data_15373 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15373 _Entry.Title ; The prokaryotic Cys2His2 zinc finger adopts a novel fold as revealed by the NMR structure of A. tumefaciens Ros DNA binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-10 _Entry.Accession_date 2007-07-10 _Entry.Last_release_date 2008-03-13 _Entry.Original_release_date 2008-03-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaetano Malgieri . . . 15373 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15373 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Second University of Naples - Environmental Science Department' . 15373 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'prokaryotic Cys2His2 zinc finger' . 15373 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15373 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 15373 '15N chemical shifts' 85 15373 '1H chemical shifts' 505 15373 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-03-13 2007-07-10 original author . 15373 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JSP 'BMRB Entry Tracking System' 15373 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15373 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17956987 _Citation.Full_citation . _Citation.Title ; The prokaryotic Cys2His2 zinc finger adopts a novel fold as revealed by the NMR structure of A.tumefaciens Ros DNA binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 44 _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 17341 _Citation.Page_last 17346 _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 Gaetano Malgieri . . . 15373 1 2 L. Russo . . . 15373 1 3 S. Esposito . . . 15373 1 4 I. Baglivo . . . 15373 1 5 L. Zaccaro . . . 15373 1 6 E. Pedone . M. . 15373 1 7 B. 'Di Blasio' . . . 15373 1 8 C. Isernia . . . 15373 1 9 P. Pedone . V. . 15373 1 10 R. Fattorusso . . . 15373 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Agrobacterium tumefaciens' 15373 1 'Cys2His2 zinc finger' 15373 1 'DNA binding proteins' 15373 1 'NMR spectroscopy' 15373 1 'Ros protein' 15373 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15373 _Assembly.ID 1 _Assembly.Name Ros87 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ros87 polypeptide' 1 $Ros87_polypeptide A . yes native no no . . . 15373 1 2 'ZINC ION' 2 $ZN A . no native no no . . . 15373 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 24 24 . . 24 CYS HG 15373 1 . . 1 1 CYS 27 27 . . 27 CYS HG 15373 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Trascriptional regulation' 15373 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ros87_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Ros87_polypeptide _Entity.Entry_ID 15373 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ros87_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AVNVEKQKPAVSVRKSVQDD HIVCLECGGSFKSLKRHLTT HHSMTPEEYREKWDLPVDYP MVAPAYAEARSRLAKEMGLG QRRKANR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Ros DNA binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9959.560 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JSP . "The Prokaryotic Cys2his2 Zinc Finger Adopts A Novel Fold As Revealed By The Nmr Structure Of A. Tumefaciens Ros Dna Binding Dom" . . . . . 100.00 87 100.00 100.00 2.50e-57 . . . . 15373 1 2 no EMBL CAA58116 . "rosAR [Agrobacterium tumefaciens]" . . . . . 100.00 142 98.85 98.85 2.19e-56 . . . . 15373 1 3 no EMBL CDI07817 . "putative transcriptional regulatory protein, Ros/MucR family [Rhizobium sp. IRBG74]" . . . . . 100.00 142 98.85 98.85 2.19e-56 . . . . 15373 1 4 no EMBL CDN91482 . "Transcriptional regulatory protein rosAr [Agrobacterium tumefaciens]" . . . . . 100.00 142 98.85 100.00 8.98e-57 . . . . 15373 1 5 no GB AAA22106 . "ros protein [Agrobacterium tumefaciens]" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 6 no GB AAK86720 . "transcriptional regulator [Agrobacterium fabrum str. C58]" . . . . . 100.00 142 98.85 100.00 8.98e-57 . . . . 15373 1 7 no GB ADY63837 . "Transcriptional regulatory protein [Agrobacterium sp. H13-3]" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 8 no GB AHK00781 . "transcriptional regulator [Agrobacterium tumefaciens LBA4213 (Ach5)]" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 9 no GB AKC06614 . "transcriptional regulator [Agrobacterium tumefaciens]" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 10 no REF NP_353935 . "transcriptional regulator [Agrobacterium fabrum str. C58]" . . . . . 100.00 142 98.85 100.00 8.98e-57 . . . . 15373 1 11 no REF WP_003497181 . "MULTISPECIES: transcriptional regulator [Agrobacterium]" . . . . . 100.00 142 98.85 100.00 8.69e-57 . . . . 15373 1 12 no REF WP_003509257 . "MULTISPECIES: transcriptional regulator [Agrobacterium]" . . . . . 100.00 142 98.85 100.00 8.98e-57 . . . . 15373 1 13 no REF WP_003512037 . "MULTISPECIES: transcriptional regulator [Agrobacterium]" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 14 no REF WP_004440665 . "MULTISPECIES: transcriptional regulator [Rhizobium/Agrobacterium group]" . . . . . 100.00 142 98.85 98.85 2.19e-56 . . . . 15373 1 15 no SP P55324 . "RecName: Full=Transcriptional regulatory protein rosAr" . . . . . 100.00 142 98.85 98.85 2.19e-56 . . . . 15373 1 16 no SP Q04152 . "RecName: Full=Transcriptional regulatory protein ros" . . . . . 100.00 142 100.00 100.00 1.43e-57 . . . . 15373 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcriptional regulatory protein' 15373 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 . ALA . 15373 1 2 . VAL . 15373 1 3 . ASN . 15373 1 4 . VAL . 15373 1 5 . GLU . 15373 1 6 . LYS . 15373 1 7 . GLN . 15373 1 8 . LYS . 15373 1 9 . PRO . 15373 1 10 . ALA . 15373 1 11 . VAL . 15373 1 12 . SER . 15373 1 13 . VAL . 15373 1 14 . ARG . 15373 1 15 . LYS . 15373 1 16 . SER . 15373 1 17 . VAL . 15373 1 18 . GLN . 15373 1 19 . ASP . 15373 1 20 . ASP . 15373 1 21 . HIS . 15373 1 22 . ILE . 15373 1 23 . VAL . 15373 1 24 . CYS . 15373 1 25 . LEU . 15373 1 26 . GLU . 15373 1 27 . CYS . 15373 1 28 . GLY . 15373 1 29 . GLY . 15373 1 30 . SER . 15373 1 31 . PHE . 15373 1 32 . LYS . 15373 1 33 . SER . 15373 1 34 . LEU . 15373 1 35 . LYS . 15373 1 36 . ARG . 15373 1 37 . HIS . 15373 1 38 . LEU . 15373 1 39 . THR . 15373 1 40 . THR . 15373 1 41 . HIS . 15373 1 42 . HIS . 15373 1 43 . SER . 15373 1 44 . MET . 15373 1 45 . THR . 15373 1 46 . PRO . 15373 1 47 . GLU . 15373 1 48 . GLU . 15373 1 49 . TYR . 15373 1 50 . ARG . 15373 1 51 . GLU . 15373 1 52 . LYS . 15373 1 53 . TRP . 15373 1 54 . ASP . 15373 1 55 . LEU . 15373 1 56 . PRO . 15373 1 57 . VAL . 15373 1 58 . ASP . 15373 1 59 . TYR . 15373 1 60 . PRO . 15373 1 61 . MET . 15373 1 62 . VAL . 15373 1 63 . ALA . 15373 1 64 . PRO . 15373 1 65 . ALA . 15373 1 66 . TYR . 15373 1 67 . ALA . 15373 1 68 . GLU . 15373 1 69 . ALA . 15373 1 70 . ARG . 15373 1 71 . SER . 15373 1 72 . ARG . 15373 1 73 . LEU . 15373 1 74 . ALA . 15373 1 75 . LYS . 15373 1 76 . GLU . 15373 1 77 . MET . 15373 1 78 . GLY . 15373 1 79 . LEU . 15373 1 80 . GLY . 15373 1 81 . GLN . 15373 1 82 . ARG . 15373 1 83 . ARG . 15373 1 84 . LYS . 15373 1 85 . ALA . 15373 1 86 . ASN . 15373 1 87 . ARG . 15373 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 . ALA 1 1 15373 1 . VAL 2 2 15373 1 . ASN 3 3 15373 1 . VAL 4 4 15373 1 . GLU 5 5 15373 1 . LYS 6 6 15373 1 . GLN 7 7 15373 1 . LYS 8 8 15373 1 . PRO 9 9 15373 1 . ALA 10 10 15373 1 . VAL 11 11 15373 1 . SER 12 12 15373 1 . VAL 13 13 15373 1 . ARG 14 14 15373 1 . LYS 15 15 15373 1 . SER 16 16 15373 1 . VAL 17 17 15373 1 . GLN 18 18 15373 1 . ASP 19 19 15373 1 . ASP 20 20 15373 1 . HIS 21 21 15373 1 . ILE 22 22 15373 1 . VAL 23 23 15373 1 . CYS 24 24 15373 1 . LEU 25 25 15373 1 . GLU 26 26 15373 1 . CYS 27 27 15373 1 . GLY 28 28 15373 1 . GLY 29 29 15373 1 . SER 30 30 15373 1 . PHE 31 31 15373 1 . LYS 32 32 15373 1 . SER 33 33 15373 1 . LEU 34 34 15373 1 . LYS 35 35 15373 1 . ARG 36 36 15373 1 . HIS 37 37 15373 1 . LEU 38 38 15373 1 . THR 39 39 15373 1 . THR 40 40 15373 1 . HIS 41 41 15373 1 . HIS 42 42 15373 1 . SER 43 43 15373 1 . MET 44 44 15373 1 . THR 45 45 15373 1 . PRO 46 46 15373 1 . GLU 47 47 15373 1 . GLU 48 48 15373 1 . TYR 49 49 15373 1 . ARG 50 50 15373 1 . GLU 51 51 15373 1 . LYS 52 52 15373 1 . TRP 53 53 15373 1 . ASP 54 54 15373 1 . LEU 55 55 15373 1 . PRO 56 56 15373 1 . VAL 57 57 15373 1 . ASP 58 58 15373 1 . TYR 59 59 15373 1 . PRO 60 60 15373 1 . MET 61 61 15373 1 . VAL 62 62 15373 1 . ALA 63 63 15373 1 . PRO 64 64 15373 1 . ALA 65 65 15373 1 . TYR 66 66 15373 1 . ALA 67 67 15373 1 . GLU 68 68 15373 1 . ALA 69 69 15373 1 . ARG 70 70 15373 1 . SER 71 71 15373 1 . ARG 72 72 15373 1 . LEU 73 73 15373 1 . ALA 74 74 15373 1 . LYS 75 75 15373 1 . GLU 76 76 15373 1 . MET 77 77 15373 1 . GLY 78 78 15373 1 . LEU 79 79 15373 1 . GLY 80 80 15373 1 . GLN 81 81 15373 1 . ARG 82 82 15373 1 . ARG 83 83 15373 1 . LYS 84 84 15373 1 . ALA 85 85 15373 1 . ASN 86 86 15373 1 . ARG 87 87 15373 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15373 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 15373 2 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 15373 _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 $Ros87_polypeptide . 358 organism . 'Agrobacterium tumefaciens' 'Agrobacterium tumefaciens' . . Bacteria . Agrobacterium tumefaciens . . . . . . . . . . . . . . . . . . . . . 15373 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 15373 _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 $Ros87_polypeptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11d . . . . . . 15373 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15373 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15373 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15373 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15373 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15373 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15373 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15373 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15373 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM phosphate buffer (pH=6.8), 0.2 M NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ros87 '[U-100% 15N]' . . 