data_16005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16005 _Entry.Title ; EphA2 dimeric structure in the lipidic bicelle at pH 5.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-27 _Entry.Accession_date 2008-10-27 _Entry.Last_release_date 2010-05-06 _Entry.Original_release_date 2010-05-06 _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 Maxim Mayzel . L. . 16005 2 Eduard Bocharov . V. . 16005 3 Alexandr Areniev . S. . 16005 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 . 'not applicable' 'not applicable' . 16005 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'dimeric transmembrane domain' . 16005 'ephrin receptor' . 16005 'membrane protein' . 16005 'receptor tyrosine kinase' . 16005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 174 16005 '15N chemical shifts' 41 16005 '1H chemical shifts' 290 16005 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 . . 2010-05-06 2008-10-27 original author . 16005 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2k1k 'EphA1 pH 4.3' 16005 PDB 2k1l 'EphA1 pH 6.3' 16005 PDB 2K9Y 'BMRB Entry Tracking System' 16005 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16005 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20197042 _Citation.Full_citation . _Citation.Title 'Left-handed dimer of EphA2 transmembrane domain: Helix packing diversity among receptor tyrosine kinases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 98 _Citation.Journal_issue 5 _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 881 _Citation.Page_last 889 _Citation.Year 2010 _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 Eduard Bocharov . V. . 16005 1 2 Maxim Mayzel . L. . 16005 1 3 Pavel Volynsky . E. . 16005 1 4 Konstantin Mineev . S. . 16005 1 5 Elena Tkach . N. . 16005 1 6 Yaroslav Ermolyuk . S. . 16005 1 7 Alexey Schulga . A. . 16005 1 8 Roman Efremov . G. . 16005 1 9 Alexander Arseniev . S. . 16005 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16005 _Assembly.ID 1 _Assembly.Name 'EphA2 TM dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 4278 _Assembly.Enzyme_commission_number . _Assembly.Details 'Dimer of EphA2 TM segments incorporated into lipid bicelles.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 16005 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'EphA2 TM chain 1' 1 $EphA2_TM A . yes native no no . . . 16005 1 2 'EphA2 TM chain 2' 1 $EphA2_TM B . yes native no no . . . 16005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EphA2_TM _Entity.Sf_category entity _Entity.Sf_framecode EphA2_TM _Entity.Entry_ID 16005 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EphA2_TM _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 ; EFQTLSPEGSGNLAVIGGVA VGVVLLLVLAGVGFFIHRRR K ; _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 41 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no DBJ BAG59366 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 654 100.00 100.00 9.05e-18 . . . . 16005 1 2 no GB AAA53375 . "protein-tyrosine kinase [Homo sapiens]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 3 no GB AAH37166 . "EPH receptor A2 [Homo sapiens]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 4 no GB AAX36099 . "EphA2 [synthetic construct]" . . . . . 100.00 977 100.00 100.00 1.31e-17 . . . . 16005 1 5 no GB AAX42531 . "EphA2 [synthetic construct]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 6 no GB ABM86157 . "EPH receptor A2 [synthetic construct]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 7 no REF NP_004422 . "ephrin type-A receptor 2 precursor [Homo sapiens]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 8 no REF XP_003279982 . "PREDICTED: ephrin type-A receptor 2 [Nomascus leucogenys]" . . . . . 100.00 976 97.56 97.56 1.36e-16 . . . . 16005 1 9 no REF XP_003780411 . "PREDICTED: LOW QUALITY PROTEIN: ephrin type-A receptor 2, partial [Pongo abelii]" . . . . . 100.00 703 97.56 97.56 7.25e-17 . . . . 16005 1 10 no REF XP_003806286 . "PREDICTED: ephrin type-A receptor 2 [Pan paniscus]" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 1 11 no REF XP_004024797 . "PREDICTED: ephrin type-A receptor 2 [Gorilla gorilla gorilla]" . . . . . 100.00 1110 97.56 97.56 2.07e-16 . . . . 16005 1 12 no SP P29317 . "RecName: Full=Ephrin type-A receptor 2; AltName: Full=Epithelial cell kinase; AltName: Full=Tyrosine-protein kinase receptor EC" . . . . . 100.00 976 100.00 100.00 1.31e-17 . . . . 16005 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 1 523 GLU . 16005 1 2 524 PHE . 16005 1 3 525 GLN . 16005 1 4 526 THR . 16005 1 5 527 LEU . 16005 1 6 528 SER . 16005 1 7 529 PRO . 16005 1 8 530 GLU . 16005 1 9 531 GLY . 16005 1 10 532 SER . 16005 1 11 533 GLY . 16005 1 12 534 ASN . 16005 1 13 535 LEU . 16005 1 14 536 ALA . 16005 1 15 537 VAL . 16005 1 16 538 ILE . 16005 1 17 539 GLY . 16005 1 18 540 GLY . 16005 1 19 541 VAL . 16005 1 20 542 ALA . 16005 1 21 543 VAL . 16005 1 22 544 GLY . 16005 1 23 545 VAL . 16005 1 24 546 VAL . 16005 1 25 547 LEU . 16005 1 26 548 LEU . 16005 1 27 549 LEU . 16005 1 28 550 VAL . 16005 1 29 551 LEU . 16005 1 30 552 ALA . 16005 1 31 553 GLY . 16005 1 32 554 VAL . 16005 1 33 555 GLY . 16005 1 34 556 PHE . 16005 1 35 557 PHE . 16005 1 36 558 ILE . 16005 1 37 559 HIS . 16005 1 38 560 ARG . 16005 1 39 561 ARG . 16005 1 40 562 ARG . 16005 1 41 563 LYS . 16005 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 16005 1 . PHE 2 2 16005 1 . GLN 3 3 16005 1 . THR 4 4 16005 1 . LEU 5 5 16005 1 . SER 6 6 16005 1 . PRO 7 7 16005 1 . GLU 8 8 16005 1 . GLY 9 9 16005 1 . SER 10 10 16005 1 . GLY 11 11 16005 1 . ASN 12 12 16005 1 . LEU 13 13 16005 1 . ALA 14 14 16005 1 . VAL 15 15 16005 1 . ILE 16 16 16005 1 . GLY 17 17 16005 1 . GLY 18 18 16005 1 . VAL 19 19 16005 1 . ALA 20 20 16005 1 . VAL 21 21 16005 1 . GLY 22 22 16005 1 . VAL 23 23 16005 1 . VAL 24 24 16005 1 . LEU 25 25 16005 1 . LEU 26 26 16005 1 . LEU 27 27 16005 1 . VAL 28 28 16005 1 . LEU 29 29 16005 1 . ALA 30 30 16005 1 . GLY 31 31 16005 1 . VAL 32 32 16005 1 . GLY 33 33 16005 1 . PHE 34 34 16005 1 . PHE 35 35 16005 1 . ILE 36 36 16005 1 . HIS 37 37 16005 1 . ARG 38 38 16005 1 . ARG 39 39 16005 1 . ARG 40 40 16005 1 . LYS 41 41 16005 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 16005 _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 $EphA2_TM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16005 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 16005 _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 $EphA2_TM . 