data_nef_c30690_6v1n 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 6V1N 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 DPP N 1 6 DPP C 1 7 PHE N 1 6 DPP CB 1 10 GLN NE2 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 ALA 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 DPP middle -H2,-OXT . 7 A 7 PHE middle -H2 . 8 A 8 PHE middle . . 9 A 9 ARG middle . . 10 A 10 GLN 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 4.472 0.00 A 2 MET HBx H 1 2.060 0.00 A 2 MET CA C 13 55.796 0.00 A 3 ARG H H 1 8.654 0.00 A 3 ARG HA H 1 4.396 0.00 A 3 ARG HBy H 1 1.872 0.00 A 3 ARG HBx H 1 1.810 0.00 A 3 ARG HGy H 1 1.670 0.00 A 3 ARG HGx H 1 1.624 0.00 A 3 ARG CA C 13 56.089 0.00 A 3 ARG CB C 13 30.805 0.00 A 3 ARG N N 15 123.044 0.00 A 4 LEU H H 1 8.407 0.00 A 4 LEU HA H 1 4.403 0.00 A 4 LEU HBx H 1 1.679 0.01 A 4 LEU HDx% H 1 0.964 0.00 A 4 LEU HDy% H 1 0.914 0.00 A 4 LEU CA C 13 55.251 0.00 A 4 LEU CB C 13 42.575 0.00 A 4 LEU N N 15 123.028 0.00 A 5 SER H H 1 8.549 0.00 A 5 SER HA H 1 4.381 0.01 A 5 SER HBy H 1 3.991 0.00 A 5 SER HBx H 1 3.905 0.00 A 5 SER CB C 13 63.734 0.00 A 5 SER N N 15 115.402 0.00 A 6 DPP H H 1 8.125 0.00 A 6 DPP HA H 1 4.565 0.00 A 6 DPP HBy H 1 4.048 0.00 A 6 DPP HBx H 1 3.342 0.00 A 6 DPP HGx H 1 8.030 0.00 A 6 DPP N N 15 113.831 0.00 A 6 DPP NG N 15 115.858 0.00 A 7 PHE H H 1 8.968 0.00 A 7 PHE HA H 1 4.623 0.00 A 7 PHE HBy H 1 3.039 0.00 A 7 PHE HBx H 1 2.960 0.00 A 7 PHE HDy H 1 7.081 0.00 A 7 PHE HEy H 1 7.281 0.00 A 7 PHE HZ H 1 6.911 0.00 A 7 PHE CB C 13 40.976 0.00 A 8 PHE H H 1 8.367 0.00 A 8 PHE HA H 1 4.305 0.00 A 8 PHE HBx H 1 3.181 0.00 A 8 PHE HEy H 1 7.323 0.00 A 8 PHE HZ H 1 7.307 0.00 A 8 PHE CA C 13 61.358 0.00 A 8 PHE CB C 13 39.909 0.00 A 9 ARG H H 1 8.905 0.00 A 9 ARG HA H 1 3.871 0.00 A 9 ARG HDx H 1 3.209 0.00 A 9 ARG HE H 1 7.619 0.00 A 9 ARG HGy H 1 1.674 0.00 A 9 ARG HGx H 1 1.599 0.01 A 9 ARG CA C 13 59.292 0.00 A 10 GLN H H 1 8.125 0.00 A 10 GLN HA H 1 3.971 0.00 A 10 GLN HBy H 1 1.826 0.00 A 10 GLN HBx H 1 1.718 0.00 A 10 GLN HGy H 1 2.418 0.00 A 10 GLN HGx H 1 2.033 0.00 A 10 GLN CA C 13 58.539 0.00 A 11 PHE H H 1 7.611 0.00 A 11 PHE HA H 1 4.450 0.00 A 11 PHE HBy H 1 3.083 0.02 A 11 PHE HBx H 1 2.878 0.00 A 11 PHE HDy H 1 7.199 0.00 A 11 PHE HEy H 1 7.224 0.00 A 11 PHE CA C 13 59.426 0.00 A 11 PHE CB C 13 39.730 0.00 A 11 PHE N N 15 116.651 0.00 A 12 ILE H H 1 7.554 0.00 A 12 ILE HA H 1 3.918 0.00 A 12 ILE HB H 1 1.959 0.00 A 12 ILE HD1% H 1 0.801 0.00 A 12 ILE HG1y H 1 1.458 0.00 A 12 ILE HG1x H 1 1.167 0.00 A 12 ILE HG2% H 1 0.855 0.00 A 12 ILE CA C 13 62.224 0.00 A 12 ILE CB C 13 37.729 0.00 A 12 ILE N N 15 116.807 0.00 A 13 LEU H H 1 7.879 0.00 A 13 LEU HA H 1 4.201 0.00 A 13 LEU HBy H 1 1.705 0.00 A 13 LEU HBx H 1 1.578 0.00 A 13 LEU HDx% H 1 0.907 0.00 A 13 LEU HDy% H 1 0.866 0.00 A 13 LEU CA C 13 55.931 0.00 A 13 LEU CB C 13 41.829 0.00 A 13 LEU N N 15 119.160 0.00 A 14 GLN H H 1 7.815 0.00 A 14 GLN HA H 1 4.214 0.00 A 14 GLN HBy H 1 2.069 0.00 A 14 GLN HBx H 1 1.974 0.00 A 14 GLN HGx H 1 2.301 0.00 A 14 GLN HGy H 1 2.308 0.00 A 14 GLN CB C 13 28.766 0.00 A 14 GLN N N 15 117.905 0.00 A 15 ARG H H 1 7.977 0.00 A 15 ARG HA H 1 4.260 0.00 A 15 ARG HBy H 1 1.828 0.00 A 15 ARG HBx H 1 1.710 0.00 A 15 ARG HGx H 1 1.576 0.00 A 15 ARG CB C 13 30.609 0.00 A 15 ARG N N 15 120.908 0.00 A 16 LYS H H 1 8.255 0.00 A 16 LYS HA H 1 4.272 0.00 A 16 LYS HBy H 1 1.849 0.00 A 16 LYS HBx H 1 1.740 0.00 A 16 LYS HGx H 1 1.446 0.01 A 16 LYS CA C 13 56.319 0.00 A 16 LYS CB C 13 32.963 0.00 A 16 LYS N N 15 122.812 0.00 A 17 LYS H H 1 7.922 0.00 A 17 LYS HA H 1 4.107 0.00 A 17 LYS HBy H 1 1.788 0.00 A 17 LYS HBx H 1 1.701 0.00 A 17 LYS HGx H 1 1.384 0.00 A 17 LYS CA C 13 57.806 0.00 A 17 LYS CB C 13 33.560 0.00 A 17 LYS N N 15 128.175 0.00 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 MET HA A 2 MET HBx 1.0 1.5 3.1 2 1 A 2 MET HA A 2 MET HBy 1.0 1.5 3.1 3 2 A 2 MET HA A 3 ARG HBy 1.0 1.8 3.6 4 2 A 2 MET HA A 3 ARG HBx 1.0 1.8 3.6 5 3 A 2 MET HA A 3 ARG HBy 1.0 1.8 3.6 6 3 A 2 MET HA A 3 ARG HBx 1.0 1.8 3.6 7 4 A 2 MET HA A 3 ARG H 1.0 1.6 3.2 8 5 A 3 ARG HA A 2 MET HBx 1.0 1.7 3.5 9 5 A 2 MET HBy A 3 ARG HA 1.0 1.7 3.5 10 6 A 3 ARG H A 2 MET HBx 1.0 1.6 3.4 11 6 A 2 MET HBy A 3 ARG H 1.0 1.6 3.4 12 7 A 2 MET HA A 4 LEU HBx 1.0 1.8 3.6 13 7 A 2 MET HA A 4 LEU HBy 1.0 1.8 3.6 14 8 A 2 MET HA A 4 LEU HDy% 1.0 1.8 3.8 15 8 A 2 MET HA A 4 LEU HDx% 1.0 1.8 3.8 16 9 A 2 MET HA A 4 LEU H 1.0 1.6 3.4 17 10 A 4 LEU H A 