data_16355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16355 _Entry.Title ; NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3449A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-16 _Entry.Accession_date 2009-06-16 _Entry.Last_release_date 2012-02-22 _Entry.Original_release_date 2012-02-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Rajeswari Mani . . . 16355 2 Swapna Gurla . V.T. . 16355 3 Ritu Shastry . . . 16355 4 Colleen Ciccosanti . . . 16355 5 Erica Foote . . . 16355 6 Mei Jiang . . . 16355 7 Rong Xiao . . . 16355 8 Rajesh Nair . . . 16355 9 John Everett . . . 16355 10 Yuanpeng Huang . . . 16355 11 Tom Acton . . . 16355 12 Burkhard Rost . . . 16355 13 Gaetano Montelione . . . 16355 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16355 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AR3449A . 16355 'Arabidopsis thaliana' . 16355 NESG . 16355 'Solution NMR' . 16355 'uncharacterized putative protein' . 16355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 16355 '15N chemical shifts' 81 16355 '1H chemical shifts' 552 16355 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 . . 2012-02-22 2009-06-16 original author . 16355 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KK8 'BMRB Entry Tracking System' 16355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16355 _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 'NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium Target AR3449A' _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 Rajeswari Mani . . . 16355 1 2 Swapna Gurla . V.T. . 16355 1 3 Ritu Shastry . . . 16355 1 4 Colleen Ciccosanti . . . 16355 1 5 Erica Foote . . . 16355 1 6 Mei Jiang . . . 16355 1 7 Rong Xiao . . . 16355 1 8 Rajesh Nair . . . 16355 1 9 John Everett . . . 16355 1 10 Yuanpeng Huang . . . 16355 1 11 Tom Acton . . . 16355 1 12 Burkhard Rost . . . 16355 1 13 Gaetano Montelione . . . 16355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16355 _Assembly.ID 1 _Assembly.Name AR3449A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AR3449A 1 $AR3449A A . yes native no no . . . 16355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AR3449A _Entity.Sf_category entity _Entity.Sf_framecode AR3449A _Entity.Entry_ID 16355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AR3449A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMKFLVENLNG SSFELEVDYRDTLLVVKQKI ERSQHIPVSKQTLIVDGIVI LREDLTVEQCQIVPTSDIQL EVSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-84 _Entity.Polymer_author_seq_details '1-10 residues MGHHHHHHSH is a N-terminal 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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9679.103 _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 2KK8 . "Nmr Solution Structure Of A Putative Uncharacterized Protein Obtained From Arabidopsis Thaliana: Northeast Structural Genomics " . . . . . 100.00 84 100.00 100.00 1.62e-51 . . . . 16355 1 2 no EMBL CAB81069 . "putative protein (ubiquitin like) [Arabidopsis thaliana]" . . . . . 88.10 129 100.00 100.00 1.12e-42 . . . . 16355 1 3 no GB AEE82498 . "ubiquitin family protein [Arabidopsis thaliana]" . . . . . 88.10 129 100.00 100.00 1.12e-42 . . . . 16355 1 4 no REF NP_192436 . "ubiquitin family protein [Arabidopsis thaliana]" . . . . . 88.10 129 100.00 100.00 1.12e-42 . . . . 16355 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 . MET . 16355 1 2 . GLY . 16355 1 3 . HIS . 16355 1 4 . HIS . 16355 1 5 . HIS . 16355 1 6 . HIS . 16355 1 7 . HIS . 16355 1 8 . HIS . 16355 1 9 . SER . 16355 1 10 . HIS . 16355 1 11 . MET . 16355 1 12 . LYS . 16355 1 13 . PHE . 16355 1 14 . LEU . 16355 1 15 . VAL . 16355 1 16 . GLU . 16355 1 17 . ASN . 16355 1 18 . LEU . 16355 1 19 . ASN . 16355 1 20 . GLY . 16355 1 21 . SER . 16355 1 22 . SER . 16355 1 23 . PHE . 16355 1 24 . GLU . 16355 1 25 . LEU . 16355 1 26 . GLU . 16355 1 27 . VAL . 16355 1 28 . ASP . 16355 1 29 . TYR . 16355 1 30 . ARG . 16355 1 31 . ASP . 16355 1 32 . THR . 16355 1 33 . LEU . 16355 1 34 . LEU . 16355 1 35 . VAL . 16355 1 36 . VAL . 16355 1 37 . LYS . 16355 1 38 . GLN . 16355 1 39 . LYS . 16355 1 40 . ILE . 16355 1 41 . GLU . 16355 1 42 . ARG . 16355 1 43 . SER . 16355 1 44 . GLN . 16355 1 45 . HIS . 16355 1 46 . ILE . 16355 1 47 . PRO . 16355 1 48 . VAL . 16355 1 49 . SER . 16355 1 50 . LYS . 16355 1 51 . GLN . 16355 1 52 . THR . 16355 1 53 . LEU . 16355 1 54 . ILE . 16355 1 55 . VAL . 16355 1 56 . ASP . 16355 1 57 . GLY . 16355 1 58 . ILE . 16355 1 59 . VAL . 16355 1 60 . ILE . 16355 1 61 . LEU . 16355 1 62 . ARG . 16355 1 63 . GLU . 16355 1 64 . ASP . 16355 1 65 . LEU . 16355 1 66 . THR . 16355 1 67 . VAL . 16355 1 68 . GLU . 16355 1 69 . GLN . 16355 1 70 . CYS . 16355 1 71 . GLN . 16355 1 72 . ILE . 16355 1 73 . VAL . 16355 1 74 . PRO . 16355 1 75 . THR . 16355 1 76 . SER . 16355 1 77 . ASP . 16355 1 78 . ILE . 16355 1 79 . GLN . 16355 1 80 . LEU . 16355 1 81 . GLU . 16355 1 82 . VAL . 16355 1 83 . SER . 16355 1 84 . SER . 16355 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 . MET 1 1 16355 1 . GLY 2 2 16355 1 . HIS 3 3 16355 1 . HIS 4 4 16355 1 . HIS 5 5 16355 1 . HIS 6 6 16355 1 . HIS 7 7 16355 1 . HIS 8 8 16355 1 . SER 9 9 16355 1 . HIS 10 10 16355 1 . MET 11 11 16355 1 . LYS 12 12 16355 1 . PHE 13 13 16355 1 . LEU 14 14 16355 1 . VAL 15 15 16355 1 . GLU 16 16 16355 1 . ASN 17 17 16355 1 . LEU 18 18 16355 1 . ASN 19 19 16355 1 . GLY 20 20 16355 1 . SER 21 21 16355 1 . SER 22 22 16355 1 . PHE 23 23 16355 1 . GLU 24 24 16355 1 . LEU 25 25 16355 1 . GLU 26 26 16355 1 . VAL 27 27 16355 1 . ASP 28 28 16355 1 . TYR 29 29 16355 1 . ARG 30 30 16355 1 . ASP 31 31 16355 1 . THR 32 32 16355 1 . LEU 33 33 16355 1 . LEU 34 34 16355 1 . VAL 35 35 16355 1 . VAL 36 36 16355 1 . LYS 37 37 16355 1 . GLN 38 38 16355 1 . LYS 39 39 16355 1 . ILE 40 40 16355 1 . GLU 41 41 16355 1 . ARG 42 42 16355 1 . SER 43 43 16355 1 . GLN 44 44 16355 1 . HIS 45 45 16355 1 . ILE 46 46 16355 1 . PRO 47 47 16355 1 . VAL 48 48 16355 1 . SER 49 49 16355 1 . LYS 50 50 16355 1 . GLN 51 51 16355 1 . THR 52 52 16355 1 . LEU 53 53 16355 1 . ILE 54 54 16355 1 . VAL 55 55 16355 1 . ASP 56 56 16355 1 . GLY 57 57 16355 1 . ILE 58 58 16355 1 . VAL 59 59 16355 1 . ILE 60 60 16355 1 . LEU 61 61 16355 1 . ARG 62 62 16355 1 . GLU 63 63 16355 1 . ASP 64 64 16355 1 . LEU 65 65 16355 1 . THR 66 66 16355 1 . VAL 67 67 16355 1 . GLU 68 68 16355 1 . GLN 69 69 16355 1 . CYS 70 70 16355 1 . GLN 71 71 16355 1 . ILE 72 72 16355 1 . VAL 73 73 16355 1 . PRO 74 74 16355 1 . THR 75 75 16355 1 . SER 76 76 16355 1 . ASP 77 77 16355 1 . ILE 78 78 16355 1 . GLN 79 79 16355 1 . LEU 80 80 16355 1 . GLU 81 81 16355 1 . VAL 82 82 16355 1 . SER 83 83 16355 1 . SER 84 84 16355 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 16355 _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 $AR3449A . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . OrderedLocusNames:At4g05270 . . . . 16355 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 16355 _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 $AR3449A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . pET21-23C . . . . . . 16355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16355 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 1.11mM _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 AR3449A '[U-100% 13C; U-100% 15N]' . . 1 $AR3449A . . 1.11 . . mM . . . . 16355 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16355 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16355 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16355 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16355 1 6 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16355 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16355 1 8 DDT 'natural abundance' . . . . . . 10 . . mM . . . . 16355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16355 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.22mM, 5%D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AR3449A '[U-10% 13C; U-100% 15N]' . . 1 $AR3449A . . 1.22 . . mM . . . . 16355 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16355 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16355 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16355 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16355 2 6 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16355 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16355 2 8 DDT 'natural abundance' . . . . . . 10 . . mM . . . . 16355 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16355 _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' . . M 16355 1 pH 6.5 . pH 16355 1 pressure 1 . atm 16355 1 temperature 293 . K 16355 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16355 _Software.ID 1 _Software.Name CNS _Software.Version 2.0.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16355 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16355 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16355 _Software.ID 2 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16355 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16355 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16355 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16355 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16355 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16355 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.4.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16355 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16355 4 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 16355 _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 16355 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16355 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16355 _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 . . . 16355 1 2 spectrometer_2 Varian INOVA . 600 . . . 16355 1 3 spectrometer_3 Varian INOVA . 500 . . . 16355 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 16355 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16355 1 2 '3D 1H-13C aliphatic NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16355 1 3 '3D 1H-13C aromatic NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16355 1 4 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16355 1 5 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16355 1 6 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 7 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 8 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 9 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 10 '(4,3)D GFT-HNNCABCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 11 '(4,3)D GFT-CABCA(CO)NHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 12 '3D GFT-HNNCABCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 13 '3D GFT-CABCA(CO)NHN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 14 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 15 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 16 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 17 '3D H(CCO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 18 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16355 1 19 '3D HNHA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16355 1 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-13C aromatic NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CaromNoesy_B800/ . . . . . . . 