARG H 1.0 1.9 3.9 25 12 A 2 MET HBx A 4 LEU HDx% 1.0 1.6 3.4 26 12 A 2 MET HBx A 4 LEU HDy% 1.0 1.6 3.4 27 12 A 2 MET HBy A 4 LEU HDy% 1.0 1.6 3.4 28 12 A 2 MET HBy A 4 LEU HDx% 1.0 1.6 3.4 29 13 A 2 MET HBx A 4 LEU HDx% 1.0 1.6 3.4 30 13 A 2 MET HBx A 4 LEU HDy% 1.0 1.6 3.4 31 13 A 2 MET HBy A 4 LEU HDy% 1.0 1.6 3.4 32 13 A 2 MET HBy A 4 LEU HDx% 1.0 1.6 3.4 33 14 A 2 MET HBx A 4 LEU H 1.0 1.6 3.4 34 14 A 2 MET HBy A 4 LEU H 1.0 1.6 3.4 35 15 A 2 MET HGy A 4 LEU HDx% 1.0 1.8 3.8 36 15 A 2 MET HGy A 4 LEU HDy% 1.0 1.8 3.8 37 15 A 2 MET HGx A 4 LEU HDy% 1.0 1.8 3.8 38 15 A 2 MET HGx A 4 LEU HDx% 1.0 1.8 3.8 39 16 A 2 MET HBx A 5 SER HBy 1.0 2.1 4.3 40 16 A 2 MET HBx A 5 SER HBx 1.0 2.1 4.3 41 16 A 2 MET HBy A 5 SER HBy 1.0 2.1 4.3 42 16 A 2 MET HBy A 5 SER HBx 1.0 2.1 4.3 43 17 A 2 MET HBx A 5 SER HBy 1.0 2.1 4.3 44 17 A 2 MET HBx A 5 SER HBx 1.0 2.1 4.3 45 17 A 2 MET HBy A 5 SER HBy 1.0 2.1 4.3 46 17 A 2 MET HBy A 5 SER HBx 1.0 2.1 4.3 47 18 A 2 MET HBx A 5 SER H 1.0 1.8 3.6 48 18 A 2 MET HBy A 5 SER H 1.0 1.8 3.6 49 19 A 3 ARG HA A 3 ARG HBy 1.0 1.4 3.0 50 19 A 3 ARG HA A 3 ARG HBx 1.0 1.4 3.0 51 20 A 3 ARG HA A 3 ARG HDx 1.0 1.8 3.8 52 20 A 3 ARG HA A 3 ARG HDy 1.0 1.8 3.8 53 21 A 3 ARG HA A 3 ARG HGx 1.0 1.4 3.0 54 21 A 3 ARG HA A 3 ARG HGy 1.0 1.4 3.0 55 22 A 3 ARG HA A 3 ARG H 1.0 1.9 3.9 56 23 A 3 ARG HBx A 3 ARG HDx 1.0 1.6 3.4 57 23 A 3 ARG HBy A 3 ARG HDx 1.0 1.6 3.4 58 23 A 3 ARG HBy A 3 ARG HDy 1.0 1.6 3.4 59 23 A 3 ARG HBx A 3 ARG HDy 1.0 1.6 3.4 60 24 A 3 ARG HBy A 3 ARG H 1.0 1.8 3.6 61 24 A 3 ARG HBx A 3 ARG H 1.0 1.8 3.6 62 25 A 3 ARG HBx A 3 ARG HDx 1.0 1.6 3.4 63 25 A 3 ARG HBy A 3 ARG HDx 1.0 1.6 3.4 64 25 A 3 ARG HBy A 3 ARG HDy 1.0 1.6 3.4 65 25 A 3 ARG HBx A 3 ARG HDy 1.0 1.6 3.4 66 26 A 3 ARG HBy A 3 ARG H 1.0 2.0 4.0 67 26 A 3 ARG HBx A 3 ARG H 1.0 2.0 4.0 68 27 A 3 ARG HDx A 3 ARG HGx 1.0 1.6 3.2 69 27 A 3 ARG HDy A 3 ARG HGx 1.0 1.6 3.2 70 27 A 3 ARG HGy A 3 ARG HDx 1.0 1.6 3.2 71 27 A 3 ARG HDy A 3 ARG HGy 1.0 1.6 3.2 72 28 A 3 ARG H A 3 ARG HGx 1.0 2.0 4.0 73 28 A 3 ARG H A 3 ARG HGy 1.0 2.0 4.0 74 29 A 3 ARG HA A 4 LEU HA 1.0 2.0 4.2 75 30 A 3 ARG HA A 4 LEU HDy% 1.0 2.0 4.2 76 30 A 3 ARG HA A 4 LEU HDx% 1.0 2.0 4.2 77 31 A 3 ARG HA A 4 LEU HDy% 1.0 1.9 3.9 78 31 A 3 ARG HA A 4 LEU HDx% 1.0 1.9 3.9 79 32 A 3 ARG HA A 4 LEU H 1.0 1.6 3.4 80 33 A 3 ARG HBy A 4 LEU H 1.0 1.7 3.5 81 33 A 3 ARG HBx A 4 LEU H 1.0 1.7 3.5 82 34 A 4 LEU H A 3 ARG HGx 1.0 1.5 3.1 83 34 A 4 LEU H A 3 ARG HGy 1.0 1.5 3.1 84 35 A 3 ARG H A 4 LEU H 1.0 2.0 4.2 85 36 A 3 ARG HA A 5 SER H 1.0 1.8 3.8 86 37 A 3 ARG HBy A 5 SER H 1.0 1.8 3.8 87 37 A 3 ARG HBx A 5 SER H 1.0 1.8 3.8 88 38 A 4 LEU HA A 4 LEU HBy 1.0 1.4 3.0 89 38 A 4 LEU HA A 4 LEU HBx 1.0 1.4 3.0 90 39 A 4 LEU HA A 4 LEU HBy 1.0 1.4 3.0 91 39 A 4 LEU HA A 4 LEU HBx 1.0 1.4 3.0 92 40 A 4 LEU H A 4 LEU HA 1.0 1.7 3.5 93 41 A 4 LEU HDy% A 4 LEU HBy 1.0 1.6 3.2 94 41 A 4 LEU