data_nef_c30776_7jgy 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 7JGY 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 12 LEU C 1 13 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 LEU middle . . 3 A 3 GLY middle . false 4 A 4 THR middle . . 5 A 5 ILE middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 LEU middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLY middle . false 12 A 12 LEU middle -OXT . 13 A 13 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 HA H 1 3.900 0.001 A 1 ILE HB H 1 2.010 0.002 A 1 ILE HD1% H 1 0.966 0.003 A 1 ILE HG1y H 1 1.545 0.003 A 1 ILE HG1x H 1 1.287 0.007 A 1 ILE HG2% H 1 1.044 0.001 A 1 ILE CA C 13 63.647 0.000 A 1 ILE CB C 13 42.106 0.000 A 1 ILE CD1 C 13 15.528 0.000 A 1 ILE CG1 C 13 29.501 0.001 A 1 ILE CG2 C 13 19.182 0.000 A 2 LEU H H 1 8.352 0.003 A 2 LEU HA H 1 4.382 0.001 A 2 LEU HBx H 1 1.707 0.001 A 2 LEU HBy H 1 1.707 0.001 A 2 LEU HDx% H 1 0.958 0.001 A 2 LEU HDy% H 1 0.986 0.004 A 2 LEU HG H 1 1.708 0.002 A 2 LEU CA C 13 58.987 0.000 A 2 LEU CB C 13 45.074 0.000 A 2 LEU CDx C 13 26.280 0.000 A 2 LEU CDy C 13 26.540 0.000 A 2 LEU CG C 13 29.678 0.000 A 2 LEU N N 15 125.264 0.000 A 3 GLY H H 1 8.504 0.003 A 3 GLY HAy H 1 3.943 0.020 A 3 GLY HAx H 1 3.918 0.021 A 3 GLY CA C 13 49.187 0.000 A 3 GLY N N 15 107.837 0.000 A 4 THR H H 1 7.702 0.002 A 4 THR HA H 1 4.230 0.003 A 4 THR HB H 1 4.233 0.001 A 4 THR HG2% H 1 1.281 0.001 A 4 THR CA C 13 66.485 0.000 A 4 THR CB C 13 72.341 0.000 A 4 THR CG2 C 13 24.210 0.000 A 4 THR N N 15 113.752 0.000 A 5 ILE H H 1 7.665 0.001 A 5 ILE HA H 1 3.996 0.003 A 5 ILE HB H 1 2.023 0.003 A 5 ILE HD1% H 1 0.908 0.002 A 5 ILE HG1y H 1 1.575 0.002 A 5 ILE HG1x H 1 1.315 0.011 A 5 ILE HG2% H 1 0.967 0.002 A 5 ILE CA C 13 66.046 0.000 A 5 ILE CB C 13 40.621 0.000 A 5 ILE CD1 C 13 14.685 0.000 A 5 ILE CG1 C 13 30.897 0.002 A 5 ILE CG2 C 13 19.515 0.000 A 5 ILE N N 15 120.620 0.000 A 6 LEU H H 1 7.845 0.002 A 6 LEU HA H 1 4.100 0.004 A 6 LEU HBy H 1 1.744 0.004 A 6 LEU HBx H 1 1.579 0.003 A 6 LEU HDx% H 1 0.907 0.012 A 6 LEU HDy% H 1 0.921 0.020 A 6 LEU HG H 1 1.744 0.003 A 6 LEU CA C 13 60.674 0.000 A 6 LEU CB C 13 44.154 0.009 A 6 LEU CDy C 13 27.520 0.001 A 6 LEU CDx C 13 25.137 0.000 A 6 LEU CG C 13 29.551 0.000 A 6 LEU N N 15 119.791 0.000 A 7 GLY H H 1 7.978 0.001 A 7 GLY HAy H 1 3.862 0.006 A 7 GLY HAx H 1 3.836 0.019 A 7 GLY CA C 13 49.478 0.007 A 7 GLY N N 15 104.425 0.000 A 8 LEU H H 1 7.740 0.001 A 8 LEU HA H 1 4.250 0.002 A 8 LEU HBy H 1 1.905 0.002 A 8 LEU HBx H 1 1.739 0.004 A 8 LEU HDx% H 1 0.916 0.017 A 8 LEU HDy% H 1 0.905 0.007 A 8 LEU HG H 1 1.902 0.006 A 8 LEU CA C 13 60.156 0.000 A 8 LEU CB C 13 44.689 0.001 A 8 LEU CDx C 13 26.934 0.000 A 8 LEU CDy C 13 26.934 0.000 A 8 LEU CG C 13 29.345 0.000 A 8 LEU N N 15 122.446 0.000 A 9 LEU H H 1 8.144 0.001 A 9 LEU HA H 1 4.136 0.003 A 9 LEU HBy H 1 1.903 0.002 A 9 LEU HBx H 1 1.546 0.001 A 9 LEU HDx% H 1 0.866 0.010 A 9 LEU HDy% H 1 0.866 0.010 A 9 LEU HG H 1 1.899 0.006 A 9 LEU CA C 13 60.027 0.000 A 9 LEU CB C 13 44.444 0.000 A 9 LEU CDx C 13 24.530 0.000 A 9 LEU CDy C 13 24.530 0.000 A 9 LEU