16355 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CaromNoesy_B800/ . . . . . . . 16355 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CaromNoesy_B800/ . . . . . . . 16355 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CaromNoesy_B800/ . . . . . . . 16355 1 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_B800/ . . . . . . . 16355 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_B800/ . . . . . . . 16355 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_B800/ . . . . . . . 16355 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_B800/ . . . . . . . 16355 2 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_B800/ . . . . . . . 16355 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_B800/ . . . . . . . 16355 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_B800/ . . . . . . . 16355 3 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_B800/ . . . . . . . 16355 3 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_V600/ . . . . . . . 16355 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_V600/ . . . . . . . 16355 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_NHSQC_V600/ . . . . . . . 16355 4 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_V600/ . . . . . . . 16355 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_V600/ . . . . . . . 16355 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CHSQC_V600/ . . . . . . . 16355 5 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HBHACONH_V600/ . . . . . . . 16355 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HBHACONH_V600/ . . . . . . . 16355 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HBHACONH_V600/ . . . . . . . 16355 6 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CBCACONH_V600/ . . . . . . . 16355 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CBCACONH_V600/ . . . . . . . 16355 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_CBCACONH_V600/ . . . . . . . 16355 7 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '(4,3)D GFT-CABCA(CO)NHN' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTCBCACONHN_V600/ . . . . . . . 16355 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTCBCACONHN_V600/ . . . . . . . 16355 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTCBCACONHN_V600/ . . . . . . . 16355 8 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D GFT-HNNCABCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTHNCACBCA_V600/ . . . . . . . 16355 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTHNCACBCA_V600/ . . . . . . . 16355 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_GFTHNCACBCA_V600/ . . . . . . . 16355 9 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCO_V600/ . . . . . . . 16355 10 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCO_V600/ . . . . . . . 16355 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCO_V600/ . . . . . . . 16355 10 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCA_V600/ . . . . . . . 16355 11 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCA_V600/ . . . . . . . 16355 11 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCA_V600/ . . . . . . . 16355 11 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCACB_V600/ . . . . . . . 16355 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCACB_V600/ . . . . . . . 16355 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNCACB_V600/ . . . . . . . 16355 12 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCONHTOCSY_V600/ . . . . . . . 16355 13 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCONHTOCSY_V600/ . . . . . . . 16355 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCONHTOCSY_V600/ . . . . . . . 16355 13 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCHTOCSY_V600/ . . . . . . . 16355 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCHTOCSY_V600/ . . . . . . . 16355 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HCCHTOCSY_V600/ . . . . . . . 16355 14 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 16355 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNHA_V500/ . . . . . . . 16355 15 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNHA_V500/ . . . . . . . 16355 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16355/timedomain_data/AR3449A_16355BMRB/AR3449A_1_HNHA_V500/ . . . . . . . 16355 15 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 16355 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal DSS used to reference protons' 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 external indirect 0.25144953 . . . . . . . . . 16355 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16355 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16355 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 16355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-15N HSQC' . . . 16355 1 5 '2D 1H-13C HSQC' . . . 16355 1 8 '3D HBHA(CO)NH' . . . 16355 1 9 '3D CBCA(CO)NH' . . . 16355 1 10 '(4,3)D GFT-HNNCABCA' . . . 16355 1 11 '(4,3)D GFT-CABCA(CO)NHN' . . . 16355 1 12 '3D HNCO' . . . 16355 1 13 '3D HNCA' . . . 16355 1 14 '3D HNCACB' . . . 16355 1 15 '3D H(CCO)NH' . . . 16355 1 16 '3D HCCH-TOCSY' . . . 16355 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $AutoAssign . . 16355 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 9 9 SER HA H 1 4.411 0.05 . 1 . . . . 9 Ser HA . 16355 1 2 . 1 1 9 9 SER HB2 H 1 3.889 0.05 . 2 . . . . 9 Ser HB2 . 16355 1 3 . 1 1 9 9 SER HB3 H 1 3.772 0.05 . 2 . . . . 9 Ser HB3 . 16355 1 4 . 1 1 9 9 SER C C 13 173.480 0.50 . 1 . . . . 9 Ser C . 16355 1 5 . 1 1 9 9 SER CA C 13 58.858 0.50 . 1 . . . . 9 Ser CA . 16355 1 6 . 1 1 9 9 SER CB C 13 64.020 0.50 . 1 . . . . 9 Ser CB . 16355 1 7 . 1 1 10 10 HIS H H 1 8.133 0.05 . 1 . . . . 10 His H . 16355 1 8 . 1 1 10 10 HIS HA H 1 5.113 0.05 . 1 . . . . 10 His HA . 16355 1 9 . 1 1 10 10 HIS HB2 H 1 3.081 0.05 . 2 . . . . 10 His HB2 . 16355 1 10 . 1 1 10 10 HIS HB3 H 1 3.007 0.05 . 2 . . . . 10 His HB3 . 16355 1 11 . 1 1 10 10 HIS C C 13 174.630 0.50 . 1 . . . . 10 His C . 16355 1 12 . 1 1 10 10 HIS CA C 13 55.222 0.50 . 1 . . . . 10 His CA . 16355 1 13 . 1 1 10 10 HIS CB C 13 31.123 0.50 . 1 . . . . 10 His CB . 16355 1 14 . 1 1 10 10 HIS N N 15 119.460 0.50 . 1 . . . . 10 His N . 16355 1 15 . 1 1 11 11 MET H H 1 8.788 0.05 . 1 . . . . 11 Met H . 16355 1 16 . 1 1 11 11 MET HA H 1 4.419 0.05 . 1 . . . . 11 Met HA . 16355 1 17 . 1 1 11 11 MET HB2 H 1 1.754 0.05 . 2 . . . . 11 Met HB2 . 16355 1 18 . 1 1 11 11 MET HB3 H 1 1.572 0.05 . 2 . . . . 11 Met HB3 . 16355 1 19 . 1 1 11 11 MET HG2 H 1 2.252 0.05 . 2 . . . . 11 Met HG2 . 16355 1 20 . 1 1 11 11 MET HG3 H 1 2.132 0.05 . 2 . . . . 11 Met HG3 . 16355 1 21 . 1 1 11 11 MET C C 13 173.440 0.50 . 1 . . . . 11 Met C . 16355 1 22 . 1 1 11 11 MET CA C 13 55.211 0.50 . 1 . . . . 11 Met CA . 16355 1 23 . 1 1 11 11 MET CB C 13 37.442 0.50 . 1 . . . . 11 Met CB . 16355 1 24 . 1 1 11 11 MET CG C 13 32.624 0.50 . 1 . . . . 11 Met CG . 16355 1 25 . 1 1 11 11 MET N N 15 120.938 0.50 . 1 . . . . 11 Met N . 16355 1 26 . 1 1 12 12 LYS H H 1 8.044 0.05 . 1 . . . . 12 Lys H . 16355 1 27 . 1 1 12 12 LYS HA H 1 5.065 0.05 . 1 . . . . 12 Lys HA . 16355 1 28 . 1 1 12 12 LYS HB2 H 1 1.601 0.05 . 2 . . . . 12 Lys HB2 . 16355 1 29 . 1 1 12 12 LYS HB3 H 1 1.515 0.05 . 2 . . . . 12 Lys HB3 . 16355 1 30 . 1 1 12 12 LYS HD2 H 1 1.584 0.05 . 2 . . . . 12 Lys HD2 . 16355 1 31 . 1 1 12 12 LYS HD3 H 1 1.584 0.05 . 2 . . . . 12 Lys HD3 . 16355 1 32 . 1 1 12 12 LYS HG2 H 1 1.26 0.05 . 2 . . . . 12 Lys HG2 . 16355 1 33 . 1 1 12 12 LYS HG3 H 1 1.16 0.05 . 2 . . . . 12 Lys HG3 . 16355 1 34 . 1 1 12 12 LYS C C 13 175.010 0.50 . 1 . . . . 12 Lys C . 16355 1 35 . 1 1 12 12 LYS CA C 13 55.048 0.50 . 1 . . . . 12 Lys CA . 16355 1 36 . 1 1 12 12 LYS CB C 13 34.549 0.50 . 1 . . . . 12 Lys CB . 16355 1 37 . 1 1 12 12 LYS CD C 13 29.372 0.50 . 1 . . . . 12 Lys CD . 16355 1 38 . 1 1 12 12 LYS CE C 13 41.738 0.50 . 1 . . . . 12 Lys CE . 16355 1 39 . 1 1 12 12 LYS CG C 13 24.979 0.50 . 1 . . . . 12 Lys CG . 16355 1 40 . 1 1 12 12 LYS N N 15 121.691 0.50 . 1 . . . . 12 Lys N . 16355 1 41 . 1 1 13 13 PHE H H 1 9.045 0.05 . 1 . . . . 13 Phe H . 16355 1 42 . 1 1 13 13 PHE HA H 1 4.758 0.05 . 1 . . . . 13 Phe HA . 16355 1 43 . 1 1 13 13 PHE HB2 H 1 2.989 0.05 . 2 . . . . 13 Phe HB2 . 16355 1 44 . 1 1 13 13 PHE HB3 H 1 2.406 0.05 . 2 . . . . 13 Phe HB3 . 16355 1 45 . 1 1 13 13 PHE HD1 H 1 7.02 0.05 . 2 . . . . 13 Phe HD1 . 16355 1 46 . 1 1 13 13 PHE HD2 H 1 7.02 0.05 . 2 . . . . 13 Phe HD2 . 16355 1 47 . 1 1 13 13 PHE HE1 H 1 7.026 0.05 . 2 . . . . 13 Phe HE1 . 16355 1 48 . 1 1 13 13 PHE C C 13 174.280 0.50 . 1 . . . . 13 Phe C . 16355 1 49 . 1 1 13 13 PHE CA C 13 56.904 0.50 . 1 . . . . 13 Phe CA . 16355 1 50 . 1 1 13 13 PHE CB C 13 43.225 0.50 . 1 . . . . 13 Phe CB . 16355 1 51 . 1 1 13 13 PHE CD1 C 13 134.06 0.50 . 2 . . . . 13 Phe CD1 . 16355 1 52 . 1 1 13 13 PHE CD2 C 13 134.06 0.50 . 2 . . . . 13 Phe CD2 . 16355 1 53 . 1 1 13 13 PHE CE1 C 13 131.5 0.50 . 2 . . . . 13 Phe CE1 . 16355 1 54 . 1 1 13 13 PHE CE2 C 13 131.5 0.50 . 2 . . . . 13 Phe CE2 . 16355 1 55 . 1 1 13 13 PHE N N 15 123.044 0.50 . 1 . . . . 13 Phe N . 16355 1 56 . 1 1 14 14 LEU H H 1 8.711 0.05 . 1 . . . . 14 Leu H . 16355 1 57 . 1 1 14 14 LEU HA H 1 4.574 0.05 . 1 . . . . 14 Leu HA . 16355 1 58 . 1 1 14 14 LEU HB2 H 1 1.787 0.05 . 2 . . . . 14 Leu HB2 . 16355 1 59 . 1 1 14 14 LEU HB3 H 1 1.381 0.05 . 2 . . . . 14 Leu HB3 . 16355 1 60 . 1 1 14 14 LEU HD11 H 1 0.853 0.05 . 2 . . . . 14 Leu HD1 . 16355 1 61 . 1 1 14 14 LEU HD12 H 1 0.853 0.05 . 2 . . . . 14 Leu HD1 . 16355 1 62 . 1 1 14 14 LEU HD13 H 1 0.853 0.05 . 2 . . . . 14 Leu HD1 . 16355 1 63 . 1 1 14 14 LEU HD21 H 1 0.7256 0.05 . 2 . . . . 14 Leu HD2 . 16355 1 64 . 1 1 14 14 LEU HD22 H 1 0.7256 0.05 . 2 . . . . 14 Leu HD2 . 16355 1 65 . 1 1 14 14 LEU HD23 H 1 0.7256 0.05 . 2 . . . . 14 Leu HD2 . 16355 1 66 . 1 1 14 14 LEU HG H 1 1.279 0.05 . 1 . . . . 14 Leu HG . 16355 1 67 . 1 1 14 14 LEU C C 13 175.610 0.50 . 1 . . . . 14 Leu C . 16355 1 68 . 1 1 14 14 LEU CA C 13 54.090 0.50 . 1 . . . . 14 Leu CA . 16355 1 69 . 1 1 14 14 LEU CB C 13 41.165 0.50 . 1 . . . . 14 Leu CB . 16355 1 70 . 1 1 14 14 LEU CD1 C 13 25.112 0.50 . 2 . . . . 14 Leu CD1 . 16355 1 71 . 1 1 14 14 LEU CD2 C 13 23.420 0.50 . 2 . . . . 