data_nef_c30440_6csz 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 6CSZ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 PRO start . false 2 A 2 MET middle . . 3 A 3 ALA middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 LEU middle . . 7 A 7 PRO middle . false 8 A 8 ARG middle . . 9 A 9 ILE middle . . 10 A 10 LYS middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 ALA middle . . 18 A 18 PHE middle . . 19 A 19 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 1 PRO HA H 1 4.382 0.002 A 1 PRO HBy H 1 2.459 0.005 A 1 PRO HBx H 1 1.980 0.000 A 1 PRO HDy H 1 3.398 0.001 A 1 PRO HDx H 1 3.381 0.001 A 1 PRO HGy H 1 2.052 0.000 A 1 PRO HGx H 1 2.011 0.001 A 1 PRO CA C 13 62.293 0.000 A 1 PRO CB C 13 32.463 0.000 A 2 MET H H 1 8.645 0.002 A 2 MET HA H 1 4.454 0.002 A 2 MET HBy H 1 2.079 0.000 A 2 MET HBx H 1 2.015 0.002 A 2 MET HE% H 1 2.050 0.004 A 2 MET HGy H 1 2.595 0.001 A 2 MET HGx H 1 2.555 0.002 A 2 MET CA C 13 56.224 0.000 A 2 MET CB C 13 32.640 0.054 A 2 MET CE C 13 16.487 0.000 A 2 MET CG C 13 31.922 0.005 A 2 MET N N 15 120.280 0.000 A 3 ALA H H 1 8.253 0.003 A 3 ALA HA H 1 4.162 0.002 A 3 ALA HB% H 1 1.390 0.002 A 3 ALA CA C 13 53.859 0.000 A 3 ALA CB C 13 18.628 0.000 A 3 ALA N N 15 124.396 0.000 A 4 LYS H H 1 7.907 0.001 A 4 LYS HA H 1 4.195 0.002 A 4 LYS HBy H 1 1.838 0.010 A 4 LYS HBx H 1 1.750 0.005 A 4 LYS HDy H 1 1.695 0.001 A 4 LYS HDx H 1 1.665 0.000 A 4 LYS HEy H 1 2.968 0.001 A 4 LYS HEx H 1 2.944 0.001 A 4 LYS HGy H 1 1.435 0.001 A 4 LYS HGx H 1 1.397 0.001 A 4 LYS CA C 13 57.153 0.000 A 4 LYS CB C 13 32.679 0.024 A 4 LYS CD C 13 29.080 0.000 A 4 LYS CE C 13 42.170 0.000 A 4 LYS CG C 13 25.205 0.008 A 4 LYS N N 15 116.497 0.000 A 5 LEU H H 1 7.705 0.001 A 5 LEU HA H 1 4.343 0.004 A 5 LEU HBy H 1 1.646 0.000 A 5 LEU HBx H 1 1.635 0.001 A 5 LEU HDx% H 1 0.904 0.001 A 5 LEU HDy% H 1 0.841 0.000 A 5 LEU HG H 1 1.617 0.000 A 5 LEU CA C 13 55.493 0.000 A 5 LEU CB C 13 42.954 0.001 A 5 LEU CDy C 13 24.120 0.000 A 5 LEU CDx C 13 23.174 0.000 A 5 LEU CG C 13 27.212 0.000 A 5 LEU N N 15 122.029 0.000 A 6 LEU H H 1 7.675 0.002 A 6 LEU HA H 1 4.291 0.002 A 6 LEU HBy H 1 1.769 0.001 A 6 LEU HBx H 1 1.734 0.003 