data_nef_c30482_6dul 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 6DUL 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 14 LEU C 1 15 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ILE start . . 2 A 2 ASN middle . . 3 A 3 LEU middle . . 4 A 4 LYS middle . . 5 A 5 ALA middle . . 6 A 6 LEU middle . . 7 A 7 ALA middle . . 8 A 8 ALA middle . . 9 A 9 LEU middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle -OXT . 15 A 15 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ILE H1 H 1 7.9660 . A 1 ILE HA H 1 4.7710 . A 1 ILE HB H 1 1.8770 . A 1 ILE HG12 H 1 1.4560 . A 1 ILE N N 15 118.7500 . A 2 ASN H H 1 8.3590 . A 2 ASN HA H 1 4.9560 . A 2 ASN HB2 H 1 3.1090 . A 2 ASN HB3 H 1 2.8010 . A 2 ASN HD21 H 1 7.5200 . A 2 ASN HD22 H 1 6.9290 . A 2 ASN CA C 13 51.8950 . A 2 ASN CB C 13 38.5090 . A 2 ASN N N 15 123.7750 . A 2 ASN ND2 N 15 112.3360 . A 3 LEU H H 1 8.4950 . A 3 LEU HA H 1 4.0170 . A 3 LEU HB2 H 1 1.8800 . A 3 LEU HB3 H 1 1.7950 . A 3 LEU HD1% H 1 0.9820 . A 3 LEU HD2% H 1 0.8610 . A 3 LEU HG H 1 1.5460 . A 3 LEU CA C 13 58.0450 . A 3 LEU CB C 13 41.9620 . A 3 LEU N N 15 124.4140 . A 4 LYS H H 1 8.1230 . A 4 LYS HA H 1 3.9490 . A 4 LYS HB2 H 1 1.8690 . A 4 LYS HB3 H 1 1.7530 . A 4 LYS HD2 H 1 1.4120 . A 4 LYS HD3 H 1 1.4500 . A 4 LYS HEx H 1 3.0040 . A 4 LYS HEy H 1 3.0120 . A 4 LYS HG3 H 1 1.6120 . A 4 LYS HZ1 H 1 7.4120 . A 4 LYS HZ2 H 1 7.4120 . A 4 LYS HZ3 H 1 7.4120 . A 4 LYS CA C 13 59.9500 . A 4 LYS N N 15 118.0190 . A 5 ALA H H 1 7.6970 . A 5 ALA HA H 1 4.1540 . A 5 ALA HB% H 1 1.4580 . A 5 ALA CA C 13 54.6700 . A 5 ALA N N 15 122.2700 . A 6 LEU H H 1 7.7230 . A 6 LEU HA H 1 4.0920 . A 6 LEU HB2 H 1 1.8210 . A 6 LEU HB3 H 1 1.8210 . A 6 LEU HD1% H 1 0.8960 . A 6 LEU HG H 1 1.6600 . A 6 LEU CA C 13 57.8260 . A 6 LEU N N 15 119.5740 . A 7 ALA H H 1 8.2910 . A 7 ALA HA H 1 3.9400 . A 7 ALA HB% H 1 1.4900 . A 7 ALA CA C 13 55.3500 . A 7 ALA N N 15 120.9460 . A 8 ALA H H 1 7.7080 . A 8 ALA HA H 1 4.0330 . A 8 ALA HB% H 1 1.4790 . A 8 ALA CA C 13 55.1470 . A 8 ALA N N 15 118.7100 . A 9 LEU H H 1 7.7120 . A 9 LEU HA H 1 4.1010 . A 9 LEU HB2 H 1 1.8380 . A 9 LEU HB3 H 1 1.7590 . A 9 LEU HD1% H 1 0.9220 . A 9 LEU HD2% H 1 0.8780 . A 9 LEU HG H 1 1.6600 . A 9 LEU CA C 13 57.8620 . A 9 LEU N N 15 119.0330 . A 10 ALA H H 1 8.3460 . A 10 ALA HA H 1 3.9000 . A 10 ALA HB% H 1 1.4530 . A 10 ALA CA C 13 55.3920 . A 10 ALA N N 15 120.7140 . A 11 LYS H H 1 7.9480 . A 11 LYS HA