1 $Ros87_polypeptide . . 1 . . mM . . . . 15373 1 2 'Zinc ion' . . . 2 $ZN . . 1 . . mM . . . . 15373 1 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 15373 1 4 NaCl . . . . . . . 0.2 . . M . . . . 15373 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15373 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM phosphate buffer (pH=6.8), 0.2 M NaCl' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ros87 '[U-100% 13C; U-100% 15N]' . . 1 $Ros87_polypeptide . . 1 . . mM . . . . 15373 2 2 'Zinc ion' . . . 2 $ZN . . 1 . . mM . . . . 15373 2 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 15373 2 4 NaCl . . . . . . . 0.2 . . M . . . . 15373 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15373 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM phosphate buffer (pH=6.8), 0.2 M NaCl' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ros87 'natural abundance' . . 1 $Ros87_polypeptide . . 1 . . mM . . . . 15373 3 2 'Zinc ion' . . . 2 $ZN . . 1 . . mM . . . . 15373 3 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 15373 3 4 NaCl . . . . . . . 0.2 . . M . . . . 15373 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15373 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 15373 1 pH 6.8 . pH 15373 1 pressure 1 . atm 15373 1 temperature 298 . K 15373 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15373 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15373 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15373 1 'data analysis' 15373 1 'peak picking' 15373 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15373 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15373 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15373 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15373 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15373 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15373 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15373 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15373 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15373 4 processing 15373 4 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 15373 _Software.ID 5 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 15373 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Calculation dynamic parameters' 15373 5 'data analysis' 15373 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15373 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15373 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15373 6 'figure realization' 15373 6 'structure visualization' 15373 6 stop_ save_ save_SPDB _Software.Sf_category software _Software.Sf_framecode SPDB _Software.Entry_ID 15373 _Software.ID 7 _Software.Name SPDB _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guex, N. and Peitsch, M. C.' . . 15373 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Energy minimization' 15373 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15373 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15373 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15373 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15373 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15373 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 15373 1 2 spectrometer_2 Varian INOVA . 600 . . . 15373 1 3 spectrometer_3 Bruker Avance . 500 . . . 15373 1 4 spectrometer_4 Bruker Avance . 800 . . . 15373 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15373 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15373 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15373 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15373 1 6 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15373 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15373 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15373 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15373 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15373 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15373 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15373 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 15 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 16 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15373 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15373 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15373 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15373 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15373 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15373 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-1H NOESY' . . . 15373 1 6 '3D CBCANH' . . . 15373 1 10 '3D 1H-13C NOESY' . . . 15373 1 11 '3D 1H-15N NOESY' . . . 15373 1 12 '3D CCH-TOCSY' . . . 15373 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 VAL H H 1 8.42 0.01 . 1 . . . . 2 VAL H . 15373 1 2 . 1 1 2 2 VAL HA H 1 4.52 0.01 . 1 . . . . 2 VAL HA . 15373 1 3 . 1 1 2 2 VAL HB H 1 2.11 0.01 . 1 . . . . 2 VAL HB . 15373 1 4 . 1 1 2 2 VAL HG11 H 1 0.95 0.01 . 2 . . . . 2 VAL HG1 . 15373 1 5 . 1 1 2 2 VAL HG12 H 1 0.95 0.01 . 2 . . . . 2 VAL HG1 . 15373 1 6 . 1 1 2 2 VAL HG13 H 1 0.95 0.01 . 2 . . . . 2 VAL HG1 . 15373 1 7 . 1 1 2 2 VAL N N 15 136.29 0.30 . 1 . . . . 2 VAL N . 15373 1 8 . 1 1 3 3 ASN H H 1 8.46 0.01 . 1 . . . . 3 ASN H . 15373 1 9 . 1 1 3 3 ASN HA H 1 4.62 0.01 . 1 . . . . 3 ASN HA . 15373 1 10 . 1 1 3 3 ASN HB2 H 1 2.71 0.01 . 2 . . . . 3 ASN HB2 . 15373 1 11 . 1 1 3 3 ASN HB3 H 1 2.65 0.01 . 2 . . . . 3 ASN HB3 . 15373 1 12 . 1 1 3 3 ASN C C 13 174.54 0.30 . 1 . . . . 3 ASN C . 15373 1 13 . 1 1 4 4 VAL H H 1 8.13 0.01 . 1 . . . . 4 VAL H . 15373 1 14 . 1 1 4 4 VAL HA H 1 4.03 0.01 . 1 . . . . 4 VAL HA . 15373 1 15 . 1 1 4 4 VAL HB H 1 2.01 0.01 . 1 . . . . 4 VAL HB . 15373 1 16 . 1 1 4 4 VAL HG11 H 1 0.82 0.01 . 2 . . . . 4 VAL HG1 . 15373 1 17 . 1 1 4 4 VAL HG12 H 1 0.82 0.01 . 2 . . . . 4 VAL HG1 . 15373 1 18 . 1 1 4 4 VAL HG13 H 1 0.82 0.01 . 2 . . . . 4 VAL HG1 . 15373 1 19 . 1 1 4 4 VAL HG21 H 1 0.81 0.01 . 2 . . . . 4 VAL HG2 . 15373 1 20 . 1 1 4 4 VAL HG22 H 1 0.81 0.01 . 2 . . . . 4 VAL HG2 . 15373 1 21 . 1 1 4 4 VAL HG23 H 1 0.81 0.01 . 2 . . . . 4 VAL HG2 . 15373 1 22 . 1 1 4 4 VAL C C 13 176.14 0.30 . 1 . . . . 4 VAL C . 15373 1 23 . 1 1 4 4 VAL CA C 13 61.98 0.30 . 1 . . . . 4 VAL CA . 15373 1 24 . 1 1 4 4 VAL CB C 13 32.09 0.30 . 1 . . . . 4 VAL CB . 15373 1 25 . 1 1 4 4 VAL CG1 C 13 20.37 0.30 . 2 . . . . 4 VAL CG1 . 15373 1 26 . 1 1 4 4 VAL CG2 C 13 20.37 0.30 . 2 . . . . 4 VAL CG2 . 15373 1 27 . 1 1 4 4 VAL N N 15 120.96 0.15 . 1 . . . . 4 VAL N . 15373 1 28 . 1 1 5 5 GLU H H 1 8.37 0.01 . 1 . . . . 5 GLU H . 15373 1 29 . 1 1 5 5 GLU HA H 1 4.16 0.01 . 1 . . . . 5 GLU HA . 15373 1 30 . 1 1 5 5 GLU HB3 H 1 1.92 0.01 . 2 . . . . 5 GLU HB3 . 15373 1 31 . 1 1 5 5 GLU HG3 H 1 2.16 0.01 . 2 . . . . 5 GLU HG3 . 15373 1 32 . 1 1 5 5 GLU C C 13 176.32 0.30 . 1 . . . . 5 GLU C . 15373 1 33 . 1 1 5 5 GLU CA C 13 56.12 0.30 . 1 . . . . 5 GLU CA . 15373 1 34 . 1 1 5 5 GLU CB C 13 30.33 0.30 . 1 . . . . 5 GLU CB . 15373 1 35 . 1 1 5 5 GLU CG C 13 36.19 0.30 . 1 . . . . 5 GLU CG . 15373 1 36 . 1 1 5 5 GLU N N 15 124.40 0.15 . 1 . . . . 5 GLU N . 15373 1 37 . 1 1 6 6 LYS H H 1 8.22 0.01 . 1 . . . . 6 LYS H . 15373 1 38 . 1 1 6 6 LYS HA H 1 4.13 0.01 . 1 . . . . 6 LYS HA . 15373 1 39 . 1 1 6 6 LYS HB3 H 1 1.70 0.01 . 2 . . . . 6 LYS HB3 . 15373 1 40 . 1 1 6 6 LYS HD3 H 1 1.59 0.01 . 2 . . . . 6 LYS HD3 . 15373 1 41 . 1 1 6 6 LYS HE3 H 1 2.80 0.01 . 2 . . . . 6 LYS HE3 . 15373 1 42 . 1 1 6 6 LYS HG3 H 1 1.33 0.01 . 2 . . . . 6 LYS HG3 . 15373 1 43 . 1 1 6 6 LYS C C 13 175.97 0.30 . 1 . . . . 6 LYS C . 15373 1 44 . 1 1 6 6 LYS CA C 13 56.12 0.30 . 1 . . . . 6 LYS CA . 15373 1 45 . 1 1 6 6 LYS CB C 13 33.26 0.30 . 1 . . . . 6 LYS CB . 15373 1 46 . 1 1 6 6 LYS CD C 13 29.16 0.30 . 1 . . . . 6 LYS CD . 15373 1 47 . 1 1 6 6 LYS CE C 13 42.64 0.30 . 1 . . . . 6 LYS CE . 15373 1 48 . 1 1 6 6 LYS CG C 13 24.47 0.30 . 1 . . . . 6 LYS CG . 15373 1 49 . 1 1 6 6 LYS N N 15 122.69 0.15 . 1 . . . . 6 LYS N . 15373 1 50 . 1 1 7 7 GLN H H 1 8.28 0.01 . 1 . . . . 7 GLN H . 15373 1 51 . 1 1 7 7 GLN HA H 1 4.17 0.01 . 1 . . . . 7 GLN HA . 15373 1 52 . 1 1 7 7 GLN HB3 H 1 1.87 0.01 . 2 . . . . 7 GLN HB3 . 15373 1 53 . 1 1 7 7 GLN HE21 H 1 7.54 0.01 . 2 . . . . 7 GLN HE21 . 15373 1 54 . 1 1 7 7 GLN HE22 H 1 6.85 0.01 . 2 . . . . 7 GLN HE22 . 15373 1 55 . 1 1 7 7 GLN HG3 H 1 2.38 0.01 . 2 . . . . 7 GLN HG3 . 15373 1 56 . 1 1 7 7 GLN CA C 13 56.12 0.30 . 1 . . . . 7 GLN CA . 15373 1 57 . 1 1 7 7 GLN CB C 13 29.16 0.30 . 1 . . . . 7 GLN CB . 15373 1 58 . 1 1 7 7 GLN CG C 13 36.19 0.30 . 1 . . . . 7 GLN CG . 15373 1 59 . 1 1 7 7 GLN N N 15 123.00 0.15 . 1 . . . . 7 GLN N . 15373 1 60 . 1 1 8 8 LYS HA H 1 4.37 0.01 . 1 . . . . 8 LYS HA . 15373 1 61 . 1 1 8 8 LYS HB2 H 1 1.85 0.01 . 2 . . . . 8 LYS HB2 . 15373 1 62 . 1 1 8 8 LYS HB3 H 1 1.76 0.01 . 2 . . . . 8 LYS HB3 . 15373 1 63 . 1 1 8 8 LYS HD3 H 1 1.70 0.01 . 2 . . . . 8 LYS HD3 . 15373 1 64 . 1 1 8 8 LYS HE3 H 1 3.02 0.01 . 2 . . . . 8 LYS HE3 . 15373 1 65 . 1 1 8 8 LYS HG3 H 1 1.45 0.01 . 2 . . . . 8 LYS HG3 . 15373 1 66 . 1 1 8 8 LYS CA C 13 53.77 0.30 . 1 . . . . 8 LYS CA . 15373 1 67 . 1 1 8 8 LYS CB C 13 32.09 0.30 . 1 . . . . 8 LYS CB . 15373 1 68 . 1 1 8 8 LYS CD C 13 29.16 0.30 . 1 . . . . 8 LYS CD . 15373 1 69 . 1 1 8 8 LYS CE C 13 42.64 0.30 . 1 . . . . 8 LYS CE . 15373 1 70 . 1 1 8 8 LYS CG C 13 24.47 0.30 . 1 . . . . 8 LYS CG . 15373 1 71 . 1 1 9 9 PRO HA H 1 4.07 0.01 . 1 . . . . 9 PRO HA . 15373 1 72 . 1 1 9 9 PRO HB2 H 1 2.04 0.01 . 1 . . . . 9 PRO HB2 . 15373 1 73 . 1 1 9 9 PRO HB3 H 1 1.67 0.01 . 1 . . . . 9 PRO HB3 . 15373 1 74 . 1 1 9 9 PRO HD2 H 1 3.90 0.01 . 2 . . . . 9 PRO HD2 . 15373 1 75 . 1 1 9 9 PRO HG3 H 1 1.86 0.01 . 2 . . . . 9 PRO HG3 . 15373 1 76 . 1 1 9 9 PRO C C 13 177.59 0.30 . 1 . . . . 9 PRO C . 15373 1 77 . 1 1 9 9 PRO CA C 13 62.57 0.30 . 1 . . . . 9 PRO CA . 15373 1 78 . 1 1 9 9 PRO CB C 13 31.50 0.30 . 