data_17027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17027 _Entry.Title ; NMR-derived spatial structure of water-soluble Lynx1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-30 _Entry.Accession_date 2010-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR-derived spatial structure of water-soluble Lynx1' _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 Konstantin Mineev . S. . 17027 2 Zakhar Shenkarev . O. . 17027 3 Alexander Arseniev . S. . 17027 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Shemyakin and Ovchinnikov Institute of bioorganic chemistry' . 17027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 40 17027 '15N chemical shifts' 79 17027 '1H chemical shifts' 458 17027 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-04-08 2010-06-30 update BMRB 'update entry citation' 17027 1 . . 2011-04-01 2010-06-30 original author 'original release' 17027 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17027 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21252236 _Citation.Full_citation . _Citation.Title 'NMR Structure and Action on Nicotinic Acetylcholine Receptors of Water-soluble Domain of Human LYNX1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 12 _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 10618 _Citation.Page_last 10627 _Citation.Year 2011 _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 Ekaterina Lyukmanova . N. . 17027 1 2 Zakhar Shenkarev . O. . 17027 1 3 Mikhail Shulepko . A. . 17027 1 4 Konstantin Mineev . S. . 17027 1 5 Dieter Kasheverov . . . 17027 1 6 Igor Filkin . E. . 17027 1 7 'Sergey Yu' Krivolapova . . . 17027 1 8 Alexandra Janickova . P. . 17027 1 9 Helena Dolezal . . . 17027 1 10 Vladimir Dolgikh . . . 17027 1 11 Dmitry Arseniev . A. . 17027 1 12 Alexander Bertrand . S. . 17027 1 13 Daniel Tsetlin . . . 17027 1 14 Victor Kirpichnikov . I. . 17027 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'acethylcholine receptor' 17027 1 Lynx1 17027 1 NMR 17027 1 'spatial structure' 17027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17027 _Assembly.ID 1 _Assembly.Name lynx1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8409.6 _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 Lynx1 1 $Lynx1 A . yes native yes no . . . 17027 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 4 4 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 17027 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 14 14 SG . . . . . . . . . . 17027 1 3 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 17027 1 4 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 17027 1 5 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 17027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lynx1 _Entity.Sf_category entity _Entity.Sf_framecode Lynx1 _Entity.Entry_ID 17027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lynx1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLDCHVCAYNGDNCFNPMRC PAMVAYCMTTRTYYTPTRMK VSKSCVPRCFETVYDGYSKH ASTTSCCQYDLCNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 2L03 . "Spatial Structure Of Water-Soluble Lynx1" . . . . . 100.00 74 100.00 100.00 5.90e-46 . . . . 17027 1 2 no GB AAK01642 . "Ly-6 neurotoxin-like protein Lynx1 [Homo sapiens]" . . . . . 81.08 80 100.00 100.00 3.75e-36 . . . . 17027 1 3 no GB AAR00319 . "Ly-6 neurotoxin-like protein 1 [Macaca mulatta]" . . . . . 98.65 118 97.26 97.26 5.93e-45 . . . . 17027 1 4 no GB AAV74279 . "Ly6/neurotoxin-1 [Saimiri boliviensis]" . . . . . 98.65 116 98.63 98.63 8.16e-46 . . . . 17027 1 5 no GB AAV74324 . "Ly6/neurotoxin-1 [Pan troglodytes]" . . . . . 98.65 116 100.00 100.00 8.42e-47 . . . . 17027 1 6 no GB EAW82301 . "hCG39311, isoform CRA_a [Homo sapiens]" . . . . . 98.65 116 100.00 100.00 9.39e-47 . . . . 17027 1 7 no REF NP_001012437 . "ly-6/neurotoxin-like protein 1 precursor [Pan troglodytes]" . . . . . 98.65 116 100.00 100.00 8.42e-47 . . . . 17027 1 8 no REF NP_001028116 . "ly-6/neurotoxin-like protein 1 precursor [Macaca mulatta]" . . . . . 98.65 118 97.26 97.26 5.93e-45 . . . . 17027 1 9 no REF NP_001266926 . "ly-6/neurotoxin-like protein 1-like precursor [Saimiri boliviensis]" . . . . . 98.65 116 98.63 98.63 8.16e-46 . . . . 17027 1 10 no REF NP_803252 . "ly-6/neurotoxin-like protein 1 isoform c precursor [Homo sapiens]" . . . . . 98.65 116 100.00 100.00 9.39e-47 . . . . 17027 1 11 no REF NP_803429 . "ly-6/neurotoxin-like protein 1 isoform c precursor [Homo sapiens]" . . . . . 98.65 116 100.00 100.00 9.39e-47 . . . . 17027 1 12 no SP Q5IS42 . "RecName: Full=Ly-6/neurotoxin-like protein 1; Flags: Precursor" . . . . . 98.65 116 100.00 100.00 8.42e-47 . . . . 17027 1 13 no SP Q5IS87 . "RecName: Full=Ly-6/neurotoxin-like protein 1; Flags: Precursor [Saimiri boliviensis boliviensis]" . . . . . 98.65 116 98.63 98.63 8.16e-46 . . . . 17027 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'modulation of the activity of nicotinic acetylcholine receptor' 17027 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17027 1 2 . LEU . 17027 1 3 . ASP . 17027 1 4 . CYS . 17027 1 5 . HIS . 17027 1 6 . VAL . 17027 1 7 . CYS . 17027 1 8 . ALA . 17027 1 9 . TYR . 17027 1 10 . ASN . 17027 1 11 . GLY . 17027 1 12 . ASP . 17027 1 13 . ASN . 17027 1 14 . CYS . 17027 1 15 . PHE . 17027 1 16 . ASN . 17027 1 17 . PRO . 17027 1 18 . MET . 17027 1 19 . ARG . 17027 1 20 . CYS . 17027 1 21 . PRO . 17027 1 22 . ALA . 17027 1 23 . MET . 17027 1 24 . VAL . 17027 1 25 . ALA . 17027 1 26 . TYR . 17027 1 27 . CYS . 17027 1 28 . MET . 17027 1 29 . THR . 17027 1 30 . THR . 17027 1 31 . ARG . 17027 1 32 . THR . 17027 1 33 . TYR . 17027 1 34 . TYR . 17027 1 35 . THR . 17027 1 36 . PRO . 17027 1 37 . THR . 17027 1 38 . ARG . 17027 1 39 . MET . 17027 1 40 . LYS . 17027 1 41 . VAL . 17027 1 42 . SER . 17027 1 43 . LYS . 17027 1 44 . SER . 17027 1 45 . CYS . 17027 1 46 . VAL . 17027 1 47 . PRO . 17027 1 48 . ARG . 17027 1 49 . CYS . 17027 1 50 . PHE . 17027 1 51 . GLU . 17027 1 52 . THR . 17027 1 53 . VAL . 17027 1 54 . TYR . 17027 1 55 . ASP . 17027 1 56 . GLY . 17027 1 57 . TYR . 17027 1 58 . SER . 17027 1 59 . LYS . 17027 1 60 . HIS . 17027 1 61 . ALA . 17027 1 62 . SER . 17027 1 63 . THR . 17027 1 64 . THR . 17027 1 65 . SER . 17027 1 66 . CYS . 17027 1 67 . CYS . 17027 1 68 . GLN . 17027 1 69 . TYR . 17027 1 70 . ASP . 17027 1 71 . LEU . 17027 1 72 . CYS . 17027 1 73 . ASN . 17027 1 74 . GLY . 