data_19552 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19552 _Entry.Title ; Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-15 _Entry.Accession_date 2013-10-15 _Entry.Last_release_date 2014-11-17 _Entry.Original_release_date 2014-11-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The data from this entry were used to determine structure of Blo t 19. Due to Proline isomerization, Blo t 19 spectrum has degenerate resonances for a stretch of six residues in its C-terminus. These two populations have varying intensities and are unambiguously assigned as major and minor population. Solution structure is calculated for the Major population. ; _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 Mandar Naik . T . 19552 2 Nandita Naik . . . 19552 3 Tai-huang Huang . . . 19552 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 'not applicable' 'not applicable' . 19552 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Allergen . 19552 'Anti-microbial Protein' . 19552 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19552 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 19552 '15N chemical shifts' 82 19552 '1H chemical shifts' 432 19552 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 . . 2014-11-17 2013-10-12 original author . 19552 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19553 'Blo 1 12 CBD domain' 19552 PDB 2mfj 'BMRB Entry Tracking System' 19552 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19552 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Blo 1 19' _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 Mandar Naik . . . 19552 1 2 Nandita Naik . . . 19552 1 3 I-Chun Kuo . . . 19552 1 4 You-Di Liao . . . 19552 1 5 Tai-huang Huang . . . 19552 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19552 _Assembly.ID 1 _Assembly.Name 'Blo t 19, a minor dust mite allergen from Blomia tropicalis' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'Blo t 19, major conformer' 1 $Blo_t_19 A . yes native no no . . . 19552 1 2 'Blo t 19, minor conformer' 1 $Blo_t_19 B . yes native no no . . . 19552 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . 19552 1 2 disulfide single . 1 . 1 CYS 26 26 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 19552 1 3 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 19552 1 4 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 19552 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Blo_t_19 _Entity.Sf_category entity _Entity.Sf_framecode Blo_t_19 _Entity.Entry_ID 19552 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Blo_t_19 _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 ; GSALDFTSCARMNDGALGAK VAQAACISSCKFQNCGTGHC ERRGGRPTCVCSRCGNGGGE WPNLPSRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 and 2 represent a non-native 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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6945.848 _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 2MFJ . "Solution Structure Of Blo T 19, A Minor Dust Mite Allergen From Blomia Tropicalis" . . . . . 100.00 68 100.00 100.00 8.47e-40 . . . . 19552 1 2 no GB AHG97583 . "Blo t 19 allergen, partial [Blomia tropicalis]" . . . . . 97.06 70 100.00 100.00 1.23e-38 . . . . 19552 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 . 19552 1 2 . SER . 19552 1 3 . ALA . 19552 1 4 . LEU . 19552 1 5 . ASP . 19552 1 6 . PHE . 19552 1 7 . THR . 19552 1 8 . SER . 19552 1 9 . CYS . 19552 1 10 . ALA . 19552 1 11 . ARG . 19552 1 12 . MET . 19552 1 13 . ASN . 19552 1 14 . ASP . 19552 1 15 . GLY . 19552 1 16 . ALA . 19552 1 17 . LEU . 19552 1 18 . GLY . 19552 1 19 . ALA . 19552 1 20 . LYS . 19552 1 21 . VAL . 19552 1 22 . ALA . 19552 1 23 . GLN . 19552 1 24 . ALA . 19552 1 25 . ALA . 19552 1 26 . CYS . 19552 1 27 . ILE . 19552 1 28 . SER . 19552 1 29 . SER . 19552 1 30 . CYS . 19552 1 31 . LYS . 19552 1 32 . PHE . 19552 1 33 . GLN . 19552 1 34 . ASN . 19552 1 35 . CYS . 19552 1 36 . GLY . 19552 1 37 . THR . 19552 1 38 . GLY . 19552 1 39 . HIS . 19552 1 40 . CYS . 19552 1 41 . GLU . 19552 1 42 . ARG . 19552 1 43 . ARG . 19552 1 44 . GLY . 19552 1 45 . GLY . 19552 1 46 . ARG . 19552 1 47 . PRO . 19552 1 48 . THR . 19552 1 49 . CYS . 19552 1 50 . VAL . 19552 1 51 . CYS . 19552 1 52 . SER . 19552 1 53 . ARG . 19552 1 54 . CYS . 19552 1 55 . GLY . 19552 1 56 . ASN . 19552 1 57 . GLY . 19552 1 58 . GLY . 19552 1 59 . GLY . 19552 1 60 . GLU . 19552 1 61 . TRP . 19552 1 62 . PRO . 19552 1 63 . ASN . 19552 1 64 . LEU . 19552 1 65 . PRO . 19552 1 66 . SER . 19552 1 67 . ARG . 19552 1 68 . GLY . 19552 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 19552 1 . SER 2 2 19552 1 . ALA 3 3 19552 1 . LEU 4 4 19552 1 . ASP 5 5 19552 1 . PHE 6 6 19552 1 . THR 7 7 19552 1 . SER 8 8 19552 1 . CYS 9 9 19552 1 . ALA 10 10 19552 1 . ARG 11 11 19552 1 . MET 12 12 19552 1 . ASN 13 13 19552 1 . ASP 14 14 19552 1 . GLY 15 15 19552 1 . ALA 16 16 19552 1 . LEU 17 17 19552 1 . GLY 18 18 19552 1 . ALA 19 19 19552 1 . LYS 20 20 19552 1 . VAL 21 21 19552 1 . ALA 22 22 19552 1 . GLN 23 23 19552 1 . ALA 24 24 19552 1 . ALA 25 25 19552 1 . CYS 26 26 19552 1 . ILE 27 27 19552 1 . SER 28 28 19552 1 . SER 29 29 19552 1 . CYS 30 30 19552 1 . LYS 31 31 19552 1 . PHE 32 32 19552 1 . GLN 33 33 19552 1 . ASN 34 34 19552 1 . CYS 35 35 19552 1 . GLY 36 36 19552 1 . THR 37 37 19552 1 . GLY 38 38 19552 1 . HIS 39 39 19552 1 . CYS 40 40 19552 1 . GLU 41 41 19552 1 . ARG 42 42 19552 1 . ARG 43 43 19552 1 . GLY 44 44 19552 1 . GLY 45 45 19552 1 . ARG 46 46 19552 1 . PRO 47 47 19552 1 . THR 48 48 19552 1 . CYS 49 49 19552 1 . VAL 50 50 19552 1 . CYS 51 51 19552 1 . SER 52 52 19552 1 . ARG 53 53 19552 1 . CYS 54 54 19552 1 . GLY 55 55 19552 1 . ASN 56 56 19552 1 . GLY 57 57 19552 1 . GLY 58 58 19552 1 . GLY 59 59 19552 1 . GLU 60 60 19552 1 . TRP 61 61 19552 1 . PRO 62 62 19552 1 . ASN 63 63 19552 1 . LEU 64 64 19552 1 . PRO 65 65 19552 1 . SER 66 66 19552 1 . ARG 67 67 19552 1 . GLY 68 68 19552 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 19552 _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 $Blo_t_19 . 40697 organism . 'Blomia tropicalis' 'Storage mite' . . Eukaryota Metazoa Blomia tropicalis . . . . . . . . . . . . . . . . 'Blo t 19' . 'House dust mite Blomia tropicalis (Taxon identifier 40697)' . . 19552 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 19552 _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 $Blo_t_19 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pGEX4T-1 . . . 'Protein was expressed as GST-fusion and purified by affinity chromatography. It was refolded by glutathione redox couple, subject to proteolysis and finally separated from GST by gel filtration.' . . 19552 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN _Sample.Sf_category sample _Sample.Sf_framecode CN _Sample.Entry_ID 19552 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N Blo t 19' _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 'Blo t 19' '[U-100% 13C; U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 1 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 1 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 1 stop_ save_ save_N _Sample.Sf_category sample _Sample.Sf_framecode N _Sample.Entry_ID 19552 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N Blo t 19' _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 'Blo t 19' '[U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 2 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 2 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 2 stop_ save_ save_Unlabeled _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled _Sample.Entry_ID 19552 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Blo t 19' _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 'Blo t 19' 'natural abundance' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 3 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19552 3 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19552 3 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 19552 _Sample.ID 4 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details '15N Blo t 19 in Pf1 phage alignment medium.' _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 'Blo t 19' '[U-100% 15N]' . . 1 $Blo_t_19 . . 1 . . mM 0.05 . . . 19552 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19552 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19552 4 4 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/ml 0.1 . . . 19552 4 5 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 19552 4 6 D2O 'natural abundance' . . . . . . 10 . . % 0.1 . . . 