HDx% A 4 LEU HBy 1.0 1.6 3.2 95 41 A 4 LEU HDy% A 4 LEU HBx 1.0 1.6 3.2 96 41 A 4 LEU HDx% A 4 LEU HBx 1.0 1.6 3.2 97 42 A 4 LEU HDy% A 4 LEU HBy 1.0 1.6 3.2 98 42 A 4 LEU HDx% A 4 LEU HBy 1.0 1.6 3.2 99 42 A 4 LEU HDy% A 4 LEU HBx 1.0 1.6 3.2 100 42 A 4 LEU HDx% A 4 LEU HBx 1.0 1.6 3.2 101 43 A 4 LEU H A 4 LEU HBy 1.0 1.6 3.4 102 43 A 4 LEU H A 4 LEU HBx 1.0 1.6 3.4 103 44 A 4 LEU HDy% A 4 LEU HBy 1.0 1.6 3.4 104 44 A 4 LEU HDx% A 4 LEU HBy 1.0 1.6 3.4 105 44 A 4 LEU HDy% A 4 LEU HBx 1.0 1.6 3.4 106 44 A 4 LEU HDx% A 4 LEU HBx 1.0 1.6 3.4 107 45 A 4 LEU HDy% A 4 LEU HBy 1.0 1.6 3.4 108 45 A 4 LEU HDx% A 4 LEU HBy 1.0 1.6 3.4 109 45 A 4 LEU HDy% A 4 LEU HBx 1.0 1.6 3.4 110 45 A 4 LEU HDx% A 4 LEU HBx 1.0 1.6 3.4 111 46 A 4 LEU H A 4 LEU HBy 1.0 1.7 3.5 112 46 A 4 LEU H A 4 LEU HBx 1.0 1.7 3.5 113 47 A 4 LEU HDy% A 4 LEU H 1.0 1.8 3.6 114 47 A 4 LEU HDx% A 4 LEU H 1.0 1.8 3.6 115 48 A 4 LEU HDy% A 4 LEU H 1.0 1.8 3.6 116 48 A 4 LEU HDx% A 4 LEU H 1.0 1.8 3.6 117 49 A 5 SER H A 4 LEU HA 1.0 1.7 3.5 118 50 A 4 LEU HBy A 5 SER HA 1.0 1.9 3.9 119 50 A 4 LEU HBx A 5 SER HA 1.0 1.9 3.9 120 51 A 5 SER H A 4 LEU HBy 1.0 1.7 3.5 121 51 A 5 SER H A 4 LEU HBx 1.0 1.7 3.5 122 52 A 4 LEU HBy A 5 SER HA 1.0 2.6 5.4 123 52 A 4 LEU HBx A 5 SER HA 1.0 2.6 5.4 124 53 A 5 SER H A 4 LEU HBy 1.0 1.8 3.8 125 53 A 5 SER H A 4 LEU HBx 1.0 1.8 3.8 126 54 A 4 LEU HDy% A 5 SER H 1.0 2.0 4.0 127 54 A 4 LEU HDx% A 5 SER H 1.0 2.0 4.0 128 55 A 4 LEU HDy% A 5 SER H 1.0 1.9 3.9 129 55 A 4 LEU HDx% A 5 SER H 1.0 1.9 3.9 130 56 A 4 LEU H A 5 SER HA 1.0 2.1 4.5 131 57 A 4 LEU H A 5 SER H 1.0 1.7 3.5 132 58 A 4 LEU HA A 7 PHE HBy 1.0 2.0 4.0 133 58 A 4 LEU HA A 7 PHE HBx 1.0 2.0 4.0 134 59 A 4 LEU HA A 7 PHE HBy 1.0 1.9 3.9 135 59 A 4 LEU HA A 7 PHE HBx 1.0 1.9 3.9 136 60 A 4 LEU HA A 7 PHE HD% 1.0 1.9 3.9 137 61 A 4 LEU HA A 7 PHE H 1.0 1.7 3.5 138 62 A 4 LEU HBy A 7 PHE HD% 1.0 2.0 4.0 139 62 A 4 LEU HBx A 7 PHE HD% 1.0 2.0 4.0 140 63 A 4 LEU HBy A 7 PHE HD% 1.0 1.6 3.4 141 63 A 4 LEU HBx A 7 PHE HD% 1.0 1.6 3.4 142 64 A 4 LEU HBy A 7 PHE HE% 1.0 2.3 4.9 143 64 A 4 LEU HBx A 7 PHE HE% 1.0 2.3 4.9 144 65 A 4 LEU HDy% A 7 PHE HD% 1.0 1.9 4.1 145 65 A 4 LEU HDx% A 7 PHE HD% 1.0 1.9 4.1 146 66 A 4 LEU HDy% A 7 PHE HE% 1.0 1.9 3.9 147 66 A 4 LEU HDx% A 7 PHE HE% 1.0 1.9 3.9 148 67 A 4 LEU HDy% A 7 PHE HBx 1.0 2.0 4.0 149 67 A 4 LEU HDx% A 7 PHE HBy 1.0 2.0 4.0 150 67 A 4 LEU HDx% A 7 PHE HBx 1.0 2.0 4.0 151 67 A 4 LEU HDy% A 7 PHE HBy 1.0 2.0 4.0 152 68 A 4 LEU HDy% A 7 PHE HBx 1.0 2.0 4.2 153 68 A 4 LEU HDx% A 7 PHE HBy 1.0 2.0 4.2 154 68 A 4 LEU HDx% A 7 PHE HBx 1.0 2.0 4.2 155 68 A 4 LEU HDy% A 7 PHE HBy 1.0 2.0 4.2 156 69 A 4 LEU HDy% A 7 PHE HD% 1.0 1.8 3.8 157 69 A 4 LEU HDx% A 7 PHE HD% 1.0 1.8 3.8 158 70 A 4 LEU HDy% A 7 PHE HE% 1.0 1.8 3.6 159 70 A 4 LEU HDx% A 7 PHE HE% 1.0 1.8 3.6 160 71 A 4 LEU HDy% A 7 PHE HZ 1.0 2.0 4.0 161 71 A 4 LEU HDx% A 7 PHE HZ 1.0 