data_15268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15268 _Entry.Title ; Structure and Dynamics of Human Apolipoprotein C-III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-28 _Entry.Accession_date 2007-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _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 Chinthaka Gangabadage . S. . 15268 2 Janusz Zdunek . . . 15268 3 Marco Tessari . . . 15268 4 Solveig Nilsson . . . 15268 5 Gunilla Olivecrona . . . 15268 6 Sybren Wijmenga . S. . 15268 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'G.Olivecrona group; Umea University' . 15268 1 . 'S.Wijmenga group; Radboud University of Nijmegen' . 15268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 15268 '15N chemical shifts' 76 15268 '1H chemical shifts' 152 15268 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 2 . . 2008-07-02 2007-05-28 update BMRB 'complete entry citation' 15268 1 . . 2008-06-12 2007-05-28 original author 'original release' 15268 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JQ3 'BMRB Entry Tracking System' 15268 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18408013 _Citation.Full_citation . _Citation.Title 'Structure and Dynamics of Human Apolipoprotein CIII' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 25 _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 17416 _Citation.Page_last 17427 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chinthaka Gangabadage . S. . 15268 1 2 Janusz Zdunek . . . 15268 1 3 Marco Tessari . . . 15268 1 4 Solveig Nilsson . . . 15268 1 5 Gunilla Olivecrona . . . 15268 1 6 Sybren Wijmenga . S. . 15268 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ApoCIII 15268 1 apolipoprotein 15268 1 dynamics 15268 1 NMR 15268 1 receptor 15268 1 structure 15268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15268 _Assembly.ID 1 _Assembly.Name ApoCIII _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ApoCIII 1 $Apolipoprotein_CIII A . yes native no no . . . 15268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Apolipoprotein_CIII _Entity.Sf_category entity _Entity.Sf_framecode Apolipoprotein_CIII _Entity.Entry_ID 15268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Apolipoprotein_CIII _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEAEDASLLSFMQGYMKHAT KTAKDALSSVQESQVAQQAR GWVTDGFSSLKDYWSTVKDK FSEFWDLDPEVRPTSAVAA ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8775.728 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JQ3 . "Structure And Dynamics Of Human Apolipoprotein C-Iii" . . . . . 100.00 79 100.00 100.00 2.06e-48 . . . . 15268 1 2 no EMBL CAA25233 . "apoCIII protein [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 3 no EMBL CAA25644 . "pre-apolipoprotein CIII [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 4 no EMBL CAA25648 . "apo CIII [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 5 no EMBL CAA26895 . "apolipoprotein [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 6 no GB AAA51760 . "apolipoprotein C-III precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 7 no GB AAA51761 . "apolipoprotein C-III precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 8 no GB AAB59372 . "apolipoprotein C-III [Homo sapiens]" . . . . . 100.00 99 98.73 98.73 6.17e-48 . . . . 15268 1 9 no GB AAB59515 . "preapolipoprotein C-III [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 10 no GB AAH27977 . "Apolipoprotein C-III [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 11 no PRF 1204193A . "lipoprotein CIII" . . . . . 100.00 79 100.00 100.00 2.06e-48 . . . . 15268 1 12 no REF NP_000031 . "apolipoprotein C-III precursor [Homo sapiens]" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 13 no REF XP_004052228 . "PREDICTED: apolipoprotein C-III isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 99 97.47 97.47 6.75e-47 . . . . 15268 1 14 no REF XP_004052229 . "PREDICTED: apolipoprotein C-III isoform 2 [Gorilla gorilla gorilla]" . . . . . 100.00 117 97.47 97.47 1.68e-46 . . . . 15268 1 15 no SP P02656 . "RecName: Full=Apolipoprotein C-III; Short=Apo-CIII; Short=ApoC-III; AltName: Full=Apolipoprotein C3; Flags: Precursor" . . . . . 100.00 99 100.00 100.00 1.09e-48 . . . . 15268 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'inhibits lipoproteinlipase (LPL) and LDL receptor binding of lipoproteins' 15268 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 . SER . 15268 1 2 . GLU . 15268 1 3 . ALA . 15268 1 4 . GLU . 15268 1 5 . ASP . 15268 1 6 . ALA . 15268 1 7 . SER . 15268 1 8 . LEU . 15268 1 9 . LEU . 15268 1 10 . SER . 15268 1 11 . PHE . 15268 1 12 . MET . 15268 1 13 . GLN . 15268 1 14 . GLY . 15268 1 15 . TYR . 15268 1 16 . MET . 15268 1 17 . LYS . 15268 1 18 . HIS . 15268 1 19 . ALA . 15268 1 20 . THR . 15268 1 21 . LYS . 15268 1 22 . THR . 15268 1 23 . ALA . 15268 1 24 . LYS . 15268 1 25 . ASP . 15268 1 26 . ALA . 15268 1 27 . LEU . 15268 1 28 . SER . 15268 1 29 . SER . 15268 1 30 . VAL . 15268 1 31 . GLN . 15268 1 32 . GLU . 15268 1 33 . SER . 15268 1 34 . GLN . 15268 1 35 . VAL . 15268 1 36 . ALA . 15268 1 37 . GLN . 15268 1 38 . GLN . 15268 1 39 . ALA . 15268 1 40 . ARG . 15268 1 41 . GLY . 15268 1 42 . TRP . 15268 1 43 . VAL . 15268 1 44 . THR . 15268 1 45 . ASP . 15268 1 46 . GLY . 15268 1 47 . PHE . 15268 1 48 . SER . 15268 1 49 . SER . 15268 1 50 . LEU . 15268 1 51 . LYS . 15268 1 52 . ASP . 15268 1 53 . TYR . 15268 1 54 . TRP . 15268 1 55 . SER . 15268 1 56 . THR . 15268 1 57 . VAL . 15268 1 58 . LYS . 15268 1 59 . ASP . 15268 1 60 . LYS . 15268 1 61 . PHE . 15268 1 62 . SER . 15268 1 63 . GLU . 15268 1 64 . PHE . 15268 1 65 . TRP . 15268 1 66 . ASP . 15268 1 67 . LEU . 15268 1 68 . ASP . 15268 1 69 . PRO . 