19552 4 stop_ save_ ####################### # Sample conditions # ####################### save_Default _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Default _Sample_condition_list.Entry_ID 19552 _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 pH 6.0 0.1 pH 19552 1 pressure 1 . atm 19552 1 temperature 295 0.1 K 19552 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19552 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19552 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19552 1 processing 19552 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19552 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19552 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19552 2 'peak picking' 19552 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19552 _Software.ID 3 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19552 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19552 3 'structure solution' 19552 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19552 _Software.ID 4 _Software.Name PSVS _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19552 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 19552 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19552 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19552 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19552 5 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 19552 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19552 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19552 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19552 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 19552 _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 . 500 . . . 19552 1 2 spectrometer_2 Bruker Avance . 600 . . . 19552 1 3 spectrometer_3 Bruker Avance . 800 . . . 19552 1 4 spectrometer_4 Bruker Avance . 850 . . . 19552 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 19552 _Experiment_list.ID 1 _Experiment_list.Details 'NMR data was acquired at 295K using Shigemi NMR tubes.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 5 '3D HNCA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 6 '3D HNCACB' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 8 '3D HNHA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1 11 2D-hbCBcgcdHD no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 12 2D-hbCBcgcdceHE no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19552 1 13 2D-TOCSY no . . . . . . . . . . 3 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19552 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $Unlabeled isotropic . . 1 $Default . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19552 1 16 '3D 1H-13C NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19552 1 17 '3D 1H-15N NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19552 1 18 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 4 $Phage anisotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19552 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 19552 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19552 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_Major_Conformer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Major_Conformer _Assigned_chem_shift_list.Entry_ID 19552 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Default _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 'Tolerance value used in automated NOESY assignments.' _Assigned_chem_shift_list.Details 'Resonance for residues between 59 to 64 were degenerate. The strong intensity population is called Major Conformer.' _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 '2D 1H-15N HSQC' . . . 19552 1 3 '3D HNCO' . . . 19552 1 4 '3D HN(CA)CO' . . . 19552 1 5 '3D HNCA' . . . 19552 1 6 '3D HNCACB' . . . 19552 1 7 '3D CBCA(CO)NH' . . . 19552 1 9 '3D HCCH-COSY' . . . 19552 1 10 '3D HCCH-TOCSY' . . . 19552 1 11 2D-hbCBcgcdHD . . . 19552 1 12 2D-hbCBcgcdceHE . . . 19552 1 14 '3D 1H-15N TOCSY' . . . 19552 1 16 '3D 1H-13C NOESYHSQC' . . . 19552 1 17 '3D 1H-15N NOESYHSQC' . . . 19552 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.944 0.020 . 2 . . . A 1 GLY HA2 . 19552 1 2 . 1 1 1 1 GLY HA3 H 1 3.944 0.020 . 2 . . . A 1 GLY HA3 . 19552 1 3 . 1 1 1 1 GLY C C 13 170.238 0.400 . 1 . . . A 1 GLY C . 19552 1 4 . 1 1 1 1 GLY CA C 13 43.504 0.400 . 1 . . . A 1 GLY CA . 19552 1 5 . 1 1 2 2 SER H H 1 8.666 0.020 . 1 . . . A 2 SER H . 19552 1 6 . 1 1 2 2 SER HA H 1 4.612 0.020 . 1 . . . A 2 SER HA . 19552 1 7 . 1 1 2 2 SER HB2 H 1 3.884 0.020 . 2 . . . A 2 SER HB2 . 19552 1 8 . 1 1 2 2 SER HB3 H 1 3.884 0.020 . 2 . . . A 2 SER HB3 . 19552 1 9 . 1 1 2 2 SER C C 13 173.852 0.400 . 1 . . . A 2 SER C . 19552 1 10 . 1 1 2 2 SER CA C 13 58.197 0.400 . 1 . . . A 2 SER CA . 19552 1 11 . 1 1 2 2 SER CB C 13 64.529 0.400 . 1 . . . A 2 SER CB . 19552 1 12 . 1 1 2 2 SER N N 15 115.948 0.400 . 1 . . . A 2 SER N . 19552 1 13 . 1 1 3 3 ALA H H 1 8.433 0.020 . 1 . . . A 3 ALA H . 19552 1 14 . 1 1 3 3 ALA HA H 1 4.442 0.020 . 1 . . . A 3 ALA HA . 19552 1 15 . 1 1 3 3 ALA HB1 H 1 1.383 0.020 . 1 . . . A 3 ALA HB1 . 19552 1 16 . 1 1 3 3 ALA HB2 H 1 1.383 0.020 . 1 . . . A 3 ALA HB2 . 19552 1 17 . 1 1 3 3 ALA HB3 H 1 1.383 0.020 . 1 . . . A 3 ALA HB3 . 19552 1 18 . 1 1 3 3 ALA C C 13 176.714 0.400 . 1 . . . A 3 ALA C . 19552 1 19 . 1 1 3 3 ALA CA C 13 52.473 0.400 . 1 . . . A 3 ALA CA . 19552 1 20 . 1 1 3 3 ALA CB C 13 19.661 0.400 . 1 . . . A 3 ALA CB . 19552 1 21 . 1 1 3 3 ALA N N 15 126.294 0.400 . 1 . . . A 3 ALA N . 19552 1 22 . 1 1 4 4 LEU H H 1 8.165 0.020 . 1 . . . A 4 LEU H . 19552 1 23 . 1 1 4 4 LEU HA H 1 4.567 0.020 . 1 . . . A 4 LEU HA . 19552 1 24 . 1 1 4 4 LEU HB2 H 1 1.102 0.020 . 2 . . . A 4 LEU HB2 . 19552 1 25 . 1 1 4 4 LEU HB3 H 1 1.450 0.020 . 2 . . . A 4 LEU HB3 . 19552 1 26 . 1 1 4 4 LEU HG H 1 1.569 0.020 . 1 . . . A 4 LEU HG . 19552 1 27 . 1 1 4 4 LEU HD11 H 1 0.889 0.020 . 2 . . . A 4 LEU HD11 . 19552 1 28 . 1 1 4 4 LEU HD12 H 1 0.889 0.020 . 2 . . . A 4 LEU HD12 . 19552 1 29 . 1 1 4 4 LEU HD13 H 1 0.889 0.020 . 2 . . . A 4 LEU HD13 . 19552 1 30 . 1 1 4 4 LEU HD21 H 1 0.856 0.020 . 2 . . . A 4 LEU HD21 . 19552 1 31 . 1 1 4 4 LEU HD22 H 1 0.856 0.020 . 2 . . . A 4 LEU HD22 . 19552 1 32 . 1 1 4 4 LEU HD23 H 1 0.856 0.020 . 2 . . . A 4 LEU HD23 . 19552 1 33 . 1 1 4 4 LEU C C 13 176.271 0.400 . 1 . . . A 4 LEU C . 19552 1 34 . 1 1 4 4 LEU CA C 13 54.564 0.400 . 1 . . . A 4 LEU CA . 19552 1 35 . 1 1 4 4 LEU CB C 13 43.766 0.400 . 1 . . . A 4 LEU CB . 19552 1 36 . 1 1 4 4 LEU CG C 13 26.928 0.400 . 1 . . . A 4 LEU CG . 19552 1 37 . 1 1 4 4 LEU CD1 C 13 25.351 0.400 . 1 . . . A 4 LEU CD1 . 19552 1 38 . 1 1 4 4 LEU CD2 C 13 24.239 0.400 . 1 . . . A 4 LEU CD2 . 19552 1 39 . 1 1 4 4 LEU N N 15 121.327 0.400 . 1 . . . A 4 LEU N . 19552 1 40 . 1 1 5 5 ASP H H 1 8.097 0.020 . 1 . . . A 5 ASP H . 19552 1 41 . 1 1 5 5 ASP HA H 1 4.621 0.020 . 1 . . . A 5 ASP HA . 19552 1 42 . 1 1 5 5 ASP HB2 H 1 2.790 0.020 . 2 . . . A 5 ASP HB2 . 19552 1 43 . 1 1 5 5 ASP HB3 H 1 2.710 0.020 . 2 . . . A 5 ASP HB3 . 19552 1 44 . 1 1 5 5 ASP C C 13 176.301 0.400 . 1 . . . A 5 ASP C . 19552 1 45 . 1 1 5 5 ASP CA C 13 53.098 0.400 . 1 . . . A 5 ASP CA . 19552 1 46 . 1 1 5 5 ASP CB C 13 42.169 0.400 . 1 . . . A 5 ASP CB . 19552 1 47 . 1 1 5 5 ASP N N 15 119.103 0.400 . 1 . . . A 5 ASP N . 19552 1 48 . 1 1 6 6 PHE H H 1 8.841 0.020 . 1 . . . A 6 PHE H . 19552 1 49 . 1 1 6 6 PHE HA H 1 5.139 0.020 . 1 . . . A 6 PHE HA . 19552 1 50 . 1 1 6 6 PHE HB2 H 1 2.873 0.020 . 2 . . . A 6 PHE HB2 . 19552 1 51 . 1 1 6 6 PHE HB3 H 1 3.598 0.020 . 2 . . . A 6 PHE HB3 . 19552 1 52 . 1 1 6 6 PHE HD1 H 1 7.240 0.020 . 1 . . . A 6 PHE HD1 . 19552 1 53 . 1 1 6 6 PHE HD2 H 1 7.240 0.020 . 1 . . . A 6 PHE HD2 . 19552 1 54 . 1 1 6 6 PHE HE1 H 1 7.353 0.020 . 1 . . . A 6 PHE HE1 . 19552 1 55 . 1 1 6 6 PHE HE2 H 1 7.353 0.020 . 1 . . . A 6 PHE HE2 . 19552 1 56 . 1 1 6 6 PHE HZ H 1 7.257 0.020 . 1 . . . A 6 PHE HZ . 19552 1 57 . 1 1 6 6 PHE C C 13 176.266 0.400 . 1 . . . A 6 PHE C . 19552 1 58 . 1 1 6 6 PHE CA C 13 57.768 0.400 . 1 . . . A 6 PHE CA . 19552 1 59 . 1 1 6 6 PHE CB C 13 39.425 0.400 . 1 . . . A 6 PHE CB . 19552 1 60 . 1 1 6 6 PHE CD1 C 13 131.624 0.400 . 1 . . . A 6 PHE CD1 . 19552 1 61 . 1 1 6 6 PHE CD2 C 13 131.624 0.400 . 1 . . . A 6 PHE CD2 . 19552 1 62 . 1 1 6 6 PHE CE1 C 13 129.603 0.400 . 1 . . . A 6 PHE CE1 . 19552 1 63 . 1 1 6 6 PHE CE2 C 13 129.603 0.400 . 1 . . . A 6 PHE CE2 . 19552 1 64 . 1 1 6 6 PHE CZ C 13 129.535 0.400 . 1 . . . A 6 PHE CZ . 19552 1 65 . 1 1 6 6 PHE N N 15 123.716 0.400 . 1 . . . A 6 PHE N . 19552 1 66 . 1 1 7 7 THR H H 1 8.809 0.020 . 1 . . . A 7 THR H . 19552 1 67 . 1 1 7 7 THR HA H 1 4.590 0.020 . 1 . . . A 7 THR HA . 19552 1 68 . 1 1 7 7 THR HB H 1 4.241 0.020 . 1 . . . A 7 THR HB . 19552 1 69 . 1 1 7 7 THR HG21 H 1 1.254 0.020 . 1 . . . A 7 THR HG21 . 19552 1 70 . 1 1 7 7 THR HG22 H 1 1.254 0.020 . 1 . . . A 7 THR HG22 . 19552 1 71 . 1 1 7 7 THR HG23 H 1 1.254 0.020 . 1 . . . A 7 THR HG23 . 19552 1 72 . 