'recombinant technology' 'Escherichia coli' 'E. Coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . PGEMEX1 . . . . . . 16005 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_EphA2_TM_15N_13C_homodimer _Sample.Sf_category sample _Sample.Sf_framecode EphA2_TM_15N_13C_homodimer _Sample.Entry_ID 16005 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in DHPC/DMPC bicelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 EphA2_TM '[U-95% 13C; U-95% 15N]' . . 1 $EphA2_TM . protein 3 . . mM . . . . 16005 1 2 DHPC [U-2H] . . . . . lipid 96 . . mM . . . . 16005 1 3 DMPC [U-2H] . . . . . lipid 24 . . mM . . . . 16005 1 4 NaN3 'natural abundance' . . . . . . 1.5 . . mM . . . . 16005 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16005 1 6 'phosphate buffer' 'natural abundance' . . . . . buffer 10 . . mM . . . . 16005 1 stop_ save_ save_EphA2_TM_15N_homodimer _Sample.Sf_category sample _Sample.Sf_framecode EphA2_TM_15N_homodimer _Sample.Entry_ID 16005 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in DHPC/DMPC bicelles' _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 EphA2_TM '[U-95% 15N]' . . 1 $EphA2_TM . protein 3 . . mM . . . . 16005 2 2 DHPC [U-2H] . . . . . lipid 96 . . mM . . . . 16005 2 3 DMPC [U-2H] . . . . . lipid 24 . . mM . . . . 16005 2 4 NaN3 'natural abundance' . . . . . . 1.5 . . mM . . . . 16005 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16005 2 6 'phosphate buffer' 'natural abundance' . . . . . buffer 10 . . mM . . . . 16005 2 stop_ save_ save_EphA2_TM_15N_13C_heterodimer _Sample.Sf_category sample _Sample.Sf_framecode EphA2_TM_15N_13C_heterodimer _Sample.Entry_ID 16005 _Sample.ID 3 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'peptide in DHPC/DMPC bicelles' _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 EphA2_TM '[U-95% 13C; U-95% 15N]' . . 1 $EphA2_TM . protein 1.5 . . mM . . . . 16005 3 2 DHPC [U-2H] . . . . . lipid 96 . . mM . . . . 16005 3 3 DMPC [U-2H] . . . . . lipid 24 . . mM . . . . 16005 3 4 NaN3 'natural abundance' . . . . . . 1.5 . . mM . . . . 16005 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16005 3 6 'phosphate buffer' 'natural abundance' . . . . . buffer 10 . . mM . . . . 16005 3 7 EphA2_TM 'natural abundance' . . 1 $EphA2_TM . protein 1.5 . . mM . . . . 16005 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16005 _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' 10 . mM 16005 1 pH 5 . pH 16005 1 pressure 1 . atm 16005 1 temperature 313 . K 16005 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16005 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . www.nmr.ch. 16005 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 16005 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16005 _Software.ID 2 _Software.Name CARA _Software.Version '1.5.5, 1.8' _Software.Details 'downloaded for free from www.nmr.ch' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . http://guentert.gsc.riken.go.jp/ 16005 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 16005 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16005 _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, Mumenthaler and Wuthrich' . . 16005 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure calculation' 16005 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16005 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16005 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16005 4 stop_ save_ save_GROMACS _Software.Sf_category software _Software.Sf_framecode GROMACS _Software.Entry_ID 16005 _Software.ID 5 _Software.Name GROMACS _Software.Version 3.3.2 _Software.Details 'OPLS all atom force field' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Erik Lindahl' . http://www.gromacs.org/ 16005 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16005 5 refinement 16005 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Unity_600_Varian _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Unity_600_Varian _NMR_spectrometer.Entry_ID 16005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 16005 _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 Unity_600_Varian Varian INOVA . 600 . . . 16005 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 16005 _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 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $EphA2_TM_15N_13C_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 3 '3D HNCO' no . . . . . . . . . . 1 $EphA2_TM_15N_13C_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 4 '3D HNCA' no . . . . . . . . . . 1 $EphA2_TM_15N_13C_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $EphA2_TM_15N_13C_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $EphA2_TM_15N_13C_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 9 '3D HNHB' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 10 '3D HNHA' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 12 '13C F1-filtered/F3-edited-NOESY' no . . . . . . . . . . 3 $EphA2_TM_15N_13C_heterodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 13 15N-T2 no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 14 15N-T1 no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 15 15N-NOE no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $EphA2_TM_15N_homodimer isotropic . . 1 $sample_conditions . . . 1 $Unity_600_Varian . . . . . . . . . . . . . . . . 16005 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 16005 _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 . . . . . . . . . 16005 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16005 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16005 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 16005 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 2 '2D 1H-13C HSQC' . . . 16005 1 3 '3D HNCO' . . . 16005 1 4 '3D HNCA' . . . 16005 1 5 '3D HCCH-TOCSY' . . . 16005 1 6 '3D 1H-15N NOESY' . . . 16005 1 7 '3D 1H-15N TOCSY' . . . 16005 1 8 '3D 1H-13C NOESY' . . . 