data_nef_c18619_2lwc 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_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 TYR start . . 2 A 2 GLY middle . false 3 A 3 GLY middle . false 4 A 4 PHE middle . . 5 A 5 MET end . . stop_ save_ save_assigned_chemical_shift_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shift_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 TYR HA H 1 4.192 0.005 A 1 TYR HB2 H 1 3.079 0.002 A 1 TYR HB3 H 1 3.079 0.002 A 1 TYR HDx H 1 7.104 0.006 A 1 TYR HDy H 1 7.104 0.006 A 1 TYR HEx H 1 6.813 0.004 A 1 TYR HEy H 1 6.813 0.004 A 2 GLY H H 1 8.544 0.000 A 2 GLY HA2 H 1 3.832 0.000 A 2 GLY HA3 H 1 3.832 0.000 A 3 GLY H H 1 7.933 0.002 A 3 GLY HA2 H 1 3.812 0.000 A 3 GLY HA3 H 1 3.812 0.000 A 4 PHE H H 1 7.993 0.002 A 4 PHE HA H 1 4.590 0.001 A 4 PHE HBy H 1 3.087 0.001 A 4 PHE HBx H 1 2.979 0.003 A 4 PHE HDx H 1 7.221 0.003 A 4 PHE HDy H 1 7.221 0.003 A 4 PHE HEx H 1 7.290 0.000 A 4 PHE HEy H 1 7.290 0.000 A 4 PHE HZ H 1 7.262 0.001 A 5 MET H H 1 8.134 0.000 A 5 MET HA H 1 4.323 0.002 A 5 MET HB2 H 1 1.888 0.005 A 5 MET HB3 H 1 1.888 0.005 A 5 MET HGy H 1 2.393 0.006 A 5 MET HGx H 1 2.009 0.009 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 1 TYR HA A 1 TYR HD% 1.0 1.8 3.60 2 2 A 1 TYR HA A 1 TYR HE% 1.0 1.8 5.60 3 3 A 1 TYR HA A 2 GLY H 1.0 1.8 3.40 4 4 A 1 TYR HA A 3 GLY H 1.0 1.8 4.50 5 5 A 1 TYR HA A 4 PHE HD% 1.0 1.8 7.00 6 6 A 2 GLY H A 1 TYR HB2 1.0 1.8 3.60 7 6 A 2 GLY H A 1 TYR HB3 1.0 1.8 3.60 8 7 A 3 GLY H A 1 TYR HB2 1.0 1.8 4.00 9 7 A 3 GLY H A 1 TYR HB3 1.0 1.8 4.00 10 8 A 4 PHE HZ A 1 TYR HB2 1.0 1.8 5.00 11 8 A 1 TYR HB3 A 4 PHE HZ 1.0 1.8 5.00 12 9 A 1 TYR HD% A 2 GLY H 1.0 1.8 7.00 13 10 A 1 TYR HD% A 2 GLY HA2 1.0 1.8 8.00 14 11 A 1 TYR HD% A 3 GLY H 1.0 1.8 7.00 15 12 A 1 TYR HE% A 2 GLY H 1.0 1.8 7.00 16 13 A 1 TYR HE% A 3 GLY H 1.0 1.8 7.00 17 14 A 1 TYR HE% A 3 GLY HA3 1.0 1.8 8.00 18 15 A 1 TYR HE% A 4 PHE H 1.0 1.8 7.00 19 16 A 2 GLY H A 2 GLY HA2 1.0 1.8 2.60 20 17 A 2 GLY H A 3 GLY H 1.0 1.8 3.50 21 18 A 2 GLY H A 3 GLY HA3 1.0 1.8 5.20 22 19 A 2 GLY H A 4 PHE HE% 1.0 1.8 7.00 23 20 A 3 GLY H A 2 GLY HA2 1.0 1.8 3.20 24 21 A 2 GLY HA2 A 4 PHE H 1.0 1.8 4.80 25 22 A 2 GLY HA2 A 4 PHE HE% 1.0 1.8 8.00 26 23 A 2 GLY HA2 A 5 MET H 1.0 1.8 5.80 27 24 A 3 GLY H A 4 PHE HD% 1.0 