data_nef_c30152_5l34 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 5L34 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 1 CYS SG 1 7 CYS SG 1 2 ARG C 1 3 DTR N 1 3 DTR C 1 4 THR N 1 7 CYS C 1 8 NH2 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 CYS start -HG . 2 A 2 ARG middle -OXT . 3 A 3 DTR middle -HN2,-OXT . 4 A 4 THR middle -H2 . 5 A 5 PRO middle . false 6 A 6 VAL middle . . 7 A 7 CYS middle -HG,-OXT . 8 A 8 NH2 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 CYS HA H 1 4.332 0.000 A 1 CYS HBx H 1 3.220 0.013 A 1 CYS HBy H 1 3.267 0.001 A 1 CYS CA C 13 54.766 0.000 A 1 CYS CB C 13 40.867 0.000 A 2 ARG H H 1 8.877 0.002 A 2 ARG HA H 1 4.519 0.005 A 2 ARG HBx H 1 1.339 0.005 A 2 ARG HBy H 1 1.425 0.002 A 2 ARG HDx H 1 2.796 0.002 A 2 ARG HDy H 1 2.882 0.003 A 2 ARG HE H 1 6.896 0.004 A 2 ARG HG3 H 1 0.993 0.005 A 2 ARG CA C 13 55.454 0.000 A 2 ARG CB C 13 31.537 0.021 A 2 ARG CD C 13 43.264 0.005 A 2 ARG CG C 13 26.010 0.000 A 2 ARG N N 15 122.434 0.000 A 3 DTR H H 1 8.615 0.003 A 3 DTR HA H 1 4.821 0.005 A 3 DTR HBx H 1 3.215 0.002 A 3 DTR HBy H 1 3.411 0.006 A 3 DTR HD1 H 1 7.331 0.003 A 3 DTR HE1 H 1 10.214 0.004 A 3 DTR HE3 H 1 7.613 0.004 A 3 DTR HH2 H 1 7.227 0.003 A 3 DTR HZ2 H 1 7.469 0.004 A 3 DTR HZ3 H 1 7.144 0.006 A 3 DTR CA C 13 57.078 0.000 A 3 DTR CB C 13 29.230 0.022 A 3 DTR CD1 C 13 127.386 0.000 A 3 DTR CE3 C 13 120.892 0.000 A 3 DTR CH2 C 13 124.669 0.000 A 3 DTR CZ2 C 13 114.524 0.000 A 3 DTR CZ3 C 13 121.858 0.000 A 3 DTR N N 15 123.691 0.000 A 3 DTR NE1 N 15 129.402 0.000 A 4 THR H H 1 7.221 0.006 A 4 THR HA H 1 4.668 0.007 A 4 THR HB H 1 4.399 0.005 A 4 THR HG2% H 1 1.133 0.005 A 4 THR CA C 13 58.653 0.000 A 4 THR CB C 13 69.530 0.000 A 4 THR CG2 C 13 21.323 0.000 A 4 THR N N 15 113.624 0.000 A 5 PRO HA H 1 4.233 0.002 A 5 PRO HBy H 1 2.383 0.004 A 5 PRO HBx H 1 1.985 0.004 A 5 PRO HDy H 1 3.849 0.005 A 5 PRO HDx H 1 3.716 0.004 A 5 PRO HG3 H 1 2.064 0.002 A 5 PRO CA C 13 64.729 0.000 A 5 PRO CB C 13 32.033 0.008 A 5 PRO CD C 13 51.056 0.021 A 5 PRO CG C 13 27.425 0.000 A 6 VAL H H 1 7.447 0.003 A 6 VAL HA H 1 4.184 0.002 A 6 VAL HB H 1 2.074 0.003 A 6 VAL HGx% H 1 0.895 0.005 A 6 VAL HGy% H 1 0.889 0.000 A 6 VAL CA