15268 1 70 . GLU . 15268 1 71 . VAL . 15268 1 72 . ARG . 15268 1 73 . PRO . 15268 1 74 . THR . 15268 1 75 . SER . 15268 1 76 . ALA . 15268 1 77 . VAL . 15268 1 78 . ALA . 15268 1 79 . ALA . 15268 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 . SER 1 1 15268 1 . GLU 2 2 15268 1 . ALA 3 3 15268 1 . GLU 4 4 15268 1 . ASP 5 5 15268 1 . ALA 6 6 15268 1 . SER 7 7 15268 1 . LEU 8 8 15268 1 . LEU 9 9 15268 1 . SER 10 10 15268 1 . PHE 11 11 15268 1 . MET 12 12 15268 1 . GLN 13 13 15268 1 . GLY 14 14 15268 1 . TYR 15 15 15268 1 . MET 16 16 15268 1 . LYS 17 17 15268 1 . HIS 18 18 15268 1 . ALA 19 19 15268 1 . THR 20 20 15268 1 . LYS 21 21 15268 1 . THR 22 22 15268 1 . ALA 23 23 15268 1 . LYS 24 24 15268 1 . ASP 25 25 15268 1 . ALA 26 26 15268 1 . LEU 27 27 15268 1 . SER 28 28 15268 1 . SER 29 29 15268 1 . VAL 30 30 15268 1 . GLN 31 31 15268 1 . GLU 32 32 15268 1 . SER 33 33 15268 1 . GLN 34 34 15268 1 . VAL 35 35 15268 1 . ALA 36 36 15268 1 . GLN 37 37 15268 1 . GLN 38 38 15268 1 . ALA 39 39 15268 1 . ARG 40 40 15268 1 . GLY 41 41 15268 1 . TRP 42 42 15268 1 . VAL 43 43 15268 1 . THR 44 44 15268 1 . ASP 45 45 15268 1 . GLY 46 46 15268 1 . PHE 47 47 15268 1 . SER 48 48 15268 1 . SER 49 49 15268 1 . LEU 50 50 15268 1 . LYS 51 51 15268 1 . ASP 52 52 15268 1 . TYR 53 53 15268 1 . TRP 54 54 15268 1 . SER 55 55 15268 1 . THR 56 56 15268 1 . VAL 57 57 15268 1 . LYS 58 58 15268 1 . ASP 59 59 15268 1 . LYS 60 60 15268 1 . PHE 61 61 15268 1 . SER 62 62 15268 1 . GLU 63 63 15268 1 . PHE 64 64 15268 1 . TRP 65 65 15268 1 . ASP 66 66 15268 1 . LEU 67 67 15268 1 . ASP 68 68 15268 1 . PRO 69 69 15268 1 . GLU 70 70 15268 1 . VAL 71 71 15268 1 . ARG 72 72 15268 1 . PRO 73 73 15268 1 . THR 74 74 15268 1 . SER 75 75 15268 1 . ALA 76 76 15268 1 . VAL 77 77 15268 1 . ALA 78 78 15268 1 . ALA 79 79 15268 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 15268 _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 $Apolipoprotein_CIII . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15268 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 15268 _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 $Apolipoprotein_CIII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET23b . . . . . . 15268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15268 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details SDS-micelle _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Apolipoprotein CIII' '[U-13C; U-15N]' . . 1 $Apolipoprotein_CIII . . 0.5 . . mM . . . . 15268 1 2 SDS_d25 [U-2H] . . . . . . 180 . . mM . . . . 15268 1 3 'Sodium acetate buffer' . . . . . . . 10 . . mM . . . . 15268 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15268 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'SDS-micelle "in 4 % stretched polyacrylamide gel 37.5:1 w/w acrlamide:bisacrylamide"' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Apolipoprotein CIII' '[U-13C; U-15N]' . . 1 $Apolipoprotein_CIII . . 0.5 . . mM . . . . 15268 2 2 SDS_d25 [U-2H] . . . . . . 180 . . mM . . . . 15268 2 3 'Sodium acetate buffer' . . . . . . . 50 . . mM . . . . 15268 2 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 15268 _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' 0.3 . M 15268 1 pH 5.0 . pH 15268 1 pressure 1 . atm 15268 1 temperature 315.7 . K 15268 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15268 _Sample_condition_list.ID 2 _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' 0.3 . M 15268 2 pH 5.0 . pH 15268 2 pressure 1 . atm 15268 2 temperature 315.7 . K 15268 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15268 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'NMR spectra processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15268 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15268 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15268 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15268 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15268 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details 'Derivation of torsion angles via CA,CB chemical shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15268 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'backbone torsion angles from chemical shifts' 15268 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15268 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15268 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Restr. MD caclulations' 15268 4 stop_ save_ save_Monte_Carlo_script _Software.Sf_category software _Software.Sf_framecode Monte_Carlo_script _Software.Entry_ID 15268 _Software.ID 5 _Software.Name Monte_Carlo_script _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'S.Wijmenga (unpublished)' . . 15268 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Monte Carlo simulation to fit helical structures to experimental RDCs using dipolar waves formulation of RDCs' 15268 5 stop_ save_ save_Protein_Constructor _Software.Sf_category software _Software.Sf_framecode Protein_Constructor _Software.Entry_ID 15268 _Software.ID 6 _Software.Name 'Protein Constructor' _Software.Version . _Software.Details 'currently under development' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'under development)' . . 15268 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Caclulations of hydropobic moment directions' 15268 6 'Inverse kinematic for junction of helices, RDC simulation' 15268 6 'Program for positioning helices on the micelle' 15268 6 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 15268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with triple resonance (1H/13C/15N) with XYZ gradient capabilities' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15268 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with triple resonance (1H/13C/15N) with XYZ gradient capabilities' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15268 _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 Varian INOVA . 