data_nef_c34027_5lm0 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 5LM0 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 5 CYS SG 1 25 CYS SG 1 9 CYS SG 1 21 CYS SG 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 ALA start . . 2 A 2 ASP middle . . 3 A 3 ASP middle . . 4 A 4 ARG middle . . 5 A 5 CYS middle -HG . 6 A 6 TYR middle . . 7 A 7 ARG middle . . 8 A 8 MET middle . . 9 A 9 CYS middle -HG . 10 A 10 GLN middle . . 11 A 11 ARG middle . . 12 A 12 TYR middle . . 13 A 13 HIS middle . . 14 A 14 ASP middle . . 15 A 15 ARG middle . . 16 A 16 ARG middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 LYS middle . . 20 A 20 GLN middle . . 21 A 21 CYS middle -HG . 22 A 22 LYS middle . . 23 A 23 GLU middle . . 24 A 24 GLY middle . false 25 A 25 CYS middle -HG . 26 A 26 ARG middle . . 27 A 27 TYR middle . . 28 A 28 GLY end . false 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 3 ASP H H 1 8.460 0.020 A 3 ASP HA H 1 4.683 0.020 A 3 ASP HBy H 1 2.842 0.020 A 3 ASP HBx H 1 2.722 0.020 A 3 ASP N N 15 122.927 0.400 A 4 ARG H H 1 8.409 0.020 A 4 ARG HA H 1 3.986 0.020 A 4 ARG HBy H 1 1.935 0.020 A 4 ARG HBx H 1 1.864 0.020 A 4 ARG HDx H 1 3.200 0.020 A 4 ARG HDy H 1 3.200 0.020 A 4 ARG HE H 1 7.469 0.020 A 4 ARG HGy H 1 1.716 0.020 A 4 ARG HGx H 1 1.638 0.020 A 4 ARG N N 15 120.908 0.400 A 4 ARG NE N 15 84.739 0.400 A 5 CYS H H 1 8.383 0.020 A 5 CYS HA H 1 4.373 0.020 A 5 CYS HBx H 1 3.105 0.020 A 5 CYS HBy H 1 3.105 0.020 A 5 CYS N N 15 118.903 0.400 A 6 TYR H H 1 7.941 0.020 A 6 TYR HA H 1 4.056 0.020 A 6 TYR HBx H 1 3.105 0.020 A 6 TYR HBy H 1 3.105 0.020 A 6 TYR HD1 H 1 7.101 0.020 A 6 TYR HD2 H 1 7.101 0.020 A 6 TYR HE1 H 1 6.837 0.020 A 6 TYR HE2 H 1 6.837 0.020 A 6 TYR CDx C 13 132.117 0.400 A 6 TYR CEx C 13 117.739 0.400 A 6 TYR N N 15 119.354 0.400 A 7 ARG H H 1 8.222 0.020 A 7 ARG HA H 1 4.012 0.020 A 7 ARG HBy H 1 1.946 0.020 A 7 ARG HBx H 1 1.880 0.020 A 7 ARG HDx H 1 3.179 0.020 A 7 ARG HDy H 1 3.244 0.020 A 7 ARG HE H 1 7.441 0.020 A 7 ARG HGx H 1 1.673 0.020 A 7 ARG HGy H 1 1.804 0.020 A 7 ARG N N 15 118.475 0.400 A 7 ARG NE N 15 84.759 0.400 A 8 MET H H 1 8.128 0.020 A 8 MET HA H 1 4.273 0.020 A 8 MET HBy H 1 2.313 0.020 A 8 MET HBx H 1 2.266 0.020 A 8 MET HGx H 1 2.627 0.020 A 8 MET HGy H 1 2.750 0.020 A 8 MET N N 15 118.925 0.400 A 9 CYS H H 1 7.873 0.020 A 9 CYS HA H 1 4.941 0.020 A 9 CYS HBy H 1 3.330 0.020 A 9 CYS HBx H 1 3.007 0.020 A 9 CYS N N 15 115.894 0.400 A 10 GLN H H 1 7.658 0.020 A 10 GLN HA H 1 4.056 0.020 A 10 GLN HBx H 1 2.099 0.020 A 10 GLN HBy H 1 2.099 0.020 A 10 GLN HE2y H 1 7.327 0.020 A 10 GLN HE2x H 1 6.894 0.020 A 10 GLN HGx H 1 2.416 0.020 A 10 GLN HGy H 1 2.416 0.020 A 10 GLN N N 15 118.095 0.400 A 10 GLN NE2 N 15 111.561 0.400 A 11 ARG H H 1 7.403 0.020 A 11 ARG HA H 1 4.078 0.020 A 11 ARG HBy H 1 1.673 0.020 A 11 ARG HBx H 1 1.618 0.020 A 11 ARG HDx H 1 3.006 0.020 A 11 ARG HDy H 1 3.006 0.020 A 11 ARG HE H 1 6.933 0.020 A 11 ARG HGx H 1 0.875 0.020 A 11 ARG HGy H 1 1.356 0.020 A 11 ARG N N 15 115.466 0.400 A 11 ARG NE N 15 84.715 0.400 A 12 TYR H H 1 7.276 0.020 A 12 TYR HA H 1 4.471 0.020 A 12 TYR HBy H 1 3.033 0.020 A 12 TYR HBx H 1 2.766 0.020 A 