data_nef_c19292_2m9f 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 19296 PDB 19295 PDB 19291 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 13 ASN ND2 2 1 NAG C1 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 LYS start . . 2 A 2 LEU middle . . 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 GLY middle . false 6 A 6 TRP middle . . 7 A 7 GLU middle . . 8 A 8 LYS middle . . 9 A 9 ARG middle . . 10 A 10 MET middle . . 11 A 11 PHE middle . . 12 A 12 ALA middle . . 13 A 13 ASN middle . . 14 A 14 GLY middle . false 15 A 15 THR middle . . 16 A 16 VAL middle . . 17 A 17 TYR middle . . 18 A 18 TYR middle . . 19 A 19 PHE middle . . 20 A 20 ASN middle . . 21 A 21 HIS middle . . 22 A 22 ILE middle . . 23 A 23 THR middle . . 24 A 24 ASN middle . . 25 A 25 ALA middle . . 26 A 26 SER middle . . 27 A 27 GLN middle . . 28 A 28 PHE middle . . 29 A 29 GLU middle . . 30 A 30 ARG middle . . 31 A 31 PRO middle . false 32 A 32 SER middle . . 33 A 33 GLY end . false 34 B 1 NAG . -O1 . 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 LYS HA H 1 4.056 0.005 A 1 LYS HBx H 1 1.912 0.005 A 1 LYS HBy H 1 1.912 0.005 A 1 LYS HDx H 1 1.728 0.005 A 1 LYS HDy H 1 1.728 0.005 A 1 LYS HEx H 1 3.040 0.005 A 1 LYS HEy H 1 3.040 0.005 A 1 LYS HGx H 1 1.468 0.005 A 1 LYS HGy H 1 1.514 0.005 A 2 LEU HA H 1 4.613 0.005 A 2 LEU HBx H 1 1.425 0.005 A 2 LEU HBy H 1 1.815 0.005 A 2 LEU HDx% H 1 0.807 0.005 A 2 LEU HDy% H 1 1.075 0.005 A 2 LEU HG H 1 1.903 0.005 A 3 PRO HA H 1 4.844 0.005 A 3 PRO HBx H 1 1.634 0.005 A 3 PRO HBy H 1 2.601 0.005 A 3 PRO HDx H 1 3.029 0.005 A 3 PRO HDy H 1 3.698 0.005 A 3 PRO HGx H 1 1.777 0.005 A 3 PRO HGy H 1 1.998 0.005 A 4 PRO HA H 1 4.330 0.005 A 4 PRO HBx H 1 1.875 0.005 A 4 PRO HBy H 1 2.349 0.005 A 4 PRO HDx H 1 3.644 0.005 A 4 PRO HDy H 1 3.927 0.005 A 4 PRO HGx H 1 2.070 0.005 A 4 PRO HGy H 1 2.164 0.005 A 5 GLY H H 1 8.821 0.005 A 5 GLY HAx H 1 3.243 0.005 A 5 GLY HAy H 1 4.020 0.005 A 6 TRP H H 1 7.389 0.005 A 6 TRP HA H 1 5.184 0.005 A 6 TRP HBx H 1 2.944 0.005 A 6 TRP HBy H 1 3.245 0.005 A 6 TRP HD1 H 1 6.940 0.005 A 6 TRP HE1 H 1 10.625 0.005 A 6 TRP HE3 H 1 7.369 0.005 A 6 TRP HH2 H 1 6.999 0.005 A 6 TRP HZ2 H 1 7.443 0.005 A 6 TRP HZ3 H 1 6.924 0.005 A 7 GLU H H 1 9.767 0.005 A 7 GLU HA H 1 4.799 0.005 A 7 GLU HBx H 1 2.205 0.005 A 7 GLU HBy H 1 2.314 0.005 A 7 GLU HGx H 1 2.322 0.005 A 7 GLU HGy H 1 2.488 0.005 A 8 LYS H H 1 8.990 0.005 A 8 LYS HA H 1 4.284 0.005 A 8 LYS HBx H 1 1.638 0.005 A 8 LYS HBy H 1 1.777 0.005 A 8 LYS HDx H 1 1.670 0.005 A 8 LYS HDy H 1 1.729 0.005 A 8 LYS HEx H 1 