data_5690 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5690 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Cobra Neurotoxin II ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-02-11 _Entry.Accession_date 2003-02-11 _Entry.Last_release_date 2003-05-08 _Entry.Original_release_date 2003-05-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eduard Bocharov . V. . 5690 2 Alexandre Arseniev . S. . 5690 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5690 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 400 5690 '13C chemical shifts' 254 5690 '15N chemical shifts' 71 5690 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 . . 2003-05-08 2003-02-11 original author . 5690 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5052 'Chemical shifts by different group' 5690 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5690 _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 'Bacterial expession of isotope labeled snake neurotoxin, disulfide-rich protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 Ekaterina Lyukmanova . N. . 5690 1 2 Eduard Bocharov . V. . 5690 1 3 Yaroslav Ermolyuk . S. . 5690 1 4 Alexey Schulga . A. . 5690 1 5 Kirill Pluzhnikov . A. . 5690 1 6 Dmitry Dolgikh . A. . 5690 1 7 Alexander Arseniev . S. . 5690 1 8 Mikhail Kirpichnikov . P. . 5690 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'neurotoxin II' 5690 1 'cobra neurotoxins' 5690 1 expression 5690 1 'heteronuclear NMR' 5690 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 5690 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels C., Xia T.-H., Billeter M., Guntert P. & Wuthrich K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J. Biomol. NMR (1995) 6, 1-10. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_neurotoxin_II _Assembly.Sf_category assembly _Assembly.Sf_framecode neurotoxin_II _Assembly.Entry_ID 5690 _Assembly.ID 1 _Assembly.Name 'cobra neurotoxin II' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5690 1 stop_ 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 'neurotoxin II, nt2' 1 $CBT . . . native . . . . . 5690 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 . . CYS 3 3 SG . 1 . 1 CYS 23 23 SG . . . . . . . . . . 5690 1 2 disulfide single . 1 . . CYS 17 17 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . 5690 1 3 disulfide single . 1 . . CYS 42 42 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . 5690 1 4 disulfide single . 1 . . CYS 54 54 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . 5690 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NOR . . . . . . 5690 1 . PDB 1JE9 . . . . . . 5690 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cobra neurotoxin II' system 5690 1 'neurotoxin II' abbreviation 5690 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID cobrotoxin 5690 1 neurotoxin 5690 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBT _Entity.Sf_category entity _Entity.Sf_framecode CBT _Entity.Entry_ID 5690 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'neurotoxin II' _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 ; LECHNQQSSQPPTTKTCSGE TNCYKKWWSDHRGTIIERGC GCPKVKPGVNLNCCRTDRCN N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 BMRB 16060 . NT_II . . . . . 100.00 61 100.00 100.00 7.27e-36 . . . . 5690 1 2 no BMRB 19704 . entity . . . . . 100.00 61 100.00 100.00 7.27e-36 . . . . 5690 1 3 no BMRB 5052 . nt2 . . . . . 100.00 61 98.36 98.36 4.00e-35 . . . . 5690 1 4 no PDB 1JE9 . "Nmr Solution Structure Of Nt2" . . . . . 100.00 61 98.36 98.36 4.00e-35 . . . . 5690 1 5 no PDB 1NOR . "Two-Dimensional 1h-Nmr Study Of The Spatial Structure Of Neurotoxin Ii From Naja Oxiana" . . . . . 100.00 61 100.00 100.00 7.27e-36 . . . . 5690 1 6 no SP P01427 . "RecName: Full=Short neurotoxin 1; AltName: Full=Neurotoxin II; Short=NTX II; AltName: Full=Neurotoxin alpha [Naja oxiana]" . . . . . 100.00 61 100.00 100.00 7.27e-36 . . . . 5690 1 7 no SP P59276 . "RecName: Full=Cobrotoxin-c; Short=CBT-c; AltName: Full=Short neurotoxin II; Short=NT2 [Naja kaouthia]" . . . . . 100.00 61 98.36 98.36 4.00e-35 . . . . 5690 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'neurotoxin II' common 5690 1 CBT abbreviation 5690 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 . LEU . 5690 1 2 . GLU . 5690 1 3 . CYS . 5690 1 4 . HIS . 5690 1 5 . ASN . 5690 1 6 . GLN . 5690 1 7 . GLN . 5690 1 8 . SER . 5690 1 9 . SER . 5690 1 10 . GLN . 5690 1 11 . PRO . 5690 1 12 . PRO . 5690 1 13 . THR . 5690 1 14 . THR . 5690 1 15 . LYS . 5690 1 16 . THR . 5690 1 17 . CYS . 5690 1 18 . SER . 5690 1 19 . GLY . 5690 1 20 . GLU . 5690 1 21 . THR . 5690 1 22 . ASN . 5690 1 23 . CYS . 5690 1 24 . TYR . 5690 1 25 . LYS . 5690 1 26 . LYS . 5690 1 27 . TRP . 5690 1 28 . TRP . 5690 1 29 . SER . 5690 1 30 . ASP . 5690 1 31 . HIS . 5690 1 32 . ARG . 5690 1 33 . GLY . 5690 1 34 . THR . 5690 1 35 . ILE . 5690 1 36 . ILE . 5690 1 37 . GLU . 5690 1 38 . ARG . 5690 1 39 . GLY . 5690 1 40 . CYS . 5690 1 41 . GLY . 5690 1 42 . CYS . 5690 1 43 . PRO . 5690 1 44 . LYS . 5690 1 45 . VAL . 5690 1 46 . LYS . 5690 1 47 . PRO . 5690 1 48 . GLY . 5690 1 49 . VAL . 5690 1 50 . ASN . 5690 1 51 . LEU . 5690 1 52 . ASN . 5690 1 53 . CYS . 5690 1 54 . CYS . 5690 1 55 . ARG . 5690 1 56 . THR . 5690 1 57 . ASP . 5690 1 58 . ARG . 5690 1 59 . CYS . 5690 1 60 . ASN . 5690 1 61 . ASN . 5690 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 . LEU 1 1 5690 1 . GLU 2 2 5690 1 . CYS 3 3 5690 1 . HIS 4 4 5690 1 . ASN 5 5 5690 1 . GLN 6 6 5690 1 . GLN 7 7 5690 1 . SER 8 8 5690 1 . SER 9 9 5690 1 . GLN 10 10 5690 1 . PRO 11 11 5690 1 . PRO 12 12 5690 1 . THR 13 13 5690 1 . THR 14 14 5690 1 . LYS 15 15 5690 1 . THR 16 16 5690 1 . CYS 17 17 5690 1 . SER 18 18 5690 1 . GLY 19 19 5690 1 . GLU 20 20 5690 1 . THR 21 21 5690 1 . ASN 22 22 5690 1 . CYS 23 23 5690 1 . TYR 24 24 5690 1 . LYS 25 25 5690 1 . LYS 26 26 5690 1 . TRP 27 27 5690 1 . TRP 28 28 5690 1 . SER 29 29 5690 1 . ASP 30 30 5690 1 . HIS 31 31 5690 1 . ARG 32 32 5690 1 . GLY 33 33 5690 1 . THR 34 34 5690 1 . ILE 35 35 5690 1 . ILE 36 36 5690 1 . GLU 37 37 5690 1 . ARG 38 38 5690 1 . GLY 39 39 5690 1 . CYS 40 40 5690 1 . GLY 41 41 5690 1 . CYS 42 42 5690 1 . PRO 43 43 5690 1 . LYS 44 44 5690 1 . VAL 45 45 5690 1 . LYS 46 46 5690 1 . PRO 47 47 5690 1 . GLY 48 48 5690 1 . VAL 49 49 5690 1 . ASN 50 50 5690 1 . LEU 51 51 5690 1 . ASN 52 52 5690 1 . CYS 53 53 5690 1 . CYS 54 54 5690 1 . ARG 55 55 5690 1 . THR 56 56 5690 1 . ASP 57 57 5690 1 . ARG 58 58 5690 1 . CYS 59 59 5690 1 . ASN 60 60 5690 1 . ASN 61 61 5690 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 5690 _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 $CBT . 8657 organism . 'Naja oxiana' 'Central Asian cobra' . . Eukaryota Metazoa Naja oxiana . . . . . . . . . . . . . 'snake venom' . . . . . . . 5690 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 5690 _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 $CBT . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . . . . . . . . 5690 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5690 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'neurotoxin II' '[U-95% 13C; U-95% 15N]' . . 1 $CBT . . 2 . . mM . . . . 