A 6 LEU HDx% H 1 0.939 0.003 A 6 LEU HDy% H 1 0.879 0.001 A 6 LEU HG H 1 1.625 0.000 A 6 LEU CA C 13 55.809 0.000 A 6 LEU CB C 13 40.220 0.004 A 6 LEU CDy C 13 24.112 0.000 A 6 LEU CDx C 13 23.086 0.000 A 6 LEU CG C 13 27.251 0.000 A 6 LEU N N 15 120.409 0.000 A 7 PRO HA H 1 4.217 0.004 A 7 PRO HBy H 1 2.329 0.004 A 7 PRO HBx H 1 1.822 0.002 A 7 PRO HDy H 1 3.714 0.001 A 7 PRO HDx H 1 3.621 0.002 A 7 PRO HGy H 1 2.083 0.006 A 7 PRO HGx H 1 1.963 0.006 A 7 PRO CA C 13 65.880 0.000 A 7 PRO CB C 13 31.319 0.000 A 8 ARG H H 1 7.457 0.001 A 8 ARG HA H 1 4.068 0.004 A 8 ARG HBy H 1 1.975 0.001 A 8 ARG HBx H 1 1.915 0.000 A 8 ARG HDy H 1 3.180 0.001 A 8 ARG HDx H 1 3.152 0.002 A 8 ARG HE H 1 7.199 0.001 A 8 ARG HGy H 1 1.751 0.001 A 8 ARG HGx H 1 1.656 0.003 A 8 ARG CA C 13 58.583 0.000 A 8 ARG CB C 13 30.033 0.000 A 8 ARG CD C 13 43.391 0.034 A 8 ARG CG C 13 27.600 0.000 A 8 ARG N N 15 115.174 0.000 A 9 ILE H H 1 7.793 0.002 A 9 ILE HA H 1 3.792 0.003 A 9 ILE HB H 1 1.953 0.001 A 9 ILE HD1% H 1 0.812 0.013 A 9 ILE HG1x H 1 1.129 0.002 A 9 ILE HG1y H 1 1.589 0.001 A 9 ILE HG2% H 1 0.889 0.001 A 9 ILE CA C 13 64.095 0.000 A 9 ILE CB C 13 38.244 0.000 A 9 ILE CD1 C 13 12.353 0.000 A 9 ILE CG1 C 13 28.303 0.006 A 9 ILE CG2 C 13 16.695 0.000 A 9 ILE N N 15 119.933 0.000 A 10 LYS H H 1 8.200 0.001 A 10 LYS HA H 1 3.890 0.002 A 10 LYS HBx H 1 1.784 0.001 A 10 LYS HBy H 1 1.843 0.002 A 10 LYS HDy H 1 1.645 0.000 A 10 LYS HDx H 1 1.625 0.001 A 10 LYS HGx H 1 1.335 0.004 A 10 LYS HGy H 1 1.475 0.001 A 10 LYS CA C 13 59.868 0.000 A 10 LYS CB C 13 32.805 0.000 A 10 LYS CD C 13 29.329 0.004 A 10 LYS CG C 13 25.345 0.000 A 10 LYS N N 15 119.698 0.000 A 11 LYS H H 1 7.691 0.001 A 11 LYS HA H 1 3.947 0.003 A 11 LYS HBx H 1 1.796 0.000 A 11 LYS HBy H 1 1.880 0.001 A 11 LYS HDx H 1 1.656 0.000 A 11 LYS HDy H 1 1.679 0.000 A 11 LYS HEx H 1 2.966 0.001 A 11 LYS HEy H 1 2.997 0.000 A 11 LYS HGy H 1 1.438 0.000 A 11 LYS HGx H 1 1.382 0.006 A 11 LYS CA C 13 59.498 0.000 A 11 LYS CB C 13 32.647 0.013 A 11 LYS CD C 13 29.432 0.006 A 11 LYS CE C 13 42.345 0.000 A 11 LYS CG C 13 24.531 0.010 A 11 LYS N N 15 116.350 0.000 A 12 LYS H H 1 7.634 0.001 A 12 LYS HA H 1 4.048 