data_18194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18194 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the 72-residue N-terminal domain of Myxococcus xanthus CarD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-12 _Entry.Accession_date 2012-01-12 _Entry.Last_release_date 2013-11-11 _Entry.Original_release_date 2013-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Angeles Jimenez M. . . 18194 2 S. Padmanabhan . . . 18194 3 Jorge Santoro . . . 18194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 18194 '15N chemical shifts' 73 18194 '1H chemical shifts' 506 18194 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-11-11 2012-01-12 original author . 18194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18121 ; CdnL N-terminal domain from Myxococcus xanthus residues 1-68 ; 18194 BMRB 18151 'CdnL from Myxococcus xanthus' 18194 BMRB 18193 ; TtCdnL N-terminal domain from Thermus thermophilus residues 1-67 ; 18194 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18194 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the 72-residue N-terminal domain of Myxococcus xanthus CarD' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Yasmina Mirassou . . . 18194 1 2 Aranzazu Gallego-Garcia . . . 18194 1 3 Francisco Garcia-Heras . . . 18194 1 4 Diana Garcia-Moreno . . . 18194 1 5 Francisco Murillo . J. . 18194 1 6 Monserrat Elias-Arnanz . . . 18194 1 7 Angeles Jimenez M. . . 18194 1 8 S. Padmanabhan . . . 18194 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CarD 18194 1 CarD_TRCF 18194 1 CarG 18194 1 CdnL 18194 1 'Myxococcus xanthus' 18194 1 PF02559 18194 1 'RNA polymerase interacting domain' 18194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18194 _Assembly.ID 1 _Assembly.Name CarD1-72 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7437.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'The 72-residue N-terminal domain of Myxococcus xanthus CarD' _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 CarD1-72 1 $CarD1-72 A . yes native no no . . . 18194 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Interacts with the beta subunit of RNA polymerase.' 18194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CarD1-72 _Entity.Sf_category entity _Entity.Sf_framecode CarD1-72 _Entity.Entry_ID 18194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CarD1-72 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGHMPEGSASLQLAVGDRVV YPNQGVCRVSAIDVKEVAGQ KLTFVTMRREEDGAVVMVPE GKVLAIGVRKVASAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'AGH is the N-terminal cloning tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CarD1-72 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7879.1 _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 PDB 2LT1 . "Solution Nmr Structure Of The 72-residue N-terminal Domain Of Myxococcus Xanthus Card" . . . . . 100.00 75 100.00 100.00 2.32e-44 . . . . 18194 1 2 no EMBL CAA91224 . "carD [Myxococcus xanthus]" . . . . . 96.00 316 100.00 100.00 5.40e-40 . . . . 18194 1 3 no GB ABF89657 . "transcriptional regulator CarD [Myxococcus xanthus DK 1622]" . . . . . 96.00 316 100.00 100.00 5.40e-40 . . . . 18194 1 4 no GB AEI68999 . "transcriptional regulator CarD [Myxococcus fulvus HW-1]" . . . . . 96.00 294 100.00 100.00 7.58e-40 . . . . 18194 1 5 no GB AKQ64384 . "transcriptional regulator, CarD family [Myxococcus sp. (contaminant ex DSM 436)]" . . . . . 96.00 314 100.00 100.00 6.69e-40 . . . . 18194 1 6 no REF WP_002634407 . "transcriptional regulator [Myxococcus sp. (contaminant ex DSM 436)]" . . . . . 96.00 314 100.00 100.00 6.69e-40 . . . . 18194 1 7 no REF WP_011555576 . "transcriptional regulator [Myxococcus xanthus]" . . . . . 96.00 316 100.00 100.00 5.40e-40 . . . . 18194 1 8 no REF WP_013942069 . "transcriptional regulator [Myxococcus fulvus]" . . . . . 96.00 294 100.00 100.00 7.58e-40 . . . . 18194 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Interacts with the RNA polymerase beta subunit but not CarG.' 18194 1 'The RNA polymerase interacting domain of Myxococcus xanthus global transcriptional regulator CarD involved in light-induced carotenogenesis, fruiting-body development and other processes.' 18194 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 . ALA . 18194 1 2 . GLY . 18194 1 3 . HIS . 18194 1 4 . MET . 18194 1 5 . PRO . 18194 1 6 . GLU . 18194 1 7 . GLY . 18194 1 8 . SER . 18194 1 9 . ALA . 18194 1 10 . SER . 18194 1 11 . LEU . 18194 1 12 . GLN . 18194 1 13 . LEU . 18194 1 14 . ALA . 18194 1 15 . VAL . 18194 1 16 . GLY . 18194 1 17 . ASP . 18194 1 18 . ARG . 18194 1 19 . VAL . 18194 1 20 . VAL . 18194 1 21 . TYR . 18194 1 22 . PRO . 18194 1 23 . ASN . 18194 1 24 . GLN . 18194 1 25 . GLY . 18194 1 26 . VAL . 18194 1 27 . CYS . 18194 1 28 . ARG . 18194 1 29 . VAL . 18194 1 30 . SER . 18194 1 31 . ALA . 18194 1 32 . ILE . 18194 1 33 . ASP . 18194 1 34 . VAL . 18194 1 35 . LYS . 18194 1 36 . GLU . 18194 1 37 . VAL . 18194 1 38 . ALA . 18194 1 39 . GLY . 18194 1 40 . GLN . 18194 1 41 . LYS . 18194 1 42 . LEU . 18194 1 43 . THR . 18194 1 44 . PHE . 18194 1 45 . VAL . 18194 1 46 . THR . 18194 1 47 . MET . 18194 1 48 . ARG . 18194 1 49 . ARG . 18194 1 50 . GLU . 18194 1 51 . GLU . 18194 1 52 . ASP . 18194 1 53 . GLY . 18194 1 54 . ALA . 18194 1 55 . VAL . 18194 1 56 . VAL . 18194 1 57 . MET . 18194 1 58 . VAL . 18194 1 59 . PRO . 18194 1 60 . GLU . 18194 1 61 . GLY . 18194 1 62 . LYS . 18194 1 63 . VAL . 18194 1 64 . LEU . 18194 1 65 . ALA . 18194 1 66 . ILE . 18194 1 67 . GLY . 18194 1 68 . VAL . 18194 1 69 . ARG . 18194 1 70 . LYS . 18194 1 71 . VAL . 18194 1 72 . ALA . 18194 1 73 . SER . 18194 1 74 . ALA . 18194 1 75 . GLU . 18194 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 . ALA 1 1 18194 1 . GLY 2 2 18194 1 . HIS 3 3 18194 1 . MET 4 4 18194 1 . PRO 5 5 18194 1 . GLU 6 6 18194 1 . GLY 7 7 18194 1 . SER 8 8 18194 1 . ALA 9 9 18194 1 . SER 10 10 18194 1 . LEU 11 11 18194 1 . GLN 12 12 18194 1 . LEU 13 13 18194 1 . ALA 14 14 18194 1 . VAL 15 15 18194 1 . GLY 16 16 18194 1 . ASP 17 17 18194 1 . ARG 18 18 18194 1 . VAL 19 19 18194 1 . VAL 20 20 18194 1 . TYR 21 21 18194 1 . PRO 22 22 18194 1 . ASN 23 23 18194 1 . GLN 24 24 18194 1 . GLY 25 25 18194 1 . VAL 26 26 18194 1 . CYS 27 27 18194 1 . ARG 28 28 18194 1 . VAL 29 29 18194 1 . SER 30 30 18194 1 . ALA 31 31 18194 1 . ILE 32 32 18194 1 . ASP 33 33 18194 1 . VAL 34 34 18194 1 . LYS 35 35 18194 1 . GLU 36 36 18194 1 . VAL 37 37 18194 1 . ALA 38 38 18194 1 . GLY 39 39 18194 1 . GLN 40 40 18194 1 . LYS 41 41 18194 1 . LEU 42 42 18194 1 . THR 43 43 18194 1 . PHE 44 44 18194 1 . VAL 45 45 18194 1 . THR 46 46 18194 1 . MET 47 47 18194 1 . ARG 48 48 18194 1 . ARG 49 49 18194 1 . GLU 50 50 18194 1 . GLU 51 51 18194 1 . ASP 52 52 18194 1 . GLY 53 53 18194 1 . ALA 54 54 18194 1 . VAL 55 55 18194 1 . VAL 56 56 18194 1 . MET 57 57 18194 1 . VAL 58 58 18194 1 . PRO 59 59 18194 1 . GLU 60 60 18194 1 . GLY 61 61 18194 1 . LYS 62 62 18194 1 . VAL 63 63 18194 1 . LEU 64 64 18194 1 . ALA 65 65 18194 1 . ILE 66 66 18194 1 . GLY 67 67 18194 1 . VAL 68 68 18194 1 . ARG 69 69 18194 1 . LYS 70 70 18194 1 . VAL 71 71 18194 1 . ALA 72 72 18194 1 . SER 73 73 18194 1 . ALA 74 74 18194 1 . GLU 75 75 18194 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 18194 _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 $CarD1-72 . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus . . . . . . . . . . . . . . . . carD . . . . 18194 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 18194 _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 $CarD1-72 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTYB12 . . . . . . 18194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18194 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CarD1-72 'natural abundance' . . 1 $CarD1-72 . . 1 . . mM . . . . 18194 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18194 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18194 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18194 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18194 1 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18194 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18194 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18194 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18194 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CarD1-72 'natural abundance' . . 1 $CarD1-72 . . 1 . . mM . . . . 18194 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18194 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18194 2 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18194 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18194 2 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18194 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18194 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18194 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CarD1-72 '[U-100% 13C; U-100% 15N]' . . 1 $CarD1-72 . . 1 . . mM . . . . 18194 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18194 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18194 3 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18194 3 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18194 3 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18194 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18194 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18194 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18194 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 CarD1-72 '[U-100% 13C; U-100% 15N]' . . 