14 Leu CD2 . 16355 1 72 . 1 1 14 14 LEU CG C 13 27.623 0.50 . 1 . . . . 14 Leu CG . 16355 1 73 . 1 1 14 14 LEU N N 15 124.039 0.50 . 1 . . . . 14 Leu N . 16355 1 74 . 1 1 15 15 VAL H H 1 8.892 0.05 . 1 . . . . 15 Val H . 16355 1 75 . 1 1 15 15 VAL HA H 1 3.691 0.05 . 1 . . . . 15 Val HA . 16355 1 76 . 1 1 15 15 VAL HB H 1 0.455 0.05 . 1 . . . . 15 Val HB . 16355 1 77 . 1 1 15 15 VAL HG11 H 1 0.464 0.05 . 2 . . . . 15 Val HG1 . 16355 1 78 . 1 1 15 15 VAL HG12 H 1 0.464 0.05 . 2 . . . . 15 Val HG1 . 16355 1 79 . 1 1 15 15 VAL HG13 H 1 0.464 0.05 . 2 . . . . 15 Val HG1 . 16355 1 80 . 1 1 15 15 VAL HG21 H 1 0.285 0.05 . 2 . . . . 15 Val HG2 . 16355 1 81 . 1 1 15 15 VAL HG22 H 1 0.285 0.05 . 2 . . . . 15 Val HG2 . 16355 1 82 . 1 1 15 15 VAL HG23 H 1 0.285 0.05 . 2 . . . . 15 Val HG2 . 16355 1 83 . 1 1 15 15 VAL C C 13 174.660 0.50 . 1 . . . . 15 Val C . 16355 1 84 . 1 1 15 15 VAL CA C 13 61.996 0.50 . 1 . . . . 15 Val CA . 16355 1 85 . 1 1 15 15 VAL CB C 13 31.177 0.50 . 1 . . . . 15 Val CB . 16355 1 86 . 1 1 15 15 VAL CG1 C 13 22.25 0.50 . 2 . . . . 15 Val CG1 . 16355 1 87 . 1 1 15 15 VAL CG2 C 13 22.1 0.50 . 2 . . . . 15 Val CG2 . 16355 1 88 . 1 1 15 15 VAL N N 15 130.031 0.50 . 1 . . . . 15 Val N . 16355 1 89 . 1 1 16 16 GLU H H 1 7.681 0.05 . 1 . . . . 16 Glu H . 16355 1 90 . 1 1 16 16 GLU HA H 1 4.416 0.05 . 1 . . . . 16 Glu HA . 16355 1 91 . 1 1 16 16 GLU HB2 H 1 2.047 0.05 . 2 . . . . 16 Glu HB2 . 16355 1 92 . 1 1 16 16 GLU HB3 H 1 1.909 0.05 . 2 . . . . 16 Glu HB3 . 16355 1 93 . 1 1 16 16 GLU HG2 H 1 2.233 0.05 . 2 . . . . 16 Glu HG2 . 16355 1 94 . 1 1 16 16 GLU HG3 H 1 1.987 0.05 . 2 . . . . 16 Glu HG3 . 16355 1 95 . 1 1 16 16 GLU C C 13 174.930 0.50 . 1 . . . . 16 Glu C . 16355 1 96 . 1 1 16 16 GLU CA C 13 54.993 0.50 . 1 . . . . 16 Glu CA . 16355 1 97 . 1 1 16 16 GLU CB C 13 30.624 0.50 . 1 . . . . 16 Glu CB . 16355 1 98 . 1 1 16 16 GLU CG C 13 35.728 0.50 . 1 . . . . 16 Glu CG . 16355 1 99 . 1 1 16 16 GLU N N 15 126.013 0.50 . 1 . . . . 16 Glu N . 16355 1 100 . 1 1 17 17 ASN H H 1 8.356 0.05 . 1 . . . . 17 Asn H . 16355 1 101 . 1 1 17 17 ASN HA H 1 5.203 0.05 . 1 . . . . 17 Asn HA . 16355 1 102 . 1 1 17 17 ASN HB2 H 1 3.172 0.05 . 2 . . . . 17 Asn HB2 . 16355 1 103 . 1 1 17 17 ASN HB3 H 1 2.418 0.05 . 2 . . . . 17 Asn HB3 . 16355 1 104 . 1 1 17 17 ASN HD21 H 1 7.579 0.05 . 2 . . . . 17 Asn HD21 . 16355 1 105 . 1 1 17 17 ASN HD22 H 1 6.346 0.05 . 2 . . . . 17 Asn HD22 . 16355 1 106 . 1 1 17 17 ASN C C 13 176.870 0.50 . 1 . . . . 17 Asn C . 16355 1 107 . 1 1 17 17 ASN CA C 13 51.718 0.50 . 1 . . . . 17 Asn CA . 16355 1 108 . 1 1 17 17 ASN CB C 13 38.934 0.50 . 1 . . . . 17 Asn CB . 16355 1 109 . 1 1 17 17 ASN N N 15 126.216 0.50 . 1 . . . . 17 Asn N . 16355 1 110 . 1 1 17 17 ASN ND2 N 15 108.5 0.50 . 1 . . . . 17 Asn ND2 . 16355 1 111 . 1 1 18 18 LEU H H 1 9.240 0.05 . 1 . . . . 18 Leu H . 16355 1 112 . 1 1 18 18 LEU HA H 1 4.204 0.05 . 1 . . . . 18 Leu HA . 16355 1 113 . 1 1 18 18 LEU HB2 H 1 1.861 0.05 . 2 . . . . 18 Leu HB2 . 16355 1 114 . 1 1 18 18 LEU HB3 H 1 1.699 0.05 . 2 . . . . 18 Leu HB3 . 16355 1 115 . 1 1 18 18 LEU HD11 H 1 0.852 0.05 . 2 . . . . 18 Leu HD1 . 16355 1 116 . 1 1 18 18 LEU HD12 H 1 0.852 0.05 . 2 . . . . 18 Leu HD1 . 16355 1 117 . 1 1 18 18 LEU HD13 H 1 0.852 0.05 . 2 . . . . 18 Leu HD1 . 16355 1 118 . 1 1 18 18 LEU HD21 H 1 0.808 0.05 . 2 . . . . 18 Leu HD2 . 16355 1 119 . 1 1 18 18 LEU HD22 H 1 0.808 0.05 . 2 . . . . 18 Leu HD2 . 16355 1 120 . 1 1 18 18 LEU HD23 H 1 0.808 0.05 . 2 . . . . 18 Leu HD2 . 16355 1 121 . 1 1 18 18 LEU HG H 1 1.818 0.05 . 1 . . . . 18 Leu HG . 16355 1 122 . 1 1 18 18 LEU C C 13 177.640 0.50 . 1 . . . . 18 Leu C . 16355 1 123 . 1 1 18 18 LEU CA C 13 57.187 0.50 . 1 . . . . 18 Leu CA . 16355 1 124 . 1 1 18 18 LEU CB C 13 40.901 0.50 . 1 . . . . 18 Leu CB . 16355 1 125 . 1 1 18 18 LEU CD1 C 13 25.310 0.50 . 2 . . . . 18 Leu CD1 . 16355 1 126 . 1 1 18 18 LEU CD2 C 13 22.523 0.50 . 2 . . . . 18 Leu CD2 . 16355 1 127 . 1 1 18 18 LEU CG C 13 27.900 0.50 . 1 . . . . 18 Leu CG . 16355 1 128 . 1 1 18 18 LEU N N 15 128.420 0.50 . 1 . . . . 18 Leu N . 16355 1 129 . 1 1 19 19 ASN H H 1 8.726 0.05 . 1 . . . . 19 Asn H . 16355 1 130 . 1 1 19 19 ASN HA H 1 4.838 0.05 . 1 . . . . 19 Asn HA . 16355 1 131 . 1 1 19 19 ASN HB2 H 1 2.983 0.05 . 2 . . . . 19 Asn HB2 . 16355 1 132 . 1 1 19 19 ASN HB3 H 1 2.755 0.05 . 2 . . . . 19 Asn HB3 . 16355 1 133 . 1 1 19 19 ASN HD21 H 1 7.643 0.05 . 2 . . . . 19 Asn HD21 . 16355 1 134 . 1 1 19 19 ASN HD22 H 1 6.876 0.05 . 2 . . . . 19 Asn HD22 . 16355 1 135 . 1 1 19 19 ASN C C 13 175.350 0.50 . 1 . . . . 19 Asn C . 16355 1 136 . 1 1 19 19 ASN CA C 13 53.026 0.50 . 1 . . . . 19 Asn CA . 16355 1 137 . 1 1 19 19 ASN CB C 13 39.270 0.50 . 1 . . . . 19 Asn CB . 16355 1 138 . 1 1 19 19 ASN N N 15 117.089 0.50 . 1 . . . . 19 Asn N . 16355 1 139 . 1 1 19 19 ASN ND2 N 15 110.6 0.50 . 1 . . . . 19 Asn ND2 . 16355 1 140 . 1 1 20 20 GLY H H 1 7.899 0.05 . 1 . . . . 20 Gly H . 16355 1 141 . 1 1 20 20 GLY HA2 H 1 4.217 0.05 . 2 . . . . 20 Gly HA2 . 16355 1 142 . 1 1 20 20 GLY HA3 H 1 3.977 0.05 . 2 . . . . 20 Gly HA3 . 16355 1 143 . 1 1 20 20 GLY C C 13 173.010 0.50 . 1 . . . . 20 Gly C . 16355 1 144 . 1 1 20 20 GLY CA C 13 46.072 0.50 . 1 . . . . 20 Gly CA . 16355 1 145 . 1 1 20 20 GLY N N 15 108.740 0.50 . 1 . . . . 20 Gly N . 16355 1 146 . 1 1 21 21 SER H H 1 8.403 0.05 . 1 . . . . 21 Ser H . 16355 1 147 . 1 1 21 21 SER HA H 1 4.779 0.05 . 1 . . . . 21 Ser HA . 16355 1 148 . 1 1 21 21 SER HB2 H 1 4.050 0.05 . 2 . . . . 21 Ser HB2 . 16355 1 149 . 1 1 21 21 SER HB3 H 1 4.050 0.05 . 2 . . . . 21 Ser HB3 . 16355 1 150 . 1 1 21 21 SER C C 13 174.030 0.50 . 1 . . . . 21 Ser C . 16355 1 151 . 1 1 21 21 SER CA C 13 58.309 0.50 . 1 . . . . 21 Ser CA . 16355 1 152 . 1 1 21 21 SER CB C 13 64.686 0.50 . 1 . . . . 21 Ser CB . 16355 1 153 . 1 1 21 21 SER N N 15 117.835 0.50 . 1 . . . . 21 Ser N . 16355 1 154 . 1 1 22 22 SER H H 1 8.719 0.05 . 1 . . . . 22 Ser H . 16355 1 155 . 1 1 22 22 SER HA H 1 5.183 0.05 . 1 . . . . 22 Ser HA . 16355 1 156 . 1 1 22 22 SER HB2 H 1 3.904 0.05 . 2 . . . . 22 Ser HB2 . 16355 1 157 . 1 1 22 22 SER HB3 H 1 3.707 0.05 . 2 . . . . 22 Ser HB3 . 16355 1 158 . 1 1 22 22 SER C C 13 173.360 0.50 . 1 . . . . 22 Ser C . 16355 1 159 . 1 1 22 22 SER CA C 13 58.467 0.50 . 1 . . . . 22 Ser CA . 16355 1 160 . 1 1 22 22 SER CB C 13 64.729 0.50 . 1 . . . . 22 Ser CB . 16355 1 161 . 1 1 22 22 SER N N 15 117.510 0.50 . 1 . . . . 22 Ser N . 16355 1 162 . 1 1 23 23 PHE H H 1 8.029 0.05 . 1 . . . . 23 Phe H . 16355 1 163 . 1 1 23 23 PHE HA H 1 4.979 0.05 . 1 . . . . 23 Phe HA . 16355 1 164 . 1 1 23 23 PHE HB2 H 1 3.091 0.05 . 2 . . . . 23 Phe HB2 . 16355 1 165 . 1 1 23 23 PHE HB3 H 1 2.993 0.05 . 2 . . . . 23 Phe HB3 . 16355 1 166 . 1 1 23 23 PHE HD1 H 1 7.042 0.05 . 2 . . . . 23 Phe HD1 . 16355 1 167 . 1 1 23 23 PHE HD2 H 1 7.042 0.05 . 2 . . . . 23 Phe HD2 . 16355 1 168 . 1 1 23 23 PHE HE1 H 1 7.098 0.05 . 2 . . . . 23 Phe HE1 . 16355 1 169 . 1 1 23 23 PHE HE2 H 1 7.098 0.05 . 2 . . . . 23 Phe HE2 . 16355 1 170 . 1 1 23 23 PHE C C 13 172.250 0.50 . 1 . . . . 23 Phe C . 16355 1 171 . 1 1 23 23 PHE CA C 13 55.813 0.50 . 1 . . . . 23 Phe CA . 16355 1 172 . 1 1 23 23 PHE CB C 13 40.838 0.50 . 1 . . . . 23 Phe CB . 16355 1 173 . 1 1 23 23 PHE CD1 C 13 133.1 0.50 . 2 . . . . 23 Phe CD1 . 16355 1 174 . 1 1 23 23 PHE CD2 C 13 133.1 0.50 . 2 . . . . 23 Phe CD2 . 16355 1 175 . 1 1 23 23 PHE CE1 C 13 131.4 0.50 . 2 . . . . 23 Phe CE1 . 16355 1 176 . 1 1 23 23 PHE CE2 C 13 131.4 0.50 . 2 . . . . 23 Phe CE2 . 16355 1 177 . 1 1 23 23 PHE N N 15 116.382 0.50 . 1 . . . . 23 Phe N . 16355 1 178 . 1 1 24 24 GLU H H 1 8.778 0.05 . 1 . . . . 24 Glu H . 16355 1 179 . 1 1 24 24 GLU HA H 1 5.154 0.05 . 1 . . . . 24 Glu HA . 16355 1 180 . 1 1 24 24 GLU HB2 H 1 1.989 0.05 . 2 . . . . 24 Glu HB2 . 16355 1 181 . 1 1 24 24 GLU HB3 H 1 1.884 0.05 . 2 . . . . 24 Glu HB3 . 16355 1 182 . 1 1 24 24 GLU HG2 H 1 2.258 0.05 . 2 . . . . 24 Glu HG2 . 16355 1 183 . 1 1 24 24 GLU HG3 H 1 2.064 0.05 . 2 . . . . 24 Glu HG3 . 16355 1 184 . 1 1 24 24 GLU C C 13 175.620 0.50 . 1 . . . . 24 Glu C . 16355 1 185 . 1 1 24 24 GLU CA C 13 55.667 0.50 . 1 . . . . 24 Glu CA . 16355 1 186 . 1 1 24 24 GLU CB C 13 31.848 0.50 . 1 . . . . 24 Glu CB . 16355 1 187 . 1 1 24 24 GLU CG C 13 37.492 0.50 . 1 . . . . 24 Glu CG . 16355 1 188 . 1 1 24 24 GLU N N 15 120.361 0.50 . 1 . . . . 24 Glu N . 16355 1 189 . 1 1 25 25 LEU H H 1 9.146 0.05 . 1 . . . . 25 Leu H . 16355 1 190 . 1 1 25 25 LEU HA H 1 4.752 0.05 . 1 . . . . 25 Leu HA . 16355 1 191 . 1 1 25 25 LEU HB2 H 1 1.686 0.05 . 2 . . . . 25 Leu HB2 . 16355 1 192 . 1 1 25 25 LEU HB3 H 1 1.362 0.05 . 2 . . . . 25 Leu HB3 . 16355 1 193 . 1 1 25 25 LEU HD11 H 1 1.068 0.05 . 2 . . . . 25 Leu HD1 . 16355 1 194 . 1 1 25 25 LEU HD12 H 1 1.068 0.05 . 2 . . . . 25 Leu HD1 . 16355 1 195 . 1 1 25 25 LEU HD13 H 1 1.068 0.05 . 2 . . . . 25 Leu HD1 . 16355 1 196 . 1 1 25 25 LEU HD21 H 1 1.068 0.05 . 2 . . . . 25 Leu HD2 . 16355 1 197 . 1 1 25 25 LEU HD22 H 1 1.068 0.05 . 2 . . . . 25 Leu HD2 . 16355 1 198 . 1 1 25 25 LEU HD23 H 1 1.068 0.05 . 2 . . . . 25 Leu HD2 . 16355 1 199 . 1 1 25 25 LEU HG H 1 0.773 0.05 . 1 . . . . 25 Leu HG . 16355 1 200 . 1 1 25 25 LEU C C 13 173.970 0.50 . 1 . . . . 25 Leu C . 16355 1 201 . 1 1 25 25 LEU CA C 13 54.083 0.50 . 1 . . . . 25 Leu CA . 16355 1 202 . 1 1 25 25 LEU CB C 13 48.245 0.50 . 1 . . . . 25 Leu CB . 16355 1 203 . 1 1 25 25 LEU CD1 C 13 23.37 0.50 . 2 . . . . 25 Leu CD1 . 16355 1 204 . 1 1 25 25 LEU CD2 C 13 23.37 0.50 . 2 . . . . 25 Leu CD2 . 16355 1 205 . 1 1 25 25 LEU CG C 13 26.837 0.50 . 1 . . . . 25 Leu CG . 16355 1 206 . 1 1 25 25 LEU N N 15 125.998 0.50 . 1 . . . . 25 Leu N . 16355 1 207 . 1 1 26 26 GLU H H 1 8.635 0.05 . 1 . . . . 26 Glu H . 16355 1 208 . 1 1 26 26 GLU HA H 1 5.264 0.05 . 1 . . . . 26 Glu HA . 16355 1 209 . 1 1 26 26 GLU HB2 H 1 1.949 0.05 . 2 . . . . 26 Glu HB2 . 16355 1 210 . 1 1 26 26 GLU HB3 H 1 1.883 0.05 . 2 . . . . 26 Glu HB3 . 16355 1 211 . 1 1 26 26 GLU HG2 H 1 2.179 0.05 . 2 . . . . 26 Glu HG2 . 16355 1 212 . 1 1 26 26 GLU HG3 H 1 1.997 0.05 . 2 . . . . 26 Glu HG3 . 16355 1 213 . 1 1 26 26 GLU C C 13 175.820 0.50 . 1 . . . . 26 Glu C . 16355 1 214 . 1 1 26 26 GLU CA C 13 55.038 0.50 . 1 . . . . 26 Glu CA . 16355 1 215 . 1 1 26 26 GLU CB C 13 31.572 0.50 . 1 . . . . 26 Glu CB . 16355 1 216 . 1 1 26 26 GLU CG C 13 37.011 0.50 . 1 . . . . 26 Glu CG . 16355 1 217 . 1 1 26 26 GLU N N 15 127.123 0.50 . 1 . . . . 26 Glu N . 16355 1 218 . 1 1 27 27 VAL H H 1 8.991 0.05 . 1 . . . . 27 Val H . 16355 1 219 . 1 1 27 27 VAL HA H 1 4.415 0.05 . 1 . . . . 27 Val HA . 16355 1 220 . 1 1 27 27 VAL HB H 1 2.238 0.05 . 1 . . . . 27 Val HB . 16355 1 221 . 1 1 27 27 VAL HG11 H 1 0.884 0.05 . 2 . . . . 27 Val HG1 . 16355 1 222 . 1 1 27 27 VAL HG12 H 1 0.884 0.05 . 2 . . . . 27 Val HG1 . 16355 1 223 . 