5690 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5690 _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 3.0 0.1 n/a 5690 1 temperature 303 0.5 K 5690 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5690 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 5690 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 5690 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5690 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5690 _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 NMR_spectrometer VARIAN UNITY . 600 . . . 5690 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 5690 _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 15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5690 1 2 13C-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5690 1 3 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5690 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5690 1 5 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5690 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5690 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5690 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5690 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5690 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5690 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $XEASY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5690 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5690 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5690 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5690 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_nt2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nt2 _Assigned_chem_shift_list.Entry_ID 5690 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5690 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 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 5690 1 2 . 1 1 1 1 LEU HA H 1 4.13 0.02 . 1 . . . . . . . . 5690 1 3 . 1 1 1 1 LEU CB C 13 43.5 0.2 . 1 . . . . . . . . 5690 1 4 . 1 1 1 1 LEU HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5690 1 5 . 1 1 1 1 LEU HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5690 1 6 . 1 1 1 1 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 5690 1 7 . 1 1 1 1 LEU HG H 1 1.39 0.02 . 1 . . . . . . . . 5690 1 8 . 1 1 1 1 LEU HD11 H 1 0.56 0.02 . 2 . . . . . . . . 5690 1 9 . 1 1 1 1 LEU HD12 H 1 0.56 0.02 . 2 . . . . . . . . 5690 1 10 . 1 1 1 1 LEU HD13 H 1 0.56 0.02 . 2 . . . . . . . . 5690 1 11 . 1 1 1 1 LEU HD21 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 12 . 1 1 1 1 LEU HD22 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 13 . 1 1 1 1 LEU HD23 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 14 . 1 1 1 1 LEU CD1 C 13 26.0 0.2 . 1 . . . . . . . . 5690 1 15 . 1 1 1 1 LEU CD2 C 13 22.5 0.2 . 1 . . . . . . . . 5690 1 16 . 1 1 1 1 LEU C C 13 171.8 0.2 . 1 . . . . . . . . 5690 1 17 . 1 1 2 2 GLU N N 15 125.6 0.2 . 1 . . . . . . . . 5690 1 18 . 1 1 2 2 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 5690 1 19 . 1 1 2 2 GLU CA C 13 54.0 0.2 . 1 . . . . . . . . 5690 1 20 . 1 1 2 2 GLU HA H 1 5.10 0.02 . 1 . . . . . . . . 5690 1 21 . 1 1 2 2 GLU CB C 13 30.9 0.2 . 1 . . . . . . . . 5690 1 22 . 1 1 2 2 GLU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 5690 1 23 . 1 1 2 2 GLU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 5690 1 24 . 1 1 2 2 GLU CG C 13 33.6 0.2 . 1 . . . . . . . . 5690 1 25 . 1 1 2 2 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5690 1 26 . 1 1 2 2 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5690 1 27 . 1 1 2 2 GLU C C 13 175.1 0.2 . 1 . . . . . . . . 5690 1 28 . 1 1 3 3 CYS N N 15 119.2 0.2 . 1 . . . . . . . . 5690 1 29 . 1 1 3 3 CYS H H 1 8.72 0.02 . 1 . . . . . . . . 5690 1 30 . 1 1 3 3 CYS CA C 13 51.4 0.2 . 1 . . . . . . . . 5690 1 31 . 1 1 3 3 CYS HA H 1 5.04 0.02 . 1 . . . . . . . . 5690 1 32 . 1 1 3 3 CYS CB C 13 40.9 0.2 . 1 . . . . . . . . 5690 1 33 . 1 1 3 3 CYS HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5690 1 34 . 1 1 3 3 CYS HB3 H 1 2.90 0.02 . 2 . . . . . . . . 5690 1 35 . 1 1 3 3 CYS C C 13 175.7 0.2 . 1 . . . . . . . . 5690 1 36 . 1 1 4 4 HIS N N 15 119.7 0.2 . 1 . . . . . . . . 5690 1 37 . 1 1 4 4 HIS H H 1 9.77 0.02 . 1 . . . . . . . . 5690 1 38 . 1 1 4 4 HIS CA C 13 57.1 0.2 . 1 . . . . . . . . 5690 1 39 . 1 1 4 4 HIS HA H 1 5.41 0.02 . 1 . . . . . . . . 5690 1 40 . 1 1 4 4 HIS CB C 13 27.8 0.2 . 1 . . . . . . . . 5690 1 41 . 1 1 4 4 HIS HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5690 1 42 . 1 1 4 4 HIS HB3 H 1 3.76 0.02 . 2 . . . . . . . . 5690 1 43 . 1 1 4 4 HIS CD2 C 13 119.5 0.2 . 1 . . . . . . . . 5690 1 44 . 1 1 4 4 HIS CE1 C 13 137.1 0.2 . 1 . . . . . . . . 5690 1 45 . 1 1 4 4 HIS HD2 H 1 6.74 0.02 . 1 . . . . . . . . 5690 1 46 . 1 1 4 4 HIS HE1 H 1 8.81 0.02 . 1 . . . . . . . . 5690 1 47 . 1 1 4 4 HIS C C 13 175.9 0.2 . 1 . . . . . . . . 5690 1 48 . 1 1 5 5 ASN N N 15 116.6 0.2 . 1 . . . . . . . . 5690 1 49 . 1 1 5 5 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 5690 1 50 . 1 1 5 5 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 5690 1 51 . 1 1 5 5 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 5690 1 52 . 1 1 5 5 ASN CB C 13 38.8 0.2 . 1 . . . . . . . . 5690 1 53 . 1 1 5 5 ASN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5690 1 54 . 1 1 5 5 ASN HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5690 1 55 . 1 1 5 5 ASN ND2 N 15 114.2 0.2 . 1 . . . . . . . . 5690 1 56 . 1 1 5 5 ASN HD21 H 1 7.61 0.02 . 2 . . . . . . . . 5690 1 57 . 1 1 5 5 ASN HD22 H 1 7.09 0.02 . 2 . . . . . . . . 5690 1 58 . 1 1 5 5 ASN C C 13 173.7 0.2 . 1 . . . . . . . . 5690 1 59 . 1 1 6 6 GLN N N 15 126.5 0.2 . 1 . . . . . . . . 5690 1 60 . 1 1 6 6 GLN H H 1 9.11 0.02 . 1 . . . . . . . . 5690 1 61 . 1 1 6 6 GLN CA C 13 55.7 0.2 . 1 . . . . . . . . 5690 1 62 . 1 1 6 6 GLN HA H 1 4.53 0.02 . 1 . . . . . . . . 5690 1 63 . 1 1 6 6 GLN CB C 13 26.7 0.2 . 1 . . . . . . . . 5690 1 64 . 1 1 6 6 GLN HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5690 1 65 . 1 1 6 6 GLN HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5690 1 66 . 1 1 6 6 GLN CG C 13 33.2 0.2 . 1 . . . . . . . . 5690 1 67 . 1 1 6 6 GLN HG2 H 1 1.89 0.02 . 2 . . . . . . . . 5690 1 68 . 1 1 6 6 GLN HG3 H 1 2.57 0.02 . 2 . . . . . . . . 5690 1 69 . 1 1 6 6 GLN NE2 N 15 109.8 0.2 . 1 . . . . . . . . 5690 1 70 . 1 1 6 6 GLN HE21 H 1 7.77 0.02 . 2 . . . . . . . . 5690 1 71 . 1 1 6 6 GLN HE22 H 1 6.62 0.02 . 2 . . . . . . . . 5690 1 72 . 1 1 6 6 GLN C C 13 174.6 0.2 . 1 . . . . . . . . 5690 1 73 . 1 1 7 7 GLN N N 15 121.7 0.2 . 1 . . . . . . . . 5690 1 74 . 1 1 7 7 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 5690 1 75 . 1 1 7 7 GLN CA C 13 54.4 0.2 . 1 . . . . . . . . 5690 1 76 . 1 1 7 7 GLN HA H 1 4.76 0.02 . 1 . . . . . . . . 5690 1 77 . 1 1 7 7 GLN CB C 13 30.8 0.2 . 1 . . . . . . . . 5690 1 78 . 1 1 7 7 GLN HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5690 1 79 . 1 1 7 7 GLN HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5690 1 80 . 1 1 7 7 GLN CG C 13 34.2 0.2 . 1 . . . . . . . . 5690 1 81 . 1 1 7 7 GLN HG2 H 1 2.55 0.02 . 1 . . . . . . . . 5690 1 82 . 1 1 7 7 GLN HG3 H 1 2.55 0.02 . 1 . . . . . . . . 5690 1 83 . 1 1 7 7 GLN NE2 N 15 111.3 0.2 . 1 . . . . . . . . 5690 1 84 . 1 1 7 7 GLN HE21 H 1 7.41 0.02 . 2 . . . . . . . . 5690 1 85 . 1 1 7 7 GLN HE22 H 1 6.90 0.02 . 2 . . . . . . . . 5690 1 86 . 1 1 7 7 GLN C C 13 176.4 0.2 . 1 . . . . . . . . 5690 1 87 . 1 1 8 8 SER N N 15 115.8 0.2 . 1 . . . . . . . . 5690 1 88 . 