2.915 0.005 A 8 LYS HEy H 1 2.915 0.005 A 8 LYS HGx H 1 0.959 0.005 A 8 LYS HGy H 1 1.055 0.005 A 9 ARG H H 1 8.830 0.005 A 9 ARG HA H 1 4.364 0.005 A 9 ARG HBx H 1 -0.139 0.005 A 9 ARG HBy H 1 -0.139 0.005 A 9 ARG HDx H 1 2.504 0.005 A 9 ARG HDy H 1 2.778 0.005 A 9 ARG HE H 1 6.950 0.005 A 9 ARG HGx H 1 1.158 0.005 A 9 ARG HGy H 1 1.314 0.005 A 10 MET H H 1 8.066 0.005 A 10 MET HA H 1 5.072 0.005 A 10 MET HBx H 1 1.791 0.005 A 10 MET HBy H 1 1.909 0.005 A 10 MET HE% H 1 2.032 0.005 A 10 MET HGx H 1 2.234 0.005 A 10 MET HGy H 1 2.336 0.005 A 11 PHE H H 1 9.054 0.005 A 11 PHE HA H 1 4.860 0.005 A 11 PHE HBx H 1 3.148 0.005 A 11 PHE HBy H 1 3.577 0.005 A 11 PHE HDx H 1 7.290 0.005 A 11 PHE HDy H 1 7.290 0.005 A 11 PHE HEx H 1 6.918 0.005 A 11 PHE HEy H 1 6.918 0.005 A 11 PHE HZ H 1 6.482 0.005 A 12 ALA H H 1 9.244 0.005 A 12 ALA HA H 1 4.170 0.005 A 12 ALA HB% H 1 1.508 0.005 A 13 ASN H H 1 7.710 0.005 A 13 ASN HA H 1 4.550 0.005 A 13 ASN HBx H 1 2.829 0.005 A 13 ASN HBy H 1 3.319 0.005 A 13 ASN HD21 H 1 8.875 0.005 A 13 ASN HD22 H 1 8.875 0.005 A 14 GLY H H 1 8.469 0.005 A 14 GLY HAx H 1 3.909 0.005 A 14 GLY HAy H 1 4.436 0.005 A 15 THR H H 1 8.072 0.005 A 15 THR HA H 1 4.377 0.005 A 15 THR HB H 1 4.506 0.005 A 15 THR HG2% H 1 1.632 0.005 A 16 VAL H H 1 8.753 0.005 A 16 VAL HA H 1 4.573 0.005 A 16 VAL HB H 1 2.020 0.005 A 16 VAL HGx% H 1 0.813 0.005 A 16 VAL HGy% H 1 1.099 0.005 A 17 TYR H H 1 8.526 0.005 A 17 TYR HA H 1 4.844 0.005 A 17 TYR HBx H 1 2.572 0.005 A 17 TYR HBy H 1 2.875 0.005 A 17 TYR HDx H 1 6.443 0.005 A 17 TYR HDy H 1 6.443 0.005 A 17 TYR HEx H 1 5.769 0.005 A 17 TYR HEy H 1 5.769 0.005 A 18 TYR H H 1 9.116 0.005 A 18 TYR HA H 1 5.223 0.005 A 18 TYR HBx H 1 2.637 0.005 A 18 TYR HBy H 1 2.895 0.005 A 18 TYR HDx H 1 6.793 0.005 A 18 TYR HDy H 1 6.793 0.005 A 18 TYR HEx H 1 6.736 0.005 A 18 TYR HEy H 1 6.736 0.005 A 19 PHE H H 1 9.319 0.005 A 19 PHE HA H 1 5.592 0.005 A 19 PHE HBx H 1 2.496 0.005 A 19 PHE HBy H 1 2.840 0.005 A 19 PHE HDx H 1 6.899 0.005 A 19 PHE HDy H 1 6.899 0.005 A 19 PHE HEx H 1 7.010 0.005 A 19 PHE HEy H 1 7.010 0.005 A 19 PHE HZ H 1 7.295 0.005 A 20 ASN H H 1 8.181 0.005 A 20 ASN HA H 1 4.398 0.005 A 20 ASN HBx H 1 -0.720 0.005 A 20 ASN HBy H 1 1.971 0.005 A 20 ASN HD2y H 1 6.577 0.005 A 20 ASN HD2x H 1 4.120 0.005 A 21 HIS H H 1 8.183 0.005 A 21 HIS HA H 1 4.144 0.005 A 21 HIS HBx H 1 3.097 0.005 A 21 HIS HBy H 1 3.354 0.005 A 21 HIS HD2 H 1 7.077 0.005 A 21 HIS HE1 H 1 8.132 0.005 A 22 ILE H H 1 8.356 0.005 A 22 ILE HA H 1 3.845 0.005 A 22 ILE HB H 1 1.989 0.005 A 22 ILE HD1% H 1 0.724 