data_nef_c30483_6duu 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 6DUU 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 19 LEU C 1 20 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 PHE start . . 2 A 2 LEU middle . . 3 A 3 PRO middle . false 4 A 4 ILE middle . . 5 A 5 ILE middle . . 6 A 6 ILE middle . . 7 A 7 ASN middle . . 8 A 8 LEU middle . . 9 A 9 LYS middle . . 10 A 10 ALA middle . . 11 A 11 LEU middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 LYS middle . . 17 A 17 LYS middle . . 18 A 18 ILE middle . . 19 A 19 LEU middle -OXT . 20 A 20 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 PHE H1 H 1 7.8360 0.0000 A 1 PHE HA H 1 4.4050 0.0000 A 1 PHE HB2 H 1 3.1800 0.0000 A 1 PHE HB3 H 1 3.1970 0.0000 A 1 PHE HE1 H 1 7.3890 0.0000 A 1 PHE HE2 H 1 7.2920 0.0000 A 1 PHE CA C 13 56.9900 0.0000 A 1 PHE CB C 13 39.7620 0.0000 A 2 LEU H H 1 7.6930 0.0000 A 2 LEU HA H 1 4.4960 0.0000 A 2 LEU HB2 H 1 1.5520 0.0000 A 2 LEU HB3 H 1 1.6160 0.0000 A 2 LEU HD2% H 1 0.8940 0.0000 A 2 LEU HG H 1 1.5560 0.0000 A 2 LEU CA C 13 53.0920 0.0000 A 2 LEU CB C 13 41.8090 0.0000 A 2 LEU N N 15 123.7980 0.0000 A 3 PRO HA H 1 4.4870 0.0000 A 3 PRO HB2 H 1 2.2390 0.0000 A 3 PRO HD2 H 1 3.6500 0.0000 A 3 PRO HD3 H 1 3.7650 0.0000 A 3 PRO HG2 H 1 2.0610 0.0000 A 3 PRO CA C 13 64.2040 0.0000 A 4 ILE H H 1 7.9020 0.0000 A 4 ILE HA H 1 4.1290 0.0000 A 4 ILE HB H 1 1.9710 0.0000 A 4 ILE HD1% H 1 0.8930 0.0000 A 4 ILE HG2% H 1 0.9200 0.0000 A 4 ILE CA C 13 62.5000 0.0000 A 4 ILE CB C 13 38.5240 0.0000 A 4 ILE N N 15 120.2940 0.0000 A 5 ILE H H 1 7.8030 0.0000 A 5 ILE HA H 1 3.9390 0.0000 A 5 ILE HB H 1 2.0380 0.0000 A 5 ILE HD1% H 1 0.8580 0.0000 A 5 ILE HG2% H 1 0.8650 0.0000 A 5 ILE CA C 13 60.7000 0.0000 A 5 ILE CB C 13 35.7650 0.0000 A 5 ILE N N 15 121.0310 0.0000 A 6 ILE H H 1 7.7330 0.0000 A 6 ILE HA H 1 3.8890 0.0000 A 6 ILE HB H 1 1.9210 0.0000 A 6 ILE HD1% H 1 0.8890 0.0000 A 6 ILE HG12 H 1 1.2470 0.0000 A 6 ILE HG13 H 1 1.2740 0.0000 A 6 ILE CA C 13 62.6400 0.0000 A 6 ILE CB C 13 39.2140 0.0000 A 6 ILE N N 15 120.4330 0.0000 A 7 ASN H H 1 7.8280 0.0000 A 7 ASN HA H 1 4.7400 0.0000 A 7 ASN HB2 H 1 2.8280 0.0000 A 7 ASN HD21 H 1 7.4860 0.0000 A 7 ASN HD2y H 1 7.4860 0.0000 A 7 