H 1 3.9140 . A 11 LYS HB2 H 1 1.9140 . A 11 LYS HB3 H 1 1.8280 . A 11 LYS HE2 H 1 2.9480 . A 11 LYS HE3 H 1 2.9320 . A 11 LYS HG2 H 1 1.6640 . A 11 LYS HG3 H 1 1.6570 . A 11 LYS HZ1 H 1 7.4340 . A 11 LYS HZ2 H 1 7.4340 . A 11 LYS HZ3 H 1 7.4340 . A 11 LYS CA C 13 59.2100 . A 11 LYS CB C 13 32.2450 . A 11 LYS CG C 13 25.8300 . A 11 LYS N N 15 114.3400 . A 12 LYS H H 1 7.5370 . A 12 LYS HA H 1 4.1460 . A 12 LYS HB2 H 1 2.0160 . A 12 LYS HB3 H 1 1.6880 . A 12 LYS HD2 H 1 1.4560 . A 12 LYS HD3 H 1 1.4640 . A 12 LYS HE2 H 1 2.9910 . A 12 LYS HE3 H 1 2.9730 . A 12 LYS HGx H 1 1.6420 . A 12 LYS HGy H 1 1.6420 . A 12 LYS HZ1 H 1 7.4660 . A 12 LYS HZ2 H 1 7.4660 . A 12 LYS HZ3 H 1 7.4660 . A 12 LYS CA C 13 58.3400 . A 12 LYS CB C 13 32.9420 . A 12 LYS N N 15 117.1550 . A 13 ILE H H 1 7.6370 . A 13 ILE HA H 1 4.1590 . A 13 ILE HB H 1 1.9070 . A 13 ILE HD1% H 1 0.8580 . A 13 ILE HG12 H 1 1.3340 . A 13 ILE HG13 H 1 1.5600 . A 13 ILE HG2% H 1 0.9330 . A 13 ILE CA C 13 62.3730 . A 13 ILE N N 15 115.3200 . A 14 LEU HA H 1 4.3990 . A 14 LEU HB2 H 1 1.8010 . A 14 LEU HB3 H 1 1.6060 . A 14 LEU HD1% H 1 0.8950 . A 14 LEU HD2% H 1 0.8820 . A 14 LEU HG H 1 1.8010 . A 14 LEU CA C 13 53.9500 . A 14 LEU CB C 13 41.9880 . A 14 LEU CG C 13 27.2880 . A 14 LEU N N 15 119.6370 . A 15 NH2 HN1 H 1 7.8200 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ILE HG12 A 1 ILE HB 1.0 1.8 2.8 2 2 A 1 ILE H1 A 1 ILE HA 1.0 1.8 5.0 3 3 A 2 ASN H A 2 ASN HA 1.0 1.8 5.0 4 4 A 2 ASN HD22 A 2 ASN HB2 1.0 1.8 5.0 5 4 A 2 ASN HD22 A 2 ASN HB3 1.0 1.8 5.0 6 5 A 2 ASN HD21 A 2 ASN HB2 1.0 1.8 5.0 7 5 A 2 ASN HB3 A 2 ASN HD21 1.0 1.8 5.0 8 6 A 2 ASN HA A 2 ASN HD22 1.0 1.8 5.0 9 7 A 2 ASN HA A 2 ASN HD21 1.0 1.8 5.0 10 8 A 2 ASN H A 2 ASN HD22 1.0 1.8 5.0 11 9 A 2 ASN H A 2 ASN HB2 1.0 1.8 5.0 12 9 A 2 ASN H A 2 ASN HB3 1.0 1.8 5.0 13 10 A 2 ASN HA A 2 ASN HB2 1.0 1.8 3.4 14 10 A 2 ASN HA A 2 ASN HB3 1.0 1.8 3.4 15 11 A 2 ASN H A 2 ASN HB2 1.0 1.8 5.0 16 11 A 2 ASN H A 2 ASN HB3 1.0 1.8 5.0 17 12 A 3 LEU H A 3 LEU HA 1.0 1.8 3.4 18 13 A 3 LEU H A 3 LEU HD1% 1.0 1.8 5.0 19 13 A 3 LEU H A 3 LEU HD2% 1.0 1.8 5.0 20 14 A 3 LEU H A 3 LEU HB3 1.0 1.8 5.0 21 14 A 3 LEU H A 3 LEU HB2 1.0 1.8 5.0 22 15 A 3 LEU H A 3 LEU HB2 1.0 1.8 2.8 23 16 A 3 LEU H A 3 LEU HG 1.0 1.8 5.0 24 17 A 3 LEU HA A 3 LEU HB2 1.0 1.8 2.8 25 18 A 3 LEU HA A 3 LEU HB3 1.0 1.8 2.8 26 18 A 3 LEU HA A 3 LEU HB2 1.0 1.8 2.8 27 19 A 3 LEU HA A 3 LEU HD1% 1.0 1.8 5.0 28 19 