0.005 A 22 ILE HG1x H 1 0.969 0.005 A 22 ILE HG1y H 1 1.269 0.005 A 22 ILE HG21 H 1 0.781 0.005 A 22 ILE HG22 H 1 0.781 0.005 A 22 ILE HG23 H 1 0.781 0.005 A 23 THR H H 1 7.365 0.005 A 23 THR HA H 1 4.082 0.005 A 23 THR HB H 1 4.233 0.005 A 23 THR HG1 H 1 5.088 0.005 A 23 THR HG2% H 1 0.930 0.005 A 24 ASN H H 1 8.066 0.005 A 24 ASN HA H 1 4.112 0.005 A 24 ASN HBx H 1 2.927 0.005 A 24 ASN HBy H 1 3.126 0.005 A 24 ASN HD2y H 1 7.483 0.005 A 24 ASN HD2x H 1 6.886 0.005 A 25 ALA H H 1 7.133 0.005 A 25 ALA HA H 1 4.430 0.005 A 25 ALA HB% H 1 1.250 0.005 A 26 SER H H 1 8.402 0.005 A 26 SER HA H 1 6.051 0.005 A 26 SER HBx H 1 3.906 0.005 A 26 SER HBy H 1 3.968 0.005 A 27 GLN H H 1 9.440 0.005 A 27 GLN HA H 1 4.935 0.005 A 27 GLN HBx H 1 2.233 0.005 A 27 GLN HBy H 1 2.233 0.005 A 27 GLN HE2y H 1 7.456 0.005 A 27 GLN HE2x H 1 6.718 0.005 A 27 GLN HGx H 1 2.562 0.005 A 27 GLN HGy H 1 2.562 0.005 A 28 PHE H H 1 8.987 0.005 A 28 PHE HA H 1 4.845 0.005 A 28 PHE HBx H 1 3.039 0.005 A 28 PHE HBy H 1 3.474 0.005 A 28 PHE HDx H 1 7.703 0.005 A 28 PHE HDy H 1 7.703 0.005 A 28 PHE HEx H 1 7.423 0.005 A 28 PHE HEy H 1 7.423 0.005 A 28 PHE HZ H 1 7.379 0.005 A 29 GLU H H 1 8.173 0.005 A 29 GLU HA H 1 4.335 0.005 A 29 GLU HBx H 1 1.864 0.005 A 29 GLU HBy H 1 1.870 0.005 A 29 GLU HGx H 1 2.266 0.005 A 29 GLU HGy H 1 2.330 0.005 A 30 ARG H H 1 8.596 0.005 A 30 ARG HA H 1 2.648 0.005 A 30 ARG HBx H 1 1.370 0.005 A 30 ARG HBy H 1 1.370 0.005 A 30 ARG HDx H 1 2.995 0.005 A 30 ARG HDy H 1 2.995 0.005 A 30 ARG HE H 1 7.427 0.005 A 30 ARG HGx H 1 0.927 0.005 A 30 ARG HGy H 1 1.184 0.005 A 31 PRO HA H 1 3.873 0.005 A 31 PRO HBx H 1 0.701 0.005 A 31 PRO HBy H 1 0.809 0.005 A 31 PRO HDx H 1 2.251 0.005 A 31 PRO HDy H 1 2.418 0.005 A 31 PRO HGx H 1 -0.071 0.005 A 31 PRO HGy H 1 0.542 0.005 A 32 SER H H 1 8.242 0.005 A 32 SER HA H 1 4.288 0.005 A 32 SER HBx H 1 3.717 0.005 A 32 SER HBy H 1 3.780 0.005 A 33 GLY H H 1 7.985 0.005 A 33 GLY HAx H 1 3.706 0.005 A 33 GLY HAy H 1 3.801 0.005 B 1 NAG H1 H 1 4.934 0.005 B 1 NAG H2 H 1 3.693 0.005 B 1 NAG H3 H 1 3.294 0.005 B 1 NAG H4 H 1 3.436 0.005 B 1 NAG H5 H 1 2.357 0.005 B 1 NAG H6x H 1 2.552 0.005 B 1 NAG H6y H 1 3.037 0.005 B 1 NAG H83 H 1 1.941 0.005 B 1 NAG HN2 H 1 7.831 0.005 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 6 TRP HBx A 6 TRP H 1.0 . 3.5 2 2 A 6 TRP H A 6 TRP HBy 1.0 . 3.5 3 3 A 7 GLU HBx A 7 GLU H 1.0 . 4.5 4 4 A 8 LYS HBx A 8 LYS H 1.0 . 4.0 5 5 A 8 LYS H A 8 LYS HBy 1.0 . 3.5 6 6 A 9 ARG H A 9 ARG HBx 1.0 . 4.5 7 6 A 9 ARG HBy A 9 ARG H 1.0 . 4.5 8 7 A 10 MET HBx A 10 MET H 1.0 . 