ASN HD2x H 1 6.9260 0.0000 A 7 ASN CB C 13 38.4000 0.0000 A 7 ASN N N 15 120.4000 0.0000 A 8 LEU H H 1 8.4040 0.0000 A 8 LEU HA H 1 4.0590 0.0000 A 8 LEU HB2 H 1 1.9160 0.0000 A 8 LEU HD1% H 1 0.9080 0.0000 A 8 LEU HD2% H 1 0.8570 0.0000 A 8 LEU HG H 1 1.4550 0.0000 A 8 LEU CA C 13 58.0980 0.0000 A 8 LEU CB C 13 41.9040 0.0000 A 8 LEU N N 15 121.0020 0.0000 A 9 LYS H H 1 8.2330 0.0000 A 9 LYS HA H 1 3.9270 0.0000 A 9 LYS HB2 H 1 1.8980 0.0000 A 9 LYS HD2 H 1 1.6930 0.0000 A 9 LYS HE2 H 1 2.9570 0.0000 A 9 LYS HG2 H 1 1.4040 0.0000 A 9 LYS CA C 13 58.6230 0.0000 A 9 LYS CB C 13 32.4150 0.0000 A 9 LYS CD C 13 29.4820 0.0000 A 9 LYS N N 15 118.3520 0.0000 A 10 ALA H H 1 7.7350 0.0000 A 10 ALA HA H 1 4.1900 0.0000 A 10 ALA HB% H 1 1.5210 0.0000 A 10 ALA CA C 13 54.7720 0.0000 A 10 ALA CB C 13 18.2310 0.0000 A 10 ALA N N 15 122.4220 0.0000 A 11 LEU H H 1 7.9850 0.0000 A 11 LEU HA H 1 4.0890 0.0000 A 11 LEU HB2 H 1 1.8300 0.0000 A 11 LEU CA C 13 57.8660 0.0000 A 11 LEU CB C 13 42.4600 0.0000 A 11 LEU N N 15 119.9660 0.0000 A 12 ALA H H 1 8.3490 0.0000 A 12 ALA HA H 1 3.9210 0.0000 A 12 ALA HB% H 1 1.4930 0.0000 A 12 ALA CA C 13 55.3480 0.0000 A 12 ALA CB C 13 18.0900 0.0000 A 12 ALA N N 15 121.4800 0.0000 A 13 ALA H H 1 7.7510 0.0000 A 13 ALA HA H 1 4.0370 0.0000 A 13 ALA HB% H 1 1.5060 0.0000 A 13 ALA CA C 13 54.8610 0.0000 A 13 ALA CB C 13 18.1320 0.0000 A 13 ALA N N 15 122.4000 0.0000 A 14 LEU H H 1 7.7140 0.0000 A 14 LEU HA H 1 4.1180 0.0000 A 14 LEU HB2 H 1 1.8650 0.0000 A 14 LEU HD1% H 1 0.9720 0.0000 A 14 LEU HD2% H 1 0.8970 0.0000 A 14 LEU CA C 13 57.9130 0.0000 A 14 LEU CB C 13 41.9720 0.0000 A 14 LEU N N 15 120.0990 0.0000 A 15 ALA H H 1 8.4060 0.0000 A 15 ALA HA H 1 3.8940 0.0000 A 15 ALA HB% H 1 1.4610 0.0000 A 15 ALA CA C 13 55.2230 0.0000 A 15 ALA CB C 13 18.0790 0.0000 A 15 ALA N N 15 122.5490 0.0000 A 16 LYS H H 1 7.9570 0.0000 A 16 LYS HA H 1 3.9100 0.0000 A 16 LYS HB2 H 1 1.9540 0.0000 A 16 LYS HD2 H 1 1.6980 0.0000 A 16 LYS HE2 H 1 2.9380 0.0000 A 16 LYS CA C 13 58.7240 0.0000 A 16 LYS CB C 13 32.0950 0.0000 A 16 LYS CD C 13 29.5030 0.0000 A 16 LYS N N 15 114.4540 0.0000 A 17 LYS H H 1 7.5410 0.0000 A 17 LYS HA H 1 4.1460 0.0000 A 17 LYS HB2 H 1 2.0080 0.0000 A 17 LYS HD2 H 