data_15349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15349 _Entry.Title ; Solution structure of second SH3 domain of adaptor Nck ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-29 _Entry.Accession_date 2007-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Hake N. J. . 15349 2 Kiattawee Choowongkomon . . . 15349 3 Cathleen Carlin . R. . 15349 4 Frank Sonnichsen . D. . 15349 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15349 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID adaptor . 15349 'SH3 domain' . 15349 signaling . 15349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 15349 '15N chemical shifts' 58 15349 '1H chemical shifts' 398 15349 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-03 2007-06-29 update BMRB 'complete entry citation' 15349 1 . . 2008-02-29 2007-06-29 original author 'original release' 15349 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JS0 'BMRB Entry Tracking System' 15349 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15349 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18269246 _Citation.Full_citation . _Citation.Title 'Specificity Determinants of a Novel Nck Interaction with the Juxtamembrane Domain of the Epidermal Growth Factor Receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 10 _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 3096 _Citation.Page_last 3108 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Hake M. J. . 15349 1 2 Kiattawee Choowongkomon . . . 15349 1 3 Olga Kostenko . . . 15349 1 4 Cathleen Carlin . R. . 15349 1 5 Frank Sonnichsen . D. . 15349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15349 _Assembly.ID 1 _Assembly.Name 'Nck1-2 SH3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6992.865 _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 'Nck1-2 SH3' 1 $Nck1-2 A . yes native no no . . . 15349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nck1-2 _Entity.Sf_category entity _Entity.Sf_framecode Nck1-2 _Entity.Entry_ID 15349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nck1-2 _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 ; GSLNMPAYVKFNYMAEREDE LSLIKGTKVIVMEKCSDGWW RGSYNGQVGWFPSNYVTEEG D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 105, G 106, S 107, L ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'nearly all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6992.865 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CUB . "Solution Structure Of The Sh3 Domain Of The Human Cytoplasmic Protein Nck1" . . . . . 96.72 88 100.00 100.00 2.55e-35 . . . . 15349 1 2 no PDB 2JS0 . "Solution Structure Of Second Sh3 Domain Of Adaptor Nck" . . . . . 100.00 61 100.00 100.00 1.59e-36 . . . . 15349 1 3 no DBJ BAH13487 . "unnamed protein product [Homo sapiens]" . . . . . 96.72 313 100.00 100.00 1.23e-33 . . . . 15349 1 4 no EMBL CAH89589 . "hypothetical protein [Pongo abelii]" . . . . . 96.72 188 100.00 100.00 3.76e-34 . . . . 15349 1 5 no REF NP_001124702 . "cytoplasmic protein NCK1 [Pongo abelii]" . . . . . 96.72 313 100.00 100.00 1.23e-33 . . . . 15349 1 6 no REF NP_001177725 . "cytoplasmic protein NCK1 isoform 2 [Homo sapiens]" . . . . . 96.72 313 100.00 100.00 1.23e-33 . . . . 15349 1 7 no REF XP_003265315 . "PREDICTED: cytoplasmic protein NCK1 isoform X2 [Nomascus leucogenys]" . . . . . 96.72 313 100.00 100.00 1.23e-33 . . . . 15349 1 8 no REF XP_003992119 . "PREDICTED: cytoplasmic protein NCK1 isoform X2 [Felis catus]" . . . . . 96.72 313 100.00 100.00 1.18e-33 . . . . 15349 1 9 no REF XP_004037761 . "PREDICTED: cytoplasmic protein NCK1 isoform 2 [Gorilla gorilla gorilla]" . . . . . 96.72 313 100.00 100.00 1.23e-33 . . . . 15349 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 . GLY . 15349 1 2 . SER . 15349 1 3 . LEU . 15349 1 4 . ASN . 15349 1 5 . MET . 15349 1 6 . PRO . 15349 1 7 . ALA . 15349 1 8 . TYR . 15349 1 9 . VAL . 15349 1 10 . LYS . 15349 1 11 . PHE . 15349 1 12 . ASN . 15349 1 13 . TYR . 15349 1 14 . MET . 15349 1 15 . ALA . 15349 1 16 . GLU . 15349 1 17 . ARG . 15349 1 18 . GLU . 15349 1 19 . ASP . 15349 1 20 . GLU . 15349 1 21 . LEU . 15349 1 22 . SER . 15349 1 23 . LEU . 15349 1 24 . ILE . 15349 1 25 . LYS . 15349 1 26 . GLY . 15349 1 27 . THR . 15349 1 28 . LYS . 15349 1 29 . VAL . 15349 1 30 . ILE . 15349 1 31 . VAL . 15349 1 32 . MET . 15349 1 33 . GLU . 15349 1 34 . LYS . 15349 1 35 . CYS . 15349 1 36 . SER . 15349 1 37 . ASP . 15349 1 38 . GLY . 15349 1 39 . TRP . 15349 1 40 . TRP . 15349 1 41 . ARG . 15349 1 42 . GLY . 15349 1 43 . SER . 15349 1 44 . TYR . 15349 1 45 . ASN . 15349 1 46 . GLY . 15349 1 47 . GLN . 15349 1 48 . VAL . 15349 1 49 . GLY . 15349 1 50 . TRP . 15349 1 51 . PHE . 15349 1 52 . PRO . 15349 1 53 . SER . 15349 1 54 . ASN . 15349 1 55 . TYR . 15349 1 56 . VAL . 15349 1 57 . THR . 15349 1 58 . GLU . 15349 1 59 . GLU . 15349 1 60 . GLY . 15349 1 61 . ASP . 15349 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 . GLY 1 1 15349 1 . SER 2 2 15349 1 . LEU 3 3 15349 1 . ASN 4 4 15349 1 . MET 5 5 15349 1 . PRO 6 6 15349 1 . ALA 7 7 15349 1 . TYR 8 8 15349 1 . VAL 9 9 15349 1 . LYS 10 10 15349 1 . PHE 11 11 15349 1 . ASN 12 12 15349 1 . TYR 13 13 15349 1 . MET 14 14 15349 1 . ALA 15 15 15349 1 . GLU 16 16 15349 1 . ARG 17 17 15349 1 . GLU 18 18 15349 1 . ASP 19 19 15349 1 . GLU 20 20 15349 1 . LEU 21 21 15349 1 . SER 22 22 15349 1 . LEU 23 23 15349 1 . ILE 24 24 15349 1 . LYS 25 25 15349 1 . GLY 26 26 15349 1 . THR 27 27 15349 1 . LYS 28 28 15349 1 . VAL 29 29 15349 1 . ILE 30 30 15349 1 . VAL 31 31 15349 1 . MET 32 32 15349 1 . GLU 33 33 15349 1 . LYS 34 34 15349 1 . CYS 35 35 15349 1 . SER 36 36 15349 1 . ASP 37 37 15349 1 . GLY 38 38 15349 1 . TRP 39 39 15349 1 . TRP 40 40 15349 1 . ARG 41 41 15349 1 . GLY 42 42 15349 1 . SER 43 43 15349 1 . TYR 44 44 15349 1 . ASN 45 45 15349 1 . GLY 46 46 15349 1 . GLN 47 47 15349 1 . VAL 48 48 15349 1 . GLY 49 49 15349 1 . TRP 50 50 15349 1 . PHE 51 51 15349 1 . PRO 52 52 15349 1 . SER 53 53 15349 1 . ASN 54 54 15349 1 . TYR 55 55 15349 1 . VAL 56 56 15349 1 . THR 57 57 15349 1 . GLU 58 58 15349 1 . GLU 59 59 15349 1 . GLY 60 60 15349 1 . ASP 61 61 15349 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 15349 _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 $Nck1-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . nck1 . . . . 15349 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 15349 _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 $Nck1-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEV2 . . . . . . 15349 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15349 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Nck1-2 '[U-99% 13C; U-99% 15N]' . . 1 $Nck1-2 . . . 0.5 1.0 mM . . . . 15349 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15349 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15349 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 15349 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15349 1 6 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 15349 1 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 15349 _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' 100 20 mM 15349 1 pH 6.1 0.2 pH 15349 1 pressure 1 . atm 15349 1 temperature 310 . K 15349 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15349 _Software.ID 1 _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' . . 