600 'Equipped with triple resonance (1H/13C/15N) with XYZ gradient capabilities' . . 15268 1 2 spectrometer_2 Varian INOVA . 800 'Equipped with triple resonance (1H/13C/15N) with XYZ gradient capabilities' . . 15268 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 15268 _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 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 3 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 4 HNHA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 5 '15N NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 6 '15N HSQC NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 7 '[15N,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 8 'IPAP [15N,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 9 'IPAP [15N,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 10 '15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 11 '15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 12 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 13 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 1 14 '15N T1rho' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15268 1 15 '15N T1rho' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15268 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 15268 _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 . . . . . . . . . 15268 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15268 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15268 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 15268 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CBCA(CO)NH . . . 15268 1 2 HNCACB . . . 15268 1 3 HNCO . . . 15268 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 SER CA C 13 57.541 0.30 . 1 . . . . 1 SER CA . 15268 1 2 . 1 1 1 1 SER CB C 13 63.320 0.30 . 1 . . . . 1 SER CB . 15268 1 3 . 1 1 2 2 GLU H H 1 8.776 0.02 . 1 . . . . 2 GLU HN . 15268 1 4 . 1 1 2 2 GLU HA H 1 4.415 0.02 . 1 . . . . 2 GLU HA . 15268 1 5 . 1 1 2 2 GLU C C 13 171.203 0.30 . 1 . . . . 2 GLU C . 15268 1 6 . 1 1 2 2 GLU CA C 13 56.971 0.30 . 1 . . . . 2 GLU CA . 15268 1 7 . 1 1 2 2 GLU CB C 13 29.269 0.30 . 1 . . . . 2 GLU CB . 15268 1 8 . 1 1 2 2 GLU N N 15 121.323 0.40 . 1 . . . . 2 GLU N . 15268 1 9 . 1 1 3 3 ALA H H 1 8.283 0.02 . 1 . . . . 3 ALA HN . 15268 1 10 . 1 1 3 3 ALA HA H 1 4.317 0.02 . 1 . . . . 3 ALA HA . 15268 1 11 . 1 1 3 3 ALA C C 13 176.007 0.30 . 1 . . . . 3 ALA C . 15268 1 12 . 1 1 3 3 ALA CA C 13 53.244 0.30 . 1 . . . . 3 ALA CA . 15268 1 13 . 1 1 3 3 ALA CB C 13 19.153 0.30 . 1 . . . . 3 ALA CB . 15268 1 14 . 1 1 3 3 ALA N N 15 123.378 0.40 . 1 . . . . 3 ALA N . 15268 1 15 . 1 1 4 4 GLU H H 1 8.109 0.02 . 1 . . . . 4 GLU HN . 15268 1 16 . 1 1 4 4 GLU HA H 1 4.366 0.02 . 1 . . . . 4 GLU HA . 15268 1 17 . 1 1 4 4 GLU C C 13 177.975 0.30 . 1 . . . . 4 GLU C . 15268 1 18 . 1 1 4 4 GLU CA C 13 56.850 0.30 . 1 . . . . 4 GLU CA . 15268 1 19 . 1 1 4 4 GLU CB C 13 29.078 0.30 . 1 . . . . 4 GLU CB . 15268 1 20 . 1 1 4 4 GLU N N 15 118.121 0.40 . 1 . . . . 4 GLU N . 15268 1 21 . 1 1 5 5 ASP H H 1 8.201 0.02 . 1 . . . . 5 ASP HN . 15268 1 22 . 1 1 5 5 ASP HA H 1 4.659 0.02 . 1 . . . . 5 ASP HA . 15268 1 23 . 1 1 5 5 ASP C C 13 176.393 0.30 . 1 . . . . 5 ASP C . 15268 1 24 . 1 1 5 5 ASP CA C 13 54.166 0.30 . 1 . . . . 5 ASP CA . 15268 1 25 . 1 1 5 5 ASP CB C 13 39.422 0.30 . 1 . . . . 5 ASP CB . 15268 1 26 . 1 1 5 5 ASP N N 15 119.089 0.40 . 1 . . . . 5 ASP N . 15268 1 27 . 1 1 6 6 ALA H H 1 8.045 0.02 . 1 . . . . 6 ALA HN . 15268 1 28 . 1 1 6 6 ALA HA H 1 4.376 0.02 . 1 . . . . 6 ALA HA . 15268 1 29 . 1 1 6 6 ALA C C 13 175.403 0.30 . 1 . . . . 6 ALA C . 15268 1 30 . 1 1 6 6 ALA CA C 13 53.166 0.30 . 1 . . . . 6 ALA CA . 15268 1 31 . 1 1 6 6 ALA CB C 13 19.232 0.30 . 1 . . . . 6 ALA CB . 15268 1 32 . 1 1 6 6 ALA N N 15 123.242 0.40 . 1 . . . . 6 ALA N . 15268 1 33 . 1 1 7 7 SER H H 1 8.168 0.02 . 1 . . . . 7 SER HN . 15268 1 34 . 1 1 7 7 SER HA H 1 4.543 0.02 . 1 . . . . 7 SER HA . 15268 1 35 . 1 1 7 7 SER C C 13 177.957 0.30 . 1 . . . . 7 SER C . 15268 1 36 . 1 1 7 7 SER CA C 13 59.090 0.30 . 1 . . . . 7 SER CA . 15268 1 37 . 1 1 7 7 SER CB C 13 64.084 0.30 . 1 . . . . 7 SER CB . 15268 1 38 . 1 1 7 7 SER N N 15 115.046 0.40 . 1 . . . . 7 SER N . 15268 1 39 . 1 1 8 8 LEU H H 1 8.410 0.02 . 1 . . . . 8 LEU HN . 15268 1 40 . 1 1 8 8 LEU HA H 1 4.297 0.02 . 1 . . . . 8 LEU HA . 15268 1 41 . 1 1 8 8 LEU C C 13 175.818 0.30 . 1 . . . . 8 LEU C . 15268 1 42 . 1 1 8 8 LEU CA C 13 58.225 0.30 . 1 . . . . 8 LEU CA . 15268 1 43 . 1 1 8 8 LEU CB C 13 42.057 0.30 . 1 . . . . 8 LEU CB . 15268 1 44 . 1 1 8 8 LEU N N 15 124.101 0.40 . 1 . . . . 8 LEU N . 15268 1 45 . 1 1 9 9 LEU H H 1 8.007 0.02 . 1 . . . . 9 LEU HN . 15268 1 46 . 1 1 9 9 LEU HA H 1 4.245 0.02 . 1 . . . . 9 LEU HA . 15268 1 47 . 1 1 9 9 LEU C C 13 178.573 0.30 . 1 . . . . 9 LEU C . 15268 1 48 . 1 1 9 9 LEU CA C 13 57.976 0.30 . 1 . . . . 9 LEU CA . 15268 1 49 . 1 1 9 9 LEU CB C 13 41.475 0.30 . 1 . . . . 9 LEU CB . 15268 1 50 . 1 1 9 9 LEU N N 15 117.546 0.40 . 1 . . . . 9 LEU N . 15268 1 51 . 1 1 10 10 SER H H 1 7.979 0.02 . 1 . . . . 10 SER HN . 15268 1 52 . 1 1 10 10 SER HA H 1 4.320 0.02 . 1 . . . . 10 SER HA . 15268 1 53 . 1 1 10 10 SER C C 13 178.812 0.30 . 1 . . . . 10 SER C . 15268 1 54 . 1 1 10 10 SER CA C 13 61.538 0.30 . 1 . . . . 10 SER CA . 15268 1 55 . 1 1 10 10 SER CB C 13 62.776 0.30 . 1 . . . . 10 SER CB . 15268 1 56 . 1 1 10 10 SER N N 15 114.105 0.40 . 1 . . . . 10 SER N . 15268 1 57 . 1 1 11 11 PHE H H 1 8.046 0.30 . 