17027 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17027 1 . LEU 2 2 17027 1 . ASP 3 3 17027 1 . CYS 4 4 17027 1 . HIS 5 5 17027 1 . VAL 6 6 17027 1 . CYS 7 7 17027 1 . ALA 8 8 17027 1 . TYR 9 9 17027 1 . ASN 10 10 17027 1 . GLY 11 11 17027 1 . ASP 12 12 17027 1 . ASN 13 13 17027 1 . CYS 14 14 17027 1 . PHE 15 15 17027 1 . ASN 16 16 17027 1 . PRO 17 17 17027 1 . MET 18 18 17027 1 . ARG 19 19 17027 1 . CYS 20 20 17027 1 . PRO 21 21 17027 1 . ALA 22 22 17027 1 . MET 23 23 17027 1 . VAL 24 24 17027 1 . ALA 25 25 17027 1 . TYR 26 26 17027 1 . CYS 27 27 17027 1 . MET 28 28 17027 1 . THR 29 29 17027 1 . THR 30 30 17027 1 . ARG 31 31 17027 1 . THR 32 32 17027 1 . TYR 33 33 17027 1 . TYR 34 34 17027 1 . THR 35 35 17027 1 . PRO 36 36 17027 1 . THR 37 37 17027 1 . ARG 38 38 17027 1 . MET 39 39 17027 1 . LYS 40 40 17027 1 . VAL 41 41 17027 1 . SER 42 42 17027 1 . LYS 43 43 17027 1 . SER 44 44 17027 1 . CYS 45 45 17027 1 . VAL 46 46 17027 1 . PRO 47 47 17027 1 . ARG 48 48 17027 1 . CYS 49 49 17027 1 . PHE 50 50 17027 1 . GLU 51 51 17027 1 . THR 52 52 17027 1 . VAL 53 53 17027 1 . TYR 54 54 17027 1 . ASP 55 55 17027 1 . GLY 56 56 17027 1 . TYR 57 57 17027 1 . SER 58 58 17027 1 . LYS 59 59 17027 1 . HIS 60 60 17027 1 . ALA 61 61 17027 1 . SER 62 62 17027 1 . THR 63 63 17027 1 . THR 64 64 17027 1 . SER 65 65 17027 1 . CYS 66 66 17027 1 . CYS 67 67 17027 1 . GLN 68 68 17027 1 . TYR 69 69 17027 1 . ASP 70 70 17027 1 . LEU 71 71 17027 1 . CYS 72 72 17027 1 . ASN 73 73 17027 1 . GLY 74 74 17027 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 17027 _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 $Lynx1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . LYNX1 . . . . 17027 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 17027 _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 $Lynx1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . PET-22b . . . . . . 17027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17027 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lynx1 '[U-99% 15N]' . . 1 $Lynx1 . . 0.5 . . mM . . . . 17027 1 2 'acetic acid' 'natural abundance' . . . . . . 20 . . mM . . . . 17027 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 17027 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17027 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17027 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17027 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lynx1 'natural abundance' . . 1 $Lynx1 . . 1.0 . . mM . . . . 17027 2 2 'acetic acid' 'natural abundance' . . . . . . 20 . . mM . . . . 17027 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 17027 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17027 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17027 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17027 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 21 . mM 17027 1 pH 5.3 0.1 pH 17027 1 pressure 1 . atm 17027 1 temperature 298 0.1 K 17027 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17027 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17027 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17027 1 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 17027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17027 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17027 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 17027 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 5 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 1 9 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17027 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 17027 _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 water protons . . . . ppm 4.80 internal indirect 0.251449530 . . . . . . . . . 17027 1 H 1 water protons . . . . ppm 4.80 internal direct 1.000000000 . . . . . . . . . 17027 1 N 15 water protons . . . . ppm 4.80 internal indirect 0.101329118 . . . . . . . . . 17027 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17027 1 2 '3D 1H-15N NOESY' . . . 17027 1 3 '3D 1H-15N TOCSY' . . . 17027 1 7 '2D 1H-1H TOCSY' . . . 17027 1 8 '2D 1H-1H NOESY' . . . 17027 1 9 '2D DQF-COSY' . . . 17027 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 MET HA H 1 4.117 0.020 . 1 . . . . 1 MET HA . 17027 1 2 . 1 1 1 1 MET HB2 H 1 2.075 0.020 . 2 . . . . 1 MET HB2 . 17027 1 3 . 1 1 1 1 MET HB3 H 1 2.126 0.020 . 2 . . . . 1 MET HB3 . 17027 1 4 . 1 1 1 1 MET HG2 H 1 2.603 0.020 . 2 . . . . 1 MET HG2 . 17027 1 5 . 1 1 1 1 MET HG3 H 1 2.603 0.020 . 2 . . . . 1 MET HG3 . 17027 1 6 . 1 1 2 2 LEU H H 1 8.604 0.020 . 1 . . . . 2 LEU H . 17027 1 7 . 1 1 2 2 LEU HA H 1 4.644 0.020 . 1 . . . . 2 LEU HA . 17027 1 8 . 1 1 2 2 LEU HB2 H 1 1.234 0.020 . 1 . . . . 2 LEU HB2 . 17027 1 9 . 1 1 2 2 LEU HB3 H 1 1.365 0.020 . 1 . . . . 2 LEU HB3 . 17027 1 10 . 1 1 2 2 LEU HD11 H 1 0.676 0.020 . 1 . . . . 2 LEU HD1 . 17027 1 11 . 1 1 2 2 LEU HD12 H 1 0.676 0.020 . 1 . . . . 2 LEU HD1 . 17027 1 12 . 1 1 2 2 LEU HD13 H 1 0.676 0.020 . 1 . . . . 2 LEU HD1 . 17027 1 13 . 1 1 2 2 LEU HD21 H 1 0.599 0.020 . 1 . . . . 2 LEU HD2 . 17027 1 14 . 1 1 2 2 LEU HD22 H 1 0.599 0.020 . 1 . . . . 2 LEU HD2 . 17027 1 15 . 1 1 2 2 LEU HD23 H 1 0.599 0.020 . 1 . . . . 2 LEU HD2 . 17027 1 16 . 1 1 2 2 LEU HG H 1 1.447 0.020 . 1 . . . . 2 LEU HG . 17027 1 17 . 1 1 2 2 LEU CB C 13 42.947 0.400 . 1 . . . . 2 LEU CB . 17027 1 18 . 1 1 2 2 LEU CD1 C 13 19.646 0.400 . 1 . . . . 2 LEU CD1 . 17027 1 19 . 1 1 2 2 LEU CD2 C 13 22.979 0.400 . 1 . . . . 2 LEU CD2 . 17027 1 20 . 1 1 2 2 LEU N N 15 127.066 0.400 . 1 . . . . 2 LEU N . 17027 1 21 . 1 1 3 3 ASP H H 1 8.257 0.020 . 1 . . . . 3 ASP H . 17027 1 22 . 1 1 3 3 ASP HA H 1 5.543 0.020 . 1 . . . . 3 ASP HA . 17027 1 23 . 1 1 3 3 ASP HB2 H 1 2.179 0.020 . 2 . . . . 3 ASP HB2 . 17027 1 24 . 1 1 3 3 ASP HB3 H 1 2.179 0.020 . 2 . . . . 3 ASP HB3 . 17027 1 25 . 1 1 3 3 ASP N N 15 123.885 0.400 . 1 . . . . 3 ASP N . 17027 1 26 . 1 1 4 4 CYS H H 1 8.762 0.020 . 1 . . . . 4 CYS H . 17027 1 27 . 1 1 4 4 CYS HA H 1 4.910 0.020 . 1 . . . . 4 CYS HA . 17027 1 28 . 1 1 4 4 CYS HB2 H 1 2.534 0.020 . 1 . . . . 4 CYS HB2 . 17027 1 29 . 1 1 4 4 CYS HB3 H 1 2.937 0.020 . 1 . . . . 4 CYS HB3 . 17027 1 30 . 1 1 4 4 CYS N N 15 117.757 0.400 . 1 . . . . 4 CYS N . 17027 1 31 . 1 1 5 5 HIS H H 1 9.153 0.020 . 1 . . . . 5 HIS H . 17027 1 32 . 1 1 5 5 HIS HA H 1 4.622 0.020 . 1 . . . . 5 HIS HA . 17027 1 33 . 1 1 5 5 HIS HB2 H 1 2.818 0.020 . 1 . . . . 5 HIS HB2 . 17027 1 34 . 1 1 5 5 HIS HB3 H 1 2.541 0.020 . 1 . . . . 5 HIS HB3 . 17027 1 35 . 1 1 5 5 HIS HD2 H 1 6.608 0.020 . 1 . . . . 5 HIS HD2 . 17027 1 36 . 1 1 5 5 HIS HE1 H 1 8.017 0.020 . 1 . . . . 5 HIS HE1 . 