16005 1 11 '2D 1H-1H NOESY' . . . 16005 1 16 '2D 1H-1H TOCSY' . . . 16005 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 4.253 0.020 . 1 . . . . 523 GLU HA . 16005 1 2 . 1 1 1 1 GLU HB2 H 1 2.408 0.020 . 1 . . . . 523 GLU HB2 . 16005 1 3 . 1 1 1 1 GLU HB3 H 1 1.692 0.020 . 1 . . . . 523 GLU HB3 . 16005 1 4 . 1 1 1 1 GLU HG2 H 1 2.274 0.020 . 1 . . . . 523 GLU HG2 . 16005 1 5 . 1 1 1 1 GLU HG3 H 1 2.154 0.020 . 1 . . . . 523 GLU HG3 . 16005 1 6 . 1 1 1 1 GLU CA C 13 57.423 0.300 . 1 . . . . 523 GLU CA . 16005 1 7 . 1 1 1 1 GLU CB C 13 25.773 0.300 . 1 . . . . 523 GLU CB . 16005 1 8 . 1 1 1 1 GLU CG C 13 25.831 0.300 . 1 . . . . 523 GLU CG . 16005 1 9 . 1 1 2 2 PHE H H 1 7.346 0.020 . 1 . . . . 524 PHE H . 16005 1 10 . 1 1 2 2 PHE HA H 1 4.644 0.020 . 1 . . . . 524 PHE HA . 16005 1 11 . 1 1 2 2 PHE HB2 H 1 3.151 0.020 . 1 . . . . 524 PHE HB2 . 16005 1 12 . 1 1 2 2 PHE HB3 H 1 3.069 0.020 . 1 . . . . 524 PHE HB3 . 16005 1 13 . 1 1 2 2 PHE HD2 H 1 7.323 0.050 . 4 . . . . 524 PHE HD2 . 16005 1 14 . 1 1 2 2 PHE HE1 H 1 7.331 0.050 . 4 . . . . 524 PHE HE1 . 16005 1 15 . 1 1 2 2 PHE CA C 13 55.981 0.300 . 1 . . . . 524 PHE CA . 16005 1 16 . 1 1 2 2 PHE CB C 13 37.296 0.300 . 1 . . . . 524 PHE CB . 16005 1 17 . 1 1 2 2 PHE CD2 C 13 129.225 0.600 . 4 . . . . 524 PHE CD2 . 16005 1 18 . 1 1 2 2 PHE CE1 C 13 129.746 0.600 . 4 . . . . 524 PHE CE1 . 16005 1 19 . 1 1 2 2 PHE N N 15 124.407 0.300 . 1 . . . . 524 PHE N . 16005 1 20 . 1 1 3 3 GLN H H 1 8.375 0.020 . 1 . . . . 525 GLN H . 16005 1 21 . 1 1 3 3 GLN HA H 1 4.362 0.020 . 1 . . . . 525 GLN HA . 16005 1 22 . 1 1 3 3 GLN HB2 H 1 2.309 0.020 . 2 . . . . 525 GLN HB2 . 16005 1 23 . 1 1 3 3 GLN HE21 H 1 7.464 0.020 . 2 . . . . 525 GLN HE21 . 16005 1 24 . 1 1 3 3 GLN HE22 H 1 6.773 0.020 . 2 . . . . 525 GLN HE22 . 16005 1 25 . 1 1 3 3 GLN HG2 H 1 2.061 0.020 . 2 . . . . 525 GLN HG2 . 16005 1 26 . 1 1 3 3 GLN HG3 H 1 1.958 0.020 . 2 . . . . 525 GLN HG3 . 16005 1 27 . 1 1 3 3 GLN C C 13 170.734 0.300 . 1 . . . . 525 GLN C . 16005 1 28 . 1 1 3 3 GLN CA C 13 53.825 0.300 . 1 . . . . 525 GLN CA . 16005 1 29 . 1 1 3 3 GLN CB C 13 31.694 0.300 . 1 . . . . 525 GLN CB . 16005 1 30 . 1 1 3 3 GLN CG C 13 27.695 0.300 . 1 . . . . 525 GLN CG . 16005 1 31 . 1 1 3 3 GLN N N 15 122.480 0.300 . 1 . . . . 525 GLN N . 16005 1 32 . 1 1 3 3 GLN NE2 N 15 111.686 0.300 . 1 . . . . 525 GLN NE2 . 16005 1 33 . 1 1 4 4 THR H H 1 8.063 0.020 . 1 . . . . 526 THR H . 16005 1 34 . 1 1 4 4 THR HA H 1 3.913 0.020 . 1 . . . . 526 THR HA . 16005 1 35 . 1 1 4 4 THR HB H 1 4.176 0.020 . 1 . . . . 526 THR HB . 16005 1 36 . 1 1 4 4 THR HG21 H 1 1.194 0.020 . 1 . . . . 526 THR HG2 . 16005 1 37 . 1 1 4 4 THR HG22 H 1 1.194 0.020 . 1 . . . . 526 THR HG2 . 16005 1 38 . 1 1 4 4 THR HG23 H 1 1.194 0.020 . 1 . . . . 526 THR HG2 . 16005 1 39 . 1 1 4 4 THR C C 13 169.745 0.300 . 1 . . . . 526 THR C . 16005 1 40 . 1 1 4 4 THR CA C 13 59.099 0.300 . 1 . . . . 526 THR CA . 16005 1 41 . 1 1 4 4 THR CB C 13 67.546 0.300 . 1 . . . . 526 THR CB . 16005 1 42 . 1 1 4 4 THR CG2 C 13 19.645 0.300 . 1 . . . . 526 THR CG2 . 16005 1 43 . 1 1 4 4 THR N N 15 115.155 0.300 . 1 . . . . 526 THR N . 16005 1 44 . 1 1 5 5 LEU H H 1 8.154 0.020 . 1 . . . . 527 LEU H . 16005 1 45 . 1 1 5 5 LEU HA H 1 4.407 0.020 . 1 . . . . 527 LEU HA . 16005 1 46 . 1 1 5 5 LEU HB2 H 1 1.626 0.020 . 2 . . . . 527 LEU HB2 . 16005 1 47 . 1 1 5 5 LEU HB3 H 1 1.626 0.020 . 2 . . . . 527 LEU HB3 . 16005 1 48 . 1 1 5 5 LEU HD11 H 1 0.902 0.020 . 1 . . . . 527 LEU HD1 . 16005 1 49 . 1 1 5 5 LEU HD12 H 1 0.902 0.020 . 1 . . . . 527 LEU HD1 . 16005 1 50 . 1 1 5 5 LEU HD13 H 1 0.902 0.020 . 1 . . . . 527 LEU HD1 . 16005 1 51 . 1 1 5 5 LEU HD21 H 1 0.860 0.020 . 1 . . . . 527 LEU HD2 . 16005 1 52 . 1 1 5 5 LEU HD22 H 1 0.860 0.020 . 1 . . . . 527 LEU HD2 . 16005 1 53 . 1 1 5 5 LEU HD23 H 1 0.860 0.020 . 1 . . . . 527 LEU HD2 . 16005 1 54 . 1 1 5 5 LEU C C 13 171.852 0.300 . 1 . . . . 527 LEU C . 16005 1 55 . 1 1 5 5 LEU CA C 13 52.778 0.300 . 1 . . . . 527 LEU CA . 16005 1 56 . 1 1 5 5 LEU CB C 13 40.597 0.300 . 1 . . . . 527 LEU CB . 16005 1 57 . 1 1 5 5 LEU CD1 C 13 23.137 0.300 . 1 . . . . 527 LEU CD1 . 16005 1 58 . 1 1 5 5 LEU CD2 C 13 21.934 0.300 . 1 . . . . 527 LEU CD2 . 16005 1 59 . 1 1 5 5 LEU N N 15 123.675 0.300 . 1 . . . . 527 LEU N . 16005 1 60 . 1 1 6 6 SER H H 1 8.231 0.020 . 1 . . . . 528 SER H . 16005 1 61 . 1 1 6 6 SER HA H 1 4.759 0.020 . 1 . . . . 528 SER HA . 16005 1 62 . 1 1 6 6 SER HB2 H 1 3.881 0.020 . 2 . . . . 528 SER HB2 . 16005 1 63 . 1 1 6 6 SER HB3 H 1 3.881 0.020 . 2 . . . . 528 SER HB3 . 16005 1 64 . 1 1 6 6 SER CA C 13 53.989 0.300 . 1 . . . . 528 SER CA . 16005 1 65 . 1 1 6 6 SER CB C 13 61.617 0.300 . 1 . . . . 528 SER CB . 16005 1 66 . 1 1 6 6 SER N N 15 117.123 0.300 . 1 . . . . 528 SER N . 16005 1 67 . 1 1 7 7 PRO HA H 1 4.421 0.020 . 1 . . . . 529 PRO HA . 16005 1 68 . 1 1 7 7 PRO HB2 H 1 2.283 0.020 . 1 . . . . 529 PRO HB2 . 16005 1 69 . 1 1 7 7 PRO HB3 H 1 1.976 0.020 . 1 . . . . 529 PRO HB3 . 16005 1 70 . 1 1 7 7 PRO HD2 H 1 3.806 0.020 . 2 . . . . 529 PRO HD2 . 16005 1 71 . 1 1 7 7 PRO HD3 H 1 3.806 0.020 . 2 . . . . 529 PRO HD3 . 16005 1 72 . 1 1 7 7 PRO HG2 H 1 2.071 0.020 . 2 . . . . 529 PRO HG2 . 16005 1 73 . 1 1 7 7 PRO HG3 H 1 1.988 0.020 . 2 . . . . 529 PRO HG3 . 16005 1 74 . 1 1 7 7 PRO C C 13 172.650 0.300 . 1 . . . . 529 PRO C . 16005 1 75 . 1 1 7 7 PRO CA C 13 61.946 0.300 . 1 . . . . 529 PRO CA . 16005 1 76 . 1 1 7 7 PRO CB C 13 29.895 0.300 . 1 . . . . 529 PRO CB . 16005 1 77 . 1 1 7 7 PRO CD C 13 48.625 0.300 . 1 . . . . 529 PRO CD . 16005 1 78 . 1 1 7 7 PRO CG C 13 25.281 0.300 . 1 . . . . 529 PRO CG . 16005 1 79 . 1 1 8 8 GLU H H 1 8.442 0.020 . 1 . . . . 530 GLU H . 16005 1 80 . 1 1 8 8 GLU HA H 1 4.266 0.020 . 1 . . . . 530 GLU HA . 16005 1 81 . 1 1 8 8 GLU HB2 H 1 2.320 0.020 . 2 . . . . 530 GLU HB2 . 16005 1 82 . 1 1 8 8 GLU HB3 H 1 2.320 0.020 . 2 . . . . 530 GLU HB3 . 16005 1 83 . 1 1 8 8 GLU HG2 H 1 1.974 0.020 . 1 . . . . 530 GLU HG2 . 16005 1 84 . 1 1 8 8 GLU HG3 H 1 2.068 0.020 . 1 . . . . 530 GLU HG3 . 16005 1 85 . 1 1 8 8 GLU C C 13 172.470 0.300 . 1 . . . . 530 GLU C . 16005 1 86 . 1 1 8 8 GLU CA C 13 55.130 0.300 . 1 . . . . 530 GLU CA . 16005 1 87 . 