1 1.6970 0.0000 A 17 LYS HE2 H 1 2.9720 0.0000 A 17 LYS HG2 H 1 1.4510 0.0000 A 17 LYS CA C 13 58.2120 0.0000 A 17 LYS CB C 13 33.0290 0.0000 A 17 LYS N N 15 117.1540 0.0000 A 18 ILE H H 1 7.6470 0.0000 A 18 ILE HA H 1 4.1500 0.0000 A 18 ILE HB H 1 1.8640 0.0000 A 18 ILE HD1% H 1 0.8560 0.0000 A 18 ILE HG12 H 1 1.3550 0.0000 A 18 ILE HG13 H 1 1.5730 0.0000 A 18 ILE HG2% H 1 0.9400 0.0000 A 18 ILE CA C 13 62.6760 0.0000 A 18 ILE N N 15 115.8310 0.0000 A 19 LEU HA H 1 4.3880 0.0000 A 19 LEU HB2 H 1 1.7870 0.0000 A 19 LEU HD2% H 1 0.8940 0.0000 A 19 LEU HG H 1 1.6190 0.0000 A 19 LEU CA C 13 53.7910 0.0000 A 19 LEU CB C 13 41.8650 0.0000 A 19 LEU CG C 13 26.9010 0.0000 A 19 LEU N N 15 121.3700 0.0000 A 20 NH2 HN1 H 1 7.8340 0.0000 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 PHE HE1 A 1 PHE HB3 1.0 1.8 5.0 2 2 A 1 PHE HE1 A 2 LEU HD2% 1.0 1.8 5.0 3 3 A 2 LEU HD2% A 1 PHE HE2 1.0 1.8 5.0 4 4 A 1 PHE HA A 2 LEU H 1.0 1.8 5.0 5 5 A 1 PHE HE1 A 1 PHE HB3 1.0 1.8 5.0 6 6 A 2 LEU H A 1 PHE HB2 1.0 1.8 5.0 7 7 A 1 PHE HB3 A 1 PHE HA 1.0 1.8 3.4 8 8 A 2 LEU HD2% A 1 PHE HB2 1.0 1.8 5.0 9 9 A 2 LEU H A 2 LEU HA 1.0 1.8 5.0 10 10 A 1 PHE HA A 2 LEU H 1.0 1.8 3.4 11 11 A 2 LEU H A 1 PHE HB2 1.0 1.8 5.0 12 12 A 2 LEU HB2 A 1 PHE H1 1.0 1.8 5.0 13 13 A 2 LEU HA A 2 LEU HB3 1.0 1.8 3.4 14 14 A 2 LEU HD2% A 2 LEU HB2 1.0 1.8 5.0 15 15 A 2 LEU HB2 A 3 PRO HD2 1.0 1.8 5.0 16 16 A 2 LEU HD2% A 3 PRO HD2 1.0 1.8 5.0 17 17 A 2 LEU HD2% A 1 PHE HB2 1.0 1.8 5.0 18 18 A 3 PRO HB2 A 4 ILE H 1.0 1.8 5.0 19 19 A 4 ILE H A 3 PRO HG2 1.0 1.8 5.0 20 20 A 2 LEU HA A 3 PRO HD2 1.0 1.8 2.8 21 21 A 2 LEU HB3 A 3 PRO HD2 1.0 1.8 5.0 22 22 A 2 LEU HD2% A 3 PRO HD2 1.0 1.8 5.0 23 23 A 4 ILE H A 5 ILE H 1.0 1.8 5.0 24 24 A 4 ILE H A 3 PRO HA 1.0 1.8 5.0 25 25 A 4 ILE H A 4 ILE HD1% 1.0 1.8 5.0 26 26 A 4 ILE H A 4 ILE HB 1.0 1.8 3.4 27 27 A 4 ILE H A 3 PRO HG2 1.0 1.8 5.0 28 28 A 4 ILE HG2% A 4 ILE HA 1.0 1.8 2.8 29 29 A 4 ILE HG2% A 4 ILE HA 1.0 1.8 2.8 30 30 A 3 PRO HA A 4 ILE HD1% 1.0 1.8 5.0 31 31 A 4 ILE HD1% A 4 ILE HA 1.0 1.8 2.8 32 32 A 5 ILE H A 5 ILE HA 1.0 1.8 5.0 33 33 A 5 ILE H A 4 ILE HA 1.0 1.8 3.4 34 34 A 5 ILE H A 5 ILE HD1% 1.0 1.8 3.4 35 35 A 5 ILE H A 5 ILE HB 1.0 1.8 3.4 36 36 A 5 ILE H A 5 ILE HB 