data_nef_c19103_2m62 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 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 3 CYS SG 1 12 CYS SG 1 4 CYS SG 1 9 CYS SG 1 10 TYR C 1 11 HYP N 1 11 HYP C 1 12 CYS 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 GLY start . false 2 A 2 VAL middle . . 3 A 3 CYS middle -HG . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 VAL middle . . 7 A 7 SER middle . . 8 A 8 PHE middle . . 9 A 9 CYS middle -HG . 10 A 10 TYR middle . . 11 A 11 HYP middle . . 12 A 12 CYS end -HG . 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 GLY HA2 H 1 3.72 0.003 A 1 GLY HA3 H 1 3.72 0.003 A 1 GLY CA C 13 41.34 0.05 A 2 VAL H H 1 8.43 0.05 A 2 VAL HA H 1 4.52 0.003 A 2 VAL HB H 1 1.80 0.05 A 2 VAL HGx% H 1 0.87 0.003 A 2 VAL HGy% H 1 0.81 0.003 A 2 VAL CA C 13 60.40 0.05 A 2 VAL CB C 13 32.94 0.05 A 2 VAL CG1 C 13 19.08 0.05 A 2 VAL CG2 C 13 19.78 0.05 A 3 CYS H H 1 8.63 0.003 A 3 CYS HA H 1 4.88 0.003 A 3 CYS HBy H 1 2.46 0.003 A 3 CYS HBx H 1 2.24 0.003 A 3 CYS CA C 13 56.97 0.00 A 3 CYS CB C 13 36.70 0.05 A 4 CYS H H 1 8.79 0.003 A 4 CYS HA H 1 5.14 0.003 A 4 CYS HBy H 1 3.08 0.003 A 4 CYS HBx H 1 2.73 0.003 A 4 CYS CA C 13 54.80 0.05 A 4 CYS CB C 13 45.97 0.05 A 5 GLY H H 1 8.79 0.003 A 5 GLY HAy H 1 4.48 0.003 A 5 GLY HAx H 1 3.61 0.003 A 5 GLY CA C 13 41.83 0.05 A 6 VAL H H 1 8.25 0.003 A 6 VAL HA H 1 3.82 0.003 A 6 VAL HB H 1 2.09 0.003 A 6 VAL HGx% H 1 1.04 0.003 A 6 VAL HGy% H 1 1.02 0.003 A 6 VAL CA C 13 63.22 0.05 A 6 VAL CB C 13 30.20 0.05 A 6 VAL CGx C 13 18.78 0.05 A 6 VAL CGy C 13 19.15 0.05 A 7 SER H H 1 7.79 0.003 A 7 SER HA H 1 4.48 0.003 A 7 SER HBy H 1 3.84 0.003 A 7 SER HBx H 1 3.75 0.003 A 7 SER CA C 13 57.60 0.05 A 7 SER CB C 13 63.21 0.05 A 8 PHE H H 1 7.19 0.003 A 8 PHE HA H 1 4.85 0.003 A 8 PHE HBy H 1 3.42 0.003 A 8 PHE HBx H 1 3.16 0.003 A 8 PHE HD1 H 1 7.25 0.003 A 8 PHE HD2 H 1 7.25 0.003 A 8 PHE HE1 H 1 7.28 0.003 A 8 PHE HE2 H 1 7.28 0.003 A 8 PHE HZ H 1 7.18 0.003 A 8 PHE CB C 13 38.80 0.05 A 8 PHE CD1 C 13 130.1 0.05 A 8 PHE CD2 C 13 130.1 0.05 A 8 PHE CE1 C 13 130.1 0.05 A 8 PHE CE2 C 13 130.1 0.05 A 8 PHE CZ C 13 128.9 0.05 A 9 CYS H H 1 8.80 0.003 A 9 CYS HA H 1 5.70 0.003 A 9 CYS HBy H 1 2.89 0.003 A 9 CYS HBx H 1 2.81 0.003 A 9 CYS CA C 13 54.84 0.05 A 9 CYS CB C 13 46.33 0.05 A 10 TYR H H 1 9.23 0.003 A 10 TYR HA H 1 5.21 0.003 A 10 TYR HBy H 1 3.10 0.003 A 10 TYR HBx H 1 3.05 0.003 