17027 1 37 . 1 1 5 5 HIS CB C 13 29.087 0.400 . 1 . . . . 5 HIS CB . 17027 1 38 . 1 1 5 5 HIS N N 15 120.923 0.400 . 1 . . . . 5 HIS N . 17027 1 39 . 1 1 6 6 VAL H H 1 8.245 0.020 . 1 . . . . 6 VAL H . 17027 1 40 . 1 1 6 6 VAL HA H 1 4.472 0.020 . 1 . . . . 6 VAL HA . 17027 1 41 . 1 1 6 6 VAL HB H 1 1.983 0.020 . 1 . . . . 6 VAL HB . 17027 1 42 . 1 1 6 6 VAL HG11 H 1 1.020 0.020 . 1 . . . . 6 VAL HG1 . 17027 1 43 . 1 1 6 6 VAL HG12 H 1 1.020 0.020 . 1 . . . . 6 VAL HG1 . 17027 1 44 . 1 1 6 6 VAL HG13 H 1 1.020 0.020 . 1 . . . . 6 VAL HG1 . 17027 1 45 . 1 1 6 6 VAL HG21 H 1 0.896 0.020 . 1 . . . . 6 VAL HG2 . 17027 1 46 . 1 1 6 6 VAL HG22 H 1 0.896 0.020 . 1 . . . . 6 VAL HG2 . 17027 1 47 . 1 1 6 6 VAL HG23 H 1 0.896 0.020 . 1 . . . . 6 VAL HG2 . 17027 1 48 . 1 1 6 6 VAL CG1 C 13 18.345 0.400 . 1 . . . . 6 VAL CG1 . 17027 1 49 . 1 1 6 6 VAL CG2 C 13 19.541 0.400 . 1 . . . . 6 VAL CG2 . 17027 1 50 . 1 1 6 6 VAL N N 15 122.825 0.400 . 1 . . . . 6 VAL N . 17027 1 51 . 1 1 7 7 CYS H H 1 8.349 0.020 . 1 . . . . 7 CYS H . 17027 1 52 . 1 1 7 7 CYS HA H 1 4.890 0.020 . 1 . . . . 7 CYS HA . 17027 1 53 . 1 1 7 7 CYS HB2 H 1 3.216 0.020 . 1 . . . . 7 CYS HB2 . 17027 1 54 . 1 1 7 7 CYS HB3 H 1 3.614 0.020 . 1 . . . . 7 CYS HB3 . 17027 1 55 . 1 1 7 7 CYS N N 15 121.406 0.400 . 1 . . . . 7 CYS N . 17027 1 56 . 1 1 8 8 ALA H H 1 8.559 0.020 . 1 . . . . 8 ALA H . 17027 1 57 . 1 1 8 8 ALA HA H 1 5.289 0.020 . 1 . . . . 8 ALA HA . 17027 1 58 . 1 1 8 8 ALA HB1 H 1 1.463 0.020 . 1 . . . . 8 ALA HB . 17027 1 59 . 1 1 8 8 ALA HB2 H 1 1.463 0.020 . 1 . . . . 8 ALA HB . 17027 1 60 . 1 1 8 8 ALA HB3 H 1 1.463 0.020 . 1 . . . . 8 ALA HB . 17027 1 61 . 1 1 8 8 ALA CB C 13 18.889 0.400 . 1 . . . . 8 ALA CB . 17027 1 62 . 1 1 8 8 ALA N N 15 121.675 0.400 . 1 . . . . 8 ALA N . 17027 1 63 . 1 1 9 9 TYR H H 1 8.805 0.020 . 1 . . . . 9 TYR H . 17027 1 64 . 1 1 9 9 TYR HA H 1 4.744 0.020 . 1 . . . . 9 TYR HA . 17027 1 65 . 1 1 9 9 TYR HB2 H 1 3.060 0.020 . 1 . . . . 9 TYR HB2 . 17027 1 66 . 1 1 9 9 TYR HB3 H 1 2.221 0.020 . 1 . . . . 9 TYR HB3 . 17027 1 67 . 1 1 9 9 TYR HD1 H 1 7.019 0.020 . 1 . . . . 9 TYR HD1 . 17027 1 68 . 1 1 9 9 TYR HD2 H 1 7.019 0.020 . 1 . . . . 9 TYR HD2 . 17027 1 69 . 1 1 9 9 TYR HE1 H 1 6.935 0.020 . 1 . . . . 9 TYR HE1 . 17027 1 70 . 1 1 9 9 TYR HE2 H 1 6.935 0.020 . 1 . . . . 9 TYR HE2 . 17027 1 71 . 1 1 9 9 TYR N N 15 121.609 0.400 . 1 . . . . 9 TYR N . 17027 1 72 . 1 1 10 10 ASN H H 1 7.852 0.020 . 1 . . . . 10 ASN H . 17027 1 73 . 1 1 10 10 ASN HA H 1 5.104 0.020 . 1 . . . . 10 ASN HA . 17027 1 74 . 1 1 10 10 ASN HB2 H 1 2.482 0.020 . 1 . . . . 10 ASN HB2 . 17027 1 75 . 1 1 10 10 ASN HB3 H 1 2.736 0.020 . 1 . . . . 10 ASN HB3 . 17027 1 76 . 1 1 10 10 ASN HD21 H 1 7.656 0.020 . 2 . . . . 10 ASN HD21 . 17027 1 77 . 1 1 10 10 ASN HD22 H 1 7.820 0.020 . 2 . . . . 10 ASN HD22 . 17027 1 78 . 1 1 10 10 ASN N N 15 128.652 0.400 . 1 . . . . 10 ASN N . 17027 1 79 . 1 1 10 10 ASN ND2 N 15 113.013 0.400 . 1 . . . . 10 ASN ND2 . 17027 1 80 . 1 1 11 11 GLY H H 1 7.814 0.020 . 1 . . . . 11 GLY H . 17027 1 81 . 1 1 11 11 GLY HA2 H 1 3.968 0.020 . 1 . . . . 11 GLY HA2 . 17027 1 82 . 1 1 11 11 GLY HA3 H 1 4.041 0.020 . 1 . . . . 11 GLY HA3 . 17027 1 83 . 1 1 11 11 GLY N N 15 112.066 0.400 . 1 . . . . 11 GLY N . 17027 1 84 . 1 1 12 12 ASP H H 1 8.240 0.020 . 1 . . . . 12 ASP H . 17027 1 85 . 1 1 12 12 ASP HA H 1 4.375 0.020 . 1 . . . . 12 ASP HA . 17027 1 86 . 1 1 12 12 ASP HB2 H 1 2.620 0.020 . 1 . . . . 12 ASP HB2 . 17027 1 87 . 1 1 12 12 ASP HB3 H 1 2.705 0.020 . 1 . . . . 12 ASP HB3 . 17027 1 88 . 1 1 12 12 ASP N N 15 114.806 0.400 . 1 . . . . 12 ASP N . 17027 1 89 . 1 1 13 13 ASN H H 1 7.872 0.020 . 1 . . . . 13 ASN H . 17027 1 90 . 1 1 13 13 ASN HA H 1 4.710 0.020 . 1 . . . . 13 ASN HA . 17027 1 91 . 1 1 13 13 ASN HB2 H 1 2.513 0.020 . 2 . . . . 13 ASN HB2 . 17027 1 92 . 1 1 13 13 ASN HB3 H 1 2.513 0.020 . 2 . . . . 13 ASN HB3 . 17027 1 93 . 1 1 13 13 ASN HD21 H 1 7.488 0.020 . 2 . . . . 13 ASN HD21 . 17027 1 94 . 1 1 13 13 ASN HD22 H 1 6.746 0.020 . 2 . . . . 13 ASN HD22 . 17027 1 95 . 1 1 13 13 ASN N N 15 114.775 0.400 . 1 . . . . 13 ASN N . 17027 1 96 . 1 1 13 13 ASN ND2 N 15 112.029 0.400 . 1 . . . . 13 ASN ND2 . 17027 1 97 . 1 1 14 14 CYS H H 1 7.498 0.020 . 1 . . . . 14 CYS H . 17027 1 98 . 1 1 14 14 CYS HA H 1 4.269 0.020 . 1 . . . . 14 CYS HA . 17027 1 99 . 1 1 14 14 CYS HB2 H 1 3.117 0.020 . 1 . . . . 14 CYS HB2 . 17027 1 100 . 1 1 14 14 CYS HB3 H 1 2.771 0.020 . 1 . . . . 14 CYS HB3 . 17027 1 101 . 1 1 14 14 CYS N N 15 111.590 0.400 . 1 . . . . 14 CYS N . 17027 1 102 . 1 1 15 15 PHE H H 1 8.637 0.020 . 1 . . . . 15 PHE H . 17027 1 103 . 1 1 15 15 PHE HA H 1 4.241 0.020 . 1 . . . . 15 PHE HA . 17027 1 104 . 1 1 15 15 PHE HB2 H 1 2.557 0.020 . 1 . . . . 15 PHE HB2 . 17027 1 105 . 1 1 15 15 PHE HB3 H 1 3.002 0.020 . 1 . . . . 15 PHE HB3 . 17027 1 106 . 1 1 15 15 PHE HD1 H 1 6.418 0.020 . 1 . . . . 15 PHE HD1 . 17027 1 107 . 1 1 15 15 PHE HD2 H 1 6.418 0.020 . 1 . . . . 15 PHE HD2 . 17027 1 108 . 1 1 15 15 PHE HE1 H 1 7.108 0.020 . 1 . . . . 15 PHE HE1 . 17027 1 109 . 1 1 15 15 PHE HE2 H 1 7.108 0.020 . 1 . . . . 15 PHE HE2 . 17027 1 110 . 1 1 15 15 PHE N N 15 120.451 0.400 . 1 . . . . 15 PHE N . 17027 1 111 . 1 1 16 16 ASN H H 1 11.122 0.020 . 1 . . . . 16 ASN H . 17027 1 112 . 1 1 16 16 ASN HA H 1 4.823 0.020 . 1 . . . . 16 ASN HA . 17027 1 113 . 1 1 16 16 ASN HB2 H 1 3.384 0.020 . 1 . . . . 16 ASN HB2 . 17027 1 114 . 1 1 16 16 ASN HB3 H 1 2.827 0.020 . 1 . . . . 16 ASN HB3 . 17027 1 115 . 1 1 16 16 ASN HD21 H 1 7.823 0.020 . 1 . . . . 16 ASN HD21 . 17027 1 116 . 1 1 16 16 ASN HD22 H 1 6.928 0.020 . 1 . . . . 16 ASN HD22 . 17027 1 117 . 1 1 16 16 ASN N N 15 120.052 0.400 . 1 . . . . 16 ASN N . 17027 1 118 . 1 1 16 16 ASN ND2 N 15 113.591 0.400 . 1 . . . . 16 ASN ND2 . 17027 1 119 . 1 1 17 17 PRO HA H 1 3.791 0.020 . 1 . . . . 17 PRO HA . 17027 1 120 . 1 1 17 17 PRO HB2 H 1 1.953 0.020 . 1 . . . . 17 PRO HB2 . 17027 1 121 . 1 1 17 17 PRO HB3 H 1 1.870 0.020 . 1 . . . . 17 PRO HB3 . 17027 1 122 . 1 1 17 17 PRO HD2 H 1 3.885 0.020 . 1 . . . . 17 PRO HD2 . 17027 1 123 . 1 1 17 17 PRO HD3 H 1 3.843 0.020 . 1 . . . . 17 PRO HD3 . 17027 1 124 . 1 1 17 17 PRO HG2 H 1 1.898 0.020 . 1 . . . . 17 PRO HG2 . 17027 1 125 . 1 1 17 17 PRO HG3 H 1 2.211 0.020 . 1 . . . . 17 PRO HG3 . 17027 1 126 . 1 1 18 18 MET H H 1 8.874 0.020 . 1 . . . . 18 MET H . 17027 1 127 . 1 1 18 18 MET HA H 1 4.568 0.020 . 1 . . . . 18 MET HA . 17027 1 128 . 1 1 18 18 MET HB2 H 1 1.909 0.020 . 1 . . . . 18 MET HB2 . 17027 1 129 . 