data_15605 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15605 _Entry.Title ; HIV-1 gp41 Membrane Proximal Ectodomain Region peptide in DPC micelle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-26 _Entry.Accession_date 2007-12-26 _Entry.Last_release_date 2008-01-18 _Entry.Original_release_date 2008-01-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Z. Sun Z. -Y.J. . 15605 2 K. Oh K. J. . 15605 3 M. Kim M. . . 15605 4 E. Reinherz E. L. . 15605 5 G. Wagner G. . . 15605 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'kinked helix' . 15605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 118 15605 '15N chemical shifts' 28 15605 '1H chemical shifts' 142 15605 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 . . 2008-01-18 2007-12-26 original author . 15605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2PV6 . 15605 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15605 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18191596 _Citation.Full_citation . _Citation.Title 'HIV-1 Broadly Neutralizing Antibody Extracts Its Epitope from a Kinked gp41 Ectodomain Region on the Viral Membrane' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Immunity _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 1 _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 52 _Citation.Page_last 63 _Citation.Year 2008 _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 Zhen-Yu Sun Z. J. . 15605 1 2 Kyoung Oh K. J. . 15605 1 3 Mikyung Kim M. . . 15605 1 4 Jessica Yu J. . . 15605 1 5 Vladimir Brusic V. . . 15605 1 6 Likai Song L. . . 15605 1 7 Zhisong Qiao Z. . . 15605 1 8 Jia-huai Wang J. . . 15605 1 9 Gerhard Wagner G. . . 15605 1 10 Ellis Reinherz E. L. . 15605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15605 _Assembly.ID 1 _Assembly.Name mper _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'Envelope glycoprotein' 1 $mper A . yes native no no . . . 15605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mper _Entity.Sf_category entity _Entity.Sf_framecode mper _Entity.Entry_ID 15605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mper _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ELDKWASLWNWFNITNWLWY IK ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'residues 662-683 of HIV-1 gp160 glycoprotein' _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 2015-11-26 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 BMRB 18237 . entity . . . . . 100.00 59 100.00 100.00 1.48e-05 . . . . 15605 1 2 no BMRB 19215 . gp41-M-MAT . . . . . 100.00 59 100.00 100.00 1.48e-05 . . . . 15605 1 3 no BMRB 19262 . MPERp . . . . . 100.00 28 100.00 100.00 4.40e-05 . . . . 15605 1 4 no BMRB 19263 . MPERp . . . . . 100.00 28 100.00 100.00 4.40e-05 . . . . 15605 1 5 no PDB 1JAU . "Nmr Solution Structure Of The Trp-Rich Peptide Of Hiv Gp41 Bound To Dpc Micelles" . . . . . 86.36 20 100.00 100.00 1.19e-02 . . . . 15605 1 6 no PDB 1JAV . "Average Nmr Solution Structure Of The Trp-Rich Peptide Of Hiv Gp41 Bound To Dpc Micelles" . . . . . 86.36 20 100.00 100.00 1.19e-02 . . . . 15605 1 7 no PDB 2LP7 . "Structure Of Gp41-m-mat, A Membrane Associated Mper Trimer From Hiv-1 Gp41." . . . . . 100.00 59 100.00 100.00 1.48e-05 . . . . 15605 1 8 no PDB 2M7W . "Independently Verified Structure Of Gp41-m-mat, A Membrane Associated Mper Trimer From Hiv-1 Gp41" . . . . . 100.00 59 100.00 100.00 1.48e-05 . . . . 15605 1 9 no PDB 2M8M . "Nmr Assignment And Structure Of A Peptide Derived From The Membrane Proximal External Region Of Hiv-1 Gp41 In The Presence Of H" . . . . . 100.00 28 100.00 100.00 4.40e-05 . . . . 15605 1 10 no PDB 2M8O . "Nmr Assignment And Structure Of A Peptide Derived From The Membrane Proximal External Region Of Hiv-1 Gp41 In Dpc" . . . . . 100.00 28 100.00 100.00 4.40e-05 . . . . 15605 1 11 no PDB 2PV6 . "Hiv-1 Gp41 Membrane Proximal Ectodomain Region Peptide In Dpc Micelle" . . . . . 100.00 22 100.00 100.00 6.36e-05 . . . . 15605 1 12 no PDB 2X7R . "Crystal Structure Of A Late Fusion Intermediate Of Hiv-1 Gp41" . . . . . 100.00 63 100.00 100.00 1.53e-05 . . . . 15605 1 13 no PDB 3G9R . "Structure Of The Hiv-1 Gp41 Membrane-Proximal Ectodomain Region In A Putative Prefusion Conformation" . . . . . 100.00 42 100.00 100.00 1.71e-05 . . . . 