4.0 9 8 A 11 PHE HBx A 11 PHE H 1.0 . 4.0 10 9 A 11 PHE H A 11 PHE HBy 1.0 . 4.0 11 10 A 12 ALA HB% A 12 ALA H 1.0 . 4.5 12 11 A 13 ASN HBx A 13 ASN H 1.0 . 4.5 13 12 A 13 ASN H A 13 ASN HBy 1.0 . 4.5 14 13 A 15 THR HB A 15 THR H 1.0 . 3.5 15 14 A 16 VAL HB A 16 VAL H 1.0 . 5.0 16 15 A 19 PHE HBy A 19 PHE H 1.0 . 4.0 17 16 A 19 PHE H A 19 PHE HBx 1.0 . 4.0 18 17 A 20 ASN HBx A 20 ASN H 1.0 . 4.0 19 18 A 20 ASN H A 20 ASN HBy 1.0 . 4.0 20 19 A 22 ILE HB A 22 ILE H 1.0 . 3.5 21 20 A 26 SER H A 26 SER HBx 1.0 . 4.0 22 21 A 26 SER H A 26 SER HBy 1.0 . 4.0 23 22 A 27 GLN H A 27 GLN HBx 1.0 . 4.0 24 22 A 27 GLN HBy A 27 GLN H 1.0 . 4.0 25 23 A 28 PHE HBx A 28 PHE H 1.0 . 4.0 26 24 A 28 PHE H A 28 PHE HBy 1.0 . 4.0 27 25 A 2 LEU HBx A 2 LEU HA 1.0 . 4.0 28 26 A 2 LEU HA A 2 LEU HBy 1.0 . 4.0 29 27 A 6 TRP HBx A 6 TRP HA 1.0 . 4.0 30 28 A 6 TRP HBy A 6 TRP HA 1.0 . 4.0 31 29 A 7 GLU HBx A 7 GLU HA 1.0 . 3.5 32 30 A 8 LYS HBx A 8 LYS HA 1.0 . 4.0 33 31 A 8 LYS HBy A 8 LYS HA 1.0 . 4.0 34 32 A 9 ARG HA A 9 ARG HBx 1.0 . 4.0 35 32 A 9 ARG HBy A 9 ARG HA 1.0 . 4.0 36 33 A 10 MET HBx A 10 MET HA 1.0 . 4.0 37 34 A 10 MET HA A 10 MET HBy 1.0 . 4.0 38 35 A 11 PHE HBx A 11 PHE HA 1.0 . 4.5 39 36 A 11 PHE HBy A 11 PHE HA 1.0 . 4.0 40 37 A 13 ASN HBx A 13 ASN HA 1.0 . 3.5 41 38 A 13 ASN HBy A 13 ASN HA 1.0 . 3.5 42 39 A 16 VAL HB A 16 VAL HA 1.0 . 4.0 43 40 A 17 TYR HBx A 17 TYR HA 1.0 . 3.5 44 41 A 17 TYR HA A 17 TYR HBy 1.0 . 4.0 45 42 A 18 TYR HBx A 18 TYR HA 1.0 . 4.0 46 43 A 18 TYR HA A 18 TYR HBy 1.0 . 3.5 47 44 A 19 PHE HBy A 19 PHE HA 1.0 . 4.0 48 45 A 19 PHE HBx A 19 PHE HA 1.0 . 4.0 49 46 A 20 ASN HBx A 20 ASN HA 1.0 . 4.0 50 47 A 20 ASN HBy A 20 ASN HA 1.0 . 4.0 51 48 A 21 HIS HBx A 21 HIS HA 1.0 . 3.5 52 49 A 22 ILE HB A 22 ILE HA 1.0 . 4.0 53 50 A 24 ASN HBx A 24 ASN HA 1.0 . 3.5 54 51 A 26 SER HA A 26 SER HBy 1.0 . 4.0 55 51 A 26 SER HBx A 26 SER HA 1.0 . 4.0 56 52 A 26 SER HA A 26 SER HBy 1.0 . 4.0 57 53 A 27 GLN HA A 27 GLN HBx 1.0 . 3.5 58 53 A 27 GLN HBy A 27 GLN HA 1.0 . 3.5 59 54 A 28 PHE HBx A 28 PHE HA 1.0 . 3.5 60 55 A 28 PHE HBy A 28 PHE HA 1.0 . 3.5 61 56 A 29 GLU HBx A 29 GLU HA 1.0 . 3.5 62 57 A 29 GLU HA A 29 GLU HBy 1.0 . 3.5 63 58 A 30 ARG HA A 30 ARG HBx 1.0 . 4.0 64 58 A 30 ARG HBy A 30 ARG HA 1.0 . 4.0 65 59 A 9 ARG H A 9 ARG HGx 1.0 . 4.5 66 60 A 9 ARG H A 9 ARG HGy 1.0 . 4.5 67 61 A 11 PHE H A 11 PHE HD% 1.0 . 4.0 68 62 A 11 PHE HA A 11 PHE HD% 1.0 . 3.5 69 63 A 15 THR H A 15 THR HG2% 1.0 . 5.0 70 64 A 16 VAL H A 16 VAL HGx% 1.0 . 5.0 71 65 A 16 VAL H A 16 VAL HGy% 1.0 . 4.5 72 66 A 17 TYR HD% A 17 TYR H 1.0 . 