1 1 8 8 SER H H 1 9.60 0.02 . 1 . . . . . . . . 5690 1 89 . 1 1 8 8 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 5690 1 90 . 1 1 8 8 SER HA H 1 3.85 0.02 . 1 . . . . . . . . 5690 1 91 . 1 1 8 8 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 5690 1 92 . 1 1 8 8 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 5690 1 93 . 1 1 8 8 SER HB3 H 1 4.10 0.02 . 2 . . . . . . . . 5690 1 94 . 1 1 8 8 SER C C 13 174.7 0.2 . 1 . . . . . . . . 5690 1 95 . 1 1 9 9 SER N N 15 119.5 0.2 . 1 . . . . . . . . 5690 1 96 . 1 1 9 9 SER H H 1 8.30 0.02 . 1 . . . . . . . . 5690 1 97 . 1 1 9 9 SER CA C 13 57.4 0.2 . 1 . . . . . . . . 5690 1 98 . 1 1 9 9 SER HA H 1 4.62 0.02 . 1 . . . . . . . . 5690 1 99 . 1 1 9 9 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 5690 1 100 . 1 1 9 9 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5690 1 101 . 1 1 9 9 SER HB3 H 1 3.95 0.02 . 2 . . . . . . . . 5690 1 102 . 1 1 9 9 SER C C 13 173.9 0.2 . 1 . . . . . . . . 5690 1 103 . 1 1 10 10 GLN N N 15 121.0 0.2 . 1 . . . . . . . . 5690 1 104 . 1 1 10 10 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5690 1 105 . 1 1 10 10 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 5690 1 106 . 1 1 10 10 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5690 1 107 . 1 1 10 10 GLN CB C 13 27.4 0.2 . 1 . . . . . . . . 5690 1 108 . 1 1 10 10 GLN HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5690 1 109 . 1 1 10 10 GLN HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5690 1 110 . 1 1 10 10 GLN CG C 13 34.4 0.2 . 1 . . . . . . . . 5690 1 111 . 1 1 10 10 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5690 1 112 . 1 1 10 10 GLN HG3 H 1 2.57 0.02 . 2 . . . . . . . . 5690 1 113 . 1 1 10 10 GLN NE2 N 15 112.1 0.2 . 1 . . . . . . . . 5690 1 114 . 1 1 10 10 GLN HE21 H 1 7.57 0.02 . 2 . . . . . . . . 5690 1 115 . 1 1 10 10 GLN HE22 H 1 6.89 0.02 . 2 . . . . . . . . 5690 1 116 . 1 1 11 11 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 5690 1 117 . 1 1 11 11 PRO CA C 13 61.6 0.2 . 1 . . . . . . . . 5690 1 118 . 1 1 11 11 PRO HA H 1 4.55 0.02 . 1 . . . . . . . . 5690 1 119 . 1 1 11 11 PRO CB C 13 31.0 0.2 . 1 . . . . . . . . 5690 1 120 . 1 1 11 11 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5690 1 121 . 1 1 11 11 PRO HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5690 1 122 . 1 1 11 11 PRO CG C 13 28.1 0.2 . 1 . . . . . . . . 5690 1 123 . 1 1 11 11 PRO HG2 H 1 2.11 0.02 . 2 . . . . . . . . 5690 1 124 . 1 1 11 11 PRO HG3 H 1 1.98 0.02 . 2 . . . . . . . . 5690 1 125 . 1 1 11 11 PRO HD2 H 1 3.58 0.02 . 2 . . . . . . . . 5690 1 126 . 1 1 11 11 PRO HD3 H 1 3.77 0.02 . 2 . . . . . . . . 5690 1 127 . 1 1 12 12 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 5690 1 128 . 1 1 12 12 PRO CA C 13 63.6 0.2 . 1 . . . . . . . . 5690 1 129 . 1 1 12 12 PRO HA H 1 3.76 0.02 . 1 . . . . . . . . 5690 1 130 . 1 1 12 12 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5690 1 131 . 1 1 12 12 PRO HB2 H 1 1.78 0.02 . 1 . . . . . . . . 5690 1 132 . 1 1 12 12 PRO HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5690 1 133 . 1 1 12 12 PRO CG C 13 27.8 0.2 . 1 . . . . . . . . 5690 1 134 . 1 1 12 12 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 5690 1 135 . 1 1 12 12 PRO HG3 H 1 1.78 0.02 . 2 . . . . . . . . 5690 1 136 . 1 1 12 12 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 5690 1 137 . 1 1 12 12 PRO HD3 H 1 3.81 0.02 . 2 . . . . . . . . 5690 1 138 . 1 1 12 12 PRO C C 13 176.6 0.2 . 1 . . . . . . . . 5690 1 139 . 1 1 13 13 THR N N 15 113.3 0.2 . 1 . . . . . . . . 5690 1 140 . 1 1 13 13 THR H H 1 7.89 0.02 . 1 . . . . . . . . 5690 1 141 . 1 1 13 13 THR CA C 13 60.3 0.2 . 1 . . . . . . . . 5690 1 142 . 1 1 13 13 THR HA H 1 4.75 0.02 . 1 . . . . . . . . 5690 1 143 . 1 1 13 13 THR CB C 13 72.8 0.2 . 1 . . . . . . . . 5690 1 144 . 1 1 13 13 THR HB H 1 4.49 0.02 . 1 . . . . . . . . 5690 1 145 . 1 1 13 13 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5690 1 146 . 1 1 13 13 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5690 1 147 . 1 1 13 13 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5690 1 148 . 1 1 13 13 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 5690 1 149 . 1 1 13 13 THR C C 13 175.9 0.2 . 1 . . . . . . . . 5690 1 150 . 1 1 14 14 THR N N 15 116.6 0.2 . 1 . . . . . . . . 5690 1 151 . 1 1 14 14 THR H H 1 8.84 0.02 . 1 . . . . . . . . 5690 1 152 . 1 1 14 14 THR CA C 13 61.0 0.2 . 1 . . . . . . . . 5690 1 153 . 1 1 14 14 THR HA H 1 4.89 0.02 . 1 . . . . . . . . 5690 1 154 . 1 1 14 14 THR CB C 13 71.9 0.2 . 1 . . . . . . . . 5690 1 155 . 1 1 14 14 THR HB H 1 3.71 0.02 . 1 . . . . . . . . 5690 1 156 . 1 1 14 14 THR HG21 H 1 0.64 0.02 . 1 . . . . . . . . 5690 1 157 . 1 1 14 14 THR HG22 H 1 0.64 0.02 . 1 . . . . . . . . 5690 1 158 . 1 1 14 14 THR HG23 H 1 0.64 0.02 . 1 . . . . . . . . 5690 1 159 . 1 1 14 14 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 5690 1 160 . 1 1 14 14 THR C C 13 172.5 0.2 . 1 . . . . . . . . 5690 1 161 . 1 1 15 15 LYS N N 15 121.0 0.2 . 1 . . . . . . . . 5690 1 162 . 1 1 15 15 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 5690 1 163 . 1 1 15 15 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 5690 1 164 . 1 1 15 15 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 5690 1 165 . 1 1 15 15 LYS CB C 13 36.3 0.2 . 1 . . . . . . . . 5690 1 166 . 1 1 15 15 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 5690 1 167 . 1 1 15 15 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5690 1 168 . 1 1 15 15 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 5690 1 169 . 1 1 15 15 LYS HG2 H 1 1.22 0.02 . 1 . . . . . . . . 5690 1 170 . 1 1 15 15 LYS HG3 H 1 1.22 0.02 . 1 . . . . . . . . 5690 1 171 . 1 1 15 15 LYS CD C 13 29.3 0.2 . 1 . . . . . . . . 5690 1 172 . 1 1 15 15 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 5690 1 173 . 1 1 15 15 LYS HD3 H 1 1.70 0.02 . 2 . . . . . . . . 5690 1 174 . 1 1 15 15 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 5690 1 175 . 1 1 15 15 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 5690 1 176 . 1 1 15 15 LYS HE3 H 1 3.05 0.02 . 2 . . . . . . . . 5690 1 177 . 1 1 15 15 LYS C C 13 174.3 0.2 . 1 . . . . . . . . 5690 1 178 . 1 1 16 16 THR N N 15 119.7 0.2 . 1 . . . . . . . . 5690 1 179 . 1 1 16 16 THR H H 1 8.65 0.02 . 1 . . . . . . . . 5690 1 180 . 1 1 16 16 THR CA C 13 63.0 0.2 . 1 . . . . . . . . 5690 1 181 . 1 1 16 16 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5690 1 182 . 1 1 16 16 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 5690 1 183 . 1 1 16 16 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 5690 1 184 . 1 1 16 16 THR HG21 H 1 1.20 0.02 . 1 . . . . . . . . 5690 1 185 . 1 1 16 16 THR HG22 H 1 1.20 0.02 . 1 . . . . . . . . 5690 1 186 . 1 1 16 16 THR HG23 H 1 1.20 0.02 . 1 . . . . . . . . 5690 1 187 . 1 1 16 16 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5690 1 188 . 1 1 16 16 THR C C 13 174.5 0.2 . 1 . . . . . . . . 5690 1 189 . 1 1 17 17 CYS N N 15 126.5 0.2 . 1 . . . . . . . . 5690 1 190 . 1 1 17 17 CYS H H 1 8.76 0.02 . 1 . . . . . . . . 5690 1 191 . 1 1 17 17 CYS CA C 13 52.6 0.2 . 1 . . . . . . . . 5690 1 192 . 1 1 17 17 CYS HA H 1 4.86 0.02 . 1 . . . . . . . . 5690 1 193 . 1 1 17 17 CYS CB C 13 39.2 0.2 . 1 . . . . . . . . 5690 1 194 . 1 1 17 17 CYS HB2 H 1 3.45 0.02 . 2 . . . . . . . . 5690 1 195 . 