1 $CarD1-72 . . 1 . . mM . . . . 18194 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18194 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18194 4 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18194 4 5 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18194 4 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 18194 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18194 4 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 18194 _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' 0.15 . M 18194 1 pH 7.0 0.1 pH 18194 1 pressure 1 . atm 18194 1 temperature 298 0.1 K 18194 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18194 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18194 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18194 1 processing 18194 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18194 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18194 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18194 2 'peak picking' 18194 2 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 18194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18194 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18194 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18194 1 2 spectrometer_2 Bruker Avance . 600 . . . 18194 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 18194 _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-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18194 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 9 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 11 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 13 '3D HBHANH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18194 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 18194 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18194 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18194 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18194 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 18194 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '1H, 13C and 15N chemical shifts at 25 C' _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 3 '2D 1H-1H NOESY' . . . 18194 1 6 '2D 1H-1H NOESY' . . . 18194 1 7 '2D 1H-15N HSQC' . . . 18194 1 8 '3D HNCO' . . . 18194 1 9 '3D HNCA' . . . 18194 1 10 '3D CBCA(CO)NH' . . . 18194 1 11 '3D HNCACB' . . . 18194 1 12 '3D HBHA(CO)NH' . . . 18194 1 13 '3D HBHANH' . . . 18194 1 14 '2D 1H-13C HSQC aliphatic' . . . 18194 1 15 '3D HCCH-TOCSY' . . . 18194 1 16 '3D 1H-13C NOESY' . . . 18194 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 ALA HA H 1 4.104 0.01 . 1 . . . . 1 ALA HA . 18194 1 2 . 1 1 1 1 ALA HB1 H 1 1.522 0.01 . 1 . . . . 1 ALA QB . 18194 1 3 . 1 1 1 1 ALA HB2 H 1 1.522 0.01 . 1 . . . . 1 ALA QB . 18194 1 4 . 1 1 1 1 ALA HB3 H 1 1.522 0.01 . 1 . . . . 1 ALA QB . 18194 1 5 . 1 1 1 1 ALA CA C 13 51.831 0.1 . 1 . . . . 1 ALA CA . 18194 1 6 . 1 1 1 1 ALA CB C 13 19.348 0.1 . 1 . . . . 1 ALA CB . 18194 1 7 . 1 1 3 3 HIS HA H 1 4.642 0.01 . 1 . . . . 3 HIS HA . 18194 1 8 . 1 1 3 3 HIS HB2 H 1 3.078 0.01 . 2 . . . . 3 HIS HB2 . 18194 1 9 . 1 1 3 3 HIS HB3 H 1 3.105 0.01 . 2 . . . . 3 HIS HB3 . 18194 1 10 . 1 1 3 3 HIS C C 13 175.186 0.1 . 1 . . . . 3 HIS C . 18194 1 11 . 1 1 3 3 HIS CA C 13 56.191 0.1 . 1 . . . . 3 HIS CA . 18194 1 12 . 1 1 3 3 HIS CB C 13 30.716 0.1 . 1 . . . . 3 HIS CB . 18194 1 13 . 1 1 4 4 MET H H 1 8.306 0.01 . 1 . . . . 4 MET H . 18194 1 14 . 1 1 4 4 MET HA H 1 4.801 0.01 . 1 . . . . 4 MET HA . 18194 1 15 . 1 1 4 4 MET HB2 H 1 1.920 0.01 . 2 . . . . 4 MET HB2 . 18194 1 16 . 1 1 4 4 MET HB3 H 1 2.035 0.01 . 2 . . . . 4 MET HB3 . 18194 1 17 . 1 1 4 4 MET HG2 H 1 2.477 0.01 . 2 . . . . 4 MET HG2 . 18194 1 18 . 1 1 4 4 MET HG3 H 1 2.570 0.01 . 2 . . . . 4 MET HG3 . 18194 1 19 . 1 1 4 4 MET CA C 13 53.055 0.1 . 1 . . . . 4 MET CA . 18194 1 20 . 1 1 4 4 MET CB C 13 32.335 0.1 . 1 . . . . 4 MET CB . 18194 1 21 . 1 1 4 4 MET CG C 13 33.471 0.1 . 1 . . . . 4 MET CG . 18194 1 22 . 1 1 4 4 MET N N 15 123.356 0.1 . 1 . . . . 4 MET N . 18194 1 23 . 1 1 5 5 PRO HA H 1 4.403 0.01 . 1 . . . . 5 PRO HA . 18194 1 24 . 1 1 5 5 PRO HB2 H 1 1.916 0.01 . 2 . . . . 5 PRO HB2 . 18194 1 25 . 1 1 5 5 PRO HB3 H 1 2.310 0.01 . 2 . . . . 5 PRO HB3 . 18194 1 26 . 1 1 5 5 PRO HG2 H 1 2.003 0.01 . 2 . . . . 5 PRO HG2 . 18194 1 27 . 1 1 5 5 PRO HG3 H 1 2.026 0.01 . 2 . . . . 5 PRO HG3 . 18194 1 28 . 1 1 5 5 PRO HD2 H 1 3.664 0.01 . 2 . . . . 5 PRO HD2 . 18194 1 29 . 1 1 5 5 PRO HD3 H 1 3.777 0.01 . 2 . . . . 5 PRO HD3 . 18194 1 30 . 1 1 5 5 PRO C C 13 177.015 0.1 . 1 . . . . 5 PRO C . 18194 1 31 . 1 1 5 5 PRO CA C 13 63.292 0.1 . 1 . . . . 5 PRO CA . 18194 1 32 . 1 1 5 5 PRO CB C 13 32.121 0.1 . 1 . . . . 5 PRO CB . 18194 1 33 . 1 1 5 5 PRO CG C 13 27.405 0.1 . 1 . . . . 5 PRO CG . 18194 1 34 . 1 1 5 5 PRO CD C 13 50.781 0.1 . 1 . . . . 5 PRO CD . 18194 1 35 . 1 1 6 6 GLU H H 1 8.651 0.01 . 1 . . . . 6 GLU H . 18194 1 36 . 1 1 6 6 GLU HA H 1 4.257 0.01 . 1 . . . . 6 GLU HA . 18194 1 37 . 1 1 6 6 GLU HB2 H 1 1.979 0.01 . 2 . . . . 6 GLU HB2 . 18194 1 38 . 1 1 6 6 GLU HB3 H 1 2.069 0.01 . 2 . . . . 6 GLU HB3 . 18194 1 39 . 1 1 6 6 GLU HG2 H 1 2.301 0.01 . 2 . . . . 6 GLU QG . 18194 1 40 . 1 1 6 6 GLU HG3 H 1 2.301 0.01 . 2 . . . . 6 GLU QG . 18194 1 41 . 1 1 6 6 GLU C C 13 177.219 0.1 . 1 . . . . 6 GLU C . 18194 1 42 . 1 1 6 6 GLU CA C 13 56.897 0.1 . 1 . . . . 6 GLU CA . 18194 1 43 . 1 1 6 6 GLU CB C 13 30.184 0.1 . 1 . . . . 6 GLU CB . 18194 1 44 . 1 1 6 6 GLU CG C 13 36.284 0.1 . 1 . . . . 6 GLU CG . 18194 1 45 . 1 1 6 6 GLU N N 15 121.815 0.1 . 1 . . . . 6 GLU N . 18194 1 46 . 1 1 7 7 GLY H H 1 8.495 0.01 . 1 . . . . 7 GLY H . 18194 1 47 . 1 1 7 7 GLY HA2 H 1 4.015 0.01 . 2 . . . . 7 GLY QA . 18194 1 48 . 1 1 7 7 GLY HA3 H 1 4.015 0.01 . 2 . . . . 7 GLY QA . 18194 1 49 . 1 1 7 7 GLY C C 13 174.391 0.1 . 1 . . . . 7 GLY C . 18194 1 50 . 1 1 7 7 GLY CA C 13 45.378 0.1 . 1 . . . . 7 GLY CA . 18194 1 51 . 1 1 7 7 GLY N N 15 110.336 0.1 . 1 . . . . 7 GLY N . 18194 1 52 . 1 1 8 8 SER H H 1 8.196 0.01 . 1 . . . . 8 SER H . 18194 1 53 . 1 1 8 8 SER HA H 1 4.468 0.01 . 1 . . . . 8 SER HA . 18194 1 54 . 1 1 8 8 SER HB2 H 1 3.884 0.01 . 2 . . . . 8 SER QB . 18194 1 55 . 1 1 8 8 SER HB3 H 1 3.884 0.01 . 2 . . . . 8 SER QB . 18194 1 56 . 1 1 8 8 SER C C 13 174.465 0.1 . 1 . . . . 8 SER C . 18194 1 57 . 1 1 8 8 SER CA C 13 58.509 0.1 . 1 . . . . 8 SER CA . 18194 1 58 . 1 1 8 8 SER CB C 13 64.013 0.1 . 1 . . . . 8 SER CB . 18194 1 59 . 1 1 8 8 SER N N 15 115.582 0.1 . 1 . . . . 8 SER N . 18194 1 60 . 1 1 9 9 ALA H H 1 8.379 0.01 . 1 . . . . 9 ALA H . 18194 1 61 . 1 1 9 9 ALA HA H 1 4.387 0.01 . 1 . . . . 9 ALA HA . 18194 1 62 . 1 1 9 9 ALA HB1 H 1 1.418 0.01 . 1 . . . . 9 ALA QB . 18194 1 63 . 1 1 9 9 ALA HB2 H 1 1.418 0.01 . 1 . . . . 9 ALA QB . 18194 1 64 . 1 1 9 9 ALA HB3 H 1 1.418 0.01 . 1 . . . . 9 ALA QB . 18194 1 65 . 1 1 9 9 ALA C C 13 177.602 0.1 . 1 . . . . 9 ALA C . 18194 1 66 . 1 1 9 9 ALA CA C 13 52.708 0.1 . 1 . . . . 9 ALA CA . 18194 1 67 . 1 1 9 9 ALA CB C 13 19.336 0.1 . 1 . . . . 9 ALA CB . 18194 1 68 . 1 1 9 9 ALA N N 15 125.946 0.1 . 1 . . . . 9 ALA N . 18194 1 69 . 1 1 10 10 SER H H 1 8.177 0.01 . 1 . . . . 10 SER H . 18194 1 70 . 1 1 10 10 SER HA H 1 4.432 0.01 . 1 . . . . 10 SER HA . 18194 1 71 . 1 1 10 10 SER HB2 H 1 3.854 0.01 . 2 . . . . 10 SER QB . 18194 1 72 . 1 1 10 10 SER HB3 H 1 3.854 0.01 . 2 . . . . 10 SER QB . 18194 1 73 . 1 1 10 10 SER C C 13 174.194 0.1 . 1 . . . . 10 SER C . 18194 1 74 . 1 1 10 10 SER CA C 13 58.275 0.1 . 1 . . . . 10 SER CA . 18194 1 75 . 1 1 10 10 SER CB C 13 64.002 0.1 . 1 . . . . 10 SER CB . 18194 1 76 . 1 1 10 10 SER N N 15 114.455 0.1 . 1 . . . . 10 SER N . 18194 1 77 . 1 1 11 11 LEU H H 1 8.224 0.01 . 1 . . . . 11 LEU H . 18194 1 78 . 1 1 11 11 LEU HA H 1 4.309 0.01 . 1 . . . . 11 LEU HA . 18194 1 79 . 1 1 11 11 LEU HB2 H 1 1.577 0.01 . 2 . . . . 11 LEU HB2 . 18194 1 80 . 1 1 11 11 LEU HB3 H 1 1.624 0.01 . 2 . . . . 11 LEU HB3 . 18194 1 81 . 1 1 11 11 LEU HG H 1 1.536 0.01 . 1 . . . . 11 LEU HG . 18194 1 82 . 1 1 11 11 LEU HD11 H 1 0.837 0.01 . 2 . . . . 11 LEU QD1 . 18194 1 83 . 1 1 11 11 LEU HD12 H 1 0.837 0.01 . 2 . . . . 11 LEU QD1 . 18194 1 84 . 1 1 11 11 LEU HD13 H 1 0.837 0.01 . 2 . . . . 11 LEU QD1 . 18194 1 85 . 1 1 11 11 LEU HD21 H 1 0.891 0.01 . 2 . . . . 11 LEU QD2 . 18194 1 86 . 1 1 11 11 LEU HD22 H 1 0.891 0.01 . 2 . . . . 11 LEU QD2 . 18194 1 87 . 1 1 11 11 LEU HD23 H 1 0.891 0.01 . 2 . . . . 11 LEU QD2 . 18194 1 88 . 1 1 11 11 LEU C C 13 176.201 0.1 . 1 . . . . 11 LEU C . 18194 1 89 . 1 1 11 11 LEU CA C 13 55.242 0.1 . 1 . . . . 11 LEU CA . 18194 1 90 . 1 1 11 11 LEU CB C 13 42.622 0.1 . 1 . . . . 11 LEU CB . 18194 1 91 . 1 1 11 11 LEU CG C 13 27.104 0.1 . 1 . . . . 11 LEU CG . 18194 1 92 . 1 1 11 11 LEU CD1 C 13 24.603 0.1 . 2 . . . . 11 LEU CD1 . 18194 1 93 . 1 1 11 11 LEU CD2 C 13 24.604 0.1 . 2 . . . . 11 LEU CD2 . 18194 1 94 . 1 1 11 11 LEU N N 15 123.992 0.1 . 1 . . . . 11 LEU N . 18194 1 95 . 1 1 12 12 GLN H H 1 8.377 0.01 . 1 . . . . 