1 1 27 27 VAL HG13 H 1 0.884 0.05 . 2 . . . . 27 Val HG1 . 16355 1 224 . 1 1 27 27 VAL HG21 H 1 0.8125 0.05 . 2 . . . . 27 Val HG2 . 16355 1 225 . 1 1 27 27 VAL HG22 H 1 0.8125 0.05 . 2 . . . . 27 Val HG2 . 16355 1 226 . 1 1 27 27 VAL HG23 H 1 0.8125 0.05 . 2 . . . . 27 Val HG2 . 16355 1 227 . 1 1 27 27 VAL C C 13 172.490 0.50 . 1 . . . . 27 Val C . 16355 1 228 . 1 1 27 27 VAL CA C 13 59.674 0.50 . 1 . . . . 27 Val CA . 16355 1 229 . 1 1 27 27 VAL CB C 13 35.304 0.50 . 1 . . . . 27 Val CB . 16355 1 230 . 1 1 27 27 VAL CG1 C 13 23.03 0.50 . 2 . . . . 27 Val CG1 . 16355 1 231 . 1 1 27 27 VAL CG2 C 13 20.621 0.50 . 2 . . . . 27 Val CG2 . 16355 1 232 . 1 1 27 27 VAL N N 15 119.211 0.50 . 1 . . . . 27 Val N . 16355 1 233 . 1 1 28 28 ASP H H 1 8.476 0.05 . 1 . . . . 28 Asp H . 16355 1 234 . 1 1 28 28 ASP HA H 1 5.249 0.05 . 1 . . . . 28 Asp HA . 16355 1 235 . 1 1 28 28 ASP HB2 H 1 2.728 0.05 . 2 . . . . 28 Asp HB2 . 16355 1 236 . 1 1 28 28 ASP HB3 H 1 2.362 0.05 . 2 . . . . 28 Asp HB3 . 16355 1 237 . 1 1 28 28 ASP C C 13 177.400 0.50 . 1 . . . . 28 Asp C . 16355 1 238 . 1 1 28 28 ASP CA C 13 52.056 0.50 . 1 . . . . 28 Asp CA . 16355 1 239 . 1 1 28 28 ASP CB C 13 44.901 0.50 . 1 . . . . 28 Asp CB . 16355 1 240 . 1 1 28 28 ASP N N 15 124.842 0.50 . 1 . . . . 28 Asp N . 16355 1 241 . 1 1 29 29 TYR H H 1 8.445 0.05 . 1 . . . . 29 Tyr H . 16355 1 242 . 1 1 29 29 TYR HA H 1 4.072 0.05 . 1 . . . . 29 Tyr HA . 16355 1 243 . 1 1 29 29 TYR HB2 H 1 3.169 0.05 . 2 . . . . 29 Tyr HB2 . 16355 1 244 . 1 1 29 29 TYR HB3 H 1 2.994 0.05 . 2 . . . . 29 Tyr HB3 . 16355 1 245 . 1 1 29 29 TYR HD1 H 1 7.04 0.05 . 2 . . . . 29 Tyr HD1 . 16355 1 246 . 1 1 29 29 TYR HD2 H 1 7.04 0.05 . 2 . . . . 29 Tyr HD2 . 16355 1 247 . 1 1 29 29 TYR HE1 H 1 6.78 0.05 . 2 . . . . 29 Tyr HE1 . 16355 1 248 . 1 1 29 29 TYR HE2 H 1 6.78 0.05 . 2 . . . . 29 Tyr HE2 . 16355 1 249 . 1 1 29 29 TYR C C 13 175.660 0.50 . 1 . . . . 29 Tyr C . 16355 1 250 . 1 1 29 29 TYR CA C 13 61.426 0.50 . 1 . . . . 29 Tyr CA . 16355 1 251 . 1 1 29 29 TYR CB C 13 38.010 0.50 . 1 . . . . 29 Tyr CB . 16355 1 252 . 1 1 29 29 TYR CD1 C 13 133.1 0.50 . 2 . . . . 29 Tyr CD1 . 16355 1 253 . 1 1 29 29 TYR CD2 C 13 133.1 0.50 . 2 . . . . 29 Tyr CD2 . 16355 1 254 . 1 1 29 29 TYR CE1 C 13 118.7 0.50 . 2 . . . . 29 Tyr CE1 . 16355 1 255 . 1 1 29 29 TYR CE2 C 13 118.7 0.50 . 2 . . . . 29 Tyr CE2 . 16355 1 256 . 1 1 29 29 TYR N N 15 124.260 0.50 . 1 . . . . 29 Tyr N . 16355 1 257 . 1 1 30 30 ARG H H 1 8.546 0.05 . 1 . . . . 30 Arg H . 16355 1 258 . 1 1 30 30 ARG HA H 1 4.197 0.05 . 1 . . . . 30 Arg HA . 16355 1 259 . 1 1 30 30 ARG HB2 H 1 1.909 0.05 . 2 . . . . 30 Arg HB2 . 16355 1 260 . 1 1 30 30 ARG HB3 H 1 1.633 0.05 . 2 . . . . 30 Arg HB3 . 16355 1 261 . 1 1 30 30 ARG HD2 H 1 3.096 0.05 . 2 . . . . 30 Arg HD2 . 16355 1 262 . 1 1 30 30 ARG HD3 H 1 3.048 0.05 . 2 . . . . 30 Arg HD3 . 16355 1 263 . 1 1 30 30 ARG HG2 H 1 1.452 0.05 . 2 . . . . 30 Arg HG2 . 16355 1 264 . 1 1 30 30 ARG HG3 H 1 1.024 0.05 . 2 . . . . 30 Arg HG3 . 16355 1 265 . 1 1 30 30 ARG C C 13 177.100 0.50 . 1 . . . . 30 Arg C . 16355 1 266 . 1 1 30 30 ARG CA C 13 55.649 0.50 . 1 . . . . 30 Arg CA . 16355 1 267 . 1 1 30 30 ARG CB C 13 29.860 0.50 . 1 . . . . 30 Arg CB . 16355 1 268 . 1 1 30 30 ARG CD C 13 43.206 0.50 . 1 . . . . 30 Arg CD . 16355 1 269 . 1 1 30 30 ARG CG C 13 26.873 0.50 . 1 . . . . 30 Arg CG . 16355 1 270 . 1 1 30 30 ARG N N 15 115.302 0.50 . 1 . . . . 30 Arg N . 16355 1 271 . 1 1 31 31 ASP H H 1 7.968 0.05 . 1 . . . . 31 Asp H . 16355 1 272 . 1 1 31 31 ASP HA H 1 4.490 0.05 . 1 . . . . 31 Asp HA . 16355 1 273 . 1 1 31 31 ASP HB2 H 1 2.927 0.05 . 2 . . . . 31 Asp HB2 . 16355 1 274 . 1 1 31 31 ASP HB3 H 1 2.594 0.05 . 2 . . . . 31 Asp HB3 . 16355 1 275 . 1 1 31 31 ASP C C 13 176.760 0.50 . 1 . . . . 31 Asp C . 16355 1 276 . 1 1 31 31 ASP CA C 13 55.684 0.50 . 1 . . . . 31 Asp CA . 16355 1 277 . 1 1 31 31 ASP CB C 13 40.876 0.50 . 1 . . . . 31 Asp CB . 16355 1 278 . 1 1 31 31 ASP N N 15 121.691 0.50 . 1 . . . . 31 Asp N . 16355 1 279 . 1 1 32 32 THR H H 1 7.287 0.05 . 1 . . . . 32 Thr H . 16355 1 280 . 1 1 32 32 THR HA H 1 4.791 0.05 . 1 . . . . 32 Thr HA . 16355 1 281 . 1 1 32 32 THR HG21 H 1 1.302 0.05 . 1 . . . . 32 Thr HG2 . 16355 1 282 . 1 1 32 32 THR HG22 H 1 1.302 0.05 . 1 . . . . 32 Thr HG2 . 16355 1 283 . 1 1 32 32 THR HG23 H 1 1.302 0.05 . 1 . . . . 32 Thr HG2 . 16355 1 284 . 1 1 32 32 THR C C 13 176.020 0.50 . 1 . . . . 32 Thr C . 16355 1 285 . 1 1 32 32 THR CA C 13 60.551 0.50 . 1 . . . . 32 Thr CA . 16355 1 286 . 1 1 32 32 THR CB C 13 71.23 0.50 . 1 . . . . 32 Thr CB . 16355 1 287 . 1 1 32 32 THR CG2 C 13 22.2 0.50 . 1 . . . . 32 Thr CG2 . 16355 1 288 . 1 1 32 32 THR N N 15 110.100 0.50 . 1 . . . . 32 Thr N . 16355 1 289 . 1 1 33 33 LEU H H 1 8.337 0.05 . 1 . . . . 33 Leu H . 16355 1 290 . 1 1 33 33 LEU HA H 1 3.989 0.05 . 1 . . . . 33 Leu HA . 16355 1 291 . 1 1 33 33 LEU HB2 H 1 1.785 0.05 . 2 . . . . 33 Leu HB2 . 16355 1 292 . 1 1 33 33 LEU HB3 H 1 1.663 0.05 . 2 . . . . 33 Leu HB3 . 16355 1 293 . 1 1 33 33 LEU HD11 H 1 0.876 0.05 . 2 . . . . 33 Leu HD1 . 16355 1 294 . 1 1 33 33 LEU HD12 H 1 0.876 0.05 . 2 . . . . 33 Leu HD1 . 16355 1 295 . 1 1 33 33 LEU HD13 H 1 0.876 0.05 . 2 . . . . 33 Leu HD1 . 16355 1 296 . 1 1 33 33 LEU HD21 H 1 0.694 0.05 . 2 . . . . 33 Leu HD2 . 16355 1 297 . 1 1 33 33 LEU HD22 H 1 0.694 0.05 . 2 . . . . 33 Leu HD2 . 16355 1 298 . 1 1 33 33 LEU HD23 H 1 0.694 0.05 . 2 . . . . 33 Leu HD2 . 16355 1 299 . 1 1 33 33 LEU HG H 1 1.813 0.05 . 1 . . . . 33 Leu HG . 16355 1 300 . 1 1 33 33 LEU CA C 13 56.959 0.50 . 1 . . . . 33 Leu CA . 16355 1 301 . 1 1 33 33 LEU CB C 13 40.246 0.50 . 1 . . . . 33 Leu CB . 16355 1 302 . 1 1 33 33 LEU CD1 C 13 25.058 0.50 . 2 . . . . 33 Leu CD1 . 16355 1 303 . 1 1 33 33 LEU CD2 C 13 22.280 0.50 . 2 . . . . 33 Leu CD2 . 16355 1 304 . 1 1 33 33 LEU CG C 13 28.120 0.50 . 1 . . . . 33 Leu CG . 16355 1 305 . 1 1 33 33 LEU N N 15 122.213 0.50 . 1 . . . . 33 Leu N . 16355 1 306 . 1 1 34 34 LEU H H 1 8.085 0.05 . 1 . . . . 34 Leu H . 16355 1 307 . 1 1 34 34 LEU HA H 1 4.056 0.05 . 1 . . . . 34 Leu HA . 16355 1 308 . 1 1 34 34 LEU HB2 H 1 1.759 0.05 . 2 . . . . 34 Leu HB2 . 16355 1 309 . 1 1 34 34 LEU HB3 H 1 1.453 0.05 . 2 . . . . 34 Leu HB3 . 16355 1 310 . 1 1 34 34 LEU HD11 H 1 0.882 0.05 . 2 . . . . 34 Leu HD1 . 16355 1 311 . 1 1 34 34 LEU HD12 H 1 0.882 0.05 . 2 . . . . 34 Leu HD1 . 16355 1 312 . 1 1 34 34 LEU HD13 H 1 0.882 0.05 . 2 . . . . 34 Leu HD1 . 16355 1 313 . 1 1 34 34 LEU HD21 H 1 0.934 0.05 . 2 . . . . 34 Leu HD2 . 16355 1 314 . 1 1 34 34 LEU HD22 H 1 0.934 0.05 . 2 . . . . 34 Leu HD2 . 16355 1 315 . 1 1 34 34 LEU HD23 H 1 0.934 0.05 . 2 . . . . 34 Leu HD2 . 16355 1 316 . 1 1 34 34 LEU HG H 1 1.407 0.05 . 1 . . . . 34 Leu HG . 16355 1 317 . 1 1 34 34 LEU C C 13 177.660 0.50 . 1 . . . . 34 Leu C . 16355 1 318 . 1 1 34 34 LEU CA C 13 58.727 0.50 . 1 . . . . 34 Leu CA . 16355 1 319 . 1 1 34 34 LEU CB C 13 41.422 0.50 . 1 . . . . 34 Leu CB . 16355 1 320 . 1 1 34 34 LEU CD1 C 13 25.645 0.50 . 2 . . . . 34 Leu CD1 . 16355 1 321 . 1 1 34 34 LEU CD2 C 13 22.389 0.50 . 2 . . . . 34 Leu CD2 . 16355 1 322 . 1 1 34 34 LEU CG C 13 27.148 0.50 . 1 . . . . 34 Leu CG . 16355 1 323 . 1 1 34 34 LEU N N 15 118.832 0.50 . 1 . . . . 34 Leu N . 16355 1 324 . 1 1 35 35 VAL H H 1 7.526 0.05 . 1 . . . . 35 Val H . 16355 1 325 . 1 1 35 35 VAL HA H 1 3.792 0.05 . 1 . . . . 35 Val HA . 16355 1 326 . 1 1 35 35 VAL HB H 1 2.393 0.05 . 1 . . . . 35 Val HB . 16355 1 327 . 1 1 35 35 VAL HG11 H 1 1.12 0.05 . 2 . . . . 35 Val HG1 . 16355 1 328 . 1 1 35 35 VAL HG12 H 1 1.12 0.05 . 2 . . . . 35 Val HG1 . 16355 1 329 . 1 1 35 35 VAL HG13 H 1 1.12 0.05 . 2 . . . . 35 Val HG1 . 16355 1 330 . 1 1 35 35 VAL HG21 H 1 0.988 0.05 . 2 . . . . 35 Val HG2 . 16355 1 331 . 1 1 35 35 VAL HG22 H 1 0.988 0.05 . 2 . . . . 35 Val HG2 . 16355 1 332 . 1 1 35 35 VAL HG23 H 1 0.988 0.05 . 2 . . . . 35 Val HG2 . 16355 1 333 . 1 1 35 35 VAL C C 13 178.710 0.50 . 1 . . . . 35 Val C . 16355 1 334 . 1 1 35 35 VAL CA C 13 66.622 0.50 . 1 . . . . 35 Val CA . 16355 1 335 . 1 1 35 35 VAL CB C 13 31.173 0.50 . 1 . . . . 35 Val CB . 16355 1 336 . 1 1 35 35 VAL CG1 C 13 23.547 0.50 . 2 . . . . 35 Val CG1 . 16355 1 337 . 1 1 35 35 VAL CG2 C 13 20.587 0.50 . 2 . . . . 35 Val CG2 . 16355 1 338 . 1 1 35 35 VAL N N 15 120.871 0.50 . 1 . . . . 35 Val N . 16355 1 339 . 1 1 36 36 VAL H H 1 8.297 0.05 . 1 . . . . 36 Val H . 16355 1 340 . 1 1 36 36 VAL HA H 1 3.416 0.05 . 1 . . . . 36 Val HA . 16355 1 341 . 1 1 36 36 VAL HB H 1 2.442 0.05 . 1 . . . . 36 Val HB . 16355 1 342 . 1 1 36 36 VAL HG11 H 1 1.015 0.05 . 2 . . . . 36 Val HG1 . 16355 1 343 . 1 1 36 36 VAL HG12 H 1 1.015 0.05 . 2 . . . . 36 Val HG1 . 16355 1 344 . 1 1 36 36 VAL HG13 H 1 1.015 0.05 . 2 . . . . 36 Val HG1 . 16355 1 345 . 1 1 36 36 VAL HG21 H 1 0.824 0.05 . 2 . . . . 36 Val HG2 . 16355 1 346 . 1 1 36 36 VAL HG22 H 1 0.824 0.05 . 2 . . . . 36 Val HG2 . 16355 1 347 . 1 1 36 36 VAL HG23 H 1 0.824 0.05 . 2 . . . . 36 Val HG2 . 16355 1 348 . 1 1 36 36 VAL C C 13 177.670 0.50 . 1 . . . . 36 Val C . 16355 1 349 . 1 1 36 36 VAL CA C 13 68.326 0.50 . 1 . . . . 36 Val CA . 16355 1 350 . 1 1 36 36 VAL CB C 13 30.716 0.50 . 1 . . . . 36 Val CB . 16355 1 351 . 1 1 36 36 VAL CG1 C 13 23.48 0.50 . 2 . . . . 36 Val CG1 . 16355 1 352 . 1 1 36 36 VAL CG2 C 13 21.96 0.50 . 2 . . . . 36 Val CG2 . 16355 1 353 . 1 1 36 36 VAL N N 15 120.635 0.50 . 1 . . . . 36 Val N . 16355 1 354 . 1 1 37 37 LYS H H 1 8.287 0.05 . 1 . . . . 37 Lys H . 16355 1 355 . 1 1 37 37 LYS HA H 1 4.637 0.05 . 1 . . . . 37 Lys HA . 16355 1 356 . 1 1 37 37 LYS HB2 H 1 2.060 0.05 . 2 . . . . 37 Lys HB2 . 16355 1 357 . 1 1 37 37 LYS HB3 H 1 1.672 0.05 . 2 . . . . 37 Lys HB3 . 16355 1 358 . 1 1 37 37 LYS HD2 H 1 1.647 0.05 . 2 . . . . 37 Lys HD2 . 16355 1 359 . 1 1 37 37 LYS HD3 H 1 1.647 0.05 . 2 . . . . 37 Lys HD3 . 16355 1 360 . 1 1 37 37 LYS HG2 H 1 1.804 0.05 . 2 . . . . 37 Lys HG2 . 16355 1 361 . 1 1 37 37 LYS HG3 H 1 1.538 0.05 . 2 . . . . 37 Lys HG3 . 16355 1 362 . 1 1 37 37 LYS C C 13 180.740 0.50 . 1 . . . . 37 Lys C . 16355 1 363 . 1 1 37 37 LYS CA C 13 59.615 0.50 . 1 . . . . 37 Lys CA . 16355 1 364 . 1 1 37 37 LYS CB C 13 33.745 0.50 . 1 . . . . 37 Lys CB . 16355 1 365 . 1 1 37 37 LYS CD C 13 31.048 0.50 . 1 . . . . 37 Lys CD . 16355 1 366 . 1 1 37 37 LYS CE C 13 42.124 0.50 . 1 . . . . 37 Lys CE . 16355 1 367 . 1 1 37 37 LYS CG C 13 26.257 0.50 . 1 . . . . 37 Lys CG . 16355 1 368 . 1 1 37 37 LYS N N 15 118.475 0.50 . 1 . . . . 37 Lys N . 16355 1 369 . 1 1 38 38 GLN H H 1 8.961 0.05 . 1 . . . . 38 Gln H . 16355 1 370 . 1 1 38 38 GLN HA H 1 3.853 0.05 . 1 . . . . 38 Gln HA . 16355 1 371 . 1 1 38 38 GLN HB2 H 1 2.560 0.05 . 2 . . . . 38 Gln HB2 . 16355 1 372 . 1 1 38 38 GLN HB3 H 1 1.910 0.05 . 2 . . . . 38 Gln HB3 . 16355 1 373 . 1 1 38 38 GLN HE21 H 1 7.509 0.05 . 2 . . . . 