4.0 73 67 A 17 TYR H A 17 TYR HE% 1.0 . 5.0 74 68 A 17 TYR HBx A 17 TYR HD% 1.0 . 4.0 75 69 A 17 TYR HBy A 17 TYR HD% 1.0 . 3.5 76 70 A 18 TYR HD% A 18 TYR H 1.0 . 4.0 77 71 A 18 TYR H A 18 TYR HE% 1.0 . 5.0 78 72 A 18 TYR HA A 18 TYR HD% 1.0 . 3.5 79 73 A 18 TYR HA A 18 TYR HE% 1.0 . 5.6 80 74 A 19 PHE H A 19 PHE HD% 1.0 . 5.0 81 75 A 28 PHE HBx A 28 PHE HD% 1.0 . 4.0 82 76 A 28 PHE HBy A 28 PHE HD% 1.0 . 4.0 83 77 A 28 PHE H A 28 PHE HD% 1.0 . 4.0 84 78 A 28 PHE HA A 28 PHE HE% 1.0 . 5.0 85 79 A 28 PHE HBx A 28 PHE HE% 1.0 . 5.0 86 80 A 28 PHE HBy A 28 PHE HE% 1.0 . 5.0 87 81 A 6 TRP H A 7 GLU H 1.0 . 5.0 88 82 A 7 GLU H A 8 LYS H 1.0 . 4.5 89 83 A 8 LYS H A 9 ARG H 1.0 . 5.0 90 84 A 9 ARG H A 10 MET H 1.0 . 5.0 91 85 A 13 ASN H A 14 GLY H 1.0 . 4.5 92 86 A 15 THR H A 14 GLY H 1.0 . 4.0 93 87 A 15 THR H A 16 VAL H 1.0 . 5.0 94 88 A 17 TYR H A 18 TYR H 1.0 . 5.0 95 89 A 19 PHE H A 20 ASN H 1.0 . 5.0 96 90 A 26 SER H A 25 ALA H 1.0 . 5.0 97 91 A 27 GLN H A 28 PHE H 1.0 . 5.0 98 92 A 28 PHE H A 29 GLU H 1.0 . 4.0 99 93 A 6 TRP H A 5 GLY HAy 1.0 . 4.0 100 94 A 7 GLU H A 6 TRP HA 1.0 . 3.0 101 95 A 8 LYS H A 7 GLU HA 1.0 . 3.0 102 96 A 9 ARG H A 8 LYS HA 1.0 . 3.0 103 97 A 10 MET H A 9 ARG HA 1.0 . 3.0 104 98 A 11 PHE H A 10 MET HA 1.0 . 3.0 105 99 A 12 ALA H A 11 PHE HA 1.0 . 4.0 106 100 A 13 ASN H A 12 ALA HA 1.0 . 4.5 107 101 A 13 ASN HA A 14 GLY H 1.0 . 4.0 108 102 A 15 THR H A 14 GLY HAx 1.0 . 4.0 109 103 A 16 VAL H A 15 THR HA 1.0 . 3.0 110 104 A 16 VAL HA A 17 TYR H 1.0 . 3.0 111 105 A 17 TYR HA A 18 TYR H 1.0 . 3.0 112 106 A 19 PHE H A 18 TYR HA 1.0 . 3.0 113 107 A 20 ASN H A 19 PHE HA 1.0 . 3.0 114 108 A 22 ILE H A 21 HIS HA 1.0 . 4.0 115 109 A 22 ILE HA A 23 THR H 1.0 . 4.0 116 110 A 24 ASN HA A 25 ALA H 1.0 . 4.0 117 111 A 26 SER H A 25 ALA HA 1.0 . 3.0 118 112 A 27 GLN H A 26 SER HA 1.0 . 3.0 119 113 A 28 PHE H A 27 GLN HA 1.0 . 3.0 120 114 A 28 PHE HA A 29 GLU H 1.0 . 4.0 121 115 A 29 GLU HA A 30 ARG H 1.0 . 3.0 122 116 A 31 PRO HA A 32 SER H 1.0 . 3.0 123 117 A 32 SER HA A 33 GLY H 1.0 . 3.5 124 118 A 10 MET H A 9 ARG HBx 1.0 . 5.0 125 118 A 9 ARG HBy A 10 MET H 1.0 . 5.0 126 119 A 10 MET HBx A 11 PHE H 1.0 . 4.5 127 120 A 11 PHE H A 10 MET HBy 1.0 . 4.5 128 121 A 11 PHE HBx A 12 ALA H 1.0 . 4.5 129 122 A 11 PHE HBy A 12 ALA H 1.0 . 4.5 130 123 A 12 ALA HB% A 13 ASN H 1.0 . 5.0 131 124 A 13 ASN HBx A 14 GLY H 1.0 . 4.5 132 125 A 13 ASN HBy A 14 GLY H 1.0 . 5.0 133 126 A 15 THR HB A 16 VAL H 1.0 . 4.5 134 127 A 16 VAL HB A 17 TYR H 1.0 . 4.5 135 128 A 19 PHE H A 18 TYR HBx 1.0 . 4.5 136 129 A 19 PHE HBx A 20 ASN H 1.0 . 