data_7324 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7324 _Entry.Title ; NMR solution structure of mouse SelW ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-26 _Entry.Accession_date 2006-10-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Cys10Ser/Sec13Cys variant of mouse Selenoprotein W (selW)' _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 Finn Aachmann . L. . 7324 2 Dmitri Fomenko . E. . 7324 3 Alice Soragni . . . 7324 4 Vadim Gladyshev . N. . 7324 5 Alexander Dikiy . . . 7324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 7324 '15N chemical shifts' 95 7324 '1H chemical shifts' 639 7324 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-10-26 update BMRB 'complete entry citation' 7324 1 . . 2006-11-06 2006-10-26 original author 'original release' 7324 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NPB 'BMRB Entry Tracking System' 7324 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7324 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17928294 _Citation.Full_citation . _Citation.Title 'Solution structure of selenoprotein W and NMR analysis of its interaction with 14-3-3 proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 51 _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 37036 _Citation.Page_last 37044 _Citation.Year 2007 _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 Finn Aachmann . L. . 7324 1 2 Dmitri Fomenko . E. . 7324 1 3 Alice Soragni . . . 7324 1 4 Vadim Gladyshev . N. . 7324 1 5 Alexander Dikiy . . . 7324 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7324 1 selenoprotein 7324 1 SelW 7324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7324 _Assembly.ID 1 _Assembly.Name SelW _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 10463 _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 'protein monomer' 7324 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 SelW 1 $Selenoprotein_W . . yes native no no . . . 7324 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'May be involved in a redox-related process' 7324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Selenoprotein_W _Entity.Sf_category entity _Entity.Sf_framecode Selenoprotein_W _Entity.Entry_ID 7324 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SelW _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 ; MALAVRVVYSGACGYKPKYL QLKEKLEHEFPGCLDICGEG TPQVTGFFEVTVAGKLVHSK KRGDGYVDTESKFRKLVTAI KAALAQCQLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; SELENOCYSTEINE (CSE) HAS BEEN MUTATED TO CYS. Amino acid 89-96 His-tag, cloning artifact. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10463 _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 PDB 2NPB . "Nmr Solution Structure Of Mouse Selw" . . . . . 100.00 96 100.00 100.00 1.27e-62 . . . . 7324 1 2 no DBJ BAC55247 . "unnamed protein product [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 3 no DBJ BAC55256 . "unnamed protein product [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 4 no GB AAB69860 . "selenoprotein W [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 5 no GB AAC52255 . "selenoprotein W [Rattus norvegicus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 6 no GB AAC53317 . "selenoprotein W [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 7 no GB AAF64481 . "selenoprotein W [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 8 no GB AAH52719 . "Selenoprotein W, muscle 1 [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 9 no REF NP_033182 . "selenoprotein W [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 10 no REF NP_037159 . "selenoprotein W [Rattus norvegicus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 11 no REF XP_005139276 . "PREDICTED: LOW QUALITY PROTEIN: selenoprotein W, 1 [Mesocricetus auratus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 12 no REF XP_005372482 . "PREDICTED: LOW QUALITY PROTEIN: selenoprotein W, 1 [Microtus ochrogaster]" . . . . . 91.67 93 97.73 97.73 6.84e-54 . . . . 7324 1 13 no SP P63300 . "RecName: Full=Selenoprotein W; Short=SelW [Mus musculus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 14 no SP P63301 . "RecName: Full=Selenoprotein W; Short=SelW [Rattus norvegicus]" . . . . . 91.67 88 97.73 97.73 8.65e-54 . . . . 7324 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'May be involved in a redox-related process' 7324 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Selenoprotein W' . 7324 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 . 7324 1 2 . ALA . 7324 1 3 . LEU . 7324 1 4 . ALA . 7324 1 5 . VAL . 7324 1 6 . ARG . 7324 1 7 . VAL . 7324 1 8 . VAL . 7324 1 9 . TYR . 7324 1 10 . SER . 7324 1 11 . GLY . 7324 1 12 . ALA . 7324 1 13 . CYS . 7324 1 14 . GLY . 7324 1 15 . TYR . 7324 1 16 . LYS . 7324 1 17 . PRO . 7324 1 18 . LYS . 7324 1 19 . TYR . 7324 1 20 . LEU . 7324 1 21 . GLN . 7324 1 22 . LEU . 7324 1 23 . LYS . 7324 1 24 . GLU . 7324 1 25 . LYS . 7324 1 26 . LEU . 7324 1 27 . GLU . 7324 1 28 . HIS . 7324 1 29 . GLU . 7324 1 30 . PHE . 7324 1 31 . PRO . 7324 1 32 . GLY . 7324 1 33 . CYS . 7324 1 34 . LEU . 7324 1 35 . ASP . 7324 1 36 . ILE . 7324 1 37 . CYS . 7324 1 38 . GLY . 7324 1 39 . GLU . 7324 1 40 . GLY . 7324 1 41 . THR . 7324 1 42 . PRO . 7324 1 43 . GLN . 7324 1 44 . VAL . 7324 1 45 . THR . 7324 1 46 . GLY . 7324 1 47 . PHE . 7324 1 48 . PHE . 7324 1 49 . GLU . 7324 1 50 . VAL . 7324 1 51 . THR . 7324 1 52 . VAL . 7324 1 53 . ALA . 7324 1 54 . GLY . 7324 1 55 . LYS . 7324 1 56 . LEU . 7324 1 57 . VAL . 7324 1 58 . HIS . 7324 1 59 . SER . 7324 1 60 . LYS . 7324 1 61 . LYS . 7324 1 62 . ARG . 7324 1 63 . GLY . 7324 1 64 . ASP . 7324 1 65 . GLY . 7324 1 66 . TYR . 7324 1 67 . VAL . 7324 1 68 . ASP . 7324 1 69 . THR . 7324 1 70 . GLU . 7324 1 71 . SER . 7324 1 72 . LYS . 7324 1 73 . PHE . 7324 1 74 . ARG . 7324 1 75 . LYS . 7324 1 76 . LEU . 7324 1 77 . VAL . 7324 1 78 . THR . 7324 1 79 . ALA . 7324 1 80 . ILE . 7324 1 81 . LYS . 7324 1 82 . ALA . 7324 1 83 . ALA . 7324 1 84 . LEU . 7324 1 85 . ALA . 7324 1 86 . GLN . 7324 1 87 . CYS . 7324 1 88 . GLN . 7324 1 89 . LEU . 7324 1 90 . GLU . 7324 1 91 . HIS . 7324 1 92 . HIS . 7324 1 93 . HIS . 7324 1 94 . HIS . 7324 1 95 . HIS . 7324 1 96 . HIS . 7324 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 7324 1 . ALA 2 2 7324 1 . LEU 3 3 7324 1 . ALA 4 4 7324 1 . VAL 5 5 7324 1 . ARG 6 6 7324 1 . VAL 7 7 7324 1 . VAL 8 8 7324 1 . TYR 9 9 7324 1 . SER 10 10 7324 1 . GLY 11 11 7324 1 . ALA 12 12 7324 1 . CYS 13 13 7324 1 . GLY 14 14 7324 1 . TYR 15 15 7324 1 . LYS 16 16 7324 1 . PRO 17 17 7324 1 . LYS 18 18 7324 1 . TYR 19 19 7324 1 . LEU 20 20 7324 1 . GLN 21 21 7324 1 . LEU 22 22 7324 1 . LYS 23 23 7324 1 . GLU 24 24 7324 1 . LYS 25 25 7324 1 . LEU 26 26 7324 1 . GLU 27 27 7324 1 . HIS 28 28 7324 1 . GLU 29 29 7324 1 . PHE 30 30 7324 1 . PRO 31 31 7324 1 . GLY 32 32 7324 1 . CYS 33 33 7324 1 . LEU 34 34 7324 1 . ASP 35 35 7324 1 . ILE 36 36 7324 1 . CYS 37 37 7324 1 . GLY 38 38 7324 1 . GLU 39 39 7324 1 . GLY 40 40 7324 1 . THR 41 41 7324 1 . PRO 42 42 7324 1 . GLN 43 43 7324 1 . VAL 44 44 7324 1 . THR 45 45 7324 1 . GLY 46 46 7324 1 . PHE 47 47 7324 1 . PHE 48 48 7324 1 . GLU 49 49 7324 1 . VAL 50 50 7324 1 . THR 51 51 7324 1 . VAL 52 52 7324 1 . ALA 53 53 7324 1 . GLY 54 54 7324 1 . LYS 55 55 7324 1 . LEU 56 56 7324 1 . VAL 57 57 7324 1 . HIS 58 58 7324 1 . SER 59 59 7324 1 . LYS 60 60 7324 1 . LYS 61 61 7324 1 . ARG 62 62 7324 1 . GLY 63 63 7324 1 . ASP 64 64 7324 1 . GLY 65 65 7324 1 . TYR 66 66 7324 1 . VAL 67 67 7324 1 . ASP 68 68 7324 1 . THR 69 69 7324 1 . GLU 70 70 7324 1 . SER 71 71 7324 1 . LYS 72 72 7324 1 . PHE 73 73 7324 1 . ARG 74 74 7324 1 . LYS 75 75 7324 1 . LEU 76 76 7324 1 . VAL 77 77 7324 1 . THR 78 78 7324 1 . ALA 79 79 7324 1 . ILE 80 80 7324 1 . LYS 81 81 7324 1 . ALA 82 82 7324 1 . ALA 83 83 7324 1 . LEU 84 84 7324 1 . ALA 85 85 7324 1 . GLN 86 86 7324 1 . CYS 87 87 7324 1 . GLN 88 88 7324 1 . LEU 89 89 7324 1 . GLU 90 90 7324 1 . HIS 91 91 7324 1 . HIS 92 92 7324 1 . HIS 93 93 7324 1 . HIS 94 94 7324 1 . HIS 95 95 7324 1 . HIS 96 96 7324 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 7324 _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 $Selenoprotein_W . 10090 . no . Mouse . . Eukaryota Metazoa Mus musculus C57BL/6 . . . . . . . . . . . . . . . Sepw1 . . . . 7324 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 7324 _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 $Selenoprotein_W . 'recombinant technology' . 'E. coli' . . Escherichia coli ER2566 . . . . . . . . . . . . Plasmid . . pFA6 'pFA6 Derivate of pET 21(b)' . . 'With 6xHis-tag' . . 7324 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7324 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM phosphate buffer, 50 mM NaCl, 2.5 mM DTT in 90%/10% H2O/D2O' _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 SelW '[U-98% 13C; U-99% 15N]' . . 1 $Selenoprotein_W . protein 1 0.9 1.1 mM 0.1 . . . 7324 1 2 'phosphate buffer' . . . . . . buffer 25 . . mM . . . . 7324 1 3 NaCl . . . . . . salt 50 . . mM . . . . 7324 1 4 DTT . . . . . . . 2.5 . . mM . . . . 7324 1 5 H2O . . . . . . . 90 . . % . . . . 7324 1 6 D2O . . . . . . . 10 . . % . . . . 7324 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7324 _Sample_condition_list.ID 1 _Sample_condition_list.Details '90%/10% H2O/D2O' 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 5.1 0.05 pH 7324 1 temperature 298 0.2 K 7324 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 7324 _Software.ID 1 _Software.Name CARA _Software.Version 1.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7324 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 7324 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7324 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7324 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe-TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avence AV' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7324 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 2 1H13C_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 3 2D_1H_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 4 2D_1H_TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 5 2D_1H_IP-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 6 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 7 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 8 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 9 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 10 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 11 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 12 CACBNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 13 CACB(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 14 HAHBNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 15 HAHB(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 16 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 17 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7324 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N 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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C_HSQC _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H13C 