1 . . . . 11 PHE HN . 15268 1 58 . 1 1 11 11 PHE HA H 1 4.439 0.02 . 1 . . . . 11 PHE HA . 15268 1 59 . 1 1 11 11 PHE C C 13 177.370 0.30 . 1 . . . . 11 PHE C . 15268 1 60 . 1 1 11 11 PHE CA C 13 60.823 0.30 . 1 . . . . 11 PHE CA . 15268 1 61 . 1 1 11 11 PHE CB C 13 39.190 0.30 . 1 . . . . 11 PHE CB . 15268 1 62 . 1 1 11 11 PHE N N 15 122.342 0.40 . 1 . . . . 11 PHE N . 15268 1 63 . 1 1 12 12 MET H H 1 8.260 0.02 . 1 . . . . 12 MET HN . 15268 1 64 . 1 1 12 12 MET HA H 1 4.303 0.02 . 1 . . . . 12 MET HA . 15268 1 65 . 1 1 12 12 MET C C 13 177.760 0.30 . 1 . . . . 12 MET C . 15268 1 66 . 1 1 12 12 MET CA C 13 58.034 0.30 . 1 . . . . 12 MET CA . 15268 1 67 . 1 1 12 12 MET CB C 13 32.703 0.30 . 1 . . . . 12 MET CB . 15268 1 68 . 1 1 12 12 MET N N 15 118.124 0.40 . 1 . . . . 12 MET N . 15268 1 69 . 1 1 13 13 GLN H H 1 8.371 0.02 . 1 . . . . 13 GLN HN . 15268 1 70 . 1 1 13 13 GLN HA H 1 4.082 0.02 . 1 . . . . 13 GLN HA . 15268 1 71 . 1 1 13 13 GLN C C 13 177.866 0.30 . 1 . . . . 13 GLN C . 15268 1 72 . 1 1 13 13 GLN CA C 13 59.149 0.30 . 1 . . . . 13 GLN CA . 15268 1 73 . 1 1 13 13 GLN CB C 13 28.792 0.30 . 1 . . . . 13 GLN CB . 15268 1 74 . 1 1 13 13 GLN N N 15 118.154 0.40 . 1 . . . . 13 GLN N . 15268 1 75 . 1 1 14 14 GLY H H 1 8.029 0.02 . 1 . . . . 14 GLY HN . 15268 1 76 . 1 1 14 14 GLY HA2 H 1 3.916 0.02 . 1 . . . . 14 GLY HA2 . 15268 1 77 . 1 1 14 14 GLY C C 13 178.079 0.30 . 1 . . . . 14 GLY C . 15268 1 78 . 1 1 14 14 GLY CA C 13 46.795 0.30 . 1 . . . . 14 GLY CA . 15268 1 79 . 1 1 14 14 GLY N N 15 106.304 0.40 . 1 . . . . 14 GLY N . 15268 1 80 . 1 1 15 15 TYR H H 1 7.950 0.02 . 1 . . . . 15 TYR HN . 15268 1 81 . 1 1 15 15 TYR HA H 1 4.307 0.02 . 1 . . . . 15 TYR HA . 15268 1 82 . 1 1 15 15 TYR C C 13 175.811 0.30 . 1 . . . . 15 TYR C . 15268 1 83 . 1 1 15 15 TYR CA C 13 61.112 0.30 . 1 . . . . 15 TYR CA . 15268 1 84 . 1 1 15 15 TYR CB C 13 39.251 0.30 . 1 . . . . 15 TYR CB . 15268 1 85 . 1 1 15 15 TYR N N 15 121.528 0.40 . 1 . . . . 15 TYR N . 15268 1 86 . 1 1 16 16 MET H H 1 8.199 0.02 . 1 . . . . 16 MET HN . 15268 1 87 . 1 1 16 16 MET HA H 1 4.307 0.02 . 1 . . . . 16 MET HA . 15268 1 88 . 1 1 16 16 MET C C 13 177.685 0.30 . 1 . . . . 16 MET C . 15268 1 89 . 1 1 16 16 MET CA C 13 57.476 0.30 . 1 . . . . 16 MET CA . 15268 1 90 . 1 1 16 16 MET CB C 13 32.342 0.30 . 1 . . . . 16 MET CB . 15268 1 91 . 1 1 16 16 MET N N 15 117.173 0.40 . 1 . . . . 16 MET N . 15268 1 92 . 1 1 17 17 LYS H H 1 7.924 0.02 . 1 . . . . 17 LYS HN . 15268 1 93 . 1 1 17 17 LYS HA H 1 4.190 0.02 . 1 . . . . 17 LYS HA . 15268 1 94 . 1 1 17 17 LYS C C 13 177.849 0.30 . 1 . . . . 17 LYS C . 15268 1 95 . 1 1 17 17 LYS CA C 13 58.393 0.30 . 1 . . . . 17 LYS CA . 15268 1 96 . 1 1 17 17 LYS CB C 13 32.311 0.30 . 1 . . . . 17 LYS CB . 15268 1 97 . 1 1 17 17 LYS N N 15 118.640 0.40 . 1 . . . . 17 LYS N . 15268 1 98 . 1 1 18 18 HIS H H 1 7.889 0.02 . 1 . . . . 18 HIS HN . 15268 1 99 . 1 1 18 18 HIS HA H 1 4.542 0.02 . 1 . . . . 18 HIS HA . 15268 1 100 . 1 1 18 18 HIS C C 13 177.796 0.30 . 1 . . . . 18 HIS C . 15268 1 101 . 1 1 18 18 HIS CA C 13 56.698 0.30 . 1 . . . . 18 HIS CA . 15268 1 102 . 1 1 18 18 HIS CB C 13 28.505 0.30 . 1 . . . . 18 HIS CB . 15268 1 103 . 1 1 18 18 HIS N N 15 116.031 0.40 . 1 . . . . 18 HIS N . 15268 1 104 . 1 1 19 19 ALA H H 1 8.144 0.02 . 1 . . . . 19 ALA HN . 15268 1 105 . 1 1 19 19 ALA HA H 1 4.282 0.02 . 1 . . . . 19 ALA HA . 15268 1 106 . 1 1 19 19 ALA C C 13 178.213 0.30 . 1 . . . . 19 ALA C . 15268 1 107 . 1 1 19 19 ALA CA C 13 54.166 0.30 . 1 . . . . 19 ALA CA . 15268 1 108 . 1 1 19 19 ALA CB C 13 19.133 0.30 . 1 . . . . 19 ALA CB . 15268 1 109 . 1 1 19 19 ALA N N 15 123.402 0.40 . 1 . . . . 19 ALA N . 15268 1 110 . 1 1 20 20 THR H H 1 8.186 0.02 . 1 . . . . 20 THR HN . 15268 1 111 . 1 1 20 20 THR HA H 1 4.128 0.02 . 1 . . . . 20 THR HA . 15268 1 112 . 1 1 20 20 THR C C 13 178.380 0.30 . 1 . . . . 20 THR C . 15268 1 113 . 1 1 20 20 THR CA C 13 64.460 0.30 . 1 . . . . 20 THR CA . 15268 1 114 . 1 1 20 20 THR CB C 13 69.213 0.30 . 1 . . . . 20 THR CB . 15268 1 115 . 1 1 20 20 THR N N 15 111.155 0.40 . 1 . . . . 20 THR N . 15268 1 116 . 1 1 21 21 LYS H H 1 7.715 0.02 . 1 . . . . 21 LYS HN . 15268 1 117 . 1 1 21 21 LYS HA H 1 4.349 0.02 . 1 . . . . 21 LYS HA . 15268 1 118 . 1 1 21 21 LYS C C 13 175.517 0.30 . 1 . . . . 21 LYS C . 15268 1 119 . 1 1 21 21 LYS CA C 13 58.000 0.30 . 1 . . . . 21 LYS CA . 15268 1 120 . 1 1 21 21 LYS CB C 13 32.848 0.30 . 1 . . . . 21 LYS CB . 15268 1 121 . 1 1 21 21 LYS N N 15 121.662 0.40 . 1 . . . . 21 LYS N . 15268 1 122 . 1 1 22 22 THR H H 1 8.000 0.30 . 1 . . . . 22 THR HN . 15268 1 123 . 1 1 22 22 THR HA H 1 4.297 0.30 . 1 . . . . 22 THR HA . 15268 1 124 . 1 1 22 22 THR C C 13 177.240 0.30 . 1 . . . . 22 THR C . 15268 1 125 . 1 1 22 22 THR CA C 13 64.040 0.30 . 1 . . . . 22 THR CA . 15268 1 126 . 1 1 22 22 THR CB C 13 69.733 0.30 . 1 . . . . 22 THR CB . 15268 1 127 . 1 1 22 22 THR N N 15 113.812 0.40 . 1 . . . . 22 THR N . 15268 1 128 . 1 1 23 23 ALA H H 1 8.412 0.02 . 1 . . . . 23 ALA HN . 15268 1 129 . 1 1 23 23 ALA HA H 1 4.122 0.02 . 1 . . . . 23 ALA HA . 15268 1 130 . 1 1 23 23 ALA C C 13 175.964 0.30 . 1 . . . . 23 ALA C . 15268 1 131 . 1 1 23 23 ALA CA C 13 55.316 0.30 . 1 . . . . 23 ALA CA . 15268 1 132 . 1 1 23 23 ALA CB C 13 18.618 0.30 . 1 . . . . 23 ALA CB . 15268 1 133 . 1 1 23 23 ALA N N 15 123.778 0.40 . 1 . . . . 23 ALA N . 15268 1 134 . 1 1 24 24 LYS H H 1 8.205 0.02 . 1 . . . . 24 LYS HN . 15268 1 135 . 1 1 24 24 LYS HA H 1 3.975 0.02 . 1 . . . . 24 LYS HA . 15268 1 136 . 1 1 24 24 LYS C C 13 178.579 0.30 . 1 . . . . 24 LYS C . 15268 1 137 . 1 1 24 24 LYS CA C 13 59.821 0.30 . 1 . . . . 24 LYS CA . 15268 1 138 . 1 1 24 24 LYS CB C 13 32.287 0.30 . 