data_nef_c34203_6f27 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 6F27 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 LYS start . . 2 A 2 ARG middle . . 3 A 3 PRO middle . false 4 A 4 PRO middle . false 5 A 5 GLY middle . false 6 A 6 PHE middle . . 7 A 7 SER middle . . 8 A 8 PRO middle . false 9 A 9 PHE 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 LYS HA H 1 3.94 0.02 A 1 LYS HBx H 1 1.79 0.02 A 1 LYS HBy H 1 1.79 0.02 A 1 LYS HDx H 1 1.60 0.02 A 1 LYS HDy H 1 1.60 0.02 A 1 LYS HEx H 1 2.90 0.02 A 1 LYS HEy H 1 2.90 0.02 A 1 LYS HGx H 1 1.34 0.02 A 1 LYS HGy H 1 1.34 0.02 A 1 LYS C C 13 172.35 0.10 A 1 LYS CA C 13 55.54 0.10 A 1 LYS CB C 13 33.20 0.10 A 1 LYS CD C 13 29.13 0.10 A 1 LYS CE C 13 41.90 0.10 A 1 LYS CG C 13 23.79 0.10 A 2 ARG H H 1 8.66 0.02 A 2 ARG HA H 1 4.50 0.02 A 2 ARG HBx H 1 1.62 0.02 A 2 ARG HBy H 1 1.62 0.02 A 2 ARG HDx H 1 2.91 0.02 A 2 ARG HDy H 1 2.98 0.02 A 2 ARG HE H 1 7.01 0.02 A 2 ARG HGx H 1 1.54 0.02 A 2 ARG HGy H 1 1.54 0.02 A 2 ARG C C 13 173.33 0.10 A 2 ARG CA C 13 54.20 0.10 A 2 ARG CB C 13 30.00 0.10 A 2 ARG CD C 13 43.27 0.10 A 2 ARG CG C 13 26.68 0.10 A 2 ARG N N 15 125.23 0.05 A 2 ARG NE N 15 84.66 0.05 A 3 PRO HBx H 1 1.79 0.02 A 3 PRO HBy H 1 2.28 0.02 A 3 PRO HDx H 1 3.39 0.02 A 3 PRO HDy H 1 3.74 0.02 A 3 PRO HGx H 1 1.92 0.02 A 3 PRO HGy H 1 1.92 0.02 A 3 PRO C C 13 174.38 0.10 A 3 PRO CB C 13 30.70 0.10 A 3 PRO CD C 13 50.61 0.10 A 3 PRO CG C 13 27.34 0.10 A 4 PRO HA H 1 4.30 0.02 A 4 PRO HBx H 1 1.80 0.02 A 4 PRO HBy H 1 2.19 0.02 A 4 PRO HDx H 1 3.56 0.02 A 4 PRO HDy H 1 3.71 0.02 A 4 PRO HGx H 1 1.94 0.02 A 4 PRO HGy H 1 1.94 0.02 A 4 PRO C C 13 177.40 0.10 A 4 PRO CA C 13 63.33 0.10 A 4 PRO CB C 13 31.91 0.10 A 4 PRO CD C 13 50.40 0.10 A 4 PRO CG C 13 27.38 0.10 A 5 GLY H H 1 8.35 0.02 A 5 GLY HAx H 1 3.74 0.02 A 5 GLY HAy H 1 3.84 0.02 A 5 GLY C C 13 173.67 0.10 A 5 GLY CA C 13 45.01 0.10 A 5 GLY N N 15 109.11 0.05 A 6 PHE H H 1 7.89 0.02 A 6 PHE HA H 1 4.45 0.02 A 6 PHE HBx H 1 2.94 0.02 A 6 PHE HBy H 1 2.94 0.02 A 6 PHE HDx H 1 7.11 0.02 A 6 PHE HDy H 1 7.11 0.02 A 6 PHE HEx H 1 7.22 0.02 A 6 PHE HEy H 1 7.22 0.02 A 6 PHE C C 13 175.25 0.10 A 6 PHE CA C 13 57.87 0.10 A 6 PHE CB C 13 39.80 0.10 A 6 PHE CDx C 13 131.79 0.10 A 6 PHE CDy C 13 