data_7354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7354 _Entry.Title ; NMR STRUCTURE OF A PROTEIN-DNA COMPLEX OF AN ALTERED SPECIFICITY MUTANT OF THE LAC REPRESSOR THAT MIMICS THE GAL REPRESSOR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-01 _Entry.Accession_date 2006-12-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.58 _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 R. Salinas R. K. . 7354 2 G. Folkers G. E. . 7354 3 A. Bonvin A. M.J.J. . 7354 4 D. Das D. . . 7354 5 R. Boelens R. . . 7354 6 R. Kaptein R. . . 7354 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 3D-STRUCTURE 3D-STRUCTURE 7354 'ALTERED SPECIFICITY' 'ALTERED SPECIFICITY' 7354 DNA-BINDING DNA-BINDING 7354 'GAL OPERON' 'GAL OPERON' 7354 'GAL REPRESSOR' 'GAL REPRESSOR' 7354 HTH HTH 7354 'LAC HEADPIECE' 'LAC HEADPIECE' 7354 'LAC OPERON' 'LAC OPERON' 7354 'LAC REPRESSOR' 'LAC REPRESSOR' 7354 MUTANT MUTANT 7354 NMR NMR 7354 REPRESSOR REPRESSOR 7354 'SYMMETRIC DIMER' 'SYMMETRIC DIMER' 7354 'SYMMETRIC DNA-BINDING' 'SYMMETRIC DNA-BINDING' 7354 'TRANSCRIPTION REGULATION' 'TRANSCRIPTION REGULATION' 7354 'TRANSCRIPTION REGULATOR/DNA' 'TRANSCRIPTION REGULATOR/DNA' 7354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 7354 '15N chemical shifts' 70 7354 '1H chemical shifts' 544 7354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-14 2006-12-01 update BMRB 'update DNA residue label to two-letter code' 7354 1 . . 2010-02-25 2006-12-01 original author 'original release' 7354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BJC 'BMRB Entry Tracking System' 7354 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 7354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16094693 _Citation.Full_citation . _Citation.Title 'Altered specificity in DNA binding by the lac repressor: a mutant lac headpiece that mimics the gal repressor' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 6 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1628 _Citation.Page_last 1637 _Citation.Year 2005 _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 Roberto 'Kopke Salinas' . . . 7354 1 2 Gert Folkers . E. . 7354 1 3 Alexandre Bonvin . M.J.J. . 7354 1 4 Devashish Das . . . 7354 1 5 Rolf Boelens . . . 7354 1 6 Robert Kaptein . . . 7354 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 7354 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Plasticity in Protein-DNA Recognition: Lac Repressor Interacts with its Natural Operator O1 Through Alternative Conformations of its DNA Binding Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Embo J.' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue . _Citation.Journal_ASTM EMJODG _Citation.Journal_ISSN 0261-4189 _Citation.Journal_CSD 9999 _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 2866 _Citation.Page_last . _Citation.Year 2002 _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 C. Kalodimos C. G. . 7354 2 2 A. Bonvin A. M.J.J. . 7354 2 3 R. Salinas R. K. . 7354 2 4 R. Wechselberger R. . . 7354 2 5 R. Boelens R. . . 7354 2 6 R. Kaptein R. . . 7354 2 stop_ save_ save_citations_3 _Citation.Sf_category citations _Citation.Sf_framecode citations_3 _Citation.Entry_ID 7354 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The Interaction of the Recognition Helix of Lac Repressor with Lac Operator' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Embo J.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM EMJODG _Citation.Journal_ISSN 0261-4189 _Citation.Journal_CSD 9999 _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 3145 _Citation.Page_last . _Citation.Year 1987 _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 N. Lehming N. . . 7354 3 2 J. Sartorius J. . . 7354 3 3 M. Niemoler M. . . 7354 3 4 G. Genenger G. . . 7354 3 5 B. Wilcken-Bergmann B. . . 7354 3 6 B. Muller-Hill B. . . 7354 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7354 _Assembly.ID 1 _Assembly.Name LAC_REPRESSOR _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 LAC_REPRESSOR 1 $LAC-GAL_OPERATOR A . yes native no no . . . 7354 1 2 LAC_REPRESSOR 1 $LAC-GAL_OPERATOR B . yes native no no . . . 7354 1 3 LAC_REPRESSOR 2 $LAC_HEADPIECE_1-62 C . yes native no no . . . 7354 1 4 LAC_REPRESSOR 2 $LAC_HEADPIECE_1-62 D . yes native no no . . . 7354 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide 1 . 3 LAC_REPRESSOR 2 CYS 52 52 SG . 4 LAC_REPRESSOR 2 CYS 52 52 SG . LAC_REPRESSOR 52 cys SG . LAC_REPRESSOR 52 cys SG 7354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LAC-GAL_OPERATOR _Entity.Sf_category entity _Entity.Sf_framecode LAC-GAL_OPERATOR _Entity.Entry_ID 7354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LAC-GAL_OPERATOR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAATTGTAAGCGCTTACAAT TC ; _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 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _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 'SYMMETRIC DNA' _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 . DG . 7354 1 2 . DA . 7354 1 3 . DA . 7354 1 4 . DT . 7354 1 5 . DT . 7354 1 6 . DG . 7354 1 7 . DT . 7354 1 8 . DA . 7354 1 9 . DA . 7354 1 10 . DG . 7354 1 11 . DC . 7354 1 12 . DG . 7354 1 13 . DC . 7354 1 14 . DT . 7354 1 15 . DT . 7354 1 16 . DA . 7354 1 17 . DC . 7354 1 18 . DA . 7354 1 19 . DA . 7354 1 20 . DT . 7354 1 21 . DT . 7354 1 22 . DC . 7354 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 . DG 1 1 7354 1 . DA 2 2 7354 1 . DA 3 3 7354 1 . DT 4 4 7354 1 . DT 5 5 7354 1 . DG 6 6 7354 1 . DT 7 7 7354 1 . DA 8 8 7354 1 . DA 9 9 7354 1 . DG 10 10 7354 1 . DC 11 11 7354 1 . DG 12 12 7354 1 . DC 13 13 7354 1 . DT 14 14 7354 1 . DT 15 15 7354 1 . DA 16 16 7354 1 . DC 17 17 7354 1 . DA 18 18 7354 1 . DA 19 19 7354 1 . DT 20 20 7354 1 . DT 21 21 7354 1 . DC 22 22 7354 1 stop_ save_ save_LAC_HEADPIECE_1-62 _Entity.Sf_category entity _Entity.Sf_framecode LAC_HEADPIECE_1-62 _Entity.Entry_ID 7354 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name LAC_HEADPIECE_1-62 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKPVTLYDVAEYAGVSVATV SRVVNQASHVSAKTREKVEA AMAELNYIPNRCAQQLAGKQ SL ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'DNA BINDING DOMAIN' _Entity.Mutation 'YES [V52C Y17V Q18A]' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'DISULFIDE BOND BETWEEN CYS52 IN TWO MONOMERS FORMS A COVALENT DIMER' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BJC . "Nmr Structure Of A Protein-Dna Complex Of An Altered Specificity Mutant Of The Lac Repressor Headpiece That Mimics The Gal Rep" . . . . . 100.00 62 100.00 100.00 9.43e-36 . . . . 7354 2 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 . 7354 2 2 . LYS . 7354 2 3 . PRO . 7354 2 4 . VAL . 7354 2 5 . THR . 7354 2 6 . LEU . 7354 2 7 . TYR . 7354 2 8 . ASP . 7354 2 9 . VAL . 7354 2 10 . ALA . 7354 2 11 . GLU . 7354 2 12 . TYR . 7354 2 13 . ALA . 7354 2 14 . GLY . 7354 2 15 . VAL . 7354 2 16 . SER . 7354 2 17 . VAL . 7354 2 18 . ALA . 7354 2 19 . THR . 7354 2 20 . VAL . 7354 2 21 . SER . 7354 2 22 . ARG . 7354 2 23 . VAL . 7354 2 24 . VAL . 7354 2 25 . ASN . 7354 2 26 . GLN . 7354 2 27 . ALA . 7354 2 28 . SER . 7354 2 29 . HIS . 7354 2 30 . VAL . 7354 2 31 . SER . 7354 2 32 . ALA . 7354 2 33 . LYS . 7354 2 34 . THR . 7354 2 35 . ARG . 7354 2 36 . GLU . 7354 2 37 . LYS . 7354 2 38 . VAL . 7354 2 39 . GLU . 7354 2 40 . ALA . 7354 2 41 . ALA . 7354 2 42 . MET . 7354 2 43 . ALA . 7354 2 44 . GLU . 7354 2 45 . LEU . 7354 2 46 . ASN . 7354 2 47 . TYR . 7354 2 48 . ILE . 7354 2 49 . PRO . 7354 2 50 . ASN . 7354 2 51 . ARG . 7354 2 52 . CYS . 7354 2 53 . ALA . 7354 2 54 . GLN . 7354 2 55 . GLN . 7354 2 56 . LEU . 7354 2 57 . ALA . 7354 2 58 . GLY . 7354 2 59 . LYS . 7354 2 60 . GLN . 7354 2 61 . SER . 7354 2 62 . LEU . 