1 1 7 7 THR C C 13 177.294 0.400 . 1 . . . A 7 THR C . 19552 1 73 . 1 1 7 7 THR CA C 13 63.423 0.400 . 1 . . . A 7 THR CA . 19552 1 74 . 1 1 7 7 THR CB C 13 70.175 0.400 . 1 . . . A 7 THR CB . 19552 1 75 . 1 1 7 7 THR CG2 C 13 21.761 0.400 . 1 . . . A 7 THR CG2 . 19552 1 76 . 1 1 7 7 THR N N 15 114.338 0.400 . 1 . . . A 7 THR N . 19552 1 77 . 1 1 8 8 SER H H 1 9.657 0.020 . 1 . . . A 8 SER H . 19552 1 78 . 1 1 8 8 SER HA H 1 4.158 0.020 . 1 . . . A 8 SER HA . 19552 1 79 . 1 1 8 8 SER HB2 H 1 3.676 0.020 . 2 . . . A 8 SER HB2 . 19552 1 80 . 1 1 8 8 SER HB3 H 1 3.676 0.020 . 2 . . . A 8 SER HB3 . 19552 1 81 . 1 1 8 8 SER C C 13 175.146 0.400 . 1 . . . A 8 SER C . 19552 1 82 . 1 1 8 8 SER CA C 13 62.906 0.400 . 1 . . . A 8 SER CA . 19552 1 83 . 1 1 8 8 SER CB C 13 62.807 0.400 . 1 . . . A 8 SER CB . 19552 1 84 . 1 1 8 8 SER N N 15 122.221 0.400 . 1 . . . A 8 SER N . 19552 1 85 . 1 1 9 9 CYS H H 1 8.694 0.020 . 1 . . . A 9 CYS H . 19552 1 86 . 1 1 9 9 CYS HA H 1 4.748 0.020 . 1 . . . A 9 CYS HA . 19552 1 87 . 1 1 9 9 CYS HB2 H 1 2.641 0.020 . 2 . . . A 9 CYS HB2 . 19552 1 88 . 1 1 9 9 CYS HB3 H 1 3.496 0.020 . 2 . . . A 9 CYS HB3 . 19552 1 89 . 1 1 9 9 CYS C C 13 174.389 0.400 . 1 . . . A 9 CYS C . 19552 1 90 . 1 1 9 9 CYS CA C 13 57.155 0.400 . 1 . . . A 9 CYS CA . 19552 1 91 . 1 1 9 9 CYS CB C 13 41.841 0.400 . 1 . . . A 9 CYS CB . 19552 1 92 . 1 1 9 9 CYS N N 15 113.381 0.400 . 1 . . . A 9 CYS N . 19552 1 93 . 1 1 10 10 ALA H H 1 7.344 0.020 . 1 . . . A 10 ALA H . 19552 1 94 . 1 1 10 10 ALA HA H 1 3.934 0.020 . 1 . . . A 10 ALA HA . 19552 1 95 . 1 1 10 10 ALA HB1 H 1 1.615 0.020 . 1 . . . A 10 ALA HB1 . 19552 1 96 . 1 1 10 10 ALA HB2 H 1 1.615 0.020 . 1 . . . A 10 ALA HB2 . 19552 1 97 . 1 1 10 10 ALA HB3 H 1 1.615 0.020 . 1 . . . A 10 ALA HB3 . 19552 1 98 . 1 1 10 10 ALA C C 13 179.432 0.400 . 1 . . . A 10 ALA C . 19552 1 99 . 1 1 10 10 ALA CA C 13 56.491 0.400 . 1 . . . A 10 ALA CA . 19552 1 100 . 1 1 10 10 ALA CB C 13 19.361 0.400 . 1 . . . A 10 ALA CB . 19552 1 101 . 1 1 10 10 ALA N N 15 123.467 0.400 . 1 . . . A 10 ALA N . 19552 1 102 . 1 1 11 11 ARG H H 1 9.161 0.020 . 1 . . . A 11 ARG H . 19552 1 103 . 1 1 11 11 ARG HA H 1 4.425 0.020 . 1 . . . A 11 ARG HA . 19552 1 104 . 1 1 11 11 ARG HB2 H 1 2.322 0.020 . 2 . . . A 11 ARG HB2 . 19552 1 105 . 1 1 11 11 ARG HB3 H 1 2.322 0.020 . 2 . . . A 11 ARG HB3 . 19552 1 106 . 1 1 11 11 ARG HG2 H 1 1.711 0.020 . 2 . . . A 11 ARG HG2 . 19552 1 107 . 1 1 11 11 ARG HG3 H 1 1.711 0.020 . 2 . . . A 11 ARG HG3 . 19552 1 108 . 1 1 11 11 ARG HD2 H 1 3.154 0.020 . 2 . . . A 11 ARG HD2 . 19552 1 109 . 1 1 11 11 ARG HD3 H 1 3.154 0.020 . 2 . . . A 11 ARG HD3 . 19552 1 110 . 1 1 11 11 ARG HE H 1 7.809 0.020 . 1 . . . A 11 ARG HE . 19552 1 111 . 1 1 11 11 ARG C C 13 177.471 0.400 . 1 . . . A 11 ARG C . 19552 1 112 . 1 1 11 11 ARG CA C 13 56.619 0.400 . 1 . . . A 11 ARG CA . 19552 1 113 . 1 1 11 11 ARG CB C 13 29.728 0.400 . 1 . . . A 11 ARG CB . 19552 1 114 . 1 1 11 11 ARG CG C 13 27.212 0.400 . 1 . . . A 11 ARG CG . 19552 1 115 . 1 1 11 11 ARG CD C 13 43.695 0.400 . 1 . . . A 11 ARG CD . 19552 1 116 . 1 1 11 11 ARG N N 15 114.563 0.400 . 1 . . . A 11 ARG N . 19552 1 117 . 1 1 11 11 ARG NE N 15 84.344 0.400 . 1 . . . A 11 ARG NE . 19552 1 118 . 1 1 12 12 MET H H 1 7.976 0.020 . 1 . . . A 12 MET H . 19552 1 119 . 1 1 12 12 MET HA H 1 3.819 0.020 . 1 . . . A 12 MET HA . 19552 1 120 . 1 1 12 12 MET HB2 H 1 2.359 0.020 . 2 . . . A 12 MET HB2 . 19552 1 121 . 1 1 12 12 MET HB3 H 1 1.984 0.020 . 2 . . . A 12 MET HB3 . 19552 1 122 . 1 1 12 12 MET HG2 H 1 2.358 0.020 . 2 . . . A 12 MET HG2 . 19552 1 123 . 1 1 12 12 MET HG3 H 1 2.650 0.020 . 2 . . . A 12 MET HG3 . 19552 1 124 . 1 1 12 12 MET HE1 H 1 1.925 0.020 . 1 . . . A 12 MET HE1 . 19552 1 125 . 1 1 12 12 MET HE2 H 1 1.925 0.020 . 1 . . . A 12 MET HE2 . 19552 1 126 . 1 1 12 12 MET HE3 H 1 1.925 0.020 . 1 . . . A 12 MET HE3 . 19552 1 127 . 1 1 12 12 MET C C 13 175.125 0.400 . 1 . . . A 12 MET C . 19552 1 128 . 1 1 12 12 MET CA C 13 59.617 0.400 . 1 . . . A 12 MET CA . 19552 1 129 . 1 1 12 12 MET CB C 13 32.017 0.400 . 1 . . . A 12 MET CB . 19552 1 130 . 1 1 12 12 MET CG C 13 30.024 0.400 . 1 . . . A 12 MET CG . 19552 1 131 . 1 1 12 12 MET CE C 13 16.920 0.400 . 1 . . . A 12 MET CE . 19552 1 132 . 1 1 12 12 MET N N 15 115.606 0.400 . 1 . . . A 12 MET N . 19552 1 133 . 1 1 13 13 ASN H H 1 8.714 0.020 . 1 . . . A 13 ASN H . 19552 1 134 . 1 1 13 13 ASN HA H 1 5.102 0.020 . 1 . . . A 13 ASN HA . 19552 1 135 . 1 1 13 13 ASN HB2 H 1 3.188 0.020 . 2 . . . A 13 ASN HB2 . 19552 1 136 . 1 1 13 13 ASN HB3 H 1 2.595 0.020 . 2 . . . A 13 ASN HB3 . 19552 1 137 . 1 1 13 13 ASN HD21 H 1 6.826 0.020 . 2 . . . A 13 ASN HD21 . 19552 1 138 . 1 1 13 13 ASN HD22 H 1 7.825 0.020 . 2 . . . A 13 ASN HD22 . 19552 1 139 . 1 1 13 13 ASN C C 13 175.540 0.400 . 1 . . . A 13 ASN C . 19552 1 140 . 1 1 13 13 ASN CA C 13 53.516 0.400 . 1 . . . A 13 ASN CA . 19552 1 141 . 1 1 13 13 ASN CB C 13 39.326 0.400 . 1 . . . A 13 ASN CB . 19552 1 142 . 1 1 13 13 ASN N N 15 117.664 0.400 . 1 . . . A 13 ASN N . 19552 1 143 . 1 1 13 13 ASN ND2 N 15 111.737 0.400 . 1 . . . A 13 ASN ND2 . 19552 1 144 . 1 1 14 14 ASP H H 1 8.057 0.020 . 1 . . . A 14 ASP H . 19552 1 145 . 1 1 14 14 ASP HA H 1 4.894 0.020 . 1 . . . A 14 ASP HA . 19552 1 146 . 1 1 14 14 ASP HB2 H 1 2.979 0.020 . 2 . . . A 14 ASP HB2 . 19552 1 147 . 1 1 14 14 ASP HB3 H 1 2.743 0.020 . 2 . . . A 14 ASP HB3 . 19552 1 148 . 1 1 14 14 ASP C C 13 176.553 0.400 . 1 . . . A 14 ASP C . 19552 1 149 . 1 1 14 14 ASP CA C 13 53.211 0.400 . 1 . . . A 14 ASP CA . 19552 1 150 . 1 1 14 14 ASP CB C 13 39.655 0.400 . 1 . . . A 14 ASP CB . 19552 1 151 . 1 1 14 14 ASP N N 15 123.427 0.400 . 1 . . . A 14 ASP N . 19552 1 152 . 1 1 15 15 GLY H H 1 7.833 0.020 . 1 . . . A 15 GLY H . 19552 1 153 . 1 1 15 15 GLY HA2 H 1 3.952 0.020 . 2 . . . A 15 GLY HA2 . 19552 1 154 . 1 1 15 15 GLY HA3 H 1 4.389 0.020 . 2 . . . A 15 GLY HA3 . 19552 1 155 . 1 1 15 15 GLY C C 13 173.718 0.400 . 1 . . . A 15 GLY C . 19552 1 156 . 1 1 15 15 GLY CA C 13 44.536 0.400 . 1 . . . A 15 GLY CA . 19552 1 157 . 1 1 15 15 GLY N N 15 108.142 0.400 . 1 . . . A 15 GLY N . 19552 1 158 . 1 1 16 16 ALA H H 1 8.706 0.020 . 1 . . . A 16 ALA H . 19552 1 159 . 1 1 16 16 ALA HA H 1 4.201 0.020 . 1 . . . A 16 ALA HA . 19552 1 160 . 1 1 16 16 ALA HB1 H 1 1.516 0.020 . 1 . . . A 16 ALA HB1 . 19552 1 161 . 1 1 16 16 ALA HB2 H 1 1.516 0.020 . 1 . . . A 16 ALA HB2 . 19552 1 162 . 1 1 16 16 ALA HB3 H 1 1.516 0.020 . 1 . . . A 16 ALA HB3 . 19552 1 163 . 1 1 16 16 ALA C C 13 181.227 0.400 . 1 . . . A 16 ALA C . 19552 1 164 . 1 1 16 16 ALA CA C 13 55.357 0.400 . 1 . . . A 16 ALA CA . 19552 1 165 . 1 1 16 16 ALA CB C 13 18.438 0.400 . 1 . . . A 16 ALA CB . 19552 1 166 . 1 1 16 16 ALA N N 15 124.207 0.400 . 1 . . . A 16 ALA N . 19552 1 167 . 1 1 17 17 LEU H H 1 8.696 0.020 . 1 . . . A 17 LEU H . 19552 1 168 . 1 1 17 17 LEU HA H 1 4.273 0.020 . 1 . . . A 17 LEU HA . 19552 1 169 . 1 1 17 17 LEU HB2 H 1 1.772 0.020 . 2 . . . A 17 LEU HB2 . 19552 1 170 . 1 1 17 17 LEU HB3 H 1 1.772 0.020 . 2 . . . A 17 LEU HB3 . 19552 1 171 . 1 1 17 17 LEU HG H 1 1.699 0.020 . 1 . . . A 17 LEU HG . 19552 1 172 . 1 1 17 17 LEU HD11 H 1 1.017 0.020 . 2 . . . A 17 LEU HD11 . 19552 1 173 . 1 1 17 17 LEU HD12 H 1 1.017 0.020 . 2 . . . A 17 LEU HD12 . 19552 1 174 . 1 1 17 17 LEU HD13 H 1 1.017 0.020 . 2 . . . A 17 LEU HD13 . 19552 1 175 . 1 1 17 17 LEU HD21 H 1 0.985 0.020 . 2 . . . A 17 LEU HD21 . 19552 1 176 . 1 1 17 17 LEU HD22 H 1 0.985 0.020 . 2 . . . A 17 LEU HD22 . 19552 1 177 . 1 1 17 17 LEU HD23 H 1 0.985 0.020 . 2 . . . A 17 LEU HD23 . 19552 1 178 . 1 1 17 17 LEU C C 13 179.193 0.400 . 1 . . . A 17 LEU C . 19552 1 179 . 1 1 17 17 LEU CA C 13 57.614 0.400 . 1 . . . A 17 LEU CA . 19552 1 180 . 1 1 17 17 LEU CB C 13 41.410 0.400 . 1 . . . A 17 LEU CB . 19552 1 181 . 1 1 17 17 LEU CG C 13 27.252 0.400 . 1 . . . A 17 LEU CG . 19552 1 182 . 1 1 17 17 LEU CD1 C 13 24.099 0.400 . 1 . . . A 17 LEU CD1 . 19552 1 183 . 1 1 17 17 LEU CD2 C 13 24.492 0.400 . 1 . . . A 17 LEU CD2 . 19552 1 184 . 1 1 17 17 LEU N N 15 118.708 0.400 . 1 . . . A 17 LEU N . 19552 1 185 . 1 1 18 18 GLY H H 1 7.612 0.020 . 1 . . . A 18 GLY H . 19552 1 186 . 1 1 18 18 GLY HA2 H 1 3.630 0.020 . 2 . . . A 18 GLY HA2 . 19552 1 187 . 1 1 18 18 GLY HA3 H 1 3.998 0.020 . 2 . . . A 18 GLY HA3 . 19552 1 188 . 1 1 18 18 GLY C C 13 175.408 0.400 . 1 . . . A 18 GLY C . 19552 1 189 . 1 1 18 18 GLY CA C 13 47.877 0.400 . 1 . . . A 18 GLY CA . 19552 1 190 . 1 1 18 18 GLY N N 15 107.929 0.400 . 1 . . . A 18 GLY N . 19552 1 191 . 1 1 19 19 ALA H H 1 7.974 0.020 . 1 . . . A 19 ALA H . 19552 1 192 . 1 1 19 19 ALA HA H 1 4.026 0.020 . 1 . . . A 19 ALA HA . 19552 1 193 . 1 1 19 19 ALA HB1 H 1 1.579 0.020 . 1 . . . A 19 ALA HB1 . 19552 1 194 . 