38 Gln HE21 . 16355 1 374 . 1 1 38 38 GLN HE22 H 1 6.622 0.05 . 2 . . . . 38 Gln HE22 . 16355 1 375 . 1 1 38 38 GLN HG2 H 1 2.699 0.05 . 2 . . . . 38 Gln HG2 . 16355 1 376 . 1 1 38 38 GLN HG3 H 1 2.385 0.05 . 2 . . . . 38 Gln HG3 . 16355 1 377 . 1 1 38 38 GLN C C 13 179.750 0.50 . 1 . . . . 38 Gln C . 16355 1 378 . 1 1 38 38 GLN CA C 13 59.363 0.50 . 1 . . . . 38 Gln CA . 16355 1 379 . 1 1 38 38 GLN CB C 13 27.501 0.50 . 1 . . . . 38 Gln CB . 16355 1 380 . 1 1 38 38 GLN CG C 13 34.56 0.50 . 1 . . . . 38 Gln CG . 16355 1 381 . 1 1 38 38 GLN N N 15 122.078 0.50 . 1 . . . . 38 Gln N . 16355 1 382 . 1 1 38 38 GLN NE2 N 15 109.9 0.50 . 1 . . . . 38 Gln NE2 . 16355 1 383 . 1 1 39 39 LYS H H 1 8.890 0.05 . 1 . . . . 39 Lys H . 16355 1 384 . 1 1 39 39 LYS HA H 1 3.997 0.05 . 1 . . . . 39 Lys HA . 16355 1 385 . 1 1 39 39 LYS HB2 H 1 2.386 0.05 . 2 . . . . 39 Lys HB2 . 16355 1 386 . 1 1 39 39 LYS HB3 H 1 1.893 0.05 . 2 . . . . 39 Lys HB3 . 16355 1 387 . 1 1 39 39 LYS HD2 H 1 1.57 0.05 . 2 . . . . 39 Lys HD2 . 16355 1 388 . 1 1 39 39 LYS HD3 H 1 1.57 0.05 . 2 . . . . 39 Lys HD3 . 16355 1 389 . 1 1 39 39 LYS HG2 H 1 1.894 0.05 . 2 . . . . 39 Lys HG2 . 16355 1 390 . 1 1 39 39 LYS HG3 H 1 1.994 0.05 . 2 . . . . 39 Lys HG3 . 16355 1 391 . 1 1 39 39 LYS C C 13 180.520 0.50 . 1 . . . . 39 Lys C . 16355 1 392 . 1 1 39 39 LYS CA C 13 60.656 0.50 . 1 . . . . 39 Lys CA . 16355 1 393 . 1 1 39 39 LYS CB C 13 33.038 0.50 . 1 . . . . 39 Lys CB . 16355 1 394 . 1 1 39 39 LYS CD C 13 30.778 0.50 . 1 . . . . 39 Lys CD . 16355 1 395 . 1 1 39 39 LYS CE C 13 42.034 0.50 . 1 . . . . 39 Lys CE . 16355 1 396 . 1 1 39 39 LYS CG C 13 27.508 0.50 . 1 . . . . 39 Lys CG . 16355 1 397 . 1 1 39 39 LYS N N 15 123.410 0.50 . 1 . . . . 39 Lys N . 16355 1 398 . 1 1 40 40 ILE H H 1 8.323 0.05 . 1 . . . . 40 Ile H . 16355 1 399 . 1 1 40 40 ILE HA H 1 3.441 0.05 . 1 . . . . 40 Ile HA . 16355 1 400 . 1 1 40 40 ILE HB H 1 2.448 0.05 . 1 . . . . 40 Ile HB . 16355 1 401 . 1 1 40 40 ILE HD11 H 1 0.962 0.05 . 1 . . . . 40 Ile HD1 . 16355 1 402 . 1 1 40 40 ILE HD12 H 1 0.962 0.05 . 1 . . . . 40 Ile HD1 . 16355 1 403 . 1 1 40 40 ILE HD13 H 1 0.962 0.05 . 1 . . . . 40 Ile HD1 . 16355 1 404 . 1 1 40 40 ILE HG12 H 1 2.234 0.05 . 2 . . . . 40 Ile HG12 . 16355 1 405 . 1 1 40 40 ILE HG13 H 1 1.01 0.05 . 2 . . . . 40 Ile HG13 . 16355 1 406 . 1 1 40 40 ILE HG21 H 1 0.599 0.05 . 1 . . . . 40 Ile HG2 . 16355 1 407 . 1 1 40 40 ILE HG22 H 1 0.599 0.05 . 1 . . . . 40 Ile HG2 . 16355 1 408 . 1 1 40 40 ILE HG23 H 1 0.599 0.05 . 1 . . . . 40 Ile HG2 . 16355 1 409 . 1 1 40 40 ILE C C 13 177.690 0.50 . 1 . . . . 40 Ile C . 16355 1 410 . 1 1 40 40 ILE CA C 13 66.207 0.50 . 1 . . . . 40 Ile CA . 16355 1 411 . 1 1 40 40 ILE CB C 13 36.796 0.50 . 1 . . . . 40 Ile CB . 16355 1 412 . 1 1 40 40 ILE CD1 C 13 13.731 0.50 . 1 . . . . 40 Ile CD1 . 16355 1 413 . 1 1 40 40 ILE CG1 C 13 30.905 0.50 . 1 . . . . 40 Ile CG1 . 16355 1 414 . 1 1 40 40 ILE CG2 C 13 16.854 0.50 . 1 . . . . 40 Ile CG2 . 16355 1 415 . 1 1 40 40 ILE N N 15 123.462 0.50 . 1 . . . . 40 Ile N . 16355 1 416 . 1 1 41 41 GLU H H 1 8.765 0.05 . 1 . . . . 41 Glu H . 16355 1 417 . 1 1 41 41 GLU HA H 1 3.884 0.05 . 1 . . . . 41 Glu HA . 16355 1 418 . 1 1 41 41 GLU HB2 H 1 2.163 0.05 . 2 . . . . 41 Glu HB2 . 16355 1 419 . 1 1 41 41 GLU HB3 H 1 2.077 0.05 . 2 . . . . 41 Glu HB3 . 16355 1 420 . 1 1 41 41 GLU HG2 H 1 2.032 0.05 . 2 . . . . 41 Glu HG2 . 16355 1 421 . 1 1 41 41 GLU HG3 H 1 2.032 0.05 . 2 . . . . 41 Glu HG3 . 16355 1 422 . 1 1 41 41 GLU CA C 13 60.561 0.50 . 1 . . . . 41 Glu CA . 16355 1 423 . 1 1 41 41 GLU CB C 13 29.692 0.50 . 1 . . . . 41 Glu CB . 16355 1 424 . 1 1 41 41 GLU CG C 13 36.95 0.50 . 1 . . . . 41 Glu CG . 16355 1 425 . 1 1 41 41 GLU N N 15 123.640 0.50 . 1 . . . . 41 Glu N . 16355 1 426 . 1 1 42 42 ARG H H 1 8.076 0.05 . 1 . . . . 42 Arg H . 16355 1 427 . 1 1 42 42 ARG HA H 1 3.977 0.05 . 1 . . . . 42 Arg HA . 16355 1 428 . 1 1 42 42 ARG HB2 H 1 1.893 0.05 . 2 . . . . 42 Arg HB2 . 16355 1 429 . 1 1 42 42 ARG HB3 H 1 1.834 0.05 . 2 . . . . 42 Arg HB3 . 16355 1 430 . 1 1 42 42 ARG HD2 H 1 3.211 0.05 . 2 . . . . 42 Arg HD2 . 16355 1 431 . 1 1 42 42 ARG HD3 H 1 3.211 0.05 . 2 . . . . 42 Arg HD3 . 16355 1 432 . 1 1 42 42 ARG C C 13 177.150 0.50 . 1 . . . . 42 Arg C . 16355 1 433 . 1 1 42 42 ARG CA C 13 59.058 0.50 . 1 . . . . 42 Arg CA . 16355 1 434 . 1 1 42 42 ARG CB C 13 30.522 0.50 . 1 . . . . 42 Arg CB . 16355 1 435 . 1 1 42 42 ARG CD C 13 43.450 0.50 . 1 . . . . 42 Arg CD . 16355 1 436 . 1 1 42 42 ARG CG C 13 27.887 0.50 . 1 . . . . 42 Arg CG . 16355 1 437 . 1 1 42 42 ARG N N 15 118.500 0.50 . 1 . . . . 42 Arg N . 16355 1 438 . 1 1 43 43 SER H H 1 7.678 0.05 . 1 . . . . 43 Ser H . 16355 1 439 . 1 1 43 43 SER HA H 1 4.309 0.05 . 1 . . . . 43 Ser HA . 16355 1 440 . 1 1 43 43 SER HB2 H 1 3.943 0.05 . 2 . . . . 43 Ser HB2 . 16355 1 441 . 1 1 43 43 SER HB3 H 1 3.845 0.05 . 2 . . . . 43 Ser HB3 . 16355 1 442 . 1 1 43 43 SER C C 13 175.660 0.50 . 1 . . . . 43 Ser C . 16355 1 443 . 1 1 43 43 SER CA C 13 59.368 0.50 . 1 . . . . 43 Ser CA . 16355 1 444 . 1 1 43 43 SER CB C 13 63.853 0.50 . 1 . . . . 43 Ser CB . 16355 1 445 . 1 1 43 43 SER N N 15 109.702 0.50 . 1 . . . . 43 Ser N . 16355 1 446 . 1 1 44 44 GLN H H 1 8.539 0.05 . 1 . . . . 44 Gln H . 16355 1 447 . 1 1 44 44 GLN HA H 1 4.016 0.05 . 1 . . . . 44 Gln HA . 16355 1 448 . 1 1 44 44 GLN HB2 H 1 1.850 0.05 . 2 . . . . 44 Gln HB2 . 16355 1 449 . 1 1 44 44 GLN HB3 H 1 1.309 0.05 . 2 . . . . 44 Gln HB3 . 16355 1 450 . 1 1 44 44 GLN HE21 H 1 7.073 0.05 . 2 . . . . 44 Gln HE21 . 16355 1 451 . 1 1 44 44 GLN HE22 H 1 6.984 0.05 . 2 . . . . 44 Gln HE22 . 16355 1 452 . 1 1 44 44 GLN HG2 H 1 1.512 0.05 . 2 . . . . 44 Gln HG2 . 16355 1 453 . 1 1 44 44 GLN HG3 H 1 0.312 0.05 . 2 . . . . 44 Gln HG3 . 16355 1 454 . 1 1 44 44 GLN C C 13 175.860 0.50 . 1 . . . . 44 Gln C . 16355 1 455 . 1 1 44 44 GLN CA C 13 53.760 0.50 . 1 . . . . 44 Gln CA . 16355 1 456 . 1 1 44 44 GLN CB C 13 30.206 0.50 . 1 . . . . 44 Gln CB . 16355 1 457 . 1 1 44 44 GLN CG C 13 31.973 0.50 . 1 . . . . 44 Gln CG . 16355 1 458 . 1 1 44 44 GLN N N 15 115.380 0.50 . 1 . . . . 44 Gln N . 16355 1 459 . 1 1 44 44 GLN NE2 N 15 115.9 0.50 . 1 . . . . 44 Gln NE2 . 16355 1 460 . 1 1 45 45 HIS H H 1 7.709 0.05 . 1 . . . . 45 His H . 16355 1 461 . 1 1 45 45 HIS HA H 1 4.488 0.05 . 1 . . . . 45 His HA . 16355 1 462 . 1 1 45 45 HIS HB2 H 1 3.481 0.05 . 2 . . . . 45 His HB2 . 16355 1 463 . 1 1 45 45 HIS HB3 H 1 3.227 0.05 . 2 . . . . 45 His HB3 . 16355 1 464 . 1 1 45 45 HIS HD2 H 1 6.993 0.05 . 1 . . . . 45 His HD2 . 16355 1 465 . 1 1 45 45 HIS HE1 H 1 8.024 0.05 . 1 . . . . 45 His HE1 . 16355 1 466 . 1 1 45 45 HIS C C 13 173.800 0.50 . 1 . . . . 45 His C . 16355 1 467 . 1 1 45 45 HIS CA C 13 56.146 0.50 . 1 . . . . 45 His CA . 16355 1 468 . 1 1 45 45 HIS CB C 13 25.720 0.50 . 1 . . . . 45 His CB . 16355 1 469 . 1 1 45 45 HIS CD2 C 13 119.5 0.50 . 1 . . . . 45 His CD2 . 16355 1 470 . 1 1 45 45 HIS CE1 C 13 137.8 0.50 . 1 . . . . 45 His CE1 . 16355 1 471 . 1 1 45 45 HIS N N 15 113.961 0.50 . 1 . . . . 45 His N . 16355 1 472 . 1 1 46 46 ILE H H 1 6.131 0.05 . 1 . . . . 46 Ile H . 16355 1 473 . 1 1 46 46 ILE HA H 1 4.505 0.05 . 1 . . . . 46 Ile HA . 16355 1 474 . 1 1 46 46 ILE HB H 1 1.241 0.05 . 1 . . . . 46 Ile HB . 16355 1 475 . 1 1 46 46 ILE HD11 H 1 0.593 0.05 . 1 . . . . 46 Ile HD1 . 16355 1 476 . 1 1 46 46 ILE HD12 H 1 0.593 0.05 . 1 . . . . 46 Ile HD1 . 16355 1 477 . 1 1 46 46 ILE HD13 H 1 0.593 0.05 . 1 . . . . 46 Ile HD1 . 16355 1 478 . 1 1 46 46 ILE HG12 H 1 1.335 0.05 . 2 . . . . 46 Ile HG12 . 16355 1 479 . 1 1 46 46 ILE HG13 H 1 0.92 0.05 . 2 . . . . 46 Ile HG13 . 16355 1 480 . 1 1 46 46 ILE HG21 H 1 0.856 0.05 . 1 . . . . 46 Ile HG2 . 16355 1 481 . 1 1 46 46 ILE HG22 H 1 0.856 0.05 . 1 . . . . 46 Ile HG2 . 16355 1 482 . 1 1 46 46 ILE HG23 H 1 0.856 0.05 . 1 . . . . 46 Ile HG2 . 16355 1 483 . 1 1 46 46 ILE CA C 13 57.589 0.50 . 1 . . . . 46 Ile CA . 16355 1 484 . 1 1 46 46 ILE CB C 13 41.226 0.50 . 1 . . . . 46 Ile CB . 16355 1 485 . 1 1 46 46 ILE CD1 C 13 14.13 0.50 . 1 . . . . 46 Ile CD1 . 16355 1 486 . 1 1 46 46 ILE CG1 C 13 26.42 0.50 . 1 . . . . 46 Ile CG1 . 16355 1 487 . 1 1 46 46 ILE CG2 C 13 18.41 0.50 . 1 . . . . 46 Ile CG2 . 16355 1 488 . 1 1 46 46 ILE N N 15 119.646 0.50 . 1 . . . . 46 Ile N . 16355 1 489 . 1 1 47 47 PRO HA H 1 4.555 0.05 . 1 . . . . 47 Pro HA . 16355 1 490 . 1 1 47 47 PRO HB2 H 1 2.415 0.05 . 2 . . . . 47 Pro HB2 . 16355 1 491 . 1 1 47 47 PRO HB3 H 1 1.734 0.05 . 2 . . . . 47 Pro HB3 . 16355 1 492 . 1 1 47 47 PRO HD2 H 1 4.08 0.05 . 2 . . . . 47 Pro HD2 . 16355 1 493 . 1 1 47 47 PRO HD3 H 1 3.526 0.05 . 2 . . . . 47 Pro HD3 . 16355 1 494 . 1 1 47 47 PRO HG2 H 1 2.007 0.05 . 2 . . . . 47 Pro HG2 . 16355 1 495 . 1 1 47 47 PRO HG3 H 1 2.007 0.05 . 2 . . . . 47 Pro HG3 . 16355 1 496 . 1 1 47 47 PRO C C 13 178.470 0.50 . 1 . . . . 47 Pro C . 16355 1 497 . 1 1 47 47 PRO CA C 13 62.872 0.50 . 1 . . . . 47 Pro CA . 16355 1 498 . 1 1 47 47 PRO CB C 13 32.486 0.50 . 1 . . . . 47 Pro CB . 16355 1 499 . 1 1 47 47 PRO CD C 13 51.053 0.50 . 1 . . . . 47 Pro CD . 16355 1 500 . 1 1 47 47 PRO CG C 13 28.066 0.50 . 1 . . . . 47 Pro CG . 16355 1 501 . 1 1 48 48 VAL H H 1 8.387 0.05 . 1 . . . . 48 Val H . 16355 1 502 . 1 1 48 48 VAL HA H 1 3.641 0.05 . 1 . . . . 48 Val HA . 16355 1 503 . 1 1 48 48 VAL HB H 1 1.990 0.05 . 1 . . . . 48 Val HB . 16355 1 504 . 1 1 48 48 VAL HG11 H 1 0.885 0.05 . 2 . . . . 48 Val HG1 . 16355 1 505 . 1 1 48 48 VAL HG12 H 1 0.885 0.05 . 2 . . . . 48 Val HG1 . 16355 1 506 . 1 1 48 48 VAL HG13 H 1 0.885 0.05 . 2 . . . . 48 Val HG1 . 16355 1 507 . 1 1 48 48 VAL HG21 H 1 0.885 0.05 . 2 . . . . 48 Val HG2 . 16355 1 508 . 1 1 48 48 VAL HG22 H 1 0.885 0.05 . 2 . . . . 48 Val HG2 . 16355 1 509 . 1 1 48 48 VAL HG23 H 1 0.885 0.05 . 2 . . . . 48 Val HG2 . 16355 1 510 . 1 1 48 48 VAL C C 13 178.920 0.50 . 1 . . . . 48 Val C . 16355 1 511 . 1 1 48 48 VAL CA C 13 67.084 0.50 . 1 . . . . 48 Val CA . 16355 1 512 . 1 1 48 48 VAL CB C 13 32.290 0.50 . 1 . . . . 48 Val CB . 16355 1 513 . 1 1 48 48 VAL CG1 C 13 21.880 0.50 . 2 . . . . 48 Val CG1 . 16355 1 514 . 1 1 48 48 VAL CG2 C 13 21.88 0.50 . 2 . . . . 48 Val CG2 . 16355 1 515 . 1 1 48 48 VAL N N 15 123.732 0.50 . 1 . . . . 48 Val N . 16355 1 516 . 1 1 49 49 SER H H 1 8.562 0.05 . 1 . . . . 49 Ser H . 16355 1 517 . 1 1 49 49 SER HA H 1 4.170 0.05 . 1 . . . . 49 Ser HA . 16355 1 518 . 1 1 49 49 SER HB2 H 1 3.974 0.05 . 2 . . . . 49 Ser HB2 . 16355 1 519 . 1 1 49 49 SER HB3 H 1 3.904 0.05 . 2 . . . . 49 Ser HB3 . 16355 1 520 . 1 1 49 49 SER C C 13 175.180 0.50 . 1 . . . . 49 Ser C . 16355 1 521 . 1 1 49 49 SER CA C 13 60.412 0.50 . 1 . . . . 49 Ser CA . 16355 1 522 . 1 1 49 49 SER CB C 13 62.523 0.50 . 1 . . . . 49 Ser CB . 16355 1 523 . 1 1 49 49 SER N N 15 112.133 0.50 . 1 . . . . 49 Ser N . 16355 1 524 . 1 1 50 50 LYS H H 1 7.726 0.05 . 