CG C 13 29.345 0.000 A 9 LEU N N 15 118.597 0.000 A 10 LYS H H 1 8.109 0.002 A 10 LYS HA H 1 4.167 0.003 A 10 LYS HBx H 1 1.946 0.002 A 10 LYS HBy H 1 1.947 0.002 A 10 LYS HDx H 1 1.714 0.001 A 10 LYS HDy H 1 1.714 0.001 A 10 LYS HEx H 1 2.998 0.003 A 10 LYS HEy H 1 2.998 0.003 A 10 LYS HGy H 1 1.565 0.008 A 10 LYS HGx H 1 1.534 0.019 A 10 LYS CA C 13 60.579 0.000 A 10 LYS CB C 13 35.033 0.000 A 10 LYS CD C 13 31.637 0.000 A 10 LYS CE C 13 44.756 0.000 A 10 LYS CG C 13 27.447 0.000 A 10 LYS N N 15 117.837 0.000 A 11 GLY H H 1 7.931 0.000 A 11 GLY HAy H 1 4.013 0.004 A 11 GLY HAx H 1 3.947 0.002 A 11 GLY CA C 13 48.476 0.016 A 11 GLY N N 15 106.669 0.000 A 12 LEU H H 1 7.880 0.001 A 12 LEU HA H 1 4.313 0.001 A 12 LEU HBy H 1 1.800 0.001 A 12 LEU HBx H 1 1.615 0.002 A 12 LEU HDx% H 1 0.905 0.015 A 12 LEU HDy% H 1 0.898 0.009 A 12 LEU HG H 1 1.800 0.002 A 12 LEU CA C 13 58.152 0.000 A 12 LEU CB C 13 45.257 0.014 A 12 LEU CDy C 13 27.521 0.000 A 12 LEU CDx C 13 27.520 0.000 A 12 LEU CG C 13 29.406 0.000 A 12 LEU N N 15 121.165 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 LEU HA A 3 GLY H 1.0 . 3.56 2 2 A 1 ILE HA A 1 ILE HG2% 1.0 . 3.80 3 3 A 1 ILE HA A 1 ILE HD1% 1.0 . 4.08 4 4 A 4 THR H A 4 THR HB 1.0 . 3.77 5 5 A 4 THR HB A 5 ILE H 1.0 . 4.27 6 6 A 5 ILE HA A 8 LEU H 1.0 . 4.41 7 7 A 5 ILE HB A 6 LEU H 1.0 . 4.06 8 8 A 5 ILE H A 5 ILE HB 1.0 . 3.42 9 9 A 11 GLY H A 10 LYS HBx 1.0 . 4.92 10 10 A 11 GLY H A 10 LYS HBy 1.0 . 4.92 11 11 A 10 LYS H A 10 LYS HBx 1.0 . 3.77 12 12 A 10 LYS H A 10 LYS HBy 1.0 . 3.77 13 13 A 8 LEU H A 8 LEU HBy 1.0 . 3.64 14 14 A 7 GLY H A 6 LEU HBy 1.0 . 4.78 15 15 A 8 LEU H A 8 LEU HBx 1.0 . 3.64 16 16 A 3 GLY H A 2 LEU HBx 1.0 . 4.78 17 17 A 3 GLY H A 2 LEU HBy 1.0 . 4.78 18 18 A 7 GLY H A 6 LEU HBx 1.0 . 4.78 19 19 A 5 ILE H A 5 ILE HG1y 1.0 . 4.14 20 20 A 5 ILE H A 5 ILE HG1x 1.0 . 4.14 21 21 A 4 THR H A 4 THR HG2% 1.0 . 4.22 22 22 A 6 LEU H A 5 ILE HG2% 1.0 . 4.65 23 23 A 5 ILE H A 5 ILE HG2% 1.0 . 4.48 24 24 A 8 LEU H A 9 LEU H 1.0 . 3.94 25 25 A 5 ILE H A 6 LEU H 1.0 . 3.86 26 26 A 11 GLY H A 10 LYS H 1.0 . 3.82 27 27 A 8 LEU H A 7 GLY H 1.0 . 3.96 28 28 A 2 LEU HA A 2 LEU HG 1.0 . 4.05 29 29 A 2 LEU HA A 2 LEU HDy% 1.0 . 3.94 30 30 A 2 LEU HA A 2 LEU HDx% 1.0 . 3.94 31 31 A 12 LEU HA A 12 LEU HDx% 1.0 . 4.55 32 32 A 12 LEU HA A 12 LEU HDy% 1.0 . 4.55 33 33 A 4 THR HG2% A 4 THR HA 1.0 . 3.31 34 34 A 10 LYS HA A 10 LYS HDx 1.0 . 5.43 35 35 A 10 LYS HA A 10 LYS HDy 1.0 . 5.43 36 36 A 9 LEU HA A 9 LEU HDx% 1.0 . 4.62 37 37 A 9 LEU HA A 9 LEU HDy% 1.0 . 4.62 38 38 A 6 LEU HA A 6 LEU HG 1.0 . 4.21 39 39 A 5 ILE HA A 8 LEU HBy 1.0 . 4.92 40 40 A 5 ILE HA A 8 LEU HBx 1.0 . 4.92 41 41 A 5 ILE HA A 5 ILE HG2% 1.0 . 3.65 42 42 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.17 43 43 A 10 LYS HA A 10 LYS HEx 1.0 . 5.50 44 44 A 10 LYS HA A 10 LYS HEy 1.0 . 5.50 45 45 A 3 GLY H A 4 THR H 1.0 . 4.57 46 46 A 2 LEU HA A 2 LEU HDx% 1.0 . 3.37 47 46 A 2 LEU HA A 2 LEU HDy% 1.0 . 3.37 48 47 A 3 GLY H A 2 LEU HBy 1.0 . 4.08 49 47 A 3 GLY H A 2 LEU HBx 1.0 . 4.08 50 48 A 5 ILE HA A 8 LEU HBx 1.0 . 4.06 51 48 A 5 ILE HA A 8 LEU HBy 1.0 . 