2.0 4.0 162 72 A 4 LEU HA A 8 PHE HZ 1.0 2.1 4.3 163 73 A 4 LEU HBy A 8 PHE HE% 1.0 1.9 3.9 164 73 A 4 LEU HBx A 8 PHE HE% 1.0 1.9 3.9 165 74 A 4 LEU HBy A 8 PHE H 1.0 2.0 4.2 166 74 A 4 LEU HBx A 8 PHE H 1.0 2.0 4.2 167 75 A 4 LEU HBy A 8 PHE HZ 1.0 2.0 4.2 168 75 A 4 LEU HBx A 8 PHE HZ 1.0 2.0 4.2 169 76 A 4 LEU HBy A 8 PHE HE% 1.0 1.7 3.5 170 76 A 4 LEU HBx A 8 PHE HE% 1.0 1.7 3.5 171 77 A 4 LEU HBy A 8 PHE HZ 1.0 1.9 4.1 172 77 A 4 LEU HBx A 8 PHE HZ 1.0 1.9 4.1 173 78 A 4 LEU HDy% A 8 PHE HE% 1.0 1.8 3.8 174 78 A 4 LEU HDx% A 8 PHE HE% 1.0 1.8 3.8 175 79 A 4 LEU HDy% A 8 PHE HZ 1.0 2.0 4.0 176 79 A 4 LEU HDx% A 8 PHE HZ 1.0 2.0 4.0 177 80 A 4 LEU HDy% A 8 PHE HE% 1.0 1.8 3.8 178 80 A 4 LEU HDx% A 8 PHE HE% 1.0 1.8 3.8 179 81 A 4 LEU HDy% A 8 PHE HZ 1.0 2.0 4.2 180 81 A 4 LEU HDx% A 8 PHE HZ 1.0 2.0 4.2 181 82 A 4 LEU HDx% A 9 ARG HDx 1.0 2.0 4.2 182 82 A 4 LEU HDy% A 9 ARG HDx 1.0 2.0 4.2 183 82 A 4 LEU HDy% A 9 ARG HDy 1.0 2.0 4.2 184 82 A 4 LEU HDx% A 9 ARG HDy 1.0 2.0 4.2 185 83 A 5 SER H A 5 SER HA 1.0 1.8 3.6 186 84 A 5 SER HBy A 5 SER H 1.0 1.7 3.5 187 84 A 5 SER HBx A 5 SER H 1.0 1.7 3.5 188 85 A 5 SER HBy A 5 SER H 1.0 1.7 3.5 189 85 A 5 SER HBx A 5 SER H 1.0 1.7 3.5 190 86 A 5 SER HA A 7 PHE HD% 1.0 2.1 4.5 191 87 A 5 SER H A 7 PHE HD% 1.0 2.2 4.6 192 88 A 5 SER H A 7 PHE HE% 1.0 2.0 4.2 193 89 A 7 PHE HBy A 7 PHE HA 1.0 1.7 3.5 194 89 A 7 PHE HBx A 7 PHE HA 1.0 1.7 3.5 195 90 A 7 PHE HBy A 7 PHE HA 1.0 1.6 3.4 196 90 A 7 PHE HBx A 7 PHE HA 1.0 1.6 3.4 197 91 A 7 PHE HD% A 7 PHE HA 1.0 1.7 3.5 198 92 A 7 PHE H A 7 PHE HA 1.0 1.7 3.5 199 93 A 7 PHE HBy A 7 PHE HD% 1.0 1.8 3.8 200 93 A 7 PHE HBx A 7 PHE HD% 1.0 1.8 3.8 201 94 A 7 PHE HBy A 7 PHE HE% 1.0 1.5 3.5 202 94 A 7 PHE HBx A 7 PHE HE% 1.0 1.5 3.5 203 95 A 7 PHE HBy A 7 PHE H 1.0 1.7 3.5 204 95 A 7 PHE HBx A 7 PHE H 1.0 1.7 3.5 205 96 A 7 PHE HBy A 7 PHE HZ 1.0 2.1 4.7 206 96 A 7 PHE HBx A 7 PHE HZ 1.0 2.1 4.7 207 97 A 7 PHE HBy A 7 PHE HD% 1.0 1.7 3.5 208 97 A 7 PHE HBx A 7 PHE HD% 1.0 1.7 3.5 209 98 A 7 PHE HBy A 7 PHE HE% 1.0 1.8 3.6 210 98 A 7 PHE HBx A 7 PHE HE% 1.0 1.8 3.6 211 99 A 7 PHE HBy A 7 PHE H 1.0 1.6 3.4 212 99 A 7 PHE HBx A 7 PHE H 1.0 1.6 3.4 213 100 A 7 PHE HBy A 7 PHE HZ 1.0 2.0 4.6 214 100 A 7 PHE HBx A 7 PHE HZ 1.0 2.0 4.6 215 101 A 7 PHE HD% A 7 PHE H 1.0 1.8 3.6 216 102 A 7 PHE H A 7 PHE HE% 1.0 1.9 3.9 217 103 A 8 PHE H A 7 PHE HA 1.0 1.8 3.8 218 104 A 8 PHE HZ A 7 PHE HA 1.0 2.1 4.5 219 105 A 7 PHE HBy A 8 PHE H 1.0 1.8 3.8 220 105 A 7 PHE HBx A 8 PHE H 1.0 1.8 3.8 221 106 A 7 PHE HBy A 8 PHE H 1.0 1.9 3.9 222 106 A 7 PHE HBx A 8 PHE H 1.0 1.9 3.9 223 107 A 7 PHE HD% A 8 PHE H 1.0 1.9 3.9 224 108 A 7 PHE H A 8 PHE HA 1.0 1.9 5.2 225 109 A 7 PHE H A 8 PHE H 1.0 1.7 3.7 226 110 A 7 PHE H A 8 PHE HZ 1.0 2.1 5.3 227 111 A 7 PHE HE% A 9 ARG HBy 1.0 1.8 3.6 228 111 A 7 PHE HE% A 9 ARG HBx 1.0 1.8 3.6 229 112 A 7 PHE HBy A 13 LEU HDy% 1.0 1.9 