1 1 19 19 ALA HB2 H 1 1.579 0.020 . 1 . . . A 19 ALA HB2 . 19552 1 195 . 1 1 19 19 ALA HB3 H 1 1.579 0.020 . 1 . . . A 19 ALA HB3 . 19552 1 196 . 1 1 19 19 ALA C C 13 180.791 0.400 . 1 . . . A 19 ALA C . 19552 1 197 . 1 1 19 19 ALA CA C 13 56.169 0.400 . 1 . . . A 19 ALA CA . 19552 1 198 . 1 1 19 19 ALA CB C 13 18.220 0.400 . 1 . . . A 19 ALA CB . 19552 1 199 . 1 1 19 19 ALA N N 15 121.305 0.400 . 1 . . . A 19 ALA N . 19552 1 200 . 1 1 20 20 LYS H H 1 7.584 0.020 . 1 . . . A 20 LYS H . 19552 1 201 . 1 1 20 20 LYS HA H 1 4.199 0.020 . 1 . . . A 20 LYS HA . 19552 1 202 . 1 1 20 20 LYS HB2 H 1 2.097 0.020 . 2 . . . A 20 LYS HB2 . 19552 1 203 . 1 1 20 20 LYS HB3 H 1 2.097 0.020 . 2 . . . A 20 LYS HB3 . 19552 1 204 . 1 1 20 20 LYS HG2 H 1 1.712 0.020 . 2 . . . A 20 LYS HG2 . 19552 1 205 . 1 1 20 20 LYS HG3 H 1 1.556 0.020 . 2 . . . A 20 LYS HG3 . 19552 1 206 . 1 1 20 20 LYS HD2 H 1 1.775 0.020 . 2 . . . A 20 LYS HD2 . 19552 1 207 . 1 1 20 20 LYS HD3 H 1 1.775 0.020 . 2 . . . A 20 LYS HD3 . 19552 1 208 . 1 1 20 20 LYS HE2 H 1 3.054 0.020 . 2 . . . A 20 LYS HE2 . 19552 1 209 . 1 1 20 20 LYS HE3 H 1 3.054 0.020 . 2 . . . A 20 LYS HE3 . 19552 1 210 . 1 1 20 20 LYS C C 13 179.882 0.400 . 1 . . . A 20 LYS C . 19552 1 211 . 1 1 20 20 LYS CA C 13 59.545 0.400 . 1 . . . A 20 LYS CA . 19552 1 212 . 1 1 20 20 LYS CB C 13 32.808 0.400 . 1 . . . A 20 LYS CB . 19552 1 213 . 1 1 20 20 LYS CG C 13 25.169 0.400 . 1 . . . A 20 LYS CG . 19552 1 214 . 1 1 20 20 LYS CD C 13 29.652 0.400 . 1 . . . A 20 LYS CD . 19552 1 215 . 1 1 20 20 LYS CE C 13 42.122 0.400 . 1 . . . A 20 LYS CE . 19552 1 216 . 1 1 20 20 LYS N N 15 119.157 0.400 . 1 . . . A 20 LYS N . 19552 1 217 . 1 1 21 21 VAL H H 1 8.472 0.020 . 1 . . . A 21 VAL H . 19552 1 218 . 1 1 21 21 VAL HA H 1 3.800 0.020 . 1 . . . A 21 VAL HA . 19552 1 219 . 1 1 21 21 VAL HB H 1 2.209 0.020 . 1 . . . A 21 VAL HB . 19552 1 220 . 1 1 21 21 VAL HG11 H 1 1.063 0.020 . 2 . . . A 21 VAL HG11 . 19552 1 221 . 1 1 21 21 VAL HG12 H 1 1.063 0.020 . 2 . . . A 21 VAL HG12 . 19552 1 222 . 1 1 21 21 VAL HG13 H 1 1.063 0.020 . 2 . . . A 21 VAL HG13 . 19552 1 223 . 1 1 21 21 VAL HG21 H 1 1.145 0.020 . 2 . . . A 21 VAL HG21 . 19552 1 224 . 1 1 21 21 VAL HG22 H 1 1.145 0.020 . 2 . . . A 21 VAL HG22 . 19552 1 225 . 1 1 21 21 VAL HG23 H 1 1.145 0.020 . 2 . . . A 21 VAL HG23 . 19552 1 226 . 1 1 21 21 VAL C C 13 178.980 0.400 . 1 . . . A 21 VAL C . 19552 1 227 . 1 1 21 21 VAL CA C 13 66.162 0.400 . 1 . . . A 21 VAL CA . 19552 1 228 . 1 1 21 21 VAL CB C 13 32.062 0.400 . 1 . . . A 21 VAL CB . 19552 1 229 . 1 1 21 21 VAL CG1 C 13 20.939 0.400 . 1 . . . A 21 VAL CG1 . 19552 1 230 . 1 1 21 21 VAL CG2 C 13 22.333 0.400 . 1 . . . A 21 VAL CG2 . 19552 1 231 . 1 1 21 21 VAL N N 15 122.484 0.400 . 1 . . . A 21 VAL N . 19552 1 232 . 1 1 22 22 ALA H H 1 8.750 0.020 . 1 . . . A 22 ALA H . 19552 1 233 . 1 1 22 22 ALA HA H 1 4.452 0.020 . 1 . . . A 22 ALA HA . 19552 1 234 . 1 1 22 22 ALA HB1 H 1 1.582 0.020 . 1 . . . A 22 ALA HB1 . 19552 1 235 . 1 1 22 22 ALA HB2 H 1 1.582 0.020 . 1 . . . A 22 ALA HB2 . 19552 1 236 . 1 1 22 22 ALA HB3 H 1 1.582 0.020 . 1 . . . A 22 ALA HB3 . 19552 1 237 . 1 1 22 22 ALA C C 13 178.351 0.400 . 1 . . . A 22 ALA C . 19552 1 238 . 1 1 22 22 ALA CA C 13 54.379 0.400 . 1 . . . A 22 ALA CA . 19552 1 239 . 1 1 22 22 ALA CB C 13 19.355 0.400 . 1 . . . A 22 ALA CB . 19552 1 240 . 1 1 22 22 ALA N N 15 124.043 0.400 . 1 . . . A 22 ALA N . 19552 1 241 . 1 1 23 23 GLN H H 1 7.950 0.020 . 1 . . . A 23 GLN H . 19552 1 242 . 1 1 23 23 GLN HA H 1 4.036 0.020 . 1 . . . A 23 GLN HA . 19552 1 243 . 1 1 23 23 GLN HB2 H 1 2.290 0.020 . 2 . . . A 23 GLN HB2 . 19552 1 244 . 1 1 23 23 GLN HB3 H 1 2.239 0.020 . 2 . . . A 23 GLN HB3 . 19552 1 245 . 1 1 23 23 GLN HG2 H 1 2.520 0.020 . 2 . . . A 23 GLN HG2 . 19552 1 246 . 1 1 23 23 GLN HG3 H 1 2.520 0.020 . 2 . . . A 23 GLN HG3 . 19552 1 247 . 1 1 23 23 GLN HE21 H 1 7.108 0.020 . 2 . . . A 23 GLN HE21 . 19552 1 248 . 1 1 23 23 GLN HE22 H 1 6.833 0.020 . 2 . . . A 23 GLN HE22 . 19552 1 249 . 1 1 23 23 GLN C C 13 178.377 0.400 . 1 . . . A 23 GLN C . 19552 1 250 . 1 1 23 23 GLN CA C 13 59.385 0.400 . 1 . . . A 23 GLN CA . 19552 1 251 . 1 1 23 23 GLN CB C 13 28.577 0.400 . 1 . . . A 23 GLN CB . 19552 1 252 . 1 1 23 23 GLN CG C 13 33.688 0.400 . 1 . . . A 23 GLN CG . 19552 1 253 . 1 1 23 23 GLN N N 15 117.277 0.400 . 1 . . . A 23 GLN N . 19552 1 254 . 1 1 23 23 GLN NE2 N 15 112.158 0.400 . 1 . . . A 23 GLN NE2 . 19552 1 255 . 1 1 24 24 ALA H H 1 7.833 0.020 . 1 . . . A 24 ALA H . 19552 1 256 . 1 1 24 24 ALA HA H 1 4.163 0.020 . 1 . . . A 24 ALA HA . 19552 1 257 . 1 1 24 24 ALA HB1 H 1 1.567 0.020 . 1 . . . A 24 ALA HB1 . 19552 1 258 . 1 1 24 24 ALA HB2 H 1 1.567 0.020 . 1 . . . A 24 ALA HB2 . 19552 1 259 . 1 1 24 24 ALA HB3 H 1 1.567 0.020 . 1 . . . A 24 ALA HB3 . 19552 1 260 . 1 1 24 24 ALA C C 13 180.653 0.400 . 1 . . . A 24 ALA C . 19552 1 261 . 1 1 24 24 ALA CA C 13 55.228 0.400 . 1 . . . A 24 ALA CA . 19552 1 262 . 1 1 24 24 ALA CB C 13 18.011 0.400 . 1 . . . A 24 ALA CB . 19552 1 263 . 1 1 24 24 ALA N N 15 119.981 0.400 . 1 . . . A 24 ALA N . 19552 1 264 . 1 1 25 25 ALA H H 1 8.459 0.020 . 1 . . . A 25 ALA H . 19552 1 265 . 1 1 25 25 ALA HA H 1 4.227 0.020 . 1 . . . A 25 ALA HA . 19552 1 266 . 1 1 25 25 ALA HB1 H 1 1.711 0.020 . 1 . . . A 25 ALA HB1 . 19552 1 267 . 1 1 25 25 ALA HB2 H 1 1.711 0.020 . 1 . . . A 25 ALA HB2 . 19552 1 268 . 1 1 25 25 ALA HB3 H 1 1.711 0.020 . 1 . . . A 25 ALA HB3 . 19552 1 269 . 1 1 25 25 ALA C C 13 180.617 0.400 . 1 . . . A 25 ALA C . 19552 1 270 . 1 1 25 25 ALA CA C 13 55.126 0.400 . 1 . . . A 25 ALA CA . 19552 1 271 . 1 1 25 25 ALA CB C 13 18.105 0.400 . 1 . . . A 25 ALA CB . 19552 1 272 . 1 1 25 25 ALA N N 15 122.799 0.400 . 1 . . . A 25 ALA N . 19552 1 273 . 1 1 26 26 CYS H H 1 8.691 0.020 . 1 . . . A 26 CYS H . 19552 1 274 . 1 1 26 26 CYS HA H 1 4.713 0.020 . 1 . . . A 26 CYS HA . 19552 1 275 . 1 1 26 26 CYS HB2 H 1 2.662 0.020 . 2 . . . A 26 CYS HB2 . 19552 1 276 . 1 1 26 26 CYS HB3 H 1 2.662 0.020 . 2 . . . A 26 CYS HB3 . 19552 1 277 . 1 1 26 26 CYS C C 13 175.945 0.400 . 1 . . . A 26 CYS C . 19552 1 278 . 1 1 26 26 CYS CA C 13 55.572 0.400 . 1 . . . A 26 CYS CA . 19552 1 279 . 1 1 26 26 CYS CB C 13 36.331 0.400 . 1 . . . A 26 CYS CB . 19552 1 280 . 1 1 26 26 CYS N N 15 118.932 0.400 . 1 . . . A 26 CYS N . 19552 1 281 . 1 1 27 27 ILE H H 1 8.617 0.020 . 1 . . . A 27 ILE H . 19552 1 282 . 1 1 27 27 ILE HA H 1 3.333 0.020 . 1 . . . A 27 ILE HA . 19552 1 283 . 1 1 27 27 ILE HB H 1 1.911 0.020 . 1 . . . A 27 ILE HB . 19552 1 284 . 1 1 27 27 ILE HG12 H 1 1.204 0.020 . 2 . . . A 27 ILE HG12 . 19552 1 285 . 1 1 27 27 ILE HG13 H 1 1.886 0.020 . 2 . . . A 27 ILE HG13 . 19552 1 286 . 1 1 27 27 ILE HG21 H 1 0.994 0.020 . 1 . . . A 27 ILE HG21 . 19552 1 287 . 1 1 27 27 ILE HG22 H 1 0.994 0.020 . 1 . . . A 27 ILE HG22 . 19552 1 288 . 1 1 27 27 ILE HG23 H 1 0.994 0.020 . 1 . . . A 27 ILE HG23 . 19552 1 289 . 1 1 27 27 ILE HD11 H 1 1.005 0.020 . 1 . . . A 27 ILE HD11 . 19552 1 290 . 1 1 27 27 ILE HD12 H 1 1.005 0.020 . 1 . . . A 27 ILE HD12 . 19552 1 291 . 1 1 27 27 ILE HD13 H 1 1.005 0.020 . 1 . . . A 27 ILE HD13 . 19552 1 292 . 1 1 27 27 ILE C C 13 178.580 0.400 . 1 . . . A 27 ILE C . 19552 1 293 . 1 1 27 27 ILE CA C 13 67.141 0.400 . 1 . . . A 27 ILE CA . 19552 1 294 . 1 1 27 27 ILE CB C 13 37.993 0.400 . 1 . . . A 27 ILE CB . 19552 1 295 . 1 1 27 27 ILE CG1 C 13 30.769 0.400 . 1 . . . A 27 ILE CG1 . 19552 1 296 . 1 1 27 27 ILE CG2 C 13 17.705 0.400 . 1 . . . A 27 ILE CG2 . 19552 1 297 . 1 1 27 27 ILE CD1 C 13 13.986 0.400 . 1 . . . A 27 ILE CD1 . 19552 1 298 . 1 1 27 27 ILE N N 15 120.719 0.400 . 1 . . . A 27 ILE N . 19552 1 299 . 1 1 28 28 SER H H 1 7.979 0.020 . 1 . . . A 28 SER H . 19552 1 300 . 1 1 28 28 SER HA H 1 4.024 0.020 . 1 . . . A 28 SER HA . 19552 1 301 . 1 1 28 28 SER HB2 H 1 4.167 0.020 . 2 . . . A 28 SER HB2 . 19552 1 302 . 1 1 28 28 SER HB3 H 1 4.167 0.020 . 2 . . . A 28 SER HB3 . 19552 1 303 . 1 1 28 28 SER C C 13 176.950 0.400 . 1 . . . A 28 SER C . 19552 1 304 . 1 1 28 28 SER CA C 13 62.789 0.400 . 1 . . . A 28 SER CA . 19552 1 305 . 1 1 28 28 SER CB C 13 62.250 0.400 . 1 . . . A 28 SER CB . 19552 1 306 . 1 1 28 28 SER N N 15 113.943 0.400 . 1 . . . A 28 SER N . 19552 1 307 . 1 1 29 29 SER H H 1 8.398 0.020 . 1 . . . A 29 SER H . 19552 1 308 . 1 1 29 29 SER HA H 1 4.368 0.020 . 1 . . . A 29 SER HA . 19552 1 309 . 1 1 29 29 SER HB2 H 1 4.167 0.020 . 2 . . . A 29 SER HB2 . 19552 1 310 . 1 1 29 29 SER HB3 H 1 4.167 0.020 . 2 . . . A 29 SER HB3 . 19552 1 311 . 1 1 29 29 SER C C 13 178.416 0.400 . 1 . . . A 29 SER C . 19552 1 312 . 1 1 29 29 SER CA C 13 61.091 0.400 . 1 . . . A 29 SER CA . 19552 1 313 . 1 1 29 29 SER CB C 13 63.329 0.400 . 1 . . . A 29 SER CB . 19552 1 314 . 1 1 29 29 SER N N 15 117.700 0.400 . 1 . . . A 29 SER N . 