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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_NOESY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_TOCSY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H 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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H_IP-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H_IP-COSY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H IP-COSY' _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 8 _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CO)CA _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HN(CA)CO _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 11 _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CACBNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CACBNH _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CACBNH _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CACB(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CACB(CO)NH _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HAHBNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HAHBNH _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HAHBNH _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HAHB(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HAHB(CO)NH _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HAHB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 16 _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7324 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name HCCH-COSY _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 $600MHz_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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 7324 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 7324 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 7324 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 7324 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7324 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 isotropic 7324 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 3.962 0.02 . 1 . . . . 2 ALA HA . 7324 1 2 . 1 1 2 2 ALA HB1 H 1 1.204 0.02 . 1 . . . . 2 ALA HB . 7324 1 3 . 1 1 2 2 ALA HB2 H 1 1.204 0.02 . 1 . . . . 2 ALA HB . 7324 1 4 . 1 1 2 2 ALA HB3 H 1 1.204 0.02 . 1 . . . . 2 ALA HB . 7324 1 5 . 1 1 2 2 ALA CA C 13 51.316 0.2 . 1 . . . . 2 ALA CA . 7324 1 6 . 1 1 2 2 ALA CB C 13 19.020 0.2 . 1 . . . . 2 ALA CB . 7324 1 7 . 1 1 3 3 LEU H H 1 7.921 0.02 . 1 . . . . 3 LEU H . 7324 1 8 . 1 1 3 3 LEU HA H 1 4.299 0.02 . 1 . . . . 3 LEU HA . 7324 1 9 . 1 1 3 3 LEU HB2 H 1 1.704 0.02 . 1 . . . . 3 LEU HB2 . 7324 1 10 . 1 1 3 3 LEU HB3 H 1 1.383 0.02 . 1 . . . . 3 LEU HB3 . 7324 1 11 . 1 1 3 3 LEU HG H 1 1.409 0.02 . 1 . . . . 3 LEU HG . 7324 1 12 . 1 1 3 3 LEU HD11 H 1 0.860 0.02 . 1 . . . . 3 LEU HD1 . 7324 1 13 . 1 1 3 3 LEU HD12 H 1 0.860 0.02 . 1 . . . . 3 LEU HD1 . 7324 1 14 . 1 1 3 3 LEU HD13 H 1 0.860 0.02 . 1 . . . . 3 LEU HD1 . 7324 1 15 . 1 1 3 3 LEU HD21 H 1 0.625 0.02 . 1 . . . . 3 LEU HD2 . 7324 1 16 . 1 1 3 3 LEU HD22 H 1 0.625 0.02 . 1 . . . . 3 LEU HD2 . 7324 1 17 . 1 1 3 3 LEU HD23 H 1 0.625 0.02 . 1 . . . . 3 LEU HD2 . 7324 1 18 . 1 1 3 3 LEU C C 13 175.562 0.2 . 1 . . . . 3 LEU C . 7324 1 19 . 1 1 3 3 LEU CA C 13 54.739 0.2 . 1 . . . . 3 LEU CA . 7324 1 20 . 1 1 3 3 LEU CB C 13 43.100 0.2 . 1 . . . . 3 LEU CB . 7324 1 21 . 1 1 3 3 LEU CG C 13 26.747 0.2 . 1 . . . . 3 LEU CG . 7324 1 22 . 1 1 3 3 LEU CD1 C 13 24.878 0.2 . 1 . . . . 3 LEU CD1 . 7324 1 23 . 1 1 3 3 LEU CD2 C 13 27.089 0.2 . 1 . . . . 3 LEU CD2 . 7324 1 24 . 1 1 3 3 LEU N N 15 122.790 0.2 . 1 . . . . 3 LEU N . 7324 1 25 . 1 1 4 4 ALA H H 1 8.849 0.02 . 1 . . . . 4 ALA H . 7324 1 26 . 1 1 4 4 ALA HA H 1 4.724 0.02 . 1 . . . . 4 ALA HA . 7324 1 27 . 1 1 4 4 ALA HB1 H 1 1.357 0.02 . 1 . . . . 4 ALA HB . 7324 1 28 . 1 1 4 4 ALA HB2 H 1 1.357 0.02 . 1 . . . . 4 ALA HB . 7324 1 29 . 1 1 4 4 ALA HB3 H 1 1.357 0.02 . 1 . . . . 4 ALA HB . 7324 1 30 . 1 1 4 4 ALA C C 13 176.939 0.2 . 1 . . . . 4 ALA C . 7324 1 31 . 1 1 4 4 ALA CA C 13 53.031 0.2 . 1 . . . . 4 ALA CA . 7324 1 32 . 1 1 4 4 ALA CB C 13 18.985 0.2 . 1 . . . . 4 ALA CB . 7324 1 33 . 1 1 4 4 ALA N N 15 131.816 0.2 . 1 . . . . 4 ALA N . 7324 1 34 . 1 1 5 5 VAL H H 1 8.586 0.02 . 1 . . . . 5 VAL H . 7324 1 35 . 1 1 5 5 VAL HA H 1 4.865 0.02 . 1 . . . . 5 VAL HA . 7324 1 36 . 1 1 5 5 VAL HB H 1 1.931 0.02 . 1 . . . . 5 VAL HB . 7324 1 37 . 1 1 5 5 VAL HG11 H 1 0.868 0.02 . 1 . . . . 5 VAL HG1 . 7324 1 38 . 1 1 5 5 VAL HG12 H 1 0.868 0.02 . 1 . . . . 5 VAL HG1 . 7324 1 39 . 1 1 5 5 VAL HG13 H 1 0.868 0.02 . 1 . . . . 5 VAL HG1 . 7324 1 40 . 1 1 5 5 VAL HG21 H 1 0.774 0.02 . 1 . . . . 5 VAL HG2 . 7324 1 41 . 1 1 5 5 VAL HG22 H 1 0.774 0.02 . 1 . . . . 5 VAL HG2 . 7324 1 42 . 1 1 5 5 VAL HG23 H 1 0.774 0.02 . 1 . . . . 5 VAL HG2 . 7324 1 43 . 1 1 5 5 VAL C C 13 174.548 0.2 . 1 . . . . 5 VAL C . 7324 1 44 . 1 1 5 5 VAL CA C 13 61.018 0.2 . 1 . . . . 5 VAL CA . 7324 1 45 . 1 1 5 5 VAL CB C 13 34.113 0.2 . 1 . . . . 5 VAL CB . 7324 1 46 . 1 1 5 5 VAL CG1 C 13 21.180 0.2 . 1 . . . . 5 VAL CG1 . 7324 1 47 . 1 1 5 5 VAL CG2 C 13 19.884 0.2 . 1 . . . . 5 VAL CG2 . 7324 1 48 . 1 1 5 5 VAL N N 15 127.503 0.2 . 1 . . . . 5 VAL N . 7324 1 49 . 1 1 6 6 ARG H H 1 8.860 0.02 . 1 . . . . 6 ARG H . 7324 1 50 . 1 1 6 6 ARG HA H 1 5.417 0.02 . 1 . . . . 6 ARG HA . 7324 1 51 . 1 1 6 6 ARG HB2 H 1 1.677 0.02 . 1 . . . . 6 ARG HB2 . 7324 1 52 . 1 1 6 6 ARG HB3 H 1 1.641 0.02 . 1 . . . . 6 ARG HB3 . 7324 1 53 . 1 1 6 6 ARG HG2 H 1 1.496 0.02 . 1 . . . . 6 ARG HG2 . 7324 1 54 . 1 1 6 6 ARG HG3 H 1 1.271 0.02 . 1 . . . . 6 ARG HG3 . 7324 1 55 . 1 1 6 6 ARG HD2 H 1 3.085 0.02 . 1 . . . . 6 ARG HD2 . 7324 1 56 . 1 1 6 6 ARG HD3 H 1 3.020 0.02 . 1 . . . . 6 ARG HD3 . 7324 1 57 . 1 1 6 6 ARG HE H 1 7.178 0.02 . 1 . . . . 6 ARG HE . 7324 1 58 . 1 1 6 6 ARG HH11 H 1 6.590 0.02 . 1 . . . . 6 ARG HH11 . 7324 1 59 . 1 1 6 6 ARG HH21 H 1 6.584 0.02 . 1 . . . . 6 ARG HH21 . 7324 1 60 . 1 1 6 6 ARG C C 13 174.823 0.2 . 1 . . . . 6 ARG C . 7324 1 61 . 1 1 6 6 ARG CA C 13 53.553 0.2 . 1 . . . . 6 ARG CA . 7324 1 62 . 1 1 6 6 ARG CB C 13 32.689 0.2 . 1 . . . . 6 ARG CB . 7324 1 63 . 1 1 6 6 ARG CG C 13 27.466 0.2 . 1 . . . . 6 ARG CG . 7324 1 64 . 1 1 6 6 ARG CD C 13 43.105 0.2 . 1 . . . . 6 ARG CD . 7324 1 65 . 1 1 6 6 ARG N N 15 128.918 0.2 . 1 . . . . 6 ARG N . 7324 1 66 . 1 1 6 6 ARG NE N 15 121.723 0.2 . 1 . . . . 6 ARG NE . 7324 1 67 . 1 1 6 6 ARG NH1 N 15 108.691 0.2 . 1 . . . . 6 ARG NH1 . 7324 1 68 . 1 1 6 6 ARG NH2 N 15 109.266 0.2 . 1 . . . . 6 ARG NH2 . 7324 1 69 . 1 1 7 7 VAL H H 1 8.663 0.02 . 1 . . . . 7 VAL H . 7324 1 70 . 1 1 7 7 VAL HA H 1 5.173 0.02 . 1 . . . . 7 VAL HA . 7324 1 71 . 1 1 7 7 VAL HB H 1 2.016 0.02 . 1 . . . . 7 VAL HB . 7324 1 72 . 1 1 7 7 VAL HG11 H 1 0.956 0.02 . 1 . . . . 7 VAL HG1 . 7324 1 73 . 1 1 7 7 VAL HG12 H 1 0.956 0.02 . 1 . . . . 7 VAL HG1 . 7324 1 74 . 1 1 7 7 VAL HG13 H 1 0.956 0.02 . 1 . . . . 7 VAL HG1 . 7324 1 75 . 1 1 7 7 VAL HG21 H 1 0.368 0.02 . 1 . . . . 7 VAL HG2 . 7324 1 76 . 1 1 7 7 VAL HG22 H 1 0.368 0.02 . 1 . . . . 7 VAL HG2 . 7324 1 77 . 1 1 7 7 VAL HG23 H 1 0.368 0.02 . 1 . . . . 7 VAL HG2 . 7324 1 78 . 1 1 7 7 VAL C C 13 174.565 0.2 . 1 . . . . 7 VAL C . 7324 1 79 . 1 1 7 7 VAL CA C 13 59.992 0.2 . 1 . . . . 7 VAL CA . 7324 1 80 . 1 1 7 7 VAL CB C 13 33.101 0.2 . 1 . . . . 7 VAL CB . 7324 1 81 . 1 1 7 7 VAL CG1 C 13 20.581 0.2 . 1 . . . . 7 VAL CG1 . 7324 1 82 . 1 1 7 7 VAL CG2 C 13 21.133 0.2 . 1 . . . . 7 VAL CG2 . 7324 1 83 . 1 1 7 7 VAL N N 15 124.880 0.2 . 1 . . . . 7 VAL N . 7324 1 84 . 1 1 8 8 VAL H H 1 8.828 0.02 . 1 . . . . 8 VAL H . 7324 1 85 . 1 1 8 8 VAL HA H 1 4.762 0.02 . 1 . . . . 8 VAL HA . 7324 1 86 . 1 1 8 8 VAL HB H 1 1.773 0.02 . 1 . . . . 8 VAL HB . 7324 1 87 . 1 1 8 8 VAL HG11 H 1 0.822 0.02 . 1 . . . . 8 VAL HG1 . 7324 1 88 . 1 1 8 8 VAL HG12 H 1 0.822 0.02 . 1 . . . . 8 VAL HG1 . 7324 1 89 . 1 1 8 8 VAL HG13 H 1 0.822 0.02 . 1 . . . . 8 VAL HG1 . 7324 1 90 . 1 1 8 8 VAL HG21 H 1 0.715 0.02 . 1 . . . . 8 VAL HG2 . 7324 1 91 . 1 1 8 8 VAL HG22 H 1 0.715 0.02 . 1 . . . . 8 VAL HG2 . 7324 1 92 . 1 1 8 8 VAL HG23 H 1 0.715 0.02 . 1 . . . . 8 VAL HG2 . 7324 1 93 . 1 1 8 8 VAL C C 13 175.184 0.2 . 1 . . . . 8 VAL C . 7324 1 94 . 1 1 8 8 VAL CA C 13 61.061 0.2 . 1 . . . . 8 VAL CA . 7324 1 95 . 1 1 8 8 VAL CB C 13 33.173 0.2 . 1 . . . . 8 VAL CB . 7324 1 96 . 1 1 8 8 VAL CG1 C 13 20.797 0.2 . 1 . . . . 8 VAL CG1 . 7324 1 97 . 1 1 8 8 VAL CG2 C 13 21.461 0.2 . 1 . . . . 8 VAL CG2 . 7324 1 98 . 1 1 8 8 VAL N N 15 129.654 0.2 . 1 . . . . 8 VAL N . 7324 1 99 . 1 1 9 9 TYR H H 1 8.387 0.02 . 1 . . . . 9 TYR H . 7324 1 100 . 1 1 9 9 TYR HA H 1 5.603 0.02 . 1 . . . . 9 TYR HA . 7324 1 101 . 1 1 9 9 TYR HB2 H 1 3.431 0.02 . 1 . . . . 9 TYR HB2 . 7324 1 102 . 1 1 9 9 TYR HB3 H 1 2.533 0.02 . 1 . . . . 9 TYR HB3 . 7324 1 103 . 1 1 9 9 TYR HD1 H 1 6.705 0.02 . 1 . . . . 9 TYR HD . 7324 1 104 . 1 1 9 9 TYR HD2 H 1 6.705 0.02 . 1 . . . . 9 TYR HD . 7324 1 105 . 1 1 9 9 TYR HE1 H 1 6.541 0.02 . 1 . . . . 9 TYR HE . 7324 1 106 . 1 1 9 9 TYR HE2 H 1 6.541 0.02 . 1 . . . . 9 TYR HE . 7324 1 107 . 1 1 9 9 TYR C C 13 173.928 0.2 . 1 . . . . 9 TYR C . 7324 1 108 . 1 1 9 9 TYR CA C 13 53.350 0.2 . 1 . . . . 9 TYR CA . 7324 1 109 . 1 1 9 9 TYR CB C 13 42.202 0.2 . 1 . . . . 9 TYR CB . 7324 1 110 . 1 1 9 9 TYR N N 15 124.052 0.2 . 1 . . . . 9 TYR N . 7324 1 111 . 1 1 10 10 SER H H 1 7.861 0.02 . 1 . . . . 10 SER H . 7324 1 112 . 1 1 10 10 SER HA H 1 4.298 0.02 . 1 . . . . 10 SER HA . 7324 1 113 . 1 1 10 10 SER HB2 H 1 3.171 0.02 . 1 . . . . 10 SER HB2 . 7324 1 114 . 1 1 10 10 SER HB3 H 1 2.919 0.02 . 1 . . . . 10 SER HB3 . 7324 1 115 . 1 1 10 10 SER C C 13 177.231 0.2 . 1 . . . . 10 SER C . 7324 1 116 . 1 1 10 10 SER CA C 13 59.241 0.2 . 1 . . . . 10 SER CA . 7324 1 117 . 1 1 10 10 SER CB C 13 63.265 0.2 . 1 . . . . 10 SER CB . 7324 1 118 . 1 1 10 10 SER N N 15 116.128 0.2 . 1 . . . . 10 SER N . 7324 1 119 . 1 1 11 11 GLY H H 1 7.998 0.02 . 1 . . . . 11 GLY H . 7324 1 120 . 1 1 11 11 GLY HA2 H 1 4.187 0.02 . 1 . . . . 11 GLY HA2 . 7324 1 121 . 1 1 11 11 GLY HA3 H 1 3.736 0.02 . 1 . . . . 11 GLY HA3 . 7324 1 122 . 1 1 11 11 GLY C C 13 174.943 0.2 . 1 . . . . 11 GLY C . 7324 1 123 . 1 1 11 11 GLY CA C 13 46.392 0.2 . 1 . . . . 11 GLY CA . 7324 1 124 . 1 1 11 11 GLY N N 15 113.590 0.2 . 1 . . . . 11 GLY N . 7324 1 125 . 1 1 12 12 ALA H H 1 7.997 0.02 . 1 . . . . 12 ALA H . 7324 1 126 . 1 1 12 12 ALA HA H 1 4.423 0.02 . 1 . . . . 12 ALA HA . 7324 1 127 . 1 1 12 12 ALA HB1 H 1 1.464 0.02 . 1 . . . . 12 ALA HB . 7324 1 128 . 1 1 12 12 ALA HB2 H 1 1.464 0.02 . 1 . . . . 12 ALA HB . 7324 1 129 . 1 1 12 12 ALA HB3 H 1 1.464 0.02 . 1 . . . . 12 ALA HB . 7324 1 130 . 1 1 12 12 ALA CA C 13 52.202 0.2 . 1 . . . . 12 ALA CA . 7324 1 131 . 1 1 12 12 ALA CB C 13 19.980 0.2 . 1 . . . . 12 ALA CB . 7324 1 132 . 1 1 12 12 ALA N N 15 123.933 0.2 . 1 . . . . 12 ALA N . 7324 1 133 . 1 1 13 13 CYS H H 1 8.345 0.02 . 1 . . . . 13 CYS H . 7324 1 134 . 1 1 13 13 CYS HA H 1 4.408 0.02 . 1 . . . . 13 CYS HA . 7324 1 135 . 1 1 13 13 CYS HB2 H 1 2.983 0.02 . 1 . . . . 13 CYS HB2 . 7324 1 136 . 1 1 13 13 CYS HB3 H 1 2.653 0.02 . 1 . . . . 13 CYS HB3 . 7324 1 137 . 1 1 13 13 CYS C C 13 175.826 0.2 . 1 . . . . 13 CYS C . 7324 1 138 . 