3.9 230 112 A 7 PHE HBy A 13 LEU HDx% 1.0 1.9 3.9 231 112 A 7 PHE HBx A 13 LEU HDy% 1.0 1.9 3.9 232 112 A 7 PHE HBx A 13 LEU HDx% 1.0 1.9 3.9 233 113 A 7 PHE HD% A 13 LEU HA 1.0 2.1 4.5 234 114 A 7 PHE HD% A 13 LEU HDy% 1.0 2.2 4.6 235 114 A 7 PHE HD% A 13 LEU HDx% 1.0 2.2 4.6 236 115 A 7 PHE HD% A 13 LEU HDy% 1.0 2.3 4.9 237 115 A 7 PHE HD% A 13 LEU HDx% 1.0 2.3 4.9 238 116 A 7 PHE HE% A 13 LEU HDy% 1.0 1.8 3.6 239 116 A 7 PHE HE% A 13 LEU HDx% 1.0 1.8 3.6 240 117 A 7 PHE HZ A 13 LEU HBy 1.0 1.7 3.5 241 117 A 7 PHE HZ A 13 LEU HBx 1.0 1.7 3.5 242 118 A 8 PHE HE% A 8 PHE HA 1.0 2.0 4.4 243 119 A 8 PHE H A 8 PHE HA 1.0 2.0 4.0 244 120 A 8 PHE HZ A 8 PHE HA 1.0 2.2 5.7 245 121 A 8 PHE HE% A 8 PHE HBy 1.0 1.6 3.4 246 121 A 8 PHE HE% A 8 PHE HBx 1.0 1.6 3.4 247 122 A 8 PHE H A 8 PHE HBy 1.0 1.8 3.6 248 122 A 8 PHE H A 8 PHE HBx 1.0 1.8 3.6 249 123 A 8 PHE HZ A 8 PHE HBy 1.0 1.9 4.6 250 123 A 8 PHE HZ A 8 PHE HBx 1.0 1.9 4.6 251 124 A 8 PHE HE% A 8 PHE HBy 1.0 1.7 3.5 252 124 A 8 PHE HE% A 8 PHE HBx 1.0 1.7 3.5 253 125 A 8 PHE H A 8 PHE HBy 1.0 1.8 3.6 254 125 A 8 PHE H A 8 PHE HBx 1.0 1.8 3.6 255 126 A 8 PHE HZ A 8 PHE HBy 1.0 2.0 4.6 256 126 A 8 PHE HZ A 8 PHE HBx 1.0 2.0 4.6 257 127 A 8 PHE HE% A 8 PHE H 1.0 1.8 3.8 258 128 A 8 PHE HZ A 8 PHE H 1.0 1.6 3.8 259 129 A 8 PHE HBy A 9 ARG H 1.0 1.8 3.6 260 129 A 8 PHE HBx A 9 ARG H 1.0 1.8 3.6 261 130 A 8 PHE HBy A 9 ARG H 1.0 1.9 3.9 262 130 A 8 PHE HBx A 9 ARG H 1.0 1.9 3.9 263 131 A 8 PHE HE% A 9 ARG H 1.0 2.0 4.3 264 132 A 8 PHE H A 9 ARG HBy 1.0 1.9 3.9 265 132 A 8 PHE H A 9 ARG HBx 1.0 1.9 3.9 266 133 A 8 PHE H A 9 ARG H 1.0 1.9 3.9 267 134 A 8 PHE HBy A 12 ILE HD1% 1.0 1.7 3.5 268 134 A 8 PHE HBx A 12 ILE HD1% 1.0 1.7 3.5 269 135 A 8 PHE HBy A 12 ILE H 1.0 1.6 3.2 270 135 A 8 PHE HBx A 12 ILE H 1.0 1.6 3.2 271 136 A 8 PHE HE% A 13 LEU HBy 1.0 1.9 3.9 272 136 A 8 PHE HE% A 13 LEU HBx 1.0 1.9 3.9 273 137 A 8 PHE HE% A 13 LEU HDy% 1.0 1.8 3.8 274 137 A 8 PHE HE% A 13 LEU HDx% 1.0 1.8 3.8 275 138 A 8 PHE HE% A 13 LEU HDy% 1.0 1.8 3.6 276 138 A 8 PHE HE% A 13 LEU HDx% 1.0 1.8 3.6 277 139 A 8 PHE H A 13 LEU HBy 1.0 1.9 3.9 278 139 A 8 PHE H A 13 LEU HBx 1.0 1.9 3.9 279 140 A 8 PHE H A 13 LEU HDy% 1.0 1.8 3.8 280 140 A 8 PHE H A 13 LEU HDx% 1.0 1.8 3.8 281 141 A 8 PHE HZ A 13 LEU HBy 1.0 2.0 4.6 282 141 A 8 PHE HZ A 13 LEU HBx 1.0 2.0 4.6 283 142 A 8 PHE HZ A 13 LEU HDy% 1.0 1.9 4.1 284 142 A 8 PHE HZ A 13 LEU HDx% 1.0 1.9 4.1 285 143 A 8 PHE HZ A 13 LEU HDy% 1.0 1.9 4.1 286 143 A 8 PHE HZ A 13 LEU HDx% 1.0 1.9 4.1 287 144 A 9 ARG HBy A 9 ARG HA 1.0 1.4 3.0 288 144 A 9 ARG HBx A 9 ARG HA 1.0 1.4 3.0 289 145 A 9 ARG HBy A 9 ARG HA 1.0 1.4 3.0 290 145 A 9 ARG HBx A 9 ARG HA 1.0 1.4 3.0 291 146 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.6 292 146 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.6 293 147 A 9 ARG H A 9 ARG HA 1.0 1.8 3.6 294 148 A 9 ARG HBy A 9 ARG H 1.0 1.8 