1 . . . . 24 LYS CB . 15268 1 139 . 1 1 24 24 LYS N N 15 116.572 0.40 . 1 . . . . 24 LYS N . 15268 1 140 . 1 1 25 25 ASP H H 1 8.162 0.02 . 1 . . . . 25 ASP HN . 15268 1 141 . 1 1 25 25 ASP HA H 1 4.633 0.02 . 1 . . . . 25 ASP HA . 15268 1 142 . 1 1 25 25 ASP C C 13 178.849 0.30 . 1 . . . . 25 ASP C . 15268 1 143 . 1 1 25 25 ASP CA C 13 56.667 0.30 . 1 . . . . 25 ASP CA . 15268 1 144 . 1 1 25 25 ASP CB C 13 39.431 0.30 . 1 . . . . 25 ASP CB . 15268 1 145 . 1 1 25 25 ASP N N 15 119.217 0.40 . 1 . . . . 25 ASP N . 15268 1 146 . 1 1 26 26 ALA H H 1 8.144 0.02 . 1 . . . . 26 ALA HN . 15268 1 147 . 1 1 26 26 ALA HA H 1 4.297 0.02 . 1 . . . . 26 ALA HA . 15268 1 148 . 1 1 26 26 ALA C C 13 175.378 0.30 . 1 . . . . 26 ALA C . 15268 1 149 . 1 1 26 26 ALA CA C 13 54.877 0.30 . 1 . . . . 26 ALA CA . 15268 1 150 . 1 1 26 26 ALA CB C 13 18.648 0.30 . 1 . . . . 26 ALA CB . 15268 1 151 . 1 1 26 26 ALA N N 15 123.402 0.40 . 1 . . . . 26 ALA N . 15268 1 152 . 1 1 27 27 LEU H H 1 8.203 0.02 . 1 . . . . 27 LEU HN . 15268 1 153 . 1 1 27 27 LEU HA H 1 4.149 0.02 . 1 . . . . 27 LEU HA . 15268 1 154 . 1 1 27 27 LEU C C 13 179.408 0.30 . 1 . . . . 27 LEU C . 15268 1 155 . 1 1 27 27 LEU CA C 13 57.457 0.30 . 1 . . . . 27 LEU CA . 15268 1 156 . 1 1 27 27 LEU CB C 13 41.794 0.30 . 1 . . . . 27 LEU CB . 15268 1 157 . 1 1 27 27 LEU N N 15 117.567 0.40 . 1 . . . . 27 LEU N . 15268 1 158 . 1 1 28 28 SER H H 1 8.010 0.02 . 1 . . . . 28 SER HN . 15268 1 159 . 1 1 28 28 SER HA H 1 4.348 0.02 . 1 . . . . 28 SER HA . 15268 1 160 . 1 1 28 28 SER C C 13 178.515 0.30 . 1 . . . . 28 SER C . 15268 1 161 . 1 1 28 28 SER CA C 13 61.275 0.30 . 1 . . . . 28 SER CA . 15268 1 162 . 1 1 28 28 SER CB C 13 63.339 0.30 . 1 . . . . 28 SER CB . 15268 1 163 . 1 1 28 28 SER N N 15 113.313 0.40 . 1 . . . . 28 SER N . 15268 1 164 . 1 1 29 29 SER H H 1 7.899 0.02 . 1 . . . . 29 SER HN . 15268 1 165 . 1 1 29 29 SER HA H 1 4.483 0.02 . 1 . . . . 29 SER HA . 15268 1 166 . 1 1 29 29 SER C C 13 176.227 0.30 . 1 . . . . 29 SER C . 15268 1 167 . 1 1 29 29 SER CA C 13 60.684 0.30 . 1 . . . . 29 SER CA . 15268 1 168 . 1 1 29 29 SER CB C 13 63.720 0.30 . 1 . . . . 29 SER CB . 15268 1 169 . 1 1 29 29 SER N N 15 116.193 0.40 . 1 . . . . 29 SER N . 15268 1 170 . 1 1 30 30 VAL H H 1 7.832 0.02 . 1 . . . . 30 VAL HN . 15268 1 171 . 1 1 30 30 VAL HA H 1 4.131 0.02 . 1 . . . . 30 VAL HA . 15268 1 172 . 1 1 30 30 VAL C C 13 175.982 0.30 . 1 . . . . 30 VAL C . 15268 1 173 . 1 1 30 30 VAL CA C 13 64.518 0.30 . 1 . . . . 30 VAL CA . 15268 1 174 . 1 1 30 30 VAL CB C 13 32.102 0.30 . 1 . . . . 30 VAL CB . 15268 1 175 . 1 1 30 30 VAL N N 15 120.035 0.40 . 1 . . . . 30 VAL N . 15268 1 176 . 1 1 31 31 GLN H H 1 8.252 0.02 . 1 . . . . 31 GLN HN . 15268 1 177 . 1 1 31 31 GLN HA H 1 4.222 0.02 . 1 . . . . 31 GLN HA . 15268 1 178 . 1 1 31 31 GLN C C 13 177.403 0.30 . 1 . . . . 31 GLN C . 15268 1 179 . 1 1 31 31 GLN CA C 13 57.904 0.30 . 1 . . . . 31 GLN CA . 15268 1 180 . 1 1 31 31 GLN CB C 13 29.119 0.30 . 1 . . . . 31 GLN CB . 15268 1 181 . 1 1 31 31 GLN N N 15 120.710 0.40 . 1 . . . . 31 GLN N . 15268 1 182 . 1 1 32 32 GLU H H 1 8.049 0.02 . 1 . . . . 32 GLU HN . 15268 1 183 . 1 1 32 32 GLU HA H 1 4.320 0.02 . 1 . . . . 32 GLU HA . 15268 1 184 . 1 1 32 32 GLU C C 13 176.734 0.30 . 1 . . . . 32 GLU C . 15268 1 185 . 1 1 32 32 GLU CA C 13 57.116 0.30 . 1 . . . . 32 GLU CA . 15268 1 186 . 1 1 32 32 GLU CB C 13 28.505 0.30 . 1 . . . . 32 GLU CB . 15268 1 187 . 1 1 32 32 GLU N N 15 117.872 0.40 . 1 . . . . 32 GLU N . 15268 1 188 . 1 1 33 33 SER H H 1 7.973 0.02 . 1 . . . . 33 SER HN . 15268 1 189 . 1 1 33 33 SER HA H 1 4.454 0.02 . 1 . . . . 33 SER HA . 15268 1 190 . 1 1 33 33 SER C C 13 176.505 0.30 . 1 . . . . 33 SER C . 15268 1 191 . 1 1 33 33 SER CA C 13 59.379 0.30 . 1 . . . . 33 SER CA . 15268 1 192 . 1 1 33 33 SER CB C 13 64.359 0.30 . 1 . . . . 33 SER CB . 15268 1 193 . 1 1 33 33 SER N N 15 115.021 0.40 . 1 . . . . 33 SER N . 15268 1 194 . 1 1 34 34 GLN H H 1 8.379 0.02 . 1 . . . . 34 GLN HN . 15268 1 195 . 1 1 34 34 GLN HA H 1 4.249 0.02 . 1 . . . . 34 GLN HA . 15268 1 196 . 1 1 34 34 GLN C C 13 175.446 0.30 . 1 . . . . 34 GLN C . 15268 1 197 . 1 1 34 34 GLN CA C 13 58.287 0.30 . 1 . . . . 34 GLN CA . 15268 1 198 . 1 1 34 34 GLN CB C 13 28.507 0.30 . 1 . . . . 34 GLN CB . 15268 1 199 . 1 1 34 34 GLN N N 15 121.821 0.40 . 1 . . . . 34 GLN N . 15268 1 200 . 1 1 35 35 VAL H H 1 7.885 0.02 . 1 . . . . 35 VAL HN . 15268 1 201 . 1 1 35 35 VAL HA H 1 3.890 0.02 . 1 . . . . 35 VAL HA . 15268 1 202 . 1 1 35 35 VAL C C 13 178.220 0.30 . 1 . . . . 35 VAL C . 15268 1 203 . 1 1 35 35 VAL CA C 13 65.572 0.30 . 1 . . . . 35 VAL CA . 15268 1 204 . 1 1 35 35 VAL CB C 13 31.809 0.30 . 1 . . . . 35 VAL CB . 15268 1 205 . 1 1 35 35 VAL N N 15 118.193 0.40 . 1 . . . . 35 VAL N . 15268 1 206 . 1 1 36 36 ALA H H 1 7.941 0.02 . 1 . . . . 36 ALA HN . 15268 1 207 . 1 1 36 36 ALA HA H 1 4.017 0.02 . 1 . . . . 36 ALA HA . 15268 1 208 . 1 1 36 36 ALA C C 13 175.366 0.30 . 1 . . . . 36 ALA C . 15268 1 209 . 1 1 36 36 ALA CA C 13 55.299 0.30 . 1 . . . . 36 ALA CA . 15268 1 210 . 1 1 36 36 ALA CB C 13 18.710 0.30 . 1 . . . . 36 ALA CB . 15268 1 211 . 1 1 36 36 ALA N N 15 121.942 0.40 . 1 . . . . 36 ALA N . 15268 1 212 . 1 1 37 37 GLN H H 1 7.771 0.02 . 1 . . . . 37 GLN HN . 15268 1 213 . 1 1 37 37 GLN HA H 1 4.072 0.02 . 1 . . . . 37 GLN HA . 15268 1 214 . 1 1 37 37 GLN C C 13 179.036 0.30 . 1 . . . . 37 GLN C . 15268 1 215 . 1 1 37 37 GLN CA C 13 58.656 0.30 . 1 . . . . 37 GLN CA . 15268 1 216 . 1 1 37 37 GLN CB C 13 28.583 0.30 . 1 . . . . 37 GLN CB . 15268 1 217 . 1 1 37 37 GLN N N 15 115.154 0.40 . 1 . . . . 37 GLN N . 15268 1 218 . 1 1 38 38 GLN H H 1 8.057 0.02 . 1 . . . . 38 GLN HN . 