data_15209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15209 _Entry.Title ; Structure of the hDLG/SAP97 PDZ2 in complex with HPV-18 papillomavirus E6 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-10 _Entry.Accession_date 2007-04-10 _Entry.Last_release_date 2007-10-24 _Entry.Original_release_date 2007-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Y. Liu Y. . . 15209 2 J. Baleja J. D. . 15209 3 G. Henry G. D. . 15209 4 R. Hegde R. S. . 15209 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'hDLG PDZ domain' 'hDLG PDZ domain' 15209 'HPV E6' 'HPV E6' 15209 'protein-peptide complex' 'protein-peptide complex' 15209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 15209 '15N chemical shifts' 93 15209 '1H chemical shifts' 662 15209 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 . . 2007-10-24 2007-04-10 original author . 15209 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15209 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the hDLG/SAP97 PDZ2 domain and its mechanism for interaction with HPV-18 papillomavirus E6 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 38 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 10864 _Citation.Page_last 10874 _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 Y. Liu Y. . . 15209 1 2 G. Henry G. D. . 15209 1 3 R. Hegde R. S. . 15209 1 4 J. Baleja J. D. . 15209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15209 _Assembly.ID 1 _Assembly.Name 'hDlg PDZ2/E6 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hDlg PDZ2 domain' 1 $Disks_large_homolog_1 A . yes native no no . . . 15209 1 2 E6CT 2 $C-terminal_HPV-18_E6_peptide B . yes native no no . . . 15209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Disks_large_homolog_1 _Entity.Sf_category entity _Entity.Sf_framecode Disks_large_homolog_1 _Entity.Entry_ID 15209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Disks_large_homolog_1 _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 ; MEIKLIKGPKGLGFSIAGGV GNQHIPGDNSIYVTKIIEGG AAHKDGKLQIGDKLLAVNNV CLEEVTHEEAVTALKNTSDF VYLKVAKPTGSHHHHHH ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'second PDZ domain, residues 318-405' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 17373 . SAP97_PDZ2_polypeptide . . . . . 91.75 109 98.88 98.88 1.54e-53 . . . . 15209 1 2 no BMRB 17942 . hDlg . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 15209 1 3 no PDB 2I0L . "X-Ray Crystal Structure Of Sap97 Pdz2 Bound To The C- Terminal Peptide Of Hpv18 E6" . . . . . 85.57 84 98.80 100.00 9.08e-50 . . . . 15209 1 4 no PDB 2M3M . "Solution Structure Of A Complex Consisting Of Hdlg/sap-97 Residues 318-406 And Hpv51 Oncoprotein E6 Residues 141-151" . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 15209 1 5 no PDB 2OQS . "Structure Of The HdlgSAP97 PDZ2 IN COMPLEX WITH HPV-18 Papillomavirus E6 Peptide" . . . . . 100.00 97 100.00 100.00 2.06e-61 . . . . 15209 1 6 no PDB 2X7Z . "Crystal Structure Of The Sap97 Pdz2 I342w C378a Mutant Protein Domain" . . . . . 91.75 99 97.75 97.75 2.25e-53 . . . . 15209 1 7 no PDB 3RL8 . "Crytal Structure Of Hdlg1-Pdz2 Complexed With Apc" . . . . . 91.75 105 100.00 100.00 7.56e-55 . . . . 15209 1 8 no PDB 4G69 . "Structure Of The Human Discs Large 1 Pdz2 - Adenomatous Polyposis Coli Cytoskeletal Polarity Complex" . . . . . 91.75 100 100.00 100.00 1.88e-55 . . . . 15209 1 9 no PDB 4OAJ . "Crystal Structure Of The Complex Between Sap97 Pdz2 And 5ht2a Receptor Peptide" . . . . . 91.75 92 98.88 100.00 8.38e-55 . . . . 15209 1 10 no REF XP_012432549 . "PREDICTED: disks large homolog 1-like, partial [Taeniopygia guttata]" . . . . . 80.41 93 98.72 100.00 1.92e-46 . . . . 15209 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 3D-structure SWS-KEYWORD 15209 1 'Alternative splicing' SWS-KEYWORD 15209 1 'Disks large homolog 1' RCSB_NAME 15209 1 'Endoplasmic reticulum' SWS-KEYWORD 15209 1 hDlg SWS-SYNONYM 15209 1 'Host-virus interaction' SWS-KEYWORD 15209 1 Membrane SWS-KEYWORD 15209 1 Phosphorylation SWS-KEYWORD 15209 1 Repeat SWS-KEYWORD 15209 1 SAP-97 SWS-SYNONYM 15209 1 'SH3 domain' SWS-KEYWORD 15209 1 'Synapse-associated protein 97' SWS-SYNONYM 15209 1 'Synapse-associated protein 97, SAP-97, hDlg' . 15209 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15209 1 2 . GLU . 15209 1 3 . ILE . 15209 1 4 . LYS . 15209 1 5 . LEU . 15209 1 6 . ILE . 15209 1 7 . LYS . 15209 1 8 . GLY . 15209 1 9 . PRO . 15209 1 10 . LYS . 15209 1 11 . GLY . 15209 1 12 . LEU . 15209 1 13 . GLY . 15209 1 14 . PHE . 15209 1 15 . SER . 15209 1 16 . ILE . 15209 1 17 . ALA . 15209 1 18 . GLY . 15209 1 19 . GLY . 15209 1 20 . VAL . 15209 1 21 . GLY . 15209 1 22 . ASN . 15209 1 23 . GLN . 15209 1 24 . HIS . 15209 1 25 . ILE . 15209 1 26 . PRO . 15209 1 27 . GLY . 15209 1 28 . ASP . 15209 1 29 . ASN . 15209 1 30 . SER . 15209 1 31 . ILE . 15209 1 32 . TYR . 15209 1 33 . VAL . 15209 1 34 . THR . 15209 1 35 . LYS . 15209 1 36 . ILE . 15209 1 37 . ILE . 15209 1 38 . GLU . 15209 1 39 . GLY . 15209 1 40 . GLY . 15209 1 41 . ALA . 15209 1 42 . ALA . 15209 1 43 . HIS . 15209 1 44 . LYS . 15209 1 45 . ASP . 15209 1 46 . GLY . 15209 1 47 . LYS . 15209 1 48 . LEU . 15209 1 49 . GLN . 15209 1 50 . ILE . 15209 1 51 . GLY . 15209 1 52 . ASP . 15209 1 53 . LYS . 15209 1 54 . LEU . 15209 1 55 . LEU . 15209 1 56 . ALA . 15209 1 57 . VAL . 15209 1 58 . ASN . 15209 1 59 . ASN . 15209 1 60 . VAL . 15209 1 61 . CYS . 15209 1 62 . LEU . 15209 1 63 . GLU . 15209 1 64 . GLU . 15209 1 65 . VAL . 15209 1 66 . THR . 15209 1 67 . HIS . 15209 1 68 . GLU . 15209 1 69 . GLU . 15209 1 70 . ALA . 15209 1 71 . VAL . 15209 1 72 . THR . 15209 1 73 . ALA . 15209 1 74 . LEU . 15209 1 75 . LYS . 15209 1 76 . ASN . 15209 1 77 . THR . 15209 1 78 . SER . 15209 1 79 . ASP . 15209 1 80 . PHE . 15209 1 81 . VAL . 15209 1 82 . TYR . 15209 1 83 . LEU . 15209 1 84 . LYS . 15209 1 85 . VAL . 15209 1 86 . ALA . 15209 1 87 . LYS . 15209 1 88 . PRO . 15209 1 89 . THR . 15209 1 90 . GLY . 15209 1 91 . SER . 15209 1 92 . HIS . 15209 1 93 . HIS . 15209 1 94 . HIS . 15209 1 95 . HIS . 15209 1 96 . HIS . 15209 1 97 . HIS . 15209 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15209 1 . GLU 2 2 15209 1 . ILE 3 3 15209 1 . LYS 4 4 15209 1 . LEU 5 5 15209 1 . ILE 6 6 15209 1 . LYS 7 7 15209 1 . GLY 8 8 15209 1 . PRO 9 9 15209 1 . LYS 10 10 15209 1 . GLY 11 11 15209 1 . LEU 12 12 15209 1 . GLY 13 13 15209 1 . PHE 14 14 15209 1 . SER 15 15 15209 1 . ILE 16 16 15209 1 . ALA 17 17 15209 1 . GLY 18 18 15209 1 . GLY 19 19 15209 1 . VAL 20 20 15209 1 . GLY 21 21 15209 1 . ASN 22 22 15209 1 . GLN 23 23 15209 1 . HIS 24 24 15209 1 . ILE 25 25 15209 1 . PRO 26 26 15209 1 . GLY 27 27 15209 1 . ASP 28 28 15209 1 . ASN 29 29 15209 1 . SER 30 30 15209 1 . ILE 31 31 15209 1 . TYR 32 32 15209 1 . VAL 33 33 15209 1 . THR 34 34 15209 1 . LYS 35 35 15209 1 . ILE 36 36 15209 1 . ILE 37 37 15209 1 . GLU 38 38 15209 1 . GLY 39 39 15209 1 . GLY 40 40 15209 1 . ALA 41 41 15209 1 . ALA 42 42 15209 1 . HIS 43 43 15209 1 . LYS 44 44 15209 1 . ASP 45 45 15209 1 . GLY 46 46 15209 1 . LYS 47 47 15209 1 . LEU 48 48 15209 1 . GLN 49 49 15209 1 . ILE 50 50 15209 1 . GLY 51 51 15209 1 . ASP 52 52 15209 1 . LYS 53 53 15209 1 . LEU 54 54 15209 1 . LEU 55 55 15209 1 . ALA 56 56 15209 1 . VAL 57 57 15209 1 . ASN 58 58 15209 1 . ASN 59 59 15209 1 . VAL 60 60 15209 1 . CYS 61 61 15209 1 . LEU 62 62 15209 1 . GLU 63 63 15209 1 . GLU 64 64 15209 1 . VAL 65 65 15209 1 . THR 66 66 15209 1 . HIS 67 67 15209 1 . GLU 68 68 15209 1 . GLU 69 69 15209 1 . ALA 70 70 15209 1 . VAL 71 71 15209 1 . THR 72 72 15209 1 . ALA 73 73 15209 1 . LEU 74 74 15209 1 . LYS 75 75 15209 1 . ASN 76 76 15209 1 . THR 77 77 15209 1 . SER 78 78 15209 1 . ASP 79 79 15209 1 . PHE 80 80 15209 1 . VAL 81 81 15209 1 . TYR 82 82 15209 1 . LEU 83 83 15209 1 . LYS 84 84 15209 1 . VAL 85 85 15209 1 . ALA 86 86 15209 1 . LYS 87 87 15209 1 . PRO 88 88 15209 1 . THR 89 89 15209 1 . GLY 90 90 15209 1 . SER 91 91 15209 1 . HIS 92 92 15209 1 . HIS 93 93 15209 1 . HIS 94 94 15209 1 . HIS 95 95 15209 1 . HIS 96 96 15209 1 . HIS 97 97 15209 1 stop_ save_ save_C-terminal_HPV-18_E6_peptide _Entity.Sf_category entity _Entity.Sf_framecode C-terminal_HPV-18_E6_peptide _Entity.Entry_ID 15209 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name C-terminal_HPV-18_E6_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code RRETQV _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ARG . 15209 2 2 . ARG . 15209 2 3 . GLU . 15209 2 4 . THR . 15209 2 5 . GLN . 15209 2 6 . VAL . 15209 2 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 . ARG 1 1 15209 2 . ARG 2 2 15209 2 . GLU 3 3 15209 2 . THR 4 4 15209 2 . GLN 5 5 15209 2 . VAL 6 6 15209 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 15209 _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 $Disks_large_homolog_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15209 1 2 2 $C-terminal_HPV-18_E6_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15209 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 15209 _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 $Disks_large_homolog_1 . 'recombinant technology' 'Escherichia coli' bacteria . . Escherichia coli BL21(DE3) . . . . . . . . . . . . PLASMID . . pET30a(+) . . . . . . 15209 1 2 2 $C-terminal_HPV-18_E6_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 15209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM hDLG/SAP97 PDZ2 domain, 3mM HPV-18 E6 peptide, 4 mM TCEP, 20 uM DSS, 20mM phosphate buffer, pH 6.5, 99.5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.5% 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 'Disks large homolog 1' 'natural abundance' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 1 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 1 3 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 1 4 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 1 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15209 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM hDLG/SAP97 PDZ2 domain U-15N, 3mM HPV-18 E6 peptide, 4 mM TCEP, 20 uM DSS, 20mM phosphate buffer, pH 6.5, 90% H2O, 10% D2O' _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 'Disks large homolog 1' '[U-100% 15N]' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 2 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 2 3 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 2 4 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 2 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15209 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM hDLG/SAP97 PDZ2 domain U-15N, 13C, 3 mM HPV-18 E6 peptide, 4 mM TCEP, 20 uM DSS, 20 mM phosphate buffer, pH 6.5, 90% H2O, 10% D2O' _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 'Disks large homolog 1' '[U-100% 13C; U-100% 15N]' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 3 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 3 3 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 3 4 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 3 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15209 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM hDLG/SAP97 PDZ2 domain, U-15N, U-10%13C, 3 mM HPV-18 E6 peptide, 4 mM TCEP, 20 uM DSS, 20mM phosphate buffer, pH 6.5' _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 'Disks large homolog 1' '[U-100% 13C; U-100% 15N]' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 4 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 4 3 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 4 4 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 4 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15209 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM hDLG/SAP97 PDZ2 domain, U-15N, 3 mM HPV-18 E6 peptide, 5% C8E5, C8E5/n-octanol 0.87, 4 mM TCEP, 20 uM DSS, 20mM phosphate buffer, pH 6.5, 90% H2O, 10% D2O' _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 'Disks large homolog 1' '[U-100% 15N]' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 5 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 5 3 C8E5 'natural abundance' . . . . . . 