2 MET HBx 1.0 1.7 3.5 18 10 A 2 MET HBy A 4 LEU H 1.0 1.7 3.5 19 11 A 3 ARG HBy A 3 ARG HA 1.0 1.6 3.2 20 11 A 3 ARG HBx A 3 ARG HA 1.0 1.6 3.2 21 12 A 3 ARG HBy A 3 ARG HA 1.0 1.6 3.2 22 12 A 3 ARG HBx A 3 ARG HA 1.0 1.6 3.2 23 13 A 3 ARG HA A 3 ARG HGy 1.0 1.6 3.4 24 13 A 3 ARG HA A 3 ARG HGx 1.0 1.6 3.4 25 14 A 3 ARG H A 3 ARG HA 1.0 1.6 3.4 26 15 A 3 ARG HBy A 3 ARG H 1.0 1.6 3.4 27 15 A 3 ARG HBx A 3 ARG H 1.0 1.6 3.4 28 16 A 3 ARG HBy A 3 ARG H 1.0 1.6 3.4 29 16 A 3 ARG HBx A 3 ARG H 1.0 1.6 3.4 30 17 A 3 ARG H A 3 ARG HGy 1.0 1.6 3.7 31 17 A 3 ARG H A 3 ARG HGx 1.0 1.6 3.7 32 18 A 3 ARG H A 3 ARG HGy 1.0 1.6 3.7 33 18 A 3 ARG H A 3 ARG HGx 1.0 1.6 3.7 34 19 A 3 ARG HA A 4 LEU H 1.0 1.5 3.1 35 20 A 3 ARG HBy A 4 LEU HA 1.0 1.5 3.1 36 20 A 3 ARG HBx A 4 LEU HA 1.0 1.5 3.1 37 21 A 3 ARG HBy A 4 LEU H 1.0 1.6 3.4 38 21 A 3 ARG HBx A 4 LEU H 1.0 1.6 3.4 39 22 A 3 ARG HBy A 4 LEU H 1.0 1.6 3.4 40 22 A 3 ARG HBx A 4 LEU H 1.0 1.6 3.4 41 23 A 3 ARG HGy A 4 LEU HA 1.0 1.5 3.1 42 23 A 3 ARG HGx A 4 LEU HA 1.0 1.5 3.1 43 24 A 4 LEU H A 3 ARG HGy 1.0 1.5 3.1 44 24 A 4 LEU H A 3 ARG HGx 1.0 1.5 3.1 45 25 A 3 ARG H A 4 LEU H 1.0 1.7 3.5 46 26 A 3 ARG HGy A 5 SER H 1.0 1.6 3.4 47 26 A 3 ARG HGx A 5 SER H 1.0 1.6 3.4 48 27 A 4 LEU HDy% A 4 LEU HA 1.0 1.6 3.2 49 27 A 4 LEU HDx% A 4 LEU HA 1.0 1.6 3.2 50 28 A 4 LEU HDy% A 4 LEU HA 1.0 1.5 3.1 51 28 A 4 LEU HDx% A 4 LEU HA 1.0 1.5 3.1 52 29 A 4 LEU H A 4 LEU HA 1.0 1.5 3.1 53 30 A 4 LEU HBx A 4 LEU HDx% 1.0 1.5 3.1 54 30 A 4 LEU HBx A 4 LEU HDy% 1.0 1.5 3.1 55 30 A 4 LEU HBy A 4 LEU HDy% 1.0 1.5 3.1 56 30 A 4 LEU HBy A 4 LEU HDx% 1.0 1.5 3.1 57 31 A 4 LEU HBx A 4 LEU HDx% 1.0 1.5 3.1 58 31 A 4 LEU HBx A 4 LEU HDy% 1.0 1.5 3.1 59 31 A 4 LEU HBy A 4 LEU HDy% 1.0 1.5 3.1 60 31 A 4 LEU HBy A 4 LEU HDx% 1.0 1.5 3.1 61 32 A 4 LEU HBx A 4 LEU H 1.0 1.5 3.1 62 32 A 4 LEU HBy A 4 LEU H 1.0 1.5 3.1 63 33 A 4 LEU HDy% A 4 LEU H 1.0 1.6 3.4 64 33 A 4 LEU HDx% A 4 LEU H 1.0 1.6 3.4 65 34 A 4 LEU HDy% A 4 LEU H 1.0 1.6 3.4 66 34 A 4 LEU HDx% A 4 LEU H 1.0 1.6 3.4 67 35 A 4 LEU HA A 5 SER H 1.0 1.6 3.2 68 36 A 4 LEU HBx A 5 SER H 1.0 1.6 3.4 69 36 A 4 LEU HBy A 5 SER H 1.0 1.6 3.4 70 37 A 4 LEU HDy% A 5 SER H 1.0 1.9 3.9 71 37 A 4 LEU HDx% A 5 SER H 1.0 1.9 3.9 72 38 A 4 LEU HDy% A 5 SER H 1.0 1.7 3.5 73 38 A 4 LEU HDx% A 5 SER H 1.0 1.7 3.5 74 39 A 4 LEU H A 5 SER H 1.0 1.7 3.5 75 40 A 4 LEU HA A 7 PHE HBy 1.0 1.8 3.6 76 40 A 4 LEU HA A 7 PHE HBx 1.0 1.8 3.6 77 41 A 4 LEU HA A 7 PHE HZ 1.0 1.7 4.5 78 42 A 4 LEU HBx A 7 PHE HZ 1.0 1.6 4.4 79 42 A 4 LEU HBy A 7 PHE HZ 1.0 1.6 4.4 80 43 A 4 LEU HDy% A 7 PHE HA 1.0 1.8 3.6 81 43 A 4 LEU HDx% A 7 PHE HA 1.0 1.8 3.6 82 44 A 4 LEU HDy% A 7 PHE HBx 1.0 1.8 3.6 83 44 A 4 LEU HDy% A 7 PHE HBy 1.0 1.8 3.6 84 44 A 4 LEU HDx% A 7 PHE HBy 1.0 1.8 3.6 85 44 A 4 LEU HDx% A 7 PHE HBx 1.0 1.8 3.6 86 45 A 4 LEU HDy% A 7 PHE HBx 1.0 1.7 3.5 87 45 A 4 LEU HDy% A 7 PHE HBy 1.0 1.7 3.5 88 45 A 4 LEU HDx% A 7 PHE HBy 1.0 1.7 3.5 89 45 A 4 LEU HDx% A 7 PHE HBx 1.0 1.7 3.5 90 46 A 4 LEU HDy% A 7 PHE HD% 1.0 1.7 3.5 91 46 A 4 LEU HDx% A 7 PHE HD% 1.0 1.7 3.5 92 47 A 4 LEU HDy% A 7 PHE HE% 1.0 1.7 3.5 93 47 A 4 LEU HDx% A 7 PHE HE% 1.0 1.7 3.5 94 48 A 4 LEU HDy% A 7 PHE HZ 1.0 1.6 3.4 95 48 A 4 LEU HDx% A 7 PHE HZ 1.0 1.6 3.4 96 49 A 4 LEU HDy% A 7 PHE HBx 1.0 1.8 3.8 97 49 A 4 LEU HDy% A 7 PHE HBy 1.0 1.8 3.8 98 49 A 4 LEU HDx% A 7 PHE HBy 1.0 1.8 3.8 99 49 A 4 LEU HDx% A 7 PHE HBx 1.0 1.8 3.8 100 50 A 4 LEU HDy% A 7 PHE HBx 1.0 1.7 3.5 101 50 A 4 LEU HDy% A 7 PHE HBy 1.0 1.7 3.5 102 50 A 4 LEU HDx% A 7 PHE HBy 1.0 1.7 3.5 103 50 A 4 LEU HDx% A 7 PHE HBx 1.0 1.7 3.5 104 51 A 4 LEU HDy% A 7 PHE HD% 1.0 1.6 3.4 105 51 A 4 LEU HDx% A 7 PHE HD% 1.0 1.6 3.4 106 52 A 4 LEU HDy% A 7 PHE HE% 1.0 1.6 3.4 107 52 A 4 LEU HDx% A 7 PHE HE% 1.0 1.6 3.4 108 53 A 4 LEU HDy% A 7 PHE HZ 1.0 1.7 3.5 109 53 A 4 LEU HDx% A 7 PHE HZ 1.0 1.7 3.5 110 54 A 4 LEU HBx A 8 PHE HE% 1.0 1.6 3.4 111 54 A 4 LEU HBy A 8 PHE HE% 1.0 1.6 3.4 112 55 A 4 LEU HDy% A 8 PHE HE% 1.0 1.9 3.9 113 55 A 4 LEU HDx% A 8 PHE HE% 1.0 1.9 3.9 114 56 A 4 LEU HDy% A 8 PHE HZ 1.0 1.6 3.2 115 56 A 4 LEU HDx% A 8 PHE HZ 1.0 1.6 3.2 116 57 A 4 LEU HDy% A 11 PHE HD% 1.0 1.7 3.5 117 57 A 4 LEU HDx% A 11 PHE HD% 1.0 1.7 3.5 118 58 A 4 LEU HDy% A 11 PHE HE% 1.0 1.7 3.5 119 58 A 4 LEU HDx% A 11 PHE HE% 1.0 1.7 3.5 120 59 A 4 LEU HDy% A 11 PHE HE% 1.0 1.7 3.5 121 59 A 4 LEU HDx% A 11 PHE HE% 1.0 1.7 3.5 122 60 A 5 SER HA A 5 SER HBy 1.0 1.6 3.2 123 60 A 5 SER HA A 5 SER HBx 1.0 1.6 