15605 1 14 no PDB 3GWO . "Structure Of The C-terminal Domain Of A Putative Hiv-1 Gp41 Fusion Intermediate" . . . . . 100.00 54 100.00 100.00 1.86e-05 . . . . 15605 1 15 no PDB 3H01 . "Structure Of The C-terminal Domain Of A Putative Hiv-1 Gp41 Fusion Intermediate" . . . . . 100.00 54 100.00 100.00 1.82e-05 . . . . 15605 1 16 no DBJ BAA12995 . "Env [Human immunodeficiency virus 1]" . . . . . 100.00 856 100.00 100.00 4.12e-05 . . . . 15605 1 17 no DBJ BAA13003 . "Env [Human immunodeficiency virus 1]" . . . . . 100.00 856 100.00 100.00 4.16e-05 . . . . 15605 1 18 no DBJ BAD66665 . "envelope protein [Simian-Human immunodeficiency virus]" . . . . . 100.00 854 100.00 100.00 4.58e-05 . . . . 15605 1 19 no DBJ BAF34648 . "envelope polyprotein [HIV-1 vector pNL-DT5R]" . . . . . 100.00 854 100.00 100.00 4.49e-05 . . . . 15605 1 20 no DBJ BAH97413 . "Env [Human immunodeficiency virus 1]" . . . . . 100.00 858 100.00 100.00 4.54e-05 . . . . 15605 1 21 no EMBL CAA25903 . "unnamed protein product [Human immunodeficiency virus 1]" . . . . . 100.00 833 100.00 100.00 3.94e-05 . . . . 15605 1 22 no EMBL CAA77628 . "env polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 851 100.00 100.00 4.04e-05 . . . . 15605 1 23 no EMBL CAD10137 . "gp160 [Human immunodeficiency virus 1]" . . . . . 95.45 851 100.00 100.00 4.80e-05 . . . . 15605 1 24 no EMBL CAD20942 . "gp41 protein [Human immunodeficiency virus 1]" . . . . . 90.91 162 100.00 100.00 3.25e-04 . . . . 15605 1 25 no GB AAA44073 . "envelope polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 849 100.00 100.00 4.08e-05 . . . . 15605 1 26 no GB AAA44205 . "envelope polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 856 100.00 100.00 4.25e-05 . . . . 15605 1 27 no GB AAA44221 . "envelope polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 852 100.00 100.00 4.36e-05 . . . . 15605 1 28 no GB AAA44661 . "envelope protein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 851 100.00 100.00 4.28e-05 . . . . 15605 1 29 no GB AAA44679 . "envelope polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 856 100.00 100.00 4.25e-05 . . . . 15605 1 30 no PIR VCLJSC . "env polyprotein precursor - human immunodeficiency virus type 1 (isolate SC)" . . . . . 100.00 861 100.00 100.00 4.09e-05 . . . . 15605 1 31 no PRF 1102247A . "protein env-lor" . . . . . 100.00 863 100.00 100.00 4.06e-05 . . . . 15605 1 32 no REF NP_057856 . "Envelope surface glycoprotein gp160, precursor [Human immunodeficiency virus 1]" . . . . . 100.00 856 100.00 100.00 4.09e-05 . . . . 15605 1 33 no REF NP_579895 . "Envelope transmembrane glycoprotein gp41 [Human immunodeficiency virus 1]" . . . . . 100.00 345 100.00 100.00 4.60e-04 . . . . 15605 1 34 no SP P03375 . "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" . . . . . 100.00 856 100.00 100.00 4.25e-05 . . . . 15605 1 35 no SP P03377 . "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" . . . . . 100.00 861 100.00 100.00 4.17e-05 . . . . 15605 1 36 no SP P04578 . "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" . . . . . 100.00 856 100.00 100.00 4.09e-05 . . . . 15605 1 37 no SP P04582 . "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" . . . . . 100.00 851 100.00 100.00 4.28e-05 . . . . 15605 1 38 no SP P04624 . "RecName: Full=Envelope glycoprotein gp160; AltName: Full=Env polyprotein; Contains: RecName: Full=Surface protein gp120; Short=" . . . . . 100.00 856 100.00 100.00 4.25e-05 . . . . 15605 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15605 1 AIDS SWS-KEYWORD 15605 1 Apoptosis SWS-KEYWORD 15605 1 'Cleavage on pair of basic residues' SWS-KEYWORD 15605 1 'Coiled coil' SWS-KEYWORD 15605 1 'Envelope glycoprotein gp160' RCSB_NAME 15605 1 'Envelope protein' SWS-KEYWORD 15605 1 'Env polyprotein' . 15605 1 'Fusion protein' SWS-KEYWORD 15605 1 Glycoprotein SWS-KEYWORD 15605 1 'Host-virus interaction' SWS-KEYWORD 15605 1 Lipoprotein SWS-KEYWORD 15605 1 Membrane SWS-KEYWORD 15605 1 Palmitate SWS-KEYWORD 15605 1 Signal SWS-KEYWORD 15605 1 Transmembrane SWS-KEYWORD 15605 1 'Viral immunoevasion' SWS-KEYWORD 15605 1 'Virion protein' SWS-KEYWORD 15605 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 . GLU . 15605 1 2 . LEU . 15605 1 3 . ASP . 15605 1 4 . LYS . 15605 1 5 . TRP . 15605 1 6 . ALA . 15605 1 7 . SER . 15605 1 8 . LEU . 15605 1 9 . TRP . 15605 1 10 . ASN . 15605 1 11 . TRP . 