7354 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 . MET 1 1 7354 2 . LYS 2 2 7354 2 . PRO 3 3 7354 2 . VAL 4 4 7354 2 . THR 5 5 7354 2 . LEU 6 6 7354 2 . TYR 7 7 7354 2 . ASP 8 8 7354 2 . VAL 9 9 7354 2 . ALA 10 10 7354 2 . GLU 11 11 7354 2 . TYR 12 12 7354 2 . ALA 13 13 7354 2 . GLY 14 14 7354 2 . VAL 15 15 7354 2 . SER 16 16 7354 2 . VAL 17 17 7354 2 . ALA 18 18 7354 2 . THR 19 19 7354 2 . VAL 20 20 7354 2 . SER 21 21 7354 2 . ARG 22 22 7354 2 . VAL 23 23 7354 2 . VAL 24 24 7354 2 . ASN 25 25 7354 2 . GLN 26 26 7354 2 . ALA 27 27 7354 2 . SER 28 28 7354 2 . HIS 29 29 7354 2 . VAL 30 30 7354 2 . SER 31 31 7354 2 . ALA 32 32 7354 2 . LYS 33 33 7354 2 . THR 34 34 7354 2 . ARG 35 35 7354 2 . GLU 36 36 7354 2 . LYS 37 37 7354 2 . VAL 38 38 7354 2 . GLU 39 39 7354 2 . ALA 40 40 7354 2 . ALA 41 41 7354 2 . MET 42 42 7354 2 . ALA 43 43 7354 2 . GLU 44 44 7354 2 . LEU 45 45 7354 2 . ASN 46 46 7354 2 . TYR 47 47 7354 2 . ILE 48 48 7354 2 . PRO 49 49 7354 2 . ASN 50 50 7354 2 . ARG 51 51 7354 2 . CYS 52 52 7354 2 . ALA 53 53 7354 2 . GLN 54 54 7354 2 . GLN 55 55 7354 2 . LEU 56 56 7354 2 . ALA 57 57 7354 2 . GLY 58 58 7354 2 . LYS 59 59 7354 2 . GLN 60 60 7354 2 . SER 61 61 7354 2 . LEU 62 62 7354 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 7354 _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 $LAC-GAL_OPERATOR . 562 organism . 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . . Bacteria . Escherichia coli DH9 . . . . . . . . . . . . . . . . . . . . 7354 1 2 2 $LAC_HEADPIECE_1-62 . 562 organism . 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . . Bacteria . Escherichia coli DH9 . . . . . . . . . . . . . . . . . . . . 7354 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 7354 _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 $LAC-GAL_OPERATOR . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI DH9 . . . . . . . . . . . . . . . 'PET3A / PGP1-2' . . . . . . 7354 1 2 2 $LAC_HEADPIECE_1-62 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI DH9 . . . . . . . . . . . . . . . 'PET3A / PGP1-2' . . . . . . 7354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 7354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '95% WATER/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LAC_REPRESSOR 'natural abundance' 1 $assembly . . . . . . . mM . . . . 7354 1 2 D2O . . . . . . . 5 . . % . . . . 7354 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7354 1 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 7354 _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' 20 . mM 7354 1 pH 6.0 . pH 7354 1 pressure 1.0 . atm 7354 1 temperature 315.0 . K 7354 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7354 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . . 7354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7354 1 stop_ save_ save_CNS_2 _Software.Sf_category software _Software.Sf_framecode CNS_2 _Software.Entry_ID 7354 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7354 2 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 7354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_900 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 900 _NMR_spectrometer_list.Entry_ID 7354 _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 DMX . 900 . . . 7354 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 7354 _Experiment_list.ID 1 _Experiment_list.Details 'THE STRUCTURE WAS DETERMINED USING TRIPLE RESONANCE NMR SPECTROSCOPY ON A 13C, 15N LABELED PROTEIN AND UNLABELED DNA.' 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 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 2 '3D 13C NOESY-HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 4 '2D NOESY WITH X-FILTERS' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 5 '3D CBCACONH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 7 '3D HBHACONH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 8 '3D HCCCONH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 1 12 '2D 1H-15N J- MODULATED HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7354 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 7354 _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 . . . . . . ppm 0 internal . . . . . . . . . . . 7354 1 H 1 . . . . . . ppm 0 internal . . . . . . . . . . . 7354 1 N 15 . . . . . . ppm 0 internal . . . . . . . . . . . 7354 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 7354 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _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 DG H1' H 1 5.588 . . 1 . . . . 1 G H1' . 7354 1 2 . 1 1 1 1 DG H2' H 1 2.408 . . 1 . . . . 1 G H2' . 7354 1 3 . 1 1 1 1 DG H2'' H 1 2.635 . . 1 . . . . 1 G H2'' . 7354 1 4 . 1 1 1 1 DG H3' H 1 4.832 . . 1 . . . . 1 G H3' . 7354 1 5 . 1 1 1 1 DG H4' H 1 4.181 . . 1 . . . . 1 G H4' . 7354 1 6 . 1 1 1 1 DG H5' H 1 3.703 . . 1 . . . . 1 G H5' . 7354 1 7 . 1 1 1 1 DG H8 H 1 7.836 . . 2 . . . . 1 G H8 . 7354 1 8 . 1 1 2 2 DA H1' H 1 6.011 . . 1 . . . . 2 A H1' . 7354 1 9 . 1 1 2 2 DA H2' H 1 2.774 . . 1 . . . . 2 A H2' . 7354 1 10 . 1 1 2 2 DA H2'' H 1 2.960 . . 1 . . . . 2 A H2'' . 7354 1 11 . 1 1 2 2 DA H3' H 1 5.085 . . 1 . . . . 2 A H3' . 7354 1 12 . 1 1 2 2 DA H8 H 1 8.223 . . 2 . . . . 2 A H8 . 7354 1 13 . 1 1 3 3 DA H1' H 1 6.261 . . 1 . . . . 3 A H1' . 7354 1 14 . 1 1 3 3 DA H2 H 1 7.765 . . 2 . . . . 3 A H2 . 7354 1 15 . 1 1 3 3 DA H2' H 1 2.339 . . 1 . . . . 3 A H2' . 7354 1 16 . 1 1 3 3 DA H2'' H 1 2.747 . . 1 . . . . 3 A H2'' . 7354 1 17 . 1 1 3 3 DA H3' H 1 5.161 . . 1 . . . . 3 A H3' . 7354 1 18 . 1 1 3 3 DA H8 H 1 8.095 . . 2 . . . . 3 A H8 . 7354 1 19 . 1 1 4 4 DT H1' H 1 5.892 . . 1 . . . . 4 T H1' . 7354 1 20 . 1 1 4 4 DT H2' H 1 1.834 . . 1 . . . . 4 T H2' . 7354 1 21 . 1 1 4 4 DT H2'' H 1 2.858 . . 1 . . . . 4 T H2'' . 7354 1 22 . 1 1 4 4 DT H3' H 1 4.261 . . 1 . . . . 4 T H3' . 7354 1 23 . 1 1 4 4 DT H6 H 1 6.537 . . 2 . . . . 4 T H6 . 7354 1 24 . 1 1 4 4 DT H71 H 1 0.882 . . 4 . . . . 4 T H71 . 7354 1 25 . 1 1 4 4 DT H72 H 1 0.882 . . 4 . . . . 4 T H71 . 7354 1 26 . 1 1 4 4 DT H73 H 1 0.882 . . 4 . . . . 4 T H71 . 7354 1 27 . 1 1 5 5 DT H1' H 1 5.965 . . 1 . . . . 5 T H1' . 7354 1 28 . 1 1 5 5 DT H6 H 1 7.542 . . 2 . . . . 5 T H6 . 7354 1 29 . 1 1 5 5 DT H71 H 1 1.511 . . 4 . . . . 5 T H71 . 7354 1 30 . 1 1 5 5 DT H72 H 1 1.511 . . 4 . . . . 5 T H71 . 7354 1 31 . 1 1 5 5 DT H73 H 1 1.511 . . 4 . . . . 5 T H71 . 7354 1 32 . 1 1 6 6 DG H1' H 1 5.963 . . 1 . . . . 6 G H1' . 7354 1 33 . 1 1 6 6 DG H2' H 1 2.427 . . 1 . . . . 6 G H2' . 7354 1 34 . 1 1 6 6 DG H2'' H 1 2.735 . . 1 . . . . 6 G H2'' . 7354 1 35 . 1 1 6 6 DG H8 H 1 7.126 . . 2 . . . . 6 G H8 . 7354 1 36 . 1 1 7 7 DT H1' H 1 5.927 . . 1 . . . . 7 T H1' . 7354 1 37 . 1 1 7 7 DT H2' H 1 2.109 . . 1 . . . . 7 T H2' . 7354 1 38 . 1 1 7 7 DT H2'' H 1 2.517 . . 1 . . . . 7 T H2'' . 7354 1 39 . 1 1 7 7 DT H6 H 1 7.126 . . 2 . . . . 7 T H6 . 7354 1 40 . 1 1 7 7 DT H71 H 1 1.504 . . 4 . . . . 7 T H71 . 7354 1 41 . 1 1 7 7 DT H72 H 1 1.504 . . 4 . . . . 7 T H71 . 7354 1 42 . 1 1 7 7 DT H73 H 1 1.504 . . 4 . . . . 7 T H71 . 7354 1 43 . 1 1 8 8 DA H1' H 1 5.649 . . 1 . . . . 8 A H1' . 7354 1 44 . 1 1 8 8 DA H2 H 1 6.979 . . 2 . . . . 8 A H2 . 7354 1 45 . 1 1 8 8 DA H2' H 1 2.771 . . 1 . . . . 8 A H2' . 7354 1 46 . 1 1 8 8 DA H2'' H 1 2.784 . . 1 . . . . 8 A H2'' . 7354 1 47 . 1 1 8 8 DA H3' H 1 5.060 . . 1 . . . . 8 A H3' . 7354 1 48 . 1 1 8 8 DA H4' H 1 4.341 . . 1 . . . . 8 A H4' . 7354 1 49 . 1 1 8 8 DA H8 H 1 8.399 . . 2 . . . . 8 A H8 . 7354 1 50 . 1 1 9 9 DA H1' H 1 6.011 . . 1 . . . . 9 A H1' . 7354 1 51 . 1 1 9 9 DA H2 H 1 7.603 . . 2 . . . . 9 A H2 . 7354 1 52 . 1 1 9 9 DA H2' H 1 2.556 . . 1 . . . . 9 A H2' . 7354 1 53 . 1 1 9 9 DA H2'' H 1 2.798 . . 1 . . . . 9 A H2'' . 7354 1 54 . 1 1 9 9 DA H8 H 1 8.077 . . 2 . . . . 9 A H8 . 7354 1 55 . 1 1 10 10 DG H1' H 1 5.555 . . 1 . . . . 10 G H1' . 7354 1 56 . 1 1 10 10 DG H2' H 1 2.339 . . 1 . . . . 10 G H2' . 7354 1 57 . 1 1 10 10 DG H2'' H 1 2.438 . . 1 . . . . 10 G H2'' . 7354 1 58 . 1 1 10 10 DG H3' H 1 4.918 . . 1 . . . . 10 G H3' . 