12 TYR HD1 H 1 7.273 0.020 A 12 TYR HD2 H 1 7.273 0.020 A 12 TYR HE1 H 1 6.898 0.020 A 12 TYR HE2 H 1 6.898 0.020 A 12 TYR CDx C 13 132.425 0.400 A 12 TYR CEx C 13 117.566 0.400 A 12 TYR N N 15 119.284 0.400 A 13 HIS H H 1 8.536 0.020 A 13 HIS HA H 1 4.626 0.020 A 13 HIS HBy H 1 3.311 0.020 A 13 HIS HBx H 1 3.197 0.020 A 13 HIS HD2 H 1 7.249 0.020 A 13 HIS HE1 H 1 8.392 0.020 A 13 HIS CB C 13 29.114 0.400 A 13 HIS CD2 C 13 119.183 0.400 A 13 HIS CE1 C 13 136.347 0.400 A 13 HIS N N 15 120.352 0.400 A 14 ASP H H 1 8.358 0.020 A 14 ASP HA H 1 4.681 0.020 A 14 ASP HBy H 1 2.806 0.020 A 14 ASP HBx H 1 2.747 0.020 A 14 ASP N N 15 121.060 0.400 A 15 ARG H H 1 8.853 0.020 A 15 ARG HA H 1 3.946 0.020 A 15 ARG HBx H 1 1.924 0.020 A 15 ARG HBy H 1 1.924 0.020 A 15 ARG HDx H 1 3.236 0.020 A 15 ARG HDy H 1 3.236 0.020 A 15 ARG HE H 1 7.427 0.020 A 15 ARG HGy H 1 1.793 0.020 A 15 ARG HGx H 1 1.690 0.020 A 15 ARG N N 15 125.597 0.400 A 15 ARG NE N 15 84.657 0.400 A 16 ARG H H 1 8.396 0.020 A 16 ARG HA H 1 4.078 0.020 A 16 ARG HBx H 1 1.935 0.020 A 16 ARG HBy H 1 1.935 0.020 A 16 ARG HDx H 1 3.217 0.020 A 16 ARG HDy H 1 3.217 0.020 A 16 ARG HE H 1 7.416 0.020 A 16 ARG HGx H 1 1.574 0.020 A 16 ARG HGy H 1 1.673 0.020 A 16 ARG N N 15 120.656 0.400 A 16 ARG NE N 15 84.490 0.400 A 17 GLU H H 1 8.153 0.020 A 17 GLU HA H 1 3.878 0.020 A 17 GLU HBx H 1 1.735 0.020 A 17 GLU HBy H 1 2.037 0.020 A 17 GLU HGx H 1 2.300 0.020 A 17 GLU HGy H 1 2.300 0.020 A 17 GLU N N 15 120.503 0.400 A 18 LYS H H 1 8.497 0.020 A 18 LYS HA H 1 3.883 0.020 A 18 LYS HBy H 1 1.960 0.020 A 18 LYS HBx H 1 1.812 0.020 A 18 LYS HDx H 1 1.702 0.020 A 18 LYS HDy H 1 1.702 0.020 A 18 LYS HEx H 1 2.975 0.020 A 18 LYS HEy H 1 2.975 0.020 A 18 LYS HGy H 1 1.559 0.020 A 18 LYS HGx H 1 1.460 0.020 A 18 LYS N N 15 120.720 0.400 A 19 LYS H H 1 7.899 0.020 A 19 LYS HA H 1 3.996 0.020 A 19 LYS HBy H 1 1.944 0.020 A 19 LYS HDx H 1 1.662 0.020 A 19 LYS HDy H 1 1.706 0.020 A 19 LYS HEx H 1 2.995 0.020 A 19 LYS HEy H 1 2.995 0.020 A 19 LYS HGx H 1 1.386 0.020 A 19 LYS HGy H 1 1.507 0.020 A 19 LYS N N 15 120.025 0.400 A 20 GLN H H 1 8.001 0.020 A 20 GLN HA H 1 4.067 0.020 A 20 GLN HBy H 1 2.050 0.020 A 20 GLN HBx H 1 2.019 0.020 A 20 GLN HE2y H 1 7.403 0.020 A 20 GLN HE2x H 1 6.805 0.020 A 20 GLN HGy H 1 2.429 0.020 A 20 GLN HGx H 1 2.341 0.020 A 20 GLN N N 15 118.181 0.400 A 20 GLN NE2 N 15 111.328 0.400 A 21 CYS H H 1 7.976 0.020 A 21 CYS HA H 1 4.215 0.020 A 21 CYS HBy H 1 3.389 0.020 A 21 CYS HBx H 1 2.864 0.020 A 21 CYS N N 15 120.093 0.400 A 22 LYS H H 1 8.383 0.020 A 22 LYS HA H 1 3.903 0.020 A 22 LYS HBx H 1 1.935 0.020 A 22 LYS HBy H 1 1.935 0.020 A 22 LYS HEx H 1 2.777 0.020 A 22 LYS HEy H 1 2.871 0.020 A 22 LYS HGx H 1 1.268 0.020 A 22 LYS HGy H 1 1.707 0.020 A 22 LYS CG C 13 25.659 0.400 A 22 LYS N N 15 121.661 0.400 A 23 GLU H H 1 8.217 0.020 A 23 GLU HA H 1 4.075 0.020 A 23 GLU HBx H 1 2.123 0.020 A 23 GLU HBy H 1 2.123 0.020 A 23 GLU HGx H 1 2.347 0.020 A 23 GLU HGy H 1 2.493 0.020 A 23 GLU N N 15 119.419 0.400 A 24 GLY H H 1 7.899 0.020 A 24 GLY HAy H 1 4.099 0.020 A 24 GLY HAx H 1 3.903 0.020 A 24 GLY N N 15 106.163 0.400 A 25 CYS H H 1 7.673 0.020 A 25 CYS HA