1 . . . . 9 PRO CB . 15373 1 79 . 1 1 9 9 PRO CD C 13 50.26 0.30 . 1 . . . . 9 PRO CD . 15373 1 80 . 1 1 9 9 PRO CG C 13 26.81 0.30 . 1 . . . . 9 PRO CG . 15373 1 81 . 1 1 10 10 ALA H H 1 8.39 0.01 . 1 . . . . 10 ALA H . 15373 1 82 . 1 1 10 10 ALA HA H 1 3.92 0.01 . 1 . . . . 10 ALA HA . 15373 1 83 . 1 1 10 10 ALA HB1 H 1 1.16 0.01 . 1 . . . . 10 ALA HB . 15373 1 84 . 1 1 10 10 ALA HB2 H 1 1.16 0.01 . 1 . . . . 10 ALA HB . 15373 1 85 . 1 1 10 10 ALA HB3 H 1 1.16 0.01 . 1 . . . . 10 ALA HB . 15373 1 86 . 1 1 10 10 ALA C C 13 177.63 0.30 . 1 . . . . 10 ALA C . 15373 1 87 . 1 1 10 10 ALA CA C 13 54.36 0.30 . 1 . . . . 10 ALA CA . 15373 1 88 . 1 1 10 10 ALA CB C 13 18.61 0.30 . 1 . . . . 10 ALA CB . 15373 1 89 . 1 1 10 10 ALA N N 15 122.81 0.15 . 1 . . . . 10 ALA N . 15373 1 90 . 1 1 11 11 VAL H H 1 7.30 0.01 . 1 . . . . 11 VAL H . 15373 1 91 . 1 1 11 11 VAL HA H 1 4.09 0.01 . 1 . . . . 11 VAL HA . 15373 1 92 . 1 1 11 11 VAL HB H 1 1.91 0.01 . 1 . . . . 11 VAL HB . 15373 1 93 . 1 1 11 11 VAL HG11 H 1 0.66 0.01 . 2 . . . . 11 VAL HG1 . 15373 1 94 . 1 1 11 11 VAL HG12 H 1 0.66 0.01 . 2 . . . . 11 VAL HG1 . 15373 1 95 . 1 1 11 11 VAL HG13 H 1 0.66 0.01 . 2 . . . . 11 VAL HG1 . 15373 1 96 . 1 1 11 11 VAL HG21 H 1 0.59 0.01 . 2 . . . . 11 VAL HG2 . 15373 1 97 . 1 1 11 11 VAL HG22 H 1 0.59 0.01 . 2 . . . . 11 VAL HG2 . 15373 1 98 . 1 1 11 11 VAL HG23 H 1 0.59 0.01 . 2 . . . . 11 VAL HG2 . 15373 1 99 . 1 1 11 11 VAL C C 13 173.63 0.30 . 1 . . . . 11 VAL C . 15373 1 100 . 1 1 11 11 VAL CA C 13 59.05 0.30 . 1 . . . . 11 VAL CA . 15373 1 101 . 1 1 11 11 VAL CB C 13 34.43 0.30 . 1 . . . . 11 VAL CB . 15373 1 102 . 1 1 11 11 VAL CG1 C 13 20.95 0.30 . 2 . . . . 11 VAL CG1 . 15373 1 103 . 1 1 11 11 VAL CG2 C 13 19.78 0.30 . 2 . . . . 11 VAL CG2 . 15373 1 104 . 1 1 11 11 VAL N N 15 110.83 0.15 . 1 . . . . 11 VAL N . 15373 1 105 . 1 1 12 12 SER H H 1 8.02 0.01 . 1 . . . . 12 SER H . 15373 1 106 . 1 1 12 12 SER HA H 1 4.26 0.01 . 1 . . . . 12 SER HA . 15373 1 107 . 1 1 12 12 SER HB2 H 1 3.92 0.01 . 2 . . . . 12 SER HB2 . 15373 1 108 . 1 1 12 12 SER HB3 H 1 3.73 0.01 . 2 . . . . 12 SER HB3 . 15373 1 109 . 1 1 12 12 SER C C 13 176.39 0.30 . 1 . . . . 12 SER C . 15373 1 110 . 1 1 12 12 SER CA C 13 57.29 0.30 . 1 . . . . 12 SER CA . 15373 1 111 . 1 1 12 12 SER CB C 13 63.74 0.30 . 1 . . . . 12 SER CB . 15373 1 112 . 1 1 12 12 SER N N 15 115.31 0.15 . 1 . . . . 12 SER N . 15373 1 113 . 1 1 13 13 VAL H H 1 8.66 0.01 . 1 . . . . 13 VAL H . 15373 1 114 . 1 1 13 13 VAL HA H 1 3.51 0.01 . 1 . . . . 13 VAL HA . 15373 1 115 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . 13 VAL HB . 15373 1 116 . 1 1 13 13 VAL HG11 H 1 1.03 0.01 . 2 . . . . 13 VAL HG1 . 15373 1 117 . 1 1 13 13 VAL HG12 H 1 1.03 0.01 . 2 . . . . 13 VAL HG1 . 15373 1 118 . 1 1 13 13 VAL HG13 H 1 1.03 0.01 . 2 . . . . 13 VAL HG1 . 15373 1 119 . 1 1 13 13 VAL HG21 H 1 1.00 0.01 . 2 . . . . 13 VAL HG2 . 15373 1 120 . 1 1 13 13 VAL HG22 H 1 1.00 0.01 . 2 . . . . 13 VAL HG2 . 15373 1 121 . 1 1 13 13 VAL HG23 H 1 1.00 0.01 . 2 . . . . 13 VAL HG2 . 15373 1 122 . 1 1 13 13 VAL CA C 13 66.08 0.30 . 1 . . . . 13 VAL CA . 15373 1 123 . 1 1 13 13 VAL CB C 13 31.50 0.30 . 1 . . . . 13 VAL CB . 15373 1 124 . 1 1 13 13 VAL CG1 C 13 22.13 0.30 . 2 . . . . 13 VAL CG1 . 15373 1 125 . 1 1 13 13 VAL CG2 C 13 20.95 0.30 . 2 . . . . 13 VAL CG2 . 15373 1 126 . 1 1 13 13 VAL N N 15 124.93 0.15 . 1 . . . . 13 VAL N . 15373 1 127 . 1 1 14 14 ARG H H 1 8.62 0.01 . 1 . . . . 14 ARG H . 15373 1 128 . 1 1 14 14 ARG HA H 1 4.38 0.01 . 1 . . . . 14 ARG HA . 15373 1 129 . 1 1 14 14 ARG HB2 H 1 1.89 0.01 . 2 . . . . 14 ARG HB2 . 15373 1 130 . 1 1 14 14 ARG HB3 H 1 1.79 0.01 . 2 . . . . 14 ARG HB3 . 15373 1 131 . 1 1 14 14 ARG HD3 H 1 3.32 0.01 . 2 . . . . 14 ARG HD3 . 15373 1 132 . 1 1 14 14 ARG HG3 H 1 1.70 0.01 . 2 . . . . 14 ARG HG3 . 15373 1 133 . 1 1 14 14 ARG C C 13 176.86 0.30 . 1 . . . . 14 ARG C . 15373 1 134 . 1 1 15 15 LYS H H 1 7.72 0.01 . 1 . . . . 15 LYS H . 15373 1 135 . 1 1 15 15 LYS HA H 1 4.43 0.01 . 1 . . . . 15 LYS HA . 15373 1 136 . 1 1 15 15 LYS HB3 H 1 1.40 0.01 . 2 . . . . 15 LYS HB3 . 15373 1 137 . 1 1 15 15 LYS HD3 H 1 1.33 0.01 . 2 . . . . 15 LYS HD3 . 15373 1 138 . 1 1 15 15 LYS HE3 H 1 3.02 0.01 . 2 . . . . 15 LYS HE3 . 15373 1 139 . 1 1 15 15 LYS HG3 H 1 1.62 0.01 . 2 . . . . 15 LYS HG3 . 15373 1 140 . 1 1 15 15 LYS C C 13 176.93 0.30 . 1 . . . . 15 LYS C . 15373 1 141 . 1 1 15 15 LYS CA C 13 56.12 0.30 . 1 . . . . 15 LYS CA . 15373 1 142 . 1 1 15 15 LYS CB C 13 32.68 0.30 . 1 . . . . 15 LYS CB . 15373 1 143 . 1 1 15 15 LYS CD C 13 28.57 0.30 . 1 . . . . 15 LYS CD . 15373 1 144 . 1 1 15 15 LYS CG C 13 24.47 0.30 . 1 . . . . 15 LYS CG . 15373 1 145 . 1 1 15 15 LYS N N 15 118.95 0.15 . 1 . . . . 15 LYS N . 15373 1 146 . 1 1 16 16 SER H H 1 7.82 0.01 . 1 . . . . 16 SER H . 15373 1 147 . 1 1 16 16 SER HA H 1 4.07 0.01 . 1 . . . . 16 SER HA . 15373 1 148 . 1 1 16 16 SER HB2 H 1 4.12 0.01 . 2 . . . . 16 SER HB2 . 15373 1 149 . 1 1 16 16 SER HB3 H 1 3.86 0.01 . 2 . . . . 16 SER HB3 . 15373 1 150 . 1 1 16 16 SER C C 13 172.65 0.30 . 1 . . . . 16 SER C . 15373 1 151 . 1 1 16 16 SER CA C 13 60.22 0.30 . 1 . . . . 16 SER CA . 15373 1 152 . 1 1 16 16 SER CB C 13 63.74 0.30 . 1 . . . . 16 SER CB . 15373 1 153 . 1 1 16 16 SER N N 15 114.64 0.15 . 1 . . . . 16 SER N . 15373 1 154 . 1 1 17 17 VAL H H 1 7.76 0.01 . 1 . . . . 17 VAL H . 15373 1 155 . 1 1 17 17 VAL HA H 1 5.15 0.01 . 1 . . . . 17 VAL HA . 15373 1 156 . 1 1 17 17 VAL HB H 1 1.89 0.01 . 1 . . . . 17 VAL HB . 15373 1 157 . 1 1 17 17 VAL HG21 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 15373 1 158 . 1 1 17 17 VAL HG22 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 15373 1 159 . 1 1 17 17 VAL HG23 H 1 0.69 0.01 . 2 . . . . 17 VAL HG2 . 15373 1 160 . 1 1 17 17 VAL C C 13 175.53 0.30 . 1 . . . . 17 VAL C . 15373 1 161 . 1 1 17 17 VAL CA C 13 62.57 0.30 . 1 . . . . 17 VAL CA . 15373 1 162 . 1 1 17 17 VAL CB C 13 32.09 0.30 . 1 . . . . 17 VAL CB . 15373 1 163 . 1 1 17 17 VAL CG1 C 13 20.95 0.30 . 2 . . . . 17 VAL CG1 . 15373 1 164 . 1 1 17 17 VAL N N 15 121.12 0.15 . 1 . . . . 17 VAL N . 15373 1 165 . 1 1 18 18 GLN H H 1 8.11 0.01 . 1 . . . . 18 GLN H . 15373 1 166 . 1 1 18 18 GLN HA H 1 4.41 0.01 . 1 . . . . 18 GLN HA . 15373 1 167 . 1 1 18 18 GLN HB2 H 1 1.99 0.01 . 2 . . . . 18 GLN HB2 . 15373 1 168 . 1 1 18 18 GLN HB3 H 1 1.00 0.01 . 2 . . . . 18 GLN HB3 . 15373 1 169 . 1 1 18 18 GLN HE21 H 1 7.17 0.01 . 2 . . . . 18 GLN HE21 . 15373 1 170 . 1 1 18 18 GLN HE22 H 1 6.80 0.01 . 2 . . . . 18 GLN HE22 . 15373 1 171 . 1 1 18 18 GLN HG2 H 1 2.15 0.01 . 2 . . . . 18 GLN HG2 . 15373 1 172 . 1 1 18 18 GLN HG3 H 1 1.91 0.01 . 2 . . . . 18 GLN HG3 . 15373 1 173 . 1 1 18 18 GLN C C 13 174.68 0.30 . 1 . . . . 18 GLN C . 15373 1 174 . 1 1 18 18 GLN CA C 13 53.19 0.30 . 1 . . . . 18 GLN CA . 15373 1 175 . 1 1 18 18 GLN CB C 13 29.16 0.30 . 1 . . . . 18 GLN CB . 15373 1 176 . 1 1 18 18 GLN CG C 13 33.26 0.30 . 1 . . . . 18 GLN CG . 15373 1 177 . 1 1 18 18 GLN N N 15 126.04 0.15 . 1 . . . . 18 GLN N . 15373 1 178 . 1 1 18 18 GLN NE2 N 15 112.47 0.15 . 1 . . . . 18 GLN NE2 . 15373 1 179 . 1 1 19 19 ASP H H 1 8.27 0.01 . 1 . . . . 19 ASP H . 15373 1 180 . 1 1 19 19 ASP HA H 1 4.19 0.01 . 1 . . . . 19 ASP HA . 15373 1 181 . 1 1 19 19 ASP HB3 H 1 2.48 0.01 . 2 . . . . 19 ASP HB3 . 15373 1 182 . 1 1 19 19 ASP C C 13 176.20 0.30 . 1 . . . . 19 ASP C . 15373 1 183 . 1 1 19 19 ASP CA C 13 57.29 0.30 . 1 . . . . 19 ASP CA . 15373 1 184 . 1 1 19 19 ASP CB C 13 40.88 0.30 . 1 . . . . 19 ASP CB . 15373 1 185 . 1 1 19 19 ASP N N 15 117.47 0.15 . 1 . . . . 19 ASP N . 15373 1 186 . 1 1 20 20 ASP H H 1 7.99 0.01 . 1 . . . . 20 ASP H . 15373 1 187 . 1 1 20 20 ASP HA H 1 4.53 0.01 . 1 . . . . 20 ASP HA . 15373 1 188 . 1 1 20 20 ASP HB2 H 1 2.89 0.01 . 2 . . . . 20 ASP HB2 . 15373 1 189 . 1 1 20 20 ASP HB3 H 1 2.49 0.01 . 2 . . . . 20 ASP HB3 . 15373 1 190 . 1 1 20 20 ASP C C 13 175.66 0.30 . 1 . . . . 20 ASP C . 15373 1 191 . 1 1 20 20 ASP CA C 13 52.60 0.30 . 1 . . . . 20 ASP CA . 15373 1 192 . 1 1 20 20 ASP CB C 13 41.47 0.30 . 1 . . . . 20 ASP CB . 15373 1 193 . 1 1 20 20 ASP N N 15 110.77 0.15 . 1 . . . . 20 ASP N . 15373 1 194 . 1 1 21 21 HIS H H 1 7.16 0.01 . 1 . . . . 21 HIS H . 15373 1 195 . 1 1 21 21 HIS HA H 1 4.57 0.01 . 1 . . . . 21 HIS HA . 15373 1 196 . 1 1 21 21 HIS HB2 H 1 3.04 0.01 . 2 . . . . 21 HIS HB2 . 15373 1 197 . 1 1 21 21 HIS HB3 H 1 2.58 0.01 . 2 . . . . 21 HIS HB3 . 15373 1 198 . 1 1 21 21 HIS HD2 H 1 6.33 0.01 . 1 . . . . 21 HIS HD2 . 15373 1 199 . 1 1 21 21 HIS HE1 H 1 7.82 0.01 . 1 . . . . 21 HIS HE1 . 15373 1 200 . 1 1 21 21 HIS C C 13 170.53 0.30 . 1 . . . . 21 HIS C . 15373 1 201 . 1 1 21 21 HIS CA C 13 56.12 0.30 . 1 . . . . 21 HIS CA . 15373 1 202 . 1 1 21 21 HIS CB C 13 30.92 0.30 . 1 . . . . 21 HIS CB . 15373 1 203 . 1 1 21 21 HIS CD2 C 13 123.43 0.3 . 1 . . . . 21 HIS CD2 . 15373 1 204 . 1 1 21 21 HIS CE1 C 13 138.03 0.3 . 1 . . . . 21 HIS CE1 . 15373 1 205 . 1 1 21 21 HIS N N 15 113.65 0.15 . 1 . . . . 21 HIS N . 15373 1 206 . 1 1 21 21 HIS ND1 N 15 183.14 0.15 . 1 . . . . 21 HIS ND1 . 15373 1 207 . 1 1 21 21 HIS NE2 N 15 212.07 0.15 . 1 . . . . 21 HIS NE2 . 15373 1 208 . 1 1 22 22 ILE H H 1 9.15 0.01 . 1 . . . . 22 ILE H . 15373 1 209 . 1 1 22 22 ILE HA H 1 4.62 0.01 . 1 . . . . 22 ILE HA . 15373 1 210 . 1 1 22 22 ILE HB H 1 1.44 0.01 . 1 . . . . 22 ILE HB . 15373 1 211 . 1 1 22 22 ILE HD11 H 1 0.53 0.01 . 1 . . . . 22 ILE HD1 . 15373 1 212 . 1 1 22 22 ILE HD12 H 1 0.53 0.01 . 1 . . . . 22 ILE HD1 . 15373 1 213 . 1 1 22 22 ILE HD13 H 1 0.53 0.01 . 1 . . . . 22 ILE HD1 . 15373 1 214 . 1 1 22 22 ILE HG12 H 1 1.31 0.01 . 2 . . . . 22 ILE HG12 . 15373 1 215 . 1 1 22 22 ILE HG13 H 1 0.92 0.01 . 2 . . . . 22 ILE HG13 . 15373 1 216 . 1 1 22 22 ILE HG21 H 1 1.00 0.01 . 1 . . . . 22 ILE HG2 . 15373 1 217 . 1 1 22 22 ILE HG22 H 1 1.00 0.01 . 1 . . . . 22 ILE HG2 . 15373 1 218 . 1 1 22 22 ILE HG23 H 1 1.00 0.01 . 1 . . . . 22 ILE HG2 . 15373 1 219 . 1 1 22 22 ILE C C 13 175.16 0.30 . 1 . . . . 22 ILE C . 15373 1 220 . 1 1 22 22 ILE CA C 13 59.05 0.30 . 