3.6 295 148 A 9 ARG HBx A 9 ARG H 1.0 1.8 3.6 296 149 A 9 ARG HBy A 9 ARG H 1.0 1.8 3.6 297 149 A 9 ARG HBx A 9 ARG H 1.0 1.8 3.6 298 150 A 9 ARG HGx A 9 ARG HDx 1.0 1.6 3.4 299 150 A 9 ARG HGy A 9 ARG HDx 1.0 1.6 3.4 300 150 A 9 ARG HDy A 9 ARG HGy 1.0 1.6 3.4 301 150 A 9 ARG HDy A 9 ARG HGx 1.0 1.6 3.4 302 151 A 9 ARG H A 9 ARG HGy 1.0 1.9 3.9 303 151 A 9 ARG H A 9 ARG HGx 1.0 1.9 3.9 304 152 A 9 ARG H A 9 ARG HGy 1.0 1.9 3.9 305 152 A 9 ARG H A 9 ARG HGx 1.0 1.9 3.9 306 153 A 11 PHE HA A 11 PHE HBy 1.0 1.8 3.8 307 153 A 11 PHE HA A 11 PHE HBx 1.0 1.8 3.8 308 154 A 11 PHE HA A 11 PHE H 1.0 1.9 3.9 309 155 A 11 PHE HBy A 11 PHE H 1.0 1.8 3.8 310 155 A 11 PHE HBx A 11 PHE H 1.0 1.8 3.8 311 156 A 11 PHE HBy A 11 PHE H 1.0 1.9 3.9 312 156 A 11 PHE HBx A 11 PHE H 1.0 1.9 3.9 313 157 A 12 ILE HA A 12 ILE HB 1.0 1.7 3.5 314 158 A 12 ILE HD1% A 12 ILE HA 1.0 1.8 3.6 315 159 A 12 ILE HA A 12 ILE HG1y 1.0 1.6 3.4 316 159 A 12 ILE HA A 12 ILE HG1x 1.0 1.6 3.4 317 160 A 12 ILE HA A 12 ILE HG1y 1.0 1.6 3.4 318 160 A 12 ILE HA A 12 ILE HG1x 1.0 1.6 3.4 319 161 A 12 ILE HD1% A 12 ILE HA 1.0 1.6 3.4 320 161 A 12 ILE HA A 12 ILE HG2% 1.0 1.6 3.4 321 162 A 12 ILE H A 12 ILE HA 1.0 1.6 3.4 322 163 A 12 ILE HD1% A 12 ILE HB 1.0 1.6 3.4 323 164 A 12 ILE HB A 12 ILE HG1y 1.0 1.7 3.5 324 164 A 12 ILE HB A 12 ILE HG1x 1.0 1.7 3.5 325 165 A 12 ILE HB A 12 ILE HG1y 1.0 1.7 3.5 326 165 A 12 ILE HB A 12 ILE HG1x 1.0 1.7 3.5 327 166 A 12 ILE HD1% A 12 ILE HB 1.0 1.6 3.2 328 166 A 12 ILE HB A 12 ILE HG2% 1.0 1.6 3.2 329 167 A 12 ILE H A 12 ILE HB 1.0 1.7 3.5 330 168 A 12 ILE HD1% A 12 ILE HG1y 1.0 1.6 3.4 331 168 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.6 3.4 332 169 A 12 ILE HD1% A 12 ILE H 1.0 1.9 3.9 333 170 A 12 ILE HG1y A 12 ILE HG2% 1.0 1.6 3.4 334 170 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.6 3.4 335 170 A 12 ILE HG1x A 12 ILE HG2% 1.0 1.6 3.4 336 170 A 12 ILE HD1% A 12 ILE HG1y 1.0 1.6 3.4 337 171 A 12 ILE H A 12 ILE HG1y 1.0 1.7 3.5 338 171 A 12 ILE H A 12 ILE HG1x 1.0 1.7 3.5 339 172 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.6 340 172 A 12 ILE H A 12 ILE HG1x 1.0 1.8 3.6 341 173 A 12 ILE HD1% A 12 ILE H 1.0 1.8 3.6 342 173 A 12 ILE H A 12 ILE HG2% 1.0 1.8 3.6 343 174 A 13 LEU HBy A 12 ILE HA 1.0 1.7 3.5 344 174 A 13 LEU HBx A 12 ILE HA 1.0 1.7 3.5 345 175 A 13 LEU HBy A 12 ILE HA 1.0 1.8 3.8 346 175 A 13 LEU HBx A 12 ILE HA 1.0 1.8 3.8 347 176 A 13 LEU HDy% A 12 ILE HA 1.0 1.9 3.9 348 176 A 13 LEU HDx% A 12 ILE HA 1.0 1.9 3.9 349 177 A 12 ILE HA A 13 LEU H 1.0 1.6 3.4 350 178 A 13 LEU HDy% A 12 ILE HB 1.0 1.8 3.8 351 178 A 13 LEU HDx% A 12 ILE HB 1.0 1.8 3.8 352 179 A 12 ILE HB A 13 LEU H 1.0 1.7 3.5 353 180 A 12 ILE HG1y A 13 LEU H 1.0 1.8 3.8 354 180 A 12 ILE HG1x A 13 LEU H 1.0 1.8 3.8 355 181 A 12 ILE HG1y A 13 LEU H 1.0 2.0 4.0 356 181 A 12 ILE HG1x A 13 LEU H 1.0 2.0 4.0 357 182 A 12 ILE HD1% A 13 LEU