15268 1 219 . 1 1 38 38 GLN HA H 1 4.161 0.02 . 1 . . . . 38 GLN HA . 15268 1 220 . 1 1 38 38 GLN C C 13 178.965 0.30 . 1 . . . . 38 GLN C . 15268 1 221 . 1 1 38 38 GLN CA C 13 57.879 0.30 . 1 . . . . 38 GLN CA . 15268 1 222 . 1 1 38 38 GLN CB C 13 28.936 0.30 . 1 . . . . 38 GLN CB . 15268 1 223 . 1 1 38 38 GLN N N 15 119.273 0.40 . 1 . . . . 38 GLN N . 15268 1 224 . 1 1 39 39 ALA H H 1 8.226 0.02 . 1 . . . . 39 ALA HN . 15268 1 225 . 1 1 39 39 ALA HA H 1 3.878 0.02 . 1 . . . . 39 ALA HA . 15268 1 226 . 1 1 39 39 ALA C C 13 178.002 0.30 . 1 . . . . 39 ALA C . 15268 1 227 . 1 1 39 39 ALA CA C 13 54.780 0.30 . 1 . . . . 39 ALA CA . 15268 1 228 . 1 1 39 39 ALA CB C 13 18.626 0.30 . 1 . . . . 39 ALA CB . 15268 1 229 . 1 1 39 39 ALA N N 15 121.849 0.40 . 1 . . . . 39 ALA N . 15268 1 230 . 1 1 40 40 ARG H H 1 8.078 0.02 . 1 . . . . 40 ARG HN . 15268 1 231 . 1 1 40 40 ARG HA H 1 4.519 0.02 . 1 . . . . 40 ARG HA . 15268 1 232 . 1 1 40 40 ARG C C 13 178.581 0.30 . 1 . . . . 40 ARG C . 15268 1 233 . 1 1 40 40 ARG CA C 13 59.438 0.30 . 1 . . . . 40 ARG CA . 15268 1 234 . 1 1 40 40 ARG CB C 13 30.064 0.30 . 1 . . . . 40 ARG CB . 15268 1 235 . 1 1 40 40 ARG N N 15 116.166 0.40 . 1 . . . . 40 ARG N . 15268 1 236 . 1 1 41 41 GLY H H 1 7.962 0.02 . 1 . . . . 41 GLY HN . 15268 1 237 . 1 1 41 41 GLY HA2 H 1 3.965 0.02 . 1 . . . . 41 GLY HA2 . 15268 1 238 . 1 1 41 41 GLY C C 13 178.678 0.30 . 1 . . . . 41 GLY C . 15268 1 239 . 1 1 41 41 GLY CA C 13 46.734 0.30 . 1 . . . . 41 GLY CA . 15268 1 240 . 1 1 41 41 GLY N N 15 106.758 0.30 . 1 . . . . 41 GLY N . 15268 1 241 . 1 1 42 42 TRP H H 1 7.941 0.40 . 1 . . . . 42 TRP HN . 15268 1 242 . 1 1 42 42 TRP HA H 1 4.027 0.02 . 1 . . . . 42 TRP HA . 15268 1 243 . 1 1 42 42 TRP C C 13 176.967 0.30 . 1 . . . . 42 TRP C . 15268 1 244 . 1 1 42 42 TRP CA C 13 59.749 0.30 . 1 . . . . 42 TRP CA . 15268 1 245 . 1 1 42 42 TRP CB C 13 29.555 0.30 . 1 . . . . 42 TRP CB . 15268 1 246 . 1 1 42 42 TRP N N 15 121.942 0.40 . 1 . . . . 42 TRP N . 15268 1 247 . 1 1 43 43 VAL H H 1 8.025 0.40 . 1 . . . . 43 VAL HN . 15268 1 248 . 1 1 43 43 VAL HA H 1 3.848 0.02 . 1 . . . . 43 VAL HA . 15268 1 249 . 1 1 43 43 VAL C C 13 178.333 0.30 . 1 . . . . 43 VAL C . 15268 1 250 . 1 1 43 43 VAL CA C 13 65.233 0.30 . 1 . . . . 43 VAL CA . 15268 1 251 . 1 1 43 43 VAL CB C 13 32.013 0.30 . 1 . . . . 43 VAL CB . 15268 1 252 . 1 1 43 43 VAL N N 15 116.325 0.40 . 1 . . . . 43 VAL N . 15268 1 253 . 1 1 44 44 THR H H 1 7.969 0.02 . 1 . . . . 44 THR HN . 15268 1 254 . 1 1 44 44 THR HA H 1 4.239 0.02 . 1 . . . . 44 THR HA . 15268 1 255 . 1 1 44 44 THR C C 13 177.224 0.30 . 1 . . . . 44 THR C . 15268 1 256 . 1 1 44 44 THR CA C 13 65.189 0.30 . 1 . . . . 44 THR CA . 15268 1 257 . 1 1 44 44 THR CB C 13 69.255 0.30 . 1 . . . . 44 THR CB . 15268 1 258 . 1 1 44 44 THR N N 15 113.656 0.40 . 1 . . . . 44 THR N . 15268 1 259 . 1 1 45 45 ASP H H 1 8.195 0.02 . 1 . . . . 45 ASP HN . 15268 1 260 . 1 1 45 45 ASP HA H 1 4.759 0.02 . 1 . . . . 45 ASP HA . 15268 1 261 . 1 1 45 45 ASP C C 13 176.240 0.30 . 1 . . . . 45 ASP C . 15268 1 262 . 1 1 45 45 ASP CA C 13 55.102 0.30 . 1 . . . . 45 ASP CA . 15268 1 263 . 1 1 45 45 ASP CB C 13 39.325 0.30 . 1 . . . . 45 ASP CB . 15268 1 264 . 1 1 45 45 ASP N N 15 120.741 0.40 . 1 . . . . 45 ASP N . 15268 1 265 . 1 1 46 46 GLY H H 1 8.193 0.02 . 1 . . . . 46 GLY HN . 15268 1 266 . 1 1 46 46 GLY HA2 H 1 3.809 0.02 . 1 . . . . 46 GLY HA2 . 15268 1 267 . 1 1 46 46 GLY C C 13 177.272 0.30 . 1 . . . . 46 GLY C . 15268 1 268 . 1 1 46 46 GLY CA C 13 46.513 0.30 . 1 . . . . 46 GLY CA . 15268 1 269 . 1 1 46 46 GLY N N 15 108.690 0.40 . 1 . . . . 46 GLY N . 15268 1 270 . 1 1 47 47 PHE H H 1 8.371 0.02 . 1 . . . . 47 PHE HN . 15268 1 271 . 1 1 47 47 PHE HA H 1 4.448 0.02 . 1 . . . . 47 PHE HA . 15268 1 272 . 1 1 47 47 PHE C C 13 174.681 0.30 . 1 . . . . 47 PHE C . 15268 1 273 . 1 1 47 47 PHE CA C 13 60.145 0.30 . 1 . . . . 47 PHE CA . 15268 1 274 . 1 1 47 47 PHE CB C 13 38.825 0.30 . 1 . . . . 47 PHE CB . 15268 1 275 . 1 1 47 47 PHE N N 15 119.504 0.40 . 1 . . . . 47 PHE N . 15268 1 276 . 1 1 48 48 SER H H 1 8.160 0.02 . 1 . . . . 48 SER HN . 15268 1 277 . 1 1 48 48 SER HA H 1 4.195 0.02 . 1 . . . . 48 SER HA . 15268 1 278 . 1 1 48 48 SER C C 13 177.055 0.30 . 1 . . . . 48 SER C . 15268 1 279 . 1 1 48 48 SER CA C 13 61.834 0.30 . 1 . . . . 48 SER CA . 15268 1 280 . 1 1 48 48 SER CB C 13 63.181 0.30 . 1 . . . . 48 SER CB . 15268 1 281 . 1 1 48 48 SER N N 15 113.986 0.40 . 1 . . . . 48 SER N . 15268 1 282 . 1 1 49 49 SER H H 1 8.050 0.02 . 1 . . . . 49 SER HN . 15268 1 283 . 1 1 49 49 SER HA H 1 4.454 0.02 . 1 . . . . 49 SER HA . 15268 1 284 . 1 1 49 49 SER C C 13 176.526 0.30 . 1 . . . . 49 SER C . 15268 1 285 . 1 1 49 49 SER CA C 13 61.217 0.30 . 1 . . . . 49 SER CA . 15268 1 286 . 1 1 49 49 SER CB C 13 63.302 0.30 . 1 . . . . 49 SER CB . 15268 1 287 . 1 1 49 49 SER N N 15 116.779 0.40 . 1 . . . . 49 SER N . 15268 1 288 . 1 1 50 50 LEU H H 1 8.003 0.02 . 1 . . . . 50 LEU HN . 15268 1 289 . 1 1 50 50 LEU HA H 1 4.293 0.02 . 1 . . . . 50 LEU HA . 15268 1 290 . 1 1 50 50 LEU C C 13 175.754 0.30 . 1 . . . . 50 LEU C . 15268 1 291 . 1 1 50 50 LEU CA C 13 58.134 0.30 . 1 . . . . 50 LEU CA . 15268 1 292 . 1 1 50 50 LEU CB C 13 41.976 0.30 . 1 . . . . 50 LEU CB . 15268 1 293 . 1 1 50 50 LEU N N 15 122.176 0.40 . 1 . . . . 50 LEU N . 15268 1 294 . 1 1 51 51 LYS H H 1 8.091 0.02 . 1 . . . . 51 LYS HN . 15268 1 295 . 1 1 51 51 LYS HA H 1 4.072 0.02 . 1 . . . . 51 LYS HA . 15268 1 296 . 1 1 51 51 LYS C C 13 178.459 0.30 . 1 . . . . 51 LYS C . 15268 1 297 . 1 1 51 51 LYS CA C 13 60.375 0.30 . 1 . . . . 51 LYS CA . 15268 1 298 . 1 1 51 51 LYS CB C 13 32.156 0.30 . 1 . . . . 51 LYS CB . 15268 1 299 . 