1 . . . . 22 ILE CA . 15373 1 221 . 1 1 22 22 ILE CB C 13 41.47 0.30 . 1 . . . . 22 ILE CB . 15373 1 222 . 1 1 22 22 ILE CD1 C 13 13.33 0.30 . 1 . . . . 22 ILE CD1 . 15373 1 223 . 1 1 22 22 ILE CG1 C 13 28.57 0.30 . 1 . . . . 22 ILE CG1 . 15373 1 224 . 1 1 22 22 ILE CG2 C 13 19.20 0.30 . 1 . . . . 22 ILE CG2 . 15373 1 225 . 1 1 22 22 ILE N N 15 119.32 0.15 . 1 . . . . 22 ILE N . 15373 1 226 . 1 1 23 23 VAL H H 1 9.10 0.01 . 1 . . . . 23 VAL H . 15373 1 227 . 1 1 23 23 VAL HA H 1 4.58 0.01 . 1 . . . . 23 VAL HA . 15373 1 228 . 1 1 23 23 VAL HB H 1 1.68 0.01 . 1 . . . . 23 VAL HB . 15373 1 229 . 1 1 23 23 VAL HG11 H 1 0.88 0.01 . 2 . . . . 23 VAL HG1 . 15373 1 230 . 1 1 23 23 VAL HG12 H 1 0.88 0.01 . 2 . . . . 23 VAL HG1 . 15373 1 231 . 1 1 23 23 VAL HG13 H 1 0.88 0.01 . 2 . . . . 23 VAL HG1 . 15373 1 232 . 1 1 23 23 VAL HG21 H 1 0.61 0.01 . 2 . . . . 23 VAL HG2 . 15373 1 233 . 1 1 23 23 VAL HG22 H 1 0.61 0.01 . 2 . . . . 23 VAL HG2 . 15373 1 234 . 1 1 23 23 VAL HG23 H 1 0.61 0.01 . 2 . . . . 23 VAL HG2 . 15373 1 235 . 1 1 23 23 VAL C C 13 175.73 0.30 . 1 . . . . 23 VAL C . 15373 1 236 . 1 1 23 23 VAL CA C 13 61.39 0.30 . 1 . . . . 23 VAL CA . 15373 1 237 . 1 1 23 23 VAL CB C 13 32.68 0.30 . 1 . . . . 23 VAL CB . 15373 1 238 . 1 1 23 23 VAL CG2 C 13 20.95 0.30 . 2 . . . . 23 VAL CG2 . 15373 1 239 . 1 1 23 23 VAL N N 15 127.13 0.15 . 1 . . . . 23 VAL N . 15373 1 240 . 1 1 24 24 CYS H H 1 9.04 0.01 . 1 . . . . 24 CYS H . 15373 1 241 . 1 1 24 24 CYS HA H 1 4.24 0.01 . 1 . . . . 24 CYS HA . 15373 1 242 . 1 1 24 24 CYS HB2 H 1 3.28 0.01 . 2 . . . . 24 CYS HB2 . 15373 1 243 . 1 1 24 24 CYS HB3 H 1 2.65 0.01 . 2 . . . . 24 CYS HB3 . 15373 1 244 . 1 1 24 24 CYS C C 13 177.55 0.30 . 1 . . . . 24 CYS C . 15373 1 245 . 1 1 24 24 CYS CA C 13 59.64 0.30 . 1 . . . . 24 CYS CA . 15373 1 246 . 1 1 24 24 CYS CB C 13 30.92 0.30 . 1 . . . . 24 CYS CB . 15373 1 247 . 1 1 24 24 CYS N N 15 129.06 0.15 . 1 . . . . 24 CYS N . 15373 1 248 . 1 1 25 25 LEU H H 1 9.27 0.01 . 1 . . . . 25 LEU H . 15373 1 249 . 1 1 25 25 LEU HA H 1 3.70 0.01 . 1 . . . . 25 LEU HA . 15373 1 250 . 1 1 25 25 LEU HB2 H 1 0.36 0.01 . 2 . . . . 25 LEU HB2 . 15373 1 251 . 1 1 25 25 LEU HB3 H 1 -0.27 0.01 . 2 . . . . 25 LEU HB3 . 15373 1 252 . 1 1 25 25 LEU HD21 H 1 0.428 0.01 . 2 . . . . 25 LEU HD2 . 15373 1 253 . 1 1 25 25 LEU HD22 H 1 0.428 0.01 . 2 . . . . 25 LEU HD2 . 15373 1 254 . 1 1 25 25 LEU HD23 H 1 0.428 0.01 . 2 . . . . 25 LEU HD2 . 15373 1 255 . 1 1 25 25 LEU HG H 1 0.17 0.01 . 1 . . . . 25 LEU HG . 15373 1 256 . 1 1 25 25 LEU C C 13 178.21 0.30 . 1 . . . . 25 LEU C . 15373 1 257 . 1 1 25 25 LEU CA C 13 56.71 0.30 . 1 . . . . 25 LEU CA . 15373 1 258 . 1 1 25 25 LEU CB C 13 39.12 0.30 . 1 . . . . 25 LEU CB . 15373 1 259 . 1 1 25 25 LEU CD1 C 13 22.71 0.30 . 1 . . . . 25 LEU CD1 . 15373 1 260 . 1 1 25 25 LEU CG C 13 25.64 0.30 . 1 . . . . 25 LEU CG . 15373 1 261 . 1 1 25 25 LEU N N 15 130.83 0.15 . 1 . . . . 25 LEU N . 15373 1 262 . 1 1 26 26 GLU H H 1 9.01 0.01 . 1 . . . . 26 GLU H . 15373 1 263 . 1 1 26 26 GLU HA H 1 4.07 0.01 . 1 . . . . 26 GLU HA . 15373 1 264 . 1 1 26 26 GLU HB2 H 1 1.65 0.01 . 2 . . . . 26 GLU HB2 . 15373 1 265 . 1 1 26 26 GLU HB3 H 1 1.45 0.01 . 2 . . . . 26 GLU HB3 . 15373 1 266 . 1 1 26 26 GLU HG3 H 1 2.20 0.01 . 2 . . . . 26 GLU HG3 . 15373 1 267 . 1 1 26 26 GLU C C 13 177.36 0.30 . 1 . . . . 26 GLU C . 15373 1 268 . 1 1 26 26 GLU CA C 13 58.46 0.30 . 1 . . . . 26 GLU CA . 15373 1 269 . 1 1 26 26 GLU CB C 13 29.75 0.30 . 1 . . . . 26 GLU CB . 15373 1 270 . 1 1 26 26 GLU CG C 13 36.19 0.30 . 1 . . . . 26 GLU CG . 15373 1 271 . 1 1 26 26 GLU N N 15 117.40 0.15 . 1 . . . . 26 GLU N . 15373 1 272 . 1 1 27 27 CYS H H 1 7.87 0.01 . 1 . . . . 27 CYS H . 15373 1 273 . 1 1 27 27 CYS HA H 1 5.18 0.01 . 1 . . . . 27 CYS HA . 15373 1 274 . 1 1 27 27 CYS HB2 H 1 3.49 0.01 . 2 . . . . 27 CYS HB2 . 15373 1 275 . 1 1 27 27 CYS HB3 H 1 3.13 0.01 . 2 . . . . 27 CYS HB3 . 15373 1 276 . 1 1 27 27 CYS C C 13 176.48 0.30 . 1 . . . . 27 CYS C . 15373 1 277 . 1 1 27 27 CYS CA C 13 57.88 0.30 . 1 . . . . 27 CYS CA . 15373 1 278 . 1 1 27 27 CYS CB C 13 32.68 0.30 . 1 . . . . 27 CYS CB . 15373 1 279 . 1 1 27 27 CYS N N 15 112.59 0.15 . 1 . . . . 27 CYS N . 15373 1 280 . 1 1 28 28 GLY H H 1 8.51 0.01 . 1 . . . . 28 GLY H . 15373 1 281 . 1 1 28 28 GLY HA2 H 1 4.09 0.01 . 2 . . . . 28 GLY HA2 . 15373 1 282 . 1 1 28 28 GLY HA3 H 1 3.53 0.01 . 2 . . . . 28 GLY HA3 . 15373 1 283 . 1 1 28 28 GLY C C 13 173.99 0.30 . 1 . . . . 28 GLY C . 15373 1 284 . 1 1 28 28 GLY CA C 13 46.16 0.30 . 1 . . . . 28 GLY CA . 15373 1 285 . 1 1 28 28 GLY N N 15 114.24 0.15 . 1 . . . . 28 GLY N . 15373 1 286 . 1 1 29 29 GLY H H 1 8.52 0.01 . 1 . . . . 29 GLY H . 15373 1 287 . 1 1 29 29 GLY HA2 H 1 3.92 0.01 . 2 . . . . 29 GLY HA2 . 15373 1 288 . 1 1 29 29 GLY HA3 H 1 3.39 0.01 . 2 . . . . 29 GLY HA3 . 15373 1 289 . 1 1 29 29 GLY C C 13 170.89 0.30 . 1 . . . . 29 GLY C . 15373 1 290 . 1 1 29 29 GLY CA C 13 44.40 0.30 . 1 . . . . 29 GLY CA . 15373 1 291 . 1 1 29 29 GLY N N 15 110.26 0.15 . 1 . . . . 29 GLY N . 15373 1 292 . 1 1 30 30 SER H H 1 7.53 0.01 . 1 . . . . 30 SER H . 15373 1 293 . 1 1 30 30 SER HA H 1 4.78 0.01 . 1 . . . . 30 SER HA . 15373 1 294 . 1 1 30 30 SER HB2 H 1 3.16 0.01 . 2 . . . . 30 SER HB2 . 15373 1 295 . 1 1 30 30 SER HB3 H 1 2.99 0.01 . 2 . . . . 30 SER HB3 . 15373 1 296 . 1 1 30 30 SER C C 13 173.45 0.30 . 1 . . . . 30 SER C . 15373 1 297 . 1 1 30 30 SER CA C 13 57.29 0.30 . 1 . . . . 30 SER CA . 15373 1 298 . 1 1 30 30 SER CB C 13 64.32 0.30 . 1 . . . . 30 SER CB . 15373 1 299 . 1 1 30 30 SER N N 15 115.29 0.15 . 1 . . . . 30 SER N . 15373 1 300 . 1 1 31 31 PHE H H 1 8.88 0.01 . 1 . . . . 31 PHE H . 15373 1 301 . 1 1 31 31 PHE HA H 1 4.61 0.01 . 1 . . . . 31 PHE HA . 15373 1 302 . 1 1 31 31 PHE HB2 H 1 3.14 0.01 . 2 . . . . 31 PHE HB2 . 15373 1 303 . 1 1 31 31 PHE HB3 H 1 2.06 0.01 . 2 . . . . 31 PHE HB3 . 15373 1 304 . 1 1 31 31 PHE HD2 H 1 6.84 0.01 . 3 . . . . 31 PHE HD2 . 15373 1 305 . 1 1 31 31 PHE HE2 H 1 6.46 0.01 . 3 . . . . 31 PHE HE2 . 15373 1 306 . 1 1 31 31 PHE HZ H 1 6.50 0.01 . 1 . . . . 31 PHE HZ . 15373 1 307 . 1 1 31 31 PHE C C 13 175.05 0.30 . 1 . . . . 31 PHE C . 15373 1 308 . 1 1 31 31 PHE CA C 13 57.29 0.30 . 1 . . . . 31 PHE CA . 15373 1 309 . 1 1 31 31 PHE CB C 13 43.81 0.30 . 1 . . . . 31 PHE CB . 15373 1 310 . 1 1 31 31 PHE CD2 C 13 132.33 0.3 . 3 . . . . 31 PHE CD1 . 15373 1 311 . 1 1 31 31 PHE CE2 C 13 131.44 0.3 . 3 . . . . 31 PHE CE1 . 15373 1 312 . 1 1 31 31 PHE N N 15 120.66 0.15 . 1 . . . . 31 PHE N . 15373 1 313 . 1 1 32 32 LYS H H 1 8.78 0.01 . 1 . . . . 32 LYS H . 15373 1 314 . 1 1 32 32 LYS HA H 1 4.12 0.01 . 1 . . . . 32 LYS HA . 15373 1 315 . 1 1 32 32 LYS HB3 H 1 1.31 0.01 . 2 . . . . 32 LYS HB3 . 15373 1 316 . 1 1 32 32 LYS HD3 H 1 1.57 0.01 . 2 . . . . 32 LYS HD3 . 15373 1 317 . 1 1 32 32 LYS HE3 H 1 2.68 0.01 . 2 . . . . 32 LYS HE3 . 15373 1 318 . 1 1 32 32 LYS HG3 H 1 1.23 0.01 . 2 . . . . 32 LYS HG3 . 15373 1 319 . 1 1 32 32 LYS C C 13 175.86 0.30 . 1 . . . . 32 LYS C . 15373 1 320 . 1 1 32 32 LYS CA C 13 59.71 0.30 . 1 . . . . 32 LYS CA . 15373 1 321 . 1 1 32 32 LYS CB C 13 31.09 0.30 . 1 . . . . 32 LYS CB . 15373 1 322 . 1 1 32 32 LYS CD C 13 29.16 0.30 . 1 . . . . 32 LYS CD . 15373 1 323 . 1 1 32 32 LYS CE C 13 42.05 0.30 . 1 . . . . 32 LYS CE . 15373 1 324 . 1 1 32 32 LYS CG C 13 25.06 0.30 . 1 . . . . 32 LYS CG . 15373 1 325 . 1 1 32 32 LYS N N 15 121.93 0.15 . 1 . . . . 32 LYS N . 15373 1 326 . 1 1 33 33 SER H H 1 7.57 0.01 . 1 . . . . 33 SER H . 15373 1 327 . 1 1 33 33 SER HA H 1 5.02 0.01 . 1 . . . . 33 SER HA . 15373 1 328 . 1 1 33 33 SER HB3 H 1 3.81 0.01 . 2 . . . . 33 SER HB3 . 15373 1 329 . 1 1 33 33 SER C C 13 175.63 0.30 . 1 . . . . 33 SER C . 15373 1 330 . 1 1 33 33 SER CA C 13 55.53 0.30 . 1 . . . . 33 SER CA . 15373 1 331 . 1 1 33 33 SER CB C 13 63.74 0.30 . 1 . . . . 33 SER CB . 15373 1 332 . 1 1 33 33 SER N N 15 108.66 0.15 . 1 . . . . 33 SER N . 15373 1 333 . 1 1 34 34 LEU H H 1 8.73 0.01 . 1 . . . . 34 LEU H . 15373 1 334 . 1 1 34 34 LEU HA H 1 4.07 0.01 . 1 . . . . 34 LEU HA . 15373 1 335 . 1 1 34 34 LEU HB2 H 1 1.76 0.01 . 2 . . . . 34 LEU HB2 . 15373 1 336 . 1 1 34 34 LEU HB3 H 1 1.46 0.01 . 2 . . . . 34 LEU HB3 . 15373 1 337 . 1 1 34 34 LEU HD11 H 1 0.90 0.01 . 2 . . . . 34 LEU HD1 . 15373 1 338 . 1 1 34 34 LEU HD12 H 1 0.90 0.01 . 2 . . . . 34 LEU HD1 . 15373 1 339 . 1 1 34 34 LEU HD13 H 1 0.90 0.01 . 2 . . . . 34 LEU HD1 . 15373 1 340 . 1 1 34 34 LEU HD21 H 1 0.76 0.01 . 2 . . . . 34 LEU HD2 . 15373 1 341 . 1 1 34 34 LEU HD22 H 1 0.76 0.01 . 2 . . . . 34 LEU HD2 . 15373 1 342 . 1 1 34 34 LEU HD23 H 1 0.76 0.01 . 2 . . . . 34 LEU HD2 . 15373 1 343 . 1 1 34 34 LEU C C 13 178.01 0.30 . 1 . . . . 34 LEU C . 15373 1 344 . 1 1 34 34 LEU CA C 13 56.12 0.30 . 1 . . . . 34 LEU CA . 15373 1 345 . 1 1 34 34 LEU CB C 13 43.81 0.30 . 1 . . . . 34 LEU CB . 15373 1 346 . 1 1 34 34 LEU CD1 C 13 24.47 0.30 . 2 . . . . 34 LEU CD1 . 15373 1 347 . 1 1 34 34 LEU CD2 C 13 23.30 0.30 . 2 . . . . 34 LEU CD2 . 15373 1 348 . 1 1 34 34 LEU CG C 13 26.82 0.30 . 1 . . . . 34 LEU CG . 15373 1 349 . 1 1 34 34 LEU N N 15 127.51 0.15 . 1 . . . . 34 LEU N . 15373 1 350 . 1 1 35 35 LYS H H 1 7.97 0.01 . 1 . . . . 35 LYS H . 15373 1 351 . 1 1 35 35 LYS HA H 1 3.67 0.01 . 1 . . . . 35 LYS HA . 15373 1 352 . 1 1 35 35 LYS HB3 H 1 1.74 0.01 . 2 . . . . 35 LYS HB3 . 15373 1 353 . 1 1 35 35 LYS HD3 H 1 1.59 0.01 . 2 . . . . 35 LYS HD3 . 15373 1 354 . 1 1 35 35 LYS HE3 H 1 2.89 0.01 . 2 . . . . 35 LYS HE3 . 15373 1 355 . 1 1 35 35 LYS HG3 H 1 1.27 0.01 . 2 . . . . 35 LYS HG3 . 15373 1 356 . 1 1 35 35 LYS CA C 13 61.39 0.30 . 1 . . . . 35 LYS CA . 15373 1 357 . 1 1 35 35 LYS CB C 13 32.09 0.30 . 1 . . . . 35 LYS CB . 15373 1 358 . 1 1 35 35 LYS CD C 13 29.15 0.30 . 1 . . . . 35 LYS CD . 15373 1 359 . 1 1 35 35 LYS CG C 13 25.06 0.30 . 1 . . . . 35 LYS CG . 15373 1 360 . 1 1 35 35 LYS N N 15 117.73 0.15 . 1 . . . . 35 LYS N . 15373 1 361 . 1 1 36 36 ARG H H 1 8.29 0.01 . 1 . . . . 36 ARG H . 15373 1 362 . 1 1 36 36 ARG HA H 1 4.26 0.01 . 1 . . . . 36 ARG HA . 