3.2 124 61 A 5 SER HA A 5 SER HBy 1.0 1.6 3.2 125 61 A 5 SER HA A 5 SER HBx 1.0 1.6 3.2 126 62 A 5 SER H A 5 SER HA 1.0 1.6 3.4 127 63 A 5 SER H A 5 SER HBy 1.0 1.6 3.4 128 63 A 5 SER H A 5 SER HBx 1.0 1.6 3.4 129 64 A 5 SER H A 5 SER HBy 1.0 1.6 3.4 130 64 A 5 SER H A 5 SER HBx 1.0 1.6 3.4 131 65 A 7 PHE HBy A 7 PHE HA 1.0 1.6 3.2 132 65 A 7 PHE HBx A 7 PHE HA 1.0 1.6 3.2 133 66 A 7 PHE HBy A 7 PHE HA 1.0 1.6 3.2 134 66 A 7 PHE HBx A 7 PHE HA 1.0 1.6 3.2 135 67 A 7 PHE HA A 7 PHE HD% 1.0 1.7 3.5 136 68 A 7 PHE HA A 7 PHE HE% 1.0 1.6 3.4 137 69 A 7 PHE HA A 7 PHE H 1.0 1.7 3.5 138 70 A 7 PHE HZ A 7 PHE HA 1.0 1.6 4.5 139 71 A 7 PHE HBy A 7 PHE HD% 1.0 1.6 3.4 140 71 A 7 PHE HBx A 7 PHE HD% 1.0 1.6 3.4 141 72 A 7 PHE HBy A 7 PHE H 1.0 1.6 3.4 142 72 A 7 PHE HBx A 7 PHE H 1.0 1.6 3.4 143 73 A 7 PHE HBy A 7 PHE HZ 1.0 1.6 4.6 144 73 A 7 PHE HBx A 7 PHE HZ 1.0 1.6 4.6 145 74 A 7 PHE HBy A 7 PHE HD% 1.0 1.7 3.5 146 74 A 7 PHE HBx A 7 PHE HD% 1.0 1.7 3.5 147 75 A 7 PHE HBy A 7 PHE H 1.0 1.6 3.4 148 75 A 7 PHE HBx A 7 PHE H 1.0 1.6 3.4 149 76 A 7 PHE HBy A 7 PHE HZ 1.0 1.6 4.6 150 76 A 7 PHE HBx A 7 PHE HZ 1.0 1.6 4.6 151 77 A 7 PHE HD% A 7 PHE HE% 1.0 1.6 3.4 152 78 A 7 PHE HZ A 7 PHE HD% 1.0 1.5 3.3 153 79 A 7 PHE HZ A 7 PHE HE% 1.0 1.6 3.4 154 80 A 7 PHE HA A 8 PHE HA 1.0 1.8 3.6 155 81 A 7 PHE HA A 8 PHE HE% 1.0 1.7 4.4 156 82 A 7 PHE HBy A 8 PHE HA 1.0 1.7 3.5 157 82 A 7 PHE HBx A 8 PHE HA 1.0 1.7 3.5 158 83 A 7 PHE HBy A 8 PHE HE% 1.0 1.7 3.5 159 83 A 7 PHE HBx A 8 PHE HE% 1.0 1.7 3.5 160 84 A 7 PHE HBy A 8 PHE H 1.0 1.6 3.4 161 84 A 7 PHE HBx A 8 PHE H 1.0 1.6 3.4 162 85 A 7 PHE HBy A 8 PHE HZ 1.0 2.1 4.5 163 85 A 7 PHE HBx A 8 PHE HZ 1.0 2.1 4.5 164 86 A 7 PHE HBy A 8 PHE HA 1.0 1.7 3.5 165 86 A 7 PHE HBx A 8 PHE HA 1.0 1.7 3.5 166 87 A 7 PHE HBy A 8 PHE HE% 1.0 1.7 3.5 167 87 A 7 PHE HBx A 8 PHE HE% 1.0 1.7 3.5 168 88 A 7 PHE HBy A 8 PHE H 1.0 1.6 3.4 169 88 A 7 PHE HBx A 8 PHE H 1.0 1.6 3.4 170 89 A 7 PHE HBy A 8 PHE HZ 1.0 1.8 4.6 171 89 A 7 PHE HBx A 8 PHE HZ 1.0 1.8 4.6 172 90 A 7 PHE HD% A 8 PHE HA 1.0 1.6 3.4 173 91 A 7 PHE HD% A 8 PHE HE% 1.0 1.6 3.4 174 92 A 7 PHE HE% A 8 PHE HA 1.0 1.7 3.5 175 93 A 7 PHE HZ A 8 PHE HA 1.0 1.6 5.3 176 94 A 7 PHE HZ A 8 PHE HE% 1.0 1.6 5.0 177 95 A 7 PHE HA A 11 PHE HD% 1.0 1.6 3.2 178 96 A 7 PHE HA A 11 PHE HE% 1.0 1.8 3.8 179 97 A 7 PHE HBy A 11 PHE HD% 1.0 1.6 4.1 180 97 A 7 PHE HBx A 11 PHE HD% 1.0 1.6 4.1 181 98 A 7 PHE HD% A 11 PHE HBy 1.0 1.7 3.5 182 98 A 7 PHE HD% A 11 PHE HBx 1.0 1.7 3.5 183 99 A 7 PHE HD% A 11 PHE HD% 1.0 1.7 3.5 184 100 A 7 PHE HE% A 11 PHE HA 1.0 1.6 4.1 185 101 A 7 PHE HE% A 11 PHE HBy 1.0 1.6 3.4 186 101 A 7 PHE HE% A 11 PHE HBx 1.0 1.6 3.4 187 102 A 7 PHE HE% A 11 PHE HBy 1.0 1.7 3.5 188 102 A 7 PHE HE% A 11 PHE HBx 1.0 1.7 3.5 189 103 A 7 PHE HE% A 11 PHE HE% 1.0 1.4 3.0 190 104 A 7 PHE HE% A 11 PHE H 1.0 1.6 3.4 191 105 A 7 PHE HZ A 11 PHE HBy 1.0 1.6 3.4 192 105 A 7 PHE HZ A 11 PHE HBx 1.0 1.6 3.4 193 106 A 7 PHE HZ A 11 PHE HD% 1.0 1.6 3.4 194 107 A 7 PHE HZ A 11 PHE HE% 1.0 1.8 3.8 195 108 A 7 PHE HD% A 12 ILE HD1% 1.0 1.6 3.4 196 109 A 7 PHE HD% A 12 ILE HG1y 1.0 1.7 3.5 197 109 A 7 PHE HD% A 12 ILE HG1x 1.0 1.7 3.5 198 110 A 7 PHE HD% A 12 ILE HG1x 1.0 1.7 3.5 199 111 A 7 PHE HD% A 12 ILE HD1% 1.0 1.6 3.4 200 111 A 7 PHE HD% A 12 ILE HG2% 1.0 1.6 3.4 201 112 A 7 PHE HE% A 12 ILE HA 1.0 1.8 3.8 202 113 A 7 PHE HE% A 12 ILE HD1% 1.0 1.6 3.4 203 114 A 7 PHE HE% A 12 ILE HG1y 1.0 1.8 3.6 204 114 A 7 PHE HE% A 12 ILE HG1x 1.0 1.8 3.6 205 115 A 7 PHE HE% A 12 ILE HG1x 1.0 1.7 3.5 206 116 A 7 PHE HE% A 12 ILE HD1% 1.0 1.6 3.4 207 116 A 7 PHE HE% A 12 ILE HG2% 1.0 1.6 3.4 208 117 A 7 PHE HE% A 12 ILE H 1.0 1.7 3.5 209 118 A 7 PHE HZ A 12 ILE HD1% 1.0 1.7 3.5 210 119 A 7 PHE HZ A 12 ILE HD1% 1.0 1.7 3.5 211 119 A 7 PHE HZ A 12 ILE HG2% 1.0 1.7 3.5 212 120 A 7 PHE HE% A 13 LEU HBy 1.0 1.7 4.5 213 120 A 7 PHE HE% A 13 LEU HBx 1.0 1.7 4.5 214 121 A 8 PHE HA A 8 PHE HBx 1.0 1.5 3.1 215 121 A 8 PHE HA A 8 PHE HBy 1.0 1.5 3.1 216 122 A 8 PHE HE% A 8 PHE HA 1.0 1.6 3.2 217 123 A 8 PHE HA A 8 PHE H 1.0 1.6 3.4 218 124 A 8 PHE HZ A 8 PHE HA 1.0 2.9 5.9 219 125 A 8 PHE HE% A 8 PHE HBx 1.0 1.5 3.5 220 125 A 8 PHE HE% A 8 PHE HBy 1.0 1.5 3.5 221 126 A 8 PHE H A 8 PHE HBx 1.0 1.6 3.2 222 126 A 8 PHE H A 8 PHE HBy 1.0 1.6 3.2 223 127 A 8 PHE HZ A 8 PHE HBx 1.0 1.8 4.7 224 127 A 8 PHE HZ A 8 PHE HBy 1.0 1.8 4.7 225 128 A 8 PHE HE% A 8 PHE H 1.0 1.7 3.7 226 129 A 8 PHE HA A 9 ARG HA 1.0 1.7 3.5 227 130 A 8 PHE