A 10 TYR HD1 H 1 7.03 0.003 A 10 TYR HD2 H 1 7.03 0.003 A 10 TYR HE1 H 1 6.52 0.003 A 10 TYR HE2 H 1 6.52 0.003 A 10 TYR CA C 13 53.27 0.05 A 10 TYR CB C 13 36.42 0.05 A 10 TYR CD1 C 13 133.3 0.05 A 10 TYR CD2 C 13 133.3 0.05 A 10 TYR CE1 C 13 115.2 0.05 A 10 TYR CE2 C 13 115.2 0.05 A 11 HYP HA H 1 5.18 0.003 A 11 HYP HBy H 1 2.32 0.003 A 11 HYP HBx H 1 2.11 0.003 A 11 HYP HD2y H 1 3.95 0.003 A 11 HYP HD2x H 1 3.86 0.003 A 11 HYP HG H 1 4.60 0.003 A 11 HYP CA C 13 59.74 0.05 A 11 HYP CB C 13 38.71 0.05 A 11 HYP CD C 13 56.95 0.05 A 11 HYP CG C 13 71.10 0.05 A 12 CYS H H 1 8.25 0.003 A 12 CYS HA H 1 4.66 0.003 A 12 CYS HBy H 1 3.36 0.003 A 12 CYS HBx H 1 3.31 0.003 A 12 CYS CA C 13 54.75 0.05 A 12 CYS CB C 13 42.68 0.05 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 VAL H A 1 GLY HA2 1.0 . 2.4 2 1 A 1 GLY HA3 A 2 VAL H 1.0 . 2.4 3 2 A 2 VAL H A 2 VAL HA 1.0 . 3.5 4 3 A 2 VAL H A 2 VAL HB 1.0 . 5.0 5 4 A 2 VAL HA A 2 VAL HB 1.0 . 3.5 6 5 A 2 VAL HA A 2 VAL HGx% 1.0 . 4.0 7 6 A 2 VAL HA A 2 VAL HGy% 1.0 . 4.0 8 7 A 2 VAL HB A 2 VAL HGx% 1.0 . 3.5 9 8 A 2 VAL HB A 2 VAL HGy% 1.0 . 3.5 10 9 A 2 VAL HA A 3 CYS H 1.0 . 2.4 11 10 A 2 VAL HGy% A 3 CYS H 1.0 . 5.0 12 11 A 2 VAL HGy% A 9 CYS HBx 1.0 . 5.0 13 12 A 3 CYS H A 3 CYS HA 1.0 . 3.5 14 13 A 3 CYS H A 3 CYS HBx 1.0 . 4.0 15 14 A 3 CYS HA A 3 CYS HBy 1.0 . 4.0 16 15 A 3 CYS HA A 3 CYS HBx 1.0 . 4.0 17 16 A 3 CYS HA A 4 CYS H 1.0 . 3.5 18 17 A 3 CYS HBx A 4 CYS H 1.0 . 5.0 19 18 A 3 CYS H A 10 TYR H 1.0 . 3.5 20 19 A 10 TYR H A 3 CYS O 1.0 . 2.0 21 20 A 3 CYS O A 10 TYR N 1.0 . 3.0 22 21 A 3 CYS HBy A 10 TYR HE2 1.0 . 3.5 23 22 A 3 CYS HBy A 10 TYR HD2 1.0 . 3.5 24 23 A 3 CYS CA A 12 CYS CA 1.0 . 6.5 25 24 A 3 CYS CB A 12 CYS CB 1.0 . 5.5 26 25 A 4 CYS H A 4 CYS HA 1.0 . 3.5 27 26 A 4 CYS H A 4 CYS HBy 1.0 . 4.0 28 27 A 4 CYS HA A 4 CYS HBy 1.0 . 5.0 29 28 A 4 CYS HA A 4 CYS HBx 1.0 . 3.5 30 29 A 4 CYS HA A 5 GLY H 1.0 . 2.4 31 30 A 4 CYS HBx A 5 GLY H 1.0 . 5.0 32 31 A 4 CYS HA A 9 CYS HA 1.0 . 2.6 33 32 A 4 CYS CA A 9 CYS CA 1.0 . 6.5 34 33 A 4 CYS CB A 9 CYS CB 1.0 . 5.5 35 34 A 5 GLY H A 5 GLY HAy 1.0 . 3.5 36 35 A 5 GLY H A 5 GLY HAx 1.0 . 5.0 37 36 A 5 GLY HAy A 6 VAL H 1.0 . 2.4 38 37 A 5 GLY HAx A 6 VAL H 1.0 . 5.0 39 38 A 5 GLY H A 8 PHE H 1.0 . 3.5 40 39 A 8 PHE H A 5 GLY O 1.0 . 2.0 41 40 A 5 GLY O A 8 PHE N 1.0 . 3.0 42 41 A 6 VAL H A 6 VAL HA 1.0 . 3.5 43 42 A 6 VAL H A 6 VAL HB 1.0 . 