H 1 4.570 0.020 A 25 CYS HBx H 1 3.017 0.020 A 25 CYS HBy H 1 3.017 0.020 A 25 CYS N N 15 118.720 0.400 A 26 ARG H H 1 7.925 0.020 A 26 ARG HA H 1 4.232 0.020 A 26 ARG HBx H 1 1.713 0.020 A 26 ARG HDx H 1 3.138 0.020 A 26 ARG HDy H 1 3.138 0.020 A 26 ARG HE H 1 7.174 0.020 A 26 ARG HGy H 1 1.493 0.020 A 26 ARG HGx H 1 1.425 0.020 A 26 ARG N N 15 121.150 0.400 A 26 ARG NE N 15 84.855 0.400 A 27 TYR H H 1 7.969 0.020 A 27 TYR HA H 1 4.701 0.020 A 27 TYR HBy H 1 3.236 0.020 A 27 TYR HBx H 1 2.924 0.020 A 27 TYR HD1 H 1 7.194 0.020 A 27 TYR HD2 H 1 7.194 0.020 A 27 TYR HE1 H 1 6.861 0.020 A 27 TYR HE2 H 1 6.861 0.020 A 27 TYR CDx C 13 132.630 0.400 A 27 TYR CEx C 13 117.525 0.400 A 27 TYR N N 15 119.575 0.400 A 28 GLY H H 1 7.823 0.020 A 28 GLY HAx H 1 3.792 0.020 A 28 GLY HAy H 1 3.792 0.020 A 28 GLY N N 15 116.007 0.400 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 28 GLY H A 28 GLY HAx 1.0 . 3.92 2 1 A 28 GLY H A 28 GLY HAy 1.0 . 3.92 3 2 A 27 TYR H A 27 TYR HBx 1.0 . 4.43 4 3 A 27 TYR H A 27 TYR HBy 1.0 . 3.77 5 4 A 26 ARG H A 26 ARG HA 1.0 . 3.61 6 5 A 25 CYS H A 25 CYS HA 1.0 . 3.80 7 6 A 25 CYS H A 25 CYS HBx 1.0 . 3.34 8 6 A 25 CYS H A 25 CYS HBy 1.0 . 3.34 9 7 A 24 GLY H A 24 GLY HAy 1.0 . 3.31 10 8 A 23 GLU H A 23 GLU HA 1.0 . 3.53 11 9 A 24 GLY H A 24 GLY HAx 1.0 . 2.96 12 10 A 22 LYS H A 22 LYS HA 1.0 . 3.11 13 11 A 21 CYS H A 21 CYS HA 1.0 . 3.74 14 12 A 21 CYS H A 21 CYS HBy 1.0 . 3.23 15 13 A 21 CYS H A 21 CYS HBx 1.0 . 3.20 16 14 A 19 LYS H A 20 GLN H 1.0 . 3.33 17 15 A 14 ASP HA A 17 GLU H 1.0 . 5.50 18 16 A 17 GLU H A 17 GLU HA 1.0 . 3.50 19 17 A 19 LYS H A 19 LYS HA 1.0 . 3.45 20 18 A 17 GLU H A 17 GLU HGx 1.0 . 3.52 21 18 A 17 GLU H A 17 GLU HGy 1.0 . 3.52 22 19 A 17 GLU H A 17 GLU HBy 1.0 . 4.00 23 20 A 17 GLU H A 17 GLU HBx 1.0 . 3.22 24 21 A 16 ARG H A 16 ARG HA 1.0 . 3.59 25 22 A 14 ASP H A 14 ASP HBx 1.0 . 3.24 26 23 A 14 ASP H A 14 ASP HBy 1.0 . 3.21 27 24 A 15 ARG H A 15 ARG HA 1.0 . 2.73 28 25 A 4 ARG HA A 5 CYS H 1.0 . 3.94 29 26 A 5 CYS H A 6 TYR H 1.0 . 3.20 30 27 A 5 CYS H A 5 CYS HA 1.0 . 3.48 31 28 A 28 GLY H A 27 TYR HA 1.0 . 4.43 32 29 A 28 GLY H A 27 TYR HBy 1.0 . 5.24 33 30 A 28 GLY H A 27 TYR HBx 1.0 . 5.39 34 31 A 20 GLN H A 19 LYS HGy 1.0 . 5.50 35 32 A 20 GLN H A 19 LYS HA 1.0 . 4.25 36 33 A 20 GLN H A 19 LYS HBy 1.0 . 3.28 37 34 A 20 GLN H A 19 LYS HDy 1.0 . 5.50 38 35 A 20 GLN H A 17 GLU HA 1.0 . 4.23 39 36 A 20 GLN H A 19 LYS HGx 1.0 . 5.33 40 37 A 12 TYR H A 12 TYR HBx 1.0 . 3.74 41 38 A 12 TYR H A 9 CYS HA 1.0 . 4.80 42 39 A 12 TYR H A 11 ARG HA 1.0 . 3.72 43 40 A 12 TYR H A 12 TYR HA 1.0 . 3.58 44 41 A 12 TYR H A 11 ARG H 1.0 . 3.27 45 42 A 12 TYR H A 12 TYR HBy 1.0 . 3.10 46 43 A 16 ARG H A 15 ARG HA 1.0 . 4.26 47 44 A 14 ASP HA A 16 ARG H 1.0 . 4.67 48 45 A 23 GLU H A 19 LYS HA 1.0 . 5.17 49 46 A 23 GLU H A 22 LYS HA 1.0 . 4.18 50 47 A 23 GLU H A 21 CYS HA 1.0 . 5.50 51 48 A 19 LYS H A 16 ARG HA 1.0 . 4.03 52 49 A 19 LYS H A 18 LYS HA 1.0 . 3.98 53 50 A 19 LYS H A 18 LYS H 1.0 . 3.43 54 51 A 7 ARG HA A 8 MET H 1.0 . 4.29 55 52 A 8 MET H A 8 MET HA 1.0 . 3.76 56 53 A 5 CYS HA A 8 MET H 1.0 . 4.59 57 54 A 17 GLU H A 16 ARG HA 1.0 . 4.12 58 55 A 17 GLU H A 12 TYR HBx 1.0 . 