1 1 8 8 GLU CB C 13 33.481 0.300 . 1 . . . . 530 GLU CB . 16005 1 88 . 1 1 8 8 GLU CG C 13 33.496 0.300 . 1 . . . . 530 GLU CG . 16005 1 89 . 1 1 8 8 GLU N N 15 119.474 0.300 . 1 . . . . 530 GLU N . 16005 1 90 . 1 1 9 9 GLY H H 1 8.297 0.020 . 1 . . . . 531 GLY H . 16005 1 91 . 1 1 9 9 GLY HA2 H 1 4.008 0.020 . 2 . . . . 531 GLY HA2 . 16005 1 92 . 1 1 9 9 GLY HA3 H 1 4.008 0.020 . 2 . . . . 531 GLY HA3 . 16005 1 93 . 1 1 9 9 GLY C C 13 169.965 0.300 . 1 . . . . 531 GLY C . 16005 1 94 . 1 1 9 9 GLY CA C 13 43.614 0.300 . 1 . . . . 531 GLY CA . 16005 1 95 . 1 1 9 9 GLY N N 15 109.565 0.300 . 1 . . . . 531 GLY N . 16005 1 96 . 1 1 10 10 SER H H 1 8.283 0.020 . 1 . . . . 532 SER H . 16005 1 97 . 1 1 10 10 SER HA H 1 4.390 0.020 . 1 . . . . 532 SER HA . 16005 1 98 . 1 1 10 10 SER HB2 H 1 3.902 0.020 . 2 . . . . 532 SER HB2 . 16005 1 99 . 1 1 10 10 SER HB3 H 1 3.902 0.020 . 2 . . . . 532 SER HB3 . 16005 1 100 . 1 1 10 10 SER C C 13 170.724 0.300 . 1 . . . . 532 SER C . 16005 1 101 . 1 1 10 10 SER CA C 13 57.338 0.300 . 1 . . . . 532 SER CA . 16005 1 102 . 1 1 10 10 SER CB C 13 61.617 0.300 . 1 . . . . 532 SER CB . 16005 1 103 . 1 1 10 10 SER N N 15 115.861 0.300 . 1 . . . . 532 SER N . 16005 1 104 . 1 1 11 11 GLY H H 1 8.483 0.020 . 1 . . . . 533 GLY H . 16005 1 105 . 1 1 11 11 GLY HA2 H 1 3.963 0.020 . 2 . . . . 533 GLY HA2 . 16005 1 106 . 1 1 11 11 GLY HA3 H 1 3.963 0.020 . 2 . . . . 533 GLY HA3 . 16005 1 107 . 1 1 11 11 GLY C C 13 169.835 0.300 . 1 . . . . 533 GLY C . 16005 1 108 . 1 1 11 11 GLY CA C 13 44.049 0.300 . 1 . . . . 533 GLY CA . 16005 1 109 . 1 1 11 11 GLY N N 15 110.297 0.300 . 1 . . . . 533 GLY N . 16005 1 110 . 1 1 12 12 ASN H H 1 8.232 0.020 . 1 . . . . 534 ASN H . 16005 1 111 . 1 1 12 12 ASN HA H 1 4.639 0.020 . 1 . . . . 534 ASN HA . 16005 1 112 . 1 1 12 12 ASN HB2 H 1 2.843 0.020 . 2 . . . . 534 ASN HB2 . 16005 1 113 . 1 1 12 12 ASN HB3 H 1 2.843 0.020 . 2 . . . . 534 ASN HB3 . 16005 1 114 . 1 1 12 12 ASN HD21 H 1 7.542 0.020 . 2 . . . . 534 ASN HD21 . 16005 1 115 . 1 1 12 12 ASN HD22 H 1 6.891 0.020 . 2 . . . . 534 ASN HD22 . 16005 1 116 . 1 1 12 12 ASN C C 13 171.961 0.300 . 1 . . . . 534 ASN C . 16005 1 117 . 1 1 12 12 ASN CA C 13 52.283 0.300 . 1 . . . . 534 ASN CA . 16005 1 118 . 1 1 12 12 ASN CB C 13 36.518 0.300 . 1 . . . . 534 ASN CB . 16005 1 119 . 1 1 12 12 ASN N N 15 118.702 0.300 . 1 . . . . 534 ASN N . 16005 1 120 . 1 1 12 12 ASN ND2 N 15 111.223 0.300 . 1 . . . . 534 ASN ND2 . 16005 1 121 . 1 1 13 13 LEU H H 1 8.345 0.020 . 1 . . . . 535 LEU H . 16005 1 122 . 1 1 13 13 LEU HA H 1 4.103 0.020 . 1 . . . . 535 LEU HA . 16005 1 123 . 1 1 13 13 LEU HB2 H 1 1.817 0.020 . 1 . . . . 535 LEU HB2 . 16005 1 124 . 1 1 13 13 LEU HB3 H 1 1.599 0.020 . 1 . . . . 535 LEU HB3 . 16005 1 125 . 1 1 13 13 LEU HD11 H 1 0.873 0.020 . 1 . . . . 535 LEU HD1 . 16005 1 126 . 1 1 13 13 LEU HD12 H 1 0.873 0.020 . 1 . . . . 535 LEU HD1 . 16005 1 127 . 1 1 13 13 LEU HD13 H 1 0.873 0.020 . 1 . . . . 535 LEU HD1 . 16005 1 128 . 1 1 13 13 LEU HD21 H 1 0.941 0.020 . 1 . . . . 535 LEU HD2 . 16005 1 129 . 1 1 13 13 LEU HD22 H 1 0.941 0.020 . 1 . . . . 535 LEU HD2 . 16005 1 130 . 1 1 13 13 LEU HD23 H 1 0.941 0.020 . 1 . . . . 535 LEU HD2 . 16005 1 131 . 1 1 13 13 LEU HG H 1 1.761 0.020 . 1 . . . . 535 LEU HG . 16005 1 132 . 1 1 13 13 LEU C C 13 173.518 0.300 . 1 . . . . 535 LEU C . 16005 1 133 . 1 1 13 13 LEU CA C 13 55.586 0.300 . 1 . . . . 535 LEU CA . 16005 1 134 . 1 1 13 13 LEU CB C 13 39.752 0.300 . 1 . . . . 535 LEU CB . 16005 1 135 . 1 1 13 13 LEU CD1 C 13 21.963 0.300 . 1 . . . . 535 LEU CD1 . 16005 1 136 . 1 1 13 13 LEU CD2 C 13 22.887 0.300 . 1 . . . . 535 LEU CD2 . 16005 1 137 . 1 1 13 13 LEU CG C 13 25.141 0.300 . 1 . . . . 535 LEU CG . 16005 1 138 . 1 1 13 13 LEU N N 15 121.181 0.300 . 1 . . . . 535 LEU N . 16005 1 139 . 1 1 14 14 ALA H H 1 8.150 0.020 . 1 . . . . 536 ALA H . 16005 1 140 . 1 1 14 14 ALA HA H 1 4.022 0.020 . 1 . . . . 536 ALA HA . 16005 1 141 . 1 1 14 14 ALA HB1 H 1 1.497 0.020 . 1 . . . . 536 ALA HB . 16005 1 142 . 1 1 14 14 ALA HB2 H 1 1.497 0.020 . 1 . . . . 536 ALA HB . 16005 1 143 . 1 1 14 14 ALA HB3 H 1 1.497 0.020 . 1 . . . . 536 ALA HB . 16005 1 144 . 1 1 14 14 ALA C C 13 174.636 0.300 . 1 . . . . 536 ALA C . 16005 1 145 . 1 1 14 14 ALA CA C 13 53.376 0.300 . 1 . . . . 536 ALA CA . 16005 1 146 . 1 1 14 14 ALA CB C 13 16.333 0.300 . 1 . . . . 536 ALA CB . 16005 1 147 . 1 1 14 14 ALA N N 15 120.839 0.300 . 1 . . . . 536 ALA N . 16005 1 148 . 1 1 15 15 VAL H H 1 7.607 0.020 . 1 . . . . 537 VAL H . 16005 1 149 . 1 1 15 15 VAL HA H 1 3.706 0.020 . 1 . . . . 537 VAL HA . 16005 1 150 . 1 1 15 15 VAL HB H 1 2.215 0.020 . 1 . . . . 537 VAL HB . 16005 1 151 . 1 1 15 15 VAL HG11 H 1 0.919 0.020 . 2 . . . . 537 VAL HG1 . 16005 1 152 . 1 1 15 15 VAL HG12 H 1 0.919 0.020 . 2 . . . . 537 VAL HG1 . 16005 1 153 . 1 1 15 15 VAL HG13 H 1 0.919 0.020 . 2 . . . . 537 VAL HG1 . 16005 1 154 . 1 1 15 15 VAL HG21 H 1 1.062 0.020 . 2 . . . . 537 VAL HG2 . 16005 1 155 . 1 1 15 15 VAL HG22 H 1 1.062 0.020 . 2 . . . . 537 VAL HG2 . 16005 1 156 . 1 1 15 15 VAL HG23 H 1 1.062 0.020 . 2 . . . . 537 VAL HG2 . 16005 1 157 . 1 1 15 15 VAL C C 13 172.670 0.300 . 1 . . . . 537 VAL C . 16005 1 158 . 1 1 15 15 VAL CA C 13 64.158 0.300 . 1 . . . . 537 VAL CA . 16005 1 159 . 1 1 15 15 VAL CB C 13 29.213 0.300 . 1 . . . . 537 VAL CB . 16005 1 160 . 1 1 15 15 VAL CG1 C 13 19.310 0.300 . 1 . . . . 537 VAL CG1 . 16005 1 161 . 1 1 15 15 VAL CG2 C 13 20.818 0.300 . 1 . . . . 537 VAL CG2 . 16005 1 162 . 1 1 15 15 VAL N N 15 116.496 0.300 . 1 . . . . 537 VAL N . 16005 1 163 . 1 1 16 16 ILE H H 1 7.945 0.020 . 1 . . . . 538 ILE H . 16005 1 164 . 1 1 16 16 ILE HA H 1 3.636 0.020 . 1 . . . . 538 ILE HA . 16005 1 165 . 1 1 16 16 ILE HB H 1 1.930 0.020 . 1 . . . . 538 ILE HB . 16005 1 166 . 1 1 16 16 ILE HD11 H 1 0.847 0.020 . 1 . . . . 538 ILE HD1 . 16005 1 167 . 1 1 16 16 ILE HD12 H 1 0.847 0.020 . 1 . . . . 538 ILE HD1 . 16005 1 168 . 1 1 16 16 ILE HD13 H 1 0.847 0.020 . 1 . . . . 538 ILE HD1 . 16005 1 169 . 1 1 16 16 ILE HG12 H 1 1.756 0.020 . 1 . . . . 538 ILE HG12 . 16005 1 170 . 1 1 16 16 ILE HG13 H 1 1.171 0.020 . 1 . . . . 538 ILE HG13 . 16005 1 171 . 1 1 16 16 ILE HG21 H 1 0.894 0.020 . 