15349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15349 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15349 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15349 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15349 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15349 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15349 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15349 3 'data analysis' 15349 3 'peak picking' 15349 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15349 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15349 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'water refinement' 15349 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 15349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15349 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15349 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15349 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15349 1 2 spectrometer_2 Varian INOVA . 500 . . . 15349 1 3 spectrometer_3 Bruker Avance . 600 . . . 15349 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 15349 _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 . . . . . . . . . . . . . . . . 15349 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15349 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_3 . . . . . . . . . . . . . . . . 15349 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_3 . . . . . . . . . . . . . . . . 15349 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15349 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15349 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15349 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15349 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15349 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 15349 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 15349 1 2 '3D 1H-13C NOESY' . . . 15349 1 3 '2D 1H-1H NOESY' . . . 15349 1 4 '2D 1H-15N HSQC' . . . 15349 1 5 '2D 1H-13C HSQC' . . . 15349 1 6 '3D HNCO' . . . 15349 1 7 '3D HNCACB' . . . 15349 1 8 '3D CBCA(CO)NH' . . . 15349 1 9 '3D H(CCO)NH' . . . 15349 1 10 '3D HCCH-TOCSY' . . . 15349 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 1 $CYANA . . 15349 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 2 2 SER HA H 1 4.614 0.020 . 1 . . . . 2 SER HA . 15349 1 2 . 1 1 2 2 SER HB2 H 1 3.827 0.020 . 2 . . . . 2 SER HB2 . 15349 1 3 . 1 1 2 2 SER HB3 H 1 3.827 0.020 . 2 . . . . 2 SER HB3 . 15349 1 4 . 1 1 2 2 SER C C 13 174.614 0.400 . 1 . . . . 2 SER C . 15349 1 5 . 1 1 2 2 SER CA C 13 57.795 0.400 . 1 . . . . 2 SER CA . 15349 1 6 . 1 1 2 2 SER CB C 13 64.138 0.400 . 1 . . . . 2 SER CB . 15349 1 7 . 1 1 3 3 LEU H H 1 8.492 0.020 . 1 . . . . 3 LEU H . 15349 1 8 . 1 1 3 3 LEU HA H 1 4.213 0.020 . 1 . . . . 3 LEU HA . 15349 1 9 . 1 1 3 3 LEU HB2 H 1 1.550 0.020 . 2 . . . . 3 LEU HB2 . 15349 1 10 . 1 1 3 3 LEU HB3 H 1 1.404 0.020 . 2 . . . . 3 LEU HB3 . 15349 1 11 . 1 1 3 3 LEU HD11 H 1 0.727 0.020 . 2 . . . . 3 LEU HD1 . 15349 1 12 . 1 1 3 3 LEU HD12 H 1 0.727 0.020 . 2 . . . . 3 LEU HD1 . 15349 1 13 . 1 1 3 3 LEU HD13 H 1 0.727 0.020 . 2 . . . . 3 LEU HD1 . 15349 1 14 . 1 1 3 3 LEU HD21 H 1 0.727 0.020 . 2 . . . . 3 LEU HD2 . 15349 1 15 . 1 1 3 3 LEU HD22 H 1 0.727 0.020 . 2 . . . . 3 LEU HD2 . 15349 1 16 . 1 1 3 3 LEU HD23 H 1 0.727 0.020 . 2 . . . . 3 LEU HD2 . 15349 1 17 . 1 1 3 3 LEU HG H 1 1.580 0.020 . 1 . . . . 3 LEU HG . 15349 1 18 . 1 1 3 3 LEU C C 13 176.367 0.400 . 1 . . . . 3 LEU C . 15349 1 19 . 1 1 3 3 LEU CA C 13 55.834 0.400 . 1 . . . . 3 LEU CA . 15349 1 20 . 1 1 3 3 LEU CB C 13 42.486 0.400 . 1 . . . . 3 LEU CB . 15349 1 21 . 1 1 3 3 LEU CD1 C 13 22.918 0.400 . 1 . . . . 3 LEU CD1 . 15349 1 22 . 1 1 3 3 LEU CD2 C 13 22.947 0.400 . 1 . . . . 3 LEU CD2 . 15349 1 23 . 1 1 3 3 LEU CG C 13 27.006 0.400 . 1 . . . . 3 LEU CG . 15349 1 24 . 1 1 3 3 LEU N N 15 124.425 0.400 . 1 . . . . 3 LEU N . 15349 1 25 . 1 1 4 4 ASN H H 1 8.173 0.020 . 1 . . . . 4 ASN H . 15349 1 26 . 1 1 4 4 ASN HA H 1 4.295 0.020 . 1 . . . . 4 ASN HA . 15349 1 27 . 1 1 4 4 ASN HB2 H 1 2.831 0.020 . 2 . . . . 4 ASN HB2 . 15349 1 28 . 1 1 4 4 ASN HB3 H 1 2.562 0.020 . 2 . . . . 4 ASN HB3 . 15349 1 29 . 1 1 4 4 ASN HD21 H 1 7.390 0.020 . 2 . . . . 4 ASN HD21 . 15349 1 30 . 1 1 4 4 ASN HD22 H 1 6.685 0.020 . 2 . . . . 4 ASN HD22 . 15349 1 31 . 1 1 4 4 ASN C C 13 174.075 0.400 . 1 . . . . 4 ASN C . 15349 1 32 . 1 1 4 4 ASN CA C 13 53.579 0.400 . 1 . . . . 4 ASN CA . 15349 1 33 . 1 1 4 4 ASN CB C 13 38.185 0.400 . 1 . . . . 4 ASN CB . 15349 1 34 . 1 1 4 4 ASN CG C 13 177.660 0.400 . 1 . . . . 4 ASN CG . 15349 1 35 . 1 1 4 4 ASN N N 15 117.396 0.400 . 1 . . . . 4 ASN N . 15349 1 36 . 1 1 4 4 ASN ND2 N 15 111.920 0.400 . 1 . . . . 4 ASN ND2 . 15349 1 37 . 1 1 5 5 MET H H 1 7.973 0.020 . 1 . . . . 5 MET H . 15349 1 38 . 1 1 5 5 MET HA H 1 5.020 0.020 . 1 . . . . 5 MET HA . 15349 1 39 . 1 1 5 5 MET HB2 H 1 2.071 0.020 . 2 . . . . 5 MET HB2 . 15349 1 40 . 1 1 5 5 MET HB3 H 1 1.839 0.020 . 2 . . . . 5 MET HB3 . 15349 1 41 . 1 1 5 5 MET HG2 H 1 2.554 0.020 . 2 . . . . 5 MET HG2 . 15349 1 42 . 1 1 5 5 MET HG3 H 1 2.489 0.020 . 2 . . . . 5 MET HG3 . 15349 1 43 . 1 1 5 5 MET CA C 13 52.665 0.400 . 1 . . . . 5 MET CA . 15349 1 44 . 1 1 5 5 MET CB C 13 34.910 0.400 . 1 . . . . 5 MET CB . 15349 1 45 . 1 1 5 5 MET CG C 13 31.572 0.400 . 1 . . . . 5 MET CG . 15349 1 46 . 1 1 5 5 MET N N 15 120.327 0.400 . 1 . . . . 5 MET N . 15349 1 47 . 1 1 6 6 PRO HA H 1 5.030 0.020 . 1 . . . . 6 PRO HA . 15349 1 48 . 1 1 6 6 PRO HB2 H 1 1.804 0.020 . 2 . . . . 6 PRO HB2 . 15349 1 49 . 1 1 6 6 PRO HB3 H 1 2.087 0.020 . 2 . . . . 6 PRO HB3 . 15349 1 50 . 1 1 6 6 PRO HD2 H 1 3.986 0.020 . 2 . . . . 6 PRO HD2 . 15349 1 51 . 1 1 6 6 PRO HD3 H 1 3.836 0.020 . 2 . . . . 6 PRO HD3 . 15349 1 52 . 1 1 6 6 PRO HG2 H 1 2.192 0.020 . 2 . . . . 6 PRO HG2 . 15349 1 53 . 1 1 6 6 PRO HG3 H 1 1.975 0.020 . 2 . . . . 6 PRO HG3 . 15349 1 54 . 1 1 6 6 PRO C C 13 175.984 0.400 . 1 . . . . 6 PRO C . 15349 1 55 . 1 1 6 6 PRO CA C 13 62.732 0.400 . 1 . . . . 6 PRO CA . 15349 1 56 . 1 1 6 6 PRO CB C 13 32.740 0.400 . 1 . . . . 6 PRO CB . 15349 1 57 . 1 1 6 6 PRO CD C 13 50.802 0.400 . 1 . . . . 6 PRO CD . 15349 1 58 . 1 1 6 6 PRO CG C 13 27.483 0.400 . 1 . . . . 6 PRO CG . 15349 1 59 . 1 1 7 7 ALA H H 1 8.962 0.020 . 1 . . . . 7 ALA H . 15349 1 60 . 1 1 7 7 ALA HA H 1 4.811 0.020 . 1 . . . . 7 ALA HA . 15349 1 61 . 1 1 7 7 ALA HB1 H 1 1.254 0.020 . 1 . . . . 7 ALA HB . 15349 1 62 . 1 1 7 7 ALA HB2 H 1 1.254 0.020 . 1 . . . . 7 ALA HB . 15349 1 63 . 1 1 7 7 ALA HB3 H 1 1.254 0.020 . 1 . . . . 7 ALA HB . 15349 1 64 . 1 1 7 7 ALA C C 13 174.633 0.400 . 1 . . . . 7 ALA C . 15349 1 65 . 1 1 7 7 ALA CA C 13 51.202 0.400 . 1 . . . . 7 ALA CA . 15349 1 66 . 1 1 7 7 ALA CB C 13 22.025 0.400 . 1 . . . . 7 ALA CB . 15349 1 67 . 1 1 7 7 ALA N N 15 122.515 0.400 . 1 . . . . 7 ALA N . 15349 1 68 . 1 1 8 8 TYR H H 1 8.720 0.020 . 1 . . . . 8 TYR H . 15349 1 69 . 1 1 8 8 TYR HA H 1 4.963 0.020 . 1 . . . . 8 TYR HA . 15349 1 70 . 1 1 8 8 TYR HB2 H 1 2.823 0.020 . 2 . . . . 8 TYR HB2 . 15349 1 71 . 1 1 8 8 TYR HB3 H 1 2.823 0.020 . 2 . . . . 8 TYR HB3 . 15349 1 72 . 1 1 8 8 TYR HD1 H 1 6.884 0.020 . 1 . . . . 8 TYR HD1 . 15349 1 73 . 1 1 8 8 TYR HD2 H 1 6.884 0.020 . 1 . . . . 8 TYR HD2 . 15349 1 74 . 1 1 8 8 TYR HE1 H 1 6.712 0.020 . 1 . . . . 8 TYR HE1 . 15349 1 75 . 1 1 8 8 TYR HE2 H 1 6.712 0.020 . 1 . . . . 8 TYR HE2 . 15349 1 76 . 1 1 8 8 TYR C C 13 175.957 0.400 . 1 . . . . 8 TYR C . 15349 1 77 . 1 1 8 8 TYR CA C 13 57.236 0.400 . 1 . . . . 8 TYR CA . 15349 1 78 . 1 1 8 8 TYR CB C 13 40.331 0.400 . 1 . . . . 8 TYR CB . 15349 1 79 . 1 1 8 8 TYR CD1 C 13 133.280 0.400 . 1 . . . . 8 TYR CD1 . 15349 1 80 . 1 1 8 8 TYR CD2 C 13 133.279 0.400 . 1 . . . . 8 TYR CD2 . 15349 1 81 . 1 1 8 8 TYR CE1 C 13 117.900 0.400 . 1 . . . . 8 TYR CE1 . 15349 1 82 . 1 1 8 8 TYR CE2 C 13 117.901 0.400 . 1 . . . . 8 TYR CE2 . 15349 1 83 . 1 1 8 8 TYR N N 15 120.352 0.400 . 1 . . . . 8 TYR N . 15349 1 84 . 1 1 9 9 VAL H H 1 8.536 0.020 . 1 . . . . 9 VAL H . 