12 GLN H . 18194 1 96 . 1 1 12 12 GLN HA H 1 4.339 0.01 . 1 . . . . 12 GLN HA . 18194 1 97 . 1 1 12 12 GLN HB2 H 1 1.948 0.01 . 2 . . . . 12 GLN HB2 . 18194 1 98 . 1 1 12 12 GLN HB3 H 1 2.075 0.01 . 2 . . . . 12 GLN HB3 . 18194 1 99 . 1 1 12 12 GLN HG2 H 1 2.297 0.01 . 2 . . . . 12 GLN QG . 18194 1 100 . 1 1 12 12 GLN HG3 H 1 2.297 0.01 . 2 . . . . 12 GLN QG . 18194 1 101 . 1 1 12 12 GLN HE21 H 1 6.841 0.01 . 2 . . . . 12 GLN HE21 . 18194 1 102 . 1 1 12 12 GLN HE22 H 1 7.553 0.01 . 2 . . . . 12 GLN HE22 . 18194 1 103 . 1 1 12 12 GLN C C 13 175.222 0.1 . 1 . . . . 12 GLN C . 18194 1 104 . 1 1 12 12 GLN CA C 13 55.390 0.1 . 1 . . . . 12 GLN CA . 18194 1 105 . 1 1 12 12 GLN CB C 13 29.276 0.1 . 1 . . . . 12 GLN CB . 18194 1 106 . 1 1 12 12 GLN CG C 13 33.801 0.1 . 1 . . . . 12 GLN CG . 18194 1 107 . 1 1 12 12 GLN CD C 13 180.796 0.1 . 1 . . . . 12 GLN CD . 18194 1 108 . 1 1 12 12 GLN N N 15 122.433 0.1 . 1 . . . . 12 GLN N . 18194 1 109 . 1 1 12 12 GLN NE2 N 15 112.753 0.1 . 1 . . . . 12 GLN NE2 . 18194 1 110 . 1 1 13 13 LEU H H 1 8.266 0.01 . 1 . . . . 13 LEU H . 18194 1 111 . 1 1 13 13 LEU HA H 1 4.517 0.01 . 1 . . . . 13 LEU HA . 18194 1 112 . 1 1 13 13 LEU HB2 H 1 1.300 0.01 . 2 . . . . 13 LEU HB2 . 18194 1 113 . 1 1 13 13 LEU HB3 H 1 1.644 0.01 . 2 . . . . 13 LEU HB3 . 18194 1 114 . 1 1 13 13 LEU HG H 1 1.639 0.01 . 1 . . . . 13 LEU HG . 18194 1 115 . 1 1 13 13 LEU HD11 H 1 0.805 0.01 . 2 . . . . 13 LEU QD1 . 18194 1 116 . 1 1 13 13 LEU HD12 H 1 0.805 0.01 . 2 . . . . 13 LEU QD1 . 18194 1 117 . 1 1 13 13 LEU HD13 H 1 0.805 0.01 . 2 . . . . 13 LEU QD1 . 18194 1 118 . 1 1 13 13 LEU HD21 H 1 0.851 0.01 . 2 . . . . 13 LEU QD2 . 18194 1 119 . 1 1 13 13 LEU HD22 H 1 0.851 0.01 . 2 . . . . 13 LEU QD2 . 18194 1 120 . 1 1 13 13 LEU HD23 H 1 0.851 0.01 . 2 . . . . 13 LEU QD2 . 18194 1 121 . 1 1 13 13 LEU C C 13 174.759 0.1 . 1 . . . . 13 LEU C . 18194 1 122 . 1 1 13 13 LEU CA C 13 54.272 0.1 . 1 . . . . 13 LEU CA . 18194 1 123 . 1 1 13 13 LEU CB C 13 44.677 0.1 . 1 . . . . 13 LEU CB . 18194 1 124 . 1 1 13 13 LEU CG C 13 26.891 0.1 . 1 . . . . 13 LEU CG . 18194 1 125 . 1 1 13 13 LEU CD1 C 13 23.922 0.1 . 2 . . . . 13 LEU CD1 . 18194 1 126 . 1 1 13 13 LEU CD2 C 13 26.011 0.1 . 2 . . . . 13 LEU CD2 . 18194 1 127 . 1 1 13 13 LEU N N 15 122.962 0.1 . 1 . . . . 13 LEU N . 18194 1 128 . 1 1 14 14 ALA H H 1 8.801 0.01 . 1 . . . . 14 ALA H . 18194 1 129 . 1 1 14 14 ALA HA H 1 4.562 0.01 . 1 . . . . 14 ALA HA . 18194 1 130 . 1 1 14 14 ALA HB1 H 1 1.307 0.01 . 1 . . . . 14 ALA QB . 18194 1 131 . 1 1 14 14 ALA HB2 H 1 1.307 0.01 . 1 . . . . 14 ALA QB . 18194 1 132 . 1 1 14 14 ALA HB3 H 1 1.307 0.01 . 1 . . . . 14 ALA QB . 18194 1 133 . 1 1 14 14 ALA C C 13 176.764 0.1 . 1 . . . . 14 ALA C . 18194 1 134 . 1 1 14 14 ALA CA C 13 49.933 0.1 . 1 . . . . 14 ALA CA . 18194 1 135 . 1 1 14 14 ALA CB C 13 22.235 0.1 . 1 . . . . 14 ALA CB . 18194 1 136 . 1 1 14 14 ALA N N 15 124.629 0.1 . 1 . . . . 14 ALA N . 18194 1 137 . 1 1 15 15 VAL H H 1 8.457 0.01 . 1 . . . . 15 VAL H . 18194 1 138 . 1 1 15 15 VAL HA H 1 3.236 0.01 . 1 . . . . 15 VAL HA . 18194 1 139 . 1 1 15 15 VAL HB H 1 1.891 0.01 . 1 . . . . 15 VAL HB . 18194 1 140 . 1 1 15 15 VAL HG11 H 1 0.904 0.01 . 2 . . . . 15 VAL QG1 . 18194 1 141 . 1 1 15 15 VAL HG12 H 1 0.904 0.01 . 2 . . . . 15 VAL QG1 . 18194 1 142 . 1 1 15 15 VAL HG13 H 1 0.904 0.01 . 2 . . . . 15 VAL QG1 . 18194 1 143 . 1 1 15 15 VAL HG21 H 1 0.943 0.01 . 2 . . . . 15 VAL QG2 . 18194 1 144 . 1 1 15 15 VAL HG22 H 1 0.943 0.01 . 2 . . . . 15 VAL QG2 . 18194 1 145 . 1 1 15 15 VAL HG23 H 1 0.943 0.01 . 2 . . . . 15 VAL QG2 . 18194 1 146 . 1 1 15 15 VAL C C 13 177.402 0.1 . 1 . . . . 15 VAL C . 18194 1 147 . 1 1 15 15 VAL CA C 13 65.744 0.1 . 1 . . . . 15 VAL CA . 18194 1 148 . 1 1 15 15 VAL CB C 13 31.033 0.1 . 1 . . . . 15 VAL CB . 18194 1 149 . 1 1 15 15 VAL CG1 C 13 21.526 0.1 . 2 . . . . 15 VAL CG1 . 18194 1 150 . 1 1 15 15 VAL CG2 C 13 22.599 0.1 . 2 . . . . 15 VAL CG2 . 18194 1 151 . 1 1 15 15 VAL N N 15 120.179 0.1 . 1 . . . . 15 VAL N . 18194 1 152 . 1 1 16 16 GLY H H 1 9.043 0.01 . 1 . . . . 16 GLY H . 18194 1 153 . 1 1 16 16 GLY HA2 H 1 3.572 0.01 . 2 . . . . 16 GLY HA2 . 18194 1 154 . 1 1 16 16 GLY HA3 H 1 4.591 0.01 . 2 . . . . 16 GLY HA3 . 18194 1 155 . 1 1 16 16 GLY C C 13 174.693 0.1 . 1 . . . . 16 GLY C . 18194 1 156 . 1 1 16 16 GLY CA C 13 44.484 0.1 . 1 . . . . 16 GLY CA . 18194 1 157 . 1 1 16 16 GLY N N 15 116.873 0.1 . 1 . . . . 16 GLY N . 18194 1 158 . 1 1 17 17 ASP H H 1 8.186 0.01 . 1 . . . . 17 ASP H . 18194 1 159 . 1 1 17 17 ASP HA H 1 4.567 0.01 . 1 . . . . 17 ASP HA . 18194 1 160 . 1 1 17 17 ASP HB2 H 1 2.418 0.01 . 2 . . . . 17 ASP HB2 . 18194 1 161 . 1 1 17 17 ASP HB3 H 1 2.844 0.01 . 2 . . . . 17 ASP HB3 . 18194 1 162 . 1 1 17 17 ASP C C 13 175.280 0.1 . 1 . . . . 17 ASP C . 18194 1 163 . 1 1 17 17 ASP CA C 13 55.819 0.1 . 1 . . . . 17 ASP CA . 18194 1 164 . 1 1 17 17 ASP CB C 13 41.373 0.1 . 1 . . . . 17 ASP CB . 18194 1 165 . 1 1 17 17 ASP N N 15 122.053 0.1 . 1 . . . . 17 ASP N . 18194 1 166 . 1 1 18 18 ARG H H 1 8.716 0.01 . 1 . . . . 18 ARG H . 18194 1 167 . 1 1 18 18 ARG HA H 1 5.228 0.01 . 1 . . . . 18 ARG HA . 18194 1 168 . 1 1 18 18 ARG HB2 H 1 1.701 0.01 . 2 . . . . 18 ARG QB . 18194 1 169 . 1 1 18 18 ARG HB3 H 1 1.701 0.01 . 2 . . . . 18 ARG QB . 18194 1 170 . 1 1 18 18 ARG HG2 H 1 1.382 0.01 . 2 . . . . 18 ARG QG . 18194 1 171 . 1 1 18 18 ARG HG3 H 1 1.382 0.01 . 2 . . . . 18 ARG QG . 18194 1 172 . 1 1 18 18 ARG HD2 H 1 3.183 0.01 . 2 . . . . 18 ARG QD . 18194 1 173 . 1 1 18 18 ARG HD3 H 1 3.183 0.01 . 2 . . . . 18 ARG QD . 18194 1 174 . 1 1 18 18 ARG C C 13 176.030 0.1 . 1 . . . . 18 ARG C . 18194 1 175 . 1 1 18 18 ARG CA C 13 55.290 0.1 . 1 . . . . 18 ARG CA . 18194 1 176 . 1 1 18 18 ARG CB C 13 32.260 0.1 . 1 . . . . 18 ARG CB . 18194 1 177 . 1 1 18 18 ARG CG C 13 28.368 0.1 . 1 . . . . 18 ARG CG . 18194 1 178 . 1 1 18 18 ARG CD C 13 43.712 0.1 . 1 . . . . 18 ARG CD . 18194 1 179 . 1 1 18 18 ARG N N 15 121.426 0.1 . 1 . . . . 18 ARG N . 18194 1 180 . 1 1 19 19 VAL H H 1 9.146 0.01 . 1 . . . . 19 VAL H . 18194 1 181 . 1 1 19 19 VAL HA H 1 5.151 0.01 . 1 . . . . 19 VAL HA . 18194 1 182 . 1 1 19 19 VAL HB H 1 1.937 0.01 . 1 . . . . 19 VAL HB . 18194 1 183 . 1 1 19 19 VAL HG11 H 1 0.665 0.01 . 2 . . . . 19 VAL QG1 . 18194 1 184 . 1 1 19 19 VAL HG12 H 1 0.665 0.01 . 2 . . . . 19 VAL QG1 . 18194 1 185 . 1 1 19 19 VAL HG13 H 1 0.665 0.01 . 2 . . . . 19 VAL QG1 . 18194 1 186 . 1 1 19 19 VAL HG21 H 1 0.693 0.01 . 2 . . . . 19 VAL QG2 . 18194 1 187 . 1 1 19 19 VAL HG22 H 1 0.693 0.01 . 2 . . . . 19 VAL QG2 . 18194 1 188 . 1 1 19 19 VAL HG23 H 1 0.693 0.01 . 2 . . . . 19 VAL QG2 . 18194 1 189 . 1 1 19 19 VAL C C 13 174.098 0.1 . 1 . . . . 19 VAL C . 18194 1 190 . 1 1 19 19 VAL CA C 13 58.198 0.1 . 1 . . . . 19 VAL CA . 18194 1 191 . 1 1 19 19 VAL CB C 13 35.730 0.1 . 1 . . . . 19 VAL CB . 18194 1 192 . 1 1 19 19 VAL CG1 C 13 19.324 0.1 . 2 . . . . 19 VAL CG1 . 18194 1 193 . 1 1 19 19 VAL CG2 C 13 21.774 0.1 . 2 . . . . 19 VAL CG2 . 18194 1 194 . 1 1 19 19 VAL N N 15 117.028 0.1 . 1 . . . . 19 VAL N . 18194 1 195 . 1 1 20 20 VAL H H 1 9.028 0.01 . 1 . . . . 20 VAL H . 18194 1 196 . 1 1 20 20 VAL HA H 1 4.287 0.01 . 1 . . . . 20 VAL HA . 18194 1 197 . 1 1 20 20 VAL HB H 1 1.935 0.01 . 1 . . . . 20 VAL HB . 18194 1 198 . 1 1 20 20 VAL HG11 H 1 0.802 0.01 . 2 . . . . 20 VAL QG1 . 18194 1 199 . 1 1 20 20 VAL HG12 H 1 0.802 0.01 . 2 . . . . 20 VAL QG1 . 18194 1 200 . 1 1 20 20 VAL HG13 H 1 0.802 0.01 . 2 . . . . 20 VAL QG1 . 18194 1 201 . 1 1 20 20 VAL HG21 H 1 0.905 0.01 . 2 . . . . 20 VAL QG2 . 18194 1 202 . 1 1 20 20 VAL HG22 H 1 0.905 0.01 . 2 . . . . 20 VAL QG2 . 18194 1 203 . 1 1 20 20 VAL HG23 H 1 0.905 0.01 . 2 . . . . 20 VAL QG2 . 18194 1 204 . 1 1 20 20 VAL C C 13 174.804 0.1 . 1 . . . . 20 VAL C . 18194 1 205 . 1 1 20 20 VAL CA C 13 62.158 0.1 . 1 . . . . 20 VAL CA . 18194 1 206 . 1 1 20 20 VAL CB C 13 32.526 0.1 . 1 . . . . 20 VAL CB . 18194 1 207 . 1 1 20 20 VAL CG1 C 13 20.618 0.1 . 2 . . . . 20 VAL CG1 . 18194 1 208 . 1 1 20 20 VAL CG2 C 13 21.292 0.1 . 2 . . . . 20 VAL CG2 . 18194 1 209 . 1 1 20 20 VAL N N 15 121.628 0.1 . 1 . . . . 20 VAL N . 18194 1 210 . 1 1 21 21 TYR H H 1 8.487 0.01 . 1 . . . . 21 TYR H . 18194 1 211 . 1 1 21 21 TYR HA H 1 4.973 0.01 . 1 . . . . 21 TYR HA . 18194 1 212 . 1 1 21 21 TYR HB2 H 1 2.607 0.01 . 2 . . . . 21 TYR HB2 . 18194 1 213 . 1 1 21 21 TYR HB3 H 1 3.232 0.01 . 2 . . . . 21 TYR HB3 . 18194 1 214 . 1 1 21 21 TYR HD1 H 1 6.902 0.01 . 3 . . . . 21 TYR QD . 18194 1 215 . 1 1 21 21 TYR HD2 H 1 6.902 0.01 . 3 . . . . 21 TYR QD . 18194 1 216 . 1 1 21 21 TYR HE1 H 1 6.672 0.01 . 3 . . . . 21 TYR QE . 18194 1 217 . 1 1 21 21 TYR HE2 H 1 6.672 0.01 . 3 . . . . 21 TYR QE . 18194 1 218 . 1 1 21 21 TYR CA C 13 54.059 0.1 . 1 . . . . 21 TYR CA . 18194 1 219 . 1 1 21 21 TYR CB C 13 41.433 0.1 . 1 . . . . 21 TYR CB . 18194 1 220 . 1 1 21 21 TYR N N 15 131.627 0.1 . 1 . . . . 21 TYR N . 18194 1 221 . 1 1 22 22 PRO HA H 1 4.172 0.01 . 1 . . . . 22 PRO HA . 18194 1 222 . 1 1 22 22 PRO HB2 H 1 1.779 0.01 . 2 . . . . 22 PRO HB2 . 18194 1 223 . 1 1 22 22 PRO HB3 H 1 2.227 0.01 . 2 . . . . 22 PRO HB3 . 18194 1 224 . 1 1 22 22 PRO HG2 H 1 1.804 0.01 . 2 . . . . 22 PRO HG2 . 18194 1 225 . 1 1 22 22 PRO HG3 H 1 1.956 0.01 . 2 . . . . 