0.004 A 12 LYS HBx H 1 1.954 0.002 A 12 LYS HBy H 1 1.988 0.003 A 12 LYS HDy H 1 1.663 0.001 A 12 LYS HDx H 1 1.605 0.004 A 12 LYS HEx H 1 2.970 0.000 A 12 LYS HEy H 1 2.986 0.000 A 12 LYS HGy H 1 1.537 0.001 A 12 LYS HGx H 1 1.407 0.001 A 12 LYS CA C 13 59.047 0.000 A 12 LYS CB C 13 32.331 0.000 A 12 LYS CD C 13 29.642 0.005 A 12 LYS CE C 13 41.974 0.003 A 12 LYS CG C 13 25.254 0.006 A 12 LYS N N 15 119.147 0.000 A 13 ILE H H 1 8.079 0.002 A 13 ILE HA H 1 3.729 0.003 A 13 ILE HB H 1 1.906 0.001 A 13 ILE HD1% H 1 0.775 0.001 A 13 ILE HG1x H 1 1.087 0.001 A 13 ILE HG2% H 1 0.852 0.004 A 13 ILE CA C 13 64.725 0.000 A 13 ILE CB C 13 38.194 0.000 A 13 ILE CD1 C 13 12.697 0.000 A 13 ILE CG1 C 13 28.351 0.000 A 13 ILE CG2 C 13 16.536 0.000 A 13 ILE N N 15 120.178 0.000 A 14 LEU H H 1 8.170 0.002 A 14 LEU HA H 1 4.084 0.002 A 14 LEU HBy H 1 1.816 0.001 A 14 LEU HBx H 1 1.779 0.003 A 14 LEU HDx% H 1 0.852 0.002 A 14 LEU HDy% H 1 0.828 0.001 A 14 LEU HG H 1 1.521 0.001 A 14 LEU CA C 13 57.553 0.000 A 14 LEU CB C 13 41.764 0.014 A 14 LEU CDy C 13 24.845 0.000 A 14 LEU CDx C 13 22.592 0.000 A 14 LEU CG C 13 27.958 0.000 A 14 LEU N N 15 119.887 0.000 A 15 ALA H H 1 7.889 0.001 A 15 ALA HA H 1 4.139 0.009 A 15 ALA HB% H 1 1.470 0.002 A 15 ALA CA C 13 54.259 0.000 A 15 ALA CB C 13 18.169 0.000 A 15 ALA N N 15 120.106 0.000 A 16 ALA H H 1 7.667 0.001 A 16 ALA HA H 1 4.187 0.002 A 16 ALA HB% H 1 1.451 0.004 A 16 ALA CA C 13 53.594 0.000 A 16 ALA CB C 13 18.531 0.000 A 16 ALA N N 15 119.488 0.000 A 17 ALA H H 1 7.889 0.001 A 17 ALA HA H 1 4.128 0.002 A 17 ALA HB% H 1 1.235 0.003 A 17 ALA CA C 13 53.347 0.000 A 17 ALA CB C 13 18.643 0.000 A 17 ALA N N 15 119.825 0.000 A 18 PHE H H 1 7.767 0.001 A 18 PHE HA H 1 4.564 0.004 A 18 PHE HBy H 1 3.217 0.002 A 18 PHE HBx H 1 2.999 0.005 A 18 PHE CA C 13 57.831 0.000 A 18 PHE CB C 13 39.199 0.024 A 18 PHE N N 15 116.592 0.000 A 19 LYS H H 1 7.707 0.001 A 19 LYS HA H 1 4.289 0.006 A 19 LYS HBx H 1 1.801 0.001 A 19 LYS HBy H 1 1.880 0.004 A 19 LYS HDx H 1 1.658 0.001 A 19 LYS HDy H 1 1.668 0.000 A 19 LYS HEx H 1 2.947 0.001 A 19 LYS HEy H 1 2.994 0.000 A 19 LYS HGx H 1 1.391 0.000 A 19 LYS HGy H 1 1.435 0.001 A 19 LYS CA C 13 58.048 0.000 A 19 LYS CB C 13 32.494 0.002 A 19 LYS CD C 13 29.201 0.002 A 19 LYS CE C 13 42.161 0.000 A 19 LYS CG C 13 24.706 0.005 A 19 LYS N N 15 119.027 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 19 LYS H A 19 LYS HA 1.0 . 