data_nef_c19901_2mnq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MNQ 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 1 ACE C 1 2 SER 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 0 ACE start . . 2 A 1 SER middle . . 3 A 2 ASP middle . . 4 A 3 ALA middle . . 5 A 4 ALA middle . . 6 A 5 VAL middle . . 7 A 6 ASP middle . . 8 A 7 THR middle . . 9 A 8 SER middle . . 10 A 9 SER middle . . 11 A 10 GLU middle . . 12 A 11 ILE middle . . 13 A 12 THR middle . . 14 A 13 THR middle . . 15 A 14 LYS middle . . 16 A 15 ASP middle . . 17 A 16 LEU middle . . 18 A 17 LYS middle . . 19 A 18 GLU middle . . 20 A 19 LYS middle . . 21 A 20 LYS middle . . 22 A 21 GLU middle . . 23 A 22 VAL middle . . 24 A 23 VAL middle . . 25 A 24 GLU middle . . 26 A 25 GLU middle . . 27 A 26 ALA middle . . 28 A 27 GLU middle . . 29 A 28 ASN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER H H 1 8.2670 0.0050 A 1 SER HA H 1 4.3400 0.0050 A 1 SER HBx H 1 3.7680 0.0050 A 1 SER HBy H 1 3.8020 0.0050 A 1 SER CA C 13 55.8270 0.0050 A 1 SER CB C 13 61.5870 0.0050 A 1 SER N N 15 121.4630 0.0050 A 2 ASP H H 1 8.4030 0.0050 A 2 ASP HA H 1 4.5470 0.0050 A 2 ASP HBy H 1 2.6470 0.0050 A 2 ASP HBx H 1 2.5940 0.0050 A 2 ASP CA C 13 51.4430 0.0050 A 2 ASP CB C 13 37.8260 0.0050 A 2 ASP N N 15 121.9190 0.0050 A 3 ALA H H 1 8.0370 0.0050 A 3 ALA HA H 1 4.2080 0.0050 A 3 ALA HB% H 1 1.1790 0.0050 A 3 ALA CA C 13 49.8300 0.0050 A 3 ALA CB C 13 19.2170 0.0050 A 3 ALA N N 15 124.0210 0.0050 A 4 ALA H H 1 8.1540 0.0050 A 4 ALA HA H 1 4.2730 0.0050 A 4 ALA HB% H 1 1.1370 0.0050 A 4 ALA CA C 13 53.6610 0.0050 A 4 ALA CB C 13 18.8510 0.0050 A 4 ALA N N 15 123.3300 0.0050 A 5 VAL H H 1 7.8790 0.0050 A 5 VAL HA H 1 3.8600 0.0050 A 5 VAL HB H 1 2.0850 0.0050 A 5 VAL HGx% H 1 0.9410 0.0050 A 5 VAL HGy% H 1 0.8770 0.0050 A 5 VAL CA C 13 61.0660 0.0050 A 5 VAL CB C 13 29.5550 0.0050 A 5 VAL CGy C 13 18.9150 0.0050 A 5 VAL CGx C 13 18.6170 0.0050 A 5 VAL N N 15 121.7140 0.0050 A 6 ASP H H 1 8.1190 0.0050 A 6 ASP HA H 1 4.5700 0.0050 A 6 ASP HBy H 1 2.8330 0.0050 A 6 ASP HBx H 1 2.7370 0.0050 A 6 ASP CA C 13 51.4450 0.0050 A 6 ASP CB C 13 36.7000 0.0050 A 6 ASP N N 15 119.3260 0.0050 A 7 THR H H 1 8.1050 0.0050 A 7 THR HA H 1 4.1940 0.0050 A 7 THR CA C 13 60.1040 0.0050 A 7 THR N N 15 114.7100 0.0050 A 8 SER H H 1 8.2140 0.0050 A 8 SER HA H 1 4.4140 0.0050 A 8 SER HBx H 1 3.8550 0.0050 A 8 SER HBy H 1 3.8550 0.0050 A 8 SER CA C 13 55.8840 0.0050 A 8 SER CB C 13 61.1590 0.0050 A 8 SER N N 15 117.4160 0.0050 A 9 SER H H 1 8.3360 0.0050 A 9 SER HA H 1 4.3750 0.0050 A 9 SER HBx H 1 3.8450 