22 PRO HG3 . 18194 1 226 . 1 1 22 22 PRO HD2 H 1 2.605 0.01 . 2 . . . . 22 PRO HD2 . 18194 1 227 . 1 1 22 22 PRO HD3 H 1 3.577 0.01 . 2 . . . . 22 PRO HD3 . 18194 1 228 . 1 1 22 22 PRO CA C 13 64.926 0.1 . 1 . . . . 22 PRO CA . 18194 1 229 . 1 1 22 22 PRO CB C 13 31.650 0.1 . 1 . . . . 22 PRO CB . 18194 1 230 . 1 1 22 22 PRO CG C 13 27.514 0.1 . 1 . . . . 22 PRO CG . 18194 1 231 . 1 1 22 22 PRO CD C 13 51.120 0.1 . 1 . . . . 22 PRO CD . 18194 1 232 . 1 1 23 23 ASN HA H 1 4.334 0.01 . 1 . . . . 23 ASN HA . 18194 1 233 . 1 1 23 23 ASN HB2 H 1 3.032 0.01 . 2 . . . . 23 ASN HB2 . 18194 1 234 . 1 1 23 23 ASN HB3 H 1 3.180 0.01 . 2 . . . . 23 ASN HB3 . 18194 1 235 . 1 1 23 23 ASN HD21 H 1 6.995 0.01 . 2 . . . . 23 ASN HD21 . 18194 1 236 . 1 1 23 23 ASN HD22 H 1 7.523 0.01 . 2 . . . . 23 ASN HD22 . 18194 1 237 . 1 1 23 23 ASN C C 13 174.799 0.1 . 1 . . . . 23 ASN C . 18194 1 238 . 1 1 23 23 ASN CA C 13 55.912 0.1 . 1 . . . . 23 ASN CA . 18194 1 239 . 1 1 23 23 ASN CB C 13 38.226 0.1 . 1 . . . . 23 ASN CB . 18194 1 240 . 1 1 23 23 ASN CG C 13 178.197 0.1 . 1 . . . . 23 ASN CG . 18194 1 241 . 1 1 23 23 ASN ND2 N 15 113.500 0.1 . 1 . . . . 23 ASN ND2 . 18194 1 242 . 1 1 24 24 GLN H H 1 8.403 0.01 . 1 . . . . 24 GLN H . 18194 1 243 . 1 1 24 24 GLN HA H 1 4.648 0.01 . 1 . . . . 24 GLN HA . 18194 1 244 . 1 1 24 24 GLN HB2 H 1 1.594 0.01 . 2 . . . . 24 GLN HB2 . 18194 1 245 . 1 1 24 24 GLN HB3 H 1 2.046 0.01 . 2 . . . . 24 GLN HB3 . 18194 1 246 . 1 1 24 24 GLN HG2 H 1 1.937 0.01 . 2 . . . . 24 GLN HG2 . 18194 1 247 . 1 1 24 24 GLN HG3 H 1 2.227 0.01 . 2 . . . . 24 GLN HG3 . 18194 1 248 . 1 1 24 24 GLN HE21 H 1 6.483 0.01 . 2 . . . . 24 GLN HE21 . 18194 1 249 . 1 1 24 24 GLN HE22 H 1 7.121 0.01 . 2 . . . . 24 GLN HE22 . 18194 1 250 . 1 1 24 24 GLN C C 13 175.879 0.1 . 1 . . . . 24 GLN C . 18194 1 251 . 1 1 24 24 GLN CA C 13 55.564 0.1 . 1 . . . . 24 GLN CA . 18194 1 252 . 1 1 24 24 GLN CB C 13 30.253 0.1 . 1 . . . . 24 GLN CB . 18194 1 253 . 1 1 24 24 GLN CG C 13 32.296 0.1 . 1 . . . . 24 GLN CG . 18194 1 254 . 1 1 24 24 GLN CD C 13 178.293 0.1 . 1 . . . . 24 GLN CD . 18194 1 255 . 1 1 24 24 GLN N N 15 116.432 0.1 . 1 . . . . 24 GLN N . 18194 1 256 . 1 1 24 24 GLN NE2 N 15 109.215 0.1 . 1 . . . . 24 GLN NE2 . 18194 1 257 . 1 1 25 25 GLY H H 1 8.186 0.01 . 1 . . . . 25 GLY H . 18194 1 258 . 1 1 25 25 GLY HA2 H 1 3.835 0.01 . 2 . . . . 25 GLY HA2 . 18194 1 259 . 1 1 25 25 GLY HA3 H 1 4.323 0.01 . 2 . . . . 25 GLY HA3 . 18194 1 260 . 1 1 25 25 GLY C C 13 173.476 0.1 . 1 . . . . 25 GLY C . 18194 1 261 . 1 1 25 25 GLY CA C 13 44.584 0.1 . 1 . . . . 25 GLY CA . 18194 1 262 . 1 1 25 25 GLY N N 15 107.822 0.1 . 1 . . . . 25 GLY N . 18194 1 263 . 1 1 26 26 VAL H H 1 8.628 0.01 . 1 . . . . 26 VAL H . 18194 1 264 . 1 1 26 26 VAL HA H 1 4.619 0.01 . 1 . . . . 26 VAL HA . 18194 1 265 . 1 1 26 26 VAL HB H 1 1.997 0.01 . 1 . . . . 26 VAL HB . 18194 1 266 . 1 1 26 26 VAL HG11 H 1 0.891 0.01 . 2 . . . . 26 VAL QG1 . 18194 1 267 . 1 1 26 26 VAL HG12 H 1 0.891 0.01 . 2 . . . . 26 VAL QG1 . 18194 1 268 . 1 1 26 26 VAL HG13 H 1 0.891 0.01 . 2 . . . . 26 VAL QG1 . 18194 1 269 . 1 1 26 26 VAL HG21 H 1 1.010 0.01 . 2 . . . . 26 VAL QG2 . 18194 1 270 . 1 1 26 26 VAL HG22 H 1 1.010 0.01 . 2 . . . . 26 VAL QG2 . 18194 1 271 . 1 1 26 26 VAL HG23 H 1 1.010 0.01 . 2 . . . . 26 VAL QG2 . 18194 1 272 . 1 1 26 26 VAL C C 13 177.468 0.1 . 1 . . . . 26 VAL C . 18194 1 273 . 1 1 26 26 VAL CA C 13 63.376 0.1 . 1 . . . . 26 VAL CA . 18194 1 274 . 1 1 26 26 VAL CB C 13 31.504 0.1 . 1 . . . . 26 VAL CB . 18194 1 275 . 1 1 26 26 VAL CG1 C 13 22.027 0.1 . 2 . . . . 26 VAL CG1 . 18194 1 276 . 1 1 26 26 VAL CG2 C 13 22.165 0.1 . 2 . . . . 26 VAL CG2 . 18194 1 277 . 1 1 26 26 VAL N N 15 121.492 0.1 . 1 . . . . 26 VAL N . 18194 1 278 . 1 1 27 27 CYS H H 1 9.674 0.01 . 1 . . . . 27 CYS H . 18194 1 279 . 1 1 27 27 CYS HA H 1 5.373 0.01 . 1 . . . . 27 CYS HA . 18194 1 280 . 1 1 27 27 CYS HB2 H 1 2.305 0.01 . 2 . . . . 27 CYS HB2 . 18194 1 281 . 1 1 27 27 CYS HB3 H 1 2.781 0.01 . 2 . . . . 27 CYS HB3 . 18194 1 282 . 1 1 27 27 CYS C C 13 172.549 0.1 . 1 . . . . 27 CYS C . 18194 1 283 . 1 1 27 27 CYS CA C 13 56.970 0.1 . 1 . . . . 27 CYS CA . 18194 1 284 . 1 1 27 27 CYS CB C 13 33.403 0.1 . 1 . . . . 27 CYS CB . 18194 1 285 . 1 1 27 27 CYS N N 15 125.613 0.1 . 1 . . . . 27 CYS N . 18194 1 286 . 1 1 28 28 ARG H H 1 8.917 0.01 . 1 . . . . 28 ARG H . 18194 1 287 . 1 1 28 28 ARG HA H 1 5.357 0.01 . 1 . . . . 28 ARG HA . 18194 1 288 . 1 1 28 28 ARG HB2 H 1 1.738 0.01 . 2 . . . . 28 ARG HB2 . 18194 1 289 . 1 1 28 28 ARG HB3 H 1 1.785 0.01 . 2 . . . . 28 ARG HB3 . 18194 1 290 . 1 1 28 28 ARG HG2 H 1 1.511 0.01 . 2 . . . . 28 ARG QG . 18194 1 291 . 1 1 28 28 ARG HG3 H 1 1.511 0.01 . 2 . . . . 28 ARG QG . 18194 1 292 . 1 1 28 28 ARG HD2 H 1 3.153 0.01 . 2 . . . . 28 ARG HD2 . 18194 1 293 . 1 1 28 28 ARG HD3 H 1 3.182 0.01 . 2 . . . . 28 ARG HD3 . 18194 1 294 . 1 1 28 28 ARG C C 13 176.992 0.1 . 1 . . . . 28 ARG C . 18194 1 295 . 1 1 28 28 ARG CA C 13 53.643 0.1 . 1 . . . . 28 ARG CA . 18194 1 296 . 1 1 28 28 ARG CB C 13 32.864 0.1 . 1 . . . . 28 ARG CB . 18194 1 297 . 1 1 28 28 ARG CG C 13 27.475 0.1 . 1 . . . . 28 ARG CG . 18194 1 298 . 1 1 28 28 ARG CD C 13 43.278 0.1 . 1 . . . . 28 ARG CD . 18194 1 299 . 1 1 28 28 ARG N N 15 120.761 0.1 . 1 . . . . 28 ARG N . 18194 1 300 . 1 1 29 29 VAL H H 1 9.205 0.01 . 1 . . . . 29 VAL H . 18194 1 301 . 1 1 29 29 VAL HA H 1 3.959 0.01 . 1 . . . . 29 VAL HA . 18194 1 302 . 1 1 29 29 VAL HB H 1 2.410 0.01 . 1 . . . . 29 VAL HB . 18194 1 303 . 1 1 29 29 VAL HG11 H 1 0.792 0.01 . 2 . . . . 29 VAL QG1 . 18194 1 304 . 1 1 29 29 VAL HG12 H 1 0.792 0.01 . 2 . . . . 29 VAL QG1 . 18194 1 305 . 1 1 29 29 VAL HG13 H 1 0.792 0.01 . 2 . . . . 29 VAL QG1 . 18194 1 306 . 1 1 29 29 VAL HG21 H 1 0.925 0.01 . 2 . . . . 29 VAL QG2 . 18194 1 307 . 1 1 29 29 VAL HG22 H 1 0.925 0.01 . 2 . . . . 29 VAL QG2 . 18194 1 308 . 1 1 29 29 VAL HG23 H 1 0.925 0.01 . 2 . . . . 29 VAL QG2 . 18194 1 309 . 1 1 29 29 VAL C C 13 176.098 0.1 . 1 . . . . 29 VAL C . 18194 1 310 . 1 1 29 29 VAL CA C 13 64.300 0.1 . 1 . . . . 29 VAL CA . 18194 1 311 . 1 1 29 29 VAL CB C 13 31.193 0.1 . 1 . . . . 29 VAL CB . 18194 1 312 . 1 1 29 29 VAL CG1 C 13 22.016 0.1 . 2 . . . . 29 VAL CG1 . 18194 1 313 . 1 1 29 29 VAL CG2 C 13 22.023 0.1 . 2 . . . . 29 VAL CG2 . 18194 1 314 . 1 1 29 29 VAL N N 15 126.114 0.1 . 1 . . . . 29 VAL N . 18194 1 315 . 1 1 30 30 SER H H 1 9.690 0.01 . 1 . . . . 30 SER H . 18194 1 316 . 1 1 30 30 SER HA H 1 4.656 0.01 . 1 . . . . 30 SER HA . 18194 1 317 . 1 1 30 30 SER HB2 H 1 3.615 0.01 . 2 . . . . 30 SER HB2 . 18194 1 318 . 1 1 30 30 SER HB3 H 1 3.812 0.01 . 2 . . . . 30 SER HB3 . 18194 1 319 . 1 1 30 30 SER C C 13 174.250 0.1 . 1 . . . . 30 SER C . 18194 1 320 . 1 1 30 30 SER CA C 13 59.249 0.1 . 1 . . . . 30 SER CA . 18194 1 321 . 1 1 30 30 SER CB C 13 64.954 0.1 . 1 . . . . 30 SER CB . 18194 1 322 . 1 1 30 30 SER N N 15 127.526 0.1 . 1 . . . . 30 SER N . 18194 1 323 . 1 1 31 31 ALA H H 1 7.983 0.01 . 1 . . . . 31 ALA H . 18194 1 324 . 1 1 31 31 ALA HA H 1 4.457 0.01 . 1 . . . . 31 ALA HA . 18194 1 325 . 1 1 31 31 ALA HB1 H 1 1.413 0.01 . 1 . . . . 31 ALA QB . 18194 1 326 . 1 1 31 31 ALA HB2 H 1 1.413 0.01 . 1 . . . . 31 ALA QB . 18194 1 327 . 1 1 31 31 ALA HB3 H 1 1.413 0.01 . 1 . . . . 31 ALA QB . 18194 1 328 . 1 1 31 31 ALA C C 13 174.445 0.1 . 1 . . . . 31 ALA C . 18194 1 329 . 1 1 31 31 ALA CA C 13 53.115 0.1 . 1 . . . . 31 ALA CA . 18194 1 330 . 1 1 31 31 ALA CB C 13 21.852 0.1 . 1 . . . . 31 ALA CB . 18194 1 331 . 1 1 31 31 ALA N N 15 123.130 0.1 . 1 . . . . 31 ALA N . 18194 1 332 . 1 1 32 32 ILE H H 1 8.376 0.01 . 1 . . . . 32 ILE H . 18194 1 333 . 1 1 32 32 ILE HA H 1 4.681 0.01 . 1 . . . . 32 ILE HA . 18194 1 334 . 1 1 32 32 ILE HB H 1 1.672 0.01 . 1 . . . . 32 ILE HB . 18194 1 335 . 1 1 32 32 ILE HG12 H 1 0.963 0.01 . 2 . . . . 32 ILE HG12 . 18194 1 336 . 1 1 32 32 ILE HG13 H 1 1.405 0.01 . 2 . . . . 32 ILE HG13 . 18194 1 337 . 1 1 32 32 ILE HG21 H 1 0.761 0.01 . 1 . . . . 32 ILE QG2 . 18194 1 338 . 1 1 32 32 ILE HG22 H 1 0.761 0.01 . 1 . . . . 32 ILE QG2 . 18194 1 339 . 1 1 32 32 ILE HG23 H 1 0.761 0.01 . 1 . . . . 32 ILE QG2 . 18194 1 340 . 1 1 32 32 ILE HD11 H 1 0.755 0.01 . 1 . . . . 32 ILE QD1 . 18194 1 341 . 1 1 32 32 ILE HD12 H 1 0.755 0.01 . 1 . . . . 32 ILE QD1 . 18194 1 342 . 1 1 32 32 ILE HD13 H 1 0.755 0.01 . 1 . . . . 32 ILE QD1 . 18194 1 343 . 1 1 32 32 ILE C C 13 174.714 0.1 . 1 . . . . 32 ILE C . 18194 1 344 . 1 1 32 32 ILE CA C 13 61.613 0.1 . 1 . . . . 32 ILE CA . 18194 1 345 . 1 1 32 32 ILE CB C 13 40.352 0.1 . 1 . . . . 32 ILE CB . 18194 1 346 . 1 1 32 32 ILE CG1 C 13 28.133 0.1 . 1 . . . . 32 ILE CG1 . 18194 1 347 . 1 1 32 32 ILE CG2 C 13 17.528 0.1 . 1 . . . . 32 ILE CG2 . 18194 1 348 . 1 1 32 32 ILE CD1 C 13 13.736 0.1 . 1 . . . . 32 ILE CD1 . 18194 1 349 . 1 1 32 32 ILE N N 15 121.431 0.1 . 1 . . . . 32 ILE N . 18194 1 350 . 1 1 33 33 ASP H H 1 8.738 0.01 . 1 . . . . 33 ASP H . 18194 1 351 . 1 1 33 33 ASP HA H 1 5.138 0.01 . 1 . . . . 33 ASP HA . 18194 1 352 . 1 1 33 33 ASP HB2 H 1 2.472 0.01 . 2 . . . . 33 ASP HB2 . 18194 1 353 . 1 1 33 33 ASP HB3 H 1 2.621 0.01 . 2 . . . . 33 ASP HB3 . 18194 1 354 . 1 1 33 33 ASP C C 13 174.048 0.1 . 1 . . . . 33 ASP C . 18194 1 355 . 1 1 33 33 ASP CA C 13 53.207 0.1 . 