15349 1 85 . 1 1 9 9 VAL HA H 1 3.847 0.020 . 1 . . . . 9 VAL HA . 15349 1 86 . 1 1 9 9 VAL HB H 1 1.910 0.020 . 1 . . . . 9 VAL HB . 15349 1 87 . 1 1 9 9 VAL HG11 H 1 0.645 0.020 . 2 . . . . 9 VAL HG1 . 15349 1 88 . 1 1 9 9 VAL HG12 H 1 0.645 0.020 . 2 . . . . 9 VAL HG1 . 15349 1 89 . 1 1 9 9 VAL HG13 H 1 0.645 0.020 . 2 . . . . 9 VAL HG1 . 15349 1 90 . 1 1 9 9 VAL HG21 H 1 0.604 0.020 . 2 . . . . 9 VAL HG2 . 15349 1 91 . 1 1 9 9 VAL HG22 H 1 0.604 0.020 . 2 . . . . 9 VAL HG2 . 15349 1 92 . 1 1 9 9 VAL HG23 H 1 0.604 0.020 . 2 . . . . 9 VAL HG2 . 15349 1 93 . 1 1 9 9 VAL C C 13 176.821 0.400 . 1 . . . . 9 VAL C . 15349 1 94 . 1 1 9 9 VAL CA C 13 63.701 0.400 . 1 . . . . 9 VAL CA . 15349 1 95 . 1 1 9 9 VAL CB C 13 32.129 0.400 . 1 . . . . 9 VAL CB . 15349 1 96 . 1 1 9 9 VAL CG1 C 13 24.866 0.400 . 1 . . . . 9 VAL CG1 . 15349 1 97 . 1 1 9 9 VAL CG2 C 13 22.250 0.400 . 1 . . . . 9 VAL CG2 . 15349 1 98 . 1 1 9 9 VAL N N 15 124.068 0.400 . 1 . . . . 9 VAL N . 15349 1 99 . 1 1 10 10 LYS H H 1 8.967 0.020 . 1 . . . . 10 LYS H . 15349 1 100 . 1 1 10 10 LYS HA H 1 3.938 0.020 . 1 . . . . 10 LYS HA . 15349 1 101 . 1 1 10 10 LYS HB2 H 1 0.967 0.020 . 2 . . . . 10 LYS HB2 . 15349 1 102 . 1 1 10 10 LYS HB3 H 1 0.994 0.020 . 2 . . . . 10 LYS HB3 . 15349 1 103 . 1 1 10 10 LYS HD2 H 1 1.383 0.020 . 2 . . . . 10 LYS HD2 . 15349 1 104 . 1 1 10 10 LYS HD3 H 1 1.383 0.020 . 2 . . . . 10 LYS HD3 . 15349 1 105 . 1 1 10 10 LYS HE2 H 1 2.688 0.020 . 2 . . . . 10 LYS HE2 . 15349 1 106 . 1 1 10 10 LYS HE3 H 1 2.628 0.020 . 2 . . . . 10 LYS HE3 . 15349 1 107 . 1 1 10 10 LYS HG2 H 1 1.057 0.020 . 2 . . . . 10 LYS HG2 . 15349 1 108 . 1 1 10 10 LYS HG3 H 1 0.992 0.020 . 2 . . . . 10 LYS HG3 . 15349 1 109 . 1 1 10 10 LYS C C 13 175.091 0.400 . 1 . . . . 10 LYS C . 15349 1 110 . 1 1 10 10 LYS CA C 13 57.839 0.400 . 1 . . . . 10 LYS CA . 15349 1 111 . 1 1 10 10 LYS CB C 13 33.742 0.400 . 1 . . . . 10 LYS CB . 15349 1 112 . 1 1 10 10 LYS CD C 13 28.934 0.400 . 1 . . . . 10 LYS CD . 15349 1 113 . 1 1 10 10 LYS CE C 13 41.571 0.400 . 1 . . . . 10 LYS CE . 15349 1 114 . 1 1 10 10 LYS CG C 13 24.739 0.400 . 1 . . . . 10 LYS CG . 15349 1 115 . 1 1 10 10 LYS N N 15 129.334 0.400 . 1 . . . . 10 LYS N . 15349 1 116 . 1 1 11 11 PHE H H 1 7.041 0.020 . 1 . . . . 11 PHE H . 15349 1 117 . 1 1 11 11 PHE HA H 1 4.840 0.020 . 1 . . . . 11 PHE HA . 15349 1 118 . 1 1 11 11 PHE HB2 H 1 3.226 0.020 . 2 . . . . 11 PHE HB2 . 15349 1 119 . 1 1 11 11 PHE HB3 H 1 2.599 0.020 . 2 . . . . 11 PHE HB3 . 15349 1 120 . 1 1 11 11 PHE HD1 H 1 6.920 0.020 . 1 . . . . 11 PHE HD1 . 15349 1 121 . 1 1 11 11 PHE HD2 H 1 6.920 0.020 . 1 . . . . 11 PHE HD2 . 15349 1 122 . 1 1 11 11 PHE C C 13 173.043 0.400 . 1 . . . . 11 PHE C . 15349 1 123 . 1 1 11 11 PHE CA C 13 54.487 0.400 . 1 . . . . 11 PHE CA . 15349 1 124 . 1 1 11 11 PHE CB C 13 42.672 0.400 . 1 . . . . 11 PHE CB . 15349 1 125 . 1 1 11 11 PHE CD1 C 13 132.750 0.400 . 1 . . . . 11 PHE CD1 . 15349 1 126 . 1 1 11 11 PHE CD2 C 13 132.749 0.400 . 1 . . . . 11 PHE CD2 . 15349 1 127 . 1 1 11 11 PHE N N 15 113.819 0.400 . 1 . . . . 11 PHE N . 15349 1 128 . 1 1 12 12 ASN H H 1 8.423 0.020 . 1 . . . . 12 ASN H . 15349 1 129 . 1 1 12 12 ASN HA H 1 4.606 0.020 . 1 . . . . 12 ASN HA . 15349 1 130 . 1 1 12 12 ASN HB2 H 1 2.789 0.020 . 2 . . . . 12 ASN HB2 . 15349 1 131 . 1 1 12 12 ASN HB3 H 1 2.649 0.020 . 2 . . . . 12 ASN HB3 . 15349 1 132 . 1 1 12 12 ASN C C 13 175.343 0.400 . 1 . . . . 12 ASN C . 15349 1 133 . 1 1 12 12 ASN CA C 13 53.757 0.400 . 1 . . . . 12 ASN CA . 15349 1 134 . 1 1 12 12 ASN CB C 13 39.218 0.400 . 1 . . . . 12 ASN CB . 15349 1 135 . 1 1 12 12 ASN N N 15 116.457 0.400 . 1 . . . . 12 ASN N . 15349 1 136 . 1 1 13 13 TYR H H 1 8.681 0.020 . 1 . . . . 13 TYR H . 15349 1 137 . 1 1 13 13 TYR HA H 1 4.726 0.020 . 1 . . . . 13 TYR HA . 15349 1 138 . 1 1 13 13 TYR HB2 H 1 2.774 0.020 . 2 . . . . 13 TYR HB2 . 15349 1 139 . 1 1 13 13 TYR HB3 H 1 2.431 0.020 . 2 . . . . 13 TYR HB3 . 15349 1 140 . 1 1 13 13 TYR HD1 H 1 7.047 0.020 . 1 . . . . 13 TYR HD1 . 15349 1 141 . 1 1 13 13 TYR HD2 H 1 7.047 0.020 . 1 . . . . 13 TYR HD2 . 15349 1 142 . 1 1 13 13 TYR HE1 H 1 6.879 0.020 . 1 . . . . 13 TYR HE1 . 15349 1 143 . 1 1 13 13 TYR HE2 H 1 6.879 0.020 . 1 . . . . 13 TYR HE2 . 15349 1 144 . 1 1 13 13 TYR C C 13 174.193 0.400 . 1 . . . . 13 TYR C . 15349 1 145 . 1 1 13 13 TYR CA C 13 57.775 0.400 . 1 . . . . 13 TYR CA . 15349 1 146 . 1 1 13 13 TYR CB C 13 42.124 0.400 . 1 . . . . 13 TYR CB . 15349 1 147 . 1 1 13 13 TYR CD1 C 13 133.150 0.400 . 1 . . . . 13 TYR CD1 . 15349 1 148 . 1 1 13 13 TYR CD2 C 13 133.149 0.400 . 1 . . . . 13 TYR CD2 . 15349 1 149 . 1 1 13 13 TYR CE1 C 13 118.180 0.400 . 1 . . . . 13 TYR CE1 . 15349 1 150 . 1 1 13 13 TYR CE2 C 13 118.179 0.400 . 1 . . . . 13 TYR CE2 . 15349 1 151 . 1 1 13 13 TYR N N 15 120.929 0.400 . 1 . . . . 13 TYR N . 15349 1 152 . 1 1 14 14 MET H H 1 7.767 0.020 . 1 . . . . 14 MET H . 15349 1 153 . 1 1 14 14 MET HA H 1 4.503 0.020 . 1 . . . . 14 MET HA . 15349 1 154 . 1 1 14 14 MET HB2 H 1 1.783 0.020 . 2 . . . . 14 MET HB2 . 15349 1 155 . 1 1 14 14 MET HB3 H 1 1.731 0.020 . 2 . . . . 14 MET HB3 . 15349 1 156 . 1 1 14 14 MET HG2 H 1 2.453 0.020 . 2 . . . . 14 MET HG2 . 15349 1 157 . 1 1 14 14 MET HG3 H 1 2.385 0.020 . 2 . . . . 14 MET HG3 . 15349 1 158 . 1 1 14 14 MET C C 13 173.211 0.400 . 1 . . . . 14 MET C . 15349 1 159 . 1 1 14 14 MET CA C 13 53.108 0.400 . 1 . . . . 14 MET CA . 15349 1 160 . 1 1 14 14 MET CB C 13 32.075 0.400 . 1 . . . . 14 MET CB . 15349 1 161 . 1 1 14 14 MET CG C 13 31.694 0.400 . 1 . . . . 14 MET CG . 15349 1 162 . 1 1 14 14 MET N N 15 128.379 0.400 . 1 . . . . 14 MET N . 15349 1 163 . 1 1 15 15 ALA H H 1 8.098 0.020 . 1 . . . . 15 ALA H . 15349 1 164 . 1 1 15 15 ALA HA H 1 4.107 0.020 . 1 . . . . 15 ALA HA . 15349 1 165 . 1 1 15 15 ALA HB1 H 1 1.371 0.020 . 1 . . . . 15 ALA HB . 15349 1 166 . 1 1 15 15 ALA HB2 H 1 1.371 0.020 . 1 . . . . 15 ALA HB . 15349 1 167 . 1 1 15 15 ALA HB3 H 1 1.371 0.020 . 1 . . . . 15 ALA HB . 15349 1 168 . 1 1 15 15 ALA C C 13 178.675 0.400 . 1 . . . . 15 ALA C . 15349 1 169 . 1 1 15 15 ALA CA C 13 53.279 0.400 . 1 . . . . 15 ALA CA . 15349 1 170 . 1 1 15 15 ALA CB C 13 20.288 0.400 . 1 . . . . 15 ALA CB . 15349 1 171 . 1 1 15 15 ALA N N 15 126.765 0.400 . 1 . . . . 15 ALA N . 15349 1 172 . 1 1 16 16 GLU H H 1 8.861 0.020 . 1 . . . . 16 GLU H . 15349 1 173 . 1 1 16 16 GLU HA H 1 4.368 0.020 . 1 . . . . 16 GLU HA . 15349 1 174 . 1 1 16 16 GLU HB2 H 1 2.200 0.020 . 2 . . . . 16 GLU HB2 . 15349 1 175 . 1 1 16 16 GLU HB3 H 1 2.120 0.020 . 2 . . . . 16 GLU HB3 . 15349 1 176 . 1 1 16 16 GLU HG2 H 1 2.497 0.020 . 2 . . . . 16 GLU HG2 . 15349 1 177 . 1 1 16 16 GLU HG3 H 1 2.241 0.020 . 2 . . . . 16 GLU HG3 . 15349 1 178 . 1 1 16 16 GLU C C 13 176.031 0.400 . 1 . . . . 16 GLU C . 15349 1 179 . 1 1 16 16 GLU CA C 13 56.290 0.400 . 1 . . . . 16 GLU CA . 15349 1 180 . 1 1 16 16 GLU CB C 13 31.608 0.400 . 1 . . . . 16 GLU CB . 15349 1 181 . 1 1 16 16 GLU CG C 13 36.263 0.400 . 1 . . . . 16 GLU CG . 15349 1 182 . 1 1 16 16 GLU N N 15 121.086 0.400 . 1 . . . . 16 GLU N . 15349 1 183 . 1 1 17 17 ARG H H 1 7.310 0.020 . 1 . . . . 17 ARG H . 15349 1 184 . 1 1 17 17 ARG HA H 1 4.621 0.020 . 1 . . . . 17 ARG HA . 15349 1 185 . 1 1 17 17 ARG HB2 H 1 2.059 0.020 . 2 . . . . 17 ARG HB2 . 15349 1 186 . 1 1 17 17 ARG HB3 H 1 1.667 0.020 . 2 . . . . 17 ARG HB3 . 15349 1 187 . 1 1 17 17 ARG HD2 H 1 3.137 0.020 . 2 . . . . 17 ARG HD2 . 15349 1 188 . 1 1 17 17 ARG HD3 H 1 3.137 0.020 . 2 . . . . 17 ARG HD3 . 15349 1 189 . 1 1 17 17 ARG HG2 H 1 1.657 0.020 . 2 . . . . 17 ARG HG2 . 15349 1 190 . 1 1 17 17 ARG HG3 H 1 1.521 0.020 . 2 . . . . 17 ARG HG3 . 15349 1 191 . 1 1 17 17 ARG C C 13 177.291 0.400 . 