0.0050 A 9 SER HBy H 1 3.8450 0.0050 A 9 SER CA C 13 55.8430 0.0050 A 9 SER CB C 13 61.1590 0.0050 A 9 SER N N 15 118.0980 0.0050 A 10 GLU H H 1 8.2080 0.0050 A 10 GLU HA H 1 4.3040 0.0050 A 10 GLU HBy H 1 2.0390 0.0050 A 10 GLU HBx H 1 1.9270 0.0050 A 10 GLU HGx H 1 2.3060 0.0050 A 10 GLU HGy H 1 2.3060 0.0050 A 10 GLU CA C 13 53.6610 0.0050 A 10 GLU CB C 13 26.4550 0.0050 A 10 GLU CG C 13 31.6770 0.0050 A 10 GLU N N 15 122.2080 0.0050 A 11 ILE H H 1 8.0880 0.0050 A 11 ILE HA H 1 4.1350 0.0050 A 11 ILE HB H 1 1.8270 0.0050 A 11 ILE HD1% H 1 0.8090 0.0050 A 11 ILE HG1x H 1 1.4730 0.0050 A 11 ILE HG1y H 1 1.4730 0.0050 A 11 ILE HG2% H 1 0.8530 0.0050 A 11 ILE CA C 13 54.4630 0.0050 A 11 ILE CB C 13 35.8830 0.0050 A 11 ILE CD1 C 13 14.9830 0.0050 A 11 ILE CG1 C 13 24.9710 0.0050 A 11 ILE CG2 C 13 14.9750 0.0050 A 11 ILE N N 15 121.5830 0.0050 A 12 THR H H 1 8.0560 0.0050 A 12 THR HA H 1 4.4800 0.0050 A 12 THR HB H 1 4.2830 0.0050 A 12 THR CA C 13 58.8140 0.0050 A 12 THR CB C 13 66.7610 0.0050 A 12 THR N N 15 116.2470 0.0050 A 13 THR H H 1 8.1600 0.0050 A 13 THR HA H 1 4.2500 0.0050 A 13 THR CA C 13 59.3060 0.0050 A 13 THR N N 15 115.1830 0.0050 A 14 LYS H H 1 8.1600 0.0050 A 14 LYS HA H 1 4.1730 0.0050 A 14 LYS HBx H 1 1.7470 0.0050 A 14 LYS HBy H 1 1.7470 0.0050 A 14 LYS HDx H 1 1.6120 0.0050 A 14 LYS HDy H 1 1.6120 0.0050 A 14 LYS HEx H 1 2.9200 0.0050 A 14 LYS HEy H 1 2.9200 0.0050 A 14 LYS CA C 13 54.1010 0.0050 A 14 LYS CB C 13 29.9270 0.0050 A 14 LYS CD C 13 26.2460 0.0050 A 14 LYS CE C 13 39.4420 0.0050 A 14 LYS N N 15 120.2210 0.0050 A 15 ASP H H 1 8.3780 0.0050 A 15 ASP HA H 1 4.6570 0.0050 A 15 ASP HBy H 1 2.7360 0.0050 A 15 ASP HBx H 1 2.6190 0.0050 A 15 ASP CA C 13 51.1890 0.0050 A 15 ASP CB C 13 37.9200 0.0050 A 15 ASP N N 15 123.7530 0.0050 A 16 LEU H H 1 7.9530 0.0050 A 16 LEU HA H 1 4.0310 0.0050 A 16 LEU HBx H 1 2.0040 0.0050 A 16 LEU HBy H 1 2.0040 0.0050 A 16 LEU HDx% H 1 0.8570 0.0050 A 16 LEU HDy% H 1 0.8570 0.0050 A 16 LEU CA C 13 54.5350 0.0050 A 16 LEU CB C 13 30.2720 0.0050 A 16 LEU CDx C 13 22.6920 0.0050 A 16 LEU CDy C 13 22.6920 0.0050 A 16 LEU N N 15 118.7690 0.0050 A 17 LYS H H 1 8.0570 0.0050 A 17 LYS HA H 1 3.9570 0.0050 A 17 LYS HBx H 1 1.7960 0.0050 A 17 LYS HBy H 1 1.7960 0.0050 A 17 LYS HDx H 1 1.6450 0.0050 A 17 LYS HDy H 1 1.6450 0.0050 A 17 LYS HEx H 1 2.9420 0.0050 A 17 LYS HEy H 1 2.9420 0.0050 A 17 LYS HGx H 1 1.3570 0.0050 A 17 LYS HGy H 1 1.4620 0.0050 A 17 LYS CA C 13 56.0120 0.0050 A 17 LYS CB C 13 29.6380 0.0050 A 17 LYS CD C 13 26.6280 0.0050 A 17 LYS CE C 13 39.4420 0.0050 A 17 LYS CG C 13 22.1760 