5.50 59 56 A 17 GLU H A 16 ARG H 1.0 . 3.25 60 57 A 17 GLU H A 14 ASP HBy 1.0 . 3.95 61 58 A 17 GLU H A 18 LYS H 1.0 . 3.29 62 59 A 17 GLU H A 14 ASP HBx 1.0 . 4.75 63 60 A 14 ASP H A 12 TYR HBx 1.0 . 4.04 64 61 A 14 ASP H A 12 TYR HA 1.0 . 4.49 65 62 A 14 ASP HA A 14 ASP H 1.0 . 3.46 66 63 A 14 ASP H A 13 HIS HA 1.0 . 4.06 67 64 A 21 CYS H A 20 GLN HA 1.0 . 4.18 68 65 A 21 CYS H A 19 LYS HA 1.0 . 5.50 69 66 A 21 CYS H A 18 LYS HA 1.0 . 4.00 70 67 A 16 ARG HA A 18 LYS H 1.0 . 5.46 71 68 A 12 TYR HBx A 18 LYS H 1.0 . 4.59 72 69 A 17 GLU HBy A 18 LYS H 1.0 . 4.34 73 70 A 17 GLU HBx A 18 LYS H 1.0 . 3.82 74 71 A 15 ARG HA A 18 LYS H 1.0 . 4.16 75 72 A 12 TYR HBy A 18 LYS H 1.0 . 4.72 76 73 A 17 GLU HA A 18 LYS H 1.0 . 3.41 77 74 A 12 TYR HA A 13 HIS H 1.0 . 2.40 78 75 A 16 ARG H A 15 ARG H 1.0 . 2.96 79 76 A 14 ASP H A 15 ARG H 1.0 . 4.58 80 77 A 14 ASP HA A 15 ARG H 1.0 . 2.40 81 78 A 6 TYR H A 6 TYR HA 1.0 . 3.67 82 79 A 6 TYR H A 5 CYS HA 1.0 . 4.34 83 80 A 6 TYR H A 3 ASP HA 1.0 . 4.78 84 81 A 6 TYR H A 7 ARG H 1.0 . 3.52 85 82 A 26 ARG H A 24 GLY HAy 1.0 . 4.56 86 83 A 26 ARG H A 25 CYS HBx 1.0 . 4.15 87 83 A 26 ARG H A 25 CYS HBy 1.0 . 4.15 88 84 A 26 ARG H A 25 CYS HA 1.0 . 3.68 89 85 A 26 ARG H A 25 CYS H 1.0 . 3.75 90 86 A 26 ARG H A 24 GLY HAx 1.0 . 5.40 91 87 A 9 CYS HA A 11 ARG H 1.0 . 4.62 92 88 A 11 ARG HA A 11 ARG H 1.0 . 3.47 93 89 A 11 ARG H A 8 MET HA 1.0 . 5.04 94 90 A 11 ARG H A 10 GLN H 1.0 . 3.50 95 91 A 25 CYS H A 24 GLY HAy 1.0 . 4.17 96 92 A 25 CYS H A 21 CYS HA 1.0 . 5.46 97 93 A 25 CYS H A 24 GLY H 1.0 . 3.29 98 94 A 25 CYS H A 24 GLY HAx 1.0 . 3.69 99 95 A 3 ASP H A 6 TYR HBx 1.0 . 5.03 100 95 A 3 ASP H A 6 TYR HBy 1.0 . 5.03 101 96 A 24 GLY H A 23 GLU H 1.0 . 3.26 102 97 A 24 GLY H A 21 CYS HA 1.0 . 4.63 103 98 A 28 GLY H A 27 TYR H 1.0 . 4.20 104 99 A 27 TYR H A 26 ARG HA 1.0 . 3.64 105 100 A 9 CYS HA A 10 GLN H 1.0 . 4.22 106 101 A 10 GLN H A 10 GLN HA 1.0 . 3.48 107 102 A 8 MET HA A 10 GLN H 1.0 . 4.89 108 103 A 10 GLN H A 9 CYS HBy 1.0 . 4.45 109 104 A 10 GLN H A 9 CYS HBx 1.0 . 4.98 110 105 A 10 GLN H A 9 CYS H 1.0 . 3.49 111 106 A 4 ARG HA A 4 ARG H 1.0 . 3.58 112 107 A 3 ASP HA A 4 ARG H 1.0 . 3.76 113 108 A 22 LYS H A 20 GLN HA 1.0 . 4.53 114 109 A 23 GLU H A 22 LYS H 1.0 . 3.03 115 110 A 22 LYS H A 19 LYS HA 1.0 . 3.59 116 111 A 22 LYS H A 21 CYS H 1.0 . 3.05 117 112 A 22 LYS H A 9 CYS HBy 1.0 . 4.79 118 113 A 22 LYS H A 21 CYS HBx 1.0 . 3.02 119 114 A 22 LYS H A 21 CYS HA 1.0 . 3.81 120 115 A 7 ARG HA A 7 ARG H 1.0 . 3.57 121 116 A 8 MET H A 7 ARG H 1.0 . 3.44 122 117 A 6 TYR HA A 7 ARG H 1.0 . 4.43 123 118 A 5 CYS HA A 7 ARG H 1.0 . 5.50 124 119 A 3 ASP HA A 7 ARG H 1.0 . 5.50 125 120 A 9 CYS HA A 9 CYS H 1.0 . 3.74 126 121 A 8 MET H A 9 CYS H 1.0 . 3.32 127 122 A 8 MET HA A 9 CYS H 1.0 . 4.19 128 123 A 9 CYS HBy A 9 CYS H 1.0 . 3.41 129 124 A 6 TYR HA A 9 CYS H 1.0 . 4.39 130 125 A 5 CYS HA A 9 CYS H 1.0 . 5.26 131 126 A 9 CYS HBx A 9 CYS H 1.0 . 4.10 132 127 A 19 LYS HA A 22 LYS HGx 1.0 . 4.18 133 128 A 12 TYR HBy A 18 LYS HGy 1.0 . 3.66 134 128 A 12 TYR HBy A 18 LYS HGx 1.0 . 3.66 135 129 A 21 CYS HBx A 18 LYS HA 1.0 . 3.29 136 130 A 18 LYS HA A 9 CYS HBx 1.0 . 