15605 1 12 . PHE . 15605 1 13 . ASN . 15605 1 14 . ILE . 15605 1 15 . THR . 15605 1 16 . ASN . 15605 1 17 . TRP . 15605 1 18 . LEU . 15605 1 19 . TRP . 15605 1 20 . TYR . 15605 1 21 . ILE . 15605 1 22 . LYS . 15605 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 . GLU 1 1 15605 1 . LEU 2 2 15605 1 . ASP 3 3 15605 1 . LYS 4 4 15605 1 . TRP 5 5 15605 1 . ALA 6 6 15605 1 . SER 7 7 15605 1 . LEU 8 8 15605 1 . TRP 9 9 15605 1 . ASN 10 10 15605 1 . TRP 11 11 15605 1 . PHE 12 12 15605 1 . ASN 13 13 15605 1 . ILE 14 14 15605 1 . THR 15 15 15605 1 . ASN 16 16 15605 1 . TRP 17 17 15605 1 . LEU 18 18 15605 1 . TRP 19 19 15605 1 . TYR 20 20 15605 1 . ILE 21 21 15605 1 . LYS 22 22 15605 1 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 15605 _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 $mper . 11676 organism . 'Human immunodeficiency virus type 1' HIV-1 . . Viruses . Lentivirus HIV-1 HXB2 . . . . . . . . . . . . . . . env . . . . 15605 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 15605 _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 $mper . 'recombinant technology' 'Escherichia coli' bacteria . . Escherichia coli BL21(DE3) . . . . . . . . . . . . PLASMID . . pET30a 'peptide cleaved from N-terminal GB1-fusioned construct by CNBr' . . 'mper petpide is cleaved by CNBr method from an N-terminal GB1 fusion tag' . . 15605 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15605 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM U-15N,13C MPER + 100mM d38 DPC, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 mper '[U-100% 13C; U-100% 15N]' . . 1 $mper . . 1 . . mM . . . . 15605 1 2 DPC-d38 . . . . . . . 100 . . mM . . . . 15605 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15605 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM U-15N MPER + 100mM d38 DPC, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 mper '[U-100% 15N]' . . 1 $mper . . 1 . . mM . . . . 15605 2 2 DPC-d38 . . . . . . . 100 . . mM . . . . 15605 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15605 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM unlabeled MPER + 100mM d38 DPC, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 mper 'natural abundance' . . 1 $mper . . 1 . . mM . . . . 15605 3 2 DPC-d38 . . . . . . . 100 . . mM . . . . 15605 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15605 _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 'ionic strength' 0 . mM 15605 1 pH 6.6 . pH 15605 1 pressure 1 . atm 15605 1 temperature 308 . K 15605 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 15605 _Software.ID 1 _Software.Name PROSA _Software.Version 6.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 15605 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15605 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15605 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 15605 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15605 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15605 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 15605 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15605 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 15605 _Software.ID 4 _Software.Name X-PLOR _Software.Version xplor-nih-2.9.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Schwieters' . . 15605 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15605 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15605 _Software.ID 5 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Cornilescu . . 15605 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15605 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15605 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15605 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15605 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15605 _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 spectrometer_1 Bruker AVANCE . 750 . . . 15605 1 2 spectrometer_2 Bruker AVANCE . 600 . . . 15605 1 3 spectrometer_3 Bruker AVANCE . 500 . . . 15605 1 4 spectrometer_4 Varian INOVA . 600 . . . 