1 1 13 13 CYS CA C 13 59.947 0.2 . 1 . . . . 13 CYS CA . 7324 1 139 . 1 1 13 13 CYS CB C 13 27.269 0.2 . 1 . . . . 13 CYS CB . 7324 1 140 . 1 1 13 13 CYS N N 15 118.798 0.2 . 1 . . . . 13 CYS N . 7324 1 141 . 1 1 14 14 GLY H H 1 8.834 0.02 . 1 . . . . 14 GLY H . 7324 1 142 . 1 1 14 14 GLY HA2 H 1 4.270 0.02 . 1 . . . . 14 GLY HA2 . 7324 1 143 . 1 1 14 14 GLY HA3 H 1 3.843 0.02 . 1 . . . . 14 GLY HA3 . 7324 1 144 . 1 1 14 14 GLY C C 13 175.821 0.2 . 1 . . . . 14 GLY C . 7324 1 145 . 1 1 14 14 GLY CA C 13 45.852 0.2 . 1 . . . . 14 GLY CA . 7324 1 146 . 1 1 14 14 GLY N N 15 111.671 0.2 . 1 . . . . 14 GLY N . 7324 1 147 . 1 1 15 15 TYR H H 1 7.896 0.02 . 1 . . . . 15 TYR H . 7324 1 148 . 1 1 15 15 TYR HA H 1 4.453 0.02 . 1 . . . . 15 TYR HA . 7324 1 149 . 1 1 15 15 TYR HB2 H 1 3.794 0.02 . 1 . . . . 15 TYR HB2 . 7324 1 150 . 1 1 15 15 TYR HB3 H 1 3.369 0.02 . 1 . . . . 15 TYR HB3 . 7324 1 151 . 1 1 15 15 TYR HD1 H 1 6.725 0.02 . 1 . . . . 15 TYR HD . 7324 1 152 . 1 1 15 15 TYR HD2 H 1 6.725 0.02 . 1 . . . . 15 TYR HD . 7324 1 153 . 1 1 15 15 TYR HE1 H 1 6.133 0.02 . 1 . . . . 15 TYR HE . 7324 1 154 . 1 1 15 15 TYR HE2 H 1 6.133 0.02 . 1 . . . . 15 TYR HE . 7324 1 155 . 1 1 15 15 TYR C C 13 170.195 0.2 . 1 . . . . 15 TYR C . 7324 1 156 . 1 1 15 15 TYR CA C 13 60.676 0.2 . 1 . . . . 15 TYR CA . 7324 1 157 . 1 1 15 15 TYR CB C 13 39.416 0.2 . 1 . . . . 15 TYR CB . 7324 1 158 . 1 1 15 15 TYR N N 15 120.560 0.2 . 1 . . . . 15 TYR N . 7324 1 159 . 1 1 16 16 LYS H H 1 9.094 0.02 . 1 . . . . 16 LYS H . 7324 1 160 . 1 1 16 16 LYS HA H 1 3.600 0.02 . 1 . . . . 16 LYS HA . 7324 1 161 . 1 1 16 16 LYS HB2 H 1 2.087 0.02 . 1 . . . . 16 LYS HB2 . 7324 1 162 . 1 1 16 16 LYS HB3 H 1 2.028 0.02 . 1 . . . . 16 LYS HB3 . 7324 1 163 . 1 1 16 16 LYS HG2 H 1 1.445 0.02 . 1 . . . . 16 LYS HG2 . 7324 1 164 . 1 1 16 16 LYS HG3 H 1 1.383 0.02 . 1 . . . . 16 LYS HG3 . 7324 1 165 . 1 1 16 16 LYS HD2 H 1 1.837 0.02 . 1 . . . . 16 LYS HD2 . 7324 1 166 . 1 1 16 16 LYS HE2 H 1 3.025 0.02 . 1 . . . . 16 LYS HE2 . 7324 1 167 . 1 1 16 16 LYS CA C 13 61.881 0.2 . 1 . . . . 16 LYS CA . 7324 1 168 . 1 1 16 16 LYS CB C 13 29.575 0.2 . 1 . . . . 16 LYS CB . 7324 1 169 . 1 1 16 16 LYS CG C 13 25.687 0.2 . 1 . . . . 16 LYS CG . 7324 1 170 . 1 1 16 16 LYS CD C 13 30.085 0.2 . 1 . . . . 16 LYS CD . 7324 1 171 . 1 1 16 16 LYS CE C 13 42.474 0.2 . 1 . . . . 16 LYS CE . 7324 1 172 . 1 1 16 16 LYS N N 15 122.583 0.2 . 1 . . . . 16 LYS N . 7324 1 173 . 1 1 17 17 PRO HA H 1 4.167 0.02 . 1 . . . . 17 PRO HA . 7324 1 174 . 1 1 17 17 PRO HB2 H 1 2.295 0.02 . 1 . . . . 17 PRO HB2 . 7324 1 175 . 1 1 17 17 PRO HB3 H 1 1.677 0.02 . 1 . . . . 17 PRO HB3 . 7324 1 176 . 1 1 17 17 PRO HG2 H 1 2.059 0.02 . 1 . . . . 17 PRO HG2 . 7324 1 177 . 1 1 17 17 PRO HG3 H 1 1.951 0.02 . 1 . . . . 17 PRO HG3 . 7324 1 178 . 1 1 17 17 PRO HD2 H 1 3.743 0.02 . 1 . . . . 17 PRO HD2 . 7324 1 179 . 1 1 17 17 PRO HD3 H 1 3.560 0.02 . 1 . . . . 17 PRO HD3 . 7324 1 180 . 1 1 17 17 PRO C C 13 179.072 0.2 . 1 . . . . 17 PRO C . 7324 1 181 . 1 1 17 17 PRO CA C 13 66.351 0.2 . 1 . . . . 17 PRO CA . 7324 1 182 . 1 1 17 17 PRO CB C 13 30.921 0.2 . 1 . . . . 17 PRO CB . 7324 1 183 . 1 1 17 17 PRO CG C 13 28.053 0.2 . 1 . . . . 17 PRO CG . 7324 1 184 . 1 1 17 17 PRO CD C 13 49.822 0.2 . 1 . . . . 17 PRO CD . 7324 1 185 . 1 1 18 18 LYS H H 1 6.936 0.02 . 1 . . . . 18 LYS H . 7324 1 186 . 1 1 18 18 LYS HA H 1 3.921 0.02 . 1 . . . . 18 LYS HA . 7324 1 187 . 1 1 18 18 LYS HB2 H 1 1.943 0.02 . 1 . . . . 18 LYS HB2 . 7324 1 188 . 1 1 18 18 LYS HB3 H 1 1.906 0.02 . 1 . . . . 18 LYS HB3 . 7324 1 189 . 1 1 18 18 LYS HG2 H 1 1.008 0.02 . 1 . . . . 18 LYS HG . 7324 1 190 . 1 1 18 18 LYS HG3 H 1 1.008 0.02 . 1 . . . . 18 LYS HG . 7324 1 191 . 1 1 18 18 LYS HD2 H 1 1.264 0.02 . 1 . . . . 18 LYS HD . 7324 1 192 . 1 1 18 18 LYS HD3 H 1 1.264 0.02 . 1 . . . . 18 LYS HD . 7324 1 193 . 1 1 18 18 LYS HE2 H 1 3.377 0.02 . 1 . . . . 18 LYS HE . 7324 1 194 . 1 1 18 18 LYS HE3 H 1 3.377 0.02 . 1 . . . . 18 LYS HE . 7324 1 195 . 1 1 18 18 LYS C C 13 180.689 0.2 . 1 . . . . 18 LYS C . 7324 1 196 . 1 1 18 18 LYS CA C 13 58.767 0.2 . 1 . . . . 18 LYS CA . 7324 1 197 . 1 1 18 18 LYS CB C 13 32.053 0.2 . 1 . . . . 18 LYS CB . 7324 1 198 . 1 1 18 18 LYS CG C 13 25.279 0.2 . 1 . . . . 18 LYS CG . 7324 1 199 . 1 1 18 18 LYS N N 15 115.694 0.2 . 1 . . . . 18 LYS N . 7324 1 200 . 1 1 19 19 TYR H H 1 7.894 0.02 . 1 . . . . 19 TYR H . 7324 1 201 . 1 1 19 19 TYR HA H 1 4.385 0.02 . 1 . . . . 19 TYR HA . 7324 1 202 . 1 1 19 19 TYR HB2 H 1 2.822 0.02 . 1 . . . . 19 TYR HB2 . 7324 1 203 . 1 1 19 19 TYR HB3 H 1 2.614 0.02 . 1 . . . . 19 TYR HB3 . 7324 1 204 . 1 1 19 19 TYR HD1 H 1 6.722 0.02 . 1 . . . . 19 TYR HD . 7324 1 205 . 1 1 19 19 TYR HD2 H 1 6.722 0.02 . 1 . . . . 19 TYR HD . 7324 1 206 . 1 1 19 19 TYR HE1 H 1 6.562 0.02 . 1 . . . . 19 TYR HE . 7324 1 207 . 1 1 19 19 TYR HE2 H 1 6.562 0.02 . 1 . . . . 19 TYR HE . 7324 1 208 . 1 1 19 19 TYR C C 13 175.356 0.2 . 1 . . . . 19 TYR C . 7324 1 209 . 1 1 19 19 TYR CA C 13 61.033 0.2 . 1 . . . . 19 TYR CA . 7324 1 210 . 1 1 19 19 TYR CB C 13 36.930 0.2 . 1 . . . . 19 TYR CB . 7324 1 211 . 1 1 19 19 TYR N N 15 123.538 0.2 . 1 . . . . 19 TYR N . 7324 1 212 . 1 1 20 20 LEU H H 1 8.270 0.02 . 1 . . . . 20 LEU H . 7324 1 213 . 1 1 20 20 LEU HA H 1 3.321 0.02 . 1 . . . . 20 LEU HA . 7324 1 214 . 1 1 20 20 LEU HB2 H 1 1.731 0.02 . 1 . . . . 20 LEU HB2 . 7324 1 215 . 1 1 20 20 LEU HB3 H 1 1.342 0.02 . 1 . . . . 20 LEU HB3 . 7324 1 216 . 1 1 20 20 LEU HG H 1 1.638 0.02 . 1 . . . . 20 LEU HG . 7324 1 217 . 1 1 20 20 LEU HD11 H 1 0.870 0.02 . 1 . . . . 20 LEU HD1 . 7324 1 218 . 1 1 20 20 LEU HD12 H 1 0.870 0.02 . 1 . . . . 20 LEU HD1 . 7324 1 219 . 1 1 20 20 LEU HD13 H 1 0.870 0.02 . 1 . . . . 20 LEU HD1 . 7324 1 220 . 1 1 20 20 LEU HD21 H 1 0.793 0.02 . 1 . . . . 20 LEU HD2 . 7324 1 221 . 1 1 20 20 LEU HD22 H 1 0.793 0.02 . 1 . . . . 20 LEU HD2 . 7324 1 222 . 1 1 20 20 LEU HD23 H 1 0.793 0.02 . 1 . . . . 20 LEU HD2 . 7324 1 223 . 1 1 20 20 LEU C C 13 180.069 0.2 . 1 . . . . 20 LEU C . 7324 1 224 . 1 1 20 20 LEU CA C 13 57.787 0.2 . 1 . . . . 20 LEU CA . 7324 1 225 . 1 1 20 20 LEU CB C 13 40.810 0.2 . 1 . . . . 20 LEU CB . 7324 1 226 . 1 1 20 20 LEU CG C 13 26.629 0.2 . 1 . . . . 20 LEU CG . 7324 1 227 . 1 1 20 20 LEU CD1 C 13 25.837 0.2 . 1 . . . . 20 LEU CD1 . 7324 1 228 . 1 1 20 20 LEU CD2 C 13 22.261 0.2 . 1 . . . . 20 LEU CD2 . 7324 1 229 . 1 1 20 20 LEU N N 15 120.549 0.2 . 1 . . . . 20 LEU N . 7324 1 230 . 1 1 21 21 GLN H H 1 7.988 0.02 . 1 . . . . 21 GLN H . 7324 1 231 . 1 1 21 21 GLN HA H 1 3.961 0.02 . 1 . . . . 21 GLN HA . 7324 1 232 . 1 1 21 21 GLN HB2 H 1 1.959 0.02 . 1 . . . . 21 GLN HB2 . 7324 1 233 . 1 1 21 21 GLN HB3 H 1 1.908 0.02 . 1 . . . . 21 GLN HB3 . 7324 1 234 . 1 1 21 21 GLN HG2 H 1 2.413 0.02 . 1 . . . . 21 GLN HG2 . 7324 1 235 . 1 1 21 21 GLN HG3 H 1 2.178 0.02 . 1 . . . . 21 GLN HG3 . 7324 1 236 . 1 1 21 21 GLN HE21 H 1 6.833 0.02 . 1 . . . . 21 GLN HE21 . 7324 1 237 . 1 1 21 21 GLN HE22 H 1 7.475 0.02 . 1 . . . . 21 GLN HE22 . 7324 1 238 . 1 1 21 21 GLN C C 13 178.212 0.2 . 1 . . . . 21 GLN C . 7324 1 239 . 1 1 21 21 GLN CA C 13 58.488 0.2 . 1 . . . . 21 GLN CA . 7324 1 240 . 1 1 21 21 GLN CB C 13 28.456 0.2 . 1 . . . . 21 GLN CB . 7324 1 241 . 1 1 21 21 GLN CG C 13 33.888 0.2 . 1 . . . . 21 GLN CG . 7324 1 242 . 1 1 21 21 GLN N N 15 118.742 0.2 . 1 . . . . 21 GLN N . 7324 1 243 . 1 1 21 21 GLN NE2 N 15 112.725 0.2 . 1 . . . . 21 GLN NE2 . 7324 1 244 . 1 1 22 22 LEU H H 1 7.478 0.02 . 1 . . . . 22 LEU H . 7324 1 245 . 1 1 22 22 LEU HA H 1 4.120 0.02 . 1 . . . . 22 LEU HA . 7324 1 246 . 1 1 22 22 LEU HB2 H 1 2.121 0.02 . 1 . . . . 22 LEU HB2 . 7324 1 247 . 1 1 22 22 LEU HB3 H 1 1.753 0.02 . 1 . . . . 22 LEU HB3 . 7324 1 248 . 1 1 22 22 LEU HG H 1 1.630 0.02 . 1 . . . . 22 LEU HG . 7324 1 249 . 1 1 22 22 LEU HD11 H 1 1.147 0.02 . 1 . . . . 22 LEU HD1 . 7324 1 250 . 1 1 22 22 LEU HD12 H 1 1.147 0.02 . 1 . . . . 22 LEU HD1 . 7324 1 251 . 1 1 22 22 LEU HD13 H 1 1.147 0.02 . 1 . . . . 22 LEU HD1 . 7324 1 252 . 1 1 22 22 LEU HD21 H 1 1.057 0.02 . 1 . . . . 22 LEU HD2 . 7324 1 253 . 1 1 22 22 LEU HD22 H 1 1.057 0.02 . 1 . . . . 22 LEU HD2 . 7324 1 254 . 1 1 22 22 LEU HD23 H 1 1.057 0.02 . 1 . . . . 22 LEU HD2 . 7324 1 255 . 1 1 22 22 LEU C C 13 177.696 0.2 . 1 . . . . 22 LEU C . 7324 1 256 . 1 1 22 22 LEU CA C 13 57.791 0.2 . 1 . . . . 22 LEU CA . 7324 1 257 . 1 1 22 22 LEU CB C 13 41.444 0.2 . 1 . . . . 22 LEU CB . 7324 1 258 . 1 1 22 22 LEU CG C 13 27.598 0.2 . 1 . . . . 22 LEU CG . 7324 1 259 . 1 1 22 22 LEU CD1 C 13 23.044 0.2 . 1 . . . . 22 LEU CD1 . 7324 1 260 . 1 1 22 22 LEU CD2 C 13 26.983 0.2 . 1 . . . . 22 LEU CD2 . 7324 1 261 . 1 1 22 22 LEU N N 15 121.945 0.2 . 1 . . . . 22 LEU N . 7324 1 262 . 1 1 23 23 LYS H H 1 8.606 0.02 . 1 . . . . 23 LYS H . 7324 1 263 . 1 1 23 23 LYS HA H 1 3.712 0.02 . 1 . . . . 23 LYS HA . 7324 1 264 . 1 1 23 23 LYS HB2 H 1 1.649 0.02 . 1 . . . . 23 LYS HB2 . 7324 1 265 . 1 1 23 23 LYS HB3 H 1 1.215 0.02 . 1 . . . . 23 LYS HB3 . 7324 1 266 . 1 1 23 23 LYS HG2 H 1 1.575 0.02 . 1 . . . . 23 LYS HG2 . 7324 1 267 . 1 1 23 23 LYS HG3 H 1 1.140 0.02 . 1 . . . . 23 LYS HG3 . 7324 1 268 . 1 1 23 23 LYS HD2 H 1 1.140 0.02 . 1 . . . . 23 LYS HD . 7324 1 269 . 1 1 23 23 LYS HD3 H 1 1.575 0.02 . 1 . . . . 23 LYS HD . 7324 1 270 . 1 1 23 23 LYS HE2 H 1 2.954 0.02 . 1 . . . . 23 LYS HE2 . 7324 1 271 . 1 1 23 23 LYS HE3 H 1 3.047 0.02 . 1 . . . . 23 LYS HE3 . 7324 1 272 . 1 1 23 23 LYS C C 13 177.059 0.2 . 1 . . . . 23 LYS C . 7324 1 273 . 1 1 23 23 LYS CA C 13 60.241 0.2 . 1 . . . . 23 LYS CA . 7324 1 274 . 1 1 23 23 LYS CB C 13 33.071 0.2 . 1 . . . . 23 LYS CB . 7324 1 275 . 1 1 23 23 LYS CG C 13 24.472 0.2 . 1 . . . . 23 LYS CG . 7324 1 276 . 1 1 23 23 LYS CD C 13 29.681 0.2 . 1 . . . . 23 LYS CD . 7324 1 277 . 1 1 23 23 LYS CE C 13 42.078 0.2 . 1 . . . . 23 LYS CE . 7324 1 278 . 1 1 23 23 LYS N N 15 120.535 0.2 . 1 . . . . 23 LYS N . 7324 1 279 . 1 1 24 24 GLU H H 1 7.637 0.02 . 1 . . . . 24 GLU H . 7324 1 280 . 1 1 24 24 GLU HA H 1 3.997 0.02 . 1 . . . . 24 GLU HA . 7324 1 281 . 1 1 24 24 GLU HB2 H 1 2.004 0.02 . 1 . . . . 24 GLU HB2 . 7324 1 282 . 1 1 24 24 GLU HB3 H 1 1.962 0.02 . 1 . . . . 24 GLU HB3 . 7324 1 283 . 1 1 24 24 GLU HG2 H 1 2.278 0.02 . 1 . . . . 24 GLU HG2 . 7324 1 284 . 1 1 24 24 GLU HG3 H 1 2.153 0.02 . 1 . . . . 24 GLU HG3 . 7324 1 285 . 1 1 24 24 GLU C C 13 179.313 0.2 . 1 . . . . 24 GLU C . 7324 1 286 . 1 1 24 24 GLU CA C 13 59.249 0.2 . 1 . . . . 24 GLU CA . 7324 1 287 . 1 1 24 24 GLU CB C 13 29.398 0.2 . 1 . . . . 24 GLU CB . 7324 1 288 . 1 1 24 24 GLU CG C 13 35.774 0.2 . 1 . . . . 24 GLU CG . 7324 1 289 . 1 1 24 24 GLU N N 15 117.225 0.2 . 1 . . . . 24 GLU N . 7324 1 290 . 1 1 25 25 LYS H H 1 7.812 0.02 . 1 . . . . 25 LYS H . 7324 1 291 . 1 1 25 25 LYS HA H 1 3.990 0.02 . 1 . . . . 25 LYS HA . 7324 1 292 . 1 1 25 25 LYS HB2 H 1 1.755 0.02 . 1 . . . . 25 LYS HB2 . 7324 1 293 . 1 1 25 25 LYS HB3 H 1 1.712 0.02 . 1 . . . . 25 LYS HB3 . 7324 1 294 . 1 1 25 25 LYS HG2 H 1 1.479 0.02 . 1 . . . . 25 LYS HG2 . 7324 1 295 . 1 1 25 25 LYS HG3 H 1 1.105 0.02 . 1 . . . . 25 LYS HG3 . 7324 1 296 . 1 1 25 25 LYS HD2 H 1 1.264 0.02 . 1 . . . . 25 LYS HD2 . 7324 1 297 . 1 1 25 25 LYS HD3 H 1 0.932 0.02 . 1 . . . . 