1 1 17 17 CYS HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5690 1 196 . 1 1 17 17 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 5690 1 197 . 1 1 18 18 SER N N 15 119.9 0.2 . 1 . . . . . . . . 5690 1 198 . 1 1 18 18 SER H H 1 8.81 0.02 . 1 . . . . . . . . 5690 1 199 . 1 1 18 18 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 5690 1 200 . 1 1 18 18 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 5690 1 201 . 1 1 18 18 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 5690 1 202 . 1 1 18 18 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 5690 1 203 . 1 1 18 18 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 5690 1 204 . 1 1 18 18 SER C C 13 175.1 0.2 . 1 . . . . . . . . 5690 1 205 . 1 1 19 19 GLY N N 15 112.5 0.2 . 1 . . . . . . . . 5690 1 206 . 1 1 19 19 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5690 1 207 . 1 1 19 19 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5690 1 208 . 1 1 19 19 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 5690 1 209 . 1 1 19 19 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 5690 1 210 . 1 1 19 19 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5690 1 211 . 1 1 20 20 GLU N N 15 117.5 0.2 . 1 . . . . . . . . 5690 1 212 . 1 1 20 20 GLU H H 1 7.65 0.02 . 1 . . . . . . . . 5690 1 213 . 1 1 20 20 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5690 1 214 . 1 1 20 20 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5690 1 215 . 1 1 20 20 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 5690 1 216 . 1 1 20 20 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5690 1 217 . 1 1 20 20 GLU HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5690 1 218 . 1 1 20 20 GLU CG C 13 34.2 0.2 . 1 . . . . . . . . 5690 1 219 . 1 1 20 20 GLU HG2 H 1 2.39 0.02 . 1 . . . . . . . . 5690 1 220 . 1 1 20 20 GLU HG3 H 1 2.39 0.02 . 1 . . . . . . . . 5690 1 221 . 1 1 20 20 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 5690 1 222 . 1 1 21 21 THR N N 15 109.7 0.2 . 1 . . . . . . . . 5690 1 223 . 1 1 21 21 THR H H 1 8.64 0.02 . 1 . . . . . . . . 5690 1 224 . 1 1 21 21 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 5690 1 225 . 1 1 21 21 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 5690 1 226 . 1 1 21 21 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 5690 1 227 . 1 1 21 21 THR HB H 1 4.39 0.02 . 1 . . . . . . . . 5690 1 228 . 1 1 21 21 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5690 1 229 . 1 1 21 21 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5690 1 230 . 1 1 21 21 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5690 1 231 . 1 1 21 21 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 5690 1 232 . 1 1 21 21 THR C C 13 173.8 0.2 . 1 . . . . . . . . 5690 1 233 . 1 1 22 22 ASN N N 15 118.5 0.2 . 1 . . . . . . . . 5690 1 234 . 1 1 22 22 ASN H H 1 7.68 0.02 . 1 . . . . . . . . 5690 1 235 . 1 1 22 22 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 5690 1 236 . 1 1 22 22 ASN HA H 1 5.43 0.02 . 1 . . . . . . . . 5690 1 237 . 1 1 22 22 ASN CB C 13 44.6 0.2 . 1 . . . . . . . . 5690 1 238 . 1 1 22 22 ASN HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5690 1 239 . 1 1 22 22 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5690 1 240 . 1 1 22 22 ASN ND2 N 15 111.4 0.2 . 1 . . . . . . . . 5690 1 241 . 1 1 22 22 ASN HD21 H 1 7.15 0.02 . 2 . . . . . . . . 5690 1 242 . 1 1 22 22 ASN HD22 H 1 6.75 0.02 . 2 . . . . . . . . 5690 1 243 . 1 1 22 22 ASN C C 13 173.7 0.2 . 1 . . . . . . . . 5690 1 244 . 1 1 23 23 CYS N N 15 116.1 0.2 . 1 . . . . . . . . 5690 1 245 . 1 1 23 23 CYS H H 1 9.27 0.02 . 1 . . . . . . . . 5690 1 246 . 1 1 23 23 CYS CA C 13 52.6 0.2 . 1 . . . . . . . . 5690 1 247 . 1 1 23 23 CYS HA H 1 5.61 0.02 . 1 . . . . . . . . 5690 1 248 . 1 1 23 23 CYS CB C 13 39.7 0.2 . 1 . . . . . . . . 5690 1 249 . 1 1 23 23 CYS HB2 H 1 2.76 0.02 . 2 . . . . . . . . 5690 1 250 . 1 1 23 23 CYS HB3 H 1 3.28 0.02 . 2 . . . . . . . . 5690 1 251 . 1 1 23 23 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 5690 1 252 . 1 1 24 24 TYR N N 15 113.6 0.2 . 1 . . . . . . . . 5690 1 253 . 1 1 24 24 TYR H H 1 8.74 0.02 . 1 . . . . . . . . 5690 1 254 . 1 1 24 24 TYR CA C 13 56.3 0.2 . 1 . . . . . . . . 5690 1 255 . 1 1 24 24 TYR HA H 1 6.22 0.02 . 1 . . . . . . . . 5690 1 256 . 1 1 24 24 TYR CB C 13 42.0 0.2 . 1 . . . . . . . . 5690 1 257 . 1 1 24 24 TYR HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5690 1 258 . 1 1 24 24 TYR HB3 H 1 3.84 0.02 . 2 . . . . . . . . 5690 1 259 . 1 1 24 24 TYR CD1 C 13 134.0 0.2 . 1 . . . . . . . . 5690 1 260 . 1 1 24 24 TYR HD1 H 1 6.71 0.02 . 1 . . . . . . . . 5690 1 261 . 1 1 24 24 TYR CE1 C 13 117.1 0.2 . 1 . . . . . . . . 5690 1 262 . 1 1 24 24 TYR HE1 H 1 6.54 0.02 . 1 . . . . . . . . 5690 1 263 . 1 1 24 24 TYR CE2 C 13 117.1 0.2 . 1 . . . . . . . . 5690 1 264 . 1 1 24 24 TYR HE2 H 1 6.54 0.02 . 1 . . . . . . . . 5690 1 265 . 1 1 24 24 TYR CD2 C 13 134.0 0.2 . 1 . . . . . . . . 5690 1 266 . 1 1 24 24 TYR HD2 H 1 6.71 0.02 . 1 . . . . . . . . 5690 1 267 . 1 1 24 24 TYR C C 13 175.4 0.2 . 1 . . . . . . . . 5690 1 268 . 1 1 25 25 LYS N N 15 125.5 0.2 . 1 . . . . . . . . 5690 1 269 . 1 1 25 25 LYS H H 1 9.13 0.02 . 1 . . . . . . . . 5690 1 270 . 1 1 25 25 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 5690 1 271 . 1 1 25 25 LYS HA H 1 5.14 0.02 . 1 . . . . . . . . 5690 1 272 . 1 1 25 25 LYS CB C 13 37.4 0.2 . 1 . . . . . . . . 5690 1 273 . 1 1 25 25 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5690 1 274 . 1 1 25 25 LYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5690 1 275 . 1 1 25 25 LYS CG C 13 26.0 0.2 . 1 . . . . . . . . 5690 1 276 . 1 1 25 25 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 5690 1 277 . 1 1 25 25 LYS HG3 H 1 1.29 0.02 . 1 . . . . . . . . 5690 1 278 . 1 1 25 25 LYS CD C 13 29.8 0.2 . 1 . . . . . . . . 5690 1 279 . 1 1 25 25 LYS HD2 H 1 1.37 0.02 . 2 . . . . . . . . 5690 1 280 . 1 1 25 25 LYS HD3 H 1 1.40 0.02 . 2 . . . . . . . . 5690 1 281 . 1 1 25 25 LYS CE C 13 41.5 0.2 . 1 . . . . . . . . 5690 1 282 . 1 1 25 25 LYS HE2 H 1 2.36 0.02 . 1 . . . . . . . . 5690 1 283 . 1 1 25 25 LYS HE3 H 1 2.36 0.02 . 1 . . . . . . . . 5690 1 284 . 1 1 25 25 LYS C C 13 173.3 0.2 . 1 . . . . . . . . 5690 1 285 . 1 1 26 26 LYS N N 15 129.2 0.2 . 1 . . . . . . . . 5690 1 286 . 1 1 26 26 LYS H H 1 10.00 0.02 . 1 . . . . . . . . 5690 1 287 . 1 1 26 26 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 5690 1 288 . 1 1 26 26 LYS HA H 1 5.98 0.02 . 1 . . . . . . . . 5690 1 289 . 1 1 26 26 LYS CB C 13 37.7 0.2 . 1 . . . . . . . . 5690 1 290 . 1 1 26 26 LYS HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5690 1 291 . 1 1 26 26 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5690 1 292 . 1 1 26 26 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 5690 1 293 . 1 1 26 26 LYS HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5690 1 294 . 1 1 26 26 LYS HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5690 1 295 . 1 1 26 26 LYS CD C 13 30.6 0.2 . 1 . . . . . . . . 5690 1 296 . 1 1 26 26 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 5690 1 297 . 1 1 26 26 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 5690 1 298 . 1 1 26 26 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 5690 1 299 . 1 1 26 26 LYS HE2 H 1 2.73 0.02 . 1 . . . . . . . . 5690 1 300 . 1 1 26 26 LYS HE3 H 1 2.73 0.02 . 