H 1.0 1.7 3.5 358 182 A 12 ILE HG2% A 13 LEU H 1.0 1.7 3.5 359 183 A 13 LEU HBy A 12 ILE H 1.0 1.7 3.5 360 183 A 13 LEU HBx A 12 ILE H 1.0 1.7 3.5 361 184 A 12 ILE H A 13 LEU H 1.0 1.7 3.5 362 185 A 12 ILE HA A 14 GLN H 1.0 1.9 3.9 363 186 A 12 ILE HG2% A 14 GLN HBy 1.0 1.8 3.8 364 186 A 12 ILE HG2% A 14 GLN HBx 1.0 1.8 3.8 365 186 A 12 ILE HD1% A 14 GLN HBx 1.0 1.8 3.8 366 186 A 12 ILE HD1% A 14 GLN HBy 1.0 1.8 3.8 367 187 A 12 ILE HD1% A 14 GLN HGy 1.0 2.0 4.0 368 187 A 12 ILE HD1% A 14 GLN HGx 1.0 2.0 4.0 369 187 A 12 ILE HG2% A 14 GLN HGy 1.0 2.0 4.0 370 187 A 12 ILE HG2% A 14 GLN HGx 1.0 2.0 4.0 371 188 A 12 ILE HD1% A 15 ARG HDx 1.0 2.2 4.6 372 188 A 12 ILE HD1% A 15 ARG HDy 1.0 2.2 4.6 373 188 A 12 ILE HG2% A 15 ARG HDy 1.0 2.2 4.6 374 188 A 12 ILE HG2% A 15 ARG HDx 1.0 2.2 4.6 375 189 A 12 ILE HG1x A 17 LYS HGx 1.0 1.6 3.2 376 189 A 12 ILE HG1y A 17 LYS HGx 1.0 1.6 3.2 377 189 A 12 ILE HG1y A 17 LYS HGy 1.0 1.6 3.2 378 189 A 12 ILE HG1x A 17 LYS HGy 1.0 1.6 3.2 379 190 A 13 LEU HA A 13 LEU HBy 1.0 1.8 3.8 380 190 A 13 LEU HA A 13 LEU HBx 1.0 1.8 3.8 381 191 A 13 LEU HA A 13 LEU HBy 1.0 1.4 3.0 382 191 A 13 LEU HA A 13 LEU HBx 1.0 1.4 3.0 383 192 A 13 LEU HDy% A 13 LEU HA 1.0 1.7 3.5 384 192 A 13 LEU HDx% A 13 LEU HA 1.0 1.7 3.5 385 193 A 13 LEU HDy% A 13 LEU HA 1.0 1.6 3.4 386 193 A 13 LEU HDx% A 13 LEU HA 1.0 1.6 3.4 387 194 A 13 LEU HDy% A 13 LEU HBy 1.0 1.6 3.4 388 194 A 13 LEU HDx% A 13 LEU HBy 1.0 1.6 3.4 389 194 A 13 LEU HDy% A 13 LEU HBx 1.0 1.6 3.4 390 194 A 13 LEU HDx% A 13 LEU HBx 1.0 1.6 3.4 391 195 A 13 LEU HDy% A 13 LEU HBy 1.0 1.6 3.4 392 195 A 13 LEU HDx% A 13 LEU HBy 1.0 1.6 3.4 393 195 A 13 LEU HDy% A 13 LEU HBx 1.0 1.6 3.4 394 195 A 13 LEU HDx% A 13 LEU HBx 1.0 1.6 3.4 395 196 A 13 LEU HBy A 13 LEU H 1.0 1.7 3.5 396 196 A 13 LEU HBx A 13 LEU H 1.0 1.7 3.5 397 197 A 13 LEU HDy% A 13 LEU HBy 1.0 1.6 3.2 398 197 A 13 LEU HDx% A 13 LEU HBy 1.0 1.6 3.2 399 197 A 13 LEU HDy% A 13 LEU HBx 1.0 1.6 3.2 400 197 A 13 LEU HDx% A 13 LEU HBx 1.0 1.6 3.2 401 198 A 13 LEU HDy% A 13 LEU HBy 1.0 1.6 3.2 402 198 A 13 LEU HDx% A 13 LEU HBy 1.0 1.6 3.2 403 198 A 13 LEU HDy% A 13 LEU HBx 1.0 1.6 3.2 404 198 A 13 LEU HDx% A 13 LEU HBx 1.0 1.6 3.2 405 199 A 13 LEU HBy A 13 LEU H 1.0 1.6 3.4 406 199 A 13 LEU HBx A 13 LEU H 1.0 1.6 3.4 407 200 A 13 LEU HDy% A 13 LEU H 1.0 1.9 3.9 408 200 A 13 LEU HDx% A 13 LEU H 1.0 1.9 3.9 409 201 A 13 LEU HDy% A 13 LEU H 1.0 1.6 3.4 410 201 A 13 LEU HDx% A 13 LEU H 1.0 1.6 3.4 411 202 A 13 LEU HA A 14 GLN H 1.0 1.6 3.4 412 203 A 13 LEU HBy A 14 GLN H 1.0 2.0 4.0 413 203 A 13 LEU HBx A 14 GLN H 1.0 2.0 4.0 414 204 A 13 LEU HBy A 14 GLN H 1.0 1.6 3.4 415 204 A 13 LEU HBx A 14 GLN H 1.0 1.6 3.4 416 205 A 13 LEU HDy% A 14 GLN H 1.0 1.8 3.8 417 205 A 13 LEU HDx% A 14 GLN H 1.0 1.8 3.8 418 206 A 13 LEU HDy% A 14 GLN H 1.0 1.7 3.5 419 206 A 13 LEU HDx% A 14 GLN H 1.0 1.7 3.5 420 207 A 13 LEU H A 14 