HA A 9 ARG H 1.0 1.6 3.4 228 131 A 9 ARG H A 8 PHE HBx 1.0 1.6 3.2 229 131 A 8 PHE HBy A 9 ARG H 1.0 1.6 3.2 230 132 A 8 PHE HE% A 9 ARG HA 1.0 1.6 4.6 231 133 A 8 PHE HE% A 9 ARG HGy 1.0 1.6 4.0 232 133 A 8 PHE HE% A 9 ARG HGx 1.0 1.6 4.0 233 134 A 8 PHE HE% A 9 ARG H 1.0 1.7 3.5 234 135 A 8 PHE H A 9 ARG H 1.0 1.7 3.5 235 136 A 8 PHE HA A 11 PHE HBy 1.0 1.6 3.7 236 136 A 8 PHE HA A 11 PHE HBx 1.0 1.6 3.7 237 137 A 8 PHE HA A 11 PHE HBy 1.0 1.7 3.9 238 137 A 8 PHE HA A 11 PHE HBx 1.0 1.7 3.9 239 138 A 11 PHE HD% A 8 PHE HA 1.0 1.6 3.4 240 139 A 8 PHE HA A 11 PHE H 1.0 1.8 3.6 241 140 A 11 PHE HD% A 8 PHE HBx 1.0 1.6 4.5 242 140 A 11 PHE HD% A 8 PHE HBy 1.0 1.6 4.5 243 141 A 8 PHE HA A 12 ILE HB 1.0 1.6 3.7 244 142 A 8 PHE HA A 12 ILE HD1% 1.0 1.6 3.4 245 143 A 8 PHE HA A 12 ILE HG1y 1.0 1.6 3.4 246 143 A 8 PHE HA A 12 ILE HG1x 1.0 1.6 3.4 247 144 A 8 PHE HA A 12 ILE HG1x 1.0 1.6 3.7 248 145 A 8 PHE HA A 12 ILE HD1% 1.0 1.6 3.2 249 145 A 8 PHE HA A 12 ILE HG2% 1.0 1.6 3.2 250 146 A 8 PHE HA A 12 ILE H 1.0 1.7 3.5 251 147 A 8 PHE HE% A 12 ILE HA 1.0 1.8 4.6 252 148 A 8 PHE HE% A 12 ILE HB 1.0 1.6 3.4 253 149 A 8 PHE HE% A 12 ILE HD1% 1.0 1.6 3.2 254 150 A 8 PHE HE% A 12 ILE HG1y 1.0 1.7 3.5 255 150 A 8 PHE HE% A 12 ILE HG1x 1.0 1.7 3.5 256 151 A 8 PHE HE% A 12 ILE HG1x 1.0 1.7 3.5 257 152 A 8 PHE HE% A 12 ILE HD1% 1.0 1.6 3.2 258 152 A 8 PHE HE% A 12 ILE HG2% 1.0 1.6 3.2 259 153 A 8 PHE HZ A 12 ILE HB 1.0 1.9 4.1 260 154 A 8 PHE HZ A 12 ILE HD1% 1.0 1.7 3.5 261 155 A 8 PHE HZ A 12 ILE HG1y 1.0 1.9 3.9 262 155 A 8 PHE HZ A 12 ILE HG1x 1.0 1.9 3.9 263 156 A 8 PHE HZ A 12 ILE HG1x 1.0 1.8 3.8 264 157 A 8 PHE HZ A 12 ILE HD1% 1.0 1.6 3.4 265 157 A 8 PHE HZ A 12 ILE HG2% 1.0 1.6 3.4 266 158 A 8 PHE HA A 13 LEU HBy 1.0 1.6 3.5 267 158 A 8 PHE HA A 13 LEU HBx 1.0 1.6 3.5 268 159 A 8 PHE HA A 13 LEU HDy% 1.0 1.6 3.2 269 159 A 8 PHE HA A 13 LEU HDx% 1.0 1.6 3.2 270 160 A 8 PHE HA A 13 LEU H 1.0 1.7 4.1 271 161 A 8 PHE HE% A 13 LEU HBy 1.0 1.6 4.2 272 161 A 8 PHE HE% A 13 LEU HBx 1.0 1.6 4.2 273 162 A 8 PHE HE% A 13 LEU HDy% 1.0 1.6 3.4 274 162 A 8 PHE HE% A 13 LEU HDx% 1.0 1.6 3.4 275 163 A 8 PHE HZ A 13 LEU HDy% 1.0 1.7 3.9 276 163 A 8 PHE HZ A 13 LEU HDx% 1.0 1.7 3.9 277 164 A 9 ARG HA A 9 ARG HGy 1.0 1.6 3.4 278 164 A 9 ARG HA A 9 ARG HGx 1.0 1.6 3.4 279 165 A 9 ARG HA A 9 ARG H 1.0 1.6 3.4 280 166 A 9 ARG HE A 9 ARG HDx 1.0 1.6 3.4 281 166 A 9 ARG HDy A 9 ARG HE 1.0 1.6 3.4 282 167 A 9 ARG HGy A 9 ARG HE 1.0 1.5 3.1 283 167 A 9 ARG HGx A 9 ARG HE 1.0 1.5 3.1 284 168 A 9 ARG HGy A 9 ARG HE 1.0 1.5 3.1 285 168 A 9 ARG HGx A 9 ARG HE 1.0 1.5 3.1 286 169 A 9 ARG H A 9 ARG HGy 1.0 1.6 3.4 287 169 A 9 ARG H A 9 ARG HGx 1.0 1.6 3.4 288 170 A 9 ARG H A 9 ARG HGy 1.0 1.6 3.4 289 170 A 9 ARG H A 9 ARG HGx 1.0 1.6 3.4 290 171 A 9 ARG HA A 10 GLN HBy 1.0 1.5 3.6 291 171 A 9 ARG HA A 10 GLN HBx 1.0 1.5 3.6 292 172 A 9 ARG HE A 10 GLN HBy 1.0 1.5 3.1 293 172 A 9 ARG HE A 10 GLN HBx 1.0 1.5 3.1 294 173 A 9 ARG H A 10 GLN HBy 1.0 1.6 3.4 295 173 A 9 ARG H A 10 GLN HBx 1.0 1.6 3.4 296 174 A 11 PHE HD% A 9 ARG HA 1.0 1.9 3.9 297 175 A 11 PHE H A 9 ARG HA 1.0 1.7 3.5 298 176 A 9 ARG HA A 12 ILE HB 1.0 1.6 3.4 299 177 A 12 ILE HD1% A 9 ARG HA 1.0 1.6 3.4 300 178 A 12 ILE HG1y A 9 ARG HA 1.0 1.7 4.5 301 178 A 12 ILE HG1x A 9 ARG HA 1.0 1.7 4.5 302 179 A 12 ILE HG1x A 9 ARG HA 1.0 1.7 5.1 303 180 A 12 ILE HD1% A 9 ARG HA 1.0 1.6 3.4 304 180 A 12 ILE HG2% A 9 ARG HA 1.0 1.6 3.4 305 181 A 12 ILE H A 9 ARG HA 1.0 1.7 3.7 306 182 A 13 LEU HBy A 9 ARG HA 1.0 1.5 3.1 307 182 A 13 LEU HBx A 9 ARG HA 1.0 1.5 3.1 308 183 A 13 LEU HBy A 9 ARG HA 1.0 1.6 3.2 309 183 A 13 LEU HBx A 9 ARG HA 1.0 1.6 3.2 310 184 A 9 ARG HA A 13 LEU HDy% 1.0 1.6 3.4 311 184 A 9 ARG HA A 13 LEU HDx% 1.0 1.6 3.4 312 185 A 9 ARG HA A 13 LEU HDy% 1.0 1.6 3.2 313 185 A 9 ARG HA A 13 LEU HDx% 1.0 1.6 3.2 314 186 A 9 ARG HA A 13 LEU H 1.0 1.7 3.5 315 187 A 13 LEU HDy% A 9 ARG HE 1.0 1.6 3.4 316 187 A 13 LEU HDx% A 9 ARG HE 1.0 1.6 3.4 317 188 A 13 LEU HDy% A 9 ARG HE 1.0 1.6 3.2 318 188 A 13 LEU HDx% A 9 ARG HE 1.0 1.6 3.2 319 189 A 10 GLN HBy A 10 GLN HA 1.0 1.6 3.2 320 189 A 10 GLN HBx A 10 GLN HA 1.0 1.6 3.2 321 190 A 10 GLN HBy A 10 GLN HA 1.0 1.6 3.2 322 190 A 10 GLN HBx A 10 GLN HA 1.0 1.6 3.2 323 191 A 10 GLN HA A 10 GLN HGy 1.0 1.6 3.4 324 191 A 10 GLN HA A 10 GLN HGx 1.0 1.6 3.4 325 192 A 10 GLN HA A 10 GLN HGy 1.0 1.5 3.1 326 192 A 10 GLN HA A 10 GLN HGx 1.0 1.5 3.1 327 193 A 10 GLN HA A 10 GLN H 1.0 1.6 3.4 328 194 A 10 GLN