15605 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 15605 _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 'triple resonance backbone experiments' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 3 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 4 '2D NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 5 HNHA no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 6 HNHB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 7 '3D_15N-separated N(H)-NH NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15605 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15605 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15605 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15605 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15605 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 'triple resonance backbone experiments' . . . 15605 1 4 '2D NOESY' . . . 15605 1 8 '2D 1H-13C HSQC' . . . 15605 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15605 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 1 1 GLU HA H 1 4.050 0.000 . 1 . . . . 1 GLU HA . 15605 1 2 . 1 1 1 1 GLU HB2 H 1 2.150 0.000 . 2 . . . . 1 GLU HB2 . 15605 1 3 . 1 1 1 1 GLU HB3 H 1 2.100 0.000 . 2 . . . . 1 GLU HB3 . 15605 1 4 . 1 1 1 1 GLU HG2 H 1 2.390 0.000 . 1 . . . . 1 GLU HG2 . 15605 1 5 . 1 1 1 1 GLU CA C 13 55.910 0.000 . 1 . . . . 1 GLU CA . 15605 1 6 . 1 1 1 1 GLU CB C 13 30.750 0.000 . 1 . . . . 1 GLU CB . 15605 1 7 . 1 1 1 1 GLU CG C 13 35.990 0.000 . 1 . . . . 1 GLU CG . 15605 1 8 . 1 1 2 2 LEU HA H 1 4.360 0.000 . 1 . . . . 2 LEU HA . 15605 1 9 . 1 1 2 2 LEU HB2 H 1 1.680 0.000 . 2 . . . . 2 LEU HB2 . 15605 1 10 . 1 1 2 2 LEU HB3 H 1 1.660 0.000 . 2 . . . . 2 LEU HB3 . 15605 1 11 . 1 1 2 2 LEU HG H 1 1.680 0.000 . 1 . . . . 2 LEU HG . 15605 1 12 . 1 1 2 2 LEU C C 13 176.720 0.000 . 1 . . . . 2 LEU C . 15605 1 13 . 1 1 2 2 LEU CA C 13 55.880 0.000 . 1 . . . . 2 LEU CA . 15605 1 14 . 1 1 2 2 LEU CB C 13 42.330 0.000 . 1 . . . . 2 LEU CB . 15605 1 15 . 1 1 2 2 LEU CD1 C 13 24.930 0.000 . 1 . . . . 2 LEU CD1 . 15605 1 16 . 1 1 2 2 LEU CD2 C 13 24.040 0.000 . 1 . . . . 2 LEU CD2 . 15605 1 17 . 1 1 2 2 LEU CG C 13 27.120 0.000 . 1 . . . . 2 LEU CG . 15605 1 18 . 1 1 3 3 ASP H H 1 8.510 0.000 . 1 . . . . 3 ASP H . 15605 1 19 . 1 1 3 3 ASP HA H 1 4.550 0.000 . 1 . . . . 3 ASP HA . 15605 1 20 . 1 1 3 3 ASP HB2 H 1 2.760 0.000 . 1 . . . . 3 ASP HB2 . 15605 1 21 . 1 1 3 3 ASP C C 13 177.160 0.000 . 1 . . . . 3 ASP C . 15605 1 22 . 1 1 3 3 ASP CA C 13 54.690 0.000 . 1 . . . . 3 ASP CA . 15605 1 23 . 1 1 3 3 ASP CB C 13 41.160 0.000 . 1 . . . . 3 ASP CB . 15605 1 24 . 1 1 3 3 ASP N N 15 120.830 0.000 . 1 . . . . 3 ASP N . 15605 1 25 . 1 1 4 4 LYS H H 1 8.370 0.000 . 1 . . . . 4 LYS H . 15605 1 26 . 1 1 4 4 LYS HA H 1 4.070 0.000 . 1 . . . . 4 LYS HA . 15605 1 27 . 1 1 4 4 LYS HB2 H 1 1.660 0.000 . 2 . . . . 4 LYS HB2 . 15605 1 28 . 1 1 4 4 LYS HB3 H 1 1.610 0.000 . 2 . . . . 4 LYS HB3 . 15605 1 29 . 1 1 4 4 LYS HD2 H 1 1.520 0.000 . 1 . . . . 4 LYS HD2 . 15605 1 30 . 1 1 4 4 LYS HE2 H 1 2.820 0.000 . 1 . . . . 4 LYS HE2 . 15605 1 31 . 1 1 4 4 LYS HG3 H 1 1.120 0.000 . 2 . . . . 4 LYS HG3 . 15605 1 32 . 1 1 4 4 LYS C C 13 177.440 0.000 . 1 . . . . 4 LYS C . 15605 1 33 . 1 1 4 4 LYS CA C 13 58.260 0.000 . 1 . . . . 4 LYS CA . 15605 1 34 . 1 1 4 4 LYS CB C 13 32.340 0.000 . 1 . . . . 4 LYS CB . 15605 1 35 . 1 1 4 4 LYS CD C 13 29.070 0.000 . 1 . . . . 4 LYS CD . 15605 1 36 . 1 1 4 4 LYS CE C 13 41.790 0.000 . 1 . . . . 4 LYS CE . 15605 1 37 . 1 1 4 4 LYS CG C 13 24.430 0.000 . 1 . . . . 4 LYS CG . 15605 1 38 . 1 1 4 4 LYS N N 15 121.230 0.000 . 1 . . . . 4 LYS N . 15605 1 39 . 1 1 5 5 TRP H H 1 8.040 0.000 . 1 . . . . 5 TRP H . 15605 1 40 . 1 1 5 5 TRP HA H 1 4.560 0.000 . 1 . . . . 5 TRP HA . 15605 1 41 . 1 1 5 5 TRP HB2 H 1 3.320 0.000 . 2 . . . . 5 TRP HB2 . 15605 1 42 . 1 1 5 5 TRP HB3 H 1 3.420 0.000 . 2 . . . . 5 TRP HB3 . 15605 1 43 . 1 1 5 5 TRP HD1 H 1 7.410 0.000 . 1 . . . . 5 TRP HD1 . 15605 1 44 . 1 1 5 5 TRP HE1 H 1 10.650 0.000 . 1 . . . . 5 TRP HE1 . 15605 1 45 . 1 1 5 5 TRP HE3 H 1 7.530 0.000 . 1 . . . . 5 TRP HE3 . 15605 1 46 . 1 1 5 5 TRP HH2 H 1 7.090 0.000 . 1 . . . . 5 TRP HH2 . 15605 1 47 . 1 1 5 5 TRP HZ2 H 1 7.490 0.000 . 1 . . . . 5 TRP HZ2 . 15605 1 48 . 1 1 5 5 TRP HZ3 H 1 6.950 0.000 . 1 . . . . 5 TRP HZ3 . 15605 1 49 . 1 1 5 5 TRP C C 13 177.180 0.000 . 1 . . . . 5 TRP C . 15605 1 50 . 1 1 5 5 TRP CA C 13 58.510 0.000 . 1 . . . . 5 TRP CA . 15605 1 51 . 1 1 5 5 TRP CB C 13 29.220 0.000 . 1 . . . . 5 TRP CB . 