1 . . . . 33 ASP CA . 18194 1 356 . 1 1 33 33 ASP CB C 13 45.180 0.1 . 1 . . . . 33 ASP CB . 18194 1 357 . 1 1 33 33 ASP N N 15 125.348 0.1 . 1 . . . . 33 ASP N . 18194 1 358 . 1 1 34 34 VAL H H 1 8.632 0.01 . 1 . . . . 34 VAL H . 18194 1 359 . 1 1 34 34 VAL HA H 1 4.875 0.01 . 1 . . . . 34 VAL HA . 18194 1 360 . 1 1 34 34 VAL HB H 1 1.939 0.01 . 1 . . . . 34 VAL HB . 18194 1 361 . 1 1 34 34 VAL HG11 H 1 0.826 0.01 . 2 . . . . 34 VAL QG1 . 18194 1 362 . 1 1 34 34 VAL HG12 H 1 0.826 0.01 . 2 . . . . 34 VAL QG1 . 18194 1 363 . 1 1 34 34 VAL HG13 H 1 0.826 0.01 . 2 . . . . 34 VAL QG1 . 18194 1 364 . 1 1 34 34 VAL HG21 H 1 0.963 0.01 . 2 . . . . 34 VAL QG2 . 18194 1 365 . 1 1 34 34 VAL HG22 H 1 0.963 0.01 . 2 . . . . 34 VAL QG2 . 18194 1 366 . 1 1 34 34 VAL HG23 H 1 0.963 0.01 . 2 . . . . 34 VAL QG2 . 18194 1 367 . 1 1 34 34 VAL C C 13 176.228 0.1 . 1 . . . . 34 VAL C . 18194 1 368 . 1 1 34 34 VAL CA C 13 61.822 0.1 . 1 . . . . 34 VAL CA . 18194 1 369 . 1 1 34 34 VAL CB C 13 32.787 0.1 . 1 . . . . 34 VAL CB . 18194 1 370 . 1 1 34 34 VAL CG1 C 13 21.269 0.1 . 2 . . . . 34 VAL CG1 . 18194 1 371 . 1 1 34 34 VAL CG2 C 13 20.945 0.1 . 2 . . . . 34 VAL CG2 . 18194 1 372 . 1 1 34 34 VAL N N 15 121.794 0.1 . 1 . . . . 34 VAL N . 18194 1 373 . 1 1 35 35 LYS H H 1 9.277 0.01 . 1 . . . . 35 LYS H . 18194 1 374 . 1 1 35 35 LYS HA H 1 4.692 0.01 . 1 . . . . 35 LYS HA . 18194 1 375 . 1 1 35 35 LYS HB2 H 1 1.650 0.01 . 2 . . . . 35 LYS HB2 . 18194 1 376 . 1 1 35 35 LYS HB3 H 1 1.752 0.01 . 2 . . . . 35 LYS HB3 . 18194 1 377 . 1 1 35 35 LYS HG2 H 1 1.253 0.01 . 2 . . . . 35 LYS HG2 . 18194 1 378 . 1 1 35 35 LYS HG3 H 1 1.302 0.01 . 2 . . . . 35 LYS HG3 . 18194 1 379 . 1 1 35 35 LYS HD2 H 1 1.256 0.01 . 2 . . . . 35 LYS HD2 . 18194 1 380 . 1 1 35 35 LYS HD3 H 1 1.391 0.01 . 2 . . . . 35 LYS HD3 . 18194 1 381 . 1 1 35 35 LYS HE2 H 1 2.618 0.01 . 2 . . . . 35 LYS HE2 . 18194 1 382 . 1 1 35 35 LYS HE3 H 1 2.675 0.01 . 2 . . . . 35 LYS HE3 . 18194 1 383 . 1 1 35 35 LYS C C 13 174.355 0.1 . 1 . . . . 35 LYS C . 18194 1 384 . 1 1 35 35 LYS CA C 13 54.373 0.1 . 1 . . . . 35 LYS CA . 18194 1 385 . 1 1 35 35 LYS CB C 13 36.081 0.1 . 1 . . . . 35 LYS CB . 18194 1 386 . 1 1 35 35 LYS CG C 13 24.712 0.1 . 1 . . . . 35 LYS CG . 18194 1 387 . 1 1 35 35 LYS CD C 13 28.614 0.1 . 1 . . . . 35 LYS CD . 18194 1 388 . 1 1 35 35 LYS CE C 13 41.816 0.1 . 1 . . . . 35 LYS CE . 18194 1 389 . 1 1 35 35 LYS N N 15 127.450 0.1 . 1 . . . . 35 LYS N . 18194 1 390 . 1 1 36 36 GLU H H 1 8.546 0.01 . 1 . . . . 36 GLU H . 18194 1 391 . 1 1 36 36 GLU HA H 1 5.031 0.01 . 1 . . . . 36 GLU HA . 18194 1 392 . 1 1 36 36 GLU HB2 H 1 1.809 0.01 . 2 . . . . 36 GLU HB2 . 18194 1 393 . 1 1 36 36 GLU HB3 H 1 1.940 0.01 . 2 . . . . 36 GLU HB3 . 18194 1 394 . 1 1 36 36 GLU HG2 H 1 1.928 0.01 . 2 . . . . 36 GLU HG2 . 18194 1 395 . 1 1 36 36 GLU HG3 H 1 2.007 0.01 . 2 . . . . 36 GLU HG3 . 18194 1 396 . 1 1 36 36 GLU C C 13 176.176 0.1 . 1 . . . . 36 GLU C . 18194 1 397 . 1 1 36 36 GLU CA C 13 55.411 0.1 . 1 . . . . 36 GLU CA . 18194 1 398 . 1 1 36 36 GLU CB C 13 30.614 0.1 . 1 . . . . 36 GLU CB . 18194 1 399 . 1 1 36 36 GLU CG C 13 36.783 0.1 . 1 . . . . 36 GLU CG . 18194 1 400 . 1 1 36 36 GLU N N 15 122.715 0.1 . 1 . . . . 36 GLU N . 18194 1 401 . 1 1 37 37 VAL H H 1 8.965 0.01 . 1 . . . . 37 VAL H . 18194 1 402 . 1 1 37 37 VAL HA H 1 4.214 0.01 . 1 . . . . 37 VAL HA . 18194 1 403 . 1 1 37 37 VAL HB H 1 2.033 0.01 . 1 . . . . 37 VAL HB . 18194 1 404 . 1 1 37 37 VAL HG11 H 1 0.955 0.01 . 2 . . . . 37 VAL QG1 . 18194 1 405 . 1 1 37 37 VAL HG12 H 1 0.955 0.01 . 2 . . . . 37 VAL QG1 . 18194 1 406 . 1 1 37 37 VAL HG13 H 1 0.955 0.01 . 2 . . . . 37 VAL QG1 . 18194 1 407 . 1 1 37 37 VAL HG21 H 1 0.955 0.01 . 2 . . . . 37 VAL QG2 . 18194 1 408 . 1 1 37 37 VAL HG22 H 1 0.955 0.01 . 2 . . . . 37 VAL QG2 . 18194 1 409 . 1 1 37 37 VAL HG23 H 1 0.955 0.01 . 2 . . . . 37 VAL QG2 . 18194 1 410 . 1 1 37 37 VAL CA C 13 61.765 0.1 . 1 . . . . 37 VAL CA . 18194 1 411 . 1 1 37 37 VAL CB C 13 34.402 0.1 . 1 . . . . 37 VAL CB . 18194 1 412 . 1 1 37 37 VAL CG2 C 13 20.493 0.1 . 2 . . . . 37 VAL CG2 . 18194 1 413 . 1 1 37 37 VAL N N 15 127.225 0.1 . 1 . . . . 37 VAL N . 18194 1 414 . 1 1 38 38 ALA H H 1 9.408 0.01 . 1 . . . . 38 ALA H . 18194 1 415 . 1 1 38 38 ALA HA H 1 4.047 0.01 . 1 . . . . 38 ALA HA . 18194 1 416 . 1 1 38 38 ALA HB1 H 1 1.433 0.01 . 1 . . . . 38 ALA QB . 18194 1 417 . 1 1 38 38 ALA HB2 H 1 1.433 0.01 . 1 . . . . 38 ALA QB . 18194 1 418 . 1 1 38 38 ALA HB3 H 1 1.433 0.01 . 1 . . . . 38 ALA QB . 18194 1 419 . 1 1 38 38 ALA C C 13 177.380 0.1 . 1 . . . . 38 ALA C . 18194 1 420 . 1 1 38 38 ALA CA C 13 52.974 0.1 . 1 . . . . 38 ALA CA . 18194 1 421 . 1 1 38 38 ALA CB C 13 17.152 0.1 . 1 . . . . 38 ALA CB . 18194 1 422 . 1 1 38 38 ALA N N 15 120.527 0.1 . 1 . . . . 38 ALA N . 18194 1 423 . 1 1 39 39 GLY H H 1 8.638 0.01 . 1 . . . . 39 GLY H . 18194 1 424 . 1 1 39 39 GLY HA2 H 1 3.670 0.01 . 2 . . . . 39 GLY HA2 . 18194 1 425 . 1 1 39 39 GLY HA3 H 1 4.159 0.01 . 2 . . . . 39 GLY HA3 . 18194 1 426 . 1 1 39 39 GLY C C 13 173.945 0.1 . 1 . . . . 39 GLY C . 18194 1 427 . 1 1 39 39 GLY CA C 13 45.386 0.1 . 1 . . . . 39 GLY CA . 18194 1 428 . 1 1 39 39 GLY N N 15 103.890 0.1 . 1 . . . . 39 GLY N . 18194 1 429 . 1 1 40 40 GLN H H 1 7.942 0.01 . 1 . . . . 40 GLN H . 18194 1 430 . 1 1 40 40 GLN HA H 1 4.651 0.01 . 1 . . . . 40 GLN HA . 18194 1 431 . 1 1 40 40 GLN HB2 H 1 2.025 0.01 . 2 . . . . 40 GLN HB2 . 18194 1 432 . 1 1 40 40 GLN HB3 H 1 2.104 0.01 . 2 . . . . 40 GLN HB3 . 18194 1 433 . 1 1 40 40 GLN HG2 H 1 2.302 0.01 . 2 . . . . 40 GLN HG2 . 18194 1 434 . 1 1 40 40 GLN HG3 H 1 2.354 0.01 . 2 . . . . 40 GLN HG3 . 18194 1 435 . 1 1 40 40 GLN HE21 H 1 6.886 0.01 . 2 . . . . 40 GLN HE21 . 18194 1 436 . 1 1 40 40 GLN HE22 H 1 7.588 0.01 . 2 . . . . 40 GLN HE22 . 18194 1 437 . 1 1 40 40 GLN C C 13 174.471 0.1 . 1 . . . . 40 GLN C . 18194 1 438 . 1 1 40 40 GLN CA C 13 53.822 0.1 . 1 . . . . 40 GLN CA . 18194 1 439 . 1 1 40 40 GLN CB C 13 31.315 0.1 . 1 . . . . 40 GLN CB . 18194 1 440 . 1 1 40 40 GLN CG C 13 33.576 0.1 . 1 . . . . 40 GLN CG . 18194 1 441 . 1 1 40 40 GLN CD C 13 180.562 0.1 . 1 . . . . 40 GLN CD . 18194 1 442 . 1 1 40 40 GLN N N 15 119.767 0.1 . 1 . . . . 40 GLN N . 18194 1 443 . 1 1 40 40 GLN NE2 N 15 112.284 0.1 . 1 . . . . 40 GLN NE2 . 18194 1 444 . 1 1 41 41 LYS H H 1 8.630 0.01 . 1 . . . . 41 LYS H . 18194 1 445 . 1 1 41 41 LYS HA H 1 4.673 0.01 . 1 . . . . 41 LYS HA . 18194 1 446 . 1 1 41 41 LYS HB2 H 1 1.582 0.01 . 2 . . . . 41 LYS HB2 . 18194 1 447 . 1 1 41 41 LYS HB3 H 1 1.750 0.01 . 2 . . . . 41 LYS HB3 . 18194 1 448 . 1 1 41 41 LYS HG2 H 1 1.221 0.01 . 2 . . . . 41 LYS HG2 . 18194 1 449 . 1 1 41 41 LYS HG3 H 1 1.443 0.01 . 2 . . . . 41 LYS HG3 . 18194 1 450 . 1 1 41 41 LYS HD2 H 1 1.599 0.01 . 2 . . . . 41 LYS QD . 18194 1 451 . 1 1 41 41 LYS HD3 H 1 1.599 0.01 . 2 . . . . 41 LYS QD . 18194 1 452 . 1 1 41 41 LYS HE2 H 1 2.930 0.01 . 2 . . . . 41 LYS QE . 18194 1 453 . 1 1 41 41 LYS HE3 H 1 2.930 0.01 . 2 . . . . 41 LYS QE . 18194 1 454 . 1 1 41 41 LYS C C 13 175.673 0.1 . 1 . . . . 41 LYS C . 18194 1 455 . 1 1 41 41 LYS CA C 13 56.211 0.1 . 1 . . . . 41 LYS CA . 18194 1 456 . 1 1 41 41 LYS CB C 13 32.462 0.1 . 1 . . . . 41 LYS CB . 18194 1 457 . 1 1 41 41 LYS CG C 13 25.469 0.1 . 1 . . . . 41 LYS CG . 18194 1 458 . 1 1 41 41 LYS CD C 13 29.075 0.1 . 1 . . . . 41 LYS CD . 18194 1 459 . 1 1 41 41 LYS CE C 13 41.899 0.1 . 1 . . . . 41 LYS CE . 18194 1 460 . 1 1 41 41 LYS N N 15 123.409 0.1 . 1 . . . . 41 LYS N . 18194 1 461 . 1 1 42 42 LEU H H 1 8.943 0.01 . 1 . . . . 42 LEU H . 18194 1 462 . 1 1 42 42 LEU HA H 1 4.686 0.01 . 1 . . . . 42 LEU HA . 18194 1 463 . 1 1 42 42 LEU HB2 H 1 1.373 0.01 . 2 . . . . 42 LEU HB2 . 18194 1 464 . 1 1 42 42 LEU HB3 H 1 1.701 0.01 . 2 . . . . 42 LEU HB3 . 18194 1 465 . 1 1 42 42 LEU HG H 1 1.552 0.01 . 1 . . . . 42 LEU HG . 18194 1 466 . 1 1 42 42 LEU HD11 H 1 0.869 0.01 . 2 . . . . 42 LEU QD1 . 18194 1 467 . 1 1 42 42 LEU HD12 H 1 0.869 0.01 . 2 . . . . 42 LEU QD1 . 18194 1 468 . 1 1 42 42 LEU HD13 H 1 0.869 0.01 . 2 . . . . 42 LEU QD1 . 18194 1 469 . 1 1 42 42 LEU HD21 H 1 0.910 0.01 . 2 . . . . 42 LEU QD2 . 18194 1 470 . 1 1 42 42 LEU HD22 H 1 0.910 0.01 . 2 . . . . 42 LEU QD2 . 18194 1 471 . 1 1 42 42 LEU HD23 H 1 0.910 0.01 . 2 . . . . 42 LEU QD2 . 18194 1 472 . 1 1 42 42 LEU C C 13 175.231 0.1 . 1 . . . . 42 LEU C . 18194 1 473 . 1 1 42 42 LEU CA C 13 54.006 0.1 . 1 . . . . 42 LEU CA . 18194 1 474 . 1 1 42 42 LEU CB C 13 45.762 0.1 . 1 . . . . 42 LEU CB . 18194 1 475 . 1 1 42 42 LEU CG C 13 27.153 0.1 . 1 . . . . 42 LEU CG . 18194 1 476 . 1 1 42 42 LEU CD1 C 13 23.890 0.1 . 2 . . . . 42 LEU CD1 . 18194 1 477 . 1 1 42 42 LEU CD2 C 13 25.436 0.1 . 2 . . . . 42 LEU CD2 . 18194 1 478 . 1 1 42 42 LEU N N 15 127.425 0.1 . 1 . . . . 42 LEU N . 18194 1 479 . 1 1 43 43 THR H H 1 8.442 0.01 . 1 . . . . 43 THR H . 18194 1 480 . 1 1 43 43 THR HA H 1 4.929 0.01 . 1 . . . . 43 THR HA . 18194 1 481 . 1 1 43 43 THR HB H 1 3.896 0.01 . 1 . . . . 43 THR HB . 18194 1 482 . 1 1 43 43 THR HG21 H 1 1.019 0.01 . 1 . . . . 43 THR QG2 . 18194 1 483 . 1 1 43 43 THR HG22 H 1 1.019 0.01 . 1 . . . . 43 THR QG2 . 18194 1 484 . 1 1 43 43 THR HG23 H 1 1.019 0.01 . 1 . . . . 43 THR QG2 . 18194 1 485 . 1 1 43 43 THR C C 13 174.338 0.1 . 