4.5 137 130 A 27 GLN H A 26 SER HBy 1.0 . 4.0 138 130 A 27 GLN H A 26 SER HBx 1.0 . 4.0 139 131 A 27 GLN H A 26 SER HBy 1.0 . 4.5 140 132 A 32 SER H A 31 PRO HBy 1.0 . 4.0 141 133 A 32 SER H A 31 PRO HBx 1.0 . 4.0 142 134 A 9 ARG H A 8 LYS HGx 1.0 . 4.5 143 134 A 9 ARG H A 8 LYS HGy 1.0 . 4.5 144 135 A 12 ALA H A 11 PHE HD% 1.0 . 5.0 145 136 A 10 MET HA A 11 PHE HD% 1.0 . 5.0 146 137 A 16 VAL H A 15 THR HG2% 1.0 . 5.0 147 138 A 16 VAL HGy% A 15 THR HA 1.0 . 5.0 148 139 A 16 VAL HGx% A 17 TYR H 1.0 . 5.0 149 140 A 16 VAL HGy% A 17 TYR H 1.0 . 4.5 150 141 A 16 VAL HA A 17 TYR HD% 1.0 . 4.0 151 142 A 18 TYR HA A 17 TYR HD% 1.0 . 4.5 152 143 A 19 PHE H A 18 TYR HD% 1.0 . 5.0 153 144 A 22 ILE H A 21 HIS HD2 1.0 . 4.5 154 145 A 22 ILE HA A 21 HIS HD2 1.0 . 4.5 155 146 A 22 ILE HG21 A 23 THR HA 1.0 . 5.0 156 147 A 28 PHE H A 27 GLN HGx 1.0 . 5.0 157 147 A 28 PHE H A 27 GLN HGy 1.0 . 5.0 158 148 A 28 PHE HD% A 29 GLU H 1.0 . 5.4 159 149 A 32 SER H A 31 PRO HGx 1.0 . 5.0 160 150 A 11 PHE H A 17 TYR H 1.0 . 5.4 161 151 A 14 GLY H A 12 ALA HA 1.0 . 4.5 162 152 A 19 PHE HA A 26 SER HA 1.0 . 4.0 163 153 A 7 GLU HBx A 19 PHE H 1.0 . 5.4 164 154 A 9 ARG H A 16 VAL HGx% 1.0 . 5.0 165 155 A 9 ARG H A 16 VAL HGy% 1.0 . 5.6 166 156 A 9 ARG H A 17 TYR HD% 1.0 . 5.0 167 157 A 9 ARG H A 18 TYR HD% 1.0 . 5.0 168 158 A 9 ARG H A 18 TYR HE% 1.0 . 5.4 169 159 A 10 MET HA A 16 VAL HGx% 1.0 . 5.6 170 160 A 10 MET HA A 16 VAL HGy% 1.0 . 5.0 171 161 A 10 MET HA A 17 TYR HD% 1.0 . 4.0 172 162 A 10 MET H A 17 TYR HE% 1.0 . 4.5 173 163 A 10 MET HA A 17 TYR HE% 1.0 . 4.0 174 164 A 11 PHE H A 15 THR HB 1.0 . 5.0 175 165 A 11 PHE H A 17 TYR HD% 1.0 . 4.5 176 166 A 11 PHE H A 17 TYR HE% 1.0 . 4.0 177 167 A 11 PHE HA A 17 TYR HE% 1.0 . 4.0 178 168 A 11 PHE HBy A 13 ASN H 1.0 . 4.5 179 169 A 11 PHE HBy A 15 THR H 1.0 . 4.5 180 170 A 11 PHE HD% A 15 THR HA 1.0 . 5.0 181 171 A 12 ALA HB% A 14 GLY H 1.0 . 5.6 182 172 A 15 THR H A 17 TYR HE% 1.0 . 6.0 183 173 A 17 TYR HD% A 18 TYR H 1.0 . 4.0 184 174 A 19 PHE HA A 17 TYR HD% 1.0 . 4.5 185 175 A 26 SER HA A 17 TYR HD% 1.0 . 4.0 186 176 A 27 GLN H A 17 TYR HD% 1.0 . 4.0 187 177 A 19 PHE H A 17 TYR HE% 1.0 . 5.5 188 178 A 19 PHE HA A 17 TYR HE% 1.0 . 4.5 189 179 A 19 PHE HA A 26 SER HBx 1.0 . 4.5 190 180 A 19 PHE HA A 26 SER HBy 1.0 . 4.5 191 181 A 19 PHE HBx A 26 SER HA 1.0 . 4.5 192 182 A 19 PHE HZ A 24 ASN H 1.0 . 4.5 193 183 A 17 TYR HD% A 9 ARG HBx 1.0 . 5.0 194 183 A 9 ARG HBy A 17 TYR HD% 1.0 . 5.0 195 184 A 17 TYR HE% A 9 ARG HBx 1.0 . 5.0 196 184 A 9 ARG HBy A 17 TYR HE% 1.0 . 5.0 197 185 A 19 PHE HD% A 9 ARG HBx 1.0 . 