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 5.0 29 20 A 3 LEU HG A 3 LEU HB3 1.0 1.8 2.8 30 20 A 3 LEU HB2 A 3 LEU HG 1.0 1.8 2.8 31 21 A 3 LEU HA A 3 LEU HD1% 1.0 1.8 5.0 32 21 A 3 LEU HA A 3 LEU HD2% 1.0 1.8 5.0 33 22 A 3 LEU HA A 3 LEU HB2 1.0 1.8 2.8 34 23 A 3 LEU H A 3 LEU HB3 1.0 1.8 5.0 35 23 A 3 LEU H A 3 LEU HB2 1.0 1.8 5.0 36 24 A 3 LEU H A 3 LEU HB2 1.0 1.8 5.0 37 25 A 3 LEU H A 3 LEU HG 1.0 1.8 5.0 38 26 A 3 LEU H A 3 LEU HD1% 1.0 1.8 5.0 39 26 A 3 LEU H A 3 LEU HD2% 1.0 1.8 5.0 40 27 A 3 LEU H A 3 LEU HA 1.0 1.8 5.0 41 28 A 4 LYS H A 4 LYS HA 1.0 1.8 3.4 42 29 A 4 LYS H A 4 LYS HEy 1.0 1.8 5.0 43 29 A 4 LYS H A 4 LYS HEx 1.0 1.8 5.0 44 30 A 4 LYS H A 4 LYS HB3 1.0 1.8 2.8 45 30 A 4 LYS H A 4 LYS HB2 1.0 1.8 2.8 46 31 A 4 LYS H A 4 LYS HB2 1.0 1.8 3.4 47 32 A 4 LYS H A 4 LYS HGx 1.0 1.8 5.0 48 33 A 4 LYS H A 4 LYS HD2 1.0 1.8 5.0 49 34 A 4 LYS HEx A 4 LYS HZ% 1.0 1.8 3.4 50 35 A 4 LYS HA A 4 LYS HD3 1.0 1.8 5.0 51 36 A 4 LYS HEx A 4 LYS HGx 1.0 1.8 2.8 52 37 A 4 LYS HB2 A 4 LYS HEy 1.0 1.8 5.0 53 37 A 4 LYS HB3 A 4 LYS HEy 1.0 1.8 5.0 54 37 A 4 LYS HEx A 4 LYS HB3 1.0 1.8 5.0 55 37 A 4 LYS HEx A 4 LYS HB2 1.0 1.8 5.0 56 38 A 4 LYS HEx A 4 LYS HB2 1.0 1.8 5.0 57 38 A 4 LYS HB2 A 4 LYS HEy 1.0 1.8 5.0 58 39 A 4 LYS HA A 4 LYS HD2 1.0 1.8 5.0 59 40 A 4 LYS HZ% A 4 LYS HEy 1.0 1.8 2.8 60 40 A 4 LYS HEx A 4 LYS HZ% 1.0 1.8 2.8 61 41 A 4 LYS H A 4 LYS HA 1.0 1.8 5.0 62 42 A 4 LYS H A 4 LYS HB3 1.0 1.8 2.8 63 42 A 4 LYS H A 4 LYS HB2 1.0 1.8 2.8 64 43 A 4 LYS H A 4 LYS HB2 1.0 1.8 5.0 65 44 A 4 LYS H A 4 LYS HGx 1.0 1.8 5.0 66 45 A 4 LYS H A 4 LYS HD2 1.0 1.8 5.0 67 46 A 5 ALA H A 5 ALA HA 1.0 1.8 2.8 68 47 A 5 ALA H A 5 ALA HA 1.0 1.8 3.4 69 48 A 6 LEU HG A 6 LEU HA 1.0 1.8 3.4 70 49 A 6 LEU HA A 6 LEU HD1% 1.0 1.8 3.4 71 49 A 6 LEU HA A 6 LEU HD21 1.0 1.8 3.4 72 50 A 6 LEU HG A 6 LEU HA 1.0 1.8 3.4 73 51 A 6 LEU HA A 6 LEU H 1.0 1.8 2.8 74 52 A 6 LEU H A 6 LEU HB2 1.0 1.8 2.8 75 52 A 6 LEU H A 6 LEU HB3 1.0 1.8 2.8 76 53 A 6 LEU HG A 6 LEU H 1.0 1.8 3.4 77 54 A 7 ALA H A 7 ALA HA 1.0 1.8 3.4 78 55 A 7 ALA H A 7 ALA HB% 1.0 1.8 2.8 79 56 A 7 ALA H A 7 ALA HB% 1.0 1.8 2.8 80 57 A 8 ALA H A 8 ALA HA 1.0 1.8 3.4 81 58 A 8 ALA H A 8 ALA HA 1.0 1.8 3.4 82 59 A 8 ALA H A 8 ALA HB% 1.0 1.8 2.8 83 60 A 9 LEU H A 9 LEU HA 1.0 1.8 3.4 84 61 A 9 LEU H A 9 LEU HB2 1.0 1.8 3.4 85 61 A 9 LEU H A 9 LEU HB3 1.0 1.8 3.4 86 62 A 9 LEU H A 9 LEU HG 1.0 1.8 2.8 87 63 A 9 LEU H A 9 LEU HD1% 1.0 1.8 5.0 