1 . . . . 17 ARG C . 15349 1 192 . 1 1 17 17 ARG CA C 13 54.402 0.400 . 1 . . . . 17 ARG CA . 15349 1 193 . 1 1 17 17 ARG CB C 13 34.605 0.400 . 1 . . . . 17 ARG CB . 15349 1 194 . 1 1 17 17 ARG CD C 13 43.223 0.400 . 1 . . . . 17 ARG CD . 15349 1 195 . 1 1 17 17 ARG CG C 13 27.020 0.400 . 1 . . . . 17 ARG CG . 15349 1 196 . 1 1 17 17 ARG N N 15 115.708 0.400 . 1 . . . . 17 ARG N . 15349 1 197 . 1 1 18 18 GLU H H 1 8.958 0.020 . 1 . . . . 18 GLU H . 15349 1 198 . 1 1 18 18 GLU HA H 1 4.167 0.020 . 1 . . . . 18 GLU HA . 15349 1 199 . 1 1 18 18 GLU HB2 H 1 2.104 0.020 . 2 . . . . 18 GLU HB2 . 15349 1 200 . 1 1 18 18 GLU HB3 H 1 2.104 0.020 . 2 . . . . 18 GLU HB3 . 15349 1 201 . 1 1 18 18 GLU HG2 H 1 2.363 0.020 . 2 . . . . 18 GLU HG2 . 15349 1 202 . 1 1 18 18 GLU HG3 H 1 2.363 0.020 . 2 . . . . 18 GLU HG3 . 15349 1 203 . 1 1 18 18 GLU C C 13 176.229 0.400 . 1 . . . . 18 GLU C . 15349 1 204 . 1 1 18 18 GLU CA C 13 59.121 0.400 . 1 . . . . 18 GLU CA . 15349 1 205 . 1 1 18 18 GLU CB C 13 29.596 0.400 . 1 . . . . 18 GLU CB . 15349 1 206 . 1 1 18 18 GLU CG C 13 36.247 0.400 . 1 . . . . 18 GLU CG . 15349 1 207 . 1 1 18 18 GLU N N 15 120.435 0.400 . 1 . . . . 18 GLU N . 15349 1 208 . 1 1 19 19 ASP H H 1 8.362 0.020 . 1 . . . . 19 ASP H . 15349 1 209 . 1 1 19 19 ASP HA H 1 4.884 0.020 . 1 . . . . 19 ASP HA . 15349 1 210 . 1 1 19 19 ASP HB2 H 1 3.037 0.020 . 2 . . . . 19 ASP HB2 . 15349 1 211 . 1 1 19 19 ASP HB3 H 1 2.872 0.020 . 2 . . . . 19 ASP HB3 . 15349 1 212 . 1 1 19 19 ASP C C 13 176.279 0.400 . 1 . . . . 19 ASP C . 15349 1 213 . 1 1 19 19 ASP CA C 13 53.800 0.400 . 1 . . . . 19 ASP CA . 15349 1 214 . 1 1 19 19 ASP CB C 13 40.165 0.400 . 1 . . . . 19 ASP CB . 15349 1 215 . 1 1 19 19 ASP N N 15 114.666 0.400 . 1 . . . . 19 ASP N . 15349 1 216 . 1 1 20 20 GLU H H 1 7.546 0.020 . 1 . . . . 20 GLU H . 15349 1 217 . 1 1 20 20 GLU HA H 1 5.509 0.020 . 1 . . . . 20 GLU HA . 15349 1 218 . 1 1 20 20 GLU HB2 H 1 2.615 0.020 . 2 . . . . 20 GLU HB2 . 15349 1 219 . 1 1 20 20 GLU HB3 H 1 2.337 0.020 . 2 . . . . 20 GLU HB3 . 15349 1 220 . 1 1 20 20 GLU HG2 H 1 2.534 0.020 . 2 . . . . 20 GLU HG2 . 15349 1 221 . 1 1 20 20 GLU HG3 H 1 2.324 0.020 . 2 . . . . 20 GLU HG3 . 15349 1 222 . 1 1 20 20 GLU C C 13 175.590 0.400 . 1 . . . . 20 GLU C . 15349 1 223 . 1 1 20 20 GLU CA C 13 55.346 0.400 . 1 . . . . 20 GLU CA . 15349 1 224 . 1 1 20 20 GLU CB C 13 33.298 0.400 . 1 . . . . 20 GLU CB . 15349 1 225 . 1 1 20 20 GLU CG C 13 37.108 0.400 . 1 . . . . 20 GLU CG . 15349 1 226 . 1 1 20 20 GLU N N 15 117.784 0.400 . 1 . . . . 20 GLU N . 15349 1 227 . 1 1 21 21 LEU H H 1 8.826 0.020 . 1 . . . . 21 LEU H . 15349 1 228 . 1 1 21 21 LEU HA H 1 4.616 0.020 . 1 . . . . 21 LEU HA . 15349 1 229 . 1 1 21 21 LEU HB2 H 1 1.715 0.020 . 2 . . . . 21 LEU HB2 . 15349 1 230 . 1 1 21 21 LEU HB3 H 1 1.041 0.020 . 2 . . . . 21 LEU HB3 . 15349 1 231 . 1 1 21 21 LEU HD11 H 1 0.736 0.020 . 2 . . . . 21 LEU HD1 . 15349 1 232 . 1 1 21 21 LEU HD12 H 1 0.736 0.020 . 2 . . . . 21 LEU HD1 . 15349 1 233 . 1 1 21 21 LEU HD13 H 1 0.736 0.020 . 2 . . . . 21 LEU HD1 . 15349 1 234 . 1 1 21 21 LEU HD21 H 1 0.907 0.020 . 2 . . . . 21 LEU HD2 . 15349 1 235 . 1 1 21 21 LEU HD22 H 1 0.907 0.020 . 2 . . . . 21 LEU HD2 . 15349 1 236 . 1 1 21 21 LEU HD23 H 1 0.907 0.020 . 2 . . . . 21 LEU HD2 . 15349 1 237 . 1 1 21 21 LEU HG H 1 1.585 0.020 . 1 . . . . 21 LEU HG . 15349 1 238 . 1 1 21 21 LEU C C 13 175.387 0.400 . 1 . . . . 21 LEU C . 15349 1 239 . 1 1 21 21 LEU CA C 13 53.324 0.400 . 1 . . . . 21 LEU CA . 15349 1 240 . 1 1 21 21 LEU CB C 13 46.193 0.400 . 1 . . . . 21 LEU CB . 15349 1 241 . 1 1 21 21 LEU CD1 C 13 24.928 0.400 . 1 . . . . 21 LEU CD1 . 15349 1 242 . 1 1 21 21 LEU CD2 C 13 24.690 0.400 . 1 . . . . 21 LEU CD2 . 15349 1 243 . 1 1 21 21 LEU CG C 13 26.587 0.400 . 1 . . . . 21 LEU CG . 15349 1 244 . 1 1 21 21 LEU N N 15 124.142 0.400 . 1 . . . . 21 LEU N . 15349 1 245 . 1 1 22 22 SER H H 1 7.893 0.020 . 1 . . . . 22 SER H . 15349 1 246 . 1 1 22 22 SER HA H 1 4.836 0.020 . 1 . . . . 22 SER HA . 15349 1 247 . 1 1 22 22 SER HB2 H 1 4.003 0.020 . 2 . . . . 22 SER HB2 . 15349 1 248 . 1 1 22 22 SER HB3 H 1 3.877 0.020 . 2 . . . . 22 SER HB3 . 15349 1 249 . 1 1 22 22 SER C C 13 173.707 0.400 . 1 . . . . 22 SER C . 15349 1 250 . 1 1 22 22 SER CA C 13 59.350 0.400 . 1 . . . . 22 SER CA . 15349 1 251 . 1 1 22 22 SER CB C 13 63.550 0.400 . 1 . . . . 22 SER CB . 15349 1 252 . 1 1 22 22 SER N N 15 118.178 0.400 . 1 . . . . 22 SER N . 15349 1 253 . 1 1 23 23 LEU H H 1 9.051 0.020 . 1 . . . . 23 LEU H . 15349 1 254 . 1 1 23 23 LEU HA H 1 4.561 0.020 . 1 . . . . 23 LEU HA . 15349 1 255 . 1 1 23 23 LEU HB2 H 1 1.318 0.020 . 2 . . . . 23 LEU HB2 . 15349 1 256 . 1 1 23 23 LEU HB3 H 1 1.706 0.020 . 2 . . . . 23 LEU HB3 . 15349 1 257 . 1 1 23 23 LEU HD11 H 1 0.429 0.020 . 2 . . . . 23 LEU HD1 . 15349 1 258 . 1 1 23 23 LEU HD12 H 1 0.429 0.020 . 2 . . . . 23 LEU HD1 . 15349 1 259 . 1 1 23 23 LEU HD13 H 1 0.429 0.020 . 2 . . . . 23 LEU HD1 . 15349 1 260 . 1 1 23 23 LEU HD21 H 1 0.023 0.020 . 2 . . . . 23 LEU HD2 . 15349 1 261 . 1 1 23 23 LEU HD22 H 1 0.023 0.020 . 2 . . . . 23 LEU HD2 . 15349 1 262 . 1 1 23 23 LEU HD23 H 1 0.023 0.020 . 2 . . . . 23 LEU HD2 . 15349 1 263 . 1 1 23 23 LEU HG H 1 1.668 0.020 . 1 . . . . 23 LEU HG . 15349 1 264 . 1 1 23 23 LEU C C 13 177.348 0.400 . 1 . . . . 23 LEU C . 15349 1 265 . 1 1 23 23 LEU CA C 13 52.832 0.400 . 1 . . . . 23 LEU CA . 15349 1 266 . 1 1 23 23 LEU CB C 13 45.361 0.400 . 1 . . . . 23 LEU CB . 15349 1 267 . 1 1 23 23 LEU CD1 C 13 25.645 0.400 . 1 . . . . 23 LEU CD1 . 15349 1 268 . 1 1 23 23 LEU CD2 C 13 21.816 0.400 . 1 . . . . 23 LEU CD2 . 15349 1 269 . 1 1 23 23 LEU CG C 13 25.694 0.400 . 1 . . . . 23 LEU CG . 15349 1 270 . 1 1 23 23 LEU N N 15 121.478 0.400 . 1 . . . . 23 LEU N . 15349 1 271 . 1 1 24 24 ILE H H 1 8.523 0.020 . 1 . . . . 24 ILE H . 15349 1 272 . 1 1 24 24 ILE HA H 1 4.343 0.020 . 1 . . . . 24 ILE HA . 15349 1 273 . 1 1 24 24 ILE HB H 1 1.484 0.020 . 1 . . . . 24 ILE HB . 15349 1 274 . 1 1 24 24 ILE HD11 H 1 0.810 0.020 . 1 . . . . 24 ILE HD1 . 15349 1 275 . 1 1 24 24 ILE HD12 H 1 0.810 0.020 . 1 . . . . 24 ILE HD1 . 15349 1 276 . 1 1 24 24 ILE HD13 H 1 0.810 0.020 . 1 . . . . 24 ILE HD1 . 15349 1 277 . 1 1 24 24 ILE HG12 H 1 1.349 0.020 . 2 . . . . 24 ILE HG12 . 15349 1 278 . 1 1 24 24 ILE HG13 H 1 1.035 0.020 . 2 . . . . 24 ILE HG13 . 15349 1 279 . 1 1 24 24 ILE HG21 H 1 0.874 0.020 . 1 . . . . 24 ILE HG2 . 15349 1 280 . 1 1 24 24 ILE HG22 H 1 0.874 0.020 . 1 . . . . 24 ILE HG2 . 15349 1 281 . 1 1 24 24 ILE HG23 H 1 0.874 0.020 . 1 . . . . 24 ILE HG2 . 15349 1 282 . 1 1 24 24 ILE C C 13 175.616 0.400 . 1 . . . . 24 ILE C . 15349 1 283 . 1 1 24 24 ILE CA C 13 59.114 0.400 . 1 . . . . 24 ILE CA . 15349 1 284 . 1 1 24 24 ILE CB C 13 38.899 0.400 . 1 . . . . 24 ILE CB . 15349 1 285 . 1 1 24 24 ILE CD1 C 13 12.486 0.400 . 1 . . . . 24 ILE CD1 . 15349 1 286 . 1 1 24 24 ILE CG1 C 13 27.212 0.400 . 1 . . . . 24 ILE CG1 . 15349 1 287 . 1 1 24 24 ILE CG2 C 13 16.984 0.400 . 1 . . . . 24 ILE CG2 . 15349 1 288 . 1 1 24 24 ILE N N 15 123.637 0.400 . 1 . . . . 24 ILE N . 15349 1 289 . 1 1 25 25 LYS H H 1 8.668 0.020 . 1 . . . . 25 LYS H . 15349 1 290 . 1 1 25 25 LYS HA H 1 3.291 0.020 . 1 . . . . 25 LYS HA . 15349 1 291 . 1 1 25 25 LYS HB2 H 1 1.588 0.020 . 2 . . . . 25 LYS HB2 . 15349 1 292 . 1 1 25 25 LYS HB3 H 1 1.472 0.020 . 2 . . . . 25 LYS HB3 . 15349 1 293 . 1 1 25 25 LYS HD2 H 1 1.676 0.020 . 2 . . . . 25 LYS HD2 . 15349 1 294 . 1 1 25 25 LYS HD3 H 1 1.647 0.020 . 2 . . . . 25 LYS HD3 . 15349 1 295 . 1 1 25 25 LYS HE2 H 1 2.997 0.020 . 2 . . . . 25 LYS HE2 . 15349 1 296 . 1 1 25 25 LYS HE3 H 1 2.997 0.020 . 2 . . . . 25 LYS HE3 . 15349 1 297 . 1 1 25 25 LYS HG2 H 1 1.166 0.020 . 