data_6303 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6303 _Entry.Title ; Solution structure of a diiron protein model ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-08-26 _Entry.Accession_date 2004-08-26 _Entry.Last_release_date 2005-05-19 _Entry.Original_release_date 2005-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 O. Maglio . . . 6303 2 F. Nastri . . . 6303 3 J. Calhoun . R. . 6303 4 S. Lahr . . . 6303 5 V. Pavone . . . 6303 6 W. DeGrado . F. . 6303 7 A. Lombardi . . . 6303 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6303 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 363 6303 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-05-19 2004-08-26 original author . 6303 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6302 'DF2-TURN MUTANT' 6303 PDB 1U7J 'BMRB Entry Tracking System' 6303 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6303 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15700297 _Citation.Full_citation . _Citation.Title 'Artificial diiron proteins: From structure to function' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume 80 _Citation.Journal_issue 2-3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 264 _Citation.Page_last 278 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Calhoun . R. . 6303 1 2 F. Nastri . . . 6303 1 3 O. Maglio . . . 6303 1 4 V. Pavone . . . 6303 1 5 A. Lombardi . . . 6303 1 6 W. DeGrado . F. . 6303 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Diiron proteins' 6303 1 'four-helix bundle' 6303 1 'inter-helical loops' 6303 1 'protein design' 6303 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DF2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DF2 _Assembly.Entry_ID 6303 _Assembly.ID 1 _Assembly.Name 'Four-helix bundle' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6303 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Four-helix bundle chain A' 1 $DF2 . . . native . . 1 . . 6303 1 2 'Four-helix bundle chain B' 1 $DF2 . . . native . . 1 . . 6303 1 3 'ZINC (II) ION 1' 2 $ZN . . . native . . . . . 6303 1 4 'ZINC (II) ION 2' 2 $ZN . . . native . . . . . 6303 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1U7J . . . . . . 6303 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Four-helix bundle' abbreviation 6303 1 'Four-helix bundle' system 6303 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DF2 _Entity.Sf_category entity _Entity.Sf_framecode DF2 _Entity.Entry_ID 6303 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Four-helix bundle' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDYLRELYKLEQQAMKLYRE ASERVGDPVLAKILEDEEKH IEWLETING ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1U7J . "Solution Structure Of A Diiron Protein Model" . . . . . 100.00 49 100.00 100.00 1.35e-25 . . . . 6303 1 2 no PDB 1Y47 . "Structural Studies Of Designed Alpha-Helical Hairpins" . . . . . 93.88 46 100.00 100.00 1.18e-22 . . . . 6303 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Four-helix bundle' abbreviation 6303 1 'Four-helix bundle' common 6303 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6303 1 2 . ASP . 6303 1 3 . TYR . 6303 1 4 . LEU . 6303 1 5 . ARG . 6303 1 6 . GLU . 6303 1 7 . LEU . 6303 1 8 . TYR . 6303 1 9 . LYS . 6303 1 10 . LEU . 6303 1 11 . GLU . 6303 1 12 . GLN . 6303 1 13 . GLN . 6303 1 14 . ALA . 6303 1 15 . MET . 6303 1 16 . LYS . 6303 1 17 . LEU . 6303 1 18 . TYR . 6303 1 19 . ARG . 6303 1 20 . GLU . 6303 1 21 . ALA . 6303 1 22 . SER . 6303 1 23 . GLU . 6303 1 24 . ARG . 6303 1 25 . VAL . 6303 1 26 . GLY . 6303 1 27 . ASP . 6303 1 28 . PRO . 6303 1 29 . VAL . 6303 1 30 . LEU . 6303 1 31 . ALA . 6303 1 32 . LYS . 6303 1 33 . ILE . 6303 1 34 . LEU . 6303 1 35 . GLU . 6303 1 36 . ASP . 6303 1 37 . GLU . 6303 1 38 . GLU . 6303 1 39 . LYS . 6303 1 40 . HIS . 6303 1 41 . ILE . 6303 1 42 . GLU . 6303 1 43 . TRP . 6303 1 44 . LEU . 6303 1 45 . GLU . 6303 1 46 . THR . 6303 1 47 . ILE . 6303 1 48 . ASN . 6303 1 49 . GLY . 