131.79 0.10 A 6 PHE CEx C 13 131.35 0.10 A 6 PHE CEy C 13 131.35 0.10 A 6 PHE N N 15 120.24 0.05 A 7 SER H H 1 8.04 0.02 A 7 SER HA H 1 4.54 0.02 A 7 SER HBx H 1 3.61 0.02 A 7 SER HBy H 1 3.61 0.02 A 7 SER C C 13 172.35 0.10 A 7 SER CA C 13 55.54 0.10 A 7 SER CB C 13 63.70 0.10 A 7 SER N N 15 119.80 0.05 A 8 PRO HA H 1 4.20 0.02 A 8 PRO HBx H 1 1.71 0.02 A 8 PRO HBy H 1 2.04 0.02 A 8 PRO HDx H 1 3.46 0.02 A 8 PRO HDy H 1 3.46 0.02 A 8 PRO HGx H 1 1.60 0.02 A 8 PRO HGy H 1 1.80 0.02 A 8 PRO C C 13 175.29 0.10 A 8 PRO CA C 13 63.37 0.10 A 8 PRO CB C 13 31.72 0.10 A 8 PRO CD C 13 50.58 0.10 A 8 PRO CG C 13 26.72 0.10 A 9 PHE H H 1 7.33 0.02 A 9 PHE HA H 1 4.32 0.02 A 9 PHE HBx H 1 2.84 0.02 A 9 PHE HBy H 1 3.04 0.02 A 9 PHE HDx H 1 7.13 0.02 A 9 PHE HDy H 1 7.13 0.02 A 9 PHE HEx H 1 7.24 0.02 A 9 PHE HEy H 1 7.24 0.02 A 9 PHE C C 13 180.03 0.10 A 9 PHE CA C 13 58.65 0.10 A 9 PHE CB C 13 40.16 0.10 A 9 PHE CDx C 13 131.95 0.10 A 9 PHE CDy C 13 131.95 0.10 A 9 PHE CEx C 13 131.27 0.10 A 9 PHE CEy C 13 131.27 0.10 A 9 PHE N N 15 123.46 0.05 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 LYS HA A 1 LYS HBx 1.0 1.58 2.74 2 1 A 1 LYS HA A 1 LYS HBy 1.0 1.58 2.74 3 2 A 1 LYS HA A 1 LYS HGx 1.0 1.84 3.86 4 2 A 1 LYS HA A 1 LYS HGy 1.0 1.84 3.86 5 3 A 1 LYS HA A 1 LYS HDx 1.0 1.96 4.82 6 3 A 1 LYS HA A 1 LYS HDy 1.0 1.96 4.82 7 4 A 1 LYS HA A 1 LYS HEx 1.0 1.98 5.34 8 4 A 1 LYS HA A 1 LYS HEy 1.0 1.98 5.34 9 5 A 1 LYS HBx A 1 LYS HEx 1.0 1.88 4.18 10 5 A 1 LYS HBy A 1 LYS HEx 1.0 1.88 4.18 11 5 A 1 LYS HEy A 1 LYS HBx 1.0 1.88 4.18 12 5 A 1 LYS HBy A 1 LYS HEy 1.0 1.88 4.18 13 6 A 1 LYS HEx A 1 LYS HGx 1.0 1.81 3.69 14 6 A 1 LYS HEy A 1 LYS HGx 1.0 1.81 3.69 15 6 A 1 LYS HGy A 1 LYS HEx 1.0 1.81 3.69 16 6 A 1 LYS HGy A 1 LYS HEy 1.0 1.81 3.69 17 7 A 2 ARG H A 2 ARG HA 1.0 1.90 4.34 18 8 A 2 ARG H A 2 ARG HBx 1.0 1.83 3.85 19 8 A 2 ARG H A 2 ARG HBy 1.0 1.83 3.85 20 9 A 2 ARG H A 2 ARG HGx 1.0 1.87 4.13 21 9 A 2 ARG H A 2 ARG HGy 1.0 1.87 4.13 22 10 A 2 ARG HA A 2 ARG HBx 1.0 1.83 3.85 23 10 A 2 ARG HA A 2 ARG HBy 1.0 1.83 3.85 24 11 A 2 ARG HA A 2 ARG HGx 1.0 1.86 4.04 25 11 A 2 ARG HA A 2 ARG HGy 1.0 1.86 4.04 26 12 A 2 ARG HE A 2 ARG HBx 1.0 1.94 4.76 27 12 A 2 ARG HBy A 2 ARG HE 1.0 1.94 4.76 28 13 A 2 ARG HDy A 2 ARG