5 . . % . . . . 15209 5 4 n-octanol 'natural abundance' . . . . . . 5.75 . . % . . . . 15209 5 5 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 5 6 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 5 7 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15209 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM hDLG/SAP97 PDZ2 domain, U-15N, 3 mM HPV-18 E6 peptide, 10 mg/ml pf1 phage, 4 mM TCEP, 20 uM DSS, 20mM phosphate buffer, pH 6.5,90% H2O, 10% D2O' _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 'Disks large homolog 1' '[U-100% 15N]' . . 1 $Disks_large_homolog_1 . . 2 . . mM . . . . 15209 6 2 'C-terminal HPV-18 E6 peptide' 'natural abundance' . . 2 $C-terminal_HPV-18_E6_peptide . . 3 . . mM . . . . 15209 6 3 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg/mL . . . . 15209 6 4 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 15209 6 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 15209 6 6 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15209 6 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 15209 _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' 28.2 . mM 15209 1 pH 6.5 . pH 15209 1 pressure 1 . atm 15209 1 temperature 293 . K 15209 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 15209 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15209 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15209 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15209 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 15209 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15209 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15209 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 15209 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15209 3 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 15209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15209 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance DRX' . 600 . . . 15209 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 15209 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using triple-resonance NMR spectroscopy.' 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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 3 HCCH-TOCSY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 4 HNCACB no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 5 CBCACONH no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 6 HBHA(CO)NH no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 7 CT-13C/1H-HSQC no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 8 'HSQC-DSSE (IPAP) for HN RDC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 1 9 'HSQC-DSSE (IPAP) for HN RDC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15209 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 15209 _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 . . . . . . . . . 15209 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15209 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15209 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 15209 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 15209 1 3 HCCH-TOCSY . . . 15209 1 5 CBCACONH . . . 15209 1 6 HBHA(CO)NH . . . 15209 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.98 0.01 . 1 . . . . 1 MET HA . 15209 1 2 . 1 1 1 1 MET HB2 H 1 2.12 0.02 . 2 . . . . 1 MET HB2 . 15209 1 3 . 1 1 1 1 MET HB3 H 1 1.81 0.02 . 2 . . . . 1 MET HB3 . 15209 1 4 . 1 1 1 1 MET HG2 H 1 2.32 0.02 . 2 . . . . 1 MET HG2 . 15209 1 5 . 1 1 1 1 MET HG3 H 1 2.19 0.02 . 2 . . . . 1 MET HG3 . 15209 1 6 . 1 1 1 1 MET HE1 H 1 1.91 0.02 . 1 . . . . 1 MET HE . 15209 1 7 . 1 1 1 1 MET HE2 H 1 1.91 0.02 . 1 . . . . 1 MET HE . 15209 1 8 . 1 1 1 1 MET HE3 H 1 1.91 0.02 . 1 . . . . 1 MET HE . 15209 1 9 . 1 1 1 1 MET C C 13 175.10 0.10 . 1 . . . . 1 MET C . 15209 1 10 . 1 1 1 1 MET CA C 13 55.00 0.20 . 1 . . . . 1 MET CA . 15209 1 11 . 1 1 1 1 MET CB C 13 33.60 0.10 . 1 . . . . 1 MET CB . 15209 1 12 . 1 1 1 1 MET CE C 13 16.50 0.20 . 1 . . . . 1 MET CE . 15209 1 13 . 1 1 2 2 GLU H H 1 8.90 0.01 . 1 . . . . 2 GLU H . 15209 1 14 . 1 1 2 2 GLU HA H 1 5.17 0.01 . 1 . . . . 2 GLU HA . 15209 1 15 . 1 1 2 2 GLU HB2 H 1 1.84 0.02 . 2 . . . . 2 GLU HB2 . 15209 1 16 . 1 1 2 2 GLU HB3 H 1 1.93 0.02 . 2 . . . . 2 GLU HB3 . 15209 1 17 . 1 1 2 2 GLU HG2 H 1 2.05 0.01 . 2 . . . . 2 GLU HG2 . 15209 1 18 . 1 1 2 2 GLU HG3 H 1 1.99 0.01 . 2 . . . . 2 GLU HG3 . 15209 1 19 . 1 1 2 2 GLU C C 13 175.10 0.20 . 1 . . . . 2 GLU C . 15209 1 20 . 1 1 2 2 GLU CA C 13 55.00 0.10 . 1 . . . . 2 GLU CA . 15209 1 21 . 1 1 2 2 GLU CB C 13 32.00 0.10 . 1 . . . . 2 GLU CB . 15209 1 22 . 1 1 2 2 GLU N N 15 127.30 0.03 . 1 . . . . 2 GLU N . 15209 1 23 . 1 1 3 3 ILE H H 1 8.97 0.01 . 1 . . . . 3 ILE H . 15209 1 24 . 1 1 3 3 ILE HA H 1 4.11 0.02 . 1 . . . . 3 ILE HA . 15209 1 25 . 1 1 3 3 ILE HB H 1 1.42 0.01 . 1 . . . . 3 ILE HB . 15209 1 26 . 1 1 3 3 ILE HG12 H 1 0.79 0.01 . 1 . . . . 3 ILE HG12 . 15209 1 27 . 1 1 3 3 ILE HG13 H 1 0.79 0.01 . 1 . . . . 3 ILE HG13 . 15209 1 28 . 1 1 3 3 ILE HG21 H 1 0.67 0.01 . 1 . . . . 3 ILE HG2 . 15209 1 29 . 1 1 3 3 ILE HG22 H 1 0.67 0.01 . 1 . . . . 3 ILE HG2 . 15209 1 30 . 1 1 3 3 ILE HG23 H 1 0.67 0.01 . 1 . . . . 3 ILE HG2 . 15209 1 31 . 1 1 3 3 ILE HD11 H 1 0.53 0.00 . 1 . . . . 3 ILE HD1 . 15209 1 32 . 1 1 3 3 ILE HD12 H 1 0.53 0.00 . 1 . . . . 3 ILE HD1 . 15209 1 33 . 1 1 3 3 ILE HD13 H 1 0.53 0.00 . 1 . . . . 3 ILE HD1 . 15209 1 34 . 1 1 3 3 ILE C C 13 173.50 0.20 . 1 . . . . 3 ILE C . 15209 1 35 . 1 1 3 3 ILE CA C 13 60.40 0.20 . 1 . . . . 3 ILE CA . 15209 1 36 . 1 1 3 3 ILE CB C 13 42.20 0.20 . 1 . . . . 3 ILE CB . 15209 1 37 . 1 1 3 3 ILE CG2 C 13 16.60 0.20 . 1 . . . . 3 ILE CG2 . 15209 1 38 . 1 1 3 3 ILE CD1 C 13 14.30 0.20 . 1 . . . . 3 ILE CD1 . 15209 1 39 . 1 1 3 3 ILE N N 15 126.20 0.05 . 1 . . . . 3 ILE N . 15209 1 40 . 1 1 4 4 LYS H H 1 8.44 0.01 . 1 . . . . 4 LYS H . 15209 1 41 . 1 1 4 4 LYS HA H 1 4.85 0.02 . 1 . . . . 4 LYS HA . 15209 1 42 . 1 1 4 4 LYS HB2 H 1 1.51 0.01 . 2 . . . . 4 LYS HB2 . 15209 1 43 . 1 1 4 4 LYS HG2 H 1 0.56 0.01 . 2 . . . . 4 LYS HG2 . 15209 1 44 . 1 1 4 4 LYS C C 13 175.20 0.20 . 1 . . . . 4 LYS C . 15209 1 45 . 1 1 4 4 LYS CA C 13 54.30 0.20 . 1 . . . . 4 LYS CA . 15209 1 46 . 1 1 4 4 LYS CB C 13 33.90 0.20 . 1 . . . . 4 LYS CB . 15209 1 47 . 1 1 4 4 LYS N N 15 129.20 0.05 . 1 . . . . 4 LYS N . 15209 1 48 . 1 1 5 5 LEU H H 1 8.93 0.01 . 1 . . . . 5 LEU H . 15209 1 49 . 1 1 5 5 LEU HA H 1 4.67 0.01 . 1 . . . . 5 LEU HA . 15209 1 50 . 1 1 5 5 LEU HB2 H 1 1.40 0.01 . 1 . . . . 5 LEU HB2 . 15209 1 51 . 1 1 5 5 LEU HB3 H 1 1.07 0.02 . 1 . . . . 5 LEU HB3 . 15209 1 52 . 1 1 5 5 LEU HD11 H 1 0.76 0.01 . 2 . . . . 5 LEU HD1 . 15209 1 53 . 1 1 5 5 LEU HD12 H 1 0.76 0.01 . 2 . . . . 5 LEU HD1 . 15209 1 54 . 1 1 5 5 LEU HD13 H 1 0.76 0.01 . 2 . . . . 5 LEU HD1 . 15209 1 55 . 1 1 5 5 LEU HD21 H 1 0.76 0.01 . 2 . . . . 5 LEU HD2 . 15209 1 56 . 1 1 5 5 LEU HD22 H 1 0.76 0.01 . 2 . . . . 5 LEU HD2 . 15209 1 57 . 1 1 5 5 LEU HD23 H 1 0.76 0.01 . 2 . . . . 5 LEU HD2 . 15209 1 58 . 1 1 5 5 LEU C C 13 174.90 0.10 . 1 . . . . 5 LEU C . 15209 1 59 . 1 1 5 5 LEU CA C 13 52.60 0.22 . 1 . . . . 5 LEU CA . 15209 1 60 . 1 1 5 5 LEU CB C 13 45.90 0.26 . 1 . . . . 5 LEU CB . 15209 1 61 . 1 1 5 5 LEU CD1 C 13 24.40 0.10 . 1 . . . . 5 LEU CD1 . 15209 1 62 . 1 1 5 5 LEU CD2 C 13 24.40 0.10 . 1 . . . . 5 LEU CD2 . 15209 1 63 . 1 1 5 5 LEU N N 15 125.40 0.10 . 1 . . . . 5 LEU N . 15209 1 64 . 1 1 6 6 ILE H H 1 8.10 0.01 . 1 . . . . 6 ILE H . 15209 1 65 . 1 1 6 6 ILE HA H 1 4.32 0.02 . 1 . . . . 6 ILE HA . 15209 1 66 . 1 1 6 6 ILE HB H 1 1.54 0.01 . 1 . . . . 6 ILE HB . 15209 1 67 . 1 1 6 6 ILE HG12 H 1 0.80 0.01 . 1 . . . . 6 ILE HG12 . 15209 1 68 . 1 1 6 6 ILE HG13 H 1 0.80 0.01 . 1 . . . . 6 ILE HG13 . 15209 1 69 . 1 1 6 6 ILE HG21 H 1 0.62 0.01 . 1 . . . . 6 ILE HG2 . 15209 1 70 . 1 1 6 6 ILE HG22 H 1 0.62 0.01 . 1 . . . . 6 ILE HG2 . 15209 1 71 . 1 1 6 6 ILE HG23 H 1 0.62 0.01 . 1 . . . . 6 ILE HG2 . 15209 1 72 . 1 1 6 6 ILE HD11 H 1 0.64 0.01 . 1 . . . . 6 ILE HD1 . 15209 1 73 . 1 1 6 6 ILE HD12 H 1 0.64 0.01 . 1 . . . . 6 ILE HD1 . 15209 1 74 . 1 1 6 6 ILE HD13 H 1 0.64 0.01 . 1 . . . . 6 ILE HD1 . 15209 1 75 . 1 1 6 6 ILE C C 13 173.50 0.20 . 1 . . . . 6 ILE C . 15209 1 76 . 1 1 6 6 ILE CA C 13 59.80 0.20 . 1 . . . . 6 ILE CA . 15209 1 77 . 1 1 6 6 ILE CB C 13 38.10 0.20 . 1 . . . . 6 ILE CB . 15209 1 78 . 1 1 6 6 ILE CG2 C 13 16.80 0.01 . 1 . . . . 6 ILE CG2 . 15209 1 79 . 1 1 6 6 ILE CD1 C 13 12.70 0.01 . 1 . . . . 6 ILE CD1 . 15209 1 80 . 1 1 6 6 ILE N N 15 121.70 0.02 . 1 . . . . 6 ILE N . 15209 1 81 . 1 1 7 7 LYS H H 1 8.49 0.02 . 1 . . . . 7 LYS H . 15209 1 82 . 1 1 7 7 LYS HA H 1 3.54 0.00 . 1 . . . . 7 LYS HA . 15209 1 83 . 1 1 7 7 LYS HB2 H 1 1.66 0.01 . 2 . . . . 7 LYS HB2 . 15209 1 84 . 1 1 7 7 LYS HB3 H 1 1.33 0.01 . 2 . . . . 7 LYS HB3 . 15209 1 85 . 1 1 7 7 LYS HG2 H 1 0.91 0.01 . 2 . . . . 7 LYS HG2 . 15209 1 86 . 1 1 7 7 LYS HG3 H 1 0.91 0.01 . 2 . . . . 7 LYS HG3 . 15209 1 87 . 1 1 7 7 LYS HD2 H 1 1.41 0.01 . 2 . . . . 7 LYS HD2 . 15209 1 88 . 1 1 7 7 LYS HD3 H 1 1.41 0.01 . 2 . . . . 7 LYS HD3 . 15209 1 89 . 1 1 7 7 LYS HE2 H 1 2.78 0.01 . 1 . . . . 7 LYS HE2 . 15209 1 90 . 1 1 7 7 LYS HE3 H 1 2.78 0.01 . 1 . . . . 7 LYS HE3 . 15209 1 91 . 1 1 7 7 LYS C C 13 176.30 0.20 . 1 . . . . 7 LYS C . 15209 1 92 . 1 1 7 7 LYS CA C 13 58.00 0.11 . 1 . . . . 7 LYS CA . 15209 1 93 . 1 1 7 7 LYS CB C 13 33.50 0.10 . 1 . . . . 7 LYS CB . 15209 1 94 . 1 1 7 7 LYS N N 15 127.70 0.03 . 1 . . . . 7 LYS N . 15209 1 95 . 1 1 8 8 GLY H H 1 7.39 0.02 . 1 . . . . 8 GLY H . 15209 1 96 . 1 1 8 8 GLY HA2 H 1 3.90 0.01 . 2 . . . . 8 GLY HA2 . 15209 1 97 . 1 1 8 8 GLY HA3 H 1 4.56 0.01 . 2 . . . . 8 GLY HA3 . 15209 1 98 . 1 1 8 8 GLY C C 13 173.70 0.10 . 1 . . . . 8 GLY C . 15209 1 99 . 1 1 8 8 GLY CA C 13 44.00 0.10 . 1 . . . . 8 GLY CA . 15209 1 100 . 1 1 8 8 GLY N N 15 113.00 0.16 . 1 . . . . 8 GLY N . 15209 1 101 . 1 1 9 9 PRO HA H 1 4.23 0.01 . 1 . . . . 9 PRO HA . 15209 1 102 . 1 1 9 9 PRO HB2 H 1 2.28 0.01 . 2 . . . . 9 PRO HB2 . 15209 1 103 . 1 1 9 9 PRO HB3 H 1 1.93 0.01 . 2 . . . . 9 PRO HB3 . 15209 1 104 . 1 1 9 9 PRO HG2 H 1 1.78 0.01 . 2 . . . . 9 PRO HG2 . 15209 1 105 . 1 1 9 9 PRO HG3 H 1 1.78 0.01 . 2 . . . . 9 PRO HG3 . 15209 1 106 . 1 1 9 9 PRO HD2 H 1 3.53 0.02 . 2 . . . . 9 PRO HD2 . 15209 1 107 . 1 1 9 9 PRO HD3 H 1 3.67 0.02 . 2 . . . . 9 PRO HD3 . 15209 1 108 . 1 1 9 9 PRO C C 13 176.20 0.50 . 1 . . . . 9 PRO C . 15209 1 109 . 1 1 9 9 PRO CD C 13 49.30 0.10 . 1 . . . . 9 PRO CD . 15209 1 110 . 1 1 10 10 LYS H H 1 8.35 0.01 . 1 . . . . 10 LYS H . 15209 1 111 . 1 1 10 10 LYS HA H 1 4.36 0.01 . 1 . . . . 10 LYS HA . 15209 1 112 . 1 1 10 10 LYS HB2 H 1 1.91 0.01 . 2 . . . . 10 LYS HB2 . 15209 1 113 . 1 1 10 10 LYS HB3 H 1 1.55 0.01 . 2 . . . . 10 LYS HB3 . 15209 1 114 . 1 1 10 10 LYS HG2 H 1 1.17 0.01 . 4 . . . . 10 LYS HG2 . 15209 1 115 . 1 1 10 10 LYS HG3 H 1 1.17 0.01 . 