1 . . . . 538 ILE HG2 . 16005 1 172 . 1 1 16 16 ILE HG22 H 1 0.894 0.020 . 1 . . . . 538 ILE HG2 . 16005 1 173 . 1 1 16 16 ILE HG23 H 1 0.894 0.020 . 1 . . . . 538 ILE HG2 . 16005 1 174 . 1 1 16 16 ILE C C 13 173.039 0.300 . 1 . . . . 538 ILE C . 16005 1 175 . 1 1 16 16 ILE CA C 13 62.754 0.300 . 1 . . . . 538 ILE CA . 16005 1 176 . 1 1 16 16 ILE CB C 13 35.695 0.300 . 1 . . . . 538 ILE CB . 16005 1 177 . 1 1 16 16 ILE CD1 C 13 11.197 0.300 . 1 . . . . 538 ILE CD1 . 16005 1 178 . 1 1 16 16 ILE CG1 C 13 27.101 0.300 . 1 . . . . 538 ILE CG1 . 16005 1 179 . 1 1 16 16 ILE CG2 C 13 15.566 0.300 . 1 . . . . 538 ILE CG2 . 16005 1 180 . 1 1 16 16 ILE N N 15 118.509 0.300 . 1 . . . . 538 ILE N . 16005 1 181 . 1 1 17 17 GLY H H 1 8.637 0.020 . 1 . . . . 539 GLY H . 16005 1 182 . 1 1 17 17 GLY HA2 H 1 3.631 0.020 . 2 . . . . 539 GLY HA2 . 16005 1 183 . 1 1 17 17 GLY HA3 H 1 3.743 0.020 . 2 . . . . 539 GLY HA3 . 16005 1 184 . 1 1 17 17 GLY C C 13 170.145 0.300 . 1 . . . . 539 GLY C . 16005 1 185 . 1 1 17 17 GLY CA C 13 45.328 0.300 . 1 . . . . 539 GLY CA . 16005 1 186 . 1 1 17 17 GLY N N 15 106.430 0.300 . 1 . . . . 539 GLY N . 16005 1 187 . 1 1 18 18 GLY H H 1 8.336 0.020 . 1 . . . . 540 GLY H . 16005 1 188 . 1 1 18 18 GLY HA2 H 1 3.722 0.040 . 2 . . . . 540 GLY HA2 . 16005 1 189 . 1 1 18 18 GLY HA3 H 1 3.722 0.040 . 2 . . . . 540 GLY HA3 . 16005 1 190 . 1 1 18 18 GLY C C 13 170.424 0.300 . 1 . . . . 540 GLY C . 16005 1 191 . 1 1 18 18 GLY CA C 13 45.517 0.500 . 1 . . . . 540 GLY CA . 16005 1 192 . 1 1 18 18 GLY N N 15 108.602 0.300 . 1 . . . . 540 GLY N . 16005 1 193 . 1 1 19 19 VAL H H 1 8.389 0.020 . 1 . . . . 541 VAL H . 16005 1 194 . 1 1 19 19 VAL HA H 1 3.597 0.020 . 1 . . . . 541 VAL HA . 16005 1 195 . 1 1 19 19 VAL HB H 1 2.246 0.020 . 1 . . . . 541 VAL HB . 16005 1 196 . 1 1 19 19 VAL HG11 H 1 0.866 0.020 . 2 . . . . 541 VAL HG1 . 16005 1 197 . 1 1 19 19 VAL HG12 H 1 0.866 0.020 . 2 . . . . 541 VAL HG1 . 16005 1 198 . 1 1 19 19 VAL HG13 H 1 0.866 0.020 . 2 . . . . 541 VAL HG1 . 16005 1 199 . 1 1 19 19 VAL HG21 H 1 1.053 0.020 . 2 . . . . 541 VAL HG2 . 16005 1 200 . 1 1 19 19 VAL HG22 H 1 1.053 0.020 . 2 . . . . 541 VAL HG2 . 16005 1 201 . 1 1 19 19 VAL HG23 H 1 1.053 0.020 . 2 . . . . 541 VAL HG2 . 16005 1 202 . 1 1 19 19 VAL C C 13 172.470 0.300 . 1 . . . . 541 VAL C . 16005 1 203 . 1 1 19 19 VAL CA C 13 64.895 0.300 . 1 . . . . 541 VAL CA . 16005 1 204 . 1 1 19 19 VAL CB C 13 29.462 0.300 . 1 . . . . 541 VAL CB . 16005 1 205 . 1 1 19 19 VAL CG1 C 13 19.664 0.300 . 2 . . . . 541 VAL CG1 . 16005 1 206 . 1 1 19 19 VAL CG2 C 13 21.521 0.300 . 2 . . . . 541 VAL CG2 . 16005 1 207 . 1 1 19 19 VAL N N 15 120.995 0.300 . 1 . . . . 541 VAL N . 16005 1 208 . 1 1 20 20 ALA H H 1 8.333 0.020 . 1 . . . . 542 ALA H . 16005 1 209 . 1 1 20 20 ALA HA H 1 3.903 0.020 . 1 . . . . 542 ALA HA . 16005 1 210 . 1 1 20 20 ALA HB1 H 1 1.476 0.020 . 1 . . . . 542 ALA HB . 16005 1 211 . 1 1 20 20 ALA HB2 H 1 1.476 0.020 . 1 . . . . 542 ALA HB . 16005 1 212 . 1 1 20 20 ALA HB3 H 1 1.476 0.020 . 1 . . . . 542 ALA HB . 16005 1 213 . 1 1 20 20 ALA C C 13 174.107 0.300 . 1 . . . . 542 ALA C . 16005 1 214 . 1 1 20 20 ALA CA C 13 53.852 0.300 . 1 . . . . 542 ALA CA . 16005 1 215 . 1 1 20 20 ALA CB C 13 16.183 0.300 . 1 . . . . 542 ALA CB . 16005 1 216 . 1 1 20 20 ALA N N 15 120.734 0.300 . 1 . . . . 542 ALA N . 16005 1 217 . 1 1 21 21 VAL H H 1 8.215 0.020 . 1 . . . . 543 VAL H . 16005 1 218 . 1 1 21 21 VAL HA H 1 3.476 0.020 . 1 . . . . 543 VAL HA . 16005 1 219 . 1 1 21 21 VAL HB H 1 2.215 0.020 . 2 . . . . 543 VAL HB . 16005 1 220 . 1 1 21 21 VAL HG11 H 1 0.878 0.020 . 2 . . . . 543 VAL HG1 . 16005 1 221 . 1 1 21 21 VAL HG12 H 1 0.878 0.020 . 2 . . . . 543 VAL HG1 . 16005 1 222 . 1 1 21 21 VAL HG13 H 1 0.878 0.020 . 2 . . . . 543 VAL HG1 . 16005 1 223 . 1 1 21 21 VAL HG21 H 1 1.057 0.020 . 2 . . . . 543 VAL HG2 . 16005 1 224 . 1 1 21 21 VAL HG22 H 1 1.057 0.020 . 2 . . . . 543 VAL HG2 . 16005 1 225 . 1 1 21 21 VAL HG23 H 1 1.057 0.020 . 2 . . . . 543 VAL HG2 . 16005 1 226 . 1 1 21 21 VAL C C 13 172.780 0.300 . 1 . . . . 543 VAL C . 16005 1 227 . 1 1 21 21 VAL CA C 13 64.639 0.300 . 1 . . . . 543 VAL CA . 16005 1 228 . 1 1 21 21 VAL CB C 13 29.201 0.300 . 2 . . . . 543 VAL CB . 16005 1 229 . 1 1 21 21 VAL CG1 C 13 19.613 0.300 . 2 . . . . 543 VAL CG1 . 16005 1 230 . 1 1 21 21 VAL CG2 C 13 21.597 0.300 . 2 . . . . 543 VAL CG2 . 16005 1 231 . 1 1 21 21 VAL N N 15 115.443 0.300 . 1 . . . . 543 VAL N . 16005 1 232 . 1 1 22 22 GLY H H 1 8.373 0.020 . 1 . . . . 544 GLY H . 16005 1 233 . 1 1 22 22 GLY HA2 H 1 3.644 0.030 . 2 . . . . 544 GLY HA2 . 16005 1 234 . 1 1 22 22 GLY HA3 H 1 3.644 0.030 . 2 . . . . 544 GLY HA3 . 16005 1 235 . 1 1 22 22 GLY C C 13 169.775 0.300 . 1 . . . . 544 GLY C . 16005 1 236 . 1 1 22 22 GLY CA C 13 45.662 0.400 . 1 . . . . 544 GLY CA . 16005 1 237 . 1 1 22 22 GLY N N 15 107.113 0.300 . 1 . . . . 544 GLY N . 16005 1 238 . 1 1 23 23 VAL H H 1 8.586 0.020 . 1 . . . . 545 VAL H . 16005 1 239 . 1 1 23 23 VAL HA H 1 3.533 0.020 . 1 . . . . 545 VAL HA . 16005 1 240 . 1 1 23 23 VAL HB H 1 2.254 0.020 . 2 . . . . 545 VAL HB . 16005 1 241 . 1 1 23 23 VAL HG11 H 1 0.872 0.020 . 2 . . . . 545 VAL HG1 . 16005 1 242 . 1 1 23 23 VAL HG12 H 1 0.872 0.020 . 2 . . . . 545 VAL HG1 . 16005 1 243 . 1 1 23 23 VAL HG13 H 1 0.872 0.020 . 2 . . . . 545 VAL HG1 . 16005 1 244 . 1 1 23 23 VAL HG21 H 1 1.042 0.020 . 2 . . . . 545 VAL HG2 . 16005 1 245 . 1 1 23 23 VAL HG22 H 1 1.042 0.020 . 2 . . . . 545 VAL HG2 . 16005 1 246 . 1 1 23 23 VAL HG23 H 1 1.042 0.020 . 2 . . . . 545 VAL HG2 . 16005 1 247 . 1 1 23 23 VAL C C 13 172.550 0.300 . 1 . . . . 545 VAL C . 16005 1 248 . 1 1 23 23 VAL CA C 13 65.357 0.300 . 1 . . . . 545 VAL CA . 16005 1 249 . 1 1 23 23 VAL CB C 13 29.342 0.300 . 2 . . . . 545 VAL CB . 16005 1 250 . 1 1 23 23 VAL CG1 C 13 19.487 0.300 . 2 . . . . 545 VAL CG1 . 16005 1 251 . 1 1 23 23 VAL CG2 C 13 21.446 0.300 . 2 . . . . 545 VAL CG2 . 16005 1 252 . 1 1 23 23 VAL N N 15 120.149 0.300 . 1 . . . . 545 VAL N . 16005 1 253 . 1 1 24 24 VAL H H 1 8.006 0.020 . 1 . . . . 546 VAL H . 16005 1 254 . 1 1 24 24 VAL HA H 1 3.498 0.020 . 1 . . . . 546 VAL HA . 16005 1 255 . 1 1 24 24 VAL HB H 1 2.279 0.020 . 2 . . . . 