0.0050 A 17 LYS N N 15 121.0960 0.0050 A 18 GLU H H 1 7.8040 0.0050 A 18 GLU HA H 1 4.1370 0.0050 A 18 GLU HBx H 1 2.0340 0.0050 A 18 GLU HBy H 1 2.0340 0.0050 A 18 GLU HGx H 1 2.3260 0.0050 A 18 GLU HGy H 1 2.3260 0.0050 A 18 GLU CA C 13 54.2930 0.0050 A 18 GLU CB C 13 26.4550 0.0050 A 18 GLU CG C 13 31.6770 0.0050 A 18 GLU N N 15 118.5710 0.0050 A 19 LYS H H 1 7.9400 0.0050 A 19 LYS HA H 1 4.0970 0.0050 A 19 LYS HBx H 1 1.8250 0.0050 A 19 LYS HBy H 1 1.8250 0.0050 A 19 LYS HDx H 1 1.6120 0.0050 A 19 LYS HDy H 1 1.6120 0.0050 A 19 LYS HEx H 1 2.9310 0.0050 A 19 LYS HEy H 1 2.9310 0.0050 A 19 LYS CA C 13 54.9340 0.0050 A 19 LYS CB C 13 29.7100 0.0050 A 19 LYS CD C 13 26.6280 0.0050 A 19 LYS CE C 13 39.4420 0.0050 A 19 LYS N N 15 120.0470 0.0050 A 20 LYS H H 1 7.9690 0.0050 A 20 LYS HA H 1 4.0080 0.0050 A 20 LYS HBx H 1 1.7130 0.0050 A 20 LYS HBy H 1 1.7130 0.0050 A 20 LYS HDx H 1 1.6300 0.0050 A 20 LYS HDy H 1 1.6300 0.0050 A 20 LYS HEx H 1 2.9130 0.0050 A 20 LYS HEy H 1 2.9130 0.0050 A 20 LYS HGx H 1 1.3720 0.0050 A 20 LYS HGy H 1 1.3720 0.0050 A 20 LYS CA C 13 54.5800 0.0050 A 20 LYS CB C 13 28.9280 0.0050 A 20 LYS CD C 13 26.6280 0.0050 A 20 LYS CE C 13 39.5050 0.0050 A 20 LYS CG C 13 21.3660 0.0050 A 20 LYS N N 15 119.3610 0.0050 A 21 GLU H H 1 8.1800 0.0050 A 21 GLU HA H 1 4.1410 0.0050 A 21 GLU HBx H 1 2.0340 0.0050 A 21 GLU HBy H 1 2.0340 0.0050 A 21 GLU HGy H 1 2.4120 0.0050 A 21 GLU HGx H 1 2.3960 0.0050 A 21 GLU CA C 13 54.5800 0.0050 A 21 GLU CB C 13 26.4550 0.0050 A 21 GLU CG C 13 31.6770 0.0050 A 21 GLU N N 15 121.2060 0.0050 A 22 VAL H H 1 7.8810 0.0050 A 22 VAL HA H 1 3.8590 0.0050 A 22 VAL HB H 1 2.0840 0.0050 A 22 VAL HGx% H 1 0.9410 0.0050 A 22 VAL HGy% H 1 0.8770 0.0050 A 22 VAL CA C 13 61.4230 0.0050 A 22 VAL CB C 13 29.5470 0.0050 A 22 VAL CGy C 13 18.9150 0.0050 A 22 VAL CGx C 13 18.6170 0.0050 A 22 VAL N N 15 119.2600 0.0050 A 23 VAL H H 1 7.8810 0.0050 A 23 VAL HA H 1 3.8590 0.0050 A 23 VAL HB H 1 2.0840 0.0050 A 23 VAL HGx% H 1 0.9410 0.0050 A 23 VAL HGy% H 1 0.8770 0.0050 A 23 VAL CA C 13 61.4230 0.0050 A 23 VAL CB C 13 29.5470 0.0050 A 23 VAL CGy C 13 18.9150 0.0050 A 23 VAL CGx C 13 18.6170 0.0050 A 23 VAL N N 15 120.3820 0.0050 A 24 GLU H H 1 8.0290 0.0050 A 24 GLU HA H 1 4.2100 0.0050 A 24 GLU HBx H 1 2.0340 0.0050 A 24 GLU HBy H 1 2.0340 0.0050 A 24 GLU HGy H 1 2.4120 0.0050 A 24 GLU HGx H 1 2.3960 0.0050 A 24 GLU CA C 13 53.4530 0.0050 A 24 GLU CB C 13 26.4550 0.0050 A 24 GLU CG C 13 31.6770 0.0050 A 24 GLU N N 15 118.2080 0.0050 A 25 GLU H H 1 8.0290 0.0050 A 25 GLU HA H 1 4.2740 0.0050 A 25 GLU HBy H 1 2.0850 