4 . . . . 10 LYS HG3 . 15209 1 116 . 1 1 10 10 LYS HD2 H 1 1.27 0.01 . 4 . . . . 10 LYS HD2 . 15209 1 117 . 1 1 10 10 LYS HD3 H 1 1.27 0.10 . 4 . . . . 10 LYS HD3 . 15209 1 118 . 1 1 10 10 LYS HE2 H 1 2.84 0.02 . 2 . . . . 10 LYS HE2 . 15209 1 119 . 1 1 10 10 LYS HE3 H 1 2.54 0.02 . 2 . . . . 10 LYS HE3 . 15209 1 120 . 1 1 10 10 LYS C C 13 178.40 0.20 . 1 . . . . 10 LYS C . 15209 1 121 . 1 1 10 10 LYS CA C 13 55.00 0.20 . 1 . . . . 10 LYS CA . 15209 1 122 . 1 1 10 10 LYS CB C 13 31.50 0.20 . 1 . . . . 10 LYS CB . 15209 1 123 . 1 1 10 10 LYS N N 15 122.40 0.10 . 1 . . . . 10 LYS N . 15209 1 124 . 1 1 11 11 GLY H H 1 7.82 0.01 . 1 . . . . 11 GLY H . 15209 1 125 . 1 1 11 11 GLY HA2 H 1 4.42 0.04 . 1 . . . . 11 GLY HA2 . 15209 1 126 . 1 1 11 11 GLY HA3 H 1 3.33 0.00 . 1 . . . . 11 GLY HA3 . 15209 1 127 . 1 1 11 11 GLY C C 13 175.30 0.20 . 1 . . . . 11 GLY C . 15209 1 128 . 1 1 11 11 GLY CA C 13 44.10 0.10 . 1 . . . . 11 GLY CA . 15209 1 129 . 1 1 11 11 GLY N N 15 108.20 0.07 . 1 . . . . 11 GLY N . 15209 1 130 . 1 1 12 12 LEU H H 1 11.68 0.04 . 1 . . . . 12 LEU H . 15209 1 131 . 1 1 12 12 LEU HA H 1 4.13 0.02 . 1 . . . . 12 LEU HA . 15209 1 132 . 1 1 12 12 LEU HB2 H 1 1.35 0.03 . 2 . . . . 12 LEU HB2 . 15209 1 133 . 1 1 12 12 LEU HB3 H 1 1.52 0.01 . 2 . . . . 12 LEU HB3 . 15209 1 134 . 1 1 12 12 LEU HD11 H 1 0.63 0.01 . 1 . . . . 12 LEU HD1 . 15209 1 135 . 1 1 12 12 LEU HD12 H 1 0.63 0.01 . 1 . . . . 12 LEU HD1 . 15209 1 136 . 1 1 12 12 LEU HD13 H 1 0.63 0.01 . 1 . . . . 12 LEU HD1 . 15209 1 137 . 1 1 12 12 LEU HD21 H 1 0.74 0.01 . 1 . . . . 12 LEU HD2 . 15209 1 138 . 1 1 12 12 LEU HD22 H 1 0.74 0.01 . 1 . . . . 12 LEU HD2 . 15209 1 139 . 1 1 12 12 LEU HD23 H 1 0.74 0.01 . 1 . . . . 12 LEU HD2 . 15209 1 140 . 1 1 12 12 LEU C C 13 177.30 0.20 . 1 . . . . 12 LEU C . 15209 1 141 . 1 1 12 12 LEU CA C 13 56.30 0.20 . 1 . . . . 12 LEU CA . 15209 1 142 . 1 1 12 12 LEU CB C 13 42.80 0.20 . 1 . . . . 12 LEU CB . 15209 1 143 . 1 1 12 12 LEU CD2 C 13 23.40 0.10 . 1 . . . . 12 LEU CD2 . 15209 1 144 . 1 1 12 12 LEU N N 15 130.00 0.03 . 1 . . . . 12 LEU N . 15209 1 145 . 1 1 13 13 GLY H H 1 9.10 0.01 . 1 . . . . 13 GLY H . 15209 1 146 . 1 1 13 13 GLY HA2 H 1 3.77 0.01 . 2 . . . . 13 GLY HA2 . 15209 1 147 . 1 1 13 13 GLY HA3 H 1 4.29 0.01 . 2 . . . . 13 GLY HA3 . 15209 1 148 . 1 1 13 13 GLY C C 13 176.40 0.20 . 1 . . . . 13 GLY C . 15209 1 149 . 1 1 13 13 GLY CA C 13 45.80 0.02 . 1 . . . . 13 GLY CA . 15209 1 150 . 1 1 13 13 GLY N N 15 106.20 0.05 . 1 . . . . 13 GLY N . 15209 1 151 . 1 1 14 14 PHE H H 1 7.74 0.01 . 1 . . . . 14 PHE H . 15209 1 152 . 1 1 14 14 PHE HA H 1 4.95 0.02 . 1 . . . . 14 PHE HA . 15209 1 153 . 1 1 14 14 PHE HB2 H 1 3.40 0.01 . 1 . . . . 14 PHE HB2 . 15209 1 154 . 1 1 14 14 PHE HB3 H 1 2.84 0.01 . 1 . . . . 14 PHE HB3 . 15209 1 155 . 1 1 14 14 PHE HD1 H 1 6.62 0.01 . 1 . . . . 14 PHE HD1 . 15209 1 156 . 1 1 14 14 PHE HD2 H 1 6.62 0.01 . 1 . . . . 14 PHE HD2 . 15209 1 157 . 1 1 14 14 PHE HE1 H 1 6.73 0.01 . 1 . . . . 14 PHE HE1 . 15209 1 158 . 1 1 14 14 PHE HE2 H 1 6.73 0.01 . 1 . . . . 14 PHE HE2 . 15209 1 159 . 1 1 14 14 PHE HZ H 1 6.69 0.01 . 1 . . . . 14 PHE HZ . 15209 1 160 . 1 1 14 14 PHE C C 13 171.50 0.10 . 1 . . . . 14 PHE C . 15209 1 161 . 1 1 14 14 PHE CA C 13 56.20 0.20 . 1 . . . . 14 PHE CA . 15209 1 162 . 1 1 14 14 PHE CB C 13 40.90 0.20 . 1 . . . . 14 PHE CB . 15209 1 163 . 1 1 14 14 PHE N N 15 118.20 0.11 . 1 . . . . 14 PHE N . 15209 1 164 . 1 1 15 15 SER H H 1 8.58 0.00 . 1 . . . . 15 SER H . 15209 1 165 . 1 1 15 15 SER HA H 1 5.34 0.35 . 1 . . . . 15 SER HA . 15209 1 166 . 1 1 15 15 SER HB2 H 1 3.37 0.01 . 2 . . . . 15 SER HB2 . 15209 1 167 . 1 1 15 15 SER HB3 H 1 3.41 0.01 . 2 . . . . 15 SER HB3 . 15209 1 168 . 1 1 15 15 SER CA C 13 56.20 0.11 . 1 . . . . 15 SER CA . 15209 1 169 . 1 1 15 15 SER CB C 13 64.30 0.10 . 1 . . . . 15 SER CB . 15209 1 170 . 1 1 15 15 SER N N 15 114.00 0.12 . 1 . . . . 15 SER N . 15209 1 171 . 1 1 16 16 ILE H H 1 8.56 0.01 . 1 . . . . 16 ILE H . 15209 1 172 . 1 1 16 16 ILE HA H 1 5.63 0.02 . 1 . . . . 16 ILE HA . 15209 1 173 . 1 1 16 16 ILE HB H 1 1.66 0.01 . 1 . . . . 16 ILE HB . 15209 1 174 . 1 1 16 16 ILE HG12 H 1 1.52 0.02 . 2 . . . . 16 ILE HG12 . 15209 1 175 . 1 1 16 16 ILE HG21 H 1 0.77 0.04 . 1 . . . . 16 ILE HG2 . 15209 1 176 . 1 1 16 16 ILE HG22 H 1 0.77 0.04 . 1 . . . . 16 ILE HG2 . 15209 1 177 . 1 1 16 16 ILE HG23 H 1 0.77 0.04 . 1 . . . . 16 ILE HG2 . 15209 1 178 . 1 1 16 16 ILE HD11 H 1 0.27 0.01 . 1 . . . . 16 ILE HD1 . 15209 1 179 . 1 1 16 16 ILE HD12 H 1 0.27 0.01 . 1 . . . . 16 ILE HD1 . 15209 1 180 . 1 1 16 16 ILE HD13 H 1 0.27 0.01 . 1 . . . . 16 ILE HD1 . 15209 1 181 . 1 1 16 16 ILE C C 13 174.20 0.20 . 1 . . . . 16 ILE C . 15209 1 182 . 1 1 16 16 ILE CA C 13 57.90 0.30 . 1 . . . . 16 ILE CA . 15209 1 183 . 1 1 16 16 ILE CB C 13 43.10 0.20 . 1 . . . . 16 ILE CB . 15209 1 184 . 1 1 16 16 ILE CG2 C 13 20.60 0.37 . 1 . . . . 16 ILE CG2 . 15209 1 185 . 1 1 16 16 ILE CD1 C 13 14.70 0.01 . 1 . . . . 16 ILE CD1 . 15209 1 186 . 1 1 16 16 ILE N N 15 113.90 0.13 . 1 . . . . 16 ILE N . 15209 1 187 . 1 1 17 17 ALA H H 1 9.03 0.06 . 1 . . . . 17 ALA H . 15209 1 188 . 1 1 17 17 ALA HA H 1 5.03 0.01 . 1 . . . . 17 ALA HA . 15209 1 189 . 1 1 17 17 ALA HB1 H 1 1.17 0.01 . 1 . . . . 17 ALA HB . 15209 1 190 . 1 1 17 17 ALA HB2 H 1 1.17 0.01 . 1 . . . . 17 ALA HB . 15209 1 191 . 1 1 17 17 ALA HB3 H 1 1.17 0.01 . 1 . . . . 17 ALA HB . 15209 1 192 . 1 1 17 17 ALA C C 13 176.60 0.20 . 1 . . . . 17 ALA C . 15209 1 193 . 1 1 17 17 ALA CA C 13 49.90 0.40 . 1 . . . . 17 ALA CA . 15209 1 194 . 1 1 17 17 ALA CB C 13 25.30 0.20 . 1 . . . . 17 ALA CB . 15209 1 195 . 1 1 17 17 ALA N N 15 122.70 0.05 . 1 . . . . 17 ALA N . 15209 1 196 . 1 1 18 18 GLY H H 1 8.56 0.02 . 1 . . . . 18 GLY H . 15209 1 197 . 1 1 18 18 GLY HA2 H 1 4.98 0.39 . 1 . . . . 18 GLY HA2 . 15209 1 198 . 1 1 18 18 GLY HA3 H 1 5.29 0.01 . 1 . . . . 18 GLY HA3 . 15209 1 199 . 1 1 18 18 GLY C C 13 175.30 0.20 . 1 . . . . 18 GLY C . 15209 1 200 . 1 1 18 18 GLY CA C 13 44.20 0.02 . 1 . . . . 18 GLY CA . 15209 1 201 . 1 1 18 18 GLY N N 15 106.20 0.05 . 1 . . . . 18 GLY N . 15209 1 202 . 1 1 19 19 GLY H H 1 6.34 0.01 . 1 . . . . 19 GLY H . 15209 1 203 . 1 1 19 19 GLY HA2 H 1 4.38 0.02 . 1 . . . . 19 GLY HA2 . 15209 1 204 . 1 1 19 19 GLY HA3 H 1 3.92 0.01 . 1 . . . . 19 GLY HA3 . 15209 1 205 . 1 1 19 19 GLY C C 13 174.90 0.20 . 1 . . . . 19 GLY C . 15209 1 206 . 1 1 19 19 GLY CA C 13 43.40 0.02 . 1 . . . . 19 GLY CA . 15209 1 207 . 1 1 19 19 GLY N N 15 107.60 0.03 . 1 . . . . 19 GLY N . 15209 1 208 . 1 1 20 20 VAL H H 1 8.63 0.01 . 1 . . . . 20 VAL H . 15209 1 209 . 1 1 20 20 VAL HA H 1 3.45 0.01 . 1 . . . . 20 VAL HA . 15209 1 210 . 1 1 20 20 VAL HB H 1 1.38 0.01 . 1 . . . . 20 VAL HB . 15209 1 211 . 1 1 20 20 VAL HG11 H 1 0.71 0.01 . 1 . . . . 20 VAL HG1 . 15209 1 212 . 1 1 20 20 VAL HG12 H 1 0.71 0.01 . 1 . . . . 20 VAL HG1 . 15209 1 213 . 1 1 20 20 VAL HG13 H 1 0.71 0.01 . 1 . . . . 20 VAL HG1 . 15209 1 214 . 1 1 20 20 VAL HG21 H 1 0.68 0.01 . 1 . . . . 20 VAL HG2 . 15209 1 215 . 1 1 20 20 VAL HG22 H 1 0.68 0.01 . 1 . . . . 20 VAL HG2 . 15209 1 216 . 1 1 20 20 VAL HG23 H 1 0.68 0.01 . 1 . . . . 20 VAL HG2 . 15209 1 217 . 1 1 20 20 VAL C C 13 179.00 0.20 . 1 . . . . 20 VAL C . 15209 1 218 . 1 1 20 20 VAL CA C 13 64.50 0.20 . 1 . . . . 20 VAL CA . 15209 1 219 . 1 1 20 20 VAL CB C 13 31.70 0.20 . 1 . . . . 20 VAL CB . 15209 1 220 . 1 1 20 20 VAL CG2 C 13 19.90 0.10 . 1 . . . . 20 VAL CG2 . 15209 1 221 . 1 1 20 20 VAL N N 15 122.00 0.04 . 1 . . . . 20 VAL N . 15209 1 222 . 1 1 21 21 GLY H H 1 9.41 0.06 . 1 . . . . 21 GLY H . 15209 1 223 . 1 1 21 21 GLY HA2 H 1 4.12 0.01 . 2 . . . . 21 GLY HA2 . 15209 1 224 . 1 1 21 21 GLY HA3 H 1 3.58 0.05 . 2 . . . . 21 GLY HA3 . 15209 1 225 . 1 1 21 21 GLY C C 13 173.70 0.50 . 1 . . . . 21 GLY C . 15209 1 226 . 1 1 21 21 GLY CA C 13 44.90 0.01 . 1 . . . . 21 GLY CA . 15209 1 227 . 1 1 21 21 GLY N N 15 119.00 0.02 . 1 . . . . 21 GLY N . 15209 1 228 . 1 1 22 22 ASN H H 1 8.46 0.02 . 1 . . . . 22 ASN H . 15209 1 229 . 1 1 22 22 ASN HA H 1 4.82 0.01 . 1 . . . . 22 ASN HA . 15209 1 230 . 1 1 22 22 ASN HB2 H 1 2.09 0.01 . 1 . . . . 22 ASN HB2 . 15209 1 231 . 1 1 22 22 ASN HB3 H 1 2.48 0.01 . 1 . . . . 22 ASN HB3 . 15209 1 232 . 1 1 22 22 ASN HD21 H 1 7.53 0.00 . 1 . . . . 22 ASN HD21 . 15209 1 233 . 1 1 22 22 ASN HD22 H 1 7.13 0.01 . 1 . . . . 22 ASN HD22 . 15209 1 234 . 1 1 22 22 ASN C C 13 174.80 0.10 . 1 . . . . 22 ASN C . 15209 1 235 . 1 1 22 22 ASN CA C 13 53.00 0.10 . 1 . . . . 22 ASN CA . 15209 1 236 . 1 1 22 22 ASN CB C 13 40.80 0.10 . 1 . . . . 22 ASN CB . 15209 1 237 . 1 1 22 22 ASN N N 15 123.60 0.05 . 1 . . . . 22 ASN N . 15209 1 238 . 1 1 22 22 ASN ND2 N 15 114.40 0.04 . 1 . . . . 22 ASN ND2 . 15209 1 239 . 1 1 23 23 GLN H H 1 8.26 0.01 . 1 . . . . 23 GLN H . 15209 1 240 . 1 1 23 23 GLN HA H 1 4.02 0.01 . 1 . . . . 23 GLN HA . 15209 1 241 . 1 1 23 23 GLN HB2 H 1 2.13 0.01 . 1 . . . . 23 GLN HB2 . 15209 1 242 . 1 1 23 23 GLN HB3 H 1 2.13 0.01 . 1 . . . . 23 GLN HB3 . 15209 1 243 . 1 1 23 23 GLN HG2 H 1 2.60 0.01 . 1 . . . . 23 GLN HG2 . 15209 1 244 . 1 1 23 23 GLN HG3 H 1 2.60 0.01 . 1 . . . . 23 GLN HG3 . 15209 1 245 . 1 1 23 23 GLN HE21 H 1 7.59 0.01 . 2 . . . . 23 GLN HE21 . 15209 1 246 . 1 1 23 23 GLN HE22 H 1 6.93 0.01 . 2 . . . . 23 GLN HE22 . 15209 1 247 . 1 1 23 23 GLN C C 13 178.50 0.50 . 1 . . . . 23 GLN C . 15209 1 248 . 1 1 23 23 GLN CA C 13 58.20 0.10 . 1 . . . . 23 GLN CA . 15209 1 249 . 1 1 23 23 GLN N N 15 117.00 0.20 . 1 . . . . 23 GLN N . 15209 1 250 . 1 1 24 24 HIS H H 1 10.23 0.04 . 1 . . . . 24 HIS H . 15209 1 251 . 1 1 24 24 HIS HA H 1 4.68 0.02 . 1 . . . . 24 HIS HA . 15209 1 252 . 1 1 24 24 HIS HB2 H 1 3.02 0.01 . 1 . . . . 24 HIS HB2 . 15209 1 253 . 1 1 24 24 HIS HB3 H 1 2.95 0.01 . 1 . . . . 24 HIS HB3 . 15209 1 254 . 1 1 24 24 HIS HD2 H 1 5.96 0.01 . 1 . . . . 24 HIS HD2 . 15209 1 255 . 1 1 24 24 HIS HE1 H 1 7.52 0.10 . 1 . . . . 24 HIS HE1 . 15209 1 256 . 1 1 24 24 HIS C C 13 174.90 0.10 . 1 . . . . 24 HIS C . 15209 1 257 . 1 1 24 24 HIS CA C 13 61.90 0.10 . 1 . . . . 24 HIS CA . 15209 1 258 . 1 1 24 24 HIS CB C 13 32.00 0.10 . 1 . . . . 24 HIS CB . 15209 1 259 . 1 1 24 24 HIS CD2 C 13 118.90 0.20 . 1 . . . . 24 HIS CD2 . 15209 1 260 . 1 1 24 24 HIS CE1 C 13 137.10 0.10 . 1 . . . . 24 HIS CE1 . 15209 1 261 . 1 1 24 24 HIS N N 15 124.90 0.06 . 1 . . . . 24 HIS N . 15209 1 262 . 1 1 25 25 ILE H H 1 6.89 0.04 . 1 . . . . 25 ILE H . 15209 1 263 . 1 1 25 25 ILE HA H 1 4.13 0.01 . 1 . . . . 25 ILE HA . 15209 1 264 . 1 1 25 25 ILE HB H 1 1.48 0.01 . 1 . . . . 25 ILE HB . 15209 1 265 . 1 1 25 25 ILE HG12 H 1 0.97 0.01 . 1 . . . . 25 ILE HG12 . 15209 1 266 . 1 1 25 25 ILE HG13 H 1 0.97 0.01 . 1 . . . . 25 ILE HG13 . 15209 1 267 . 1 1 25 25 ILE HG21 H 1 0.72 0.01 . 1 . . . . 25 ILE HG2 . 15209 1 268 . 1 1 25 25 ILE HG22 H 1 0.72 0.01 . 1 . . . . 25 ILE HG2 . 15209 1 269 . 1 1 25 25 ILE HG23 H 1 0.72 0.01 . 1 . . . . 25 ILE HG2 . 15209 1 270 . 1 1 25 25 ILE HD11 H 1 0.37 0.01 . 1 . . . . 25 ILE HD1 . 15209 1 271 . 1 1 25 25 ILE HD12 H 1 0.37 0.01 . 1 . . . . 25 ILE HD1 . 15209 1 272 . 1 1 25 25 ILE HD13 H 1 0.37 0.01 . 1 . . . . 25 ILE HD1 . 15209 1 273 . 1 1 25 25 ILE C C 13 173.30 0.20 . 1 . . . . 25 ILE C . 15209 1 274 . 1 1 25 25 ILE CA C 13 57.20 0.10 . 1 . . . . 25 ILE CA . 15209 1 275 . 1 1 25 25 ILE CB C 13 41.90 0.10 . 1 . . . . 25 ILE CB . 15209 1 276 . 1 1 25 25 ILE CG2 C 13 16.00 0.07 . 1 . . . . 25 ILE CG2 . 15209 1 277 . 1 1 25 25 ILE CD1 C 13 12.10 0.10 . 1 . . . . 