15605 1 52 . 1 1 5 5 TRP CD1 C 13 127.580 0.000 . 1 . . . . 5 TRP CD1 . 15605 1 53 . 1 1 5 5 TRP CE3 C 13 120.860 0.000 . 1 . . . . 5 TRP CE3 . 15605 1 54 . 1 1 5 5 TRP CH2 C 13 123.870 0.000 . 1 . . . . 5 TRP CH2 . 15605 1 55 . 1 1 5 5 TRP CZ2 C 13 114.640 0.000 . 1 . . . . 5 TRP CZ2 . 15605 1 56 . 1 1 5 5 TRP CZ3 C 13 121.160 0.000 . 1 . . . . 5 TRP CZ3 . 15605 1 57 . 1 1 5 5 TRP N N 15 119.690 0.000 . 1 . . . . 5 TRP N . 15605 1 58 . 1 1 5 5 TRP NE1 N 15 129.800 0.000 . 1 . . . . 5 TRP NE1 . 15605 1 59 . 1 1 6 6 ALA H H 1 8.050 0.000 . 1 . . . . 6 ALA H . 15605 1 60 . 1 1 6 6 ALA HA H 1 4.120 0.000 . 1 . . . . 6 ALA HA . 15605 1 61 . 1 1 6 6 ALA HB1 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 62 . 1 1 6 6 ALA HB2 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 63 . 1 1 6 6 ALA HB3 H 1 1.540 0.000 . 1 . . . . 6 ALA HB . 15605 1 64 . 1 1 6 6 ALA C C 13 179.850 0.000 . 1 . . . . 6 ALA C . 15605 1 65 . 1 1 6 6 ALA CA C 13 55.020 0.000 . 1 . . . . 6 ALA CA . 15605 1 66 . 1 1 6 6 ALA CB C 13 18.670 0.000 . 1 . . . . 6 ALA CB . 15605 1 67 . 1 1 6 6 ALA N N 15 121.090 0.000 . 1 . . . . 6 ALA N . 15605 1 68 . 1 1 7 7 SER H H 1 8.120 0.000 . 1 . . . . 7 SER H . 15605 1 69 . 1 1 7 7 SER HA H 1 4.310 0.000 . 1 . . . . 7 SER HA . 15605 1 70 . 1 1 7 7 SER HB2 H 1 3.960 0.000 . 2 . . . . 7 SER HB2 . 15605 1 71 . 1 1 7 7 SER HB3 H 1 3.880 0.000 . 2 . . . . 7 SER HB3 . 15605 1 72 . 1 1 7 7 SER C C 13 176.110 0.000 . 1 . . . . 7 SER C . 15605 1 73 . 1 1 7 7 SER CA C 13 61.020 0.000 . 1 . . . . 7 SER CA . 15605 1 74 . 1 1 7 7 SER CB C 13 62.970 0.000 . 1 . . . . 7 SER CB . 15605 1 75 . 1 1 7 7 SER N N 15 112.430 0.000 . 1 . . . . 7 SER N . 15605 1 76 . 1 1 8 8 LEU H H 1 7.840 0.000 . 1 . . . . 8 LEU H . 15605 1 77 . 1 1 8 8 LEU HA H 1 4.120 0.000 . 1 . . . . 8 LEU HA . 15605 1 78 . 1 1 8 8 LEU HB2 H 1 1.750 0.000 . 2 . . . . 8 LEU HB2 . 15605 1 79 . 1 1 8 8 LEU HB3 H 1 1.650 0.000 . 2 . . . . 8 LEU HB3 . 15605 1 80 . 1 1 8 8 LEU HG H 1 1.660 0.000 . 1 . . . . 8 LEU HG . 15605 1 81 . 1 1 8 8 LEU C C 13 177.750 0.000 . 1 . . . . 8 LEU C . 15605 1 82 . 1 1 8 8 LEU CA C 13 57.770 0.000 . 1 . . . . 8 LEU CA . 15605 1 83 . 1 1 8 8 LEU CB C 13 42.040 0.000 . 1 . . . . 8 LEU CB . 15605 1 84 . 1 1 8 8 LEU CD1 C 13 25.240 0.000 . 1 . . . . 8 LEU CD1 . 15605 1 85 . 1 1 8 8 LEU CD2 C 13 24.630 0.000 . 1 . . . . 8 LEU CD2 . 15605 1 86 . 1 1 8 8 LEU CG C 13 27.140 0.000 . 1 . . . . 8 LEU CG . 15605 1 87 . 1 1 8 8 LEU N N 15 122.390 0.000 . 1 . . . . 8 LEU N . 15605 1 88 . 1 1 9 9 TRP H H 1 7.920 0.000 . 1 . . . . 9 TRP H . 15605 1 89 . 1 1 9 9 TRP HA H 1 4.620 0.000 . 1 . . . . 9 TRP HA . 15605 1 90 . 1 1 9 9 TRP HB2 H 1 3.270 0.000 . 2 . . . . 9 TRP HB2 . 15605 1 91 . 1 1 9 9 TRP HB3 H 1 3.440 0.000 . 2 . . . . 9 TRP HB3 . 15605 1 92 . 1 1 9 9 TRP HD1 H 1 7.280 0.000 . 1 . . . . 9 TRP HD1 . 15605 1 93 . 1 1 9 9 TRP HE1 H 1 10.270 0.000 . 1 . . . . 9 TRP HE1 . 15605 1 94 . 1 1 9 9 TRP HE3 H 1 7.590 0.000 . 1 . . . . 9 TRP HE3 . 15605 1 95 . 1 1 9 9 TRP HH2 H 1 7.080 0.000 . 1 . . . . 9 TRP HH2 . 15605 1 96 . 1 1 9 9 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 9 TRP HZ2 . 15605 1 97 . 1 1 9 9 TRP HZ3 H 1 6.940 0.000 . 1 . . . . 9 TRP HZ3 . 15605 1 98 . 1 1 9 9 TRP C C 13 177.420 0.000 . 1 . . . . 9 TRP C . 15605 1 99 . 1 1 9 9 TRP CA C 13 58.910 0.000 . 1 . . . . 9 TRP CA . 15605 1 100 . 1 1 9 9 TRP CB C 13 29.490 0.000 . 1 . . . . 9 TRP CB . 15605 1 101 . 1 1 9 9 TRP CD1 C 13 127.980 0.000 . 1 . . . . 9 TRP CD1 . 15605 1 102 . 1 1 9 9 TRP CE3 C 13 121.080 0.000 . 1 . . . . 9 TRP CE3 . 15605 1 103 . 1 1 9 9 TRP CH2 C 13 123.320 0.000 . 1 . . . . 9 TRP CH2 . 15605 1 104 . 1 1 9 9 TRP CZ2 C 13 114.600 0.000 . 1 . . . . 9 TRP CZ2 . 15605 1 105 . 1 1 9 9 TRP CZ3 C 13 121.400 0.000 . 1 . . . . 9 TRP CZ3 . 15605 1 106 . 1 1 9 9 TRP N N 15 117.390 0.000 . 1 . . . . 9 TRP N . 15605 1 107 . 1 1 9 9 TRP NE1 N 15 129.330 0.000 . 1 . . . . 9 TRP NE1 . 15605 1 108 . 1 1 10 10 ASN H H 1 8.050 0.000 . 1 . . . . 10 ASN H . 15605 1 109 . 1 1 10 10 ASN HA H 1 4.590 0.000 . 1 . . . . 10 ASN HA . 15605 1 110 . 1 1 10 10 ASN HB2 H 1 2.880 0.000 . 2 . . . . 10 ASN HB2 . 15605 1 111 . 1 1 10 10 ASN HB3 H 1 2.840 0.000 . 2 . . . . 10 ASN HB3 . 15605 1 112 . 1 1 10 10 ASN HD21 H 1 7.600 0.000 . 2 . . . . 10 ASN HD21 . 15605 1 113 . 1 1 10 10 ASN HD22 H 1 6.960 0.000 . 