GLN H 1.0 1.7 3.5 421 208 A 13 LEU HDx% A 15 ARG HDx 1.0 2.0 4.0 422 208 A 13 LEU HDy% A 15 ARG HDx 1.0 2.0 4.0 423 208 A 13 LEU HDy% A 15 ARG HDy 1.0 2.0 4.0 424 208 A 13 LEU HDx% A 15 ARG HDy 1.0 2.0 4.0 425 209 A 13 LEU HDx% A 15 ARG HDx 1.0 1.7 3.5 426 209 A 13 LEU HDy% A 15 ARG HDx 1.0 1.7 3.5 427 209 A 13 LEU HDy% A 15 ARG HDy 1.0 1.7 3.5 428 209 A 13 LEU HDx% A 15 ARG HDy 1.0 1.7 3.5 429 210 A 13 LEU HDy% A 17 LYS HEx 1.0 2.0 4.0 430 210 A 13 LEU HDy% A 17 LYS HEy 1.0 2.0 4.0 431 210 A 13 LEU HDx% A 17 LYS HEy 1.0 2.0 4.0 432 210 A 13 LEU HDx% A 17 LYS HEx 1.0 2.0 4.0 433 211 A 14 GLN HBy A 14 GLN HA 1.0 1.6 3.4 434 211 A 14 GLN HBx A 14 GLN HA 1.0 1.6 3.4 435 212 A 14 GLN HBy A 14 GLN HA 1.0 1.4 3.0 436 212 A 14 GLN HBx A 14 GLN HA 1.0 1.4 3.0 437 213 A 14 GLN HA A 14 GLN HGx 1.0 1.6 3.4 438 213 A 14 GLN HGy A 14 GLN HA 1.0 1.6 3.4 439 214 A 14 GLN H A 14 GLN HA 1.0 1.6 3.2 440 215 A 14 GLN HBx A 14 GLN HGx 1.0 1.7 3.5 441 215 A 14 GLN HBy A 14 GLN HGx 1.0 1.7 3.5 442 215 A 14 GLN HBy A 14 GLN HGy 1.0 1.7 3.5 443 215 A 14 GLN HBx A 14 GLN HGy 1.0 1.7 3.5 444 216 A 14 GLN H A 14 GLN HBy 1.0 1.8 3.6 445 216 A 14 GLN H A 14 GLN HBx 1.0 1.8 3.6 446 217 A 14 GLN H A 14 GLN HBy 1.0 1.7 3.5 447 217 A 14 GLN H A 14 GLN HBx 1.0 1.7 3.5 448 218 A 14 GLN H A 14 GLN HGx 1.0 1.7 3.5 449 218 A 14 GLN H A 14 GLN HGy 1.0 1.7 3.5 450 219 A 14 GLN HA A 15 ARG H 1.0 1.6 3.4 451 220 A 14 GLN HBy A 15 ARG H 1.0 1.8 3.8 452 220 A 14 GLN HBx A 15 ARG H 1.0 1.8 3.8 453 221 A 15 ARG HE A 14 GLN HGx 1.0 1.8 3.6 454 221 A 14 GLN HGy A 15 ARG HE 1.0 1.8 3.6 455 222 A 15 ARG H A 14 GLN HGx 1.0 1.7 3.5 456 222 A 14 GLN HGy A 15 ARG H 1.0 1.7 3.5 457 223 A 14 GLN H A 17 LYS HBy 1.0 1.6 3.2 458 223 A 14 GLN H A 17 LYS HBx 1.0 1.6 3.2 459 224 A 15 ARG HA A 15 ARG HBy 1.0 1.4 3.0 460 224 A 15 ARG HA A 15 ARG HBx 1.0 1.4 3.0 461 225 A 15 ARG HA A 15 ARG HBy 1.0 1.4 3.0 462 225 A 15 ARG HA A 15 ARG HBx 1.0 1.4 3.0 463 226 A 15 ARG HA A 15 ARG HDx 1.0 1.5 3.1 464 226 A 15 ARG HDy A 15 ARG HA 1.0 1.5 3.1 465 227 A 15 ARG HBy A 15 ARG HDx 1.0 1.6 3.2 466 227 A 15 ARG HBx A 15 ARG HDx 1.0 1.6 3.2 467 227 A 15 ARG HDy A 15 ARG HBy 1.0 1.6 3.2 468 227 A 15 ARG HDy A 15 ARG HBx 1.0 1.6 3.2 469 228 A 15 ARG H A 15 ARG HBy 1.0 1.8 3.8 470 228 A 15 ARG H A 15 ARG HBx 1.0 1.8 3.8 471 229 A 15 ARG HBy A 15 ARG HDx 1.0 1.6 3.4 472 229 A 15 ARG HBx A 15 ARG HDx 1.0 1.6 3.4 473 229 A 15 ARG HDy A 15 ARG HBy 1.0 1.6 3.4 474 229 A 15 ARG HDy A 15 ARG HBx 1.0 1.6 3.4 475 230 A 15 ARG H A 15 ARG HBy 1.0 1.8 3.6 476 230 A 15 ARG H A 15 ARG HBx 1.0 1.8 3.6 477 231 A 15 ARG HE A 15 ARG HDx 1.0 2.0 4.0 478 231 A 15 ARG HDy A 15 ARG HE 1.0 2.0 4.0 479 232 A 15 ARG H A 15 ARG HDx 1.0 1.9 3.9 480 232 A 15 ARG HDy A 15 ARG H 1.0 1.9 3.9 481 233 A 15 ARG HA A 16 LYS H 1.0 1.6 3.2 482 234 A 15 ARG HBy A 16 LYS H 1.0 1.8 3.6 483 234 A 15 ARG HBx A 16 LYS H 1.0 1.8 3.6 484 235 A 15 ARG HA