25 ILE CD1 . 15209 1 278 . 1 1 25 25 ILE N N 15 118.10 0.07 . 1 . . . . 25 ILE N . 15209 1 279 . 1 1 26 26 PRO HA H 1 4.04 0.00 . 1 . . . . 26 PRO HA . 15209 1 280 . 1 1 26 26 PRO HB2 H 1 2.13 0.00 . 2 . . . . 26 PRO HB2 . 15209 1 281 . 1 1 26 26 PRO HB3 H 1 1.75 0.02 . 2 . . . . 26 PRO HB3 . 15209 1 282 . 1 1 26 26 PRO HG2 H 1 1.93 0.01 . 2 . . . . 26 PRO HG2 . 15209 1 283 . 1 1 26 26 PRO HG3 H 1 1.93 0.01 . 2 . . . . 26 PRO HG3 . 15209 1 284 . 1 1 26 26 PRO HD2 H 1 3.59 0.02 . 2 . . . . 26 PRO HD2 . 15209 1 285 . 1 1 26 26 PRO HD3 H 1 3.38 0.01 . 2 . . . . 26 PRO HD3 . 15209 1 286 . 1 1 26 26 PRO C C 13 178.10 0.50 . 1 . . . . 26 PRO C . 15209 1 287 . 1 1 26 26 PRO CA C 13 64.30 0.13 . 1 . . . . 26 PRO CA . 15209 1 288 . 1 1 26 26 PRO CB C 13 31.60 0.20 . 1 . . . . 26 PRO CB . 15209 1 289 . 1 1 26 26 PRO CD C 13 50.50 0.10 . 1 . . . . 26 PRO CD . 15209 1 290 . 1 1 27 27 GLY H H 1 8.18 0.10 . 1 . . . . 27 GLY H . 15209 1 291 . 1 1 27 27 GLY HA2 H 1 4.05 0.01 . 2 . . . . 27 GLY HA2 . 15209 1 292 . 1 1 27 27 GLY HA3 H 1 3.67 0.01 . 2 . . . . 27 GLY HA3 . 15209 1 293 . 1 1 27 27 GLY C C 13 172.80 0.50 . 1 . . . . 27 GLY C . 15209 1 294 . 1 1 27 27 GLY CA C 13 45.70 0.10 . 1 . . . . 27 GLY CA . 15209 1 295 . 1 1 27 27 GLY N N 15 112.20 0.05 . 1 . . . . 27 GLY N . 15209 1 296 . 1 1 28 28 ASP H H 1 8.07 0.01 . 1 . . . . 28 ASP H . 15209 1 297 . 1 1 28 28 ASP HA H 1 4.79 0.04 . 1 . . . . 28 ASP HA . 15209 1 298 . 1 1 28 28 ASP HB2 H 1 3.11 0.01 . 1 . . . . 28 ASP HB2 . 15209 1 299 . 1 1 28 28 ASP HB3 H 1 2.27 0.01 . 1 . . . . 28 ASP HB3 . 15209 1 300 . 1 1 28 28 ASP C C 13 176.60 0.10 . 1 . . . . 28 ASP C . 15209 1 301 . 1 1 28 28 ASP CA C 13 52.30 0.10 . 1 . . . . 28 ASP CA . 15209 1 302 . 1 1 28 28 ASP CB C 13 43.60 0.10 . 1 . . . . 28 ASP CB . 15209 1 303 . 1 1 28 28 ASP N N 15 121.90 0.08 . 1 . . . . 28 ASP N . 15209 1 304 . 1 1 29 29 ASN H H 1 9.53 0.02 . 1 . . . . 29 ASN H . 15209 1 305 . 1 1 29 29 ASN HA H 1 4.81 0.02 . 1 . . . . 29 ASN HA . 15209 1 306 . 1 1 29 29 ASN HB2 H 1 2.82 0.01 . 1 . . . . 29 ASN HB2 . 15209 1 307 . 1 1 29 29 ASN HB3 H 1 2.82 0.01 . 1 . . . . 29 ASN HB3 . 15209 1 308 . 1 1 29 29 ASN HD21 H 1 9.08 0.01 . 1 . . . . 29 ASN HD21 . 15209 1 309 . 1 1 29 29 ASN HD22 H 1 7.16 0.03 . 1 . . . . 29 ASN HD22 . 15209 1 310 . 1 1 29 29 ASN C C 13 176.50 0.20 . 1 . . . . 29 ASN C . 15209 1 311 . 1 1 29 29 ASN CA C 13 53.60 0.50 . 1 . . . . 29 ASN CA . 15209 1 312 . 1 1 29 29 ASN CB C 13 39.30 0.30 . 1 . . . . 29 ASN CB . 15209 1 313 . 1 1 29 29 ASN N N 15 125.30 0.04 . 1 . . . . 29 ASN N . 15209 1 314 . 1 1 29 29 ASN ND2 N 15 119.80 0.01 . 1 . . . . 29 ASN ND2 . 15209 1 315 . 1 1 30 30 SER H H 1 8.77 0.02 . 1 . . . . 30 SER H . 15209 1 316 . 1 1 30 30 SER HA H 1 4.28 0.01 . 1 . . . . 30 SER HA . 15209 1 317 . 1 1 30 30 SER HB2 H 1 3.33 0.01 . 1 . . . . 30 SER HB2 . 15209 1 318 . 1 1 30 30 SER HB3 H 1 3.63 0.01 . 1 . . . . 30 SER HB3 . 15209 1 319 . 1 1 30 30 SER C C 13 171.60 0.20 . 1 . . . . 30 SER C . 15209 1 320 . 1 1 30 30 SER CA C 13 60.40 0.20 . 1 . . . . 30 SER CA . 15209 1 321 . 1 1 30 30 SER CB C 13 63.00 0.20 . 1 . . . . 30 SER CB . 15209 1 322 . 1 1 30 30 SER N N 15 116.30 0.06 . 1 . . . . 30 SER N . 15209 1 323 . 1 1 31 31 ILE H H 1 9.19 0.02 . 1 . . . . 31 ILE H . 15209 1 324 . 1 1 31 31 ILE HA H 1 4.59 0.02 . 1 . . . . 31 ILE HA . 15209 1 325 . 1 1 31 31 ILE HB H 1 2.11 0.01 . 1 . . . . 31 ILE HB . 15209 1 326 . 1 1 31 31 ILE HG12 H 1 0.97 0.01 . 2 . . . . 31 ILE HG12 . 15209 1 327 . 1 1 31 31 ILE HG13 H 1 1.85 0.01 . 2 . . . . 31 ILE HG13 . 15209 1 328 . 1 1 31 31 ILE HG21 H 1 0.71 0.01 . 1 . . . . 31 ILE HG2 . 15209 1 329 . 1 1 31 31 ILE HG22 H 1 0.71 0.01 . 1 . . . . 31 ILE HG2 . 15209 1 330 . 1 1 31 31 ILE HG23 H 1 0.71 0.01 . 1 . . . . 31 ILE HG2 . 15209 1 331 . 1 1 31 31 ILE HD11 H 1 0.38 0.01 . 1 . . . . 31 ILE HD1 . 15209 1 332 . 1 1 31 31 ILE HD12 H 1 0.38 0.01 . 1 . . . . 31 ILE HD1 . 15209 1 333 . 1 1 31 31 ILE HD13 H 1 0.38 0.01 . 1 . . . . 31 ILE HD1 . 15209 1 334 . 1 1 31 31 ILE C C 13 175.00 0.20 . 1 . . . . 31 ILE C . 15209 1 335 . 1 1 31 31 ILE CA C 13 57.10 0.10 . 1 . . . . 31 ILE CA . 15209 1 336 . 1 1 31 31 ILE CB C 13 35.40 0.10 . 1 . . . . 31 ILE CB . 15209 1 337 . 1 1 31 31 ILE CG2 C 13 19.00 0.01 . 1 . . . . 31 ILE CG2 . 15209 1 338 . 1 1 31 31 ILE CD1 C 13 7.63 0.17 . 1 . . . . 31 ILE CD1 . 15209 1 339 . 1 1 31 31 ILE N N 15 123.50 0.11 . 1 . . . . 31 ILE N . 15209 1 340 . 1 1 32 32 TYR H H 1 8.25 0.01 . 1 . . . . 32 TYR H . 15209 1 341 . 1 1 32 32 TYR HA H 1 5.20 0.01 . 1 . . . . 32 TYR HA . 15209 1 342 . 1 1 32 32 TYR HB2 H 1 2.43 0.03 . 1 . . . . 32 TYR HB2 . 15209 1 343 . 1 1 32 32 TYR HB3 H 1 1.81 0.02 . 1 . . . . 32 TYR HB3 . 15209 1 344 . 1 1 32 32 TYR HD1 H 1 6.82 0.01 . 1 . . . . 32 TYR HD1 . 15209 1 345 . 1 1 32 32 TYR HD2 H 1 6.82 0.01 . 1 . . . . 32 TYR HD2 . 15209 1 346 . 1 1 32 32 TYR HE1 H 1 6.54 0.01 . 1 . . . . 32 TYR HE1 . 15209 1 347 . 1 1 32 32 TYR HE2 H 1 6.54 0.01 . 1 . . . . 32 TYR HE2 . 15209 1 348 . 1 1 32 32 TYR C C 13 175.70 0.20 . 1 . . . . 32 TYR C . 15209 1 349 . 1 1 32 32 TYR CA C 13 56.40 0.20 . 1 . . . . 32 TYR CA . 15209 1 350 . 1 1 32 32 TYR CB C 13 44.10 0.20 . 1 . . . . 32 TYR CB . 15209 1 351 . 1 1 32 32 TYR N N 15 123.90 0.04 . 1 . . . . 32 TYR N . 15209 1 352 . 1 1 33 33 VAL H H 1 8.58 0.01 . 1 . . . . 33 VAL H . 15209 1 353 . 1 1 33 33 VAL HA H 1 4.46 0.00 . 1 . . . . 33 VAL HA . 15209 1 354 . 1 1 33 33 VAL HB H 1 2.03 0.01 . 1 . . . . 33 VAL HB . 15209 1 355 . 1 1 33 33 VAL HG11 H 1 0.64 0.01 . 1 . . . . 33 VAL HG1 . 15209 1 356 . 1 1 33 33 VAL HG12 H 1 0.64 0.01 . 1 . . . . 33 VAL HG1 . 15209 1 357 . 1 1 33 33 VAL HG13 H 1 0.64 0.01 . 1 . . . . 33 VAL HG1 . 15209 1 358 . 1 1 33 33 VAL HG21 H 1 0.55 0.03 . 1 . . . . 33 VAL HG2 . 15209 1 359 . 1 1 33 33 VAL HG22 H 1 0.55 0.03 . 1 . . . . 33 VAL HG2 . 15209 1 360 . 1 1 33 33 VAL HG23 H 1 0.55 0.03 . 1 . . . . 33 VAL HG2 . 15209 1 361 . 1 1 33 33 VAL C C 13 178.10 0.20 . 1 . . . . 33 VAL C . 15209 1 362 . 1 1 33 33 VAL CA C 13 62.70 0.50 . 1 . . . . 33 VAL CA . 15209 1 363 . 1 1 33 33 VAL CB C 13 32.50 0.30 . 1 . . . . 33 VAL CB . 15209 1 364 . 1 1 33 33 VAL CG1 C 13 21.20 0.30 . 1 . . . . 33 VAL CG1 . 15209 1 365 . 1 1 33 33 VAL CG2 C 13 21.30 0.30 . 1 . . . . 33 VAL CG2 . 15209 1 366 . 1 1 33 33 VAL N N 15 120.40 0.08 . 1 . . . . 33 VAL N . 15209 1 367 . 1 1 34 34 THR H H 1 8.78 0.01 . 1 . . . . 34 THR H . 15209 1 368 . 1 1 34 34 THR HA H 1 4.38 0.01 . 1 . . . . 34 THR HA . 15209 1 369 . 1 1 34 34 THR HB H 1 4.04 0.02 . 1 . . . . 34 THR HB . 15209 1 370 . 1 1 34 34 THR HG21 H 1 1.07 0.01 . 1 . . . . 34 THR HG2 . 15209 1 371 . 1 1 34 34 THR HG22 H 1 1.07 0.01 . 1 . . . . 34 THR HG2 . 15209 1 372 . 1 1 34 34 THR HG23 H 1 1.07 0.01 . 1 . . . . 34 THR HG2 . 15209 1 373 . 1 1 34 34 THR C C 13 175.10 0.20 . 1 . . . . 34 THR C . 15209 1 374 . 1 1 34 34 THR CA C 13 61.90 0.40 . 1 . . . . 34 THR CA . 15209 1 375 . 1 1 34 34 THR CB C 13 69.50 0.40 . 1 . . . . 34 THR CB . 15209 1 376 . 1 1 34 34 THR N N 15 118.70 0.09 . 1 . . . . 34 THR N . 15209 1 377 . 1 1 35 35 LYS H H 1 7.11 0.06 . 1 . . . . 35 LYS H . 15209 1 378 . 1 1 35 35 LYS HA H 1 4.29 0.01 . 1 . . . . 35 LYS HA . 15209 1 379 . 1 1 35 35 LYS HB2 H 1 1.54 0.01 . 1 . . . . 35 LYS HB2 . 15209 1 380 . 1 1 35 35 LYS HB3 H 1 1.54 0.01 . 1 . . . . 35 LYS HB3 . 15209 1 381 . 1 1 35 35 LYS HE2 H 1 2.80 0.01 . 1 . . . . 35 LYS HE2 . 15209 1 382 . 1 1 35 35 LYS HE3 H 1 2.80 0.01 . 1 . . . . 35 LYS HE3 . 15209 1 383 . 1 1 35 35 LYS C C 13 174.60 0.20 . 1 . . . . 35 LYS C . 15209 1 384 . 1 1 35 35 LYS CA C 13 56.40 0.20 . 1 . . . . 35 LYS CA . 15209 1 385 . 1 1 35 35 LYS CB C 13 37.00 0.10 . 1 . . . . 35 LYS CB . 15209 1 386 . 1 1 35 35 LYS N N 15 120.50 0.10 . 1 . . . . 35 LYS N . 15209 1 387 . 1 1 36 36 ILE H H 1 8.53 0.03 . 1 . . . . 36 ILE H . 15209 1 388 . 1 1 36 36 ILE HA H 1 4.24 0.01 . 1 . . . . 36 ILE HA . 15209 1 389 . 1 1 36 36 ILE HB H 1 1.68 0.07 . 1 . . . . 36 ILE HB . 15209 1 390 . 1 1 36 36 ILE HG12 H 1 0.96 0.01 . 1 . . . . 36 ILE HG12 . 15209 1 391 . 1 1 36 36 ILE HG13 H 1 0.96 0.01 . 1 . . . . 36 ILE HG13 . 15209 1 392 . 1 1 36 36 ILE HG21 H 1 0.79 0.01 . 1 . . . . 36 ILE HG2 . 15209 1 393 . 1 1 36 36 ILE HG22 H 1 0.79 0.01 . 1 . . . . 36 ILE HG2 . 15209 1 394 . 1 1 36 36 ILE HG23 H 1 0.79 0.01 . 1 . . . . 36 ILE HG2 . 15209 1 395 . 1 1 36 36 ILE HD11 H 1 0.36 0.01 . 1 . . . . 36 ILE HD1 . 15209 1 396 . 1 1 36 36 ILE HD12 H 1 0.36 0.01 . 1 . . . . 36 ILE HD1 . 15209 1 397 . 1 1 36 36 ILE HD13 H 1 0.36 0.01 . 1 . . . . 36 ILE HD1 . 15209 1 398 . 1 1 36 36 ILE C C 13 175.20 0.20 . 1 . . . . 36 ILE C . 15209 1 399 . 1 1 36 36 ILE CA C 13 59.80 0.10 . 1 . . . . 36 ILE CA . 15209 1 400 . 1 1 36 36 ILE CB C 13 38.50 0.10 . 1 . . . . 36 ILE CB . 15209 1 401 . 1 1 36 36 ILE CG1 C 13 26.70 0.10 . 1 . . . . 36 ILE CG1 . 15209 1 402 . 1 1 36 36 ILE CG2 C 13 16.80 0.01 . 1 . . . . 36 ILE CG2 . 15209 1 403 . 1 1 36 36 ILE CD1 C 13 11.49 0.40 . 1 . . . . 36 ILE CD1 . 15209 1 404 . 1 1 36 36 ILE N N 15 123.80 0.06 . 1 . . . . 36 ILE N . 15209 1 405 . 1 1 37 37 ILE H H 1 7.65 0.02 . 1 . . . . 37 ILE H . 15209 1 406 . 1 1 37 37 ILE HA H 1 3.86 0.02 . 1 . . . . 37 ILE HA . 15209 1 407 . 1 1 37 37 ILE HB H 1 1.57 0.01 . 1 . . . . 37 ILE HB . 15209 1 408 . 1 1 37 37 ILE HG12 H 1 1.14 0.02 . 1 . . . . 37 ILE HG12 . 15209 1 409 . 1 1 37 37 ILE HG13 H 1 1.14 0.02 . 1 . . . . 37 ILE HG13 . 15209 1 410 . 1 1 37 37 ILE HG21 H 1 0.71 0.01 . 1 . . . . 37 ILE HG2 . 15209 1 411 . 1 1 37 37 ILE HG22 H 1 0.71 0.01 . 1 . . . . 37 ILE HG2 . 15209 1 412 . 1 1 37 37 ILE HG23 H 1 0.71 0.01 . 1 . . . . 37 ILE HG2 . 15209 1 413 . 1 1 37 37 ILE HD11 H 1 0.48 0.01 . 1 . . . . 37 ILE HD1 . 15209 1 414 . 1 1 37 37 ILE HD12 H 1 0.48 0.01 . 1 . . . . 37 ILE HD1 . 15209 1 415 . 1 1 37 37 ILE HD13 H 1 0.48 0.01 . 1 . . . . 37 ILE HD1 . 15209 1 416 . 1 1 37 37 ILE C C 13 176.70 0.20 . 1 . . . . 37 ILE C . 15209 1 417 . 1 1 37 37 ILE CA C 13 59.20 0.50 . 1 . . . . 37 ILE CA . 15209 1 418 . 1 1 37 37 ILE CB C 13 36.90 0.20 . 1 . . . . 37 ILE CB . 15209 1 419 . 1 1 37 37 ILE CG1 C 13 26.70 0.10 . 1 . . . . 37 ILE CG1 . 15209 1 420 . 1 1 37 37 ILE CG2 C 13 16.50 0.20 . 1 . . . . 37 ILE CG2 . 15209 1 421 . 1 1 37 37 ILE CD1 C 13 9.78 0.20 . 1 . . . . 37 ILE CD1 . 15209 1 422 . 1 1 37 37 ILE N N 15 126.60 0.20 . 1 . . . . 37 ILE N . 15209 1 423 . 1 1 38 38 GLU H H 1 9.08 0.01 . 1 . . . . 38 GLU H . 15209 1 424 . 1 1 38 38 GLU HA H 1 2.98 0.01 . 1 . . . . 38 GLU HA . 15209 1 425 . 1 1 38 38 GLU HB2 H 1 1.71 0.02 . 2 . . . . 38 GLU HB2 . 15209 1 426 . 1 1 38 38 GLU HB3 H 1 1.65 0.02 . 2 . . . . 38 GLU HB3 . 15209 1 427 . 1 1 38 38 GLU HG2 H 1 1.89 0.02 . 1 . . . . 38 GLU HG2 . 15209 1 428 . 1 1 38 38 GLU HG3 H 1 1.89 0.02 . 1 . . . . 38 GLU HG3 . 15209 1 429 . 1 1 38 38 GLU C C 13 177.50 0.30 . 1 . . . . 38 GLU C . 15209 1 430 . 1 1 38 38 GLU CA C 13 58.30 0.20 . 1 . . . . 38 GLU CA . 15209 1 431 . 1 1 38 38 GLU CB C 13 28.70 0.20 . 1 . . . . 38 GLU CB . 15209 1 432 . 1 1 38 38 GLU CG C 13 35.70 0.10 . 1 . . . . 38 GLU CG . 15209 1 433 . 1 1 38 38 GLU N N 15 133.40 0.20 . 1 . . . . 38 GLU N . 15209 1 434 . 1 1 39 39 GLY H H 1 9.48 0.02 . 1 . . . . 39 GLY H . 15209 1 435 . 1 1 39 39 GLY HA2 H 1 4.13 0.01 . 1 . . . . 39 GLY HA2 . 15209 1 436 . 1 1 39 39 GLY HA3 H 1 3.75 0.01 . 1 . . . . 39 GLY HA3 . 15209 1 437 . 1 1 39 39 GLY C C 13 173.50 0.10 . 1 . . . . 39 GLY C . 15209 1 438 . 1 1 39 39 GLY CA C 13 44.80 0.10 . 1 . . . . 39 GLY CA . 15209 1 439 . 1 1 39 39 GLY N N 15 116.60 0.03 . 1 . . . . 39 GLY N . 