1 1 18 18 MET HB3 H 1 2.053 0.020 . 1 . . . . 18 MET HB3 . 17027 1 130 . 1 1 18 18 MET HG2 H 1 2.538 0.020 . 2 . . . . 18 MET HG2 . 17027 1 131 . 1 1 18 18 MET HG3 H 1 2.538 0.020 . 2 . . . . 18 MET HG3 . 17027 1 132 . 1 1 18 18 MET CB C 13 29.618 0.400 . 1 . . . . 18 MET CB . 17027 1 133 . 1 1 18 18 MET CG C 13 30.313 0.400 . 1 . . . . 18 MET CG . 17027 1 134 . 1 1 18 18 MET N N 15 124.382 0.400 . 1 . . . . 18 MET N . 17027 1 135 . 1 1 19 19 ARG H H 1 8.129 0.020 . 1 . . . . 19 ARG H . 17027 1 136 . 1 1 19 19 ARG HA H 1 4.789 0.020 . 1 . . . . 19 ARG HA . 17027 1 137 . 1 1 19 19 ARG HB2 H 1 1.741 0.020 . 2 . . . . 19 ARG HB2 . 17027 1 138 . 1 1 19 19 ARG HB3 H 1 1.741 0.020 . 2 . . . . 19 ARG HB3 . 17027 1 139 . 1 1 19 19 ARG HD2 H 1 3.321 0.020 . 2 . . . . 19 ARG HD2 . 17027 1 140 . 1 1 19 19 ARG HD3 H 1 3.321 0.020 . 2 . . . . 19 ARG HD3 . 17027 1 141 . 1 1 19 19 ARG HE H 1 8.193 0.020 . 1 . . . . 19 ARG HE . 17027 1 142 . 1 1 19 19 ARG HG2 H 1 1.576 0.020 . 2 . . . . 19 ARG HG2 . 17027 1 143 . 1 1 19 19 ARG HG3 H 1 1.799 0.020 . 2 . . . . 19 ARG HG3 . 17027 1 144 . 1 1 19 19 ARG N N 15 122.784 0.400 . 1 . . . . 19 ARG N . 17027 1 145 . 1 1 19 19 ARG NE N 15 84.190 0.400 . 1 . . . . 19 ARG NE . 17027 1 146 . 1 1 20 20 CYS H H 1 9.289 0.020 . 1 . . . . 20 CYS H . 17027 1 147 . 1 1 20 20 CYS HA H 1 5.048 0.020 . 1 . . . . 20 CYS HA . 17027 1 148 . 1 1 20 20 CYS HB2 H 1 3.099 0.020 . 1 . . . . 20 CYS HB2 . 17027 1 149 . 1 1 20 20 CYS HB3 H 1 2.965 0.020 . 1 . . . . 20 CYS HB3 . 17027 1 150 . 1 1 20 20 CYS N N 15 127.333 0.400 . 1 . . . . 20 CYS N . 17027 1 151 . 1 1 21 21 PRO HA H 1 4.527 0.020 . 1 . . . . 21 PRO HA . 17027 1 152 . 1 1 21 21 PRO HB2 H 1 2.437 0.020 . 2 . . . . 21 PRO HB2 . 17027 1 153 . 1 1 21 21 PRO HB3 H 1 2.437 0.020 . 2 . . . . 21 PRO HB3 . 17027 1 154 . 1 1 21 21 PRO HD2 H 1 4.051 0.020 . 1 . . . . 21 PRO HD2 . 17027 1 155 . 1 1 21 21 PRO HD3 H 1 3.362 0.020 . 1 . . . . 21 PRO HD3 . 17027 1 156 . 1 1 21 21 PRO HG2 H 1 2.056 0.020 . 2 . . . . 21 PRO HG2 . 17027 1 157 . 1 1 21 21 PRO HG3 H 1 1.933 0.020 . 2 . . . . 21 PRO HG3 . 17027 1 158 . 1 1 22 22 ALA H H 1 8.280 0.020 . 1 . . . . 22 ALA H . 17027 1 159 . 1 1 22 22 ALA HA H 1 4.145 0.020 . 1 . . . . 22 ALA HA . 17027 1 160 . 1 1 22 22 ALA HB1 H 1 1.440 0.020 . 1 . . . . 22 ALA HB . 17027 1 161 . 1 1 22 22 ALA HB2 H 1 1.440 0.020 . 1 . . . . 22 ALA HB . 17027 1 162 . 1 1 22 22 ALA HB3 H 1 1.440 0.020 . 1 . . . . 22 ALA HB . 17027 1 163 . 1 1 22 22 ALA CB C 13 16.517 0.400 . 1 . . . . 22 ALA CB . 17027 1 164 . 1 1 22 22 ALA N N 15 121.684 0.400 . 1 . . . . 22 ALA N . 17027 1 165 . 1 1 23 23 MET H H 1 8.507 0.020 . 1 . . . . 23 MET H . 17027 1 166 . 1 1 23 23 MET HA H 1 4.230 0.020 . 1 . . . . 23 MET HA . 17027 1 167 . 1 1 23 23 MET HB2 H 1 2.232 0.020 . 1 . . . . 23 MET HB2 . 17027 1 168 . 1 1 23 23 MET HB3 H 1 2.299 0.020 . 1 . . . . 23 MET HB3 . 17027 1 169 . 1 1 23 23 MET HG2 H 1 2.615 0.020 . 2 . . . . 23 MET HG2 . 17027 1 170 . 1 1 23 23 MET HG3 H 1 2.489 0.020 . 2 . . . . 23 MET HG3 . 17027 1 171 . 1 1 23 23 MET N N 15 113.268 0.400 . 1 . . . . 23 MET N . 17027 1 172 . 1 1 24 24 VAL H H 1 7.471 0.020 . 1 . . . . 24 VAL H . 17027 1 173 . 1 1 24 24 VAL HA H 1 3.839 0.020 . 1 . . . . 24 VAL HA . 17027 1 174 . 1 1 24 24 VAL HB H 1 2.124 0.020 . 1 . . . . 24 VAL HB . 17027 1 175 . 1 1 24 24 VAL HG11 H 1 0.921 0.020 . 1 . . . . 24 VAL HG1 . 17027 1 176 . 1 1 24 24 VAL HG12 H 1 0.921 0.020 . 1 . . . . 24 VAL HG1 . 17027 1 177 . 1 1 24 24 VAL HG13 H 1 0.921 0.020 . 1 . . . . 24 VAL HG1 . 17027 1 178 . 1 1 24 24 VAL HG21 H 1 0.879 0.020 . 1 . . . . 24 VAL HG2 . 17027 1 179 . 1 1 24 24 VAL HG22 H 1 0.879 0.020 . 1 . . . . 24 VAL HG2 . 17027 1 180 . 1 1 24 24 VAL HG23 H 1 0.879 0.020 . 1 . . . . 24 VAL HG2 . 17027 1 181 . 1 1 24 24 VAL CG1 C 13 18.444 0.400 . 1 . . . . 24 VAL CG1 . 17027 1 182 . 1 1 24 24 VAL CG2 C 13 19.112 0.400 . 1 . . . . 24 VAL CG2 . 17027 1 183 . 1 1 24 24 VAL N N 15 118.726 0.400 . 1 . . . . 24 VAL N . 17027 1 184 . 1 1 25 25 ALA H H 1 7.934 0.020 . 1 . . . . 25 ALA H . 17027 1 185 . 1 1 25 25 ALA HA H 1 4.519 0.020 . 1 . . . . 25 ALA HA . 17027 1 186 . 1 1 25 25 ALA HB1 H 1 1.217 0.020 . 1 . . . . 25 ALA HB . 17027 1 187 . 1 1 25 25 ALA HB2 H 1 1.217 0.020 . 1 . . . . 25 ALA HB . 17027 1 188 . 1 1 25 25 ALA HB3 H 1 1.217 0.020 . 1 . . . . 25 ALA HB . 17027 1 189 . 1 1 25 25 ALA CB C 13 19.124 0.400 . 1 . . . . 25 ALA CB . 17027 1 190 . 1 1 25 25 ALA N N 15 126.081 0.400 . 1 . . . . 25 ALA N . 17027 1 191 . 1 1 26 26 TYR H H 1 8.464 0.020 . 1 . . . . 26 TYR H . 17027 1 192 . 1 1 26 26 TYR HA H 1 5.016 0.020 . 1 . . . . 26 TYR HA . 17027 1 193 . 1 1 26 26 TYR HB2 H 1 2.823 0.020 . 2 . . . . 26 TYR HB2 . 17027 1 194 . 1 1 26 26 TYR HB3 H 1 2.823 0.020 . 2 . . . . 26 TYR HB3 . 17027 1 195 . 1 1 26 26 TYR HD1 H 1 6.793 0.020 . 1 . . . . 26 TYR HD1 . 17027 1 196 . 1 1 26 26 TYR HD2 H 1 6.793 0.020 . 1 . . . . 26 TYR HD2 . 17027 1 197 . 1 1 26 26 TYR HE1 H 1 7.098 0.020 . 1 . . . . 26 TYR HE1 . 17027 1 198 . 1 1 26 26 TYR HE2 H 1 7.098 0.020 . 1 . . . . 26 TYR HE2 . 17027 1 199 . 1 1 26 26 TYR N N 15 115.274 0.400 . 1 . . . . 26 TYR N . 17027 1 200 . 1 1 27 27 CYS H H 1 9.012 0.020 . 1 . . . . 27 CYS H . 17027 1 201 . 1 1 27 27 CYS HA H 1 5.663 0.020 . 1 . . . . 27 CYS HA . 17027 1 202 . 1 1 27 27 CYS HB2 H 1 2.973 0.020 . 1 . . . . 27 CYS HB2 . 17027 1 203 . 1 1 27 27 CYS HB3 H 1 3.091 0.020 . 1 . . . . 27 CYS HB3 . 17027 1 204 . 1 1 27 27 CYS N N 15 116.055 0.400 . 1 . . . . 27 CYS N . 17027 1 205 . 1 1 28 28 MET H H 1 9.265 0.020 . 1 . . . . 28 MET H . 17027 1 206 . 1 1 28 28 MET HA H 1 5.557 0.020 . 1 . . . . 28 MET HA . 17027 1 207 . 1 1 28 28 MET HB2 H 1 1.861 0.020 . 1 . . . . 28 MET HB2 . 17027 1 208 . 1 1 28 28 MET HB3 H 1 2.191 0.020 . 1 . . . . 28 MET HB3 . 17027 1 209 . 1 1 28 28 MET HG2 H 1 2.634 0.020 . 1 . . . . 28 MET HG2 . 17027 1 210 . 1 1 28 28 MET HG3 H 1 2.404 0.020 . 1 . . . . 28 MET HG3 . 17027 1 211 . 1 1 28 28 MET N N 15 123.975 0.400 . 1 . . . . 28 MET N . 17027 1 212 . 1 1 29 29 THR H H 1 8.569 0.020 . 1 . . . . 29 THR H . 17027 1 213 . 1 1 29 29 THR HA H 1 5.119 0.020 . 1 . . . . 29 THR HA . 17027 1 214 . 1 1 29 29 THR HB H 1 3.975 0.020 . 1 . . . . 29 THR HB . 17027 1 215 . 1 1 29 29 THR HG21 H 1 1.087 0.020 . 1 . . . . 29 THR HG2 . 17027 1 216 . 1 1 29 29 THR HG22 H 1 1.087 0.020 . 1 . . . . 29 THR HG2 . 17027 1 217 . 1 1 29 29 THR HG23 H 1 1.087 0.020 . 1 . . . . 29 THR HG2 . 17027 1 218 . 1 1 29 29 THR CG2 C 13 20.492 0.400 . 1 . . . . 29 THR CG2 . 17027 1 219 . 