HGx 1.0 1.61 2.85 29 13 A 2 ARG HGy A 2 ARG HDy 1.0 1.61 2.85 30 14 A 2 ARG HE A 2 ARG HGx 1.0 1.86 4.00 31 14 A 2 ARG HGy A 2 ARG HE 1.0 1.86 4.00 32 15 A 2 ARG HE A 2 ARG HDy 1.0 1.89 4.27 33 16 A 2 ARG HE A 2 ARG HDx 1.0 1.91 4.45 34 17 A 3 PRO HBy A 3 PRO HDy 1.0 1.99 5.39 35 18 A 3 PRO HDy A 3 PRO HGx 1.0 1.59 2.79 36 18 A 3 PRO HDy A 3 PRO HGy 1.0 1.59 2.79 37 19 A 4 PRO HA A 4 PRO HBy 1.0 1.49 2.49 38 20 A 4 PRO HA A 4 PRO HBx 1.0 1.79 3.63 39 21 A 4 PRO HA A 4 PRO HGx 1.0 1.88 4.16 40 21 A 4 PRO HA A 4 PRO HGy 1.0 1.88 4.16 41 22 A 4 PRO HA A 4 PRO HDy 1.0 1.92 4.44 42 23 A 4 PRO HBy A 4 PRO HDy 1.0 1.96 4.86 43 24 A 4 PRO HDy A 4 PRO HGx 1.0 1.62 2.90 44 24 A 4 PRO HGy A 4 PRO HDy 1.0 1.62 2.90 45 25 A 4 PRO HDx A 4 PRO HGx 1.0 1.76 3.48 46 25 A 4 PRO HGy A 4 PRO HDx 1.0 1.76 3.48 47 26 A 5 GLY HAy A 5 GLY H 1.0 1.67 3.05 48 27 A 5 GLY H A 5 GLY HAx 1.0 1.62 2.90 49 28 A 6 PHE H A 6 PHE HA 1.0 1.61 2.87 50 29 A 6 PHE H A 6 PHE HBx 1.0 1.65 3.03 51 29 A 6 PHE H A 6 PHE HBy 1.0 1.65 3.03 52 30 A 6 PHE H A 6 PHE HD% 1.0 1.75 3.45 53 31 A 6 PHE HA A 6 PHE HBx 1.0 1.78 3.56 54 31 A 6 PHE HA A 6 PHE HBy 1.0 1.78 3.56 55 32 A 6 PHE HA A 6 PHE HD% 1.0 1.43 2.31 56 33 A 6 PHE HD% A 6 PHE HBx 1.0 1.38 2.20 57 33 A 6 PHE HBy A 6 PHE HD% 1.0 1.38 2.20 58 34 A 7 SER H A 7 SER HA 1.0 1.63 2.93 59 35 A 7 SER H A 7 SER HBx 1.0 1.70 3.18 60 35 A 7 SER H A 7 SER HBy 1.0 1.70 3.18 61 36 A 7 SER HA A 7 SER HBx 1.0 1.70 3.20 62 36 A 7 SER HA A 7 SER HBy 1.0 1.70 3.20 63 37 A 8 PRO HA A 8 PRO HBy 1.0 1.50 2.50 64 38 A 8 PRO HA A 8 PRO HBx 1.0 1.79 3.63 65 39 A 8 PRO HA A 8 PRO HGy 1.0 1.97 4.97 66 40 A 8 PRO HA A 8 PRO HDx 1.0 1.94 4.62 67 40 A 8 PRO HA A 8 PRO HDy 1.0 1.94 4.62 68 41 A 9 PHE H A 9 PHE HBy 1.0 1.96 4.94 69 42 A 9 PHE H A 9 PHE HBx 1.0 1.80 3.66 70 43 A 9 PHE H A 9 PHE HD% 1.0 1.72 3.28 71 44 A 9 PHE HBy A 9 PHE HA 1.0 1.61 2.87 72 45 A 9 PHE HD% A 9 PHE HA 1.0 1.50 2.50 73 46 A 9 PHE HA A 9 PHE HE% 1.0 1.88 4.14 74 47 A 9 PHE HBy A 9 PHE HD% 1.0 1.54 2.60 75 48 A 9 PHE HBx A 9 PHE HD% 1.0 1.47 2.41 76 49 A 1 LYS HA A 2 ARG H 1.0 1.60 2.84 77 50 A 2 ARG H A 1 LYS HBx 1.0 1.93 4.55 78 50 A 1 LYS HBy A 2 ARG H 1.0 1.93 4.55 79 51 A 2 ARG HA A 3 PRO HDy 1.0 1.67 3.05 80 52 A 2 ARG HA A 3 PRO HDx 1.0 1.85 3.95 81 