88 64 A 9 LEU HA A 9 LEU HB2 1.0 1.8 3.4 89 64 A 9 LEU HA A 9 LEU HB3 1.0 1.8 3.4 90 65 A 9 LEU HA A 9 LEU HD1% 1.0 1.8 5.0 91 66 A 9 LEU HA A 9 LEU HB2 1.0 1.8 3.4 92 66 A 9 LEU HA A 9 LEU HB3 1.0 1.8 3.4 93 67 A 9 LEU H A 9 LEU HB2 1.0 1.8 3.4 94 67 A 9 LEU H A 9 LEU HB3 1.0 1.8 3.4 95 68 A 9 LEU H A 9 LEU HD1% 1.0 1.8 5.0 96 69 A 10 ALA H A 10 ALA HA 1.0 1.8 3.4 97 70 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 98 71 A 10 ALA H A 10 ALA HA 1.0 1.8 5.0 99 72 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 100 73 A 11 LYS H A 11 LYS HA 1.0 1.8 3.4 101 74 A 11 LYS H A 11 LYS HB3 1.0 1.8 3.4 102 74 A 11 LYS H A 11 LYS HB2 1.0 1.8 3.4 103 75 A 11 LYS H A 11 LYS HB2 1.0 1.8 3.4 104 76 A 11 LYS H A 11 LYS HG2 1.0 1.8 5.0 105 77 A 11 LYS HZ% A 11 LYS HE2 1.0 1.8 2.8 106 77 A 11 LYS HZ% A 11 LYS HE3 1.0 1.8 2.8 107 78 A 11 LYS HA A 11 LYS HB3 1.0 1.8 2.8 108 78 A 11 LYS HA A 11 LYS HB2 1.0 1.8 2.8 109 79 A 11 LYS HA A 11 LYS HB2 1.0 1.8 2.8 110 80 A 11 LYS HA A 11 LYS HG3 1.0 1.8 3.4 111 80 A 11 LYS HA A 11 LYS HG2 1.0 1.8 3.4 112 81 A 11 LYS HB2 A 11 LYS HE2 1.0 1.8 5.0 113 81 A 11 LYS HB3 A 11 LYS HE2 1.0 1.8 5.0 114 81 A 11 LYS HE3 A 11 LYS HB3 1.0 1.8 5.0 115 81 A 11 LYS HB2 A 11 LYS HE3 1.0 1.8 5.0 116 82 A 11 LYS HE3 A 11 LYS HG2 1.0 1.8 2.8 117 82 A 11 LYS HG2 A 11 LYS HE2 1.0 1.8 2.8 118 83 A 11 LYS HA A 11 LYS HB3 1.0 1.8 2.8 119 83 A 11 LYS HA A 11 LYS HB2 1.0 1.8 2.8 120 84 A 11 LYS HA A 11 LYS HB2 1.0 1.8 2.8 121 85 A 11 LYS HA A 11 LYS HG3 1.0 1.8 3.4 122 85 A 11 LYS HA A 11 LYS HG2 1.0 1.8 3.4 123 86 A 11 LYS HZ% A 11 LYS HE2 1.0 1.8 2.8 124 86 A 11 LYS HZ% A 11 LYS HE3 1.0 1.8 2.8 125 87 A 11 LYS H A 11 LYS HA 1.0 1.8 5.0 126 88 A 11 LYS H A 11 LYS HG3 1.0 1.8 5.0 127 88 A 11 LYS H A 11 LYS HG2 1.0 1.8 5.0 128 89 A 11 LYS H A 11 LYS HB2 1.0 1.8 3.4 129 90 A 11 LYS H A 11 LYS HB3 1.0 1.8 5.0 130 90 A 11 LYS H A 11 LYS HB2 1.0 1.8 5.0 131 91 A 12 LYS H A 12 LYS HA 1.0 1.8 2.8 132 92 A 12 LYS H A 12 LYS HB3 1.0 1.8 3.4 133 92 A 12 LYS H A 12 LYS HB2 1.0 1.8 3.4 134 93 A 12 LYS H A 12 LYS HD2 1.0 1.8 5.0 135 94 A 12 LYS HZ% A 12 LYS HE2 1.0 1.8 5.0 136 94 A 12 LYS HZ% A 12 LYS HE3 1.0 1.8 5.0 137 95 A 12 LYS HA A 12 LYS HE2 1.0 1.8 5.0 138 95 A 12 LYS HA A 12 LYS HE3 1.0 1.8 5.0 139 96 A 12 LYS HA A 12 LYS HB3 1.0 1.8 2.8 140 96 A 12 LYS HA A 12 LYS HB2 1.0 1.8 2.8 141 97 A 12 LYS HA A 12 LYS HGx 1.0 1.8 3.4 142 97 A 12 LYS HA A 12 LYS HGy 1.0 1.8 3.4 143 98 A 12 LYS HE3 