1 1 29 29 THR N N 15 122.585 0.400 . 1 . . . . 29 THR N . 17027 1 220 . 1 1 30 30 THR H H 1 9.748 0.020 . 1 . . . . 30 THR H . 17027 1 221 . 1 1 30 30 THR HA H 1 5.518 0.020 . 1 . . . . 30 THR HA . 17027 1 222 . 1 1 30 30 THR HB H 1 3.983 0.020 . 1 . . . . 30 THR HB . 17027 1 223 . 1 1 30 30 THR HG21 H 1 1.181 0.020 . 1 . . . . 30 THR HG2 . 17027 1 224 . 1 1 30 30 THR HG22 H 1 1.181 0.020 . 1 . . . . 30 THR HG2 . 17027 1 225 . 1 1 30 30 THR HG23 H 1 1.181 0.020 . 1 . . . . 30 THR HG2 . 17027 1 226 . 1 1 30 30 THR CG2 C 13 18.823 0.400 . 1 . . . . 30 THR CG2 . 17027 1 227 . 1 1 30 30 THR N N 15 124.847 0.400 . 1 . . . . 30 THR N . 17027 1 228 . 1 1 31 31 ARG H H 1 8.977 0.020 . 1 . . . . 31 ARG H . 17027 1 229 . 1 1 31 31 ARG HA H 1 5.164 0.020 . 1 . . . . 31 ARG HA . 17027 1 230 . 1 1 31 31 ARG HB2 H 1 1.442 0.020 . 1 . . . . 31 ARG HB2 . 17027 1 231 . 1 1 31 31 ARG HB3 H 1 1.690 0.020 . 1 . . . . 31 ARG HB3 . 17027 1 232 . 1 1 31 31 ARG HD2 H 1 3.156 0.020 . 2 . . . . 31 ARG HD2 . 17027 1 233 . 1 1 31 31 ARG HD3 H 1 3.244 0.020 . 2 . . . . 31 ARG HD3 . 17027 1 234 . 1 1 31 31 ARG HE H 1 7.399 0.020 . 1 . . . . 31 ARG HE . 17027 1 235 . 1 1 31 31 ARG HG2 H 1 1.605 0.020 . 2 . . . . 31 ARG HG2 . 17027 1 236 . 1 1 31 31 ARG HG3 H 1 1.297 0.020 . 2 . . . . 31 ARG HG3 . 17027 1 237 . 1 1 31 31 ARG N N 15 127.968 0.400 . 1 . . . . 31 ARG N . 17027 1 238 . 1 1 31 31 ARG NE N 15 85.312 0.400 . 1 . . . . 31 ARG NE . 17027 1 239 . 1 1 32 32 THR H H 1 8.678 0.020 . 1 . . . . 32 THR H . 17027 1 240 . 1 1 32 32 THR HA H 1 4.702 0.020 . 1 . . . . 32 THR HA . 17027 1 241 . 1 1 32 32 THR HB H 1 3.660 0.020 . 1 . . . . 32 THR HB . 17027 1 242 . 1 1 32 32 THR HG21 H 1 0.835 0.020 . 1 . . . . 32 THR HG2 . 17027 1 243 . 1 1 32 32 THR HG22 H 1 0.835 0.020 . 1 . . . . 32 THR HG2 . 17027 1 244 . 1 1 32 32 THR HG23 H 1 0.835 0.020 . 1 . . . . 32 THR HG2 . 17027 1 245 . 1 1 32 32 THR CG2 C 13 18.491 0.400 . 1 . . . . 32 THR CG2 . 17027 1 246 . 1 1 32 32 THR N N 15 119.648 0.400 . 1 . . . . 32 THR N . 17027 1 247 . 1 1 33 33 TYR H H 1 8.785 0.020 . 1 . . . . 33 TYR H . 17027 1 248 . 1 1 33 33 TYR HA H 1 4.530 0.020 . 1 . . . . 33 TYR HA . 17027 1 249 . 1 1 33 33 TYR HB2 H 1 2.949 0.020 . 1 . . . . 33 TYR HB2 . 17027 1 250 . 1 1 33 33 TYR HB3 H 1 2.734 0.020 . 1 . . . . 33 TYR HB3 . 17027 1 251 . 1 1 33 33 TYR HD1 H 1 7.062 0.020 . 1 . . . . 33 TYR HD1 . 17027 1 252 . 1 1 33 33 TYR HD2 H 1 7.062 0.020 . 1 . . . . 33 TYR HD2 . 17027 1 253 . 1 1 33 33 TYR HE1 H 1 6.765 0.020 . 1 . . . . 33 TYR HE1 . 17027 1 254 . 1 1 33 33 TYR HE2 H 1 6.765 0.020 . 1 . . . . 33 TYR HE2 . 17027 1 255 . 1 1 33 33 TYR N N 15 126.214 0.400 . 1 . . . . 33 TYR N . 17027 1 256 . 1 1 34 34 TYR H H 1 8.533 0.020 . 1 . . . . 34 TYR H . 17027 1 257 . 1 1 34 34 TYR HA H 1 4.568 0.020 . 1 . . . . 34 TYR HA . 17027 1 258 . 1 1 34 34 TYR HB2 H 1 2.930 0.020 . 1 . . . . 34 TYR HB2 . 17027 1 259 . 1 1 34 34 TYR HB3 H 1 3.046 0.020 . 1 . . . . 34 TYR HB3 . 17027 1 260 . 1 1 34 34 TYR HD1 H 1 6.901 0.020 . 1 . . . . 34 TYR HD1 . 17027 1 261 . 1 1 34 34 TYR HD2 H 1 6.901 0.020 . 1 . . . . 34 TYR HD2 . 17027 1 262 . 1 1 34 34 TYR HE1 H 1 6.602 0.020 . 1 . . . . 34 TYR HE1 . 17027 1 263 . 1 1 34 34 TYR HE2 H 1 6.602 0.020 . 1 . . . . 34 TYR HE2 . 17027 1 264 . 1 1 34 34 TYR N N 15 123.860 0.400 . 1 . . . . 34 TYR N . 17027 1 265 . 1 1 35 35 THR H H 1 8.478 0.020 . 1 . . . . 35 THR H . 17027 1 266 . 1 1 35 35 THR HA H 1 4.744 0.020 . 1 . . . . 35 THR HA . 17027 1 267 . 1 1 35 35 THR HB H 1 4.790 0.020 . 1 . . . . 35 THR HB . 17027 1 268 . 1 1 35 35 THR HG21 H 1 1.159 0.020 . 1 . . . . 35 THR HG2 . 17027 1 269 . 1 1 35 35 THR HG22 H 1 1.159 0.020 . 1 . . . . 35 THR HG2 . 17027 1 270 . 1 1 35 35 THR HG23 H 1 1.159 0.020 . 1 . . . . 35 THR HG2 . 17027 1 271 . 1 1 35 35 THR CG2 C 13 19.578 0.400 . 1 . . . . 35 THR CG2 . 17027 1 272 . 1 1 35 35 THR N N 15 112.597 0.400 . 1 . . . . 35 THR N . 17027 1 273 . 1 1 36 36 PRO HA H 1 4.740 0.020 . 1 . . . . 36 PRO HA . 17027 1 274 . 1 1 36 36 PRO HB3 H 1 2.447 0.020 . 2 . . . . 36 PRO HB3 . 17027 1 275 . 1 1 36 36 PRO HD2 H 1 3.833 0.020 . 2 . . . . 36 PRO HD2 . 17027 1 276 . 1 1 36 36 PRO HD3 H 1 3.833 0.020 . 2 . . . . 36 PRO HD3 . 17027 1 277 . 1 1 37 37 THR H H 1 7.621 0.020 . 1 . . . . 37 THR H . 17027 1 278 . 1 1 37 37 THR HA H 1 4.558 0.020 . 1 . . . . 37 THR HA . 17027 1 279 . 1 1 37 37 THR HB H 1 4.473 0.020 . 1 . . . . 37 THR HB . 17027 1 280 . 1 1 37 37 THR HG21 H 1 1.133 0.020 . 1 . . . . 37 THR HG2 . 17027 1 281 . 1 1 37 37 THR HG22 H 1 1.133 0.020 . 1 . . . . 37 THR HG2 . 17027 1 282 . 1 1 37 37 THR HG23 H 1 1.133 0.020 . 1 . . . . 37 THR HG2 . 17027 1 283 . 1 1 37 37 THR CG2 C 13 19.141 0.400 . 1 . . . . 37 THR CG2 . 17027 1 284 . 1 1 37 37 THR N N 15 101.553 0.400 . 1 . . . . 37 THR N . 17027 1 285 . 1 1 38 38 ARG H H 1 7.657 0.020 . 1 . . . . 38 ARG H . 17027 1 286 . 1 1 38 38 ARG HA H 1 4.687 0.020 . 1 . . . . 38 ARG HA . 17027 1 287 . 1 1 38 38 ARG HB2 H 1 1.554 0.020 . 1 . . . . 38 ARG HB2 . 17027 1 288 . 1 1 38 38 ARG HB3 H 1 1.804 0.020 . 1 . . . . 38 ARG HB3 . 17027 1 289 . 1 1 38 38 ARG HD2 H 1 3.178 0.020 . 2 . . . . 38 ARG HD2 . 17027 1 290 . 1 1 38 38 ARG HD3 H 1 3.087 0.020 . 2 . . . . 38 ARG HD3 . 17027 1 291 . 1 1 38 38 ARG HE H 1 7.046 0.020 . 1 . . . . 38 ARG HE . 17027 1 292 . 1 1 38 38 ARG HG2 H 1 1.578 0.020 . 2 . . . . 38 ARG HG2 . 17027 1 293 . 1 1 38 38 ARG HG3 H 1 1.432 0.020 . 2 . . . . 38 ARG HG3 . 17027 1 294 . 1 1 38 38 ARG CB C 13 29.676 0.400 . 1 . . . . 38 ARG CB . 17027 1 295 . 1 1 38 38 ARG CD C 13 40.977 0.400 . 1 . . . . 38 ARG CD . 17027 1 296 . 1 1 38 38 ARG CG C 13 24.785 0.400 . 1 . . . . 38 ARG CG . 17027 1 297 . 1 1 38 38 ARG N N 15 124.634 0.400 . 1 . . . . 38 ARG N . 17027 1 298 . 1 1 38 38 ARG NE N 15 84.325 0.400 . 1 . . . . 38 ARG NE . 17027 1 299 . 1 1 39 39 MET H H 1 8.469 0.020 . 1 . . . . 39 MET H . 17027 1 300 . 1 1 39 39 MET HA H 1 5.219 0.020 . 1 . . . . 39 MET HA . 17027 1 301 . 1 1 39 39 MET HB2 H 1 1.563 0.020 . 1 . . . . 39 MET HB2 . 17027 1 302 . 1 1 39 39 MET HB3 H 1 1.622 0.020 . 1 . . . . 39 MET HB3 . 17027 1 303 . 1 1 39 39 MET HG2 H 1 2.053 0.020 . 2 . . . . 39 MET HG2 . 17027 1 304 . 1 1 39 39 MET HG3 H 1 1.913 0.020 . 2 . . . . 39 MET HG3 . 17027 1 305 . 1 1 39 39 MET N N 15 123.421 0.400 . 1 . . . . 39 MET N . 17027 1 306 . 1 1 40 40 LYS H H 1 8.641 0.020 . 1 . . . . 40 LYS H . 17027 1 307 . 1 1 40 40 LYS HA H 1 5.166 0.020 . 1 . . . . 40 LYS HA . 17027 1 308 . 1 1 40 40 LYS HB2 H 1 1.809 0.020 . 1 . . . . 40 LYS HB2 . 