1 . . . . . . . . 5690 1 301 . 1 1 26 26 LYS C C 13 174.6 0.2 . 1 . . . . . . . . 5690 1 302 . 1 1 27 27 TRP N N 15 123.0 0.2 . 1 . . . . . . . . 5690 1 303 . 1 1 27 27 TRP H H 1 9.13 0.02 . 1 . . . . . . . . 5690 1 304 . 1 1 27 27 TRP CA C 13 57.1 0.2 . 1 . . . . . . . . 5690 1 305 . 1 1 27 27 TRP HA H 1 6.18 0.02 . 1 . . . . . . . . 5690 1 306 . 1 1 27 27 TRP CB C 13 34.3 0.2 . 1 . . . . . . . . 5690 1 307 . 1 1 27 27 TRP HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5690 1 308 . 1 1 27 27 TRP HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5690 1 309 . 1 1 27 27 TRP CD1 C 13 127.1 0.2 . 1 . . . . . . . . 5690 1 310 . 1 1 27 27 TRP CE3 C 13 121.6 0.2 . 1 . . . . . . . . 5690 1 311 . 1 1 27 27 TRP NE1 N 15 130.9 0.2 . 1 . . . . . . . . 5690 1 312 . 1 1 27 27 TRP HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5690 1 313 . 1 1 27 27 TRP HE3 H 1 7.17 0.02 . 1 . . . . . . . . 5690 1 314 . 1 1 27 27 TRP CZ3 C 13 121.9 0.2 . 1 . . . . . . . . 5690 1 315 . 1 1 27 27 TRP CZ2 C 13 115.0 0.2 . 1 . . . . . . . . 5690 1 316 . 1 1 27 27 TRP HE1 H 1 10.33 0.02 . 1 . . . . . . . . 5690 1 317 . 1 1 27 27 TRP HZ3 H 1 6.86 0.02 . 1 . . . . . . . . 5690 1 318 . 1 1 27 27 TRP CH2 C 13 124.6 0.2 . 1 . . . . . . . . 5690 1 319 . 1 1 27 27 TRP HZ2 H 1 7.42 0.02 . 1 . . . . . . . . 5690 1 320 . 1 1 27 27 TRP HH2 H 1 7.13 0.02 . 1 . . . . . . . . 5690 1 321 . 1 1 27 27 TRP C C 13 173.6 0.2 . 1 . . . . . . . . 5690 1 322 . 1 1 28 28 TRP N N 15 120.5 0.2 . 1 . . . . . . . . 5690 1 323 . 1 1 28 28 TRP H H 1 8.68 0.02 . 1 . . . . . . . . 5690 1 324 . 1 1 28 28 TRP CA C 13 57.0 0.2 . 1 . . . . . . . . 5690 1 325 . 1 1 28 28 TRP HA H 1 5.03 0.02 . 1 . . . . . . . . 5690 1 326 . 1 1 28 28 TRP CB C 13 31.7 0.2 . 1 . . . . . . . . 5690 1 327 . 1 1 28 28 TRP HB2 H 1 3.62 0.02 . 2 . . . . . . . . 5690 1 328 . 1 1 28 28 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5690 1 329 . 1 1 28 28 TRP CD1 C 13 127.3 0.2 . 1 . . . . . . . . 5690 1 330 . 1 1 28 28 TRP CE3 C 13 121.1 0.2 . 1 . . . . . . . . 5690 1 331 . 1 1 28 28 TRP NE1 N 15 130.1 0.2 . 1 . . . . . . . . 5690 1 332 . 1 1 28 28 TRP HD1 H 1 7.00 0.02 . 1 . . . . . . . . 5690 1 333 . 1 1 28 28 TRP HE3 H 1 7.20 0.02 . 1 . . . . . . . . 5690 1 334 . 1 1 28 28 TRP CZ3 C 13 120.7 0.2 . 1 . . . . . . . . 5690 1 335 . 1 1 28 28 TRP CZ2 C 13 115.3 0.2 . 1 . . . . . . . . 5690 1 336 . 1 1 28 28 TRP HE1 H 1 10.25 0.02 . 1 . . . . . . . . 5690 1 337 . 1 1 28 28 TRP HZ3 H 1 6.71 0.02 . 1 . . . . . . . . 5690 1 338 . 1 1 28 28 TRP CH2 C 13 124.0 0.2 . 1 . . . . . . . . 5690 1 339 . 1 1 28 28 TRP HZ2 H 1 7.40 0.02 . 1 . . . . . . . . 5690 1 340 . 1 1 28 28 TRP HH2 H 1 7.09 0.02 . 1 . . . . . . . . 5690 1 341 . 1 1 28 28 TRP C C 13 172.8 0.2 . 1 . . . . . . . . 5690 1 342 . 1 1 29 29 SER N N 15 113.9 0.2 . 1 . . . . . . . . 5690 1 343 . 1 1 29 29 SER H H 1 8.60 0.02 . 1 . . . . . . . . 5690 1 344 . 1 1 29 29 SER CA C 13 57.3 0.2 . 1 . . . . . . . . 5690 1 345 . 1 1 29 29 SER HA H 1 5.20 0.02 . 1 . . . . . . . . 5690 1 346 . 1 1 29 29 SER CB C 13 65.1 0.2 . 1 . . . . . . . . 5690 1 347 . 1 1 29 29 SER HB2 H 1 3.74 0.02 . 2 . . . . . . . . 5690 1 348 . 1 1 29 29 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 5690 1 349 . 1 1 29 29 SER C C 13 173.9 0.2 . 1 . . . . . . . . 5690 1 350 . 1 1 30 30 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 5690 1 351 . 1 1 30 30 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 5690 1 352 . 1 1 30 30 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 5690 1 353 . 1 1 30 30 ASP HA H 1 4.88 0.02 . 1 . . . . . . . . 5690 1 354 . 1 1 30 30 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 5690 1 355 . 1 1 30 30 ASP HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5690 1 356 . 1 1 30 30 ASP HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5690 1 357 . 1 1 30 30 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 5690 1 358 . 1 1 31 31 HIS N N 15 117.4 0.2 . 1 . . . . . . . . 5690 1 359 . 1 1 31 31 HIS H H 1 8.83 0.02 . 1 . . . . . . . . 5690 1 360 . 1 1 31 31 HIS CA C 13 58.6 0.2 . 1 . . . . . . . . 5690 1 361 . 1 1 31 31 HIS HA H 1 4.36 0.02 . 1 . . . . . . . . 5690 1 362 . 1 1 31 31 HIS CB C 13 27.5 0.2 . 1 . . . . . . . . 5690 1 363 . 1 1 31 31 HIS HB2 H 1 3.36 0.02 . 1 . . . . . . . . 5690 1 364 . 1 1 31 31 HIS HB3 H 1 3.36 0.02 . 1 . . . . . . . . 5690 1 365 . 1 1 31 31 HIS CD2 C 13 119.9 0.2 . 1 . . . . . . . . 5690 1 366 . 1 1 31 31 HIS CE1 C 13 136.3 0.2 . 1 . . . . . . . . 5690 1 367 . 1 1 31 31 HIS HD2 H 1 7.33 0.02 . 1 . . . . . . . . 5690 1 368 . 1 1 31 31 HIS HE1 H 1 8.63 0.02 . 1 . . . . . . . . 5690 1 369 . 1 1 31 31 HIS C C 13 175.2 0.2 . 1 . . . . . . . . 5690 1 370 . 1 1 32 32 ARG N N 15 117.2 0.2 . 1 . . . . . . . . 5690 1 371 . 1 1 32 32 ARG H H 1 8.57 0.02 . 1 . . . . . . . . 5690 1 372 . 1 1 32 32 ARG CA C 13 56.7 0.2 . 1 . . . . . . . . 5690 1 373 . 1 1 32 32 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 5690 1 374 . 1 1 32 32 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 5690 1 375 . 1 1 32 32 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5690 1 376 . 1 1 32 32 ARG HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5690 1 377 . 1 1 32 32 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5690 1 378 . 1 1 32 32 ARG HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5690 1 379 . 1 1 32 32 ARG HG3 H 1 1.55 0.02 . 2 . . . . . . . . 5690 1 380 . 1 1 32 32 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 5690 1 381 . 1 1 32 32 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 5690 1 382 . 1 1 32 32 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 5690 1 383 . 1 1 32 32 ARG NE N 15 84.2 0.2 . 1 . . . . . . . . 5690 1 384 . 1 1 32 32 ARG HE H 1 7.31 0.02 . 1 . . . . . . . . 5690 1 385 . 1 1 32 32 ARG CZ C 13 159.8 0.2 . 1 . . . . . . . . 5690 1 386 . 1 1 32 32 ARG C C 13 175.9 0.2 . 1 . . . . . . . . 5690 1 387 . 1 1 33 33 GLY N N 15 108.4 0.2 . 1 . . . . . . . . 5690 1 388 . 1 1 33 33 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 5690 1 389 . 1 1 33 33 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 5690 1 390 . 1 1 33 33 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5690 1 391 . 1 1 33 33 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 5690 1 392 . 1 1 33 33 GLY C C 13 172.3 0.2 . 1 . . . . . . . . 5690 1 393 . 1 1 34 34 THR N N 15 117.4 0.2 . 1 . . . . . . . . 5690 1 394 . 1 1 34 34 THR H H 1 8.35 0.02 . 1 . . . . . . . . 5690 1 395 . 1 1 34 34 THR CA C 13 62.4 0.2 . 1 . . . . . . . . 5690 1 396 . 1 1 34 34 THR HA H 1 4.67 0.02 . 1 . . . . . . . . 5690 1 397 . 1 1 34 34 THR CB C 13 70.3 0.2 . 1 . . . . . . . . 5690 1 398 . 1 1 34 34 THR HB H 1 3.79 0.02 . 1 . . . . . . . . 5690 1 399 . 1 1 34 34 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 5690 1 400 . 1 1 34 34 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 5690 1 401 . 1 1 34 34 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 5690 1 402 . 1 1 34 34 THR CG2 C 13 21.5 0.2 . 1 . . . . . . . . 5690 1 403 . 1 1 34 34 THR C C 13 173.6 0.2 . 1 . . . . . . . . 5690 1 404 . 1 1 35 35 ILE N N 15 130.9 0.2 . 1 . . . . . . . . 5690 1 405 . 1 1 35 35 ILE H H 1 8.65 0.02 . 1 . . . . . . . . 5690 1 406 . 1 1 35 35 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 5690 1 407 . 1 1 35 35 ILE HA H 1 3.88 0.02 . 1 . . . . . . . . 5690 1 408 . 