53 A 3 PRO HBy A 4 PRO HDx 1.0 1.88 4.16 82 54 A 4 PRO HDx A 3 PRO HBx 1.0 1.87 4.11 83 55 A 4 PRO HA A 5 GLY H 1.0 1.53 2.61 84 56 A 4 PRO HBy A 5 GLY H 1.0 2.00 5.90 85 57 A 4 PRO HBx A 5 GLY H 1.0 1.94 4.66 86 58 A 5 GLY H A 4 PRO HGx 1.0 2.00 6.36 87 58 A 4 PRO HGy A 5 GLY H 1.0 2.00 6.36 88 59 A 4 PRO HDx A 5 GLY H 1.0 1.99 5.67 89 60 A 5 GLY H A 6 PHE H 1.0 1.92 4.54 90 61 A 5 GLY HAy A 6 PHE H 1.0 1.73 3.31 91 62 A 5 GLY HAx A 6 PHE H 1.0 1.72 3.30 92 63 A 6 PHE H A 7 SER H 1.0 1.99 6.49 93 64 A 6 PHE HA A 7 SER H 1.0 1.50 2.48 94 65 A 7 SER H A 6 PHE HBx 1.0 1.88 4.14 95 65 A 6 PHE HBy A 7 SER H 1.0 1.88 4.14 96 66 A 6 PHE HD% A 7 SER H 1.0 1.94 4.64 97 67 A 7 SER HA A 8 PRO HA 1.0 1.99 5.41 98 68 A 7 SER HA A 8 PRO HDx 1.0 1.81 3.73 99 68 A 7 SER HA A 8 PRO HDy 1.0 1.81 3.73 100 69 A 8 PRO HA A 9 PHE H 1.0 1.59 2.77 101 70 A 8 PRO HBx A 9 PHE H 1.0 1.98 5.20 102 71 A 9 PHE H A 8 PRO HGx 1.0 2.00 5.56 103 72 A 9 PHE H A 8 PRO HDx 1.0 1.90 4.34 104 72 A 8 PRO HDy A 9 PHE H 1.0 1.90 4.34 105 73 A 9 PHE H A 7 SER HBx 1.0 1.95 4.83 106 73 A 7 SER HBy A 9 PHE H 1.0 1.95 4.83 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 1 LYS C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -90.0 -50.0 PHI 2 2 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 PRO N 1.0 111.0 161.0 PSI 3 3 A 2 ARG C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -81.0 -41.0 PHI 4 4 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 PRO N 1.0 130.0 170.0 PSI 5 5 A 3 PRO C A 4 PRO N A 4 PRO CA A 4 PRO C 1.0 -74.0 -34.0 PHI 6 6 A 4 PRO N A 4 PRO CA A 4 PRO C A 5 GLY N 1.0 113.0 153.0 PSI 7 7 A 4 PRO C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 65.0 105.0 PHI 8 8 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 PHE N 1.0 -20.0 20.0 PSI 9 9 A 5 GLY C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -124.0 -52.0 PHI 10 10 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 SER N 1.0 112.0 152.0 PSI 11 11 A 6 PHE C A 7 SER N A 7 SER CA A 7 SER C 1.0 -122.0 -42.0 PHI 12 12 A 7 SER N A 7 SER CA A 7 SER C A 8 PRO N 1.0 109.0 165.0 PSI 13 13 A 7 SER C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -81.0 -41.0 PHI 14 14 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 PHE N 1.0 124.0 164.0 PSI stop_ save_