6303 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6303 1 . ASP 2 2 6303 1 . TYR 3 3 6303 1 . LEU 4 4 6303 1 . ARG 5 5 6303 1 . GLU 6 6 6303 1 . LEU 7 7 6303 1 . TYR 8 8 6303 1 . LYS 9 9 6303 1 . LEU 10 10 6303 1 . GLU 11 11 6303 1 . GLN 12 12 6303 1 . GLN 13 13 6303 1 . ALA 14 14 6303 1 . MET 15 15 6303 1 . LYS 16 16 6303 1 . LEU 17 17 6303 1 . TYR 18 18 6303 1 . ARG 19 19 6303 1 . GLU 20 20 6303 1 . ALA 21 21 6303 1 . SER 22 22 6303 1 . GLU 23 23 6303 1 . ARG 24 24 6303 1 . VAL 25 25 6303 1 . GLY 26 26 6303 1 . ASP 27 27 6303 1 . PRO 28 28 6303 1 . VAL 29 29 6303 1 . LEU 30 30 6303 1 . ALA 31 31 6303 1 . LYS 32 32 6303 1 . ILE 33 33 6303 1 . LEU 34 34 6303 1 . GLU 35 35 6303 1 . ASP 36 36 6303 1 . GLU 37 37 6303 1 . GLU 38 38 6303 1 . LYS 39 39 6303 1 . HIS 40 40 6303 1 . ILE 41 41 6303 1 . GLU 42 42 6303 1 . TRP 43 43 6303 1 . LEU 44 44 6303 1 . GLU 45 45 6303 1 . THR 46 46 6303 1 . ILE 47 47 6303 1 . ASN 48 48 6303 1 . GLY 49 49 6303 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6303 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6303 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6303 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DF2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6303 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6303 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DF2 . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'Plasmid PET15B' . . . . . . 6303 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6303 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6303 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6303 ZN [Zn++] SMILES CACTVS 3.341 6303 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6303 ZN [Zn+2] SMILES ACDLabs 10.04 6303 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6303 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6303 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6303 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6303 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6303 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6303 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Four-helix bundle' . . . 1 $DF2 . . 0.5 . . mM . . . . 6303 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6303 1 3 H2O . . . . . . . 90 . . % . . . . 6303 1 4 D2O . . . . . . . 10 . . % . . . . 6303 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6303 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 6303 1 pressure 1 . atm 6303 1 temperature 298 . K 6303 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6303 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details 'Delaglio et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6303 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6303 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guentert et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6303 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6303 _Software.ID 3 _Software.Name AMBER _Software.Version 7.0 _Software.Details 'Case et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6303 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6303 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6303 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 800 . . . 6303 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6303 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6303 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6303 1 3 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6303 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6303 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6303 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6303 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6303 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 internal . 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6303 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6303 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 TYR H H 1 8.12 . . 