A 12 LYS HD2 1.0 1.8 2.8 144 98 A 12 LYS HD2 A 12 LYS HE2 1.0 1.8 2.8 145 99 A 12 LYS HE3 A 12 LYS HGx 1.0 1.8 3.4 146 99 A 12 LYS HE2 A 12 LYS HGx 1.0 1.8 3.4 147 99 A 12 LYS HGy A 12 LYS HE2 1.0 1.8 3.4 148 99 A 12 LYS HE3 A 12 LYS HGy 1.0 1.8 3.4 149 100 A 12 LYS HB2 A 12 LYS HE2 1.0 1.8 3.4 150 100 A 12 LYS HB3 A 12 LYS HE2 1.0 1.8 3.4 151 100 A 12 LYS HE3 A 12 LYS HB3 1.0 1.8 3.4 152 100 A 12 LYS HB2 A 12 LYS HE3 1.0 1.8 3.4 153 101 A 12 LYS HE3 A 12 LYS HD2 1.0 1.8 2.8 154 101 A 12 LYS HD2 A 12 LYS HE2 1.0 1.8 2.8 155 102 A 12 LYS HE3 A 12 LYS HGx 1.0 1.8 3.4 156 102 A 12 LYS HE2 A 12 LYS HGx 1.0 1.8 3.4 157 102 A 12 LYS HGy A 12 LYS HE2 1.0 1.8 3.4 158 102 A 12 LYS HE3 A 12 LYS HGy 1.0 1.8 3.4 159 103 A 12 LYS HA A 12 LYS HGx 1.0 1.8 5.0 160 103 A 12 LYS HA A 12 LYS HGy 1.0 1.8 5.0 161 104 A 12 LYS HA A 12 LYS HB3 1.0 1.8 2.8 162 104 A 12 LYS HA A 12 LYS HB2 1.0 1.8 2.8 163 105 A 12 LYS H A 12 LYS HA 1.0 1.8 5.0 164 106 A 12 LYS HZ% A 12 LYS HE2 1.0 1.8 2.8 165 106 A 12 LYS HZ% A 12 LYS HE3 1.0 1.8 2.8 166 107 A 12 LYS H A 12 LYS HB3 1.0 1.8 3.4 167 107 A 12 LYS H A 12 LYS HB2 1.0 1.8 3.4 168 108 A 12 LYS H A 12 LYS HB2 1.0 1.8 3.4 169 109 A 12 LYS H A 12 LYS HD3 1.0 1.8 5.0 170 109 A 12 LYS H A 12 LYS HD2 1.0 1.8 5.0 171 110 A 12 LYS H A 12 LYS HGx 1.0 1.8 5.0 172 110 A 12 LYS H A 12 LYS HGy 1.0 1.8 5.0 173 111 A 12 LYS HZ% A 12 LYS HD2 1.0 1.8 5.0 174 112 A 12 LYS HB2 A 12 LYS HZ% 1.0 1.8 5.0 175 113 A 13 ILE H A 13 ILE HA 1.0 1.8 2.8 176 114 A 13 ILE H A 13 ILE HB 1.0 1.8 3.4 177 115 A 13 ILE H A 13 ILE HG12 1.0 1.8 3.4 178 116 A 13 ILE H A 13 ILE HG13 1.0 1.8 3.4 179 116 A 13 ILE H A 13 ILE HG12 1.0 1.8 3.4 180 117 A 13 ILE H A 13 ILE HD1% 1.0 1.8 5.0 181 118 A 13 ILE HA A 13 ILE HB 1.0 1.8 2.8 182 119 A 13 ILE HA A 13 ILE HG12 1.0 1.8 5.0 183 120 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 5.0 184 121 A 13 ILE HB A 13 ILE HG2% 1.0 1.8 2.8 185 122 A 13 ILE HA A 13 ILE HD1% 1.0 1.8 3.4 186 123 A 13 ILE HA A 13 ILE HG2% 1.0 1.8 3.4 187 124 A 13 ILE HA A 13 ILE HB 1.0 1.8 3.4 188 125 A 13 ILE H A 13 ILE HB 1.0 1.8 2.8 189 126 A 13 ILE H A 13 ILE HG13 1.0 1.8 5.0 190 126 A 13 ILE H A 13 ILE HG12 1.0 1.8 5.0 191 127 A 13 ILE H A 13 ILE HG2% 1.0 1.8 5.0 192 128 A 14 LEU H A 14 LEU HA 1.0 1.8 5.0 193 129 A 14 LEU H A 14 LEU HB3 1.0 1.8 2.8 194 129 A 14 LEU H A 14 LEU HB2 1.0 1.8 2.8 195 130 A 14 LEU H A 14 LEU HB2 1.0 1.8 3.4 196 131 A 14 LEU HA A 14 LEU HB3 1.0 1.8 3.4 197 131 