7354 1 59 . 1 1 10 10 DG H4' H 1 4.273 . . 1 . . . . 10 G H4' . 7354 1 60 . 1 1 10 10 DG H8 H 1 7.581 . . 2 . . . . 10 G H8 . 7354 1 61 . 1 1 11 11 DC H1' H 1 6.351 . . 1 . . . . 11 C H1' . 7354 1 62 . 1 1 11 11 DC H2' H 1 1.265 . . 1 . . . . 11 C H2' . 7354 1 63 . 1 1 11 11 DC H2'' H 1 2.183 . . 1 . . . . 11 C H2'' . 7354 1 64 . 1 1 11 11 DC H3' H 1 4.885 . . 1 . . . . 11 C H3' . 7354 1 65 . 1 1 11 11 DC H4' H 1 3.961 . . 1 . . . . 11 C H4' . 7354 1 66 . 1 1 11 11 DC H5 H 1 5.343 . . 2 . . . . 11 C H5 . 7354 1 67 . 1 1 11 11 DC H6 H 1 6.844 . . 2 . . . . 11 C H6 . 7354 1 68 . 1 1 11 11 DC H41 H 1 5.609 . . 4 . . . . 11 C H41 . 7354 1 69 . 1 1 11 11 DC H42 H 1 8.020 . . 4 . . . . 11 C H42 . 7354 1 70 . 1 1 12 12 DG H1' H 1 6.044 . . 1 . . . . 12 G H1' . 7354 1 71 . 1 1 12 12 DG H2' H 1 2.563 . . 1 . . . . 12 G H2' . 7354 1 72 . 1 1 12 12 DG H2'' H 1 2.937 . . 1 . . . . 12 G H2'' . 7354 1 73 . 1 1 12 12 DG H3' H 1 5.045 . . 1 . . . . 12 G H3' . 7354 1 74 . 1 1 12 12 DG H4' H 1 4.049 . . 1 . . . . 12 G H4' . 7354 1 75 . 1 1 12 12 DG H5'' H 1 3.762 . . 1 . . . . 12 G H5'' . 7354 1 76 . 1 1 12 12 DG H8 H 1 8.286 . . 2 . . . . 12 G H8 . 7354 1 77 . 1 1 13 13 DC H1' H 1 5.508 . . 1 . . . . 13 C H1' . 7354 1 78 . 1 1 13 13 DC H2' H 1 1.786 . . 1 . . . . 13 C H2' . 7354 1 79 . 1 1 13 13 DC H2'' H 1 2.252 . . 1 . . . . 13 C H2'' . 7354 1 80 . 1 1 13 13 DC H3' H 1 4.403 . . 1 . . . . 13 C H3' . 7354 1 81 . 1 1 13 13 DC H4' H 1 3.618 . . 1 . . . . 13 C H4' . 7354 1 82 . 1 1 13 13 DC H5 H 1 5.114 . . 2 . . . . 13 C H5 . 7354 1 83 . 1 1 13 13 DC H5' H 1 4.242 . . 1 . . . . 13 C H5' . 7354 1 84 . 1 1 13 13 DC H6 H 1 6.976 . . 2 . . . . 13 C H6 . 7354 1 85 . 1 1 14 14 DT H1' H 1 6.057 . . 1 . . . . 14 T H1' . 7354 1 86 . 1 1 14 14 DT H2' H 1 1.844 . . 1 . . . . 14 T H2' . 7354 1 87 . 1 1 14 14 DT H2'' H 1 2.487 . . 1 . . . . 14 T H2'' . 7354 1 88 . 1 1 14 14 DT H4' H 1 3.799 . . 1 . . . . 14 T H4' . 7354 1 89 . 1 1 14 14 DT H6 H 1 7.118 . . 2 . . . . 14 T H6 . 7354 1 90 . 1 1 14 14 DT H71 H 1 1.301 . . 4 . . . . 14 T H71 . 7354 1 91 . 1 1 14 14 DT H72 H 1 1.301 . . 4 . . . . 14 T H71 . 7354 1 92 . 1 1 14 14 DT H73 H 1 1.301 . . 4 . . . . 14 T H71 . 7354 1 93 . 1 1 15 15 DT H1' H 1 5.173 . . 1 . . . . 15 T H1' . 7354 1 94 . 1 1 15 15 DT H2' H 1 2.224 . . 1 . . . . 15 T H2' . 7354 1 95 . 1 1 15 15 DT H3' H 1 4.858 . . 1 . . . . 15 T H3' . 7354 1 96 . 1 1 15 15 DT H4' H 1 4.066 . . 1 . . . . 15 T H4' . 7354 1 97 . 1 1 15 15 DT H6 H 1 7.477 . . 2 . . . . 15 T H6 . 7354 1 98 . 1 1 15 15 DT H71 H 1 1.675 . . 4 . . . . 15 T H71 . 7354 1 99 . 1 1 15 15 DT H72 H 1 1.675 . . 4 . . . . 15 T H71 . 7354 1 100 . 1 1 15 15 DT H73 H 1 1.675 . . 4 . . . . 15 T H71 . 7354 1 101 . 1 1 16 16 DA H1' H 1 6.285 . . 1 . . . . 16 A H1' . 7354 1 102 . 1 1 16 16 DA H2 H 1 7.708 . . 2 . . . . 16 A H2 . 7354 1 103 . 1 1 16 16 DA H2' H 1 2.762 . . 1 . . . . 16 A H2' . 7354 1 104 . 1 1 16 16 DA H2'' H 1 2.904 . . 1 . . . . 16 A H2'' . 7354 1 105 . 1 1 16 16 DA H3' H 1 5.060 . . 1 . . . . 16 A H3' . 7354 1 106 . 1 1 16 16 DA H4' H 1 4.454 . . 1 . . . . 16 A H4' . 7354 1 107 . 1 1 16 16 DA H5' H 1 4.217 . . 1 . . . . 16 A H5' . 7354 1 108 . 1 1 16 16 DA H8 H 1 8.281 . . 2 . . . . 16 A H8 . 7354 1 109 . 1 1 17 17 DC H1' H 1 5.469 . . 1 . . . . 17 C H1' . 7354 1 110 . 1 1 17 17 DC H2' H 1 2.124 . . 1 . . . . 17 C H2' . 7354 1 111 . 1 1 17 17 DC H2'' H 1 2.509 . . 1 . . . . 17 C H2'' . 7354 1 112 . 1 1 17 17 DC H3' H 1 4.865 . . 1 . . . . 17 C H3' . 7354 1 113 . 1 1 17 17 DC H5 H 1 5.468 . . 2 . . . . 17 C H5 . 7354 1 114 . 1 1 17 17 DC H6 H 1 7.374 . . 2 . . . . 17 C H6 . 7354 1 115 . 1 1 17 17 DC H41 H 1 6.426 . . 4 . . . . 17 C H41 . 7354 1 116 . 1 1 17 17 DC H42 H 1 8.083 . . 4 . . . . 17 C H42 . 7354 1 117 . 1 1 18 18 DA H1' H 1 5.922 . . 1 . . . . 18 A H1' . 7354 1 118 . 1 1 18 18 DA H2 H 1 6.638 . . 2 . . . . 18 A H2 . 7354 1 119 . 1 1 18 18 DA H3' H 1 5.015 . . 1 . . . . 18 A H3' . 7354 1 120 . 1 1 18 18 DA H8 H 1 8.073 . . 2 . . . . 18 A H8 . 7354 1 121 . 1 1 19 19 DA H1' H 1 6.182 . . 1 . . . . 19 A H1' . 7354 1 122 . 1 1 19 19 DA H2 H 1 7.615 . . 2 . . . . 19 A H2 . 7354 1 123 . 1 1 19 19 DA H2' H 1 2.558 . . 1 . . . . 19 A H2' . 7354 1 124 . 1 1 19 19 DA H2'' H 1 2.910 . . 1 . . . . 19 A H2'' . 7354 1 125 . 1 1 19 19 DA H3' H 1 5.009 . . 1 . . . . 19 A H3' . 7354 1 126 . 1 1 19 19 DA H8 H 1 8.069 . . 2 . . . . 19 A H8 . 7354 1 127 . 1 1 20 20 DT H1' H 1 5.978 . . 1 . . . . 20 T H1' . 7354 1 128 . 1 1 20 20 DT H2' H 1 2.048 . . 1 . . . . 20 T H2' . 7354 1 129 . 1 1 20 20 DT H2'' H 1 2.558 . . 1 . . . . 20 T H2'' . 7354 1 130 . 1 1 20 20 DT H4' H 1 4.235 . . 1 . . . . 20 T H4' . 7354 1 131 . 1 1 20 20 DT H6 H 1 7.165 . . 2 . . . . 20 T H6 . 7354 1 132 . 1 1 20 20 DT H71 H 1 1.301 . . 4 . . . . 20 T H71 . 7354 1 133 . 1 1 20 20 DT H72 H 1 1.301 . . 4 . . . . 20 T H71 . 7354 1 134 . 1 1 20 20 DT H73 H 1 1.301 . . 4 . . . . 20 T H71 . 7354 1 135 . 1 1 21 21 DT H1' H 1 6.223 . . 1 . . . . 21 T H1' . 7354 1 136 . 1 1 21 21 DT H2' H 1 2.229 . . 1 . . . . 21 T H2' . 7354 1 137 . 1 1 21 21 DT H2'' H 1 2.567 . . 1 . . . . 21 T H2'' . 7354 1 138 . 1 1 21 21 DT H3' H 1 4.936 . . 1 . . . . 21 T H3' . 7354 1 139 . 1 1 21 21 DT H4' H 1 4.232 . . 1 . . . . 21 T H4' . 7354 1 140 . 1 1 21 21 DT H6 H 1 7.435 . . 2 . . . . 21 T H6 . 7354 1 141 . 1 1 21 21 DT H71 H 1 1.653 . . 4 . . . . 21 T H71 . 7354 1 142 . 1 1 21 21 DT H72 H 1 1.653 . . 4 . . . . 21 T H71 . 7354 1 143 . 1 1 21 21 DT H73 H 1 1.653 . . 4 . . . . 21 T H71 . 7354 1 144 . 1 1 22 22 DC H1' H 1 6.329 . . 1 . . . . 22 C H1' . 7354 1 145 . 1 1 22 22 DC H2' H 1 2.316 . . 1 . . . . 22 C H2' . 7354 1 146 . 1 1 22 22 DC H4' H 1 4.100 . . 1 . . . . 22 C H4' . 7354 1 147 . 1 1 22 22 DC H5 H 1 5.891 . . 2 . . . . 22 C H5 . 7354 1 148 . 1 1 22 22 DC H6 H 1 7.701 . . 2 . . . . 22 C H6 . 7354 1 149 . 3 2 2 2 LYS H H 1 8.627 . . 1 . . . . 2 LYS HN . 7354 1 150 . 3 2 2 2 LYS N N 15 125.570 . . 1 . . . . 2 LYS N . 7354 1 151 . 3 2 3 3 PRO HA H 1 4.564 . . 1 . . . . 3 PRO HA . 7354 1 152 . 3 2 3 3 PRO HB2 H 1 1.968 . . 2 . . . . 3 PRO HB1 . 7354 1 153 . 3 2 3 3 PRO HB3 H 1 2.414 . . 2 . . . . 3 PRO HB2 . 7354 1 154 . 3 2 3 3 PRO HD2 H 1 3.921 . . 2 . . . . 3 PRO HD1 . 7354 1 155 . 3 2 3 3 PRO HD3 H 1 3.804 . . 2 . . . . 3 PRO HD2 . 7354 1 156 . 3 2 3 3 PRO HG2 H 1 2.161 . . 2 . . . . 3 PRO HG1 . 7354 1 157 . 3 2 3 3 PRO HG3 H 1 2.049 . . 2 . . . . 3 PRO HG2 . 7354 1 158 . 3 2 3 3 PRO C C 13 176.599 . . 1 . . . . 3 PRO C . 7354 1 159 . 3 2 3 3 PRO CA C 13 62.958 . . 1 . . . . 3 PRO CA . 7354 1 160 . 3 2 3 3 PRO CB C 13 32.301 . . 1 . . . . 3 PRO CB . 7354 1 161 . 3 2 3 3 PRO CD C 13 48.500 . . 1 . . . . 3 PRO CD . 7354 1 162 . 3 2 3 3 PRO CG C 13 25.080 . . 1 . . . . 3 PRO CG . 7354 1 163 . 3 2 4 4 VAL H H 1 8.099 . . 1 . . . . 4 VAL HN . 7354 1 164 . 3 2 4 4 VAL HA H 1 4.328 . . 1 . . . . 4 VAL HA . 7354 1 165 . 3 2 4 4 VAL HB H 1 2.211 . . 1 . . . . 4 VAL HB . 7354 1 166 . 3 2 4 4 VAL HG11 H 1 1.147 . . 2 . . . . 4 VAL HG11 . 7354 1 167 . 3 2 4 4 VAL HG12 H 1 1.147 . . 2 . . . . 4 VAL HG11 . 7354 1 168 . 3 2 4 4 VAL HG13 H 1 1.147 . . 2 . . . . 4 VAL HG11 . 7354 1 169 . 3 2 4 4 VAL HG21 H 1 1.228 . . 2 . . . . 4 VAL HG21 . 7354 1 170 . 3 2 4 4 VAL HG22 H 1 1.228 . . 2 . . . . 4 VAL HG21 . 7354 1 171 . 3 2 4 4 VAL HG23 H 1 1.228 . . 2 . . . . 4 VAL HG21 . 7354 1 172 . 3 2 4 4 VAL C C 13 176.987 . . 1 . . . . 4 VAL C . 7354 1 173 . 3 2 4 4 VAL CA C 13 62.893 . . 1 . . . . 4 VAL CA . 7354 1 174 . 3 2 4 4 VAL CB C 13 32.801 . . 1 . . . . 4 VAL CB . 7354 1 175 . 3 2 4 4 VAL CG1 C 13 19.905 . . 1 . . . . 4 VAL CG1 . 7354 1 176 . 3 2 4 4 VAL CG2 C 13 18.670 . . 1 . . . . 4 VAL CG2 . 7354 1 177 . 3 2 4 4 VAL N N 15 120.569 . . 1 . . . . 4 VAL N . 7354 1 178 . 3 2 5 5 THR H H 1 9.569 . . 1 . . . . 5 THR HN . 7354 1 179 . 3 2 5 5 THR HA H 1 5.272 . . 1 . . . . 5 THR HA . 7354 1 180 . 3 2 5 5 THR HB H 1 4.950 . . 1 . . . . 5 THR HB . 7354 1 181 . 