HBy A 10 GLN HGy 1.0 1.6 3.2 329 194 A 10 GLN HBy A 10 GLN HGx 1.0 1.6 3.2 330 194 A 10 GLN HBx A 10 GLN HGy 1.0 1.6 3.2 331 194 A 10 GLN HBx A 10 GLN HGx 1.0 1.6 3.2 332 195 A 10 GLN HBy A 10 GLN HGy 1.0 1.6 3.2 333 195 A 10 GLN HBy A 10 GLN HGx 1.0 1.6 3.2 334 195 A 10 GLN HBx A 10 GLN HGy 1.0 1.6 3.2 335 195 A 10 GLN HBx A 10 GLN HGx 1.0 1.6 3.2 336 196 A 10 GLN HBy A 10 GLN H 1.0 1.6 3.4 337 196 A 10 GLN HBx A 10 GLN H 1.0 1.6 3.4 338 197 A 10 GLN HBy A 10 GLN HGy 1.0 1.6 3.2 339 197 A 10 GLN HBy A 10 GLN HGx 1.0 1.6 3.2 340 197 A 10 GLN HBx A 10 GLN HGy 1.0 1.6 3.2 341 197 A 10 GLN HBx A 10 GLN HGx 1.0 1.6 3.2 342 198 A 10 GLN HBy A 10 GLN HGy 1.0 1.6 3.4 343 198 A 10 GLN HBy A 10 GLN HGx 1.0 1.6 3.4 344 198 A 10 GLN HBx A 10 GLN HGy 1.0 1.6 3.4 345 198 A 10 GLN HBx A 10 GLN HGx 1.0 1.6 3.4 346 199 A 10 GLN HBy A 10 GLN H 1.0 1.6 3.4 347 199 A 10 GLN HBx A 10 GLN H 1.0 1.6 3.4 348 200 A 10 GLN HGy A 10 GLN H 1.0 1.6 3.5 349 200 A 10 GLN HGx A 10 GLN H 1.0 1.6 3.5 350 201 A 10 GLN HGy A 10 GLN H 1.0 1.6 3.5 351 201 A 10 GLN HGx A 10 GLN H 1.0 1.6 3.5 352 202 A 11 PHE HA A 10 GLN HA 1.0 1.7 4.1 353 203 A 11 PHE HD% A 10 GLN HA 1.0 1.8 3.6 354 204 A 11 PHE H A 10 GLN HA 1.0 1.6 3.4 355 205 A 11 PHE HBx A 10 GLN HBy 1.0 1.6 4.0 356 205 A 11 PHE HBy A 10 GLN HBy 1.0 1.6 4.0 357 205 A 11 PHE HBy A 10 GLN HBx 1.0 1.6 4.0 358 205 A 11 PHE HBx A 10 GLN HBx 1.0 1.6 4.0 359 206 A 11 PHE HD% A 10 GLN HBy 1.0 1.6 3.4 360 206 A 11 PHE HD% A 10 GLN HBx 1.0 1.6 3.4 361 207 A 11 PHE H A 10 GLN HBy 1.0 1.6 3.4 362 207 A 11 PHE H A 10 GLN HBx 1.0 1.6 3.4 363 208 A 11 PHE HA A 10 GLN HBy 1.0 1.8 4.5 364 208 A 11 PHE HA A 10 GLN HBx 1.0 1.8 4.5 365 209 A 11 PHE H A 10 GLN HBy 1.0 1.6 3.4 366 209 A 11 PHE H A 10 GLN HBx 1.0 1.6 3.4 367 210 A 11 PHE HD% A 10 GLN HGy 1.0 1.7 3.5 368 210 A 11 PHE HD% A 10 GLN HGx 1.0 1.7 3.5 369 211 A 11 PHE H A 10 GLN HGy 1.0 1.8 3.6 370 211 A 11 PHE H A 10 GLN HGx 1.0 1.8 3.6 371 212 A 11 PHE HD% A 10 GLN HGy 1.0 1.6 3.4 372 212 A 11 PHE HD% A 10 GLN HGx 1.0 1.6 3.4 373 213 A 11 PHE H A 10 GLN HGy 1.0 1.6 3.4 374 213 A 11 PHE H A 10 GLN HGx 1.0 1.6 3.4 375 214 A 12 ILE HD1% A 10 GLN HA 1.0 1.6 3.8 376 215 A 12 ILE H A 10 GLN HA 1.0 1.8 4.3 377 216 A 12 ILE HG2% A 10 GLN HBy 1.0 1.5 3.1 378 216 A 12 ILE HD1% A 10 GLN HBx 1.0 1.5 3.1 379 216 A 12 ILE HG2% A 10 GLN HBx 1.0 1.5 3.1 380 216 A 12 ILE HD1% A 10 GLN HBy 1.0 1.5 3.1 381 217 A 13 LEU HBy A 10 GLN HA 1.0 1.6 3.4 382 217 A 13 LEU HBx A 10 GLN HA 1.0 1.6 3.4 383 218 A 13 LEU HDy% A 10 GLN HA 1.0 1.6 4.4 384 218 A 13 LEU HDx% A 10 GLN HA 1.0 1.6 4.4 385 219 A 13 LEU H A 10 GLN HA 1.0 1.6 3.8 386 220 A 13 LEU HDx% A 10 GLN HBy 1.0 1.6 3.9 387 220 A 13 LEU HDy% A 10 GLN HBy 1.0 1.6 3.9 388 220 A 13 LEU HDy% A 10 GLN HBx 1.0 1.6 3.9 389 220 A 13 LEU HDx% A 10 GLN HBx 1.0 1.6 3.9 390 221 A 10 GLN HA A 14 GLN HBy 1.0 1.8 3.6 391 221 A 10 GLN HA A 14 GLN HBx 1.0 1.8 3.6 392 222 A 11 PHE HBy A 11 PHE HA 1.0 1.6 3.2 393 222 A 11 PHE HBx A 11 PHE HA 1.0 1.6 3.2 394 223 A 11 PHE HBy A 11 PHE HA 1.0 1.6 3.2 395 223 A 11 PHE HBx A 11 PHE HA 1.0 1.6 3.2 396 224 A 11 PHE HD% A 11 PHE HA 1.0 1.6 3.2 397 225 A 11 PHE HE% A 11 PHE HA 1.0 1.4 4.4 398 226 A 11 PHE HA A 11 PHE H 1.0 1.6 3.2 399 227 A 11 PHE HD% A 11 PHE HBy 1.0 1.6 3.2 400 227 A 11 PHE HD% A 11 PHE HBx 1.0 1.6 3.2 401 228 A 11 PHE HE% A 11 PHE HBy 1.0 1.7 3.5 402 228 A 11 PHE HE% A 11 PHE HBx 1.0 1.7 3.5 403 229 A 11 PHE HBy A 11 PHE H 1.0 1.6 3.2 404 229 A 11 PHE HBx A 11 PHE H 1.0 1.6 3.2 405 230 A 11 PHE HD% A 11 PHE HBy 1.0 1.6 3.2 406 230 A 11 PHE HD% A 11 PHE HBx 1.0 1.6 3.2 407 231 A 11 PHE HE% A 11 PHE HBy 1.0 1.9 3.9 408 231 A 11 PHE HE% A 11 PHE HBx 1.0 1.9 3.9 409 232 A 11 PHE HBy A 11 PHE H 1.0 1.6 3.2 410 232 A 11 PHE HBx A 11 PHE H 1.0 1.6 3.2 411 233 A 11 PHE HD% A 11 PHE H 1.0 1.6 3.2 412 234 A 11 PHE HA A 12 ILE HA 1.0 1.7 4.4 413 235 A 11 PHE HA A 12 ILE HB 1.0 1.6 5.4 414 236 A 11 PHE HA A 12 ILE HD1% 1.0 1.8 3.6 415 236 A 11 PHE HA A 12 ILE HG2% 1.0 1.8 3.6 416 237 A 11 PHE HA A 12 ILE H 1.0 1.6 3.4 417 238 A 11 PHE HBy A 12 ILE HA 1.0 1.8 3.6 418 238 A 11 PHE HBx A 12 ILE HA 1.0 1.8 3.6 419 239 A 11 PHE HBy A 12 ILE H 1.0 1.6 3.4 420 239 A 11 PHE HBx A 12 ILE H 1.0 1.6 3.4 421 240 A 11 PHE HBy A 12 ILE H 1.0 1.6 3.4 422 240 A 11 PHE HBx A 12 ILE H 1.0 1.6 3.4 423 241 A 11 PHE HD% A 12 ILE HA 1.0 1.6 4.7 424 242 A 11 PHE HD% A 12 ILE HB 1.0 1.6 4.0 425 243 A 11 PHE HD% A 12 ILE HD1% 1.0 1.6 3.4 426 244 A 11 PHE HD% A 12 ILE HG1y 1.0 