546 VAL HB . 16005 1 256 . 1 1 24 24 VAL HG11 H 1 1.044 0.020 . 2 . . . . 546 VAL HG1 . 16005 1 257 . 1 1 24 24 VAL HG12 H 1 1.044 0.020 . 2 . . . . 546 VAL HG1 . 16005 1 258 . 1 1 24 24 VAL HG13 H 1 1.044 0.020 . 2 . . . . 546 VAL HG1 . 16005 1 259 . 1 1 24 24 VAL HG21 H 1 0.877 0.020 . 2 . . . . 546 VAL HG2 . 16005 1 260 . 1 1 24 24 VAL HG22 H 1 0.877 0.020 . 2 . . . . 546 VAL HG2 . 16005 1 261 . 1 1 24 24 VAL HG23 H 1 0.877 0.020 . 2 . . . . 546 VAL HG2 . 16005 1 262 . 1 1 24 24 VAL C C 13 172.660 0.300 . 1 . . . . 546 VAL C . 16005 1 263 . 1 1 24 24 VAL CA C 13 65.743 0.300 . 1 . . . . 546 VAL CA . 16005 1 264 . 1 1 24 24 VAL CB C 13 29.293 0.300 . 2 . . . . 546 VAL CB . 16005 1 265 . 1 1 24 24 VAL CG1 C 13 21.599 0.300 . 2 . . . . 546 VAL CG1 . 16005 1 266 . 1 1 24 24 VAL CG2 C 13 19.660 0.300 . 2 . . . . 546 VAL CG2 . 16005 1 267 . 1 1 24 24 VAL N N 15 118.656 0.300 . 1 . . . . 546 VAL N . 16005 1 268 . 1 1 25 25 LEU H H 1 8.508 0.020 . 1 . . . . 547 LEU H . 16005 1 269 . 1 1 25 25 LEU HA H 1 3.923 0.050 . 2 . . . . 547 LEU HA . 16005 1 270 . 1 1 25 25 LEU HB2 H 1 1.865 0.020 . 2 . . . . 547 LEU HB2 . 16005 1 271 . 1 1 25 25 LEU HB3 H 1 1.589 0.020 . 2 . . . . 547 LEU HB3 . 16005 1 272 . 1 1 25 25 LEU HD11 H 1 0.849 0.020 . 2 . . . . 547 LEU HD1 . 16005 1 273 . 1 1 25 25 LEU HD12 H 1 0.849 0.020 . 2 . . . . 547 LEU HD1 . 16005 1 274 . 1 1 25 25 LEU HD13 H 1 0.849 0.020 . 2 . . . . 547 LEU HD1 . 16005 1 275 . 1 1 25 25 LEU HD21 H 1 0.802 0.020 . 1 . . . . 547 LEU HD2 . 16005 1 276 . 1 1 25 25 LEU HD22 H 1 0.802 0.020 . 1 . . . . 547 LEU HD2 . 16005 1 277 . 1 1 25 25 LEU HD23 H 1 0.802 0.020 . 1 . . . . 547 LEU HD2 . 16005 1 278 . 1 1 25 25 LEU HG H 1 1.852 0.020 . 2 . . . . 547 LEU HG . 16005 1 279 . 1 1 25 25 LEU C C 13 173.608 0.300 . 1 . . . . 547 LEU C . 16005 1 280 . 1 1 25 25 LEU CA C 13 56.399 0.600 . 2 . . . . 547 LEU CA . 16005 1 281 . 1 1 25 25 LEU CB C 13 39.486 0.300 . 2 . . . . 547 LEU CB . 16005 1 282 . 1 1 25 25 LEU CD1 C 13 22.980 0.300 . 2 . . . . 547 LEU CD1 . 16005 1 283 . 1 1 25 25 LEU CD2 C 13 21.865 0.300 . 2 . . . . 547 LEU CD2 . 16005 1 284 . 1 1 25 25 LEU CG C 13 24.836 0.300 . 2 . . . . 547 LEU CG . 16005 1 285 . 1 1 25 25 LEU N N 15 118.309 0.300 . 1 . . . . 547 LEU N . 16005 1 286 . 1 1 26 26 LEU H H 1 8.165 0.020 . 1 . . . . 548 LEU H . 16005 1 287 . 1 1 26 26 LEU HA H 1 3.959 0.050 . 2 . . . . 548 LEU HA . 16005 1 288 . 1 1 26 26 LEU HB2 H 1 1.922 0.020 . 2 . . . . 548 LEU HB2 . 16005 1 289 . 1 1 26 26 LEU HB3 H 1 1.603 0.020 . 2 . . . . 548 LEU HB3 . 16005 1 290 . 1 1 26 26 LEU HD11 H 1 0.810 0.020 . 1 . . . . 548 LEU HD1 . 16005 1 291 . 1 1 26 26 LEU HD12 H 1 0.810 0.020 . 1 . . . . 548 LEU HD1 . 16005 1 292 . 1 1 26 26 LEU HD13 H 1 0.810 0.020 . 1 . . . . 548 LEU HD1 . 16005 1 293 . 1 1 26 26 LEU HD21 H 1 0.825 0.020 . 1 . . . . 548 LEU HD2 . 16005 1 294 . 1 1 26 26 LEU HD22 H 1 0.825 0.020 . 1 . . . . 548 LEU HD2 . 16005 1 295 . 1 1 26 26 LEU HD23 H 1 0.825 0.020 . 1 . . . . 548 LEU HD2 . 16005 1 296 . 1 1 26 26 LEU HG H 1 1.887 0.020 . 2 . . . . 548 LEU HG . 16005 1 297 . 1 1 26 26 LEU C C 13 173.608 0.300 . 1 . . . . 548 LEU C . 16005 1 298 . 1 1 26 26 LEU CA C 13 56.403 0.600 . 2 . . . . 548 LEU CA . 16005 1 299 . 1 1 26 26 LEU CB C 13 39.593 0.300 . 2 . . . . 548 LEU CB . 16005 1 300 . 1 1 26 26 LEU CD1 C 13 23.667 0.300 . 1 . . . . 548 LEU CD1 . 16005 1 301 . 1 1 26 26 LEU CD2 C 13 22.002 0.300 . 1 . . . . 548 LEU CD2 . 16005 1 302 . 1 1 26 26 LEU CG C 13 25.077 0.300 . 2 . . . . 548 LEU CG . 16005 1 303 . 1 1 26 26 LEU N N 15 118.103 0.300 . 1 . . . . 548 LEU N . 16005 1 304 . 1 1 27 27 LEU H H 1 8.174 0.020 . 1 . . . . 549 LEU H . 16005 1 305 . 1 1 27 27 LEU HA H 1 3.981 0.050 . 2 . . . . 549 LEU HA . 16005 1 306 . 1 1 27 27 LEU HB2 H 1 2.026 0.020 . 2 . . . . 549 LEU HB2 . 16005 1 307 . 1 1 27 27 LEU HB3 H 1 1.478 0.020 . 2 . . . . 549 LEU HB3 . 16005 1 308 . 1 1 27 27 LEU HD11 H 1 0.849 0.020 . 2 . . . . 549 LEU HD1 . 16005 1 309 . 1 1 27 27 LEU HD12 H 1 0.849 0.020 . 2 . . . . 549 LEU HD1 . 16005 1 310 . 1 1 27 27 LEU HD13 H 1 0.849 0.020 . 2 . . . . 549 LEU HD1 . 16005 1 311 . 1 1 27 27 LEU HD21 H 1 0.783 0.020 . 1 . . . . 549 LEU HD2 . 16005 1 312 . 1 1 27 27 LEU HD22 H 1 0.783 0.020 . 1 . . . . 549 LEU HD2 . 16005 1 313 . 1 1 27 27 LEU HD23 H 1 0.783 0.020 . 1 . . . . 549 LEU HD2 . 16005 1 314 . 1 1 27 27 LEU HG H 1 1.913 0.020 . 2 . . . . 549 LEU HG . 16005 1 315 . 1 1 27 27 LEU C C 13 174.167 0.300 . 1 . . . . 549 LEU C . 16005 1 316 . 1 1 27 27 LEU CA C 13 56.167 0.600 . 2 . . . . 549 LEU CA . 16005 1 317 . 1 1 27 27 LEU CB C 13 39.495 0.300 . 2 . . . . 549 LEU CB . 16005 1 318 . 1 1 27 27 LEU CD1 C 13 23.062 0.300 . 2 . . . . 549 LEU CD1 . 16005 1 319 . 1 1 27 27 LEU CD2 C 13 21.180 0.300 . 1 . . . . 549 LEU CD2 . 16005 1 320 . 1 1 27 27 LEU CG C 13 25.110 0.300 . 2 . . . . 549 LEU CG . 16005 1 321 . 1 1 27 27 LEU N N 15 118.326 0.300 . 1 . . . . 549 LEU N . 16005 1 322 . 1 1 28 28 VAL H H 1 8.412 0.020 . 1 . . . . 550 VAL H . 16005 1 323 . 1 1 28 28 VAL HA H 1 3.564 0.020 . 1 . . . . 550 VAL HA . 16005 1 324 . 1 1 28 28 VAL HB H 1 2.282 0.020 . 2 . . . . 550 VAL HB . 16005 1 325 . 1 1 28 28 VAL HG11 H 1 0.872 0.020 . 2 . . . . 550 VAL HG1 . 16005 1 326 . 1 1 28 28 VAL HG12 H 1 0.872 0.020 . 2 . . . . 550 VAL HG1 . 16005 1 327 . 1 1 28 28 VAL HG13 H 1 0.872 0.020 . 2 . . . . 550 VAL HG1 . 16005 1 328 . 1 1 28 28 VAL HG21 H 1 1.033 0.020 . 2 . . . . 550 VAL HG2 . 16005 1 329 . 1 1 28 28 VAL HG22 H 1 1.033 0.020 . 2 . . . . 550 VAL HG2 . 16005 1 330 . 1 1 28 28 VAL HG23 H 1 1.033 0.020 . 2 . . . . 550 VAL HG2 . 16005 1 331 . 1 1 28 28 VAL C C 13 172.959 0.300 . 1 . . . . 550 VAL C . 16005 1 332 . 1 1 28 28 VAL CA C 13 65.132 0.300 . 1 . . . . 550 VAL CA . 16005 1 333 . 1 1 28 28 VAL CB C 13 29.537 0.300 . 2 . . . . 550 VAL CB . 16005 1 334 . 1 1 28 28 VAL CG1 C 13 19.633 0.300 . 2 . . . . 550 VAL CG1 . 16005 1 335 . 1 1 28 28 VAL CG2 C 13 21.461 0.300 . 2 . . . . 550 VAL CG2 . 16005 1 336 . 1 1 28 28 VAL N N 15 118.364 0.300 . 1 . . . . 550 VAL N . 16005 1 337 . 1 1 29 29 LEU H H 1 8.447 0.020 . 1 . . . . 551 LEU H . 16005 1 338 . 1 1 29 29 LEU HA H 1 3.953 0.050 . 2 . . . . 551 LEU HA . 16005 1 339 . 1 1 29 29 LEU HB2 H 1 1.480 0.020 . 