3 2 5 5 THR HG21 H 1 1.635 . . 1 . . . . 5 THR HG21 . 7354 1 182 . 3 2 5 5 THR HG22 H 1 1.635 . . 1 . . . . 5 THR HG21 . 7354 1 183 . 3 2 5 5 THR HG23 H 1 1.635 . . 1 . . . . 5 THR HG21 . 7354 1 184 . 3 2 5 5 THR C C 13 176.500 . . 1 . . . . 5 THR C . 7354 1 185 . 3 2 5 5 THR CA C 13 60.578 . . 1 . . . . 5 THR CA . 7354 1 186 . 3 2 5 5 THR CB C 13 74.285 . . 1 . . . . 5 THR CB . 7354 1 187 . 3 2 5 5 THR CG2 C 13 18.300 . . 1 . . . . 5 THR CG2 . 7354 1 188 . 3 2 5 5 THR N N 15 118.160 . . 1 . . . . 5 THR N . 7354 1 189 . 3 2 6 6 LEU H H 1 10.156 . . 1 . . . . 6 LEU HN . 7354 1 190 . 3 2 6 6 LEU HA H 1 3.432 . . 1 . . . . 6 LEU HA . 7354 1 191 . 3 2 6 6 LEU HB2 H 1 1.581 . . 2 . . . . 6 LEU HB1 . 7354 1 192 . 3 2 6 6 LEU HB3 H 1 1.683 . . 2 . . . . 6 LEU HB2 . 7354 1 193 . 3 2 6 6 LEU HD11 H 1 0.719 . . 2 . . . . 6 LEU HD11 . 7354 1 194 . 3 2 6 6 LEU HD12 H 1 0.719 . . 2 . . . . 6 LEU HD11 . 7354 1 195 . 3 2 6 6 LEU HD13 H 1 0.719 . . 2 . . . . 6 LEU HD11 . 7354 1 196 . 3 2 6 6 LEU HD21 H 1 0.691 . . 2 . . . . 6 LEU HD21 . 7354 1 197 . 3 2 6 6 LEU HD22 H 1 0.691 . . 2 . . . . 6 LEU HD21 . 7354 1 198 . 3 2 6 6 LEU HD23 H 1 0.691 . . 2 . . . . 6 LEU HD21 . 7354 1 199 . 3 2 6 6 LEU HG H 1 1.597 . . 1 . . . . 6 LEU HG . 7354 1 200 . 3 2 6 6 LEU C C 13 178.299 . . 1 . . . . 6 LEU C . 7354 1 201 . 3 2 6 6 LEU CA C 13 58.304 . . 1 . . . . 6 LEU CA . 7354 1 202 . 3 2 6 6 LEU CB C 13 40.640 . . 1 . . . . 6 LEU CB . 7354 1 203 . 3 2 6 6 LEU CD1 C 13 22.478 . . 1 . . . . 6 LEU CD1 . 7354 1 204 . 3 2 6 6 LEU CD2 C 13 24.712 . . 1 . . . . 6 LEU CD2 . 7354 1 205 . 3 2 6 6 LEU CG C 13 24.712 . . 1 . . . . 6 LEU CG . 7354 1 206 . 3 2 6 6 LEU N N 15 121.543 . . 1 . . . . 6 LEU N . 7354 1 207 . 3 2 7 7 TYR H H 1 7.774 . . 1 . . . . 7 TYR HN . 7354 1 208 . 3 2 7 7 TYR HA H 1 4.086 . . 1 . . . . 7 TYR HA . 7354 1 209 . 3 2 7 7 TYR HB2 H 1 2.835 . . 2 . . . . 7 TYR HB1 . 7354 1 210 . 3 2 7 7 TYR HB3 H 1 3.151 . . 2 . . . . 7 TYR HB2 . 7354 1 211 . 3 2 7 7 TYR HD1 H 1 7.329 . . 3 . . . . 7 TYR HD1 . 7354 1 212 . 3 2 7 7 TYR HE1 H 1 6.950 . . 3 . . . . 7 TYR HE1 . 7354 1 213 . 3 2 7 7 TYR C C 13 178.538 . . 1 . . . . 7 TYR C . 7354 1 214 . 3 2 7 7 TYR CA C 13 61.716 . . 1 . . . . 7 TYR CA . 7354 1 215 . 3 2 7 7 TYR CB C 13 37.497 . . 1 . . . . 7 TYR CB . 7354 1 216 . 3 2 7 7 TYR CD1 C 13 131.027 . . 3 . . . . 7 TYR CD1 . 7354 1 217 . 3 2 7 7 TYR CE1 C 13 116.053 . . 3 . . . . 7 TYR CE1 . 7354 1 218 . 3 2 7 7 TYR N N 15 117.849 . . 1 . . . . 7 TYR N . 7354 1 219 . 3 2 8 8 ASP H H 1 7.364 . . 1 . . . . 8 ASP HN . 7354 1 220 . 3 2 8 8 ASP HA H 1 4.483 . . 1 . . . . 8 ASP HA . 7354 1 221 . 3 2 8 8 ASP HB2 H 1 2.726 . . 2 . . . . 8 ASP HB1 . 7354 1 222 . 3 2 8 8 ASP HB3 H 1 3.087 . . 2 . . . . 8 ASP HB2 . 7354 1 223 . 3 2 8 8 ASP C C 13 178.951 . . 1 . . . . 8 ASP C . 7354 1 224 . 3 2 8 8 ASP CA C 13 58.007 . . 1 . . . . 8 ASP CA . 7354 1 225 . 3 2 8 8 ASP CB C 13 41.410 . . 1 . . . . 8 ASP CB . 7354 1 226 . 3 2 8 8 ASP N N 15 119.821 . . 1 . . . . 8 ASP N . 7354 1 227 . 3 2 9 9 VAL H H 1 7.321 . . 1 . . . . 9 VAL HN . 7354 1 228 . 3 2 9 9 VAL HA H 1 3.258 . . 1 . . . . 9 VAL HA . 7354 1 229 . 3 2 9 9 VAL HB H 1 1.750 . . 1 . . . . 9 VAL HB . 7354 1 230 . 3 2 9 9 VAL HG11 H 1 0.389 . . 2 . . . . 9 VAL HG11 . 7354 1 231 . 3 2 9 9 VAL HG12 H 1 0.389 . . 2 . . . . 9 VAL HG11 . 7354 1 232 . 3 2 9 9 VAL HG13 H 1 0.389 . . 2 . . . . 9 VAL HG11 . 7354 1 233 . 3 2 9 9 VAL HG21 H 1 0.722 . . 2 . . . . 9 VAL HG21 . 7354 1 234 . 3 2 9 9 VAL HG22 H 1 0.722 . . 2 . . . . 9 VAL HG21 . 7354 1 235 . 3 2 9 9 VAL HG23 H 1 0.722 . . 2 . . . . 9 VAL HG21 . 7354 1 236 . 3 2 9 9 VAL C C 13 176.522 . . 1 . . . . 9 VAL C . 7354 1 237 . 3 2 9 9 VAL CA C 13 66.032 . . 1 . . . . 9 VAL CA . 7354 1 238 . 3 2 9 9 VAL CB C 13 31.467 . . 1 . . . . 9 VAL CB . 7354 1 239 . 3 2 9 9 VAL CG1 C 13 19.190 . . 1 . . . . 9 VAL CG1 . 7354 1 240 . 3 2 9 9 VAL CG2 C 13 20.750 . . 1 . . . . 9 VAL CG2 . 7354 1 241 . 3 2 9 9 VAL N N 15 119.007 . . 1 . . . . 9 VAL N . 7354 1 242 . 3 2 10 10 ALA H H 1 8.290 . . 1 . . . . 10 ALA HN . 7354 1 243 . 3 2 10 10 ALA HA H 1 3.559 . . 1 . . . . 10 ALA HA . 7354 1 244 . 3 2 10 10 ALA HB1 H 1 1.478 . . 1 . . . . 10 ALA HB1 . 7354 1 245 . 3 2 10 10 ALA HB2 H 1 1.478 . . 1 . . . . 10 ALA HB1 . 7354 1 246 . 3 2 10 10 ALA HB3 H 1 1.478 . . 1 . . . . 10 ALA HB1 . 7354 1 247 . 3 2 10 10 ALA C C 13 179.221 . . 1 . . . . 10 ALA C . 7354 1 248 . 3 2 10 10 ALA CA C 13 54.739 . . 1 . . . . 10 ALA CA . 7354 1 249 . 3 2 10 10 ALA CB C 13 17.707 . . 1 . . . . 10 ALA CB . 7354 1 250 . 3 2 10 10 ALA N N 15 122.114 . . 1 . . . . 10 ALA N . 7354 1 251 . 3 2 11 11 GLU H H 1 7.843 . . 1 . . . . 11 GLU HN . 7354 1 252 . 3 2 11 11 GLU HA H 1 4.152 . . 1 . . . . 11 GLU HA . 7354 1 253 . 3 2 11 11 GLU HB2 H 1 2.226 . . 2 . . . . 11 GLU HB1 . 7354 1 254 . 3 2 11 11 GLU HB3 H 1 2.226 . . 2 . . . . 11 GLU HB2 . 7354 1 255 . 3 2 11 11 GLU HG2 H 1 2.483 . . 2 . . . . 11 GLU HG1 . 7354 1 256 . 3 2 11 11 GLU HG3 H 1 2.395 . . 2 . . . . 11 GLU HG2 . 7354 1 257 . 3 2 11 11 GLU C C 13 178.883 . . 1 . . . . 11 GLU C . 7354 1 258 . 3 2 11 11 GLU CA C 13 58.998 . . 1 . . . . 11 GLU CA . 7354 1 259 . 3 2 11 11 GLU CB C 13 29.431 . . 1 . . . . 11 GLU CB . 7354 1 260 . 3 2 11 11 GLU CG C 13 33.280 . . 1 . . . . 11 GLU CG . 7354 1 261 . 3 2 11 11 GLU N N 15 116.721 . . 1 . . . . 11 GLU N . 7354 1 262 . 3 2 12 12 TYR H H 1 7.873 . . 1 . . . . 12 TYR HN . 7354 1 263 . 3 2 12 12 TYR HA H 1 4.182 . . 1 . . . . 12 TYR HA . 7354 1 264 . 3 2 12 12 TYR HB2 H 1 3.267 . . 2 . . . . 12 TYR HB1 . 7354 1 265 . 3 2 12 12 TYR HB3 H 1 3.056 . . 2 . . . . 12 TYR HB2 . 7354 1 266 . 3 2 12 12 TYR HD1 H 1 7.116 . . 3 . . . . 12 TYR HD1 . 7354 1 267 . 3 2 12 12 TYR HE1 H 1 6.878 . . 3 . . . . 12 TYR HE1 . 7354 1 268 . 3 2 12 12 TYR C C 13 177.642 . . 1 . . . . 12 TYR C . 7354 1 269 . 3 2 12 12 TYR CA C 13 60.922 . . 1 . . . . 12 TYR CA . 7354 1 270 . 3 2 12 12 TYR CB C 13 39.487 . . 1 . . . . 12 TYR CB . 7354 1 271 . 3 2 12 12 TYR CD1 C 13 130.468 . . 3 . . . . 12 TYR CD1 . 7354 1 272 . 3 2 12 12 TYR CE1 C 13 115.374 . . 3 . . . . 12 TYR CE1 . 7354 1 273 . 3 2 12 12 TYR CG C 13 175.115 . . 1 . . . . 12 TYR CG . 7354 1 274 . 3 2 12 12 TYR N N 15 120.380 . . 1 . . . . 12 TYR N . 7354 1 275 . 3 2 13 13 ALA H H 1 8.408 . . 1 . . . . 13 ALA HN . 7354 1 276 . 3 2 13 13 ALA HA H 1 4.395 . . 1 . . . . 13 ALA HA . 7354 1 277 . 3 2 13 13 ALA HB1 H 1 1.367 . . 1 . . . . 13 ALA HB1 . 7354 1 278 . 3 2 13 13 ALA HB2 H 1 1.367 . . 1 . . . . 13 ALA HB1 . 7354 1 279 . 3 2 13 13 ALA HB3 H 1 1.367 . . 1 . . . . 13 ALA HB1 . 7354 1 280 . 3 2 13 13 ALA C C 13 176.626 . . 1 . . . . 13 ALA C . 7354 1 281 . 3 2 13 13 ALA CA C 13 52.132 . . 1 . . . . 13 ALA CA . 7354 1 282 . 3 2 13 13 ALA CB C 13 19.779 . . 1 . . . . 13 ALA CB . 7354 1 283 . 3 2 13 13 ALA N N 15 117.017 . . 1 . . . . 13 ALA N . 7354 1 284 . 3 2 14 14 GLY H H 1 7.996 . . 1 . . . . 14 GLY HN . 7354 1 285 . 3 2 14 14 GLY HA2 H 1 3.999 . . 2 . . . . 14 GLY HA2 . 7354 1 286 . 3 2 14 14 GLY C C 13 175.248 . . 1 . . . . 14 GLY C . 7354 1 287 . 3 2 14 14 GLY CA C 13 46.952 . . 1 . . . . 14 GLY CA . 7354 1 288 . 3 2 14 14 GLY N N 15 108.593 . . 1 . . . . 14 GLY N . 7354 1 289 . 3 2 15 15 VAL H H 1 7.935 . . 1 . . . . 15 VAL HN . 7354 1 290 . 3 2 15 15 VAL HA H 1 5.051 . . 1 . . . . 15 VAL HA . 7354 1 291 . 3 2 15 15 VAL HB H 1 2.346 . . 1 . . . . 15 VAL HB . 7354 1 292 . 3 2 15 15 VAL HG11 H 1 0.746 . . 2 . . . . 15 VAL HG11 . 7354 1 293 . 3 2 15 15 VAL HG12 H 1 0.746 . . 2 . . . . 15 VAL HG11 . 7354 1 294 . 3 2 15 15 VAL HG13 H 1 0.746 . . 2 . . . . 15 VAL HG11 . 7354 1 295 . 3 2 15 15 VAL HG21 H 1 0.926 . . 2 . . . . 15 VAL HG21 . 7354 1 296 . 3 2 15 15 VAL HG22 H 1 0.926 . . 2 . . . . 15 VAL HG21 . 7354 1 297 . 3 2 15 15 VAL HG23 H 1 0.926 . . 2 . . . . 15 VAL HG21 . 7354 1 298 . 3 2 15 15 VAL C C 13 173.553 . . 1 . . . . 15 VAL C . 7354 1 299 . 3 2 15 15 VAL CA C 13 58.387 . . 