1 . . . . . . . . 6303 1 2 . 1 1 3 3 TYR HA H 1 3.96 . . 1 . . . . . . . . 6303 1 3 . 1 1 3 3 TYR HB2 H 1 2.91 . . 1 . . . . . . . . 6303 1 4 . 1 1 3 3 TYR HB3 H 1 2.91 . . 1 . . . . . . . . 6303 1 5 . 1 1 3 3 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 6303 1 6 . 1 1 3 3 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 6303 1 7 . 1 1 3 3 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 6303 1 8 . 1 1 3 3 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 6303 1 9 . 1 1 4 4 LEU H H 1 8.21 . . 1 . . . . . . . . 6303 1 10 . 1 1 4 4 LEU HA H 1 4.10 . . 1 . . . . . . . . 6303 1 11 . 1 1 4 4 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 6303 1 12 . 1 1 4 4 LEU HB3 H 1 1.77 . . 2 . . . . . . . . 6303 1 13 . 1 1 4 4 LEU HG H 1 1.62 . . 1 . . . . . . . . 6303 1 14 . 1 1 4 4 LEU HD11 H 1 1.04 . . 1 . . . . . . . . 6303 1 15 . 1 1 4 4 LEU HD12 H 1 1.04 . . 1 . . . . . . . . 6303 1 16 . 1 1 4 4 LEU HD13 H 1 1.04 . . 1 . . . . . . . . 6303 1 17 . 1 1 4 4 LEU HD21 H 1 1.04 . . 1 . . . . . . . . 6303 1 18 . 1 1 4 4 LEU HD22 H 1 1.04 . . 1 . . . . . . . . 6303 1 19 . 1 1 4 4 LEU HD23 H 1 1.04 . . 1 . . . . . . . . 6303 1 20 . 1 1 5 5 ARG H H 1 7.67 . . 1 . . . . . . . . 6303 1 21 . 1 1 5 5 ARG HA H 1 4.12 . . 1 . . . . . . . . 6303 1 22 . 1 1 5 5 ARG HB2 H 1 1.77 . . 1 . . . . . . . . 6303 1 23 . 1 1 5 5 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 6303 1 24 . 1 1 5 5 ARG HG2 H 1 1.89 . . 1 . . . . . . . . 6303 1 25 . 1 1 5 5 ARG HG3 H 1 1.89 . . 1 . . . . . . . . 6303 1 26 . 1 1 5 5 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 6303 1 27 . 1 1 5 5 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 6303 1 28 . 1 1 6 6 GLU H H 1 8.03 . . 1 . . . . . . . . 6303 1 29 . 1 1 6 6 GLU HA H 1 4.14 . . 1 . . . . . . . . 6303 1 30 . 1 1 6 6 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 6303 1 31 . 1 1 6 6 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 6303 1 32 . 1 1 6 6 GLU HG2 H 1 2.39 . . 2 . . . . . . . . 6303 1 33 . 1 1 6 6 GLU HG3 H 1 2.33 . . 2 . . . . . . . . 6303 1 34 . 1 1 7 7 LEU H H 1 8.54 . . 1 . . . . . . . . 6303 1 35 . 1 1 7 7 LEU HA H 1 3.92 . . 1 . . . . . . . . 6303 1 36 . 1 1 7 7 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 6303 1 37 . 1 1 7 7 LEU HB3 H 1 1.66 . . 2 . . . . . . . . 6303 1 38 . 1 1 7 7 LEU HG H 1 1.39 . . 1 . . . . . . . . 6303 1 39 . 1 1 7 7 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 6303 1 40 . 1 1 7 7 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 6303 1 41 . 1 1 7 7 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 6303 1 42 . 1 1 7 7 LEU HD21 H 1 -0.06 . . 2 . . . . . . . . 6303 1 43 . 1 1 7 7 LEU HD22 H 1 -0.06 . . 2 . . . . . . . . 6303 1 44 . 1 1 7 7 LEU HD23 H 1 -0.06 . . 2 . . . . . . . . 6303 1 45 . 1 1 8 8 TYR H H 1 8.10 . . 1 . . . . . . . . 6303 1 46 . 1 1 8 8 TYR HA H 1 3.96 . . 1 . . . . . . . . 6303 1 47 . 1 1 8 8 TYR HB2 H 1 3.22 . . 2 . . . . . . . . 6303 1 48 . 1 1 8 8 TYR HB3 H 1 3.16 . . 2 . . . . . . . . 6303 1 49 . 1 1 8 8 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 6303 1 50 . 1 1 8 8 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 6303 1 51 . 1 1 8 8 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 6303 1 52 . 1 1 8 8 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 6303 1 53 . 1 1 9 9 LYS H H 1 7.78 . . 1 . . . . . . . . 6303 1 54 . 1 1 9 9 LYS HA H 1 4.08 . . 1 . . . . . . . . 6303 1 55 . 1 1 9 9 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 6303 1 56 . 1 1 9 9 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 6303 1 57 . 1 1 9 9 LYS HG2 H 1 1.51 . . 1 . . . . . . . . 6303 1 58 . 1 1 9 9 LYS HG3 H 1 1.51 . . 1 . . . . . . . . 6303 1 59 . 1 1 9 9 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 6303 1 60 . 1 1 9 9 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 6303 1 61 . 1 1 9 9 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 6303 1 62 . 