data_18888 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18888 _Entry.Title ; EGFR transmembrane - juxtamembrane (TM-JM) segment in bicelles: MD guided NMR refined structure. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-11 _Entry.Accession_date 2012-12-11 _Entry.Last_release_date 2013-02-14 _Entry.Original_release_date 2013-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Nicolas Endres . F. . 18888 2 Rahul Das . . . 18888 3 Adam Smith . . . 18888 4 Anton Arkhipov . . . 18888 5 Erika Kovacs . . . 18888 6 Yongjian Huang . . . 18888 7 Jeffrey Pelton . G. . 18888 8 Yibing Shan . . . 18888 9 David Shaw . E. . 18888 10 David Wemmer . E. . 18888 11 Jay Groves . T. . 18888 12 John Kuriyan . . . 18888 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18888 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Cell Signaling' . 18888 EGFR . 18888 'EGF receptor' . 18888 Juxtamembrane . 18888 Transmembrane . 18888 'Tyrosine Kinase' . 18888 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18888 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 18888 '15N chemical shifts' 55 18888 '1H chemical shifts' 287 18888 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 . . 2013-02-14 2012-12-11 original author . 18888 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M20 'BMRB Entry Tracking System' 18888 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18888 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23374349 _Citation.Full_citation . _Citation.Title 'Conformational Coupling across the Plasma Membrane in Activation of the EGF Receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 152 _Citation.Journal_issue 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 543 _Citation.Page_last 556 _Citation.Year 2013 _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 Nicolas Endres . F. . 18888 1 2 Rahul Das . . . 18888 1 3 Adam Smith . . . 18888 1 4 Anton Arkhipov . . . 18888 1 5 Erika Kovacs . . . 18888 1 6 Yongjian Huang . . . 18888 1 7 Jeffrey Pelton . G. . 18888 1 8 Yibing Shan . . . 18888 1 9 David Shaw . E. . 18888 1 10 David Wemmer . E. . 18888 1 11 Jay Groves . T. . 18888 1 12 John Kuriyan . . . 18888 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 18888 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23374350 _Citation.Full_citation . _Citation.Title 'Architecture and Membrane Interactions of the EGF Receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 152 _Citation.Journal_issue 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 557 _Citation.Page_last 569 _Citation.Year 2013 _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 Anton Arkhipov . . . 18888 2 2 Yibing Shan . . . 18888 2 3 Rahul Das . . . 18888 2 4 Nicolas Endres . . . 18888 2 5 Michael Eastwood . P. . 18888 2 6 David Wemmer . E. . 18888 2 7 John Kuriyan . . . 18888 2 8 David Shaw . E. . 18888 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18888 _Assembly.ID 1 _Assembly.Name 'EGFR transmembrane - juxtamembrane (TM-JM) segment' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'EGFR transmembrane - juxtamembrane (TM-JM) segment, 1' 1 $EGFR_TM-JM A . yes native no no . . . 18888 1 2 'EGFR transmembrane - juxtamembrane (TM-JM) segment, 2' 1 $EGFR_TM-JM B . yes native no no . . . 18888 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EGFR_TM-JM _Entity.Sf_category entity _Entity.Sf_framecode EGFR_TM-JM _Entity.Entry_ID 18888 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EGFR_TM-JM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KIPSIATGLVGALLLLLVVA LGIGLFIRRRHIVRKRTLRR LLQERELVEPLTPSGEKLWS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The monomer starts from 1-60 (Chain A) and 61-120 (Chain B) which corresponds to residue numbers 618-673 in EGFR' _Entity.Polymer_author_seq_details 'Residues at the C-terminus(KLWS)represent a non-native tag' _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'EGFR Transmembrane - Juxtamembrane segment' _Entity.Mutation ; M9L (M626 in native sequence) M27I (M644 in native sequence) ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6779.323 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP P00533 . "Epidermal growth factor receptor" . . . . . . . . . . . . . . 18888 1 2 no PDB 2M20 . "Egfr Transmembrane - Juxtamembrane (tm-jm) Segment In Bicelles: Md Guided Nmr Refined Structure" . . . . . 100.00 60 100.00 100.00 3.19e-30 . . . . 18888 1 3 no REF XP_009241058 . "PREDICTED: epidermal growth factor receptor-like [Pongo abelii]" . . . . . 56.67 185 97.06 100.00 6.43e-12 . . . . 18888 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 . LYS . 18888 1 2 . ILE . 18888 1 3 . PRO . 18888 1 4 . SER . 18888 1 5 . ILE . 18888 1 6 . ALA . 18888 1 7 . THR . 18888 1 8 . GLY . 18888 1 9 . LEU . 18888 1 10 . VAL . 18888 1 11 . GLY . 18888 1 12 . ALA . 18888 1 13 . LEU . 18888 1 14 . LEU . 18888 1 15 . LEU . 18888 1 16 . LEU . 18888 1 17 . LEU . 18888 1 18 . VAL . 18888 1 19 . VAL . 18888 1 20 . ALA . 18888 1 21 . LEU . 18888 1 22 . GLY . 18888 1 23 . ILE . 18888 1 24 . GLY . 18888 1 25 . LEU . 18888 1 26 . PHE . 18888 1 27 . ILE . 18888 1 28 . ARG . 18888 1 29 . ARG . 18888 1 30 . ARG . 18888 1 31 . HIS . 18888 1 32 . ILE . 18888 1 33 . VAL . 18888 1 34 . ARG . 18888 1 35 . LYS . 18888 1 36 . ARG . 18888 1 37 . THR . 18888 1 38 . LEU . 18888 1 39 . ARG . 18888 1 40 . ARG . 18888 1 41 . LEU . 18888 1 42 . LEU . 18888 1 43 . GLN . 18888 1 44 . GLU . 18888 1 45 . ARG . 18888 1 46 . GLU . 18888 1 47 . LEU . 18888 1 48 . VAL . 18888 1 49 . GLU . 18888 1 50 . PRO . 18888 1 51 . LEU . 18888 1 52 . THR . 18888 1 53 . PRO . 18888 1 54 . SER . 18888 1 55 . GLY . 18888 1 56 . GLU . 18888 1 57 . LYS . 18888 1 58 . LEU . 18888 1 59 . TRP . 18888 1 60 . SER . 18888 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 . LYS 1 1 18888 1 . ILE 2 2 18888 1 . PRO 3 3 18888 1 . SER 4 4 18888 1 . ILE 5 5 18888 1 . ALA 6 6 18888 1 . THR 7 7 18888 1 . GLY 8 8 18888 1 . LEU 9 9 18888 1 . VAL 10 10 18888 1 . GLY 11 11 18888 1 . ALA 12 12 18888 1 . LEU 13 13 18888 1 . LEU 14 14 18888 1 . LEU 15 15 18888 1 . LEU 16 16 18888 1 . LEU 17 17 18888 1 . VAL 18 18 18888 1 . VAL 19 19 18888 1 . ALA 20 20 18888 1 . LEU 21 21 18888 1 . GLY 22 22 18888 1 . ILE 23 23 18888 1 . GLY 24 24 18888 1 . LEU 25 25 18888 1 . PHE 26 26 18888 1 . ILE 27 27 18888 1 . ARG 28 28 18888 1 . ARG 29 29 18888 1 . ARG 30 30 18888 1 . HIS 31 31 18888 1 . ILE 32 32 18888 1 . VAL 33 33 18888 1 . ARG 34 34 18888 1 . LYS 35 35 18888 1 . ARG 36 36 18888 1 . THR 37 37 18888 1 . LEU 38 38 18888 1 . ARG 39 39 18888 1 . ARG 40 40 18888 1 . LEU 41 41 18888 1 . LEU 42 42 18888 1 . GLN 43 43 18888 1 . GLU 44 44 18888 1 . ARG 45 45 18888 1 . GLU 46 46 18888 1 . LEU 47 47 18888 1 . VAL 48 48 18888 1 . GLU 49 49 18888 1 . PRO 50 50 18888 1 . LEU 51 51 18888 1 . THR 52 52 18888 1 . PRO 53 53 18888 1 . SER 54 54 18888 1 . GLY 55 55 18888 1 . GLU 56 56 18888 1 . LYS 57 57 18888 1 . LEU 58 58 18888 1 . TRP 59 59 18888 1 . SER 60 60 18888 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 18888 _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 $EGFR_TM-JM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18888 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 18888 _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 $EGFR_TM-JM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMMHb . . . . . . 18888 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18888 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'EGFR TM-JM' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $EGFR_TM-JM . . 0.300 . . mM . . . . 18888 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 18888 1 3 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 18888 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18888 1 5 AMESF 'natural abundance' . . . . . . 0.05 . . mM . . . . 18888 1 6 D2O [U-2H] . . . . . . 10 . . % . . . . 18888 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18888 1 8 'DMPC (D54)' '[U-99% 2H]' . . . . . . 9.4 . . mM . . . . 18888 1 9 'DHPC (D22)' '[U-99% 2H]' . . . . . . 37.98 . . mM . . . . 18888 1 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18888 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18888 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'EGFR TM-JM' '[U-100% 13C; U-100% 15N]' . . 1 $EGFR_TM-JM . . 0.300 . . mM . . . . 18888 2 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 18888 2 3 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 18888 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18888 2 5 AMESF 'natural abundance' . . . . . . 0.05 . . mM . . . . 18888 2 6 D2O [U-2H] . . . . . . 10 . . % . . . . 18888 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18888 2 8 'DMPC (D54)' '[U-99% 2H]' . . . . . . 9.4 . . mM . . . . 18888 2 9 'DHPC (D22)' '[U-99% 2H]' . . . . . . 37.98 . . mM . . . . 18888 2 10 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18888 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18888 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'EGFR TM-JM' 'natural abundance' . . 1 $EGFR_TM-JM . . 0.300 . . mM . . . . 18888 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 18888 3 3 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 18888 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18888 3 5 AMESF 'natural abundance' . . . . . . 0.05 . . mM . . . . 18888 3 6 D2O [U-2H] . . . . . . 10 . . % . . . . 18888 3 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18888 3 8 'DMPC (D54)' '[U-99% 2H]' . . . . . . 18.8 . . mM . . . . 18888 3 9 'DHPC (D22)' '[U-99% 2H]' . . . . . . 77.86 . . mM . . . . 18888 3 10 'EGFR TM-JM' 'natural abundance' . . . . . . 0.300 . . mM . . . . 18888 3 11 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18888 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 18888 _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' 0.05 . M 18888 1 pH 6.2 0.2 pH 18888 1 pressure 1 . atm 18888 1 temperature 312 . K 18888 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18888 _Software.ID 1 _Software.Name TOPSPIN _Software.Version v1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18888 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18888 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18888 _Software.ID 2 _Software.Name NMRDraw _Software.Version v3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18888 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18888 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18888 _Software.ID 3 _Software.Name NMRPipe _Software.Version v3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18888 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18888 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18888 _Software.ID 4 _Software.Name SPARKY _Software.Version v3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18888 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18888 4 'peak picking' 18888 4 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18888 _Software.ID 5 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax,' . . 18888 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18888 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18888 _Software.ID 6 _Software.Name CNS _Software.Version v1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18888 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18888 6 'structure solution' 18888 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18888 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18888 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18888 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18888 _Software.ID 8 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18888 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18888 8 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18888 _Software.ID 9 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18888 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18888 9 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 18888 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With CP-TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance-II _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18888 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'With TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18888 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'With CP-TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18888 _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-II . 900 'With CP-TCI probe' . . 18888 1 2 spectrometer_2 Bruker Avance . 800 'With TXI probe' . . 18888 1 3 spectrometer_3 Bruker Avance . 600 'With CP-TCI probe' . . 18888 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 18888 _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 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 11 '3D 15N-13C F1 filtered/F3 edited NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18888 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 18888 _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 na indirect 0.251449530 . . . . . . . . . 18888 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18888 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18888 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 18888 _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 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.200 _Assigned_chem_shift_list.Chem_shift_15N_err 0.150 _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 '2D 1H-15N HSQC' . . . 18888 1 2 '2D 1H-13C HSQC' . . . 18888 1 3 '3D HNCO' . . . 18888 1 4 '3D HNCA' . . . 18888 1 5 '3D HNCACB' . . . 18888 1 6 '3D HN(CO)CA' . . . 18888 1 7 '3D 1H-15N NOESY' . . . 18888 1 8 '3D 1H-13C NOESY' . . . 