17027 1 309 . 1 1 40 40 LYS HB3 H 1 1.909 0.020 . 1 . . . . 40 LYS HB3 . 17027 1 310 . 1 1 40 40 LYS HE2 H 1 2.762 0.020 . 2 . . . . 40 LYS HE2 . 17027 1 311 . 1 1 40 40 LYS HE3 H 1 2.762 0.020 . 2 . . . . 40 LYS HE3 . 17027 1 312 . 1 1 40 40 LYS HG2 H 1 1.586 0.020 . 1 . . . . 40 LYS HG2 . 17027 1 313 . 1 1 40 40 LYS HG3 H 1 1.343 0.020 . 1 . . . . 40 LYS HG3 . 17027 1 314 . 1 1 40 40 LYS CB C 13 27.655 0.400 . 1 . . . . 40 LYS CB . 17027 1 315 . 1 1 40 40 LYS CG C 13 23.635 0.400 . 1 . . . . 40 LYS CG . 17027 1 316 . 1 1 40 40 LYS N N 15 118.014 0.400 . 1 . . . . 40 LYS N . 17027 1 317 . 1 1 41 41 VAL H H 1 9.025 0.020 . 1 . . . . 41 VAL H . 17027 1 318 . 1 1 41 41 VAL HA H 1 5.391 0.020 . 1 . . . . 41 VAL HA . 17027 1 319 . 1 1 41 41 VAL HB H 1 2.003 0.020 . 1 . . . . 41 VAL HB . 17027 1 320 . 1 1 41 41 VAL HG11 H 1 0.760 0.020 . 1 . . . . 41 VAL HG1 . 17027 1 321 . 1 1 41 41 VAL HG12 H 1 0.760 0.020 . 1 . . . . 41 VAL HG1 . 17027 1 322 . 1 1 41 41 VAL HG13 H 1 0.760 0.020 . 1 . . . . 41 VAL HG1 . 17027 1 323 . 1 1 41 41 VAL HG21 H 1 0.878 0.020 . 1 . . . . 41 VAL HG2 . 17027 1 324 . 1 1 41 41 VAL HG22 H 1 0.878 0.020 . 1 . . . . 41 VAL HG2 . 17027 1 325 . 1 1 41 41 VAL HG23 H 1 0.878 0.020 . 1 . . . . 41 VAL HG2 . 17027 1 326 . 1 1 41 41 VAL CG1 C 13 17.686 0.400 . 1 . . . . 41 VAL CG1 . 17027 1 327 . 1 1 41 41 VAL CG2 C 13 20.492 0.400 . 1 . . . . 41 VAL CG2 . 17027 1 328 . 1 1 41 41 VAL N N 15 122.933 0.400 . 1 . . . . 41 VAL N . 17027 1 329 . 1 1 42 42 SER H H 1 8.872 0.020 . 1 . . . . 42 SER H . 17027 1 330 . 1 1 42 42 SER HA H 1 5.214 0.020 . 1 . . . . 42 SER HA . 17027 1 331 . 1 1 42 42 SER HB2 H 1 3.770 0.020 . 2 . . . . 42 SER HB2 . 17027 1 332 . 1 1 42 42 SER HB3 H 1 3.719 0.020 . 2 . . . . 42 SER HB3 . 17027 1 333 . 1 1 42 42 SER N N 15 120.798 0.400 . 1 . . . . 42 SER N . 17027 1 334 . 1 1 43 43 LYS H H 1 9.787 0.020 . 1 . . . . 43 LYS H . 17027 1 335 . 1 1 43 43 LYS HA H 1 5.697 0.020 . 1 . . . . 43 LYS HA . 17027 1 336 . 1 1 43 43 LYS HB2 H 1 1.962 0.020 . 2 . . . . 43 LYS HB2 . 17027 1 337 . 1 1 43 43 LYS HB3 H 1 1.962 0.020 . 2 . . . . 43 LYS HB3 . 17027 1 338 . 1 1 43 43 LYS HD2 H 1 1.452 0.020 . 2 . . . . 43 LYS HD2 . 17027 1 339 . 1 1 43 43 LYS HD3 H 1 1.452 0.020 . 2 . . . . 43 LYS HD3 . 17027 1 340 . 1 1 43 43 LYS HE2 H 1 2.800 0.020 . 2 . . . . 43 LYS HE2 . 17027 1 341 . 1 1 43 43 LYS HG2 H 1 1.801 0.020 . 2 . . . . 43 LYS HG2 . 17027 1 342 . 1 1 43 43 LYS HG3 H 1 1.292 0.020 . 2 . . . . 43 LYS HG3 . 17027 1 343 . 1 1 43 43 LYS HZ1 H 1 7.153 0.020 . 1 . . . . 43 LYS HZ1 . 17027 1 344 . 1 1 43 43 LYS HZ2 H 1 7.153 0.020 . 1 . . . . 43 LYS HZ2 . 17027 1 345 . 1 1 43 43 LYS HZ3 H 1 7.153 0.020 . 1 . . . . 43 LYS HZ3 . 17027 1 346 . 1 1 43 43 LYS CG C 13 23.723 0.400 . 1 . . . . 43 LYS CG . 17027 1 347 . 1 1 43 43 LYS N N 15 128.504 0.400 . 1 . . . . 43 LYS N . 17027 1 348 . 1 1 43 43 LYS NZ N 15 84.658 0.400 . 1 . . . . 43 LYS NZ . 17027 1 349 . 1 1 44 44 SER H H 1 8.711 0.020 . 1 . . . . 44 SER H . 17027 1 350 . 1 1 44 44 SER HA H 1 4.943 0.020 . 1 . . . . 44 SER HA . 17027 1 351 . 1 1 44 44 SER HB2 H 1 3.885 0.020 . 1 . . . . 44 SER HB2 . 17027 1 352 . 1 1 44 44 SER HB3 H 1 3.854 0.020 . 1 . . . . 44 SER HB3 . 17027 1 353 . 1 1 44 44 SER N N 15 114.457 0.400 . 1 . . . . 44 SER N . 17027 1 354 . 1 1 45 45 CYS H H 1 8.487 0.020 . 1 . . . . 45 CYS H . 17027 1 355 . 1 1 45 45 CYS HA H 1 5.503 0.020 . 1 . . . . 45 CYS HA . 17027 1 356 . 1 1 45 45 CYS HB2 H 1 3.492 0.020 . 1 . . . . 45 CYS HB2 . 17027 1 357 . 1 1 45 45 CYS HB3 H 1 2.923 0.020 . 1 . . . . 45 CYS HB3 . 17027 1 358 . 1 1 45 45 CYS N N 15 118.693 0.400 . 1 . . . . 45 CYS N . 17027 1 359 . 1 1 46 46 VAL H H 1 9.163 0.020 . 1 . . . . 46 VAL H . 17027 1 360 . 1 1 46 46 VAL HA H 1 5.188 0.020 . 1 . . . . 46 VAL HA . 17027 1 361 . 1 1 46 46 VAL HB H 1 2.319 0.020 . 1 . . . . 46 VAL HB . 17027 1 362 . 1 1 46 46 VAL HG11 H 1 1.006 0.020 . 1 . . . . 46 VAL HG1 . 17027 1 363 . 1 1 46 46 VAL HG12 H 1 1.006 0.020 . 1 . . . . 46 VAL HG1 . 17027 1 364 . 1 1 46 46 VAL HG13 H 1 1.006 0.020 . 1 . . . . 46 VAL HG1 . 17027 1 365 . 1 1 46 46 VAL HG21 H 1 0.784 0.020 . 1 . . . . 46 VAL HG2 . 17027 1 366 . 1 1 46 46 VAL HG22 H 1 0.784 0.020 . 1 . . . . 46 VAL HG2 . 17027 1 367 . 1 1 46 46 VAL HG23 H 1 0.784 0.020 . 1 . . . . 46 VAL HG2 . 17027 1 368 . 1 1 46 46 VAL CG1 C 13 21.052 0.400 . 1 . . . . 46 VAL CG1 . 17027 1 369 . 1 1 46 46 VAL CG2 C 13 22.448 0.400 . 1 . . . . 46 VAL CG2 . 17027 1 370 . 1 1 46 46 VAL N N 15 116.703 0.400 . 1 . . . . 46 VAL N . 17027 1 371 . 1 1 47 47 PRO HA H 1 4.740 0.020 . 1 . . . . 47 PRO HA . 17027 1 372 . 1 1 47 47 PRO HB2 H 1 2.155 0.020 . 2 . . . . 47 PRO HB2 . 17027 1 373 . 1 1 47 47 PRO HB3 H 1 2.155 0.020 . 2 . . . . 47 PRO HB3 . 17027 1 374 . 1 1 47 47 PRO HD2 H 1 4.050 0.020 . 1 . . . . 47 PRO HD2 . 17027 1 375 . 1 1 47 47 PRO HD3 H 1 3.825 0.020 . 1 . . . . 47 PRO HD3 . 17027 1 376 . 1 1 48 48 ARG H H 1 7.031 0.020 . 1 . . . . 48 ARG H . 17027 1 377 . 1 1 48 48 ARG HA H 1 4.275 0.020 . 1 . . . . 48 ARG HA . 17027 1 378 . 1 1 48 48 ARG HB2 H 1 1.602 0.020 . 1 . . . . 48 ARG HB2 . 17027 1 379 . 1 1 48 48 ARG HB3 H 1 1.634 0.020 . 1 . . . . 48 ARG HB3 . 17027 1 380 . 1 1 48 48 ARG HD2 H 1 3.226 0.020 . 2 . . . . 48 ARG HD2 . 17027 1 381 . 1 1 48 48 ARG HD3 H 1 3.226 0.020 . 2 . . . . 48 ARG HD3 . 17027 1 382 . 1 1 48 48 ARG HE H 1 7.275 0.020 . 1 . . . . 48 ARG HE . 17027 1 383 . 1 1 48 48 ARG HG2 H 1 1.606 0.020 . 2 . . . . 48 ARG HG2 . 17027 1 384 . 1 1 48 48 ARG HG3 H 1 1.479 0.020 . 2 . . . . 48 ARG HG3 . 17027 1 385 . 1 1 48 48 ARG N N 15 114.572 0.400 . 1 . . . . 48 ARG N . 17027 1 386 . 1 1 48 48 ARG NE N 15 84.190 0.400 . 1 . . . . 48 ARG NE . 17027 1 387 . 1 1 49 49 CYS H H 1 7.214 0.020 . 1 . . . . 49 CYS H . 17027 1 388 . 1 1 49 49 CYS HA H 1 4.228 0.020 . 1 . . . . 49 CYS HA . 17027 1 389 . 1 1 49 49 CYS HB2 H 1 1.974 0.020 . 2 . . . . 49 CYS HB2 . 17027 1 390 . 1 1 49 49 CYS HB3 H 1 1.974 0.020 . 2 . . . . 49 CYS HB3 . 17027 1 391 . 1 1 49 49 CYS N N 15 122.607 0.400 . 1 . . . . 49 CYS N . 17027 1 392 . 1 1 50 50 PHE H H 1 8.294 0.020 . 1 . . . . 50 PHE H . 17027 1 393 . 1 1 50 50 PHE HA H 1 4.623 0.020 . 1 . . . . 50 PHE HA . 17027 1 394 . 1 1 50 50 PHE HB2 H 1 3.051 0.020 . 2 . . . . 50 PHE HB2 . 17027 1 395 . 1 1 50 50 PHE HB3 H 1 2.786 0.020 . 2 . . . . 50 PHE HB3 . 17027 1 396 . 1 1 50 50 PHE HD1 H 1 7.173 0.020 . 1 . . . . 50 PHE HD1 . 17027 1 397 . 1 1 50 50 PHE HD2 H 1 7.173 0.020 . 1 . . . . 50 PHE HD2 . 17027 1 398 . 1 1 50 50 PHE HE1 H 1 7.261 0.020 . 1 . . . . 