25 LYS HD3 . 7324 1 298 . 1 1 25 25 LYS HE2 H 1 2.119 0.02 . 1 . . . . 25 LYS HE2 . 7324 1 299 . 1 1 25 25 LYS HE3 H 1 1.964 0.02 . 1 . . . . 25 LYS HE3 . 7324 1 300 . 1 1 25 25 LYS C C 13 180.947 0.2 . 1 . . . . 25 LYS C . 7324 1 301 . 1 1 25 25 LYS CA C 13 59.890 0.2 . 1 . . . . 25 LYS CA . 7324 1 302 . 1 1 25 25 LYS CB C 13 33.110 0.2 . 1 . . . . 25 LYS CB . 7324 1 303 . 1 1 25 25 LYS CG C 13 25.281 0.2 . 1 . . . . 25 LYS CG . 7324 1 304 . 1 1 25 25 LYS CD C 13 29.037 0.2 . 1 . . . . 25 LYS CD . 7324 1 305 . 1 1 25 25 LYS CE C 13 40.581 0.2 . 1 . . . . 25 LYS CE . 7324 1 306 . 1 1 25 25 LYS N N 15 120.113 0.2 . 1 . . . . 25 LYS N . 7324 1 307 . 1 1 26 26 LEU H H 1 8.852 0.02 . 1 . . . . 26 LEU H . 7324 1 308 . 1 1 26 26 LEU HA H 1 4.284 0.02 . 1 . . . . 26 LEU HA . 7324 1 309 . 1 1 26 26 LEU HB2 H 1 2.167 0.02 . 1 . . . . 26 LEU HB2 . 7324 1 310 . 1 1 26 26 LEU HB3 H 1 2.064 0.02 . 1 . . . . 26 LEU HB3 . 7324 1 311 . 1 1 26 26 LEU HG H 1 1.276 0.02 . 1 . . . . 26 LEU HG . 7324 1 312 . 1 1 26 26 LEU HD11 H 1 0.823 0.02 . 1 . . . . 26 LEU HD1 . 7324 1 313 . 1 1 26 26 LEU HD12 H 1 0.823 0.02 . 1 . . . . 26 LEU HD1 . 7324 1 314 . 1 1 26 26 LEU HD13 H 1 0.823 0.02 . 1 . . . . 26 LEU HD1 . 7324 1 315 . 1 1 26 26 LEU HD21 H 1 0.775 0.02 . 1 . . . . 26 LEU HD2 . 7324 1 316 . 1 1 26 26 LEU HD22 H 1 0.775 0.02 . 1 . . . . 26 LEU HD2 . 7324 1 317 . 1 1 26 26 LEU HD23 H 1 0.775 0.02 . 1 . . . . 26 LEU HD2 . 7324 1 318 . 1 1 26 26 LEU C C 13 178.814 0.2 . 1 . . . . 26 LEU C . 7324 1 319 . 1 1 26 26 LEU CA C 13 58.114 0.2 . 1 . . . . 26 LEU CA . 7324 1 320 . 1 1 26 26 LEU CB C 13 42.483 0.2 . 1 . . . . 26 LEU CB . 7324 1 321 . 1 1 26 26 LEU CD1 C 13 22.718 0.2 . 1 . . . . 26 LEU CD1 . 7324 1 322 . 1 1 26 26 LEU CD2 C 13 25.697 0.2 . 1 . . . . 26 LEU CD2 . 7324 1 323 . 1 1 26 26 LEU N N 15 120.269 0.2 . 1 . . . . 26 LEU N . 7324 1 324 . 1 1 27 27 GLU H H 1 8.555 0.02 . 1 . . . . 27 GLU H . 7324 1 325 . 1 1 27 27 GLU HA H 1 4.004 0.02 . 1 . . . . 27 GLU HA . 7324 1 326 . 1 1 27 27 GLU HB2 H 1 2.125 0.02 . 1 . . . . 27 GLU HB2 . 7324 1 327 . 1 1 27 27 GLU HB3 H 1 1.952 0.02 . 1 . . . . 27 GLU HB3 . 7324 1 328 . 1 1 27 27 GLU HG2 H 1 2.573 0.02 . 1 . . . . 27 GLU HG2 . 7324 1 329 . 1 1 27 27 GLU HG3 H 1 2.356 0.02 . 1 . . . . 27 GLU HG3 . 7324 1 330 . 1 1 27 27 GLU C C 13 178.693 0.2 . 1 . . . . 27 GLU C . 7324 1 331 . 1 1 27 27 GLU CA C 13 59.325 0.2 . 1 . . . . 27 GLU CA . 7324 1 332 . 1 1 27 27 GLU CB C 13 28.940 0.2 . 1 . . . . 27 GLU CB . 7324 1 333 . 1 1 27 27 GLU CG C 13 36.747 0.2 . 1 . . . . 27 GLU CG . 7324 1 334 . 1 1 27 27 GLU N N 15 119.395 0.2 . 1 . . . . 27 GLU N . 7324 1 335 . 1 1 28 28 HIS H H 1 7.740 0.02 . 1 . . . . 28 HIS H . 7324 1 336 . 1 1 28 28 HIS HA H 1 4.279 0.02 . 1 . . . . 28 HIS HA . 7324 1 337 . 1 1 28 28 HIS HB2 H 1 3.335 0.02 . 1 . . . . 28 HIS HB2 . 7324 1 338 . 1 1 28 28 HIS HB3 H 1 3.294 0.02 . 1 . . . . 28 HIS HB3 . 7324 1 339 . 1 1 28 28 HIS HD1 H 1 7.326 0.02 . 1 . . . . 28 HIS HD1 . 7324 1 340 . 1 1 28 28 HIS HE1 H 1 8.583 0.02 . 1 . . . . 28 HIS HE1 . 7324 1 341 . 1 1 28 28 HIS C C 13 175.941 0.2 . 1 . . . . 28 HIS C . 7324 1 342 . 1 1 28 28 HIS CA C 13 58.169 0.2 . 1 . . . . 28 HIS CA . 7324 1 343 . 1 1 28 28 HIS CB C 13 28.108 0.2 . 1 . . . . 28 HIS CB . 7324 1 344 . 1 1 28 28 HIS N N 15 114.897 0.2 . 1 . . . . 28 HIS N . 7324 1 345 . 1 1 29 29 GLU H H 1 7.608 0.02 . 1 . . . . 29 GLU H . 7324 1 346 . 1 1 29 29 GLU HA H 1 3.837 0.02 . 1 . . . . 29 GLU HA . 7324 1 347 . 1 1 29 29 GLU HB2 H 1 2.106 0.02 . 1 . . . . 29 GLU HB2 . 7324 1 348 . 1 1 29 29 GLU HB3 H 1 1.787 0.02 . 1 . . . . 29 GLU HB3 . 7324 1 349 . 1 1 29 29 GLU HG2 H 1 1.656 0.02 . 1 . . . . 29 GLU HG . 7324 1 350 . 1 1 29 29 GLU HG3 H 1 1.656 0.02 . 1 . . . . 29 GLU HG . 7324 1 351 . 1 1 29 29 GLU C C 13 175.941 0.2 . 1 . . . . 29 GLU C . 7324 1 352 . 1 1 29 29 GLU CA C 13 57.519 0.2 . 1 . . . . 29 GLU CA . 7324 1 353 . 1 1 29 29 GLU CB C 13 29.985 0.2 . 1 . . . . 29 GLU CB . 7324 1 354 . 1 1 29 29 GLU CG C 13 34.970 0.2 . 1 . . . . 29 GLU CG . 7324 1 355 . 1 1 29 29 GLU N N 15 119.321 0.2 . 1 . . . . 29 GLU N . 7324 1 356 . 1 1 30 30 PHE H H 1 7.803 0.02 . 1 . . . . 30 PHE H . 7324 1 357 . 1 1 30 30 PHE HA H 1 4.933 0.02 . 1 . . . . 30 PHE HA . 7324 1 358 . 1 1 30 30 PHE HB2 H 1 2.997 0.02 . 1 . . . . 30 PHE HB2 . 7324 1 359 . 1 1 30 30 PHE HB3 H 1 2.907 0.02 . 1 . . . . 30 PHE HB3 . 7324 1 360 . 1 1 30 30 PHE HD1 H 1 7.284 0.02 . 1 . . . . 30 PHE HD . 7324 1 361 . 1 1 30 30 PHE HD2 H 1 7.284 0.02 . 1 . . . . 30 PHE HD . 7324 1 362 . 1 1 30 30 PHE HE1 H 1 7.060 0.02 . 1 . . . . 30 PHE HE . 7324 1 363 . 1 1 30 30 PHE HE2 H 1 7.060 0.02 . 1 . . . . 30 PHE HE . 7324 1 364 . 1 1 30 30 PHE HZ H 1 7.461 0.02 . 1 . . . . 30 PHE HZ . 7324 1 365 . 1 1 30 30 PHE C C 13 175.993 0.2 . 1 . . . . 30 PHE C . 7324 1 366 . 1 1 30 30 PHE CA C 13 54.419 0.2 . 1 . . . . 30 PHE CA . 7324 1 367 . 1 1 30 30 PHE CB C 13 39.594 0.2 . 1 . . . . 30 PHE CB . 7324 1 368 . 1 1 30 30 PHE N N 15 115.364 0.2 . 1 . . . . 30 PHE N . 7324 1 369 . 1 1 31 31 PRO HA H 1 4.589 0.02 . 1 . . . . 31 PRO HA . 7324 1 370 . 1 1 31 31 PRO HB2 H 1 2.225 0.02 . 1 . . . . 31 PRO HB2 . 7324 1 371 . 1 1 31 31 PRO HB3 H 1 1.910 0.02 . 1 . . . . 31 PRO HB3 . 7324 1 372 . 1 1 31 31 PRO HG2 H 1 2.006 0.02 . 1 . . . . 31 PRO HG2 . 7324 1 373 . 1 1 31 31 PRO HG3 H 1 1.957 0.02 . 1 . . . . 31 PRO HG3 . 7324 1 374 . 1 1 31 31 PRO HD2 H 1 3.374 0.02 . 1 . . . . 31 PRO HD2 . 7324 1 375 . 1 1 31 31 PRO HD3 H 1 3.312 0.02 . 1 . . . . 31 PRO HD3 . 7324 1 376 . 1 1 31 31 PRO C C 13 175.373 0.2 . 1 . . . . 31 PRO C . 7324 1 377 . 1 1 31 31 PRO CA C 13 64.581 0.2 . 1 . . . . 31 PRO CA . 7324 1 378 . 1 1 31 31 PRO CB C 13 31.148 0.2 . 1 . . . . 31 PRO CB . 7324 1 379 . 1 1 31 31 PRO CG C 13 27.908 0.2 . 1 . . . . 31 PRO CG . 7324 1 380 . 1 1 31 31 PRO CD C 13 49.799 0.2 . 1 . . . . 31 PRO CD . 7324 1 381 . 1 1 32 32 GLY H H 1 9.130 0.02 . 1 . . . . 32 GLY H . 7324 1 382 . 1 1 32 32 GLY HA2 H 1 4.076 0.02 . 1 . . . . 32 GLY HA2 . 7324 1 383 . 1 1 32 32 GLY HA3 H 1 3.961 0.02 . 1 . . . . 32 GLY HA3 . 7324 1 384 . 1 1 32 32 GLY C C 13 175.373 0.2 . 1 . . . . 32 GLY C . 7324 1 385 . 1 1 32 32 GLY CA C 13 46.188 0.2 . 1 . . . . 32 GLY CA . 7324 1 386 . 1 1 32 32 GLY N N 15 113.184 0.2 . 1 . . . . 32 GLY N . 7324 1 387 . 1 1 33 33 CYS H H 1 7.639 0.02 . 1 . . . . 33 CYS H . 7324 1 388 . 1 1 33 33 CYS HA H 1 4.639 0.02 . 1 . . . . 33 CYS HA . 7324 1 389 . 1 1 33 33 CYS HB2 H 1 2.829 0.02 . 1 . . . . 33 CYS HB2 . 7324 1 390 . 1 1 33 33 CYS C C 13 174.324 0.2 . 1 . . . . 33 CYS C . 7324 1 391 . 1 1 33 33 CYS CA C 13 60.078 0.2 . 1 . . . . 33 CYS CA . 7324 1 392 . 1 1 33 33 CYS CB C 13 30.056 0.2 . 1 . . . . 33 CYS CB . 7324 1 393 . 1 1 33 33 CYS N N 15 114.771 0.2 . 1 . . . . 33 CYS N . 7324 1 394 . 1 1 34 34 LEU H H 1 9.053 0.02 . 1 . . . . 34 LEU H . 7324 1 395 . 1 1 34 34 LEU HA H 1 5.039 0.02 . 1 . . . . 34 LEU HA . 7324 1 396 . 1 1 34 34 LEU HB2 H 1 2.153 0.02 . 1 . . . . 34 LEU HB2 . 7324 1 397 . 1 1 34 34 LEU HB3 H 1 1.142 0.02 . 1 . . . . 34 LEU HB3 . 7324 1 398 . 1 1 34 34 LEU HG H 1 1.792 0.02 . 1 . . . . 34 LEU HG . 7324 1 399 . 1 1 34 34 LEU HD11 H 1 0.870 0.02 . 1 . . . . 34 LEU HD1 . 7324 1 400 . 1 1 34 34 LEU HD12 H 1 0.870 0.02 . 1 . . . . 34 LEU HD1 . 7324 1 401 . 1 1 34 34 LEU HD13 H 1 0.870 0.02 . 1 . . . . 34 LEU HD1 . 7324 1 402 . 1 1 34 34 LEU HD21 H 1 0.537 0.02 . 1 . . . . 34 LEU HD2 . 7324 1 403 . 1 1 34 34 LEU HD22 H 1 0.537 0.02 . 1 . . . . 34 LEU HD2 . 7324 1 404 . 1 1 34 34 LEU HD23 H 1 0.537 0.02 . 1 . . . . 34 LEU HD2 . 7324 1 405 . 1 1 34 34 LEU C C 13 175.821 0.2 . 1 . . . . 34 LEU C . 7324 1 406 . 1 1 34 34 LEU CA C 13 53.409 0.2 . 1 . . . . 34 LEU CA . 7324 1 407 . 1 1 34 34 LEU CB C 13 44.276 0.2 . 1 . . . . 34 LEU CB . 7324 1 408 . 1 1 34 34 LEU CG C 13 27.213 0.2 . 1 . . . . 34 LEU CG . 7324 1 409 . 1 1 34 34 LEU CD1 C 13 27.156 0.2 . 1 . . . . 34 LEU CD1 . 7324 1 410 . 1 1 34 34 LEU CD2 C 13 23.431 0.2 . 1 . . . . 34 LEU CD2 . 7324 1 411 . 1 1 34 34 LEU N N 15 120.107 0.2 . 1 . . . . 34 LEU N . 7324 1 412 . 1 1 35 35 ASP H H 1 8.778 0.02 . 1 . . . . 35 ASP H . 7324 1 413 . 1 1 35 35 ASP HA H 1 4.793 0.02 . 1 . . . . 35 ASP HA . 7324 1 414 . 1 1 35 35 ASP HB2 H 1 2.451 0.02 . 1 . . . . 35 ASP HB2 . 7324 1 415 . 1 1 35 35 ASP HB3 H 1 2.320 0.02 . 1 . . . . 35 ASP HB3 . 7324 1 416 . 1 1 35 35 ASP C C 13 174.693 0.2 . 1 . . . . 35 ASP C . 7324 1 417 . 1 1 35 35 ASP CA C 13 52.520 0.2 . 1 . . . . 35 ASP CA . 7324 1 418 . 1 1 35 35 ASP CB C 13 41.424 0.2 . 1 . . . . 35 ASP CB . 7324 1 419 . 1 1 35 35 ASP N N 15 125.317 0.2 . 1 . . . . 35 ASP N . 7324 1 420 . 1 1 36 36 ILE H H 1 8.746 0.02 . 1 . . . . 36 ILE H . 7324 1 421 . 1 1 36 36 ILE HA H 1 5.064 0.02 . 1 . . . . 36 ILE HA . 7324 1 422 . 1 1 36 36 ILE HB H 1 1.720 0.02 . 1 . . . . 36 ILE HB . 7324 1 423 . 1 1 36 36 ILE HG12 H 1 0.718 0.02 . 1 . . . . 36 ILE HG1 . 7324 1 424 . 1 1 36 36 ILE HG13 H 1 0.718 0.02 . 1 . . . . 36 ILE HG1 . 7324 1 425 . 1 1 36 36 ILE HG21 H 1 0.932 0.02 . 1 . . . . 36 ILE HG2 . 7324 1 426 . 1 1 36 36 ILE HG22 H 1 0.932 0.02 . 1 . . . . 36 ILE HG2 . 7324 1 427 . 1 1 36 36 ILE HG23 H 1 0.932 0.02 . 1 . . . . 36 ILE HG2 . 7324 1 428 . 1 1 36 36 ILE HD11 H 1 1.062 0.02 . 1 . . . . 36 ILE HD1 . 7324 1 429 . 1 1 36 36 ILE HD12 H 1 1.062 0.02 . 1 . . . . 36 ILE HD1 . 7324 1 430 . 1 1 36 36 ILE HD13 H 1 1.062 0.02 . 1 . . . . 36 ILE HD1 . 7324 1 431 . 1 1 36 36 ILE C C 13 175.322 0.2 . 1 . . . . 36 ILE C . 7324 1 432 . 1 1 36 36 ILE CA C 13 60.947 0.2 . 1 . . . . 36 ILE CA . 7324 1 433 . 1 1 36 36 ILE CB C 13 38.858 0.2 . 1 . . . . 36 ILE CB . 7324 1 434 . 1 1 36 36 ILE CG1 C 13 28.363 0.2 . 1 . . . . 36 ILE CG1 . 7324 1 435 . 1 1 36 36 ILE CG2 C 13 16.933 0.2 . 1 . . . . 36 ILE CG2 . 7324 1 436 . 1 1 36 36 ILE CD1 C 13 16.279 0.2 . 1 . . . . 36 ILE CD1 . 7324 1 437 . 1 1 36 36 ILE N N 15 125.891 0.2 . 1 . . . . 36 ILE N . 7324 1 438 . 1 1 37 37 CYS H H 1 8.637 0.02 . 1 . . . . 37 CYS H . 7324 1 439 . 1 1 37 37 CYS HA H 1 4.906 0.02 . 1 . . . . 37 CYS HA . 7324 1 440 . 1 1 37 37 CYS HB2 H 1 2.853 0.02 . 1 . . . . 37 CYS HB2 . 7324 1 441 . 1 1 37 37 CYS HB3 H 1 2.799 0.02 . 1 . . . . 37 CYS HB3 . 7324 1 442 . 1 1 37 37 CYS C C 13 172.569 0.2 . 1 . . . . 37 CYS C . 7324 1 443 . 1 1 37 37 CYS CA C 13 57.125 0.2 . 1 . . . . 37 CYS CA . 7324 1 444 . 1 1 37 37 CYS CB C 13 30.768 0.2 . 1 . . . . 37 CYS CB . 7324 1 445 . 1 1 37 37 CYS N N 15 125.885 0.2 . 1 . . . . 37 CYS N . 7324 1 446 . 1 1 38 38 GLY H H 1 8.192 0.02 . 1 . . . . 38 GLY H . 7324 1 447 . 1 1 38 38 GLY HA2 H 1 5.069 0.02 . 1 . . . . 38 GLY HA2 . 7324 1 448 . 1 1 38 38 GLY HA3 H 1 2.693 0.02 . 1 . . . . 38 GLY HA3 . 7324 1 449 . 1 1 38 38 GLY C C 13 172.552 0.2 . 1 . . . . 38 GLY C . 7324 1 450 . 1 1 38 38 GLY CA C 13 44.281 0.2 . 1 . . . . 38 GLY CA . 7324 1 451 . 1 1 38 38 GLY N N 15 111.717 0.2 . 1 . . . . 38 GLY N . 7324 1 452 . 1 1 39 39 GLU H H 1 8.545 0.02 . 1 . . . . 39 GLU H . 7324 1 453 . 1 1 39 39 GLU HA H 1 4.317 0.02 . 1 . . . . 39 GLU HA . 7324 1 454 . 1 1 39 39 GLU HB2 H 1 1.797 0.02 . 1 . . . . 39 GLU HB2 . 7324 1 455 . 1 1 39 39 GLU HB3 H 1 1.723 0.02 . 1 . . . . 39 GLU HB3 . 7324 1 456 . 1 1 39 39 GLU HG2 H 1 1.999 0.02 . 1 . . . . 39 GLU HG . 7324 1 457 . 1 1 39 39 GLU HG3 H 1 1.999 0.02 . 