18888 1 9 '3D HCCH-COSY' . . . 18888 1 10 '3D HCCH-TOCSY' . . . 18888 1 12 '2D 1H-15N TROSY' . . . 18888 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 LYS C C 13 176.073 0.200 . 1 . . . A 1 LYS C . 18888 1 2 . 1 1 1 1 LYS CA C 13 63.472 0.200 . 1 . . . A 1 LYS CA . 18888 1 3 . 1 1 1 1 LYS CB C 13 31.915 0.200 . 1 . . . A 1 LYS CB . 18888 1 4 . 1 1 2 2 ILE H H 1 7.664 0.040 . 1 . . . A 2 ILE H . 18888 1 5 . 1 1 2 2 ILE HA H 1 4.378 0.040 . 1 . . . A 2 ILE HA . 18888 1 6 . 1 1 2 2 ILE HB H 1 1.890 0.040 . 1 . . . A 2 ILE HB . 18888 1 7 . 1 1 2 2 ILE HG13 H 1 1.593 0.040 . 2 . . . A 2 ILE HG13 . 18888 1 8 . 1 1 2 2 ILE HG21 H 1 0.841 0.040 . 1 . . . A 2 ILE HG21 . 18888 1 9 . 1 1 2 2 ILE HG22 H 1 0.841 0.040 . 1 . . . A 2 ILE HG22 . 18888 1 10 . 1 1 2 2 ILE HG23 H 1 0.841 0.040 . 1 . . . A 2 ILE HG23 . 18888 1 11 . 1 1 2 2 ILE HD11 H 1 0.670 0.040 . 1 . . . A 2 ILE HD11 . 18888 1 12 . 1 1 2 2 ILE HD12 H 1 0.670 0.040 . 1 . . . A 2 ILE HD12 . 18888 1 13 . 1 1 2 2 ILE HD13 H 1 0.670 0.040 . 1 . . . A 2 ILE HD13 . 18888 1 14 . 1 1 2 2 ILE CA C 13 57.034 0.200 . 1 . . . A 2 ILE CA . 18888 1 15 . 1 1 2 2 ILE CB C 13 43.310 0.200 . 1 . . . A 2 ILE CB . 18888 1 16 . 1 1 2 2 ILE CG2 C 13 17.839 0.200 . 1 . . . A 2 ILE CG2 . 18888 1 17 . 1 1 2 2 ILE CD1 C 13 13.854 0.200 . 1 . . . A 2 ILE CD1 . 18888 1 18 . 1 1 2 2 ILE N N 15 127.991 0.150 . 1 . . . A 2 ILE N . 18888 1 19 . 1 1 3 3 PRO HA H 1 4.348 0.040 . 1 . . . A 3 PRO HA . 18888 1 20 . 1 1 3 3 PRO HB2 H 1 1.820 0.040 . 2 . . . A 3 PRO HB2 . 18888 1 21 . 1 1 3 3 PRO HG3 H 1 2.229 0.040 . 2 . . . A 3 PRO HG3 . 18888 1 22 . 1 1 3 3 PRO HD3 H 1 3.673 0.040 . 2 . . . A 3 PRO HD3 . 18888 1 23 . 1 1 3 3 PRO CA C 13 63.373 0.200 . 1 . . . A 3 PRO CA . 18888 1 24 . 1 1 3 3 PRO CB C 13 32.206 0.200 . 1 . . . A 3 PRO CB . 18888 1 25 . 1 1 3 3 PRO CG C 13 27.264 0.200 . 1 . . . A 3 PRO CG . 18888 1 26 . 1 1 3 3 PRO CD C 13 50.814 0.200 . 1 . . . A 3 PRO CD . 18888 1 27 . 1 1 4 4 SER HA H 1 4.348 0.040 . 1 . . . A 4 SER HA . 18888 1 28 . 1 1 4 4 SER HB3 H 1 3.779 0.040 . 2 . . . A 4 SER HB3 . 18888 1 29 . 1 1 4 4 SER C C 13 175.984 0.200 . 1 . . . A 4 SER C . 18888 1 30 . 1 1 4 4 SER CA C 13 59.529 0.200 . 1 . . . A 4 SER CA . 18888 1 31 . 1 1 4 4 SER CB C 13 63.804 0.200 . 1 . . . A 4 SER CB . 18888 1 32 . 1 1 5 5 ILE H H 1 8.271 0.040 . 1 . . . A 5 ILE H . 18888 1 33 . 1 1 5 5 ILE HA H 1 3.996 0.040 . 1 . . . A 5 ILE HA . 18888 1 34 . 1 1 5 5 ILE HB H 1 1.884 0.040 . 1 . . . A 5 ILE HB . 18888 1 35 . 1 1 5 5 ILE HG13 H 1 1.186 0.040 . 2 . . . A 5 ILE HG13 . 18888 1 36 . 1 1 5 5 ILE HG21 H 1 0.842 0.040 . 1 . . . A 5 ILE HG21 . 18888 1 37 . 1 1 5 5 ILE HG22 H 1 0.842 0.040 . 1 . . . A 5 ILE HG22 . 18888 1 38 . 1 1 5 5 ILE HG23 H 1 0.842 0.040 . 1 . . . A 5 ILE HG23 . 18888 1 39 . 1 1 5 5 ILE HD11 H 1 0.796 0.040 . 1 . . . A 5 ILE HD11 . 18888 1 40 . 1 1 5 5 ILE HD12 H 1 0.796 0.040 . 1 . . . A 5 ILE HD12 . 18888 1 41 . 1 1 5 5 ILE HD13 H 1 0.796 0.040 . 1 . . . A 5 ILE HD13 . 18888 1 42 . 1 1 5 5 ILE C C 13 176.210 0.200 . 1 . . . A 5 ILE C . 18888 1 43 . 1 1 5 5 ILE CA C 13 62.595 0.200 . 1 . . . A 5 ILE CA . 18888 1 44 . 1 1 5 5 ILE CB C 13 38.248 0.200 . 1 . . . A 5 ILE CB . 18888 1 45 . 1 1 5 5 ILE CG1 C 13 28.383 0.200 . 1 . . . A 5 ILE CG1 . 18888 1 46 . 1 1 5 5 ILE CG2 C 13 17.697 0.200 . 1 . . . A 5 ILE CG2 . 18888 1 47 . 1 1 5 5 ILE CD1 C 13 13.697 0.200 . 1 . . . A 5 ILE CD1 . 18888 1 48 . 1 1 5 5 ILE N N 15 120.706 0.150 . 1 . . . A 5 ILE N . 18888 1 49 . 1 1 6 6 ALA H H 1 7.928 0.040 . 1 . . . A 6 ALA H . 18888 1 50 . 1 1 6 6 ALA HA H 1 4.107 0.040 . 1 . . . A 6 ALA HA . 18888 1 51 . 1 1 6 6 ALA HB1 H 1 1.340 0.040 . 1 . . . A 6 ALA HB1 . 18888 1 52 . 1 1 6 6 ALA HB2 H 1 1.340 0.040 . 1 . . . A 6 ALA HB2 . 18888 1 53 . 1 1 6 6 ALA HB3 H 1 1.340 0.040 . 1 . . . A 6 ALA HB3 . 18888 1 54 . 1 1 6 6 ALA C C 13 178.346 0.200 . 1 . . . A 6 ALA C . 18888 1 55 . 1 1 6 6 ALA CA C 13 54.832 0.200 . 1 . . . A 6 ALA CA . 18888 1 56 . 1 1 6 6 ALA CB C 13 19.276 0.200 . 1 . . . A 6 ALA CB . 18888 1 57 . 1 1 6 6 ALA N N 15 123.151 0.150 . 1 . . . A 6 ALA N . 18888 1 58 . 1 1 7 7 THR H H 1 7.753 0.040 . 1 . . . A 7 THR H . 18888 1 59 . 1 1 7 7 THR HA H 1 4.146 0.040 . 1 . . . A 7 THR HA . 18888 1 60 . 1 1 7 7 THR HB H 1 3.773 0.040 . 1 . . . A 7 THR HB . 18888 1 61 . 1 1 7 7 THR HG21 H 1 1.152 0.040 . 1 . . . A 7 THR HG21 . 18888 1 62 . 1 1 7 7 THR HG22 H 1 1.152 0.040 . 1 . . . A 7 THR HG22 . 18888 1 63 . 1 1 7 7 THR HG23 H 1 1.152 0.040 . 1 . . . A 7 THR HG23 . 18888 1 64 . 1 1 7 7 THR C C 13 176.776 0.200 . 1 . . . A 7 THR C . 18888 1 65 . 1 1 7 7 THR CA C 13 66.156 0.200 . 1 . . . A 7 THR CA . 18888 1 66 . 1 1 7 7 THR CB C 13 68.443 0.200 . 1 . . . A 7 THR CB . 18888 1 67 . 1 1 7 7 THR CG2 C 13 22.576 0.200 . 1 . . . A 7 THR CG2 . 18888 1 68 . 1 1 7 7 THR N N 15 112.925 0.150 . 1 . . . A 7 THR N . 18888 1 69 . 1 1 8 8 GLY H H 1 8.336 0.040 . 1 . . . A 8 GLY H . 18888 1 70 . 1 1 8 8 GLY HA3 H 1 3.675 0.040 . 2 . . . A 8 GLY HA3 . 18888 1 71 . 1 1 8 8 GLY C C 13 174.926 0.200 . 1 . . . A 8 GLY C . 18888 1 72 . 1 1 8 8 GLY CA C 13 47.496 0.200 . 1 . . . A 8 GLY CA . 18888 1 73 . 1 1 8 8 GLY N N 15 108.739 0.150 . 1 . . . A 8 GLY N . 18888 1 74 . 1 1 9 9 LEU H H 1 8.048 0.040 . 1 . . . A 9 LEU H . 18888 1 75 . 1 1 9 9 LEU HA H 1 4.017 0.040 . 1 . . . A 9 LEU HA . 18888 1 76 . 1 1 9 9 LEU HB3 H 1 1.760 0.040 . 2 . . . A 9 LEU HB3 . 18888 1 77 . 1 1 9 9 LEU HG H 1 1.786 0.040 . 1 . . . A 9 LEU HG . 18888 1 78 . 1 1 9 9 LEU HD11 H 1 0.702 0.040 . 2 . . . A 9 LEU HD11 . 18888 1 79 . 1 1 9 9 LEU HD12 H 1 0.702 0.040 . 2 . . . A 9 LEU HD12 . 18888 1 80 . 1 1 9 9 LEU HD13 H 1 0.702 0.040 . 2 . . . A 9 LEU HD13 . 18888 1 81 . 1 1 9 9 LEU C C 13 178.353 0.200 . 1 . . . A 9 LEU C . 18888 1 82 . 1 1 9 9 LEU CA C 13 58.400 0.200 . 1 . . . A 9 LEU CA . 18888 1 83 . 1 1 9 9 LEU CB C 13 41.482 0.200 . 1 . . . A 9 LEU CB . 18888 1 84 . 1 1 9 9 LEU CG C 13 27.114 0.200 . 1 . . . A 9 LEU CG . 18888 1 85 . 1 1 9 9 LEU CD1 C 13 23.832 0.200 . 2 . . . A 9 LEU CD1 . 18888 1 86 . 1 1 9 9 LEU N N 15 121.062 0.150 . 1 . . . A 9 LEU N . 18888 1 87 . 1 1 10 10 VAL H H 1 8.104 0.040 . 1 . . . A 10 VAL H . 18888 1 88 . 1 1 10 10 VAL HA H 1 3.516 0.040 . 1 . . . A 10 VAL HA . 18888 1 89 . 1 1 10 10 VAL HB H 1 2.224 0.040 . 1 . . . A 10 VAL HB . 18888 1 90 . 1 1 10 10 VAL HG11 H 1 0.964 0.040 . 2 . . . A 10 VAL HG11 . 18888 1 91 . 1 1 10 10 VAL HG12 H 1 0.964 0.040 . 2 . . . A 10 VAL HG12 . 18888 1 92 . 1 1 10 10 VAL HG13 H 1 0.964 0.040 . 2 . . . A 10 VAL HG13 . 18888 1 93 . 1 1 10 10 VAL C C 13 177.957 0.200 . 1 . . . A 10 VAL C . 18888 1 94 . 1 1 10 10 VAL CA C 13 67.567 0.200 . 1 . . . A 10 VAL CA . 18888 1 95 . 1 1 10 10 VAL CB C 13 31.025 0.200 . 1 . . . A 10 VAL CB . 18888 1 96 . 1 1 10 10 VAL CG1 C 13 23.432 0.200 . 2 . . . A 10 VAL CG1 . 18888 1 97 . 1 1 10 10 VAL N N 15 117.880 0.150 . 