15373 1 363 . 1 1 36 36 ARG HB2 H 1 1.87 0.01 . 2 . . . . 36 ARG HB2 . 15373 1 364 . 1 1 36 36 ARG HD3 H 1 3.32 0.01 . 2 . . . . 36 ARG HD3 . 15373 1 365 . 1 1 36 36 ARG HG2 H 1 1.70 0.01 . 2 . . . . 36 ARG HG2 . 15373 1 366 . 1 1 36 36 ARG CA C 13 59.05 0.30 . 1 . . . . 36 ARG CA . 15373 1 367 . 1 1 36 36 ARG N N 15 119.04 0.15 . 1 . . . . 36 ARG N . 15373 1 368 . 1 1 37 37 HIS H H 1 7.71 0.01 . 1 . . . . 37 HIS H . 15373 1 369 . 1 1 37 37 HIS HA H 1 3.97 0.01 . 1 . . . . 37 HIS HA . 15373 1 370 . 1 1 37 37 HIS HB2 H 1 2.62 0.01 . 2 . . . . 37 HIS HB2 . 15373 1 371 . 1 1 37 37 HIS HB3 H 1 2.46 0.01 . 2 . . . . 37 HIS HB3 . 15373 1 372 . 1 1 37 37 HIS HD2 H 1 6.41 0.01 . 1 . . . . 37 HIS HD2 . 15373 1 373 . 1 1 37 37 HIS HE1 H 1 7.22 0.01 . 1 . . . . 37 HIS HE1 . 15373 1 374 . 1 1 37 37 HIS C C 13 176.63 0.30 . 1 . . . . 37 HIS C . 15373 1 375 . 1 1 37 37 HIS CA C 13 59.05 0.30 . 1 . . . . 37 HIS CA . 15373 1 376 . 1 1 37 37 HIS CB C 13 27.40 0.30 . 1 . . . . 37 HIS CB . 15373 1 377 . 1 1 37 37 HIS CD2 C 13 125.76 0.3 . 1 . . . . 37 HIS CD2 . 15373 1 378 . 1 1 37 37 HIS CE1 C 13 139.82 0.3 . 1 . . . . 37 HIS CE1 . 15373 1 379 . 1 1 37 37 HIS N N 15 118.77 0.15 . 1 . . . . 37 HIS N . 15373 1 380 . 1 1 37 37 HIS ND1 N 15 173.82 0.15 . 1 . . . . 37 HIS ND1 . 15373 1 381 . 1 1 37 37 HIS NE2 N 15 215.24 0.15 . 1 . . . . 37 HIS NE2 . 15373 1 382 . 1 1 38 38 LEU H H 1 8.60 0.01 . 1 . . . . 38 LEU H . 15373 1 383 . 1 1 38 38 LEU HA H 1 3.64 0.01 . 1 . . . . 38 LEU HA . 15373 1 384 . 1 1 38 38 LEU HB2 H 1 1.75 0.01 . 2 . . . . 38 LEU HB2 . 15373 1 385 . 1 1 38 38 LEU HB3 H 1 1.26 0.01 . 2 . . . . 38 LEU HB3 . 15373 1 386 . 1 1 38 38 LEU HD11 H 1 0.19 0.01 . 2 . . . . 38 LEU HD1 . 15373 1 387 . 1 1 38 38 LEU HD12 H 1 0.19 0.01 . 2 . . . . 38 LEU HD1 . 15373 1 388 . 1 1 38 38 LEU HD13 H 1 0.19 0.01 . 2 . . . . 38 LEU HD1 . 15373 1 389 . 1 1 38 38 LEU HD21 H 1 0.51 0.01 . 2 . . . . 38 LEU HD2 . 15373 1 390 . 1 1 38 38 LEU HD22 H 1 0.51 0.01 . 2 . . . . 38 LEU HD2 . 15373 1 391 . 1 1 38 38 LEU HD23 H 1 0.51 0.01 . 2 . . . . 38 LEU HD2 . 15373 1 392 . 1 1 38 38 LEU C C 13 180.24 0.30 . 1 . . . . 38 LEU C . 15373 1 393 . 1 1 38 38 LEU CA C 13 58.46 0.30 . 1 . . . . 38 LEU CA . 15373 1 394 . 1 1 38 38 LEU CB C 13 41.47 0.30 . 1 . . . . 38 LEU CB . 15373 1 395 . 1 1 38 38 LEU CD1 C 13 23.30 0.30 . 2 . . . . 38 LEU CD1 . 15373 1 396 . 1 1 38 38 LEU CG C 13 25.06 0.30 . 1 . . . . 38 LEU CG . 15373 1 397 . 1 1 38 38 LEU N N 15 117.67 0.15 . 1 . . . . 38 LEU N . 15373 1 398 . 1 1 39 39 THR H H 1 7.55 0.01 . 1 . . . . 39 THR H . 15373 1 399 . 1 1 39 39 THR HA H 1 3.99 0.01 . 1 . . . . 39 THR HA . 15373 1 400 . 1 1 39 39 THR HB H 1 4.19 0.01 . 1 . . . . 39 THR HB . 15373 1 401 . 1 1 39 39 THR HG21 H 1 1.23 0.01 . 1 . . . . 39 THR HG2 . 15373 1 402 . 1 1 39 39 THR HG22 H 1 1.23 0.01 . 1 . . . . 39 THR HG2 . 15373 1 403 . 1 1 39 39 THR HG23 H 1 1.23 0.01 . 1 . . . . 39 THR HG2 . 15373 1 404 . 1 1 39 39 THR C C 13 176.75 0.30 . 1 . . . . 39 THR C . 15373 1 405 . 1 1 39 39 THR CA C 13 66.09 0.30 . 1 . . . . 39 THR CA . 15373 1 406 . 1 1 39 39 THR CB C 13 69.01 0.30 . 1 . . . . 39 THR CB . 15373 1 407 . 1 1 39 39 THR CG2 C 13 20.96 0.30 . 1 . . . . 39 THR CG2 . 15373 1 408 . 1 1 39 39 THR N N 15 112.93 0.15 . 1 . . . . 39 THR N . 15373 1 409 . 1 1 40 40 THR H H 1 8.21 0.01 . 1 . . . . 40 THR H . 15373 1 410 . 1 1 40 40 THR HA H 1 4.01 0.01 . 1 . . . . 40 THR HA . 15373 1 411 . 1 1 40 40 THR HG21 H 1 1.14 0.01 . 1 . . . . 40 THR HG2 . 15373 1 412 . 1 1 40 40 THR HG22 H 1 1.14 0.01 . 1 . . . . 40 THR HG2 . 15373 1 413 . 1 1 40 40 THR HG23 H 1 1.14 0.01 . 1 . . . . 40 THR HG2 . 15373 1 414 . 1 1 40 40 THR C C 13 176.33 0.30 . 1 . . . . 40 THR C . 15373 1 415 . 1 1 40 40 THR CA C 13 64.91 0.30 . 1 . . . . 40 THR CA . 15373 1 416 . 1 1 40 40 THR CB C 13 69.01 0.30 . 1 . . . . 40 THR CB . 15373 1 417 . 1 1 40 40 THR CG2 C 13 21.54 0.30 . 1 . . . . 40 THR CG2 . 15373 1 418 . 1 1 40 40 THR N N 15 113.31 0.15 . 1 . . . . 40 THR N . 15373 1 419 . 1 1 41 41 HIS H H 1 8.39 0.01 . 1 . . . . 41 HIS H . 15373 1 420 . 1 1 41 41 HIS HA H 1 4.32 0.01 . 1 . . . . 41 HIS HA . 15373 1 421 . 1 1 41 41 HIS HB2 H 1 2.00 0.01 . 2 . . . . 41 HIS HB2 . 15373 1 422 . 1 1 41 41 HIS HB3 H 1 1.97 0.01 . 2 . . . . 41 HIS HB3 . 15373 1 423 . 1 1 41 41 HIS HD2 H 1 6.37 0.01 . 1 . . . . 41 HIS HD2 . 15373 1 424 . 1 1 41 41 HIS HE1 H 1 7.70 0.01 . 1 . . . . 41 HIS HE1 . 15373 1 425 . 1 1 41 41 HIS C C 13 176.28 0.30 . 1 . . . . 41 HIS C . 15373 1 426 . 1 1 41 41 HIS CA C 13 57.88 0.30 . 1 . . . . 41 HIS CA . 15373 1 427 . 1 1 41 41 HIS CB C 13 30.92 0.30 . 1 . . . . 41 HIS CB . 15373 1 428 . 1 1 41 41 HIS CD2 C 13 118.54 0.3 . 1 . . . . 41 HIS CD2 . 15373 1 429 . 1 1 41 41 HIS CE1 C 13 139.24 0.3 . 1 . . . . 41 HIS CE1 . 15373 1 430 . 1 1 41 41 HIS N N 15 119.14 0.15 . 1 . . . . 41 HIS N . 15373 1 431 . 1 1 41 41 HIS ND1 N 15 229.02 0.15 . 1 . . . . 41 HIS ND1 . 15373 1 432 . 1 1 41 41 HIS NE2 N 15 177.27 0.15 . 1 . . . . 41 HIS NE2 . 15373 1 433 . 1 1 42 42 HIS H H 1 6.57 0.01 . 1 . . . . 42 HIS H . 15373 1 434 . 1 1 42 42 HIS HA H 1 4.99 0.01 . 1 . . . . 42 HIS HA . 15373 1 435 . 1 1 42 42 HIS HB2 H 1 3.41 0.01 . 2 . . . . 42 HIS HB2 . 15373 1 436 . 1 1 42 42 HIS HB3 H 1 3.02 0.01 . 2 . . . . 42 HIS HB3 . 15373 1 437 . 1 1 42 42 HIS HD2 H 1 6.27 0.01 . 1 . . . . 42 HIS HD2 . 15373 1 438 . 1 1 42 42 HIS HE1 H 1 8.13 0.01 . 1 . . . . 42 HIS HE1 . 15373 1 439 . 1 1 42 42 HIS C C 13 173.36 0.30 . 1 . . . . 42 HIS C . 15373 1 440 . 1 1 42 42 HIS CA C 13 53.78 0.30 . 1 . . . . 42 HIS CA . 15373 1 441 . 1 1 42 42 HIS CB C 13 29.75 0.30 . 1 . . . . 42 HIS CB . 15373 1 442 . 1 1 42 42 HIS CD2 C 13 127.69 0.3 . 1 . . . . 42 HIS CD2 . 15373 1 443 . 1 1 42 42 HIS CE1 C 13 140.65 0.3 . 1 . . . . 42 HIS CE1 . 15373 1 444 . 1 1 42 42 HIS N N 15 111.40 0.15 . 1 . . . . 42 HIS N . 15373 1 445 . 1 1 42 42 HIS ND1 N 15 173.08 0.15 . 2 . . . . 42 HIS ND1 . 15373 1 446 . 1 1 42 42 HIS NE2 N 15 214.54 0.15 . 2 . . . . 42 HIS NE2 . 15373 1 447 . 1 1 43 43 SER H H 1 7.36 0.01 . 1 . . . . 43 SER H . 15373 1 448 . 1 1 43 43 SER HA H 1 4.17 0.01 . 1 . . . . 43 SER HA . 15373 1 449 . 1 1 43 43 SER HB2 H 1 4.01 0.01 . 2 . . . . 43 SER HB2 . 15373 1 450 . 1 1 43 43 SER HB3 H 1 3.84 0.01 . 2 . . . . 43 SER HB3 . 15373 1 451 . 1 1 43 43 SER C C 13 173.39 0.30 . 1 . . . . 43 SER C . 15373 1 452 . 1 1 43 43 SER CA C 13 58.46 0.30 . 1 . . . . 43 SER CA . 15373 1 453 . 1 1 43 43 SER CB C 13 61.39 0.30 . 1 . . . . 43 SER CB . 15373 1 454 . 1 1 43 43 SER N N 15 113.94 0.15 . 1 . . . . 43 SER N . 15373 1 455 . 1 1 44 44 MET H H 1 7.70 0.01 . 1 . . . . 44 MET H . 15373 1 456 . 1 1 44 44 MET HA H 1 4.96 0.01 . 1 . . . . 44 MET HA . 15373 1 457 . 1 1 44 44 MET HB2 H 1 2.01 0.01 . 2 . . . . 44 MET HB2 . 15373 1 458 . 1 1 44 44 MET HB3 H 1 1.69 0.01 . 2 . . . . 44 MET HB3 . 15373 1 459 . 1 1 44 44 MET HE1 H 1 2.00 0.01 . 1 . . . . 44 MET HE . 15373 1 460 . 1 1 44 44 MET HE2 H 1 2.00 0.01 . 1 . . . . 44 MET HE . 15373 1 461 . 1 1 44 44 MET HE3 H 1 2.00 0.01 . 1 . . . . 44 MET HE . 15373 1 462 . 1 1 44 44 MET HG2 H 1 2.51 0.01 . 2 . . . . 44 MET HG2 . 15373 1 463 . 1 1 44 44 MET HG3 H 1 2.44 0.01 . 2 . . . . 44 MET HG3 . 15373 1 464 . 1 1 44 44 MET C C 13 174.95 0.30 . 1 . . . . 44 MET C . 15373 1 465 . 1 1 44 44 MET CA C 13 53.78 0.30 . 1 . . . . 44 MET CA . 15373 1 466 . 1 1 44 44 MET CB C 13 38.54 0.30 . 1 . . . . 44 MET CB . 15373 1 467 . 1 1 44 44 MET CE C 13 16.85 0.30 . 1 . . . . 44 MET CE . 15373 1 468 . 1 1 44 44 MET CG C 13 31.50 0.30 . 1 . . . . 44 MET CG . 15373 1 469 . 1 1 44 44 MET N N 15 117.75 0.15 . 1 . . . . 44 MET N . 15373 1 470 . 1 1 45 45 THR H H 1 8.42 0.01 . 1 . . . . 45 THR H . 15373 1 471 . 1 1 45 45 THR HA H 1 4.65 0.01 . 1 . . . . 45 THR HA . 15373 1 472 . 1 1 45 45 THR HB H 1 4.68 0.01 . 1 . . . . 45 THR HB . 15373 1 473 . 1 1 45 45 THR HG21 H 1 1.25 0.01 . 1 . . . . 45 THR HG2 . 15373 1 474 . 1 1 45 45 THR HG22 H 1 1.25 0.01 . 1 . . . . 45 THR HG2 . 15373 1 475 . 1 1 45 45 THR HG23 H 1 1.25 0.01 . 1 . . . . 45 THR HG2 . 15373 1 476 . 1 1 45 45 THR CA C 13 59.05 0.30 . 1 . . . . 45 THR CA . 15373 1 477 . 1 1 45 45 THR CB C 13 69.01 0.30 . 1 . . . . 45 THR CB . 15373 1 478 . 1 1 45 45 THR CG2 C 13 21.54 0.30 . 1 . . . . 45 THR CG2 . 15373 1 479 . 1 1 45 45 THR N N 15 111.64 0.15 . 1 . . . . 45 THR N . 15373 1 480 . 1 1 46 46 PRO HA H 1 3.97 0.01 . 1 . . . . 46 PRO HA . 15373 1 481 . 1 1 46 46 PRO HB2 H 1 2.46 0.01 . 2 . . . . 46 PRO HB2 . 15373 1 482 . 1 1 46 46 PRO HB3 H 1 1.96 0.01 . 2 . . . . 46 PRO HB3 . 15373 1 483 . 1 1 46 46 PRO HD2 H 1 4.03 0.01 . 2 . . . . 46 PRO HD2 . 15373 1 484 . 1 1 46 46 PRO HD3 H 1 3.87 0.01 . 2 . . . . 46 PRO HD3 . 15373 1 485 . 1 1 46 46 PRO HG2 H 1 2.27 0.01 . 2 . . . . 46 PRO HG2 . 15373 1 486 . 1 1 46 46 PRO HG3 H 1 1.75 0.01 . 2 . . . . 46 PRO HG3 . 15373 1 487 . 1 1 46 46 PRO CA C 13 66.08 0.30 . 1 . . . . 46 PRO CA . 15373 1 488 . 1 1 46 46 PRO CB C 13 32.68 0.30 . 1 . . . . 46 PRO CB . 15373 1 489 . 1 1 46 46 PRO CD C 13 50.26 0.30 . 1 . . . . 46 PRO CD . 15373 1 490 . 1 1 46 46 PRO CG C 13 28.57 0.30 . 1 . . . . 46 PRO CG . 15373 1 491 . 1 1 47 47 GLU H H 1 8.79 0.01 . 1 . . . . 47 GLU H . 15373 1 492 . 1 1 47 47 GLU HA H 1 3.97 0.01 . 1 . . . . 47 GLU HA . 15373 1 493 . 1 1 47 47 GLU HB2 H 1 2.02 0.01 . 2 . . . . 47 GLU HB2 . 15373 1 494 . 1 1 47 47 GLU HB3 H 1 1.93 0.01 . 2 . . . . 47 GLU HB3 . 15373 1 495 . 1 1 47 47 GLU HG2 H 1 2.48 0.01 . 2 . . . . 47 GLU HG2 . 15373 1 496 . 1 1 47 47 GLU HG3 H 1 2.25 0.01 . 2 . . . . 47 GLU HG3 . 15373 1 497 . 1 1 47 47 GLU C C 13 179.61 0.30 . 1 . . . . 47 GLU C . 15373 1 498 . 1 1 47 47 GLU CA C 13 60.81 0.30 . 1 . . . . 47 GLU CA . 15373 1 499 . 1 1 47 47 GLU CB C 13 28.57 0.30 . 1 . . . . 47 GLU CB . 15373 1 500 . 1 1 47 47 GLU CG C 13 37.36 0.30 . 1 . . . . 47 GLU CG . 15373 1 501 . 1 1 47 47 GLU N N 15 115.84 0.15 . 1 . . . . 47 GLU N . 15373 1 502 . 1 1 48 48 GLU H H 1 7.83 0.01 . 1 . . . . 48 GLU H . 15373 1 503 . 1 1 48 48 GLU HA H 1 3.95 0.01 . 1 . . . . 48 GLU HA . 15373 1 504 . 1 1 48 48 GLU HB2 H 1 2.27 0.01 . 2 . . . . 48 GLU HB2 . 