0.0050 A 25 GLU HBx H 1 1.9100 0.0050 A 25 GLU HGx H 1 2.3660 0.0050 A 25 GLU HGy H 1 2.3660 0.0050 A 25 GLU CA C 13 53.4070 0.0050 A 25 GLU CB C 13 26.4550 0.0050 A 25 GLU CG C 13 31.6770 0.0050 A 25 GLU N N 15 121.9790 0.0050 A 26 ALA H H 1 7.9980 0.0050 A 26 ALA HA H 1 4.2400 0.0050 A 26 ALA HB% H 1 1.3070 0.0050 A 26 ALA CA C 13 49.8750 0.0050 A 26 ALA CB C 13 16.4910 0.0050 A 26 ALA N N 15 123.8230 0.0050 A 27 GLU H H 1 8.0180 0.0050 A 27 GLU HA H 1 4.2530 0.0050 A 27 GLU HBy H 1 2.0850 0.0050 A 27 GLU HBx H 1 1.9100 0.0050 A 27 GLU HGx H 1 2.3670 0.0050 A 27 GLU CA C 13 53.3510 0.0050 A 27 GLU CB C 13 26.4550 0.0050 A 27 GLU CG C 13 31.6770 0.0050 A 27 GLU N N 15 118.6270 0.0050 A 28 ASN H H 1 7.8690 0.0050 A 28 ASN HA H 1 4.4390 0.0050 A 28 ASN HBy H 1 2.7020 0.0050 A 28 ASN HBx H 1 2.6170 0.0050 A 28 ASN HD2y H 1 7.4550 0.0050 A 28 ASN HD2x H 1 6.7760 0.0050 A 28 ASN CA C 13 51.8790 0.0050 A 28 ASN CB C 13 37.8560 0.0050 A 28 ASN N N 15 124.1490 0.0050 A 28 ASN ND2 N 15 112.8590 0.0050 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 ASP H A 1 SER HA 1.0 1.8 3.50 2 2 A 2 ASP H A 1 SER HA 1.0 1.8 3.50 3 3 A 2 ASP H A 3 ALA H 1.0 1.8 2.80 4 4 A 3 ALA H A 2 ASP HBx 1.0 1.8 3.70 5 4 A 3 ALA H A 2 ASP HBy 1.0 1.8 3.70 6 5 A 2 ASP H A 3 ALA H 1.0 1.8 2.80 7 6 A 4 ALA H A 3 ALA HA 1.0 1.8 3.50 8 7 A 3 ALA H A 4 ALA H 1.0 1.8 2.80 9 8 A 4 ALA HB% A 5 VAL H 1.0 1.8 4.88 10 9 A 4 ALA H A 5 VAL H 1.0 1.8 2.80 11 10 A 4 ALA H A 5 VAL H 1.0 1.8 2.80 12 11 A 5 VAL H A 6 ASP H 1.0 1.8 2.80 13 12 A 6 ASP H A 5 VAL HA 1.0 1.8 3.50 14 13 A 7 THR H A 6 ASP HBy 1.0 1.8 3.70 15 13 A 7 THR H A 6 ASP HBx 1.0 1.8 3.70 16 14 A 7 THR H A 6 ASP HBy 1.0 1.8 3.70 17 14 A 7 THR H A 6 ASP HBx 1.0 1.8 3.70 18 15 A 7 THR H A 6 ASP HA 1.0 1.8 3.50 19 16 A 7 THR H A 6 ASP HA 1.0 1.8 3.50 20 17 A 8 SER HA A 9 SER H 1.0 1.8 3.50 21 18 A 9 SER H A 8 SER H 1.0 1.8 2.80 22 19 A 9 SER H A 10 GLU H 1.0 1.8 2.80 23 20 A 10 GLU H A 9 SER HA 1.0 1.8 4.19 24 21 A 10 GLU H A 11 ILE H 1.0 1.8 2.80 25 22 A 11 ILE H A 10 GLU HBy 1.0 1.8 3.70 26 22 A 11 ILE H A 10 GLU HBx 1.0 1.8 3.70 27 23 A 11 ILE H A 10 GLU HA 1.0 1.8 3.50 28 24 A 11 ILE H A 10 GLU HA 1.0 1.8 3.50 29 25 A 11 ILE H A 10 GLU HBy 1.0 1.8 3.70 30 25 A 11 ILE H A 10 GLU HBx 1.0 1.8 3.70 31 26 A 12 THR H A 11 ILE HA 1.0 1.8 3.50 32 27 A 12 THR H A 13 THR H 1.0 1.8 2.80 33 28 A 13 THR H A 12 THR HA 1.0 1.8 3.50 34 29 A 15 ASP H A 14 LYS H 1.0 1.8 2.80 35 30 A 15 ASP H A 14 LYS HA 1.0 1.8 3.50 36 31 A 15 ASP H A 14 LYS H 1.0 1.8 2.80 37 32 A 15 ASP H A 16 LEU H 1.0 1.8 2.80 38 33 A 15 ASP H A 16 LEU H 1.0 1.8 2.80 