15209 1 440 . 1 1 40 40 GLY H H 1 7.64 0.01 . 1 . . . . 40 GLY H . 15209 1 441 . 1 1 40 40 GLY HA2 H 1 4.12 0.01 . 2 . . . . 40 GLY HA2 . 15209 1 442 . 1 1 40 40 GLY HA3 H 1 3.89 0.01 . 2 . . . . 40 GLY HA3 . 15209 1 443 . 1 1 40 40 GLY C C 13 173.50 0.20 . 1 . . . . 40 GLY C . 15209 1 444 . 1 1 40 40 GLY CA C 13 44.80 0.20 . 1 . . . . 40 GLY CA . 15209 1 445 . 1 1 40 40 GLY N N 15 106.70 0.13 . 1 . . . . 40 GLY N . 15209 1 446 . 1 1 41 41 ALA H H 1 8.58 0.01 . 1 . . . . 41 ALA H . 15209 1 447 . 1 1 41 41 ALA HA H 1 3.98 0.01 . 1 . . . . 41 ALA HA . 15209 1 448 . 1 1 41 41 ALA HB1 H 1 1.55 0.02 . 1 . . . . 41 ALA HB . 15209 1 449 . 1 1 41 41 ALA HB2 H 1 1.55 0.02 . 1 . . . . 41 ALA HB . 15209 1 450 . 1 1 41 41 ALA HB3 H 1 1.55 0.02 . 1 . . . . 41 ALA HB . 15209 1 451 . 1 1 41 41 ALA C C 13 173.50 0.30 . 1 . . . . 41 ALA C . 15209 1 452 . 1 1 41 41 ALA CA C 13 56.10 0.30 . 1 . . . . 41 ALA CA . 15209 1 453 . 1 1 41 41 ALA CB C 13 18.30 0.30 . 1 . . . . 41 ALA CB . 15209 1 454 . 1 1 41 41 ALA N N 15 120.40 0.05 . 1 . . . . 41 ALA N . 15209 1 455 . 1 1 42 42 ALA H H 1 8.13 0.01 . 1 . . . . 42 ALA H . 15209 1 456 . 1 1 42 42 ALA HA H 1 4.15 0.01 . 1 . . . . 42 ALA HA . 15209 1 457 . 1 1 42 42 ALA HB1 H 1 1.34 0.01 . 1 . . . . 42 ALA HB . 15209 1 458 . 1 1 42 42 ALA HB2 H 1 1.34 0.01 . 1 . . . . 42 ALA HB . 15209 1 459 . 1 1 42 42 ALA HB3 H 1 1.34 0.01 . 1 . . . . 42 ALA HB . 15209 1 460 . 1 1 42 42 ALA C C 13 181.30 0.30 . 1 . . . . 42 ALA C . 15209 1 461 . 1 1 42 42 ALA CA C 13 54.90 0.10 . 1 . . . . 42 ALA CA . 15209 1 462 . 1 1 42 42 ALA CB C 13 18.40 0.10 . 1 . . . . 42 ALA CB . 15209 1 463 . 1 1 42 42 ALA N N 15 119.70 0.04 . 1 . . . . 42 ALA N . 15209 1 464 . 1 1 43 43 HIS H H 1 9.75 0.05 . 1 . . . . 43 HIS H . 15209 1 465 . 1 1 43 43 HIS HA H 1 4.02 0.01 . 1 . . . . 43 HIS HA . 15209 1 466 . 1 1 43 43 HIS HB2 H 1 3.06 0.01 . 1 . . . . 43 HIS HB2 . 15209 1 467 . 1 1 43 43 HIS HB3 H 1 3.10 0.03 . 1 . . . . 43 HIS HB3 . 15209 1 468 . 1 1 43 43 HIS HD2 H 1 7.05 0.01 . 1 . . . . 43 HIS HD2 . 15209 1 469 . 1 1 43 43 HIS HE1 H 1 7.66 0.01 . 1 . . . . 43 HIS HE1 . 15209 1 470 . 1 1 43 43 HIS C C 13 177.00 0.10 . 1 . . . . 43 HIS C . 15209 1 471 . 1 1 43 43 HIS CA C 13 59.70 0.10 . 1 . . . . 43 HIS CA . 15209 1 472 . 1 1 43 43 HIS CB C 13 32.70 0.10 . 1 . . . . 43 HIS CB . 15209 1 473 . 1 1 43 43 HIS CD2 C 13 120.00 0.50 . 1 . . . . 43 HIS CD2 . 15209 1 474 . 1 1 43 43 HIS CE1 C 13 138.90 0.20 . 1 . . . . 43 HIS CE1 . 15209 1 475 . 1 1 43 43 HIS N N 15 125.40 0.10 . 1 . . . . 43 HIS N . 15209 1 476 . 1 1 44 44 LYS H H 1 8.32 0.01 . 1 . . . . 44 LYS H . 15209 1 477 . 1 1 44 44 LYS HA H 1 3.65 0.02 . 1 . . . . 44 LYS HA . 15209 1 478 . 1 1 44 44 LYS HB2 H 1 1.68 0.03 . 2 . . . . 44 LYS HB2 . 15209 1 479 . 1 1 44 44 LYS HB3 H 1 1.68 0.03 . 2 . . . . 44 LYS HB3 . 15209 1 480 . 1 1 44 44 LYS HG2 H 1 1.30 0.02 . 4 . . . . 44 LYS HG2 . 15209 1 481 . 1 1 44 44 LYS HG3 H 1 1.30 0.02 . 4 . . . . 44 LYS HG3 . 15209 1 482 . 1 1 44 44 LYS HD2 H 1 1.42 0.02 . 4 . . . . 44 LYS HD2 . 15209 1 483 . 1 1 44 44 LYS HD3 H 1 1.42 0.02 . 4 . . . . 44 LYS HD3 . 15209 1 484 . 1 1 44 44 LYS HE2 H 1 2.83 0.05 . 1 . . . . 44 LYS HE2 . 15209 1 485 . 1 1 44 44 LYS HE3 H 1 2.83 0.05 . 1 . . . . 44 LYS HE3 . 15209 1 486 . 1 1 44 44 LYS C C 13 178.60 0.30 . 1 . . . . 44 LYS C . 15209 1 487 . 1 1 44 44 LYS CA C 13 59.30 0.30 . 1 . . . . 44 LYS CA . 15209 1 488 . 1 1 44 44 LYS CB C 13 32.30 0.30 . 1 . . . . 44 LYS CB . 15209 1 489 . 1 1 44 44 LYS N N 15 118.20 0.06 . 1 . . . . 44 LYS N . 15209 1 490 . 1 1 45 45 ASP H H 1 7.38 0.01 . 1 . . . . 45 ASP H . 15209 1 491 . 1 1 45 45 ASP HA H 1 4.25 0.04 . 1 . . . . 45 ASP HA . 15209 1 492 . 1 1 45 45 ASP HB2 H 1 2.31 0.02 . 1 . . . . 45 ASP HB2 . 15209 1 493 . 1 1 45 45 ASP HB3 H 1 2.63 0.01 . 1 . . . . 45 ASP HB3 . 15209 1 494 . 1 1 45 45 ASP C C 13 177.80 0.20 . 1 . . . . 45 ASP C . 15209 1 495 . 1 1 45 45 ASP CA C 13 57.00 0.20 . 1 . . . . 45 ASP CA . 15209 1 496 . 1 1 45 45 ASP CB C 13 44.10 0.20 . 1 . . . . 45 ASP CB . 15209 1 497 . 1 1 45 45 ASP N N 15 117.00 0.02 . 1 . . . . 45 ASP N . 15209 1 498 . 1 1 46 46 GLY H H 1 7.32 0.01 . 1 . . . . 46 GLY H . 15209 1 499 . 1 1 46 46 GLY HA2 H 1 3.86 0.01 . 1 . . . . 46 GLY HA2 . 15209 1 500 . 1 1 46 46 GLY HA3 H 1 3.70 0.02 . 1 . . . . 46 GLY HA3 . 15209 1 501 . 1 1 46 46 GLY C C 13 174.60 0.30 . 1 . . . . 46 GLY C . 15209 1 502 . 1 1 46 46 GLY CA C 13 46.30 0.30 . 1 . . . . 46 GLY CA . 15209 1 503 . 1 1 46 46 GLY N N 15 103.60 0.30 . 1 . . . . 46 GLY N . 15209 1 504 . 1 1 47 47 LYS H H 1 7.70 0.03 . 1 . . . . 47 LYS H . 15209 1 505 . 1 1 47 47 LYS HA H 1 4.05 0.03 . 1 . . . . 47 LYS HA . 15209 1 506 . 1 1 47 47 LYS HB2 H 1 1.53 0.02 . 1 . . . . 47 LYS HB2 . 15209 1 507 . 1 1 47 47 LYS HB3 H 1 1.53 0.02 . 1 . . . . 47 LYS HB3 . 15209 1 508 . 1 1 47 47 LYS C C 13 177.80 0.20 . 1 . . . . 47 LYS C . 15209 1 509 . 1 1 47 47 LYS CA C 13 58.40 0.20 . 1 . . . . 47 LYS CA . 15209 1 510 . 1 1 47 47 LYS CB C 13 34.10 0.20 . 1 . . . . 47 LYS CB . 15209 1 511 . 1 1 47 47 LYS N N 15 119.90 0.02 . 1 . . . . 47 LYS N . 15209 1 512 . 1 1 48 48 LEU H H 1 9.31 0.04 . 1 . . . . 48 LEU H . 15209 1 513 . 1 1 48 48 LEU HA H 1 3.75 0.02 . 1 . . . . 48 LEU HA . 15209 1 514 . 1 1 48 48 LEU HB2 H 1 1.16 0.02 . 2 . . . . 48 LEU HB2 . 15209 1 515 . 1 1 48 48 LEU HB3 H 1 1.16 0.02 . 2 . . . . 48 LEU HB3 . 15209 1 516 . 1 1 48 48 LEU HG H 1 1.10 0.01 . 1 . . . . 48 LEU HG . 15209 1 517 . 1 1 48 48 LEU HD11 H 1 0.52 0.02 . 1 . . . . 48 LEU HD1 . 15209 1 518 . 1 1 48 48 LEU HD12 H 1 0.52 0.02 . 1 . . . . 48 LEU HD1 . 15209 1 519 . 1 1 48 48 LEU HD13 H 1 0.52 0.02 . 1 . . . . 48 LEU HD1 . 15209 1 520 . 1 1 48 48 LEU HD21 H 1 -0.35 0.01 . 1 . . . . 48 LEU HD2 . 15209 1 521 . 1 1 48 48 LEU HD22 H 1 -0.35 0.01 . 1 . . . . 48 LEU HD2 . 15209 1 522 . 1 1 48 48 LEU HD23 H 1 -0.35 0.01 . 1 . . . . 48 LEU HD2 . 15209 1 523 . 1 1 48 48 LEU C C 13 175.00 0.20 . 1 . . . . 48 LEU C . 15209 1 524 . 1 1 48 48 LEU CA C 13 55.20 0.20 . 1 . . . . 48 LEU CA . 15209 1 525 . 1 1 48 48 LEU CB C 13 43.70 0.20 . 1 . . . . 48 LEU CB . 15209 1 526 . 1 1 48 48 LEU CG C 13 26.60 0.20 . 1 . . . . 48 LEU CG . 15209 1 527 . 1 1 48 48 LEU CD1 C 13 24.00 0.50 . 1 . . . . 48 LEU CD1 . 15209 1 528 . 1 1 48 48 LEU CD2 C 13 25.40 0.20 . 1 . . . . 48 LEU CD2 . 15209 1 529 . 1 1 48 48 LEU N N 15 124.90 0.01 . 1 . . . . 48 LEU N . 15209 1 530 . 1 1 49 49 GLN H H 1 8.57 0.02 . 1 . . . . 49 GLN H . 15209 1 531 . 1 1 49 49 GLN HA H 1 4.38 0.01 . 1 . . . . 49 GLN HA . 15209 1 532 . 1 1 49 49 GLN HB2 H 1 1.86 0.10 . 2 . . . . 49 GLN HB2 . 15209 1 533 . 1 1 49 49 GLN HB3 H 1 1.68 0.01 . 2 . . . . 49 GLN HB3 . 15209 1 534 . 1 1 49 49 GLN HG2 H 1 2.15 0.01 . 2 . . . . 49 GLN HG2 . 15209 1 535 . 1 1 49 49 GLN HG3 H 1 2.06 0.01 . 2 . . . . 49 GLN HG3 . 15209 1 536 . 1 1 49 49 GLN HE21 H 1 7.16 0.01 . 1 . . . . 49 GLN HE21 . 15209 1 537 . 1 1 49 49 GLN HE22 H 1 6.66 0.01 . 1 . . . . 49 GLN HE22 . 15209 1 538 . 1 1 49 49 GLN C C 13 175.10 0.20 . 1 . . . . 49 GLN C . 15209 1 539 . 1 1 49 49 GLN CA C 13 53.50 0.20 . 1 . . . . 49 GLN CA . 15209 1 540 . 1 1 49 49 GLN CB C 13 33.30 0.20 . 1 . . . . 49 GLN CB . 15209 1 541 . 1 1 49 49 GLN N N 15 123.40 0.13 . 1 . . . . 49 GLN N . 15209 1 542 . 1 1 49 49 GLN NE2 N 15 114.00 0.05 . 1 . . . . 49 GLN NE2 . 15209 1 543 . 1 1 50 50 ILE H H 1 8.32 0.01 . 1 . . . . 50 ILE H . 15209 1 544 . 1 1 50 50 ILE HA H 1 3.18 0.01 . 1 . . . . 50 ILE HA . 15209 1 545 . 1 1 50 50 ILE HB H 1 1.51 0.02 . 1 . . . . 50 ILE HB . 15209 1 546 . 1 1 50 50 ILE HG12 H 1 0.64 0.01 . 1 . . . . 50 ILE HG12 . 15209 1 547 . 1 1 50 50 ILE HG13 H 1 0.64 0.01 . 1 . . . . 50 ILE HG13 . 15209 1 548 . 1 1 50 50 ILE HG21 H 1 0.73 0.01 . 1 . . . . 50 ILE HG2 . 15209 1 549 . 1 1 50 50 ILE HG22 H 1 0.73 0.01 . 1 . . . . 50 ILE HG2 . 15209 1 550 . 1 1 50 50 ILE HG23 H 1 0.73 0.01 . 1 . . . . 50 ILE HG2 . 15209 1 551 . 1 1 50 50 ILE HD11 H 1 0.78 0.01 . 1 . . . . 50 ILE HD1 . 15209 1 552 . 1 1 50 50 ILE HD12 H 1 0.78 0.01 . 1 . . . . 50 ILE HD1 . 15209 1 553 . 1 1 50 50 ILE HD13 H 1 0.78 0.01 . 1 . . . . 50 ILE HD1 . 15209 1 554 . 1 1 50 50 ILE C C 13 177.80 0.20 . 1 . . . . 50 ILE C . 15209 1 555 . 1 1 50 50 ILE CA C 13 63.80 0.11 . 1 . . . . 50 ILE CA . 15209 1 556 . 1 1 50 50 ILE CB C 13 37.70 0.20 . 1 . . . . 50 ILE CB . 15209 1 557 . 1 1 50 50 ILE CG2 C 13 17.00 0.20 . 1 . . . . 50 ILE CG2 . 15209 1 558 . 1 1 50 50 ILE CD1 C 13 13.10 0.20 . 1 . . . . 50 ILE CD1 . 15209 1 559 . 1 1 50 50 ILE N N 15 120.30 0.06 . 1 . . . . 50 ILE N . 15209 1 560 . 1 1 51 51 GLY H H 1 9.07 0.01 . 1 . . . . 51 GLY H . 15209 1 561 . 1 1 51 51 GLY HA2 H 1 4.36 0.01 . 2 . . . . 51 GLY HA2 . 15209 1 562 . 1 1 51 51 GLY HA3 H 1 3.52 0.01 . 2 . . . . 51 GLY HA3 . 15209 1 563 . 1 1 51 51 GLY C C 13 174.20 0.10 . 1 . . . . 51 GLY C . 15209 1 564 . 1 1 51 51 GLY CA C 13 44.50 0.10 . 1 . . . . 51 GLY CA . 15209 1 565 . 1 1 51 51 GLY N N 15 117.00 0.03 . 1 . . . . 51 GLY N . 15209 1 566 . 1 1 52 52 ASP H H 1 7.75 0.01 . 1 . . . . 52 ASP H . 15209 1 567 . 1 1 52 52 ASP HA H 1 4.47 0.01 . 1 . . . . 52 ASP HA . 15209 1 568 . 1 1 52 52 ASP HB2 H 1 2.45 0.01 . 1 . . . . 52 ASP HB2 . 15209 1 569 . 1 1 52 52 ASP HB3 H 1 2.05 0.01 . 1 . . . . 52 ASP HB3 . 15209 1 570 . 1 1 52 52 ASP C C 13 174.70 0.20 . 1 . . . . 52 ASP C . 15209 1 571 . 1 1 52 52 ASP CA C 13 55.80 0.20 . 1 . . . . 52 ASP CA . 15209 1 572 . 1 1 52 52 ASP CB C 13 40.40 0.20 . 1 . . . . 52 ASP CB . 15209 1 573 . 1 1 52 52 ASP N N 15 122.00 0.09 . 1 . . . . 52 ASP N . 15209 1 574 . 1 1 53 53 LYS H H 1 8.23 0.01 . 1 . . . . 53 LYS H . 15209 1 575 . 1 1 53 53 LYS HA H 1 4.56 0.01 . 1 . . . . 53 LYS HA . 15209 1 576 . 1 1 53 53 LYS HB2 H 1 1.55 0.01 . 1 . . . . 53 LYS HB2 . 15209 1 577 . 1 1 53 53 LYS HB3 H 1 1.55 0.01 . 1 . . . . 53 LYS HB3 . 15209 1 578 . 1 1 53 53 LYS HG2 H 1 0.78 0.01 . 2 . . . . 53 LYS HG2 . 15209 1 579 . 1 1 53 53 LYS HG3 H 1 0.78 0.01 . 2 . . . . 53 LYS HG3 . 15209 1 580 . 1 1 53 53 LYS HD2 H 1 1.40 0.01 . 2 . . . . 53 LYS HD2 . 15209 1 581 . 1 1 53 53 LYS HD3 H 1 1.40 0.01 . 2 . . . . 53 LYS HD3 . 15209 1 582 . 1 1 53 53 LYS HE2 H 1 2.61 0.01 . 2 . . . . 53 LYS HE2 . 15209 1 583 . 1 1 53 53 LYS HE3 H 1 2.61 0.01 . 2 . . . . 53 LYS HE3 . 15209 1 584 . 1 1 53 53 LYS C C 13 176.40 0.20 . 1 . . . . 53 LYS C . 15209 1 585 . 1 1 53 53 LYS CA C 13 54.00 0.20 . 1 . . . . 53 LYS CA . 15209 1 586 . 1 1 53 53 LYS CB C 13 35.20 0.20 . 1 . . . . 53 LYS CB . 15209 1 587 . 1 1 53 53 LYS N N 15 121.60 0.20 . 1 . . . . 53 LYS N . 15209 1 588 . 1 1 54 54 LEU H H 1 8.35 0.01 . 1 . . . . 54 LEU H . 15209 1 589 . 1 1 54 54 LEU HA H 1 4.35 0.01 . 1 . . . . 54 LEU HA . 15209 1 590 . 1 1 54 54 LEU HB2 H 1 1.30 0.01 . 2 . . . . 54 LEU HB2 . 15209 1 591 . 1 1 54 54 LEU HB3 H 1 1.07 0.02 . 2 . . . . 54 LEU HB3 . 15209 1 592 . 1 1 54 54 LEU HD11 H 1 0.69 0.01 . 1 . . . . 54 LEU HD1 . 15209 1 593 . 1 1 54 54 LEU HD12 H 1 0.69 0.01 . 1 . . . . 54 LEU HD1 . 15209 1 594 . 1 1 54 54 LEU HD13 H 1 0.69 0.01 . 1 . . . . 54 LEU HD1 . 15209 1 595 . 1 1 54 54 LEU HD21 H 1 0.51 0.01 . 1 . . . . 54 LEU HD2 . 15209 1 596 . 1 1 54 54 LEU HD22 H 1 0.51 0.01 . 1 . . . . 54 LEU HD2 . 15209 1 597 . 1 1 54 54 LEU HD23 H 1 0.51 0.01 . 1 . . . . 54 LEU HD2 . 15209 1 598 . 1 1 54 54 LEU C C 13 174.70 0.10 . 1 . . . . 54 LEU C . 15209 1 599 . 1 1 54 54 LEU CA C 13 54.00 0.20 . 1 . . . . 54 LEU CA . 15209 1 600 . 1 1 54 54 LEU CB C 13 42.80 0.10 . 1 . . . . 54 LEU CB . 15209 1 601 . 1 1 54 54 LEU CD1 C 13 26.40 0.31 . 1 . . . . 54 LEU CD1 . 15209 1 602 . 1 1 54 54 LEU CD2 C 13 24.30 0.20 . 