1 1 9 9 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 6303 1 63 . 1 1 10 10 LEU H H 1 7.90 . . 1 . . . . . . . . 6303 1 64 . 1 1 10 10 LEU HA H 1 4.20 . . 1 . . . . . . . . 6303 1 65 . 1 1 10 10 LEU HB2 H 1 1.91 . . 1 . . . . . . . . 6303 1 66 . 1 1 10 10 LEU HB3 H 1 1.91 . . 1 . . . . . . . . 6303 1 67 . 1 1 10 10 LEU HG H 1 1.73 . . 1 . . . . . . . . 6303 1 68 . 1 1 10 10 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 6303 1 69 . 1 1 10 10 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 6303 1 70 . 1 1 10 10 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 6303 1 71 . 1 1 10 10 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 6303 1 72 . 1 1 10 10 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 6303 1 73 . 1 1 10 10 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 6303 1 74 . 1 1 11 11 GLU H H 1 8.62 . . 1 . . . . . . . . 6303 1 75 . 1 1 11 11 GLU HA H 1 4.55 . . 1 . . . . . . . . 6303 1 76 . 1 1 11 11 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 6303 1 77 . 1 1 11 11 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 6303 1 78 . 1 1 11 11 GLU HG2 H 1 2.77 . . 2 . . . . . . . . 6303 1 79 . 1 1 11 11 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 6303 1 80 . 1 1 12 12 GLN H H 1 8.26 . . 1 . . . . . . . . 6303 1 81 . 1 1 12 12 GLN HA H 1 3.94 . . 1 . . . . . . . . 6303 1 82 . 1 1 12 12 GLN HB2 H 1 2.39 . . 2 . . . . . . . . 6303 1 83 . 1 1 12 12 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 6303 1 84 . 1 1 12 12 GLN HG2 H 1 2.31 . . 2 . . . . . . . . 6303 1 85 . 1 1 12 12 GLN HG3 H 1 1.99 . . 2 . . . . . . . . 6303 1 86 . 1 1 12 12 GLN HE21 H 1 6.96 . . 2 . . . . . . . . 6303 1 87 . 1 1 12 12 GLN HE22 H 1 6.54 . . 2 . . . . . . . . 6303 1 88 . 1 1 13 13 GLN H H 1 7.97 . . 1 . . . . . . . . 6303 1 89 . 1 1 13 13 GLN HA H 1 4.13 . . 1 . . . . . . . . 6303 1 90 . 1 1 13 13 GLN HB2 H 1 2.42 . . 2 . . . . . . . . 6303 1 91 . 1 1 13 13 GLN HB3 H 1 2.27 . . 2 . . . . . . . . 6303 1 92 . 1 1 13 13 GLN HG2 H 1 2.53 . . 2 . . . . . . . . 6303 1 93 . 1 1 13 13 GLN HG3 H 1 2.16 . . 2 . . . . . . . . 6303 1 94 . 1 1 13 13 GLN HE21 H 1 7.22 . . 2 . . . . . . . . 6303 1 95 . 1 1 13 13 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 6303 1 96 . 1 1 14 14 ALA H H 1 8.96 . . 1 . . . . . . . . 6303 1 97 . 1 1 14 14 ALA HA H 1 3.98 . . 1 . . . . . . . . 6303 1 98 . 1 1 14 14 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 6303 1 99 . 1 1 14 14 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 6303 1 100 . 1 1 14 14 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 6303 1 101 . 1 1 15 15 MET H H 1 8.95 . . 1 . . . . . . . . 6303 1 102 . 1 1 15 15 MET HA H 1 3.97 . . 1 . . . . . . . . 6303 1 103 . 1 1 15 15 MET HB2 H 1 2.18 . . 1 . . . . . . . . 6303 1 104 . 1 1 15 15 MET HB3 H 1 2.18 . . 1 . . . . . . . . 6303 1 105 . 1 1 15 15 MET HG2 H 1 2.58 . . 1 . . . . . . . . 6303 1 106 . 1 1 15 15 MET HG3 H 1 2.58 . . 1 . . . . . . . . 6303 1 107 . 1 1 15 15 MET HE1 H 1 1.97 . . 1 . . . . . . . . 6303 1 108 . 1 1 15 15 MET HE2 H 1 1.97 . . 1 . . . . . . . . 6303 1 109 . 1 1 15 15 MET HE3 H 1 1.97 . . 1 . . . . . . . . 6303 1 110 . 1 1 16 16 LYS H H 1 7.70 . . 1 . . . . . . . . 6303 1 111 . 1 1 16 16 LYS HA H 1 3.98 . . 1 . . . . . . . . 6303 1 112 . 1 1 16 16 LYS HB2 H 1 1.98 . . 1 . . . . . . . . 6303 1 113 . 1 1 16 16 LYS HB3 H 1 1.98 . . 1 . . . . . . . . 6303 1 114 . 1 1 16 16 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 6303 1 115 . 1 1 16 16 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 6303 1 116 . 1 1 16 16 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 6303 1 117 . 1 1 16 16 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 6303 1 118 . 1 1 16 16 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 6303 1 119 . 1 1 16 16 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 6303 1 120 . 1 1 17 17 LEU H H 1 8.07 . . 1 . . . . . . . . 6303 1 121 . 1 1 17 17 LEU HA H 1 4.30 . . 1 . . . . . . . . 6303 1 122 . 