2.93 2 2 A 8 ARG HA A 8 ARG HE 1.0 . 4.46 3 3 A 2 MET H A 2 MET HGy 1.0 . 3.70 4 4 A 2 MET H A 2 MET HGx 1.0 . 3.70 5 5 A 2 MET H A 2 MET HBy 1.0 . 4.01 6 6 A 2 MET H A 2 MET HE% 1.0 . 3.69 7 7 A 2 MET H A 2 MET HBx 1.0 . 4.01 8 8 A 3 ALA H A 3 ALA HB% 1.0 . 3.11 9 9 A 4 LYS H A 4 LYS HEy 1.0 . 5.28 10 10 A 4 LYS H A 4 LYS HEx 1.0 . 5.28 11 11 A 4 LYS H A 4 LYS HBy 1.0 . 3.99 12 12 A 4 LYS H A 4 LYS HBx 1.0 . 3.99 13 13 A 4 LYS H A 4 LYS HDy 1.0 . 4.19 14 14 A 4 LYS H A 4 LYS HDx 1.0 . 4.19 15 15 A 3 ALA HB% A 4 LYS H 1.0 . 4.29 16 16 A 16 ALA HB% A 17 ALA H 1.0 . 4.60 17 17 A 5 LEU H A 5 LEU HG 1.0 . 4.27 18 18 A 5 LEU H A 5 LEU HDx% 1.0 . 4.38 19 19 A 5 LEU H A 5 LEU HDy% 1.0 . 4.38 20 20 A 6 LEU H A 6 LEU HDx% 1.0 . 5.50 21 21 A 6 LEU H A 6 LEU HDy% 1.0 . 5.50 22 22 A 8 ARG H A 8 ARG HBy 1.0 . 4.11 23 23 A 8 ARG H A 8 ARG HBx 1.0 . 4.11 24 24 A 8 ARG H A 8 ARG HGy 1.0 . 4.34 25 25 A 8 ARG H A 8 ARG HGx 1.0 . 4.34 26 26 A 9 ILE H A 9 ILE HB 1.0 . 3.96 27 27 A 9 ILE H A 9 ILE HG1x 1.0 . 5.50 28 28 A 9 ILE H A 9 ILE HG2% 1.0 . 4.00 29 29 A 9 ILE H A 9 ILE HD1% 1.0 . 5.50 30 30 A 10 LYS H A 10 LYS HDy 1.0 . 5.50 31 31 A 10 LYS H A 10 LYS HDx 1.0 . 5.50 32 32 A 10 LYS H A 10 LYS HGy 1.0 . 5.43 33 33 A 10 LYS H A 10 LYS HGx 1.0 . 5.43 34 34 A 12 LYS H A 12 LYS HEx 1.0 . 5.50 35 35 A 12 LYS H A 12 LYS HEy 1.0 . 5.50 36 36 A 12 LYS H A 12 LYS HBy 1.0 . 3.82 37 37 A 12 LYS H A 12 LYS HBx 1.0 . 3.82 38 38 A 12 LYS H A 12 LYS HDy 1.0 . 4.75 39 39 A 12 LYS H A 12 LYS HGy 1.0 . 4.66 40 40 A 12 LYS H A 12 LYS HGx 1.0 . 4.66 41 41 A 13 ILE H A 13 ILE HB 1.0 . 4.05 42 42 A 13 ILE H A 13 ILE HG2% 1.0 . 4.55 43 43 A 13 ILE H A 13 ILE HD1% 1.0 . 5.50 44 44 A 14 LEU H A 14 LEU HBy 1.0 . 3.93 45 45 A 14 LEU H A 14 LEU HBx 1.0 . 3.93 46 46 A 14 LEU H A 14 LEU HG 1.0 . 4.47 47 47 A 13 ILE HG2% A 14 LEU H 1.0 . 5.50 48 48 A 15 ALA H A 15 ALA HB% 1.0 . 3.10 49 49 A 17 ALA H A 17 ALA HB% 1.0 . 2.83 50 50 A 15 ALA HB% A 16 ALA H 1.0 . 