1 . . . . 43 THR C . 18194 1 486 . 1 1 43 43 THR CA C 13 62.746 0.1 . 1 . . . . 43 THR CA . 18194 1 487 . 1 1 43 43 THR CB C 13 68.921 0.1 . 1 . . . . 43 THR CB . 18194 1 488 . 1 1 43 43 THR CG2 C 13 22.435 0.1 . 1 . . . . 43 THR CG2 . 18194 1 489 . 1 1 43 43 THR N N 15 118.155 0.1 . 1 . . . . 43 THR N . 18194 1 490 . 1 1 44 44 PHE H H 1 9.705 0.01 . 1 . . . . 44 PHE H . 18194 1 491 . 1 1 44 44 PHE HA H 1 4.799 0.01 . 1 . . . . 44 PHE HA . 18194 1 492 . 1 1 44 44 PHE HB2 H 1 2.729 0.01 . 2 . . . . 44 PHE HB2 . 18194 1 493 . 1 1 44 44 PHE HB3 H 1 2.863 0.01 . 2 . . . . 44 PHE HB3 . 18194 1 494 . 1 1 44 44 PHE HD1 H 1 6.979 0.01 . 3 . . . . 44 PHE QD . 18194 1 495 . 1 1 44 44 PHE HD2 H 1 6.979 0.01 . 3 . . . . 44 PHE QD . 18194 1 496 . 1 1 44 44 PHE HE1 H 1 7.273 0.01 . 3 . . . . 44 PHE QE . 18194 1 497 . 1 1 44 44 PHE HE2 H 1 7.273 0.01 . 3 . . . . 44 PHE QE . 18194 1 498 . 1 1 44 44 PHE HZ H 1 7.301 0.01 . 1 . . . . 44 PHE HZ . 18194 1 499 . 1 1 44 44 PHE C C 13 174.757 0.1 . 1 . . . . 44 PHE C . 18194 1 500 . 1 1 44 44 PHE CA C 13 57.549 0.1 . 1 . . . . 44 PHE CA . 18194 1 501 . 1 1 44 44 PHE CB C 13 42.832 0.1 . 1 . . . . 44 PHE CB . 18194 1 502 . 1 1 44 44 PHE N N 15 127.256 0.1 . 1 . . . . 44 PHE N . 18194 1 503 . 1 1 45 45 VAL H H 1 9.393 0.01 . 1 . . . . 45 VAL H . 18194 1 504 . 1 1 45 45 VAL HA H 1 4.564 0.01 . 1 . . . . 45 VAL HA . 18194 1 505 . 1 1 45 45 VAL HB H 1 2.086 0.01 . 1 . . . . 45 VAL HB . 18194 1 506 . 1 1 45 45 VAL HG11 H 1 0.881 0.01 . 2 . . . . 45 VAL QG1 . 18194 1 507 . 1 1 45 45 VAL HG12 H 1 0.881 0.01 . 2 . . . . 45 VAL QG1 . 18194 1 508 . 1 1 45 45 VAL HG13 H 1 0.881 0.01 . 2 . . . . 45 VAL QG1 . 18194 1 509 . 1 1 45 45 VAL HG21 H 1 0.939 0.01 . 2 . . . . 45 VAL QG2 . 18194 1 510 . 1 1 45 45 VAL HG22 H 1 0.939 0.01 . 2 . . . . 45 VAL QG2 . 18194 1 511 . 1 1 45 45 VAL HG23 H 1 0.939 0.01 . 2 . . . . 45 VAL QG2 . 18194 1 512 . 1 1 45 45 VAL C C 13 174.882 0.1 . 1 . . . . 45 VAL C . 18194 1 513 . 1 1 45 45 VAL CA C 13 61.542 0.1 . 1 . . . . 45 VAL CA . 18194 1 514 . 1 1 45 45 VAL CB C 13 33.239 0.1 . 1 . . . . 45 VAL CB . 18194 1 515 . 1 1 45 45 VAL CG1 C 13 20.862 0.1 . 2 . . . . 45 VAL CG1 . 18194 1 516 . 1 1 45 45 VAL CG2 C 13 22.163 0.1 . 2 . . . . 45 VAL CG2 . 18194 1 517 . 1 1 45 45 VAL N N 15 124.913 0.1 . 1 . . . . 45 VAL N . 18194 1 518 . 1 1 46 46 THR H H 1 9.200 0.01 . 1 . . . . 46 THR H . 18194 1 519 . 1 1 46 46 THR HA H 1 4.922 0.01 . 1 . . . . 46 THR HA . 18194 1 520 . 1 1 46 46 THR HB H 1 3.986 0.01 . 1 . . . . 46 THR HB . 18194 1 521 . 1 1 46 46 THR HG21 H 1 1.098 0.01 . 1 . . . . 46 THR QG2 . 18194 1 522 . 1 1 46 46 THR HG22 H 1 1.098 0.01 . 1 . . . . 46 THR QG2 . 18194 1 523 . 1 1 46 46 THR HG23 H 1 1.098 0.01 . 1 . . . . 46 THR QG2 . 18194 1 524 . 1 1 46 46 THR C C 13 174.029 0.1 . 1 . . . . 46 THR C . 18194 1 525 . 1 1 46 46 THR CA C 13 62.867 0.1 . 1 . . . . 46 THR CA . 18194 1 526 . 1 1 46 46 THR CB C 13 68.769 0.1 . 1 . . . . 46 THR CB . 18194 1 527 . 1 1 46 46 THR CG2 C 13 21.790 0.1 . 1 . . . . 46 THR CG2 . 18194 1 528 . 1 1 46 46 THR N N 15 124.694 0.1 . 1 . . . . 46 THR N . 18194 1 529 . 1 1 47 47 MET H H 1 9.545 0.01 . 1 . . . . 47 MET H . 18194 1 530 . 1 1 47 47 MET HA H 1 5.291 0.01 . 1 . . . . 47 MET HA . 18194 1 531 . 1 1 47 47 MET HB2 H 1 1.624 0.01 . 2 . . . . 47 MET HB2 . 18194 1 532 . 1 1 47 47 MET HB3 H 1 1.885 0.01 . 2 . . . . 47 MET HB3 . 18194 1 533 . 1 1 47 47 MET HG2 H 1 2.261 0.01 . 2 . . . . 47 MET QG . 18194 1 534 . 1 1 47 47 MET HG3 H 1 2.261 0.01 . 2 . . . . 47 MET QG . 18194 1 535 . 1 1 47 47 MET C C 13 173.412 0.1 . 1 . . . . 47 MET C . 18194 1 536 . 1 1 47 47 MET CA C 13 53.541 0.1 . 1 . . . . 47 MET CA . 18194 1 537 . 1 1 47 47 MET CB C 13 37.062 0.1 . 1 . . . . 47 MET CB . 18194 1 538 . 1 1 47 47 MET CG C 13 32.543 0.1 . 1 . . . . 47 MET CG . 18194 1 539 . 1 1 47 47 MET N N 15 126.319 0.1 . 1 . . . . 47 MET N . 18194 1 540 . 1 1 48 48 ARG H H 1 8.901 0.01 . 1 . . . . 48 ARG H . 18194 1 541 . 1 1 48 48 ARG HA H 1 5.200 0.01 . 1 . . . . 48 ARG HA . 18194 1 542 . 1 1 48 48 ARG HB2 H 1 1.593 0.01 . 2 . . . . 48 ARG QB . 18194 1 543 . 1 1 48 48 ARG HB3 H 1 1.593 0.01 . 2 . . . . 48 ARG QB . 18194 1 544 . 1 1 48 48 ARG HG2 H 1 1.394 0.01 . 2 . . . . 48 ARG HG2 . 18194 1 545 . 1 1 48 48 ARG HG3 H 1 1.525 0.01 . 2 . . . . 48 ARG HG3 . 18194 1 546 . 1 1 48 48 ARG HD2 H 1 3.117 0.01 . 2 . . . . 48 ARG HD2 . 18194 1 547 . 1 1 48 48 ARG HD3 H 1 3.163 0.01 . 2 . . . . 48 ARG HD3 . 18194 1 548 . 1 1 48 48 ARG C C 13 177.250 0.1 . 1 . . . . 48 ARG C . 18194 1 549 . 1 1 48 48 ARG CA C 13 53.608 0.1 . 1 . . . . 48 ARG CA . 18194 1 550 . 1 1 48 48 ARG CB C 13 32.664 0.1 . 1 . . . . 48 ARG CB . 18194 1 551 . 1 1 48 48 ARG CG C 13 27.528 0.1 . 1 . . . . 48 ARG CG . 18194 1 552 . 1 1 48 48 ARG CD C 13 43.186 0.1 . 1 . . . . 48 ARG CD . 18194 1 553 . 1 1 48 48 ARG N N 15 119.647 0.1 . 1 . . . . 48 ARG N . 18194 1 554 . 1 1 49 49 ARG H H 1 9.585 0.01 . 1 . . . . 49 ARG H . 18194 1 555 . 1 1 49 49 ARG HA H 1 4.724 0.01 . 1 . . . . 49 ARG HA . 18194 1 556 . 1 1 49 49 ARG HB2 H 1 2.041 0.01 . 2 . . . . 49 ARG HB2 . 18194 1 557 . 1 1 49 49 ARG HB3 H 1 2.267 0.01 . 2 . . . . 49 ARG HB3 . 18194 1 558 . 1 1 49 49 ARG HG2 H 1 1.808 0.01 . 2 . . . . 49 ARG QG . 18194 1 559 . 1 1 49 49 ARG HG3 H 1 1.808 0.01 . 2 . . . . 49 ARG QG . 18194 1 560 . 1 1 49 49 ARG HD2 H 1 3.355 0.01 . 2 . . . . 49 ARG HD2 . 18194 1 561 . 1 1 49 49 ARG HD3 H 1 3.479 0.01 . 2 . . . . 49 ARG HD3 . 18194 1 562 . 1 1 49 49 ARG HE H 1 8.109 0.01 . 1 . . . . 49 ARG HE . 18194 1 563 . 1 1 49 49 ARG C C 13 178.112 0.1 . 1 . . . . 49 ARG C . 18194 1 564 . 1 1 49 49 ARG CA C 13 57.627 0.1 . 1 . . . . 49 ARG CA . 18194 1 565 . 1 1 49 49 ARG CB C 13 31.259 0.1 . 1 . . . . 49 ARG CB . 18194 1 566 . 1 1 49 49 ARG CG C 13 27.691 0.1 . 1 . . . . 49 ARG CG . 18194 1 567 . 1 1 49 49 ARG CD C 13 44.149 0.1 . 1 . . . . 49 ARG CD . 18194 1 568 . 1 1 49 49 ARG CZ C 13 159.90 0.1 . 1 . . . . 49 ARG CZ . 18194 1 569 . 1 1 49 49 ARG N N 15 128.867 0.1 . 1 . . . . 49 ARG N . 18194 1 570 . 1 1 49 49 ARG NE N 15 84.73 0.1 . 1 . . . . 49 ARG NE . 18194 1 571 . 1 1 50 50 GLU H H 1 8.936 0.01 . 1 . . . . 50 GLU H . 18194 1 572 . 1 1 50 50 GLU HA H 1 4.072 0.01 . 1 . . . . 50 GLU HA . 18194 1 573 . 1 1 50 50 GLU HB2 H 1 1.950 0.01 . 2 . . . . 50 GLU HB2 . 18194 1 574 . 1 1 50 50 GLU HB3 H 1 2.026 0.01 . 2 . . . . 50 GLU HB3 . 18194 1 575 . 1 1 50 50 GLU HG2 H 1 2.174 0.01 . 2 . . . . 50 GLU QG . 18194 1 576 . 1 1 50 50 GLU HG3 H 1 2.174 0.01 . 2 . . . . 50 GLU QG . 18194 1 577 . 1 1 50 50 GLU C C 13 179.337 0.1 . 1 . . . . 50 GLU C . 18194 1 578 . 1 1 50 50 GLU CA C 13 59.693 0.1 . 1 . . . . 50 GLU CA . 18194 1 579 . 1 1 50 50 GLU CB C 13 29.586 0.1 . 1 . . . . 50 GLU CB . 18194 1 580 . 1 1 50 50 GLU N N 15 125.739 0.1 . 1 . . . . 50 GLU N . 18194 1 581 . 1 1 51 51 GLU H H 1 8.848 0.01 . 1 . . . . 51 GLU H . 18194 1 582 . 1 1 51 51 GLU HA H 1 4.048 0.01 . 1 . . . . 51 GLU HA . 18194 1 583 . 1 1 51 51 GLU HB2 H 1 1.806 0.01 . 2 . . . . 51 GLU HB2 . 18194 1 584 . 1 1 51 51 GLU HB3 H 1 2.126 0.01 . 2 . . . . 51 GLU HB3 . 18194 1 585 . 1 1 51 51 GLU HG2 H 1 2.218 0.01 . 2 . . . . 51 GLU HG2 . 18194 1 586 . 1 1 51 51 GLU HG3 H 1 2.303 0.01 . 2 . . . . 51 GLU HG3 . 18194 1 587 . 1 1 51 51 GLU C C 13 177.189 0.1 . 1 . . . . 51 GLU C . 18194 1 588 . 1 1 51 51 GLU CA C 13 59.779 0.1 . 1 . . . . 51 GLU CA . 18194 1 589 . 1 1 51 51 GLU CB C 13 29.955 0.1 . 1 . . . . 51 GLU CB . 18194 1 590 . 1 1 51 51 GLU CG C 13 35.980 0.1 . 1 . . . . 51 GLU CG . 18194 1 591 . 1 1 51 51 GLU N N 15 117.118 0.1 . 1 . . . . 51 GLU N . 18194 1 592 . 1 1 52 52 ASP H H 1 7.070 0.01 . 1 . . . . 52 ASP H . 18194 1 593 . 1 1 52 52 ASP HA H 1 4.798 0.01 . 1 . . . . 52 ASP HA . 18194 1 594 . 1 1 52 52 ASP HB2 H 1 2.531 0.01 . 2 . . . . 52 ASP HB2 . 18194 1 595 . 1 1 52 52 ASP HB3 H 1 3.059 0.01 . 2 . . . . 52 ASP HB3 . 18194 1 596 . 1 1 52 52 ASP C C 13 177.313 0.1 . 1 . . . . 52 ASP C . 18194 1 597 . 1 1 52 52 ASP CA C 13 52.585 0.1 . 1 . . . . 52 ASP CA . 18194 1 598 . 1 1 52 52 ASP CB C 13 42.077 0.1 . 1 . . . . 52 ASP CB . 18194 1 599 . 1 1 52 52 ASP N N 15 111.283 0.1 . 1 . . . . 52 ASP N . 18194 1 600 . 1 1 53 53 GLY H H 1 8.246 0.01 . 1 . . . . 53 GLY H . 18194 1 601 . 1 1 53 53 GLY HA2 H 1 3.816 0.01 . 2 . . . . 53 GLY HA2 . 18194 1 602 . 1 1 53 53 GLY HA3 H 1 4.125 0.01 . 2 . . . . 53 GLY HA3 . 18194 1 603 . 1 1 53 53 GLY C C 13 173.887 0.1 . 1 . . . . 53 GLY C . 18194 1 604 . 1 1 53 53 GLY CA C 13 46.072 0.1 . 1 . . . . 53 GLY CA . 18194 1 605 . 1 1 53 53 GLY N N 15 110.570 0.1 . 1 . . . . 53 GLY N . 18194 1 606 . 1 1 54 54 ALA H H 1 7.798 0.01 . 1 . . . . 54 ALA H . 18194 1 607 . 1 1 54 54 ALA HA H 1 4.214 0.01 . 1 . . . . 54 ALA HA . 18194 1 608 . 1 1 54 54 ALA HB1 H 1 1.384 0.01 . 1 . . . . 54 ALA QB . 18194 1 609 . 1 1 54 54 ALA HB2 H 1 1.384 0.01 . 1 . . . . 54 ALA QB . 18194 1 610 . 1 1 54 54 ALA HB3 H 1 1.384 0.01 . 1 . . . . 54 ALA QB . 18194 1 611 . 1 1 54 54 ALA C C 13 176.901 0.1 . 1 . . . . 54 ALA C . 18194 1 612 . 1 1 54 54 ALA CA C 13 53.049 0.1 . 1 . . . . 54 ALA CA . 18194 1 613 . 1 1 54 54 ALA CB C 13 19.170 0.1 . 1 . . . . 54 ALA CB . 18194 1 614 . 1 1 54 54 ALA N N 15 123.319 0.1 . 1 . . . . 54 ALA N . 18194 1 615 . 1 1 55 55 VAL H H 1 8.300 0.01 . 1 . . . . 55 VAL H . 18194 1 616 . 