19552 1 315 . 1 1 30 30 CYS H H 1 8.847 0.020 . 1 . . . A 30 CYS H . 19552 1 316 . 1 1 30 30 CYS HA H 1 4.446 0.020 . 1 . . . A 30 CYS HA . 19552 1 317 . 1 1 30 30 CYS HB2 H 1 2.647 0.020 . 2 . . . A 30 CYS HB2 . 19552 1 318 . 1 1 30 30 CYS HB3 H 1 2.647 0.020 . 2 . . . A 30 CYS HB3 . 19552 1 319 . 1 1 30 30 CYS C C 13 177.681 0.400 . 1 . . . A 30 CYS C . 19552 1 320 . 1 1 30 30 CYS CA C 13 58.035 0.400 . 1 . . . A 30 CYS CA . 19552 1 321 . 1 1 30 30 CYS CB C 13 36.392 0.400 . 1 . . . A 30 CYS CB . 19552 1 322 . 1 1 30 30 CYS N N 15 120.023 0.400 . 1 . . . A 30 CYS N . 19552 1 323 . 1 1 31 31 LYS H H 1 8.640 0.020 . 1 . . . A 31 LYS H . 19552 1 324 . 1 1 31 31 LYS HA H 1 4.538 0.020 . 1 . . . A 31 LYS HA . 19552 1 325 . 1 1 31 31 LYS HB2 H 1 1.975 0.020 . 2 . . . A 31 LYS HB2 . 19552 1 326 . 1 1 31 31 LYS HB3 H 1 1.975 0.020 . 2 . . . A 31 LYS HB3 . 19552 1 327 . 1 1 31 31 LYS HG2 H 1 1.466 0.020 . 2 . . . A 31 LYS HG2 . 19552 1 328 . 1 1 31 31 LYS HG3 H 1 1.588 0.020 . 2 . . . A 31 LYS HG3 . 19552 1 329 . 1 1 31 31 LYS HD2 H 1 1.705 0.020 . 2 . . . A 31 LYS HD2 . 19552 1 330 . 1 1 31 31 LYS HD3 H 1 1.705 0.020 . 2 . . . A 31 LYS HD3 . 19552 1 331 . 1 1 31 31 LYS HE2 H 1 2.973 0.020 . 2 . . . A 31 LYS HE2 . 19552 1 332 . 1 1 31 31 LYS HE3 H 1 2.973 0.020 . 2 . . . A 31 LYS HE3 . 19552 1 333 . 1 1 31 31 LYS C C 13 181.518 0.400 . 1 . . . A 31 LYS C . 19552 1 334 . 1 1 31 31 LYS CA C 13 59.789 0.400 . 1 . . . A 31 LYS CA . 19552 1 335 . 1 1 31 31 LYS CB C 13 31.860 0.400 . 1 . . . A 31 LYS CB . 19552 1 336 . 1 1 31 31 LYS CG C 13 25.271 0.400 . 1 . . . A 31 LYS CG . 19552 1 337 . 1 1 31 31 LYS CD C 13 29.430 0.400 . 1 . . . A 31 LYS CD . 19552 1 338 . 1 1 31 31 LYS CE C 13 42.157 0.400 . 1 . . . A 31 LYS CE . 19552 1 339 . 1 1 31 31 LYS N N 15 124.288 0.400 . 1 . . . A 31 LYS N . 19552 1 340 . 1 1 32 32 PHE H H 1 8.033 0.020 . 1 . . . A 32 PHE H . 19552 1 341 . 1 1 32 32 PHE HA H 1 4.513 0.020 . 1 . . . A 32 PHE HA . 19552 1 342 . 1 1 32 32 PHE HB2 H 1 3.472 0.020 . 2 . . . A 32 PHE HB2 . 19552 1 343 . 1 1 32 32 PHE HB3 H 1 3.357 0.020 . 2 . . . A 32 PHE HB3 . 19552 1 344 . 1 1 32 32 PHE HD1 H 1 7.386 0.020 . 1 . . . A 32 PHE HD1 . 19552 1 345 . 1 1 32 32 PHE HD2 H 1 7.386 0.020 . 1 . . . A 32 PHE HD2 . 19552 1 346 . 1 1 32 32 PHE HE1 H 1 7.375 0.020 . 1 . . . A 32 PHE HE1 . 19552 1 347 . 1 1 32 32 PHE HE2 H 1 7.375 0.020 . 1 . . . A 32 PHE HE2 . 19552 1 348 . 1 1 32 32 PHE C C 13 176.834 0.400 . 1 . . . A 32 PHE C . 19552 1 349 . 1 1 32 32 PHE CA C 13 60.721 0.400 . 1 . . . A 32 PHE CA . 19552 1 350 . 1 1 32 32 PHE CB C 13 38.682 0.400 . 1 . . . A 32 PHE CB . 19552 1 351 . 1 1 32 32 PHE CD1 C 13 132.527 0.400 . 1 . . . A 32 PHE CD1 . 19552 1 352 . 1 1 32 32 PHE CD2 C 13 132.527 0.400 . 1 . . . A 32 PHE CD2 . 19552 1 353 . 1 1 32 32 PHE CE1 C 13 131.534 0.400 . 1 . . . A 32 PHE CE1 . 19552 1 354 . 1 1 32 32 PHE CE2 C 13 131.534 0.400 . 1 . . . A 32 PHE CE2 . 19552 1 355 . 1 1 32 32 PHE N N 15 121.183 0.400 . 1 . . . A 32 PHE N . 19552 1 356 . 1 1 33 33 GLN H H 1 7.482 0.020 . 1 . . . A 33 GLN H . 19552 1 357 . 1 1 33 33 GLN HA H 1 4.450 0.020 . 1 . . . A 33 GLN HA . 19552 1 358 . 1 1 33 33 GLN HB2 H 1 2.169 0.020 . 2 . . . A 33 GLN HB2 . 19552 1 359 . 1 1 33 33 GLN HB3 H 1 2.169 0.020 . 2 . . . A 33 GLN HB3 . 19552 1 360 . 1 1 33 33 GLN HG2 H 1 2.446 0.020 . 2 . . . A 33 GLN HG2 . 19552 1 361 . 1 1 33 33 GLN HG3 H 1 2.637 0.020 . 2 . . . A 33 GLN HG3 . 19552 1 362 . 1 1 33 33 GLN HE21 H 1 7.108 0.020 . 2 . . . A 33 GLN HE21 . 19552 1 363 . 1 1 33 33 GLN HE22 H 1 7.570 0.020 . 2 . . . A 33 GLN HE22 . 19552 1 364 . 1 1 33 33 GLN C C 13 174.236 0.400 . 1 . . . A 33 GLN C . 19552 1 365 . 1 1 33 33 GLN CA C 13 55.176 0.400 . 1 . . . A 33 GLN CA . 19552 1 366 . 1 1 33 33 GLN CB C 13 29.401 0.400 . 1 . . . A 33 GLN CB . 19552 1 367 . 1 1 33 33 GLN CG C 13 34.489 0.400 . 1 . . . A 33 GLN CG . 19552 1 368 . 1 1 33 33 GLN N N 15 116.602 0.400 . 1 . . . A 33 GLN N . 19552 1 369 . 1 1 33 33 GLN NE2 N 15 112.051 0.400 . 1 . . . A 33 GLN NE2 . 19552 1 370 . 1 1 34 34 ASN H H 1 8.053 0.020 . 1 . . . A 34 ASN H . 19552 1 371 . 1 1 34 34 ASN HA H 1 4.441 0.020 . 1 . . . A 34 ASN HA . 19552 1 372 . 1 1 34 34 ASN HB2 H 1 2.897 0.020 . 2 . . . A 34 ASN HB2 . 19552 1 373 . 1 1 34 34 ASN HB3 H 1 3.265 0.020 . 2 . . . A 34 ASN HB3 . 19552 1 374 . 1 1 34 34 ASN HD21 H 1 7.581 0.020 . 2 . . . A 34 ASN HD21 . 19552 1 375 . 1 1 34 34 ASN HD22 H 1 6.924 0.020 . 2 . . . A 34 ASN HD22 . 19552 1 376 . 1 1 34 34 ASN C C 13 174.477 0.400 . 1 . . . A 34 ASN C . 19552 1 377 . 1 1 34 34 ASN CA C 13 54.625 0.400 . 1 . . . A 34 ASN CA . 19552 1 378 . 1 1 34 34 ASN CB C 13 36.774 0.400 . 1 . . . A 34 ASN CB . 19552 1 379 . 1 1 34 34 ASN N N 15 113.176 0.400 . 1 . . . A 34 ASN N . 19552 1 380 . 1 1 34 34 ASN ND2 N 15 112.375 0.400 . 1 . . . A 34 ASN ND2 . 19552 1 381 . 1 1 35 35 CYS H H 1 8.207 0.020 . 1 . . . A 35 CYS H . 19552 1 382 . 1 1 35 35 CYS HA H 1 5.286 0.020 . 1 . . . A 35 CYS HA . 19552 1 383 . 1 1 35 35 CYS HB2 H 1 3.052 0.020 . 2 . . . A 35 CYS HB2 . 19552 1 384 . 1 1 35 35 CYS HB3 H 1 3.404 0.020 . 2 . . . A 35 CYS HB3 . 19552 1 385 . 1 1 35 35 CYS C C 13 174.469 0.400 . 1 . . . A 35 CYS C . 19552 1 386 . 1 1 35 35 CYS CA C 13 55.882 0.400 . 1 . . . A 35 CYS CA . 19552 1 387 . 1 1 35 35 CYS CB C 13 46.807 0.400 . 1 . . . A 35 CYS CB . 19552 1 388 . 1 1 35 35 CYS N N 15 115.883 0.400 . 1 . . . A 35 CYS N . 19552 1 389 . 1 1 36 36 GLY H H 1 8.323 0.020 . 1 . . . A 36 GLY H . 19552 1 390 . 1 1 36 36 GLY HA2 H 1 3.979 0.020 . 2 . . . A 36 GLY HA2 . 19552 1 391 . 1 1 36 36 GLY HA3 H 1 3.786 0.020 . 2 . . . A 36 GLY HA3 . 19552 1 392 . 1 1 36 36 GLY C C 13 173.089 0.400 . 1 . . . A 36 GLY C . 19552 1 393 . 1 1 36 36 GLY CA C 13 46.750 0.400 . 1 . . . A 36 GLY CA . 19552 1 394 . 1 1 36 36 GLY N N 15 109.186 0.400 . 1 . . . A 36 GLY N . 19552 1 395 . 1 1 37 37 THR H H 1 7.840 0.020 . 1 . . . A 37 THR H . 19552 1 396 . 1 1 37 37 THR HA H 1 4.488 0.020 . 1 . . . A 37 THR HA . 19552 1 397 . 1 1 37 37 THR HB H 1 4.213 0.020 . 1 . . . A 37 THR HB . 19552 1 398 . 1 1 37 37 THR HG21 H 1 0.988 0.020 . 1 . . . A 37 THR HG21 . 19552 1 399 . 1 1 37 37 THR HG22 H 1 0.988 0.020 . 1 . . . A 37 THR HG22 . 19552 1 400 . 1 1 37 37 THR HG23 H 1 0.988 0.020 . 1 . . . A 37 THR HG23 . 19552 1 401 . 1 1 37 37 THR C C 13 171.669 0.400 . 1 . . . A 37 THR C . 19552 1 402 . 1 1 37 37 THR CA C 13 60.637 0.400 . 1 . . . A 37 THR CA . 19552 1 403 . 1 1 37 37 THR CB C 13 68.679 0.400 . 1 . . . A 37 THR CB . 19552 1 404 . 1 1 37 37 THR CG2 C 13 18.933 0.400 . 1 . . . A 37 THR CG2 . 19552 1 405 . 1 1 37 37 THR N N 15 111.632 0.400 . 1 . . . A 37 THR N . 19552 1 406 . 1 1 38 38 GLY H H 1 7.900 0.020 . 1 . . . A 38 GLY H . 19552 1 407 . 1 1 38 38 GLY HA2 H 1 5.052 0.020 . 2 . . . A 38 GLY HA2 . 19552 1 408 . 1 1 38 38 GLY HA3 H 1 4.113 0.020 . 2 . . . A 38 GLY HA3 . 19552 1 409 . 1 1 38 38 GLY C C 13 171.421 0.400 . 1 . . . A 38 GLY C . 19552 1 410 . 1 1 38 38 GLY CA C 13 46.735 0.400 . 1 . . . A 38 GLY CA . 19552 1 411 . 1 1 38 38 GLY N N 15 107.766 0.400 . 1 . . . A 38 GLY N . 19552 1 412 . 1 1 39 39 HIS H H 1 8.556 0.020 . 1 . . . A 39 HIS H . 19552 1 413 . 1 1 39 39 HIS HA H 1 4.984 0.020 . 1 . . . A 39 HIS HA . 19552 1 414 . 1 1 39 39 HIS HB2 H 1 3.279 0.020 . 2 . . . A 39 HIS HB2 . 19552 1 415 . 1 1 39 39 HIS HB3 H 1 3.279 0.020 . 2 . . . A 39 HIS HB3 . 19552 1 416 . 1 1 39 39 HIS HD2 H 1 7.100 0.020 . 1 . . . A 39 HIS HD2 . 19552 1 417 . 1 1 39 39 HIS HE1 H 1 8.403 0.020 . 1 . . . A 39 HIS HE1 . 19552 1 418 . 1 1 39 39 HIS C C 13 172.300 0.400 . 1 . . . A 39 HIS C . 19552 1 419 . 1 1 39 39 HIS CA C 13 55.280 0.400 . 1 . . . A 39 HIS CA . 19552 1 420 . 1 1 39 39 HIS CB C 13 32.062 0.400 . 1 . . . A 39 HIS CB . 19552 1 421 . 1 1 39 39 HIS CD2 C 13 120.082 0.400 . 1 . . . A 39 HIS CD2 . 19552 1 422 . 1 1 39 39 HIS CE1 C 13 135.910 0.400 . 1 . . . A 39 HIS CE1 . 19552 1 423 . 1 1 39 39 HIS N N 15 114.736 0.400 . 1 . . . A 39 HIS N . 19552 1 424 . 1 1 40 40 CYS H H 1 9.171 0.020 . 1 . . . A 40 CYS H . 19552 1 425 . 1 1 40 40 CYS HA H 1 5.548 0.020 . 1 . . . A 40 CYS HA . 19552 1 426 . 1 1 40 40 CYS HB2 H 1 2.946 0.020 . 2 . . . A 40 CYS HB2 . 19552 1 427 . 1 1 40 40 CYS HB3 H 1 3.567 0.020 . 2 . . . A 40 CYS HB3 . 19552 1 428 . 1 1 40 40 CYS C C 13 175.262 0.400 . 1 . . . A 40 CYS C . 19552 1 429 . 1 1 40 40 CYS CA C 13 53.750 0.400 . 1 . . . A 40 CYS CA . 19552 1 430 . 1 1 40 40 CYS CB C 13 40.792 0.400 . 1 . . . A 40 CYS CB . 19552 1 431 . 1 1 40 40 CYS N N 15 120.829 0.400 . 1 . . . A 40 CYS N . 19552 1 432 . 1 1 41 41 GLU H H 1 9.526 0.020 . 1 . . . A 41 GLU H . 19552 1 433 . 1 1 41 41 GLU HA H 1 4.736 0.020 . 1 . . . A 41 GLU HA . 19552 1 434 . 1 1 41 41 GLU HB2 H 1 1.819 0.020 . 2 . . . A 41 GLU HB2 . 19552 1 435 . 1 1 41 41 GLU HB3 H 1 2.195 0.020 . 