1 1 17 17 LEU HB2 H 1 1.97 . . 2 . . . . . . . . 6303 1 123 . 1 1 17 17 LEU HB3 H 1 1.54 . . 2 . . . . . . . . 6303 1 124 . 1 1 17 17 LEU HG H 1 1.72 . . 1 . . . . . . . . 6303 1 125 . 1 1 17 17 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 6303 1 126 . 1 1 17 17 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 6303 1 127 . 1 1 17 17 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 6303 1 128 . 1 1 17 17 LEU HD21 H 1 0.95 . . 1 . . . . . . . . 6303 1 129 . 1 1 17 17 LEU HD22 H 1 0.95 . . 1 . . . . . . . . 6303 1 130 . 1 1 17 17 LEU HD23 H 1 0.95 . . 1 . . . . . . . . 6303 1 131 . 1 1 18 18 TYR H H 1 9.47 . . 1 . . . . . . . . 6303 1 132 . 1 1 18 18 TYR HA H 1 4.12 . . 1 . . . . . . . . 6303 1 133 . 1 1 18 18 TYR HB2 H 1 3.04 . . 2 . . . . . . . . 6303 1 134 . 1 1 18 18 TYR HB3 H 1 2.86 . . 2 . . . . . . . . 6303 1 135 . 1 1 18 18 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 6303 1 136 . 1 1 18 18 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 6303 1 137 . 1 1 18 18 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 6303 1 138 . 1 1 18 18 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 6303 1 139 . 1 1 18 18 TYR HH H 1 9.93 . . 1 . . . . . . . . 6303 1 140 . 1 1 19 19 ARG H H 1 8.51 . . 1 . . . . . . . . 6303 1 141 . 1 1 19 19 ARG HA H 1 3.96 . . 1 . . . . . . . . 6303 1 142 . 1 1 19 19 ARG HB2 H 1 2.00 . . 2 . . . . . . . . 6303 1 143 . 1 1 19 19 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 6303 1 144 . 1 1 19 19 ARG HG2 H 1 1.68 . . 1 . . . . . . . . 6303 1 145 . 1 1 19 19 ARG HG3 H 1 1.68 . . 1 . . . . . . . . 6303 1 146 . 1 1 19 19 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 6303 1 147 . 1 1 19 19 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 6303 1 148 . 1 1 20 20 GLU H H 1 7.71 . . 1 . . . . . . . . 6303 1 149 . 1 1 20 20 GLU HA H 1 4.04 . . 1 . . . . . . . . 6303 1 150 . 1 1 20 20 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 6303 1 151 . 1 1 20 20 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 6303 1 152 . 1 1 20 20 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 6303 1 153 . 1 1 20 20 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 6303 1 154 . 1 1 21 21 ALA H H 1 8.75 . . 1 . . . . . . . . 6303 1 155 . 1 1 21 21 ALA HA H 1 3.37 . . 1 . . . . . . . . 6303 1 156 . 1 1 21 21 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 6303 1 157 . 1 1 21 21 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 6303 1 158 . 1 1 21 21 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 6303 1 159 . 1 1 22 22 SER H H 1 8.74 . . 1 . . . . . . . . 6303 1 160 . 1 1 22 22 SER HA H 1 4.08 . . 1 . . . . . . . . 6303 1 161 . 1 1 22 22 SER HB2 H 1 3.99 . . 2 . . . . . . . . 6303 1 162 . 1 1 22 22 SER HB3 H 1 3.94 . . 2 . . . . . . . . 6303 1 163 . 1 1 23 23 GLU H H 1 7.48 . . 1 . . . . . . . . 6303 1 164 . 1 1 23 23 GLU HA H 1 4.10 . . 1 . . . . . . . . 6303 1 165 . 1 1 23 23 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 6303 1 166 . 1 1 23 23 GLU HB3 H 1 1.73 . . 2 . . . . . . . . 6303 1 167 . 1 1 23 23 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 6303 1 168 . 1 1 23 23 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 6303 1 169 . 1 1 24 24 ARG H H 1 7.77 . . 1 . . . . . . . . 6303 1 170 . 1 1 24 24 ARG HA H 1 4.30 . . 1 . . . . . . . . 6303 1 171 . 1 1 24 24 ARG HB2 H 1 1.73 . . 1 . . . . . . . . 6303 1 172 . 1 1 24 24 ARG HB3 H 1 1.73 . . 1 . . . . . . . . 6303 1 173 . 1 1 24 24 ARG HG2 H 1 1.79 . . 1 . . . . . . . . 6303 1 174 . 1 1 24 24 ARG HG3 H 1 1.79 . . 1 . . . . . . . . 6303 1 175 . 1 1 24 24 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 6303 1 176 . 1 1 24 24 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 6303 1 177 . 1 1 25 25 VAL H H 1 8.63 . . 1 . . . . . . . . 6303 1 178 . 1 1 25 25 VAL HA H 1 4.14 . . 1 . . . . . . . . 6303 1 179 . 1 1 25 25 VAL HB H 1 2.11 . . 1 . . . . . . . . 6303 1 180 . 1 1 25 25 VAL HG11 H 1 1.09 . . 2 . . . . . . . . 6303 1 181 . 