data_nef_c19663_2mi1 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 2MI1 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 3 CYS SG 1 14 CYS SG 1 3 CYS SG 1 14 CYS SG 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 ALA start . . 2 A 2 GLY middle . false 3 A 3 CYS middle -HG . 4 A 4 LYS middle . . 5 A 5 ASN middle . . 6 A 6 PHE middle . . 7 A 7 PHE middle . . 8 A 8 TRP middle . . 9 A 9 LYS middle . . 10 A 10 THR middle . . 11 A 11 PHE middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 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 ALA H1 H 1 8.047 0.000 A 1 ALA HA H 1 3.844 0.000 A 1 ALA HB% H 1 1.359 0.000 A 2 GLY H H 1 8.057 0.000 A 2 GLY HAx H 1 4.098 0.000 A 2 GLY HAy H 1 4.098 0.000 A 3 CYS H H 1 8.147 0.004 A 3 CYS HA H 1 4.715 0.011 A 3 CYS HBy H 1 3.423 0.000 A 3 CYS HBx H 1 2.954 0.000 A 4 LYS H H 1 8.319 0.000 A 4 LYS HA H 1 4.428 0.004 A 4 LYS HBx H 1 1.875 0.010 A 4 LYS HEx H 1 2.614 0.000 A 4 LYS HEy H 1 3.200 0.000 A 4 LYS HGx H 1 1.382 0.000 A 4 LYS HGy H 1 1.564 0.002 A 4 LYS HZ1 H 1 7.635 0.000 A 4 LYS HZ2 H 1 7.635 0.000 A 4 LYS HZ3 H 1 7.635 0.000 A 5 ASN H H 1 8.203 0.005 A 5 ASN HA H 1 4.803 0.003 A 5 ASN HBy H 1 2.902 0.008 A 5 ASN HBx H 1 2.432 0.000 A 6 PHE H H 1 8.461 0.000 A 6 PHE HA H 1 4.708 0.001 A 6 PHE HBy H 1 2.918 0.000 A 6 PHE HBx H 1 2.671 0.000 A 7 PHE H H 1 8.458 0.000 A 7 PHE HA H 1 4.817 0.000 A 7 PHE HBy H 1 2.900 0.000 A 7 PHE HBx H 1 2.671 0.000 A 8 TRP H H 1 8.053 0.000 A 8 TRP HA H 1 4.551 0.001 A 8 TRP HBx H 1 2.923 0.012 A 8 TRP HBy H 1 3.017 0.002 A 8 TRP HD1 H 1 7.365 0.008 A 8 TRP HE1 H 1 10.197 0.000 A 8 TRP HE3 H 1 7.237 0.006 A 8 TRP HH2 H 1 6.953 0.001 A 8 TRP HZ2 H 1 7.495 0.004 A 8 TRP HZ3 H 1 7.548 0.001 A 9 LYS H H 1 7.754 0.000 A 9 LYS HA H 1 4.394 0.000 A 9 LYS HBx H 1 1.766 0.010 A 9 LYS HEx H 1 2.751 0.000 A 9 LYS HEy H 1 2.751 0.000 A 9 LYS HGy H 1 1.471 0.000 A 9 LYS HGx H 1 1.335 0.005 A 10 THR H H 1 7.853 0.004 A 10 THR HA H 1 4.421 0.000 A 10 THR HB H 1 4.300 0.000 A 10 THR HG2% H 1 1.247 0.003 A 11 PHE H H 1 8.048 0.000 A 11 PHE HA H 1 4.552 0.004 A 11 PHE HBy H 1 3.145 0.003 A 11 PHE HBx H 1 2.829 0.000 A 12 THR H H 1 8.047 0.004 A 12 THR HA H 1 4.610 0.000 A 12 THR HB H 1 4.390 0.000 A 12 THR HG2% H 1 1.347 0.001 A 13 SER H H 1 7.633 0.004 A 13 SER HA H 1 4.726 0.004 A 13 SER HBx H 1 3.423 0.001 A 14 CYS H H 1 8.112 0.015 A 14 CYS HA H 1 4.812 0.003 A 14 CYS HBy H 1 3.362 0.000 A 14 CYS HBx H 1 3.245 0.003 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 CYS HA A 4 LYS H 1.0 . 2.80 2 2 A 4 LYS HA A 5 ASN H 1.0 . 2.80 3 3 A 6 PHE HA A 7 PHE H 1.0 . 2.80 4 4 A 9 LYS HA A 10 THR H 1.0 . 2.80 5 5 A 5 ASN HA A 6 PHE H 1.0 . 2.80 6 6 A 11 PHE HA A 13 SER H 1.0 . 4.10 7 7 A 11 PHE HA A 12 THR H 1.0 . 2.80 8 8 A 13 SER HA A 14 CYS H 1.0 . 3.00 9 9 A 4 LYS H A 14 CYS HA 1.0 . 3.20 10 10 A 12 THR H A 5 ASN HBx 1.0 . 3.75 11 11 A 12 THR H A 11 PHE HBx 1.0 . 2.80 12 12 A 13 SER H A 11 PHE HBx 1.0 . 3.25 13 13 A 13 SER HA A 9 LYS H 1.0 . 3.30 14 14 A 6 PHE HA A 10 THR H 1.0 . 3.20 15 15 A 7 PHE HA A 8 TRP H 1.0 . 2.80 16 16 A 11 PHE HBx A 8 TRP HE3 1.0 . 3.00 17 17 A 8 TRP HD1 A 13 SER HBy 1.0 . 3.60 18 18 A 11 PHE HBx A 8 TRP HE3 1.0 . 2.80 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 undefined _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 ALA C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 -335.0 -25.0 PHI 2 2 A 2 GLY C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -325.0 -35.0 PHI 3 3 A 2 GLY C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -215.0 95.