2 . . . . 25 LYS HG2 . 15349 1 298 . 1 1 25 25 LYS HG3 H 1 1.166 0.020 . 2 . . . . 25 LYS HG3 . 15349 1 299 . 1 1 25 25 LYS C C 13 176.295 0.400 . 1 . . . . 25 LYS C . 15349 1 300 . 1 1 25 25 LYS CA C 13 58.580 0.400 . 1 . . . . 25 LYS CA . 15349 1 301 . 1 1 25 25 LYS CB C 13 32.513 0.400 . 1 . . . . 25 LYS CB . 15349 1 302 . 1 1 25 25 LYS CD C 13 29.617 0.400 . 1 . . . . 25 LYS CD . 15349 1 303 . 1 1 25 25 LYS CE C 13 41.921 0.400 . 1 . . . . 25 LYS CE . 15349 1 304 . 1 1 25 25 LYS CG C 13 24.115 0.400 . 1 . . . . 25 LYS CG . 15349 1 305 . 1 1 25 25 LYS N N 15 129.247 0.400 . 1 . . . . 25 LYS N . 15349 1 306 . 1 1 26 26 GLY H H 1 8.677 0.020 . 1 . . . . 26 GLY H . 15349 1 307 . 1 1 26 26 GLY HA2 H 1 4.273 0.020 . 2 . . . . 26 GLY HA2 . 15349 1 308 . 1 1 26 26 GLY HA3 H 1 3.725 0.020 . 2 . . . . 26 GLY HA3 . 15349 1 309 . 1 1 26 26 GLY C C 13 174.532 0.400 . 1 . . . . 26 GLY C . 15349 1 310 . 1 1 26 26 GLY CA C 13 44.962 0.400 . 1 . . . . 26 GLY CA . 15349 1 311 . 1 1 26 26 GLY N N 15 112.648 0.400 . 1 . . . . 26 GLY N . 15349 1 312 . 1 1 27 27 THR H H 1 7.306 0.020 . 1 . . . . 27 THR H . 15349 1 313 . 1 1 27 27 THR HA H 1 4.598 0.020 . 1 . . . . 27 THR HA . 15349 1 314 . 1 1 27 27 THR HB H 1 4.317 0.020 . 1 . . . . 27 THR HB . 15349 1 315 . 1 1 27 27 THR HG21 H 1 1.101 0.020 . 1 . . . . 27 THR HG2 . 15349 1 316 . 1 1 27 27 THR HG22 H 1 1.101 0.020 . 1 . . . . 27 THR HG2 . 15349 1 317 . 1 1 27 27 THR HG23 H 1 1.101 0.020 . 1 . . . . 27 THR HG2 . 15349 1 318 . 1 1 27 27 THR C C 13 171.869 0.400 . 1 . . . . 27 THR C . 15349 1 319 . 1 1 27 27 THR CA C 13 60.880 0.400 . 1 . . . . 27 THR CA . 15349 1 320 . 1 1 27 27 THR CB C 13 71.965 0.400 . 1 . . . . 27 THR CB . 15349 1 321 . 1 1 27 27 THR CG2 C 13 21.887 0.400 . 1 . . . . 27 THR CG2 . 15349 1 322 . 1 1 27 27 THR N N 15 109.830 0.400 . 1 . . . . 27 THR N . 15349 1 323 . 1 1 28 28 LYS H H 1 8.070 0.020 . 1 . . . . 28 LYS H . 15349 1 324 . 1 1 28 28 LYS HA H 1 5.153 0.020 . 1 . . . . 28 LYS HA . 15349 1 325 . 1 1 28 28 LYS HB2 H 1 1.658 0.020 . 2 . . . . 28 LYS HB2 . 15349 1 326 . 1 1 28 28 LYS HB3 H 1 1.640 0.020 . 2 . . . . 28 LYS HB3 . 15349 1 327 . 1 1 28 28 LYS HD2 H 1 1.628 0.020 . 2 . . . . 28 LYS HD2 . 15349 1 328 . 1 1 28 28 LYS HD3 H 1 1.628 0.020 . 2 . . . . 28 LYS HD3 . 15349 1 329 . 1 1 28 28 LYS HE2 H 1 2.883 0.020 . 2 . . . . 28 LYS HE2 . 15349 1 330 . 1 1 28 28 LYS HE3 H 1 2.883 0.020 . 2 . . . . 28 LYS HE3 . 15349 1 331 . 1 1 28 28 LYS HG2 H 1 1.262 0.020 . 2 . . . . 28 LYS HG2 . 15349 1 332 . 1 1 28 28 LYS HG3 H 1 1.113 0.020 . 2 . . . . 28 LYS HG3 . 15349 1 333 . 1 1 28 28 LYS C C 13 175.852 0.400 . 1 . . . . 28 LYS C . 15349 1 334 . 1 1 28 28 LYS CA C 13 54.924 0.400 . 1 . . . . 28 LYS CA . 15349 1 335 . 1 1 28 28 LYS CB C 13 34.730 0.400 . 1 . . . . 28 LYS CB . 15349 1 336 . 1 1 28 28 LYS CD C 13 29.501 0.400 . 1 . . . . 28 LYS CD . 15349 1 337 . 1 1 28 28 LYS CE C 13 41.732 0.400 . 1 . . . . 28 LYS CE . 15349 1 338 . 1 1 28 28 LYS CG C 13 24.686 0.400 . 1 . . . . 28 LYS CG . 15349 1 339 . 1 1 28 28 LYS N N 15 117.752 0.400 . 1 . . . . 28 LYS N . 15349 1 340 . 1 1 29 29 VAL H H 1 8.772 0.020 . 1 . . . . 29 VAL H . 15349 1 341 . 1 1 29 29 VAL HA H 1 4.747 0.020 . 1 . . . . 29 VAL HA . 15349 1 342 . 1 1 29 29 VAL HB H 1 1.686 0.020 . 1 . . . . 29 VAL HB . 15349 1 343 . 1 1 29 29 VAL HG11 H 1 0.499 0.020 . 1 . . . . 29 VAL HG11 . 15349 1 344 . 1 1 29 29 VAL HG12 H 1 0.499 0.020 . 1 . . . . 29 VAL HG11 . 15349 1 345 . 1 1 29 29 VAL HG13 H 1 0.499 0.020 . 1 . . . . 29 VAL HG11 . 15349 1 346 . 1 1 29 29 VAL HG21 H 1 0.466 0.020 . 1 . . . . 29 VAL HG21 . 15349 1 347 . 1 1 29 29 VAL HG22 H 1 0.466 0.020 . 1 . . . . 29 VAL HG21 . 15349 1 348 . 1 1 29 29 VAL HG23 H 1 0.466 0.020 . 1 . . . . 29 VAL HG21 . 15349 1 349 . 1 1 29 29 VAL C C 13 174.088 0.400 . 1 . . . . 29 VAL C . 15349 1 350 . 1 1 29 29 VAL CA C 13 58.898 0.400 . 1 . . . . 29 VAL CA . 15349 1 351 . 1 1 29 29 VAL CB C 13 34.785 0.400 . 1 . . . . 29 VAL CB . 15349 1 352 . 1 1 29 29 VAL CG1 C 13 21.090 0.400 . 1 . . . . 29 VAL CG1 . 15349 1 353 . 1 1 29 29 VAL CG2 C 13 20.120 0.400 . 1 . . . . 29 VAL CG2 . 15349 1 354 . 1 1 29 29 VAL N N 15 119.844 0.400 . 1 . . . . 29 VAL N . 15349 1 355 . 1 1 30 30 ILE H H 1 8.285 0.020 . 1 . . . . 30 ILE H . 15349 1 356 . 1 1 30 30 ILE HA H 1 4.359 0.020 . 1 . . . . 30 ILE HA . 15349 1 357 . 1 1 30 30 ILE HB H 1 2.073 0.020 . 1 . . . . 30 ILE HB . 15349 1 358 . 1 1 30 30 ILE HD11 H 1 0.675 0.020 . 1 . . . . 30 ILE HD1 . 15349 1 359 . 1 1 30 30 ILE HD12 H 1 0.675 0.020 . 1 . . . . 30 ILE HD1 . 15349 1 360 . 1 1 30 30 ILE HD13 H 1 0.675 0.020 . 1 . . . . 30 ILE HD1 . 15349 1 361 . 1 1 30 30 ILE HG12 H 1 1.356 0.020 . 2 . . . . 30 ILE HG12 . 15349 1 362 . 1 1 30 30 ILE HG13 H 1 1.425 0.020 . 2 . . . . 30 ILE HG13 . 15349 1 363 . 1 1 30 30 ILE HG21 H 1 0.660 0.020 . 1 . . . . 30 ILE HG2 . 15349 1 364 . 1 1 30 30 ILE HG22 H 1 0.660 0.020 . 1 . . . . 30 ILE HG2 . 15349 1 365 . 1 1 30 30 ILE HG23 H 1 0.660 0.020 . 1 . . . . 30 ILE HG2 . 15349 1 366 . 1 1 30 30 ILE C C 13 175.967 0.400 . 1 . . . . 30 ILE C . 15349 1 367 . 1 1 30 30 ILE CA C 13 59.132 0.400 . 1 . . . . 30 ILE CA . 15349 1 368 . 1 1 30 30 ILE CB C 13 37.048 0.400 . 1 . . . . 30 ILE CB . 15349 1 369 . 1 1 30 30 ILE CD1 C 13 10.305 0.400 . 1 . . . . 30 ILE CD1 . 15349 1 370 . 1 1 30 30 ILE CG1 C 13 26.671 0.400 . 1 . . . . 30 ILE CG1 . 15349 1 371 . 1 1 30 30 ILE CG2 C 13 17.390 0.400 . 1 . . . . 30 ILE CG2 . 15349 1 372 . 1 1 30 30 ILE N N 15 122.376 0.400 . 1 . . . . 30 ILE N . 15349 1 373 . 1 1 31 31 VAL H H 1 9.372 0.020 . 1 . . . . 31 VAL H . 15349 1 374 . 1 1 31 31 VAL HA H 1 3.973 0.020 . 1 . . . . 31 VAL HA . 15349 1 375 . 1 1 31 31 VAL HB H 1 2.231 0.020 . 1 . . . . 31 VAL HB . 15349 1 376 . 1 1 31 31 VAL HG11 H 1 0.578 0.020 . 2 . . . . 31 VAL HG1 . 15349 1 377 . 1 1 31 31 VAL HG12 H 1 0.578 0.020 . 2 . . . . 31 VAL HG1 . 15349 1 378 . 1 1 31 31 VAL HG13 H 1 0.578 0.020 . 2 . . . . 31 VAL HG1 . 15349 1 379 . 1 1 31 31 VAL HG21 H 1 1.250 0.020 . 2 . . . . 31 VAL HG2 . 15349 1 380 . 1 1 31 31 VAL HG22 H 1 1.250 0.020 . 2 . . . . 31 VAL HG2 . 15349 1 381 . 1 1 31 31 VAL HG23 H 1 1.250 0.020 . 2 . . . . 31 VAL HG2 . 15349 1 382 . 1 1 31 31 VAL C C 13 175.311 0.400 . 1 . . . . 31 VAL C . 15349 1 383 . 1 1 31 31 VAL CA C 13 64.619 0.400 . 1 . . . . 31 VAL CA . 15349 1 384 . 1 1 31 31 VAL CB C 13 31.987 0.400 . 1 . . . . 31 VAL CB . 15349 1 385 . 1 1 31 31 VAL CG1 C 13 22.130 0.400 . 1 . . . . 31 VAL CG1 . 15349 1 386 . 1 1 31 31 VAL CG2 C 13 23.169 0.400 . 1 . . . . 31 VAL CG2 . 15349 1 387 . 1 1 31 31 VAL N N 15 128.775 0.400 . 1 . . . . 31 VAL N . 15349 1 388 . 1 1 32 32 MET H H 1 9.366 0.020 . 1 . . . . 32 MET H . 15349 1 389 . 1 1 32 32 MET HA H 1 4.659 0.020 . 1 . . . . 32 MET HA . 15349 1 390 . 1 1 32 32 MET HB2 H 1 2.269 0.020 . 2 . . . . 32 MET HB2 . 15349 1 391 . 1 1 32 32 MET HB3 H 1 1.455 0.020 . 2 . . . . 32 MET HB3 . 15349 1 392 . 1 1 32 32 MET HE1 H 1 1.988 0.020 . 1 . . . . 32 MET HE . 15349 1 393 . 1 1 32 32 MET HE2 H 1 1.988 0.020 . 1 . . . . 32 MET HE . 15349 1 394 . 1 1 32 32 MET HE3 H 1 1.988 0.020 . 1 . . . . 32 MET HE . 15349 1 395 . 1 1 32 32 MET HG2 H 1 2.526 0.020 . 2 . . . . 32 MET HG2 . 15349 1 396 . 1 1 32 32 MET HG3 H 1 2.407 0.020 . 2 . . . . 32 MET HG3 . 15349 1 397 . 1 1 32 32 MET C C 13 176.347 0.400 . 1 . . . . 32 MET C . 15349 1 398 . 1 1 32 32 MET CA C 13 56.588 0.400 . 1 . . . . 32 MET CA . 15349 1 399 . 1 1 32 32 MET CB C 13 36.234 0.400 . 1 . . . . 32 MET CB . 15349 1 400 . 1 1 32 32 MET CE C 13 16.826 0.400 . 1 . . . . 32 MET CE . 15349 1 401 . 1 1 32 32 MET CG C 13 31.191 0.400 . 1 . . . . 32 MET CG . 15349 1 402 . 1 1 32 32 MET N N 15 124.999 0.400 . 1 . . . . 32 MET N . 