4.06 52 49 A 6 LEU H A 6 LEU HBx 1.0 . 3.19 53 49 A 6 LEU H A 6 LEU HBy 1.0 . 3.19 54 50 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.21 55 50 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.21 56 51 A 7 GLY H A 6 LEU HBx 1.0 . 4.14 57 51 A 7 GLY H A 6 LEU HBy 1.0 . 4.14 58 52 A 8 LEU H A 8 LEU HBx 1.0 . 3.19 59 52 A 8 LEU H A 8 LEU HBy 1.0 . 3.19 60 53 A 8 LEU HA A 8 LEU HDx% 1.0 . 3.41 61 53 A 8 LEU HA A 8 LEU HDy% 1.0 . 3.41 62 54 A 9 LEU H A 8 LEU HBx 1.0 . 4.26 63 54 A 9 LEU H A 8 LEU HBy 1.0 . 4.26 64 55 A 9 LEU H A 9 LEU HBy 1.0 . 3.03 65 55 A 9 LEU H A 9 LEU HBx 1.0 . 3.03 66 56 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.97 67 56 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.97 68 57 A 10 LYS H A 9 LEU HBy 1.0 . 4.27 69 57 A 10 LYS H A 9 LEU HBx 1.0 . 4.27 70 58 A 10 LYS H A 10 LYS HBy 1.0 . 3.13 71 58 A 10 LYS H A 10 LYS HBx 1.0 . 3.13 72 59 A 10 LYS HA A 10 LYS HDy 1.0 . 4.68 73 59 A 10 LYS HA A 10 LYS HDx 1.0 . 4.68 74 60 A 11 GLY H A 10 LYS HBy 1.0 . 4.29 75 60 A 11 GLY H A 10 LYS HBx 1.0 . 4.29 76 61 A 12 LEU H A 12 LEU HBy 1.0 . 3.11 77 61 A 12 LEU H A 12 LEU HBx 1.0 . 3.11 78 62 A 12 LEU HA A 12 LEU HDy% 1.0 . 3.91 79 62 A 12 LEU HA A 12 LEU HDx% 1.0 . 3.91 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 7 GLY H A 3 GLY O 1.0 . 2.0 2 2 A 3 GLY O A 7 GLY N 1.0 . 3.0 3 3 A 11 GLY H A 7 GLY O 1.0 . 2.0 4 4 A 7 GLY O A 11 GLY N 1.0 . 3.0 5 5 A 12 LEU H A 8 LEU O 1.0 . 2.0 6 6 A 8 LEU O A 12 LEU N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 LEU N A 2 LEU CA A 2 LEU C 1.0 -82.0 -42.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 GLY N 1.0 -57.3 -17.3 PSI 3 3 A 2 LEU C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -82.1 -42.1 PHI 4 4 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 THR N 1.0 -62.7 -22.7 PSI 5 5 A 3 GLY C A 4 THR N A 4 THR CA A 4 THR C 1.0 -86.7 -46.7 PHI 6 6 A 4 THR N A 4 THR CA A 4 THR C A 5 ILE N 1.0 -60.1 -20.1 PSI 7 7 A 4 THR C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -85.3 -45.3 PHI 8 8 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 LEU N 1.0 -63.9 -23.9 PSI 9 9 A 5 ILE C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -84.4 -44.4 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLY N 1.0 -62.6 -22.6 PSI 11 11 A 6 LEU C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -83.2 -43.2 PHI 12 12 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LEU N 1.0 -60.1 -20.1 PSI 13 13 A 7 GLY C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -83.5 -43.5 PHI 14 14 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LEU N 1.0 -64.1 -24.1 PSI 15 15 A 8 LEU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -83.8 -43.8 PHI 16 16 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LYS N 1.0 -62.1 -22.1 PSI 17 17 A 9 LEU C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -82.9 -42.9 PHI 18 18 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLY N 1.0 -59.9 -19.9 PSI 19 19 A 10 LYS C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 -81.9 -41.9 PHI 20 20 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 LEU N 1.0 -58.0 -18.0 PSI stop_ save_