39 34 A 16 LEU H A 15 ASP HBy 1.0 1.8 3.70 40 34 A 16 LEU H A 15 ASP HBx 1.0 1.8 3.70 41 35 A 16 LEU H A 17 LYS H 1.0 1.8 2.80 42 36 A 16 LEU H A 17 LYS H 1.0 1.8 2.80 43 37 A 17 LYS H A 16 LEU HBx 1.0 1.8 3.70 44 37 A 17 LYS H A 16 LEU HBy 1.0 1.8 3.70 45 38 A 16 LEU H A 17 LYS H 1.0 1.8 2.80 46 39 A 17 LYS H A 16 LEU HA 1.0 1.8 3.50 47 40 A 18 GLU H A 17 LYS HA 1.0 1.8 3.50 48 41 A 18 GLU H A 17 LYS HA 1.0 1.8 3.50 49 42 A 18 GLU H A 17 LYS HBx 1.0 1.8 3.70 50 42 A 18 GLU H A 17 LYS HBy 1.0 1.8 3.70 51 43 A 17 LYS H A 18 GLU H 1.0 1.8 2.80 52 44 A 17 LYS H A 18 GLU H 1.0 1.8 2.80 53 45 A 19 LYS H A 18 GLU HA 1.0 1.8 3.50 54 46 A 18 GLU H A 19 LYS H 1.0 1.8 2.80 55 47 A 19 LYS H A 18 GLU HBx 1.0 1.8 3.70 56 47 A 19 LYS H A 18 GLU HBy 1.0 1.8 3.70 57 48 A 20 LYS H A 19 LYS HBx 1.0 1.8 3.70 58 48 A 20 LYS H A 19 LYS HBy 1.0 1.8 3.70 59 49 A 22 VAL H A 21 GLU HBx 1.0 1.8 3.70 60 49 A 22 VAL H A 21 GLU HBy 1.0 1.8 3.70 61 50 A 22 VAL H A 21 GLU H 1.0 1.8 2.80 62 51 A 24 GLU H A 23 VAL H 1.0 1.8 2.80 63 52 A 24 GLU H A 23 VAL HA 1.0 1.8 3.50 64 53 A 25 GLU H A 24 GLU HA 1.0 1.8 3.50 65 54 A 25 GLU H A 24 GLU HBx 1.0 1.8 3.70 66 54 A 25 GLU H A 24 GLU HBy 1.0 1.8 3.70 67 55 A 25 GLU HA A 26 ALA H 1.0 1.8 3.50 68 56 A 26 ALA H A 25 GLU HBy 1.0 1.8 3.70 69 56 A 26 ALA H A 25 GLU HBx 1.0 1.8 3.70 70 57 A 26 ALA HA A 27 GLU H 1.0 1.8 3.50 71 58 A 26 ALA HA A 27 GLU H 1.0 1.8 3.50 72 59 A 27 GLU H A 26 ALA HB% 1.0 1.8 3.70 73 60 A 26 ALA HA A 27 GLU H 1.0 1.8 3.50 74 61 A 27 GLU HA A 28 ASN H 1.0 1.8 3.50 75 62 A 27 GLU H A 28 ASN H 1.0 1.8 2.80 76 63 A 27 GLU H A 28 ASN H 1.0 1.8 2.80 77 64 A 27 GLU HA A 28 ASN H 1.0 1.8 3.50 78 65 A 1 SER HA A 4 ALA H 1.0 1.7 3.90 79 66 A 1 SER HA A 4 ALA HB% 1.0 1.8 4.40 80 67 A 2 ASP H A 4 ALA H 1.0 1.8 4.20 81 68 A 2 ASP HBy A 4 ALA H 1.0 1.8 5.51 82 69 A 4 ALA HB% A 2 ASP HA 1.0 1.8 6.00 83 70 A 2 ASP H A 4 ALA H 1.0 1.8 4.20 84 71 A 4 ALA HB% A 6 ASP H 1.0 1.8 6.00 85 72 A 4 ALA HB% A 8 SER H 1.0 1.8 6.00 86 73 A 4 ALA HA A 6 ASP HBy 1.0 1.8 6.00 87 73 A 6 ASP HBx A 4 ALA HA 1.0 1.8 6.00 88 74 A 5 VAL H A 8 SER H 1.0 1.8 4.50 89 75 A 5 VAL HA A 7 THR H 1.0 1.8 4.40 90 76 A 5 VAL HA A 8 SER H 1.0 1.8 3.50 91 77 A 9 SER H A 7 THR HA 1.0 1.8 4.40 92 78 A 9 SER H A 7 THR HA 1.0 1.8 4.40 93 79 A 8 SER HA A 10 GLU H 1.0 1.8 4.40 94 80 A 8 SER HA A 11 ILE H 1.0 1.8 3.50 95 81 A 8 SER HA A 10 GLU H 1.0 1.8 4.40 96 82 A 9 SER HA A 11 ILE H 1.0 1.8 4.40 97 83 A 12 THR HA A 14 LYS HBx 1.0 1.8 6.00 98 83 A 12 THR HA A 14 LYS HBy 1.0 1.8 6.00 99 84 A 12 THR HA A 16 LEU H 1.0 1.4 4.20 100 85 A 15 ASP H A 13 THR HA 1.0 1.8 