15349 1 403 . 1 1 33 33 GLU H H 1 7.785 0.020 . 1 . . . . 33 GLU H . 15349 1 404 . 1 1 33 33 GLU HA H 1 4.402 0.020 . 1 . . . . 33 GLU HA . 15349 1 405 . 1 1 33 33 GLU HB2 H 1 1.836 0.020 . 2 . . . . 33 GLU HB2 . 15349 1 406 . 1 1 33 33 GLU HB3 H 1 1.836 0.020 . 2 . . . . 33 GLU HB3 . 15349 1 407 . 1 1 33 33 GLU HG2 H 1 2.155 0.020 . 2 . . . . 33 GLU HG2 . 15349 1 408 . 1 1 33 33 GLU HG3 H 1 2.155 0.020 . 2 . . . . 33 GLU HG3 . 15349 1 409 . 1 1 33 33 GLU C C 13 173.618 0.400 . 1 . . . . 33 GLU C . 15349 1 410 . 1 1 33 33 GLU CA C 13 55.907 0.400 . 1 . . . . 33 GLU CA . 15349 1 411 . 1 1 33 33 GLU CB C 13 33.900 0.400 . 1 . . . . 33 GLU CB . 15349 1 412 . 1 1 33 33 GLU CG C 13 36.105 0.400 . 1 . . . . 33 GLU CG . 15349 1 413 . 1 1 33 33 GLU N N 15 118.248 0.400 . 1 . . . . 33 GLU N . 15349 1 414 . 1 1 34 34 LYS H H 1 8.609 0.020 . 1 . . . . 34 LYS H . 15349 1 415 . 1 1 34 34 LYS HA H 1 4.256 0.020 . 1 . . . . 34 LYS HA . 15349 1 416 . 1 1 34 34 LYS HB2 H 1 1.356 0.020 . 2 . . . . 34 LYS HB2 . 15349 1 417 . 1 1 34 34 LYS HB3 H 1 1.247 0.020 . 2 . . . . 34 LYS HB3 . 15349 1 418 . 1 1 34 34 LYS HD2 H 1 1.108 0.020 . 2 . . . . 34 LYS HD2 . 15349 1 419 . 1 1 34 34 LYS HD3 H 1 0.949 0.020 . 2 . . . . 34 LYS HD3 . 15349 1 420 . 1 1 34 34 LYS HE2 H 1 2.053 0.020 . 2 . . . . 34 LYS HE2 . 15349 1 421 . 1 1 34 34 LYS HE3 H 1 1.265 0.020 . 2 . . . . 34 LYS HE3 . 15349 1 422 . 1 1 34 34 LYS HG2 H 1 0.311 0.020 . 2 . . . . 34 LYS HG2 . 15349 1 423 . 1 1 34 34 LYS HG3 H 1 -1.110 0.020 . 2 . . . . 34 LYS HG3 . 15349 1 424 . 1 1 34 34 LYS CA C 13 55.250 0.400 . 1 . . . . 34 LYS CA . 15349 1 425 . 1 1 34 34 LYS CB C 13 35.010 0.400 . 1 . . . . 34 LYS CB . 15349 1 426 . 1 1 34 34 LYS CD C 13 30.136 0.400 . 1 . . . . 34 LYS CD . 15349 1 427 . 1 1 34 34 LYS CE C 13 41.095 0.400 . 1 . . . . 34 LYS CE . 15349 1 428 . 1 1 34 34 LYS CG C 13 23.814 0.400 . 1 . . . . 34 LYS CG . 15349 1 429 . 1 1 34 34 LYS N N 15 123.925 0.400 . 1 . . . . 34 LYS N . 15349 1 430 . 1 1 35 35 CYS HA H 1 4.921 0.020 . 1 . . . . 35 CYS HA . 15349 1 431 . 1 1 35 35 CYS HB2 H 1 3.540 0.020 . 2 . . . . 35 CYS HB2 . 15349 1 432 . 1 1 35 35 CYS HB3 H 1 3.540 0.020 . 2 . . . . 35 CYS HB3 . 15349 1 433 . 1 1 35 35 CYS CA C 13 58.463 0.400 . 1 . . . . 35 CYS CA . 15349 1 434 . 1 1 35 35 CYS CB C 13 29.808 0.400 . 1 . . . . 35 CYS CB . 15349 1 435 . 1 1 36 36 SER HA H 1 4.041 0.020 . 1 . . . . 36 SER HA . 15349 1 436 . 1 1 36 36 SER HB2 H 1 3.817 0.020 . 2 . . . . 36 SER HB2 . 15349 1 437 . 1 1 36 36 SER HB3 H 1 3.817 0.020 . 2 . . . . 36 SER HB3 . 15349 1 438 . 1 1 36 36 SER C C 13 174.170 0.400 . 1 . . . . 36 SER C . 15349 1 439 . 1 1 36 36 SER CA C 13 60.376 0.400 . 1 . . . . 36 SER CA . 15349 1 440 . 1 1 36 36 SER CB C 13 63.336 0.400 . 1 . . . . 36 SER CB . 15349 1 441 . 1 1 37 37 ASP H H 1 8.168 0.020 . 1 . . . . 37 ASP H . 15349 1 442 . 1 1 37 37 ASP HA H 1 4.622 0.020 . 1 . . . . 37 ASP HA . 15349 1 443 . 1 1 37 37 ASP HB2 H 1 3.036 0.020 . 2 . . . . 37 ASP HB2 . 15349 1 444 . 1 1 37 37 ASP HB3 H 1 2.666 0.020 . 2 . . . . 37 ASP HB3 . 15349 1 445 . 1 1 37 37 ASP C C 13 176.849 0.400 . 1 . . . . 37 ASP C . 15349 1 446 . 1 1 37 37 ASP CA C 13 54.119 0.400 . 1 . . . . 37 ASP CA . 15349 1 447 . 1 1 37 37 ASP CB C 13 40.309 0.400 . 1 . . . . 37 ASP CB . 15349 1 448 . 1 1 37 37 ASP N N 15 120.448 0.400 . 1 . . . . 37 ASP N . 15349 1 449 . 1 1 38 38 GLY H H 1 8.021 0.020 . 1 . . . . 38 GLY H . 15349 1 450 . 1 1 38 38 GLY HA2 H 1 4.174 0.020 . 2 . . . . 38 GLY HA2 . 15349 1 451 . 1 1 38 38 GLY HA3 H 1 3.599 0.020 . 2 . . . . 38 GLY HA3 . 15349 1 452 . 1 1 38 38 GLY C C 13 174.020 0.400 . 1 . . . . 38 GLY C . 15349 1 453 . 1 1 38 38 GLY CA C 13 45.025 0.400 . 1 . . . . 38 GLY CA . 15349 1 454 . 1 1 38 38 GLY N N 15 105.920 0.400 . 1 . . . . 38 GLY N . 15349 1 455 . 1 1 39 39 TRP H H 1 7.986 0.020 . 1 . . . . 39 TRP H . 15349 1 456 . 1 1 39 39 TRP HA H 1 4.815 0.020 . 1 . . . . 39 TRP HA . 15349 1 457 . 1 1 39 39 TRP HB2 H 1 3.214 0.020 . 2 . . . . 39 TRP HB2 . 15349 1 458 . 1 1 39 39 TRP HB3 H 1 3.161 0.020 . 2 . . . . 39 TRP HB3 . 15349 1 459 . 1 1 39 39 TRP HD1 H 1 6.925 0.020 . 1 . . . . 39 TRP HD1 . 15349 1 460 . 1 1 39 39 TRP HE1 H 1 9.875 0.020 . 1 . . . . 39 TRP HE1 . 15349 1 461 . 1 1 39 39 TRP HE3 H 1 7.338 0.020 . 1 . . . . 39 TRP HE3 . 15349 1 462 . 1 1 39 39 TRP HZ2 H 1 7.421 0.020 . 1 . . . . 39 TRP HZ2 . 15349 1 463 . 1 1 39 39 TRP HZ3 H 1 6.758 0.020 . 1 . . . . 39 TRP HZ3 . 15349 1 464 . 1 1 39 39 TRP C C 13 174.652 0.400 . 1 . . . . 39 TRP C . 15349 1 465 . 1 1 39 39 TRP CA C 13 57.505 0.400 . 1 . . . . 39 TRP CA . 15349 1 466 . 1 1 39 39 TRP CB C 13 29.881 0.400 . 1 . . . . 39 TRP CB . 15349 1 467 . 1 1 39 39 TRP CD1 C 13 126.980 0.400 . 1 . . . . 39 TRP CD1 . 15349 1 468 . 1 1 39 39 TRP CE3 C 13 119.700 0.400 . 1 . . . . 39 TRP CE3 . 15349 1 469 . 1 1 39 39 TRP CZ2 C 13 114.540 0.400 . 1 . . . . 39 TRP CZ2 . 15349 1 470 . 1 1 39 39 TRP CZ3 C 13 120.840 0.400 . 1 . . . . 39 TRP CZ3 . 15349 1 471 . 1 1 39 39 TRP N N 15 122.876 0.400 . 1 . . . . 39 TRP N . 15349 1 472 . 1 1 39 39 TRP NE1 N 15 128.990 0.400 . 1 . . . . 39 TRP NE1 . 15349 1 473 . 1 1 40 40 TRP H H 1 8.990 0.020 . 1 . . . . 40 TRP H . 15349 1 474 . 1 1 40 40 TRP HA H 1 5.524 0.020 . 1 . . . . 40 TRP HA . 15349 1 475 . 1 1 40 40 TRP HB2 H 1 2.275 0.020 . 2 . . . . 40 TRP HB2 . 15349 1 476 . 1 1 40 40 TRP HB3 H 1 2.888 0.020 . 2 . . . . 40 TRP HB3 . 15349 1 477 . 1 1 40 40 TRP HD1 H 1 7.387 0.020 . 1 . . . . 40 TRP HD1 . 15349 1 478 . 1 1 40 40 TRP HE3 H 1 7.383 0.020 . 1 . . . . 40 TRP HE3 . 15349 1 479 . 1 1 40 40 TRP HH2 H 1 7.288 0.020 . 1 . . . . 40 TRP HH2 . 15349 1 480 . 1 1 40 40 TRP HZ2 H 1 7.533 0.020 . 1 . . . . 40 TRP HZ2 . 15349 1 481 . 1 1 40 40 TRP HZ3 H 1 6.835 0.020 . 1 . . . . 40 TRP HZ3 . 15349 1 482 . 1 1 40 40 TRP C C 13 172.808 0.400 . 1 . . . . 40 TRP C . 15349 1 483 . 1 1 40 40 TRP CA C 13 52.958 0.400 . 1 . . . . 40 TRP CA . 15349 1 484 . 1 1 40 40 TRP CB C 13 33.653 0.400 . 1 . . . . 40 TRP CB . 15349 1 485 . 1 1 40 40 TRP CD1 C 13 122.660 0.400 . 1 . . . . 40 TRP CD1 . 15349 1 486 . 1 1 40 40 TRP CE3 C 13 121.330 0.400 . 1 . . . . 40 TRP CE3 . 15349 1 487 . 1 1 40 40 TRP CH2 C 13 125.360 0.400 . 1 . . . . 40 TRP CH2 . 15349 1 488 . 1 1 40 40 TRP CZ2 C 13 114.380 0.400 . 1 . . . . 40 TRP CZ2 . 15349 1 489 . 1 1 40 40 TRP CZ3 C 13 121.420 0.400 . 1 . . . . 40 TRP CZ3 . 15349 1 490 . 1 1 40 40 TRP N N 15 124.070 0.400 . 1 . . . . 40 TRP N . 15349 1 491 . 1 1 41 41 ARG H H 1 8.644 0.020 . 1 . . . . 41 ARG H . 15349 1 492 . 1 1 41 41 ARG HA H 1 4.655 0.020 . 1 . . . . 41 ARG HA . 15349 1 493 . 1 1 41 41 ARG HB2 H 1 1.052 0.020 . 2 . . . . 41 ARG HB2 . 15349 1 494 . 1 1 41 41 ARG HB3 H 1 -0.308 0.020 . 2 . . . . 41 ARG HB3 . 15349 1 495 . 1 1 41 41 ARG HD2 H 1 2.391 0.020 . 2 . . . . 41 ARG HD2 . 15349 1 496 . 1 1 41 41 ARG HD3 H 1 2.391 0.020 . 2 . . . . 41 ARG HD3 . 15349 1 497 . 1 1 41 41 ARG HG2 H 1 0.870 0.020 . 2 . . . . 41 ARG HG2 . 15349 1 498 . 1 1 41 41 ARG HG3 H 1 0.239 0.020 . 2 . . . . 41 ARG HG3 . 15349 1 499 . 1 1 41 41 ARG C C 13 176.684 0.400 . 1 . . . . 41 ARG C . 15349 1 500 . 1 1 41 41 ARG CA C 13 53.740 0.400 . 1 . . . . 41 ARG CA . 15349 1 501 . 1 1 41 41 ARG CB C 13 32.642 0.400 . 1 . . . . 41 ARG CB . 15349 1 502 . 1 1 41 41 ARG CD C 13 43.277 0.400 . 1 . . . . 41 ARG CD . 15349 1 503 . 1 1 41 41 ARG CG C 13 27.441 0.400 . 1 . . . . 41 ARG CG . 15349 1 504 . 1 1 41 41 ARG N N 15 121.145 0.400 . 1 . . . . 41 ARG N . 15349 1 505 . 1 1 42 42 GLY H H 1 9.128 0.020 . 1 . . . . 42 GLY H . 15349 1 506 . 1 1 42 42 GLY HA2 H 1 4.910 0.020 . 2 . . . . 42 GLY HA2 . 15349 1 507 . 1 1 42 42 GLY HA3 H 1 4.165 0.020 . 2 . . . . 42 GLY HA3 . 15349 1 508 . 1 1 42 42 GLY C C 13 169.709 0.400 . 