15373 1 505 . 1 1 48 48 GLU HB3 H 1 1.91 0.01 . 2 . . . . 48 GLU HB3 . 15373 1 506 . 1 1 48 48 GLU HG2 H 1 2.28 0.01 . 2 . . . . 48 GLU HG2 . 15373 1 507 . 1 1 48 48 GLU C C 13 179.38 0.30 . 1 . . . . 48 GLU C . 15373 1 508 . 1 1 48 48 GLU CA C 13 59.05 0.30 . 1 . . . . 48 GLU CA . 15373 1 509 . 1 1 48 48 GLU CB C 13 30.33 0.30 . 1 . . . . 48 GLU CB . 15373 1 510 . 1 1 48 48 GLU CG C 13 36.78 0.30 . 1 . . . . 48 GLU CG . 15373 1 511 . 1 1 48 48 GLU N N 15 120.94 0.15 . 1 . . . . 48 GLU N . 15373 1 512 . 1 1 49 49 TYR H H 1 8.24 0.01 . 1 . . . . 49 TYR H . 15373 1 513 . 1 1 49 49 TYR HA H 1 4.16 0.01 . 1 . . . . 49 TYR HA . 15373 1 514 . 1 1 49 49 TYR HB2 H 1 3.13 0.01 . 2 . . . . 49 TYR HB2 . 15373 1 515 . 1 1 49 49 TYR HB3 H 1 2.92 0.01 . 2 . . . . 49 TYR HB3 . 15373 1 516 . 1 1 49 49 TYR HD1 H 1 6.42 0.01 . 3 . . . . 49 TYR HD1 . 15373 1 517 . 1 1 49 49 TYR HE1 H 1 7.13 0.01 . 3 . . . . 49 TYR HE1 . 15373 1 518 . 1 1 49 49 TYR HH H 1 10.99 0.01 . 1 . . . . 49 TYR HH . 15373 1 519 . 1 1 49 49 TYR C C 13 176.72 0.30 . 1 . . . . 49 TYR C . 15373 1 520 . 1 1 49 49 TYR CA C 13 61.98 0.30 . 1 . . . . 49 TYR CA . 15373 1 521 . 1 1 49 49 TYR CB C 13 39.71 0.30 . 1 . . . . 49 TYR CB . 15373 1 522 . 1 1 49 49 TYR CD2 C 13 132.16 0.3 . 3 . . . . 49 TYR CD2 . 15373 1 523 . 1 1 49 49 TYR CE1 C 13 118.68 0.3 . 3 . . . . 49 TYR CE1 . 15373 1 524 . 1 1 49 49 TYR N N 15 122.11 0.15 . 1 . . . . 49 TYR N . 15373 1 525 . 1 1 50 50 ARG H H 1 8.66 0.01 . 1 . . . . 50 ARG H . 15373 1 526 . 1 1 50 50 ARG HA H 1 3.69 0.01 . 1 . . . . 50 ARG HA . 15373 1 527 . 1 1 50 50 ARG HB2 H 1 1.87 0.01 . 2 . . . . 50 ARG HB2 . 15373 1 528 . 1 1 50 50 ARG HB3 H 1 1.72 0.01 . 2 . . . . 50 ARG HB3 . 15373 1 529 . 1 1 50 50 ARG HD2 H 1 3.24 0.01 . 2 . . . . 50 ARG HD2 . 15373 1 530 . 1 1 50 50 ARG HD3 H 1 3.49 0.01 . 2 . . . . 50 ARG HD3 . 15373 1 531 . 1 1 50 50 ARG HE H 1 7.47 0.01 . 1 . . . . 50 ARG HE . 15373 1 532 . 1 1 50 50 ARG HG2 H 1 2.12 0.01 . 2 . . . . 50 ARG HG2 . 15373 1 533 . 1 1 50 50 ARG HG3 H 1 1.23 0.01 . 2 . . . . 50 ARG HG3 . 15373 1 534 . 1 1 50 50 ARG C C 13 178.76 0.30 . 1 . . . . 50 ARG C . 15373 1 535 . 1 1 50 50 ARG CA C 13 60.22 0.30 . 1 . . . . 50 ARG CA . 15373 1 536 . 1 1 50 50 ARG CB C 13 29.74 0.30 . 1 . . . . 50 ARG CB . 15373 1 537 . 1 1 50 50 ARG CD C 13 43.22 0.30 . 1 . . . . 50 ARG CD . 15373 1 538 . 1 1 50 50 ARG CG C 13 28.57 0.30 . 1 . . . . 50 ARG CG . 15373 1 539 . 1 1 50 50 ARG N N 15 116.17 0.15 . 1 . . . . 50 ARG N . 15373 1 540 . 1 1 51 51 GLU H H 1 7.73 0.01 . 1 . . . . 51 GLU H . 15373 1 541 . 1 1 51 51 GLU HA H 1 3.99 0.01 . 1 . . . . 51 GLU HA . 15373 1 542 . 1 1 51 51 GLU HB2 H 1 1.91 0.01 . 2 . . . . 51 GLU HB2 . 15373 1 543 . 1 1 51 51 GLU HG2 H 1 2.22 0.01 . 2 . . . . 51 GLU HG2 . 15373 1 544 . 1 1 51 51 GLU HG3 H 1 2.08 0.01 . 2 . . . . 51 GLU HG3 . 15373 1 545 . 1 1 51 51 GLU C C 13 179.23 0.30 . 1 . . . . 51 GLU C . 15373 1 546 . 1 1 51 51 GLU CA C 13 59.05 0.30 . 1 . . . . 51 GLU CA . 15373 1 547 . 1 1 51 51 GLU CB C 13 29.74 0.30 . 1 . . . . 51 GLU CB . 15373 1 548 . 1 1 51 51 GLU CG C 13 36.19 0.30 . 1 . . . . 51 GLU CG . 15373 1 549 . 1 1 51 51 GLU N N 15 116.97 0.15 . 1 . . . . 51 GLU N . 15373 1 550 . 1 1 52 52 LYS H H 1 7.96 0.01 . 1 . . . . 52 LYS H . 15373 1 551 . 1 1 52 52 LYS HA H 1 3.61 0.01 . 1 . . . . 52 LYS HA . 15373 1 552 . 1 1 52 52 LYS HB2 H 1 1.58 0.01 . 2 . . . . 52 LYS HB2 . 15373 1 553 . 1 1 52 52 LYS HB3 H 1 1.34 0.01 . 2 . . . . 52 LYS HB3 . 15373 1 554 . 1 1 52 52 LYS HD2 H 1 1.24 0.01 . 2 . . . . 52 LYS HD2 . 15373 1 555 . 1 1 52 52 LYS HD3 H 1 1.59 0.01 . 2 . . . . 52 LYS HD3 . 15373 1 556 . 1 1 52 52 LYS HE2 H 1 2.48 0.01 . 2 . . . . 52 LYS HE2 . 15373 1 557 . 1 1 52 52 LYS HE3 H 1 1.88 0.01 . 2 . . . . 52 LYS HE3 . 15373 1 558 . 1 1 52 52 LYS HG2 H 1 0.51 0.01 . 2 . . . . 52 LYS HG2 . 15373 1 559 . 1 1 52 52 LYS HG3 H 1 -0.32 0.01 . 2 . . . . 52 LYS HG3 . 15373 1 560 . 1 1 52 52 LYS C C 13 177.90 0.30 . 1 . . . . 52 LYS C . 15373 1 561 . 1 1 52 52 LYS CA C 13 59.05 0.30 . 1 . . . . 52 LYS CA . 15373 1 562 . 1 1 52 52 LYS CB C 13 32.68 0.30 . 1 . . . . 52 LYS CB . 15373 1 563 . 1 1 52 52 LYS CD C 13 30.33 0.30 . 1 . . . . 52 LYS CD . 15373 1 564 . 1 1 52 52 LYS CE C 13 41.47 0.30 . 1 . . . . 52 LYS CE . 15373 1 565 . 1 1 52 52 LYS CG C 13 24.47 0.30 . 1 . . . . 52 LYS CG . 15373 1 566 . 1 1 52 52 LYS N N 15 120.50 0.15 . 1 . . . . 52 LYS N . 15373 1 567 . 1 1 53 53 TRP H H 1 7.13 0.01 . 1 . . . . 53 TRP H . 15373 1 568 . 1 1 53 53 TRP HA H 1 4.42 0.01 . 1 . . . . 53 TRP HA . 15373 1 569 . 1 1 53 53 TRP HB2 H 1 3.13 0.01 . 2 . . . . 53 TRP HB2 . 15373 1 570 . 1 1 53 53 TRP HB3 H 1 2.14 0.01 . 2 . . . . 53 TRP HB3 . 15373 1 571 . 1 1 53 53 TRP HD1 H 1 6.11 0.01 . 1 . . . . 53 TRP HD1 . 15373 1 572 . 1 1 53 53 TRP HE1 H 1 10.20 0.01 . 2 . . . . 53 TRP HE1 . 15373 1 573 . 1 1 53 53 TRP HE3 H 1 7.45 0.01 . 2 . . . . 53 TRP HE3 . 15373 1 574 . 1 1 53 53 TRP HH2 H 1 6.79 0.01 . 1 . . . . 53 TRP HH2 . 15373 1 575 . 1 1 53 53 TRP HZ2 H 1 6.98 0.01 . 1 . . . . 53 TRP HZ2 . 15373 1 576 . 1 1 53 53 TRP HZ3 H 1 6.64 0.01 . 1 . . . . 53 TRP HZ3 . 15373 1 577 . 1 1 53 53 TRP C C 13 173.68 0.30 . 1 . . . . 53 TRP C . 15373 1 578 . 1 1 53 53 TRP CA C 13 55.53 0.30 . 1 . . . . 53 TRP CA . 15373 1 579 . 1 1 53 53 TRP CB C 13 29.15 0.30 . 1 . . . . 53 TRP CB . 15373 1 580 . 1 1 53 53 TRP CD1 C 13 128.68 0.3 . 1 . . . . 53 TRP CD1 . 15373 1 581 . 1 1 53 53 TRP CE3 C 13 120.48 0.3 . 1 . . . . 53 TRP CE3 . 15373 1 582 . 1 1 53 53 TRP CH2 C 13 118.13 0.3 . 1 . . . . 53 TRP CH2 . 15373 1 583 . 1 1 53 53 TRP CZ2 C 13 114.63 0.3 . 1 . . . . 53 TRP CZ2 . 15373 1 584 . 1 1 53 53 TRP CZ3 C 13 123.41 0.3 . 1 . . . . 53 TRP CZ3 . 15373 1 585 . 1 1 53 53 TRP N N 15 115.32 0.15 . 1 . . . . 53 TRP N . 15373 1 586 . 1 1 53 53 TRP NE1 N 15 127.80 0.15 . 1 . . . . 53 TRP NE1 . 15373 1 587 . 1 1 54 54 ASP H H 1 7.52 0.01 . 1 . . . . 54 ASP H . 15373 1 588 . 1 1 54 54 ASP HA H 1 4.21 0.01 . 1 . . . . 54 ASP HA . 15373 1 589 . 1 1 54 54 ASP HB2 H 1 3.01 0.01 . 2 . . . . 54 ASP HB2 . 15373 1 590 . 1 1 54 54 ASP HB3 H 1 2.39 0.01 . 2 . . . . 54 ASP HB3 . 15373 1 591 . 1 1 54 54 ASP C C 13 175.09 0.30 . 1 . . . . 54 ASP C . 15373 1 592 . 1 1 54 54 ASP CA C 13 54.95 0.30 . 1 . . . . 54 ASP CA . 15373 1 593 . 1 1 54 54 ASP CB C 13 39.12 0.30 . 1 . . . . 54 ASP CB . 15373 1 594 . 1 1 54 54 ASP N N 15 119.26 0.15 . 1 . . . . 54 ASP N . 15373 1 595 . 1 1 55 55 LEU H H 1 8.54 0.01 . 1 . . . . 55 LEU H . 15373 1 596 . 1 1 55 55 LEU HA H 1 4.56 0.01 . 1 . . . . 55 LEU HA . 15373 1 597 . 1 1 55 55 LEU HB2 H 1 1.23 0.01 . 2 . . . . 55 LEU HB2 . 15373 1 598 . 1 1 55 55 LEU HB3 H 1 1.03 0.01 . 2 . . . . 55 LEU HB3 . 15373 1 599 . 1 1 55 55 LEU HD11 H 1 -0.20 0.01 . 2 . . . . 55 LEU HD1 . 15373 1 600 . 1 1 55 55 LEU HD12 H 1 -0.20 0.01 . 2 . . . . 55 LEU HD1 . 15373 1 601 . 1 1 55 55 LEU HD13 H 1 -0.20 0.01 . 2 . . . . 55 LEU HD1 . 15373 1 602 . 1 1 55 55 LEU HD21 H 1 0.39 0.01 . 2 . . . . 55 LEU HD2 . 15373 1 603 . 1 1 55 55 LEU HD22 H 1 0.39 0.01 . 2 . . . . 55 LEU HD2 . 15373 1 604 . 1 1 55 55 LEU HD23 H 1 0.39 0.01 . 2 . . . . 55 LEU HD2 . 15373 1 605 . 1 1 55 55 LEU HG H 1 1.24 0.01 . 1 . . . . 55 LEU HG . 15373 1 606 . 1 1 55 55 LEU CA C 13 52.02 0.30 . 1 . . . . 55 LEU CA . 15373 1 607 . 1 1 55 55 LEU CB C 13 40.29 0.30 . 1 . . . . 55 LEU CB . 15373 1 608 . 1 1 55 55 LEU CD1 C 13 24.47 0.30 . 2 . . . . 55 LEU CD1 . 15373 1 609 . 1 1 55 55 LEU CD2 C 13 21.54 0.30 . 2 . . . . 55 LEU CD2 . 15373 1 610 . 1 1 55 55 LEU CG C 13 25.64 0.30 . 1 . . . . 55 LEU CG . 15373 1 611 . 1 1 55 55 LEU N N 15 118.11 0.15 . 1 . . . . 55 LEU N . 15373 1 612 . 1 1 56 56 PRO HA H 1 4.50 0.01 . 1 . . . . 56 PRO HA . 15373 1 613 . 1 1 56 56 PRO HB2 H 1 2.37 0.01 . 2 . . . . 56 PRO HB2 . 15373 1 614 . 1 1 56 56 PRO HB3 H 1 2.09 0.01 . 2 . . . . 56 PRO HB3 . 15373 1 615 . 1 1 56 56 PRO HD2 H 1 3.88 0.01 . 2 . . . . 56 PRO HD2 . 15373 1 616 . 1 1 56 56 PRO HD3 H 1 3.62 0.01 . 2 . . . . 56 PRO HD3 . 15373 1 617 . 1 1 56 56 PRO HG2 H 1 2.12 0.01 . 2 . . . . 56 PRO HG2 . 15373 1 618 . 1 1 56 56 PRO C C 13 177.80 0.30 . 1 . . . . 56 PRO C . 15373 1 619 . 1 1 56 56 PRO CA C 13 62.57 0.30 . 1 . . . . 56 PRO CA . 15373 1 620 . 1 1 56 56 PRO CB C 13 32.68 0.30 . 1 . . . . 56 PRO CB . 15373 1 621 . 1 1 56 56 PRO CD C 13 50.26 0.30 . 1 . . . . 56 PRO CD . 15373 1 622 . 1 1 56 56 PRO CG C 13 27.99 0.30 . 1 . . . . 56 PRO CG . 15373 1 623 . 1 1 57 57 VAL H H 1 8.43 0.01 . 1 . . . . 57 VAL H . 15373 1 624 . 1 1 57 57 VAL HA H 1 3.74 0.01 . 1 . . . . 57 VAL HA . 15373 1 625 . 1 1 57 57 VAL HB H 1 2.10 0.01 . 1 . . . . 57 VAL HB . 15373 1 626 . 1 1 57 57 VAL HG21 H 1 0.96 0.01 . 1 . . . . 57 VAL HG2 . 15373 1 627 . 1 1 57 57 VAL HG22 H 1 0.96 0.01 . 1 . . . . 57 VAL HG2 . 15373 1 628 . 1 1 57 57 VAL HG23 H 1 0.96 0.01 . 1 . . . . 57 VAL HG2 . 15373 1 629 . 1 1 57 57 VAL C C 13 175.55 0.30 . 1 . . . . 57 VAL C . 15373 1 630 . 1 1 57 57 VAL CA C 13 64.32 0.30 . 1 . . . . 57 VAL CA . 15373 1 631 . 1 1 57 57 VAL CB C 13 31.50 0.30 . 1 . . . . 57 VAL CB . 15373 1 632 . 1 1 57 57 VAL CG2 C 13 20.37 0.30 . 2 . . . . 57 VAL CG2 . 15373 1 633 . 1 1 57 57 VAL N N 15 117.95 0.15 . 1 . . . . 57 VAL N . 15373 1 634 . 1 1 58 58 ASP H H 1 7.99 0.01 . 1 . . . . 58 ASP H . 15373 1 635 . 1 1 58 58 ASP HA H 1 4.48 0.01 . 1 . . . . 58 ASP HA . 15373 1 636 . 1 1 58 58 ASP HB2 H 1 2.80 0.01 . 2 . . . . 58 ASP HB2 . 15373 1 637 . 1 1 58 58 ASP HB3 H 1 2.43 0.01 . 2 . . . . 58 ASP HB3 . 15373 1 638 . 1 1 58 58 ASP C C 13 176.15 0.30 . 1 . . . . 58 ASP C . 15373 1 639 . 1 1 58 58 ASP CA C 13 52.02 0.30 . 1 . . . . 58 ASP CA . 15373 1 640 . 1 1 58 58 ASP CB C 13 39.71 0.30 . 1 . . . . 58 ASP CB . 15373 1 641 . 1 1 58 58 ASP N N 15 115.79 0.15 . 1 . . . . 58 ASP N . 15373 1 642 . 1 1 59 59 TYR H H 1 7.86 0.01 . 1 . . . . 59 TYR H . 15373 1 643 . 1 1 59 59 TYR HA H 1 4.45 0.01 . 1 . . . . 59 TYR HA . 15373 1 644 . 1 1 59 59 TYR HB2 H 1 3.01 0.01 . 2 . . . . 59 TYR HB2 . 15373 1 645 . 1 1 59 59 TYR HB3 H 1 2.64 0.01 . 2 . . . . 59 TYR HB3 . 15373 1 646 . 1 1 59 59 TYR HD2 H 1 6.99 0.01 . 3 . . . . 59 TYR HD2 . 