1 . . . . 50 Lys H . 16355 1 525 . 1 1 50 50 LYS HA H 1 4.517 0.05 . 1 . . . . 50 Lys HA . 16355 1 526 . 1 1 50 50 LYS HB2 H 1 2.350 0.05 . 2 . . . . 50 Lys HB2 . 16355 1 527 . 1 1 50 50 LYS HB3 H 1 1.630 0.05 . 2 . . . . 50 Lys HB3 . 16355 1 528 . 1 1 50 50 LYS HD2 H 1 1.566 0.05 . 2 . . . . 50 Lys HD2 . 16355 1 529 . 1 1 50 50 LYS HD3 H 1 1.494 0.05 . 2 . . . . 50 Lys HD3 . 16355 1 530 . 1 1 50 50 LYS C C 13 175.950 0.50 . 1 . . . . 50 Lys C . 16355 1 531 . 1 1 50 50 LYS CA C 13 55.375 0.50 . 1 . . . . 50 Lys CA . 16355 1 532 . 1 1 50 50 LYS CB C 13 32.707 0.50 . 1 . . . . 50 Lys CB . 16355 1 533 . 1 1 50 50 LYS CD C 13 28.482 0.50 . 1 . . . . 50 Lys CD . 16355 1 534 . 1 1 50 50 LYS CE C 13 42.394 0.50 . 1 . . . . 50 Lys CE . 16355 1 535 . 1 1 50 50 LYS CG C 13 25.478 0.50 . 1 . . . . 50 Lys CG . 16355 1 536 . 1 1 50 50 LYS N N 15 119.050 0.50 . 1 . . . . 50 Lys N . 16355 1 537 . 1 1 51 51 GLN H H 1 7.403 0.05 . 1 . . . . 51 Gln H . 16355 1 538 . 1 1 51 51 GLN HA H 1 4.342 0.05 . 1 . . . . 51 Gln HA . 16355 1 539 . 1 1 51 51 GLN HB2 H 1 1.982 0.05 . 2 . . . . 51 Gln HB2 . 16355 1 540 . 1 1 51 51 GLN HB3 H 1 1.982 0.05 . 2 . . . . 51 Gln HB3 . 16355 1 541 . 1 1 51 51 GLN HE21 H 1 6.581 0.05 . 2 . . . . 51 Gln HE21 . 16355 1 542 . 1 1 51 51 GLN HE22 H 1 6.265 0.05 . 2 . . . . 51 Gln HE22 . 16355 1 543 . 1 1 51 51 GLN HG2 H 1 2.656 0.05 . 2 . . . . 51 Gln HG2 . 16355 1 544 . 1 1 51 51 GLN HG3 H 1 2.656 0.05 . 2 . . . . 51 Gln HG3 . 16355 1 545 . 1 1 51 51 GLN C C 13 176.540 0.50 . 1 . . . . 51 Gln C . 16355 1 546 . 1 1 51 51 GLN CA C 13 56.990 0.50 . 1 . . . . 51 Gln CA . 16355 1 547 . 1 1 51 51 GLN CB C 13 32.016 0.50 . 1 . . . . 51 Gln CB . 16355 1 548 . 1 1 51 51 GLN CG C 13 33.262 0.50 . 1 . . . . 51 Gln CG . 16355 1 549 . 1 1 51 51 GLN N N 15 118.895 0.50 . 1 . . . . 51 Gln N . 16355 1 550 . 1 1 51 51 GLN NE2 N 15 104.3 0.50 . 1 . . . . 51 Gln NE2 . 16355 1 551 . 1 1 52 52 THR H H 1 8.750 0.05 . 1 . . . . 52 Thr H . 16355 1 552 . 1 1 52 52 THR HA H 1 4.422 0.05 . 1 . . . . 52 Thr HA . 16355 1 553 . 1 1 52 52 THR HB H 1 4.069 0.05 . 1 . . . . 52 Thr HB . 16355 1 554 . 1 1 52 52 THR HG21 H 1 1.121 0.05 . 1 . . . . 52 Thr HG2 . 16355 1 555 . 1 1 52 52 THR HG22 H 1 1.121 0.05 . 1 . . . . 52 Thr HG2 . 16355 1 556 . 1 1 52 52 THR HG23 H 1 1.121 0.05 . 1 . . . . 52 Thr HG2 . 16355 1 557 . 1 1 52 52 THR C C 13 172.490 0.50 . 1 . . . . 52 Thr C . 16355 1 558 . 1 1 52 52 THR CA C 13 62.834 0.50 . 1 . . . . 52 Thr CA . 16355 1 559 . 1 1 52 52 THR CB C 13 70.566 0.50 . 1 . . . . 52 Thr CB . 16355 1 560 . 1 1 52 52 THR CG2 C 13 21.7 0.50 . 1 . . . . 52 Thr CG2 . 16355 1 561 . 1 1 52 52 THR N N 15 120.071 0.50 . 1 . . . . 52 Thr N . 16355 1 562 . 1 1 53 53 LEU H H 1 9.059 0.05 . 1 . . . . 53 Leu H . 16355 1 563 . 1 1 53 53 LEU HA H 1 4.887 0.05 . 1 . . . . 53 Leu HA . 16355 1 564 . 1 1 53 53 LEU HB2 H 1 1.557 0.05 . 2 . . . . 53 Leu HB2 . 16355 1 565 . 1 1 53 53 LEU HB3 H 1 1.241 0.05 . 2 . . . . 53 Leu HB3 . 16355 1 566 . 1 1 53 53 LEU HD11 H 1 0.756 0.05 . 2 . . . . 53 Leu HD1 . 16355 1 567 . 1 1 53 53 LEU HD12 H 1 0.756 0.05 . 2 . . . . 53 Leu HD1 . 16355 1 568 . 1 1 53 53 LEU HD13 H 1 0.756 0.05 . 2 . . . . 53 Leu HD1 . 16355 1 569 . 1 1 53 53 LEU HD21 H 1 0.700 0.05 . 2 . . . . 53 Leu HD2 . 16355 1 570 . 1 1 53 53 LEU HD22 H 1 0.700 0.05 . 2 . . . . 53 Leu HD2 . 16355 1 571 . 1 1 53 53 LEU HD23 H 1 0.700 0.05 . 2 . . . . 53 Leu HD2 . 16355 1 572 . 1 1 53 53 LEU HG H 1 1.48 0.05 . 1 . . . . 53 Leu HG . 16355 1 573 . 1 1 53 53 LEU C C 13 174.370 0.50 . 1 . . . . 53 Leu C . 16355 1 574 . 1 1 53 53 LEU CA C 13 53.999 0.50 . 1 . . . . 53 Leu CA . 16355 1 575 . 1 1 53 53 LEU CB C 13 44.319 0.50 . 1 . . . . 53 Leu CB . 16355 1 576 . 1 1 53 53 LEU CD1 C 13 25.922 0.50 . 2 . . . . 53 Leu CD1 . 16355 1 577 . 1 1 53 53 LEU CD2 C 13 23.912 0.50 . 2 . . . . 53 Leu CD2 . 16355 1 578 . 1 1 53 53 LEU CG C 13 27.589 0.50 . 1 . . . . 53 Leu CG . 16355 1 579 . 1 1 53 53 LEU N N 15 128.640 0.50 . 1 . . . . 53 Leu N . 16355 1 580 . 1 1 54 54 ILE H H 1 8.636 0.05 . 1 . . . . 54 Ile H . 16355 1 581 . 1 1 54 54 ILE HA H 1 4.501 0.05 . 1 . . . . 54 Ile HA . 16355 1 582 . 1 1 54 54 ILE HB H 1 1.618 0.05 . 1 . . . . 54 Ile HB . 16355 1 583 . 1 1 54 54 ILE HD11 H 1 0.679 0.05 . 1 . . . . 54 Ile HD1 . 16355 1 584 . 1 1 54 54 ILE HD12 H 1 0.679 0.05 . 1 . . . . 54 Ile HD1 . 16355 1 585 . 1 1 54 54 ILE HD13 H 1 0.679 0.05 . 1 . . . . 54 Ile HD1 . 16355 1 586 . 1 1 54 54 ILE HG12 H 1 1.359 0.05 . 2 . . . . 54 Ile HG12 . 16355 1 587 . 1 1 54 54 ILE HG13 H 1 0.769 0.05 . 2 . . . . 54 Ile HG13 . 16355 1 588 . 1 1 54 54 ILE HG21 H 1 0.565 0.05 . 1 . . . . 54 Ile HG2 . 16355 1 589 . 1 1 54 54 ILE HG22 H 1 0.565 0.05 . 1 . . . . 54 Ile HG2 . 16355 1 590 . 1 1 54 54 ILE HG23 H 1 0.565 0.05 . 1 . . . . 54 Ile HG2 . 16355 1 591 . 1 1 54 54 ILE C C 13 175.770 0.50 . 1 . . . . 54 Ile C . 16355 1 592 . 1 1 54 54 ILE CA C 13 60.579 0.50 . 1 . . . . 54 Ile CA . 16355 1 593 . 1 1 54 54 ILE CB C 13 39.680 0.50 . 1 . . . . 54 Ile CB . 16355 1 594 . 1 1 54 54 ILE CD1 C 13 14.645 0.50 . 1 . . . . 54 Ile CD1 . 16355 1 595 . 1 1 54 54 ILE CG1 C 13 28.140 0.50 . 1 . . . . 54 Ile CG1 . 16355 1 596 . 1 1 54 54 ILE CG2 C 13 18.179 0.50 . 1 . . . . 54 Ile CG2 . 16355 1 597 . 1 1 54 54 ILE N N 15 123.187 0.50 . 1 . . . . 54 Ile N . 16355 1 598 . 1 1 55 55 VAL H H 1 8.984 0.05 . 1 . . . . 55 Val H . 16355 1 599 . 1 1 55 55 VAL HA H 1 4.670 0.05 . 1 . . . . 55 Val HA . 16355 1 600 . 1 1 55 55 VAL HB H 1 1.959 0.05 . 1 . . . . 55 Val HB . 16355 1 601 . 1 1 55 55 VAL HG11 H 1 0.777 0.05 . 2 . . . . 55 Val HG1 . 16355 1 602 . 1 1 55 55 VAL HG12 H 1 0.777 0.05 . 2 . . . . 55 Val HG1 . 16355 1 603 . 1 1 55 55 VAL HG13 H 1 0.777 0.05 . 2 . . . . 55 Val HG1 . 16355 1 604 . 1 1 55 55 VAL HG21 H 1 0.749 0.05 . 2 . . . . 55 Val HG2 . 16355 1 605 . 1 1 55 55 VAL HG22 H 1 0.749 0.05 . 2 . . . . 55 Val HG2 . 16355 1 606 . 1 1 55 55 VAL HG23 H 1 0.749 0.05 . 2 . . . . 55 Val HG2 . 16355 1 607 . 1 1 55 55 VAL C C 13 176.200 0.50 . 1 . . . . 55 Val C . 16355 1 608 . 1 1 55 55 VAL CA C 13 60.783 0.50 . 1 . . . . 55 Val CA . 16355 1 609 . 1 1 55 55 VAL CB C 13 33.261 0.50 . 1 . . . . 55 Val CB . 16355 1 610 . 1 1 55 55 VAL CG1 C 13 21.572 0.50 . 2 . . . . 55 Val CG1 . 16355 1 611 . 1 1 55 55 VAL CG2 C 13 20.64 0.50 . 2 . . . . 55 Val CG2 . 16355 1 612 . 1 1 55 55 VAL N N 15 126.993 0.50 . 1 . . . . 55 Val N . 16355 1 613 . 1 1 56 56 ASP H H 1 9.829 0.05 . 1 . . . . 56 Asp H . 16355 1 614 . 1 1 56 56 ASP HA H 1 4.494 0.05 . 1 . . . . 56 Asp HA . 16355 1 615 . 1 1 56 56 ASP HB2 H 1 2.923 0.05 . 2 . . . . 56 Asp HB2 . 16355 1 616 . 1 1 56 56 ASP HB3 H 1 2.711 0.05 . 2 . . . . 56 Asp HB3 . 16355 1 617 . 1 1 56 56 ASP C C 13 176.170 0.50 . 1 . . . . 56 Asp C . 16355 1 618 . 1 1 56 56 ASP CA C 13 56.300 0.50 . 1 . . . . 56 Asp CA . 16355 1 619 . 1 1 56 56 ASP CB C 13 39.618 0.50 . 1 . . . . 56 Asp CB . 16355 1 620 . 1 1 56 56 ASP N N 15 129.966 0.50 . 1 . . . . 56 Asp N . 16355 1 621 . 1 1 57 57 GLY H H 1 8.840 0.05 . 1 . . . . 57 Gly H . 16355 1 622 . 1 1 57 57 GLY HA2 H 1 4.125 0.05 . 2 . . . . 57 Gly HA2 . 16355 1 623 . 1 1 57 57 GLY HA3 H 1 3.441 0.05 . 2 . . . . 57 Gly HA3 . 16355 1 624 . 1 1 57 57 GLY C C 13 173.710 0.50 . 1 . . . . 57 Gly C . 16355 1 625 . 1 1 57 57 GLY CA C 13 45.255 0.50 . 1 . . . . 57 Gly CA . 16355 1 626 . 1 1 57 57 GLY N N 15 101.900 0.50 . 1 . . . . 57 Gly N . 16355 1 627 . 1 1 58 58 ILE H H 1 7.882 0.05 . 1 . . . . 58 Ile H . 16355 1 628 . 1 1 58 58 ILE HA H 1 4.274 0.05 . 1 . . . . 58 Ile HA . 16355 1 629 . 1 1 58 58 ILE HB H 1 2.028 0.05 . 1 . . . . 58 Ile HB . 16355 1 630 . 1 1 58 58 ILE HD11 H 1 0.812 0.05 . 1 . . . . 58 Ile HD1 . 16355 1 631 . 1 1 58 58 ILE HD12 H 1 0.812 0.05 . 1 . . . . 58 Ile HD1 . 16355 1 632 . 1 1 58 58 ILE HD13 H 1 0.812 0.05 . 1 . . . . 58 Ile HD1 . 16355 1 633 . 1 1 58 58 ILE HG12 H 1 1.428 0.05 . 2 . . . . 58 Ile HG12 . 16355 1 634 . 1 1 58 58 ILE HG13 H 1 1.218 0.05 . 2 . . . . 58 Ile HG13 . 16355 1 635 . 1 1 58 58 ILE HG21 H 1 0.867 0.05 . 1 . . . . 58 Ile HG2 . 16355 1 636 . 1 1 58 58 ILE HG22 H 1 0.867 0.05 . 1 . . . . 58 Ile HG2 . 16355 1 637 . 1 1 58 58 ILE HG23 H 1 0.867 0.05 . 1 . . . . 58 Ile HG2 . 16355 1 638 . 1 1 58 58 ILE C C 13 174.930 0.50 . 1 . . . . 58 Ile C . 16355 1 639 . 1 1 58 58 ILE CA C 13 59.156 0.50 . 1 . . . . 58 Ile CA . 16355 1 640 . 1 1 58 58 ILE CB C 13 38.743 0.50 . 1 . . . . 58 Ile CB . 16355 1 641 . 1 1 58 58 ILE CD1 C 13 11.64 0.50 . 1 . . . . 58 Ile CD1 . 16355 1 642 . 1 1 58 58 ILE CG1 C 13 26.969 0.50 . 1 . . . . 58 Ile CG1 . 16355 1 643 . 1 1 58 58 ILE CG2 C 13 17.102 0.50 . 1 . . . . 58 Ile CG2 . 16355 1 644 . 1 1 58 58 ILE N N 15 123.153 0.50 . 1 . . . . 58 Ile N . 16355 1 645 . 1 1 59 59 VAL H H 1 8.444 0.05 . 1 . . . . 59 Val H . 16355 1 646 . 1 1 59 59 VAL HA H 1 4.028 0.05 . 1 . . . . 59 Val HA . 16355 1 647 . 1 1 59 59 VAL HB H 1 1.901 0.05 . 1 . . . . 59 Val HB . 16355 1 648 . 1 1 59 59 VAL HG11 H 1 0.801 0.05 . 2 . . . . 59 Val HG1 . 16355 1 649 . 1 1 59 59 VAL HG12 H 1 0.801 0.05 . 2 . . . . 59 Val HG1 . 16355 1 650 . 1 1 59 59 VAL HG13 H 1 0.801 0.05 . 2 . . . . 59 Val HG1 . 16355 1 651 . 1 1 59 59 VAL HG21 H 1 0.801 0.05 . 2 . . . . 59 Val HG2 . 16355 1 652 . 1 1 59 59 VAL HG22 H 1 0.801 0.05 . 2 . . . . 59 Val HG2 . 16355 1 653 . 1 1 59 59 VAL HG23 H 1 0.801 0.05 . 2 . . . . 59 Val HG2 . 16355 1 654 . 1 1 59 59 VAL C C 13 176.130 0.50 . 1 . . . . 59 Val C . 16355 1 655 . 1 1 59 59 VAL CA C 13 63.401 0.50 . 1 . . . . 59 Val CA . 16355 1 656 . 1 1 59 59 VAL CB C 13 31.917 0.50 . 1 . . . . 59 Val CB . 16355 1 657 . 1 1 59 59 VAL CG1 C 13 21.47 0.50 . 2 . . . . 59 Val CG1 . 16355 1 658 . 1 1 59 59 VAL CG2 C 13 21.47 0.50 . 2 . . . . 59 Val CG2 . 16355 1 659 . 1 1 59 59 VAL N N 15 128.052 0.50 . 1 . . . . 59 Val N . 16355 1 660 . 1 1 60 60 ILE H H 1 8.448 0.05 . 1 . . . . 60 Ile H . 16355 1 661 . 1 1 60 60 ILE HA H 1 4.215 0.05 . 1 . . . . 60 Ile HA . 16355 1 662 . 1 1 60 60 ILE HB H 1 1.927 0.05 . 1 . . . . 60 Ile HB . 16355 1 663 . 1 1 60 60 ILE HD11 H 1 0.805 0.05 . 1 . . . . 60 Ile HD1 . 16355 1 664 . 1 1 60 60 ILE HD12 H 1 0.805 0.05 . 1 . . . . 60 Ile HD1 . 16355 1 665 . 1 1 60 60 ILE HD13 H 1 0.805 0.05 . 1 . . . . 60 Ile HD1 . 16355 1 666 . 1 1 60 60 ILE HG12 H 1 1.404 0.05 . 2 . . . . 60 Ile HG12 . 16355 1 667 . 1 1 60 60 ILE HG13 H 1 1.404 0.05 . 2 . . . . 60 Ile HG13 . 16355 1 668 . 1 1 60 60 ILE HG21 H 1 0.989 0.05 . 1 . . . . 60 Ile HG2 . 16355 1 669 . 1 1 60 60 ILE HG22 H 1 0.989 0.05 . 1 . . . . 60 Ile HG2 . 16355 1 670 . 1 1 60 60 ILE HG23 H 1 0.989 0.05 . 1 . . . . 60 Ile HG2 . 16355 1 671 . 1 1 60 60 ILE C C 13 175.750 0.50 . 1 . . . . 60 Ile C . 16355 1 672 . 1 1 60 60 ILE CA C 13 59.996 0.50 . 1 . . . . 60 Ile CA . 16355 1 673 . 1 1 60 60 ILE CB C 13 37.052 0.50 . 1 . . . . 60 Ile CB . 16355 1 674 . 1 1 60 60 ILE CD1 C 13 11.38 0.50 . 1 . . . . 