1 . . . . 39 GLU HG . 7324 1 458 . 1 1 39 39 GLU CA C 13 54.554 0.2 . 1 . . . . 39 GLU CA . 7324 1 459 . 1 1 39 39 GLU CB C 13 32.612 0.2 . 1 . . . . 39 GLU CB . 7324 1 460 . 1 1 39 39 GLU CG C 13 35.657 0.2 . 1 . . . . 39 GLU CG . 7324 1 461 . 1 1 39 39 GLU N N 15 124.939 0.2 . 1 . . . . 39 GLU N . 7324 1 462 . 1 1 40 40 GLY H H 1 8.241 0.02 . 1 . . . . 40 GLY H . 7324 1 463 . 1 1 40 40 GLY HA2 H 1 4.015 0.02 . 1 . . . . 40 GLY HA2 . 7324 1 464 . 1 1 40 40 GLY HA3 H 1 2.843 0.02 . 1 . . . . 40 GLY HA3 . 7324 1 465 . 1 1 40 40 GLY C C 13 178.814 0.2 . 1 . . . . 40 GLY C . 7324 1 466 . 1 1 40 40 GLY CA C 13 43.898 0.2 . 1 . . . . 40 GLY CA . 7324 1 467 . 1 1 40 40 GLY N N 15 112.587 0.2 . 1 . . . . 40 GLY N . 7324 1 468 . 1 1 41 41 THR HA H 1 4.493 0.02 . 1 . . . . 41 THR HA . 7324 1 469 . 1 1 41 41 THR HB H 1 4.099 0.02 . 1 . . . . 41 THR HB . 7324 1 470 . 1 1 41 41 THR HG21 H 1 0.925 0.02 . 1 . . . . 41 THR HG2 . 7324 1 471 . 1 1 41 41 THR HG22 H 1 0.925 0.02 . 1 . . . . 41 THR HG2 . 7324 1 472 . 1 1 41 41 THR HG23 H 1 0.925 0.02 . 1 . . . . 41 THR HG2 . 7324 1 473 . 1 1 41 41 THR CA C 13 63.491 0.2 . 1 . . . . 41 THR CA . 7324 1 474 . 1 1 41 41 THR CB C 13 69.182 0.2 . 1 . . . . 41 THR CB . 7324 1 475 . 1 1 41 41 THR CG2 C 13 20.715 0.2 . 1 . . . . 41 THR CG2 . 7324 1 476 . 1 1 42 42 PRO HA H 1 4.285 0.02 . 1 . . . . 42 PRO HA . 7324 1 477 . 1 1 42 42 PRO HB2 H 1 1.753 0.02 . 1 . . . . 42 PRO HB2 . 7324 1 478 . 1 1 42 42 PRO HB3 H 1 1.694 0.02 . 1 . . . . 42 PRO HB3 . 7324 1 479 . 1 1 42 42 PRO HG2 H 1 2.011 0.02 . 1 . . . . 42 PRO HG2 . 7324 1 480 . 1 1 42 42 PRO HG3 H 1 2.059 0.02 . 1 . . . . 42 PRO HG3 . 7324 1 481 . 1 1 42 42 PRO HD2 H 1 3.694 0.02 . 1 . . . . 42 PRO HD2 . 7324 1 482 . 1 1 42 42 PRO HD3 H 1 3.607 0.02 . 1 . . . . 42 PRO HD3 . 7324 1 483 . 1 1 42 42 PRO CA C 13 64.194 0.2 . 1 . . . . 42 PRO CA . 7324 1 484 . 1 1 42 42 PRO CB C 13 31.069 0.2 . 1 . . . . 42 PRO CB . 7324 1 485 . 1 1 42 42 PRO CG C 13 27.428 0.2 . 1 . . . . 42 PRO CG . 7324 1 486 . 1 1 42 42 PRO CD C 13 50.584 0.2 . 1 . . . . 42 PRO CD . 7324 1 487 . 1 1 43 43 GLN HE21 H 1 7.460 0.02 . 1 . . . . 43 GLN HE21 . 7324 1 488 . 1 1 43 43 GLN HE22 H 1 6.821 0.02 . 1 . . . . 43 GLN HE22 . 7324 1 489 . 1 1 43 43 GLN NE2 N 15 113.028 0.2 . 1 . . . . 43 GLN NE2 . 7324 1 490 . 1 1 45 45 THR HA H 1 4.112 0.02 . 1 . . . . 45 THR HA . 7324 1 491 . 1 1 45 45 THR HG21 H 1 1.025 0.02 . 1 . . . . 45 THR HG2 . 7324 1 492 . 1 1 45 45 THR HG22 H 1 1.025 0.02 . 1 . . . . 45 THR HG2 . 7324 1 493 . 1 1 45 45 THR HG23 H 1 1.025 0.02 . 1 . . . . 45 THR HG2 . 7324 1 494 . 1 1 45 45 THR C C 13 175.184 0.2 . 1 . . . . 45 THR C . 7324 1 495 . 1 1 45 45 THR CA C 13 61.521 0.2 . 1 . . . . 45 THR CA . 7324 1 496 . 1 1 45 45 THR CB C 13 70.075 0.2 . 1 . . . . 45 THR CB . 7324 1 497 . 1 1 45 45 THR CG2 C 13 21.408 0.2 . 1 . . . . 45 THR CG2 . 7324 1 498 . 1 1 46 46 GLY H H 1 7.822 0.02 . 1 . . . . 46 GLY H . 7324 1 499 . 1 1 46 46 GLY HA2 H 1 4.091 0.02 . 1 . . . . 46 GLY HA2 . 7324 1 500 . 1 1 46 46 GLY HA3 H 1 3.935 0.02 . 1 . . . . 46 GLY HA3 . 7324 1 501 . 1 1 46 46 GLY C C 13 175.442 0.2 . 1 . . . . 46 GLY C . 7324 1 502 . 1 1 46 46 GLY CA C 13 46.056 0.2 . 1 . . . . 46 GLY CA . 7324 1 503 . 1 1 46 46 GLY N N 15 107.529 0.2 . 1 . . . . 46 GLY N . 7324 1 504 . 1 1 47 47 PHE HA H 1 4.633 0.02 . 1 . . . . 47 PHE HA . 7324 1 505 . 1 1 47 47 PHE HB2 H 1 3.014 0.02 . 1 . . . . 47 PHE HB2 . 7324 1 506 . 1 1 47 47 PHE HB3 H 1 2.947 0.02 . 1 . . . . 47 PHE HB3 . 7324 1 507 . 1 1 47 47 PHE HD1 H 1 6.943 0.02 . 1 . . . . 47 PHE HD . 7324 1 508 . 1 1 47 47 PHE HD2 H 1 6.943 0.02 . 1 . . . . 47 PHE HD . 7324 1 509 . 1 1 47 47 PHE HE1 H 1 7.224 0.02 . 1 . . . . 47 PHE HE . 7324 1 510 . 1 1 47 47 PHE HE2 H 1 7.224 0.02 . 1 . . . . 47 PHE HE . 7324 1 511 . 1 1 47 47 PHE HZ H 1 6.931 0.02 . 1 . . . . 47 PHE HZ . 7324 1 512 . 1 1 47 47 PHE C C 13 176.565 0.2 . 1 . . . . 47 PHE C . 7324 1 513 . 1 1 47 47 PHE CA C 13 57.113 0.2 . 1 . . . . 47 PHE CA . 7324 1 514 . 1 1 47 47 PHE CB C 13 38.942 0.2 . 1 . . . . 47 PHE CB . 7324 1 515 . 1 1 48 48 PHE H H 1 10.177 0.02 . 1 . . . . 48 PHE H . 7324 1 516 . 1 1 48 48 PHE HA H 1 4.781 0.02 . 1 . . . . 48 PHE HA . 7324 1 517 . 1 1 48 48 PHE HB2 H 1 3.646 0.02 . 1 . . . . 48 PHE HB2 . 7324 1 518 . 1 1 48 48 PHE HB3 H 1 3.148 0.02 . 1 . . . . 48 PHE HB3 . 7324 1 519 . 1 1 48 48 PHE HD1 H 1 7.474 0.02 . 1 . . . . 48 PHE HD . 7324 1 520 . 1 1 48 48 PHE HD2 H 1 7.474 0.02 . 1 . . . . 48 PHE HD . 7324 1 521 . 1 1 48 48 PHE HE1 H 1 7.191 0.02 . 1 . . . . 48 PHE HE . 7324 1 522 . 1 1 48 48 PHE HE2 H 1 7.191 0.02 . 1 . . . . 48 PHE HE . 7324 1 523 . 1 1 48 48 PHE HZ H 1 7.020 0.02 . 1 . . . . 48 PHE HZ . 7324 1 524 . 1 1 48 48 PHE CA C 13 62.006 0.2 . 1 . . . . 48 PHE CA . 7324 1 525 . 1 1 48 48 PHE CB C 13 39.315 0.2 . 1 . . . . 48 PHE CB . 7324 1 526 . 1 1 48 48 PHE N N 15 125.833 0.2 . 1 . . . . 48 PHE N . 7324 1 527 . 1 1 49 49 GLU H H 1 9.411 0.02 . 1 . . . . 49 GLU H . 7324 1 528 . 1 1 49 49 GLU HA H 1 5.367 0.02 . 1 . . . . 49 GLU HA . 7324 1 529 . 1 1 49 49 GLU HB2 H 1 2.278 0.02 . 1 . . . . 49 GLU HB2 . 7324 1 530 . 1 1 49 49 GLU HB3 H 1 2.225 0.02 . 1 . . . . 49 GLU HB3 . 7324 1 531 . 1 1 49 49 GLU HG2 H 1 2.379 0.02 . 1 . . . . 49 GLU HG2 . 7324 1 532 . 1 1 49 49 GLU C C 13 176.199 0.2 . 1 . . . . 49 GLU C . 7324 1 533 . 1 1 49 49 GLU CA C 13 53.812 0.2 . 1 . . . . 49 GLU CA . 7324 1 534 . 1 1 49 49 GLU CB C 13 32.684 0.2 . 1 . . . . 49 GLU CB . 7324 1 535 . 1 1 49 49 GLU N N 15 128.517 0.2 . 1 . . . . 49 GLU N . 7324 1 536 . 1 1 50 50 VAL H H 1 9.922 0.02 . 1 . . . . 50 VAL H . 7324 1 537 . 1 1 50 50 VAL HA H 1 5.078 0.02 . 1 . . . . 50 VAL HA . 7324 1 538 . 1 1 50 50 VAL HB H 1 2.276 0.02 . 1 . . . . 50 VAL HB . 7324 1 539 . 1 1 50 50 VAL HG11 H 1 0.937 0.02 . 1 . . . . 50 VAL HG1 . 7324 1 540 . 1 1 50 50 VAL HG12 H 1 0.937 0.02 . 1 . . . . 50 VAL HG1 . 7324 1 541 . 1 1 50 50 VAL HG13 H 1 0.937 0.02 . 1 . . . . 50 VAL HG1 . 7324 1 542 . 1 1 50 50 VAL HG21 H 1 0.825 0.02 . 1 . . . . 50 VAL HG2 . 7324 1 543 . 1 1 50 50 VAL HG22 H 1 0.825 0.02 . 1 . . . . 50 VAL HG2 . 7324 1 544 . 1 1 50 50 VAL HG23 H 1 0.825 0.02 . 1 . . . . 50 VAL HG2 . 7324 1 545 . 1 1 50 50 VAL C C 13 174.943 0.2 . 1 . . . . 50 VAL C . 7324 1 546 . 1 1 50 50 VAL CA C 13 61.454 0.2 . 1 . . . . 50 VAL CA . 7324 1 547 . 1 1 50 50 VAL CB C 13 33.754 0.2 . 1 . . . . 50 VAL CB . 7324 1 548 . 1 1 50 50 VAL CG1 C 13 19.997 0.2 . 1 . . . . 50 VAL CG1 . 7324 1 549 . 1 1 50 50 VAL CG2 C 13 21.314 0.2 . 1 . . . . 50 VAL CG2 . 7324 1 550 . 1 1 50 50 VAL N N 15 126.253 0.2 . 1 . . . . 50 VAL N . 7324 1 551 . 1 1 51 51 THR H H 1 9.499 0.02 . 1 . . . . 51 THR H . 7324 1 552 . 1 1 51 51 THR HA H 1 5.360 0.02 . 1 . . . . 51 THR HA . 7324 1 553 . 1 1 51 51 THR HB H 1 3.709 0.02 . 1 . . . . 51 THR HB . 7324 1 554 . 1 1 51 51 THR HG21 H 1 0.937 0.02 . 1 . . . . 51 THR HG2 . 7324 1 555 . 1 1 51 51 THR HG22 H 1 0.937 0.02 . 1 . . . . 51 THR HG2 . 7324 1 556 . 1 1 51 51 THR HG23 H 1 0.937 0.02 . 1 . . . . 51 THR HG2 . 7324 1 557 . 1 1 51 51 THR C C 13 173.859 0.2 . 1 . . . . 51 THR C . 7324 1 558 . 1 1 51 51 THR CA C 13 59.729 0.2 . 1 . . . . 51 THR CA . 7324 1 559 . 1 1 51 51 THR CB C 13 70.759 0.2 . 1 . . . . 51 THR CB . 7324 1 560 . 1 1 51 51 THR CG2 C 13 19.827 0.2 . 1 . . . . 51 THR CG2 . 7324 1 561 . 1 1 51 51 THR N N 15 123.120 0.2 . 1 . . . . 51 THR N . 7324 1 562 . 1 1 52 52 VAL H H 1 8.948 0.02 . 1 . . . . 52 VAL H . 7324 1 563 . 1 1 52 52 VAL HA H 1 4.375 0.02 . 1 . . . . 52 VAL HA . 7324 1 564 . 1 1 52 52 VAL HB H 1 1.891 0.02 . 1 . . . . 52 VAL HB . 7324 1 565 . 1 1 52 52 VAL HG11 H 1 0.799 0.02 . 1 . . . . 52 VAL HG1 . 7324 1 566 . 1 1 52 52 VAL HG12 H 1 0.799 0.02 . 1 . . . . 52 VAL HG1 . 7324 1 567 . 1 1 52 52 VAL HG13 H 1 0.799 0.02 . 1 . . . . 52 VAL HG1 . 7324 1 568 . 1 1 52 52 VAL HG21 H 1 0.717 0.02 . 1 . . . . 52 VAL HG2 . 7324 1 569 . 1 1 52 52 VAL HG22 H 1 0.717 0.02 . 1 . . . . 52 VAL HG2 . 7324 1 570 . 1 1 52 52 VAL HG23 H 1 0.717 0.02 . 1 . . . . 52 VAL HG2 . 7324 1 571 . 1 1 52 52 VAL C C 13 175.545 0.2 . 1 . . . . 52 VAL C . 7324 1 572 . 1 1 52 52 VAL CA C 13 61.147 0.2 . 1 . . . . 52 VAL CA . 7324 1 573 . 1 1 52 52 VAL CB C 13 34.183 0.2 . 1 . . . . 52 VAL CB . 7324 1 574 . 1 1 52 52 VAL CG1 C 13 21.697 0.2 . 1 . . . . 52 VAL CG1 . 7324 1 575 . 1 1 52 52 VAL CG2 C 13 21.915 0.2 . 1 . . . . 52 VAL CG2 . 7324 1 576 . 1 1 52 52 VAL N N 15 124.086 0.2 . 1 . . . . 52 VAL N . 7324 1 577 . 1 1 53 53 ALA H H 1 9.450 0.02 . 1 . . . . 53 ALA H . 7324 1 578 . 1 1 53 53 ALA HA H 1 4.069 0.02 . 1 . . . . 53 ALA HA . 7324 1 579 . 1 1 53 53 ALA HB1 H 1 1.391 0.02 . 1 . . . . 53 ALA HB . 7324 1 580 . 1 1 53 53 ALA HB2 H 1 1.391 0.02 . 1 . . . . 53 ALA HB . 7324 1 581 . 1 1 53 53 ALA HB3 H 1 1.391 0.02 . 1 . . . . 53 ALA HB . 7324 1 582 . 1 1 53 53 ALA C C 13 176.921 0.2 . 1 . . . . 53 ALA C . 7324 1 583 . 1 1 53 53 ALA CA C 13 53.059 0.2 . 1 . . . . 53 ALA CA . 7324 1 584 . 1 1 53 53 ALA CB C 13 17.079 0.2 . 1 . . . . 53 ALA CB . 7324 1 585 . 1 1 53 53 ALA N N 15 133.571 0.2 . 1 . . . . 53 ALA N . 7324 1 586 . 1 1 54 54 GLY H H 1 8.591 0.02 . 1 . . . . 54 GLY H . 7324 1 587 . 1 1 54 54 GLY HA2 H 1 4.164 0.02 . 1 . . . . 54 GLY HA2 . 7324 1 588 . 1 1 54 54 GLY HA3 H 1 3.454 0.02 . 1 . . . . 54 GLY HA3 . 7324 1 589 . 1 1 54 54 GLY C C 13 173.567 0.2 . 1 . . . . 54 GLY C . 7324 1 590 . 1 1 54 54 GLY CA C 13 45.109 0.2 . 1 . . . . 54 GLY CA . 7324 1 591 . 1 1 54 54 GLY N N 15 103.213 0.2 . 1 . . . . 54 GLY N . 7324 1 592 . 1 1 55 55 LYS H H 1 7.829 0.02 . 1 . . . . 55 LYS H . 7324 1 593 . 1 1 55 55 LYS HA H 1 4.500 0.02 . 1 . . . . 55 LYS HA . 7324 1 594 . 1 1 55 55 LYS HB2 H 1 1.770 0.02 . 1 . . . . 55 LYS HB2 . 7324 1 595 . 1 1 55 55 LYS HG2 H 1 1.389 0.02 . 1 . . . . 55 LYS HG2 . 7324 1 596 . 1 1 55 55 LYS HG3 H 1 1.211 0.02 . 1 . . . . 55 LYS HG3 . 7324 1 597 . 1 1 55 55 LYS HD2 H 1 1.619 0.02 . 1 . . . . 55 LYS HD . 7324 1 598 . 1 1 55 55 LYS HD3 H 1 1.619 0.02 . 1 . . . . 55 LYS HD . 7324 1 599 . 1 1 55 55 LYS HE2 H 1 2.954 0.02 . 1 . . . . 55 LYS HE . 7324 1 600 . 1 1 55 55 LYS HE3 H 1 2.954 0.02 . 1 . . . . 55 LYS HE . 7324 1 601 . 1 1 55 55 LYS C C 13 175.322 0.2 . 1 . . . . 55 LYS C . 7324 1 602 . 1 1 55 55 LYS CA C 13 54.618 0.2 . 1 . . . . 55 LYS CA . 7324 1 603 . 1 1 55 55 LYS CB C 13 33.741 0.2 . 1 . . . . 55 LYS CB . 7324 1 604 . 1 1 55 55 LYS CG C 13 24.782 0.2 . 1 . . . . 55 LYS CG . 7324 1 605 . 1 1 55 55 LYS CD C 13 28.817 0.2 . 1 . . . . 55 LYS CD . 7324 1 606 . 1 1 55 55 LYS CE C 13 42.275 0.2 . 1 . . . . 55 LYS CE . 7324 1 607 . 1 1 55 55 LYS N N 15 122.581 0.2 . 1 . . . . 55 LYS N . 7324 1 608 . 1 1 56 56 LEU H H 1 8.866 0.02 . 1 . . . . 56 LEU H . 7324 1 609 . 1 1 56 56 LEU HA H 1 4.384 0.02 . 1 . . . . 56 LEU HA . 7324 1 610 . 1 1 56 56 LEU HB2 H 1 1.879 0.02 . 1 . . . . 56 LEU HB2 . 7324 1 611 . 1 1 56 56 LEU HB3 H 1 1.380 0.02 . 1 . . . . 56 LEU HB3 . 7324 1 612 . 1 1 56 56 LEU HD11 H 1 1.176 0.02 . 1 . . . . 56 LEU HD1 . 7324 1 613 . 1 1 56 56 LEU HD12 H 1 1.176 0.02 . 1 . . . . 56 LEU HD1 . 7324 1 614 . 1 1 56 56 LEU HD13 H 1 1.176 0.02 . 1 . . . . 56 LEU HD1 . 7324 1 615 . 1 1 56 56 LEU HD21 H 1 0.881 0.02 . 1 . . . . 56 LEU HD2 . 7324 1 616 . 1 1 56 56 LEU HD22 H 1 0.881 0.02 . 1 . . . . 56 LEU HD2 . 