1 . . . . 42 GLY C . 15349 1 509 . 1 1 42 42 GLY CA C 13 46.355 0.400 . 1 . . . . 42 GLY CA . 15349 1 510 . 1 1 42 42 GLY N N 15 114.080 0.400 . 1 . . . . 42 GLY N . 15349 1 511 . 1 1 43 43 SER H H 1 9.112 0.020 . 1 . . . . 43 SER H . 15349 1 512 . 1 1 43 43 SER HA H 1 5.816 0.020 . 1 . . . . 43 SER HA . 15349 1 513 . 1 1 43 43 SER HB2 H 1 3.721 0.020 . 2 . . . . 43 SER HB2 . 15349 1 514 . 1 1 43 43 SER HB3 H 1 3.646 0.020 . 2 . . . . 43 SER HB3 . 15349 1 515 . 1 1 43 43 SER C C 13 174.215 0.400 . 1 . . . . 43 SER C . 15349 1 516 . 1 1 43 43 SER CA C 13 55.349 0.400 . 1 . . . . 43 SER CA . 15349 1 517 . 1 1 43 43 SER CB C 13 66.526 0.400 . 1 . . . . 43 SER CB . 15349 1 518 . 1 1 43 43 SER N N 15 111.505 0.400 . 1 . . . . 43 SER N . 15349 1 519 . 1 1 44 44 TYR H H 1 8.895 0.020 . 1 . . . . 44 TYR H . 15349 1 520 . 1 1 44 44 TYR HA H 1 4.817 0.020 . 1 . . . . 44 TYR HA . 15349 1 521 . 1 1 44 44 TYR HB2 H 1 3.087 0.020 . 2 . . . . 44 TYR HB2 . 15349 1 522 . 1 1 44 44 TYR HB3 H 1 2.792 0.020 . 2 . . . . 44 TYR HB3 . 15349 1 523 . 1 1 44 44 TYR HD1 H 1 7.293 0.020 . 1 . . . . 44 TYR HD1 . 15349 1 524 . 1 1 44 44 TYR HD2 H 1 7.293 0.020 . 1 . . . . 44 TYR HD2 . 15349 1 525 . 1 1 44 44 TYR HE1 H 1 6.884 0.020 . 1 . . . . 44 TYR HE1 . 15349 1 526 . 1 1 44 44 TYR HE2 H 1 6.884 0.020 . 1 . . . . 44 TYR HE2 . 15349 1 527 . 1 1 44 44 TYR C C 13 175.151 0.400 . 1 . . . . 44 TYR C . 15349 1 528 . 1 1 44 44 TYR CA C 13 57.888 0.400 . 1 . . . . 44 TYR CA . 15349 1 529 . 1 1 44 44 TYR CB C 13 41.609 0.400 . 1 . . . . 44 TYR CB . 15349 1 530 . 1 1 44 44 TYR CD1 C 13 133.680 0.400 . 1 . . . . 44 TYR CD1 . 15349 1 531 . 1 1 44 44 TYR CD2 C 13 133.679 0.400 . 1 . . . . 44 TYR CD2 . 15349 1 532 . 1 1 44 44 TYR CE1 C 13 118.490 0.400 . 1 . . . . 44 TYR CE1 . 15349 1 533 . 1 1 44 44 TYR CE2 C 13 118.489 0.400 . 1 . . . . 44 TYR CE2 . 15349 1 534 . 1 1 44 44 TYR N N 15 123.955 0.400 . 1 . . . . 44 TYR N . 15349 1 535 . 1 1 45 45 ASN H H 1 8.928 0.020 . 1 . . . . 45 ASN H . 15349 1 536 . 1 1 45 45 ASN HA H 1 4.104 0.020 . 1 . . . . 45 ASN HA . 15349 1 537 . 1 1 45 45 ASN HB2 H 1 2.868 0.020 . 2 . . . . 45 ASN HB2 . 15349 1 538 . 1 1 45 45 ASN HB3 H 1 1.787 0.020 . 2 . . . . 45 ASN HB3 . 15349 1 539 . 1 1 45 45 ASN HD21 H 1 7.233 0.020 . 2 . . . . 45 ASN HD21 . 15349 1 540 . 1 1 45 45 ASN HD22 H 1 6.531 0.020 . 2 . . . . 45 ASN HD22 . 15349 1 541 . 1 1 45 45 ASN C C 13 174.862 0.400 . 1 . . . . 45 ASN C . 15349 1 542 . 1 1 45 45 ASN CA C 13 53.369 0.400 . 1 . . . . 45 ASN CA . 15349 1 543 . 1 1 45 45 ASN CB C 13 37.215 0.400 . 1 . . . . 45 ASN CB . 15349 1 544 . 1 1 45 45 ASN CG C 13 177.452 0.400 . 1 . . . . 45 ASN CG . 15349 1 545 . 1 1 45 45 ASN N N 15 128.267 0.400 . 1 . . . . 45 ASN N . 15349 1 546 . 1 1 45 45 ASN ND2 N 15 110.380 0.400 . 1 . . . . 45 ASN ND2 . 15349 1 547 . 1 1 46 46 GLY H H 1 8.508 0.020 . 1 . . . . 46 GLY H . 15349 1 548 . 1 1 46 46 GLY HA2 H 1 4.138 0.020 . 2 . . . . 46 GLY HA2 . 15349 1 549 . 1 1 46 46 GLY HA3 H 1 3.515 0.020 . 2 . . . . 46 GLY HA3 . 15349 1 550 . 1 1 46 46 GLY C C 13 173.684 0.400 . 1 . . . . 46 GLY C . 15349 1 551 . 1 1 46 46 GLY CA C 13 45.378 0.400 . 1 . . . . 46 GLY CA . 15349 1 552 . 1 1 46 46 GLY N N 15 103.761 0.400 . 1 . . . . 46 GLY N . 15349 1 553 . 1 1 47 47 GLN H H 1 7.844 0.020 . 1 . . . . 47 GLN H . 15349 1 554 . 1 1 47 47 GLN HA H 1 4.615 0.020 . 1 . . . . 47 GLN HA . 15349 1 555 . 1 1 47 47 GLN HB2 H 1 2.131 0.020 . 2 . . . . 47 GLN HB2 . 15349 1 556 . 1 1 47 47 GLN HB3 H 1 2.064 0.020 . 2 . . . . 47 GLN HB3 . 15349 1 557 . 1 1 47 47 GLN HG2 H 1 2.442 0.020 . 2 . . . . 47 GLN HG2 . 15349 1 558 . 1 1 47 47 GLN HG3 H 1 2.350 0.020 . 2 . . . . 47 GLN HG3 . 15349 1 559 . 1 1 47 47 GLN C C 13 174.353 0.400 . 1 . . . . 47 GLN C . 15349 1 560 . 1 1 47 47 GLN CA C 13 54.495 0.400 . 1 . . . . 47 GLN CA . 15349 1 561 . 1 1 47 47 GLN CG C 13 33.989 0.400 . 1 . . . . 47 GLN CG . 15349 1 562 . 1 1 47 47 GLN N N 15 121.201 0.400 . 1 . . . . 47 GLN N . 15349 1 563 . 1 1 48 48 VAL H H 1 8.406 0.020 . 1 . . . . 48 VAL H . 15349 1 564 . 1 1 48 48 VAL HA H 1 5.298 0.020 . 1 . . . . 48 VAL HA . 15349 1 565 . 1 1 48 48 VAL HB H 1 1.821 0.020 . 1 . . . . 48 VAL HB . 15349 1 566 . 1 1 48 48 VAL HG11 H 1 0.762 0.020 . 2 . . . . 48 VAL HG1 . 15349 1 567 . 1 1 48 48 VAL HG12 H 1 0.762 0.020 . 2 . . . . 48 VAL HG1 . 15349 1 568 . 1 1 48 48 VAL HG13 H 1 0.762 0.020 . 2 . . . . 48 VAL HG1 . 15349 1 569 . 1 1 48 48 VAL HG21 H 1 0.817 0.020 . 2 . . . . 48 VAL HG2 . 15349 1 570 . 1 1 48 48 VAL HG22 H 1 0.817 0.020 . 2 . . . . 48 VAL HG2 . 15349 1 571 . 1 1 48 48 VAL HG23 H 1 0.817 0.020 . 2 . . . . 48 VAL HG2 . 15349 1 572 . 1 1 48 48 VAL C C 13 176.591 0.400 . 1 . . . . 48 VAL C . 15349 1 573 . 1 1 48 48 VAL CA C 13 59.993 0.400 . 1 . . . . 48 VAL CA . 15349 1 574 . 1 1 48 48 VAL CB C 13 34.816 0.400 . 1 . . . . 48 VAL CB . 15349 1 575 . 1 1 48 48 VAL CG1 C 13 20.865 0.400 . 1 . . . . 48 VAL CG1 . 15349 1 576 . 1 1 48 48 VAL CG2 C 13 20.851 0.400 . 1 . . . . 48 VAL CG2 . 15349 1 577 . 1 1 48 48 VAL N N 15 121.830 0.400 . 1 . . . . 48 VAL N . 15349 1 578 . 1 1 49 49 GLY H H 1 8.755 0.020 . 1 . . . . 49 GLY H . 15349 1 579 . 1 1 49 49 GLY HA2 H 1 4.138 0.020 . 2 . . . . 49 GLY HA2 . 15349 1 580 . 1 1 49 49 GLY HA3 H 1 3.939 0.020 . 2 . . . . 49 GLY HA3 . 15349 1 581 . 1 1 49 49 GLY C C 13 171.140 0.400 . 1 . . . . 49 GLY C . 15349 1 582 . 1 1 49 49 GLY CA C 13 45.746 0.400 . 1 . . . . 49 GLY CA . 15349 1 583 . 1 1 49 49 GLY N N 15 111.420 0.400 . 1 . . . . 49 GLY N . 15349 1 584 . 1 1 50 50 TRP H H 1 8.959 0.020 . 1 . . . . 50 TRP H . 15349 1 585 . 1 1 50 50 TRP HA H 1 5.660 0.020 . 1 . . . . 50 TRP HA . 15349 1 586 . 1 1 50 50 TRP HB2 H 1 2.983 0.020 . 2 . . . . 50 TRP HB2 . 15349 1 587 . 1 1 50 50 TRP HB3 H 1 3.421 0.020 . 2 . . . . 50 TRP HB3 . 15349 1 588 . 1 1 50 50 TRP HD1 H 1 7.384 0.020 . 1 . . . . 50 TRP HD1 . 15349 1 589 . 1 1 50 50 TRP HE3 H 1 7.488 0.020 . 1 . . . . 50 TRP HE3 . 15349 1 590 . 1 1 50 50 TRP HH2 H 1 7.152 0.020 . 1 . . . . 50 TRP HH2 . 15349 1 591 . 1 1 50 50 TRP HZ2 H 1 7.443 0.020 . 1 . . . . 50 TRP HZ2 . 15349 1 592 . 1 1 50 50 TRP HZ3 H 1 7.126 0.020 . 1 . . . . 50 TRP HZ3 . 15349 1 593 . 1 1 50 50 TRP C C 13 176.833 0.400 . 1 . . . . 50 TRP C . 15349 1 594 . 1 1 50 50 TRP CA C 13 56.979 0.400 . 1 . . . . 50 TRP CA . 15349 1 595 . 1 1 50 50 TRP CB C 13 32.106 0.400 . 1 . . . . 50 TRP CB . 15349 1 596 . 1 1 50 50 TRP CD1 C 13 128.220 0.400 . 1 . . . . 50 TRP CD1 . 15349 1 597 . 1 1 50 50 TRP CE3 C 13 120.700 0.400 . 1 . . . . 50 TRP CE3 . 15349 1 598 . 1 1 50 50 TRP CH2 C 13 124.860 0.400 . 1 . . . . 50 TRP CH2 . 15349 1 599 . 1 1 50 50 TRP CZ2 C 13 114.840 0.400 . 1 . . . . 50 TRP CZ2 . 15349 1 600 . 1 1 50 50 TRP CZ3 C 13 122.410 0.400 . 1 . . . . 50 TRP CZ3 . 15349 1 601 . 1 1 50 50 TRP N N 15 120.558 0.400 . 1 . . . . 50 TRP N . 15349 1 602 . 1 1 51 51 PHE H H 1 9.620 0.020 . 1 . . . . 51 PHE H . 15349 1 603 . 1 1 51 51 PHE HA H 1 5.203 0.020 . 1 . . . . 51 PHE HA . 15349 1 604 . 1 1 51 51 PHE HB2 H 1 3.334 0.020 . 2 . . . . 51 PHE HB2 . 15349 1 605 . 1 1 51 51 PHE HB3 H 1 2.619 0.020 . 2 . . . . 51 PHE HB3 . 15349 1 606 . 1 1 51 51 PHE HD1 H 1 6.972 0.020 . 1 . . . . 51 PHE HD1 . 15349 1 607 . 1 1 51 51 PHE HD2 H 1 6.972 0.020 . 1 . . . . 51 PHE HD2 . 15349 1 608 . 1 1 51 51 PHE HE1 H 1 6.880 0.020 . 1 . . . . 51 PHE HE1 . 15349 1 609 . 1 1 51 51 PHE HE2 H 1 6.880 0.020 . 1 . . . . 51 PHE HE2 . 15349 1 610 . 1 1 51 51 PHE HZ H 1 7.131 0.020 . 1 . . . . 51 PHE HZ . 15349 1 611 . 1 1 51 51 PHE CA C 13 55.765 0.400 . 1 . . . . 51 PHE CA . 15349 1 612 . 1 1 51 51 PHE CB C 13 38.634 0.400 . 1 . . . . 51 PHE CB . 15349 1 613 . 1 1 51 51 PHE CD1 C 13 134.650 0.400 . 1 . . . . 51 PHE CD1 . 15349 1 614 . 