1.0 1.8 3.4 37 37 A 5 ILE H A 5 ILE HD1% 1.0 1.8 3.4 38 38 A 5 ILE HA A 5 ILE HB 1.0 1.8 3.4 39 39 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 2.8 40 40 A 5 ILE HB A 6 ILE HD1% 1.0 1.8 2.8 41 41 A 6 ILE H A 6 ILE HA 1.0 1.8 2.8 42 42 A 6 ILE H A 7 ASN HB2 1.0 1.8 5.0 43 43 A 6 ILE HD1% A 6 ILE H 1.0 1.8 2.8 44 44 A 5 ILE HB A 6 ILE H 1.0 1.8 5.0 45 45 A 6 ILE H A 6 ILE HB 1.0 1.8 3.4 46 46 A 6 ILE H A 6 ILE HA 1.0 1.8 2.8 47 47 A 6 ILE HA A 7 ASN H 1.0 1.8 3.4 48 48 A 6 ILE HB A 7 ASN H 1.0 1.8 3.4 49 49 A 6 ILE HD1% A 7 ASN H 1.0 1.8 5.0 50 50 A 6 ILE HD1% A 6 ILE HA 1.0 1.8 3.4 51 51 A 5 ILE HB A 6 ILE HA 1.0 1.8 5.0 52 52 A 5 ILE HB A 6 ILE HG13 1.0 1.8 5.0 53 53 A 5 ILE HB A 6 ILE HD1% 1.0 1.8 2.8 54 54 A 7 ASN H A 8 LEU H 1.0 1.8 5.0 55 55 A 6 ILE H A 7 ASN H 1.0 1.8 5.0 56 56 A 7 ASN H A 7 ASN HA 1.0 1.8 5.0 57 57 A 6 ILE HA A 7 ASN H 1.0 1.8 3.4 58 58 A 7 ASN HB2 A 7 ASN HD2y 1.0 1.8 5.0 59 59 A 7 ASN HB2 A 7 ASN HD2y 1.0 1.8 5.0 60 59 A 7 ASN HB2 A 7 ASN HD2x 1.0 1.8 5.0 61 60 A 7 ASN HD2y A 8 LEU HD1% 1.0 1.8 5.0 62 61 A 7 ASN HB2 A 7 ASN H 1.0 1.8 3.4 63 62 A 6 ILE HB A 7 ASN H 1.0 1.8 3.4 64 63 A 7 ASN HB2 A 7 ASN H 1.0 1.8 3.4 65 64 A 7 ASN HB2 A 7 ASN HD2y 1.0 1.8 5.0 66 65 A 6 ILE H A 7 ASN HB2 1.0 1.8 5.0 67 66 A 7 ASN HB2 A 8 LEU H 1.0 1.8 5.0 68 67 A 7 ASN HB2 A 7 ASN HA 1.0 1.8 5.0 69 68 A 7 ASN HB2 A 8 LEU HB2 1.0 1.8 5.0 70 69 A 7 ASN HB2 A 7 ASN HD2y 1.0 1.8 5.0 71 69 A 7 ASN HB2 A 7 ASN HD2x 1.0 1.8 5.0 72 70 A 7 ASN HB2 A 8 LEU HD1% 1.0 1.8 5.0 73 71 A 7 ASN H A 8 LEU H 1.0 1.8 5.0 74 72 A 8 LEU H A 9 LYS H 1.0 1.8 5.0 75 73 A 8 LEU H A 8 LEU HA 1.0 1.8 3.4 76 74 A 8 LEU H A 7 ASN HA 1.0 1.8 5.0 77 75 A 8 LEU H A 8 LEU HB2 1.0 1.8 2.8 78 76 A 7 ASN HB2 A 8 LEU H 1.0 1.8 5.0 79 77 A 8 LEU H A 8 LEU HD1% 1.0 1.8 3.4 80 78 A 9 LYS H A 8 LEU HA 1.0 1.8 5.0 81 79 A 8 LEU H A 8 LEU HA 1.0 1.8 5.0 82 80 A 8 LEU HB2 A 9 LYS H 1.0 1.8 2.8 83 81 A 9 LYS H A 8 LEU HD2% 1.0 1.8 5.0 84 82 A 8 LEU HD1% A 9 LYS H 1.0 1.8 5.0 85 83 A 8 LEU H A 8 LEU HD1% 1.0 1.8 3.4 86 84 A 8 LEU HD1% A 8 LEU HA 1.0 1.8 3.4 87 85 A 8 LEU HD1% A 9 LYS HE2 1.0 1.8 5.0 88 86 A 8 LEU HD2% A 9 LYS HE2 1.0 1.8 5.0 89 87 A 7 ASN HB2 A 8 LEU HB2 1.0 1.8 5.0 90 88 A 8 LEU H A 9 LYS H 1.0 1.8 5.0 