A 14 LEU HA A 14 LEU HB2 1.0 1.8 3.4 198 132 A 14 LEU HA A 14 LEU HB2 1.0 1.8 3.4 199 133 A 14 LEU HA A 14 LEU HD2% 1.0 1.8 5.0 200 134 A 14 LEU HB2 A 14 LEU HD2% 1.0 1.8 3.4 201 135 A 14 LEU H A 14 LEU HB3 1.0 1.8 2.8 202 135 A 14 LEU H A 14 LEU HB2 1.0 1.8 2.8 203 136 A 1 ILE HG12 A 2 ASN HB2 1.0 1.8 5.0 204 136 A 1 ILE HG12 A 2 ASN HB3 1.0 1.8 5.0 205 137 A 2 ASN H A 3 LEU H 1.0 1.8 5.0 206 138 A 1 ILE HA A 2 ASN HD22 1.0 1.8 5.0 207 139 A 1 ILE HA A 2 ASN HD21 1.0 1.8 5.0 208 140 A 1 ILE HG12 A 2 ASN HD22 1.0 1.8 5.0 209 141 A 1 ILE HB A 2 ASN HD22 1.0 1.8 5.0 210 142 A 1 ILE HG12 A 2 ASN HB2 1.0 1.8 5.0 211 142 A 1 ILE HG12 A 2 ASN HB3 1.0 1.8 5.0 212 143 A 3 LEU H A 2 ASN HB2 1.0 1.8 5.0 213 143 A 2 ASN HB3 A 3 LEU H 1.0 1.8 5.0 214 144 A 2 ASN HA A 3 LEU H 1.0 1.8 3.4 215 145 A 3 LEU H A 2 ASN HB2 1.0 1.8 5.0 216 145 A 2 ASN HB3 A 3 LEU H 1.0 1.8 5.0 217 146 A 2 ASN HA A 3 LEU HA 1.0 1.8 5.0 218 147 A 2 ASN HA A 3 LEU HB2 1.0 1.8 5.0 219 148 A 2 ASN HA A 3 LEU HG 1.0 1.8 5.0 220 149 A 3 LEU HA A 4 LYS H 1.0 1.8 5.0 221 150 A 4 LYS H A 3 LEU HD1% 1.0 1.8 5.0 222 150 A 3 LEU HD2% A 4 LYS H 1.0 1.8 5.0 223 151 A 4 LYS H A 5 ALA H 1.0 1.8 3.4 224 152 A 4 LYS H A 3 LEU HD1% 1.0 1.8 5.0 225 152 A 3 LEU HD2% A 4 LYS H 1.0 1.8 5.0 226 153 A 4 LYS HB2 A 5 ALA HA 1.0 1.8 5.0 227 154 A 3 LEU H A 4 LYS HA 1.0 1.8 5.0 228 155 A 4 LYS H A 5 ALA H 1.0 1.8 3.4 229 156 A 4 LYS HA A 5 ALA H 1.0 1.8 5.0 230 157 A 5 ALA H A 4 LYS HB3 1.0 1.8 2.8 231 157 A 4 LYS HB2 A 5 ALA H 1.0 1.8 2.8 232 158 A 7 ALA H A 6 LEU HB2 1.0 1.8 5.0 233 158 A 6 LEU HB3 A 7 ALA H 1.0 1.8 5.0 234 159 A 6 LEU HG A 7 ALA H 1.0 1.8 5.0 235 160 A 6 LEU HA A 7 ALA H 1.0 1.8 5.0 236 161 A 7 ALA H A 8 ALA H 1.0 1.8 3.4 237 162 A 7 ALA H A 6 LEU HB2 1.0 1.8 3.4 238 162 A 6 LEU HB3 A 7 ALA H 1.0 1.8 3.4 239 163 A 6 LEU HG A 7 ALA H 1.0 1.8 5.0 240 164 A 7 ALA H A 6 LEU HD1% 1.0 1.8 5.0 241 164 A 6 LEU HD21 A 7 ALA H 1.0 1.8 5.0 242 165 A 6 LEU HA A 7 ALA H 1.0 1.8 5.0 243 166 A 7 ALA HA A 8 ALA H 1.0 1.8 3.4 244 167 A 7 ALA HA A 8 ALA H 1.0 1.8 5.0 245 168 A 7 ALA H A 8 ALA H 1.0 1.8 3.4 246 169 A 7 ALA HB% A 8 ALA HA 1.0 1.8 5.0 247 170 A 8 ALA HA A 9 LEU HG 1.0 1.8 5.0 248 171 A 9 LEU H A 10 ALA H 1.0 1.8 3.4 249 172 A 8 ALA HA A 9 LEU HG 1.0 1.8 5.0 250 173 A 9 LEU HA A 10 ALA H 1.0 1.8 5.0 251 174 A 10 ALA H A 9 LEU HB2 1.0 1.8 5.0 252 174 A 9 LEU HB3 A 10 ALA H 1.0 1.8 5.0 253 175 A 10 ALA H A 9 LEU HD2% 1.0 1.8 5.0 254 176 A 9 LEU