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 LYS N 1.0 25.0 205.0 PSI 5 5 A 3 CYS C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -335.0 -25.0 PHI 6 6 A 3 CYS C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -205.0 95.0 PHI 7 7 A 4 LYS CA A 4 LYS CB A 4 LYS CG A 4 LYS CD 1.0 -345.0 -15.0 CHI2 8 8 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 ASN N 1.0 25.0 205.0 PSI 9 9 A 4 LYS C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -335.0 -25.0 PHI 10 10 A 4 LYS C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -215.0 95.0 PHI 11 11 A 5 ASN N A 5 ASN CA A 5 ASN CB A 5 ASN CG 1.0 -215.0 95.0 CHI1 12 12 A 5 ASN CA A 5 ASN CB A 5 ASN CG A 5 ASN OD1 1.0 -165.0 155.0 CHI2 13 13 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 PHE N 1.0 25.0 205.0 PSI 14 14 A 5 ASN C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -335.0 -25.0 PHI 15 15 A 5 ASN C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -205.0 85.0 PHI 16 16 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 PHE N 1.0 25.0 205.0 PSI 17 17 A 6 PHE C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -335.0 -25.0 PHI 18 18 A 6 PHE C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -205.0 85.0 PHI 19 19 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 TRP N 1.0 25.0 205.0 PSI 20 20 A 7 PHE C A 8 TRP N A 8 TRP CA A 8 TRP C 1.0 -325.0 -35.0 PHI 21 21 A 7 PHE C A 8 TRP N A 8 TRP CA A 8 TRP C 1.0 -205.0 95.0 PHI 22 22 A 8 TRP CA A 8 TRP CB A 8 TRP CG A 8 TRP CD1 1.0 -155.0 155.0 CHI2 23 23 A 8 TRP C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -335.0 -25.0 PHI 24 24 A 8 TRP C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -205.0 95.0 PHI 25 25 A 9 LYS CA A 9 LYS CB A 9 LYS CG A 9 LYS CD 1.0 -345.0 -15.0 CHI2 26 26 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 THR N 1.0 25.0 205.0 PSI 27 27 A 9 LYS C A 10 THR N A 10 THR CA A 10 THR C 1.0 -335.0 -25.0 PHI 28 28 A 9 LYS C A 10 THR N A 10 THR CA A 10 THR C 1.0 -205.0 95.0 PHI 29 29 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -345.0 -15.0 CHI1 30 30 A 10 THR N A 10 THR CA A 10 THR CB A 10 THR OG1 1.0 -235.0 105.0 CHI1 31 31 A 10 THR CA A 10 THR CB A 10 THR OG1 A 10 THR HG1 1.0 -345.0 -15.0 CHI21 32 32 A 10 THR CA A 10 THR CB A 10 THR OG1 A 10 THR HG1 1.0 -95.0 225.0 CHI21 33 33 A 10 THR C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -325.0 -25.0 PHI 34 34 A 10 THR C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -205.0 85.0 PHI 35 35 A 11 PHE N A 11 PHE CA A 11 PHE CB A 11 PHE CG 1.0 -165.0 115.0 CHI1 36 36 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 THR N 1.0 145.0 205.0 PSI 37 37 A 11 PHE C A 12 THR N A 12 THR CA A 12 THR C 1.0 -335.0 -25.0 PHI 38 38 A 11 PHE C A 12 THR N A 12 THR CA A 12 THR C 1.0 -205.0 95.0 PHI 39 39 A 12 THR N A 12 THR CA A 12 THR CB A 12 THR OG1 1.0 -345.0 -15.0 CHI1 40 40 A 12 THR N A 12 THR CA A 12 THR CB A 12 THR OG1 1.0 -235.0 105.0 CHI1 41 41 A 12 THR CA A 12 THR CB A 12 THR OG1 A 12 THR HG1 1.0 -345.0 -15.0 CHI21 42 42 A 12 THR CA A 12 THR CB A 12 THR OG1 A 12 THR HG1 1.0 -95.0 225.0 CHI21 43 43 A 12 THR C A 13 SER N A 13 SER CA A 13 SER C 1.0 -335.0 -25.0 PHI 44 44 A 12 THR C A 13 SER N A 13 SER CA A 13 SER C 1.0 -215.0 95.0 PHI 45 45 A 13 SER N A 13 SER CA A 13 SER C A 14 CYS N 1.0 5.0 215.0 PSI 46 46 A 13 SER C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -325.0 -35.0 PHI 47 47 A 13 SER C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -215.0 95.0 PHI stop_ save_