1 . . . . 15 VAL CA . 7354 1 300 . 3 2 15 15 VAL CB C 13 35.424 . . 1 . . . . 15 VAL CB . 7354 1 301 . 3 2 15 15 VAL CG1 C 13 16.063 . . 1 . . . . 15 VAL CG1 . 7354 1 302 . 3 2 15 15 VAL CG2 C 13 18.441 . . 1 . . . . 15 VAL CG2 . 7354 1 303 . 3 2 15 15 VAL N N 15 110.430 . . 1 . . . . 15 VAL N . 7354 1 304 . 3 2 16 16 SER H H 1 8.643 . . 1 . . . . 16 SER HN . 7354 1 305 . 3 2 16 16 SER HA H 1 4.948 . . 1 . . . . 16 SER HA . 7354 1 306 . 3 2 16 16 SER HB2 H 1 4.235 . . 2 . . . . 16 SER HB1 . 7354 1 307 . 3 2 16 16 SER HB3 H 1 4.214 . . 2 . . . . 16 SER HB2 . 7354 1 308 . 3 2 16 16 SER C C 13 177.289 . . 1 . . . . 16 SER C . 7354 1 309 . 3 2 16 16 SER CA C 13 57.873 . . 1 . . . . 16 SER CA . 7354 1 310 . 3 2 16 16 SER CB C 13 68.269 . . 1 . . . . 16 SER CB . 7354 1 311 . 3 2 16 16 SER N N 15 113.548 . . 1 . . . . 16 SER N . 7354 1 312 . 3 2 17 17 VAL H H 1 9.028 . . 1 . . . . 17 VAL HN . 7354 1 313 . 3 2 17 17 VAL HA H 1 3.594 . . 1 . . . . 17 VAL HA . 7354 1 314 . 3 2 17 17 VAL HB H 1 1.935 . . 1 . . . . 17 VAL HB . 7354 1 315 . 3 2 17 17 VAL HG11 H 1 0.790 . . 2 . . . . 17 VAL HG11 . 7354 1 316 . 3 2 17 17 VAL HG12 H 1 0.790 . . 2 . . . . 17 VAL HG11 . 7354 1 317 . 3 2 17 17 VAL HG13 H 1 0.790 . . 2 . . . . 17 VAL HG11 . 7354 1 318 . 3 2 17 17 VAL HG21 H 1 0.924 . . 2 . . . . 17 VAL HG21 . 7354 1 319 . 3 2 17 17 VAL HG22 H 1 0.924 . . 2 . . . . 17 VAL HG21 . 7354 1 320 . 3 2 17 17 VAL HG23 H 1 0.924 . . 2 . . . . 17 VAL HG21 . 7354 1 321 . 3 2 17 17 VAL C C 13 177.021 . . 1 . . . . 17 VAL C . 7354 1 322 . 3 2 17 17 VAL CA C 13 66.882 . . 1 . . . . 17 VAL CA . 7354 1 323 . 3 2 17 17 VAL CB C 13 31.704 . . 1 . . . . 17 VAL CB . 7354 1 324 . 3 2 17 17 VAL CG1 C 13 20.310 . . 1 . . . . 17 VAL CG1 . 7354 1 325 . 3 2 17 17 VAL CG2 C 13 17.028 . . 1 . . . . 17 VAL CG2 . 7354 1 326 . 3 2 17 17 VAL N N 15 113.639 . . 1 . . . . 17 VAL N . 7354 1 327 . 3 2 18 18 ALA H H 1 6.335 . . 1 . . . . 18 ALA HN . 7354 1 328 . 3 2 18 18 ALA HA H 1 4.117 . . 1 . . . . 18 ALA HA . 7354 1 329 . 3 2 18 18 ALA HB1 H 1 1.305 . . 1 . . . . 18 ALA HB1 . 7354 1 330 . 3 2 18 18 ALA HB2 H 1 1.305 . . 1 . . . . 18 ALA HB1 . 7354 1 331 . 3 2 18 18 ALA HB3 H 1 1.305 . . 1 . . . . 18 ALA HB1 . 7354 1 332 . 3 2 18 18 ALA C C 13 179.322 . . 1 . . . . 18 ALA C . 7354 1 333 . 3 2 18 18 ALA CA C 13 55.013 . . 1 . . . . 18 ALA CA . 7354 1 334 . 3 2 18 18 ALA CB C 13 19.255 . . 1 . . . . 18 ALA CB . 7354 1 335 . 3 2 18 18 ALA N N 15 120.860 . . 1 . . . . 18 ALA N . 7354 1 336 . 3 2 19 19 THR H H 1 6.996 . . 1 . . . . 19 THR HN . 7354 1 337 . 3 2 19 19 THR HA H 1 4.331 . . 1 . . . . 19 THR HA . 7354 1 338 . 3 2 19 19 THR HB H 1 4.085 . . 1 . . . . 19 THR HB . 7354 1 339 . 3 2 19 19 THR HG21 H 1 1.135 . . 1 . . . . 19 THR HG21 . 7354 1 340 . 3 2 19 19 THR HG22 H 1 1.135 . . 1 . . . . 19 THR HG21 . 7354 1 341 . 3 2 19 19 THR HG23 H 1 1.135 . . 1 . . . . 19 THR HG21 . 7354 1 342 . 3 2 19 19 THR C C 13 175.719 . . 1 . . . . 19 THR C . 7354 1 343 . 3 2 19 19 THR CA C 13 67.389 . . 1 . . . . 19 THR CA . 7354 1 344 . 3 2 19 19 THR CB C 13 65.789 . . 1 . . . . 19 THR CB . 7354 1 345 . 3 2 19 19 THR CG2 C 13 22.200 . . 1 . . . . 19 THR CG2 . 7354 1 346 . 3 2 19 19 THR N N 15 115.828 . . 1 . . . . 19 THR N . 7354 1 347 . 3 2 20 20 VAL H H 1 7.288 . . 1 . . . . 20 VAL HN . 7354 1 348 . 3 2 20 20 VAL HA H 1 3.411 . . 1 . . . . 20 VAL HA . 7354 1 349 . 3 2 20 20 VAL HB H 1 1.990 . . 1 . . . . 20 VAL HB . 7354 1 350 . 3 2 20 20 VAL HG11 H 1 0.774 . . 2 . . . . 20 VAL HG11 . 7354 1 351 . 3 2 20 20 VAL HG12 H 1 0.774 . . 2 . . . . 20 VAL HG11 . 7354 1 352 . 3 2 20 20 VAL HG13 H 1 0.774 . . 2 . . . . 20 VAL HG11 . 7354 1 353 . 3 2 20 20 VAL HG21 H 1 0.818 . . 2 . . . . 20 VAL HG21 . 7354 1 354 . 3 2 20 20 VAL HG22 H 1 0.818 . . 2 . . . . 20 VAL HG21 . 7354 1 355 . 3 2 20 20 VAL HG23 H 1 0.818 . . 2 . . . . 20 VAL HG21 . 7354 1 356 . 3 2 20 20 VAL C C 13 176.554 . . 1 . . . . 20 VAL C . 7354 1 357 . 3 2 20 20 VAL CA C 13 67.657 . . 1 . . . . 20 VAL CA . 7354 1 358 . 3 2 20 20 VAL CB C 13 30.868 . . 1 . . . . 20 VAL CB . 7354 1 359 . 3 2 20 20 VAL CG1 C 13 19.442 . . 1 . . . . 20 VAL CG1 . 7354 1 360 . 3 2 20 20 VAL CG2 C 13 19.442 . . 1 . . . . 20 VAL CG2 . 7354 1 361 . 3 2 20 20 VAL N N 15 119.314 . . 1 . . . . 20 VAL N . 7354 1 362 . 3 2 21 21 SER H H 1 7.846 . . 1 . . . . 21 SER HN . 7354 1 363 . 3 2 21 21 SER HA H 1 3.966 . . 1 . . . . 21 SER HA . 7354 1 364 . 3 2 21 21 SER C C 13 178.570 . . 1 . . . . 21 SER C . 7354 1 365 . 3 2 21 21 SER CA C 13 61.361 . . 1 . . . . 21 SER CA . 7354 1 366 . 3 2 21 21 SER CB C 13 63.626 . . 1 . . . . 21 SER CB . 7354 1 367 . 3 2 21 21 SER N N 15 112.505 . . 1 . . . . 21 SER N . 7354 1 368 . 3 2 22 22 ARG H H 1 8.351 . . 1 . . . . 22 ARG HN . 7354 1 369 . 3 2 22 22 ARG HA H 1 4.046 . . 1 . . . . 22 ARG HA . 7354 1 370 . 3 2 22 22 ARG HB2 H 1 1.969 . . 2 . . . . 22 ARG HB1 . 7354 1 371 . 3 2 22 22 ARG HB3 H 1 1.825 . . 2 . . . . 22 ARG HB2 . 7354 1 372 . 3 2 22 22 ARG HE H 1 6.936 . . 1 . . . . 22 ARG HE . 7354 1 373 . 3 2 22 22 ARG HG2 H 1 1.569 . . 2 . . . . 22 ARG HG1 . 7354 1 374 . 3 2 22 22 ARG HG3 H 1 1.489 . . 2 . . . . 22 ARG HG2 . 7354 1 375 . 3 2 22 22 ARG C C 13 178.442 . . 1 . . . . 22 ARG C . 7354 1 376 . 3 2 22 22 ARG CA C 13 59.841 . . 1 . . . . 22 ARG CA . 7354 1 377 . 3 2 22 22 ARG CB C 13 40.076 . . 1 . . . . 22 ARG CB . 7354 1 378 . 3 2 22 22 ARG CD C 13 41.185 . . 1 . . . . 22 ARG CD . 7354 1 379 . 3 2 22 22 ARG CG C 13 27.116 . . 1 . . . . 22 ARG CG . 7354 1 380 . 3 2 22 22 ARG N N 15 118.722 . . 1 . . . . 22 ARG N . 7354 1 381 . 3 2 22 22 ARG NE N 15 83.201 . . 1 . . . . 22 ARG NE . 7354 1 382 . 3 2 23 23 VAL H H 1 7.997 . . 1 . . . . 23 VAL HN . 7354 1 383 . 3 2 23 23 VAL HA H 1 3.755 . . 1 . . . . 23 VAL HA . 7354 1 384 . 3 2 23 23 VAL HB H 1 2.326 . . 1 . . . . 23 VAL HB . 7354 1 385 . 3 2 23 23 VAL HG11 H 1 1.069 . . 2 . . . . 23 VAL HG11 . 7354 1 386 . 3 2 23 23 VAL HG12 H 1 1.069 . . 2 . . . . 23 VAL HG11 . 7354 1 387 . 3 2 23 23 VAL HG13 H 1 1.069 . . 2 . . . . 23 VAL HG11 . 7354 1 388 . 3 2 23 23 VAL HG21 H 1 1.147 . . 2 . . . . 23 VAL HG21 . 7354 1 389 . 3 2 23 23 VAL HG22 H 1 1.147 . . 2 . . . . 23 VAL HG21 . 7354 1 390 . 3 2 23 23 VAL HG23 H 1 1.147 . . 2 . . . . 23 VAL HG21 . 7354 1 391 . 3 2 23 23 VAL C C 13 180.180 . . 1 . . . . 23 VAL C . 7354 1 392 . 3 2 23 23 VAL CA C 13 66.878 . . 1 . . . . 23 VAL CA . 7354 1 393 . 3 2 23 23 VAL CB C 13 31.593 . . 1 . . . . 23 VAL CB . 7354 1 394 . 3 2 23 23 VAL CG1 C 13 19.123 . . 1 . . . . 23 VAL CG1 . 7354 1 395 . 3 2 23 23 VAL CG2 C 13 22.243 . . 1 . . . . 23 VAL CG2 . 7354 1 396 . 3 2 23 23 VAL N N 15 119.616 . . 1 . . . . 23 VAL N . 7354 1 397 . 3 2 24 24 VAL H H 1 8.784 . . 1 . . . . 24 VAL HN . 7354 1 398 . 3 2 24 24 VAL HA H 1 3.613 . . 1 . . . . 24 VAL HA . 7354 1 399 . 3 2 24 24 VAL HB H 1 2.305 . . 1 . . . . 24 VAL HB . 7354 1 400 . 3 2 24 24 VAL HG11 H 1 0.962 . . 2 . . . . 24 VAL HG11 . 7354 1 401 . 3 2 24 24 VAL HG12 H 1 0.962 . . 2 . . . . 24 VAL HG11 . 7354 1 402 . 3 2 24 24 VAL HG13 H 1 0.962 . . 2 . . . . 24 VAL HG11 . 7354 1 403 . 3 2 24 24 VAL HG21 H 1 1.212 . . 2 . . . . 24 VAL HG21 . 7354 1 404 . 3 2 24 24 VAL HG22 H 1 1.212 . . 2 . . . . 24 VAL HG21 . 7354 1 405 . 3 2 24 24 VAL HG23 H 1 1.212 . . 2 . . . . 24 VAL HG21 . 7354 1 406 . 3 2 24 24 VAL C C 13 177.107 . . 1 . . . . 24 VAL C . 7354 1 407 . 3 2 24 24 VAL CA C 13 66.505 . . 1 . . . . 24 VAL CA . 7354 1 408 . 3 2 24 24 VAL CB C 13 32.003 . . 1 . . . . 24 VAL CB . 7354 1 409 . 3 2 24 24 VAL CG1 C 13 18.295 . . 1 . . . . 24 VAL CG1 . 7354 1 410 . 3 2 24 24 VAL CG2 C 13 21.758 . . 1 . . . . 24 VAL CG2 . 7354 1 411 . 3 2 24 24 VAL N N 15 123.157 . . 1 . . . . 24 VAL N . 7354 1 412 . 3 2 25 25 ASN H H 1 7.860 . . 1 . . . . 25 ASN HN . 7354 1 413 . 3 2 25 25 ASN HA H 1 4.700 . . 1 . . . . 25 ASN HA . 7354 1 414 . 3 2 25 25 ASN HB2 H 1 2.669 . . 2 . . . . 25 ASN HB1 . 7354 1 415 . 3 2 25 25 ASN HB3 H 1 2.879 . . 