6.0 198 185 A 9 ARG HBy A 19 PHE HD% 1.0 . 6.0 199 186 A 9 ARG HGx A 17 TYR HD% 1.0 . 4.5 200 187 A 9 ARG HGx A 17 TYR HE% 1.0 . 4.0 201 188 A 9 ARG HGy A 17 TYR HE% 1.0 . 4.0 202 189 A 9 ARG HGx A 19 PHE HD% 1.0 . 5.0 203 190 A 17 TYR HE% A 9 ARG HDx 1.0 . 5.0 204 191 A 17 TYR HE% A 9 ARG HDy 1.0 . 5.6 205 192 A 11 PHE HD% A 17 TYR HD% 1.0 . 4.0 206 193 A 11 PHE HBx A 15 THR HB 1.0 . 4.0 207 194 A 11 PHE HBy A 15 THR HB 1.0 . 4.0 208 195 A 15 THR HB A 11 PHE HD% 1.0 . 3.5 209 196 A 11 PHE HD% A 15 THR HG2% 1.0 . 5.0 210 197 A 17 TYR HBy A 11 PHE HD% 1.0 . 4.5 211 198 A 11 PHE HD% A 17 TYR HE% 1.0 . 4.0 212 199 A 11 PHE HD% A 28 PHE HE% 1.0 . 4.0 213 200 A 15 THR HB A 11 PHE HE% 1.0 . 5.0 214 201 A 15 THR HG2% A 11 PHE HE% 1.0 . 5.0 215 202 A 17 TYR HE% A 11 PHE HE% 1.0 . 5.0 216 203 A 28 PHE HD% A 11 PHE HE% 1.0 . 5.6 217 204 A 28 PHE HE% A 11 PHE HZ 1.0 . 5.0 218 205 A 11 PHE HZ A 28 PHE HZ 1.0 . 5.0 219 206 A 15 THR HG2% A 17 TYR HD% 1.0 . 5.6 220 207 A 15 THR HG2% A 28 PHE HD% 1.0 . 5.0 221 208 A 15 THR HG2% A 28 PHE HE% 1.0 . 5.0 222 209 A 15 THR HG2% A 28 PHE HZ 1.0 . 5.6 223 210 A 17 TYR HBx A 28 PHE HD% 1.0 . 4.0 224 211 A 17 TYR HBy A 28 PHE HD% 1.0 . 4.0 225 212 A 17 TYR HBy A 28 PHE HE% 1.0 . 4.0 226 213 A 19 PHE HBy A 17 TYR HD% 1.0 . 5.6 227 214 A 17 TYR HD% A 26 SER HBy 1.0 . 4.0 228 214 A 26 SER HBx A 17 TYR HD% 1.0 . 4.0 229 215 A 17 TYR HD% A 26 SER HBy 1.0 . 4.0 230 216 A 17 TYR HD% A 28 PHE HD% 1.0 . 5.4 231 217 A 17 TYR HD% A 28 PHE HE% 1.0 . 4.5 232 218 A 17 TYR HE% A 19 PHE HD% 1.0 . 4.0 233 219 A 17 TYR HE% A 19 PHE HE% 1.0 . 5.4 234 220 A 19 PHE HBy A 17 TYR HE% 1.0 . 4.5 235 221 A 19 PHE HBx A 17 TYR HE% 1.0 . 4.0 236 222 A 17 TYR HE% A 26 SER HBy 1.0 . 4.5 237 222 A 26 SER HBx A 17 TYR HE% 1.0 . 4.5 238 223 A 17 TYR HE% A 26 SER HBy 1.0 . 4.0 239 224 A 19 PHE HD% A 21 HIS HBy 1.0 . 4.0 240 225 A 21 HIS HBx A 19 PHE HD% 1.0 . 4.5 241 226 A 26 SER HBx A 19 PHE HD% 1.0 . 4.0 242 227 A 19 PHE HD% A 26 SER HBy 1.0 . 4.0 243 228 A 19 PHE HE% A 21 HIS HBy 1.0 . 4.0 244 229 A 21 HIS HBx A 19 PHE HE% 1.0 . 4.0 245 230 A 26 SER HBx A 19 PHE HE% 1.0 . 6.0 246 231 A 19 PHE HE% A 26 SER HBy 1.0 . 4.5 247 232 A 7 GLU H A 19 PHE H 1.0 . 4.0 248 233 A 7 GLU H A 20 ASN HA 1.0 . 4.0 249 234 A 19 PHE H A 8 LYS HA 1.0 . 4.5 250 235 A 9 ARG H A 17 TYR H 1.0 . 4.0 251 236 A 9 ARG H A 18 TYR HA 1.0 . 4.0 252 237 A 9 ARG H A 19 PHE H 1.0 . 4.5 253 238 A 27 GLN H A 18 TYR H 1.0 . 4.0 254 239 A 27 GLN H A 19 PHE HA 1.0 . 4.0 255 240 A 20 ASN H A 26 SER HA 1.0 . 4.0 256 241 A 5 GLY H A 22 ILE HD1% 1.0 . 