1 1 55 55 VAL HA H 1 4.690 0.01 . 1 . . . . 55 VAL HA . 18194 1 617 . 1 1 55 55 VAL HB H 1 1.896 0.01 . 1 . . . . 55 VAL HB . 18194 1 618 . 1 1 55 55 VAL HG11 H 1 0.853 0.01 . 2 . . . . 55 VAL QG1 . 18194 1 619 . 1 1 55 55 VAL HG12 H 1 0.853 0.01 . 2 . . . . 55 VAL QG1 . 18194 1 620 . 1 1 55 55 VAL HG13 H 1 0.853 0.01 . 2 . . . . 55 VAL QG1 . 18194 1 621 . 1 1 55 55 VAL HG21 H 1 0.961 0.01 . 2 . . . . 55 VAL QG2 . 18194 1 622 . 1 1 55 55 VAL HG22 H 1 0.961 0.01 . 2 . . . . 55 VAL QG2 . 18194 1 623 . 1 1 55 55 VAL HG23 H 1 0.961 0.01 . 2 . . . . 55 VAL QG2 . 18194 1 624 . 1 1 55 55 VAL C C 13 176.510 0.1 . 1 . . . . 55 VAL C . 18194 1 625 . 1 1 55 55 VAL CA C 13 62.148 0.1 . 1 . . . . 55 VAL CA . 18194 1 626 . 1 1 55 55 VAL CB C 13 33.131 0.1 . 1 . . . . 55 VAL CB . 18194 1 627 . 1 1 55 55 VAL CG1 C 13 21.500 0.1 . 2 . . . . 55 VAL CG1 . 18194 1 628 . 1 1 55 55 VAL N N 15 120.238 0.1 . 1 . . . . 55 VAL N . 18194 1 629 . 1 1 56 56 VAL H H 1 8.977 0.01 . 1 . . . . 56 VAL H . 18194 1 630 . 1 1 56 56 VAL HA H 1 4.286 0.01 . 1 . . . . 56 VAL HA . 18194 1 631 . 1 1 56 56 VAL HB H 1 1.760 0.01 . 1 . . . . 56 VAL HB . 18194 1 632 . 1 1 56 56 VAL HG11 H 1 0.593 0.01 . 2 . . . . 56 VAL QG1 . 18194 1 633 . 1 1 56 56 VAL HG12 H 1 0.593 0.01 . 2 . . . . 56 VAL QG1 . 18194 1 634 . 1 1 56 56 VAL HG13 H 1 0.593 0.01 . 2 . . . . 56 VAL QG1 . 18194 1 635 . 1 1 56 56 VAL HG21 H 1 0.672 0.01 . 2 . . . . 56 VAL QG2 . 18194 1 636 . 1 1 56 56 VAL HG22 H 1 0.672 0.01 . 2 . . . . 56 VAL QG2 . 18194 1 637 . 1 1 56 56 VAL HG23 H 1 0.672 0.01 . 2 . . . . 56 VAL QG2 . 18194 1 638 . 1 1 56 56 VAL C C 13 173.629 0.1 . 1 . . . . 56 VAL C . 18194 1 639 . 1 1 56 56 VAL CA C 13 60.929 0.1 . 1 . . . . 56 VAL CA . 18194 1 640 . 1 1 56 56 VAL CB C 13 34.888 0.1 . 1 . . . . 56 VAL CB . 18194 1 641 . 1 1 56 56 VAL CG1 C 13 20.850 0.1 . 2 . . . . 56 VAL CG1 . 18194 1 642 . 1 1 56 56 VAL CG2 C 13 19.822 0.1 . 2 . . . . 56 VAL CG2 . 18194 1 643 . 1 1 56 56 VAL N N 15 127.216 0.1 . 1 . . . . 56 VAL N . 18194 1 644 . 1 1 57 57 MET H H 1 8.668 0.01 . 1 . . . . 57 MET H . 18194 1 645 . 1 1 57 57 MET HA H 1 5.542 0.01 . 1 . . . . 57 MET HA . 18194 1 646 . 1 1 57 57 MET HB2 H 1 1.845 0.01 . 2 . . . . 57 MET HB2 . 18194 1 647 . 1 1 57 57 MET HB3 H 1 1.980 0.01 . 2 . . . . 57 MET HB3 . 18194 1 648 . 1 1 57 57 MET HG2 H 1 2.406 0.01 . 2 . . . . 57 MET HG2 . 18194 1 649 . 1 1 57 57 MET HG3 H 1 2.474 0.01 . 2 . . . . 57 MET HG3 . 18194 1 650 . 1 1 57 57 MET C C 13 175.731 0.1 . 1 . . . . 57 MET C . 18194 1 651 . 1 1 57 57 MET CA C 13 54.492 0.1 . 1 . . . . 57 MET CA . 18194 1 652 . 1 1 57 57 MET CB C 13 35.052 0.1 . 1 . . . . 57 MET CB . 18194 1 653 . 1 1 57 57 MET CG C 13 31.786 0.1 . 1 . . . . 57 MET CG . 18194 1 654 . 1 1 57 57 MET N N 15 126.179 0.1 . 1 . . . . 57 MET N . 18194 1 655 . 1 1 58 58 VAL H H 1 8.944 0.01 . 1 . . . . 58 VAL H . 18194 1 656 . 1 1 58 58 VAL HA H 1 4.981 0.01 . 1 . . . . 58 VAL HA . 18194 1 657 . 1 1 58 58 VAL HB H 1 2.019 0.01 . 1 . . . . 58 VAL HB . 18194 1 658 . 1 1 58 58 VAL HG11 H 1 0.788 0.01 . 2 . . . . 58 VAL QG1 . 18194 1 659 . 1 1 58 58 VAL HG12 H 1 0.788 0.01 . 2 . . . . 58 VAL QG1 . 18194 1 660 . 1 1 58 58 VAL HG13 H 1 0.788 0.01 . 2 . . . . 58 VAL QG1 . 18194 1 661 . 1 1 58 58 VAL HG21 H 1 0.965 0.01 . 2 . . . . 58 VAL QG2 . 18194 1 662 . 1 1 58 58 VAL HG22 H 1 0.965 0.01 . 2 . . . . 58 VAL QG2 . 18194 1 663 . 1 1 58 58 VAL HG23 H 1 0.965 0.01 . 2 . . . . 58 VAL QG2 . 18194 1 664 . 1 1 58 58 VAL CA C 13 57.983 0.1 . 1 . . . . 58 VAL CA . 18194 1 665 . 1 1 58 58 VAL CB C 13 35.540 0.1 . 1 . . . . 58 VAL CB . 18194 1 666 . 1 1 58 58 VAL CG1 C 13 20.323 0.1 . 2 . . . . 58 VAL CG1 . 18194 1 667 . 1 1 58 58 VAL CG2 C 13 21.870 0.1 . 2 . . . . 58 VAL CG2 . 18194 1 668 . 1 1 58 58 VAL N N 15 122.116 0.1 . 1 . . . . 58 VAL N . 18194 1 669 . 1 1 59 59 PRO HA H 1 4.244 0.01 . 1 . . . . 59 PRO HA . 18194 1 670 . 1 1 59 59 PRO HB2 H 1 1.816 0.01 . 2 . . . . 59 PRO HB2 . 18194 1 671 . 1 1 59 59 PRO HB3 H 1 2.042 0.01 . 2 . . . . 59 PRO HB3 . 18194 1 672 . 1 1 59 59 PRO HG2 H 1 1.909 0.01 . 2 . . . . 59 PRO HG2 . 18194 1 673 . 1 1 59 59 PRO HG3 H 1 2.079 0.01 . 2 . . . . 59 PRO HG3 . 18194 1 674 . 1 1 59 59 PRO HD2 H 1 3.636 0.01 . 2 . . . . 59 PRO HD2 . 18194 1 675 . 1 1 59 59 PRO HD3 H 1 3.991 0.01 . 2 . . . . 59 PRO HD3 . 18194 1 676 . 1 1 59 59 PRO C C 13 177.940 0.1 . 1 . . . . 59 PRO C . 18194 1 677 . 1 1 59 59 PRO CA C 13 62.631 0.1 . 1 . . . . 59 PRO CA . 18194 1 678 . 1 1 59 59 PRO CB C 13 31.855 0.1 . 1 . . . . 59 PRO CB . 18194 1 679 . 1 1 59 59 PRO CG C 13 27.885 0.1 . 1 . . . . 59 PRO CG . 18194 1 680 . 1 1 59 59 PRO CD C 13 51.277 0.1 . 1 . . . . 59 PRO CD . 18194 1 681 . 1 1 60 60 GLU H H 1 8.642 0.01 . 1 . . . . 60 GLU H . 18194 1 682 . 1 1 60 60 GLU HA H 1 3.735 0.01 . 1 . . . . 60 GLU HA . 18194 1 683 . 1 1 60 60 GLU HB2 H 1 1.735 0.01 . 2 . . . . 60 GLU HB2 . 18194 1 684 . 1 1 60 60 GLU HB3 H 1 1.979 0.01 . 2 . . . . 60 GLU HB3 . 18194 1 685 . 1 1 60 60 GLU HG2 H 1 2.072 0.01 . 2 . . . . 60 GLU HG2 . 18194 1 686 . 1 1 60 60 GLU HG3 H 1 2.184 0.01 . 2 . . . . 60 GLU HG3 . 18194 1 687 . 1 1 60 60 GLU C C 13 177.789 0.1 . 1 . . . . 60 GLU C . 18194 1 688 . 1 1 60 60 GLU CA C 13 59.753 0.1 . 1 . . . . 60 GLU CA . 18194 1 689 . 1 1 60 60 GLU CB C 13 30.112 0.1 . 1 . . . . 60 GLU CB . 18194 1 690 . 1 1 60 60 GLU CG C 13 36.061 0.1 . 1 . . . . 60 GLU CG . 18194 1 691 . 1 1 60 60 GLU N N 15 124.895 0.1 . 1 . . . . 60 GLU N . 18194 1 692 . 1 1 61 61 GLY H H 1 8.922 0.01 . 1 . . . . 61 GLY H . 18194 1 693 . 1 1 61 61 GLY HA2 H 1 3.907 0.01 . 2 . . . . 61 GLY QA . 18194 1 694 . 1 1 61 61 GLY HA3 H 1 3.907 0.01 . 2 . . . . 61 GLY QA . 18194 1 695 . 1 1 61 61 GLY C C 13 175.711 0.1 . 1 . . . . 61 GLY C . 18194 1 696 . 1 1 61 61 GLY CA C 13 46.477 0.1 . 1 . . . . 61 GLY CA . 18194 1 697 . 1 1 61 61 GLY N N 15 104.341 0.1 . 1 . . . . 61 GLY N . 18194 1 698 . 1 1 62 62 LYS H H 1 7.553 0.01 . 1 . . . . 62 LYS H . 18194 1 699 . 1 1 62 62 LYS HA H 1 4.423 0.01 . 1 . . . . 62 LYS HA . 18194 1 700 . 1 1 62 62 LYS HB2 H 1 1.827 0.01 . 2 . . . . 62 LYS HB2 . 18194 1 701 . 1 1 62 62 LYS HB3 H 1 2.062 0.01 . 2 . . . . 62 LYS HB3 . 18194 1 702 . 1 1 62 62 LYS HG2 H 1 1.436 0.01 . 2 . . . . 62 LYS HG2 . 18194 1 703 . 1 1 62 62 LYS HG3 H 1 1.534 0.01 . 2 . . . . 62 LYS HG3 . 18194 1 704 . 1 1 62 62 LYS HD2 H 1 1.686 0.01 . 2 . . . . 62 LYS QD . 18194 1 705 . 1 1 62 62 LYS HD3 H 1 1.686 0.01 . 2 . . . . 62 LYS QD . 18194 1 706 . 1 1 62 62 LYS HE2 H 1 2.981 0.01 . 2 . . . . 62 LYS QE . 18194 1 707 . 1 1 62 62 LYS HE3 H 1 2.981 0.01 . 2 . . . . 62 LYS QE . 18194 1 708 . 1 1 62 62 LYS C C 13 177.170 0.1 . 1 . . . . 62 LYS C . 18194 1 709 . 1 1 62 62 LYS CA C 13 56.699 0.1 . 1 . . . . 62 LYS CA . 18194 1 710 . 1 1 62 62 LYS CB C 13 32.971 0.1 . 1 . . . . 62 LYS CB . 18194 1 711 . 1 1 62 62 LYS CG C 13 24.928 0.1 . 1 . . . . 62 LYS CG . 18194 1 712 . 1 1 62 62 LYS CD C 13 28.925 0.1 . 1 . . . . 62 LYS CD . 18194 1 713 . 1 1 62 62 LYS CE C 13 41.943 0.1 . 1 . . . . 62 LYS CE . 18194 1 714 . 1 1 62 62 LYS N N 15 118.819 0.1 . 1 . . . . 62 LYS N . 18194 1 715 . 1 1 63 63 VAL H H 1 7.370 0.01 . 1 . . . . 63 VAL H . 18194 1 716 . 1 1 63 63 VAL HA H 1 3.587 0.01 . 1 . . . . 63 VAL HA . 18194 1 717 . 1 1 63 63 VAL HB H 1 2.199 0.01 . 1 . . . . 63 VAL HB . 18194 1 718 . 1 1 63 63 VAL HG11 H 1 0.902 0.01 . 2 . . . . 63 VAL QG1 . 18194 1 719 . 1 1 63 63 VAL HG12 H 1 0.902 0.01 . 2 . . . . 63 VAL QG1 . 18194 1 720 . 1 1 63 63 VAL HG13 H 1 0.902 0.01 . 2 . . . . 63 VAL QG1 . 18194 1 721 . 1 1 63 63 VAL HG21 H 1 0.980 0.01 . 2 . . . . 63 VAL QG2 . 18194 1 722 . 1 1 63 63 VAL HG22 H 1 0.980 0.01 . 2 . . . . 63 VAL QG2 . 18194 1 723 . 1 1 63 63 VAL HG23 H 1 0.980 0.01 . 2 . . . . 63 VAL QG2 . 18194 1 724 . 1 1 63 63 VAL C C 13 177.079 0.1 . 1 . . . . 63 VAL C . 18194 1 725 . 1 1 63 63 VAL CA C 13 66.328 0.1 . 1 . . . . 63 VAL CA . 18194 1 726 . 1 1 63 63 VAL CB C 13 31.671 0.1 . 1 . . . . 63 VAL CB . 18194 1 727 . 1 1 63 63 VAL CG1 C 13 22.172 0.1 . 2 . . . . 63 VAL CG1 . 18194 1 728 . 1 1 63 63 VAL CG2 C 13 23.045 0.1 . 2 . . . . 63 VAL CG2 . 18194 1 729 . 1 1 63 63 VAL N N 15 118.112 0.1 . 1 . . . . 63 VAL N . 18194 1 730 . 1 1 64 64 LEU H H 1 8.055 0.01 . 1 . . . . 64 LEU H . 18194 1 731 . 1 1 64 64 LEU HA H 1 4.195 0.01 . 1 . . . . 64 LEU HA . 18194 1 732 . 1 1 64 64 LEU HB2 H 1 1.576 0.01 . 2 . . . . 64 LEU HB2 . 18194 1 733 . 1 1 64 64 LEU HB3 H 1 1.710 0.01 . 2 . . . . 64 LEU HB3 . 18194 1 734 . 1 1 64 64 LEU HG H 1 1.695 0.01 . 1 . . . . 64 LEU HG . 18194 1 735 . 1 1 64 64 LEU HD11 H 1 0.856 0.01 . 2 . . . . 64 LEU QD1 . 18194 1 736 . 1 1 64 64 LEU HD12 H 1 0.856 0.01 . 2 . . . . 64 LEU QD1 . 18194 1 737 . 1 1 64 64 LEU HD13 H 1 0.856 0.01 . 2 . . . . 64 LEU QD1 . 18194 1 738 . 1 1 64 64 LEU HD21 H 1 0.885 0.01 . 2 . . . . 64 LEU QD2 . 18194 1 739 . 1 1 64 64 LEU HD22 H 1 0.885 0.01 . 2 . . . . 64 LEU QD2 . 18194 1 740 . 1 1 64 64 LEU HD23 H 1 0.885 0.01 . 2 . . . . 64 LEU QD2 . 18194 1 741 . 1 1 64 64 LEU C C 13 179.226 0.1 . 1 . . . . 64 LEU C . 18194 1 742 . 1 1 64 64 LEU CA C 13 56.850 0.1 . 1 . . . . 64 LEU CA . 18194 1 743 . 1 1 64 64 LEU CB C 13 41.565 0.1 . 1 . . . . 64 LEU CB . 18194 1 744 . 1 1 64 64 LEU CG C 13 27.056 0.1 . 1 . . . . 64 LEU CG . 18194 1 745 . 1 1 64 64 LEU CD1 C 13 23.341 0.1 . 2 . . . . 64 LEU CD1 . 