1 . . . A 10 VAL N . 18888 1 98 . 1 1 11 11 GLY H H 1 8.312 0.040 . 1 . . . A 11 GLY H . 18888 1 99 . 1 1 11 11 GLY HA3 H 1 3.616 0.040 . 2 . . . A 11 GLY HA3 . 18888 1 100 . 1 1 11 11 GLY C C 13 174.564 0.200 . 1 . . . A 11 GLY C . 18888 1 101 . 1 1 11 11 GLY CA C 13 47.941 0.200 . 1 . . . A 11 GLY CA . 18888 1 102 . 1 1 11 11 GLY N N 15 106.151 0.150 . 1 . . . A 11 GLY N . 18888 1 103 . 1 1 12 12 ALA H H 1 8.185 0.040 . 1 . . . A 12 ALA H . 18888 1 104 . 1 1 12 12 ALA HA H 1 4.028 0.040 . 1 . . . A 12 ALA HA . 18888 1 105 . 1 1 12 12 ALA HB1 H 1 1.399 0.040 . 1 . . . A 12 ALA HB1 . 18888 1 106 . 1 1 12 12 ALA HB2 H 1 1.399 0.040 . 1 . . . A 12 ALA HB2 . 18888 1 107 . 1 1 12 12 ALA HB3 H 1 1.399 0.040 . 1 . . . A 12 ALA HB3 . 18888 1 108 . 1 1 12 12 ALA C C 13 178.920 0.200 . 1 . . . A 12 ALA C . 18888 1 109 . 1 1 12 12 ALA CA C 13 55.212 0.341 . 1 . . . A 12 ALA CA . 18888 1 110 . 1 1 12 12 ALA CB C 13 18.612 0.211 . 1 . . . A 12 ALA CB . 18888 1 111 . 1 1 12 12 ALA N N 15 122.322 0.150 . 1 . . . A 12 ALA N . 18888 1 112 . 1 1 13 13 LEU H H 1 8.069 0.040 . 1 . . . A 13 LEU H . 18888 1 113 . 1 1 13 13 LEU HA H 1 3.892 0.040 . 1 . . . A 13 LEU HA . 18888 1 114 . 1 1 13 13 LEU HB3 H 1 1.853 0.040 . 2 . . . A 13 LEU HB3 . 18888 1 115 . 1 1 13 13 LEU HG H 1 1.561 0.040 . 1 . . . A 13 LEU HG . 18888 1 116 . 1 1 13 13 LEU HD11 H 1 0.848 0.040 . 2 . . . A 13 LEU HD11 . 18888 1 117 . 1 1 13 13 LEU HD12 H 1 0.848 0.040 . 2 . . . A 13 LEU HD12 . 18888 1 118 . 1 1 13 13 LEU HD13 H 1 0.848 0.040 . 2 . . . A 13 LEU HD13 . 18888 1 119 . 1 1 13 13 LEU C C 13 178.578 0.200 . 1 . . . A 13 LEU C . 18888 1 120 . 1 1 13 13 LEU CA C 13 58.351 0.200 . 1 . . . A 13 LEU CA . 18888 1 121 . 1 1 13 13 LEU CB C 13 41.337 0.200 . 1 . . . A 13 LEU CB . 18888 1 122 . 1 1 13 13 LEU CG C 13 27.221 0.200 . 1 . . . A 13 LEU CG . 18888 1 123 . 1 1 13 13 LEU CD1 C 13 24.998 0.200 . 2 . . . A 13 LEU CD1 . 18888 1 124 . 1 1 13 13 LEU N N 15 116.964 0.150 . 1 . . . A 13 LEU N . 18888 1 125 . 1 1 14 14 LEU H H 1 8.253 0.040 . 1 . . . A 14 LEU H . 18888 1 126 . 1 1 14 14 LEU HA H 1 3.910 0.040 . 1 . . . A 14 LEU HA . 18888 1 127 . 1 1 14 14 LEU HB3 H 1 1.828 0.040 . 2 . . . A 14 LEU HB3 . 18888 1 128 . 1 1 14 14 LEU HG H 1 1.528 0.040 . 1 . . . A 14 LEU HG . 18888 1 129 . 1 1 14 14 LEU HD11 H 1 0.752 0.040 . 2 . . . A 14 LEU HD11 . 18888 1 130 . 1 1 14 14 LEU HD12 H 1 0.752 0.040 . 2 . . . A 14 LEU HD12 . 18888 1 131 . 1 1 14 14 LEU HD13 H 1 0.752 0.040 . 2 . . . A 14 LEU HD13 . 18888 1 132 . 1 1 14 14 LEU C C 13 178.524 0.200 . 1 . . . A 14 LEU C . 18888 1 133 . 1 1 14 14 LEU CA C 13 58.489 0.200 . 1 . . . A 14 LEU CA . 18888 1 134 . 1 1 14 14 LEU CB C 13 41.311 0.200 . 1 . . . A 14 LEU CB . 18888 1 135 . 1 1 14 14 LEU CG C 13 27.207 0.200 . 1 . . . A 14 LEU CG . 18888 1 136 . 1 1 14 14 LEU CD1 C 13 23.742 0.200 . 2 . . . A 14 LEU CD1 . 18888 1 137 . 1 1 14 14 LEU N N 15 118.111 0.150 . 1 . . . A 14 LEU N . 18888 1 138 . 1 1 15 15 LEU H H 1 8.033 0.040 . 1 . . . A 15 LEU H . 18888 1 139 . 1 1 15 15 LEU HA H 1 3.889 0.040 . 1 . . . A 15 LEU HA . 18888 1 140 . 1 1 15 15 LEU HB3 H 1 1.720 0.040 . 2 . . . A 15 LEU HB3 . 18888 1 141 . 1 1 15 15 LEU HD11 H 1 0.786 0.040 . 2 . . . A 15 LEU HD11 . 18888 1 142 . 1 1 15 15 LEU HD12 H 1 0.786 0.040 . 2 . . . A 15 LEU HD12 . 18888 1 143 . 1 1 15 15 LEU HD13 H 1 0.786 0.040 . 2 . . . A 15 LEU HD13 . 18888 1 144 . 1 1 15 15 LEU C C 13 176.957 0.200 . 1 . . . A 15 LEU C . 18888 1 145 . 1 1 15 15 LEU CA C 13 58.555 0.200 . 1 . . . A 15 LEU CA . 18888 1 146 . 1 1 15 15 LEU CB C 13 41.256 0.200 . 1 . . . A 15 LEU CB . 18888 1 147 . 1 1 15 15 LEU CD1 C 13 23.757 0.200 . 2 . . . A 15 LEU CD1 . 18888 1 148 . 1 1 15 15 LEU N N 15 118.412 0.150 . 1 . . . A 15 LEU N . 18888 1 149 . 1 1 16 16 LEU H H 1 8.332 0.040 . 1 . . . A 16 LEU H . 18888 1 150 . 1 1 16 16 LEU HB3 H 1 1.700 0.040 . 2 . . . A 16 LEU HB3 . 18888 1 151 . 1 1 16 16 LEU HG H 1 1.460 0.040 . 1 . . . A 16 LEU HG . 18888 1 152 . 1 1 16 16 LEU HD11 H 1 0.887 0.040 . 2 . . . A 16 LEU HD11 . 18888 1 153 . 1 1 16 16 LEU HD12 H 1 0.887 0.040 . 2 . . . A 16 LEU HD12 . 18888 1 154 . 1 1 16 16 LEU HD13 H 1 0.887 0.040 . 2 . . . A 16 LEU HD13 . 18888 1 155 . 1 1 16 16 LEU C C 13 178.339 0.200 . 1 . . . A 16 LEU C . 18888 1 156 . 1 1 16 16 LEU CA C 13 58.623 0.200 . 1 . . . A 16 LEU CA . 18888 1 157 . 1 1 16 16 LEU CB C 13 41.407 0.200 . 1 . . . A 16 LEU CB . 18888 1 158 . 1 1 16 16 LEU CG C 13 26.425 0.200 . 1 . . . A 16 LEU CG . 18888 1 159 . 1 1 16 16 LEU N N 15 116.904 0.150 . 1 . . . A 16 LEU N . 18888 1 160 . 1 1 17 17 LEU H H 1 8.126 0.040 . 1 . . . A 17 LEU H . 18888 1 161 . 1 1 17 17 LEU HA H 1 3.913 0.040 . 1 . . . A 17 LEU HA . 18888 1 162 . 1 1 17 17 LEU HB3 H 1 1.771 0.040 . 2 . . . A 17 LEU HB3 . 18888 1 163 . 1 1 17 17 LEU HD11 H 1 0.820 0.040 . 2 . . . A 17 LEU HD11 . 18888 1 164 . 1 1 17 17 LEU HD12 H 1 0.820 0.040 . 2 . . . A 17 LEU HD12 . 18888 1 165 . 1 1 17 17 LEU HD13 H 1 0.820 0.040 . 2 . . . A 17 LEU HD13 . 18888 1 166 . 1 1 17 17 LEU C C 13 178.442 0.200 . 1 . . . A 17 LEU C . 18888 1 167 . 1 1 17 17 LEU CA C 13 58.527 0.200 . 1 . . . A 17 LEU CA . 18888 1 168 . 1 1 17 17 LEU CB C 13 41.600 0.200 . 1 . . . A 17 LEU CB . 18888 1 169 . 1 1 17 17 LEU CG C 13 26.841 0.200 . 1 . . . A 17 LEU CG . 18888 1 170 . 1 1 17 17 LEU N N 15 118.301 0.150 . 1 . . . A 17 LEU N . 18888 1 171 . 1 1 18 18 VAL H H 1 8.045 0.040 . 1 . . . A 18 VAL H . 18888 1 172 . 1 1 18 18 VAL HA H 1 4.066 0.040 . 1 . . . A 18 VAL HA . 18888 1 173 . 1 1 18 18 VAL HB H 1 2.215 0.040 . 1 . . . A 18 VAL HB . 18888 1 174 . 1 1 18 18 VAL HG11 H 1 1.009 0.040 . 2 . . . A 18 VAL HG11 . 18888 1 175 . 1 1 18 18 VAL HG12 H 1 1.009 0.040 . 2 . . . A 18 VAL HG12 . 18888 1 176 . 1 1 18 18 VAL HG13 H 1 1.009 0.040 . 2 . . . A 18 VAL HG13 . 18888 1 177 . 1 1 18 18 VAL C C 13 177.848 0.200 . 1 . . . A 18 VAL C . 18888 1 178 . 1 1 18 18 VAL CA C 13 67.505 0.200 . 1 . . . A 18 VAL CA . 18888 1 179 . 1 1 18 18 VAL CB C 13 31.045 0.200 . 1 . . . A 18 VAL CB . 18888 1 180 . 1 1 18 18 VAL CG1 C 13 23.453 0.200 . 2 . . . A 18 VAL CG1 . 18888 1 181 . 1 1 18 18 VAL N N 15 117.796 0.150 . 1 . . . A 18 VAL N . 18888 1 182 . 1 1 19 19 VAL H H 1 8.182 0.040 . 1 . . . A 19 VAL H . 18888 1 183 . 1 1 19 19 VAL HA H 1 3.483 0.040 . 1 . . . A 19 VAL HA . 18888 1 184 . 1 1 19 19 VAL HB H 1 2.213 0.040 . 1 . . . A 19 VAL HB . 18888 1 185 . 1 1 19 19 VAL HG11 H 1 0.969 0.040 . 2 . . . A 19 VAL HG11 . 18888 1 186 . 1 1 19 19 VAL HG12 H 1 0.969 0.040 . 2 . . . A 19 VAL HG12 . 18888 1 187 . 1 1 19 19 VAL HG13 H 1 0.969 0.040 . 2 . . . A 19 VAL HG13 . 18888 1 188 . 1 1 19 19 VAL C C 13 177.363 0.200 . 1 . . . A 19 VAL C . 18888 1 189 . 1 1 19 19 VAL CA C 13 67.414 0.200 . 1 . . . A 19 VAL CA . 18888 1 190 . 1 1 19 19 VAL CB C 13 31.107 0.200 . 1 . . . A 19 VAL CB . 18888 1 191 . 1 1 19 19 VAL CG1 C 13 23.386 0.200 . 