7324 1 617 . 1 1 56 56 LEU HD23 H 1 0.881 0.02 . 1 . . . . 56 LEU HD2 . 7324 1 618 . 1 1 56 56 LEU C C 13 176.457 0.2 . 1 . . . . 56 LEU C . 7324 1 619 . 1 1 56 56 LEU CA C 13 55.429 0.2 . 1 . . . . 56 LEU CA . 7324 1 620 . 1 1 56 56 LEU CB C 13 41.558 0.2 . 1 . . . . 56 LEU CB . 7324 1 621 . 1 1 56 56 LEU CD1 C 13 27.007 0.2 . 1 . . . . 56 LEU CD1 . 7324 1 622 . 1 1 56 56 LEU CD2 C 13 26.003 0.2 . 1 . . . . 56 LEU CD2 . 7324 1 623 . 1 1 56 56 LEU N N 15 129.297 0.2 . 1 . . . . 56 LEU N . 7324 1 624 . 1 1 57 57 VAL H H 1 8.717 0.02 . 1 . . . . 57 VAL H . 7324 1 625 . 1 1 57 57 VAL HA H 1 4.362 0.02 . 1 . . . . 57 VAL HA . 7324 1 626 . 1 1 57 57 VAL HB H 1 1.949 0.02 . 1 . . . . 57 VAL HB . 7324 1 627 . 1 1 57 57 VAL HG11 H 1 0.914 0.02 . 1 . . . . 57 VAL HG1 . 7324 1 628 . 1 1 57 57 VAL HG12 H 1 0.914 0.02 . 1 . . . . 57 VAL HG1 . 7324 1 629 . 1 1 57 57 VAL HG13 H 1 0.914 0.02 . 1 . . . . 57 VAL HG1 . 7324 1 630 . 1 1 57 57 VAL HG21 H 1 0.865 0.02 . 1 . . . . 57 VAL HG2 . 7324 1 631 . 1 1 57 57 VAL HG22 H 1 0.865 0.02 . 1 . . . . 57 VAL HG2 . 7324 1 632 . 1 1 57 57 VAL HG23 H 1 0.865 0.02 . 1 . . . . 57 VAL HG2 . 7324 1 633 . 1 1 57 57 VAL C C 13 174.823 0.2 . 1 . . . . 57 VAL C . 7324 1 634 . 1 1 57 57 VAL CA C 13 62.614 0.2 . 1 . . . . 57 VAL CA . 7324 1 635 . 1 1 57 57 VAL CB C 13 33.607 0.2 . 1 . . . . 57 VAL CB . 7324 1 636 . 1 1 57 57 VAL CG1 C 13 21.738 0.2 . 1 . . . . 57 VAL CG1 . 7324 1 637 . 1 1 57 57 VAL CG2 C 13 21.306 0.2 . 1 . . . . 57 VAL CG2 . 7324 1 638 . 1 1 57 57 VAL N N 15 125.880 0.2 . 1 . . . . 57 VAL N . 7324 1 639 . 1 1 58 58 HIS H H 1 7.477 0.02 . 1 . . . . 58 HIS H . 7324 1 640 . 1 1 58 58 HIS HA H 1 4.524 0.02 . 1 . . . . 58 HIS HA . 7324 1 641 . 1 1 58 58 HIS HB2 H 1 2.939 0.02 . 1 . . . . 58 HIS HB2 . 7324 1 642 . 1 1 58 58 HIS HB3 H 1 2.912 0.02 . 1 . . . . 58 HIS HB3 . 7324 1 643 . 1 1 58 58 HIS HD2 H 1 7.242 0.02 . 1 . . . . 58 HIS HD2 . 7324 1 644 . 1 1 58 58 HIS C C 13 173.326 0.2 . 1 . . . . 58 HIS C . 7324 1 645 . 1 1 58 58 HIS CA C 13 56.523 0.2 . 1 . . . . 58 HIS CA . 7324 1 646 . 1 1 58 58 HIS CB C 13 34.739 0.2 . 1 . . . . 58 HIS CB . 7324 1 647 . 1 1 58 58 HIS N N 15 120.257 0.2 . 1 . . . . 58 HIS N . 7324 1 648 . 1 1 59 59 SER H H 1 10.004 0.02 . 1 . . . . 59 SER H . 7324 1 649 . 1 1 59 59 SER HA H 1 5.123 0.02 . 1 . . . . 59 SER HA . 7324 1 650 . 1 1 59 59 SER HB2 H 1 3.527 0.02 . 1 . . . . 59 SER HB2 . 7324 1 651 . 1 1 59 59 SER HB3 H 1 3.357 0.02 . 1 . . . . 59 SER HB3 . 7324 1 652 . 1 1 59 59 SER C C 13 174.118 0.2 . 1 . . . . 59 SER C . 7324 1 653 . 1 1 59 59 SER CA C 13 55.236 0.2 . 1 . . . . 59 SER CA . 7324 1 654 . 1 1 59 59 SER CB C 13 63.723 0.2 . 1 . . . . 59 SER CB . 7324 1 655 . 1 1 59 59 SER N N 15 125.867 0.2 . 1 . . . . 59 SER N . 7324 1 656 . 1 1 60 60 LYS H H 1 8.679 0.02 . 1 . . . . 60 LYS H . 7324 1 657 . 1 1 60 60 LYS HA H 1 4.080 0.02 . 1 . . . . 60 LYS HA . 7324 1 658 . 1 1 60 60 LYS HB2 H 1 2.095 0.02 . 1 . . . . 60 LYS HB2 . 7324 1 659 . 1 1 60 60 LYS HB3 H 1 1.976 0.02 . 1 . . . . 60 LYS HB3 . 7324 1 660 . 1 1 60 60 LYS HG2 H 1 0.966 0.02 . 1 . . . . 60 LYS HG2 . 7324 1 661 . 1 1 60 60 LYS HG3 H 1 0.949 0.02 . 1 . . . . 60 LYS HG3 . 7324 1 662 . 1 1 60 60 LYS HD2 H 1 1.424 0.02 . 1 . . . . 60 LYS HD2 . 7324 1 663 . 1 1 60 60 LYS HD3 H 1 1.391 0.02 . 1 . . . . 60 LYS HD3 . 7324 1 664 . 1 1 60 60 LYS HE2 H 1 3.619 0.02 . 1 . . . . 60 LYS HE2 . 7324 1 665 . 1 1 60 60 LYS C C 13 181.188 0.2 . 1 . . . . 60 LYS C . 7324 1 666 . 1 1 60 60 LYS CA C 13 60.129 0.2 . 1 . . . . 60 LYS CA . 7324 1 667 . 1 1 60 60 LYS CB C 13 34.513 0.2 . 1 . . . . 60 LYS CB . 7324 1 668 . 1 1 60 60 LYS CD C 13 25.817 0.2 . 1 . . . . 60 LYS CD . 7324 1 669 . 1 1 60 60 LYS N N 15 137.023 0.2 . 1 . . . . 60 LYS N . 7324 1 670 . 1 1 61 61 LYS H H 1 9.908 0.02 . 1 . . . . 61 LYS H . 7324 1 671 . 1 1 61 61 LYS HA H 1 3.902 0.02 . 1 . . . . 61 LYS HA . 7324 1 672 . 1 1 61 61 LYS HB2 H 1 1.467 0.02 . 1 . . . . 61 LYS HB2 . 7324 1 673 . 1 1 61 61 LYS HB3 H 1 1.446 0.02 . 1 . . . . 61 LYS HB3 . 7324 1 674 . 1 1 61 61 LYS HG2 H 1 1.082 0.02 . 1 . . . . 61 LYS HG . 7324 1 675 . 1 1 61 61 LYS HG3 H 1 1.082 0.02 . 1 . . . . 61 LYS HG . 7324 1 676 . 1 1 61 61 LYS HD2 H 1 1.123 0.02 . 1 . . . . 61 LYS HD . 7324 1 677 . 1 1 61 61 LYS HD3 H 1 1.123 0.02 . 1 . . . . 61 LYS HD . 7324 1 678 . 1 1 61 61 LYS HE2 H 1 2.554 0.02 . 1 . . . . 61 LYS HE . 7324 1 679 . 1 1 61 61 LYS HE3 H 1 2.554 0.02 . 1 . . . . 61 LYS HE . 7324 1 680 . 1 1 61 61 LYS C C 13 178.298 0.2 . 1 . . . . 61 LYS C . 7324 1 681 . 1 1 61 61 LYS CA C 13 59.014 0.2 . 1 . . . . 61 LYS CA . 7324 1 682 . 1 1 61 61 LYS CB C 13 31.346 0.2 . 1 . . . . 61 LYS CB . 7324 1 683 . 1 1 61 61 LYS CG C 13 23.968 0.2 . 1 . . . . 61 LYS CG . 7324 1 684 . 1 1 61 61 LYS CD C 13 28.279 0.2 . 1 . . . . 61 LYS CD . 7324 1 685 . 1 1 61 61 LYS CE C 13 41.377 0.2 . 1 . . . . 61 LYS CE . 7324 1 686 . 1 1 61 61 LYS N N 15 125.430 0.2 . 1 . . . . 61 LYS N . 7324 1 687 . 1 1 62 62 ARG H H 1 7.907 0.02 . 1 . . . . 62 ARG H . 7324 1 688 . 1 1 62 62 ARG HA H 1 4.262 0.02 . 1 . . . . 62 ARG HA . 7324 1 689 . 1 1 62 62 ARG HB2 H 1 1.887 0.02 . 1 . . . . 62 ARG HB2 . 7324 1 690 . 1 1 62 62 ARG HB3 H 1 1.735 0.02 . 1 . . . . 62 ARG HB3 . 7324 1 691 . 1 1 62 62 ARG HG2 H 1 1.732 0.02 . 1 . . . . 62 ARG HG2 . 7324 1 692 . 1 1 62 62 ARG HG3 H 1 1.572 0.02 . 1 . . . . 62 ARG HG3 . 7324 1 693 . 1 1 62 62 ARG HD2 H 1 3.130 0.02 . 1 . . . . 62 ARG HD2 . 7324 1 694 . 1 1 62 62 ARG HD3 H 1 2.975 0.02 . 1 . . . . 62 ARG HD3 . 7324 1 695 . 1 1 62 62 ARG HE H 1 7.398 0.02 . 1 . . . . 62 ARG HE . 7324 1 696 . 1 1 62 62 ARG HH11 H 1 6.864 0.02 . 1 . . . . 62 ARG HH1 . 7324 1 697 . 1 1 62 62 ARG HH12 H 1 6.864 0.02 . 1 . . . . 62 ARG HH1 . 7324 1 698 . 1 1 62 62 ARG HH21 H 1 6.531 0.02 . 1 . . . . 62 ARG HH2 . 7324 1 699 . 1 1 62 62 ARG HH22 H 1 6.531 0.02 . 1 . . . . 62 ARG HH2 . 7324 1 700 . 1 1 62 62 ARG C C 13 176.251 0.2 . 1 . . . . 62 ARG C . 7324 1 701 . 1 1 62 62 ARG CA C 13 56.041 0.2 . 1 . . . . 62 ARG CA . 7324 1 702 . 1 1 62 62 ARG CB C 13 30.337 0.2 . 1 . . . . 62 ARG CB . 7324 1 703 . 1 1 62 62 ARG CG C 13 26.062 0.2 . 1 . . . . 62 ARG CG . 7324 1 704 . 1 1 62 62 ARG CD C 13 43.972 0.2 . 1 . . . . 62 ARG CD . 7324 1 705 . 1 1 62 62 ARG N N 15 117.222 0.2 . 1 . . . . 62 ARG N . 7324 1 706 . 1 1 62 62 ARG NE N 15 122.426 0.2 . 1 . . . . 62 ARG NE . 7324 1 707 . 1 1 63 63 GLY H H 1 7.591 0.02 . 1 . . . . 63 GLY H . 7324 1 708 . 1 1 63 63 GLY HA2 H 1 4.558 0.02 . 1 . . . . 63 GLY HA2 . 7324 1 709 . 1 1 63 63 GLY HA3 H 1 3.835 0.02 . 1 . . . . 63 GLY HA3 . 7324 1 710 . 1 1 63 63 GLY C C 13 175.821 0.2 . 1 . . . . 63 GLY C . 7324 1 711 . 1 1 63 63 GLY CA C 13 45.054 0.2 . 1 . . . . 63 GLY CA . 7324 1 712 . 1 1 63 63 GLY N N 15 105.891 0.2 . 1 . . . . 63 GLY N . 7324 1 713 . 1 1 64 64 ASP H H 1 8.138 0.02 . 1 . . . . 64 ASP H . 7324 1 714 . 1 1 64 64 ASP HA H 1 4.387 0.02 . 1 . . . . 64 ASP HA . 7324 1 715 . 1 1 64 64 ASP HB2 H 1 2.313 0.02 . 1 . . . . 64 ASP HB2 . 7324 1 716 . 1 1 64 64 ASP HB3 H 1 1.289 0.02 . 1 . . . . 64 ASP HB3 . 7324 1 717 . 1 1 64 64 ASP C C 13 175.322 0.2 . 1 . . . . 64 ASP C . 7324 1 718 . 1 1 64 64 ASP CA C 13 55.250 0.2 . 1 . . . . 64 ASP CA . 7324 1 719 . 1 1 64 64 ASP CB C 13 39.600 0.2 . 1 . . . . 64 ASP CB . 7324 1 720 . 1 1 64 64 ASP N N 15 119.801 0.2 . 1 . . . . 64 ASP N . 7324 1 721 . 1 1 65 65 GLY H H 1 8.423 0.02 . 1 . . . . 65 GLY H . 7324 1 722 . 1 1 65 65 GLY HA2 H 1 4.025 0.02 . 1 . . . . 65 GLY HA2 . 7324 1 723 . 1 1 65 65 GLY HA3 H 1 3.621 0.02 . 1 . . . . 65 GLY HA3 . 7324 1 724 . 1 1 65 65 GLY C C 13 174.823 0.2 . 1 . . . . 65 GLY C . 7324 1 725 . 1 1 65 65 GLY CA C 13 44.906 0.2 . 1 . . . . 65 GLY CA . 7324 1 726 . 1 1 65 65 GLY N N 15 107.760 0.2 . 1 . . . . 65 GLY N . 7324 1 727 . 1 1 66 66 TYR H H 1 8.663 0.02 . 1 . . . . 66 TYR H . 7324 1 728 . 1 1 66 66 TYR HA H 1 4.229 0.02 . 1 . . . . 66 TYR HA . 7324 1 729 . 1 1 66 66 TYR HB2 H 1 2.843 0.02 . 1 . . . . 66 TYR HB2 . 7324 1 730 . 1 1 66 66 TYR HB3 H 1 2.314 0.02 . 1 . . . . 66 TYR HB3 . 7324 1 731 . 1 1 66 66 TYR HD1 H 1 6.486 0.02 . 1 . . . . 66 TYR HD . 7324 1 732 . 1 1 66 66 TYR HD2 H 1 6.486 0.02 . 1 . . . . 66 TYR HD . 7324 1 733 . 1 1 66 66 TYR HE1 H 1 6.248 0.02 . 1 . . . . 66 TYR HE . 7324 1 734 . 1 1 66 66 TYR HE2 H 1 6.248 0.02 . 1 . . . . 66 TYR HE . 7324 1 735 . 1 1 66 66 TYR C C 13 175.459 0.2 . 1 . . . . 66 TYR C . 7324 1 736 . 1 1 66 66 TYR CA C 13 57.288 0.2 . 1 . . . . 66 TYR CA . 7324 1 737 . 1 1 66 66 TYR CB C 13 38.283 0.2 . 1 . . . . 66 TYR CB . 7324 1 738 . 1 1 66 66 TYR N N 15 121.021 0.2 . 1 . . . . 66 TYR N . 7324 1 739 . 1 1 67 67 VAL H H 1 8.506 0.02 . 1 . . . . 67 VAL H . 7324 1 740 . 1 1 67 67 VAL HA H 1 3.810 0.02 . 1 . . . . 67 VAL HA . 7324 1 741 . 1 1 67 67 VAL HB H 1 2.143 0.02 . 1 . . . . 67 VAL HB . 7324 1 742 . 1 1 67 67 VAL HG11 H 1 0.846 0.02 . 1 . . . . 67 VAL HG1 . 7324 1 743 . 1 1 67 67 VAL HG12 H 1 0.846 0.02 . 1 . . . . 67 VAL HG1 . 7324 1 744 . 1 1 67 67 VAL HG13 H 1 0.846 0.02 . 1 . . . . 67 VAL HG1 . 7324 1 745 . 1 1 67 67 VAL HG21 H 1 0.045 0.02 . 1 . . . . 67 VAL HG2 . 7324 1 746 . 1 1 67 67 VAL HG22 H 1 0.045 0.02 . 1 . . . . 67 VAL HG2 . 7324 1 747 . 1 1 67 67 VAL HG23 H 1 0.045 0.02 . 1 . . . . 67 VAL HG2 . 7324 1 748 . 1 1 67 67 VAL C C 13 175.924 0.2 . 1 . . . . 67 VAL C . 7324 1 749 . 1 1 67 67 VAL CA C 13 61.264 0.2 . 1 . . . . 67 VAL CA . 7324 1 750 . 1 1 67 67 VAL CB C 13 27.978 0.2 . 1 . . . . 67 VAL CB . 7324 1 751 . 1 1 67 67 VAL CG1 C 13 22.274 0.2 . 1 . . . . 67 VAL CG1 . 7324 1 752 . 1 1 67 67 VAL CG2 C 13 18.220 0.2 . 1 . . . . 67 VAL CG2 . 7324 1 753 . 1 1 67 67 VAL N N 15 120.565 0.2 . 1 . . . . 67 VAL N . 7324 1 754 . 1 1 68 68 ASP H H 1 7.997 0.02 . 1 . . . . 68 ASP H . 7324 1 755 . 1 1 68 68 ASP HA H 1 4.610 0.02 . 1 . . . . 68 ASP HA . 7324 1 756 . 1 1 68 68 ASP HB2 H 1 3.038 0.02 . 1 . . . . 68 ASP HB2 . 7324 1 757 . 1 1 68 68 ASP HB3 H 1 2.107 0.02 . 1 . . . . 68 ASP HB3 . 7324 1 758 . 1 1 68 68 ASP C C 13 175.700 0.2 . 1 . . . . 68 ASP C . 7324 1 759 . 1 1 68 68 ASP CA C 13 52.928 0.2 . 1 . . . . 68 ASP CA . 7324 1 760 . 1 1 68 68 ASP CB C 13 40.542 0.2 . 1 . . . . 68 ASP CB . 7324 1 761 . 1 1 68 68 ASP N N 15 121.384 0.2 . 1 . . . . 68 ASP N . 7324 1 762 . 1 1 69 69 THR H H 1 7.308 0.02 . 1 . . . . 69 THR H . 7324 1 763 . 1 1 69 69 THR HA H 1 4.752 0.02 . 1 . . . . 69 THR HA . 7324 1 764 . 1 1 69 69 THR HB H 1 4.625 0.02 . 1 . . . . 69 THR HB . 7324 1 765 . 1 1 69 69 THR HG21 H 1 1.252 0.02 . 1 . . . . 69 THR HG2 . 7324 1 766 . 1 1 69 69 THR HG22 H 1 1.252 0.02 . 1 . . . . 69 THR HG2 . 7324 1 767 . 1 1 69 69 THR HG23 H 1 1.252 0.02 . 1 . . . . 69 THR HG2 . 7324 1 768 . 1 1 69 69 THR C C 13 175.081 0.2 . 1 . . . . 69 THR C . 7324 1 769 . 1 1 69 69 THR CA C 13 58.643 0.2 . 1 . . . . 69 THR CA . 7324 1 770 . 1 1 69 69 THR CB C 13 73.100 0.2 . 1 . . . . 69 THR CB . 7324 1 771 . 1 1 69 69 THR CG2 C 13 21.615 0.2 . 1 . . . . 69 THR CG2 . 7324 1 772 . 1 1 69 69 THR N N 15 107.829 0.2 . 1 . . . . 69 THR N . 7324 1 773 . 1 1 70 70 GLU H H 1 9.177 0.02 . 1 . . . . 70 GLU H . 7324 1 774 . 1 1 70 70 GLU HA H 1 4.228 0.02 . 1 . . . . 70 GLU HA . 7324 1 775 . 1 1 70 70 GLU HB2 H 1 2.090 0.02 . 1 . . . . 70 GLU HB2 . 7324 1 776 . 1 1 70 70 GLU HB3 H 1 2.012 0.02 . 1 . . . . 