1 1 25 25 VAL HG12 H 1 1.09 . . 2 . . . . . . . . 6303 1 182 . 1 1 25 25 VAL HG13 H 1 1.09 . . 2 . . . . . . . . 6303 1 183 . 1 1 25 25 VAL HG21 H 1 1.02 . . 2 . . . . . . . . 6303 1 184 . 1 1 25 25 VAL HG22 H 1 1.02 . . 2 . . . . . . . . 6303 1 185 . 1 1 25 25 VAL HG23 H 1 1.02 . . 2 . . . . . . . . 6303 1 186 . 1 1 26 26 GLY H H 1 7.86 . . 1 . . . . . . . . 6303 1 187 . 1 1 26 26 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 6303 1 188 . 1 1 26 26 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 6303 1 189 . 1 1 27 27 ASP H H 1 6.63 . . 1 . . . . . . . . 6303 1 190 . 1 1 27 27 ASP HA H 1 4.96 . . 1 . . . . . . . . 6303 1 191 . 1 1 27 27 ASP HB2 H 1 2.60 . . 1 . . . . . . . . 6303 1 192 . 1 1 27 27 ASP HB3 H 1 2.60 . . 1 . . . . . . . . 6303 1 193 . 1 1 28 28 PRO HA H 1 4.38 . . 1 . . . . . . . . 6303 1 194 . 1 1 28 28 PRO HB2 H 1 2.41 . . 1 . . . . . . . . 6303 1 195 . 1 1 28 28 PRO HB3 H 1 2.41 . . 1 . . . . . . . . 6303 1 196 . 1 1 28 28 PRO HG2 H 1 2.06 . . 2 . . . . . . . . 6303 1 197 . 1 1 28 28 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 6303 1 198 . 1 1 28 28 PRO HD2 H 1 4.06 . . 2 . . . . . . . . 6303 1 199 . 1 1 28 28 PRO HD3 H 1 3.90 . . 2 . . . . . . . . 6303 1 200 . 1 1 29 29 VAL H H 1 9.01 . . 1 . . . . . . . . 6303 1 201 . 1 1 29 29 VAL HA H 1 3.52 . . 1 . . . . . . . . 6303 1 202 . 1 1 29 29 VAL HB H 1 1.89 . . 1 . . . . . . . . 6303 1 203 . 1 1 29 29 VAL HG11 H 1 0.80 . . 2 . . . . . . . . 6303 1 204 . 1 1 29 29 VAL HG12 H 1 0.80 . . 2 . . . . . . . . 6303 1 205 . 1 1 29 29 VAL HG13 H 1 0.80 . . 2 . . . . . . . . 6303 1 206 . 1 1 29 29 VAL HG21 H 1 0.60 . . 2 . . . . . . . . 6303 1 207 . 1 1 29 29 VAL HG22 H 1 0.60 . . 2 . . . . . . . . 6303 1 208 . 1 1 29 29 VAL HG23 H 1 0.60 . . 2 . . . . . . . . 6303 1 209 . 1 1 30 30 LEU H H 1 7.60 . . 1 . . . . . . . . 6303 1 210 . 1 1 30 30 LEU HA H 1 3.92 . . 1 . . . . . . . . 6303 1 211 . 1 1 30 30 LEU HB2 H 1 1.97 . . 2 . . . . . . . . 6303 1 212 . 1 1 30 30 LEU HB3 H 1 1.79 . . 2 . . . . . . . . 6303 1 213 . 1 1 30 30 LEU HG H 1 1.47 . . 1 . . . . . . . . 6303 1 214 . 1 1 30 30 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 6303 1 215 . 1 1 30 30 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 6303 1 216 . 1 1 30 30 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 6303 1 217 . 1 1 30 30 LEU HD21 H 1 0.98 . . 1 . . . . . . . . 6303 1 218 . 1 1 30 30 LEU HD22 H 1 0.98 . . 1 . . . . . . . . 6303 1 219 . 1 1 30 30 LEU HD23 H 1 0.98 . . 1 . . . . . . . . 6303 1 220 . 1 1 31 31 ALA H H 1 7.03 . . 1 . . . . . . . . 6303 1 221 . 1 1 31 31 ALA HA H 1 4.01 . . 1 . . . . . . . . 6303 1 222 . 1 1 31 31 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 6303 1 223 . 1 1 31 31 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 6303 1 224 . 1 1 31 31 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 6303 1 225 . 1 1 32 32 LYS H H 1 7.26 . . 1 . . . . . . . . 6303 1 226 . 1 1 32 32 LYS HA H 1 4.05 . . 1 . . . . . . . . 6303 1 227 . 1 1 32 32 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 6303 1 228 . 1 1 32 32 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 6303 1 229 . 1 1 32 32 LYS HG2 H 1 1.86 . . 1 . . . . . . . . 6303 1 230 . 1 1 32 32 LYS HG3 H 1 1.86 . . 1 . . . . . . . . 6303 1 231 . 1 1 32 32 LYS HD2 H 1 1.43 . . 1 . . . . . . . . 6303 1 232 . 1 1 32 32 LYS HD3 H 1 1.43 . . 1 . . . . . . . . 6303 1 233 . 1 1 32 32 LYS HE2 H 1 2.74 . . 1 . . . . . . . . 6303 1 234 . 1 1 32 32 LYS HE3 H 1 2.74 . . 1 . . . . . . . . 6303 1 235 . 1 1 33 33 ILE H H 1 8.02 . . 1 . . . . . . . . 6303 1 236 . 1 1 33 33 ILE HA H 1 2.97 . . 1 . . . . . . . . 6303 1 237 . 1 1 33 33 ILE HB H 1 1.07 . . 1 . . . . . . . . 6303 1 238 . 1 1 33 33 ILE HG21 H 1 -0.63 . . 1 . . . . . . . . 6303 1 239 . 1 1 33 33 ILE HG22 H 1 -0.63 . . 1 . . . . . . . . 6303 1 240 . 1 1 33 33 ILE HG23 H 1 -0.63 . . 1 . . . . . . . . 6303 1 241 . 1 1 33 33 ILE HG12 H 1 1.07 . . 1 . . . . . . . . 6303 1 242 . 