4.40 101 86 A 14 LYS HA A 16 LEU H 1.0 1.8 4.40 102 87 A 14 LYS HA A 16 LEU HBx 1.0 1.8 4.83 103 87 A 14 LYS HA A 16 LEU HBy 1.0 1.8 4.83 104 88 A 14 LYS HA A 17 LYS H 1.0 1.8 3.50 105 89 A 14 LYS H A 16 LEU H 1.0 1.8 4.20 106 90 A 17 LYS H A 15 ASP HBy 1.0 1.8 4.79 107 90 A 15 ASP HBx A 17 LYS H 1.0 1.8 4.79 108 91 A 17 LYS H A 15 ASP HBy 1.0 1.8 4.88 109 91 A 15 ASP HBx A 17 LYS H 1.0 1.8 4.88 110 92 A 16 LEU HA A 19 LYS H 1.0 1.8 3.50 111 93 A 17 LYS HA A 20 LYS H 1.0 1.8 3.50 112 94 A 17 LYS HA A 21 GLU H 1.0 1.4 4.20 113 95 A 19 LYS H A 17 LYS HBx 1.0 1.8 5.97 114 95 A 17 LYS HBy A 19 LYS H 1.0 1.8 5.97 115 96 A 18 GLU HA A 21 GLU H 1.0 1.8 3.50 116 97 A 18 GLU H A 20 LYS H 1.0 1.8 4.20 117 98 A 22 VAL H A 19 LYS HA 1.0 1.8 3.50 118 99 A 22 VAL H A 20 LYS HBx 1.0 1.8 5.52 119 99 A 22 VAL H A 20 LYS HBy 1.0 1.8 5.52 120 100 A 22 VAL H A 20 LYS HA 1.0 1.8 4.40 121 101 A 23 VAL H A 20 LYS HA 1.0 1.8 3.50 122 102 A 23 VAL HA A 26 ALA H 1.0 1.8 3.50 123 103 A 23 VAL HA A 26 ALA HB% 1.0 1.8 4.40 124 104 A 24 GLU HA A 26 ALA HB% 1.0 1.8 5.05 125 105 A 26 ALA H A 24 GLU HBx 1.0 1.8 4.62 126 105 A 24 GLU HBy A 26 ALA H 1.0 1.8 4.62 127 106 A 26 ALA H A 28 ASN H 1.0 1.8 4.20 128 107 A 26 ALA HB% A 28 ASN H 1.0 1.8 5.82 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 1 SER C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -59.00 -39.00 PHI 2 2 A 2 ASP C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -59.00 -39.00 PHI 3 3 A 3 ALA C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -59.00 -39.00 PHI 4 4 A 4 ALA C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -59.00 -39.00 PHI 5 5 A 5 VAL C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -59.00 -39.00 PHI 6 6 A 6 ASP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -59.00 -39.00 PHI 7 7 A 7 THR C A 8 SER N A 8 SER CA A 8 SER C 1.0 -59.00 -39.00 PHI 8 8 A 8 SER C A 9 SER N A 9 SER CA A 9 SER C 1.0 -69.00 -29.00 PHI 9 9 A 9 SER C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -69.00 -29.00 PHI 10 10 A 12 THR C A 13 THR N A 13 THR CA A 13 THR C 1.0 -86.41 -46.41 PHI 11 11 A 13 THR C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -74.18 -54.18 PHI 12 12 A 14 LYS C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -74.42 -54.42 PHI 13 13 A 15 ASP C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -75.44 -55.44 PHI 14 14 A 16 LEU C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -68.67 -48.67 PHI 15 15 A 17 LYS C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -75.92 -55.92 PHI 16 16 A 18 GLU C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -72.95 -52.95 PHI 17 17 A 19 LYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -73.95 -53.95 PHI 18 18 A 20 LYS C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -73.62 -53.62 PHI 19 19 A 21 GLU C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -59.00 -39.00 PHI 20 20 A 22 VAL C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -59.00 -39.00 PHI 21 21 A 23 VAL C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -59.00 -39.00 PHI 22 22 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -59.00 -39.00 PHI 23 23 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -69.00 -29.00 PHI 24 24 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -79.00 -19.00 PHI 25 25 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 ALA N 1.0 -37.00 -15.00 PSI 26 26 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 ALA N 1.0 -37.00 -15.00 PSI 27 27 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 VAL N 1.0 -37.00 -15.00 PSI 28 28 A 5 VAL N A 5 VAL CA A 5 VAL C A 6 ASP N 1.0 -37.00 -15.00 PSI 29 29 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 THR N 1.0 -37.00 -15.00 PSI 30 30 A 7 THR N A 7 THR CA A 7 THR C A 8 SER N 1.0 -37.00 -15.00 PSI 31 31 A 8 SER N A 8 SER CA A 8 SER C A 9 SER N 1.0 -37.00 -15.00 PSI 32 32 A 9 SER N A 9 SER CA A 9 SER C A 10 GLU N 1.0 -47.00 -5.00 PSI 33 33 A 13 THR N A 13 THR CA A 13 THR C A 14 LYS N 1.0 -62.09 -20.09 PSI 34 34 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ASP N 1.0 -52.13 -30.13 PSI 35 35 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 LEU N 1.0 -49.92 -27.92 PSI 36 36 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LYS N 1.0 -53.22 -31.22 PSI 37 37 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 GLU N 1.0 -55.07 -33.07 PSI 38 38 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 LYS N 1.0 -52.57 -30.57 PSI 39 39 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LYS N 1.0 -50.77 -28.77 PSI 40 40 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 GLU N 1.0 -52.44 -30.44 PSI 41 41 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 VAL N 1.0 -53.54 -31.54 PSI 42 42 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 VAL N 1.0 -37.00 -15.00 PSI 43 43 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLU N 1.0 -37.00 -15.00 PSI 44 44 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 GLU N 1.0 -37.00 -15.00 PSI 45 45 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 -37.00 -15.00 PSI 46 46 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -47.00 -5.00 PSI 47 47 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 ASN N 1.0 -58.00 6.00 PSI stop_ save_