15373 1 647 . 1 1 59 59 TYR HE2 H 1 6.73 0.01 . 1 . . . . 59 TYR HE2 . 15373 1 648 . 1 1 59 59 TYR CA C 13 56.70 0.30 . 1 . . . . 59 TYR CA . 15373 1 649 . 1 1 59 59 TYR CB C 13 39.71 0.30 . 1 . . . . 59 TYR CB . 15373 1 650 . 1 1 59 59 TYR CD2 C 13 132.77 0.3 . 3 . . . . 59 TYR CD2 . 15373 1 651 . 1 1 59 59 TYR CE1 C 13 117.76 0.3 . 1 . . . . 59 TYR CE1 . 15373 1 652 . 1 1 59 59 TYR CE2 C 13 117.76 0.30 . 1 . . . . 59 TYR CE2 . 15373 1 653 . 1 1 59 59 TYR N N 15 125.21 0.15 . 1 . . . . 59 TYR N . 15373 1 654 . 1 1 60 60 PRO HA H 1 4.29 0.01 . 1 . . . . 60 PRO HA . 15373 1 655 . 1 1 60 60 PRO HB2 H 1 2.07 0.01 . 2 . . . . 60 PRO HB2 . 15373 1 656 . 1 1 60 60 PRO HB3 H 1 1.90 0.01 . 2 . . . . 60 PRO HB3 . 15373 1 657 . 1 1 60 60 PRO HD2 H 1 3.47 0.01 . 2 . . . . 60 PRO HD2 . 15373 1 658 . 1 1 60 60 PRO HD3 H 1 2.37 0.01 . 2 . . . . 60 PRO HD3 . 15373 1 659 . 1 1 60 60 PRO HG3 H 1 1.59 0.01 . 2 . . . . 60 PRO HG3 . 15373 1 660 . 1 1 60 60 PRO C C 13 174.09 0.30 . 1 . . . . 60 PRO C . 15373 1 661 . 1 1 60 60 PRO CA C 13 63.15 0.30 . 1 . . . . 60 PRO CA . 15373 1 662 . 1 1 60 60 PRO CB C 13 32.68 0.30 . 1 . . . . 60 PRO CB . 15373 1 663 . 1 1 60 60 PRO CD C 13 50.26 0.30 . 1 . . . . 60 PRO CD . 15373 1 664 . 1 1 60 60 PRO CG C 13 27.40 0.30 . 1 . . . . 60 PRO CG . 15373 1 665 . 1 1 61 61 MET H H 1 8.06 0.01 . 1 . . . . 61 MET H . 15373 1 666 . 1 1 61 61 MET HA H 1 4.93 0.01 . 1 . . . . 61 MET HA . 15373 1 667 . 1 1 61 61 MET HB2 H 1 1.94 0.01 . 2 . . . . 61 MET HB2 . 15373 1 668 . 1 1 61 61 MET HE1 H 1 2.10 0.01 . 1 . . . . 61 MET HE . 15373 1 669 . 1 1 61 61 MET HE2 H 1 2.10 0.01 . 1 . . . . 61 MET HE . 15373 1 670 . 1 1 61 61 MET HE3 H 1 2.10 0.01 . 1 . . . . 61 MET HE . 15373 1 671 . 1 1 61 61 MET HG2 H 1 2.98 0.01 . 2 . . . . 61 MET HG2 . 15373 1 672 . 1 1 61 61 MET HG3 H 1 2.36 0.01 . 2 . . . . 61 MET HG3 . 15373 1 673 . 1 1 61 61 MET C C 13 176.44 0.30 . 1 . . . . 61 MET C . 15373 1 674 . 1 1 61 61 MET CA C 13 53.19 0.30 . 1 . . . . 61 MET CA . 15373 1 675 . 1 1 61 61 MET CB C 13 35.61 0.30 . 1 . . . . 61 MET CB . 15373 1 676 . 1 1 61 61 MET CE C 13 19.20 0.30 . 1 . . . . 61 MET CE . 15373 1 677 . 1 1 61 61 MET CG C 13 33.85 0.30 . 1 . . . . 61 MET CG . 15373 1 678 . 1 1 61 61 MET N N 15 111.50 0.15 . 1 . . . . 61 MET N . 15373 1 679 . 1 1 62 62 VAL H H 1 7.44 0.01 . 1 . . . . 62 VAL H . 15373 1 680 . 1 1 62 62 VAL HA H 1 4.60 0.01 . 1 . . . . 62 VAL HA . 15373 1 681 . 1 1 62 62 VAL HB H 1 1.92 0.01 . 1 . . . . 62 VAL HB . 15373 1 682 . 1 1 62 62 VAL HG11 H 1 1.00 0.01 . 2 . . . . 62 VAL HG1 . 15373 1 683 . 1 1 62 62 VAL HG12 H 1 1.00 0.01 . 2 . . . . 62 VAL HG1 . 15373 1 684 . 1 1 62 62 VAL HG13 H 1 1.00 0.01 . 2 . . . . 62 VAL HG1 . 15373 1 685 . 1 1 62 62 VAL HG21 H 1 0.88 0.01 . 2 . . . . 62 VAL HG2 . 15373 1 686 . 1 1 62 62 VAL HG22 H 1 0.88 0.01 . 2 . . . . 62 VAL HG2 . 15373 1 687 . 1 1 62 62 VAL HG23 H 1 0.88 0.01 . 2 . . . . 62 VAL HG2 . 15373 1 688 . 1 1 62 62 VAL C C 13 174.46 0.30 . 1 . . . . 62 VAL C . 15373 1 689 . 1 1 62 62 VAL CA C 13 60.22 0.30 . 1 . . . . 62 VAL CA . 15373 1 690 . 1 1 62 62 VAL CB C 13 35.02 0.30 . 1 . . . . 62 VAL CB . 15373 1 691 . 1 1 62 62 VAL CG1 C 13 20.95 0.30 . 2 . . . . 62 VAL CG1 . 15373 1 692 . 1 1 62 62 VAL CG2 C 13 20.95 0.30 . 2 . . . . 62 VAL CG2 . 15373 1 693 . 1 1 62 62 VAL N N 15 118.91 0.15 . 1 . . . . 62 VAL N . 15373 1 694 . 1 1 63 63 ALA H H 1 8.61 0.01 . 1 . . . . 63 ALA H . 15373 1 695 . 1 1 63 63 ALA HA H 1 4.15 0.01 . 1 . . . . 63 ALA HA . 15373 1 696 . 1 1 63 63 ALA HB1 H 1 1.32 0.01 . 1 . . . . 63 ALA HB . 15373 1 697 . 1 1 63 63 ALA HB2 H 1 1.32 0.01 . 1 . . . . 63 ALA HB . 15373 1 698 . 1 1 63 63 ALA HB3 H 1 1.32 0.01 . 1 . . . . 63 ALA HB . 15373 1 699 . 1 1 63 63 ALA CA C 13 50.84 0.30 . 1 . . . . 63 ALA CA . 15373 1 700 . 1 1 63 63 ALA CB C 13 16.85 0.30 . 1 . . . . 63 ALA CB . 15373 1 701 . 1 1 63 63 ALA N N 15 129.78 0.15 . 1 . . . . 63 ALA N . 15373 1 702 . 1 1 64 64 PRO HA H 1 4.14 0.01 . 1 . . . . 64 PRO HA . 15373 1 703 . 1 1 64 64 PRO HB2 H 1 2.20 0.01 . 2 . . . . 64 PRO HB2 . 15373 1 704 . 1 1 64 64 PRO HB3 H 1 1.97 0.01 . 2 . . . . 64 PRO HB3 . 15373 1 705 . 1 1 64 64 PRO HD2 H 1 3.99 0.01 . 2 . . . . 64 PRO HD2 . 15373 1 706 . 1 1 64 64 PRO HD3 H 1 3.45 0.01 . 2 . . . . 64 PRO HD3 . 15373 1 707 . 1 1 64 64 PRO HG2 H 1 2.05 0.01 . 2 . . . . 64 PRO HG2 . 15373 1 708 . 1 1 64 64 PRO HG3 H 1 1.87 0.01 . 2 . . . . 64 PRO HG3 . 15373 1 709 . 1 1 64 64 PRO C C 13 178.21 0.30 . 1 . . . . 64 PRO C . 15373 1 710 . 1 1 64 64 PRO CA C 13 66.08 0.30 . 1 . . . . 64 PRO CA . 15373 1 711 . 1 1 64 64 PRO CB C 13 32.09 0.30 . 1 . . . . 64 PRO CB . 15373 1 712 . 1 1 64 64 PRO CD C 13 50.26 0.30 . 1 . . . . 64 PRO CD . 15373 1 713 . 1 1 64 64 PRO CG C 13 27.40 0.30 . 1 . . . . 64 PRO CG . 15373 1 714 . 1 1 65 65 ALA H H 1 8.59 0.01 . 1 . . . . 65 ALA H . 15373 1 715 . 1 1 65 65 ALA HA H 1 3.99 0.01 . 1 . . . . 65 ALA HA . 15373 1 716 . 1 1 65 65 ALA HB1 H 1 0.96 0.01 . 1 . . . . 65 ALA HB . 15373 1 717 . 1 1 65 65 ALA HB2 H 1 0.96 0.01 . 1 . . . . 65 ALA HB . 15373 1 718 . 1 1 65 65 ALA HB3 H 1 0.96 0.01 . 1 . . . . 65 ALA HB . 15373 1 719 . 1 1 65 65 ALA C C 13 178.76 0.30 . 1 . . . . 65 ALA C . 15373 1 720 . 1 1 65 65 ALA CA C 13 53.77 0.30 . 1 . . . . 65 ALA CA . 15373 1 721 . 1 1 65 65 ALA CB C 13 18.02 0.30 . 1 . . . . 65 ALA CB . 15373 1 722 . 1 1 65 65 ALA N N 15 118.04 0.15 . 1 . . . . 65 ALA N . 15373 1 723 . 1 1 66 66 TYR H H 1 7.81 0.01 . 1 . . . . 66 TYR H . 15373 1 724 . 1 1 66 66 TYR HA H 1 4.48 0.01 . 1 . . . . 66 TYR HA . 15373 1 725 . 1 1 66 66 TYR HB2 H 1 3.21 0.01 . 2 . . . . 66 TYR HB2 . 15373 1 726 . 1 1 66 66 TYR HB3 H 1 2.71 0.01 . 2 . . . . 66 TYR HB3 . 15373 1 727 . 1 1 66 66 TYR HD2 H 1 7.03 0.01 . 3 . . . . 66 TYR HD2 . 15373 1 728 . 1 1 66 66 TYR HE2 H 1 6.84 0.01 . 3 . . . . 66 TYR HE2 . 15373 1 729 . 1 1 66 66 TYR C C 13 175.99 0.30 . 1 . . . . 66 TYR C . 15373 1 730 . 1 1 66 66 TYR CA C 13 57.88 0.30 . 1 . . . . 66 TYR CA . 15373 1 731 . 1 1 66 66 TYR CB C 13 38.54 0.30 . 1 . . . . 66 TYR CB . 15373 1 732 . 1 1 66 66 TYR CD2 C 13 133.53 0.3 . 3 . . . . 66 TYR CD2 . 15373 1 733 . 1 1 66 66 TYR CE2 C 13 117.88 0.3 . 3 . . . . 66 TYR CE1 . 15373 1 734 . 1 1 66 66 TYR N N 15 116.64 0.15 . 1 . . . . 66 TYR N . 15373 1 735 . 1 1 67 67 ALA H H 1 7.72 0.01 . 1 . . . . 67 ALA H . 15373 1 736 . 1 1 67 67 ALA HA H 1 4.04 0.01 . 1 . . . . 67 ALA HA . 15373 1 737 . 1 1 67 67 ALA HB1 H 1 1.34 0.01 . 1 . . . . 67 ALA HB . 15373 1 738 . 1 1 67 67 ALA HB2 H 1 1.34 0.01 . 1 . . . . 67 ALA HB . 15373 1 739 . 1 1 67 67 ALA HB3 H 1 1.34 0.01 . 1 . . . . 67 ALA HB . 15373 1 740 . 1 1 67 67 ALA C C 13 178.73 0.30 . 1 . . . . 67 ALA C . 15373 1 741 . 1 1 67 67 ALA CA C 13 53.77 0.30 . 1 . . . . 67 ALA CA . 15373 1 742 . 1 1 67 67 ALA CB C 13 19.20 0.30 . 1 . . . . 67 ALA CB . 15373 1 743 . 1 1 67 67 ALA N N 15 123.88 0.15 . 1 . . . . 67 ALA N . 15373 1 744 . 1 1 68 68 GLU H H 1 8.28 0.01 . 1 . . . . 68 GLU H . 15373 1 745 . 1 1 68 68 GLU HA H 1 4.08 0.01 . 1 . . . . 68 GLU HA . 15373 1 746 . 1 1 68 68 GLU HB2 H 1 1.95 0.01 . 2 . . . . 68 GLU HB2 . 15373 1 747 . 1 1 68 68 GLU HG2 H 1 2.21 0.01 . 2 . . . . 68 GLU HG2 . 15373 1 748 . 1 1 68 68 GLU C C 13 177.28 0.30 . 1 . . . . 68 GLU C . 15373 1 749 . 1 1 68 68 GLU CA C 13 57.29 0.30 . 1 . . . . 68 GLU CA . 15373 1 750 . 1 1 68 68 GLU CB C 13 29.75 0.30 . 1 . . . . 68 GLU CB . 15373 1 751 . 1 1 68 68 GLU CG C 13 36.19 0.30 . 1 . . . . 68 GLU CG . 15373 1 752 . 1 1 68 68 GLU N N 15 119.65 0.15 . 1 . . . . 68 GLU N . 15373 1 753 . 1 1 69 69 ALA H H 1 8.05 0.01 . 1 . . . . 69 ALA H . 15373 1 754 . 1 1 69 69 ALA HA H 1 4.13 0.01 . 1 . . . . 69 ALA HA . 15373 1 755 . 1 1 69 69 ALA HB1 H 1 1.36 0.01 . 1 . . . . 69 ALA HB . 15373 1 756 . 1 1 69 69 ALA HB2 H 1 1.36 0.01 . 1 . . . . 69 ALA HB . 15373 1 757 . 1 1 69 69 ALA HB3 H 1 1.36 0.01 . 1 . . . . 69 ALA HB . 15373 1 758 . 1 1 69 69 ALA C C 13 178.89 0.30 . 1 . . . . 69 ALA C . 15373 1 759 . 1 1 69 69 ALA CA C 13 53.77 0.30 . 1 . . . . 69 ALA CA . 15373 1 760 . 1 1 69 69 ALA CB C 13 18.61 0.30 . 1 . . . . 69 ALA CB . 15373 1 761 . 1 1 69 69 ALA N N 15 123.63 0.15 . 1 . . . . 69 ALA N . 15373 1 762 . 1 1 70 70 ARG H H 1 8.10 0.01 . 1 . . . . 70 ARG H . 15373 1 763 . 1 1 70 70 ARG HA H 1 4.12 0.01 . 1 . . . . 70 ARG HA . 15373 1 764 . 1 1 70 70 ARG HB2 H 1 1.75 0.01 . 2 . . . . 70 ARG HB2 . 15373 1 765 . 1 1 70 70 ARG HD2 H 1 3.10 0.01 . 2 . . . . 70 ARG HD2 . 15373 1 766 . 1 1 70 70 ARG HG2 H 1 1.58 0.01 . 2 . . . . 70 ARG HG2 . 15373 1 767 . 1 1 70 70 ARG C C 13 177.54 0.30 . 1 . . . . 70 ARG C . 15373 1 768 . 1 1 70 70 ARG CA C 13 57.29 0.30 . 1 . . . . 70 ARG CA . 15373 1 769 . 1 1 70 70 ARG CB C 13 30.33 0.30 . 1 . . . . 70 ARG CB . 15373 1 770 . 1 1 70 70 ARG CD C 13 43.22 0.30 . 1 . . . . 70 ARG CD . 15373 1 771 . 1 1 70 70 ARG CG C 13 26.82 0.30 . 1 . . . . 70 ARG CG . 15373 1 772 . 1 1 70 70 ARG N N 15 118.61 0.15 . 1 . . . . 70 ARG N . 15373 1 773 . 1 1 71 71 SER H H 1 8.07 0.01 . 1 . . . . 71 SER H . 15373 1 774 . 1 1 71 71 SER HA H 1 4.26 0.01 . 1 . . . . 71 SER HA . 15373 1 775 . 1 1 71 71 SER HB2 H 1 3.88 0.01 . 2 . . . . 71 SER HB2 . 15373 1 776 . 1 1 71 71 SER C C 13 175.43 0.30 . 1 . . . . 71 SER C . 15373 1 777 . 1 1 71 71 SER CA C 13 59.63 0.30 . 1 . . . . 71 SER CA . 15373 1 778 . 1 1 71 71 SER CB C 13 63.15 0.30 . 1 . . . . 71 SER CB . 15373 1 779 . 1 1 71 71 SER N N 15 116.29 0.15 . 1 . . . . 71 SER N . 15373 1 780 . 1 1 72 72 ARG H H 1 8.13 0.01 . 1 . . . . 72 ARG H . 15373 1 781 . 1 1 72 72 ARG HA H 1 4.38 0.01 . 1 . . . . 72 ARG HA . 15373 1 782 . 1 1 72 72 ARG HB2 H 1 1.78 0.01 . 2 . . . . 72 ARG HB2 . 15373 1 783 . 1 1 72 72 ARG HD3 H 1 3.14 0.01 . 2 . . . . 72 ARG HD3 . 15373 1 784 . 1 1 72 72 ARG HG2 H 1 1.59 0.01 . 2 . . . . 72 ARG HG2 . 15373 1 785 . 1 1 72 72 ARG C C 13 177.12 0.30 . 1 . . . . 72 ARG C . 15373 1 786 . 1 1 72 72 ARG CA C 13 57.88 0.30 . 1 . . . . 72 ARG CA . 15373 1 787 . 1 1 72 72 ARG CB C 13 29.74 0.30 . 1 . . . . 72 ARG CB . 15373 1 788 . 1 1 72 72 ARG CD C 13 43.22 0.30 . 1 . . . . 72 ARG CD . 15373 1 789 . 1 1 72 72 ARG CG C 13 27.40 0.30 . 