3.44 137 131 A 21 CYS HBx A 12 TYR HE% 1.0 . 4.42 138 132 A 12 TYR HE% A 11 ARG HGx 1.0 . 4.81 139 133 A 12 TYR HE% A 11 ARG HDx 1.0 . 4.00 140 133 A 12 TYR HE% A 11 ARG HDy 1.0 . 4.00 141 134 A 9 CYS HA A 12 TYR HE% 1.0 . 3.94 142 135 A 21 CYS HBy A 12 TYR HE% 1.0 . 3.69 143 136 A 12 TYR HE% A 11 ARG HGy 1.0 . 5.23 144 137 A 26 ARG HGy A 23 GLU HGx 1.0 . 4.03 145 137 A 23 GLU HGy A 26 ARG HGy 1.0 . 4.03 146 138 A 27 TYR HA A 27 TYR HD% 1.0 . 3.73 147 139 A 27 TYR HBy A 27 TYR HD% 1.0 . 3.32 148 140 A 27 TYR HBx A 27 TYR HD% 1.0 . 3.46 149 141 A 17 GLU HBx A 14 ASP HBy 1.0 . 2.93 150 142 A 17 GLU HBx A 14 ASP HBx 1.0 . 3.01 151 143 A 9 CYS HBx A 18 LYS HGy 1.0 . 3.67 152 143 A 9 CYS HBx A 18 LYS HGx 1.0 . 3.67 153 144 A 22 LYS HA A 6 TYR HBx 1.0 . 3.60 154 144 A 22 LYS HA A 6 TYR HBy 1.0 . 3.60 155 145 A 9 CYS HBx A 19 LYS HDy 1.0 . 3.38 156 145 A 9 CYS HBx A 19 LYS HDx 1.0 . 3.38 157 146 A 9 CYS HBx A 22 LYS HGy 1.0 . 0.00 158 146 A 9 CYS HBx A 22 LYS HGx 1.0 . 0.00 159 147 A 9 CYS HBx A 18 LYS HDx 1.0 . 0.00 160 147 A 9 CYS HBx A 18 LYS HDy 1.0 . 0.00 161 148 A 17 GLU HBx A 12 TYR HBx 1.0 . 3.36 162 149 A 5 CYS HA A 8 MET HBy 1.0 . 3.68 163 149 A 5 CYS HA A 8 MET HBx 1.0 . 3.68 164 150 A 14 ASP HBy A 17 GLU HGx 1.0 . 3.15 165 150 A 17 GLU HGy A 14 ASP HBy 1.0 . 3.15 166 151 A 19 LYS HEx A 23 GLU HBx 1.0 . 3.89 167 151 A 19 LYS HEy A 23 GLU HBx 1.0 . 3.89 168 151 A 23 GLU HBy A 19 LYS HEx 1.0 . 3.89 169 151 A 19 LYS HEy A 23 GLU HBy 1.0 . 3.89 170 152 A 22 LYS HA A 25 CYS HBx 1.0 . 3.17 171 152 A 25 CYS HBy A 22 LYS HA 1.0 . 3.17 172 153 A 24 GLY HAx A 25 CYS HBx 1.0 . 0.00 173 153 A 25 CYS HBy A 24 GLY HAx 1.0 . 0.00 174 154 A 22 LYS HA A 9 CYS HBy 1.0 . 0.00 175 155 A 24 GLY HAx A 9 CYS HBy 1.0 . 0.00 176 156 A 12 TYR HBy A 18 LYS HGy 1.0 . 3.95 177 156 A 12 TYR HBy A 18 LYS HGx 1.0 . 3.95 178 157 A 17 GLU HBy A 12 TYR HD% 1.0 . 3.60 179 158 A 21 CYS HBx A 12 TYR HD% 1.0 . 3.72 180 159 A 18 LYS HA A 12 TYR HD% 1.0 . 3.80 181 160 A 17 GLU HBx A 12 TYR HD% 1.0 . 3.74 182 161 A 9 CYS HBx A 12 TYR HD% 1.0 . 3.95 183 162 A 12 TYR HBx A 12 TYR HD% 1.0 . 3.10 184 163 A 21 CYS HBy A 12 TYR HD% 1.0 . 3.72 185 164 A 9 CYS HBy A 6 TYR HE% 1.0 . 3.77 186 165 A 6 TYR HE% A 25 CYS HBx 1.0 . 0.00 187 165 A 25 CYS HBy A 6 TYR HE% 1.0 . 0.00 188 166 A 6 TYR HE% A 22 LYS HBx 1.0 . 3.76 189 166 A 6 TYR HE% A 22 LYS HBy 1.0 . 3.76 190 167 A 6 TYR HE% A 22 LYS HGy 1.0 . 4.61 191 167 A 22 LYS HGx A 6 TYR HE% 1.0 . 4.61 192 168 A 22 LYS HA A 6 TYR HE% 1.0 . 4.73 193 169 A 9 CYS HBy A 6 TYR HD% 1.0 . 3.84 194 170 A 6 TYR HD% A 25 CYS HBx 1.0 . 0.00 195 170 A 25 CYS HBy A 6 TYR HD% 1.0 . 0.00 196 171 A 6 TYR HD% A 22 LYS HEy 1.0 . 4.20 197 171 A 6 TYR HD% A 22 LYS HEx 1.0 . 4.20 198 172 A 6 TYR HD% A 22 LYS HBx 1.0 . 4.20 199 172 A 22 LYS HBy A 6 TYR HD% 1.0 . 4.20 200 173 A 6 TYR HD% A 22 LYS HGy 1.0 . 4.08 201 173 A 22 LYS HGx A 6 TYR HD% 1.0 . 4.08 202 174 A 22 LYS HA A 6 TYR HD% 1.0 . 4.53 203 175 A 6 TYR HD% A 7 ARG HGx 1.0 . 3.96 204 175 A 6 TYR HD% A 7 ARG HGy 1.0 . 3.96 205 176 A 6 TYR HD% A 6 TYR HBx 1.0 . 2.90 206 176 A 6 TYR HBy A 6 TYR HD% 1.0 . 2.90 207 177 A 21 CYS HBy A 6 TYR HD% 1.0 . 4.10 208 178 A 6 TYR HD% A 22 LYS HEy 1.0 . 