2 . . . A 41 GLU HB3 . 19552 1 436 . 1 1 41 41 GLU HG2 H 1 2.387 0.020 . 2 . . . A 41 GLU HG2 . 19552 1 437 . 1 1 41 41 GLU HG3 H 1 2.387 0.020 . 2 . . . A 41 GLU HG3 . 19552 1 438 . 1 1 41 41 GLU C C 13 174.513 0.400 . 1 . . . A 41 GLU C . 19552 1 439 . 1 1 41 41 GLU CA C 13 55.025 0.400 . 1 . . . A 41 GLU CA . 19552 1 440 . 1 1 41 41 GLU CB C 13 34.294 0.400 . 1 . . . A 41 GLU CB . 19552 1 441 . 1 1 41 41 GLU CG C 13 36.142 0.400 . 1 . . . A 41 GLU CG . 19552 1 442 . 1 1 41 41 GLU N N 15 121.498 0.400 . 1 . . . A 41 GLU N . 19552 1 443 . 1 1 42 42 ARG H H 1 9.092 0.020 . 1 . . . A 42 ARG H . 19552 1 444 . 1 1 42 42 ARG HA H 1 4.695 0.020 . 1 . . . A 42 ARG HA . 19552 1 445 . 1 1 42 42 ARG HB2 H 1 1.784 0.020 . 2 . . . A 42 ARG HB2 . 19552 1 446 . 1 1 42 42 ARG HB3 H 1 1.658 0.020 . 2 . . . A 42 ARG HB3 . 19552 1 447 . 1 1 42 42 ARG HG2 H 1 1.399 0.020 . 2 . . . A 42 ARG HG2 . 19552 1 448 . 1 1 42 42 ARG HG3 H 1 1.512 0.020 . 2 . . . A 42 ARG HG3 . 19552 1 449 . 1 1 42 42 ARG HD2 H 1 3.155 0.020 . 2 . . . A 42 ARG HD2 . 19552 1 450 . 1 1 42 42 ARG HD3 H 1 3.155 0.020 . 2 . . . A 42 ARG HD3 . 19552 1 451 . 1 1 42 42 ARG HE H 1 7.317 0.020 . 1 . . . A 42 ARG HE . 19552 1 452 . 1 1 42 42 ARG C C 13 175.923 0.400 . 1 . . . A 42 ARG C . 19552 1 453 . 1 1 42 42 ARG CA C 13 56.011 0.400 . 1 . . . A 42 ARG CA . 19552 1 454 . 1 1 42 42 ARG CB C 13 30.394 0.400 . 1 . . . A 42 ARG CB . 19552 1 455 . 1 1 42 42 ARG CG C 13 28.116 0.400 . 1 . . . A 42 ARG CG . 19552 1 456 . 1 1 42 42 ARG CD C 13 43.602 0.400 . 1 . . . A 42 ARG CD . 19552 1 457 . 1 1 42 42 ARG N N 15 123.685 0.400 . 1 . . . A 42 ARG N . 19552 1 458 . 1 1 42 42 ARG NE N 15 84.660 0.400 . 1 . . . A 42 ARG NE . 19552 1 459 . 1 1 43 43 ARG H H 1 8.327 0.020 . 1 . . . A 43 ARG H . 19552 1 460 . 1 1 43 43 ARG HA H 1 4.756 0.020 . 1 . . . A 43 ARG HA . 19552 1 461 . 1 1 43 43 ARG HB2 H 1 2.013 0.020 . 2 . . . A 43 ARG HB2 . 19552 1 462 . 1 1 43 43 ARG HB3 H 1 2.013 0.020 . 2 . . . A 43 ARG HB3 . 19552 1 463 . 1 1 43 43 ARG HG2 H 1 1.662 0.020 . 2 . . . A 43 ARG HG2 . 19552 1 464 . 1 1 43 43 ARG HG3 H 1 1.662 0.020 . 2 . . . A 43 ARG HG3 . 19552 1 465 . 1 1 43 43 ARG HD2 H 1 3.315 0.020 . 2 . . . A 43 ARG HD2 . 19552 1 466 . 1 1 43 43 ARG HD3 H 1 3.315 0.020 . 2 . . . A 43 ARG HD3 . 19552 1 467 . 1 1 43 43 ARG HE H 1 7.432 0.020 . 1 . . . A 43 ARG HE . 19552 1 468 . 1 1 43 43 ARG C C 13 177.302 0.400 . 1 . . . A 43 ARG C . 19552 1 469 . 1 1 43 43 ARG CA C 13 55.066 0.400 . 1 . . . A 43 ARG CA . 19552 1 470 . 1 1 43 43 ARG CB C 13 31.982 0.400 . 1 . . . A 43 ARG CB . 19552 1 471 . 1 1 43 43 ARG CG C 13 27.199 0.400 . 1 . . . A 43 ARG CG . 19552 1 472 . 1 1 43 43 ARG CD C 13 43.782 0.400 . 1 . . . A 43 ARG CD . 19552 1 473 . 1 1 43 43 ARG N N 15 124.944 0.400 . 1 . . . A 43 ARG N . 19552 1 474 . 1 1 43 43 ARG NE N 15 84.192 0.400 . 1 . . . A 43 ARG NE . 19552 1 475 . 1 1 44 44 GLY H H 1 9.479 0.020 . 1 . . . A 44 GLY H . 19552 1 476 . 1 1 44 44 GLY HA2 H 1 3.903 0.020 . 2 . . . A 44 GLY HA2 . 19552 1 477 . 1 1 44 44 GLY HA3 H 1 3.903 0.020 . 2 . . . A 44 GLY HA3 . 19552 1 478 . 1 1 44 44 GLY C C 13 175.739 0.400 . 1 . . . A 44 GLY C . 19552 1 479 . 1 1 44 44 GLY CA C 13 47.205 0.400 . 1 . . . A 44 GLY CA . 19552 1 480 . 1 1 44 44 GLY N N 15 118.484 0.400 . 1 . . . A 44 GLY N . 19552 1 481 . 1 1 45 45 GLY H H 1 8.602 0.020 . 1 . . . A 45 GLY H . 19552 1 482 . 1 1 45 45 GLY HA2 H 1 3.650 0.020 . 2 . . . A 45 GLY HA2 . 19552 1 483 . 1 1 45 45 GLY HA3 H 1 4.281 0.020 . 2 . . . A 45 GLY HA3 . 19552 1 484 . 1 1 45 45 GLY C C 13 173.882 0.400 . 1 . . . A 45 GLY C . 19552 1 485 . 1 1 45 45 GLY CA C 13 44.950 0.400 . 1 . . . A 45 GLY CA . 19552 1 486 . 1 1 45 45 GLY N N 15 104.870 0.400 . 1 . . . A 45 GLY N . 19552 1 487 . 1 1 46 46 ARG H H 1 7.794 0.020 . 1 . . . A 46 ARG H . 19552 1 488 . 1 1 46 46 ARG HA H 1 4.951 0.020 . 1 . . . A 46 ARG HA . 19552 1 489 . 1 1 46 46 ARG HB2 H 1 1.834 0.020 . 2 . . . A 46 ARG HB2 . 19552 1 490 . 1 1 46 46 ARG HB3 H 1 1.834 0.020 . 2 . . . A 46 ARG HB3 . 19552 1 491 . 1 1 46 46 ARG HG2 H 1 1.534 0.020 . 2 . . . A 46 ARG HG2 . 19552 1 492 . 1 1 46 46 ARG HG3 H 1 1.534 0.020 . 2 . . . A 46 ARG HG3 . 19552 1 493 . 1 1 46 46 ARG HD2 H 1 2.852 0.020 . 2 . . . A 46 ARG HD2 . 19552 1 494 . 1 1 46 46 ARG HD3 H 1 2.852 0.020 . 2 . . . A 46 ARG HD3 . 19552 1 495 . 1 1 46 46 ARG HE H 1 6.979 0.020 . 1 . . . A 46 ARG HE . 19552 1 496 . 1 1 46 46 ARG CA C 13 53.238 0.400 . 1 . . . A 46 ARG CA . 19552 1 497 . 1 1 46 46 ARG CB C 13 31.845 0.400 . 1 . . . A 46 ARG CB . 19552 1 498 . 1 1 46 46 ARG CG C 13 26.315 0.400 . 1 . . . A 46 ARG CG . 19552 1 499 . 1 1 46 46 ARG CD C 13 43.412 0.400 . 1 . . . A 46 ARG CD . 19552 1 500 . 1 1 46 46 ARG N N 15 120.611 0.400 . 1 . . . A 46 ARG N . 19552 1 501 . 1 1 46 46 ARG NE N 15 84.254 0.400 . 1 . . . A 46 ARG NE . 19552 1 502 . 1 1 47 47 PRO HA H 1 4.485 0.020 . 1 . . . A 47 PRO HA . 19552 1 503 . 1 1 47 47 PRO HB2 H 1 2.310 0.020 . 2 . . . A 47 PRO HB2 . 19552 1 504 . 1 1 47 47 PRO HB3 H 1 2.310 0.020 . 2 . . . A 47 PRO HB3 . 19552 1 505 . 1 1 47 47 PRO HG2 H 1 2.009 0.020 . 2 . . . A 47 PRO HG2 . 19552 1 506 . 1 1 47 47 PRO HG3 H 1 2.009 0.020 . 2 . . . A 47 PRO HG3 . 19552 1 507 . 1 1 47 47 PRO HD2 H 1 3.789 0.020 . 2 . . . A 47 PRO HD2 . 19552 1 508 . 1 1 47 47 PRO HD3 H 1 3.789 0.020 . 2 . . . A 47 PRO HD3 . 19552 1 509 . 1 1 47 47 PRO C C 13 176.600 0.400 . 1 . . . A 47 PRO C . 19552 1 510 . 1 1 47 47 PRO CA C 13 63.355 0.400 . 1 . . . A 47 PRO CA . 19552 1 511 . 1 1 47 47 PRO CB C 13 32.165 0.400 . 1 . . . A 47 PRO CB . 19552 1 512 . 1 1 47 47 PRO CG C 13 27.360 0.400 . 1 . . . A 47 PRO CG . 19552 1 513 . 1 1 47 47 PRO CD C 13 50.978 0.400 . 1 . . . A 47 PRO CD . 19552 1 514 . 1 1 48 48 THR H H 1 9.526 0.020 . 1 . . . A 48 THR H . 19552 1 515 . 1 1 48 48 THR HA H 1 4.546 0.020 . 1 . . . A 48 THR HA . 19552 1 516 . 1 1 48 48 THR HB H 1 3.939 0.020 . 1 . . . A 48 THR HB . 19552 1 517 . 1 1 48 48 THR HG21 H 1 0.994 0.020 . 1 . . . A 48 THR HG21 . 19552 1 518 . 1 1 48 48 THR HG22 H 1 0.994 0.020 . 1 . . . A 48 THR HG22 . 19552 1 519 . 1 1 48 48 THR HG23 H 1 0.994 0.020 . 1 . . . A 48 THR HG23 . 19552 1 520 . 1 1 48 48 THR C C 13 171.198 0.400 . 1 . . . A 48 THR C . 19552 1 521 . 1 1 48 48 THR CA C 13 63.415 0.400 . 1 . . . A 48 THR CA . 19552 1 522 . 1 1 48 48 THR CB C 13 71.932 0.400 . 1 . . . A 48 THR CB . 19552 1 523 . 1 1 48 48 THR CG2 C 13 21.138 0.400 . 1 . . . A 48 THR CG2 . 19552 1 524 . 1 1 48 48 THR N N 15 125.296 0.400 . 1 . . . A 48 THR N . 19552 1 525 . 1 1 49 49 CYS H H 1 8.551 0.020 . 1 . . . A 49 CYS H . 19552 1 526 . 1 1 49 49 CYS HA H 1 4.969 0.020 . 1 . . . A 49 CYS HA . 19552 1 527 . 1 1 49 49 CYS HB2 H 1 3.120 0.020 . 2 . . . A 49 CYS HB2 . 19552 1 528 . 1 1 49 49 CYS HB3 H 1 2.701 0.020 . 2 . . . A 49 CYS HB3 . 19552 1 529 . 1 1 49 49 CYS C C 13 172.343 0.400 . 1 . . . A 49 CYS C . 19552 1 530 . 1 1 49 49 CYS CA C 13 54.970 0.400 . 1 . . . A 49 CYS CA . 19552 1 531 . 1 1 49 49 CYS CB C 13 36.652 0.400 . 1 . . . A 49 CYS CB . 19552 1 532 . 1 1 49 49 CYS N N 15 126.782 0.400 . 1 . . . A 49 CYS N . 19552 1 533 . 1 1 50 50 VAL H H 1 8.834 0.020 . 1 . . . A 50 VAL H . 19552 1 534 . 1 1 50 50 VAL HA H 1 4.204 0.020 . 1 . . . A 50 VAL HA . 19552 1 535 . 1 1 50 50 VAL HB H 1 1.493 0.020 . 1 . . . A 50 VAL HB . 19552 1 536 . 1 1 50 50 VAL HG11 H 1 0.710 0.020 . 2 . . . A 50 VAL HG11 . 19552 1 537 . 1 1 50 50 VAL HG12 H 1 0.710 0.020 . 2 . . . A 50 VAL HG12 . 19552 1 538 . 1 1 50 50 VAL HG13 H 1 0.710 0.020 . 2 . . . A 50 VAL HG13 . 19552 1 539 . 1 1 50 50 VAL HG21 H 1 0.859 0.020 . 2 . . . A 50 VAL HG21 . 19552 1 540 . 1 1 50 50 VAL HG22 H 1 0.859 0.020 . 2 . . . A 50 VAL HG22 . 19552 1 541 . 1 1 50 50 VAL HG23 H 1 0.859 0.020 . 2 . . . A 50 VAL HG23 . 19552 1 542 . 1 1 50 50 VAL C C 13 175.783 0.400 . 1 . . . A 50 VAL C . 19552 1 543 . 1 1 50 50 VAL CA C 13 61.364 0.400 . 1 . . . A 50 VAL CA . 19552 1 544 . 1 1 50 50 VAL CB C 13 32.850 0.400 . 1 . . . A 50 VAL CB . 19552 1 545 . 1 1 50 50 VAL CG1 C 13 20.202 0.400 . 1 . . . A 50 VAL CG1 . 19552 1 546 . 1 1 50 50 VAL CG2 C 13 20.958 0.400 . 1 . . . A 50 VAL CG2 . 19552 1 547 . 1 1 50 50 VAL N N 15 131.341 0.400 . 1 . . . A 50 VAL N . 19552 1 548 . 1 1 51 51 CYS H H 1 8.707 0.020 . 1 . . . A 51 CYS H . 19552 1 549 . 1 1 51 51 CYS HA H 1 5.551 0.020 . 1 . . . A 51 CYS HA . 19552 1 550 . 1 1 51 51 CYS HB2 H 1 2.725 0.020 . 2 . . . A 51 CYS HB2 . 19552 1 551 . 1 1 51 51 CYS HB3 H 1 3.184 0.020 . 2 . . . A 51 CYS HB3 . 19552 1 552 . 1 1 51 51 CYS C C 13 175.266 0.400 . 1 . . . A 51 CYS C . 19552 1 553 . 1 1 51 51 CYS CA C 13 53.045 0.400 . 1 . . . A 51 CYS CA . 19552 1 554 . 1 1 51 51 CYS CB C 13 37.991 0.400 . 1 . . . A 51 CYS CB . 19552 1 555 . 1 1 51 51 CYS N N 15 124.963 0.400 . 1 . . . A 51 CYS N . 19552 1 556 . 1 1 52 52 SER H H 1 8.616 0.020 . 