1 1 51 51 PHE CD2 C 13 134.649 0.400 . 1 . . . . 51 PHE CD2 . 15349 1 615 . 1 1 51 51 PHE CE1 C 13 129.541 0.400 . 1 . . . . 51 PHE CE1 . 15349 1 616 . 1 1 51 51 PHE CE2 C 13 129.540 0.400 . 1 . . . . 51 PHE CE2 . 15349 1 617 . 1 1 51 51 PHE CZ C 13 130.950 0.400 . 1 . . . . 51 PHE CZ . 15349 1 618 . 1 1 51 51 PHE N N 15 117.580 0.400 . 1 . . . . 51 PHE N . 15349 1 619 . 1 1 52 52 PRO HA H 1 3.639 0.020 . 1 . . . . 52 PRO HA . 15349 1 620 . 1 1 52 52 PRO HB2 H 1 1.531 0.020 . 2 . . . . 52 PRO HB2 . 15349 1 621 . 1 1 52 52 PRO HB3 H 1 1.239 0.020 . 2 . . . . 52 PRO HB3 . 15349 1 622 . 1 1 52 52 PRO HD2 H 1 2.597 0.020 . 2 . . . . 52 PRO HD2 . 15349 1 623 . 1 1 52 52 PRO HD3 H 1 2.260 0.020 . 2 . . . . 52 PRO HD3 . 15349 1 624 . 1 1 52 52 PRO HG2 H 1 0.899 0.020 . 2 . . . . 52 PRO HG2 . 15349 1 625 . 1 1 52 52 PRO HG3 H 1 0.421 0.020 . 2 . . . . 52 PRO HG3 . 15349 1 626 . 1 1 52 52 PRO C C 13 178.796 0.400 . 1 . . . . 52 PRO C . 15349 1 627 . 1 1 52 52 PRO CA C 13 61.480 0.400 . 1 . . . . 52 PRO CA . 15349 1 628 . 1 1 52 52 PRO CB C 13 30.318 0.400 . 1 . . . . 52 PRO CB . 15349 1 629 . 1 1 52 52 PRO CD C 13 49.898 0.400 . 1 . . . . 52 PRO CD . 15349 1 630 . 1 1 52 52 PRO CG C 13 27.487 0.400 . 1 . . . . 52 PRO CG . 15349 1 631 . 1 1 53 53 SER H H 1 7.997 0.020 . 1 . . . . 53 SER H . 15349 1 632 . 1 1 53 53 SER HA H 1 2.812 0.020 . 1 . . . . 53 SER HA . 15349 1 633 . 1 1 53 53 SER HB2 H 1 1.835 0.020 . 2 . . . . 53 SER HB2 . 15349 1 634 . 1 1 53 53 SER HB3 H 1 1.633 0.020 . 2 . . . . 53 SER HB3 . 15349 1 635 . 1 1 53 53 SER C C 13 174.909 0.400 . 1 . . . . 53 SER C . 15349 1 636 . 1 1 53 53 SER CA C 13 60.777 0.400 . 1 . . . . 53 SER CA . 15349 1 637 . 1 1 53 53 SER CB C 13 60.897 0.400 . 1 . . . . 53 SER CB . 15349 1 638 . 1 1 53 53 SER N N 15 120.294 0.400 . 1 . . . . 53 SER N . 15349 1 639 . 1 1 54 54 ASN H H 1 8.052 0.020 . 1 . . . . 54 ASN H . 15349 1 640 . 1 1 54 54 ASN HA H 1 4.485 0.020 . 1 . . . . 54 ASN HA . 15349 1 641 . 1 1 54 54 ASN HB2 H 1 2.754 0.020 . 2 . . . . 54 ASN HB2 . 15349 1 642 . 1 1 54 54 ASN HB3 H 1 2.578 0.020 . 2 . . . . 54 ASN HB3 . 15349 1 643 . 1 1 54 54 ASN C C 13 175.243 0.400 . 1 . . . . 54 ASN C . 15349 1 644 . 1 1 54 54 ASN CA C 13 54.393 0.400 . 1 . . . . 54 ASN CA . 15349 1 645 . 1 1 54 54 ASN CB C 13 36.609 0.400 . 1 . . . . 54 ASN CB . 15349 1 646 . 1 1 54 54 ASN N N 15 115.637 0.400 . 1 . . . . 54 ASN N . 15349 1 647 . 1 1 55 55 TYR H H 1 7.743 0.020 . 1 . . . . 55 TYR H . 15349 1 648 . 1 1 55 55 TYR HA H 1 4.346 0.020 . 1 . . . . 55 TYR HA . 15349 1 649 . 1 1 55 55 TYR HB2 H 1 3.301 0.020 . 2 . . . . 55 TYR HB2 . 15349 1 650 . 1 1 55 55 TYR HB3 H 1 2.911 0.020 . 2 . . . . 55 TYR HB3 . 15349 1 651 . 1 1 55 55 TYR HD1 H 1 7.120 0.020 . 1 . . . . 55 TYR HD1 . 15349 1 652 . 1 1 55 55 TYR HD2 H 1 7.120 0.020 . 1 . . . . 55 TYR HD2 . 15349 1 653 . 1 1 55 55 TYR C C 13 175.053 0.400 . 1 . . . . 55 TYR C . 15349 1 654 . 1 1 55 55 TYR CA C 13 59.633 0.400 . 1 . . . . 55 TYR CA . 15349 1 655 . 1 1 55 55 TYR CB C 13 38.289 0.400 . 1 . . . . 55 TYR CB . 15349 1 656 . 1 1 55 55 TYR CD1 C 13 133.190 0.400 . 1 . . . . 55 TYR CD1 . 15349 1 657 . 1 1 55 55 TYR CD2 C 13 133.189 0.400 . 1 . . . . 55 TYR CD2 . 15349 1 658 . 1 1 55 55 TYR N N 15 118.479 0.400 . 1 . . . . 55 TYR N . 15349 1 659 . 1 1 56 56 VAL H H 1 7.500 0.020 . 1 . . . . 56 VAL H . 15349 1 660 . 1 1 56 56 VAL HA H 1 5.457 0.020 . 1 . . . . 56 VAL HA . 15349 1 661 . 1 1 56 56 VAL HB H 1 2.006 0.020 . 1 . . . . 56 VAL HB . 15349 1 662 . 1 1 56 56 VAL HG11 H 1 0.550 0.020 . 2 . . . . 56 VAL HG1 . 15349 1 663 . 1 1 56 56 VAL HG12 H 1 0.550 0.020 . 2 . . . . 56 VAL HG1 . 15349 1 664 . 1 1 56 56 VAL HG13 H 1 0.550 0.020 . 2 . . . . 56 VAL HG1 . 15349 1 665 . 1 1 56 56 VAL HG21 H 1 0.869 0.020 . 2 . . . . 56 VAL HG2 . 15349 1 666 . 1 1 56 56 VAL HG22 H 1 0.869 0.020 . 2 . . . . 56 VAL HG2 . 15349 1 667 . 1 1 56 56 VAL HG23 H 1 0.869 0.020 . 2 . . . . 56 VAL HG2 . 15349 1 668 . 1 1 56 56 VAL C C 13 174.229 0.400 . 1 . . . . 56 VAL C . 15349 1 669 . 1 1 56 56 VAL CA C 13 58.329 0.400 . 1 . . . . 56 VAL CA . 15349 1 670 . 1 1 56 56 VAL CB C 13 35.347 0.400 . 1 . . . . 56 VAL CB . 15349 1 671 . 1 1 56 56 VAL CG1 C 13 21.816 0.400 . 1 . . . . 56 VAL CG1 . 15349 1 672 . 1 1 56 56 VAL CG2 C 13 19.518 0.400 . 1 . . . . 56 VAL CG2 . 15349 1 673 . 1 1 56 56 VAL N N 15 109.861 0.400 . 1 . . . . 56 VAL N . 15349 1 674 . 1 1 57 57 THR H H 1 9.098 0.020 . 1 . . . . 57 THR H . 15349 1 675 . 1 1 57 57 THR HA H 1 4.813 0.020 . 1 . . . . 57 THR HA . 15349 1 676 . 1 1 57 57 THR HB H 1 4.052 0.020 . 1 . . . . 57 THR HB . 15349 1 677 . 1 1 57 57 THR HG21 H 1 1.274 0.020 . 1 . . . . 57 THR HG2 . 15349 1 678 . 1 1 57 57 THR HG22 H 1 1.274 0.020 . 1 . . . . 57 THR HG2 . 15349 1 679 . 1 1 57 57 THR HG23 H 1 1.274 0.020 . 1 . . . . 57 THR HG2 . 15349 1 680 . 1 1 57 57 THR C C 13 174.019 0.400 . 1 . . . . 57 THR C . 15349 1 681 . 1 1 57 57 THR CA C 13 60.040 0.400 . 1 . . . . 57 THR CA . 15349 1 682 . 1 1 57 57 THR CB C 13 70.857 0.400 . 1 . . . . 57 THR CB . 15349 1 683 . 1 1 57 57 THR CG2 C 13 20.994 0.400 . 1 . . . . 57 THR CG2 . 15349 1 684 . 1 1 57 57 THR N N 15 113.952 0.400 . 1 . . . . 57 THR N . 15349 1 685 . 1 1 58 58 GLU H H 1 9.091 0.020 . 1 . . . . 58 GLU H . 15349 1 686 . 1 1 58 58 GLU HA H 1 4.540 0.020 . 1 . . . . 58 GLU HA . 15349 1 687 . 1 1 58 58 GLU HB2 H 1 2.299 0.020 . 2 . . . . 58 GLU HB2 . 15349 1 688 . 1 1 58 58 GLU HB3 H 1 2.135 0.020 . 2 . . . . 58 GLU HB3 . 15349 1 689 . 1 1 58 58 GLU HG2 H 1 2.466 0.020 . 2 . . . . 58 GLU HG2 . 15349 1 690 . 1 1 58 58 GLU HG3 H 1 2.358 0.020 . 2 . . . . 58 GLU HG3 . 15349 1 691 . 1 1 58 58 GLU C C 13 176.206 0.400 . 1 . . . . 58 GLU C . 15349 1 692 . 1 1 58 58 GLU CA C 13 57.449 0.400 . 1 . . . . 58 GLU CA . 15349 1 693 . 1 1 58 58 GLU CB C 13 31.021 0.400 . 1 . . . . 58 GLU CB . 15349 1 694 . 1 1 58 58 GLU CG C 13 37.567 0.400 . 1 . . . . 58 GLU CG . 15349 1 695 . 1 1 58 58 GLU N N 15 126.127 0.400 . 1 . . . . 58 GLU N . 15349 1 696 . 1 1 59 59 GLU H H 1 8.423 0.020 . 1 . . . . 59 GLU H . 15349 1 697 . 1 1 59 59 GLU HA H 1 4.392 0.020 . 1 . . . . 59 GLU HA . 15349 1 698 . 1 1 59 59 GLU HB2 H 1 2.071 0.020 . 2 . . . . 59 GLU HB2 . 15349 1 699 . 1 1 59 59 GLU HB3 H 1 1.942 0.020 . 2 . . . . 59 GLU HB3 . 15349 1 700 . 1 1 59 59 GLU HG2 H 1 2.258 0.020 . 2 . . . . 59 GLU HG2 . 15349 1 701 . 1 1 59 59 GLU HG3 H 1 2.258 0.020 . 2 . . . . 59 GLU HG3 . 15349 1 702 . 1 1 59 59 GLU C C 13 176.077 0.400 . 1 . . . . 59 GLU C . 15349 1 703 . 1 1 59 59 GLU CA C 13 56.688 0.400 . 1 . . . . 59 GLU CA . 15349 1 704 . 1 1 59 59 GLU CB C 13 30.377 0.400 . 1 . . . . 59 GLU CB . 15349 1 705 . 1 1 59 59 GLU CG C 13 36.282 0.400 . 1 . . . . 59 GLU CG . 15349 1 706 . 1 1 59 59 GLU N N 15 121.917 0.400 . 1 . . . . 59 GLU N . 15349 1 707 . 1 1 60 60 GLY H H 1 8.197 0.020 . 1 . . . . 60 GLY H . 15349 1 708 . 1 1 60 60 GLY HA2 H 1 3.814 0.020 . 2 . . . . 60 GLY HA2 . 15349 1 709 . 1 1 60 60 GLY HA3 H 1 3.800 0.020 . 2 . . . . 60 GLY HA3 . 15349 1 710 . 1 1 60 60 GLY C C 13 172.665 0.400 . 1 . . . . 60 GLY C . 15349 1 711 . 1 1 60 60 GLY CA C 13 45.042 0.400 . 1 . . . . 60 GLY CA . 15349 1 712 . 1 1 60 60 GLY N N 15 110.428 0.400 . 1 . . . . 60 GLY N . 15349 1 713 . 1 1 61 61 ASP H H 1 7.767 0.020 . 1 . . . . 61 ASP H . 15349 1 714 . 1 1 61 61 ASP HA H 1 4.373 0.020 . 1 . . . . 61 ASP HA . 15349 1 715 . 1 1 61 61 ASP HB2 H 1 2.619 0.020 . 2 . . . . 61 ASP HB2 . 15349 1 716 . 1 1 61 61 ASP HB3 H 1 2.534 0.020 . 2 . . . . 61 ASP HB3 . 15349 1 717 . 1 1 61 61 ASP CA C 13 55.773 0.400 . 1 . . . . 61 ASP CA . 15349 1 718 . 1 1 61 61 ASP CB C 13 42.279 0.400 . 1 . . . . 61 ASP CB . 15349 1 719 . 1 1 61 61 ASP N N 15 125.532 0.400 . 1 . . . . 61 ASP N . 15349 1 stop_ save_