0.00 209 179 A 6 TYR HA A 6 TYR HD% 1.0 . 3.39 210 180 A 5 CYS SG A 25 CYS SG 1.0 . 2.10 211 181 A 5 CYS SG A 25 CYS CB 1.0 . 3.10 212 182 A 25 CYS SG A 5 CYS CB 1.0 . 3.10 213 183 A 9 CYS SG A 21 CYS SG 1.0 . 2.10 214 184 A 9 CYS SG A 21 CYS CB 1.0 . 3.10 215 185 A 21 CYS SG A 9 CYS CB 1.0 . 3.10 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 5 CYS SG A 25 CYS SG 1.0 . 2.0 2 2 A 5 CYS SG A 25 CYS CB 1.0 . 3.0 3 3 A 25 CYS SG A 5 CYS CB 1.0 . 3.0 4 4 A 9 CYS SG A 21 CYS SG 1.0 . 2.0 5 5 A 9 CYS SG A 21 CYS CB 1.0 . 3.0 6 6 A 21 CYS SG A 9 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type undefined _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 ALA N A 1 ALA CA A 1 ALA C A 2 ASP N 1.0 -85.0 195.0 PSI 2 2 A 1 ALA C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -315.0 -45.0 PHI 3 3 A 1 ALA C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -185.0 65.0 PHI 4 4 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 ASP N 1.0 -85.0 195.0 PSI 5 5 A 2 ASP C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -175.0 -65.0 PHI 6 6 A 2 ASP C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -75.0 205.0 PHI 7 7 A 3 ASP N A 3 ASP CA A 3 ASP C A 4 ARG N 1.0 -335.0 -5.0 PSI 8 8 A 3 ASP N A 3 ASP CA A 3 ASP C A 4 ARG N 1.0 -85.0 195.0 PSI 9 9 A 3 ASP C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -185.0 -55.0 PHI 10 10 A 3 ASP C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -65.0 185.0 PHI 11 11 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 -325.0 -15.0 PSI 12 12 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 -85.0 195.0 PSI 13 13 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -185.0 -55.0 PHI 14 14 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -65.0 195.0 PHI 15 15 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 TYR N 1.0 -335.0 -15.0 PSI 16 16 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 TYR N 1.0 -85.0 195.0 PSI 17 17 A 5 CYS C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -185.0 -55.0 PHI 18 18 A 5 CYS C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -65.0 185.0 PHI 19 19 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 ARG N 1.0 -325.0 -15.0 PSI 20 20 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 ARG N 1.0 -85.0 195.0 PSI 21 21 A 6 TYR C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -185.0 -55.0 PHI 22 22 A 6 TYR C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -65.0 185.0 PHI 23 23 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 MET N 1.0 -325.0 -15.0 PSI 24 24 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 MET N 1.0 -85.0 195.0 PSI 25 25 A 7 ARG C A 8 MET N A 8 MET CA A 8 MET C 1.0 -175.0 -65.0 PHI 26 26 A 7 ARG C A 8 MET N A 8 MET CA A 8 MET C 1.0 -75.0 195.0 PHI 27 27 A 8 MET N A 8 MET CA A 8 MET C A 9 CYS N 1.0 -335.0 -5.0 PSI 28 28 A 8 MET N A 8 MET CA A 8 MET C A 9 CYS N 1.0 -85.0 195.0 PSI 29 29 A 8 MET C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -175.0 -65.0 PHI 30 30 A 8 MET C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -75.0 195.0 PHI 31 31 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLN N 1.0 -335.0 -5.0 PSI 32 32 