1 1 33 33 ILE HG13 H 1 1.07 . . 1 . . . . . . . . 6303 1 243 . 1 1 33 33 ILE HD11 H 1 -0.63 . . 1 . . . . . . . . 6303 1 244 . 1 1 33 33 ILE HD12 H 1 -0.63 . . 1 . . . . . . . . 6303 1 245 . 1 1 33 33 ILE HD13 H 1 -0.63 . . 1 . . . . . . . . 6303 1 246 . 1 1 34 34 LEU H H 1 7.73 . . 1 . . . . . . . . 6303 1 247 . 1 1 34 34 LEU HA H 1 3.52 . . 1 . . . . . . . . 6303 1 248 . 1 1 34 34 LEU HB2 H 1 1.49 . . 1 . . . . . . . . 6303 1 249 . 1 1 34 34 LEU HB3 H 1 1.49 . . 1 . . . . . . . . 6303 1 250 . 1 1 34 34 LEU HG H 1 1.44 . . 1 . . . . . . . . 6303 1 251 . 1 1 34 34 LEU HD11 H 1 0.89 . . 1 . . . . . . . . 6303 1 252 . 1 1 34 34 LEU HD12 H 1 0.89 . . 1 . . . . . . . . 6303 1 253 . 1 1 34 34 LEU HD13 H 1 0.89 . . 1 . . . . . . . . 6303 1 254 . 1 1 34 34 LEU HD21 H 1 0.89 . . 1 . . . . . . . . 6303 1 255 . 1 1 34 34 LEU HD22 H 1 0.89 . . 1 . . . . . . . . 6303 1 256 . 1 1 34 34 LEU HD23 H 1 0.89 . . 1 . . . . . . . . 6303 1 257 . 1 1 35 35 GLU H H 1 7.21 . . 1 . . . . . . . . 6303 1 258 . 1 1 35 35 GLU HA H 1 3.96 . . 1 . . . . . . . . 6303 1 259 . 1 1 35 35 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 6303 1 260 . 1 1 35 35 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 6303 1 261 . 1 1 35 35 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 6303 1 262 . 1 1 35 35 GLU HG3 H 1 2.20 . . 2 . . . . . . . . 6303 1 263 . 1 1 36 36 ASP H H 1 7.53 . . 1 . . . . . . . . 6303 1 264 . 1 1 36 36 ASP HA H 1 4.13 . . 1 . . . . . . . . 6303 1 265 . 1 1 36 36 ASP HB2 H 1 3.13 . . 2 . . . . . . . . 6303 1 266 . 1 1 36 36 ASP HB3 H 1 2.09 . . 2 . . . . . . . . 6303 1 267 . 1 1 37 37 GLU H H 1 8.23 . . 1 . . . . . . . . 6303 1 268 . 1 1 37 37 GLU HA H 1 4.34 . . 1 . . . . . . . . 6303 1 269 . 1 1 37 37 GLU HB2 H 1 1.69 . . 1 . . . . . . . . 6303 1 270 . 1 1 37 37 GLU HB3 H 1 1.69 . . 1 . . . . . . . . 6303 1 271 . 1 1 37 37 GLU HG2 H 1 2.61 . . 1 . . . . . . . . 6303 1 272 . 1 1 37 37 GLU HG3 H 1 2.61 . . 1 . . . . . . . . 6303 1 273 . 1 1 38 38 GLU H H 1 7.95 . . 1 . . . . . . . . 6303 1 274 . 1 1 38 38 GLU HA H 1 3.93 . . 1 . . . . . . . . 6303 1 275 . 1 1 38 38 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 6303 1 276 . 1 1 38 38 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 6303 1 277 . 1 1 38 38 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 6303 1 278 . 1 1 38 38 GLU HG3 H 1 2.47 . . 1 . . . . . . . . 6303 1 279 . 1 1 39 39 LYS H H 1 7.32 . . 1 . . . . . . . . 6303 1 280 . 1 1 39 39 LYS HA H 1 3.81 . . 1 . . . . . . . . 6303 1 281 . 1 1 39 39 LYS HB2 H 1 1.66 . . 1 . . . . . . . . 6303 1 282 . 1 1 39 39 LYS HB3 H 1 1.66 . . 1 . . . . . . . . 6303 1 283 . 1 1 39 39 LYS HG2 H 1 1.36 . . 2 . . . . . . . . 6303 1 284 . 1 1 39 39 LYS HG3 H 1 1.29 . . 2 . . . . . . . . 6303 1 285 . 1 1 39 39 LYS HD2 H 1 0.67 . . 1 . . . . . . . . 6303 1 286 . 1 1 39 39 LYS HD3 H 1 0.67 . . 1 . . . . . . . . 6303 1 287 . 1 1 40 40 HIS H H 1 8.21 . . 1 . . . . . . . . 6303 1 288 . 1 1 40 40 HIS HA H 1 4.16 . . 1 . . . . . . . . 6303 1 289 . 1 1 40 40 HIS HB2 H 1 3.56 . . 2 . . . . . . . . 6303 1 290 . 1 1 40 40 HIS HB3 H 1 3.13 . . 2 . . . . . . . . 6303 1 291 . 1 1 40 40 HIS HD2 H 1 6.33 . . 1 . . . . . . . . 6303 1 292 . 1 1 40 40 HIS HE1 H 1 7.43 . . 1 . . . . . . . . 6303 1 293 . 1 1 40 40 HIS HE2 H 1 14.98 . . 1 . . . . . . . . 6303 1 294 . 1 1 41 41 ILE H H 1 7.96 . . 1 . . . . . . . . 6303 1 295 . 1 1 41 41 ILE HA H 1 3.70 . . 1 . . . . . . . . 6303 1 296 . 1 1 41 41 ILE HB H 1 2.01 . . 1 . . . . . . . . 6303 1 297 . 1 1 41 41 ILE HG21 H 1 0.96 . . 1 . . . . . . . . 6303 1 298 . 1 1 41 41 ILE HG22 H 1 0.96 . . 1 . . . . . . . . 6303 1 299 . 1 1 41 41 ILE HG23 H 1 0.96 . . 1 . . . . . . . . 6303 1 300 . 1 1 41 41 ILE HG12 H 1 0.96 . . 1 . . . . . . . . 6303 1 301 . 1 1 41 41 ILE HG13 H 1 0.96 . . 1 . . . . . . . . 6303 1 302 . 1 1 41 41 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 6303 1 303 . 1 1 41 41 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 6303 1 304 . 