1 . . . . 54 LEU CD2 . 15209 1 603 . 1 1 54 54 LEU N N 15 125.30 0.03 . 1 . . . . 54 LEU N . 15209 1 604 . 1 1 55 55 LEU H H 1 8.93 0.01 . 1 . . . . 55 LEU H . 15209 1 605 . 1 1 55 55 LEU HA H 1 4.17 0.01 . 1 . . . . 55 LEU HA . 15209 1 606 . 1 1 55 55 LEU HB2 H 1 1.30 0.01 . 1 . . . . 55 LEU HB2 . 15209 1 607 . 1 1 55 55 LEU HB3 H 1 1.30 0.01 . 1 . . . . 55 LEU HB3 . 15209 1 608 . 1 1 55 55 LEU HD11 H 1 0.62 0.01 . 2 . . . . 55 LEU HD1 . 15209 1 609 . 1 1 55 55 LEU HD12 H 1 0.62 0.01 . 2 . . . . 55 LEU HD1 . 15209 1 610 . 1 1 55 55 LEU HD13 H 1 0.62 0.01 . 2 . . . . 55 LEU HD1 . 15209 1 611 . 1 1 55 55 LEU HD21 H 1 0.62 0.01 . 2 . . . . 55 LEU HD2 . 15209 1 612 . 1 1 55 55 LEU HD22 H 1 0.62 0.01 . 2 . . . . 55 LEU HD2 . 15209 1 613 . 1 1 55 55 LEU HD23 H 1 0.62 0.01 . 2 . . . . 55 LEU HD2 . 15209 1 614 . 1 1 55 55 LEU C C 13 178.90 179.00 . 1 . . . . 55 LEU C . 15209 1 615 . 1 1 55 55 LEU CA C 13 55.50 0.10 . 1 . . . . 55 LEU CA . 15209 1 616 . 1 1 55 55 LEU CB C 13 42.60 0.20 . 1 . . . . 55 LEU CB . 15209 1 617 . 1 1 55 55 LEU CD1 C 13 25.20 0.20 . 1 . . . . 55 LEU CD1 . 15209 1 618 . 1 1 55 55 LEU CD2 C 13 22.60 0.20 . 1 . . . . 55 LEU CD2 . 15209 1 619 . 1 1 55 55 LEU N N 15 122.00 0.05 . 1 . . . . 55 LEU N . 15209 1 620 . 1 1 56 56 ALA H H 1 7.80 0.02 . 1 . . . . 56 ALA H . 15209 1 621 . 1 1 56 56 ALA HA H 1 4.89 0.01 . 1 . . . . 56 ALA HA . 15209 1 622 . 1 1 56 56 ALA HB1 H 1 1.11 0.02 . 1 . . . . 56 ALA HB . 15209 1 623 . 1 1 56 56 ALA HB2 H 1 1.11 0.02 . 1 . . . . 56 ALA HB . 15209 1 624 . 1 1 56 56 ALA HB3 H 1 1.11 0.02 . 1 . . . . 56 ALA HB . 15209 1 625 . 1 1 56 56 ALA C C 13 175.20 0.20 . 1 . . . . 56 ALA C . 15209 1 626 . 1 1 56 56 ALA CA C 13 52.10 0.20 . 1 . . . . 56 ALA CA . 15209 1 627 . 1 1 56 56 ALA CB C 13 22.50 0.10 . 1 . . . . 56 ALA CB . 15209 1 628 . 1 1 56 56 ALA N N 15 120.50 0.10 . 1 . . . . 56 ALA N . 15209 1 629 . 1 1 57 57 VAL H H 1 8.36 0.01 . 1 . . . . 57 VAL H . 15209 1 630 . 1 1 57 57 VAL HA H 1 4.78 0.01 . 1 . . . . 57 VAL HA . 15209 1 631 . 1 1 57 57 VAL HB H 1 1.62 0.01 . 1 . . . . 57 VAL HB . 15209 1 632 . 1 1 57 57 VAL HG11 H 1 0.72 0.01 . 2 . . . . 57 VAL HG1 . 15209 1 633 . 1 1 57 57 VAL HG12 H 1 0.72 0.01 . 2 . . . . 57 VAL HG1 . 15209 1 634 . 1 1 57 57 VAL HG13 H 1 0.72 0.01 . 2 . . . . 57 VAL HG1 . 15209 1 635 . 1 1 57 57 VAL HG21 H 1 0.72 0.01 . 2 . . . . 57 VAL HG2 . 15209 1 636 . 1 1 57 57 VAL HG22 H 1 0.72 0.01 . 2 . . . . 57 VAL HG2 . 15209 1 637 . 1 1 57 57 VAL HG23 H 1 0.72 0.01 . 2 . . . . 57 VAL HG2 . 15209 1 638 . 1 1 57 57 VAL C C 13 173.70 0.10 . 1 . . . . 57 VAL C . 15209 1 639 . 1 1 57 57 VAL CA C 13 59.00 0.20 . 1 . . . . 57 VAL CA . 15209 1 640 . 1 1 57 57 VAL CB C 13 33.80 0.10 . 1 . . . . 57 VAL CB . 15209 1 641 . 1 1 57 57 VAL CG1 C 13 22.00 0.20 . 1 . . . . 57 VAL CG1 . 15209 1 642 . 1 1 57 57 VAL CG2 C 13 22.00 0.20 . 1 . . . . 57 VAL CG2 . 15209 1 643 . 1 1 57 57 VAL N N 15 117.00 0.10 . 1 . . . . 57 VAL N . 15209 1 644 . 1 1 58 58 ASN H H 1 9.79 0.01 . 1 . . . . 58 ASN H . 15209 1 645 . 1 1 58 58 ASN HA H 1 4.33 0.04 . 1 . . . . 58 ASN HA . 15209 1 646 . 1 1 58 58 ASN HB2 H 1 3.07 0.01 . 1 . . . . 58 ASN HB2 . 15209 1 647 . 1 1 58 58 ASN HB3 H 1 2.91 0.01 . 1 . . . . 58 ASN HB3 . 15209 1 648 . 1 1 58 58 ASN HD21 H 1 7.95 0.03 . 2 . . . . 58 ASN HD21 . 15209 1 649 . 1 1 58 58 ASN HD22 H 1 7.06 0.01 . 2 . . . . 58 ASN HD22 . 15209 1 650 . 1 1 58 58 ASN C C 13 174.70 0.20 . 1 . . . . 58 ASN C . 15209 1 651 . 1 1 58 58 ASN CA C 13 55.00 0.20 . 1 . . . . 58 ASN CA . 15209 1 652 . 1 1 58 58 ASN CB C 13 36.30 0.20 . 1 . . . . 58 ASN CB . 15209 1 653 . 1 1 58 58 ASN N N 15 128.20 0.10 . 1 . . . . 58 ASN N . 15209 1 654 . 1 1 58 58 ASN ND2 N 15 112.20 0.16 . 1 . . . . 58 ASN ND2 . 15209 1 655 . 1 1 59 59 ASN HA H 1 4.38 0.01 . 1 . . . . 59 ASN HA . 15209 1 656 . 1 1 59 59 ASN HB2 H 1 2.83 0.01 . 1 . . . . 59 ASN HB2 . 15209 1 657 . 1 1 59 59 ASN HB3 H 1 2.83 0.01 . 1 . . . . 59 ASN HB3 . 15209 1 658 . 1 1 59 59 ASN HD21 H 1 7.50 0.03 . 2 . . . . 59 ASN HD21 . 15209 1 659 . 1 1 59 59 ASN HD22 H 1 6.81 0.01 . 2 . . . . 59 ASN HD22 . 15209 1 660 . 1 1 59 59 ASN C C 13 174.40 0.10 . 1 . . . . 59 ASN C . 15209 1 661 . 1 1 59 59 ASN CA C 13 54.20 0.10 . 1 . . . . 59 ASN CA . 15209 1 662 . 1 1 59 59 ASN CB C 13 38.10 0.10 . 1 . . . . 59 ASN CB . 15209 1 663 . 1 1 59 59 ASN ND2 N 15 113.50 0.03 . 1 . . . . 59 ASN ND2 . 15209 1 664 . 1 1 60 60 VAL H H 1 8.66 0.01 . 1 . . . . 60 VAL H . 15209 1 665 . 1 1 60 60 VAL HA H 1 3.86 0.01 . 1 . . . . 60 VAL HA . 15209 1 666 . 1 1 60 60 VAL HB H 1 2.21 0.01 . 1 . . . . 60 VAL HB . 15209 1 667 . 1 1 60 60 VAL HG11 H 1 0.70 0.01 . 1 . . . . 60 VAL HG1 . 15209 1 668 . 1 1 60 60 VAL HG12 H 1 0.70 0.01 . 1 . . . . 60 VAL HG1 . 15209 1 669 . 1 1 60 60 VAL HG13 H 1 0.70 0.01 . 1 . . . . 60 VAL HG1 . 15209 1 670 . 1 1 60 60 VAL HG21 H 1 0.84 0.02 . 1 . . . . 60 VAL HG2 . 15209 1 671 . 1 1 60 60 VAL HG22 H 1 0.84 0.02 . 1 . . . . 60 VAL HG2 . 15209 1 672 . 1 1 60 60 VAL HG23 H 1 0.84 0.02 . 1 . . . . 60 VAL HG2 . 15209 1 673 . 1 1 60 60 VAL C C 13 175.00 0.20 . 1 . . . . 60 VAL C . 15209 1 674 . 1 1 60 60 VAL CA C 13 62.80 0.20 . 1 . . . . 60 VAL CA . 15209 1 675 . 1 1 60 60 VAL CB C 13 28.00 0.20 . 1 . . . . 60 VAL CB . 15209 1 676 . 1 1 60 60 VAL CG1 C 13 20.40 0.20 . 1 . . . . 60 VAL CG1 . 15209 1 677 . 1 1 60 60 VAL CG2 C 13 20.60 0.10 . 1 . . . . 60 VAL CG2 . 15209 1 678 . 1 1 60 60 VAL N N 15 124.40 0.05 . 1 . . . . 60 VAL N . 15209 1 679 . 1 1 61 61 CYS H H 1 8.57 0.01 . 1 . . . . 61 CYS H . 15209 1 680 . 1 1 61 61 CYS HA H 1 4.01 0.01 . 1 . . . . 61 CYS HA . 15209 1 681 . 1 1 61 61 CYS HB2 H 1 2.71 0.01 . 1 . . . . 61 CYS HB2 . 15209 1 682 . 1 1 61 61 CYS HB3 H 1 3.06 0.01 . 1 . . . . 61 CYS HB3 . 15209 1 683 . 1 1 61 61 CYS C C 13 174.90 0.10 . 1 . . . . 61 CYS C . 15209 1 684 . 1 1 61 61 CYS CA C 13 60.10 0.20 . 1 . . . . 61 CYS CA . 15209 1 685 . 1 1 61 61 CYS CB C 13 27.80 0.20 . 1 . . . . 61 CYS CB . 15209 1 686 . 1 1 61 61 CYS N N 15 127.90 0.04 . 1 . . . . 61 CYS N . 15209 1 687 . 1 1 62 62 LEU H H 1 8.12 0.01 . 1 . . . . 62 LEU H . 15209 1 688 . 1 1 62 62 LEU HA H 1 4.52 0.00 . 1 . . . . 62 LEU HA . 15209 1 689 . 1 1 62 62 LEU HB2 H 1 0.98 0.01 . 1 . . . . 62 LEU HB2 . 15209 1 690 . 1 1 62 62 LEU HB3 H 1 1.53 0.03 . 1 . . . . 62 LEU HB3 . 15209 1 691 . 1 1 62 62 LEU HD11 H 1 0.50 0.00 . 1 . . . . 62 LEU HD1 . 15209 1 692 . 1 1 62 62 LEU HD12 H 1 0.50 0.00 . 1 . . . . 62 LEU HD1 . 15209 1 693 . 1 1 62 62 LEU HD13 H 1 0.50 0.00 . 1 . . . . 62 LEU HD1 . 15209 1 694 . 1 1 62 62 LEU HD21 H 1 0.58 0.01 . 1 . . . . 62 LEU HD2 . 15209 1 695 . 1 1 62 62 LEU HD22 H 1 0.58 0.01 . 1 . . . . 62 LEU HD2 . 15209 1 696 . 1 1 62 62 LEU HD23 H 1 0.58 0.01 . 1 . . . . 62 LEU HD2 . 15209 1 697 . 1 1 62 62 LEU C C 13 176.00 0.30 . 1 . . . . 62 LEU C . 15209 1 698 . 1 1 62 62 LEU CA C 13 53.60 0.20 . 1 . . . . 62 LEU CA . 15209 1 699 . 1 1 62 62 LEU CB C 13 41.70 0.20 . 1 . . . . 62 LEU CB . 15209 1 700 . 1 1 62 62 LEU CD1 C 13 26.00 0.10 . 1 . . . . 62 LEU CD1 . 15209 1 701 . 1 1 62 62 LEU CD2 C 13 22.80 0.10 . 1 . . . . 62 LEU CD2 . 15209 1 702 . 1 1 62 62 LEU N N 15 126.60 0.04 . 1 . . . . 62 LEU N . 15209 1 703 . 1 1 63 63 GLU H H 1 8.02 0.01 . 1 . . . . 63 GLU H . 15209 1 704 . 1 1 63 63 GLU HA H 1 4.31 0.04 . 1 . . . . 63 GLU HA . 15209 1 705 . 1 1 63 63 GLU HB2 H 1 1.86 0.01 . 2 . . . . 63 GLU HB2 . 15209 1 706 . 1 1 63 63 GLU HB3 H 1 1.86 0.01 . 2 . . . . 63 GLU HB3 . 15209 1 707 . 1 1 63 63 GLU HG2 H 1 2.27 0.01 . 2 . . . . 63 GLU HG2 . 15209 1 708 . 1 1 63 63 GLU HG3 H 1 2.27 0.01 . 2 . . . . 63 GLU HG3 . 15209 1 709 . 1 1 63 63 GLU C C 13 174.80 0.10 . 1 . . . . 63 GLU C . 15209 1 710 . 1 1 63 63 GLU CA C 13 57.20 0.10 . 1 . . . . 63 GLU CA . 15209 1 711 . 1 1 63 63 GLU CB C 13 31.30 0.10 . 1 . . . . 63 GLU CB . 15209 1 712 . 1 1 63 63 GLU N N 15 122.90 0.03 . 1 . . . . 63 GLU N . 15209 1 713 . 1 1 64 64 GLU H H 1 8.57 0.01 . 1 . . . . 64 GLU H . 15209 1 714 . 1 1 64 64 GLU HA H 1 3.51 0.02 . 1 . . . . 64 GLU HA . 15209 1 715 . 1 1 64 64 GLU HB2 H 1 1.94 0.02 . 2 . . . . 64 GLU HB2 . 15209 1 716 . 1 1 64 64 GLU HB3 H 1 1.94 0.02 . 2 . . . . 64 GLU HB3 . 15209 1 717 . 1 1 64 64 GLU HG2 H 1 2.19 0.01 . 2 . . . . 64 GLU HG2 . 15209 1 718 . 1 1 64 64 GLU HG3 H 1 1.95 0.01 . 2 . . . . 64 GLU HG3 . 15209 1 719 . 1 1 64 64 GLU C C 13 175.00 0.20 . 1 . . . . 64 GLU C . 15209 1 720 . 1 1 64 64 GLU CA C 13 55.90 0.20 . 1 . . . . 64 GLU CA . 15209 1 721 . 1 1 64 64 GLU CB C 13 26.80 0.20 . 1 . . . . 64 GLU CB . 15209 1 722 . 1 1 64 64 GLU CG C 13 35.20 0.20 . 1 . . . . 64 GLU CG . 15209 1 723 . 1 1 64 64 GLU N N 15 122.10 0.06 . 1 . . . . 64 GLU N . 15209 1 724 . 1 1 65 65 VAL H H 1 8.57 0.01 . 1 . . . . 65 VAL H . 15209 1 725 . 1 1 65 65 VAL HA H 1 4.76 0.01 . 1 . . . . 65 VAL HA . 15209 1 726 . 1 1 65 65 VAL HB H 1 2.24 0.02 . 1 . . . . 65 VAL HB . 15209 1 727 . 1 1 65 65 VAL HG11 H 1 0.67 0.02 . 1 . . . . 65 VAL HG1 . 15209 1 728 . 1 1 65 65 VAL HG12 H 1 0.67 0.02 . 1 . . . . 65 VAL HG1 . 15209 1 729 . 1 1 65 65 VAL HG13 H 1 0.67 0.02 . 1 . . . . 65 VAL HG1 . 15209 1 730 . 1 1 65 65 VAL HG21 H 1 0.57 0.01 . 1 . . . . 65 VAL HG2 . 15209 1 731 . 1 1 65 65 VAL HG22 H 1 0.57 0.01 . 1 . . . . 65 VAL HG2 . 15209 1 732 . 1 1 65 65 VAL HG23 H 1 0.57 0.01 . 1 . . . . 65 VAL HG2 . 15209 1 733 . 1 1 65 65 VAL C C 13 176.70 0.20 . 1 . . . . 65 VAL C . 15209 1 734 . 1 1 65 65 VAL CA C 13 58.20 0.20 . 1 . . . . 65 VAL CA . 15209 1 735 . 1 1 65 65 VAL CB C 13 34.60 0.20 . 1 . . . . 65 VAL CB . 15209 1 736 . 1 1 65 65 VAL CG1 C 13 21.40 0.01 . 1 . . . . 65 VAL CG1 . 15209 1 737 . 1 1 65 65 VAL CG2 C 13 17.60 0.10 . 1 . . . . 65 VAL CG2 . 15209 1 738 . 1 1 65 65 VAL N N 15 113.30 0.20 . 1 . . . . 65 VAL N . 15209 1 739 . 1 1 66 66 THR H H 1 8.55 0.03 . 1 . . . . 66 THR H . 15209 1 740 . 1 1 66 66 THR HA H 1 4.50 0.01 . 1 . . . . 66 THR HA . 15209 1 741 . 1 1 66 66 THR HB H 1 4.71 0.02 . 1 . . . . 66 THR HB . 15209 1 742 . 1 1 66 66 THR HG21 H 1 1.20 0.01 . 1 . . . . 66 THR HG2 . 15209 1 743 . 1 1 66 66 THR HG22 H 1 1.20 0.01 . 1 . . . . 66 THR HG2 . 15209 1 744 . 1 1 66 66 THR HG23 H 1 1.20 0.01 . 1 . . . . 66 THR HG2 . 15209 1 745 . 1 1 66 66 THR C C 13 174.90 0.20 . 1 . . . . 66 THR C . 15209 1 746 . 1 1 66 66 THR CA C 13 61.60 0.20 . 1 . . . . 66 THR CA . 15209 1 747 . 1 1 66 66 THR CB C 13 70.70 0.20 . 1 . . . . 66 THR CB . 15209 1 748 . 1 1 66 66 THR CG2 C 13 21.50 0.10 . 1 . . . . 66 THR CG2 . 15209 1 749 . 1 1 66 66 THR N N 15 111.10 0.10 . 1 . . . . 66 THR N . 15209 1 750 . 1 1 67 67 HIS H H 1 9.54 0.01 . 1 . . . . 67 HIS H . 15209 1 751 . 1 1 67 67 HIS HA H 1 3.75 0.02 . 1 . . . . 67 HIS HA . 15209 1 752 . 1 1 67 67 HIS HB2 H 1 2.91 0.01 . 1 . . . . 67 HIS HB2 . 15209 1 753 . 1 1 67 67 HIS HB3 H 1 3.35 0.01 . 1 . . . . 67 HIS HB3 . 15209 1 754 . 1 1 67 67 HIS HD2 H 1 6.38 0.01 . 1 . . . . 67 HIS HD2 . 15209 1 755 . 1 1 67 67 HIS HE1 H 1 7.61 0.01 . 1 . . . . 67 HIS HE1 . 15209 1 756 . 1 1 67 67 HIS C C 13 177.10 0.20 . 1 . . . . 67 HIS C . 15209 1 757 . 1 1 67 67 HIS CA C 13 61.20 0.20 . 1 . . . . 67 HIS CA . 15209 1 758 . 1 1 67 67 HIS CB C 13 28.80 0.20 . 1 . . . . 67 HIS CB . 15209 1 759 . 1 1 67 67 HIS CD2 C 13 128.20 0.20 . 1 . . . . 67 HIS CD2 . 15209 1 760 . 1 1 67 67 HIS CE1 C 13 137.30 0.20 . 1 . . . . 67 HIS CE1 . 15209 1 761 . 1 1 67 67 HIS N N 15 121.30 0.10 . 1 . . . . 67 HIS N . 15209 1 762 . 1 1 68 68 GLU H H 1 8.69 0.02 . 1 . . . . 68 GLU H . 15209 1 763 . 1 1 68 68 GLU HA H 1 3.77 0.01 . 1 . . . . 68 GLU HA . 15209 1 764 . 1 1 68 68 GLU HB2 H 1 1.90 0.02 . 