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLN N 1.0 -85.0 195.0 PSI 33 33 A 9 CYS C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -185.0 -55.0 PHI 34 34 A 9 CYS C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -75.0 195.0 PHI 35 35 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ARG N 1.0 -335.0 -15.0 PSI 36 36 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ARG N 1.0 -75.0 195.0 PSI 37 37 A 10 GLN C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -175.0 -65.0 PHI 38 38 A 10 GLN C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -75.0 195.0 PHI 39 39 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 TYR N 1.0 -335.0 -5.0 PSI 40 40 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 TYR N 1.0 -85.0 195.0 PSI 41 41 A 11 ARG C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -155.0 -85.0 PHI 42 42 A 11 ARG C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -95.0 215.0 PHI 43 43 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 HIS N 1.0 -85.0 195.0 PSI 44 44 A 12 TYR C A 13 HIS N A 13 HIS CA A 13 HIS C 1.0 -95.0 -75.0 PHI 45 45 A 13 HIS N A 13 HIS CA A 13 HIS C A 14 ASP N 1.0 -345.0 5.0 PSI 46 46 A 13 HIS N A 13 HIS CA A 13 HIS C A 14 ASP N 1.0 -85.0 195.0 PSI 47 47 A 13 HIS C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 45.0 285.0 PHI 48 48 A 13 HIS C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -165.0 55.0 PHI 49 49 A 13 HIS C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -85.0 205.0 PHI 50 50 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ARG N 1.0 -335.0 5.0 PSI 51 51 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ARG N 1.0 -85.0 195.0 PSI 52 52 A 14 ASP C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -185.0 -45.0 PHI 53 53 A 14 ASP C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -55.0 185.0 PHI 54 54 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ARG N 1.0 -325.0 -25.0 PSI 55 55 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ARG N 1.0 -85.0 195.0 PSI 56 56 A 15 ARG C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -175.0 -65.0 PHI 57 57 A 15 ARG C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -75.0 195.0 PHI 58 58 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLU N 1.0 -335.0 -5.0 PSI 59 59 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 GLU N 1.0 -85.0 195.0 PSI 60 60 A 16 ARG C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -185.0 -55.0 PHI 61 61 A 16 ARG C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -75.0 195.0 PHI 62 62 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LYS N 1.0 -335.0 -15.0 PSI 63 63 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 LYS N 1.0 -75.0 195.0 PSI 64 64 A 17 GLU C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -185.0 -55.0 PHI 65 65 A 17 GLU C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -65.0 185.0 PHI 66 66 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LYS N 1.0 -325.0 -15.0 PSI 67 67 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 LYS N 1.0 -85.0 195.0 PSI 68 68 A 18 LYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -185.0 -55.0 PHI 69 69 A 18 LYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -65.0 185.0 