C 13 61.829 0.000 A 6 VAL CB C 13 32.677 0.000 A 6 VAL CGy C 13 21.252 0.000 A 6 VAL CGx C 13 20.189 0.000 A 6 VAL N N 15 114.598 0.000 A 7 CYS H H 1 8.271 0.004 A 7 CYS HA H 1 4.572 0.003 A 7 CYS HBx H 1 2.965 0.003 A 7 CYS HBy H 1 3.163 0.008 A 7 CYS CA C 13 55.549 0.000 A 7 CYS CB C 13 40.036 0.028 A 7 CYS N N 15 121.460 0.000 A 8 NH2 HN1 H 1 7.411 0.001 A 8 NH2 HN2 H 1 7.535 0.004 A 8 NH2 N N 15 108.052 0.002 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 3 DTR HA A 3 DTR HD1 1.0 . 4.56 2 2 A 3 DTR HD1 A 2 ARG HA 1.0 . 4.88 3 3 A 4 THR HB A 6 VAL H 1.0 . 4.57 4 4 A 3 DTR HH2 A 5 PRO HA 1.0 . 4.64 5 5 A 3 DTR HZ3 A 4 THR HA 1.0 . 4.90 6 6 A 2 ARG HA A 3 DTR H 1.0 . 2.72 7 7 A 3 DTR HD1 A 3 DTR HBx 1.0 . 3.83 8 8 A 3 DTR HD1 A 3 DTR HBy 1.0 . 3.31 9 9 A 3 DTR HBx A 3 DTR HE3 1.0 . 3.82 10 10 A 2 ARG HDx A 3 DTR HZ2 1.0 . 4.98 11 11 A 3 DTR H A 3 DTR HBy 1.0 . 3.83 12 12 A 2 ARG H A 1 CYS HBx 1.0 . 3.85 13 13 A 6 VAL HB A 7 CYS H 1.0 . 4.25 14 14 A 2 ARG HDy A 3 DTR HE1 1.0 . 5.06 15 15 A 2 ARG HDx A 3 DTR HE1 1.0 . 4.73 16 16 A 2 ARG H A 2 ARG HBx 1.0 . 3.98 17 17 A 2 ARG H A 2 ARG HBy 1.0 . 3.98 18 18 A 3 DTR H A 2 ARG HBx 1.0 . 4.64 19 19 A 3 DTR H A 2 ARG HBy 1.0 . 4.64 20 20 A 7 CYS H A 6 VAL HGx% 1.0 . 4.02 21 21 A 7 CYS H A 4 THR HG2% 1.0 . 5.03 22 22 A 6 VAL H A 4 THR HG2% 1.0 . 4.40 23 23 A 4 THR HG2% A 4 THR H 1.0 . 4.10 24 24 A 6 VAL H A 6 VAL HGx% 1.0 . 3.23 25 25 A 2 ARG HE A 2 ARG HBx 1.0 . 4.54 26 26 A 2 ARG HE A 2 ARG HBy 1.0 . 4.54 27 27 A 3 DTR HD1 A 2 ARG HBx 1.0 . 5.42 28 28 A 6 VAL H A 6 VAL HB 1.0 . 3.48 29 29 A 3 DTR HD1 A 3 DTR H 1.0 . 3.95 30 30 A 3 DTR H A 4 THR H 1.0 . 3.81 31 31 A 3 DTR H A 3 DTR HE3 1.0 . 4.88 32 32 A 6 VAL H A 7 CYS H 1.0 . 4.17 33 33 A 3 DTR HD1 A 2 ARG HE 1.0 . 4.69 34 34 A 4 THR HA A 4 THR HG2% 1.0 . 3.30 35 35 A 6 VAL HA A 6 VAL HGy% 1.0 . 2.72 36 36 A 2 ARG HDy A 2 ARG HBy 1.0 . 4.03 37 37 A 2 ARG HDy A 2 ARG HBx 1.0 . 4.03 38 38 A 2 ARG HDx A 2 ARG HBx 1.0 . 4.12 39 39 A 2 ARG HDx A 2 ARG HBy 1.0 . 4.12 40 40 A 2 ARG HDx A 2 ARG H 1.0 . 5.50 41 41 A 2 ARG HA A 2 ARG HE 1.0 . 5.31 42 42 A 2 ARG H A 2 ARG HE 1.0 . 5.50 43 43 A 2 ARG HA A 2 ARG HDx 1.0 . 5.21 44 44 A 2 ARG HA A 2 ARG HDy 1.0 . 5.02 45 45 A 3 DTR H A 2 ARG H 1.0 . 