2 . . . . 10 ASN HD22 . 15605 1 114 . 1 1 10 10 ASN C C 13 176.450 0.000 . 1 . . . . 10 ASN C . 15605 1 115 . 1 1 10 10 ASN CA C 13 54.930 0.000 . 1 . . . . 10 ASN CA . 15605 1 116 . 1 1 10 10 ASN CB C 13 38.780 0.000 . 1 . . . . 10 ASN CB . 15605 1 117 . 1 1 10 10 ASN N N 15 115.570 0.000 . 1 . . . . 10 ASN N . 15605 1 118 . 1 1 10 10 ASN ND2 N 15 112.140 0.000 . 1 . . . . 10 ASN ND2 . 15605 1 119 . 1 1 11 11 TRP H H 1 8.040 0.000 . 1 . . . . 11 TRP H . 15605 1 120 . 1 1 11 11 TRP HA H 1 4.390 0.000 . 1 . . . . 11 TRP HA . 15605 1 121 . 1 1 11 11 TRP HB2 H 1 3.320 0.000 . 1 . . . . 11 TRP HB2 . 15605 1 122 . 1 1 11 11 TRP HD1 H 1 7.240 0.000 . 1 . . . . 11 TRP HD1 . 15605 1 123 . 1 1 11 11 TRP HE1 H 1 10.430 0.000 . 1 . . . . 11 TRP HE1 . 15605 1 124 . 1 1 11 11 TRP HE3 H 1 7.330 0.000 . 1 . . . . 11 TRP HE3 . 15605 1 125 . 1 1 11 11 TRP HH2 H 1 7.070 0.000 . 1 . . . . 11 TRP HH2 . 15605 1 126 . 1 1 11 11 TRP HZ2 H 1 7.440 0.000 . 1 . . . . 11 TRP HZ2 . 15605 1 127 . 1 1 11 11 TRP HZ3 H 1 6.900 0.000 . 1 . . . . 11 TRP HZ3 . 15605 1 128 . 1 1 11 11 TRP C C 13 176.660 0.000 . 1 . . . . 11 TRP C . 15605 1 129 . 1 1 11 11 TRP CA C 13 59.580 0.000 . 1 . . . . 11 TRP CA . 15605 1 130 . 1 1 11 11 TRP CB C 13 29.410 0.000 . 1 . . . . 11 TRP CB . 15605 1 131 . 1 1 11 11 TRP CD1 C 13 126.830 0.000 . 1 . . . . 11 TRP CD1 . 15605 1 132 . 1 1 11 11 TRP CE3 C 13 120.950 0.000 . 1 . . . . 11 TRP CE3 . 15605 1 133 . 1 1 11 11 TRP CH2 C 13 123.810 0.000 . 1 . . . . 11 TRP CH2 . 15605 1 134 . 1 1 11 11 TRP CZ2 C 13 114.470 0.000 . 1 . . . . 11 TRP CZ2 . 15605 1 135 . 1 1 11 11 TRP CZ3 C 13 120.620 0.000 . 1 . . . . 11 TRP CZ3 . 15605 1 136 . 1 1 11 11 TRP N N 15 120.370 0.000 . 1 . . . . 11 TRP N . 15605 1 137 . 1 1 11 11 TRP NE1 N 15 129.700 0.000 . 1 . . . . 11 TRP NE1 . 15605 1 138 . 1 1 12 12 PHE H H 1 7.950 0.000 . 1 . . . . 12 PHE H . 15605 1 139 . 1 1 12 12 PHE HA H 1 4.270 0.000 . 1 . . . . 12 PHE HA . 15605 1 140 . 1 1 12 12 PHE HB2 H 1 2.970 0.000 . 2 . . . . 12 PHE HB2 . 15605 1 141 . 1 1 12 12 PHE HB3 H 1 3.120 0.000 . 2 . . . . 12 PHE HB3 . 15605 1 142 . 1 1 12 12 PHE HD1 H 1 7.220 0.000 . 1 . . . . 12 PHE HD1 . 15605 1 143 . 1 1 12 12 PHE HE1 H 1 7.180 0.000 . 1 . . . . 12 PHE HE1 . 15605 1 144 . 1 1 12 12 PHE HZ H 1 7.100 0.000 . 1 . . . . 12 PHE HZ . 15605 1 145 . 1 1 12 12 PHE C C 13 175.070 0.000 . 1 . . . . 12 PHE C . 15605 1 146 . 1 1 12 12 PHE CA C 13 58.870 0.000 . 1 . . . . 12 PHE CA . 15605 1 147 . 1 1 12 12 PHE CB C 13 39.250 0.000 . 1 . . . . 12 PHE CB . 15605 1 148 . 1 1 12 12 PHE CD1 C 13 131.760 0.000 . 1 . . . . 12 PHE CD1 . 15605 1 149 . 1 1 12 12 PHE CE1 C 13 131.340 0.000 . 1 . . . . 12 PHE CE1 . 15605 1 150 . 1 1 12 12 PHE CZ C 13 128.950 0.000 . 1 . . . . 12 PHE CZ . 15605 1 151 . 1 1 12 12 PHE N N 15 117.180 0.000 . 1 . . . . 12 PHE N . 15605 1 152 . 1 1 13 13 ASN H H 1 7.760 0.000 . 1 . . . . 13 ASN H . 15605 1 153 . 1 1 13 13 ASN HA H 1 4.600 0.000 . 1 . . . . 13 ASN HA . 15605 1 154 . 1 1 13 13 ASN HB2 H 1 2.860 0.000 . 2 . . . . 13 ASN HB2 . 15605 1 155 . 1 1 13 13 ASN HB3 H 1 2.630 0.000 . 2 . . . . 13 ASN HB3 . 15605 1 156 . 1 1 13 13 ASN HD21 H 1 7.550 0.000 . 2 . . . . 13 ASN HD21 . 15605 1 157 . 1 1 13 13 ASN HD22 H 1 6.610 0.000 . 2 . . . . 13 ASN HD22 . 15605 1 158 . 1 1 13 13 ASN C C 13 175.950 0.000 . 1 . . . . 13 ASN C . 15605 1 159 . 1 1 13 13 ASN CA C 13 53.320 0.000 . 1 . . . . 13 ASN CA . 15605 1 160 . 1 1 13 13 ASN CB C 13 38.370 0.000 . 1 . . . . 13 ASN CB . 15605 1 161 . 1 1 13 13 ASN N N 15 117.890 0.000 . 1 . . . . 13 ASN N . 15605 1 162 . 1 1 13 13 ASN ND2 N 15 111.380 0.000 . 1 . . . . 13 ASN ND2 . 15605 1 163 . 1 1 14 14 ILE H H 1 8.030 0.000 . 1 . . . . 14 ILE H . 15605 1 164 . 1 1 14 14 ILE HA H 1 3.760 0.000 . 1 . . . . 14 ILE HA . 15605 1 165 . 1 1 14 14 ILE HG12 H 1 1.400 0.000 . 2 . . . . 14 ILE HG12 . 15605 1 166 . 1 1 14 14 ILE HG13 H 1 1.170 0.000 . 2 . . . . 14 ILE HG13 . 15605 1 167 . 1 1 14 14 ILE HG21 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 168 . 1 1 14 14 ILE HG22 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 169 . 1 1 14 14 ILE HG23 H 1 0.800 0.000 . 1 . . . . 14 ILE HG2 . 15605 1 170 . 1 1 14 14 ILE C C 13 176.600 0.000 . 1 . . . . 14 ILE C . 15605 1 171 . 1 1 14 14 ILE CA C 13 63.030 0.000 . 1 . . . . 14 ILE CA . 15605 1 172 . 