60 Ile CD1 . 16355 1 675 . 1 1 60 60 ILE CG1 C 13 27.051 0.50 . 1 . . . . 60 Ile CG1 . 16355 1 676 . 1 1 60 60 ILE CG2 C 13 18.233 0.50 . 1 . . . . 60 Ile CG2 . 16355 1 677 . 1 1 60 60 ILE N N 15 129.082 0.50 . 1 . . . . 60 Ile N . 16355 1 678 . 1 1 61 61 LEU H H 1 8.480 0.05 . 1 . . . . 61 Leu H . 16355 1 679 . 1 1 61 61 LEU HA H 1 4.451 0.05 . 1 . . . . 61 Leu HA . 16355 1 680 . 1 1 61 61 LEU HB2 H 1 1.693 0.05 . 2 . . . . 61 Leu HB2 . 16355 1 681 . 1 1 61 61 LEU HB3 H 1 1.601 0.05 . 2 . . . . 61 Leu HB3 . 16355 1 682 . 1 1 61 61 LEU HD11 H 1 0.913 0.05 . 2 . . . . 61 Leu HD1 . 16355 1 683 . 1 1 61 61 LEU HD12 H 1 0.913 0.05 . 2 . . . . 61 Leu HD1 . 16355 1 684 . 1 1 61 61 LEU HD13 H 1 0.913 0.05 . 2 . . . . 61 Leu HD1 . 16355 1 685 . 1 1 61 61 LEU HD21 H 1 0.827 0.05 . 2 . . . . 61 Leu HD2 . 16355 1 686 . 1 1 61 61 LEU HD22 H 1 0.827 0.05 . 2 . . . . 61 Leu HD2 . 16355 1 687 . 1 1 61 61 LEU HD23 H 1 0.827 0.05 . 2 . . . . 61 Leu HD2 . 16355 1 688 . 1 1 61 61 LEU HG H 1 1.622 0.05 . 1 . . . . 61 Leu HG . 16355 1 689 . 1 1 61 61 LEU C C 13 178.140 0.50 . 1 . . . . 61 Leu C . 16355 1 690 . 1 1 61 61 LEU CA C 13 55.529 0.50 . 1 . . . . 61 Leu CA . 16355 1 691 . 1 1 61 61 LEU CB C 13 43.565 0.50 . 1 . . . . 61 Leu CB . 16355 1 692 . 1 1 61 61 LEU CD1 C 13 25.298 0.50 . 2 . . . . 61 Leu CD1 . 16355 1 693 . 1 1 61 61 LEU CD2 C 13 22.977 0.50 . 2 . . . . 61 Leu CD2 . 16355 1 694 . 1 1 61 61 LEU CG C 13 26.838 0.50 . 1 . . . . 61 Leu CG . 16355 1 695 . 1 1 61 61 LEU N N 15 127.093 0.50 . 1 . . . . 61 Leu N . 16355 1 696 . 1 1 62 62 ARG H H 1 7.525 0.05 . 1 . . . . 62 Arg H . 16355 1 697 . 1 1 62 62 ARG HA H 1 4.393 0.05 . 1 . . . . 62 Arg HA . 16355 1 698 . 1 1 62 62 ARG HB2 H 1 2.103 0.05 . 2 . . . . 62 Arg HB2 . 16355 1 699 . 1 1 62 62 ARG HB3 H 1 1.740 0.05 . 2 . . . . 62 Arg HB3 . 16355 1 700 . 1 1 62 62 ARG HD2 H 1 3.309 0.05 . 2 . . . . 62 Arg HD2 . 16355 1 701 . 1 1 62 62 ARG HD3 H 1 3.156 0.05 . 2 . . . . 62 Arg HD3 . 16355 1 702 . 1 1 62 62 ARG C C 13 176.080 0.50 . 1 . . . . 62 Arg C . 16355 1 703 . 1 1 62 62 ARG CA C 13 55.912 0.50 . 1 . . . . 62 Arg CA . 16355 1 704 . 1 1 62 62 ARG CB C 13 31.217 0.50 . 1 . . . . 62 Arg CB . 16355 1 705 . 1 1 62 62 ARG CD C 13 43.179 0.50 . 1 . . . . 62 Arg CD . 16355 1 706 . 1 1 62 62 ARG CG C 13 27.008 0.50 . 1 . . . . 62 Arg CG . 16355 1 707 . 1 1 62 62 ARG N N 15 119.589 0.50 . 1 . . . . 62 Arg N . 16355 1 708 . 1 1 63 63 GLU H H 1 8.730 0.05 . 1 . . . . 63 Glu H . 16355 1 709 . 1 1 63 63 GLU HA H 1 4.331 0.05 . 1 . . . . 63 Glu HA . 16355 1 710 . 1 1 63 63 GLU HB2 H 1 2.032 0.05 . 2 . . . . 63 Glu HB2 . 16355 1 711 . 1 1 63 63 GLU HB3 H 1 1.941 0.05 . 2 . . . . 63 Glu HB3 . 16355 1 712 . 1 1 63 63 GLU HG2 H 1 2.346 0.05 . 1 . . . . 63 Glu HG2 . 16355 1 713 . 1 1 63 63 GLU HG3 H 1 2.346 0.05 . 1 . . . . 63 Glu HG3 . 16355 1 714 . 1 1 63 63 GLU C C 13 175.450 0.50 . 1 . . . . 63 Glu C . 16355 1 715 . 1 1 63 63 GLU CA C 13 56.578 0.50 . 1 . . . . 63 Glu CA . 16355 1 716 . 1 1 63 63 GLU CB C 13 30.626 0.50 . 1 . . . . 63 Glu CB . 16355 1 717 . 1 1 63 63 GLU CG C 13 36.455 0.50 . 1 . . . . 63 Glu CG . 16355 1 718 . 1 1 63 63 GLU N N 15 119.581 0.50 . 1 . . . . 63 Glu N . 16355 1 719 . 1 1 64 64 ASP H H 1 9.189 0.05 . 1 . . . . 64 Asp H . 16355 1 720 . 1 1 64 64 ASP HA H 1 4.566 0.05 . 1 . . . . 64 Asp HA . 16355 1 721 . 1 1 64 64 ASP HB2 H 1 2.822 0.05 . 2 . . . . 64 Asp HB2 . 16355 1 722 . 1 1 64 64 ASP HB3 H 1 2.715 0.05 . 2 . . . . 64 Asp HB3 . 16355 1 723 . 1 1 64 64 ASP C C 13 176.060 0.50 . 1 . . . . 64 Asp C . 16355 1 724 . 1 1 64 64 ASP CA C 13 53.673 0.50 . 1 . . . . 64 Asp CA . 16355 1 725 . 1 1 64 64 ASP CB C 13 39.833 0.50 . 1 . . . . 64 Asp CB . 16355 1 726 . 1 1 64 64 ASP N N 15 115.382 0.50 . 1 . . . . 64 Asp N . 16355 1 727 . 1 1 65 65 LEU H H 1 6.703 0.05 . 1 . . . . 65 Leu H . 16355 1 728 . 1 1 65 65 LEU HA H 1 4.546 0.05 . 1 . . . . 65 Leu HA . 16355 1 729 . 1 1 65 65 LEU HB2 H 1 1.514 0.05 . 2 . . . . 65 Leu HB2 . 16355 1 730 . 1 1 65 65 LEU HB3 H 1 1.462 0.05 . 2 . . . . 65 Leu HB3 . 16355 1 731 . 1 1 65 65 LEU HD11 H 1 0.787 0.05 . 2 . . . . 65 Leu HD1 . 16355 1 732 . 1 1 65 65 LEU HD12 H 1 0.787 0.05 . 2 . . . . 65 Leu HD1 . 16355 1 733 . 1 1 65 65 LEU HD13 H 1 0.787 0.05 . 2 . . . . 65 Leu HD1 . 16355 1 734 . 1 1 65 65 LEU HD21 H 1 0.787 0.05 . 2 . . . . 65 Leu HD2 . 16355 1 735 . 1 1 65 65 LEU HD22 H 1 0.787 0.05 . 2 . . . . 65 Leu HD2 . 16355 1 736 . 1 1 65 65 LEU HD23 H 1 0.787 0.05 . 2 . . . . 65 Leu HD2 . 16355 1 737 . 1 1 65 65 LEU HG H 1 0.87 0.05 . 1 . . . . 65 Leu HG . 16355 1 738 . 1 1 65 65 LEU C C 13 176.470 0.50 . 1 . . . . 65 Leu C . 16355 1 739 . 1 1 65 65 LEU CA C 13 54.039 0.50 . 1 . . . . 65 Leu CA . 16355 1 740 . 1 1 65 65 LEU CB C 13 44.277 0.50 . 1 . . . . 65 Leu CB . 16355 1 741 . 1 1 65 65 LEU CD1 C 13 22.732 0.50 . 2 . . . . 65 Leu CD1 . 16355 1 742 . 1 1 65 65 LEU CD2 C 13 22.732 0.50 . 2 . . . . 65 Leu CD2 . 16355 1 743 . 1 1 65 65 LEU CG C 13 26.716 0.50 . 1 . . . . 65 Leu CG . 16355 1 744 . 1 1 65 65 LEU N N 15 119.160 0.50 . 1 . . . . 65 Leu N . 16355 1 745 . 1 1 66 66 THR H H 1 8.586 0.05 . 1 . . . . 66 Thr H . 16355 1 746 . 1 1 66 66 THR HA H 1 5.046 0.05 . 1 . . . . 66 Thr HA . 16355 1 747 . 1 1 66 66 THR HB H 1 4.600 0.05 . 1 . . . . 66 Thr HB . 16355 1 748 . 1 1 66 66 THR C C 13 176.380 0.50 . 1 . . . . 66 Thr C . 16355 1 749 . 1 1 66 66 THR CA C 13 59.784 0.50 . 1 . . . . 66 Thr CA . 16355 1 750 . 1 1 66 66 THR CB C 13 72.046 0.50 . 1 . . . . 66 Thr CB . 16355 1 751 . 1 1 66 66 THR CG2 C 13 21.278 0.50 . 1 . . . . 66 Thr CG2 . 16355 1 752 . 1 1 66 66 THR N N 15 109.251 0.50 . 1 . . . . 66 Thr N . 16355 1 753 . 1 1 67 67 VAL H H 1 8.590 0.05 . 1 . . . . 67 Val H . 16355 1 754 . 1 1 67 67 VAL HA H 1 3.408 0.05 . 1 . . . . 67 Val HA . 16355 1 755 . 1 1 67 67 VAL HB H 1 2.333 0.05 . 1 . . . . 67 Val HB . 16355 1 756 . 1 1 67 67 VAL HG11 H 1 0.940 0.05 . 2 . . . . 67 Val HG1 . 16355 1 757 . 1 1 67 67 VAL HG12 H 1 0.940 0.05 . 2 . . . . 67 Val HG1 . 16355 1 758 . 1 1 67 67 VAL HG13 H 1 0.940 0.05 . 2 . . . . 67 Val HG1 . 16355 1 759 . 1 1 67 67 VAL HG21 H 1 0.779 0.05 . 2 . . . . 67 Val HG2 . 16355 1 760 . 1 1 67 67 VAL HG22 H 1 0.779 0.05 . 2 . . . . 67 Val HG2 . 16355 1 761 . 1 1 67 67 VAL HG23 H 1 0.779 0.05 . 2 . . . . 67 Val HG2 . 16355 1 762 . 1 1 67 67 VAL C C 13 178.040 0.50 . 1 . . . . 67 Val C . 16355 1 763 . 1 1 67 67 VAL CA C 13 66.926 0.50 . 1 . . . . 67 Val CA . 16355 1 764 . 1 1 67 67 VAL CB C 13 32.275 0.50 . 1 . . . . 67 Val CB . 16355 1 765 . 1 1 67 67 VAL CG1 C 13 23.360 0.50 . 2 . . . . 67 Val CG1 . 16355 1 766 . 1 1 67 67 VAL CG2 C 13 21.726 0.50 . 2 . . . . 67 Val CG2 . 16355 1 767 . 1 1 67 67 VAL N N 15 121.968 0.50 . 1 . . . . 67 Val N . 16355 1 768 . 1 1 68 68 GLU H H 1 8.122 0.05 . 1 . . . . 68 Glu H . 16355 1 769 . 1 1 68 68 GLU HA H 1 4.232 0.05 . 1 . . . . 68 Glu HA . 16355 1 770 . 1 1 68 68 GLU HB2 H 1 2.099 0.05 . 2 . . . . 68 Glu HB2 . 16355 1 771 . 1 1 68 68 GLU HB3 H 1 2.002 0.05 . 2 . . . . 68 Glu HB3 . 16355 1 772 . 1 1 68 68 GLU HG2 H 1 2.17 0.05 . 2 . . . . 68 Glu HG2 . 16355 1 773 . 1 1 68 68 GLU HG3 H 1 2.17 0.05 . 2 . . . . 68 Glu HG3 . 16355 1 774 . 1 1 68 68 GLU C C 13 180.670 0.50 . 1 . . . . 68 Glu C . 16355 1 775 . 1 1 68 68 GLU CA C 13 59.241 0.50 . 1 . . . . 68 Glu CA . 16355 1 776 . 1 1 68 68 GLU CB C 13 30.290 0.50 . 1 . . . . 68 Glu CB . 16355 1 777 . 1 1 68 68 GLU CG C 13 35.422 0.50 . 1 . . . . 68 Glu CG . 16355 1 778 . 1 1 68 68 GLU N N 15 117.884 0.50 . 1 . . . . 68 Glu N . 16355 1 779 . 1 1 69 69 GLN H H 1 8.078 0.05 . 1 . . . . 69 Gln H . 16355 1 780 . 1 1 69 69 GLN HA H 1 4.054 0.05 . 1 . . . . 69 Gln HA . 16355 1 781 . 1 1 69 69 GLN HB2 H 1 2.488 0.05 . 2 . . . . 69 Gln HB2 . 16355 1 782 . 1 1 69 69 GLN HB3 H 1 2.081 0.05 . 2 . . . . 69 Gln HB3 . 16355 1 783 . 1 1 69 69 GLN HE21 H 1 7.567 0.05 . 2 . . . . 69 Gln HE21 . 16355 1 784 . 1 1 69 69 GLN HE22 H 1 6.769 0.05 . 2 . . . . 69 Gln HE22 . 16355 1 785 . 1 1 69 69 GLN HG2 H 1 2.519 0.05 . 2 . . . . 69 Gln HG2 . 16355 1 786 . 1 1 69 69 GLN HG3 H 1 2.519 0.05 . 2 . . . . 69 Gln HG3 . 16355 1 787 . 1 1 69 69 GLN C C 13 178.440 0.50 . 1 . . . . 69 Gln C . 16355 1 788 . 1 1 69 69 GLN CA C 13 58.667 0.50 . 1 . . . . 69 Gln CA . 16355 1 789 . 1 1 69 69 GLN CB C 13 29.258 0.50 . 1 . . . . 69 Gln CB . 16355 1 790 . 1 1 69 69 GLN CG C 13 35.02 0.50 . 1 . . . . 69 Gln CG . 16355 1 791 . 1 1 69 69 GLN N N 15 121.460 0.50 . 1 . . . . 69 Gln N . 16355 1 792 . 1 1 69 69 GLN NE2 N 15 111.0 0.50 . 1 . . . . 69 Gln NE2 . 16355 1 793 . 1 1 70 70 CYS H H 1 8.036 0.05 . 1 . . . . 70 Cys H . 16355 1 794 . 1 1 70 70 CYS HA H 1 4.300 0.05 . 1 . . . . 70 Cys HA . 16355 1 795 . 1 1 70 70 CYS HB2 H 1 2.899 0.05 . 1 . . . . 70 Cys HB2 . 16355 1 796 . 1 1 70 70 CYS HB3 H 1 2.899 0.05 . 1 . . . . 70 Cys HB3 . 16355 1 797 . 1 1 70 70 CYS C C 13 172.914 0.50 . 1 . . . . 70 Cys C . 16355 1 798 . 1 1 70 70 CYS CA C 13 60.767 0.50 . 1 . . . . 70 Cys CA . 16355 1 799 . 1 1 70 70 CYS CB C 13 27.750 0.50 . 1 . . . . 70 Cys CB . 16355 1 800 . 1 1 70 70 CYS N N 15 116.376 0.50 . 1 . . . . 70 Cys N . 16355 1 801 . 1 1 71 71 GLN H H 1 7.990 0.05 . 1 . . . . 71 Gln H . 16355 1 802 . 1 1 71 71 GLN HA H 1 3.890 0.05 . 1 . . . . 71 Gln HA . 16355 1 803 . 1 1 71 71 GLN HB2 H 1 2.314 0.05 . 2 . . . . 71 Gln HB2 . 16355 1 804 . 1 1 71 71 GLN HB3 H 1 2.206 0.05 . 2 . . . . 71 Gln HB3 . 16355 1 805 . 1 1 71 71 GLN HE21 H 1 7.486 0.05 . 2 . . . . 71 Gln HE21 . 16355 1 806 . 1 1 71 71 GLN HE22 H 1 6.848 0.05 . 2 . . . . 71 Gln HE22 . 16355 1 807 . 1 1 71 71 GLN HG2 H 1 2.259 0.05 . 2 . . . . 71 Gln HG2 . 16355 1 808 . 1 1 71 71 GLN HG3 H 1 2.215 0.05 . 2 . . . . 71 Gln HG3 . 16355 1 809 . 1 1 71 71 GLN C C 13 174.680 0.50 . 1 . . . . 71 Gln C . 16355 1 810 . 1 1 71 71 GLN CA C 13 56.571 0.50 . 1 . . . . 71 Gln CA . 16355 1 811 . 1 1 71 71 GLN CB C 13 25.496 0.50 . 1 . . . . 71 Gln CB . 16355 1 812 . 1 1 71 71 GLN CG C 13 34.238 0.50 . 1 . . . . 71 Gln CG . 16355 1 813 . 1 1 71 71 GLN N N 15 112.802 0.50 . 1 . . . . 71 Gln N . 16355 1 814 . 1 1 71 71 GLN NE2 N 15 112.6 0.50 . 1 . . . . 71 Gln NE2 . 16355 1 815 . 1 1 72 72 ILE H H 1 7.059 0.05 . 1 . . . . 72 Ile H . 16355 1 816 . 1 1 72 72 ILE HA H 1 3.864 0.05 . 1 . . . . 72 Ile HA . 16355 1 817 . 1 1 72 72 ILE HB H 1 1.623 0.05 . 1 . . . . 72 Ile HB . 16355 1 818 . 1 1 72 72 ILE HD11 H 1 0.723 0.05 . 1 . . . . 72 Ile HD1 . 16355 1 819 . 1 1 72 72 ILE HD12 H 1 0.723 0.05 . 1 . . . . 72 Ile HD1 . 16355 1 820 . 1 1 72 72 ILE HD13 H 1 0.723 0.05 . 1 . . . . 72 Ile HD1 . 16355 1 821 . 1 1 72 72 ILE HG12 H 1 0.779 0.05 . 2 . . . . 72 Ile HG12 . 16355 1 822 . 1 1 72 72 ILE HG13 H 1 0.731 0.05 . 2 . . . . 72 Ile HG13 . 16355 1 823 . 1 1 72 72 ILE HG21 H 1 0.617 0.05 . 1 . . . . 72 Ile HG2 . 16355 1 824 . 1 1 72 72 ILE HG22 H 1 0.617 0.05 . 1 . . . . 72 Ile HG2 . 16355 1 825 . 1 1 72 72 ILE HG23 H 1 0.617 0.05 . 