PHI 70 70 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 GLN N 1.0 -325.0 -15.0 PSI 71 71 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 GLN N 1.0 -85.0 195.0 PSI 72 72 A 19 LYS C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -185.0 -55.0 PHI 73 73 A 19 LYS C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -75.0 195.0 PHI 74 74 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 CYS N 1.0 -335.0 -15.0 PSI 75 75 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 CYS N 1.0 -85.0 195.0 PSI 76 76 A 20 GLN C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -185.0 -55.0 PHI 77 77 A 20 GLN C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -65.0 185.0 PHI 78 78 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 -325.0 -15.0 PSI 79 79 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 -85.0 195.0 PSI 80 80 A 21 CYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -185.0 -55.0 PHI 81 81 A 21 CYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -65.0 185.0 PHI 82 82 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 GLU N 1.0 -325.0 -15.0 PSI 83 83 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 GLU N 1.0 -85.0 195.0 PSI 84 84 A 22 LYS C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -185.0 -55.0 PHI 85 85 A 22 LYS C A 23 GLU N A 23 GLU CA A 23 GLU C 1.0 -65.0 195.0 PHI 86 86 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 GLY N 1.0 -335.0 -15.0 PSI 87 87 A 23 GLU N A 23 GLU CA A 23 GLU C A 24 GLY N 1.0 -85.0 195.0 PSI 88 88 A 24 GLY C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -175.0 -65.0 PHI 89 89 A 24 GLY C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -75.0 195.0 PHI 90 90 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 ARG N 1.0 -335.0 -5.0 PSI 91 91 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 ARG N 1.0 -85.0 195.0 PSI 92 92 A 25 CYS C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -175.0 -65.0 PHI 93 93 A 25 CYS C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -75.0 205.0 PHI 94 94 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 TYR N 1.0 -335.0 -5.0 PSI 95 95 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 TYR N 1.0 -85.0 195.0 PSI 96 96 A 26 ARG C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 55.0 275.0 PHI 97 97 A 26 ARG C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -155.0 65.0 PHI 98 98 A 26 ARG C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -95.0 215.0 PHI 99 99 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 GLY N 1.0 -85.0 195.0 PSI 100 100 A 27 TYR C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -315.0 -45.0 PHI 101 101 A 3 ASP N A 3 ASP CA A 3 ASP CB A 3 ASP CG 1.0 -210.0 -150.0 CHI1 102 102 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 -90.0 -30.0 CHI1 103 103 A 12 TYR N A 12 TYR CA A 12 TYR CB A 12 TYR CG 1.0 -90.0 -30.0 CHI1 104 104 A 13 HIS N A 13 HIS CA A 13 HIS CB A 13 HIS CG 1.0 -90.0 -30.0 CHI1 105 105 A 17 GLU N A 17 GLU CA A 17 GLU CB A 17 GLU CG 1.0 -90.0 -30.0 CHI1 106 106 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -210.0 -150.0 CHI1 107 107 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 -90.0 -30.0 CHI1 stop_ save_