1.8 7.00 28 25 A 3 GLY H A 4 PHE HE% 1.0 1.8 7.00 29 26 A 3 GLY H A 4 PHE HZ 1.0 1.8 5.00 30 27 A 3 GLY H A 5 MET HGy 1.0 1.8 5.88 31 27 A 3 GLY H A 5 MET HGx 1.0 1.8 5.88 32 28 A 3 GLY HA3 A 4 PHE H 1.0 1.8 3.20 33 29 A 4 PHE HD% A 3 GLY HA3 1.0 1.8 8.00 34 30 A 3 GLY HA3 A 5 MET H 1.0 1.8 5.30 35 31 A 4 PHE H A 4 PHE HA 1.0 1.8 2.90 36 32 A 4 PHE H A 4 PHE HBy 1.0 1.8 3.90 37 33 A 4 PHE H A 4 PHE HBx 1.0 1.8 3.90 38 34 A 4 PHE HD% A 4 PHE H 1.0 1.8 4.40 39 35 A 4 PHE H A 4 PHE HE% 1.0 1.8 6.00 40 36 A 4 PHE HZ A 4 PHE H 1.0 1.8 4.80 41 37 A 4 PHE H A 5 MET H 1.0 1.8 3.80 42 38 A 4 PHE H A 5 MET HB2 1.0 1.8 6.00 43 38 A 4 PHE H A 5 MET HB3 1.0 1.8 6.00 44 39 A 4 PHE H A 5 MET HGy 1.0 1.8 5.00 45 40 A 4 PHE H A 5 MET HGx 1.0 1.8 5.00 46 41 A 4 PHE H A 5 MET HGy 1.0 1.8 4.72 47 41 A 4 PHE H A 5 MET HGx 1.0 1.8 4.72 48 42 A 4 PHE HE% A 4 PHE HA 1.0 1.8 5.90 49 43 A 5 MET H A 4 PHE HA 1.0 1.8 3.60 50 44 A 5 MET H A 4 PHE HBy 1.0 1.8 4.50 51 45 A 5 MET H A 4 PHE HBx 1.0 1.8 4.50 52 46 A 5 MET H A 4 PHE HBx 1.0 1.8 4.31 53 46 A 5 MET H A 4 PHE HBy 1.0 1.8 4.31 54 47 A 4 PHE HD% A 5 MET H 1.0 1.8 7.00 55 48 A 4 PHE HD% A 5 MET HA 1.0 1.8 7.00 56 49 A 4 PHE HD% A 5 MET HB2 1.0 1.8 8.00 57 49 A 4 PHE HD% A 5 MET HB3 1.0 1.8 8.00 58 50 A 4 PHE HD% A 5 MET HGy 1.0 1.8 7.00 59 51 A 4 PHE HD% A 5 MET HGx 1.0 1.8 7.00 60 52 A 4 PHE HD% A 5 MET HGy 1.0 1.8 6.65 61 52 A 4 PHE HD% A 5 MET HGx 1.0 1.8 6.65 62 53 A 4 PHE HE% A 5 MET H 1.0 1.8 7.00 63 54 A 4 PHE HE% A 5 MET HA 1.0 1.8 7.00 64 55 A 4 PHE HE% A 5 MET HGy 1.0 1.8 7.00 65 56 A 4 PHE HE% A 5 MET HGx 1.0 1.8 7.00 66 57 A 4 PHE HZ A 5 MET H 1.0 1.8 5.00 67 58 A 4 PHE HZ A 5 MET HB2 1.0 1.8 6.00 68 58 A 4 PHE HZ A 5 MET HB3 1.0 1.8 6.00 69 59 A 4 PHE HZ A 5 MET HGy 1.0 1.8 5.00 70 60 A 4 PHE HZ A 5 MET HGx 1.0 1.8 5.00 71 61 A 5 MET H A 5 MET HA 1.0 1.8 2.80 72 62 A 5 MET H A 5 MET HB2 1.0 1.8 3.80 73 62 A 5 MET H A 5 MET HB3 1.0 1.8 3.80 74 63 A 5 MET H A 5 MET HGy 1.0 1.8 4.50 75 64 A 5 MET H A 5 MET HGx 1.0 1.8 4.50 76 65 A 5 MET H A 5 MET HGy 1.0 1.8 3.76 77 65 A 5 MET H A 5 MET HGx 1.0 1.8 3.76 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 3 GLY C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -170.0 -70.0 PHI 2 2 A 4 PHE C A 5 MET N A 5 MET CA A 5 MET C 1.0 -170.0 -70.0 PHI stop_ save_