1 . . . . 72 Ile HG2 . 16355 1 826 . 1 1 72 72 ILE C C 13 174.640 0.50 . 1 . . . . 72 Ile C . 16355 1 827 . 1 1 72 72 ILE CA C 13 62.708 0.50 . 1 . . . . 72 Ile CA . 16355 1 828 . 1 1 72 72 ILE CB C 13 37.083 0.50 . 1 . . . . 72 Ile CB . 16355 1 829 . 1 1 72 72 ILE CD1 C 13 13.011 0.50 . 1 . . . . 72 Ile CD1 . 16355 1 830 . 1 1 72 72 ILE CG1 C 13 29.269 0.50 . 1 . . . . 72 Ile CG1 . 16355 1 831 . 1 1 72 72 ILE CG2 C 13 18.192 0.50 . 1 . . . . 72 Ile CG2 . 16355 1 832 . 1 1 72 72 ILE N N 15 119.141 0.50 . 1 . . . . 72 Ile N . 16355 1 833 . 1 1 73 73 VAL H H 1 8.670 0.05 . 1 . . . . 73 Val H . 16355 1 834 . 1 1 73 73 VAL HA H 1 4.828 0.05 . 1 . . . . 73 Val HA . 16355 1 835 . 1 1 73 73 VAL HB H 1 2.466 0.05 . 1 . . . . 73 Val HB . 16355 1 836 . 1 1 73 73 VAL HG11 H 1 0.882 0.05 . 2 . . . . 73 Val HG1 . 16355 1 837 . 1 1 73 73 VAL HG12 H 1 0.882 0.05 . 2 . . . . 73 Val HG1 . 16355 1 838 . 1 1 73 73 VAL HG13 H 1 0.882 0.05 . 2 . . . . 73 Val HG1 . 16355 1 839 . 1 1 73 73 VAL HG21 H 1 0.826 0.05 . 2 . . . . 73 Val HG2 . 16355 1 840 . 1 1 73 73 VAL HG22 H 1 0.826 0.05 . 2 . . . . 73 Val HG2 . 16355 1 841 . 1 1 73 73 VAL HG23 H 1 0.826 0.05 . 2 . . . . 73 Val HG2 . 16355 1 842 . 1 1 73 73 VAL CA C 13 58.962 0.50 . 1 . . . . 73 Val CA . 16355 1 843 . 1 1 73 73 VAL CB C 13 32.361 0.50 . 1 . . . . 73 Val CB . 16355 1 844 . 1 1 73 73 VAL CG1 C 13 22.24 0.50 . 2 . . . . 73 Val CG1 . 16355 1 845 . 1 1 73 73 VAL CG2 C 13 18.91 0.50 . 2 . . . . 73 Val CG2 . 16355 1 846 . 1 1 73 73 VAL N N 15 121.525 0.50 . 1 . . . . 73 Val N . 16355 1 847 . 1 1 74 74 PRO HA H 1 4.168 0.05 . 1 . . . . 74 Pro HA . 16355 1 848 . 1 1 74 74 PRO HB2 H 1 2.334 0.05 . 2 . . . . 74 Pro HB2 . 16355 1 849 . 1 1 74 74 PRO HB3 H 1 1.872 0.05 . 2 . . . . 74 Pro HB3 . 16355 1 850 . 1 1 74 74 PRO HD2 H 1 3.746 0.05 . 2 . . . . 74 Pro HD2 . 16355 1 851 . 1 1 74 74 PRO HD3 H 1 3.701 0.05 . 2 . . . . 74 Pro HD3 . 16355 1 852 . 1 1 74 74 PRO HG2 H 1 2.049 0.05 . 2 . . . . 74 Pro HG2 . 16355 1 853 . 1 1 74 74 PRO HG3 H 1 1.75 0.05 . 2 . . . . 74 Pro HG3 . 16355 1 854 . 1 1 74 74 PRO C C 13 177.320 0.50 . 1 . . . . 74 Pro C . 16355 1 855 . 1 1 74 74 PRO CA C 13 66.255 0.50 . 1 . . . . 74 Pro CA . 16355 1 856 . 1 1 74 74 PRO CB C 13 32.152 0.50 . 1 . . . . 74 Pro CB . 16355 1 857 . 1 1 74 74 PRO CD C 13 50.778 0.50 . 1 . . . . 74 Pro CD . 16355 1 858 . 1 1 74 74 PRO CG C 13 28.681 0.50 . 1 . . . . 74 Pro CG . 16355 1 859 . 1 1 75 75 THR H H 1 6.966 0.05 . 1 . . . . 75 Thr H . 16355 1 860 . 1 1 75 75 THR HA H 1 4.397 0.05 . 1 . . . . 75 Thr HA . 16355 1 861 . 1 1 75 75 THR HB H 1 4.664 0.05 . 1 . . . . 75 Thr HB . 16355 1 862 . 1 1 75 75 THR HG21 H 1 1.202 0.05 . 1 . . . . 75 Thr HG2 . 16355 1 863 . 1 1 75 75 THR HG22 H 1 1.202 0.05 . 1 . . . . 75 Thr HG2 . 16355 1 864 . 1 1 75 75 THR HG23 H 1 1.202 0.05 . 1 . . . . 75 Thr HG2 . 16355 1 865 . 1 1 75 75 THR C C 13 175.060 0.50 . 1 . . . . 75 Thr C . 16355 1 866 . 1 1 75 75 THR CA C 13 60.876 0.50 . 1 . . . . 75 Thr CA . 16355 1 867 . 1 1 75 75 THR CB C 13 68.470 0.50 . 1 . . . . 75 Thr CB . 16355 1 868 . 1 1 75 75 THR CG2 C 13 21.62 0.50 . 1 . . . . 75 Thr CG2 . 16355 1 869 . 1 1 75 75 THR N N 15 100.700 0.50 . 1 . . . . 75 Thr N . 16355 1 870 . 1 1 76 76 SER H H 1 8.642 0.05 . 1 . . . . 76 Ser H . 16355 1 871 . 1 1 76 76 SER HA H 1 4.704 0.05 . 1 . . . . 76 Ser HA . 16355 1 872 . 1 1 76 76 SER HB2 H 1 3.919 0.05 . 2 . . . . 76 Ser HB2 . 16355 1 873 . 1 1 76 76 SER HB3 H 1 3.655 0.05 . 2 . . . . 76 Ser HB3 . 16355 1 874 . 1 1 76 76 SER C C 13 172.250 0.50 . 1 . . . . 76 Ser C . 16355 1 875 . 1 1 76 76 SER CA C 13 62.010 0.50 . 1 . . . . 76 Ser CA . 16355 1 876 . 1 1 76 76 SER CB C 13 64.142 0.50 . 1 . . . . 76 Ser CB . 16355 1 877 . 1 1 76 76 SER N N 15 122.476 0.50 . 1 . . . . 76 Ser N . 16355 1 878 . 1 1 77 77 ASP H H 1 8.923 0.05 . 1 . . . . 77 Asp H . 16355 1 879 . 1 1 77 77 ASP HA H 1 4.891 0.05 . 1 . . . . 77 Asp HA . 16355 1 880 . 1 1 77 77 ASP HB2 H 1 2.716 0.05 . 2 . . . . 77 Asp HB2 . 16355 1 881 . 1 1 77 77 ASP HB3 H 1 2.653 0.05 . 2 . . . . 77 Asp HB3 . 16355 1 882 . 1 1 77 77 ASP C C 13 174.980 0.50 . 1 . . . . 77 Asp C . 16355 1 883 . 1 1 77 77 ASP CA C 13 53.294 0.50 . 1 . . . . 77 Asp CA . 16355 1 884 . 1 1 77 77 ASP CB C 13 42.445 0.50 . 1 . . . . 77 Asp CB . 16355 1 885 . 1 1 77 77 ASP N N 15 123.250 0.50 . 1 . . . . 77 Asp N . 16355 1 886 . 1 1 78 78 ILE H H 1 9.143 0.05 . 1 . . . . 78 Ile H . 16355 1 887 . 1 1 78 78 ILE HA H 1 4.693 0.05 . 1 . . . . 78 Ile HA . 16355 1 888 . 1 1 78 78 ILE HB H 1 1.565 0.05 . 1 . . . . 78 Ile HB . 16355 1 889 . 1 1 78 78 ILE HD11 H 1 0.793 0.05 . 1 . . . . 78 Ile HD1 . 16355 1 890 . 1 1 78 78 ILE HD12 H 1 0.793 0.05 . 1 . . . . 78 Ile HD1 . 16355 1 891 . 1 1 78 78 ILE HD13 H 1 0.793 0.05 . 1 . . . . 78 Ile HD1 . 16355 1 892 . 1 1 78 78 ILE HG12 H 1 0.798 0.05 . 2 . . . . 78 Ile HG12 . 16355 1 893 . 1 1 78 78 ILE HG13 H 1 0.601 0.05 . 2 . . . . 78 Ile HG13 . 16355 1 894 . 1 1 78 78 ILE HG21 H 1 0.521 0.05 . 1 . . . . 78 Ile HG2 . 16355 1 895 . 1 1 78 78 ILE HG22 H 1 0.521 0.05 . 1 . . . . 78 Ile HG2 . 16355 1 896 . 1 1 78 78 ILE HG23 H 1 0.521 0.05 . 1 . . . . 78 Ile HG2 . 16355 1 897 . 1 1 78 78 ILE C C 13 175.010 0.50 . 1 . . . . 78 Ile C . 16355 1 898 . 1 1 78 78 ILE CA C 13 60.541 0.50 . 1 . . . . 78 Ile CA . 16355 1 899 . 1 1 78 78 ILE CB C 13 37.844 0.50 . 1 . . . . 78 Ile CB . 16355 1 900 . 1 1 78 78 ILE CD1 C 13 10.95 0.50 . 1 . . . . 78 Ile CD1 . 16355 1 901 . 1 1 78 78 ILE CG1 C 13 27.111 0.50 . 1 . . . . 78 Ile CG1 . 16355 1 902 . 1 1 78 78 ILE CG2 C 13 17.091 0.50 . 1 . . . . 78 Ile CG2 . 16355 1 903 . 1 1 78 78 ILE N N 15 126.780 0.50 . 1 . . . . 78 Ile N . 16355 1 904 . 1 1 79 79 GLN H H 1 9.325 0.05 . 1 . . . . 79 Gln H . 16355 1 905 . 1 1 79 79 GLN HA H 1 5.203 0.05 . 1 . . . . 79 Gln HA . 16355 1 906 . 1 1 79 79 GLN HB2 H 1 1.971 0.05 . 2 . . . . 79 Gln HB2 . 16355 1 907 . 1 1 79 79 GLN HB3 H 1 1.903 0.05 . 2 . . . . 79 Gln HB3 . 16355 1 908 . 1 1 79 79 GLN HE21 H 1 7.839 0.05 . 2 . . . . 79 Gln HE21 . 16355 1 909 . 1 1 79 79 GLN HE22 H 1 6.708 0.05 . 2 . . . . 79 Gln HE22 . 16355 1 910 . 1 1 79 79 GLN HG2 H 1 2.084 0.05 . 2 . . . . 79 Gln HG2 . 16355 1 911 . 1 1 79 79 GLN HG3 H 1 2.084 0.05 . 2 . . . . 79 Gln HG3 . 16355 1 912 . 1 1 79 79 GLN C C 13 172.900 0.50 . 1 . . . . 79 Gln C . 16355 1 913 . 1 1 79 79 GLN CA C 13 53.269 0.50 . 1 . . . . 79 Gln CA . 16355 1 914 . 1 1 79 79 GLN CB C 13 33.858 0.50 . 1 . . . . 79 Gln CB . 16355 1 915 . 1 1 79 79 GLN CG C 13 34.533 0.50 . 1 . . . . 79 Gln CG . 16355 1 916 . 1 1 79 79 GLN N N 15 126.123 0.50 . 1 . . . . 79 Gln N . 16355 1 917 . 1 1 79 79 GLN NE2 N 15 113.5 0.50 . 1 . . . . 79 Gln NE2 . 16355 1 918 . 1 1 80 80 LEU H H 1 8.523 0.05 . 1 . . . . 80 Leu H . 16355 1 919 . 1 1 80 80 LEU HA H 1 5.203 0.05 . 1 . . . . 80 Leu HA . 16355 1 920 . 1 1 80 80 LEU HB2 H 1 1.551 0.05 . 2 . . . . 80 Leu HB2 . 16355 1 921 . 1 1 80 80 LEU HB3 H 1 1.031 0.05 . 2 . . . . 80 Leu HB3 . 16355 1 922 . 1 1 80 80 LEU HD11 H 1 0.885 0.05 . 2 . . . . 80 Leu HD1 . 16355 1 923 . 1 1 80 80 LEU HD12 H 1 0.885 0.05 . 2 . . . . 80 Leu HD1 . 16355 1 924 . 1 1 80 80 LEU HD13 H 1 0.885 0.05 . 2 . . . . 80 Leu HD1 . 16355 1 925 . 1 1 80 80 LEU HD21 H 1 0.885 0.05 . 2 . . . . 80 Leu HD2 . 16355 1 926 . 1 1 80 80 LEU HD22 H 1 0.885 0.05 . 2 . . . . 80 Leu HD2 . 16355 1 927 . 1 1 80 80 LEU HD23 H 1 0.885 0.05 . 2 . . . . 80 Leu HD2 . 16355 1 928 . 1 1 80 80 LEU HG H 1 0.842 0.05 . 1 . . . . 80 Leu HG . 16355 1 929 . 1 1 80 80 LEU C C 13 173.830 0.50 . 1 . . . . 80 Leu C . 16355 1 930 . 1 1 80 80 LEU CA C 13 52.982 0.50 . 1 . . . . 80 Leu CA . 16355 1 931 . 1 1 80 80 LEU CB C 13 47.148 0.50 . 1 . . . . 80 Leu CB . 16355 1 932 . 1 1 80 80 LEU CD1 C 13 23.661 0.50 . 2 . . . . 80 Leu CD1 . 16355 1 933 . 1 1 80 80 LEU CD2 C 13 23.661 0.50 . 2 . . . . 80 Leu CD2 . 16355 1 934 . 1 1 80 80 LEU CG C 13 27.588 0.50 . 1 . . . . 80 Leu CG . 16355 1 935 . 1 1 80 80 LEU N N 15 121.742 0.50 . 1 . . . . 80 Leu N . 16355 1 936 . 1 1 81 81 GLU H H 1 9.127 0.05 . 1 . . . . 81 Glu H . 16355 1 937 . 1 1 81 81 GLU HA H 1 4.783 0.05 . 1 . . . . 81 Glu HA . 16355 1 938 . 1 1 81 81 GLU HB2 H 1 1.924 0.05 . 2 . . . . 81 Glu HB2 . 16355 1 939 . 1 1 81 81 GLU HB3 H 1 1.811 0.05 . 2 . . . . 81 Glu HB3 . 16355 1 940 . 1 1 81 81 GLU HG2 H 1 2.186 0.05 . 2 . . . . 81 Glu HG2 . 16355 1 941 . 1 1 81 81 GLU HG3 H 1 2.043 0.05 . 2 . . . . 81 Glu HG3 . 16355 1 942 . 1 1 81 81 GLU C C 13 175.030 0.50 . 1 . . . . 81 Glu C . 16355 1 943 . 1 1 81 81 GLU CA C 13 54.679 0.50 . 1 . . . . 81 Glu CA . 16355 1 944 . 1 1 81 81 GLU CB C 13 32.683 0.50 . 1 . . . . 81 Glu CB . 16355 1 945 . 1 1 81 81 GLU CG C 13 36.731 0.50 . 1 . . . . 81 Glu CG . 16355 1 946 . 1 1 81 81 GLU N N 15 126.745 0.50 . 1 . . . . 81 Glu N . 16355 1 947 . 1 1 82 82 VAL H H 1 8.835 0.05 . 1 . . . . 82 Val H . 16355 1 948 . 1 1 82 82 VAL HA H 1 4.836 0.05 . 1 . . . . 82 Val HA . 16355 1 949 . 1 1 82 82 VAL HB H 1 1.941 0.05 . 1 . . . . 82 Val HB . 16355 1 950 . 1 1 82 82 VAL HG11 H 1 0.989 0.05 . 2 . . . . 82 Val HG1 . 16355 1 951 . 1 1 82 82 VAL HG12 H 1 0.989 0.05 . 2 . . . . 82 Val HG1 . 16355 1 952 . 1 1 82 82 VAL HG13 H 1 0.989 0.05 . 2 . . . . 82 Val HG1 . 16355 1 953 . 1 1 82 82 VAL HG21 H 1 0.75 0.05 . 2 . . . . 82 Val HG2 . 16355 1 954 . 1 1 82 82 VAL HG22 H 1 0.75 0.05 . 2 . . . . 82 Val HG2 . 16355 1 955 . 1 1 82 82 VAL HG23 H 1 0.75 0.05 . 2 . . . . 82 Val HG2 . 16355 1 956 . 1 1 82 82 VAL C C 13 176.790 0.50 . 1 . . . . 82 Val C . 16355 1 957 . 1 1 82 82 VAL CA C 13 61.043 0.50 . 1 . . . . 82 Val CA . 16355 1 958 . 1 1 82 82 VAL CB C 13 33.534 0.50 . 1 . . . . 82 Val CB . 16355 1 959 . 1 1 82 82 VAL CG1 C 13 22.05 0.50 . 2 . . . . 82 Val CG1 . 16355 1 960 . 1 1 82 82 VAL CG2 C 13 20.46 0.50 . 2 . . . . 82 Val CG2 . 16355 1 961 . 1 1 82 82 VAL N N 15 126.950 0.50 . 1 . . . . 82 Val N . 16355 1 962 . 1 1 83 83 SER H H 1 8.966 0.05 . 1 . . . . 83 Ser H . 16355 1 963 . 1 1 83 83 SER HA H 1 4.518 0.05 . 1 . . . . 83 Ser HA . 16355 1 964 . 1 1 83 83 SER HB2 H 1 3.963 0.05 . 2 . . . . 83 Ser HB2 . 16355 1 965 . 1 1 83 83 SER HB3 H 1 3.904 0.05 . 2 . . . . 83 Ser HB3 . 16355 1 966 . 1 1 83 83 SER CA C 13 58.137 0.50 . 1 . . . . 83 Ser CA . 16355 1 967 . 1 1 83 83 SER CB C 13 64.322 0.50 . 1 . . . . 83 Ser CB . 16355 1 968 . 1 1 83 83 SER N N 15 124.744 0.50 . 1 . . . . 83 Ser N . 16355 1 969 . 1 1 84 84 SER H H 1 8.191 0.05 . 1 . . . . 84 Ser H . 16355 1 970 . 1 1 84 84 SER HA H 1 4.236 0.05 . 1 . . . . 84 Ser HA . 16355 1 971 . 1 1 84 84 SER HB2 H 1 3.883 0.05 . 2 . . . . 84 Ser HB2 . 16355 1 972 . 1 1 84 84 SER HB3 H 1 3.883 0.05 . 2 . . . . 84 Ser HB3 . 16355 1 973 . 1 1 84 84 SER CA C 13 60.682 0.50 . 1 . . . . 84 Ser CA . 16355 1 974 . 1 1 84 84 SER CB C 13 64.399 0.50 . 1 . . . . 84 Ser CB . 16355 1 975 . 1 1 84 84 SER N N 15 121.700 0.50 . 1 . . . . 84 Ser N . 16355 1 stop_ save_