1.6 3.4 427 244 A 11 PHE HD% A 12 ILE HG1x 1.0 1.6 3.4 428 245 A 11 PHE HD% A 12 ILE HG1x 1.0 1.6 3.4 429 246 A 11 PHE HD% A 12 ILE HD1% 1.0 1.6 3.4 430 246 A 11 PHE HD% A 12 ILE HG2% 1.0 1.6 3.4 431 247 A 11 PHE HD% A 12 ILE H 1.0 1.6 3.2 432 248 A 11 PHE HE% A 12 ILE HD1% 1.0 1.6 3.2 433 249 A 11 PHE HE% A 12 ILE HD1% 1.0 1.8 3.8 434 249 A 11 PHE HE% A 12 ILE HG2% 1.0 1.8 3.8 435 250 A 11 PHE H A 12 ILE HA 1.0 1.7 3.7 436 251 A 11 PHE H A 12 ILE HB 1.0 1.6 3.2 437 252 A 11 PHE H A 12 ILE HD1% 1.0 1.6 3.2 438 253 A 11 PHE H A 12 ILE HD1% 1.0 1.7 3.5 439 253 A 11 PHE H A 12 ILE HG2% 1.0 1.7 3.5 440 254 A 11 PHE H A 12 ILE H 1.0 1.6 3.4 441 255 A 11 PHE HBy A 13 LEU HBy 1.0 1.6 3.8 442 255 A 11 PHE HBy A 13 LEU HBx 1.0 1.6 3.8 443 255 A 11 PHE HBx A 13 LEU HBy 1.0 1.6 3.8 444 255 A 11 PHE HBx A 13 LEU HBx 1.0 1.6 3.8 445 256 A 11 PHE HBy A 13 LEU HBy 1.0 1.5 3.7 446 256 A 11 PHE HBy A 13 LEU HBx 1.0 1.5 3.7 447 256 A 11 PHE HBx A 13 LEU HBy 1.0 1.5 3.7 448 256 A 11 PHE HBx A 13 LEU HBx 1.0 1.5 3.7 449 257 A 11 PHE HD% A 13 LEU HBy 1.0 1.6 3.2 450 257 A 11 PHE HD% A 13 LEU HBx 1.0 1.6 3.2 451 258 A 11 PHE HD% A 13 LEU HBy 1.0 1.7 3.5 452 258 A 11 PHE HD% A 13 LEU HBx 1.0 1.7 3.5 453 259 A 11 PHE HD% A 13 LEU HDy% 1.0 1.6 4.0 454 259 A 11 PHE HD% A 13 LEU HDx% 1.0 1.6 4.0 455 260 A 11 PHE HE% A 13 LEU HBy 1.0 1.8 4.8 456 260 A 11 PHE HE% A 13 LEU HBx 1.0 1.8 4.8 457 261 A 11 PHE H A 13 LEU HBy 1.0 1.8 3.6 458 261 A 11 PHE H A 13 LEU HBx 1.0 1.8 3.6 459 262 A 11 PHE H A 13 LEU H 1.0 1.8 3.6 460 263 A 11 PHE HA A 14 GLN HBy 1.0 1.6 3.4 461 263 A 11 PHE HA A 14 GLN HBx 1.0 1.6 3.4 462 264 A 11 PHE HA A 14 GLN HGx 1.0 1.6 3.4 463 264 A 11 PHE HA A 14 GLN HGy 1.0 1.6 3.4 464 265 A 11 PHE HA A 14 GLN HGx 1.0 2.9 5.9 465 265 A 11 PHE HA A 14 GLN HGy 1.0 2.9 5.9 466 266 A 11 PHE HD% A 14 GLN HBy 1.0 1.8 3.8 467 266 A 11 PHE HD% A 14 GLN HBx 1.0 1.8 3.8 468 267 A 11 PHE HD% A 14 GLN HGx 1.0 1.8 4.2 469 267 A 11 PHE HD% A 14 GLN HGy 1.0 1.8 4.2 470 268 A 12 ILE HA A 12 ILE HB 1.0 1.6 3.2 471 269 A 12 ILE HD1% A 12 ILE HA 1.0 1.6 3.2 472 270 A 12 ILE HG1y A 12 ILE HA 1.0 1.6 3.2 473 270 A 12 ILE HG1x A 12 ILE HA 1.0 1.6 3.2 474 271 A 12 ILE HG1x A 12 ILE HA 1.0 1.6 3.2 475 272 A 12 ILE HD1% A 12 ILE HA 1.0 1.5 3.1 476 272 A 12 ILE HG2% A 12 ILE HA 1.0 1.5 3.1 477 273 A 12 ILE HA A 12 ILE H 1.0 1.6 3.2 478 274 A 12 ILE HD1% A 12 ILE HB 1.0 1.6 3.2 479 275 A 12 ILE HG1y A 12 ILE HB 1.0 1.5 3.1 480 275 A 12 ILE HG1x A 12 ILE HB 1.0 1.5 3.1 481 276 A 12 ILE HG1x A 12 ILE HB 1.0 1.6 3.2 482 277 A 12 ILE HD1% A 12 ILE HB 1.0 1.5 3.1 483 277 A 12 ILE HG2% A 12 ILE HB 1.0 1.5 3.1 484 278 A 12 ILE H A 12 ILE HB 1.0 1.6 3.2 485 279 A 12 ILE HD1% A 12 ILE HG1y 1.0 1.5 3.1 486 279 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.5 3.1 487 280 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.5 3.1 488 281 A 12 ILE HD1% A 12 ILE H 1.0 1.6 3.4 489 282 A 12 ILE HG1y A 12 ILE HG2% 1.0 1.6 3.2 490 282 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.6 3.2 491 282 A 12 ILE HG1x A 12 ILE HG2% 1.0 1.6 3.2 492 282 A 12 ILE HD1% A 12 ILE HG1y 1.0 1.6 3.2 493 283 A 12 ILE HG1y A 12 ILE H 1.0 1.6 3.2 494 283 A 12 ILE HG1x A 12 ILE H 1.0 1.6 3.2 495 284 A 12 ILE HD1% A 12 ILE H 1.0 1.6 3.2 496 284 A 12 ILE HG2% A 12 ILE H 1.0 1.6 3.2 497 285 A 12 ILE HG1x A 12 ILE HG1y 1.0 1.5 3.1 498 286 A 12 ILE HD1% A 12 ILE HG1x 1.0 1.5 3.1 499 286 A 12 ILE HG1x A 12 ILE HG2% 1.0 1.5 3.1 500 287 A 12 ILE HG1x A 12 ILE H 1.0 1.6 3.2 501 288 A 12 ILE HA A 13 LEU HA 1.0 1.6 4.2 502 289 A 12 ILE HA A 13 LEU HBy 1.0 1.6 4.0 503 289 A 12 ILE HA A 13 LEU HBx 1.0 1.6 4.0 504 290 A 12 ILE HA A 13 LEU HBy 1.0 1.6 4.0 505 290 A 12 ILE HA A 13 LEU HBx 1.0 1.6 4.0 506 291 A 12 ILE HA A 13 LEU HDy% 1.0 1.6 3.4 507 291 A 12 ILE HA A 13 LEU HDx% 1.0 1.6 3.4 508 292 A 12 ILE HA A 13 LEU H 1.0 1.6 3.2 509 293 A 13 LEU HBy A 12 ILE HB 1.0 1.6 3.2 510 293 A 13 LEU HBx A 12 ILE HB 1.0 1.6 3.2 511 294 A 12 ILE HB A 13 LEU HDy% 1.0 1.6 3.2 512 294 A 12 ILE HB A 13 LEU HDx% 1.0 1.6 3.2 513 295 A 12 ILE HB A 13 LEU H 1.0 1.6 3.2 514 296 A 12 ILE HD1% A 13 LEU HA 1.0 1.7 3.7 515 297 A 12 ILE HD1% A 13 LEU H 1.0 1.7 3.5 516 298 A 12 ILE HG1y A 13 LEU H 1.0 1.6 3.4 517 298 A 12 ILE HG1x A 13 LEU H 1.0 1.6 3.4 518 299 A 12 ILE HD1% A 13 LEU H 1.0 1.6 3.4 519 299 A 12 ILE HG2% A 13 LEU H 1.0 1.6 3.4 520 300 A 12 ILE HG1x A 13 LEU HA 1.0 1.6 5.5 521 301 A 12 ILE HG1x A 13 LEU H 1.0 1.7 3.5 522 302 A 12 ILE H A 13 LEU HA 1.0 1.8 4.0 523 