2 . . . . 25 ASN HB2 . 7354 1 416 . 3 2 25 25 ASN HD21 H 1 7.590 . . 2 . . . . 25 ASN HD21 . 7354 1 417 . 3 2 25 25 ASN HD22 H 1 8.059 . . 2 . . . . 25 ASN HD22 . 7354 1 418 . 3 2 25 25 ASN C C 13 173.455 . . 1 . . . . 25 ASN C . 7354 1 419 . 3 2 25 25 ASN CA C 13 55.605 . . 1 . . . . 25 ASN CA . 7354 1 420 . 3 2 25 25 ASN CB C 13 39.609 . . 1 . . . . 25 ASN CB . 7354 1 421 . 3 2 25 25 ASN N N 15 113.855 . . 1 . . . . 25 ASN N . 7354 1 422 . 3 2 25 25 ASN ND2 N 15 118.980 . . 1 . . . . 25 ASN ND2 . 7354 1 423 . 3 2 26 26 GLN H H 1 7.843 . . 1 . . . . 26 GLN HN . 7354 1 424 . 3 2 26 26 GLN HA H 1 4.009 . . 1 . . . . 26 GLN HA . 7354 1 425 . 3 2 26 26 GLN HB2 H 1 2.227 . . 2 . . . . 26 GLN HB1 . 7354 1 426 . 3 2 26 26 GLN HB3 H 1 2.227 . . 2 . . . . 26 GLN HB2 . 7354 1 427 . 3 2 26 26 GLN HE21 H 1 6.784 . . 2 . . . . 26 GLN HE21 . 7354 1 428 . 3 2 26 26 GLN HE22 H 1 7.484 . . 2 . . . . 26 GLN HE22 . 7354 1 429 . 3 2 26 26 GLN HG2 H 1 2.324 . . 2 . . . . 26 GLN HG1 . 7354 1 430 . 3 2 26 26 GLN HG3 H 1 2.324 . . 2 . . . . 26 GLN HG2 . 7354 1 431 . 3 2 26 26 GLN C C 13 175.096 . . 1 . . . . 26 GLN C . 7354 1 432 . 3 2 26 26 GLN CA C 13 56.574 . . 1 . . . . 26 GLN CA . 7354 1 433 . 3 2 26 26 GLN CB C 13 25.973 . . 1 . . . . 26 GLN CB . 7354 1 434 . 3 2 26 26 GLN CG C 13 31.464 . . 1 . . . . 26 GLN CG . 7354 1 435 . 3 2 26 26 GLN N N 15 116.722 . . 1 . . . . 26 GLN N . 7354 1 436 . 3 2 26 26 GLN NE2 N 15 111.767 . . 1 . . . . 26 GLN NE2 . 7354 1 437 . 3 2 27 27 ALA H H 1 8.651 . . 1 . . . . 27 ALA HN . 7354 1 438 . 3 2 27 27 ALA HA H 1 4.341 . . 1 . . . . 27 ALA HA . 7354 1 439 . 3 2 27 27 ALA HB1 H 1 1.486 . . 1 . . . . 27 ALA HB1 . 7354 1 440 . 3 2 27 27 ALA HB2 H 1 1.486 . . 1 . . . . 27 ALA HB1 . 7354 1 441 . 3 2 27 27 ALA HB3 H 1 1.486 . . 1 . . . . 27 ALA HB1 . 7354 1 442 . 3 2 27 27 ALA C C 13 178.087 . . 1 . . . . 27 ALA C . 7354 1 443 . 3 2 27 27 ALA CA C 13 52.142 . . 1 . . . . 27 ALA CA . 7354 1 444 . 3 2 27 27 ALA CB C 13 19.861 . . 1 . . . . 27 ALA CB . 7354 1 445 . 3 2 27 27 ALA N N 15 120.858 . . 1 . . . . 27 ALA N . 7354 1 446 . 3 2 28 28 SER H H 1 8.144 . . 1 . . . . 28 SER HN . 7354 1 447 . 3 2 28 28 SER HA H 1 4.282 . . 1 . . . . 28 SER HA . 7354 1 448 . 3 2 28 28 SER HB2 H 1 3.561 . . 2 . . . . 28 SER HB1 . 7354 1 449 . 3 2 28 28 SER HB3 H 1 3.561 . . 2 . . . . 28 SER HB2 . 7354 1 450 . 3 2 28 28 SER C C 13 174.775 . . 1 . . . . 28 SER C . 7354 1 451 . 3 2 28 28 SER CA C 13 59.419 . . 1 . . . . 28 SER CA . 7354 1 452 . 3 2 28 28 SER CB C 13 63.720 . . 1 . . . . 28 SER CB . 7354 1 453 . 3 2 28 28 SER N N 15 113.376 . . 1 . . . . 28 SER N . 7354 1 454 . 3 2 29 29 HIS H H 1 8.202 . . 1 . . . . 29 HIS HN . 7354 1 455 . 3 2 29 29 HIS HA H 1 5.166 . . 1 . . . . 29 HIS HA . 7354 1 456 . 3 2 29 29 HIS HB2 H 1 2.956 . . 2 . . . . 29 HIS HB1 . 7354 1 457 . 3 2 29 29 HIS HB3 H 1 3.353 . . 2 . . . . 29 HIS HB2 . 7354 1 458 . 3 2 29 29 HIS HD2 H 1 7.411 . . 3 . . . . 29 HIS HD2 . 7354 1 459 . 3 2 29 29 HIS HE1 H 1 8.788 . . 1 . . . . 29 HIS HE1 . 7354 1 460 . 3 2 29 29 HIS C C 13 173.571 . . 1 . . . . 29 HIS C . 7354 1 461 . 3 2 29 29 HIS CA C 13 55.158 . . 1 . . . . 29 HIS CA . 7354 1 462 . 3 2 29 29 HIS CB C 13 26.420 . . 1 . . . . 29 HIS CB . 7354 1 463 . 3 2 29 29 HIS CD2 C 13 118.320 . . 1 . . . . 29 HIS CD2 . 7354 1 464 . 3 2 29 29 HIS CE1 C 13 134.686 . . 1 . . . . 29 HIS CE1 . 7354 1 465 . 3 2 29 29 HIS N N 15 114.073 . . 1 . . . . 29 HIS N . 7354 1 466 . 3 2 30 30 VAL H H 1 7.553 . . 1 . . . . 30 VAL HN . 7354 1 467 . 3 2 30 30 VAL HA H 1 4.679 . . 1 . . . . 30 VAL HA . 7354 1 468 . 3 2 30 30 VAL HB H 1 1.795 . . 1 . . . . 30 VAL HB . 7354 1 469 . 3 2 30 30 VAL HG11 H 1 1.044 . . 2 . . . . 30 VAL HG11 . 7354 1 470 . 3 2 30 30 VAL HG12 H 1 1.044 . . 2 . . . . 30 VAL HG11 . 7354 1 471 . 3 2 30 30 VAL HG13 H 1 1.044 . . 2 . . . . 30 VAL HG11 . 7354 1 472 . 3 2 30 30 VAL HG21 H 1 0.839 . . 2 . . . . 30 VAL HG21 . 7354 1 473 . 3 2 30 30 VAL HG22 H 1 0.839 . . 2 . . . . 30 VAL HG21 . 7354 1 474 . 3 2 30 30 VAL HG23 H 1 0.839 . . 2 . . . . 30 VAL HG21 . 7354 1 475 . 3 2 30 30 VAL CA C 13 60.468 . . 1 . . . . 30 VAL CA . 7354 1 476 . 3 2 30 30 VAL CB C 13 33.806 . . 1 . . . . 30 VAL CB . 7354 1 477 . 3 2 30 30 VAL CG1 C 13 18.670 . . 1 . . . . 30 VAL CG1 . 7354 1 478 . 3 2 30 30 VAL CG2 C 13 18.670 . . 1 . . . . 30 VAL CG2 . 7354 1 479 . 3 2 30 30 VAL N N 15 118.752 . . 1 . . . . 30 VAL N . 7354 1 480 . 3 2 31 31 SER H H 1 9.820 . . 1 . . . . 31 SER HN . 7354 1 481 . 3 2 31 31 SER HA H 1 4.505 . . 1 . . . . 31 SER HA . 7354 1 482 . 3 2 31 31 SER HB2 H 1 4.088 . . 2 . . . . 31 SER HB1 . 7354 1 483 . 3 2 31 31 SER HB3 H 1 4.377 . . 2 . . . . 31 SER HB2 . 7354 1 484 . 3 2 31 31 SER C C 13 174.447 . . 1 . . . . 31 SER C . 7354 1 485 . 3 2 31 31 SER CA C 13 58.858 . . 1 . . . . 31 SER CA . 7354 1 486 . 3 2 31 31 SER CB C 13 64.346 . . 1 . . . . 31 SER CB . 7354 1 487 . 3 2 31 31 SER N N 15 126.317 . . 1 . . . . 31 SER N . 7354 1 488 . 3 2 32 32 ALA H H 1 8.917 . . 1 . . . . 32 ALA HN . 7354 1 489 . 3 2 32 32 ALA HA H 1 4.147 . . 1 . . . . 32 ALA HA . 7354 1 490 . 3 2 32 32 ALA HB1 H 1 1.569 . . 1 . . . . 32 ALA HB1 . 7354 1 491 . 3 2 32 32 ALA HB2 H 1 1.569 . . 1 . . . . 32 ALA HB1 . 7354 1 492 . 3 2 32 32 ALA HB3 H 1 1.569 . . 1 . . . . 32 ALA HB1 . 7354 1 493 . 3 2 32 32 ALA C C 13 180.409 . . 1 . . . . 32 ALA C . 7354 1 494 . 3 2 32 32 ALA CA C 13 55.999 . . 1 . . . . 32 ALA CA . 7354 1 495 . 3 2 32 32 ALA CB C 13 18.028 . . 1 . . . . 32 ALA CB . 7354 1 496 . 3 2 32 32 ALA N N 15 126.016 . . 1 . . . . 32 ALA N . 7354 1 497 . 3 2 33 33 LYS H H 1 8.403 . . 1 . . . . 33 LYS HN . 7354 1 498 . 3 2 33 33 LYS HA H 1 4.171 . . 1 . . . . 33 LYS HA . 7354 1 499 . 3 2 33 33 LYS HB2 H 1 1.845 . . 2 . . . . 33 LYS HB1 . 7354 1 500 . 3 2 33 33 LYS HB3 H 1 1.934 . . 2 . . . . 33 LYS HB2 . 7354 1 501 . 3 2 33 33 LYS HD2 H 1 1.746 . . 2 . . . . 33 LYS HD1 . 7354 1 502 . 3 2 33 33 LYS HD3 H 1 1.746 . . 2 . . . . 33 LYS HD2 . 7354 1 503 . 3 2 33 33 LYS HE2 H 1 3.039 . . 2 . . . . 33 LYS HE1 . 7354 1 504 . 3 2 33 33 LYS HE3 H 1 3.039 . . 2 . . . . 33 LYS HE2 . 7354 1 505 . 3 2 33 33 LYS HG2 H 1 1.591 . . 2 . . . . 33 LYS HG1 . 7354 1 506 . 3 2 33 33 LYS HG3 H 1 1.504 . . 2 . . . . 33 LYS HG2 . 7354 1 507 . 3 2 33 33 LYS C C 13 179.160 . . 1 . . . . 33 LYS C . 7354 1 508 . 3 2 33 33 LYS CA C 13 58.933 . . 1 . . . . 33 LYS CA . 7354 1 509 . 3 2 33 33 LYS CB C 13 31.850 . . 1 . . . . 33 LYS CB . 7354 1 510 . 3 2 33 33 LYS CD C 13 26.333 . . 1 . . . . 33 LYS CD . 7354 1 511 . 3 2 33 33 LYS CE C 13 39.352 . . 1 . . . . 33 LYS CE . 7354 1 512 . 3 2 33 33 LYS CG C 13 22.110 . . 1 . . . . 33 LYS CG . 7354 1 513 . 3 2 33 33 LYS N N 15 116.329 . . 1 . . . . 33 LYS N . 7354 1 514 . 3 2 34 34 THR H H 1 7.571 . . 1 . . . . 34 THR HN . 7354 1 515 . 3 2 34 34 THR HA H 1 4.330 . . 1 . . . . 34 THR HA . 7354 1 516 . 3 2 34 34 THR HB H 1 3.816 . . 1 . . . . 34 THR HB . 7354 1 517 . 3 2 34 34 THR HG21 H 1 1.125 . . 1 . . . . 34 THR HG21 . 7354 1 518 . 3 2 34 34 THR HG22 H 1 1.125 . . 1 . . . . 34 THR HG21 . 7354 1 519 . 3 2 34 34 THR HG23 H 1 1.125 . . 1 . . . . 34 THR HG21 . 7354 1 520 . 3 2 34 34 THR C C 13 175.334 . . 1 . . . . 34 THR C . 7354 1 521 . 3 2 34 34 THR CA C 13 67.213 . . 1 . . . . 34 THR CA . 7354 1 522 . 3 2 34 34 THR CB C 13 66.018 . . 1 . . . . 34 THR CB . 7354 1 523 . 3 2 34 34 THR CG2 C 13 21.982 . . 1 . . . . 34 THR CG2 . 7354 1 524 . 3 2 34 34 THR N N 15 120.143 . . 1 . . . . 34 THR N . 7354 1 525 . 3 2 35 35 ARG H H 1 8.914 . . 1 . . . . 35 ARG HN . 7354 1 526 . 3 2 35 35 ARG HA H 1 3.752 . . 1 . . . . 35 ARG HA . 7354 1 527 . 3 2 35 35 ARG HB2 H 1 1.951 . . 2 . . . . 35 ARG HB1 . 7354 1 528 . 3 2 35 35 ARG HB3 H 1 1.870 . . 2 . . . . 35 ARG HB2 . 7354 1 529 . 3 2 35 35 ARG HD2 H 1 3.226 . . 2 . . . . 35 ARG HD1 . 7354 1 530 . 3 2 35 35 ARG HD3 H 1 3.375 . . 2 . . . . 35 ARG HD2 . 7354 1 531 . 3 2 35 35 ARG HE H 1 7.582 . . 