4.82 46 46 A 2 ARG H A 1 CYS HBy 1.0 . 3.85 47 47 A 3 DTR HE1 A 2 ARG HE 1.0 . 5.13 48 48 A 5 PRO HA A 3 DTR HZ3 1.0 . 5.41 49 49 A 3 DTR H A 4 THR HG2% 1.0 . 5.50 50 50 A 3 DTR HD1 A 2 ARG HBy 1.0 . 5.42 51 51 A 3 DTR HE3 A 4 THR HG2% 1.0 . 5.34 52 52 A 6 VAL HGx% A 7 CYS HA 1.0 . 4.27 53 53 A 2 ARG H A 1 CYS HBy 1.0 . 3.35 54 53 A 2 ARG H A 1 CYS HBx 1.0 . 3.35 55 54 A 2 ARG H A 2 ARG HBy 1.0 . 3.48 56 54 A 2 ARG H A 2 ARG HBx 1.0 . 3.48 57 55 A 2 ARG H A 2 ARG HGx 1.0 . 4.47 58 55 A 2 ARG H A 2 ARG HG3 1.0 . 4.47 59 56 A 2 ARG HDx A 2 ARG HBy 1.0 . 3.55 60 56 A 2 ARG HDx A 2 ARG HBx 1.0 . 3.55 61 57 A 2 ARG HDy A 2 ARG HBy 1.0 . 3.48 62 57 A 2 ARG HDy A 2 ARG HBx 1.0 . 3.48 63 58 A 3 DTR H A 2 ARG HBy 1.0 . 3.92 64 58 A 3 DTR H A 2 ARG HBx 1.0 . 3.92 65 59 A 3 DTR HD1 A 2 ARG HBy 1.0 . 4.65 66 59 A 3 DTR HD1 A 2 ARG HBx 1.0 . 4.65 67 60 A 3 DTR H A 2 ARG HGx 1.0 . 4.27 68 60 A 3 DTR H A 2 ARG HG3 1.0 . 4.27 69 61 A 3 DTR HD1 A 2 ARG HGx 1.0 . 4.39 70 61 A 3 DTR HD1 A 2 ARG HG3 1.0 . 4.39 71 62 A 3 DTR HE1 A 2 ARG HGx 1.0 . 5.27 72 62 A 3 DTR HE1 A 2 ARG HG3 1.0 . 5.27 73 63 A 3 DTR HE3 A 5 PRO HDy 1.0 . 4.99 74 63 A 3 DTR HE3 A 5 PRO HDx 1.0 . 4.99 75 64 A 3 DTR HZ3 A 5 PRO HBy 1.0 . 5.18 76 64 A 3 DTR HZ3 A 5 PRO HBx 1.0 . 5.18 77 65 A 3 DTR HZ3 A 5 PRO HDy 1.0 . 4.19 78 65 A 3 DTR HZ3 A 5 PRO HDx 1.0 . 4.19 79 66 A 3 DTR HH2 A 5 PRO HBy 1.0 . 4.35 80 66 A 3 DTR HH2 A 5 PRO HBx 1.0 . 4.35 81 67 A 3 DTR HH2 A 5 PRO HDy 1.0 . 5.30 82 67 A 3 DTR HH2 A 5 PRO HDx 1.0 . 5.30 83 68 A 4 THR H A 5 PRO HDy 1.0 . 5.35 84 68 A 4 THR H A 5 PRO HDx 1.0 . 5.35 85 69 A 4 THR HA A 5 PRO HDy 1.0 . 3.23 86 69 A 4 THR HA A 5 PRO HDx 1.0 . 3.23 87 70 A 4 THR HB A 5 PRO HDy 1.0 . 3.80 88 70 A 4 THR HB A 5 PRO HDx 1.0 . 3.80 89 71 A 6 VAL H A 5 PRO HBy 1.0 . 3.89 90 71 A 6 VAL H A 5 PRO HBx 1.0 . 3.89 91 72 A 6 VAL H A 5 PRO HDy 1.0 . 4.07 92 72 A 6 VAL H A 5 PRO HDx 1.0 . 4.07 93 73 A 7 CYS H A 7 CYS HBx 1.0 . 3.31 94 73 A 7 CYS H A 7 CYS HBy 1.0 . 3.31 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 CYS C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -80.0 200.0 PHI 2 2 A 5 PRO C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -80.0 200.0 PHI stop_ save_