303 A 12 ILE H A 13 LEU HBy 1.0 1.6 3.4 524 303 A 12 ILE H A 13 LEU HBx 1.0 1.6 3.4 525 304 A 12 ILE H A 13 LEU HBy 1.0 1.6 3.4 526 304 A 12 ILE H A 13 LEU HBx 1.0 1.6 3.4 527 305 A 12 ILE H A 13 LEU HDy% 1.0 1.8 3.8 528 305 A 12 ILE H A 13 LEU HDx% 1.0 1.8 3.8 529 306 A 12 ILE H A 13 LEU H 1.0 1.6 3.4 530 307 A 12 ILE HA A 14 GLN H 1.0 1.7 3.8 531 308 A 13 LEU HBy A 13 LEU HA 1.0 1.5 3.1 532 308 A 13 LEU HBx A 13 LEU HA 1.0 1.5 3.1 533 309 A 13 LEU HBy A 13 LEU HA 1.0 1.5 3.1 534 309 A 13 LEU HBx A 13 LEU HA 1.0 1.5 3.1 535 310 A 13 LEU HDy% A 13 LEU HA 1.0 1.6 3.2 536 310 A 13 LEU HDx% A 13 LEU HA 1.0 1.6 3.2 537 311 A 13 LEU HDy% A 13 LEU HA 1.0 1.5 3.1 538 311 A 13 LEU HDx% A 13 LEU HA 1.0 1.5 3.1 539 312 A 13 LEU H A 13 LEU HA 1.0 1.6 3.2 540 313 A 13 LEU HBy A 13 LEU HDx% 1.0 1.6 3.2 541 313 A 13 LEU HBy A 13 LEU HDy% 1.0 1.6 3.2 542 313 A 13 LEU HBx A 13 LEU HDy% 1.0 1.6 3.2 543 313 A 13 LEU HBx A 13 LEU HDx% 1.0 1.6 3.2 544 314 A 13 LEU HBy A 13 LEU H 1.0 1.6 3.2 545 314 A 13 LEU HBx A 13 LEU H 1.0 1.6 3.2 546 315 A 13 LEU HBy A 13 LEU HDx% 1.0 1.5 3.1 547 315 A 13 LEU HBy A 13 LEU HDy% 1.0 1.5 3.1 548 315 A 13 LEU HBx A 13 LEU HDy% 1.0 1.5 3.1 549 315 A 13 LEU HBx A 13 LEU HDx% 1.0 1.5 3.1 550 316 A 13 LEU HBy A 13 LEU HDx% 1.0 1.5 3.1 551 316 A 13 LEU HBy A 13 LEU HDy% 1.0 1.5 3.1 552 316 A 13 LEU HBx A 13 LEU HDy% 1.0 1.5 3.1 553 316 A 13 LEU HBx A 13 LEU HDx% 1.0 1.5 3.1 554 317 A 13 LEU HBy A 13 LEU H 1.0 1.6 3.2 555 317 A 13 LEU HBx A 13 LEU H 1.0 1.6 3.2 556 318 A 13 LEU HDy% A 13 LEU H 1.0 1.6 3.4 557 318 A 13 LEU HDx% A 13 LEU H 1.0 1.6 3.4 558 319 A 13 LEU HDy% A 13 LEU H 1.0 1.6 3.2 559 319 A 13 LEU HDx% A 13 LEU H 1.0 1.6 3.2 560 320 A 13 LEU HBy A 14 GLN HGx 1.0 1.7 3.5 561 320 A 13 LEU HBy A 14 GLN HGy 1.0 1.7 3.5 562 320 A 13 LEU HBx A 14 GLN HGx 1.0 1.7 3.5 563 320 A 13 LEU HBx A 14 GLN HGy 1.0 1.7 3.5 564 321 A 13 LEU HBy A 14 GLN HGx 1.0 1.8 3.6 565 321 A 13 LEU HBy A 14 GLN HGy 1.0 1.8 3.6 566 321 A 13 LEU HBx A 14 GLN HGx 1.0 1.8 3.6 567 321 A 13 LEU HBx A 14 GLN HGy 1.0 1.8 3.6 568 322 A 13 LEU HBy A 14 GLN H 1.0 1.6 3.4 569 322 A 13 LEU HBx A 14 GLN H 1.0 1.6 3.4 570 323 A 13 LEU HBy A 14 GLN HGx 1.0 1.8 3.8 571 323 A 13 LEU HBy A 14 GLN HGy 1.0 1.8 3.8 572 323 A 13 LEU HBx A 14 GLN HGx 1.0 1.8 3.8 573 323 A 13 LEU HBx A 14 GLN HGy 1.0 1.8 3.8 574 324 A 13 LEU HBy A 14 GLN H 1.0 1.6 3.2 575 324 A 13 LEU HBx A 14 GLN H 1.0 1.6 3.2 576 325 A 13 LEU HDy% A 14 GLN HGx 1.0 1.7 3.7 577 325 A 13 LEU HDy% A 14 GLN HGy 1.0 1.7 3.7 578 325 A 13 LEU HDx% A 14 GLN HGx 1.0 1.7 3.7 579 325 A 13 LEU HDx% A 14 GLN HGy 1.0 1.7 3.7 580 326 A 13 LEU HDy% A 14 GLN H 1.0 1.7 3.5 581 326 A 13 LEU HDx% A 14 GLN H 1.0 1.7 3.5 582 327 A 13 LEU HDy% A 14 GLN HGx 1.0 2.5 5.1 583 327 A 13 LEU HDy% A 14 GLN HGy 1.0 2.5 5.1 584 327 A 13 LEU HDx% A 14 GLN HGx 1.0 2.5 5.1 585 327 A 13 LEU HDx% A 14 GLN HGy 1.0 2.5 5.1 586 328 A 13 LEU HDy% A 14 GLN HGx 1.0 1.8 3.6 587 328 A 13 LEU HDy% A 14 GLN HGy 1.0 1.8 3.6 588 328 A 13 LEU HDx% A 14 GLN HGx 1.0 1.8 3.6 589 328 A 13 LEU HDx% A 14 GLN HGy 1.0 1.8 3.6 590 329 A 13 LEU HDy% A 14 GLN H 1.0 1.6 3.4 591 329 A 13 LEU HDx% A 14 GLN H 1.0 1.6 3.4 592 330 A 13 LEU H A 14 GLN H 1.0 1.6 3.2 593 331 A 13 LEU HA A 16 LYS HBy 1.0 1.6 3.2 594 331 A 13 LEU HA A 16 LYS HBx 1.0 1.6 3.2 595 332 A 13 LEU HA A 17 LYS H 1.0 1.7 3.5 596 333 A 14 GLN HBy A 14 GLN HA 1.0 1.5 3.1 597 333 A 14 GLN HBx A 14 GLN HA 1.0 1.5 3.1 598 334 A 14 GLN HBy A 14 GLN HA 1.0 1.5 3.1 599 334 A 14 GLN HBx A 14 GLN HA 1.0 1.5 3.1 600 335 A 14 GLN HGx A 14 GLN HA 1.0 1.6 3.2 601 335 A 14 GLN HGy A 14 GLN HA 1.0 1.6 3.2 602 336 A 14 GLN HGx A 14 GLN HA 1.0 1.6 3.2 603 336 A 14 GLN HGy A 14 GLN HA 1.0 1.6 3.2 604 337 A 14 GLN H A 14 GLN HA 1.0 1.5 3.1 605 338 A 14 GLN HBy A 14 GLN HGy 1.0 1.5 3.1 606 338 A 14 GLN HBx A 14 GLN HGx 1.0 1.5 3.1 607 338 A 14 GLN HBx A 14 GLN HGy 1.0 1.5 3.1 608 338 A 14 GLN HBy A 14 GLN HGx 1.0 1.5 3.1 609 339 A 14 GLN HBy A 14 GLN H 1.0 1.6 3.2 610 339 A 14 GLN HBx A 14 GLN H 1.0 1.6 3.2 611 340 A 14 GLN HBy A 14 GLN HGy 1.0 1.5 3.1 612 340 A 14 GLN HBx A 14 GLN HGx 1.0 1.5 3.1 613 340 A 14 GLN HBx A 14 GLN HGy 1.0 1.5 3.1 614 340 A 14 GLN HBy A 14 GLN HGx 1.0 1.5 3.1 615 341 A 14 GLN HBy A 14 GLN HGy 1.0 1.5 3.1 616 341 A 14 GLN HBx A 14 GLN HGx 1.0 1.5 3.1 617 341 A 14 GLN HBx A 14 GLN HGy 1.0 1.5 3.1 618 341 A 14 GLN HBy A 14 GLN HGx 1.0 1.5 3.1 619 342 A 14 GLN HBy A 14 GLN H 1.0 1.6 3.2 620 342 A 14 GLN HBx A 14 GLN H 1.0 1.6 3.2 