1 1 14 14 ILE CB C 13 38.230 0.000 . 1 . . . . 14 ILE CB . 15605 1 173 . 1 1 14 14 ILE CD1 C 13 13.670 0.000 . 1 . . . . 14 ILE CD1 . 15605 1 174 . 1 1 14 14 ILE CG1 C 13 28.170 0.000 . 1 . . . . 14 ILE CG1 . 15605 1 175 . 1 1 14 14 ILE CG2 C 13 17.730 0.000 . 1 . . . . 14 ILE CG2 . 15605 1 176 . 1 1 14 14 ILE N N 15 119.140 0.000 . 1 . . . . 14 ILE N . 15605 1 177 . 1 1 15 15 THR H H 1 7.890 0.000 . 1 . . . . 15 THR H . 15605 1 178 . 1 1 15 15 THR HA H 1 3.930 0.000 . 1 . . . . 15 THR HA . 15605 1 179 . 1 1 15 15 THR HG21 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 180 . 1 1 15 15 THR HG22 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 181 . 1 1 15 15 THR HG23 H 1 1.070 0.000 . 1 . . . . 15 THR HG2 . 15605 1 182 . 1 1 15 15 THR C C 13 175.480 0.000 . 1 . . . . 15 THR C . 15605 1 183 . 1 1 15 15 THR CA C 13 64.970 0.000 . 1 . . . . 15 THR CA . 15605 1 184 . 1 1 15 15 THR CB C 13 68.720 0.000 . 1 . . . . 15 THR CB . 15605 1 185 . 1 1 15 15 THR CG2 C 13 21.840 0.000 . 1 . . . . 15 THR CG2 . 15605 1 186 . 1 1 15 15 THR N N 15 114.190 0.000 . 1 . . . . 15 THR N . 15605 1 187 . 1 1 16 16 ASN H H 1 7.900 0.000 . 1 . . . . 16 ASN H . 15605 1 188 . 1 1 16 16 ASN HA H 1 4.600 0.000 . 1 . . . . 16 ASN HA . 15605 1 189 . 1 1 16 16 ASN HB2 H 1 2.700 0.000 . 1 . . . . 16 ASN HB2 . 15605 1 190 . 1 1 16 16 ASN HD21 H 1 7.510 0.000 . 2 . . . . 16 ASN HD21 . 15605 1 191 . 1 1 16 16 ASN HD22 H 1 6.760 0.000 . 2 . . . . 16 ASN HD22 . 15605 1 192 . 1 1 16 16 ASN C C 13 175.980 0.000 . 1 . . . . 16 ASN C . 15605 1 193 . 1 1 16 16 ASN CA C 13 54.550 0.000 . 1 . . . . 16 ASN CA . 15605 1 194 . 1 1 16 16 ASN CB C 13 38.220 0.000 . 1 . . . . 16 ASN CB . 15605 1 195 . 1 1 16 16 ASN N N 15 118.860 0.000 . 1 . . . . 16 ASN N . 15605 1 196 . 1 1 16 16 ASN ND2 N 15 111.760 0.000 . 1 . . . . 16 ASN ND2 . 15605 1 197 . 1 1 17 17 TRP H H 1 7.820 0.000 . 1 . . . . 17 TRP H . 15605 1 198 . 1 1 17 17 TRP HA H 1 4.640 0.000 . 1 . . . . 17 TRP HA . 15605 1 199 . 1 1 17 17 TRP HB2 H 1 3.370 0.000 . 2 . . . . 17 TRP HB2 . 15605 1 200 . 1 1 17 17 TRP HB3 H 1 3.270 0.000 . 2 . . . . 17 TRP HB3 . 15605 1 201 . 1 1 17 17 TRP HD1 H 1 7.220 0.000 . 1 . . . . 17 TRP HD1 . 15605 1 202 . 1 1 17 17 TRP HE1 H 1 10.280 0.000 . 1 . . . . 17 TRP HE1 . 15605 1 203 . 1 1 17 17 TRP HE3 H 1 7.450 0.000 . 1 . . . . 17 TRP HE3 . 15605 1 204 . 1 1 17 17 TRP HH2 H 1 7.020 0.000 . 1 . . . . 17 TRP HH2 . 15605 1 205 . 1 1 17 17 TRP HZ2 H 1 7.360 0.000 . 1 . . . . 17 TRP HZ2 . 15605 1 206 . 1 1 17 17 TRP HZ3 H 1 6.930 0.000 . 1 . . . . 17 TRP HZ3 . 15605 1 207 . 1 1 17 17 TRP C C 13 176.880 0.000 . 1 . . . . 17 TRP C . 15605 1 208 . 1 1 17 17 TRP CA C 13 58.570 0.000 . 1 . . . . 17 TRP CA . 15605 1 209 . 1 1 17 17 TRP CB C 13 29.400 0.000 . 1 . . . . 17 TRP CB . 15605 1 210 . 1 1 17 17 TRP CD1 C 13 126.750 0.000 . 1 . . . . 17 TRP CD1 . 15605 1 211 . 1 1 17 17 TRP CE3 C 13 120.940 0.000 . 1 . . . . 17 TRP CE3 . 15605 1 212 . 1 1 17 17 TRP CH2 C 13 123.890 0.000 . 1 . . . . 17 TRP CH2 . 15605 1 213 . 1 1 17 17 TRP CZ2 C 13 114.410 0.000 . 1 . . . . 17 TRP CZ2 . 15605 1 214 . 1 1 17 17 TRP CZ3 C 13 121.350 0.000 . 1 . . . . 17 TRP CZ3 . 15605 1 215 . 1 1 17 17 TRP N N 15 119.170 0.000 . 1 . . . . 17 TRP N . 15605 1 216 . 1 1 17 17 TRP NE1 N 15 129.130 0.000 . 1 . . . . 17 TRP NE1 . 15605 1 217 . 1 1 18 18 LEU H H 1 7.790 0.000 . 1 . . . . 18 LEU H . 15605 1 218 . 1 1 18 18 LEU HA H 1 4.050 0.000 . 1 . . . . 18 LEU HA . 15605 1 219 . 1 1 18 18 LEU HB2 H 1 1.610 0.000 . 2 . . . . 18 LEU HB2 . 15605 1 220 . 1 1 18 18 LEU HB3 H 1 1.410 0.000 . 2 . . . . 18 LEU HB3 . 15605 1 221 . 1 1 18 18 LEU HG H 1 1.650 0.000 . 1 . . . . 18 LEU HG . 15605 1 222 . 1 1 18 18 LEU C C 13 177.460 0.000 . 1 . . . . 18 LEU C . 15605 1 223 . 1 1 18 18 LEU CA C 13 56.730 0.000 . 1 . . . . 18 LEU CA . 15605 1 224 . 1 1 18 18 LEU CB C 13 41.740 0.000 . 1 . . . . 18 LEU CB . 15605 1 225 . 1 1 18 18 LEU CD1 C 13 25.100 0.000 . 1 . . . . 18 LEU CD1 . 15605 1 226 . 1 1 18 18 LEU CD2 C 13 23.620 0.000 . 1 . . . . 18 LEU CD2 . 15605 1 227 . 1 1 18 18 LEU CG C 13 26.820 0.000 . 1 . . . . 18 LEU CG . 15605 1 228 . 1 1 18 18 LEU N N 15 117.640 0.000 . 1 . . . . 18 LEU N . 15605 1 229 . 1 1 19 19 TRP H H 1 7.560 0.000 . 1 . . . . 19 TRP H . 15605 1 230 . 1 1 19 19 TRP HA H 1 4.350 0.000 . 1 . . . . 