1 1 51 51 LYS N N 15 117.526 0.40 . 1 . . . . 51 LYS N . 15268 1 300 . 1 1 52 52 ASP H H 1 7.915 0.02 . 1 . . . . 52 ASP HN . 15268 1 301 . 1 1 52 52 ASP HA H 1 4.594 0.02 . 1 . . . . 52 ASP HA . 15268 1 302 . 1 1 52 52 ASP C C 13 178.854 0.30 . 1 . . . . 52 ASP C . 15268 1 303 . 1 1 52 52 ASP CA C 13 56.696 0.30 . 1 . . . . 52 ASP CA . 15268 1 304 . 1 1 52 52 ASP CB C 13 39.194 0.30 . 1 . . . . 52 ASP CB . 15268 1 305 . 1 1 52 52 ASP N N 15 119.070 0.40 . 1 . . . . 52 ASP N . 15268 1 306 . 1 1 53 53 TYR H H 1 8.144 0.02 . 1 . . . . 53 TYR HN . 15268 1 307 . 1 1 53 53 TYR HA H 1 4.630 0.02 . 1 . . . . 53 TYR HA . 15268 1 308 . 1 1 53 53 TYR C C 13 178.269 0.30 . 1 . . . . 53 TYR C . 15268 1 309 . 1 1 53 53 TYR CA C 13 60.692 0.30 . 1 . . . . 53 TYR CA . 15268 1 310 . 1 1 53 53 TYR CB C 13 38.569 0.30 . 1 . . . . 53 TYR CB . 15268 1 311 . 1 1 53 53 TYR N N 15 120.243 0.40 . 1 . . . . 53 TYR N . 15268 1 312 . 1 1 54 54 TRP H H 1 8.591 0.02 . 1 . . . . 54 TRP HN . 15268 1 313 . 1 1 54 54 TRP HA H 1 4.494 0.02 . 1 . . . . 54 TRP HA . 15268 1 314 . 1 1 54 54 TRP C C 13 178.007 0.30 . 1 . . . . 54 TRP C . 15268 1 315 . 1 1 54 54 TRP CA C 13 59.747 0.30 . 1 . . . . 54 TRP CA . 15268 1 316 . 1 1 54 54 TRP CB C 13 30.447 0.30 . 1 . . . . 54 TRP CB . 15268 1 317 . 1 1 54 54 TRP N N 15 120.624 0.40 . 1 . . . . 54 TRP N . 15268 1 318 . 1 1 55 55 SER H H 1 8.223 0.02 . 1 . . . . 55 SER HN . 15268 1 319 . 1 1 55 55 SER HA H 1 3.906 0.02 . 1 . . . . 55 SER HA . 15268 1 320 . 1 1 55 55 SER C C 13 176.913 0.30 . 1 . . . . 55 SER C . 15268 1 321 . 1 1 55 55 SER CA C 13 62.150 0.30 . 1 . . . . 55 SER CA . 15268 1 322 . 1 1 55 55 SER CB C 13 63.019 0.30 . 1 . . . . 55 SER CB . 15268 1 323 . 1 1 55 55 SER N N 15 112.199 0.40 . 1 . . . . 55 SER N . 15268 1 324 . 1 1 56 56 THR H H 1 7.689 0.02 . 1 . . . . 56 THR HN . 15268 1 325 . 1 1 56 56 THR HA H 1 4.104 0.02 . 1 . . . . 56 THR HA . 15268 1 326 . 1 1 56 56 THR C C 13 176.440 0.30 . 1 . . . . 56 THR C . 15268 1 327 . 1 1 56 56 THR CA C 13 66.346 0.30 . 1 . . . . 56 THR CA . 15268 1 328 . 1 1 56 56 THR CB C 13 68.858 0.30 . 1 . . . . 56 THR CB . 15268 1 329 . 1 1 56 56 THR N N 15 117.331 0.40 . 1 . . . . 56 THR N . 15268 1 330 . 1 1 57 57 VAL H H 1 7.960 0.02 . 1 . . . . 57 VAL HN . 15268 1 331 . 1 1 57 57 VAL HA H 1 3.623 0.02 . 1 . . . . 57 VAL HA . 15268 1 332 . 1 1 57 57 VAL C C 13 176.128 0.30 . 1 . . . . 57 VAL C . 15268 1 333 . 1 1 57 57 VAL CA C 13 66.489 0.30 . 1 . . . . 57 VAL CA . 15268 1 334 . 1 1 57 57 VAL CB C 13 31.829 0.30 . 1 . . . . 57 VAL CB . 15268 1 335 . 1 1 57 57 VAL N N 15 121.777 0.40 . 1 . . . . 57 VAL N . 15268 1 336 . 1 1 58 58 LYS H H 1 8.100 0.02 . 1 . . . . 58 LYS HN . 15268 1 337 . 1 1 58 58 LYS HA H 1 3.554 0.02 . 1 . . . . 58 LYS HA . 15268 1 338 . 1 1 58 58 LYS C C 13 177.265 0.30 . 1 . . . . 58 LYS C . 15268 1 339 . 1 1 58 58 LYS CA C 13 60.174 0.30 . 1 . . . . 58 LYS CA . 15268 1 340 . 1 1 58 58 LYS CB C 13 31.373 0.30 . 1 . . . . 58 LYS CB . 15268 1 341 . 1 1 58 58 LYS N N 15 119.262 0.40 . 1 . . . . 58 LYS N . 15268 1 342 . 1 1 59 59 ASP H H 1 7.826 0.02 . 1 . . . . 59 ASP HN . 15268 1 343 . 1 1 59 59 ASP HA H 1 4.473 0.02 . 1 . . . . 59 ASP HA . 15268 1 344 . 1 1 59 59 ASP C C 13 178.762 0.30 . 1 . . . . 59 ASP C . 15268 1 345 . 1 1 59 59 ASP CA C 13 56.562 0.30 . 1 . . . . 59 ASP CA . 15268 1 346 . 1 1 59 59 ASP CB C 13 39.446 0.30 . 1 . . . . 59 ASP CB . 15268 1 347 . 1 1 59 59 ASP N N 15 117.771 0.40 . 1 . . . . 59 ASP N . 15268 1 348 . 1 1 60 60 LYS H H 1 8.052 0.02 . 1 . . . . 60 LYS HN . 15268 1 349 . 1 1 60 60 LYS HA H 1 4.141 0.02 . 1 . . . . 60 LYS HA . 15268 1 350 . 1 1 60 60 LYS C C 13 178.220 0.30 . 1 . . . . 60 LYS C . 15268 1 351 . 1 1 60 60 LYS CA C 13 58.383 0.30 . 1 . . . . 60 LYS CA . 15268 1 352 . 1 1 60 60 LYS CB C 13 32.095 0.30 . 1 . . . . 60 LYS CB . 15268 1 353 . 1 1 60 60 LYS N N 15 119.850 0.40 . 1 . . . . 60 LYS N . 15268 1 354 . 1 1 61 61 PHE H H 1 8.301 0.02 . 1 . . . . 61 PHE HN . 15268 1 355 . 1 1 61 61 PHE HA H 1 4.337 0.02 . 1 . . . . 61 PHE HA . 15268 1 356 . 1 1 61 61 PHE C C 13 178.462 0.30 . 1 . . . . 61 PHE C . 15268 1 357 . 1 1 61 61 PHE CA C 13 60.780 0.30 . 1 . . . . 61 PHE CA . 15268 1 358 . 1 1 61 61 PHE CB C 13 39.194 0.30 . 1 . . . . 61 PHE CB . 15268 1 359 . 1 1 61 61 PHE N N 15 118.056 0.40 . 1 . . . . 61 PHE N . 15268 1 360 . 1 1 62 62 SER H H 1 8.160 0.02 . 1 . . . . 62 SER HN . 15268 1 361 . 1 1 62 62 SER HA H 1 4.229 0.02 . 1 . . . . 62 SER HA . 15268 1 362 . 1 1 62 62 SER C C 13 177.060 0.30 . 1 . . . . 62 SER C . 15268 1 363 . 1 1 62 62 SER CA C 13 61.546 0.30 . 1 . . . . 62 SER CA . 15268 1 364 . 1 1 62 62 SER CB C 13 63.368 0.30 . 1 . . . . 62 SER CB . 15268 1 365 . 1 1 62 62 SER N N 15 113.635 0.40 . 1 . . . . 62 SER N . 15268 1 366 . 1 1 63 63 GLU H H 1 7.847 0.02 . 1 . . . . 63 GLU HN . 15268 1 367 . 1 1 63 63 GLU HA H 1 4.200 0.02 . 1 . . . . 63 GLU HA . 15268 1 368 . 1 1 63 63 GLU C C 13 175.917 0.30 . 1 . . . . 63 GLU C . 15268 1 369 . 1 1 63 63 GLU CA C 13 57.833 0.30 . 1 . . . . 63 GLU CA . 15268 1 370 . 1 1 63 63 GLU CB C 13 28.314 0.30 . 1 . . . . 63 GLU CB . 15268 1 371 . 1 1 63 63 GLU N N 15 119.485 0.40 . 1 . . . . 63 GLU N . 15268 1 372 . 1 1 64 64 PHE H H 1 7.792 0.02 . 1 . . . . 64 PHE HN . 15268 1 373 . 1 1 64 64 PHE HA H 1 4.448 0.02 . 1 . . . . 64 PHE HA . 15268 1 374 . 1 1 64 64 PHE C C 13 177.370 0.30 . 1 . . . . 64 PHE C . 15268 1 375 . 1 1 64 64 PHE CA C 13 59.714 0.30 . 1 . . . . 64 PHE CA . 15268 1 376 . 1 1 64 64 PHE CB C 13 39.825 0.30 . 1 . . . . 64 PHE CB . 15268 1 377 . 1 1 64 64 PHE N N 15 118.506 0.40 . 1 . . . . 64 PHE N . 15268 1 378 . 1 1 65 65 TRP H H 1 7.776 0.02 . 1 . . . . 65 TRP HN . 15268 1 379 . 1 1 65 65 TRP HA H 1 4.524 0.02 . 1 . . . . 65 TRP HA . 