1 . . . . 68 GLU HB2 . 15209 1 765 . 1 1 68 68 GLU HB3 H 1 1.90 0.02 . 1 . . . . 68 GLU HB3 . 15209 1 766 . 1 1 68 68 GLU HG2 H 1 2.34 0.02 . 2 . . . . 68 GLU HG2 . 15209 1 767 . 1 1 68 68 GLU HG3 H 1 2.20 0.02 . 2 . . . . 68 GLU HG3 . 15209 1 768 . 1 1 68 68 GLU C C 13 179.50 0.20 . 1 . . . . 68 GLU C . 15209 1 769 . 1 1 68 68 GLU CA C 13 59.90 0.10 . 1 . . . . 68 GLU CA . 15209 1 770 . 1 1 68 68 GLU CB C 13 29.10 0.10 . 1 . . . . 68 GLU CB . 15209 1 771 . 1 1 68 68 GLU CG C 13 36.60 0.20 . 1 . . . . 68 GLU CG . 15209 1 772 . 1 1 68 68 GLU N N 15 114.80 0.10 . 1 . . . . 68 GLU N . 15209 1 773 . 1 1 69 69 GLU H H 1 7.73 0.02 . 1 . . . . 69 GLU H . 15209 1 774 . 1 1 69 69 GLU HA H 1 3.78 0.01 . 1 . . . . 69 GLU HA . 15209 1 775 . 1 1 69 69 GLU HB2 H 1 2.23 0.04 . 2 . . . . 69 GLU HB2 . 15209 1 776 . 1 1 69 69 GLU HB3 H 1 1.72 0.02 . 2 . . . . 69 GLU HB3 . 15209 1 777 . 1 1 69 69 GLU HG2 H 1 1.94 0.01 . 1 . . . . 69 GLU HG2 . 15209 1 778 . 1 1 69 69 GLU HG3 H 1 1.94 0.01 . 1 . . . . 69 GLU HG3 . 15209 1 779 . 1 1 69 69 GLU C C 13 179.80 0.10 . 1 . . . . 69 GLU C . 15209 1 780 . 1 1 69 69 GLU CA C 13 59.50 0.10 . 1 . . . . 69 GLU CA . 15209 1 781 . 1 1 69 69 GLU CB C 13 30.20 0.20 . 1 . . . . 69 GLU CB . 15209 1 782 . 1 1 69 69 GLU N N 15 120.50 0.05 . 1 . . . . 69 GLU N . 15209 1 783 . 1 1 70 70 ALA H H 1 7.75 0.01 . 1 . . . . 70 ALA H . 15209 1 784 . 1 1 70 70 ALA HA H 1 3.75 0.02 . 1 . . . . 70 ALA HA . 15209 1 785 . 1 1 70 70 ALA HB1 H 1 1.09 0.01 . 1 . . . . 70 ALA HB . 15209 1 786 . 1 1 70 70 ALA HB2 H 1 1.09 0.01 . 1 . . . . 70 ALA HB . 15209 1 787 . 1 1 70 70 ALA HB3 H 1 1.09 0.01 . 1 . . . . 70 ALA HB . 15209 1 788 . 1 1 70 70 ALA C C 13 178.30 0.20 . 1 . . . . 70 ALA C . 15209 1 789 . 1 1 70 70 ALA CA C 13 55.10 0.10 . 1 . . . . 70 ALA CA . 15209 1 790 . 1 1 70 70 ALA CB C 13 18.40 0.10 . 1 . . . . 70 ALA CB . 15209 1 791 . 1 1 70 70 ALA N N 15 122.90 0.04 . 1 . . . . 70 ALA N . 15209 1 792 . 1 1 71 71 VAL H H 1 8.19 0.02 . 1 . . . . 71 VAL H . 15209 1 793 . 1 1 71 71 VAL HA H 1 2.95 0.01 . 1 . . . . 71 VAL HA . 15209 1 794 . 1 1 71 71 VAL HB H 1 1.90 0.01 . 1 . . . . 71 VAL HB . 15209 1 795 . 1 1 71 71 VAL HG11 H 1 0.70 0.01 . 1 . . . . 71 VAL HG1 . 15209 1 796 . 1 1 71 71 VAL HG12 H 1 0.70 0.01 . 1 . . . . 71 VAL HG1 . 15209 1 797 . 1 1 71 71 VAL HG13 H 1 0.70 0.01 . 1 . . . . 71 VAL HG1 . 15209 1 798 . 1 1 71 71 VAL HG21 H 1 0.54 0.01 . 1 . . . . 71 VAL HG2 . 15209 1 799 . 1 1 71 71 VAL HG22 H 1 0.54 0.01 . 1 . . . . 71 VAL HG2 . 15209 1 800 . 1 1 71 71 VAL HG23 H 1 0.54 0.01 . 1 . . . . 71 VAL HG2 . 15209 1 801 . 1 1 71 71 VAL C C 13 177.90 0.10 . 1 . . . . 71 VAL C . 15209 1 802 . 1 1 71 71 VAL CA C 13 67.50 0.10 . 1 . . . . 71 VAL CA . 15209 1 803 . 1 1 71 71 VAL CB C 13 31.90 0.10 . 1 . . . . 71 VAL CB . 15209 1 804 . 1 1 71 71 VAL CG1 C 13 21.50 0.10 . 1 . . . . 71 VAL CG1 . 15209 1 805 . 1 1 71 71 VAL CG2 C 13 24.20 0.10 . 1 . . . . 71 VAL CG2 . 15209 1 806 . 1 1 71 71 VAL N N 15 117.70 0.04 . 1 . . . . 71 VAL N . 15209 1 807 . 1 1 72 72 THR H H 1 8.24 0.01 . 1 . . . . 72 THR H . 15209 1 808 . 1 1 72 72 THR HA H 1 3.56 0.01 . 1 . . . . 72 THR HA . 15209 1 809 . 1 1 72 72 THR HB H 1 4.00 0.01 . 1 . . . . 72 THR HB . 15209 1 810 . 1 1 72 72 THR HG21 H 1 1.05 0.01 . 1 . . . . 72 THR HG2 . 15209 1 811 . 1 1 72 72 THR HG22 H 1 1.05 0.01 . 1 . . . . 72 THR HG2 . 15209 1 812 . 1 1 72 72 THR HG23 H 1 1.05 0.01 . 1 . . . . 72 THR HG2 . 15209 1 813 . 1 1 72 72 THR C C 13 175.90 0.10 . 1 . . . . 72 THR C . 15209 1 814 . 1 1 72 72 THR CA C 13 66.50 0.20 . 1 . . . . 72 THR CA . 15209 1 815 . 1 1 72 72 THR CB C 13 68.80 0.30 . 1 . . . . 72 THR CB . 15209 1 816 . 1 1 72 72 THR CG2 C 13 21.20 0.10 . 1 . . . . 72 THR CG2 . 15209 1 817 . 1 1 72 72 THR N N 15 115.80 0.03 . 1 . . . . 72 THR N . 15209 1 818 . 1 1 73 73 ALA H H 1 7.58 0.02 . 1 . . . . 73 ALA H . 15209 1 819 . 1 1 73 73 ALA HA H 1 3.95 0.01 . 1 . . . . 73 ALA HA . 15209 1 820 . 1 1 73 73 ALA HB1 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 15209 1 821 . 1 1 73 73 ALA HB2 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 15209 1 822 . 1 1 73 73 ALA HB3 H 1 1.24 0.01 . 1 . . . . 73 ALA HB . 15209 1 823 . 1 1 73 73 ALA C C 13 179.50 0.10 . 1 . . . . 73 ALA C . 15209 1 824 . 1 1 73 73 ALA CA C 13 54.60 0.20 . 1 . . . . 73 ALA CA . 15209 1 825 . 1 1 73 73 ALA CB C 13 17.70 0.20 . 1 . . . . 73 ALA CB . 15209 1 826 . 1 1 73 73 ALA N N 15 121.90 0.03 . 1 . . . . 73 ALA N . 15209 1 827 . 1 1 74 74 LEU H H 1 7.74 0.01 . 1 . . . . 74 LEU H . 15209 1 828 . 1 1 74 74 LEU HA H 1 3.78 0.01 . 1 . . . . 74 LEU HA . 15209 1 829 . 1 1 74 74 LEU HB2 H 1 1.78 0.01 . 1 . . . . 74 LEU HB2 . 15209 1 830 . 1 1 74 74 LEU HB3 H 1 1.78 0.01 . 1 . . . . 74 LEU HB3 . 15209 1 831 . 1 1 74 74 LEU HG H 1 1.51 0.01 . 1 . . . . 74 LEU HG . 15209 1 832 . 1 1 74 74 LEU HD11 H 1 0.64 0.01 . 1 . . . . 74 LEU HD1 . 15209 1 833 . 1 1 74 74 LEU HD12 H 1 0.64 0.01 . 1 . . . . 74 LEU HD1 . 15209 1 834 . 1 1 74 74 LEU HD13 H 1 0.64 0.01 . 1 . . . . 74 LEU HD1 . 15209 1 835 . 1 1 74 74 LEU HD21 H 1 0.98 0.01 . 1 . . . . 74 LEU HD2 . 15209 1 836 . 1 1 74 74 LEU HD22 H 1 0.98 0.01 . 1 . . . . 74 LEU HD2 . 15209 1 837 . 1 1 74 74 LEU HD23 H 1 0.98 0.01 . 1 . . . . 74 LEU HD2 . 15209 1 838 . 1 1 74 74 LEU C C 13 179.00 0.10 . 1 . . . . 74 LEU C . 15209 1 839 . 1 1 74 74 LEU CA C 13 57.50 0.20 . 1 . . . . 74 LEU CA . 15209 1 840 . 1 1 74 74 LEU CB C 13 42.40 0.10 . 1 . . . . 74 LEU CB . 15209 1 841 . 1 1 74 74 LEU CD1 C 13 26.00 0.10 . 1 . . . . 74 LEU CD1 . 15209 1 842 . 1 1 74 74 LEU CD2 C 13 26.70 0.10 . 1 . . . . 74 LEU CD2 . 15209 1 843 . 1 1 74 74 LEU N N 15 116.00 0.01 . 1 . . . . 74 LEU N . 15209 1 844 . 1 1 75 75 LYS H H 1 8.48 0.01 . 1 . . . . 75 LYS H . 15209 1 845 . 1 1 75 75 LYS HA H 1 4.13 0.01 . 1 . . . . 75 LYS HA . 15209 1 846 . 1 1 75 75 LYS HB2 H 1 1.70 0.01 . 2 . . . . 75 LYS HB2 . 15209 1 847 . 1 1 75 75 LYS HB3 H 1 1.49 0.01 . 2 . . . . 75 LYS HB3 . 15209 1 848 . 1 1 75 75 LYS HE2 H 1 2.76 0.04 . 2 . . . . 75 LYS HE2 . 15209 1 849 . 1 1 75 75 LYS HE3 H 1 2.76 0.04 . 2 . . . . 75 LYS HE3 . 15209 1 850 . 1 1 75 75 LYS C C 13 178.30 0.10 . 1 . . . . 75 LYS C . 15209 1 851 . 1 1 75 75 LYS CA C 13 58.30 0.20 . 1 . . . . 75 LYS CA . 15209 1 852 . 1 1 75 75 LYS CB C 13 32.80 0.10 . 1 . . . . 75 LYS CB . 15209 1 853 . 1 1 75 75 LYS N N 15 119.90 0.07 . 1 . . . . 75 LYS N . 15209 1 854 . 1 1 76 76 ASN H H 1 7.64 0.01 . 1 . . . . 76 ASN H . 15209 1 855 . 1 1 76 76 ASN HA H 1 4.79 0.01 . 1 . . . . 76 ASN HA . 15209 1 856 . 1 1 76 76 ASN HB2 H 1 2.82 0.01 . 2 . . . . 76 ASN HB2 . 15209 1 857 . 1 1 76 76 ASN HB3 H 1 2.68 0.01 . 2 . . . . 76 ASN HB3 . 15209 1 858 . 1 1 76 76 ASN HD21 H 1 7.58 0.01 . 2 . . . . 76 ASN HD21 . 15209 1 859 . 1 1 76 76 ASN HD22 H 1 6.78 0.01 . 2 . . . . 76 ASN HD22 . 15209 1 860 . 1 1 76 76 ASN C C 13 175.20 0.10 . 1 . . . . 76 ASN C . 15209 1 861 . 1 1 76 76 ASN CA C 13 52.60 0.10 . 1 . . . . 76 ASN CA . 15209 1 862 . 1 1 76 76 ASN CB C 13 37.10 0.10 . 1 . . . . 76 ASN CB . 15209 1 863 . 1 1 76 76 ASN N N 15 120.40 0.10 . 1 . . . . 76 ASN N . 15209 1 864 . 1 1 76 76 ASN ND2 N 15 112.40 0.08 . 1 . . . . 76 ASN ND2 . 15209 1 865 . 1 1 77 77 THR H H 1 7.48 0.01 . 1 . . . . 77 THR H . 15209 1 866 . 1 1 77 77 THR HA H 1 4.30 0.02 . 1 . . . . 77 THR HA . 15209 1 867 . 1 1 77 77 THR HB H 1 4.01 0.01 . 1 . . . . 77 THR HB . 15209 1 868 . 1 1 77 77 THR HG21 H 1 1.09 0.02 . 1 . . . . 77 THR HG2 . 15209 1 869 . 1 1 77 77 THR HG22 H 1 1.09 0.02 . 1 . . . . 77 THR HG2 . 15209 1 870 . 1 1 77 77 THR HG23 H 1 1.09 0.02 . 1 . . . . 77 THR HG2 . 15209 1 871 . 1 1 77 77 THR C C 13 174.60 0.20 . 1 . . . . 77 THR C . 15209 1 872 . 1 1 77 77 THR CA C 13 59.90 0.10 . 1 . . . . 77 THR CA . 15209 1 873 . 1 1 77 77 THR CB C 13 71.90 0.10 . 1 . . . . 77 THR CB . 15209 1 874 . 1 1 77 77 THR CG2 C 13 21.80 0.20 . 1 . . . . 77 THR CG2 . 15209 1 875 . 1 1 77 77 THR N N 15 115.90 0.05 . 1 . . . . 77 THR N . 15209 1 876 . 1 1 78 78 SER H H 1 8.34 0.01 . 1 . . . . 78 SER H . 15209 1 877 . 1 1 78 78 SER HA H 1 4.37 0.01 . 1 . . . . 78 SER HA . 15209 1 878 . 1 1 78 78 SER HB2 H 1 3.76 0.01 . 1 . . . . 78 SER HB2 . 15209 1 879 . 1 1 78 78 SER HB3 H 1 3.76 0.01 . 1 . . . . 78 SER HB3 . 15209 1 880 . 1 1 78 78 SER C C 13 172.80 0.10 . 1 . . . . 78 SER C . 15209 1 881 . 1 1 78 78 SER CA C 13 57.60 0.10 . 1 . . . . 78 SER CA . 15209 1 882 . 1 1 78 78 SER CB C 13 64.00 0.10 . 1 . . . . 78 SER CB . 15209 1 883 . 1 1 78 78 SER N N 15 115.90 0.05 . 1 . . . . 78 SER N . 15209 1 884 . 1 1 79 79 ASP H H 1 8.31 0.02 . 1 . . . . 79 ASP H . 15209 1 885 . 1 1 79 79 ASP HA H 1 4.02 0.01 . 1 . . . . 79 ASP HA . 15209 1 886 . 1 1 79 79 ASP HB2 H 1 2.40 0.01 . 1 . . . . 79 ASP HB2 . 15209 1 887 . 1 1 79 79 ASP HB3 H 1 2.40 0.01 . 1 . . . . 79 ASP HB3 . 15209 1 888 . 1 1 79 79 ASP C C 13 175.10 0.10 . 1 . . . . 79 ASP C . 15209 1 889 . 1 1 79 79 ASP CA C 13 56.90 0.20 . 1 . . . . 79 ASP CA . 15209 1 890 . 1 1 79 79 ASP CB C 13 40.50 0.10 . 1 . . . . 79 ASP CB . 15209 1 891 . 1 1 79 79 ASP N N 15 117.90 0.10 . 1 . . . . 79 ASP N . 15209 1 892 . 1 1 80 80 PHE H H 1 7.73 0.01 . 1 . . . . 80 PHE H . 15209 1 893 . 1 1 80 80 PHE HA H 1 4.87 0.02 . 1 . . . . 80 PHE HA . 15209 1 894 . 1 1 80 80 PHE HB2 H 1 2.85 0.01 . 1 . . . . 80 PHE HB2 . 15209 1 895 . 1 1 80 80 PHE HB3 H 1 2.57 0.01 . 1 . . . . 80 PHE HB3 . 15209 1 896 . 1 1 80 80 PHE HD1 H 1 6.65 0.01 . 1 . . . . 80 PHE HD1 . 15209 1 897 . 1 1 80 80 PHE HD2 H 1 6.65 0.01 . 1 . . . . 80 PHE HD2 . 15209 1 898 . 1 1 80 80 PHE HE1 H 1 6.98 0.01 . 1 . . . . 80 PHE HE1 . 15209 1 899 . 1 1 80 80 PHE HE2 H 1 6.98 0.01 . 1 . . . . 80 PHE HE2 . 15209 1 900 . 1 1 80 80 PHE HZ H 1 7.19 0.01 . 1 . . . . 80 PHE HZ . 15209 1 901 . 1 1 80 80 PHE C C 13 175.10 0.10 . 1 . . . . 80 PHE C . 15209 1 902 . 1 1 80 80 PHE CA C 13 57.00 0.20 . 1 . . . . 80 PHE CA . 15209 1 903 . 1 1 80 80 PHE CB C 13 40.30 0.10 . 1 . . . . 80 PHE CB . 15209 1 904 . 1 1 80 80 PHE CD1 C 13 128.00 0.20 . 1 . . . . 80 PHE CD1 . 15209 1 905 . 1 1 80 80 PHE CD2 C 13 128.00 0.20 . 1 . . . . 80 PHE CD2 . 15209 1 906 . 1 1 80 80 PHE CE1 C 13 131.70 0.50 . 1 . . . . 80 PHE CE1 . 15209 1 907 . 1 1 80 80 PHE CE2 C 13 131.70 0.50 . 1 . . . . 80 PHE CE2 . 15209 1 908 . 1 1 80 80 PHE CZ C 13 131.80 0.50 . 1 . . . . 80 PHE CZ . 15209 1 909 . 1 1 80 80 PHE N N 15 117.80 0.05 . 1 . . . . 80 PHE N . 15209 1 910 . 1 1 81 81 VAL H H 1 8.97 0.01 . 1 . . . . 81 VAL H . 15209 1 911 . 1 1 81 81 VAL HA H 1 4.32 0.01 . 1 . . . . 81 VAL HA . 15209 1 912 . 1 1 81 81 VAL HB H 1 1.69 0.01 . 1 . . . . 81 VAL HB . 15209 1 913 . 1 1 81 81 VAL HG11 H 1 0.76 0.01 . 1 . . . . 81 VAL HG1 . 15209 1 914 . 1 1 81 81 VAL HG12 H 1 0.76 0.01 . 1 . . . . 81 VAL HG1 . 15209 1 915 . 1 1 81 81 VAL HG13 H 1 0.76 0.01 . 1 . . . . 81 VAL HG1 . 15209 1 916 . 1 1 81 81 VAL HG21 H 1 0.80 0.01 . 1 . . . . 81 VAL HG2 . 15209 1 917 . 1 1 81 81 VAL HG22 H 1 0.80 0.01 . 1 . . . . 81 VAL HG2 . 15209 1 918 . 1 1 81 81 VAL HG23 H 1 0.80 0.01 . 1 . . . . 81 VAL HG2 . 15209 1 919 . 1 1 81 81 VAL C C 13 173.20 0.30 . 1 . . . . 81 VAL C . 15209 1 920 . 1 1 81 81 VAL CA C 13 61.60 0.10 . 1 . . . . 81 VAL CA . 15209 1 921 . 1 1 81 81 VAL CB C 13 34.50 0.10 . 1 . . . . 81 VAL CB . 15209 1 922 . 1 1 81 81 VAL CG1 C 13 21.70 0.20 . 1 . . . . 81 VAL CG1 . 15209 1 923 . 1 1 81 81 VAL CG2 C 13 21.60 0.20 . 1 . . . . 81 VAL CG2 . 15209 1 924 . 1 1 81 81 VAL N N 15 123.70 0.10 . 1 . . . . 81 VAL N . 15209 1 925 . 1 1 82 82 TYR H H 1 8.69 0.01 . 1 . . . . 82 TYR H . 15209 1 926 . 