1 1 41 41 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 6303 1 305 . 1 1 42 42 GLU H H 1 7.47 . . 1 . . . . . . . . 6303 1 306 . 1 1 42 42 GLU HA H 1 4.14 . . 1 . . . . . . . . 6303 1 307 . 1 1 42 42 GLU HB2 H 1 2.21 . . 1 . . . . . . . . 6303 1 308 . 1 1 42 42 GLU HB3 H 1 2.21 . . 1 . . . . . . . . 6303 1 309 . 1 1 42 42 GLU HG2 H 1 2.02 . . 1 . . . . . . . . 6303 1 310 . 1 1 42 42 GLU HG3 H 1 2.02 . . 1 . . . . . . . . 6303 1 311 . 1 1 43 43 TRP H H 1 8.87 . . 1 . . . . . . . . 6303 1 312 . 1 1 43 43 TRP HA H 1 4.70 . . 1 . . . . . . . . 6303 1 313 . 1 1 43 43 TRP HB2 H 1 3.56 . . 2 . . . . . . . . 6303 1 314 . 1 1 43 43 TRP HB3 H 1 3.26 . . 2 . . . . . . . . 6303 1 315 . 1 1 43 43 TRP HD1 H 1 7.22 . . 1 . . . . . . . . 6303 1 316 . 1 1 43 43 TRP HE3 H 1 7.42 . . 1 . . . . . . . . 6303 1 317 . 1 1 43 43 TRP HE1 H 1 10.28 . . 1 . . . . . . . . 6303 1 318 . 1 1 43 43 TRP HZ3 H 1 6.84 . . 1 . . . . . . . . 6303 1 319 . 1 1 43 43 TRP HZ2 H 1 7.54 . . 1 . . . . . . . . 6303 1 320 . 1 1 43 43 TRP HH2 H 1 7.24 . . 1 . . . . . . . . 6303 1 321 . 1 1 44 44 LEU H H 1 8.96 . . 1 . . . . . . . . 6303 1 322 . 1 1 44 44 LEU HA H 1 4.10 . . 1 . . . . . . . . 6303 1 323 . 1 1 44 44 LEU HB2 H 1 2.36 . . 2 . . . . . . . . 6303 1 324 . 1 1 44 44 LEU HB3 H 1 2.28 . . 2 . . . . . . . . 6303 1 325 . 1 1 44 44 LEU HG H 1 1.08 . . 1 . . . . . . . . 6303 1 326 . 1 1 44 44 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 6303 1 327 . 1 1 44 44 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 6303 1 328 . 1 1 44 44 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 6303 1 329 . 1 1 44 44 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 6303 1 330 . 1 1 44 44 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 6303 1 331 . 1 1 44 44 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 6303 1 332 . 1 1 45 45 GLU H H 1 8.26 . . 1 . . . . . . . . 6303 1 333 . 1 1 45 45 GLU HA H 1 4.11 . . 1 . . . . . . . . 6303 1 334 . 1 1 45 45 GLU HB2 H 1 2.39 . . 2 . . . . . . . . 6303 1 335 . 1 1 45 45 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 6303 1 336 . 1 1 45 45 GLU HG2 H 1 2.84 . . 1 . . . . . . . . 6303 1 337 . 1 1 45 45 GLU HG3 H 1 2.84 . . 1 . . . . . . . . 6303 1 338 . 1 1 46 46 THR H H 1 7.82 . . 1 . . . . . . . . 6303 1 339 . 1 1 46 46 THR HA H 1 4.34 . . 1 . . . . . . . . 6303 1 340 . 1 1 46 46 THR HB H 1 4.49 . . 1 . . . . . . . . 6303 1 341 . 1 1 46 46 THR HG21 H 1 1.42 . . 1 . . . . . . . . 6303 1 342 . 1 1 46 46 THR HG22 H 1 1.42 . . 1 . . . . . . . . 6303 1 343 . 1 1 46 46 THR HG23 H 1 1.42 . . 1 . . . . . . . . 6303 1 344 . 1 1 47 47 ILE H H 1 7.43 . . 1 . . . . . . . . 6303 1 345 . 1 1 47 47 ILE HA H 1 4.12 . . 1 . . . . . . . . 6303 1 346 . 1 1 47 47 ILE HB H 1 1.91 . . 1 . . . . . . . . 6303 1 347 . 1 1 47 47 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 6303 1 348 . 1 1 47 47 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 6303 1 349 . 1 1 47 47 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 6303 1 350 . 1 1 47 47 ILE HG12 H 1 1.60 . . 1 . . . . . . . . 6303 1 351 . 1 1 47 47 ILE HG13 H 1 1.60 . . 1 . . . . . . . . 6303 1 352 . 1 1 47 47 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 6303 1 353 . 1 1 47 47 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 6303 1 354 . 1 1 47 47 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 6303 1 355 . 1 1 48 48 ASN H H 1 8.31 . . 1 . . . . . . . . 6303 1 356 . 1 1 48 48 ASN HA H 1 4.75 . . 1 . . . . . . . . 6303 1 357 . 1 1 48 48 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 6303 1 358 . 1 1 48 48 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 6303 1 359 . 1 1 48 48 ASN HD21 H 1 7.50 . . 2 . . . . . . . . 6303 1 360 . 1 1 48 48 ASN HD22 H 1 6.60 . . 2 . . . . . . . . 6303 1 361 . 1 1 49 49 GLY H H 1 7.82 . . 1 . . . . . . . . 6303 1 362 . 1 1 49 49 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 6303 1 363 . 1 1 49 49 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 6303 1 stop_ save_