2 . . . . 551 LEU HB2 . 16005 1 340 . 1 1 29 29 LEU HB3 H 1 1.948 0.020 . 2 . . . . 551 LEU HB3 . 16005 1 341 . 1 1 29 29 LEU HD11 H 1 0.805 0.020 . 2 . . . . 551 LEU HD1 . 16005 1 342 . 1 1 29 29 LEU HD12 H 1 0.805 0.020 . 2 . . . . 551 LEU HD1 . 16005 1 343 . 1 1 29 29 LEU HD13 H 1 0.805 0.020 . 2 . . . . 551 LEU HD1 . 16005 1 344 . 1 1 29 29 LEU HD21 H 1 0.837 0.020 . 1 . . . . 551 LEU HD2 . 16005 1 345 . 1 1 29 29 LEU HD22 H 1 0.837 0.020 . 1 . . . . 551 LEU HD2 . 16005 1 346 . 1 1 29 29 LEU HD23 H 1 0.837 0.020 . 1 . . . . 551 LEU HD2 . 16005 1 347 . 1 1 29 29 LEU HG H 1 1.884 0.020 . 2 . . . . 551 LEU HG . 16005 1 348 . 1 1 29 29 LEU C C 13 174.008 0.300 . 1 . . . . 551 LEU C . 16005 1 349 . 1 1 29 29 LEU CA C 13 56.331 0.600 . 2 . . . . 551 LEU CA . 16005 1 350 . 1 1 29 29 LEU CB C 13 39.787 0.300 . 2 . . . . 551 LEU CB . 16005 1 351 . 1 1 29 29 LEU CD1 C 13 21.426 0.300 . 2 . . . . 551 LEU CD1 . 16005 1 352 . 1 1 29 29 LEU CD2 C 13 22.996 0.300 . 1 . . . . 551 LEU CD2 . 16005 1 353 . 1 1 29 29 LEU CG C 13 24.801 0.300 . 2 . . . . 551 LEU CG . 16005 1 354 . 1 1 29 29 LEU N N 15 118.916 0.300 . 1 . . . . 551 LEU N . 16005 1 355 . 1 1 30 30 ALA H H 1 8.598 0.020 . 1 . . . . 552 ALA H . 16005 1 356 . 1 1 30 30 ALA HA H 1 3.964 0.020 . 1 . . . . 552 ALA HA . 16005 1 357 . 1 1 30 30 ALA HB1 H 1 1.466 0.020 . 1 . . . . 552 ALA HB . 16005 1 358 . 1 1 30 30 ALA HB2 H 1 1.466 0.020 . 1 . . . . 552 ALA HB . 16005 1 359 . 1 1 30 30 ALA HB3 H 1 1.466 0.020 . 1 . . . . 552 ALA HB . 16005 1 360 . 1 1 30 30 ALA C C 13 174.676 0.300 . 1 . . . . 552 ALA C . 16005 1 361 . 1 1 30 30 ALA CA C 13 53.520 0.300 . 1 . . . . 552 ALA CA . 16005 1 362 . 1 1 30 30 ALA CB C 13 15.805 0.300 . 1 . . . . 552 ALA CB . 16005 1 363 . 1 1 30 30 ALA N N 15 120.317 0.300 . 1 . . . . 552 ALA N . 16005 1 364 . 1 1 31 31 GLY H H 1 8.587 0.020 . 1 . . . . 553 GLY H . 16005 1 365 . 1 1 31 31 GLY HA2 H 1 3.701 0.030 . 2 . . . . 553 GLY HA2 . 16005 1 366 . 1 1 31 31 GLY HA3 H 1 3.826 0.030 . 2 . . . . 553 GLY HA3 . 16005 1 367 . 1 1 31 31 GLY C C 13 170.344 0.300 . 1 . . . . 553 GLY C . 16005 1 368 . 1 1 31 31 GLY CA C 13 45.715 0.400 . 1 . . . . 553 GLY CA . 16005 1 369 . 1 1 31 31 GLY N N 15 105.666 0.300 . 1 . . . . 553 GLY N . 16005 1 370 . 1 1 32 32 VAL H H 1 8.712 0.020 . 1 . . . . 554 VAL H . 16005 1 371 . 1 1 32 32 VAL HA H 1 3.799 0.020 . 1 . . . . 554 VAL HA . 16005 1 372 . 1 1 32 32 VAL HB H 1 2.323 0.020 . 2 . . . . 554 VAL HB . 16005 1 373 . 1 1 32 32 VAL HG11 H 1 0.982 0.020 . 2 . . . . 554 VAL HG1 . 16005 1 374 . 1 1 32 32 VAL HG12 H 1 0.982 0.020 . 2 . . . . 554 VAL HG1 . 16005 1 375 . 1 1 32 32 VAL HG13 H 1 0.982 0.020 . 2 . . . . 554 VAL HG1 . 16005 1 376 . 1 1 32 32 VAL HG21 H 1 1.095 0.020 . 2 . . . . 554 VAL HG2 . 16005 1 377 . 1 1 32 32 VAL HG22 H 1 1.095 0.020 . 2 . . . . 554 VAL HG2 . 16005 1 378 . 1 1 32 32 VAL HG23 H 1 1.095 0.020 . 2 . . . . 554 VAL HG2 . 16005 1 379 . 1 1 32 32 VAL C C 13 173.239 0.300 . 1 . . . . 554 VAL C . 16005 1 380 . 1 1 32 32 VAL CA C 13 65.063 0.300 . 1 . . . . 554 VAL CA . 16005 1 381 . 1 1 32 32 VAL CB C 13 29.675 0.300 . 2 . . . . 554 VAL CB . 16005 1 382 . 1 1 32 32 VAL CG1 C 13 19.829 0.300 . 1 . . . . 554 VAL CG1 . 16005 1 383 . 1 1 32 32 VAL CG2 C 13 21.230 0.300 . 1 . . . . 554 VAL CG2 . 16005 1 384 . 1 1 32 32 VAL N N 15 121.095 0.300 . 1 . . . . 554 VAL N . 16005 1 385 . 1 1 33 33 GLY H H 1 8.610 0.020 . 1 . . . . 555 GLY H . 16005 1 386 . 1 1 33 33 GLY HA2 H 1 3.752 0.050 . 2 . . . . 555 GLY HA2 . 16005 1 387 . 1 1 33 33 GLY HA3 H 1 3.752 0.050 . 2 . . . . 555 GLY HA3 . 16005 1 388 . 1 1 33 33 GLY C C 13 170.424 0.300 . 1 . . . . 555 GLY C . 16005 1 389 . 1 1 33 33 GLY CA C 13 45.431 0.500 . 1 . . . . 555 GLY CA . 16005 1 390 . 1 1 33 33 GLY N N 15 106.635 0.300 . 1 . . . . 555 GLY N . 16005 1 391 . 1 1 34 34 PHE H H 1 8.569 0.020 . 1 . . . . 556 PHE H . 16005 1 392 . 1 1 34 34 PHE HA H 1 4.261 0.020 . 1 . . . . 556 PHE HA . 16005 1 393 . 1 1 34 34 PHE HB2 H 1 3.215 0.020 . 2 . . . . 556 PHE HB2 . 16005 1 394 . 1 1 34 34 PHE HB3 H 1 3.165 0.020 . 2 . . . . 556 PHE HB3 . 16005 1 395 . 1 1 34 34 PHE HD1 H 1 7.048 0.020 . 3 . . . . 556 PHE HD1 . 16005 1 396 . 1 1 34 34 PHE HE1 H 1 7.220 0.020 . 3 . . . . 556 PHE HE1 . 16005 1 397 . 1 1 34 34 PHE HZ H 1 7.250 0.020 . 1 . . . . 556 PHE HZ . 16005 1 398 . 1 1 34 34 PHE C C 13 172.381 0.300 . 1 . . . . 556 PHE C . 16005 1 399 . 1 1 34 34 PHE CA C 13 59.548 0.300 . 1 . . . . 556 PHE CA . 16005 1 400 . 1 1 34 34 PHE CB C 13 37.380 0.300 . 1 . . . . 556 PHE CB . 16005 1 401 . 1 1 34 34 PHE CD1 C 13 129.800 0.300 . 3 . . . . 556 PHE CD1 . 16005 1 402 . 1 1 34 34 PHE CE1 C 13 129.200 0.300 . 3 . . . . 556 PHE CE1 . 16005 1 403 . 1 1 34 34 PHE CZ C 13 127.750 0.300 . 1 . . . . 556 PHE CZ . 16005 1 404 . 1 1 34 34 PHE N N 15 121.172 0.300 . 1 . . . . 556 PHE N . 16005 1 405 . 1 1 35 35 PHE H H 1 8.258 0.020 . 1 . . . . 557 PHE H . 16005 1 406 . 1 1 35 35 PHE HA H 1 4.152 0.020 . 1 . . . . 557 PHE HA . 16005 1 407 . 1 1 35 35 PHE HB2 H 1 3.191 0.020 . 2 . . . . 557 PHE HB2 . 16005 1 408 . 1 1 35 35 PHE HB3 H 1 3.369 0.020 . 2 . . . . 557 PHE HB3 . 16005 1 409 . 1 1 35 35 PHE HD1 H 1 7.370 0.020 . 3 . . . . 557 PHE HD1 . 16005 1 410 . 1 1 35 35 PHE HE1 H 1 7.260 0.020 . 3 . . . . 557 PHE HE1 . 16005 1 411 . 1 1 35 35 PHE HZ H 1 7.330 0.020 . 1 . . . . 557 PHE HZ . 16005 1 412 . 1 1 35 35 PHE C C 13 172.999 0.300 . 1 . . . . 557 PHE C . 16005 1 413 . 1 1 35 35 PHE CA C 13 59.665 0.300 . 1 . . . . 557 PHE CA . 16005 1 414 . 1 1 35 35 PHE CB C 13 37.503 0.300 . 1 . . . . 557 PHE CB . 16005 1 415 . 1 1 35 35 PHE CD1 C 13 129.200 0.300 . 3 . . . . 557 PHE CD1 . 16005 1 416 . 1 1 35 35 PHE CE1 C 13 129.300 0.300 . 3 . . . . 557 PHE CE1 . 16005 1 417 . 1 1 35 35 PHE CZ C 13 127.700 0.300 . 1 . . . . 557 PHE CZ . 16005 1 418 . 1 1 35 35 PHE N N 15 118.085 0.300 . 1 . . . . 557 PHE N . 16005 1 419 . 1 1 36 36 ILE H H 1 8.401 0.020 . 1 . . . . 558 ILE H . 16005 1 420 . 1 1 36 36 ILE HA H 1 3.740 0.020 . 1 . . . . 558 ILE HA . 16005 1 421 . 1 1 36 36 ILE HB H 1 2.003 0.020 . 1 . . . . 558 ILE HB . 16005 1 422 . 1 1 36 36 ILE HD11 H 1 0.858 0.020 . 1 . . . . 558 ILE HD1 . 16005 1 423 . 1 1 36 36 ILE HD12 H 1 0.858 0.020 . 