5.6 257 242 A 22 ILE HD1% A 5 GLY HAx 1.0 . 5.0 258 243 A 5 GLY HAy A 22 ILE HD1% 1.0 . 5.0 259 244 A 6 TRP H A 2 LEU HDx% 1.0 . 6.0 260 245 A 6 TRP HA A 2 LEU HDx% 1.0 . 6.0 261 246 A 7 GLU HA A 2 LEU HDx% 1.0 . 6.0 262 247 A 8 LYS H A 18 TYR HD% 1.0 . 4.5 263 248 A 20 ASN H A 25 ALA HB% 1.0 . 5.6 264 249 A 20 ASN HBx A 25 ALA H 1.0 . 4.0 265 250 A 20 ASN HBy A 25 ALA H 1.0 . 4.0 266 251 A 18 TYR HD% A 30 ARG H 1.0 . 5.6 267 252 A 18 TYR HE% A 2 LEU HG 1.0 . 5.6 268 253 A 18 TYR HD% A 2 LEU HDy% 1.0 . 5.0 269 254 A 18 TYR HE% A 2 LEU HDy% 1.0 . 5.5 270 255 A 6 TRP HBy A 2 LEU HDx% 1.0 . 5.0 271 256 A 18 TYR HD% A 2 LEU HDx% 1.0 . 4.5 272 257 A 18 TYR HE% A 2 LEU HDx% 1.0 . 5.6 273 258 A 18 TYR HD% A 30 ARG HBx 1.0 . 5.0 274 258 A 30 ARG HBy A 18 TYR HD% 1.0 . 5.0 275 259 A 18 TYR HE% A 30 ARG HBx 1.0 . 5.0 276 259 A 30 ARG HBy A 18 TYR HE% 1.0 . 5.0 277 260 A 18 TYR HE% A 30 ARG HGy 1.0 . 4.5 278 261 A 18 TYR HD% A 31 PRO HGy 1.0 . 5.0 279 262 A 18 TYR HD% A 31 PRO HGx 1.0 . 5.4 280 263 A 18 TYR HE% A 31 PRO HGy 1.0 . 6.0 281 264 A 18 TYR HD% A 31 PRO HDy 1.0 . 4.0 282 265 A 18 TYR HE% A 31 PRO HDy 1.0 . 4.5 283 266 A 20 ASN HBx A 25 ALA HB% 1.0 . 5.0 284 267 A 25 ALA HB% A 23 THR HB 1.0 . 5.0 285 268 A 25 ALA HB% A 23 THR HG1 1.0 . 5.0 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 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 6 TRP H A 3 PRO O 1.0 . 2.5 2 2 A 3 PRO O A 6 TRP N 1.0 . 3.6 3 3 A 7 GLU H A 19 PHE O 1.0 . 2.2 4 4 A 19 PHE O A 7 GLU N 1.0 . 3.0 5 5 A 9 ARG H A 17 TYR O 1.0 . 2.4 6 6 A 17 TYR O A 9 ARG N 1.0 . 3.4 7 7 A 11 PHE H A 15 THR O 1.0 . 2.4 8 8 A 15 THR O A 11 PHE N 1.0 . 3.4 9 9 A 14 GLY H A 11 PHE O 1.0 . 2.4 10 10 A 11 PHE O A 14 GLY N 1.0 . 3.4 11 11 A 15 THR H A 11 PHE O 1.0 . 3.2 12 12 A 11 PHE O A 15 THR N 1.0 . 3.8 13 13 A 17 TYR H A 9 ARG O 1.0 . 2.3 14 14 A 9 ARG O A 17 TYR N 1.0 . 3.3 15 15 A 18 TYR H A 27 GLN O 1.0 . 2.3 16 16 A 27 GLN O A 18 TYR N 1.0 . 3.3 17 17 A 19 PHE H A 7 GLU O 1.0 . 2.2 18 18 A 7 GLU O A 19 PHE N 1.0 . 3.0 19 19 A 20 ASN H A 25 ALA O 1.0 . 2.3 20 20 A 25 ALA O A 20 ASN N 1.0 . 3.3 21 21 A 21 HIS H A 5 GLY O 1.0 . 2.3 22 22 A 5 GLY O A 21 HIS N 1.0 . 3.3 23 23 A 22 ILE H A 20 ASN OD1 1.0 . 2.3 24 24 A 20 ASN OD1 A 22 ILE N 1.0 . 3.3 25 25 A 23 THR H A 20 ASN OD1 1.0 . 2.3 26 26 A 20 ASN OD1 A 23 THR N 1.0 . 3.3 27 27 A 24 ASN H A 20 ASN O 1.0 . 2.3 28 28 A 20 ASN O A 24 ASN N 1.0 . 3.3 29 29 A 25 ALA H A 23 THR OG1 1.0 . 2.2 30 30 A 23 THR OG1 A 25 ALA N 1.0 . 3.2 31 31 A 27 GLN H A 18 TYR O 1.0 . 2.4 32 32 A 18 TYR O A 27 GLN N 1.0 . 3.4 stop_ save_