2 . . . A 19 VAL CG1 . 18888 1 192 . 1 1 19 19 VAL N N 15 119.307 0.150 . 1 . . . A 19 VAL N . 18888 1 193 . 1 1 20 20 ALA H H 1 8.512 0.040 . 1 . . . A 20 ALA H . 18888 1 194 . 1 1 20 20 ALA HA H 1 3.911 0.040 . 1 . . . A 20 ALA HA . 18888 1 195 . 1 1 20 20 ALA HB1 H 1 1.403 0.040 . 1 . . . A 20 ALA HB1 . 18888 1 196 . 1 1 20 20 ALA HB2 H 1 1.403 0.040 . 1 . . . A 20 ALA HB2 . 18888 1 197 . 1 1 20 20 ALA HB3 H 1 1.403 0.040 . 1 . . . A 20 ALA HB3 . 18888 1 198 . 1 1 20 20 ALA C C 13 179.329 0.200 . 1 . . . A 20 ALA C . 18888 1 199 . 1 1 20 20 ALA CA C 13 55.860 0.211 . 1 . . . A 20 ALA CA . 18888 1 200 . 1 1 20 20 ALA CB C 13 18.228 0.200 . 1 . . . A 20 ALA CB . 18888 1 201 . 1 1 20 20 ALA N N 15 121.029 0.150 . 1 . . . A 20 ALA N . 18888 1 202 . 1 1 21 21 LEU H H 1 8.369 0.040 . 1 . . . A 21 LEU H . 18888 1 203 . 1 1 21 21 LEU HA H 1 3.935 0.040 . 1 . . . A 21 LEU HA . 18888 1 204 . 1 1 21 21 LEU HB3 H 1 1.863 0.040 . 2 . . . A 21 LEU HB3 . 18888 1 205 . 1 1 21 21 LEU HG H 1 1.555 0.040 . 1 . . . A 21 LEU HG . 18888 1 206 . 1 1 21 21 LEU HD11 H 1 0.841 0.040 . 2 . . . A 21 LEU HD11 . 18888 1 207 . 1 1 21 21 LEU HD12 H 1 0.841 0.040 . 2 . . . A 21 LEU HD12 . 18888 1 208 . 1 1 21 21 LEU HD13 H 1 0.841 0.040 . 2 . . . A 21 LEU HD13 . 18888 1 209 . 1 1 21 21 LEU C C 13 178.913 0.200 . 1 . . . A 21 LEU C . 18888 1 210 . 1 1 21 21 LEU CA C 13 58.314 0.200 . 1 . . . A 21 LEU CA . 18888 1 211 . 1 1 21 21 LEU CB C 13 41.427 0.200 . 1 . . . A 21 LEU CB . 18888 1 212 . 1 1 21 21 LEU CG C 13 27.262 0.200 . 1 . . . A 21 LEU CG . 18888 1 213 . 1 1 21 21 LEU CD1 C 13 25.144 0.200 . 2 . . . A 21 LEU CD1 . 18888 1 214 . 1 1 21 21 LEU N N 15 116.949 0.150 . 1 . . . A 21 LEU N . 18888 1 215 . 1 1 22 22 GLY H H 1 8.514 0.040 . 1 . . . A 22 GLY H . 18888 1 216 . 1 1 22 22 GLY HA3 H 1 3.649 0.040 . 2 . . . A 22 GLY HA3 . 18888 1 217 . 1 1 22 22 GLY C C 13 175.186 0.200 . 1 . . . A 22 GLY C . 18888 1 218 . 1 1 22 22 GLY CA C 13 48.063 0.200 . 1 . . . A 22 GLY CA . 18888 1 219 . 1 1 22 22 GLY N N 15 106.554 0.150 . 1 . . . A 22 GLY N . 18888 1 220 . 1 1 23 23 ILE H H 1 8.561 0.040 . 1 . . . A 23 ILE H . 18888 1 221 . 1 1 23 23 ILE HA H 1 3.725 0.040 . 1 . . . A 23 ILE HA . 18888 1 222 . 1 1 23 23 ILE HB H 1 1.974 0.040 . 1 . . . A 23 ILE HB . 18888 1 223 . 1 1 23 23 ILE HG13 H 1 1.453 0.040 . 2 . . . A 23 ILE HG13 . 18888 1 224 . 1 1 23 23 ILE HG21 H 1 0.820 0.040 . 1 . . . A 23 ILE HG21 . 18888 1 225 . 1 1 23 23 ILE HG22 H 1 0.820 0.040 . 1 . . . A 23 ILE HG22 . 18888 1 226 . 1 1 23 23 ILE HG23 H 1 0.820 0.040 . 1 . . . A 23 ILE HG23 . 18888 1 227 . 1 1 23 23 ILE HD11 H 1 0.672 0.040 . 1 . . . A 23 ILE HD11 . 18888 1 228 . 1 1 23 23 ILE HD12 H 1 0.672 0.040 . 1 . . . A 23 ILE HD12 . 18888 1 229 . 1 1 23 23 ILE HD13 H 1 0.672 0.040 . 1 . . . A 23 ILE HD13 . 18888 1 230 . 1 1 23 23 ILE C C 13 178.148 0.200 . 1 . . . A 23 ILE C . 18888 1 231 . 1 1 23 23 ILE CA C 13 65.896 0.200 . 1 . . . A 23 ILE CA . 18888 1 232 . 1 1 23 23 ILE CB C 13 37.491 0.200 . 1 . . . A 23 ILE CB . 18888 1 233 . 1 1 23 23 ILE CG1 C 13 28.304 0.200 . 1 . . . A 23 ILE CG1 . 18888 1 234 . 1 1 23 23 ILE CG2 C 13 17.655 0.200 . 1 . . . A 23 ILE CG2 . 18888 1 235 . 1 1 23 23 ILE CD1 C 13 13.854 0.200 . 1 . . . A 23 ILE CD1 . 18888 1 236 . 1 1 23 23 ILE N N 15 121.173 0.150 . 1 . . . A 23 ILE N . 18888 1 237 . 1 1 24 24 GLY H H 1 8.504 0.040 . 1 . . . A 24 GLY H . 18888 1 238 . 1 1 24 24 GLY HA3 H 1 3.642 0.040 . 2 . . . A 24 GLY HA3 . 18888 1 239 . 1 1 24 24 GLY C C 13 175.322 0.200 . 1 . . . A 24 GLY C . 18888 1 240 . 1 1 24 24 GLY CA C 13 48.072 0.200 . 1 . . . A 24 GLY CA . 18888 1 241 . 1 1 24 24 GLY N N 15 107.064 0.040 . 1 . . . A 24 GLY N . 18888 1 242 . 1 1 25 25 LEU H H 1 8.470 0.040 . 1 . . . A 25 LEU H . 18888 1 243 . 1 1 25 25 LEU HA H 1 3.855 0.050 . 1 . . . A 25 LEU HA . 18888 1 244 . 1 1 25 25 LEU HB3 H 1 1.892 0.040 . 2 . . . A 25 LEU HB3 . 18888 1 245 . 1 1 25 25 LEU HG H 1 1.446 0.040 . 1 . . . A 25 LEU HG . 18888 1 246 . 1 1 25 25 LEU HD11 H 1 0.897 0.040 . 2 . . . A 25 LEU HD11 . 18888 1 247 . 1 1 25 25 LEU HD12 H 1 0.897 0.040 . 2 . . . A 25 LEU HD12 . 18888 1 248 . 1 1 25 25 LEU HD13 H 1 0.897 0.040 . 2 . . . A 25 LEU HD13 . 18888 1 249 . 1 1 25 25 LEU C C 13 178.817 0.200 . 1 . . . A 25 LEU C . 18888 1 250 . 1 1 25 25 LEU CA C 13 58.334 0.200 . 1 . . . A 25 LEU CA . 18888 1 251 . 1 1 25 25 LEU CB C 13 41.680 0.200 . 1 . . . A 25 LEU CB . 18888 1 252 . 1 1 25 25 LEU CD1 C 13 21.811 0.200 . 2 . . . A 25 LEU CD1 . 18888 1 253 . 1 1 25 25 LEU N N 15 121.163 0.150 . 1 . . . A 25 LEU N . 18888 1 254 . 1 1 26 26 PHE H H 1 8.116 0.040 . 1 . . . A 26 PHE H . 18888 1 255 . 1 1 26 26 PHE HA H 1 4.130 0.040 . 1 . . . A 26 PHE HA . 18888 1 256 . 1 1 26 26 PHE HB3 H 1 3.145 0.040 . 2 . . . A 26 PHE HB3 . 18888 1 257 . 1 1 26 26 PHE HD2 H 1 7.134 0.040 . 1 . . . A 26 PHE HD2 . 18888 1 258 . 1 1 26 26 PHE C C 13 177.766 0.200 . 1 . . . A 26 PHE C . 18888 1 259 . 1 1 26 26 PHE CA C 13 61.947 0.200 . 1 . . . A 26 PHE CA . 18888 1 260 . 1 1 26 26 PHE CB C 13 39.516 0.200 . 1 . . . A 26 PHE CB . 18888 1 261 . 1 1 26 26 PHE N N 15 119.922 0.150 . 1 . . . A 26 PHE N . 18888 1 262 . 1 1 27 27 ILE H H 1 8.437 0.040 . 1 . . . A 27 ILE H . 18888 1 263 . 1 1 27 27 ILE HA H 1 3.605 0.040 . 1 . . . A 27 ILE HA . 18888 1 264 . 1 1 27 27 ILE HB H 1 2.005 0.040 . 1 . . . A 27 ILE HB . 18888 1 265 . 1 1 27 27 ILE HG13 H 1 1.345 0.040 . 2 . . . A 27 ILE HG13 . 18888 1 266 . 1 1 27 27 ILE HG21 H 1 0.723 0.040 . 1 . . . A 27 ILE HG21 . 18888 1 267 . 1 1 27 27 ILE HG22 H 1 0.723 0.040 . 1 . . . A 27 ILE HG22 . 18888 1 268 . 1 1 27 27 ILE HG23 H 1 0.723 0.040 . 1 . . . A 27 ILE HG23 . 18888 1 269 . 1 1 27 27 ILE HD11 H 1 0.795 0.040 . 1 . . . A 27 ILE HD11 . 18888 1 270 . 1 1 27 27 ILE HD12 H 1 0.795 0.040 . 1 . . . A 27 ILE HD12 . 18888 1 271 . 1 1 27 27 ILE HD13 H 1 0.795 0.040 . 1 . . . A 27 ILE HD13 . 18888 1 272 . 1 1 27 27 ILE C C 13 178.230 0.200 . 1 . . . A 27 ILE C . 18888 1 273 . 1 1 27 27 ILE CA C 13 65.051 0.200 . 1 . . . A 27 ILE CA . 18888 1 274 . 1 1 27 27 ILE CB C 13 37.731 0.200 . 1 . . . A 27 ILE CB . 18888 1 275 . 1 1 27 27 ILE CG1 C 13 27.013 0.200 . 1 . . . A 27 ILE CG1 . 18888 1 276 . 1 1 27 27 ILE CG2 C 13 16.364 0.200 . 1 . . . A 27 ILE CG2 . 18888 1 277 . 1 1 27 27 ILE CD1 C 13 13.707 0.200 . 1 . . . A 27 ILE CD1 . 18888 1 278 . 1 1 27 27 ILE N N 15 118.375 0.150 . 1 . . . A 27 ILE N . 18888 1 279 . 1 1 28 28 ARG H H 1 7.992 0.040 . 1 . . . A 28 ARG H . 18888 1 280 . 1 1 28 28 ARG HA H 1 4.081 0.040 . 1 . . . A 28 ARG HA . 18888 1 281 . 1 1 28 28 ARG HB3 H 1 2.001 0.040 . 2 . . . A 28 ARG HB3 . 18888 1 282 . 1 1 28 28 ARG C C 13 178.053 0.200 . 1 . . . A 28 ARG C . 18888 1 283 . 1 1 28 28 ARG CA C 13 58.561 0.200 . 1 . . . A 28 ARG CA . 18888 1 284 . 1 1 28 28 ARG CB C 13 29.874 0.200 . 1 . . . A 28 ARG CB . 18888 1 285 . 1 1 28 28 ARG N N 15 119.543 0.150 . 