70 GLU HB3 . 7324 1 777 . 1 1 70 70 GLU HG2 H 1 2.347 0.02 . 1 . . . . 70 GLU HG2 . 7324 1 778 . 1 1 70 70 GLU C C 13 178.934 0.2 . 1 . . . . 70 GLU C . 7324 1 779 . 1 1 70 70 GLU CA C 13 59.158 0.2 . 1 . . . . 70 GLU CA . 7324 1 780 . 1 1 70 70 GLU CB C 13 28.769 0.2 . 1 . . . . 70 GLU CB . 7324 1 781 . 1 1 70 70 GLU CG C 13 35.601 0.2 . 1 . . . . 70 GLU CG . 7324 1 782 . 1 1 70 70 GLU N N 15 124.168 0.2 . 1 . . . . 70 GLU N . 7324 1 783 . 1 1 71 71 SER H H 1 8.658 0.02 . 1 . . . . 71 SER H . 7324 1 784 . 1 1 71 71 SER HA H 1 4.164 0.02 . 1 . . . . 71 SER HA . 7324 1 785 . 1 1 71 71 SER HB2 H 1 3.916 0.02 . 1 . . . . 71 SER HB2 . 7324 1 786 . 1 1 71 71 SER HB3 H 1 3.856 0.02 . 1 . . . . 71 SER HB3 . 7324 1 787 . 1 1 71 71 SER C C 13 177.868 0.2 . 1 . . . . 71 SER C . 7324 1 788 . 1 1 71 71 SER CA C 13 61.578 0.2 . 1 . . . . 71 SER CA . 7324 1 789 . 1 1 71 71 SER CB C 13 62.237 0.2 . 1 . . . . 71 SER CB . 7324 1 790 . 1 1 71 71 SER N N 15 114.928 0.2 . 1 . . . . 71 SER N . 7324 1 791 . 1 1 72 72 LYS H H 1 7.825 0.02 . 1 . . . . 72 LYS H . 7324 1 792 . 1 1 72 72 LYS HA H 1 4.157 0.02 . 1 . . . . 72 LYS HA . 7324 1 793 . 1 1 72 72 LYS HB2 H 1 1.997 0.02 . 1 . . . . 72 LYS HB2 . 7324 1 794 . 1 1 72 72 LYS HB3 H 1 1.900 0.02 . 1 . . . . 72 LYS HB3 . 7324 1 795 . 1 1 72 72 LYS HG2 H 1 1.655 0.02 . 1 . . . . 72 LYS HG . 7324 1 796 . 1 1 72 72 LYS HG3 H 1 1.655 0.02 . 1 . . . . 72 LYS HG . 7324 1 797 . 1 1 72 72 LYS HD2 H 1 2.123 0.02 . 1 . . . . 72 LYS HD . 7324 1 798 . 1 1 72 72 LYS HD3 H 1 2.123 0.02 . 1 . . . . 72 LYS HD . 7324 1 799 . 1 1 72 72 LYS HE2 H 1 3.251 0.02 . 1 . . . . 72 LYS HE2 . 7324 1 800 . 1 1 72 72 LYS HE3 H 1 3.151 0.02 . 1 . . . . 72 LYS HE3 . 7324 1 801 . 1 1 72 72 LYS C C 13 179.571 0.2 . 1 . . . . 72 LYS C . 7324 1 802 . 1 1 72 72 LYS CA C 13 59.669 0.2 . 1 . . . . 72 LYS CA . 7324 1 803 . 1 1 72 72 LYS CB C 13 35.337 0.2 . 1 . . . . 72 LYS CB . 7324 1 804 . 1 1 72 72 LYS CG C 13 25.949 0.2 . 1 . . . . 72 LYS CG . 7324 1 805 . 1 1 72 72 LYS CD C 13 32.922 0.2 . 1 . . . . 72 LYS CD . 7324 1 806 . 1 1 72 72 LYS CE C 13 42.080 0.2 . 1 . . . . 72 LYS CE . 7324 1 807 . 1 1 72 72 LYS N N 15 122.010 0.2 . 1 . . . . 72 LYS N . 7324 1 808 . 1 1 73 73 PHE H H 1 8.320 0.02 . 1 . . . . 73 PHE H . 7324 1 809 . 1 1 73 73 PHE HA H 1 3.967 0.02 . 1 . . . . 73 PHE HA . 7324 1 810 . 1 1 73 73 PHE HB2 H 1 3.157 0.02 . 1 . . . . 73 PHE HB2 . 7324 1 811 . 1 1 73 73 PHE HB3 H 1 3.058 0.02 . 1 . . . . 73 PHE HB3 . 7324 1 812 . 1 1 73 73 PHE HD1 H 1 7.055 0.02 . 1 . . . . 73 PHE HD . 7324 1 813 . 1 1 73 73 PHE HD2 H 1 7.055 0.02 . 1 . . . . 73 PHE HD . 7324 1 814 . 1 1 73 73 PHE HE1 H 1 7.100 0.02 . 1 . . . . 73 PHE HE . 7324 1 815 . 1 1 73 73 PHE HE2 H 1 7.100 0.02 . 1 . . . . 73 PHE HE . 7324 1 816 . 1 1 73 73 PHE HZ H 1 6.865 0.02 . 1 . . . . 73 PHE HZ . 7324 1 817 . 1 1 73 73 PHE C C 13 177.076 0.2 . 1 . . . . 73 PHE C . 7324 1 818 . 1 1 73 73 PHE CA C 13 62.042 0.2 . 1 . . . . 73 PHE CA . 7324 1 819 . 1 1 73 73 PHE CB C 13 38.927 0.2 . 1 . . . . 73 PHE CB . 7324 1 820 . 1 1 73 73 PHE N N 15 121.445 0.2 . 1 . . . . 73 PHE N . 7324 1 821 . 1 1 74 74 ARG H H 1 9.035 0.02 . 1 . . . . 74 ARG H . 7324 1 822 . 1 1 74 74 ARG HA H 1 3.816 0.02 . 1 . . . . 74 ARG HA . 7324 1 823 . 1 1 74 74 ARG HB2 H 1 2.032 0.02 . 1 . . . . 74 ARG HB2 . 7324 1 824 . 1 1 74 74 ARG HB3 H 1 1.926 0.02 . 1 . . . . 74 ARG HB3 . 7324 1 825 . 1 1 74 74 ARG HG2 H 1 1.712 0.02 . 1 . . . . 74 ARG HG . 7324 1 826 . 1 1 74 74 ARG HG3 H 1 1.712 0.02 . 1 . . . . 74 ARG HG . 7324 1 827 . 1 1 74 74 ARG HD2 H 1 3.175 0.02 . 1 . . . . 74 ARG HD . 7324 1 828 . 1 1 74 74 ARG HD3 H 1 3.175 0.02 . 1 . . . . 74 ARG HD . 7324 1 829 . 1 1 74 74 ARG HE H 1 7.588 0.02 . 1 . . . . 74 ARG HE . 7324 1 830 . 1 1 74 74 ARG HH11 H 1 6.888 0.02 . 1 . . . . 74 ARG HH1 . 7324 1 831 . 1 1 74 74 ARG HH12 H 1 6.888 0.02 . 1 . . . . 74 ARG HH1 . 7324 1 832 . 1 1 74 74 ARG HH21 H 1 6.721 0.02 . 1 . . . . 74 ARG HH2 . 7324 1 833 . 1 1 74 74 ARG HH22 H 1 6.721 0.02 . 1 . . . . 74 ARG HH2 . 7324 1 834 . 1 1 74 74 ARG C C 13 178.951 0.2 . 1 . . . . 74 ARG C . 7324 1 835 . 1 1 74 74 ARG CA C 13 58.844 0.2 . 1 . . . . 74 ARG CA . 7324 1 836 . 1 1 74 74 ARG CB C 13 28.979 0.2 . 1 . . . . 74 ARG CB . 7324 1 837 . 1 1 74 74 ARG CG C 13 27.236 0.2 . 1 . . . . 74 ARG CG . 7324 1 838 . 1 1 74 74 ARG CD C 13 42.841 0.2 . 1 . . . . 74 ARG CD . 7324 1 839 . 1 1 74 74 ARG N N 15 119.447 0.2 . 1 . . . . 74 ARG N . 7324 1 840 . 1 1 74 74 ARG NE N 15 121.920 0.2 . 1 . . . . 74 ARG NE . 7324 1 841 . 1 1 75 75 LYS H H 1 7.692 0.02 . 1 . . . . 75 LYS H . 7324 1 842 . 1 1 75 75 LYS HA H 1 4.024 0.02 . 1 . . . . 75 LYS HA . 7324 1 843 . 1 1 75 75 LYS HB2 H 1 1.944 0.02 . 1 . . . . 75 LYS HB . 7324 1 844 . 1 1 75 75 LYS HB3 H 1 1.944 0.02 . 1 . . . . 75 LYS HB . 7324 1 845 . 1 1 75 75 LYS HG2 H 1 1.396 0.02 . 1 . . . . 75 LYS HG . 7324 1 846 . 1 1 75 75 LYS HG3 H 1 1.625 0.02 . 1 . . . . 75 LYS HG . 7324 1 847 . 1 1 75 75 LYS HD2 H 1 1.753 0.02 . 1 . . . . 75 LYS HD2 . 7324 1 848 . 1 1 75 75 LYS HD3 H 1 1.753 0.02 . 1 . . . . 75 LYS HD3 . 7324 1 849 . 1 1 75 75 LYS HE2 H 1 2.997 0.02 . 1 . . . . 75 LYS HE . 7324 1 850 . 1 1 75 75 LYS HE3 H 1 2.997 0.02 . 1 . . . . 75 LYS HE . 7324 1 851 . 1 1 75 75 LYS C C 13 179.571 0.2 . 1 . . . . 75 LYS C . 7324 1 852 . 1 1 75 75 LYS CA C 13 59.922 0.2 . 1 . . . . 75 LYS CA . 7324 1 853 . 1 1 75 75 LYS CB C 13 31.983 0.2 . 1 . . . . 75 LYS CB . 7324 1 854 . 1 1 75 75 LYS CG C 13 25.439 0.2 . 1 . . . . 75 LYS CG . 7324 1 855 . 1 1 75 75 LYS CD C 13 29.468 0.2 . 1 . . . . 75 LYS CD . 7324 1 856 . 1 1 75 75 LYS CE C 13 41.926 0.2 . 1 . . . . 75 LYS CE . 7324 1 857 . 1 1 75 75 LYS N N 15 121.128 0.2 . 1 . . . . 75 LYS N . 7324 1 858 . 1 1 76 76 LEU H H 1 7.217 0.02 . 1 . . . . 76 LEU H . 7324 1 859 . 1 1 76 76 LEU HA H 1 4.071 0.02 . 1 . . . . 76 LEU HA . 7324 1 860 . 1 1 76 76 LEU HB2 H 1 1.769 0.02 . 1 . . . . 76 LEU HB2 . 7324 1 861 . 1 1 76 76 LEU HB3 H 1 1.643 0.02 . 1 . . . . 76 LEU HB3 . 7324 1 862 . 1 1 76 76 LEU HD11 H 1 0.915 0.02 . 1 . . . . 76 LEU HD1 . 7324 1 863 . 1 1 76 76 LEU HD12 H 1 0.915 0.02 . 1 . . . . 76 LEU HD1 . 7324 1 864 . 1 1 76 76 LEU HD13 H 1 0.915 0.02 . 1 . . . . 76 LEU HD1 . 7324 1 865 . 1 1 76 76 LEU C C 13 178.005 0.2 . 1 . . . . 76 LEU C . 7324 1 866 . 1 1 76 76 LEU CA C 13 58.086 0.2 . 1 . . . . 76 LEU CA . 7324 1 867 . 1 1 76 76 LEU CB C 13 41.577 0.2 . 1 . . . . 76 LEU CB . 7324 1 868 . 1 1 76 76 LEU CD1 C 13 26.819 0.2 . 1 . . . . 76 LEU CD1 . 7324 1 869 . 1 1 76 76 LEU N N 15 121.552 0.2 . 1 . . . . 76 LEU N . 7324 1 870 . 1 1 77 77 VAL H H 1 8.234 0.02 . 1 . . . . 77 VAL H . 7324 1 871 . 1 1 77 77 VAL HA H 1 3.451 0.02 . 1 . . . . 77 VAL HA . 7324 1 872 . 1 1 77 77 VAL HB H 1 2.066 0.02 . 1 . . . . 77 VAL HB . 7324 1 873 . 1 1 77 77 VAL HG11 H 1 0.958 0.02 . 1 . . . . 77 VAL HG1 . 7324 1 874 . 1 1 77 77 VAL HG12 H 1 0.958 0.02 . 1 . . . . 77 VAL HG1 . 7324 1 875 . 1 1 77 77 VAL HG13 H 1 0.958 0.02 . 1 . . . . 77 VAL HG1 . 7324 1 876 . 1 1 77 77 VAL HG21 H 1 0.453 0.02 . 1 . . . . 77 VAL HG2 . 7324 1 877 . 1 1 77 77 VAL HG22 H 1 0.453 0.02 . 1 . . . . 77 VAL HG2 . 7324 1 878 . 1 1 77 77 VAL HG23 H 1 0.453 0.02 . 1 . . . . 77 VAL HG2 . 7324 1 879 . 1 1 77 77 VAL C C 13 178.074 0.2 . 1 . . . . 77 VAL C . 7324 1 880 . 1 1 77 77 VAL CA C 13 67.515 0.2 . 1 . . . . 77 VAL CA . 7324 1 881 . 1 1 77 77 VAL CB C 13 31.767 0.2 . 1 . . . . 77 VAL CB . 7324 1 882 . 1 1 77 77 VAL CG1 C 13 21.141 0.2 . 1 . . . . 77 VAL CG1 . 7324 1 883 . 1 1 77 77 VAL CG2 C 13 23.665 0.2 . 1 . . . . 77 VAL CG2 . 7324 1 884 . 1 1 77 77 VAL N N 15 120.555 0.2 . 1 . . . . 77 VAL N . 7324 1 885 . 1 1 78 78 THR H H 1 8.637 0.02 . 1 . . . . 78 THR H . 7324 1 886 . 1 1 78 78 THR HA H 1 3.805 0.02 . 1 . . . . 78 THR HA . 7324 1 887 . 1 1 78 78 THR HB H 1 4.245 0.02 . 1 . . . . 78 THR HB . 7324 1 888 . 1 1 78 78 THR HG21 H 1 1.244 0.02 . 1 . . . . 78 THR HG2 . 7324 1 889 . 1 1 78 78 THR HG22 H 1 1.244 0.02 . 1 . . . . 78 THR HG2 . 7324 1 890 . 1 1 78 78 THR HG23 H 1 1.244 0.02 . 1 . . . . 78 THR HG2 . 7324 1 891 . 1 1 78 78 THR C C 13 176.526 0.2 . 1 . . . . 78 THR C . 7324 1 892 . 1 1 78 78 THR CA C 13 67.007 0.2 . 1 . . . . 78 THR CA . 7324 1 893 . 1 1 78 78 THR CB C 13 68.748 0.2 . 1 . . . . 78 THR CB . 7324 1 894 . 1 1 78 78 THR CG2 C 13 21.315 0.2 . 1 . . . . 78 THR CG2 . 7324 1 895 . 1 1 78 78 THR N N 15 117.440 0.2 . 1 . . . . 78 THR N . 7324 1 896 . 1 1 79 79 ALA H H 1 7.636 0.02 . 1 . . . . 79 ALA H . 7324 1 897 . 1 1 79 79 ALA HA H 1 4.209 0.02 . 1 . . . . 79 ALA HA . 7324 1 898 . 1 1 79 79 ALA HB1 H 1 1.556 0.02 . 1 . . . . 79 ALA HB . 7324 1 899 . 1 1 79 79 ALA HB2 H 1 1.556 0.02 . 1 . . . . 79 ALA HB . 7324 1 900 . 1 1 79 79 ALA HB3 H 1 1.556 0.02 . 1 . . . . 79 ALA HB . 7324 1 901 . 1 1 79 79 ALA C C 13 181.067 0.2 . 1 . . . . 79 ALA C . 7324 1 902 . 1 1 79 79 ALA CA C 13 55.006 0.2 . 1 . . . . 79 ALA CA . 7324 1 903 . 1 1 79 79 ALA CB C 13 18.337 0.2 . 1 . . . . 79 ALA CB . 7324 1 904 . 1 1 79 79 ALA N N 15 124.883 0.2 . 1 . . . . 79 ALA N . 7324 1 905 . 1 1 80 80 ILE H H 1 8.416 0.02 . 1 . . . . 80 ILE H . 7324 1 906 . 1 1 80 80 ILE HA H 1 3.319 0.02 . 1 . . . . 80 ILE HA . 7324 1 907 . 1 1 80 80 ILE HB H 1 1.594 0.02 . 1 . . . . 80 ILE HB . 7324 1 908 . 1 1 80 80 ILE HG12 H 1 0.610 0.02 . 1 . . . . 80 ILE HG12 . 7324 1 909 . 1 1 80 80 ILE HG13 H 1 0.555 0.02 . 1 . . . . 80 ILE HG13 . 7324 1 910 . 1 1 80 80 ILE HG21 H 1 -0.209 0.02 . 1 . . . . 80 ILE HG2 . 7324 1 911 . 1 1 80 80 ILE HG22 H 1 -0.209 0.02 . 1 . . . . 80 ILE HG2 . 7324 1 912 . 1 1 80 80 ILE HG23 H 1 -0.209 0.02 . 1 . . . . 80 ILE HG2 . 7324 1 913 . 1 1 80 80 ILE HD11 H 1 0.612 0.02 . 1 . . . . 80 ILE HD1 . 7324 1 914 . 1 1 80 80 ILE HD12 H 1 0.612 0.02 . 1 . . . . 80 ILE HD1 . 7324 1 915 . 1 1 80 80 ILE HD13 H 1 0.612 0.02 . 1 . . . . 80 ILE HD1 . 7324 1 916 . 1 1 80 80 ILE C C 13 176.956 0.2 . 1 . . . . 80 ILE C . 7324 1 917 . 1 1 80 80 ILE CA C 13 65.809 0.2 . 1 . . . . 80 ILE CA . 7324 1 918 . 1 1 80 80 ILE CB C 13 37.427 0.2 . 1 . . . . 80 ILE CB . 7324 1 919 . 1 1 80 80 ILE CG1 C 13 31.337 0.2 . 1 . . . . 80 ILE CG1 . 7324 1 920 . 1 1 80 80 ILE CG2 C 13 17.122 0.2 . 1 . . . . 80 ILE CG2 . 7324 1 921 . 1 1 80 80 ILE CD1 C 13 15.367 0.2 . 1 . . . . 80 ILE CD1 . 7324 1 922 . 1 1 80 80 ILE N N 15 122.018 0.2 . 1 . . . . 80 ILE N . 7324 1 923 . 1 1 81 81 LYS H H 1 8.814 0.02 . 1 . . . . 81 LYS H . 7324 1 924 . 1 1 81 81 LYS HA H 1 3.832 0.02 . 1 . . . . 81 LYS HA . 7324 1 925 . 1 1 81 81 LYS HB2 H 1 1.995 0.02 . 1 . . . . 81 LYS HB2 . 7324 1 926 . 1 1 81 81 LYS HB3 H 1 1.934 0.02 . 1 . . . . 81 LYS HB3 . 7324 1 927 . 1 1 81 81 LYS HG2 H 1 1.740 0.02 . 1 . . . . 81 LYS HG . 7324 1 928 . 1 1 81 81 LYS HG3 H 1 1.740 0.02 . 1 . . . . 81 LYS HG . 7324 1 929 . 1 1 81 81 LYS HD2 H 1 1.634 0.02 . 1 . . . . 81 LYS HD . 7324 1 930 . 1 1 81 81 LYS HD3 H 1 1.634 0.02 . 1 . . . . 81 LYS HD . 7324 1 931 . 1 1 81 81 LYS HE2 H 1 2.911 0.02 . 1 . . . . 81 LYS HE2 . 7324 1 932 . 1 1 81 81 LYS HE3 H 1 2.935 0.02 . 1 . . . . 81 LYS HE3 . 7324 1 933 . 1 1 81 81 LYS C C 13 179.811 0.2 . 1 . . . . 81 LYS C . 7324 1 934 . 1 1 81 81 LYS CA C 13 60.872 0.2 . 1 . . . . 81 LYS CA . 7324 1 935 . 1 1 81 81 LYS CB C 13 32.402 0.2 . 1 . . . . 81 LYS CB . 7324 1 936 . 1 1 81 81 LYS CG C 13 30.103 0.2 . 