1 . . . A 52 SER H . 19552 1 557 . 1 1 52 52 SER HA H 1 4.754 0.020 . 1 . . . A 52 SER HA . 19552 1 558 . 1 1 52 52 SER HB2 H 1 3.815 0.020 . 2 . . . A 52 SER HB2 . 19552 1 559 . 1 1 52 52 SER HB3 H 1 3.815 0.020 . 2 . . . A 52 SER HB3 . 19552 1 560 . 1 1 52 52 SER C C 13 172.533 0.400 . 1 . . . A 52 SER C . 19552 1 561 . 1 1 52 52 SER CA C 13 57.703 0.400 . 1 . . . A 52 SER CA . 19552 1 562 . 1 1 52 52 SER CB C 13 64.838 0.400 . 1 . . . A 52 SER CB . 19552 1 563 . 1 1 52 52 SER N N 15 115.877 0.400 . 1 . . . A 52 SER N . 19552 1 564 . 1 1 53 53 ARG H H 1 8.847 0.020 . 1 . . . A 53 ARG H . 19552 1 565 . 1 1 53 53 ARG HA H 1 4.016 0.020 . 1 . . . A 53 ARG HA . 19552 1 566 . 1 1 53 53 ARG HB2 H 1 2.010 0.020 . 2 . . . A 53 ARG HB2 . 19552 1 567 . 1 1 53 53 ARG HB3 H 1 2.010 0.020 . 2 . . . A 53 ARG HB3 . 19552 1 568 . 1 1 53 53 ARG HG2 H 1 1.912 0.020 . 2 . . . A 53 ARG HG2 . 19552 1 569 . 1 1 53 53 ARG HG3 H 1 1.912 0.020 . 2 . . . A 53 ARG HG3 . 19552 1 570 . 1 1 53 53 ARG HD2 H 1 3.153 0.020 . 2 . . . A 53 ARG HD2 . 19552 1 571 . 1 1 53 53 ARG HD3 H 1 3.153 0.020 . 2 . . . A 53 ARG HD3 . 19552 1 572 . 1 1 53 53 ARG HE H 1 7.268 0.020 . 1 . . . A 53 ARG HE . 19552 1 573 . 1 1 53 53 ARG C C 13 177.808 0.400 . 1 . . . A 53 ARG C . 19552 1 574 . 1 1 53 53 ARG CA C 13 57.008 0.400 . 1 . . . A 53 ARG CA . 19552 1 575 . 1 1 53 53 ARG CB C 13 27.539 0.400 . 1 . . . A 53 ARG CB . 19552 1 576 . 1 1 53 53 ARG CG C 13 27.514 0.400 . 1 . . . A 53 ARG CG . 19552 1 577 . 1 1 53 53 ARG CD C 13 43.895 0.400 . 1 . . . A 53 ARG CD . 19552 1 578 . 1 1 53 53 ARG N N 15 116.612 0.400 . 1 . . . A 53 ARG N . 19552 1 579 . 1 1 53 53 ARG NE N 15 84.931 0.400 . 1 . . . A 53 ARG NE . 19552 1 580 . 1 1 54 54 CYS H H 1 8.785 0.020 . 1 . . . A 54 CYS H . 19552 1 581 . 1 1 54 54 CYS HA H 1 4.999 0.020 . 1 . . . A 54 CYS HA . 19552 1 582 . 1 1 54 54 CYS HB2 H 1 3.284 0.020 . 2 . . . A 54 CYS HB2 . 19552 1 583 . 1 1 54 54 CYS HB3 H 1 2.940 0.020 . 2 . . . A 54 CYS HB3 . 19552 1 584 . 1 1 54 54 CYS C C 13 175.666 0.400 . 1 . . . A 54 CYS C . 19552 1 585 . 1 1 54 54 CYS CA C 13 56.833 0.400 . 1 . . . A 54 CYS CA . 19552 1 586 . 1 1 54 54 CYS CB C 13 43.446 0.400 . 1 . . . A 54 CYS CB . 19552 1 587 . 1 1 54 54 CYS N N 15 119.474 0.400 . 1 . . . A 54 CYS N . 19552 1 588 . 1 1 55 55 GLY H H 1 8.615 0.020 . 1 . . . A 55 GLY H . 19552 1 589 . 1 1 55 55 GLY HA2 H 1 4.068 0.020 . 2 . . . A 55 GLY HA2 . 19552 1 590 . 1 1 55 55 GLY HA3 H 1 4.068 0.020 . 2 . . . A 55 GLY HA3 . 19552 1 591 . 1 1 55 55 GLY C C 13 174.020 0.400 . 1 . . . A 55 GLY C . 19552 1 592 . 1 1 55 55 GLY CA C 13 45.636 0.400 . 1 . . . A 55 GLY CA . 19552 1 593 . 1 1 55 55 GLY N N 15 110.933 0.400 . 1 . . . A 55 GLY N . 19552 1 594 . 1 1 56 56 ASN H H 1 8.587 0.020 . 1 . . . A 56 ASN H . 19552 1 595 . 1 1 56 56 ASN HA H 1 4.803 0.020 . 1 . . . A 56 ASN HA . 19552 1 596 . 1 1 56 56 ASN HB2 H 1 2.845 0.020 . 2 . . . A 56 ASN HB2 . 19552 1 597 . 1 1 56 56 ASN HB3 H 1 2.845 0.020 . 2 . . . A 56 ASN HB3 . 19552 1 598 . 1 1 56 56 ASN HD21 H 1 7.634 0.020 . 2 . . . A 56 ASN HD21 . 19552 1 599 . 1 1 56 56 ASN HD22 H 1 6.973 0.020 . 2 . . . A 56 ASN HD22 . 19552 1 600 . 1 1 56 56 ASN C C 13 176.160 0.400 . 1 . . . A 56 ASN C . 19552 1 601 . 1 1 56 56 ASN CA C 13 53.236 0.400 . 1 . . . A 56 ASN CA . 19552 1 602 . 1 1 56 56 ASN CB C 13 38.960 0.400 . 1 . . . A 56 ASN CB . 19552 1 603 . 1 1 56 56 ASN N N 15 118.995 0.400 . 1 . . . A 56 ASN N . 19552 1 604 . 1 1 56 56 ASN ND2 N 15 112.916 0.400 . 1 . . . A 56 ASN ND2 . 19552 1 605 . 1 1 57 57 GLY H H 1 8.584 0.020 . 1 . . . A 57 GLY H . 19552 1 606 . 1 1 57 57 GLY HA2 H 1 3.995 0.020 . 2 . . . A 57 GLY HA2 . 19552 1 607 . 1 1 57 57 GLY HA3 H 1 3.995 0.020 . 2 . . . A 57 GLY HA3 . 19552 1 608 . 1 1 57 57 GLY C C 13 174.914 0.400 . 1 . . . A 57 GLY C . 19552 1 609 . 1 1 57 57 GLY CA C 13 45.570 0.400 . 1 . . . A 57 GLY CA . 19552 1 610 . 1 1 57 57 GLY N N 15 109.741 0.400 . 1 . . . A 57 GLY N . 19552 1 611 . 1 1 58 58 GLY H H 1 8.370 0.020 . 1 . . . A 58 GLY H . 19552 1 612 . 1 1 58 58 GLY HA2 H 1 4.030 0.020 . 2 . . . A 58 GLY HA2 . 19552 1 613 . 1 1 58 58 GLY HA3 H 1 4.030 0.020 . 2 . . . A 58 GLY HA3 . 19552 1 614 . 1 1 58 58 GLY C C 13 174.748 0.400 . 1 . . . A 58 GLY C . 19552 1 615 . 1 1 58 58 GLY CA C 13 45.510 0.400 . 1 . . . A 58 GLY CA . 19552 1 616 . 1 1 58 58 GLY N N 15 108.896 0.400 . 1 . . . A 58 GLY N . 19552 1 617 . 1 1 59 59 GLY H H 1 8.250 0.020 . 1 . . . A 59 GLY H . 19552 1 618 . 1 1 59 59 GLY HA2 H 1 3.937 0.020 . 2 . . . A 59 GLY HA2 . 19552 1 619 . 1 1 59 59 GLY HA3 H 1 3.937 0.020 . 2 . . . A 59 GLY HA3 . 19552 1 620 . 1 1 59 59 GLY C C 13 173.892 0.400 . 1 . . . A 59 GLY C . 19552 1 621 . 1 1 59 59 GLY CA C 13 45.175 0.400 . 1 . . . A 59 GLY CA . 19552 1 622 . 1 1 59 59 GLY N N 15 108.706 0.400 . 1 . . . A 59 GLY N . 19552 1 623 . 1 1 60 60 GLU H H 1 8.246 0.020 . 1 . . . A 60 GLU H . 19552 1 624 . 1 1 60 60 GLU HA H 1 4.272 0.020 . 1 . . . A 60 GLU HA . 19552 1 625 . 1 1 60 60 GLU HB2 H 1 1.895 0.020 . 2 . . . A 60 GLU HB2 . 19552 1 626 . 1 1 60 60 GLU HB3 H 1 1.807 0.020 . 2 . . . A 60 GLU HB3 . 19552 1 627 . 1 1 60 60 GLU HG2 H 1 2.179 0.020 . 2 . . . A 60 GLU HG2 . 19552 1 628 . 1 1 60 60 GLU HG3 H 1 2.105 0.020 . 2 . . . A 60 GLU HG3 . 19552 1 629 . 1 1 60 60 GLU C C 13 175.992 0.400 . 1 . . . A 60 GLU C . 19552 1 630 . 1 1 60 60 GLU CA C 13 56.363 0.400 . 1 . . . A 60 GLU CA . 19552 1 631 . 1 1 60 60 GLU CB C 13 30.385 0.400 . 1 . . . A 60 GLU CB . 19552 1 632 . 1 1 60 60 GLU CG C 13 36.139 0.400 . 1 . . . A 60 GLU CG . 19552 1 633 . 1 1 60 60 GLU N N 15 120.238 0.400 . 1 . . . A 60 GLU N . 19552 1 634 . 1 1 61 61 TRP H H 1 8.330 0.020 . 1 . . . A 61 TRP H . 19552 1 635 . 1 1 61 61 TRP HA H 1 5.005 0.020 . 1 . . . A 61 TRP HA . 19552 1 636 . 1 1 61 61 TRP HB2 H 1 3.375 0.020 . 2 . . . A 61 TRP HB2 . 19552 1 637 . 1 1 61 61 TRP HB3 H 1 3.180 0.020 . 2 . . . A 61 TRP HB3 . 19552 1 638 . 1 1 61 61 TRP HD1 H 1 7.268 0.020 . 1 . . . A 61 TRP HD1 . 19552 1 639 . 1 1 61 61 TRP HE1 H 1 10.117 0.020 . 1 . . . A 61 TRP HE1 . 19552 1 640 . 1 1 61 61 TRP HE3 H 1 7.709 0.020 . 1 . . . A 61 TRP HE3 . 19552 1 641 . 1 1 61 61 TRP HZ2 H 1 7.522 0.020 . 1 . . . A 61 TRP HZ2 . 19552 1 642 . 1 1 61 61 TRP HZ3 H 1 7.181 0.020 . 1 . . . A 61 TRP HZ3 . 19552 1 643 . 1 1 61 61 TRP HH2 H 1 7.190 0.020 . 1 . . . A 61 TRP HH2 . 19552 1 644 . 1 1 61 61 TRP CA C 13 54.905 0.400 . 1 . . . A 61 TRP CA . 19552 1 645 . 1 1 61 61 TRP CB C 13 29.281 0.400 . 1 . . . A 61 TRP CB . 19552 1 646 . 1 1 61 61 TRP CD1 C 13 124.453 0.400 . 1 . . . A 61 TRP CD1 . 19552 1 647 . 1 1 61 61 TRP CE3 C 13 121.174 0.400 . 1 . . . A 61 TRP CE3 . 19552 1 648 . 1 1 61 61 TRP CZ2 C 13 114.614 0.400 . 1 . . . A 61 TRP CZ2 . 19552 1 649 . 1 1 61 61 TRP CZ3 C 13 121.078 0.400 . 1 . . . A 61 TRP CZ3 . 19552 1 650 . 1 1 61 61 TRP CH2 C 13 122.435 0.400 . 1 . . . A 61 TRP CH2 . 19552 1 651 . 1 1 61 61 TRP N N 15 123.067 0.400 . 1 . . . A 61 TRP N . 19552 1 652 . 1 1 61 61 TRP NE1 N 15 129.130 0.400 . 1 . . . A 61 TRP NE1 . 19552 1 653 . 1 1 62 62 PRO HA H 1 4.534 0.020 . 1 . . . A 62 PRO HA . 19552 1 654 . 1 1 62 62 PRO HB2 H 1 2.019 0.020 . 2 . . . A 62 PRO HB2 . 19552 1 655 . 1 1 62 62 PRO HB3 H 1 2.019 0.020 . 2 . . . A 62 PRO HB3 . 19552 1 656 . 1 1 62 62 PRO HG2 H 1 2.072 0.020 . 2 . . . A 62 PRO HG2 . 19552 1 657 . 1 1 62 62 PRO HG3 H 1 2.072 0.020 . 2 . . . A 62 PRO HG3 . 19552 1 658 . 1 1 62 62 PRO HD2 H 1 3.696 0.020 . 2 . . . A 62 PRO HD2 . 19552 1 659 . 1 1 62 62 PRO HD3 H 1 3.696 0.020 . 2 . . . A 62 PRO HD3 . 19552 1 660 . 1 1 62 62 PRO C C 13 176.634 0.400 . 1 . . . A 62 PRO C . 19552 1 661 . 1 1 62 62 PRO CA C 13 63.352 0.400 . 1 . . . A 62 PRO CA . 19552 1 662 . 1 1 62 62 PRO CB C 13 32.170 0.400 . 1 . . . A 62 PRO CB . 19552 1 663 . 1 1 62 62 PRO CG C 13 27.452 0.400 . 1 . . . A 62 PRO CG . 19552 1 664 . 1 1 62 62 PRO CD C 13 50.648 0.400 . 1 . . . A 62 PRO CD . 19552 1 665 . 1 1 63 63 ASN H H 1 8.446 0.020 . 1 . . . A 63 ASN H . 19552 1 666 . 1 1 63 63 ASN HA H 1 4.732 0.020 . 1 . . . A 63 ASN HA . 19552 1 667 . 1 1 63 63 ASN HB2 H 1 2.876 0.020 . 2 . . . A 63 ASN HB2 . 19552 1 668 . 1 1 63 63 ASN HB3 H 1 2.743 0.020 . 2 . . . A 63 ASN HB3 . 19552 1 669 . 1 1 63 63 ASN HD21 H 1 7.635 0.020 . 2 . . . A 63 ASN HD21 . 19552 1 670 . 1 1 63 63 ASN HD22 H 1 6.993 0.020 . 2 . . . A 63 ASN HD22 . 19552 1 671 . 1 1 63 63 ASN C C 13 174.777 0.400 . 1 . . . A 63 ASN C . 19552 1 672 . 1 1 63 63 ASN CA C 13 53.081 0.400 . 1 . . . A 63 ASN CA . 19552 1 673 . 1 1 63 63 ASN CB C 13 38.965 0.400 . 1 . . . A 63 ASN CB . 19552 1 674 . 1 1 63 63 ASN N N 15 118.290 0.400 . 1 . . . A 63 ASN N . 19552 1 675 . 1 1 63 63 ASN ND2 N 15 113.065 0.400 . 1 . . . A 63 ASN ND2 . 19552 1 676 . 1 1 64 64 LEU H H 1 8.197 0.020 . 1 . . . A 64 LEU H . 19552 1 677 . 