1 . . . A 28 ARG N . 18888 1 286 . 1 1 29 29 ARG H H 1 7.859 0.040 . 1 . . . A 29 ARG H . 18888 1 287 . 1 1 29 29 ARG HA H 1 4.088 0.040 . 1 . . . A 29 ARG HA . 18888 1 288 . 1 1 29 29 ARG HB3 H 1 1.871 0.040 . 2 . . . A 29 ARG HB3 . 18888 1 289 . 1 1 29 29 ARG HG3 H 1 1.668 0.040 . 2 . . . A 29 ARG HG3 . 18888 1 290 . 1 1 29 29 ARG HD3 H 1 3.148 0.040 . 2 . . . A 29 ARG HD3 . 18888 1 291 . 1 1 29 29 ARG C C 13 177.462 0.200 . 1 . . . A 29 ARG C . 18888 1 292 . 1 1 29 29 ARG CA C 13 58.198 0.200 . 1 . . . A 29 ARG CA . 18888 1 293 . 1 1 29 29 ARG CB C 13 29.798 0.200 . 1 . . . A 29 ARG CB . 18888 1 294 . 1 1 29 29 ARG CG C 13 27.101 0.200 . 1 . . . A 29 ARG CG . 18888 1 295 . 1 1 29 29 ARG CD C 13 43.018 0.200 . 1 . . . A 29 ARG CD . 18888 1 296 . 1 1 29 29 ARG N N 15 118.146 0.150 . 1 . . . A 29 ARG N . 18888 1 297 . 1 1 30 30 ARG H H 1 7.713 0.040 . 1 . . . A 30 ARG H . 18888 1 298 . 1 1 30 30 ARG HA H 1 4.056 0.040 . 1 . . . A 30 ARG HA . 18888 1 299 . 1 1 30 30 ARG HB3 H 1 1.634 0.040 . 2 . . . A 30 ARG HB3 . 18888 1 300 . 1 1 30 30 ARG C C 13 177.066 0.200 . 1 . . . A 30 ARG C . 18888 1 301 . 1 1 30 30 ARG CA C 13 57.870 0.200 . 1 . . . A 30 ARG CA . 18888 1 302 . 1 1 30 30 ARG CB C 13 29.847 0.200 . 1 . . . A 30 ARG CB . 18888 1 303 . 1 1 30 30 ARG N N 15 118.271 0.150 . 1 . . . A 30 ARG N . 18888 1 304 . 1 1 31 31 HIS H H 1 7.938 0.040 . 1 . . . A 31 HIS H . 18888 1 305 . 1 1 31 31 HIS HA H 1 4.498 0.040 . 1 . . . A 31 HIS HA . 18888 1 306 . 1 1 31 31 HIS HB3 H 1 3.194 0.040 . 2 . . . A 31 HIS HB3 . 18888 1 307 . 1 1 31 31 HIS C C 13 175.756 0.200 . 1 . . . A 31 HIS C . 18888 1 308 . 1 1 31 31 HIS CA C 13 57.302 0.200 . 1 . . . A 31 HIS CA . 18888 1 309 . 1 1 31 31 HIS CB C 13 29.909 0.200 . 1 . . . A 31 HIS CB . 18888 1 310 . 1 1 31 31 HIS N N 15 118.215 0.150 . 1 . . . A 31 HIS N . 18888 1 311 . 1 1 32 32 ILE H H 1 7.777 0.040 . 1 . . . A 32 ILE H . 18888 1 312 . 1 1 32 32 ILE HA H 1 3.950 0.040 . 1 . . . A 32 ILE HA . 18888 1 313 . 1 1 32 32 ILE HB H 1 1.843 0.040 . 1 . . . A 32 ILE HB . 18888 1 314 . 1 1 32 32 ILE HG13 H 1 1.136 0.040 . 2 . . . A 32 ILE HG13 . 18888 1 315 . 1 1 32 32 ILE HG21 H 1 0.901 0.040 . 1 . . . A 32 ILE HG21 . 18888 1 316 . 1 1 32 32 ILE HG22 H 1 0.901 0.040 . 1 . . . A 32 ILE HG22 . 18888 1 317 . 1 1 32 32 ILE HG23 H 1 0.901 0.040 . 1 . . . A 32 ILE HG23 . 18888 1 318 . 1 1 32 32 ILE HD11 H 1 0.803 0.040 . 1 . . . A 32 ILE HD11 . 18888 1 319 . 1 1 32 32 ILE HD12 H 1 0.803 0.040 . 1 . . . A 32 ILE HD12 . 18888 1 320 . 1 1 32 32 ILE HD13 H 1 0.803 0.040 . 1 . . . A 32 ILE HD13 . 18888 1 321 . 1 1 32 32 ILE C C 13 176.861 0.200 . 1 . . . A 32 ILE C . 18888 1 322 . 1 1 32 32 ILE CA C 13 62.773 0.200 . 1 . . . A 32 ILE CA . 18888 1 323 . 1 1 32 32 ILE CB C 13 38.340 0.200 . 1 . . . A 32 ILE CB . 18888 1 324 . 1 1 32 32 ILE CG1 C 13 27.347 0.200 . 1 . . . A 32 ILE CG1 . 18888 1 325 . 1 1 32 32 ILE CG2 C 13 17.549 0.200 . 1 . . . A 32 ILE CG2 . 18888 1 326 . 1 1 32 32 ILE CD1 C 13 13.161 0.200 . 1 . . . A 32 ILE CD1 . 18888 1 327 . 1 1 32 32 ILE N N 15 120.536 0.150 . 1 . . . A 32 ILE N . 18888 1 328 . 1 1 33 33 VAL H H 1 7.937 0.040 . 1 . . . A 33 VAL H . 18888 1 329 . 1 1 33 33 VAL HA H 1 3.935 0.040 . 1 . . . A 33 VAL HA . 18888 1 330 . 1 1 33 33 VAL HB H 1 2.057 0.040 . 1 . . . A 33 VAL HB . 18888 1 331 . 1 1 33 33 VAL HG11 H 1 0.903 0.040 . 2 . . . A 33 VAL HG11 . 18888 1 332 . 1 1 33 33 VAL HG12 H 1 0.903 0.040 . 2 . . . A 33 VAL HG12 . 18888 1 333 . 1 1 33 33 VAL HG13 H 1 0.903 0.040 . 2 . . . A 33 VAL HG13 . 18888 1 334 . 1 1 33 33 VAL C C 13 176.438 0.200 . 1 . . . A 33 VAL C . 18888 1 335 . 1 1 33 33 VAL CA C 13 63.444 0.233 . 1 . . . A 33 VAL CA . 18888 1 336 . 1 1 33 33 VAL CB C 13 32.271 0.200 . 1 . . . A 33 VAL CB . 18888 1 337 . 1 1 33 33 VAL CG1 C 13 21.699 0.200 . 2 . . . A 33 VAL CG1 . 18888 1 338 . 1 1 33 33 VAL N N 15 121.940 0.150 . 1 . . . A 33 VAL N . 18888 1 339 . 1 1 34 34 ARG H H 1 7.942 0.040 . 1 . . . A 34 ARG H . 18888 1 340 . 1 1 34 34 ARG HA H 1 3.945 0.040 . 1 . . . A 34 ARG HA . 18888 1 341 . 1 1 34 34 ARG HB3 H 1 1.749 0.040 . 2 . . . A 34 ARG HB3 . 18888 1 342 . 1 1 34 34 ARG HD3 H 1 2.840 0.040 . 2 . . . A 34 ARG HD3 . 18888 1 343 . 1 1 34 34 ARG C C 13 176.291 0.200 . 1 . . . A 34 ARG C . 18888 1 344 . 1 1 34 34 ARG CA C 13 55.683 0.200 . 1 . . . A 34 ARG CA . 18888 1 345 . 1 1 34 34 ARG CB C 13 30.456 0.200 . 1 . . . A 34 ARG CB . 18888 1 346 . 1 1 34 34 ARG CD C 13 41.959 0.200 . 1 . . . A 34 ARG CD . 18888 1 347 . 1 1 34 34 ARG N N 15 122.674 0.150 . 1 . . . A 34 ARG N . 18888 1 348 . 1 1 35 35 LYS H H 1 8.004 0.040 . 1 . . . A 35 LYS H . 18888 1 349 . 1 1 35 35 LYS HA H 1 4.194 0.040 . 1 . . . A 35 LYS HA . 18888 1 350 . 1 1 35 35 LYS HB3 H 1 1.609 0.040 . 2 . . . A 35 LYS HB3 . 18888 1 351 . 1 1 35 35 LYS C C 13 176.264 0.200 . 1 . . . A 35 LYS C . 18888 1 352 . 1 1 35 35 LYS CA C 13 56.610 0.200 . 1 . . . A 35 LYS CA . 18888 1 353 . 1 1 35 35 LYS CB C 13 30.291 0.200 . 1 . . . A 35 LYS CB . 18888 1 354 . 1 1 35 35 LYS N N 15 122.637 0.150 . 1 . . . A 35 LYS N . 18888 1 355 . 1 1 36 36 ARG H H 1 8.167 0.040 . 1 . . . A 36 ARG H . 18888 1 356 . 1 1 36 36 ARG HA H 1 4.214 0.040 . 1 . . . A 36 ARG HA . 18888 1 357 . 1 1 36 36 ARG HB3 H 1 1.996 0.040 . 2 . . . A 36 ARG HB3 . 18888 1 358 . 1 1 36 36 ARG C C 13 177.070 0.200 . 1 . . . A 36 ARG C . 18888 1 359 . 1 1 36 36 ARG CA C 13 56.979 0.200 . 1 . . . A 36 ARG CA . 18888 1 360 . 1 1 36 36 ARG CB C 13 30.189 0.200 . 1 . . . A 36 ARG CB . 18888 1 361 . 1 1 36 36 ARG N N 15 120.653 0.150 . 1 . . . A 36 ARG N . 18888 1 362 . 1 1 37 37 THR H H 1 7.919 0.040 . 1 . . . A 37 THR H . 18888 1 363 . 1 1 37 37 THR HA H 1 4.108 0.040 . 1 . . . A 37 THR HA . 18888 1 364 . 1 1 37 37 THR HB H 1 3.941 0.040 . 1 . . . A 37 THR HB . 18888 1 365 . 1 1 37 37 THR HG21 H 1 1.142 0.040 . 1 . . . A 37 THR HG21 . 18888 1 366 . 1 1 37 37 THR HG22 H 1 1.142 0.040 . 1 . . . A 37 THR HG22 . 18888 1 367 . 1 1 37 37 THR HG23 H 1 1.142 0.040 . 1 . . . A 37 THR HG23 . 18888 1 368 . 1 1 37 37 THR C C 13 174.940 0.200 . 1 . . . A 37 THR C . 18888 1 369 . 1 1 37 37 THR CA C 13 63.600 0.200 . 1 . . . A 37 THR CA . 18888 1 370 . 1 1 37 37 THR CB C 13 70.087 0.200 . 1 . . . A 37 THR CB . 18888 1 371 . 1 1 37 37 THR CG2 C 13 22.572 0.200 . 1 . . . A 37 THR CG2 . 18888 1 372 . 1 1 37 37 THR N N 15 115.490 0.150 . 1 . . . A 37 THR N . 18888 1 373 . 1 1 38 38 LEU H H 1 8.094 0.040 . 1 . . . A 38 LEU H . 18888 1 374 . 1 1 38 38 LEU HA H 1 4.165 0.040 . 1 . . . A 38 LEU HA . 18888 1 375 . 1 1 38 38 LEU HB3 H 1 1.551 0.040 . 2 . . . A 38 LEU HB3 . 18888 1 376 . 1 1 38 38 LEU HD11 H 1 0.837 0.040 . 2 . . . A 38 LEU HD11 . 18888 1 377 . 1 1 38 38 LEU HD12 H 1 0.837 0.040 . 2 . . . A 38 LEU HD12 . 18888 1 378 . 1 1 38 38 LEU HD13 H 1 0.837 0.040 . 2 . . . A 38 LEU HD13 . 18888 1 379 . 1 1 38 38 LEU C C 13 176.817 0.200 . 1 . . . A 38 LEU C . 18888 1 380 . 