50 PHE HE1 . 17027 1 399 . 1 1 50 50 PHE HE2 H 1 7.261 0.020 . 1 . . . . 50 PHE HE2 . 17027 1 400 . 1 1 50 50 PHE N N 15 127.910 0.400 . 1 . . . . 50 PHE N . 17027 1 401 . 1 1 51 51 GLU H H 1 8.626 0.020 . 1 . . . . 51 GLU H . 17027 1 402 . 1 1 51 51 GLU HA H 1 4.190 0.020 . 1 . . . . 51 GLU HA . 17027 1 403 . 1 1 51 51 GLU HB2 H 1 2.018 0.020 . 2 . . . . 51 GLU HB2 . 17027 1 404 . 1 1 51 51 GLU HB3 H 1 2.018 0.020 . 2 . . . . 51 GLU HB3 . 17027 1 405 . 1 1 51 51 GLU HG2 H 1 2.373 0.020 . 2 . . . . 51 GLU HG2 . 17027 1 406 . 1 1 51 51 GLU HG3 H 1 2.182 0.020 . 2 . . . . 51 GLU HG3 . 17027 1 407 . 1 1 51 51 GLU CB C 13 26.629 0.400 . 1 . . . . 51 GLU CB . 17027 1 408 . 1 1 51 51 GLU CG C 13 31.263 0.400 . 1 . . . . 51 GLU CG . 17027 1 409 . 1 1 51 51 GLU N N 15 124.336 0.400 . 1 . . . . 51 GLU N . 17027 1 410 . 1 1 52 52 THR H H 1 8.385 0.020 . 1 . . . . 52 THR H . 17027 1 411 . 1 1 52 52 THR HA H 1 4.426 0.020 . 1 . . . . 52 THR HA . 17027 1 412 . 1 1 52 52 THR HB H 1 4.120 0.020 . 1 . . . . 52 THR HB . 17027 1 413 . 1 1 52 52 THR HG21 H 1 1.131 0.020 . 1 . . . . 52 THR HG2 . 17027 1 414 . 1 1 52 52 THR HG22 H 1 1.131 0.020 . 1 . . . . 52 THR HG2 . 17027 1 415 . 1 1 52 52 THR HG23 H 1 1.131 0.020 . 1 . . . . 52 THR HG2 . 17027 1 416 . 1 1 52 52 THR CG2 C 13 19.180 0.400 . 1 . . . . 52 THR CG2 . 17027 1 417 . 1 1 52 52 THR N N 15 116.632 0.400 . 1 . . . . 52 THR N . 17027 1 418 . 1 1 53 53 VAL H H 1 8.396 0.020 . 1 . . . . 53 VAL H . 17027 1 419 . 1 1 53 53 VAL HA H 1 4.319 0.020 . 1 . . . . 53 VAL HA . 17027 1 420 . 1 1 53 53 VAL HB H 1 2.050 0.020 . 1 . . . . 53 VAL HB . 17027 1 421 . 1 1 53 53 VAL HG11 H 1 0.936 0.020 . 2 . . . . 53 VAL HG1 . 17027 1 422 . 1 1 53 53 VAL HG12 H 1 0.936 0.020 . 2 . . . . 53 VAL HG1 . 17027 1 423 . 1 1 53 53 VAL HG13 H 1 0.936 0.020 . 2 . . . . 53 VAL HG1 . 17027 1 424 . 1 1 53 53 VAL HG21 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 17027 1 425 . 1 1 53 53 VAL HG22 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 17027 1 426 . 1 1 53 53 VAL HG23 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 17027 1 427 . 1 1 53 53 VAL CG1 C 13 19.754 0.400 . 1 . . . . 53 VAL CG1 . 17027 1 428 . 1 1 53 53 VAL N N 15 123.065 0.400 . 1 . . . . 53 VAL N . 17027 1 429 . 1 1 54 54 TYR H H 1 8.635 0.020 . 1 . . . . 54 TYR H . 17027 1 430 . 1 1 54 54 TYR HA H 1 4.651 0.020 . 1 . . . . 54 TYR HA . 17027 1 431 . 1 1 54 54 TYR HB2 H 1 3.001 0.020 . 2 . . . . 54 TYR HB2 . 17027 1 432 . 1 1 54 54 TYR HB3 H 1 2.932 0.020 . 2 . . . . 54 TYR HB3 . 17027 1 433 . 1 1 54 54 TYR HD1 H 1 7.094 0.020 . 1 . . . . 54 TYR HD1 . 17027 1 434 . 1 1 54 54 TYR HD2 H 1 7.094 0.020 . 1 . . . . 54 TYR HD2 . 17027 1 435 . 1 1 54 54 TYR HE1 H 1 6.634 0.020 . 1 . . . . 54 TYR HE1 . 17027 1 436 . 1 1 54 54 TYR HE2 H 1 6.634 0.020 . 1 . . . . 54 TYR HE2 . 17027 1 437 . 1 1 54 54 TYR N N 15 125.990 0.400 . 1 . . . . 54 TYR N . 17027 1 438 . 1 1 55 55 ASP H H 1 8.323 0.020 . 1 . . . . 55 ASP H . 17027 1 439 . 1 1 55 55 ASP HA H 1 4.478 0.020 . 1 . . . . 55 ASP HA . 17027 1 440 . 1 1 55 55 ASP HB2 H 1 2.775 0.020 . 1 . . . . 55 ASP HB2 . 17027 1 441 . 1 1 55 55 ASP HB3 H 1 2.613 0.020 . 1 . . . . 55 ASP HB3 . 17027 1 442 . 1 1 55 55 ASP CB C 13 37.547 0.400 . 1 . . . . 55 ASP CB . 17027 1 443 . 1 1 55 55 ASP N N 15 124.935 0.400 . 1 . . . . 55 ASP N . 17027 1 444 . 1 1 56 56 GLY H H 1 7.061 0.020 . 1 . . . . 56 GLY H . 17027 1 445 . 1 1 56 56 GLY HA2 H 1 3.565 0.020 . 2 . . . . 56 GLY HA2 . 17027 1 446 . 1 1 56 56 GLY HA3 H 1 3.906 0.020 . 2 . . . . 56 GLY HA3 . 17027 1 447 . 1 1 56 56 GLY N N 15 107.709 0.400 . 1 . . . . 56 GLY N . 17027 1 448 . 1 1 57 57 TYR H H 1 8.232 0.020 . 1 . . . . 57 TYR H . 17027 1 449 . 1 1 57 57 TYR HA H 1 4.628 0.020 . 1 . . . . 57 TYR HA . 17027 1 450 . 1 1 57 57 TYR HB2 H 1 3.000 0.020 . 1 . . . . 57 TYR HB2 . 17027 1 451 . 1 1 57 57 TYR HB3 H 1 2.911 0.020 . 1 . . . . 57 TYR HB3 . 17027 1 452 . 1 1 57 57 TYR HD1 H 1 7.093 0.020 . 1 . . . . 57 TYR HD1 . 17027 1 453 . 1 1 57 57 TYR HD2 H 1 7.093 0.020 . 1 . . . . 57 TYR HD2 . 17027 1 454 . 1 1 57 57 TYR N N 15 119.302 0.400 . 1 . . . . 57 TYR N . 17027 1 455 . 1 1 58 58 SER H H 1 8.600 0.020 . 1 . . . . 58 SER H . 17027 1 456 . 1 1 58 58 SER HA H 1 4.345 0.020 . 1 . . . . 58 SER HA . 17027 1 457 . 1 1 58 58 SER HB2 H 1 3.842 0.020 . 2 . . . . 58 SER HB2 . 17027 1 458 . 1 1 58 58 SER HB3 H 1 3.842 0.020 . 2 . . . . 58 SER HB3 . 17027 1 459 . 1 1 58 58 SER N N 15 117.811 0.400 . 1 . . . . 58 SER N . 17027 1 460 . 1 1 59 59 LYS H H 1 8.316 0.020 . 1 . . . . 59 LYS H . 17027 1 461 . 1 1 59 59 LYS HA H 1 4.191 0.020 . 1 . . . . 59 LYS HA . 17027 1 462 . 1 1 59 59 LYS HB2 H 1 1.676 0.020 . 2 . . . . 59 LYS HB2 . 17027 1 463 . 1 1 59 59 LYS HB3 H 1 1.676 0.020 . 2 . . . . 59 LYS HB3 . 17027 1 464 . 1 1 59 59 LYS HD2 H 1 1.629 0.020 . 2 . . . . 59 LYS HD2 . 17027 1 465 . 1 1 59 59 LYS HD3 H 1 1.629 0.020 . 2 . . . . 59 LYS HD3 . 17027 1 466 . 1 1 59 59 LYS HE2 H 1 2.957 0.020 . 2 . . . . 59 LYS HE2 . 17027 1 467 . 1 1 59 59 LYS HE3 H 1 2.957 0.020 . 2 . . . . 59 LYS HE3 . 17027 1 468 . 1 1 59 59 LYS HG2 H 1 1.301 0.020 . 2 . . . . 59 LYS HG2 . 17027 1 469 . 1 1 59 59 LYS HG3 H 1 1.359 0.020 . 2 . . . . 59 LYS HG3 . 17027 1 470 . 1 1 59 59 LYS N N 15 121.919 0.400 . 1 . . . . 59 LYS N . 17027 1 471 . 1 1 60 60 HIS H H 1 8.319 0.020 . 1 . . . . 60 HIS H . 17027 1 472 . 1 1 60 60 HIS HA H 1 4.661 0.020 . 1 . . . . 60 HIS HA . 17027 1 473 . 1 1 60 60 HIS HB2 H 1 3.163 0.020 . 1 . . . . 60 HIS HB2 . 17027 1 474 . 1 1 60 60 HIS HB3 H 1 3.021 0.020 . 1 . . . . 60 HIS HB3 . 17027 1 475 . 1 1 60 60 HIS HD2 H 1 7.218 0.020 . 1 . . . . 60 HIS HD2 . 17027 1 476 . 1 1 60 60 HIS HE1 H 1 8.593 0.020 . 1 . . . . 60 HIS HE1 . 17027 1 477 . 1 1 60 60 HIS N N 15 118.272 0.400 . 1 . . . . 60 HIS N . 17027 1 478 . 1 1 61 61 ALA H H 1 8.355 0.020 . 1 . . . . 61 ALA H . 17027 1 479 . 1 1 61 61 ALA HA H 1 4.403 0.020 . 1 . . . . 61 ALA HA . 17027 1 480 . 1 1 61 61 ALA HB1 H 1 1.424 0.020 . 1 . . . . 61 ALA HB . 17027 1 481 . 1 1 61 61 ALA HB2 H 1 1.424 0.020 . 1 . . . . 61 ALA HB . 17027 1 482 . 1 1 61 61 ALA HB3 H 1 1.424 0.020 . 1 . . . . 61 ALA HB . 17027 1 483 . 1 1 61 61 ALA CB C 13 17.042 0.400 . 1 . . . . 61 ALA CB . 17027 1 484 . 1 1 61 61 ALA N N 15 125.262 0.400 . 1 . . . . 61 ALA N . 17027 1 485 . 1 1 62 62 SER H H 1 8.081 0.020 . 1 . . . . 62 SER H . 17027 1 486 . 1 1 62 62 SER HA H 1 5.577 0.020 . 1 . . . . 62 SER HA . 17027 1 487 . 1 1 62 62 SER HB2 H 1 3.761 0.020 . 2 . . . . 62 SER HB2 . 17027 1 488 . 