1 . . . . 81 LYS CG . 7324 1 937 . 1 1 81 81 LYS CD C 13 29.180 0.2 . 1 . . . . 81 LYS CD . 7324 1 938 . 1 1 81 81 LYS CE C 13 42.105 0.2 . 1 . . . . 81 LYS CE . 7324 1 939 . 1 1 81 81 LYS N N 15 120.650 0.2 . 1 . . . . 81 LYS N . 7324 1 940 . 1 1 82 82 ALA H H 1 7.864 0.02 . 1 . . . . 82 ALA H . 7324 1 941 . 1 1 82 82 ALA HA H 1 4.171 0.02 . 1 . . . . 82 ALA HA . 7324 1 942 . 1 1 82 82 ALA HB1 H 1 1.465 0.02 . 1 . . . . 82 ALA HB . 7324 1 943 . 1 1 82 82 ALA HB2 H 1 1.465 0.02 . 1 . . . . 82 ALA HB . 7324 1 944 . 1 1 82 82 ALA HB3 H 1 1.465 0.02 . 1 . . . . 82 ALA HB . 7324 1 945 . 1 1 82 82 ALA C C 13 180.069 0.2 . 1 . . . . 82 ALA C . 7324 1 946 . 1 1 82 82 ALA CA C 13 54.685 0.2 . 1 . . . . 82 ALA CA . 7324 1 947 . 1 1 82 82 ALA CB C 13 17.659 0.2 . 1 . . . . 82 ALA CB . 7324 1 948 . 1 1 82 82 ALA N N 15 121.334 0.2 . 1 . . . . 82 ALA N . 7324 1 949 . 1 1 83 83 ALA H H 1 7.709 0.02 . 1 . . . . 83 ALA H . 7324 1 950 . 1 1 83 83 ALA HA H 1 4.164 0.02 . 1 . . . . 83 ALA HA . 7324 1 951 . 1 1 83 83 ALA HB1 H 1 1.403 0.02 . 1 . . . . 83 ALA HB . 7324 1 952 . 1 1 83 83 ALA HB2 H 1 1.403 0.02 . 1 . . . . 83 ALA HB . 7324 1 953 . 1 1 83 83 ALA HB3 H 1 1.403 0.02 . 1 . . . . 83 ALA HB . 7324 1 954 . 1 1 83 83 ALA C C 13 181.067 0.2 . 1 . . . . 83 ALA C . 7324 1 955 . 1 1 83 83 ALA CA C 13 54.519 0.2 . 1 . . . . 83 ALA CA . 7324 1 956 . 1 1 83 83 ALA CB C 13 19.055 0.2 . 1 . . . . 83 ALA CB . 7324 1 957 . 1 1 83 83 ALA N N 15 122.609 0.2 . 1 . . . . 83 ALA N . 7324 1 958 . 1 1 84 84 LEU H H 1 8.737 0.02 . 1 . . . . 84 LEU H . 7324 1 959 . 1 1 84 84 LEU HA H 1 4.002 0.02 . 1 . . . . 84 LEU HA . 7324 1 960 . 1 1 84 84 LEU HB2 H 1 1.854 0.02 . 1 . . . . 84 LEU HB2 . 7324 1 961 . 1 1 84 84 LEU HB3 H 1 1.424 0.02 . 1 . . . . 84 LEU HB3 . 7324 1 962 . 1 1 84 84 LEU HG H 1 1.550 0.02 . 1 . . . . 84 LEU HG . 7324 1 963 . 1 1 84 84 LEU HD11 H 1 0.783 0.02 . 1 . . . . 84 LEU HD1 . 7324 1 964 . 1 1 84 84 LEU HD12 H 1 0.783 0.02 . 1 . . . . 84 LEU HD1 . 7324 1 965 . 1 1 84 84 LEU HD13 H 1 0.783 0.02 . 1 . . . . 84 LEU HD1 . 7324 1 966 . 1 1 84 84 LEU HD21 H 1 0.647 0.02 . 1 . . . . 84 LEU HD2 . 7324 1 967 . 1 1 84 84 LEU HD22 H 1 0.647 0.02 . 1 . . . . 84 LEU HD2 . 7324 1 968 . 1 1 84 84 LEU HD23 H 1 0.647 0.02 . 1 . . . . 84 LEU HD2 . 7324 1 969 . 1 1 84 84 LEU C C 13 179.571 0.2 . 1 . . . . 84 LEU C . 7324 1 970 . 1 1 84 84 LEU CA C 13 57.554 0.2 . 1 . . . . 84 LEU CA . 7324 1 971 . 1 1 84 84 LEU CB C 13 41.575 0.2 . 1 . . . . 84 LEU CB . 7324 1 972 . 1 1 84 84 LEU CG C 13 26.459 0.2 . 1 . . . . 84 LEU CG . 7324 1 973 . 1 1 84 84 LEU CD1 C 13 23.747 0.2 . 1 . . . . 84 LEU CD1 . 7324 1 974 . 1 1 84 84 LEU CD2 C 13 26.546 0.2 . 1 . . . . 84 LEU CD2 . 7324 1 975 . 1 1 84 84 LEU N N 15 121.043 0.2 . 1 . . . . 84 LEU N . 7324 1 976 . 1 1 85 85 ALA H H 1 7.729 0.02 . 1 . . . . 85 ALA H . 7324 1 977 . 1 1 85 85 ALA HA H 1 4.156 0.02 . 1 . . . . 85 ALA HA . 7324 1 978 . 1 1 85 85 ALA HB1 H 1 1.480 0.02 . 1 . . . . 85 ALA HB . 7324 1 979 . 1 1 85 85 ALA HB2 H 1 1.480 0.02 . 1 . . . . 85 ALA HB . 7324 1 980 . 1 1 85 85 ALA HB3 H 1 1.480 0.02 . 1 . . . . 85 ALA HB . 7324 1 981 . 1 1 85 85 ALA C C 13 180.035 0.2 . 1 . . . . 85 ALA C . 7324 1 982 . 1 1 85 85 ALA CA C 13 54.370 0.2 . 1 . . . . 85 ALA CA . 7324 1 983 . 1 1 85 85 ALA CB C 13 17.749 0.2 . 1 . . . . 85 ALA CB . 7324 1 984 . 1 1 85 85 ALA N N 15 121.984 0.2 . 1 . . . . 85 ALA N . 7324 1 985 . 1 1 86 86 GLN H H 1 7.688 0.02 . 1 . . . . 86 GLN H . 7324 1 986 . 1 1 86 86 GLN HA H 1 4.122 0.02 . 1 . . . . 86 GLN HA . 7324 1 987 . 1 1 86 86 GLN HB2 H 1 2.161 0.02 . 1 . . . . 86 GLN HB . 7324 1 988 . 1 1 86 86 GLN HB3 H 1 2.161 0.02 . 1 . . . . 86 GLN HB . 7324 1 989 . 1 1 86 86 GLN HG2 H 1 2.417 0.02 . 1 . . . . 86 GLN HG . 7324 1 990 . 1 1 86 86 GLN HG3 H 1 2.417 0.02 . 1 . . . . 86 GLN HG . 7324 1 991 . 1 1 86 86 GLN HE21 H 1 6.701 0.02 . 1 . . . . 86 GLN HE21 . 7324 1 992 . 1 1 86 86 GLN HE22 H 1 7.368 0.02 . 1 . . . . 86 GLN HE22 . 7324 1 993 . 1 1 86 86 GLN C C 13 177.696 0.2 . 1 . . . . 86 GLN C . 7324 1 994 . 1 1 86 86 GLN CA C 13 57.521 0.2 . 1 . . . . 86 GLN CA . 7324 1 995 . 1 1 86 86 GLN CB C 13 28.410 0.2 . 1 . . . . 86 GLN CB . 7324 1 996 . 1 1 86 86 GLN CG C 13 33.224 0.2 . 1 . . . . 86 GLN CG . 7324 1 997 . 1 1 86 86 GLN N N 15 117.851 0.2 . 1 . . . . 86 GLN N . 7324 1 998 . 1 1 86 86 GLN NE2 N 15 112.089 0.2 . 1 . . . . 86 GLN NE2 . 7324 1 999 . 1 1 87 87 CYS H H 1 7.869 0.02 . 1 . . . . 87 CYS H . 7324 1 1000 . 1 1 87 87 CYS HA H 1 4.312 0.02 . 1 . . . . 87 CYS HA . 7324 1 1001 . 1 1 87 87 CYS HB2 H 1 2.994 0.02 . 1 . . . . 87 CYS HB2 . 7324 1 1002 . 1 1 87 87 CYS HB3 H 1 2.962 0.02 . 1 . . . . 87 CYS HB3 . 7324 1 1003 . 1 1 87 87 CYS C C 13 176.044 0.2 . 1 . . . . 87 CYS C . 7324 1 1004 . 1 1 87 87 CYS CA C 13 60.861 0.2 . 1 . . . . 87 CYS CA . 7324 1 1005 . 1 1 87 87 CYS CB C 13 26.986 0.2 . 1 . . . . 87 CYS CB . 7324 1 1006 . 1 1 87 87 CYS N N 15 118.136 0.2 . 1 . . . . 87 CYS N . 7324 1 1007 . 1 1 88 88 GLN H H 1 7.913 0.02 . 1 . . . . 88 GLN H . 7324 1 1008 . 1 1 88 88 GLN HA H 1 4.176 0.02 . 1 . . . . 88 GLN HA . 7324 1 1009 . 1 1 88 88 GLN HB2 H 1 2.107 0.02 . 1 . . . . 88 GLN HB2 . 7324 1 1010 . 1 1 88 88 GLN HB3 H 1 2.064 0.02 . 1 . . . . 88 GLN HB3 . 7324 1 1011 . 1 1 88 88 GLN HG2 H 1 2.419 0.02 . 1 . . . . 88 GLN HG2 . 7324 1 1012 . 1 1 88 88 GLN HG3 H 1 2.395 0.02 . 1 . . . . 88 GLN HG3 . 7324 1 1013 . 1 1 88 88 GLN HE21 H 1 6.804 0.02 . 1 . . . . 88 GLN HE21 . 7324 1 1014 . 1 1 88 88 GLN HE22 H 1 7.555 0.02 . 1 . . . . 88 GLN HE22 . 7324 1 1015 . 1 1 88 88 GLN C C 13 176.939 0.2 . 1 . . . . 88 GLN C . 7324 1 1016 . 1 1 88 88 GLN CA C 13 56.956 0.2 . 1 . . . . 88 GLN CA . 7324 1 1017 . 1 1 88 88 GLN CB C 13 28.480 0.2 . 1 . . . . 88 GLN CB . 7324 1 1018 . 1 1 88 88 GLN CG C 13 34.089 0.2 . 1 . . . . 88 GLN CG . 7324 1 1019 . 1 1 88 88 GLN N N 15 120.453 0.2 . 1 . . . . 88 GLN N . 7324 1 1020 . 1 1 88 88 GLN NE2 N 15 112.890 0.2 . 1 . . . . 88 GLN NE2 . 7324 1 1021 . 1 1 89 89 LEU H H 1 7.849 0.02 . 1 . . . . 89 LEU H . 7324 1 1022 . 1 1 89 89 LEU HA H 1 4.159 0.02 . 1 . . . . 89 LEU HA . 7324 1 1023 . 1 1 89 89 LEU HB2 H 1 1.674 0.02 . 1 . . . . 89 LEU HB2 . 7324 1 1024 . 1 1 89 89 LEU HB3 H 1 1.552 0.02 . 1 . . . . 89 LEU HB3 . 7324 1 1025 . 1 1 89 89 LEU HG H 1 1.617 0.02 . 1 . . . . 89 LEU HG . 7324 1 1026 . 1 1 89 89 LEU HD11 H 1 0.855 0.02 . 1 . . . . 89 LEU HD1 . 7324 1 1027 . 1 1 89 89 LEU HD12 H 1 0.855 0.02 . 1 . . . . 89 LEU HD1 . 7324 1 1028 . 1 1 89 89 LEU HD13 H 1 0.855 0.02 . 1 . . . . 89 LEU HD1 . 7324 1 1029 . 1 1 89 89 LEU HD21 H 1 0.818 0.02 . 1 . . . . 89 LEU HD2 . 7324 1 1030 . 1 1 89 89 LEU HD22 H 1 0.818 0.02 . 1 . . . . 89 LEU HD2 . 7324 1 1031 . 1 1 89 89 LEU HD23 H 1 0.818 0.02 . 1 . . . . 89 LEU HD2 . 7324 1 1032 . 1 1 89 89 LEU C C 13 178.074 0.2 . 1 . . . . 89 LEU C . 7324 1 1033 . 1 1 89 89 LEU CA C 13 56.070 0.2 . 1 . . . . 89 LEU CA . 7324 1 1034 . 1 1 89 89 LEU CB C 13 42.133 0.2 . 1 . . . . 89 LEU CB . 7324 1 1035 . 1 1 89 89 LEU CG C 13 26.706 0.2 . 1 . . . . 89 LEU CG . 7324 1 1036 . 1 1 89 89 LEU CD1 C 13 23.975 0.2 . 1 . . . . 89 LEU CD1 . 7324 1 1037 . 1 1 89 89 LEU CD2 C 13 23.461 0.2 . 1 . . . . 89 LEU CD2 . 7324 1 1038 . 1 1 89 89 LEU N N 15 121.915 0.2 . 1 . . . . 89 LEU N . 7324 1 1039 . 1 1 90 90 GLU H H 1 8.023 0.02 . 1 . . . . 90 GLU H . 7324 1 1040 . 1 1 90 90 GLU HA H 1 4.084 0.02 . 1 . . . . 90 GLU HA . 7324 1 1041 . 1 1 90 90 GLU HB2 H 1 1.905 0.02 . 1 . . . . 90 GLU HB2 . 7324 1 1042 . 1 1 90 90 GLU HB3 H 1 1.890 0.02 . 1 . . . . 90 GLU HB3 . 7324 1 1043 . 1 1 90 90 GLU HG2 H 1 2.136 0.02 . 1 . . . . 90 GLU HG2 . 7324 1 1044 . 1 1 90 90 GLU HG3 H 1 2.274 0.02 . 1 . . . . 90 GLU HG3 . 7324 1 1045 . 1 1 90 90 GLU C C 13 176.698 0.2 . 1 . . . . 90 GLU C . 7324 1 1046 . 1 1 90 90 GLU CA C 13 56.910 0.2 . 1 . . . . 90 GLU CA . 7324 1 1047 . 1 1 90 90 GLU CB C 13 29.766 0.2 . 1 . . . . 90 GLU CB . 7324 1 1048 . 1 1 90 90 GLU CG C 13 35.999 0.2 . 1 . . . . 90 GLU CG . 7324 1 1049 . 1 1 90 90 GLU N N 15 120.410 0.2 . 1 . . . . 90 GLU N . 7324 1 1050 . 1 1 91 91 HIS H H 1 8.205 0.02 . 1 . . . . 91 HIS H . 7324 1 1051 . 1 1 91 91 HIS HA H 1 4.578 0.02 . 1 . . . . 91 HIS HA . 7324 1 1052 . 1 1 91 91 HIS HB2 H 1 3.163 0.02 . 1 . . . . 91 HIS HB2 . 7324 1 1053 . 1 1 91 91 HIS HB3 H 1 3.068 0.02 . 1 . . . . 91 HIS HB3 . 7324 1 1054 . 1 1 91 91 HIS HD1 H 1 7.190 0.02 . 1 . . . . 91 HIS HD1 . 7324 1 1055 . 1 1 91 91 HIS C C 13 174.427 0.2 . 1 . . . . 91 HIS C . 7324 1 1056 . 1 1 91 91 HIS CA C 13 55.582 0.2 . 1 . . . . 91 HIS CA . 7324 1 1057 . 1 1 91 91 HIS CB C 13 29.128 0.2 . 1 . . . . 91 HIS CB . 7324 1 1058 . 1 1 91 91 HIS N N 15 119.116 0.2 . 1 . . . . 91 HIS N . 7324 1 1059 . 1 1 92 92 HIS H H 1 8.368 0.02 . 1 . . . . 92 HIS H . 7324 1 1060 . 1 1 92 92 HIS HA H 1 4.557 0.02 . 1 . . . . 92 HIS HA . 7324 1 1061 . 1 1 92 92 HIS C C 13 174.324 0.2 . 1 . . . . 92 HIS C . 7324 1 1062 . 1 1 92 92 HIS CA C 13 55.545 0.2 . 1 . . . . 92 HIS CA . 7324 1 1063 . 1 1 92 92 HIS CB C 13 29.423 0.2 . 1 . . . . 92 HIS CB . 7324 1 1064 . 1 1 92 92 HIS N N 15 119.683 0.2 . 1 . . . . 92 HIS N . 7324 1 1065 . 1 1 93 93 HIS H H 1 8.678 0.02 . 1 . . . . 93 HIS H . 7324 1 1066 . 1 1 93 93 HIS C C 13 174.186 0.2 . 1 . . . . 93 HIS C . 7324 1 1067 . 1 1 93 93 HIS CA C 13 55.555 0.2 . 1 . . . . 93 HIS CA . 7324 1 1068 . 1 1 93 93 HIS CB C 13 29.224 0.2 . 1 . . . . 93 HIS CB . 7324 1 1069 . 1 1 93 93 HIS N N 15 120.971 0.2 . 1 . . . . 93 HIS N . 7324 1 1070 . 1 1 94 94 HIS H H 1 8.540 0.02 . 1 . . . . 94 HIS H . 7324 1 1071 . 1 1 94 94 HIS HA H 1 4.602 0.02 . 1 . . . . 94 HIS HA . 7324 1 1072 . 1 1 94 94 HIS HB2 H 1 3.162 0.02 . 1 . . . . 94 HIS HB2 . 7324 1 1073 . 1 1 94 94 HIS HB3 H 1 3.067 0.02 . 1 . . . . 94 HIS HB3 . 7324 1 1074 . 1 1 94 94 HIS C C 13 174.307 0.2 . 1 . . . . 94 HIS C . 7324 1 1075 . 1 1 94 94 HIS CA C 13 55.441 0.2 . 1 . . . . 94 HIS CA . 7324 1 1076 . 1 1 94 94 HIS CB C 13 29.322 0.2 . 1 . . . . 94 HIS CB . 7324 1 1077 . 1 1 94 94 HIS N N 15 120.461 0.2 . 1 . . . . 94 HIS N . 7324 1 1078 . 1 1 95 95 HIS H H 1 8.668 0.02 . 1 . . . . 95 HIS H . 7324 1 1079 . 1 1 95 95 HIS HA H 1 4.581 0.02 . 1 . . . . 95 HIS HA . 7324 1 1080 . 1 1 95 95 HIS HB2 H 1 3.173 0.02 . 1 . . . . 95 HIS HB2 . 7324 1 1081 . 1 1 95 95 HIS HB3 H 1 3.065 0.02 . 1 . . . . 95 HIS HB3 . 7324 1 1082 . 1 1 95 95 HIS HD2 H 1 7.190 0.02 . 1 . . . . 95 HIS HD2 . 7324 1 1083 . 1 1 95 95 HIS C C 13 173.567 0.2 . 1 . . . . 95 HIS C . 7324 1 1084 . 1 1 95 95 HIS CA C 13 55.569 0.2 . 1 . . . . 95 HIS CA . 7324 1 1085 . 1 1 95 95 HIS CB C 13 29.368 0.2 . 1 . . . . 95 HIS CB . 7324 1 1086 . 1 1 95 95 HIS N N 15 120.968 0.2 . 1 . . . . 95 HIS N . 7324 1 1087 . 1 1 96 96 HIS H H 1 8.291 0.02 . 1 . . . . 96 HIS H . 7324 1 1088 . 1 1 96 96 HIS HA H 1 4.403 0.02 . 1 . . . . 96 HIS HA . 7324 1 1089 . 1 1 96 96 HIS HB2 H 1 3.181 0.02 . 1 . . . . 96 HIS HB2 . 7324 1 1090 . 1 1 96 96 HIS HB3 H 1 3.073 0.02 . 1 . . . . 96 HIS HB3 . 7324 1 1091 . 1 1 96 96 HIS C C 13 178.951 0.2 . 1 . . . . 96 HIS C . 7324 1 1092 . 1 1 96 96 HIS CA C 13 56.958 0.2 . 1 . . . . 96 HIS CA . 7324 1 1093 . 1 1 96 96 HIS CB C 13 29.506 0.2 . 1 . . . . 96 HIS CB . 7324 1 1094 . 1 1 96 96 HIS N N 15 126.046 0.2 . 1 . . . . 96 HIS N . 7324 1 stop_ save_