91 89 A 9 LYS H A 10 ALA H 1.0 1.8 5.0 92 90 A 9 LYS H A 9 LYS HA 1.0 1.8 5.0 93 91 A 9 LYS H A 8 LEU HA 1.0 1.8 5.0 94 92 A 9 LYS H A 8 LEU HD2% 1.0 1.8 5.0 95 93 A 9 LYS H A 8 LEU HG 1.0 1.8 5.0 96 94 A 9 LYS H A 9 LYS HD2 1.0 1.8 5.0 97 95 A 9 LYS H A 9 LYS HB2 1.0 1.8 2.8 98 96 A 9 LYS H A 10 ALA HB% 1.0 1.8 5.0 99 97 A 9 LYS H A 9 LYS HA 1.0 1.8 5.0 100 98 A 10 ALA H A 9 LYS HB2 1.0 1.8 2.8 101 99 A 9 LYS H A 9 LYS HD2 1.0 1.8 5.0 102 100 A 9 LYS HA A 9 LYS HB2 1.0 1.8 3.4 103 101 A 8 LEU HB2 A 9 LYS HE2 1.0 1.8 5.0 104 102 A 8 LEU HA A 9 LYS HE2 1.0 1.8 5.0 105 103 A 9 LYS HE2 A 9 LYS HB2 1.0 1.8 5.0 106 104 A 8 LEU HD2% A 9 LYS HE2 1.0 1.8 5.0 107 105 A 8 LEU HD1% A 9 LYS HE2 1.0 1.8 5.0 108 106 A 9 LYS H A 10 ALA H 1.0 1.8 5.0 109 107 A 10 ALA H A 11 LEU H 1.0 1.8 5.0 110 108 A 10 ALA H A 10 ALA HA 1.0 1.8 2.8 111 109 A 7 ASN HA A 10 ALA H 1.0 1.8 5.0 112 110 A 10 ALA H A 10 ALA HB% 1.0 1.8 2.8 113 111 A 10 ALA H A 10 ALA HA 1.0 1.8 5.0 114 112 A 11 LEU H A 10 ALA HA 1.0 1.8 5.0 115 113 A 10 ALA HB% A 11 LEU H 1.0 1.8 5.0 116 114 A 9 LYS H A 10 ALA HB% 1.0 1.8 5.0 117 115 A 10 ALA H A 11 LEU H 1.0 1.8 5.0 118 116 A 11 LEU H A 12 ALA H 1.0 1.8 5.0 119 117 A 11 LEU H A 11 LEU HA 1.0 1.8 5.0 120 118 A 11 LEU H A 10 ALA HA 1.0 1.8 5.0 121 119 A 9 LYS HA A 11 LEU H 1.0 1.8 5.0 122 120 A 11 LEU H A 11 LEU HB2 1.0 1.8 2.8 123 121 A 11 LEU H A 11 LEU HA 1.0 1.8 3.4 124 122 A 11 LEU H A 11 LEU HB2 1.0 1.8 2.8 125 123 A 12 ALA H A 13 ALA H 1.0 1.8 5.0 126 124 A 11 LEU H A 12 ALA H 1.0 1.8 5.0 127 125 A 12 ALA H A 12 ALA HA 1.0 1.8 3.4 128 126 A 12 ALA H A 11 LEU HA 1.0 1.8 5.0 129 127 A 10 ALA HA A 12 ALA H 1.0 1.8 5.0 130 128 A 12 ALA H A 12 ALA HB% 1.0 1.8 2.8 131 129 A 12 ALA H A 11 LEU HB2 1.0 1.8 5.0 132 130 A 12 ALA H A 12 ALA HA 1.0 1.8 3.4 133 131 A 13 ALA H A 12 ALA HB% 1.0 1.8 3.4 134 132 A 12 ALA H A 12 ALA HB% 1.0 1.8 2.8 135 133 A 12 ALA HA A 15 ALA H 1.0 1.8 3.4 136 134 A 12 ALA H A 13 ALA H 1.0 1.8 5.0 137 135 A 13 ALA H A 13 ALA HA 1.0 1.8 3.4 138 136 A 13 ALA H A 12 ALA HB% 1.0 1.8 3.4 139 137 A 13 ALA H A 13 ALA HA 1.0 1.8 3.4 140 138 A 15 ALA H A 14 LEU H 1.0 1.8 3.4 141 139 A 14 LEU H A 14 LEU HA 1.0 1.8 3.4 142 140 A 15 ALA H A 14 LEU HA 1.0 1.8 5.0 143 141 A 15 ALA