1 1 64 64 LEU HA H 1 4.695 0.020 . 1 . . . A 64 LEU HA . 19552 1 678 . 1 1 64 64 LEU HB2 H 1 1.676 0.020 . 2 . . . A 64 LEU HB2 . 19552 1 679 . 1 1 64 64 LEU HB3 H 1 1.676 0.020 . 2 . . . A 64 LEU HB3 . 19552 1 680 . 1 1 64 64 LEU HG H 1 1.622 0.020 . 1 . . . A 64 LEU HG . 19552 1 681 . 1 1 64 64 LEU HD11 H 1 0.975 0.020 . 2 . . . A 64 LEU HD11 . 19552 1 682 . 1 1 64 64 LEU HD12 H 1 0.975 0.020 . 2 . . . A 64 LEU HD12 . 19552 1 683 . 1 1 64 64 LEU HD13 H 1 0.975 0.020 . 2 . . . A 64 LEU HD13 . 19552 1 684 . 1 1 64 64 LEU HD21 H 1 0.949 0.020 . 2 . . . A 64 LEU HD21 . 19552 1 685 . 1 1 64 64 LEU HD22 H 1 0.949 0.020 . 2 . . . A 64 LEU HD22 . 19552 1 686 . 1 1 64 64 LEU HD23 H 1 0.949 0.020 . 2 . . . A 64 LEU HD23 . 19552 1 687 . 1 1 64 64 LEU CA C 13 53.262 0.400 . 1 . . . A 64 LEU CA . 19552 1 688 . 1 1 64 64 LEU CB C 13 42.119 0.400 . 1 . . . A 64 LEU CB . 19552 1 689 . 1 1 64 64 LEU CG C 13 27.261 0.400 . 1 . . . A 64 LEU CG . 19552 1 690 . 1 1 64 64 LEU CD1 C 13 25.288 0.400 . 1 . . . A 64 LEU CD1 . 19552 1 691 . 1 1 64 64 LEU CD2 C 13 23.577 0.400 . 1 . . . A 64 LEU CD2 . 19552 1 692 . 1 1 64 64 LEU N N 15 123.853 0.400 . 1 . . . A 64 LEU N . 19552 1 693 . 1 1 65 65 PRO HA H 1 4.495 0.020 . 1 . . . A 65 PRO HA . 19552 1 694 . 1 1 65 65 PRO HB2 H 1 1.960 0.020 . 2 . . . A 65 PRO HB2 . 19552 1 695 . 1 1 65 65 PRO HB3 H 1 1.960 0.020 . 2 . . . A 65 PRO HB3 . 19552 1 696 . 1 1 65 65 PRO HG2 H 1 2.000 0.020 . 2 . . . A 65 PRO HG2 . 19552 1 697 . 1 1 65 65 PRO HG3 H 1 2.000 0.020 . 2 . . . A 65 PRO HG3 . 19552 1 698 . 1 1 65 65 PRO HD2 H 1 3.596 0.020 . 2 . . . A 65 PRO HD2 . 19552 1 699 . 1 1 65 65 PRO HD3 H 1 3.596 0.020 . 2 . . . A 65 PRO HD3 . 19552 1 700 . 1 1 65 65 PRO C C 13 177.023 0.400 . 1 . . . A 65 PRO C . 19552 1 701 . 1 1 65 65 PRO CA C 13 63.232 0.400 . 1 . . . A 65 PRO CA . 19552 1 702 . 1 1 65 65 PRO CB C 13 31.994 0.400 . 1 . . . A 65 PRO CB . 19552 1 703 . 1 1 65 65 PRO CG C 13 27.549 0.400 . 1 . . . A 65 PRO CG . 19552 1 704 . 1 1 65 65 PRO CD C 13 50.751 0.400 . 1 . . . A 65 PRO CD . 19552 1 705 . 1 1 66 66 SER H H 1 8.434 0.020 . 1 . . . A 66 SER H . 19552 1 706 . 1 1 66 66 SER HA H 1 4.471 0.020 . 1 . . . A 66 SER HA . 19552 1 707 . 1 1 66 66 SER HB2 H 1 3.928 0.020 . 2 . . . A 66 SER HB2 . 19552 1 708 . 1 1 66 66 SER HB3 H 1 3.928 0.020 . 2 . . . A 66 SER HB3 . 19552 1 709 . 1 1 66 66 SER C C 13 174.769 0.400 . 1 . . . A 66 SER C . 19552 1 710 . 1 1 66 66 SER CA C 13 58.393 0.400 . 1 . . . A 66 SER CA . 19552 1 711 . 1 1 66 66 SER CB C 13 63.882 0.400 . 1 . . . A 66 SER CB . 19552 1 712 . 1 1 66 66 SER N N 15 116.096 0.400 . 1 . . . A 66 SER N . 19552 1 713 . 1 1 67 67 ARG H H 1 8.476 0.020 . 1 . . . A 67 ARG H . 19552 1 714 . 1 1 67 67 ARG HA H 1 4.457 0.020 . 1 . . . A 67 ARG HA . 19552 1 715 . 1 1 67 67 ARG HB2 H 1 1.977 0.020 . 2 . . . A 67 ARG HB2 . 19552 1 716 . 1 1 67 67 ARG HB3 H 1 1.827 0.020 . 2 . . . A 67 ARG HB3 . 19552 1 717 . 1 1 67 67 ARG HG2 H 1 1.704 0.020 . 2 . . . A 67 ARG HG2 . 19552 1 718 . 1 1 67 67 ARG HG3 H 1 1.704 0.020 . 2 . . . A 67 ARG HG3 . 19552 1 719 . 1 1 67 67 ARG HD2 H 1 3.240 0.020 . 2 . . . A 67 ARG HD2 . 19552 1 720 . 1 1 67 67 ARG HD3 H 1 3.240 0.020 . 2 . . . A 67 ARG HD3 . 19552 1 721 . 1 1 67 67 ARG HE H 1 7.272 0.020 . 1 . . . A 67 ARG HE . 19552 1 722 . 1 1 67 67 ARG C C 13 175.819 0.400 . 1 . . . A 67 ARG C . 19552 1 723 . 1 1 67 67 ARG CA C 13 56.099 0.400 . 1 . . . A 67 ARG CA . 19552 1 724 . 1 1 67 67 ARG CB C 13 30.879 0.400 . 1 . . . A 67 ARG CB . 19552 1 725 . 1 1 67 67 ARG CG C 13 27.120 0.400 . 1 . . . A 67 ARG CG . 19552 1 726 . 1 1 67 67 ARG CD C 13 43.429 0.400 . 1 . . . A 67 ARG CD . 19552 1 727 . 1 1 67 67 ARG N N 15 123.537 0.400 . 1 . . . A 67 ARG N . 19552 1 728 . 1 1 67 67 ARG NE N 15 84.054 0.400 . 1 . . . A 67 ARG NE . 19552 1 729 . 1 1 68 68 GLY H H 1 8.107 0.020 . 1 . . . A 68 GLY H . 19552 1 730 . 1 1 68 68 GLY HA2 H 1 3.805 0.020 . 2 . . . A 68 GLY HA2 . 19552 1 731 . 1 1 68 68 GLY HA3 H 1 3.805 0.020 . 2 . . . A 68 GLY HA3 . 19552 1 732 . 1 1 68 68 GLY CA C 13 46.214 0.400 . 1 . . . A 68 GLY CA . 19552 1 733 . 1 1 68 68 GLY N N 15 116.243 0.400 . 1 . . . A 68 GLY N . 19552 1 stop_ save_ save_Minor_Conformer _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Minor_Conformer _Assigned_chem_shift_list.Entry_ID 19552 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Default _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 'Tolerance value used in automated NOESY assignments.' _Assigned_chem_shift_list.Details 'Resonance for residues between 59 to 64 were degenerate. The weak intensity population is called Minor Conformer.' _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 '2D 1H-15N HSQC' . . . 19552 2 3 '3D HNCO' . . . 19552 2 4 '3D HN(CA)CO' . . . 19552 2 5 '3D HNCA' . . . 19552 2 6 '3D HNCACB' . . . 19552 2 7 '3D CBCA(CO)NH' . . . 19552 2 9 '3D HCCH-COSY' . . . 19552 2 10 '3D HCCH-TOCSY' . . . 19552 2 11 2D-hbCBcgcdHD . . . 19552 2 12 2D-hbCBcgcdceHE . . . 19552 2 14 '3D 1H-15N TOCSY' . . . 19552 2 16 '3D 1H-13C NOESYHSQC' . . . 19552 2 17 '3D 1H-15N NOESYHSQC' . . . 19552 2 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 59 59 GLY C C 13 173.881 0.400 . 1 . . . A 59 GLY C . 19552 2 2 . 1 1 60 60 GLU H H 1 8.358 0.020 . 1 . . . A 60 GLU H . 19552 2 3 . 1 1 60 60 GLU HA H 1 4.483 0.020 . 1 . . . A 60 GLU HA . 19552 2 4 . 1 1 60 60 GLU HB2 H 1 1.971 0.020 . 2 . . . A 60 GLU HB2 . 19552 2 5 . 1 1 60 60 GLU HB3 H 1 1.971 0.020 . 2 . . . A 60 GLU HB3 . 19552 2 6 . 1 1 60 60 GLU HG2 H 1 2.318 0.020 . 2 . . . A 60 GLU HG2 . 19552 2 7 . 1 1 60 60 GLU HG3 H 1 2.318 0.020 . 2 . . . A 60 GLU HG3 . 19552 2 8 . 1 1 60 60 GLU C C 13 175.469 0.400 . 1 . . . A 60 GLU C . 19552 2 9 . 1 1 60 60 GLU CA C 13 55.970 0.400 . 1 . . . A 60 GLU CA . 19552 2 10 . 1 1 60 60 GLU CB C 13 30.763 0.400 . 1 . . . A 60 GLU CB . 19552 2 11 . 1 1 60 60 GLU CG C 13 36.235 0.400 . 1 . . . A 60 GLU CG . 19552 2 12 . 1 1 60 60 GLU N N 15 120.386 0.400 . 1 . . . A 60 GLU N . 19552 2 13 . 1 1 61 61 TRP H H 1 8.491 0.020 . 1 . . . A 61 TRP H . 19552 2 14 . 1 1 61 61 TRP HA H 1 4.535 0.020 . 1 . . . A 61 TRP HA . 19552 2 15 . 1 1 61 61 TRP HB2 H 1 3.314 0.020 . 2 . . . A 61 TRP HB2 . 19552 2 16 . 1 1 61 61 TRP HB3 H 1 3.232 0.020 . 2 . . . A 61 TRP HB3 . 19552 2 17 . 1 1 61 61 TRP HD1 H 1 7.275 0.020 . 1 . . . A 61 TRP HD1 . 19552 2 18 . 1 1 61 61 TRP HE1 H 1 10.280 0.020 . 1 . . . A 61 TRP HE1 . 19552 2 19 . 1 1 61 61 TRP CA C 13 56.410 0.400 . 1 . . . A 61 TRP CA . 19552 2 20 . 1 1 61 61 TRP CB C 13 30.660 0.400 . 1 . . . A 61 TRP CB . 19552 2 21 . 1 1 61 61 TRP CD1 C 13 127.442 0.400 . 1 . . . A 61 TRP CD1 . 19552 2 22 . 1 1 61 61 TRP N N 15 124.078 0.400 . 1 . . . A 61 TRP N . 19552 2 23 . 1 1 61 61 TRP NE1 N 15 130.243 0.400 . 1 . . . A 61 TRP NE1 . 19552 2 24 . 1 1 62 62 PRO HA H 1 4.541 0.020 . 1 . . . A 62 PRO HA . 19552 2 25 . 1 1 62 62 PRO HB2 H 1 1.691 0.020 . 2 . . . A 62 PRO HB2 . 19552 2 26 . 1 1 62 62 PRO HB3 H 1 1.691 0.020 . 2 . . . A 62 PRO HB3 . 19552 2 27 . 1 1 62 62 PRO C C 13 175.601 0.400 . 1 . . . A 62 PRO C . 19552 2 28 . 1 1 62 62 PRO CA C 13 63.860 0.400 . 1 . . . A 62 PRO CA . 19552 2 29 . 1 1 62 62 PRO CB C 13 32.622 0.400 . 1 . . . A 62 PRO CB . 19552 2 30 . 1 1 63 63 ASN H H 1 8.515 0.020 . 1 . . . A 63 ASN H . 19552 2 31 . 1 1 63 63 ASN HA H 1 4.606 0.020 . 1 . . . A 63 ASN HA . 19552 2 32 . 1 1 63 63 ASN HB2 H 1 2.817 0.020 . 2 . . . A 63 ASN HB2 . 19552 2 33 . 1 1 63 63 ASN HB3 H 1 2.733 0.020 . 2 . . . A 63 ASN HB3 . 19552 2 34 . 1 1 63 63 ASN C C 13 174.435 0.400 . 1 . . . A 63 ASN C . 19552 2 35 . 1 1 63 63 ASN CA C 13 53.458 0.400 . 1 . . . A 63 ASN CA . 19552 2 36 . 1 1 63 63 ASN CB C 13 38.876 0.400 . 1 . . . A 63 ASN CB . 19552 2 37 . 1 1 63 63 ASN N N 15 121.997 0.400 . 1 . . . A 63 ASN N . 19552 2 38 . 1 1 64 64 LEU H H 1 8.151 0.020 . 1 . . . A 64 LEU H . 19552 2 39 . 1 1 64 64 LEU HA H 1 4.645 0.020 . 1 . . . A 64 LEU HA . 19552 2 40 . 1 1 64 64 LEU HB2 H 1 1.617 0.020 . 2 . . . A 64 LEU HB2 . 19552 2 41 . 1 1 64 64 LEU HB3 H 1 1.617 0.020 . 2 . . . A 64 LEU HB3 . 19552 2 42 . 1 1 64 64 LEU HD11 H 1 0.944 0.020 . 2 . . . A 64 LEU HD11 . 19552 2 43 . 1 1 64 64 LEU HD12 H 1 0.944 0.020 . 2 . . . A 64 LEU HD12 . 19552 2 44 . 1 1 64 64 LEU HD13 H 1 0.944 0.020 . 2 . . . A 64 LEU HD13 . 19552 2 45 . 1 1 64 64 LEU HD21 H 1 0.944 0.020 . 2 . . . A 64 LEU HD21 . 19552 2 46 . 1 1 64 64 LEU HD22 H 1 0.944 0.020 . 2 . . . A 64 LEU HD22 . 19552 2 47 . 1 1 64 64 LEU HD23 H 1 0.944 0.020 . 2 . . . A 64 LEU HD23 . 19552 2 48 . 1 1 64 64 LEU CA C 13 53.004 0.400 . 1 . . . A 64 LEU CA . 19552 2 49 . 1 1 64 64 LEU CB C 13 42.059 0.400 . 1 . . . A 64 LEU CB . 19552 2 50 . 1 1 64 64 LEU CD1 C 13 23.444 0.400 . 1 . . . A 64 LEU CD1 . 19552 2 51 . 1 1 64 64 LEU N N 15 123.227 0.400 . 1 . . . A 64 LEU N . 19552 2 stop_ save_