1 1 62 62 SER HB3 H 1 3.710 0.020 . 2 . . . . 62 SER HB3 . 17027 1 489 . 1 1 62 62 SER N N 15 113.260 0.400 . 1 . . . . 62 SER N . 17027 1 490 . 1 1 63 63 THR H H 1 8.992 0.020 . 1 . . . . 63 THR H . 17027 1 491 . 1 1 63 63 THR HA H 1 4.859 0.020 . 1 . . . . 63 THR HA . 17027 1 492 . 1 1 63 63 THR HB H 1 4.247 0.020 . 1 . . . . 63 THR HB . 17027 1 493 . 1 1 63 63 THR HG21 H 1 1.316 0.020 . 1 . . . . 63 THR HG2 . 17027 1 494 . 1 1 63 63 THR HG22 H 1 1.316 0.020 . 1 . . . . 63 THR HG2 . 17027 1 495 . 1 1 63 63 THR HG23 H 1 1.316 0.020 . 1 . . . . 63 THR HG2 . 17027 1 496 . 1 1 63 63 THR CG2 C 13 19.165 0.400 . 1 . . . . 63 THR CG2 . 17027 1 497 . 1 1 63 63 THR N N 15 116.804 0.400 . 1 . . . . 63 THR N . 17027 1 498 . 1 1 64 64 THR H H 1 8.933 0.020 . 1 . . . . 64 THR H . 17027 1 499 . 1 1 64 64 THR HA H 1 5.463 0.020 . 1 . . . . 64 THR HA . 17027 1 500 . 1 1 64 64 THR HB H 1 4.061 0.020 . 1 . . . . 64 THR HB . 17027 1 501 . 1 1 64 64 THR HG21 H 1 1.233 0.020 . 1 . . . . 64 THR HG2 . 17027 1 502 . 1 1 64 64 THR HG22 H 1 1.233 0.020 . 1 . . . . 64 THR HG2 . 17027 1 503 . 1 1 64 64 THR HG23 H 1 1.233 0.020 . 1 . . . . 64 THR HG2 . 17027 1 504 . 1 1 64 64 THR CG2 C 13 20.332 0.400 . 1 . . . . 64 THR CG2 . 17027 1 505 . 1 1 64 64 THR N N 15 122.197 0.400 . 1 . . . . 64 THR N . 17027 1 506 . 1 1 65 65 SER H H 1 9.335 0.020 . 1 . . . . 65 SER H . 17027 1 507 . 1 1 65 65 SER HA H 1 5.003 0.020 . 1 . . . . 65 SER HA . 17027 1 508 . 1 1 65 65 SER HB2 H 1 3.878 0.020 . 1 . . . . 65 SER HB2 . 17027 1 509 . 1 1 65 65 SER HB3 H 1 3.799 0.020 . 1 . . . . 65 SER HB3 . 17027 1 510 . 1 1 65 65 SER N N 15 121.841 0.400 . 1 . . . . 65 SER N . 17027 1 511 . 1 1 66 66 CYS H H 1 9.212 0.020 . 1 . . . . 66 CYS H . 17027 1 512 . 1 1 66 66 CYS HA H 1 5.601 0.020 . 1 . . . . 66 CYS HA . 17027 1 513 . 1 1 66 66 CYS HB2 H 1 2.809 0.020 . 1 . . . . 66 CYS HB2 . 17027 1 514 . 1 1 66 66 CYS HB3 H 1 2.969 0.020 . 1 . . . . 66 CYS HB3 . 17027 1 515 . 1 1 66 66 CYS N N 15 121.560 0.400 . 1 . . . . 66 CYS N . 17027 1 516 . 1 1 67 67 CYS H H 1 9.214 0.020 . 1 . . . . 67 CYS H . 17027 1 517 . 1 1 67 67 CYS HA H 1 5.222 0.020 . 1 . . . . 67 CYS HA . 17027 1 518 . 1 1 67 67 CYS HB2 H 1 3.241 0.020 . 1 . . . . 67 CYS HB2 . 17027 1 519 . 1 1 67 67 CYS HB3 H 1 3.642 0.020 . 1 . . . . 67 CYS HB3 . 17027 1 520 . 1 1 67 67 CYS N N 15 117.869 0.400 . 1 . . . . 67 CYS N . 17027 1 521 . 1 1 68 68 GLN H H 1 9.267 0.020 . 1 . . . . 68 GLN H . 17027 1 522 . 1 1 68 68 GLN HA H 1 4.877 0.020 . 1 . . . . 68 GLN HA . 17027 1 523 . 1 1 68 68 GLN HB2 H 1 2.330 0.020 . 1 . . . . 68 GLN HB2 . 17027 1 524 . 1 1 68 68 GLN HB3 H 1 1.855 0.020 . 1 . . . . 68 GLN HB3 . 17027 1 525 . 1 1 68 68 GLN HE21 H 1 6.734 0.020 . 2 . . . . 68 GLN HE21 . 17027 1 526 . 1 1 68 68 GLN HE22 H 1 6.471 0.020 . 2 . . . . 68 GLN HE22 . 17027 1 527 . 1 1 68 68 GLN HG2 H 1 2.140 0.020 . 2 . . . . 68 GLN HG2 . 17027 1 528 . 1 1 68 68 GLN HG3 H 1 2.026 0.020 . 2 . . . . 68 GLN HG3 . 17027 1 529 . 1 1 68 68 GLN CB C 13 29.284 0.400 . 1 . . . . 68 GLN CB . 17027 1 530 . 1 1 68 68 GLN CG C 13 33.336 0.400 . 1 . . . . 68 GLN CG . 17027 1 531 . 1 1 68 68 GLN N N 15 119.056 0.400 . 1 . . . . 68 GLN N . 17027 1 532 . 1 1 68 68 GLN NE2 N 15 111.690 0.400 . 1 . . . . 68 GLN NE2 . 17027 1 533 . 1 1 69 69 TYR H H 1 7.358 0.020 . 1 . . . . 69 TYR H . 17027 1 534 . 1 1 69 69 TYR HA H 1 4.944 0.020 . 1 . . . . 69 TYR HA . 17027 1 535 . 1 1 69 69 TYR HB2 H 1 3.073 0.020 . 1 . . . . 69 TYR HB2 . 17027 1 536 . 1 1 69 69 TYR HB3 H 1 3.134 0.020 . 1 . . . . 69 TYR HB3 . 17027 1 537 . 1 1 69 69 TYR HD1 H 1 7.204 0.020 . 1 . . . . 69 TYR HD1 . 17027 1 538 . 1 1 69 69 TYR HD2 H 1 7.204 0.020 . 1 . . . . 69 TYR HD2 . 17027 1 539 . 1 1 69 69 TYR HE1 H 1 6.946 0.020 . 1 . . . . 69 TYR HE1 . 17027 1 540 . 1 1 69 69 TYR HE2 H 1 6.946 0.020 . 1 . . . . 69 TYR HE2 . 17027 1 541 . 1 1 69 69 TYR N N 15 117.048 0.400 . 1 . . . . 69 TYR N . 17027 1 542 . 1 1 70 70 ASP H H 1 8.352 0.020 . 1 . . . . 70 ASP H . 17027 1 543 . 1 1 70 70 ASP HA H 1 4.948 0.020 . 1 . . . . 70 ASP HA . 17027 1 544 . 1 1 70 70 ASP HB2 H 1 2.567 0.020 . 1 . . . . 70 ASP HB2 . 17027 1 545 . 1 1 70 70 ASP HB3 H 1 2.489 0.020 . 1 . . . . 70 ASP HB3 . 17027 1 546 . 1 1 70 70 ASP N N 15 119.672 0.400 . 1 . . . . 70 ASP N . 17027 1 547 . 1 1 71 71 LEU H H 1 9.383 0.020 . 1 . . . . 71 LEU H . 17027 1 548 . 1 1 71 71 LEU HA H 1 3.430 0.020 . 1 . . . . 71 LEU HA . 17027 1 549 . 1 1 71 71 LEU HB2 H 1 1.997 0.020 . 1 . . . . 71 LEU HB2 . 17027 1 550 . 1 1 71 71 LEU HB3 H 1 1.414 0.020 . 1 . . . . 71 LEU HB3 . 17027 1 551 . 1 1 71 71 LEU HD11 H 1 0.809 0.020 . 1 . . . . 71 LEU HD1 . 17027 1 552 . 1 1 71 71 LEU HD12 H 1 0.809 0.020 . 1 . . . . 71 LEU HD1 . 17027 1 553 . 1 1 71 71 LEU HD13 H 1 0.809 0.020 . 1 . . . . 71 LEU HD1 . 17027 1 554 . 1 1 71 71 LEU HD21 H 1 0.005 0.020 . 1 . . . . 71 LEU HD2 . 17027 1 555 . 1 1 71 71 LEU HD22 H 1 0.005 0.020 . 1 . . . . 71 LEU HD2 . 17027 1 556 . 1 1 71 71 LEU HD23 H 1 0.005 0.020 . 1 . . . . 71 LEU HD2 . 17027 1 557 . 1 1 71 71 LEU HG H 1 1.315 0.020 . 1 . . . . 71 LEU HG . 17027 1 558 . 1 1 71 71 LEU CB C 13 34.840 0.400 . 1 . . . . 71 LEU CB . 17027 1 559 . 1 1 71 71 LEU CD2 C 13 19.005 0.400 . 1 . . . . 71 LEU CD2 . 17027 1 560 . 1 1 71 71 LEU N N 15 114.366 0.400 . 1 . . . . 71 LEU N . 17027 1 561 . 1 1 72 72 CYS H H 1 7.863 0.020 . 1 . . . . 72 CYS H . 17027 1 562 . 1 1 72 72 CYS HA H 1 3.990 0.020 . 1 . . . . 72 CYS HA . 17027 1 563 . 1 1 72 72 CYS HB2 H 1 2.575 0.020 . 1 . . . . 72 CYS HB2 . 17027 1 564 . 1 1 72 72 CYS HB3 H 1 1.650 0.020 . 1 . . . . 72 CYS HB3 . 17027 1 565 . 1 1 72 72 CYS N N 15 112.881 0.400 . 1 . . . . 72 CYS N . 17027 1 566 . 1 1 73 73 ASN H H 1 8.688 0.020 . 1 . . . . 73 ASN H . 17027 1 567 . 1 1 73 73 ASN HA H 1 4.834 0.020 . 1 . . . . 73 ASN HA . 17027 1 568 . 1 1 73 73 ASN HB2 H 1 3.306 0.020 . 1 . . . . 73 ASN HB2 . 17027 1 569 . 1 1 73 73 ASN HB3 H 1 2.342 0.020 . 1 . . . . 73 ASN HB3 . 17027 1 570 . 1 1 73 73 ASN HD21 H 1 6.583 0.020 . 2 . . . . 73 ASN HD21 . 17027 1 571 . 1 1 73 73 ASN HD22 H 1 8.376 0.020 . 2 . . . . 73 ASN HD22 . 17027 1 572 . 1 1 73 73 ASN N N 15 121.606 0.400 . 1 . . . . 73 ASN N . 17027 1 573 . 1 1 73 73 ASN ND2 N 15 111.041 0.400 . 1 . . . . 73 ASN ND2 . 17027 1 574 . 1 1 74 74 GLY H H 1 7.825 0.020 . 1 . . . . 74 GLY H . 17027 1 575 . 1 1 74 74 GLY HA2 H 1 3.816 0.020 . 2 . . . . 74 GLY HA2 . 17027 1 576 . 1 1 74 74 GLY HA3 H 1 3.699 0.020 . 2 . . . . 74 GLY HA3 . 17027 1 577 . 1 1 74 74 GLY N N 15 115.227 0.400 . 1 . . . . 74 GLY N . 17027 1 stop_ save_