1 1 82 82 TYR HA H 1 4.89 0.01 . 1 . . . . 82 TYR HA . 15209 1 927 . 1 1 82 82 TYR HB2 H 1 2.94 0.01 . 1 . . . . 82 TYR HB2 . 15209 1 928 . 1 1 82 82 TYR HB3 H 1 2.74 0.01 . 1 . . . . 82 TYR HB3 . 15209 1 929 . 1 1 82 82 TYR HD1 H 1 7.04 0.01 . 1 . . . . 82 TYR HD1 . 15209 1 930 . 1 1 82 82 TYR HD2 H 1 7.04 0.01 . 1 . . . . 82 TYR HD2 . 15209 1 931 . 1 1 82 82 TYR HE1 H 1 6.60 0.01 . 1 . . . . 82 TYR HE1 . 15209 1 932 . 1 1 82 82 TYR HE2 H 1 6.60 0.01 . 1 . . . . 82 TYR HE2 . 15209 1 933 . 1 1 82 82 TYR C C 13 176.00 0.10 . 1 . . . . 82 TYR C . 15209 1 934 . 1 1 82 82 TYR CA C 13 56.70 0.10 . 1 . . . . 82 TYR CA . 15209 1 935 . 1 1 82 82 TYR CB C 13 38.80 0.10 . 1 . . . . 82 TYR CB . 15209 1 936 . 1 1 82 82 TYR CD1 C 13 133.50 0.20 . 1 . . . . 82 TYR CD1 . 15209 1 937 . 1 1 82 82 TYR CD2 C 13 133.50 0.20 . 1 . . . . 82 TYR CD2 . 15209 1 938 . 1 1 82 82 TYR CE1 C 13 117.70 0.20 . 1 . . . . 82 TYR CE1 . 15209 1 939 . 1 1 82 82 TYR CE2 C 13 117.70 0.20 . 1 . . . . 82 TYR CE2 . 15209 1 940 . 1 1 82 82 TYR N N 15 125.50 0.09 . 1 . . . . 82 TYR N . 15209 1 941 . 1 1 83 83 LEU H H 1 9.39 0.01 . 1 . . . . 83 LEU H . 15209 1 942 . 1 1 83 83 LEU HA H 1 4.93 0.01 . 1 . . . . 83 LEU HA . 15209 1 943 . 1 1 83 83 LEU HB2 H 1 1.60 0.01 . 1 . . . . 83 LEU HB2 . 15209 1 944 . 1 1 83 83 LEU HB3 H 1 1.06 0.02 . 1 . . . . 83 LEU HB3 . 15209 1 945 . 1 1 83 83 LEU HG H 1 1.49 0.01 . 1 . . . . 83 LEU HG . 15209 1 946 . 1 1 83 83 LEU HD11 H 1 0.72 0.01 . 1 . . . . 83 LEU HD1 . 15209 1 947 . 1 1 83 83 LEU HD12 H 1 0.72 0.01 . 1 . . . . 83 LEU HD1 . 15209 1 948 . 1 1 83 83 LEU HD13 H 1 0.72 0.01 . 1 . . . . 83 LEU HD1 . 15209 1 949 . 1 1 83 83 LEU HD21 H 1 0.64 0.01 . 1 . . . . 83 LEU HD2 . 15209 1 950 . 1 1 83 83 LEU HD22 H 1 0.64 0.01 . 1 . . . . 83 LEU HD2 . 15209 1 951 . 1 1 83 83 LEU HD23 H 1 0.64 0.01 . 1 . . . . 83 LEU HD2 . 15209 1 952 . 1 1 83 83 LEU C C 13 175.50 0.10 . 1 . . . . 83 LEU C . 15209 1 953 . 1 1 83 83 LEU CA C 13 53.20 0.20 . 1 . . . . 83 LEU CA . 15209 1 954 . 1 1 83 83 LEU CB C 13 44.30 0.10 . 1 . . . . 83 LEU CB . 15209 1 955 . 1 1 83 83 LEU CD1 C 13 24.30 0.10 . 1 . . . . 83 LEU CD1 . 15209 1 956 . 1 1 83 83 LEU CD2 C 13 24.00 0.10 . 1 . . . . 83 LEU CD2 . 15209 1 957 . 1 1 83 83 LEU N N 15 126.20 0.08 . 1 . . . . 83 LEU N . 15209 1 958 . 1 1 84 84 LYS H H 1 8.19 0.01 . 1 . . . . 84 LYS H . 15209 1 959 . 1 1 84 84 LYS HA H 1 4.94 0.01 . 1 . . . . 84 LYS HA . 15209 1 960 . 1 1 84 84 LYS HB2 H 1 1.60 0.01 . 1 . . . . 84 LYS HB2 . 15209 1 961 . 1 1 84 84 LYS HB3 H 1 1.60 0.01 . 1 . . . . 84 LYS HB3 . 15209 1 962 . 1 1 84 84 LYS HG2 H 1 0.55 0.01 . 2 . . . . 84 LYS HG2 . 15209 1 963 . 1 1 84 84 LYS HG3 H 1 0.55 0.01 . 2 . . . . 84 LYS HG3 . 15209 1 964 . 1 1 84 84 LYS HD2 H 1 1.40 0.01 . 2 . . . . 84 LYS HD2 . 15209 1 965 . 1 1 84 84 LYS HD3 H 1 1.40 0.01 . 2 . . . . 84 LYS HD3 . 15209 1 966 . 1 1 84 84 LYS HE2 H 1 2.61 0.01 . 1 . . . . 84 LYS HE2 . 15209 1 967 . 1 1 84 84 LYS HE3 H 1 2.61 0.01 . 1 . . . . 84 LYS HE3 . 15209 1 968 . 1 1 84 84 LYS C C 13 175.90 0.10 . 1 . . . . 84 LYS C . 15209 1 969 . 1 1 84 84 LYS CA C 13 55.70 0.10 . 1 . . . . 84 LYS CA . 15209 1 970 . 1 1 84 84 LYS CB C 13 34.60 0.10 . 1 . . . . 84 LYS CB . 15209 1 971 . 1 1 84 84 LYS N N 15 123.90 0.02 . 1 . . . . 84 LYS N . 15209 1 972 . 1 1 85 85 VAL H H 1 8.77 0.01 . 1 . . . . 85 VAL H . 15209 1 973 . 1 1 85 85 VAL HA H 1 5.04 0.02 . 1 . . . . 85 VAL HA . 15209 1 974 . 1 1 85 85 VAL HB H 1 1.73 0.02 . 1 . . . . 85 VAL HB . 15209 1 975 . 1 1 85 85 VAL HG11 H 1 0.60 0.01 . 1 . . . . 85 VAL HG1 . 15209 1 976 . 1 1 85 85 VAL HG12 H 1 0.60 0.01 . 1 . . . . 85 VAL HG1 . 15209 1 977 . 1 1 85 85 VAL HG13 H 1 0.60 0.01 . 1 . . . . 85 VAL HG1 . 15209 1 978 . 1 1 85 85 VAL HG21 H 1 0.55 0.01 . 1 . . . . 85 VAL HG2 . 15209 1 979 . 1 1 85 85 VAL HG22 H 1 0.55 0.01 . 1 . . . . 85 VAL HG2 . 15209 1 980 . 1 1 85 85 VAL HG23 H 1 0.55 0.01 . 1 . . . . 85 VAL HG2 . 15209 1 981 . 1 1 85 85 VAL C C 13 174.50 0.10 . 1 . . . . 85 VAL C . 15209 1 982 . 1 1 85 85 VAL CA C 13 59.50 0.20 . 1 . . . . 85 VAL CA . 15209 1 983 . 1 1 85 85 VAL CB C 13 36.10 0.10 . 1 . . . . 85 VAL CB . 15209 1 984 . 1 1 85 85 VAL CG1 C 13 21.20 0.26 . 1 . . . . 85 VAL CG1 . 15209 1 985 . 1 1 85 85 VAL CG2 C 13 20.00 0.17 . 1 . . . . 85 VAL CG2 . 15209 1 986 . 1 1 85 85 VAL N N 15 121.80 0.09 . 1 . . . . 85 VAL N . 15209 1 987 . 1 1 86 86 ALA H H 1 9.04 0.01 . 1 . . . . 86 ALA H . 15209 1 988 . 1 1 86 86 ALA HA H 1 4.70 0.01 . 1 . . . . 86 ALA HA . 15209 1 989 . 1 1 86 86 ALA HB1 H 1 1.19 0.00 . 1 . . . . 86 ALA HB . 15209 1 990 . 1 1 86 86 ALA HB2 H 1 1.19 0.00 . 1 . . . . 86 ALA HB . 15209 1 991 . 1 1 86 86 ALA HB3 H 1 1.19 0.00 . 1 . . . . 86 ALA HB . 15209 1 992 . 1 1 86 86 ALA C C 13 176.30 0.20 . 1 . . . . 86 ALA C . 15209 1 993 . 1 1 86 86 ALA CA C 13 50.70 0.10 . 1 . . . . 86 ALA CA . 15209 1 994 . 1 1 86 86 ALA CB C 13 21.40 0.10 . 1 . . . . 86 ALA CB . 15209 1 995 . 1 1 86 86 ALA N N 15 126.70 0.04 . 1 . . . . 86 ALA N . 15209 1 996 . 1 1 87 87 LYS H H 1 8.48 0.01 . 1 . . . . 87 LYS H . 15209 1 997 . 1 1 87 87 LYS HA H 1 4.64 0.02 . 1 . . . . 87 LYS HA . 15209 1 998 . 1 1 87 87 LYS HB2 H 1 1.57 0.01 . 1 . . . . 87 LYS HB2 . 15209 1 999 . 1 1 87 87 LYS HB3 H 1 1.57 0.01 . 1 . . . . 87 LYS HB3 . 15209 1 1000 . 1 1 87 87 LYS C C 13 175.20 0.10 . 1 . . . . 87 LYS C . 15209 1 1001 . 1 1 87 87 LYS CA C 13 53.10 0.10 . 1 . . . . 87 LYS CA . 15209 1 1002 . 1 1 87 87 LYS CB C 13 31.70 0.10 . 1 . . . . 87 LYS CB . 15209 1 1003 . 1 1 87 87 LYS N N 15 124.80 0.06 . 1 . . . . 87 LYS N . 15209 1 1004 . 1 1 88 88 PRO HA H 1 4.46 0.02 . 1 . . . . 88 PRO HA . 15209 1 1005 . 1 1 88 88 PRO HB2 H 1 2.25 0.01 . 2 . . . . 88 PRO HB2 . 15209 1 1006 . 1 1 88 88 PRO HB3 H 1 1.82 0.01 . 2 . . . . 88 PRO HB3 . 15209 1 1007 . 1 1 88 88 PRO HG2 H 1 1.94 0.01 . 2 . . . . 88 PRO HG2 . 15209 1 1008 . 1 1 88 88 PRO HG3 H 1 1.56 0.01 . 2 . . . . 88 PRO HG3 . 15209 1 1009 . 1 1 88 88 PRO HD2 H 1 3.89 0.02 . 2 . . . . 88 PRO HD2 . 15209 1 1010 . 1 1 88 88 PRO HD3 H 1 3.56 0.02 . 2 . . . . 88 PRO HD3 . 15209 1 1011 . 1 1 88 88 PRO C C 13 177.40 0.10 . 1 . . . . 88 PRO C . 15209 1 1012 . 1 1 88 88 PRO CA C 13 66.30 0.10 . 1 . . . . 88 PRO CA . 15209 1 1013 . 1 1 88 88 PRO CB C 13 32.00 0.10 . 1 . . . . 88 PRO CB . 15209 1 1014 . 1 1 88 88 PRO CD C 13 50.80 0.10 . 1 . . . . 88 PRO CD . 15209 1 1015 . 1 1 89 89 THR H H 1 8.29 0.01 . 1 . . . . 89 THR H . 15209 1 1016 . 1 1 89 89 THR HA H 1 4.20 0.01 . 1 . . . . 89 THR HA . 15209 1 1017 . 1 1 89 89 THR HB H 1 4.15 0.01 . 1 . . . . 89 THR HB . 15209 1 1018 . 1 1 89 89 THR HG21 H 1 1.10 0.02 . 1 . . . . 89 THR HG2 . 15209 1 1019 . 1 1 89 89 THR HG22 H 1 1.10 0.02 . 1 . . . . 89 THR HG2 . 15209 1 1020 . 1 1 89 89 THR HG23 H 1 1.10 0.02 . 1 . . . . 89 THR HG2 . 15209 1 1021 . 1 1 89 89 THR C C 13 175.30 0.10 . 1 . . . . 89 THR C . 15209 1 1022 . 1 1 89 89 THR CA C 13 62.20 0.20 . 1 . . . . 89 THR CA . 15209 1 1023 . 1 1 89 89 THR CB C 13 69.90 0.10 . 1 . . . . 89 THR CB . 15209 1 1024 . 1 1 89 89 THR CG2 C 13 21.10 0.10 . 1 . . . . 89 THR CG2 . 15209 1 1025 . 1 1 89 89 THR N N 15 114.40 0.03 . 1 . . . . 89 THR N . 15209 1 1026 . 1 1 90 90 GLY H H 1 8.31 0.01 . 1 . . . . 90 GLY H . 15209 1 1027 . 1 1 90 90 GLY HA2 H 1 3.86 0.02 . 1 . . . . 90 GLY HA2 . 15209 1 1028 . 1 1 90 90 GLY HA3 H 1 3.86 0.02 . 1 . . . . 90 GLY HA3 . 15209 1 1029 . 1 1 90 90 GLY C C 13 174.10 0.10 . 1 . . . . 90 GLY C . 15209 1 1030 . 1 1 90 90 GLY CA C 13 45.30 0.10 . 1 . . . . 90 GLY CA . 15209 1 1031 . 1 1 90 90 GLY N N 15 111.10 0.01 . 1 . . . . 90 GLY N . 15209 1 1032 . 1 1 91 91 SER H H 1 8.09 0.01 . 1 . . . . 91 SER H . 15209 1 1033 . 1 1 91 91 SER HA H 1 4.24 0.01 . 1 . . . . 91 SER HA . 15209 1 1034 . 1 1 91 91 SER HB2 H 1 3.65 0.01 . 1 . . . . 91 SER HB2 . 15209 1 1035 . 1 1 91 91 SER HB3 H 1 3.65 0.01 . 1 . . . . 91 SER HB3 . 15209 1 1036 . 1 1 91 91 SER C C 13 174.40 0.30 . 1 . . . . 91 SER C . 15209 1 1037 . 1 1 91 91 SER CA C 13 58.20 0.20 . 1 . . . . 91 SER CA . 15209 1 1038 . 1 1 91 91 SER CB C 13 63.90 0.10 . 1 . . . . 91 SER CB . 15209 1 1039 . 1 1 91 91 SER N N 15 115.50 0.02 . 1 . . . . 91 SER N . 15209 1 1040 . 1 1 92 92 HIS H H 1 8.42 0.07 . 1 . . . . 92 HIS H . 15209 1 1041 . 1 1 92 92 HIS HA H 1 4.50 0.01 . 1 . . . . 92 HIS HA . 15209 1 1042 . 1 1 92 92 HIS HB2 H 1 3.01 0.01 . 1 . . . . 92 HIS HB2 . 15209 1 1043 . 1 1 92 92 HIS HB3 H 1 3.01 0.01 . 1 . . . . 92 HIS HB3 . 15209 1 1044 . 1 1 92 92 HIS N N 15 120.30 0.30 . 1 . . . . 92 HIS N . 15209 1 1045 . 2 2 1 1 ARG H H 1 8.67 0.02 . 1 . . . . 301 ARG H . 15209 1 1046 . 2 2 1 1 ARG HA H 1 4.48 0.02 . 1 . . . . 301 ARG HA . 15209 1 1047 . 2 2 1 1 ARG HB2 H 1 1.79 0.02 . 2 . . . . 301 ARG HB2 . 15209 1 1048 . 2 2 1 1 ARG HB3 H 1 1.79 0.02 . 2 . . . . 301 ARG HB3 . 15209 1 1049 . 2 2 1 1 ARG HD2 H 1 3.76 0.02 . 2 . . . . 301 ARG HD2 . 15209 1 1050 . 2 2 1 1 ARG HD3 H 1 3.76 0.02 . 2 . . . . 301 ARG HD3 . 15209 1 1051 . 2 2 2 2 ARG H H 1 8.13 0.01 . 1 . . . . 302 ARG H . 15209 1 1052 . 2 2 2 2 ARG HA H 1 4.16 0.01 . 1 . . . . 302 ARG HA . 15209 1 1053 . 2 2 2 2 ARG HB2 H 1 1.68 0.01 . 2 . . . . 302 ARG HB2 . 15209 1 1054 . 2 2 2 2 ARG HB3 H 1 1.56 0.01 . 2 . . . . 302 ARG HB3 . 15209 1 1055 . 2 2 2 2 ARG HG2 H 1 1.47 0.01 . 4 . . . . 302 ARG HG2 . 15209 1 1056 . 2 2 2 2 ARG HG3 H 1 1.02 0.01 . 4 . . . . 302 ARG HG3 . 15209 1 1057 . 2 2 2 2 ARG HD2 H 1 2.81 0.01 . 2 . . . . 302 ARG HD2 . 15209 1 1058 . 2 2 2 2 ARG HD3 H 1 3.09 0.01 . 2 . . . . 302 ARG HD3 . 15209 1 1059 . 2 2 3 3 GLU H H 1 8.81 0.01 . 1 . . . . 303 GLU H . 15209 1 1060 . 2 2 3 3 GLU HA H 1 5.29 0.01 . 1 . . . . 303 GLU HA . 15209 1 1061 . 2 2 3 3 GLU HB2 H 1 1.76 0.01 . 2 . . . . 303 GLU HB2 . 15209 1 1062 . 2 2 3 3 GLU HB3 H 1 1.69 0.01 . 2 . . . . 303 GLU HB3 . 15209 1 1063 . 2 2 3 3 GLU HG2 H 1 1.96 0.01 . 2 . . . . 303 GLU HG2 . 15209 1 1064 . 2 2 3 3 GLU HG3 H 1 1.87 0.01 . 2 . . . . 303 GLU HG3 . 15209 1 1065 . 2 2 4 4 THR H H 1 8.61 0.01 . 1 . . . . 304 THR H . 15209 1 1066 . 2 2 4 4 THR HA H 1 4.47 0.01 . 1 . . . . 304 THR HA . 15209 1 1067 . 2 2 4 4 THR HB H 1 3.45 0.01 . 1 . . . . 304 THR HB . 15209 1 1068 . 2 2 4 4 THR HG21 H 1 1.10 0.01 . 1 . . . . 304 THR HG2 . 15209 1 1069 . 2 2 4 4 THR HG22 H 1 1.10 0.01 . 1 . . . . 304 THR HG2 . 15209 1 1070 . 2 2 4 4 THR HG23 H 1 1.10 0.01 . 1 . . . . 304 THR HG2 . 15209 1 1071 . 2 2 5 5 GLN H H 1 7.90 0.01 . 1 . . . . 305 GLN H . 15209 1 1072 . 2 2 5 5 GLN HA H 1 4.21 0.01 . 1 . . . . 305 GLN HA . 15209 1 1073 . 2 2 5 5 GLN HB2 H 1 1.75 0.01 . 2 . . . . 305 GLN HB2 . 15209 1 1074 . 2 2 5 5 GLN HB3 H 1 1.56 0.01 . 2 . . . . 305 GLN HB3 . 15209 1 1075 . 2 2 5 5 GLN HG2 H 1 2.12 0.01 . 2 . . . . 305 GLN HG2 . 15209 1 1076 . 2 2 5 5 GLN HG3 H 1 2.00 0.01 . 2 . . . . 305 GLN HG3 . 15209 1 1077 . 2 2 5 5 GLN HE21 H 1 7.74 0.01 . 2 . . . . 305 GLN HE21 . 15209 1 1078 . 2 2 5 5 GLN HE22 H 1 6.65 0.01 . 2 . . . . 305 GLN HE22 . 15209 1 1079 . 2 2 6 6 VAL H H 1 8.88 0.01 . 1 . . . . 306 VAL H . 15209 1 1080 . 2 2 6 6 VAL HA H 1 4.52 0.01 . 1 . . . . 306 VAL HA . 15209 1 1081 . 2 2 6 6 VAL HB H 1 1.88 0.01 . 1 . . . . 306 VAL HB . 15209 1 1082 . 2 2 6 6 VAL HG11 H 1 0.49 0.01 . 1 . . . . 306 VAL HG1 . 15209 1 1083 . 2 2 6 6 VAL HG12 H 1 0.49 0.01 . 1 . . . . 306 VAL HG1 . 15209 1 1084 . 2 2 6 6 VAL HG13 H 1 0.49 0.01 . 1 . . . . 306 VAL HG1 . 15209 1 1085 . 2 2 6 6 VAL HG21 H 1 -0.18 0.01 . 1 . . . . 306 VAL HG2 . 15209 1 1086 . 2 2 6 6 VAL HG22 H 1 -0.18 0.01 . 1 . . . . 306 VAL HG2 . 15209 1 1087 . 2 2 6 6 VAL HG23 H 1 -0.18 0.01 . 1 . . . . 306 VAL HG2 . 15209 1 stop_ save_