621 343 A 14 GLN HGx A 14 GLN H 1.0 1.6 3.4 622 343 A 14 GLN HGy A 14 GLN H 1.0 1.6 3.4 623 344 A 14 GLN HGx A 14 GLN H 1.0 1.6 3.2 624 344 A 14 GLN HGy A 14 GLN H 1.0 1.6 3.2 625 345 A 14 GLN HA A 15 ARG HBy 1.0 1.6 4.9 626 345 A 14 GLN HA A 15 ARG HBx 1.0 1.6 4.9 627 346 A 14 GLN HA A 15 ARG H 1.0 1.6 3.2 628 347 A 14 GLN HBy A 15 ARG HA 1.0 1.6 3.4 629 347 A 14 GLN HBx A 15 ARG HA 1.0 1.6 3.4 630 348 A 14 GLN HBy A 15 ARG H 1.0 1.7 3.5 631 348 A 14 GLN HBx A 15 ARG H 1.0 1.7 3.5 632 349 A 14 GLN HBy A 15 ARG H 1.0 1.6 3.4 633 349 A 14 GLN HBx A 15 ARG H 1.0 1.6 3.4 634 350 A 14 GLN HGx A 15 ARG HA 1.0 1.6 3.4 635 350 A 14 GLN HGy A 15 ARG HA 1.0 1.6 3.4 636 351 A 14 GLN HGx A 15 ARG H 1.0 1.9 3.9 637 351 A 14 GLN HGy A 15 ARG H 1.0 1.9 3.9 638 352 A 14 GLN HGx A 15 ARG HGx 1.0 1.6 3.2 639 352 A 14 GLN HGy A 15 ARG HGx 1.0 1.6 3.2 640 352 A 14 GLN HGx A 15 ARG HGy 1.0 1.6 3.2 641 352 A 14 GLN HGy A 15 ARG HGy 1.0 1.6 3.2 642 353 A 14 GLN HGx A 15 ARG H 1.0 1.6 3.4 643 353 A 14 GLN HGy A 15 ARG H 1.0 1.6 3.4 644 354 A 14 GLN H A 15 ARG H 1.0 1.6 3.4 645 355 A 15 ARG HBy A 15 ARG HA 1.0 1.6 3.4 646 355 A 15 ARG HBx A 15 ARG HA 1.0 1.6 3.4 647 356 A 15 ARG HBy A 15 ARG HA 1.0 1.6 3.2 648 356 A 15 ARG HBx A 15 ARG HA 1.0 1.6 3.2 649 357 A 15 ARG HA A 15 ARG HGx 1.0 1.6 3.2 650 357 A 15 ARG HA A 15 ARG HGy 1.0 1.6 3.2 651 358 A 15 ARG H A 15 ARG HA 1.0 1.6 3.2 652 359 A 15 ARG HBy A 15 ARG H 1.0 1.6 3.2 653 359 A 15 ARG HBx A 15 ARG H 1.0 1.6 3.2 654 360 A 15 ARG HBy A 15 ARG H 1.0 1.6 3.2 655 360 A 15 ARG HBx A 15 ARG H 1.0 1.6 3.2 656 361 A 15 ARG H A 15 ARG HGx 1.0 1.6 3.2 657 361 A 15 ARG H A 15 ARG HGy 1.0 1.6 3.2 658 362 A 15 ARG HA A 16 LYS H 1.0 1.5 3.1 659 363 A 16 LYS H A 15 ARG HGx 1.0 1.7 3.5 660 363 A 15 ARG HGy A 16 LYS H 1.0 1.7 3.5 661 364 A 15 ARG H A 16 LYS H 1.0 1.7 3.5 662 365 A 17 LYS H A 15 ARG HGx 1.0 1.6 3.4 663 365 A 17 LYS H A 15 ARG HGy 1.0 1.6 3.4 664 366 A 16 LYS HBy A 16 LYS HA 1.0 1.5 3.1 665 366 A 16 LYS HBx A 16 LYS HA 1.0 1.5 3.1 666 367 A 16 LYS HBy A 16 LYS HA 1.0 1.6 3.2 667 367 A 16 LYS HBx A 16 LYS HA 1.0 1.6 3.2 668 368 A 16 LYS HA A 16 LYS HGx 1.0 1.6 3.2 669 368 A 16 LYS HA A 16 LYS HGy 1.0 1.6 3.2 670 369 A 16 LYS H A 16 LYS HA 1.0 1.5 3.1 671 370 A 16 LYS HBy A 16 LYS HGx 1.0 1.5 3.1 672 370 A 16 LYS HBx A 16 LYS HGx 1.0 1.5 3.1 673 370 A 16 LYS HBy A 16 LYS HGy 1.0 1.5 3.1 674 370 A 16 LYS HBx A 16 LYS HGy 1.0 1.5 3.1 675 371 A 16 LYS HBy A 16 LYS H 1.0 1.6 3.2 676 371 A 16 LYS HBx A 16 LYS H 1.0 1.6 3.2 677 372 A 16 LYS HBy A 16 LYS H 1.0 1.6 3.4 678 372 A 16 LYS HBx A 16 LYS H 1.0 1.6 3.4 679 373 A 16 LYS H A 16 LYS HGx 1.0 1.6 3.4 680 373 A 16 LYS H A 16 LYS HGy 1.0 1.6 3.4 681 374 A 17 LYS H A 16 LYS HA 1.0 1.5 3.1 682 375 A 16 LYS HBy A 17 LYS H 1.0 1.6 3.4 683 375 A 16 LYS HBx A 17 LYS H 1.0 1.6 3.4 684 376 A 16 LYS HBy A 17 LYS H 1.0 1.5 3.1 685 376 A 16 LYS HBx A 17 LYS H 1.0 1.5 3.1 686 377 A 17 LYS H A 16 LYS HGx 1.0 1.5 3.1 687 377 A 17 LYS H A 16 LYS HGy 1.0 1.5 3.1 688 378 A 16 LYS H A 17 LYS HBy 1.0 1.6 3.4 689 378 A 16 LYS H A 17 LYS HBx 1.0 1.6 3.4 690 379 A 17 LYS H A 16 LYS H 1.0 1.6 3.4 691 380 A 17 LYS HBy A 17 LYS HA 1.0 1.6 3.2 692 380 A 17 LYS HBx A 17 LYS HA 1.0 1.6 3.2 693 381 A 17 LYS HBy A 17 LYS HA 1.0 1.6 3.2 694 381 A 17 LYS HBx A 17 LYS HA 1.0 1.6 3.2 695 382 A 17 LYS HA A 17 LYS HGx 1.0 1.6 3.4 696 382 A 17 LYS HA A 17 LYS HGy 1.0 1.6 3.4 697 383 A 17 LYS H A 17 LYS HA 1.0 1.6 3.2 698 384 A 17 LYS HBy A 17 LYS HGx 1.0 1.6 3.2 699 384 A 17 LYS HBx A 17 LYS HGx 1.0 1.6 3.2 700 384 A 17 LYS HBy A 17 LYS HGy 1.0 1.6 3.2 701 384 A 17 LYS HBx A 17 LYS HGy 1.0 1.6 3.2 702 385 A 17 LYS H A 17 LYS HBy 1.0 1.5 3.1 703 385 A 17 LYS H A 17 LYS HBx 1.0 1.5 3.1 704 386 A 17 LYS HBy A 17 LYS HGx 1.0 1.6 3.2 705 386 A 17 LYS HBx A 17 LYS HGx 1.0 1.6 3.2 706 386 A 17 LYS HBy A 17 LYS HGy 1.0 1.6 3.2 707 386 A 17 LYS HBx A 17 LYS HGy 1.0 1.6 3.2 708 387 A 17 LYS H A 17 LYS HBy 1.0 1.6 3.2 709 387 A 17 LYS H A 17 LYS HBx 1.0 1.6 3.2 710 388 A 17 LYS H A 17 LYS HGx 1.0 1.6 3.2 711 388 A 17 LYS H A 17 LYS HGy 1.0 1.6 3.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 LEU N A 4 LEU CA A 4 LEU CB A 4 LEU CG 1.0 -90.0 -30.0 CHI1 2 2 A 13 LEU N A 13 LEU CA A 13 LEU CB A 13 LEU CG 1.0 -90.0 -30.0 CHI1 3 3 A 11 PHE C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -88.9 -48.9 PHI 4 4 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 LEU N 1.0 -55.8 -15.8 PSI 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_