H A 14 LEU HB2 1.0 1.8 5.0 144 142 A 15 ALA H A 14 LEU HD2% 1.0 1.8 5.0 145 143 A 15 ALA H A 14 LEU HD1% 1.0 1.8 5.0 146 144 A 14 LEU H A 14 LEU HD1% 1.0 1.8 5.0 147 145 A 14 LEU HA A 14 LEU HB2 1.0 1.8 2.8 148 146 A 14 LEU HB2 A 14 LEU HD2% 1.0 1.8 5.0 149 147 A 14 LEU HA A 13 ALA HB% 1.0 1.8 5.0 150 148 A 14 LEU HA A 14 LEU HB2 1.0 1.8 2.8 151 149 A 15 ALA H A 14 LEU H 1.0 1.8 3.4 152 150 A 15 ALA H A 16 LYS H 1.0 1.8 5.0 153 151 A 15 ALA H A 15 ALA HA 1.0 1.8 3.4 154 152 A 15 ALA H A 14 LEU HA 1.0 1.8 5.0 155 153 A 15 ALA H A 15 ALA HB% 1.0 1.8 3.4 156 154 A 12 ALA HA A 15 ALA H 1.0 1.8 3.4 157 155 A 16 LYS H A 15 ALA HA 1.0 1.8 5.0 158 156 A 16 LYS H A 15 ALA HB% 1.0 1.8 5.0 159 157 A 15 ALA H A 15 ALA HA 1.0 1.8 3.4 160 158 A 15 ALA H A 15 ALA HB% 1.0 1.8 3.4 161 159 A 15 ALA HB% A 16 LYS HE2 1.0 1.8 3.4 162 160 A 15 ALA HA A 16 LYS HD2 1.0 1.8 5.0 163 161 A 14 LEU HD2% A 15 ALA HB% 1.0 1.8 5.0 164 162 A 15 ALA HA A 18 ILE H 1.0 1.8 5.0 165 163 A 15 ALA H A 16 LYS H 1.0 1.8 5.0 166 164 A 16 LYS H A 17 LYS H 1.0 1.8 5.0 167 165 A 16 LYS H A 16 LYS HA 1.0 1.8 3.4 168 166 A 16 LYS H A 15 ALA HA 1.0 1.8 5.0 169 167 A 16 LYS H A 15 ALA HB% 1.0 1.8 5.0 170 168 A 16 LYS H A 16 LYS HD2 1.0 1.8 3.4 171 169 A 17 LYS H A 16 LYS HA 1.0 1.8 5.0 172 170 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.4 173 170 A 16 LYS H A 16 LYS HB2 1.0 1.8 3.4 174 171 A 16 LYS H A 16 LYS HD2 1.0 1.8 3.4 175 172 A 15 ALA HA A 16 LYS HE2 1.0 1.8 5.0 176 173 A 15 ALA HB% A 16 LYS HE2 1.0 1.8 3.4 177 174 A 16 LYS HE2 A 16 LYS HD2 1.0 1.8 2.8 178 175 A 16 LYS HA A 16 LYS HB2 1.0 1.8 3.4 179 176 A 16 LYS HE2 A 16 LYS HD2 1.0 1.8 3.4 180 177 A 16 LYS H A 17 LYS H 1.0 1.8 5.0 181 178 A 18 ILE H A 17 LYS H 1.0 1.8 3.4 182 179 A 17 LYS H A 17 LYS HA 1.0 1.8 3.4 183 180 A 17 LYS H A 16 LYS HA 1.0 1.8 5.0 184 181 A 17 LYS H A 17 LYS HG2 1.0 1.8 5.0 185 182 A 17 LYS H A 17 LYS HD2 1.0 1.8 5.0 186 183 A 17 LYS H A 17 LYS HB2 1.0 1.8 3.4 187 184 A 17 LYS H A 18 ILE HG2% 1.0 1.8 5.0 188 185 A 17 LYS H A 18 ILE HD1% 1.0 1.8 5.0 189 186 A 17 LYS H A 17 LYS HA 1.0 1.8 5.0 190 187 A 17 LYS H A 17 LYS HB2 1.0 1.8 3.4 191 188 A 17 LYS H A 17 LYS HD2 1.0 1.8 5.0 192 189 A 18 ILE H A 17 LYS HB2 1.0 1.8 5.0 193 190 A 17 LYS HA A 