4.0 44 43 A 6 VAL H A 6 VAL HGx% 1.0 . 4.0 45 44 A 6 VAL H A 6 VAL HGy% 1.0 . 4.0 46 45 A 6 VAL HA A 6 VAL HB 1.0 . 3.5 47 46 A 6 VAL HA A 6 VAL HGx% 1.0 . 4.0 48 47 A 6 VAL HA A 6 VAL HGy% 1.0 . 4.0 49 48 A 6 VAL H A 7 SER H 1.0 . 2.6 50 49 A 6 VAL HA A 7 SER H 1.0 . 3.5 51 50 A 6 VAL HB A 7 SER H 1.0 . 5.0 52 51 A 6 VAL HGx% A 7 SER H 1.0 . 6.0 53 52 A 6 VAL HGy% A 7 SER H 1.0 . 0.0 54 53 A 7 SER H A 7 SER HA 1.0 . 3.5 55 54 A 7 SER H A 7 SER HBy 1.0 . 4.0 56 55 A 7 SER HA A 7 SER HBx 1.0 . 3.5 57 56 A 7 SER HA A 7 SER HBy 1.0 . 3.5 58 57 A 8 PHE H A 7 SER H 1.0 . 2.6 59 58 A 8 PHE H A 7 SER HA 1.0 . 3.5 60 59 A 8 PHE H A 7 SER HBy 1.0 . 4.0 61 60 A 7 SER HBy A 8 PHE HD1 1.0 . 5.0 62 61 A 8 PHE H A 8 PHE HA 1.0 . 3.5 63 62 A 8 PHE H A 8 PHE HBy 1.0 . 4.0 64 63 A 8 PHE H A 8 PHE HBx 1.0 . 3.5 65 64 A 8 PHE H A 8 PHE HD1 1.0 . 3.5 66 65 A 8 PHE HBy A 8 PHE HD2 1.0 . 3.5 67 66 A 8 PHE HD1 A 8 PHE HBx 1.0 . 3.5 68 67 A 5 GLY H A 8 PHE O 1.0 . 2.0 69 68 A 8 PHE O A 5 GLY N 1.0 . 3.0 70 69 A 8 PHE HA A 9 CYS H 1.0 . 2.4 71 70 A 8 PHE HBy A 9 CYS H 1.0 . 5.0 72 71 A 9 CYS HA A 8 PHE HD2 1.0 . 5.0 73 72 A 8 PHE HZ A 10 TYR HD1 1.0 . 3.5 74 73 A 8 PHE HZ A 10 TYR HE1 1.0 . 5.0 75 74 A 10 TYR HD1 A 8 PHE HE2 1.0 . 3.5 76 75 A 10 TYR HE1 A 8 PHE HE2 1.0 . 5.0 77 76 A 8 PHE HD2 A 10 TYR HD1 1.0 . 3.5 78 77 A 9 CYS HA A 9 CYS H 1.0 . 3.5 79 78 A 9 CYS H A 9 CYS HBy 1.0 . 3.5 80 79 A 9 CYS HBx A 9 CYS HA 1.0 . 3.5 81 80 A 9 CYS HA A 9 CYS HBy 1.0 . 3.5 82 81 A 10 TYR H A 9 CYS HA 1.0 . 2.4 83 82 A 9 CYS HA A 10 TYR HD1 1.0 . 3.5 84 83 A 9 CYS HBx A 10 TYR H 1.0 . 3.5 85 84 A 10 TYR H A 10 TYR HA 1.0 . 3.5 86 85 A 10 TYR H A 10 TYR HD1 1.0 . 5.0 87 86 A 10 TYR HA A 10 TYR HBx 1.0 . 3.5 88 87 A 10 TYR HA A 10 TYR HBy 1.0 . 3.5 89 88 A 10 TYR HD1 A 10 TYR HA 1.0 . 5.0 90 89 A 10 TYR HD2 A 10 TYR HA 1.0 . 0.0 91 90 A 10 TYR HD1 A 10 TYR HBx 1.0 . 3.5 92 91 A 10 TYR HD2 A 10 TYR HBy 1.0 . 3.5 93 92 A 3 CYS H A 10 TYR O 1.0 . 2.0 94 93 A 10 TYR O A 3 CYS N 1.0 . 3.0 95 94 A 10 TYR HE2 A 12 CYS HBx 1.0 . 3.5 96 95 A 11 HYP HA A 12 CYS H 1.0 . 2.4 97 96 A 12 CYS H A 12 CYS HA 1.0 . 3.5 98 97 A 12 CYS HA A 12 CYS HBy 1.0 . 3.5 99 98 A 12 CYS HBx A 12 CYS HA 1.0 . 3.5 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 3 CYS SG A 12 CYS SG 1.0 . 2.05 2 2 A 12 CYS CB A 3 CYS SG 1.0 . 3.05 3 3 A 3 CYS CB A 12 CYS SG 1.0 . 3.05 4 4 A 4 CYS SG A 9 CYS SG 1.0 . 2.05 5 5 A 9 CYS CB A 4 CYS SG 1.0 . 