HD1% A 10 ALA H 1.0 1.8 5.0 255 177 A 10 ALA H A 11 LYS H 1.0 1.8 5.0 256 178 A 9 LEU H A 10 ALA H 1.0 1.8 3.4 257 179 A 9 LEU HA A 10 ALA H 1.0 1.8 5.0 258 180 A 10 ALA H A 9 LEU HB2 1.0 1.8 5.0 259 180 A 9 LEU HB3 A 10 ALA H 1.0 1.8 5.0 260 181 A 10 ALA H A 11 LYS H 1.0 1.8 5.0 261 182 A 11 LYS H A 12 LYS HD3 1.0 1.8 5.0 262 183 A 11 LYS HA A 12 LYS HD3 1.0 1.8 5.0 263 183 A 11 LYS HA A 12 LYS HD2 1.0 1.8 5.0 264 184 A 11 LYS HA A 12 LYS H 1.0 1.8 5.0 265 185 A 11 LYS HB2 A 12 LYS H 1.0 1.8 5.0 266 186 A 12 LYS H A 11 LYS HB3 1.0 1.8 5.0 267 186 A 11 LYS HB2 A 12 LYS H 1.0 1.8 5.0 268 187 A 11 LYS H A 12 LYS H 1.0 1.8 5.0 269 188 A 11 LYS HA A 12 LYS H 1.0 1.8 5.0 270 189 A 12 LYS H A 13 ILE H 1.0 1.8 5.0 271 190 A 12 LYS H A 11 LYS HB3 1.0 1.8 3.4 272 190 A 11 LYS HB2 A 12 LYS H 1.0 1.8 3.4 273 191 A 11 LYS HB2 A 12 LYS H 1.0 1.8 5.0 274 192 A 11 LYS HG2 A 12 LYS H 1.0 1.8 5.0 275 193 A 12 LYS HA A 13 ILE HG12 1.0 1.8 5.0 276 194 A 13 ILE H A 12 LYS HB3 1.0 1.8 5.0 277 194 A 12 LYS HB2 A 13 ILE H 1.0 1.8 5.0 278 195 A 11 LYS H A 12 LYS HD2 1.0 1.8 5.0 279 196 A 11 LYS H A 12 LYS HD3 1.0 1.8 5.0 280 197 A 13 ILE H A 14 LEU H 1.0 1.8 3.4 281 198 A 12 LYS H A 13 ILE H 1.0 1.8 5.0 282 199 A 13 ILE H A 12 LYS HB3 1.0 1.8 5.0 283 199 A 12 LYS HB2 A 13 ILE H 1.0 1.8 5.0 284 200 A 13 ILE H A 14 LEU HB3 1.0 1.8 5.0 285 200 A 13 ILE H A 14 LEU HB2 1.0 1.8 5.0 286 201 A 13 ILE HG2% A 14 LEU HA 1.0 1.8 5.0 287 202 A 13 ILE HA A 14 LEU H 1.0 1.8 5.0 288 203 A 13 ILE HB A 14 LEU H 1.0 1.8 3.4 289 204 A 13 ILE HG2% A 14 LEU H 1.0 1.8 5.0 290 205 A 13 ILE H A 14 LEU H 1.0 1.8 5.0 291 206 A 13 ILE HB A 14 LEU H 1.0 1.8 5.0 292 207 A 13 ILE HA A 14 LEU H 1.0 1.8 5.0 293 208 A 3 LEU H A 5 ALA H 1.0 1.8 5.0 294 209 A 2 ASN HA A 5 ALA H 1.0 1.8 5.0 295 210 A 3 LEU H A 5 ALA H 1.0 1.8 5.0 296 211 A 8 ALA HA A 11 LYS H 1.0 1.8 5.0 297 212 A 7 ALA HA A 10 ALA H 1.0 1.8 5.0 298 213 A 8 ALA HA A 11 LYS H 1.0 1.8 5.0 299 214 A 11 LYS HA A 13 ILE H 1.0 1.8 5.0 300 215 A 11 LYS HA A 14 LEU H 1.0 1.8 5.0 301 216 A 9 LEU HA A 12 LYS H 1.0 1.8 5.0 302 217 A 11 LYS HA A 13 ILE H 1.0 1.8 5.0 303 218 A 10 ALA HA A 13 ILE H 1.0 1.8 5.0 304 219 A 11 LYS HA A 14 LEU H 1.0 1.8 5.0 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 1 ILE C A 2 ASN N A 2 ASN CA A 2 ASN C 1.0 -106.943 -57.031 PHI 2 2 A 2 ASN C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -65.058 -57.642 PHI 3 3 A 3 LEU C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -64.387 -54.803 PHI 4 4 A 4 LYS C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -68.080 -59.768 PHI 5 5 A 5 ALA C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -69.161 -57.755 PHI 6 6 A 6 LEU C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -68.165 -57.749 PHI 7 7 A 7 ALA C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -68.196 -59.862 PHI 8 8 A 8 ALA C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -68.918 -59.528 PHI 9 9 A 9 LEU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -66.550 -55.422 PHI 10 10 A 10 ALA C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -66.643 -52.891 PHI 11 11 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -77.950 -60.048 PHI 12 12 A 12 LYS C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -90.204 -70.676 PHI 13 13 A 2 ASN N A 2 ASN CA A 2 ASN C A 3 LEU N 1.0 -171.248 -103.306 PSI 14 14 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 LYS N 1.0 -42.774 -24.662 PSI 15 15 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 ALA N 1.0 -47.091 -37.421 PSI 16 16 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 LEU N 1.0 -44.124 -38.726 PSI 17 17 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 ALA N 1.0 -43.157 -37.077 PSI 18 18 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ALA N 1.0 -48.620 -25.160 PSI 19 19 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 LEU N 1.0 -46.556 -36.836 PSI 20 20 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ALA N 1.0 -45.296 -39.366 PSI 21 21 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LYS N 1.0 -49.846 -36.022 PSI 22 22 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LYS N 1.0 -49.602 -21.304 PSI 23 23 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ILE N 1.0 -47.447 -25.525 PSI 24 24 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 LEU N 1.0 -39.779 -9.457 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 Hz . . 8012.820 . . . . 2 Hz . . 8002.124 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _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 Hz . . 8012.820 . . . . 2 Hz . . 8002.124 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _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 Hz . . 8012.820 . . . . 2 Hz . . 20831.980 . . . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _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 Hz . . 12019.230 . . . . 2 Hz . . 2000.000 . . . . stop_ save_