17 LYS HE2 1.0 1.8 5.0 194 191 A 17 LYS HA A 17 LYS HB2 1.0 1.8 3.4 195 192 A 17 LYS HA A 17 LYS HB2 1.0 1.8 3.4 196 193 A 18 ILE HD1% A 17 LYS HE2 1.0 1.8 5.0 197 194 A 18 ILE H A 17 LYS H 1.0 1.8 3.4 198 195 A 18 ILE H A 19 LEU H 1.0 1.8 3.4 199 196 A 18 ILE H A 18 ILE HA 1.0 1.8 3.4 200 197 A 15 ALA HA A 18 ILE H 1.0 1.8 5.0 201 198 A 18 ILE H A 18 ILE HG2% 1.0 1.8 5.0 202 199 A 18 ILE H A 18 ILE HD1% 1.0 1.8 5.0 203 200 A 18 ILE H A 17 LYS HB2 1.0 1.8 5.0 204 201 A 18 ILE H A 19 LEU HB2 1.0 1.8 5.0 205 202 A 18 ILE H A 18 ILE HG12 1.0 1.8 5.0 206 203 A 18 ILE H A 18 ILE HG13 1.0 1.8 5.0 207 204 A 18 ILE H A 18 ILE HB 1.0 1.8 5.0 208 205 A 18 ILE H A 18 ILE HG13 1.0 1.8 5.0 209 206 A 18 ILE H A 18 ILE HG2% 1.0 1.8 5.0 210 207 A 18 ILE H A 18 ILE HA 1.0 1.8 3.4 211 208 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.4 212 209 A 18 ILE HA A 19 LEU HB2 1.0 1.8 5.0 213 210 A 18 ILE H A 19 LEU H 1.0 1.8 3.4 214 211 A 19 LEU H A 19 LEU HB2 1.0 1.8 3.4 215 212 A 19 LEU H A 19 LEU HG 1.0 1.8 5.0 216 213 A 19 LEU H A 18 ILE HA 1.0 1.8 3.4 217 214 A 19 LEU H A 19 LEU HA 1.0 1.8 5.0 218 215 A 19 LEU H A 19 LEU HB2 1.0 1.8 3.4 219 216 A 19 LEU HB2 A 19 LEU HA 1.0 1.8 5.0 220 217 A 19 LEU HG A 19 LEU HA 1.0 1.8 5.0 221 218 A 18 ILE HA A 19 LEU HB2 1.0 1.8 5.0 222 219 A 19 LEU HB2 A 19 LEU HD2% 1.0 1.8 5.0 223 220 A 18 ILE HA A 19 LEU HG 1.0 1.8 5.0 224 221 A 19 LEU HA A 19 LEU HD2% 1.0 1.8 3.4 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 PHE C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -132.083 -64.083 PHI 2 2 A 2 LEU C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -68.487 -52.487 PHI 3 3 A 3 PRO C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -71.650 -53.650 PHI 4 4 A 4 ILE C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -104.539 -66.539 PHI 5 5 A 5 ILE C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -97.246 -55.246 PHI 6 6 A 6 ILE C A 7 ASN N A 7 ASN CA A 7 ASN C 1.0 -66.929 -58.929 PHI 7 7 A 7 ASN C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -83.947 -49.947 PHI 8 8 A 8 LEU C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -71.311 -57.311 PHI 9 9 A 9 LYS C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -79.299 -55.299 PHI 10 10 