1 . . . . 35 ARG HE . 7354 1 532 . 3 2 35 35 ARG HG2 H 1 1.640 . . 2 . . . . 35 ARG HG1 . 7354 1 533 . 3 2 35 35 ARG HG3 H 1 1.584 . . 2 . . . . 35 ARG HG2 . 7354 1 534 . 3 2 35 35 ARG HH11 H 1 7.559 . . 1 . . . . 35 ARG HH11 . 7354 1 535 . 3 2 35 35 ARG HH12 H 1 7.559 . . 1 . . . . 35 ARG HH12 . 7354 1 536 . 3 2 35 35 ARG C C 13 177.935 . . 1 . . . . 35 ARG C . 7354 1 537 . 3 2 35 35 ARG CA C 13 60.690 . . 1 . . . . 35 ARG CA . 7354 1 538 . 3 2 35 35 ARG CB C 13 29.705 . . 1 . . . . 35 ARG CB . 7354 1 539 . 3 2 35 35 ARG CD C 13 40.690 . . 1 . . . . 35 ARG CD . 7354 1 540 . 3 2 35 35 ARG CG C 13 25.259 . . 1 . . . . 35 ARG CG . 7354 1 541 . 3 2 35 35 ARG N N 15 123.006 . . 1 . . . . 35 ARG N . 7354 1 542 . 3 2 35 35 ARG NE N 15 83.702 . . 1 . . . . 35 ARG NE . 7354 1 543 . 3 2 35 35 ARG NH1 N 15 113.702 . . 2 . . . . 35 ARG NH1 . 7354 1 544 . 3 2 36 36 GLU H H 1 8.087 . . 1 . . . . 36 GLU HN . 7354 1 545 . 3 2 36 36 GLU HA H 1 4.139 . . 1 . . . . 36 GLU HA . 7354 1 546 . 3 2 36 36 GLU HB2 H 1 2.181 . . 2 . . . . 36 GLU HB1 . 7354 1 547 . 3 2 36 36 GLU HB3 H 1 2.181 . . 2 . . . . 36 GLU HB2 . 7354 1 548 . 3 2 36 36 GLU HG2 H 1 2.532 . . 2 . . . . 36 GLU HG1 . 7354 1 549 . 3 2 36 36 GLU HG3 H 1 2.339 . . 2 . . . . 36 GLU HG2 . 7354 1 550 . 3 2 36 36 GLU C C 13 179.314 . . 1 . . . . 36 GLU C . 7354 1 551 . 3 2 36 36 GLU CA C 13 59.572 . . 1 . . . . 36 GLU CA . 7354 1 552 . 3 2 36 36 GLU CB C 13 29.661 . . 1 . . . . 36 GLU CB . 7354 1 553 . 3 2 36 36 GLU CG C 13 33.620 . . 1 . . . . 36 GLU CG . 7354 1 554 . 3 2 36 36 GLU N N 15 117.095 . . 1 . . . . 36 GLU N . 7354 1 555 . 3 2 37 37 LYS H H 1 7.618 . . 1 . . . . 37 LYS HN . 7354 1 556 . 3 2 37 37 LYS HA H 1 4.278 . . 1 . . . . 37 LYS HA . 7354 1 557 . 3 2 37 37 LYS HB2 H 1 2.125 . . 2 . . . . 37 LYS HB1 . 7354 1 558 . 3 2 37 37 LYS HB3 H 1 2.043 . . 2 . . . . 37 LYS HB2 . 7354 1 559 . 3 2 37 37 LYS HD2 H 1 1.845 . . 2 . . . . 37 LYS HD1 . 7354 1 560 . 3 2 37 37 LYS HD3 H 1 1.845 . . 2 . . . . 37 LYS HD2 . 7354 1 561 . 3 2 37 37 LYS HE2 H 1 2.979 . . 2 . . . . 37 LYS HE1 . 7354 1 562 . 3 2 37 37 LYS HE3 H 1 3.045 . . 2 . . . . 37 LYS HE2 . 7354 1 563 . 3 2 37 37 LYS HG2 H 1 1.670 . . 2 . . . . 37 LYS HG1 . 7354 1 564 . 3 2 37 37 LYS HG3 H 1 1.670 . . 2 . . . . 37 LYS HG2 . 7354 1 565 . 3 2 37 37 LYS C C 13 179.616 . . 1 . . . . 37 LYS C . 7354 1 566 . 3 2 37 37 LYS CA C 13 59.438 . . 1 . . . . 37 LYS CA . 7354 1 567 . 3 2 37 37 LYS CB C 13 32.610 . . 1 . . . . 37 LYS CB . 7354 1 568 . 3 2 37 37 LYS CD C 13 26.898 . . 1 . . . . 37 LYS CD . 7354 1 569 . 3 2 37 37 LYS CE C 13 39.352 . . 1 . . . . 37 LYS CE . 7354 1 570 . 3 2 37 37 LYS CG C 13 22.426 . . 1 . . . . 37 LYS CG . 7354 1 571 . 3 2 37 37 LYS N N 15 119.341 . . 1 . . . . 37 LYS N . 7354 1 572 . 3 2 38 38 VAL H H 1 8.225 . . 1 . . . . 38 VAL HN . 7354 1 573 . 3 2 38 38 VAL HA H 1 3.531 . . 1 . . . . 38 VAL HA . 7354 1 574 . 3 2 38 38 VAL HB H 1 2.244 . . 1 . . . . 38 VAL HB . 7354 1 575 . 3 2 38 38 VAL HG11 H 1 0.971 . . 2 . . . . 38 VAL HG11 . 7354 1 576 . 3 2 38 38 VAL HG12 H 1 0.971 . . 2 . . . . 38 VAL HG11 . 7354 1 577 . 3 2 38 38 VAL HG13 H 1 0.971 . . 2 . . . . 38 VAL HG11 . 7354 1 578 . 3 2 38 38 VAL HG21 H 1 0.966 . . 2 . . . . 38 VAL HG21 . 7354 1 579 . 3 2 38 38 VAL HG22 H 1 0.966 . . 2 . . . . 38 VAL HG21 . 7354 1 580 . 3 2 38 38 VAL HG23 H 1 0.966 . . 2 . . . . 38 VAL HG21 . 7354 1 581 . 3 2 38 38 VAL C C 13 177.710 . . 1 . . . . 38 VAL C . 7354 1 582 . 3 2 38 38 VAL CA C 13 66.889 . . 1 . . . . 38 VAL CA . 7354 1 583 . 3 2 38 38 VAL CB C 13 31.609 . . 1 . . . . 38 VAL CB . 7354 1 584 . 3 2 38 38 VAL CG1 C 13 21.951 . . 1 . . . . 38 VAL CG1 . 7354 1 585 . 3 2 38 38 VAL CG2 C 13 20.857 . . 1 . . . . 38 VAL CG2 . 7354 1 586 . 3 2 38 38 VAL N N 15 120.264 . . 1 . . . . 38 VAL N . 7354 1 587 . 3 2 39 39 GLU H H 1 9.053 . . 1 . . . . 39 GLU HN . 7354 1 588 . 3 2 39 39 GLU HA H 1 4.125 . . 1 . . . . 39 GLU HA . 7354 1 589 . 3 2 39 39 GLU HB2 H 1 2.058 . . 2 . . . . 39 GLU HB1 . 7354 1 590 . 3 2 39 39 GLU HB3 H 1 2.206 . . 2 . . . . 39 GLU HB2 . 7354 1 591 . 3 2 39 39 GLU HG2 H 1 2.587 . . 2 . . . . 39 GLU HG1 . 7354 1 592 . 3 2 39 39 GLU HG3 H 1 2.181 . . 2 . . . . 39 GLU HG2 . 7354 1 593 . 3 2 39 39 GLU C C 13 179.999 . . 1 . . . . 39 GLU C . 7354 1 594 . 3 2 39 39 GLU CA C 13 60.442 . . 1 . . . . 39 GLU CA . 7354 1 595 . 3 2 39 39 GLU CB C 13 29.041 . . 1 . . . . 39 GLU CB . 7354 1 596 . 3 2 39 39 GLU CG C 13 34.500 . . 1 . . . . 39 GLU CG . 7354 1 597 . 3 2 39 39 GLU N N 15 120.724 . . 1 . . . . 39 GLU N . 7354 1 598 . 3 2 40 40 ALA H H 1 8.079 . . 1 . . . . 40 ALA HN . 7354 1 599 . 3 2 40 40 ALA HA H 1 4.303 . . 1 . . . . 40 ALA HA . 7354 1 600 . 3 2 40 40 ALA HB1 H 1 1.640 . . 1 . . . . 40 ALA HB1 . 7354 1 601 . 3 2 40 40 ALA HB2 H 1 1.640 . . 1 . . . . 40 ALA HB1 . 7354 1 602 . 3 2 40 40 ALA HB3 H 1 1.640 . . 1 . . . . 40 ALA HB1 . 7354 1 603 . 3 2 40 40 ALA C C 13 179.929 . . 1 . . . . 40 ALA C . 7354 1 604 . 3 2 40 40 ALA CA C 13 55.261 . . 1 . . . . 40 ALA CA . 7354 1 605 . 3 2 40 40 ALA CB C 13 17.847 . . 1 . . . . 40 ALA CB . 7354 1 606 . 3 2 40 40 ALA N N 15 121.977 . . 1 . . . . 40 ALA N . 7354 1 607 . 3 2 41 41 ALA H H 1 7.625 . . 1 . . . . 41 ALA HN . 7354 1 608 . 3 2 41 41 ALA HA H 1 4.024 . . 1 . . . . 41 ALA HA . 7354 1 609 . 3 2 41 41 ALA HB1 H 1 1.670 . . 1 . . . . 41 ALA HB1 . 7354 1 610 . 3 2 41 41 ALA HB2 H 1 1.670 . . 1 . . . . 41 ALA HB1 . 7354 1 611 . 3 2 41 41 ALA HB3 H 1 1.670 . . 1 . . . . 41 ALA HB1 . 7354 1 612 . 3 2 41 41 ALA C C 13 179.018 . . 1 . . . . 41 ALA C . 7354 1 613 . 3 2 41 41 ALA CA C 13 55.123 . . 1 . . . . 41 ALA CA . 7354 1 614 . 3 2 41 41 ALA CB C 13 20.281 . . 1 . . . . 41 ALA CB . 7354 1 615 . 3 2 41 41 ALA N N 15 121.279 . . 1 . . . . 41 ALA N . 7354 1 616 . 3 2 42 42 MET H H 1 8.606 . . 1 . . . . 42 MET HN . 7354 1 617 . 3 2 42 42 MET HA H 1 3.764 . . 1 . . . . 42 MET HA . 7354 1 618 . 3 2 42 42 MET HB2 H 1 2.430 . . 2 . . . . 42 MET HB1 . 7354 1 619 . 3 2 42 42 MET HB3 H 1 2.310 . . 2 . . . . 42 MET HB2 . 7354 1 620 . 3 2 42 42 MET HG2 H 1 2.950 . . 2 . . . . 42 MET HG1 . 7354 1 621 . 3 2 42 42 MET HG3 H 1 2.950 . . 2 . . . . 42 MET HG2 . 7354 1 622 . 3 2 42 42 MET C C 13 177.986 . . 1 . . . . 42 MET C . 7354 1 623 . 3 2 42 42 MET CA C 13 60.622 . . 1 . . . . 42 MET CA . 7354 1 624 . 3 2 42 42 MET CB C 13 33.613 . . 1 . . . . 42 MET CB . 7354 1 625 . 3 2 42 42 MET CG C 13 29.582 . . 1 . . . . 42 MET CG . 7354 1 626 . 3 2 42 42 MET N N 15 115.551 . . 1 . . . . 42 MET N . 7354 1 627 . 3 2 43 43 ALA H H 1 7.706 . . 1 . . . . 43 ALA HN . 7354 1 628 . 3 2 43 43 ALA HA H 1 4.317 . . 1 . . . . 43 ALA HA . 7354 1 629 . 3 2 43 43 ALA HB1 H 1 1.586 . . 1 . . . . 43 ALA HB1 . 7354 1 630 . 3 2 43 43 ALA HB2 H 1 1.586 . . 1 . . . . 43 ALA HB1 . 7354 1 631 . 3 2 43 43 ALA HB3 H 1 1.586 . . 1 . . . . 43 ALA HB1 . 7354 1 632 . 3 2 43 43 ALA C C 13 180.651 . . 1 . . . . 43 ALA C . 7354 1 633 . 3 2 43 43 ALA CA C 13 54.632 . . 1 . . . . 43 ALA CA . 7354 1 634 . 3 2 43 43 ALA CB C 13 18.175 . . 1 . . . . 43 ALA CB . 7354 1 635 . 3 2 43 43 ALA N N 15 120.209 . . 1 . . . . 43 ALA N . 7354 1 636 . 3 2 44 44 GLU H H 1 8.178 . . 1 . . . . 44 GLU HN . 7354 1 637 . 3 2 44 44 GLU HA H 1 4.030 . . 1 . . . . 44 GLU HA . 7354 1 638 . 3 2 44 44 GLU HB2 H 1 2.142 . . 2 . . . . 44 GLU HB1 . 7354 1 639 . 3 2 44 44 GLU HB3 H 1 1.947 . . 2 . . . . 44 GLU HB2 . 7354 1 640 . 3 2 44 44 GLU HG2 H 1 2.409 . . 2 . . . . 44 GLU HG1 . 7354 1 641 . 3 2 44 44 GLU C C 13 178.325 . . 1 . . . . 44 GLU C . 7354 1 642 . 3 2 44 44 GLU CA C 13 59.029 . . 1 . . . . 44 GLU CA . 7354 1 643 . 3 2 44 44 GLU CB C 13 29.368 . . 1 . . . . 44 GLU CB . 7354 1 644 . 3 2 44 44 GLU CG C 13 32.800 . . 1 . . . . 44 GLU CG . 7354 1 645 . 3 2 44 44 GLU N N 15 119.461 . . 1 . . . . 44 GLU N . 7354 1 646 . 3 2 45 45 LEU H H 1 7.663 . . 1 . . . . 45 LEU HN . 7354 1 647 . 3 2 45 45 LEU HA H 1 4.203 . . 1 . . . . 45 LEU HA . 