1 1 38 38 LEU CA C 13 56.663 0.200 . 1 . . . A 38 LEU CA . 18888 1 381 . 1 1 38 38 LEU CB C 13 42.195 0.280 . 1 . . . A 38 LEU CB . 18888 1 382 . 1 1 38 38 LEU CG C 13 26.950 0.280 . 1 . . . A 38 LEU CG . 18888 1 383 . 1 1 38 38 LEU CD1 C 13 23.780 0.200 . 2 . . . A 38 LEU CD1 . 18888 1 384 . 1 1 38 38 LEU N N 15 123.746 0.150 . 1 . . . A 38 LEU N . 18888 1 385 . 1 1 39 39 ARG H H 1 7.747 0.040 . 1 . . . A 39 ARG H . 18888 1 386 . 1 1 39 39 ARG HA H 1 4.150 0.040 . 1 . . . A 39 ARG HA . 18888 1 387 . 1 1 39 39 ARG HB3 H 1 1.708 0.040 . 2 . . . A 39 ARG HB3 . 18888 1 388 . 1 1 39 39 ARG HG3 H 1 1.349 0.040 . 2 . . . A 39 ARG HG3 . 18888 1 389 . 1 1 39 39 ARG HD3 H 1 3.242 0.040 . 2 . . . A 39 ARG HD3 . 18888 1 390 . 1 1 39 39 ARG C C 13 176.790 0.200 . 1 . . . A 39 ARG C . 18888 1 391 . 1 1 39 39 ARG CA C 13 56.993 0.200 . 1 . . . A 39 ARG CA . 18888 1 392 . 1 1 39 39 ARG CB C 13 29.753 0.200 . 1 . . . A 39 ARG CB . 18888 1 393 . 1 1 39 39 ARG CG C 13 24.975 0.200 . 1 . . . A 39 ARG CG . 18888 1 394 . 1 1 39 39 ARG N N 15 118.747 0.150 . 1 . . . A 39 ARG N . 18888 1 395 . 1 1 40 40 ARG H H 1 8.001 0.040 . 1 . . . A 40 ARG H . 18888 1 396 . 1 1 40 40 ARG HA H 1 4.198 0.040 . 1 . . . A 40 ARG HA . 18888 1 397 . 1 1 40 40 ARG HB3 H 1 1.803 0.040 . 2 . . . A 40 ARG HB3 . 18888 1 398 . 1 1 40 40 ARG HG3 H 1 1.597 0.040 . 2 . . . A 40 ARG HG3 . 18888 1 399 . 1 1 40 40 ARG HD3 H 1 3.122 0.040 . 2 . . . A 40 ARG HD3 . 18888 1 400 . 1 1 40 40 ARG C C 13 176.971 0.200 . 1 . . . A 40 ARG C . 18888 1 401 . 1 1 40 40 ARG CA C 13 56.828 0.200 . 1 . . . A 40 ARG CA . 18888 1 402 . 1 1 40 40 ARG CB C 13 30.258 0.200 . 1 . . . A 40 ARG CB . 18888 1 403 . 1 1 40 40 ARG CG C 13 27.169 0.200 . 1 . . . A 40 ARG CG . 18888 1 404 . 1 1 40 40 ARG CD C 13 43.358 0.200 . 1 . . . A 40 ARG CD . 18888 1 405 . 1 1 40 40 ARG N N 15 120.056 0.150 . 1 . . . A 40 ARG N . 18888 1 406 . 1 1 41 41 LEU H H 1 8.004 0.040 . 1 . . . A 41 LEU H . 18888 1 407 . 1 1 41 41 LEU HA H 1 4.146 0.040 . 1 . . . A 41 LEU HA . 18888 1 408 . 1 1 41 41 LEU HB3 H 1 1.682 0.040 . 2 . . . A 41 LEU HB3 . 18888 1 409 . 1 1 41 41 LEU HG H 1 1.725 0.040 . 1 . . . A 41 LEU HG . 18888 1 410 . 1 1 41 41 LEU HD11 H 1 0.798 0.040 . 2 . . . A 41 LEU HD11 . 18888 1 411 . 1 1 41 41 LEU HD12 H 1 0.798 0.040 . 2 . . . A 41 LEU HD12 . 18888 1 412 . 1 1 41 41 LEU HD13 H 1 0.798 0.040 . 2 . . . A 41 LEU HD13 . 18888 1 413 . 1 1 41 41 LEU C C 13 176.681 0.200 . 1 . . . A 41 LEU C . 18888 1 414 . 1 1 41 41 LEU CA C 13 56.244 0.200 . 1 . . . A 41 LEU CA . 18888 1 415 . 1 1 41 41 LEU CB C 13 42.051 0.200 . 1 . . . A 41 LEU CB . 18888 1 416 . 1 1 41 41 LEU CG C 13 27.095 0.200 . 1 . . . A 41 LEU CG . 18888 1 417 . 1 1 41 41 LEU CD1 C 13 24.979 0.200 . 2 . . . A 41 LEU CD1 . 18888 1 418 . 1 1 41 41 LEU N N 15 121.814 0.150 . 1 . . . A 41 LEU N . 18888 1 419 . 1 1 42 42 LEU H H 1 7.990 0.040 . 1 . . . A 42 LEU H . 18888 1 420 . 1 1 42 42 LEU HA H 1 4.213 0.040 . 1 . . . A 42 LEU HA . 18888 1 421 . 1 1 42 42 LEU HB3 H 1 1.551 0.040 . 2 . . . A 42 LEU HB3 . 18888 1 422 . 1 1 42 42 LEU HD11 H 1 0.891 0.040 . 2 . . . A 42 LEU HD11 . 18888 1 423 . 1 1 42 42 LEU HD12 H 1 0.891 0.040 . 2 . . . A 42 LEU HD12 . 18888 1 424 . 1 1 42 42 LEU HD13 H 1 0.891 0.040 . 2 . . . A 42 LEU HD13 . 18888 1 425 . 1 1 42 42 LEU C C 13 177.251 0.200 . 1 . . . A 42 LEU C . 18888 1 426 . 1 1 42 42 LEU CA C 13 56.181 0.200 . 1 . . . A 42 LEU CA . 18888 1 427 . 1 1 42 42 LEU CB C 13 42.265 0.200 . 1 . . . A 42 LEU CB . 18888 1 428 . 1 1 42 42 LEU CG C 13 26.916 0.200 . 1 . . . A 42 LEU CG . 18888 1 429 . 1 1 42 42 LEU CD1 C 13 24.745 0.200 . 2 . . . A 42 LEU CD . 18888 1 430 . 1 1 42 42 LEU N N 15 122.506 0.150 . 1 . . . A 42 LEU N . 18888 1 431 . 1 1 43 43 GLN H H 1 8.246 0.040 . 1 . . . A 43 GLN H . 18888 1 432 . 1 1 43 43 GLN HA H 1 4.115 0.040 . 1 . . . A 43 GLN HA . 18888 1 433 . 1 1 43 43 GLN HB3 H 1 1.989 0.040 . 2 . . . A 43 GLN HB3 . 18888 1 434 . 1 1 43 43 GLN HG3 H 1 2.273 0.040 . 2 . . . A 43 GLN HG3 . 18888 1 435 . 1 1 43 43 GLN C C 13 176.585 0.200 . 1 . . . A 43 GLN C . 18888 1 436 . 1 1 43 43 GLN CA C 13 56.063 0.200 . 1 . . . A 43 GLN CA . 18888 1 437 . 1 1 43 43 GLN CB C 13 29.470 0.200 . 1 . . . A 43 GLN CB . 18888 1 438 . 1 1 43 43 GLN CG C 13 34.060 0.200 . 1 . . . A 43 GLN CG . 18888 1 439 . 1 1 43 43 GLN N N 15 120.716 0.150 . 1 . . . A 43 GLN N . 18888 1 440 . 1 1 44 44 GLU H H 1 8.073 0.040 . 1 . . . A 44 GLU H . 18888 1 441 . 1 1 44 44 GLU HA H 1 4.159 0.040 . 1 . . . A 44 GLU HA . 18888 1 442 . 1 1 44 44 GLU HB3 H 1 1.617 0.040 . 2 . . . A 44 GLU HB3 . 18888 1 443 . 1 1 44 44 GLU HG3 H 1 2.262 0.040 . 2 . . . A 44 GLU HG3 . 18888 1 444 . 1 1 44 44 GLU C C 13 176.916 0.200 . 1 . . . A 44 GLU C . 18888 1 445 . 1 1 44 44 GLU CA C 13 56.561 0.200 . 1 . . . A 44 GLU CA . 18888 1 446 . 1 1 44 44 GLU CB C 13 30.306 0.200 . 1 . . . A 44 GLU CB . 18888 1 447 . 1 1 44 44 GLU CG C 13 36.440 0.200 . 1 . . . A 44 GLU CG . 18888 1 448 . 1 1 44 44 GLU N N 15 121.318 0.150 . 1 . . . A 44 GLU N . 18888 1 449 . 1 1 45 45 ARG H H 1 7.953 0.040 . 1 . . . A 45 ARG H . 18888 1 450 . 1 1 45 45 ARG HA H 1 4.186 0.040 . 1 . . . A 45 ARG HA . 18888 1 451 . 1 1 45 45 ARG HB3 H 1 1.824 0.040 . 2 . . . A 45 ARG HB3 . 18888 1 452 . 1 1 45 45 ARG HG3 H 1 1.278 0.040 . 2 . . . A 45 ARG HG3 . 18888 1 453 . 1 1 45 45 ARG HD3 H 1 3.215 0.040 . 2 . . . A 45 ARG HD3 . 18888 1 454 . 1 1 45 45 ARG C C 13 177.653 0.200 . 1 . . . A 45 ARG C . 18888 1 455 . 1 1 45 45 ARG CA C 13 57.486 0.200 . 1 . . . A 45 ARG CA . 18888 1 456 . 1 1 45 45 ARG CB C 13 30.299 0.200 . 1 . . . A 45 ARG CB . 18888 1 457 . 1 1 45 45 ARG CG C 13 24.940 0.200 . 1 . . . A 45 ARG CG . 18888 1 458 . 1 1 45 45 ARG CD C 13 43.031 0.200 . 1 . . . A 45 ARG CD . 18888 1 459 . 1 1 45 45 ARG N N 15 120.626 0.150 . 1 . . . A 45 ARG N . 18888 1 460 . 1 1 46 46 GLU H H 1 8.070 0.040 . 1 . . . A 46 GLU H . 18888 1 461 . 1 1 46 46 GLU HA H 1 4.162 0.040 . 1 . . . A 46 GLU HA . 18888 1 462 . 1 1 46 46 GLU HB3 H 1 1.793 0.040 . 2 . . . A 46 GLU HB3 . 18888 1 463 . 1 1 46 46 GLU HG3 H 1 2.148 0.040 . 2 . . . A 46 GLU HG3 . 18888 1 464 . 1 1 46 46 GLU C C 13 176.261 0.200 . 1 . . . A 46 GLU C . 18888 1 465 . 1 1 46 46 GLU CA C 13 56.959 0.200 . 1 . . . A 46 GLU CA . 18888 1 466 . 1 1 46 46 GLU CB C 13 30.337 0.200 . 1 . . . A 46 GLU CB . 18888 1 467 . 1 1 46 46 GLU CG C 13 36.299 0.200 . 1 . . . A 46 GLU CG . 18888 1 468 . 1 1 46 46 GLU N N 15 120.256 0.153 . 1 . . . A 46 GLU N . 18888 1 469 . 1 1 47 47 LEU H H 1 8.065 0.040 . 1 . . . A 47 LEU H . 18888 1 470 . 1 1 47 47 LEU HA H 1 4.282 0.040 . 1 . . . A 47 LEU HA . 18888 1 471 . 1 1 47 47 LEU HB3 H 1 1.558 0.040 . 2 . . . A 47 LEU HB3 . 18888 1 472 . 1 1 47 47 LEU C C 13 177.005 0.200 . 1 . . . A 47 LEU C . 18888 1 473 . 1 1 47 47 LEU CA C 13 55.520 0.200 . 1 . . . A 47 LEU CA . 18888 1 474 . 1 1 47 47 LEU CB C 13 42.168 0.200 . 