A 10 ALA C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -68.754 -60.754 PHI 11 11 A 11 LEU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -73.695 -57.695 PHI 12 12 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -70.879 -60.879 PHI 13 13 A 13 ALA C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -83.137 -53.137 PHI 14 14 A 14 LEU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -66.299 -56.299 PHI 15 15 A 15 ALA C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -75.871 -55.871 PHI 16 16 A 16 LYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -82.030 -60.030 PHI 17 17 A 17 LYS C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -93.630 -73.630 PHI 18 18 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 PRO N 1.0 80.394 150.394 PSI 19 19 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 ILE N 1.0 136.120 154.120 PSI 20 20 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ILE N 1.0 -39.572 -9.572 PSI 21 21 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 ILE N 1.0 -39.800 6.200 PSI 22 22 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ASN N 1.0 -46.646 -4.646 PSI 23 23 A 7 ASN N A 7 ASN CA A 7 ASN C A 8 LEU N 1.0 -44.922 -36.922 PSI 24 24 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LYS N 1.0 -53.670 -17.670 PSI 25 25 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 ALA N 1.0 -49.022 -39.022 PSI 26 26 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LEU N 1.0 -46.006 -32.006 PSI 27 27 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ALA N 1.0 -47.410 -37.410 PSI 28 28 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -43.129 -29.129 PSI 29 29 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 LEU N 1.0 -46.182 -32.182 PSI 30 30 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ALA N 1.0 -52.730 -18.730 PSI 31 31 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 LYS N 1.0 -48.414 -34.414 PSI 32 32 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LYS N 1.0 -49.946 -19.946 PSI 33 33 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ILE N 1.0 -46.612 -24.612 PSI 34 34 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 LEU N 1.0 -32.631 -0.631 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_