1 . . . . 72 ARG CG . 15373 1 790 . 1 1 72 72 ARG N N 15 122.48 0.15 . 1 . . . . 72 ARG N . 15373 1 791 . 1 1 73 73 LEU H H 1 7.94 0.01 . 1 . . . . 73 LEU H . 15373 1 792 . 1 1 73 73 LEU HA H 1 4.16 0.01 . 1 . . . . 73 LEU HA . 15373 1 793 . 1 1 73 73 LEU HB3 H 1 1.57 0.01 . 2 . . . . 73 LEU HB3 . 15373 1 794 . 1 1 73 73 LEU HD11 H 1 0.82 0.01 . 2 . . . . 73 LEU HD1 . 15373 1 795 . 1 1 73 73 LEU HD12 H 1 0.82 0.01 . 2 . . . . 73 LEU HD1 . 15373 1 796 . 1 1 73 73 LEU HD13 H 1 0.82 0.01 . 2 . . . . 73 LEU HD1 . 15373 1 797 . 1 1 73 73 LEU HG H 1 1.78 0.01 . 1 . . . . 73 LEU HG . 15373 1 798 . 1 1 73 73 LEU C C 13 177.74 0.30 . 1 . . . . 73 LEU C . 15373 1 799 . 1 1 73 73 LEU CA C 13 56.12 0.30 . 1 . . . . 73 LEU CA . 15373 1 800 . 1 1 73 73 LEU CB C 13 42.08 0.30 . 1 . . . . 73 LEU CB . 15373 1 801 . 1 1 73 73 LEU CD1 C 13 24.47 0.30 . 2 . . . . 73 LEU CD1 . 15373 1 802 . 1 1 73 73 LEU CG C 13 29.28 0.30 . 1 . . . . 73 LEU CG . 15373 1 803 . 1 1 73 73 LEU N N 15 121.34 0.15 . 1 . . . . 73 LEU N . 15373 1 804 . 1 1 74 74 ALA H H 1 7.97 0.01 . 1 . . . . 74 ALA H . 15373 1 805 . 1 1 74 74 ALA HA H 1 4.16 0.01 . 1 . . . . 74 ALA HA . 15373 1 806 . 1 1 74 74 ALA HB1 H 1 1.36 0.01 . 1 . . . . 74 ALA HB . 15373 1 807 . 1 1 74 74 ALA HB2 H 1 1.36 0.01 . 1 . . . . 74 ALA HB . 15373 1 808 . 1 1 74 74 ALA HB3 H 1 1.36 0.01 . 1 . . . . 74 ALA HB . 15373 1 809 . 1 1 74 74 ALA C C 13 178.68 0.30 . 1 . . . . 74 ALA C . 15373 1 810 . 1 1 74 74 ALA CA C 13 53.19 0.30 . 1 . . . . 74 ALA CA . 15373 1 811 . 1 1 74 74 ALA CB C 13 18.61 0.30 . 1 . . . . 74 ALA CB . 15373 1 812 . 1 1 74 74 ALA N N 15 123.33 0.15 . 1 . . . . 74 ALA N . 15373 1 813 . 1 1 75 75 LYS H H 1 8.00 0.01 . 1 . . . . 75 LYS H . 15373 1 814 . 1 1 75 75 LYS HA H 1 4.15 0.01 . 1 . . . . 75 LYS HA . 15373 1 815 . 1 1 75 75 LYS HB3 H 1 1.75 0.01 . 2 . . . . 75 LYS HB3 . 15373 1 816 . 1 1 75 75 LYS HD2 H 1 1.57 0.01 . 2 . . . . 75 LYS HD2 . 15373 1 817 . 1 1 75 75 LYS HE3 H 1 2.90 0.01 . 2 . . . . 75 LYS HE3 . 15373 1 818 . 1 1 75 75 LYS HG3 H 1 1.37 0.01 . 2 . . . . 75 LYS HG3 . 15373 1 819 . 1 1 75 75 LYS C C 13 177.45 0.30 . 1 . . . . 75 LYS C . 15373 1 820 . 1 1 75 75 LYS CA C 13 56.12 0.30 . 1 . . . . 75 LYS CA . 15373 1 821 . 1 1 75 75 LYS CB C 13 32.68 0.30 . 1 . . . . 75 LYS CB . 15373 1 822 . 1 1 75 75 LYS CD C 13 29.16 0.30 . 1 . . . . 75 LYS CD . 15373 1 823 . 1 1 75 75 LYS CE C 13 42.63 0.30 . 1 . . . . 75 LYS CE . 15373 1 824 . 1 1 75 75 LYS CG C 13 24.47 0.30 . 1 . . . . 75 LYS CG . 15373 1 825 . 1 1 75 75 LYS N N 15 119.39 0.15 . 1 . . . . 75 LYS N . 15373 1 826 . 1 1 76 76 GLU H H 1 8.21 0.01 . 1 . . . . 76 GLU H . 15373 1 827 . 1 1 76 76 GLU HA H 1 4.15 0.01 . 1 . . . . 76 GLU HA . 15373 1 828 . 1 1 76 76 GLU HB3 H 1 1.98 0.01 . 2 . . . . 76 GLU HB3 . 15373 1 829 . 1 1 76 76 GLU HG2 H 1 2.17 0.01 . 2 . . . . 76 GLU HG2 . 15373 1 830 . 1 1 76 76 GLU C C 13 177.14 0.30 . 1 . . . . 76 GLU C . 15373 1 831 . 1 1 76 76 GLU CA C 13 57.29 0.30 . 1 . . . . 76 GLU CA . 15373 1 832 . 1 1 76 76 GLU CB C 13 29.74 0.30 . 1 . . . . 76 GLU CB . 15373 1 833 . 1 1 76 76 GLU CG C 13 36.19 0.30 . 1 . . . . 76 GLU CG . 15373 1 834 . 1 1 76 76 GLU N N 15 120.56 0.15 . 1 . . . . 76 GLU N . 15373 1 835 . 1 1 77 77 MET H H 1 8.21 0.01 . 1 . . . . 77 MET H . 15373 1 836 . 1 1 77 77 MET HA H 1 4.37 0.01 . 1 . . . . 77 MET HA . 15373 1 837 . 1 1 77 77 MET HB3 H 1 2.23 0.01 . 2 . . . . 77 MET HB3 . 15373 1 838 . 1 1 77 77 MET HE1 H 1 1.99 0.01 . 1 . . . . 77 MET HE . 15373 1 839 . 1 1 77 77 MET HE2 H 1 1.99 0.01 . 1 . . . . 77 MET HE . 15373 1 840 . 1 1 77 77 MET HE3 H 1 1.99 0.01 . 1 . . . . 77 MET HE . 15373 1 841 . 1 1 77 77 MET HG2 H 1 2.47 0.01 . 2 . . . . 77 MET HG2 . 15373 1 842 . 1 1 77 77 MET HG3 H 1 2.56 0.01 . 2 . . . . 77 MET HG3 . 15373 1 843 . 1 1 77 77 MET C C 13 177.04 0.30 . 1 . . . . 77 MET C . 15373 1 844 . 1 1 77 77 MET CA C 13 55.53 0.30 . 1 . . . . 77 MET CA . 15373 1 845 . 1 1 77 77 MET CB C 13 32.09 0.30 . 1 . . . . 77 MET CB . 15373 1 846 . 1 1 77 77 MET CE C 13 16.85 0.30 . 1 . . . . 77 MET CE . 15373 1 847 . 1 1 77 77 MET CG C 13 32.09 0.30 . 1 . . . . 77 MET CG . 15373 1 848 . 1 1 77 77 MET N N 15 119.99 0.15 . 1 . . . . 77 MET N . 15373 1 849 . 1 1 78 78 GLY H H 1 8.24 0.01 . 1 . . . . 78 GLY H . 15373 1 850 . 1 1 78 78 GLY HA2 H 1 3.88 0.01 . 1 . . . . 78 GLY HA2 . 15373 1 851 . 1 1 78 78 GLY C C 13 175.09 0.30 . 1 . . . . 78 GLY C . 15373 1 852 . 1 1 78 78 GLY CA C 13 45.57 0.30 . 1 . . . . 78 GLY CA . 15373 1 853 . 1 1 78 78 GLY N N 15 109.16 0.15 . 1 . . . . 78 GLY N . 15373 1 854 . 1 1 79 79 LEU H H 1 8.07 0.01 . 1 . . . . 79 LEU H . 15373 1 855 . 1 1 79 79 LEU HA H 1 4.23 0.01 . 1 . . . . 79 LEU HA . 15373 1 856 . 1 1 79 79 LEU HB2 H 1 1.57 0.01 . 2 . . . . 79 LEU HB2 . 15373 1 857 . 1 1 79 79 LEU HD11 H 1 0.82 0.01 . 2 . . . . 79 LEU HD1 . 15373 1 858 . 1 1 79 79 LEU HD12 H 1 0.82 0.01 . 2 . . . . 79 LEU HD1 . 15373 1 859 . 1 1 79 79 LEU HD13 H 1 0.82 0.01 . 2 . . . . 79 LEU HD1 . 15373 1 860 . 1 1 79 79 LEU HD21 H 1 0.77 0.01 . 2 . . . . 79 LEU HD2 . 15373 1 861 . 1 1 79 79 LEU HD22 H 1 0.77 0.01 . 2 . . . . 79 LEU HD2 . 15373 1 862 . 1 1 79 79 LEU HD23 H 1 0.77 0.01 . 2 . . . . 79 LEU HD2 . 15373 1 863 . 1 1 79 79 LEU HG H 1 1.55 0.01 . 1 . . . . 79 LEU HG . 15373 1 864 . 1 1 79 79 LEU C C 13 178.29 0.30 . 1 . . . . 79 LEU C . 15373 1 865 . 1 1 79 79 LEU CA C 13 55.53 0.30 . 1 . . . . 79 LEU CA . 15373 1 866 . 1 1 79 79 LEU CB C 13 42.05 0.30 . 1 . . . . 79 LEU CB . 15373 1 867 . 1 1 79 79 LEU CD1 C 13 24.47 0.30 . 2 . . . . 79 LEU CD1 . 15373 1 868 . 1 1 79 79 LEU CD2 C 13 23.30 0.30 . 2 . . . . 79 LEU CD2 . 15373 1 869 . 1 1 79 79 LEU CG C 13 26.82 0.30 . 1 . . . . 79 LEU CG . 15373 1 870 . 1 1 79 79 LEU N N 15 121.38 0.15 . 1 . . . . 79 LEU N . 15373 1 871 . 1 1 80 80 GLY H H 1 8.43 0.01 . 1 . . . . 80 GLY H . 15373 1 872 . 1 1 80 80 GLY HA2 H 1 3.85 0.01 . 2 . . . . 80 GLY HA2 . 15373 1 873 . 1 1 80 80 GLY C C 13 174.45 0.30 . 1 . . . . 80 GLY C . 15373 1 874 . 1 1 80 80 GLY CA C 13 45.57 0.30 . 1 . . . . 80 GLY CA . 15373 1 875 . 1 1 80 80 GLY N N 15 109.16 0.15 . 1 . . . . 80 GLY N . 15373 1 876 . 1 1 81 81 GLN H H 1 8.08 0.01 . 1 . . . . 81 GLN H . 15373 1 877 . 1 1 81 81 GLN HA H 1 4.20 0.01 . 1 . . . . 81 GLN HA . 15373 1 878 . 1 1 81 81 GLN HB2 H 1 2.02 0.01 . 2 . . . . 81 GLN HB2 . 15373 1 879 . 1 1 81 81 GLN HB3 H 1 1.87 0.01 . 2 . . . . 81 GLN HB3 . 15373 1 880 . 1 1 81 81 GLN HG3 H 1 2.25 0.01 . 2 . . . . 81 GLN HG3 . 15373 1 881 . 1 1 81 81 GLN C C 13 175.46 0.30 . 1 . . . . 81 GLN C . 15373 1 882 . 1 1 81 81 GLN CA C 13 55.53 0.30 . 1 . . . . 81 GLN CA . 15373 1 883 . 1 1 81 81 GLN CB C 13 29.16 0.30 . 1 . . . . 81 GLN CB . 15373 1 884 . 1 1 81 81 GLN CG C 13 33.26 0.30 . 1 . . . . 81 GLN CG . 15373 1 885 . 1 1 81 81 GLN N N 15 119.66 0.15 . 1 . . . . 81 GLN N . 15373 1 886 . 1 1 82 82 ARG H H 1 8.57 0.01 . 1 . . . . 82 ARG H . 15373 1 887 . 1 1 82 82 ARG HA H 1 4.66 0.01 . 1 . . . . 82 ARG HA . 15373 1 888 . 1 1 82 82 ARG HB2 H 1 1.78 0.01 . 2 . . . . 82 ARG HB2 . 15373 1 889 . 1 1 82 82 ARG HB3 H 1 1.66 0.01 . 2 . . . . 82 ARG HB3 . 15373 1 890 . 1 1 82 82 ARG HD3 H 1 2.94 0.01 . 2 . . . . 82 ARG HD3 . 15373 1 891 . 1 1 82 82 ARG HG3 H 1 1.46 0.01 . 2 . . . . 82 ARG HG3 . 15373 1 892 . 1 1 82 82 ARG CA C 13 53.77 0.30 . 1 . . . . 82 ARG CA . 15373 1 893 . 1 1 82 82 ARG CB C 13 32.09 0.30 . 1 . . . . 82 ARG CB . 15373 1 894 . 1 1 82 82 ARG CG C 13 24.47 0.30 . 1 . . . . 82 ARG CG . 15373 1 895 . 1 1 82 82 ARG N N 15 125.72 0.15 . 1 . . . . 82 ARG N . 15373 1 896 . 1 1 84 84 LYS HA H 1 4.14 0.01 . 1 . . . . 84 LYS HA . 15373 1 897 . 1 1 84 84 LYS HB2 H 1 1.75 0.01 . 2 . . . . 84 LYS HB2 . 15373 1 898 . 1 1 84 84 LYS HD3 H 1 1.59 0.01 . 2 . . . . 84 LYS HD3 . 15373 1 899 . 1 1 84 84 LYS HE3 H 1 2.88 0.01 . 2 . . . . 84 LYS HE3 . 15373 1 900 . 1 1 84 84 LYS HG3 H 1 1.37 0.01 . 2 . . . . 84 LYS HG3 . 15373 1 901 . 1 1 84 84 LYS C C 13 176.19 0.30 . 1 . . . . 84 LYS C . 15373 1 902 . 1 1 84 84 LYS CA C 13 56.12 0.30 . 1 . . . . 84 LYS CA . 15373 1 903 . 1 1 84 84 LYS CB C 13 33.26 0.30 . 1 . . . . 84 LYS CB . 15373 1 904 . 1 1 84 84 LYS CD C 13 29.16 0.30 . 1 . . . . 84 LYS CD . 15373 1 905 . 1 1 84 84 LYS CE C 13 42.64 0.30 . 1 . . . . 84 LYS CE . 15373 1 906 . 1 1 84 84 LYS CG C 13 24.47 0.30 . 1 . . . . 84 LYS CG . 15373 1 907 . 1 1 85 85 ALA H H 1 8.27 0.01 . 1 . . . . 85 ALA H . 15373 1 908 . 1 1 85 85 ALA HA H 1 4.71 0.01 . 1 . . . . 85 ALA HA . 15373 1 909 . 1 1 85 85 ALA HB1 H 1 1.37 0.01 . 1 . . . . 85 ALA HB . 15373 1 910 . 1 1 85 85 ALA HB2 H 1 1.37 0.01 . 1 . . . . 85 ALA HB . 15373 1 911 . 1 1 85 85 ALA HB3 H 1 1.37 0.01 . 1 . . . . 85 ALA HB . 15373 1 912 . 1 1 85 85 ALA CA C 13 52.60 0.30 . 1 . . . . 85 ALA CA . 15373 1 913 . 1 1 85 85 ALA CB C 13 19.78 0.30 . 1 . . . . 85 ALA CB . 15373 1 914 . 1 1 85 85 ALA N N 15 125.19 0.15 . 1 . . . . 85 ALA N . 15373 1 915 . 1 1 86 86 ASN HA H 1 4.59 0.01 . 1 . . . . 86 ASN HA . 15373 1 916 . 1 1 86 86 ASN HB2 H 1 2.75 0.01 . 2 . . . . 86 ASN HB2 . 15373 1 917 . 1 1 86 86 ASN HB3 H 1 2.67 0.01 . 2 . . . . 86 ASN HB3 . 15373 1 918 . 1 1 86 86 ASN C C 13 174.18 0.30 . 1 . . . . 86 ASN C . 15373 1 919 . 1 1 86 86 ASN CA C 13 53.19 0.30 . 1 . . . . 86 ASN CA . 15373 1 920 . 1 1 86 86 ASN CB C 13 38.54 0.30 . 1 . . . . 86 ASN CB . 15373 1 921 . 1 1 87 87 ARG H H 1 7.79 0.01 . 1 . . . . 87 ARG H . 15373 1 922 . 1 1 87 87 ARG HA H 1 4.61 0.01 . 1 . . . . 87 ARG HA . 15373 1 923 . 1 1 87 87 ARG HB2 H 1 1.75 0.01 . 2 . . . . 87 ARG HB2 . 15373 1 924 . 1 1 87 87 ARG HB3 H 1 1.63 0.01 . 2 . . . . 87 ARG HB3 . 15373 1 925 . 1 1 87 87 ARG HD3 H 1 3.03 0.01 . 2 . . . . 87 ARG HD3 . 15373 1 926 . 1 1 87 87 ARG HG2 H 1 1.51 0.01 . 2 . . . . 87 ARG HG2 . 15373 1 927 . 1 1 87 87 ARG CA C 13 57.29 0.30 . 1 . . . . 87 ARG CA . 15373 1 928 . 1 1 87 87 ARG CB C 13 31.50 0.30 . 1 . . . . 87 ARG CB . 15373 1 929 . 1 1 87 87 ARG CD C 13 43.22 0.30 . 1 . . . . 87 ARG CD . 15373 1 930 . 1 1 87 87 ARG CG C 13 26.81 0.30 . 1 . . . . 87 ARG CG . 15373 1 931 . 1 1 87 87 ARG N N 15 125.74 0.15 . 1 . . . . 87 ARG N . 15373 1 stop_ save_