1 1 35 35 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 5690 1 409 . 1 1 35 35 ILE HB H 1 0.12 0.02 . 1 . . . . . . . . 5690 1 410 . 1 1 35 35 ILE HG21 H 1 0.30 0.02 . 1 . . . . . . . . 5690 1 411 . 1 1 35 35 ILE HG22 H 1 0.30 0.02 . 1 . . . . . . . . 5690 1 412 . 1 1 35 35 ILE HG23 H 1 0.30 0.02 . 1 . . . . . . . . 5690 1 413 . 1 1 35 35 ILE CG2 C 13 18.3 0.2 . 1 . . . . . . . . 5690 1 414 . 1 1 35 35 ILE CG1 C 13 27.6 0.2 . 1 . . . . . . . . 5690 1 415 . 1 1 35 35 ILE HG12 H 1 0.77 0.02 . 2 . . . . . . . . 5690 1 416 . 1 1 35 35 ILE HG13 H 1 1.03 0.02 . 2 . . . . . . . . 5690 1 417 . 1 1 35 35 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 5690 1 418 . 1 1 35 35 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 5690 1 419 . 1 1 35 35 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 5690 1 420 . 1 1 35 35 ILE CD1 C 13 12.1 0.2 . 1 . . . . . . . . 5690 1 421 . 1 1 35 35 ILE C C 13 173.8 0.2 . 1 . . . . . . . . 5690 1 422 . 1 1 36 36 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 5690 1 423 . 1 1 36 36 ILE H H 1 7.52 0.02 . 1 . . . . . . . . 5690 1 424 . 1 1 36 36 ILE CA C 13 59.7 0.2 . 1 . . . . . . . . 5690 1 425 . 1 1 36 36 ILE HA H 1 5.13 0.02 . 1 . . . . . . . . 5690 1 426 . 1 1 36 36 ILE CB C 13 42.0 0.2 . 1 . . . . . . . . 5690 1 427 . 1 1 36 36 ILE HB H 1 1.38 0.02 . 1 . . . . . . . . 5690 1 428 . 1 1 36 36 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5690 1 429 . 1 1 36 36 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5690 1 430 . 1 1 36 36 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5690 1 431 . 1 1 36 36 ILE CG2 C 13 18.8 0.2 . 1 . . . . . . . . 5690 1 432 . 1 1 36 36 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 5690 1 433 . 1 1 36 36 ILE HG12 H 1 0.83 0.02 . 2 . . . . . . . . 5690 1 434 . 1 1 36 36 ILE HG13 H 1 1.47 0.02 . 2 . . . . . . . . 5690 1 435 . 1 1 36 36 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5690 1 436 . 1 1 36 36 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5690 1 437 . 1 1 36 36 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5690 1 438 . 1 1 36 36 ILE CD1 C 13 14.3 0.2 . 1 . . . . . . . . 5690 1 439 . 1 1 36 36 ILE C C 13 175.6 0.2 . 1 . . . . . . . . 5690 1 440 . 1 1 37 37 GLU N N 15 127.5 0.2 . 1 . . . . . . . . 5690 1 441 . 1 1 37 37 GLU H H 1 9.86 0.02 . 1 . . . . . . . . 5690 1 442 . 1 1 37 37 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 5690 1 443 . 1 1 37 37 GLU HA H 1 4.94 0.02 . 1 . . . . . . . . 5690 1 444 . 1 1 37 37 GLU CB C 13 33.0 0.2 . 1 . . . . . . . . 5690 1 445 . 1 1 37 37 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5690 1 446 . 1 1 37 37 GLU HB3 H 1 2.40 0.02 . 2 . . . . . . . . 5690 1 447 . 1 1 37 37 GLU CG C 13 34.8 0.2 . 1 . . . . . . . . 5690 1 448 . 1 1 37 37 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 5690 1 449 . 1 1 37 37 GLU HG3 H 1 2.57 0.02 . 2 . . . . . . . . 5690 1 450 . 1 1 37 37 GLU C C 13 174.1 0.2 . 1 . . . . . . . . 5690 1 451 . 1 1 38 38 ARG N N 15 122.9 0.2 . 1 . . . . . . . . 5690 1 452 . 1 1 38 38 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 5690 1 453 . 1 1 38 38 ARG CA C 13 53.9 0.2 . 1 . . . . . . . . 5690 1 454 . 1 1 38 38 ARG HA H 1 4.83 0.02 . 1 . . . . . . . . 5690 1 455 . 1 1 38 38 ARG CB C 13 34.9 0.2 . 1 . . . . . . . . 5690 1 456 . 1 1 38 38 ARG HB2 H 1 1.13 0.02 . 2 . . . . . . . . 5690 1 457 . 1 1 38 38 ARG HB3 H 1 1.42 0.02 . 2 . . . . . . . . 5690 1 458 . 1 1 38 38 ARG CG C 13 29.0 0.2 . 1 . . . . . . . . 5690 1 459 . 1 1 38 38 ARG HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5690 1 460 . 1 1 38 38 ARG HG3 H 1 1.57 0.02 . 2 . . . . . . . . 5690 1 461 . 1 1 38 38 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 5690 1 462 . 1 1 38 38 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . 5690 1 463 . 1 1 38 38 ARG HD3 H 1 3.07 0.02 . 2 . . . . . . . . 5690 1 464 . 1 1 38 38 ARG NE N 15 83.8 0.2 . 1 . . . . . . . . 5690 1 465 . 1 1 38 38 ARG HE H 1 7.07 0.02 . 1 . . . . . . . . 5690 1 466 . 1 1 38 38 ARG CZ C 13 159.7 0.2 . 1 . . . . . . . . 5690 1 467 . 1 1 38 38 ARG C C 13 175.0 0.2 . 1 . . . . . . . . 5690 1 468 . 1 1 39 39 GLY N N 15 104.2 0.2 . 1 . . . . . . . . 5690 1 469 . 1 1 39 39 GLY H H 1 6.26 0.02 . 1 . . . . . . . . 5690 1 470 . 1 1 39 39 GLY CA C 13 46.3 0.2 . 1 . . . . . . . . 5690 1 471 . 1 1 39 39 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 5690 1 472 . 1 1 39 39 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 5690 1 473 . 1 1 39 39 GLY C C 13 171.9 0.2 . 1 . . . . . . . . 5690 1 474 . 1 1 40 40 CYS N N 15 118.7 0.2 . 1 . . . . . . . . 5690 1 475 . 1 1 40 40 CYS H H 1 8.72 0.02 . 1 . . . . . . . . 5690 1 476 . 1 1 40 40 CYS CA C 13 56.0 0.2 . 1 . . . . . . . . 5690 1 477 . 1 1 40 40 CYS HA H 1 5.18 0.02 . 1 . . . . . . . . 5690 1 478 . 1 1 40 40 CYS CB C 13 43.9 0.2 . 1 . . . . . . . . 5690 1 479 . 1 1 40 40 CYS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5690 1 480 . 1 1 40 40 CYS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5690 1 481 . 1 1 40 40 CYS C C 13 175.0 0.2 . 1 . . . . . . . . 5690 1 482 . 1 1 41 41 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5690 1 483 . 1 1 41 41 GLY H H 1 9.24 0.02 . 1 . . . . . . . . 5690 1 484 . 1 1 41 41 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5690 1 485 . 1 1 41 41 GLY HA2 H 1 3.71 0.02 . 2 . . . . . . . . 5690 1 486 . 1 1 41 41 GLY HA3 H 1 4.27 0.02 . 2 . . . . . . . . 5690 1 487 . 1 1 41 41 GLY C C 13 170.7 0.2 . 1 . . . . . . . . 5690 1 488 . 1 1 42 42 CYS N N 15 113.0 0.2 . 1 . . . . . . . . 5690 1 489 . 1 1 42 42 CYS H H 1 8.04 0.02 . 1 . . . . . . . . 5690 1 490 . 1 1 42 42 CYS CA C 13 53.3 0.2 . 1 . . . . . . . . 5690 1 491 . 1 1 42 42 CYS HA H 1 5.09 0.02 . 1 . . . . . . . . 5690 1 492 . 1 1 42 42 CYS CB C 13 38.0 0.2 . 1 . . . . . . . . 5690 1 493 . 1 1 42 42 CYS HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5690 1 494 . 1 1 42 42 CYS HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5690 1 495 . 1 1 43 43 PRO CD C 13 50.5 0.2 . 1 . . . . . . . . 5690 1 496 . 1 1 43 43 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5690 1 497 . 1 1 43 43 PRO HA H 1 4.28 0.02 . 1 . . . . . . . . 5690 1 498 . 1 1 43 43 PRO CB C 13 32.4 0.2 . 1 . . . . . . . . 5690 1 499 . 1 1 43 43 PRO HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5690 1 500 . 1 1 43 43 PRO HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5690 1 501 . 1 1 43 43 PRO CG C 13 25.3 0.2 . 1 . . . . . . . . 5690 1 502 . 1 1 43 43 PRO HG2 H 1 1.00 0.02 . 2 . . . . . . . . 5690 1 503 . 1 1 43 43 PRO HG3 H 1 0.76 0.02 . 2 . . . . . . . . 5690 1 504 . 1 1 43 43 PRO HD2 H 1 2.77 0.02 . 2 . . . . . . . . 5690 1 505 . 1 1 43 43 PRO HD3 H 1 2.93 0.02 . 2 . . . . . . . . 5690 1 506 . 1 1 43 43 PRO C C 13 174.4 0.2 . 1 . . . . . . . . 5690 1 507 . 1 1 44 44 LYS N N 15 116.9 0.2 . 1 . . . . . . . . 5690 1 508 . 1 1 44 44 LYS H H 1 7.77 0.02 . 1 . . . . . . . . 5690 1 509 . 1 1 44 44 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 5690 1 510 . 1 1 44 44 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 5690 1 511 . 1 1 44 44 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 5690 1 512 . 1 1 44 44 LYS HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5690 1 513 . 1 1 44 44 LYS HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5690 1 514 . 1 1 44 44 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 5690 1 515 . 