19 TRP HA . 15605 1 231 . 1 1 19 19 TRP HB2 H 1 3.270 0.000 . 2 . . . . 19 TRP HB2 . 15605 1 232 . 1 1 19 19 TRP HB3 H 1 3.160 0.000 . 2 . . . . 19 TRP HB3 . 15605 1 233 . 1 1 19 19 TRP HD1 H 1 7.090 0.000 . 1 . . . . 19 TRP HD1 . 15605 1 234 . 1 1 19 19 TRP HE1 H 1 10.200 0.000 . 1 . . . . 19 TRP HE1 . 15605 1 235 . 1 1 19 19 TRP HE3 H 1 7.290 0.000 . 1 . . . . 19 TRP HE3 . 15605 1 236 . 1 1 19 19 TRP HH2 H 1 7.180 0.000 . 1 . . . . 19 TRP HH2 . 15605 1 237 . 1 1 19 19 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 19 TRP HZ2 . 15605 1 238 . 1 1 19 19 TRP HZ3 H 1 7.040 0.000 . 1 . . . . 19 TRP HZ3 . 15605 1 239 . 1 1 19 19 TRP C C 13 176.340 0.000 . 1 . . . . 19 TRP C . 15605 1 240 . 1 1 19 19 TRP CA C 13 58.910 0.000 . 1 . . . . 19 TRP CA . 15605 1 241 . 1 1 19 19 TRP CB C 13 29.170 0.000 . 1 . . . . 19 TRP CB . 15605 1 242 . 1 1 19 19 TRP CD1 C 13 127.310 0.000 . 1 . . . . 19 TRP CD1 . 15605 1 243 . 1 1 19 19 TRP CE3 C 13 121.030 0.000 . 1 . . . . 19 TRP CE3 . 15605 1 244 . 1 1 19 19 TRP CH2 C 13 124.360 0.000 . 1 . . . . 19 TRP CH2 . 15605 1 245 . 1 1 19 19 TRP CZ2 C 13 114.700 0.000 . 1 . . . . 19 TRP CZ2 . 15605 1 246 . 1 1 19 19 TRP CZ3 C 13 121.330 0.000 . 1 . . . . 19 TRP CZ3 . 15605 1 247 . 1 1 19 19 TRP N N 15 117.360 0.000 . 1 . . . . 19 TRP N . 15605 1 248 . 1 1 19 19 TRP NE1 N 15 129.580 0.000 . 1 . . . . 19 TRP NE1 . 15605 1 249 . 1 1 20 20 TYR H H 1 7.480 0.000 . 1 . . . . 20 TYR H . 15605 1 250 . 1 1 20 20 TYR HA H 1 4.160 0.000 . 1 . . . . 20 TYR HA . 15605 1 251 . 1 1 20 20 TYR HB2 H 1 3.010 0.000 . 2 . . . . 20 TYR HB2 . 15605 1 252 . 1 1 20 20 TYR HB3 H 1 2.890 0.000 . 2 . . . . 20 TYR HB3 . 15605 1 253 . 1 1 20 20 TYR HD1 H 1 7.140 0.000 . 1 . . . . 20 TYR HD1 . 15605 1 254 . 1 1 20 20 TYR HE1 H 1 6.840 0.000 . 1 . . . . 20 TYR HE1 . 15605 1 255 . 1 1 20 20 TYR C C 13 175.560 0.000 . 1 . . . . 20 TYR C . 15605 1 256 . 1 1 20 20 TYR CA C 13 59.770 0.000 . 1 . . . . 20 TYR CA . 15605 1 257 . 1 1 20 20 TYR CB C 13 39.070 0.000 . 1 . . . . 20 TYR CB . 15605 1 258 . 1 1 20 20 TYR CD1 C 13 133.080 0.000 . 1 . . . . 20 TYR CD1 . 15605 1 259 . 1 1 20 20 TYR CE1 C 13 118.280 0.000 . 1 . . . . 20 TYR CE1 . 15605 1 260 . 1 1 20 20 TYR N N 15 115.850 0.000 . 1 . . . . 20 TYR N . 15605 1 261 . 1 1 21 21 ILE H H 1 7.500 0.000 . 1 . . . . 21 ILE H . 15605 1 262 . 1 1 21 21 ILE HA H 1 4.210 0.000 . 1 . . . . 21 ILE HA . 15605 1 263 . 1 1 21 21 ILE HG12 H 1 1.500 0.000 . 2 . . . . 21 ILE HG12 . 15605 1 264 . 1 1 21 21 ILE HG13 H 1 1.260 0.000 . 2 . . . . 21 ILE HG13 . 15605 1 265 . 1 1 21 21 ILE HG21 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 266 . 1 1 21 21 ILE HG22 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 267 . 1 1 21 21 ILE HG23 H 1 0.930 0.000 . 1 . . . . 21 ILE HG2 . 15605 1 268 . 1 1 21 21 ILE C C 13 174.200 0.000 . 1 . . . . 21 ILE C . 15605 1 269 . 1 1 21 21 ILE CA C 13 61.100 0.000 . 1 . . . . 21 ILE CA . 15605 1 270 . 1 1 21 21 ILE CB C 13 38.810 0.000 . 1 . . . . 21 ILE CB . 15605 1 271 . 1 1 21 21 ILE CD1 C 13 13.760 0.000 . 1 . . . . 21 ILE CD1 . 15605 1 272 . 1 1 21 21 ILE CG1 C 13 27.270 0.000 . 1 . . . . 21 ILE CG1 . 15605 1 273 . 1 1 21 21 ILE CG2 C 13 18.210 0.000 . 1 . . . . 21 ILE CG2 . 15605 1 274 . 1 1 21 21 ILE N N 15 114.550 0.000 . 1 . . . . 21 ILE N . 15605 1 275 . 1 1 22 22 LYS H H 1 7.390 0.000 . 1 . . . . 22 LYS H . 15605 1 276 . 1 1 22 22 LYS HA H 1 4.120 0.000 . 1 . . . . 22 LYS HA . 15605 1 277 . 1 1 22 22 LYS HB2 H 1 1.770 0.000 . 2 . . . . 22 LYS HB2 . 15605 1 278 . 1 1 22 22 LYS HB3 H 1 1.700 0.000 . 2 . . . . 22 LYS HB3 . 15605 1 279 . 1 1 22 22 LYS HD2 H 1 1.630 0.000 . 1 . . . . 22 LYS HD2 . 15605 1 280 . 1 1 22 22 LYS HE2 H 1 2.910 0.000 . 1 . . . . 22 LYS HE2 . 15605 1 281 . 1 1 22 22 LYS HG2 H 1 1.400 0.000 . 1 . . . . 22 LYS HG2 . 15605 1 282 . 1 1 22 22 LYS C C 13 180.640 0.000 . 1 . . . . 22 LYS C . 15605 1 283 . 1 1 22 22 LYS CA C 13 57.670 0.000 . 1 . . . . 22 LYS CA . 15605 1 284 . 1 1 22 22 LYS CB C 13 33.850 0.000 . 1 . . . . 22 LYS CB . 15605 1 285 . 1 1 22 22 LYS CD C 13 29.240 0.000 . 1 . . . . 22 LYS CD . 15605 1 286 . 1 1 22 22 LYS CE C 13 42.060 0.000 . 1 . . . . 22 LYS CE . 15605 1 287 . 1 1 22 22 LYS CG C 13 24.700 0.000 . 1 . . . . 22 LYS CG . 15605 1 288 . 1 1 22 22 LYS N N 15 126.800 0.000 . 1 . . . . 22 LYS N . 15605 1 stop_ save_