3.28 51 51 A 16 ALA HB% A 16 ALA H 1.0 . 3.38 52 52 A 18 PHE H A 18 PHE HBy 1.0 . 3.14 53 53 A 18 PHE H A 18 PHE HBx 1.0 . 3.14 54 54 A 11 LYS H A 11 LYS HBy 1.0 . 3.81 55 55 A 19 LYS H A 19 LYS HBy 1.0 . 4.18 56 56 A 11 LYS H A 11 LYS HBx 1.0 . 3.81 57 57 A 19 LYS H A 19 LYS HBx 1.0 . 4.18 58 58 A 8 ARG HE A 8 ARG HBy 1.0 . 4.04 59 59 A 8 ARG HE A 8 ARG HBx 1.0 . 4.04 60 60 A 8 ARG HE A 8 ARG HGy 1.0 . 3.97 61 61 A 8 ARG HE A 8 ARG HGx 1.0 . 3.97 62 62 A 12 LYS H A 12 LYS HDx 1.0 . 4.75 63 63 A 9 ILE H A 9 ILE HG1y 1.0 . 5.50 64 64 A 4 LYS H A 4 LYS HBx 1.0 . 3.41 65 64 A 4 LYS H A 4 LYS HBy 1.0 . 3.41 66 65 A 4 LYS H A 4 LYS HGy 1.0 . 4.17 67 65 A 4 LYS H A 4 LYS HGx 1.0 . 4.17 68 66 A 5 LEU H A 4 LYS HGy 1.0 . 4.12 69 66 A 5 LEU H A 4 LYS HGx 1.0 . 4.12 70 67 A 5 LEU H A 4 LYS HDx 1.0 . 5.34 71 67 A 5 LEU H A 4 LYS HDy 1.0 . 5.34 72 68 A 5 LEU H A 4 LYS HEx 1.0 . 5.34 73 68 A 5 LEU H A 4 LYS HEy 1.0 . 5.34 74 69 A 5 LEU H A 5 LEU HBy 1.0 . 2.95 75 69 A 5 LEU H A 5 LEU HBx 1.0 . 2.95 76 70 A 8 ARG H A 8 ARG HDy 1.0 . 4.39 77 70 A 8 ARG H A 8 ARG HDx 1.0 . 4.39 78 71 A 9 ILE H A 9 ILE HG1y 1.0 . 4.80 79 71 A 9 ILE H A 9 ILE HG1x 1.0 . 4.80 80 72 A 11 LYS H A 11 LYS HBy 1.0 . 3.23 81 72 A 11 LYS H A 11 LYS HBx 1.0 . 3.23 82 73 A 11 LYS H A 11 LYS HEx 1.0 . 5.30 83 73 A 11 LYS H A 11 LYS HEy 1.0 . 5.30 84 74 A 12 LYS H A 12 LYS HDx 1.0 . 4.14 85 74 A 12 LYS H A 12 LYS HDy 1.0 . 4.14 86 75 A 13 ILE H A 13 ILE HG1x 1.0 . 5.34 87 75 A 13 ILE H A 13 ILE HG1y 1.0 . 5.34 88 76 A 14 LEU H A 14 LEU HDx% 1.0 . 5.44 89 76 A 14 LEU H A 14 LEU HDy% 1.0 . 5.44 90 77 A 18 PHE H A 18 PHE HBx 1.0 . 2.75 91 77 A 18 PHE H A 18 PHE HBy 1.0 . 2.75 92 78 A 19 LYS H A 19 LYS HBy 1.0 . 3.59 93 78 A 19 LYS H A 19 LYS HBx 1.0 . 3.59 94 79 A 19 LYS H A 19 LYS HGx 1.0 . 3.42 95 79 A 19 LYS H A 19 LYS HGy 1.0 . 3.42 96 80 A 19 LYS H A 19 LYS HDx 1.0 . 5.34 97 80 A 19 LYS H A 19 LYS HDy 1.0 . 5.34 98 81 A 19 LYS H A 19 LYS HEx 1.0 . 5.34 99 81 A 19 LYS H A 19 LYS HEy 1.0 . 5.34 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 3 _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 . . 7211 . . . . 2 Hz . . 3267 . . . . 3 Hz . . 7211 . . . . stop_ save_