A 17 LYS H 1.0 1.9 3.9 485 236 A 16 LYS HA A 16 LYS HBy 1.0 2.1 4.5 486 236 A 16 LYS HA A 16 LYS HBx 1.0 2.1 4.5 487 237 A 16 LYS HA A 16 LYS HGx 1.0 1.7 3.5 488 237 A 16 LYS HA A 16 LYS HGy 1.0 1.7 3.5 489 238 A 16 LYS H A 16 LYS HA 1.0 1.7 3.5 490 239 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.6 491 239 A 16 LYS H A 16 LYS HBx 1.0 1.8 3.6 492 240 A 16 LYS HBy A 16 LYS HEx 1.0 1.6 3.2 493 240 A 16 LYS HBx A 16 LYS HEx 1.0 1.6 3.2 494 240 A 16 LYS HBy A 16 LYS HEy 1.0 1.6 3.2 495 240 A 16 LYS HBx A 16 LYS HEy 1.0 1.6 3.2 496 241 A 16 LYS H A 16 LYS HBy 1.0 1.6 3.4 497 241 A 16 LYS H A 16 LYS HBx 1.0 1.6 3.4 498 242 A 16 LYS HEx A 16 LYS HGx 1.0 1.8 3.8 499 242 A 16 LYS HEy A 16 LYS HGx 1.0 1.8 3.8 500 242 A 16 LYS HGy A 16 LYS HEx 1.0 1.8 3.8 501 242 A 16 LYS HGy A 16 LYS HEy 1.0 1.8 3.8 502 243 A 16 LYS H A 16 LYS HEx 1.0 1.9 3.9 503 243 A 16 LYS H A 16 LYS HEy 1.0 1.9 3.9 504 244 A 16 LYS H A 16 LYS HGx 1.0 2.1 4.3 505 244 A 16 LYS H A 16 LYS HGy 1.0 2.1 4.3 506 245 A 17 LYS HBy A 16 LYS HA 1.0 3.2 6.8 507 245 A 17 LYS HBx A 16 LYS HA 1.0 3.2 6.8 508 246 A 17 LYS H A 16 LYS HA 1.0 1.6 3.2 509 247 A 16 LYS HBy A 17 LYS HEx 1.0 1.9 3.9 510 247 A 16 LYS HBx A 17 LYS HEx 1.0 1.9 3.9 511 247 A 17 LYS HEy A 16 LYS HBy 1.0 1.9 3.9 512 247 A 17 LYS HEy A 16 LYS HBx 1.0 1.9 3.9 513 248 A 17 LYS H A 16 LYS HBy 1.0 1.7 3.5 514 248 A 17 LYS H A 16 LYS HBx 1.0 1.7 3.5 515 249 A 16 LYS HEy A 17 LYS HGx 1.0 2.0 4.2 516 249 A 16 LYS HEx A 17 LYS HGx 1.0 2.0 4.2 517 249 A 17 LYS HGy A 16 LYS HEx 1.0 2.0 4.2 518 249 A 17 LYS HGy A 16 LYS HEy 1.0 2.0 4.2 519 250 A 16 LYS HGx A 17 LYS HEx 1.0 1.7 3.5 520 250 A 16 LYS HGy A 17 LYS HEx 1.0 1.7 3.5 521 250 A 17 LYS HEy A 16 LYS HGx 1.0 1.7 3.5 522 250 A 17 LYS HEy A 16 LYS HGy 1.0 1.7 3.5 523 251 A 16 LYS H A 17 LYS H 1.0 1.7 3.5 524 252 A 17 LYS HBy A 17 LYS HA 1.0 1.6 3.4 525 252 A 17 LYS HBx A 17 LYS HA 1.0 1.6 3.4 526 253 A 17 LYS HA A 17 LYS HGx 1.0 1.8 3.8 527 253 A 17 LYS HGy A 17 LYS HA 1.0 1.8 3.8 528 254 A 17 LYS H A 17 LYS HA 1.0 1.7 3.5 529 255 A 17 LYS HBy A 17 LYS H 1.0 1.9 4.1 530 255 A 17 LYS HBx A 17 LYS H 1.0 1.9 4.1 531 256 A 17 LYS HBy A 17 LYS H 1.0 1.7 3.5 532 256 A 17 LYS HBx A 17 LYS H 1.0 1.7 3.5 533 257 A 17 LYS H A 17 LYS HEx 1.0 2.1 4.5 534 257 A 17 LYS HEy A 17 LYS H 1.0 2.1 4.5 535 258 A 17 LYS H A 17 LYS HGx 1.0 1.6 3.4 536 258 A 17 LYS HGy A 17 LYS H 1.0 1.6 3.4 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 ARG C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -83.7 -43.7 PHI 2 2 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 SER N 1.0 -59.6 -19.6 PSI 3 3 A 5 SER C A 6 ORN N A 6 ORN CA A 6 ORN C 1.0 -88.7 -48.7 PHI 4 4 A 6 ORN N A 6 ORN CA A 6 ORN C A 7 PHE N 1.0 -52.1 -12.1 PSI 5 5 A 4 LEU N A 4 LEU CA A 4 LEU CB A 4 LEU CG 1.0 -80.0 -40.0 CHI1 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 9 . . . . 2 ppm . . 9 . . . . stop_ save_