3.05 6 6 A 4 CYS CB A 9 CYS SG 1.0 . 3.05 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 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 GLY N A 1 GLY CA A 1 GLY C A 2 VAL N 1.0 90.0 150.0 PSI 2 2 A 1 GLY C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -150.0 -90.0 PHI 3 3 A 2 VAL N A 2 VAL CA A 2 VAL C A 3 CYS N 1.0 90.0 150.0 PSI 4 4 A 2 VAL N A 2 VAL CA A 2 VAL CB A 2 VAL CG1 1.0 30.0 90.0 CHI1 5 5 A 2 VAL C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -130.0 -100.0 PHI 6 6 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 CYS N 1.0 100.0 130.0 PSI 7 7 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 8 8 A 3 CYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -150.0 -90.0 PHI 9 9 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 GLY N 1.0 90.0 150.0 PSI 10 10 A 4 CYS N A 4 CYS CA A 4 CYS CB A 4 CYS SG 1.0 -90.0 -30.0 CHI1 11 11 A 4 CYS C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 -150.0 -90.0 PHI 12 12 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 VAL N 1.0 90.0 150.0 PSI 13 13 A 5 GLY C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 30.0 90.0 PHI 14 14 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 SER N 1.0 0.0 60.0 PSI 15 15 A 6 VAL N A 6 VAL CA A 6 VAL CB A 6 VAL CG1 1.0 150.0 210.0 CHI1 16 16 A 6 VAL C A 7 SER N A 7 SER CA A 7 SER C 1.0 30.0 90.0 PHI 17 17 A 7 SER N A 7 SER CA A 7 SER C A 8 PHE N 1.0 -30.0 30.0 PSI 18 18 A 7 SER N A 7 SER CA A 7 SER CB A 7 SER OG 1.0 -90.0 -50.0 CHI1 19 19 A 7 SER C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -160.0 -90.0 PHI 20 20 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 CYS N 1.0 90.0 150.0 PSI 21 21 A 8 PHE N A 8 PHE CA A 8 PHE CB A 8 PHE CG 1.0 30.0 90.0 CHI1 22 22 A 8 PHE C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -160.0 -60.0 PHI 23 23 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 TYR N 1.0 90.0 150.0 PSI 24 24 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 -90.0 -30.0 CHI1 25 25 A 9 CYS C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -150.0 -90.0 PHI 26 26 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 HYP N 1.0 90.0 150.0 PSI 27 27 A 10 TYR N A 10 TYR CA A 10 TYR CB A 10 TYR CG 1.0 30.0 90.0 CHI1 28 28 A 11 HYP C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -90.0 -30.0 PHI 29 29 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 -150.0 150.0 CHI1 stop_ save_