1 1 44 44 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5690 1 516 . 1 1 44 44 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5690 1 517 . 1 1 44 44 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 5690 1 518 . 1 1 44 44 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5690 1 519 . 1 1 44 44 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5690 1 520 . 1 1 44 44 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 5690 1 521 . 1 1 44 44 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5690 1 522 . 1 1 44 44 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5690 1 523 . 1 1 44 44 LYS C C 13 177.4 0.2 . 1 . . . . . . . . 5690 1 524 . 1 1 45 45 VAL N N 15 116.9 0.2 . 1 . . . . . . . . 5690 1 525 . 1 1 45 45 VAL H H 1 8.16 0.02 . 1 . . . . . . . . 5690 1 526 . 1 1 45 45 VAL CA C 13 59.3 0.2 . 1 . . . . . . . . 5690 1 527 . 1 1 45 45 VAL HA H 1 4.43 0.02 . 1 . . . . . . . . 5690 1 528 . 1 1 45 45 VAL CB C 13 34.9 0.2 . 1 . . . . . . . . 5690 1 529 . 1 1 45 45 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5690 1 530 . 1 1 45 45 VAL HG11 H 1 0.69 0.02 . 2 . . . . . . . . 5690 1 531 . 1 1 45 45 VAL HG12 H 1 0.69 0.02 . 2 . . . . . . . . 5690 1 532 . 1 1 45 45 VAL HG13 H 1 0.69 0.02 . 2 . . . . . . . . 5690 1 533 . 1 1 45 45 VAL HG21 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 534 . 1 1 45 45 VAL HG22 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 535 . 1 1 45 45 VAL HG23 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 536 . 1 1 45 45 VAL CG1 C 13 18.8 0.2 . 1 . . . . . . . . 5690 1 537 . 1 1 45 45 VAL CG2 C 13 22.7 0.2 . 1 . . . . . . . . 5690 1 538 . 1 1 45 45 VAL C C 13 175.1 0.2 . 1 . . . . . . . . 5690 1 539 . 1 1 46 46 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5690 1 540 . 1 1 46 46 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 5690 1 541 . 1 1 46 46 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 5690 1 542 . 1 1 46 46 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5690 1 543 . 1 1 46 46 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 5690 1 544 . 1 1 46 46 LYS HB2 H 1 1.47 0.02 . 2 . . . . . . . . 5690 1 545 . 1 1 46 46 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5690 1 546 . 1 1 46 46 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 5690 1 547 . 1 1 46 46 LYS HG2 H 1 1.32 0.02 . 1 . . . . . . . . 5690 1 548 . 1 1 46 46 LYS HG3 H 1 1.32 0.02 . 1 . . . . . . . . 5690 1 549 . 1 1 46 46 LYS CD C 13 28.9 0.2 . 1 . . . . . . . . 5690 1 550 . 1 1 46 46 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5690 1 551 . 1 1 46 46 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5690 1 552 . 1 1 46 46 LYS CE C 13 41.7 0.2 . 1 . . . . . . . . 5690 1 553 . 1 1 46 46 LYS HE2 H 1 2.80 0.02 . 1 . . . . . . . . 5690 1 554 . 1 1 46 46 LYS HE3 H 1 2.80 0.02 . 1 . . . . . . . . 5690 1 555 . 1 1 47 47 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 5690 1 556 . 1 1 47 47 PRO CA C 13 64.0 0.2 . 1 . . . . . . . . 5690 1 557 . 1 1 47 47 PRO HA H 1 4.25 0.02 . 1 . . . . . . . . 5690 1 558 . 1 1 47 47 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 5690 1 559 . 1 1 47 47 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5690 1 560 . 1 1 47 47 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5690 1 561 . 1 1 47 47 PRO CG C 13 27.9 0.2 . 1 . . . . . . . . 5690 1 562 . 1 1 47 47 PRO HG2 H 1 1.94 0.02 . 2 . . . . . . . . 5690 1 563 . 1 1 47 47 PRO HG3 H 1 2.05 0.02 . 2 . . . . . . . . 5690 1 564 . 1 1 47 47 PRO HD2 H 1 3.48 0.02 . 2 . . . . . . . . 5690 1 565 . 1 1 47 47 PRO HD3 H 1 3.75 0.02 . 2 . . . . . . . . 5690 1 566 . 1 1 47 47 PRO C C 13 177.3 0.2 . 1 . . . . . . . . 5690 1 567 . 1 1 48 48 GLY N N 15 112.1 0.2 . 1 . . . . . . . . 5690 1 568 . 1 1 48 48 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5690 1 569 . 1 1 48 48 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5690 1 570 . 1 1 48 48 GLY HA2 H 1 3.55 0.02 . 2 . . . . . . . . 5690 1 571 . 1 1 48 48 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 5690 1 572 . 1 1 48 48 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 5690 1 573 . 1 1 49 49 VAL N N 15 121.2 0.2 . 1 . . . . . . . . 5690 1 574 . 1 1 49 49 VAL H H 1 7.58 0.02 . 1 . . . . . . . . 5690 1 575 . 1 1 49 49 VAL CA C 13 61.9 0.2 . 1 . . . . . . . . 5690 1 576 . 1 1 49 49 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 5690 1 577 . 1 1 49 49 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 5690 1 578 . 1 1 49 49 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5690 1 579 . 1 1 49 49 VAL HG11 H 1 0.48 0.02 . 2 . . . . . . . . 5690 1 580 . 1 1 49 49 VAL HG12 H 1 0.48 0.02 . 2 . . . . . . . . 5690 1 581 . 1 1 49 49 VAL HG13 H 1 0.48 0.02 . 2 . . . . . . . . 5690 1 582 . 1 1 49 49 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5690 1 583 . 1 1 49 49 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5690 1 584 . 1 1 49 49 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5690 1 585 . 1 1 49 49 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5690 1 586 . 1 1 49 49 VAL CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5690 1 587 . 1 1 49 49 VAL C C 13 174.6 0.2 . 1 . . . . . . . . 5690 1 588 . 1 1 50 50 ASN N N 15 124.6 0.2 . 1 . . . . . . . . 5690 1 589 . 1 1 50 50 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 5690 1 590 . 1 1 50 50 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 5690 1 591 . 1 1 50 50 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5690 1 592 . 1 1 50 50 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 5690 1 593 . 1 1 50 50 ASN HB2 H 1 0.67 0.02 . 2 . . . . . . . . 5690 1 594 . 1 1 50 50 ASN HB3 H 1 0.77 0.02 . 2 . . . . . . . . 5690 1 595 . 1 1 50 50 ASN ND2 N 15 113.9 0.2 . 1 . . . . . . . . 5690 1 596 . 1 1 50 50 ASN HD21 H 1 6.91 0.02 . 2 . . . . . . . . 5690 1 597 . 1 1 50 50 ASN HD22 H 1 6.01 0.02 . 2 . . . . . . . . 5690 1 598 . 1 1 50 50 ASN C C 13 172.6 0.2 . 1 . . . . . . . . 5690 1 599 . 1 1 51 51 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 5690 1 600 . 1 1 51 51 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 5690 1 601 . 1 1 51 51 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 5690 1 602 . 1 1 51 51 LEU HA H 1 5.23 0.02 . 1 . . . . . . . . 5690 1 603 . 1 1 51 51 LEU CB C 13 47.2 0.2 . 1 . . . . . . . . 5690 1 604 . 1 1 51 51 LEU HB2 H 1 1.22 0.02 . 2 . . . . . . . . 5690 1 605 . 1 1 51 51 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5690 1 606 . 1 1 51 51 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 5690 1 607 . 1 1 51 51 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5690 1 608 . 1 1 51 51 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 5690 1 609 . 1 1 51 51 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 5690 1 610 . 1 1 51 51 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 5690 1 611 . 1 1 51 51 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5690 1 612 . 1 1 51 51 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5690 1 613 . 1 1 51 51 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5690 1 614 . 1 1 51 51 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 5690 1 615 . 1 1 51 51 LEU CD2 C 13 27.4 0.2 . 1 . . . . . . . . 5690 1 616 . 1 1 51 51 LEU C C 13 175.4 0.2 . 1 . . . . . . . . 5690 1 617 . 1 1 52 52 ASN N N 15 124.7 0.2 . 1 . . . . . . . . 5690 1 618 . 