15268 1 380 . 1 1 65 65 TRP C C 13 175.868 0.30 . 1 . . . . 65 TRP C . 15268 1 381 . 1 1 65 65 TRP CA C 13 57.472 0.30 . 1 . . . . 65 TRP CA . 15268 1 382 . 1 1 65 65 TRP CB C 13 30.031 0.30 . 1 . . . . 65 TRP CB . 15268 1 383 . 1 1 65 65 TRP N N 15 118.247 0.40 . 1 . . . . 65 TRP N . 15268 1 384 . 1 1 66 66 ASP H H 1 7.832 0.02 . 1 . . . . 66 ASP HN . 15268 1 385 . 1 1 66 66 ASP HA H 1 4.708 0.02 . 1 . . . . 66 ASP HA . 15268 1 386 . 1 1 66 66 ASP C C 13 175.345 0.30 . 1 . . . . 66 ASP C . 15268 1 387 . 1 1 66 66 ASP CA C 13 53.378 0.30 . 1 . . . . 66 ASP CA . 15268 1 388 . 1 1 66 66 ASP CB C 13 38.672 0.30 . 1 . . . . 66 ASP CB . 15268 1 389 . 1 1 66 66 ASP N N 15 119.198 0.40 . 1 . . . . 66 ASP N . 15268 1 390 . 1 1 67 67 LEU H H 1 7.877 0.02 . 1 . . . . 67 LEU HN . 15268 1 391 . 1 1 67 67 LEU HA H 1 4.346 0.02 . 1 . . . . 67 LEU HA . 15268 1 392 . 1 1 67 67 LEU C C 13 175.060 0.30 . 1 . . . . 67 LEU C . 15268 1 393 . 1 1 67 67 LEU CA C 13 55.458 0.30 . 1 . . . . 67 LEU CA . 15268 1 394 . 1 1 67 67 LEU CB C 13 42.444 0.30 . 1 . . . . 67 LEU CB . 15268 1 395 . 1 1 67 67 LEU N N 15 121.856 0.40 . 1 . . . . 67 LEU N . 15268 1 396 . 1 1 68 68 ASP H H 1 7.939 0.02 . 1 . . . . 68 ASP HN . 15268 1 397 . 1 1 68 68 ASP HA H 1 4.571 0.02 . 1 . . . . 68 ASP HA . 15268 1 398 . 1 1 68 68 ASP C C 13 176.528 0.30 . 1 . . . . 68 ASP C . 15268 1 399 . 1 1 68 68 ASP CA C 13 54.086 0.30 . 1 . . . . 68 ASP CA . 15268 1 400 . 1 1 68 68 ASP CB C 13 40.423 0.30 . 1 . . . . 68 ASP CB . 15268 1 401 . 1 1 68 68 ASP N N 15 122.966 0.40 . 1 . . . . 68 ASP N . 15268 1 402 . 1 1 69 69 PRO CA C 13 62.556 0.30 . 1 . . . . 69 PRO CA . 15268 1 403 . 1 1 69 69 PRO CB C 13 32.514 0.30 . 1 . . . . 69 PRO CB . 15268 1 404 . 1 1 70 70 GLU H H 1 8.627 0.02 . 1 . . . . 70 GLU HN . 15268 1 405 . 1 1 70 70 GLU HA H 1 4.532 0.02 . 1 . . . . 70 GLU HA . 15268 1 406 . 1 1 70 70 GLU C C 13 172.210 0.30 . 1 . . . . 70 GLU C . 15268 1 407 . 1 1 70 70 GLU CA C 13 56.488 0.30 . 1 . . . . 70 GLU CA . 15268 1 408 . 1 1 70 70 GLU CB C 13 29.544 0.30 . 1 . . . . 70 GLU CB . 15268 1 409 . 1 1 70 70 GLU N N 15 120.105 0.40 . 1 . . . . 70 GLU N . 15268 1 410 . 1 1 71 71 VAL H H 1 7.826 0.02 . 1 . . . . 71 VAL HN . 15268 1 411 . 1 1 71 71 VAL HA H 1 4.210 0.02 . 1 . . . . 71 VAL HA . 15268 1 412 . 1 1 71 71 VAL C C 13 175.329 0.30 . 1 . . . . 71 VAL C . 15268 1 413 . 1 1 71 71 VAL CA C 13 61.895 0.30 . 1 . . . . 71 VAL CA . 15268 1 414 . 1 1 71 71 VAL CB C 13 33.096 0.30 . 1 . . . . 71 VAL CB . 15268 1 415 . 1 1 71 71 VAL N N 15 119.356 0.40 . 1 . . . . 71 VAL N . 15268 1 416 . 1 1 72 72 ARG H H 1 8.103 0.02 . 1 . . . . 72 ARG HN . 15268 1 417 . 1 1 72 72 ARG HA H 1 4.757 0.30 . 1 . . . . 72 ARG HA . 15268 1 418 . 1 1 72 72 ARG C C 13 174.732 0.30 . 1 . . . . 72 ARG C . 15268 1 419 . 1 1 72 72 ARG CA C 13 53.719 0.30 . 1 . . . . 72 ARG CA . 15268 1 420 . 1 1 72 72 ARG CB C 13 30.795 0.30 . 1 . . . . 72 ARG CB . 15268 1 421 . 1 1 72 72 ARG N N 15 122.861 0.40 . 1 . . . . 72 ARG N . 15268 1 422 . 1 1 73 73 PRO CA C 13 64.693 0.30 . 1 . . . . 73 PRO CA . 15268 1 423 . 1 1 73 73 PRO CB C 13 31.605 0.30 . 1 . . . . 73 PRO CB . 15268 1 424 . 1 1 74 74 THR H H 1 7.959 0.02 . 1 . . . . 74 THR HN . 15268 1 425 . 1 1 74 74 THR HA H 1 4.131 0.02 . 1 . . . . 74 THR HA . 15268 1 426 . 1 1 74 74 THR C C 13 176.913 0.30 . 1 . . . . 74 THR C . 15268 1 427 . 1 1 74 74 THR CA C 13 64.309 0.30 . 1 . . . . 74 THR CA . 15268 1 428 . 1 1 74 74 THR CB C 13 69.160 0.30 . 1 . . . . 74 THR CB . 15268 1 429 . 1 1 74 74 THR N N 15 110.152 0.40 . 1 . . . . 74 THR N . 15268 1 430 . 1 1 75 75 SER H H 1 7.997 0.02 . 1 . . . . 75 SER HN . 15268 1 431 . 1 1 75 75 SER HA H 1 4.483 0.02 . 1 . . . . 75 SER HA . 15268 1 432 . 1 1 75 75 SER C C 13 176.093 0.30 . 1 . . . . 75 SER C . 15268 1 433 . 1 1 75 75 SER CA C 13 60.300 0.30 . 1 . . . . 75 SER CA . 15268 1 434 . 1 1 75 75 SER CB C 13 63.327 0.30 . 1 . . . . 75 SER CB . 15268 1 435 . 1 1 75 75 SER N N 15 117.147 0.40 . 1 . . . . 75 SER N . 15268 1 436 . 1 1 76 76 ALA H H 1 8.109 0.02 . 1 . . . . 76 ALA HN . 15268 1 437 . 1 1 76 76 ALA HA H 1 4.219 0.02 . 1 . . . . 76 ALA HA . 15268 1 438 . 1 1 76 76 ALA C C 13 175.737 0.30 . 1 . . . . 76 ALA C . 15268 1 439 . 1 1 76 76 ALA CA C 13 54.932 0.30 . 1 . . . . 76 ALA CA . 15268 1 440 . 1 1 76 76 ALA CB C 13 18.773 0.30 . 1 . . . . 76 ALA CB . 15268 1 441 . 1 1 76 76 ALA N N 15 124.803 0.40 . 1 . . . . 76 ALA N . 15268 1 442 . 1 1 77 77 VAL H H 1 7.798 0.02 . 1 . . . . 77 VAL HN . 15268 1 443 . 1 1 77 77 VAL HA H 1 3.682 0.02 . 1 . . . . 77 VAL HA . 15268 1 444 . 1 1 77 77 VAL C C 13 178.536 0.30 . 1 . . . . 77 VAL C . 15268 1 445 . 1 1 77 77 VAL CA C 13 66.335 0.30 . 1 . . . . 77 VAL CA . 15268 1 446 . 1 1 77 77 VAL CB C 13 31.744 0.30 . 1 . . . . 77 VAL CB . 15268 1 447 . 1 1 77 77 VAL N N 15 115.730 0.40 . 1 . . . . 77 VAL N . 15268 1 448 . 1 1 78 78 ALA H H 1 7.832 0.02 . 1 . . . . 78 ALA HN . 15268 1 449 . 1 1 78 78 ALA HA H 1 4.115 0.02 . 1 . . . . 78 ALA HA . 15268 1 450 . 1 1 78 78 ALA C C 13 177.362 0.30 . 1 . . . . 78 ALA C . 15268 1 451 . 1 1 78 78 ALA CA C 13 54.902 0.30 . 1 . . . . 78 ALA CA . 15268 1 452 . 1 1 78 78 ALA CB C 13 18.311 0.30 . 1 . . . . 78 ALA CB . 15268 1 453 . 1 1 78 78 ALA N N 15 121.924 0.40 . 1 . . . . 78 ALA N . 15268 1 454 . 1 1 79 79 ALA H H 1 7.849 0.02 . 1 . . . . 79 ALA HN . 15268 1 455 . 1 1 79 79 ALA HA H 1 4.219 0.02 . 1 . . . . 79 ALA HA . 15268 1 456 . 1 1 79 79 ALA C C 13 179.830 0.30 . 1 . . . . 79 ALA C . 15268 1 457 . 1 1 79 79 ALA CA C 13 54.840 0.30 . 1 . . . . 79 ALA CA . 15268 1 458 . 1 1 79 79 ALA CB C 13 18.616 0.30 . 1 . . . . 79 ALA CB . 15268 1 459 . 1 1 79 79 ALA N N 15 119.912 0.40 . 1 . . . . 79 ALA N . 15268 1 stop_ save_