1 . . . A 47 LEU CB . 18888 1 475 . 1 1 47 47 LEU N N 15 123.451 0.150 . 1 . . . A 47 LEU N . 18888 1 476 . 1 1 48 48 VAL H H 1 7.796 0.040 . 1 . . . A 48 VAL H . 18888 1 477 . 1 1 48 48 VAL HA H 1 4.096 0.040 . 1 . . . A 48 VAL HA . 18888 1 478 . 1 1 48 48 VAL HB H 1 1.970 0.040 . 1 . . . A 48 VAL HB . 18888 1 479 . 1 1 48 48 VAL HG11 H 1 0.837 0.040 . 2 . . . A 48 VAL HG11 . 18888 1 480 . 1 1 48 48 VAL HG12 H 1 0.837 0.040 . 2 . . . A 48 VAL HG12 . 18888 1 481 . 1 1 48 48 VAL HG13 H 1 0.837 0.040 . 2 . . . A 48 VAL HG13 . 18888 1 482 . 1 1 48 48 VAL C C 13 175.885 0.200 . 1 . . . A 48 VAL C . 18888 1 483 . 1 1 48 48 VAL CA C 13 62.191 0.200 . 1 . . . A 48 VAL CA . 18888 1 484 . 1 1 48 48 VAL CB C 13 32.969 0.200 . 1 . . . A 48 VAL CB . 18888 1 485 . 1 1 48 48 VAL CG1 C 13 20.644 0.200 . 2 . . . A 48 VAL CG1 . 18888 1 486 . 1 1 48 48 VAL N N 15 119.974 0.150 . 1 . . . A 48 VAL N . 18888 1 487 . 1 1 49 49 GLU H H 1 8.188 0.040 . 1 . . . A 49 GLU H . 18888 1 488 . 1 1 49 49 GLU HA H 1 4.509 0.040 . 1 . . . A 49 GLU HA . 18888 1 489 . 1 1 49 49 GLU HB3 H 1 1.989 0.040 . 2 . . . A 49 GLU HB3 . 18888 1 490 . 1 1 49 49 GLU HG3 H 1 2.188 0.040 . 2 . . . A 49 GLU HG3 . 18888 1 491 . 1 1 49 49 GLU CA C 13 54.618 0.200 . 1 . . . A 49 GLU CA . 18888 1 492 . 1 1 49 49 GLU CB C 13 29.785 0.200 . 1 . . . A 49 GLU CB . 18888 1 493 . 1 1 49 49 GLU CG C 13 36.281 0.200 . 1 . . . A 49 GLU CG . 18888 1 494 . 1 1 49 49 GLU N N 15 125.448 0.150 . 1 . . . A 49 GLU N . 18888 1 495 . 1 1 50 50 PRO HA H 1 4.418 0.040 . 1 . . . A 50 PRO HA . 18888 1 496 . 1 1 50 50 PRO HB2 H 1 2.315 0.040 . 2 . . . A 50 PRO HB2 . 18888 1 497 . 1 1 50 50 PRO HG3 H 1 1.889 0.040 . 2 . . . A 50 PRO HG3 . 18888 1 498 . 1 1 50 50 PRO HD3 H 1 3.567 0.040 . 2 . . . A 50 PRO HD3 . 18888 1 499 . 1 1 50 50 PRO CA C 13 63.417 0.200 . 1 . . . A 50 PRO CA . 18888 1 500 . 1 1 50 50 PRO CB C 13 32.306 0.200 . 1 . . . A 50 PRO CB . 18888 1 501 . 1 1 50 50 PRO CG C 13 27.453 0.200 . 1 . . . A 50 PRO CG . 18888 1 502 . 1 1 50 50 PRO CD C 13 50.816 0.200 . 1 . . . A 50 PRO CD . 18888 1 503 . 1 1 51 51 LEU H H 1 8.133 0.040 . 1 . . . A 51 LEU H . 18888 1 504 . 1 1 51 51 LEU HA H 1 4.357 0.040 . 1 . . . A 51 LEU HA . 18888 1 505 . 1 1 51 51 LEU HB3 H 1 1.449 0.040 . 2 . . . A 51 LEU HB3 . 18888 1 506 . 1 1 51 51 LEU C C 13 177.565 0.200 . 1 . . . A 51 LEU C . 18888 1 507 . 1 1 51 51 LEU CA C 13 55.356 0.200 . 1 . . . A 51 LEU CA . 18888 1 508 . 1 1 51 51 LEU CB C 13 42.397 0.200 . 1 . . . A 51 LEU CB . 18888 1 509 . 1 1 51 51 LEU N N 15 121.670 0.150 . 1 . . . A 51 LEU N . 18888 1 510 . 1 1 52 52 THR H H 1 7.990 0.040 . 1 . . . A 52 THR H . 18888 1 511 . 1 1 52 52 THR HA H 1 4.536 0.040 . 1 . . . A 52 THR HA . 18888 1 512 . 1 1 52 52 THR HB H 1 4.140 0.040 . 1 . . . A 52 THR HB . 18888 1 513 . 1 1 52 52 THR HG21 H 1 1.146 0.040 . 1 . . . A 52 THR HG21 . 18888 1 514 . 1 1 52 52 THR HG22 H 1 1.146 0.040 . 1 . . . A 52 THR HG22 . 18888 1 515 . 1 1 52 52 THR HG23 H 1 1.146 0.040 . 1 . . . A 52 THR HG23 . 18888 1 516 . 1 1 52 52 THR CA C 13 59.829 0.200 . 1 . . . A 52 THR CA . 18888 1 517 . 1 1 52 52 THR CB C 13 69.776 0.200 . 1 . . . A 52 THR CB . 18888 1 518 . 1 1 52 52 THR CG2 C 13 21.637 0.200 . 1 . . . A 52 THR CG2 . 18888 1 519 . 1 1 52 52 THR N N 15 116.165 0.150 . 1 . . . A 52 THR N . 18888 1 520 . 1 1 53 53 PRO HA H 1 4.573 0.040 . 1 . . . A 53 PRO HA . 18888 1 521 . 1 1 53 53 PRO HB2 H 1 2.187 0.040 . 2 . . . A 53 PRO HB2 . 18888 1 522 . 1 1 53 53 PRO HG3 H 1 1.845 0.040 . 2 . . . A 53 PRO HG3 . 18888 1 523 . 1 1 53 53 PRO HD3 H 1 3.729 0.040 . 2 . . . A 53 PRO HD3 . 18888 1 524 . 1 1 53 53 PRO C C 13 177.264 0.200 . 1 . . . A 53 PRO C . 18888 1 525 . 1 1 53 53 PRO CA C 13 63.591 0.200 . 1 . . . A 53 PRO CA . 18888 1 526 . 1 1 53 53 PRO CB C 13 32.080 0.200 . 1 . . . A 53 PRO CB . 18888 1 527 . 1 1 53 53 PRO CG C 13 27.439 0.200 . 1 . . . A 53 PRO CG . 18888 1 528 . 1 1 53 53 PRO CD C 13 51.086 0.200 . 1 . . . A 53 PRO CD . 18888 1 529 . 1 1 54 54 SER H H 1 8.162 0.040 . 1 . . . A 54 SER H . 18888 1 530 . 1 1 54 54 SER HA H 1 4.380 0.040 . 1 . . . A 54 SER HA . 18888 1 531 . 1 1 54 54 SER HB3 H 1 3.803 0.040 . 2 . . . A 54 SER HB3 . 18888 1 532 . 1 1 54 54 SER C C 13 175.407 0.200 . 1 . . . A 54 SER C . 18888 1 533 . 1 1 54 54 SER CA C 13 58.774 0.200 . 1 . . . A 54 SER CA . 18888 1 534 . 1 1 54 54 SER CB C 13 63.925 0.200 . 1 . . . A 54 SER CB . 18888 1 535 . 1 1 54 54 SER N N 15 115.163 0.150 . 1 . . . A 54 SER N . 18888 1 536 . 1 1 55 55 GLY H H 1 8.242 0.040 . 1 . . . A 55 GLY H . 18888 1 537 . 1 1 55 55 GLY HA3 H 1 3.915 0.040 . 2 . . . A 55 GLY HA3 . 18888 1 538 . 1 1 55 55 GLY C C 13 174.261 0.200 . 1 . . . A 55 GLY C . 18888 1 539 . 1 1 55 55 GLY CA C 13 45.723 0.200 . 1 . . . A 55 GLY CA . 18888 1 540 . 1 1 55 55 GLY N N 15 110.787 0.150 . 1 . . . A 55 GLY N . 18888 1 541 . 1 1 56 56 GLU H H 1 8.019 0.040 . 1 . . . A 56 GLU H . 18888 1 542 . 1 1 56 56 GLU HA H 1 4.196 0.040 . 1 . . . A 56 GLU HA . 18888 1 543 . 1 1 56 56 GLU HB3 H 1 1.900 0.040 . 2 . . . A 56 GLU HB3 . 18888 1 544 . 1 1 56 56 GLU CA C 13 56.986 0.200 . 1 . . . A 56 GLU CA . 18888 1 545 . 1 1 56 56 GLU CB C 13 30.148 0.200 . 1 . . . A 56 GLU CB . 18888 1 546 . 1 1 56 56 GLU N N 15 120.524 0.150 . 1 . . . A 56 GLU N . 18888 1 547 . 1 1 57 57 LYS H H 1 8.184 0.040 . 1 . . . A 57 LYS H . 18888 1 548 . 1 1 57 57 LYS HA H 1 4.242 0.040 . 1 . . . A 57 LYS HA . 18888 1 549 . 1 1 57 57 LYS HB3 H 1 2.035 0.040 . 2 . . . A 57 LYS HB3 . 18888 1 550 . 1 1 57 57 LYS C C 13 177.851 0.200 . 1 . . . A 57 LYS C . 18888 1 551 . 1 1 57 57 LYS CA C 13 57.479 0.200 . 1 . . . A 57 LYS CA . 18888 1 552 . 1 1 57 57 LYS CB C 13 30.052 0.200 . 1 . . . A 57 LYS CB . 18888 1 553 . 1 1 57 57 LYS N N 15 120.875 0.150 . 1 . . . A 57 LYS N . 18888 1 554 . 1 1 58 58 LEU H H 1 7.939 0.030 . 1 . . . A 58 LEU H . 18888 1 555 . 1 1 58 58 LEU HA H 1 4.230 0.040 . 1 . . . A 58 LEU HA . 18888 1 556 . 1 1 58 58 LEU HB3 H 1 1.668 0.040 . 2 . . . A 58 LEU HB3 . 18888 1 557 . 1 1 58 58 LEU CA C 13 56.343 0.200 . 1 . . . A 58 LEU CA . 18888 1 558 . 1 1 58 58 LEU CB C 13 41.893 0.200 . 1 . . . A 58 LEU CB . 18888 1 559 . 1 1 58 58 LEU N N 15 120.349 0.150 . 1 . . . A 58 LEU N . 18888 1 560 . 1 1 59 59 TRP H H 1 8.036 0.040 . 1 . . . A 59 TRP H . 18888 1 561 . 1 1 59 59 TRP HA H 1 4.604 0.040 . 1 . . . A 59 TRP HA . 18888 1 562 . 1 1 59 59 TRP HB3 H 1 3.086 0.040 . 2 . . . A 59 TRP HB3 . 18888 1 563 . 1 1 59 59 TRP HE1 H 1 10.113 0.040 . 1 . . . A 59 TRP HE1 . 18888 1 564 . 1 1 59 59 TRP C C 13 175.800 0.200 . 1 . . . A 59 TRP C . 18888 1 565 . 1 1 59 59 TRP CA C 13 56.816 0.200 . 1 . . . A 59 TRP CA . 18888 1 566 . 1 1 59 59 TRP CB C 13 29.371 0.200 . 1 . . . A 59 TRP CB . 18888 1 567 . 1 1 59 59 TRP N N 15 119.202 0.150 . 1 . . . A 59 TRP N . 18888 1 568 . 1 1 59 59 TRP NE1 N 15 129.707 0.150 . 1 . . . A 59 TRP NE1 . 18888 1 stop_ save_