1 1 52 52 ASN H H 1 9.42 0.02 . 1 . . . . . . . . 5690 1 619 . 1 1 52 52 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5690 1 620 . 1 1 52 52 ASN HA H 1 5.18 0.02 . 1 . . . . . . . . 5690 1 621 . 1 1 52 52 ASN CB C 13 42.7 0.2 . 1 . . . . . . . . 5690 1 622 . 1 1 52 52 ASN HB2 H 1 2.91 0.02 . 1 . . . . . . . . 5690 1 623 . 1 1 52 52 ASN HB3 H 1 2.91 0.02 . 1 . . . . . . . . 5690 1 624 . 1 1 52 52 ASN ND2 N 15 110.8 0.2 . 1 . . . . . . . . 5690 1 625 . 1 1 52 52 ASN HD21 H 1 7.64 0.02 . 2 . . . . . . . . 5690 1 626 . 1 1 52 52 ASN HD22 H 1 7.00 0.02 . 2 . . . . . . . . 5690 1 627 . 1 1 52 52 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 5690 1 628 . 1 1 53 53 CYS N N 15 122.5 0.2 . 1 . . . . . . . . 5690 1 629 . 1 1 53 53 CYS H H 1 9.00 0.02 . 1 . . . . . . . . 5690 1 630 . 1 1 53 53 CYS CA C 13 53.7 0.2 . 1 . . . . . . . . 5690 1 631 . 1 1 53 53 CYS HA H 1 5.86 0.02 . 1 . . . . . . . . 5690 1 632 . 1 1 53 53 CYS CB C 13 43.6 0.2 . 1 . . . . . . . . 5690 1 633 . 1 1 53 53 CYS HB2 H 1 3.17 0.02 . 2 . . . . . . . . 5690 1 634 . 1 1 53 53 CYS HB3 H 1 3.40 0.02 . 2 . . . . . . . . 5690 1 635 . 1 1 53 53 CYS C C 13 172.2 0.2 . 1 . . . . . . . . 5690 1 636 . 1 1 54 54 CYS N N 15 119.7 0.2 . 1 . . . . . . . . 5690 1 637 . 1 1 54 54 CYS H H 1 9.38 0.02 . 1 . . . . . . . . 5690 1 638 . 1 1 54 54 CYS CA C 13 54.4 0.2 . 1 . . . . . . . . 5690 1 639 . 1 1 54 54 CYS HA H 1 5.21 0.02 . 1 . . . . . . . . 5690 1 640 . 1 1 54 54 CYS CB C 13 46.0 0.2 . 1 . . . . . . . . 5690 1 641 . 1 1 54 54 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5690 1 642 . 1 1 54 54 CYS HB3 H 1 3.57 0.02 . 2 . . . . . . . . 5690 1 643 . 1 1 54 54 CYS C C 13 174.2 0.2 . 1 . . . . . . . . 5690 1 644 . 1 1 55 55 ARG N N 15 118.4 0.2 . 1 . . . . . . . . 5690 1 645 . 1 1 55 55 ARG H H 1 8.84 0.02 . 1 . . . . . . . . 5690 1 646 . 1 1 55 55 ARG CA C 13 57.0 0.2 . 1 . . . . . . . . 5690 1 647 . 1 1 55 55 ARG HA H 1 5.01 0.02 . 1 . . . . . . . . 5690 1 648 . 1 1 55 55 ARG CB C 13 32.3 0.2 . 1 . . . . . . . . 5690 1 649 . 1 1 55 55 ARG HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5690 1 650 . 1 1 55 55 ARG HB3 H 1 2.19 0.02 . 2 . . . . . . . . 5690 1 651 . 1 1 55 55 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5690 1 652 . 1 1 55 55 ARG HG2 H 1 1.57 0.02 . 2 . . . . . . . . 5690 1 653 . 1 1 55 55 ARG HG3 H 1 1.75 0.02 . 2 . . . . . . . . 5690 1 654 . 1 1 55 55 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 5690 1 655 . 1 1 55 55 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 5690 1 656 . 1 1 55 55 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 5690 1 657 . 1 1 55 55 ARG NE N 15 84.1 0.2 . 1 . . . . . . . . 5690 1 658 . 1 1 55 55 ARG HE H 1 7.17 0.02 . 1 . . . . . . . . 5690 1 659 . 1 1 55 55 ARG CZ C 13 159.7 0.2 . 1 . . . . . . . . 5690 1 660 . 1 1 55 55 ARG C C 13 175.5 0.2 . 1 . . . . . . . . 5690 1 661 . 1 1 56 56 THR N N 15 110.3 0.2 . 1 . . . . . . . . 5690 1 662 . 1 1 56 56 THR H H 1 7.45 0.02 . 1 . . . . . . . . 5690 1 663 . 1 1 56 56 THR CA C 13 59.8 0.2 . 1 . . . . . . . . 5690 1 664 . 1 1 56 56 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 5690 1 665 . 1 1 56 56 THR CB C 13 71.9 0.2 . 1 . . . . . . . . 5690 1 666 . 1 1 56 56 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5690 1 667 . 1 1 56 56 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5690 1 668 . 1 1 56 56 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5690 1 669 . 1 1 56 56 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5690 1 670 . 1 1 56 56 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5690 1 671 . 1 1 56 56 THR C C 13 173.4 0.2 . 1 . . . . . . . . 5690 1 672 . 1 1 57 57 ASP N N 15 118.7 0.2 . 1 . . . . . . . . 5690 1 673 . 1 1 57 57 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5690 1 674 . 1 1 57 57 ASP CA C 13 55.5 0.2 . 1 . . . . . . . . 5690 1 675 . 1 1 57 57 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 5690 1 676 . 1 1 57 57 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5690 1 677 . 1 1 57 57 ASP HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5690 1 678 . 1 1 57 57 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5690 1 679 . 1 1 57 57 ASP C C 13 177.2 0.2 . 1 . . . . . . . . 5690 1 680 . 1 1 58 58 ARG N N 15 113.2 0.2 . 1 . . . . . . . . 5690 1 681 . 1 1 58 58 ARG H H 1 9.42 0.02 . 1 . . . . . . . . 5690 1 682 . 1 1 58 58 ARG CA C 13 58.1 0.2 . 1 . . . . . . . . 5690 1 683 . 1 1 58 58 ARG HA H 1 3.05 0.02 . 1 . . . . . . . . 5690 1 684 . 1 1 58 58 ARG CB C 13 26.8 0.2 . 1 . . . . . . . . 5690 1 685 . 1 1 58 58 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5690 1 686 . 1 1 58 58 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5690 1 687 . 1 1 58 58 ARG CG C 13 28.8 0.2 . 1 . . . . . . . . 5690 1 688 . 1 1 58 58 ARG HG2 H 1 0.54 0.02 . 2 . . . . . . . . 5690 1 689 . 1 1 58 58 ARG HG3 H 1 1.21 0.02 . 2 . . . . . . . . 5690 1 690 . 1 1 58 58 ARG CD C 13 42.8 0.2 . 1 . . . . . . . . 5690 1 691 . 1 1 58 58 ARG HD2 H 1 2.92 0.02 . 2 . . . . . . . . 5690 1 692 . 1 1 58 58 ARG HD3 H 1 3.12 0.02 . 2 . . . . . . . . 5690 1 693 . 1 1 58 58 ARG NE N 15 82.8 0.2 . 1 . . . . . . . . 5690 1 694 . 1 1 58 58 ARG HE H 1 7.23 0.02 . 1 . . . . . . . . 5690 1 695 . 1 1 58 58 ARG CZ C 13 159.5 0.2 . 1 . . . . . . . . 5690 1 696 . 1 1 58 58 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 5690 1 697 . 1 1 59 59 CYS N N 15 112.8 0.2 . 1 . . . . . . . . 5690 1 698 . 1 1 59 59 CYS H H 1 7.73 0.02 . 1 . . . . . . . . 5690 1 699 . 1 1 59 59 CYS CA C 13 57.2 0.2 . 1 . . . . . . . . 5690 1 700 . 1 1 59 59 CYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5690 1 701 . 1 1 59 59 CYS CB C 13 45.3 0.2 . 1 . . . . . . . . 5690 1 702 . 1 1 59 59 CYS HB2 H 1 3.77 0.02 . 2 . . . . . . . . 5690 1 703 . 1 1 59 59 CYS HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5690 1 704 . 1 1 59 59 CYS C C 13 174.2 0.2 . 1 . . . . . . . . 5690 1 705 . 1 1 60 60 ASN N N 15 121.7 0.2 . 1 . . . . . . . . 5690 1 706 . 1 1 60 60 ASN H H 1 9.13 0.02 . 1 . . . . . . . . 5690 1 707 . 1 1 60 60 ASN CA C 13 52.9 0.2 . 1 . . . . . . . . 5690 1 708 . 1 1 60 60 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 5690 1 709 . 1 1 60 60 ASN CB C 13 36.1 0.2 . 1 . . . . . . . . 5690 1 710 . 1 1 60 60 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5690 1 711 . 1 1 60 60 ASN HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5690 1 712 . 1 1 60 60 ASN ND2 N 15 117.4 0.2 . 1 . . . . . . . . 5690 1 713 . 1 1 60 60 ASN HD21 H 1 8.33 0.02 . 2 . . . . . . . . 5690 1 714 . 1 1 60 60 ASN HD22 H 1 8.01 0.02 . 2 . . . . . . . . 5690 1 715 . 1 1 60 60 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 5690 1 716 . 1 1 61 61 ASN N N 15 121.9 0.2 . 1 . . . . . . . . 5690 1 717 . 1 1 61 61 ASN H H 1 7.56 0.02 . 1 . . . . . . . . 5690 1 718 . 1 1 61 61 ASN CA C 13 56.5 0.2 . 1 . . . . . . . . 5690 1 719 . 1 1 61 61 ASN HA H 1 4.01 0.02 . 1 . . . . . . . . 5690 1 720 . 1 1 61 61 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 5690 1 721 . 1 1 61 61 ASN HB2 H 1 2.42 0.02 . 2 . . . . . . . . 5690 1 722 . 1 1 61 61 ASN HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5690 1 723 . 1 1 61 61 ASN ND2 N 15 112.8 0.2 . 1 . . . . . . . . 5690 1 724 . 1 1 61 61 ASN HD21 H 1 7.41 0.02 . 2 . . . . . . . . 5690 1 725 . 1 1 61 61 ASN HD22 H 1 6.56 0.02 . 2 . . . . . . . . 5690 1 stop_ save_