18194 1 746 . 1 1 64 64 LEU CD2 C 13 25.135 0.1 . 2 . . . . 64 LEU CD2 . 18194 1 747 . 1 1 64 64 LEU N N 15 118.147 0.1 . 1 . . . . 64 LEU N . 18194 1 748 . 1 1 65 65 ALA H H 1 7.758 0.01 . 1 . . . . 65 ALA H . 18194 1 749 . 1 1 65 65 ALA HA H 1 4.195 0.01 . 1 . . . . 65 ALA HA . 18194 1 750 . 1 1 65 65 ALA HB1 H 1 1.491 0.01 . 1 . . . . 65 ALA QB . 18194 1 751 . 1 1 65 65 ALA HB2 H 1 1.491 0.01 . 1 . . . . 65 ALA QB . 18194 1 752 . 1 1 65 65 ALA HB3 H 1 1.491 0.01 . 1 . . . . 65 ALA QB . 18194 1 753 . 1 1 65 65 ALA C C 13 179.602 0.1 . 1 . . . . 65 ALA C . 18194 1 754 . 1 1 65 65 ALA CA C 13 54.245 0.1 . 1 . . . . 65 ALA CA . 18194 1 755 . 1 1 65 65 ALA CB C 13 18.945 0.1 . 1 . . . . 65 ALA CB . 18194 1 756 . 1 1 65 65 ALA N N 15 122.048 0.1 . 1 . . . . 65 ALA N . 18194 1 757 . 1 1 66 66 ILE H H 1 7.897 0.01 . 1 . . . . 66 ILE H . 18194 1 758 . 1 1 66 66 ILE HA H 1 4.163 0.01 . 1 . . . . 66 ILE HA . 18194 1 759 . 1 1 66 66 ILE HB H 1 1.940 0.01 . 1 . . . . 66 ILE HB . 18194 1 760 . 1 1 66 66 ILE HG12 H 1 1.331 0.01 . 2 . . . . 66 ILE HG12 . 18194 1 761 . 1 1 66 66 ILE HG13 H 1 1.380 0.01 . 2 . . . . 66 ILE HG13 . 18194 1 762 . 1 1 66 66 ILE HG21 H 1 0.816 0.01 . 1 . . . . 66 ILE QG2 . 18194 1 763 . 1 1 66 66 ILE HG22 H 1 0.816 0.01 . 1 . . . . 66 ILE QG2 . 18194 1 764 . 1 1 66 66 ILE HG23 H 1 0.816 0.01 . 1 . . . . 66 ILE QG2 . 18194 1 765 . 1 1 66 66 ILE HD11 H 1 0.722 0.01 . 1 . . . . 66 ILE QD1 . 18194 1 766 . 1 1 66 66 ILE HD12 H 1 0.722 0.01 . 1 . . . . 66 ILE QD1 . 18194 1 767 . 1 1 66 66 ILE HD13 H 1 0.722 0.01 . 1 . . . . 66 ILE QD1 . 18194 1 768 . 1 1 66 66 ILE C C 13 176.533 0.1 . 1 . . . . 66 ILE C . 18194 1 769 . 1 1 66 66 ILE CA C 13 62.197 0.1 . 1 . . . . 66 ILE CA . 18194 1 770 . 1 1 66 66 ILE CB C 13 38.825 0.1 . 1 . . . . 66 ILE CB . 18194 1 771 . 1 1 66 66 ILE CG1 C 13 27.453 0.1 . 1 . . . . 66 ILE CG1 . 18194 1 772 . 1 1 66 66 ILE CG2 C 13 17.367 0.1 . 1 . . . . 66 ILE CG2 . 18194 1 773 . 1 1 66 66 ILE CD1 C 13 13.836 0.1 . 1 . . . . 66 ILE CD1 . 18194 1 774 . 1 1 66 66 ILE N N 15 114.096 0.1 . 1 . . . . 66 ILE N . 18194 1 775 . 1 1 67 67 GLY H H 1 7.792 0.01 . 1 . . . . 67 GLY H . 18194 1 776 . 1 1 67 67 GLY HA2 H 1 3.825 0.01 . 2 . . . . 67 GLY HA2 . 18194 1 777 . 1 1 67 67 GLY HA3 H 1 4.077 0.01 . 2 . . . . 67 GLY HA3 . 18194 1 778 . 1 1 67 67 GLY C C 13 174.567 0.1 . 1 . . . . 67 GLY C . 18194 1 779 . 1 1 67 67 GLY CA C 13 45.417 0.1 . 1 . . . . 67 GLY CA . 18194 1 780 . 1 1 67 67 GLY N N 15 108.221 0.1 . 1 . . . . 67 GLY N . 18194 1 781 . 1 1 68 68 VAL H H 1 7.573 0.01 . 1 . . . . 68 VAL H . 18194 1 782 . 1 1 68 68 VAL HA H 1 4.192 0.01 . 1 . . . . 68 VAL HA . 18194 1 783 . 1 1 68 68 VAL HB H 1 1.949 0.01 . 1 . . . . 68 VAL HB . 18194 1 784 . 1 1 68 68 VAL HG11 H 1 0.811 0.01 . 2 . . . . 68 VAL QG1 . 18194 1 785 . 1 1 68 68 VAL HG12 H 1 0.811 0.01 . 2 . . . . 68 VAL QG1 . 18194 1 786 . 1 1 68 68 VAL HG13 H 1 0.811 0.01 . 2 . . . . 68 VAL QG1 . 18194 1 787 . 1 1 68 68 VAL HG21 H 1 0.811 0.01 . 2 . . . . 68 VAL QG2 . 18194 1 788 . 1 1 68 68 VAL HG22 H 1 0.811 0.01 . 2 . . . . 68 VAL QG2 . 18194 1 789 . 1 1 68 68 VAL HG23 H 1 0.811 0.01 . 2 . . . . 68 VAL QG2 . 18194 1 790 . 1 1 68 68 VAL C C 13 175.066 0.1 . 1 . . . . 68 VAL C . 18194 1 791 . 1 1 68 68 VAL CA C 13 62.886 0.1 . 1 . . . . 68 VAL CA . 18194 1 792 . 1 1 68 68 VAL CB C 13 31.990 0.1 . 1 . . . . 68 VAL CB . 18194 1 793 . 1 1 68 68 VAL CG1 C 13 21.729 0.1 . 2 . . . . 68 VAL CG1 . 18194 1 794 . 1 1 68 68 VAL N N 15 119.944 0.1 . 1 . . . . 68 VAL N . 18194 1 795 . 1 1 69 69 ARG H H 1 7.939 0.01 . 1 . . . . 69 ARG H . 18194 1 796 . 1 1 69 69 ARG HA H 1 4.694 0.01 . 1 . . . . 69 ARG HA . 18194 1 797 . 1 1 69 69 ARG HB2 H 1 1.691 0.01 . 2 . . . . 69 ARG HB2 . 18194 1 798 . 1 1 69 69 ARG HB3 H 1 1.834 0.01 . 2 . . . . 69 ARG HB3 . 18194 1 799 . 1 1 69 69 ARG HG2 H 1 1.594 0.01 . 2 . . . . 69 ARG QG . 18194 1 800 . 1 1 69 69 ARG HG3 H 1 1.594 0.01 . 2 . . . . 69 ARG QG . 18194 1 801 . 1 1 69 69 ARG HD2 H 1 3.183 0.01 . 2 . . . . 69 ARG QD . 18194 1 802 . 1 1 69 69 ARG HD3 H 1 3.183 0.01 . 2 . . . . 69 ARG QD . 18194 1 803 . 1 1 69 69 ARG C C 13 175.337 0.1 . 1 . . . . 69 ARG C . 18194 1 804 . 1 1 69 69 ARG CA C 13 54.312 0.1 . 1 . . . . 69 ARG CA . 18194 1 805 . 1 1 69 69 ARG CB C 13 32.839 0.1 . 1 . . . . 69 ARG CB . 18194 1 806 . 1 1 69 69 ARG CG C 13 26.782 0.1 . 1 . . . . 69 ARG CG . 18194 1 807 . 1 1 69 69 ARG CD C 13 43.317 0.1 . 1 . . . . 69 ARG CD . 18194 1 808 . 1 1 69 69 ARG N N 15 123.919 0.1 . 1 . . . . 69 ARG N . 18194 1 809 . 1 1 70 70 LYS H H 1 8.773 0.01 . 1 . . . . 70 LYS H . 18194 1 810 . 1 1 70 70 LYS HA H 1 4.562 0.01 . 1 . . . . 70 LYS HA . 18194 1 811 . 1 1 70 70 LYS HB2 H 1 1.658 0.01 . 2 . . . . 70 LYS HB2 . 18194 1 812 . 1 1 70 70 LYS HB3 H 1 1.882 0.01 . 2 . . . . 70 LYS HB3 . 18194 1 813 . 1 1 70 70 LYS HG2 H 1 1.329 0.01 . 2 . . . . 70 LYS HG2 . 18194 1 814 . 1 1 70 70 LYS HG3 H 1 1.491 0.01 . 2 . . . . 70 LYS HG3 . 18194 1 815 . 1 1 70 70 LYS HD2 H 1 1.698 0.01 . 2 . . . . 70 LYS QD . 18194 1 816 . 1 1 70 70 LYS HD3 H 1 1.698 0.01 . 2 . . . . 70 LYS QD . 18194 1 817 . 1 1 70 70 LYS HE2 H 1 2.934 0.01 . 2 . . . . 70 LYS QE . 18194 1 818 . 1 1 70 70 LYS HE3 H 1 2.934 0.01 . 2 . . . . 70 LYS QE . 18194 1 819 . 1 1 70 70 LYS C C 13 176.703 0.1 . 1 . . . . 70 LYS C . 18194 1 820 . 1 1 70 70 LYS CA C 13 56.845 0.1 . 1 . . . . 70 LYS CA . 18194 1 821 . 1 1 70 70 LYS CB C 13 33.096 0.1 . 1 . . . . 70 LYS CB . 18194 1 822 . 1 1 70 70 LYS CG C 13 25.845 0.1 . 1 . . . . 70 LYS CG . 18194 1 823 . 1 1 70 70 LYS CD C 13 29.183 0.1 . 1 . . . . 70 LYS CD . 18194 1 824 . 1 1 70 70 LYS CE C 13 41.925 0.1 . 1 . . . . 70 LYS CE . 18194 1 825 . 1 1 70 70 LYS N N 15 123.368 0.1 . 1 . . . . 70 LYS N . 18194 1 826 . 1 1 71 71 VAL H H 1 8.347 0.01 . 1 . . . . 71 VAL H . 18194 1 827 . 1 1 71 71 VAL HA H 1 4.117 0.01 . 1 . . . . 71 VAL HA . 18194 1 828 . 1 1 71 71 VAL HB H 1 1.997 0.01 . 1 . . . . 71 VAL HB . 18194 1 829 . 1 1 71 71 VAL HG11 H 1 0.840 0.01 . 2 . . . . 71 VAL QG1 . 18194 1 830 . 1 1 71 71 VAL HG12 H 1 0.840 0.01 . 2 . . . . 71 VAL QG1 . 18194 1 831 . 1 1 71 71 VAL HG13 H 1 0.840 0.01 . 2 . . . . 71 VAL QG1 . 18194 1 832 . 1 1 71 71 VAL HG21 H 1 0.918 0.01 . 2 . . . . 71 VAL QG2 . 18194 1 833 . 1 1 71 71 VAL HG22 H 1 0.918 0.01 . 2 . . . . 71 VAL QG2 . 18194 1 834 . 1 1 71 71 VAL HG23 H 1 0.918 0.01 . 2 . . . . 71 VAL QG2 . 18194 1 835 . 1 1 71 71 VAL C C 13 175.543 0.1 . 1 . . . . 71 VAL C . 18194 1 836 . 1 1 71 71 VAL CA C 13 62.132 0.1 . 1 . . . . 71 VAL CA . 18194 1 837 . 1 1 71 71 VAL CB C 13 32.803 0.1 . 1 . . . . 71 VAL CB . 18194 1 838 . 1 1 71 71 VAL CG1 C 13 20.710 0.1 . 2 . . . . 71 VAL CG1 . 18194 1 839 . 1 1 71 71 VAL N N 15 122.535 0.1 . 1 . . . . 71 VAL N . 18194 1 840 . 1 1 72 72 ALA H H 1 8.462 0.01 . 1 . . . . 72 ALA H . 18194 1 841 . 1 1 72 72 ALA HA H 1 4.412 0.01 . 1 . . . . 72 ALA HA . 18194 1 842 . 1 1 72 72 ALA HB1 H 1 1.440 0.01 . 1 . . . . 72 ALA QB . 18194 1 843 . 1 1 72 72 ALA HB2 H 1 1.440 0.01 . 1 . . . . 72 ALA QB . 18194 1 844 . 1 1 72 72 ALA HB3 H 1 1.440 0.01 . 1 . . . . 72 ALA QB . 18194 1 845 . 1 1 72 72 ALA C C 13 177.495 0.1 . 1 . . . . 72 ALA C . 18194 1 846 . 1 1 72 72 ALA CA C 13 52.370 0.1 . 1 . . . . 72 ALA CA . 18194 1 847 . 1 1 72 72 ALA CB C 13 19.565 0.1 . 1 . . . . 72 ALA CB . 18194 1 848 . 1 1 72 72 ALA N N 15 127.534 0.1 . 1 . . . . 72 ALA N . 18194 1 849 . 1 1 73 73 SER H H 1 8.334 0.01 . 1 . . . . 73 SER H . 18194 1 850 . 1 1 73 73 SER HA H 1 4.471 0.01 . 1 . . . . 73 SER HA . 18194 1 851 . 1 1 73 73 SER HB2 H 1 3.898 0.01 . 2 . . . . 73 SER QB . 18194 1 852 . 1 1 73 73 SER HB3 H 1 3.898 0.01 . 2 . . . . 73 SER QB . 18194 1 853 . 1 1 73 73 SER C C 13 174.127 0.1 . 1 . . . . 73 SER C . 18194 1 854 . 1 1 73 73 SER CA C 13 58.457 0.1 . 1 . . . . 73 SER CA . 18194 1 855 . 1 1 73 73 SER CB C 13 63.988 0.1 . 1 . . . . 73 SER CB . 18194 1 856 . 1 1 73 73 SER N N 15 115.660 0.1 . 1 . . . . 73 SER N . 18194 1 857 . 1 1 74 74 ALA H H 1 8.408 0.01 . 1 . . . . 74 ALA H . 18194 1 858 . 1 1 74 74 ALA HA H 1 4.377 0.01 . 1 . . . . 74 ALA HA . 18194 1 859 . 1 1 74 74 ALA HB1 H 1 1.412 0.01 . 1 . . . . 74 ALA QB . 18194 1 860 . 1 1 74 74 ALA HB2 H 1 1.412 0.01 . 1 . . . . 74 ALA QB . 18194 1 861 . 1 1 74 74 ALA HB3 H 1 1.412 0.01 . 1 . . . . 74 ALA QB . 18194 1 862 . 1 1 74 74 ALA C C 13 176.642 0.1 . 1 . . . . 74 ALA C . 18194 1 863 . 1 1 74 74 ALA CA C 13 52.625 0.1 . 1 . . . . 74 ALA CA . 18194 1 864 . 1 1 74 74 ALA CB C 13 19.417 0.1 . 1 . . . . 74 ALA CB . 18194 1 865 . 1 1 74 74 ALA N N 15 126.311 0.1 . 1 . . . . 74 ALA N . 18194 1 866 . 1 1 75 75 GLU H H 1 7.924 0.01 . 1 . . . . 75 GLU H . 18194 1 867 . 1 1 75 75 GLU HA H 1 4.102 0.01 . 1 . . . . 75 GLU HA . 18194 1 868 . 1 1 75 75 GLU HB2 H 1 1.887 0.01 . 2 . . . . 75 GLU HB2 . 18194 1 869 . 1 1 75 75 GLU HB3 H 1 2.045 0.01 . 2 . . . . 75 GLU HB3 . 18194 1 870 . 1 1 75 75 GLU HG2 H 1 2.198 0.01 . 2 . . . . 75 GLU QG . 18194 1 871 . 1 1 75 75 GLU HG3 H 1 2.198 0.01 . 2 . . . . 75 GLU QG . 18194 1 872 . 1 1 75 75 GLU CA C 13 57.971 0.1 . 1 . . . . 75 GLU CA . 18194 1 873 . 1 1 75 75 GLU CB C 13 31.215 0.1 . 1 . . . . 75 GLU CB . 18194 1 874 . 1 1 75 75 GLU CG C 13 36.741 0.1 . 1 . . . . 75 GLU CG . 18194 1 875 . 1 1 75 75 GLU N N 15 125.171 0.1 . 1 . . . . 75 GLU N . 18194 1 stop_ save_