1 . . . . 558 ILE HD1 . 16005 1 424 . 1 1 36 36 ILE HD13 H 1 0.858 0.020 . 1 . . . . 558 ILE HD1 . 16005 1 425 . 1 1 36 36 ILE HG12 H 1 1.786 0.020 . 1 . . . . 558 ILE HG12 . 16005 1 426 . 1 1 36 36 ILE HG13 H 1 1.309 0.020 . 1 . . . . 558 ILE HG13 . 16005 1 427 . 1 1 36 36 ILE HG21 H 1 0.886 0.020 . 1 . . . . 558 ILE HG2 . 16005 1 428 . 1 1 36 36 ILE HG22 H 1 0.886 0.020 . 1 . . . . 558 ILE HG2 . 16005 1 429 . 1 1 36 36 ILE HG23 H 1 0.886 0.020 . 1 . . . . 558 ILE HG2 . 16005 1 430 . 1 1 36 36 ILE C C 13 172.680 0.300 . 1 . . . . 558 ILE C . 16005 1 431 . 1 1 36 36 ILE CA C 13 62.318 0.300 . 1 . . . . 558 ILE CA . 16005 1 432 . 1 1 36 36 ILE CB C 13 35.864 0.300 . 1 . . . . 558 ILE CB . 16005 1 433 . 1 1 36 36 ILE CD1 C 13 11.599 0.300 . 1 . . . . 558 ILE CD1 . 16005 1 434 . 1 1 36 36 ILE CG1 C 13 26.504 0.300 . 1 . . . . 558 ILE CG1 . 16005 1 435 . 1 1 36 36 ILE CG2 C 13 15.471 0.300 . 1 . . . . 558 ILE CG2 . 16005 1 436 . 1 1 36 36 ILE N N 15 117.507 0.300 . 1 . . . . 558 ILE N . 16005 1 437 . 1 1 37 37 HIS H H 1 8.089 0.020 . 1 . . . . 559 HIS H . 16005 1 438 . 1 1 37 37 HIS HA H 1 4.443 0.020 . 1 . . . . 559 HIS HA . 16005 1 439 . 1 1 37 37 HIS HB2 H 1 3.358 0.020 . 1 . . . . 559 HIS HB2 . 16005 1 440 . 1 1 37 37 HIS HB3 H 1 3.197 0.020 . 1 . . . . 559 HIS HB3 . 16005 1 441 . 1 1 37 37 HIS HD2 H 1 7.203 0.020 . 1 . . . . 559 HIS HD2 . 16005 1 442 . 1 1 37 37 HIS HE1 H 1 8.497 0.020 . 1 . . . . 559 HIS HE1 . 16005 1 443 . 1 1 37 37 HIS C C 13 170.793 0.300 . 1 . . . . 559 HIS C . 16005 1 444 . 1 1 37 37 HIS CA C 13 55.735 0.300 . 1 . . . . 559 HIS CA . 16005 1 445 . 1 1 37 37 HIS CB C 13 26.837 0.300 . 1 . . . . 559 HIS CB . 16005 1 446 . 1 1 37 37 HIS CD2 C 13 118.204 0.300 . 1 . . . . 559 HIS CD2 . 16005 1 447 . 1 1 37 37 HIS CE1 C 13 134.920 0.300 . 1 . . . . 559 HIS CE1 . 16005 1 448 . 1 1 37 37 HIS N N 15 118.124 0.300 . 1 . . . . 559 HIS N . 16005 1 449 . 1 1 38 38 ARG H H 1 7.718 0.020 . 1 . . . . 560 ARG H . 16005 1 450 . 1 1 38 38 ARG HA H 1 4.063 0.020 . 1 . . . . 560 ARG HA . 16005 1 451 . 1 1 38 38 ARG HB2 H 1 1.631 0.020 . 2 . . . . 560 ARG HB2 . 16005 1 452 . 1 1 38 38 ARG HB3 H 1 1.725 0.020 . 2 . . . . 560 ARG HB3 . 16005 1 453 . 1 1 38 38 ARG HD2 H 1 2.968 0.020 . 2 . . . . 560 ARG HD2 . 16005 1 454 . 1 1 38 38 ARG HD3 H 1 2.968 0.020 . 2 . . . . 560 ARG HD3 . 16005 1 455 . 1 1 38 38 ARG HG2 H 1 1.457 0.020 . 2 . . . . 560 ARG HG2 . 16005 1 456 . 1 1 38 38 ARG HG3 H 1 1.457 0.020 . 2 . . . . 560 ARG HG3 . 16005 1 457 . 1 1 38 38 ARG C C 13 171.632 0.300 . 1 . . . . 560 ARG C . 16005 1 458 . 1 1 38 38 ARG CA C 13 54.559 0.300 . 1 . . . . 560 ARG CA . 16005 1 459 . 1 1 38 38 ARG CB C 13 28.218 0.300 . 1 . . . . 560 ARG CB . 16005 1 460 . 1 1 38 38 ARG CD C 13 41.074 0.300 . 1 . . . . 560 ARG CD . 16005 1 461 . 1 1 38 38 ARG CG C 13 24.937 0.300 . 1 . . . . 560 ARG CG . 16005 1 462 . 1 1 38 38 ARG N N 15 118.399 0.300 . 1 . . . . 560 ARG N . 16005 1 463 . 1 1 39 39 ARG H H 1 7.760 0.020 . 1 . . . . 561 ARG H . 16005 1 464 . 1 1 39 39 ARG HA H 1 4.203 0.020 . 1 . . . . 561 ARG HA . 16005 1 465 . 1 1 39 39 ARG HB2 H 1 1.777 0.020 . 2 . . . . 561 ARG HB2 . 16005 1 466 . 1 1 39 39 ARG HD2 H 1 3.056 0.020 . 2 . . . . 561 ARG HD2 . 16005 1 467 . 1 1 39 39 ARG HD3 H 1 3.056 0.020 . 2 . . . . 561 ARG HD3 . 16005 1 468 . 1 1 39 39 ARG HG2 H 1 1.555 0.020 . 2 . . . . 561 ARG HG2 . 16005 1 469 . 1 1 39 39 ARG HG3 H 1 1.555 0.020 . 2 . . . . 561 ARG HG3 . 16005 1 470 . 1 1 39 39 ARG C C 13 171.382 0.300 . 1 . . . . 561 ARG C . 16005 1 471 . 1 1 39 39 ARG CA C 13 54.143 0.300 . 1 . . . . 561 ARG CA . 16005 1 472 . 1 1 39 39 ARG CB C 13 28.443 0.300 . 1 . . . . 561 ARG CB . 16005 1 473 . 1 1 39 39 ARG CD C 13 41.177 0.300 . 1 . . . . 561 ARG CD . 16005 1 474 . 1 1 39 39 ARG CG C 13 24.989 0.300 . 1 . . . . 561 ARG CG . 16005 1 475 . 1 1 39 39 ARG N N 15 120.062 0.300 . 1 . . . . 561 ARG N . 16005 1 476 . 1 1 40 40 ARG H H 1 7.996 0.020 . 1 . . . . 562 ARG H . 16005 1 477 . 1 1 40 40 ARG HA H 1 4.293 0.020 . 1 . . . . 562 ARG HA . 16005 1 478 . 1 1 40 40 ARG HB2 H 1 1.871 0.020 . 2 . . . . 562 ARG HB2 . 16005 1 479 . 1 1 40 40 ARG HB3 H 1 1.742 0.020 . 2 . . . . 562 ARG HB3 . 16005 1 480 . 1 1 40 40 ARG HD2 H 1 3.162 0.020 . 2 . . . . 562 ARG HD2 . 16005 1 481 . 1 1 40 40 ARG HD3 H 1 3.162 0.020 . 2 . . . . 562 ARG HD3 . 16005 1 482 . 1 1 40 40 ARG HG2 H 1 1.653 0.020 . 2 . . . . 562 ARG HG2 . 16005 1 483 . 1 1 40 40 ARG HG3 H 1 1.653 0.020 . 2 . . . . 562 ARG HG3 . 16005 1 484 . 1 1 40 40 ARG C C 13 170.444 0.300 . 1 . . . . 562 ARG C . 16005 1 485 . 1 1 40 40 ARG CA C 13 54.143 0.300 . 1 . . . . 562 ARG CA . 16005 1 486 . 1 1 40 40 ARG CB C 13 28.618 0.300 . 1 . . . . 562 ARG CB . 16005 1 487 . 1 1 40 40 ARG CD C 13 41.303 0.300 . 1 . . . . 562 ARG CD . 16005 1 488 . 1 1 40 40 ARG CG C 13 25.031 0.300 . 1 . . . . 562 ARG CG . 16005 1 489 . 1 1 40 40 ARG N N 15 122.014 0.300 . 1 . . . . 562 ARG N . 16005 1 490 . 1 1 41 41 LYS H H 1 7.795 0.020 . 1 . . . . 563 LYS H . 16005 1 491 . 1 1 41 41 LYS HA H 1 4.060 0.020 . 1 . . . . 563 LYS HA . 16005 1 492 . 1 1 41 41 LYS HB2 H 1 1.649 0.020 . 2 . . . . 563 LYS HB2 . 16005 1 493 . 1 1 41 41 LYS HB3 H 1 1.649 0.020 . 2 . . . . 563 LYS HB3 . 16005 1 494 . 1 1 41 41 LYS HD2 H 1 1.688 0.020 . 2 . . . . 563 LYS HD2 . 16005 1 495 . 1 1 41 41 LYS HD3 H 1 1.688 0.020 . 2 . . . . 563 LYS HD3 . 16005 1 496 . 1 1 41 41 LYS HE2 H 1 2.973 0.020 . 2 . . . . 563 LYS HE2 . 16005 1 497 . 1 1 41 41 LYS HE3 H 1 2.973 0.020 . 2 . . . . 563 LYS HE3 . 16005 1 498 . 1 1 41 41 LYS HG2 H 1 1.366 0.020 . 2 . . . . 563 LYS HG2 . 16005 1 499 . 1 1 41 41 LYS HG3 H 1 1.366 0.020 . 2 . . . . 563 LYS HG3 . 16005 1 500 . 1 1 41 41 LYS CA C 13 55.623 0.300 . 1 . . . . 563 LYS CA . 16005 1 501 . 1 1 41 41 LYS CB C 13 27.066 0.300 . 1 . . . . 563 LYS CB . 16005 1 502 . 1 1 41 41 LYS CD C 13 31.608 0.300 . 1 . . . . 563 LYS CD . 16005 1 503 . 1 1 41 41 LYS CE C 13 39.954 0.300 . 1 . . . . 563 LYS CE . 16005 1 504 . 1 1 41 41 LYS CG C 13 22.666 0.300 . 1 . . . . 563 LYS CG . 16005 1 505 . 1 1 41 41 LYS N N 15 127.356 0.300 . 1 . . . . 563 LYS N . 16005 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 13 16005 1 1 14 16005 1 2 17 16005 1 2 18 16005 1 stop_ save_