7354 1 648 . 3 2 45 45 LEU HB2 H 1 1.634 . . 2 . . . . 45 LEU HB1 . 7354 1 649 . 3 2 45 45 LEU HB3 H 1 1.487 . . 2 . . . . 45 LEU HB2 . 7354 1 650 . 3 2 45 45 LEU HD11 H 1 0.458 . . 2 . . . . 45 LEU HD11 . 7354 1 651 . 3 2 45 45 LEU HD12 H 1 0.458 . . 2 . . . . 45 LEU HD11 . 7354 1 652 . 3 2 45 45 LEU HD13 H 1 0.458 . . 2 . . . . 45 LEU HD11 . 7354 1 653 . 3 2 45 45 LEU HD21 H 1 0.585 . . 2 . . . . 45 LEU HD21 . 7354 1 654 . 3 2 45 45 LEU HD22 H 1 0.585 . . 2 . . . . 45 LEU HD21 . 7354 1 655 . 3 2 45 45 LEU HD23 H 1 0.585 . . 2 . . . . 45 LEU HD21 . 7354 1 656 . 3 2 45 45 LEU HG H 1 1.390 . . 1 . . . . 45 LEU HG . 7354 1 657 . 3 2 45 45 LEU C C 13 176.042 . . 1 . . . . 45 LEU C . 7354 1 658 . 3 2 45 45 LEU CA C 13 54.472 . . 1 . . . . 45 LEU CA . 7354 1 659 . 3 2 45 45 LEU CB C 13 42.243 . . 1 . . . . 45 LEU CB . 7354 1 660 . 3 2 45 45 LEU CD1 C 13 23.121 . . 1 . . . . 45 LEU CD1 . 7354 1 661 . 3 2 45 45 LEU CD2 C 13 19.260 . . 1 . . . . 45 LEU CD2 . 7354 1 662 . 3 2 45 45 LEU CG C 13 24.551 . . 1 . . . . 45 LEU CG . 7354 1 663 . 3 2 45 45 LEU N N 15 114.621 . . 1 . . . . 45 LEU N . 7354 1 664 . 3 2 46 46 ASN H H 1 7.678 . . 1 . . . . 46 ASN HN . 7354 1 665 . 3 2 46 46 ASN HA H 1 4.305 . . 1 . . . . 46 ASN HA . 7354 1 666 . 3 2 46 46 ASN HB2 H 1 2.680 . . 2 . . . . 46 ASN HB1 . 7354 1 667 . 3 2 46 46 ASN HB3 H 1 3.177 . . 2 . . . . 46 ASN HB2 . 7354 1 668 . 3 2 46 46 ASN HD21 H 1 6.701 . . 2 . . . . 46 ASN HD21 . 7354 1 669 . 3 2 46 46 ASN HD22 H 1 7.392 . . 2 . . . . 46 ASN HD22 . 7354 1 670 . 3 2 46 46 ASN C C 13 174.023 . . 1 . . . . 46 ASN C . 7354 1 671 . 3 2 46 46 ASN CA C 13 53.908 . . 1 . . . . 46 ASN CA . 7354 1 672 . 3 2 46 46 ASN CB C 13 37.180 . . 1 . . . . 46 ASN CB . 7354 1 673 . 3 2 46 46 ASN N N 15 116.977 . . 1 . . . . 46 ASN N . 7354 1 674 . 3 2 46 46 ASN ND2 N 15 111.038 . . 1 . . . . 46 ASN ND2 . 7354 1 675 . 3 2 47 47 TYR H H 1 7.960 . . 1 . . . . 47 TYR HN . 7354 1 676 . 3 2 47 47 TYR HA H 1 4.170 . . 1 . . . . 47 TYR HA . 7354 1 677 . 3 2 47 47 TYR HB2 H 1 2.451 . . 2 . . . . 47 TYR HB1 . 7354 1 678 . 3 2 47 47 TYR HB3 H 1 2.638 . . 2 . . . . 47 TYR HB2 . 7354 1 679 . 3 2 47 47 TYR HD1 H 1 6.763 . . 3 . . . . 47 TYR HD1 . 7354 1 680 . 3 2 47 47 TYR HE1 H 1 6.725 . . 3 . . . . 47 TYR HE1 . 7354 1 681 . 3 2 47 47 TYR HH H 1 9.488 . . 1 . . . . 47 TYR HH . 7354 1 682 . 3 2 47 47 TYR C C 13 174.246 . . 1 . . . . 47 TYR C . 7354 1 683 . 3 2 47 47 TYR CA C 13 58.734 . . 1 . . . . 47 TYR CA . 7354 1 684 . 3 2 47 47 TYR CB C 13 39.314 . . 1 . . . . 47 TYR CB . 7354 1 685 . 3 2 47 47 TYR CD1 C 13 129.853 . . 3 . . . . 47 TYR CD1 . 7354 1 686 . 3 2 47 47 TYR CE1 C 13 114.931 . . 3 . . . . 47 TYR CE1 . 7354 1 687 . 3 2 47 47 TYR N N 15 116.277 . . 1 . . . . 47 TYR N . 7354 1 688 . 3 2 48 48 ILE H H 1 7.470 . . 1 . . . . 48 ILE HN . 7354 1 689 . 3 2 48 48 ILE HA H 1 4.024 . . 1 . . . . 48 ILE HA . 7354 1 690 . 3 2 48 48 ILE HB H 1 1.570 . . 1 . . . . 48 ILE HB . 7354 1 691 . 3 2 48 48 ILE HD11 H 1 0.798 . . 1 . . . . 48 ILE HD11 . 7354 1 692 . 3 2 48 48 ILE HD12 H 1 0.798 . . 1 . . . . 48 ILE HD11 . 7354 1 693 . 3 2 48 48 ILE HD13 H 1 0.798 . . 1 . . . . 48 ILE HD11 . 7354 1 694 . 3 2 48 48 ILE HG12 H 1 1.397 . . 1 . . . . 48 ILE HG11 . 7354 1 695 . 3 2 48 48 ILE HG13 H 1 0.953 . . 1 . . . . 48 ILE HG12 . 7354 1 696 . 3 2 48 48 ILE HG21 H 1 0.789 . . 2 . . . . 48 ILE HG21 . 7354 1 697 . 3 2 48 48 ILE HG22 H 1 0.789 . . 2 . . . . 48 ILE HG21 . 7354 1 698 . 3 2 48 48 ILE HG23 H 1 0.789 . . 2 . . . . 48 ILE HG21 . 7354 1 699 . 3 2 48 48 ILE CA C 13 57.796 . . 1 . . . . 48 ILE CA . 7354 1 700 . 3 2 48 48 ILE CB C 13 41.093 . . 1 . . . . 48 ILE CB . 7354 1 701 . 3 2 48 48 ILE CD1 C 13 10.177 . . 1 . . . . 48 ILE CD1 . 7354 1 702 . 3 2 48 48 ILE CG1 C 13 24.322 . . 2 . . . . 48 ILE CG1 . 7354 1 703 . 3 2 48 48 ILE CG2 C 13 13.845 . . 1 . . . . 48 ILE CG2 . 7354 1 704 . 3 2 48 48 ILE N N 15 130.373 . . 1 . . . . 48 ILE N . 7354 1 705 . 3 2 49 49 PRO HA H 1 4.150 . . 1 . . . . 49 PRO HA . 7354 1 706 . 3 2 49 49 PRO HB2 H 1 1.496 . . 2 . . . . 49 PRO HB1 . 7354 1 707 . 3 2 49 49 PRO HB3 H 1 2.154 . . 2 . . . . 49 PRO HB2 . 7354 1 708 . 3 2 49 49 PRO HD2 H 1 3.040 . . 2 . . . . 49 PRO HD1 . 7354 1 709 . 3 2 49 49 PRO HD3 H 1 3.410 . . 2 . . . . 49 PRO HD2 . 7354 1 710 . 3 2 49 49 PRO HG2 H 1 1.799 . . 2 . . . . 49 PRO HG1 . 7354 1 711 . 3 2 49 49 PRO HG3 H 1 1.891 . . 2 . . . . 49 PRO HG2 . 7354 1 712 . 3 2 49 49 PRO C C 13 176.095 . . 1 . . . . 49 PRO C . 7354 1 713 . 3 2 49 49 PRO CA C 13 62.553 . . 1 . . . . 49 PRO CA . 7354 1 714 . 3 2 49 49 PRO CB C 13 32.067 . . 1 . . . . 49 PRO CB . 7354 1 715 . 3 2 49 49 PRO CD C 13 48.144 . . 1 . . . . 49 PRO CD . 7354 1 716 . 3 2 49 49 PRO CG C 13 24.389 . . 1 . . . . 49 PRO CG . 7354 1 717 . 3 2 50 50 ASN H H 1 9.072 . . 1 . . . . 50 ASN HN . 7354 1 718 . 3 2 50 50 ASN HA H 1 4.477 . . 1 . . . . 50 ASN HA . 7354 1 719 . 3 2 50 50 ASN HB2 H 1 2.728 . . 2 . . . . 50 ASN HB1 . 7354 1 720 . 3 2 50 50 ASN HB3 H 1 3.099 . . 2 . . . . 50 ASN HB2 . 7354 1 721 . 3 2 50 50 ASN HD21 H 1 6.875 . . 2 . . . . 50 ASN HD21 . 7354 1 722 . 3 2 50 50 ASN HD22 H 1 8.043 . . 2 . . . . 50 ASN HD22 . 7354 1 723 . 3 2 50 50 ASN C C 13 175.686 . . 1 . . . . 50 ASN C . 7354 1 724 . 3 2 50 50 ASN CA C 13 53.533 . . 1 . . . . 50 ASN CA . 7354 1 725 . 3 2 50 50 ASN CB C 13 38.831 . . 1 . . . . 50 ASN CB . 7354 1 726 . 3 2 50 50 ASN N N 15 123.223 . . 1 . . . . 50 ASN N . 7354 1 727 . 3 2 50 50 ASN ND2 N 15 113.338 . . 1 . . . . 50 ASN ND2 . 7354 1 728 . 3 2 51 51 ARG H H 1 8.360 . . 1 . . . . 51 ARG HN . 7354 1 729 . 3 2 51 51 ARG HA H 1 4.352 . . 1 . . . . 51 ARG HA . 7354 1 730 . 3 2 51 51 ARG HB2 H 1 1.895 . . 2 . . . . 51 ARG HB1 . 7354 1 731 . 3 2 51 51 ARG HB3 H 1 1.895 . . 2 . . . . 51 ARG HB2 . 7354 1 732 . 3 2 51 51 ARG HD2 H 1 3.224 . . 2 . . . . 51 ARG HD1 . 7354 1 733 . 3 2 51 51 ARG HD3 H 1 3.224 . . 2 . . . . 51 ARG HD2 . 7354 1 734 . 3 2 51 51 ARG HE H 1 7.138 . . 1 . . . . 51 ARG HE . 7354 1 735 . 3 2 51 51 ARG HG2 H 1 1.755 . . 2 . . . . 51 ARG HG1 . 7354 1 736 . 3 2 51 51 ARG HG3 H 1 1.755 . . 2 . . . . 51 ARG HG2 . 7354 1 737 . 3 2 51 51 ARG C C 13 179.546 . . 1 . . . . 51 ARG C . 7354 1 738 . 3 2 51 51 ARG CA C 13 58.585 . . 1 . . . . 51 ARG CA . 7354 1 739 . 3 2 51 51 ARG CB C 13 29.743 . . 1 . . . . 51 ARG CB . 7354 1 740 . 3 2 51 51 ARG CD C 13 40.179 . . 1 . . . . 51 ARG CD . 7354 1 741 . 3 2 51 51 ARG CG C 13 24.161 . . 1 . . . . 51 ARG CG . 7354 1 742 . 3 2 51 51 ARG N N 15 128.051 . . 1 . . . . 51 ARG N . 7354 1 743 . 3 2 51 51 ARG NE N 15 84.679 . . 1 . . . . 51 ARG NE . 7354 1 744 . 3 2 52 52 CYS H H 1 8.253 . . 1 . . . . 52 CYS HN . 7354 1 745 . 3 2 52 52 CYS HA H 1 4.784 . . 1 . . . . 52 CYS HA . 7354 1 746 . 3 2 52 52 CYS HB2 H 1 3.046 . . 2 . . . . 52 CYS HB1 . 7354 1 747 . 3 2 52 52 CYS HB3 H 1 2.729 . . 2 . . . . 52 CYS HB2 . 7354 1 748 . 3 2 52 52 CYS C C 13 176.652 . . 1 . . . . 52 CYS C . 7354 1 749 . 3 2 52 52 CYS CA C 13 54.973 . . 1 . . . . 52 CYS CA . 7354 1 750 . 3 2 52 52 CYS CB C 13 31.524 . . 1 . . . . 52 CYS CB . 7354 1 751 . 3 2 52 52 CYS N N 15 117.282 . . 1 . . . . 52 CYS N . 7354 1 752 . 3 2 53 53 ALA H H 1 7.967 . . 1 . . . . 53 ALA HN . 7354 1 753 . 3 2 53 53 ALA HA H 1 3.940 . . 1 . . . . 53 ALA HA . 7354 1 754 . 3 2 53 53 ALA HB1 H 1 1.843 . . 1 . . . . 53 ALA HB1 . 7354 1 755 . 3 2 53 53 ALA HB2 H 1 1.843 . . 1 . . . . 53 ALA HB1 . 7354 1 756 . 3 2 53 53 ALA HB3 H 1 1.843 . . 1 . . . . 53 ALA HB1 . 7354 1 757 . 3 2 53 53 ALA C C 13 180.369 . . 1 . . . . 53 ALA C . 7354 1 758 . 3 2 53 53 ALA CA C 13 55.466 . . 1 . . . . 53 ALA CA . 7354 1 759 . 3 2 53 53 ALA CB C 13 18.774 . . 1 . . . . 53 ALA CB . 7354 1 760 . 3 2 53 53 ALA N N 15 124.372 . . 1 . . . . 53 ALA N . 7354 1 761 . 3 2 54 54 GLN H H 1 7.663 . . 1 . . . . 54 GLN HN . 7354 1 762 . 3 2 54 54 GLN HA H 1 4.020 . . 1 . . . . 54 GLN HA . 7354 1 763 . 3 2 54 54 GLN HB2 H 1 2.397 . . 2 . . . . 54 GLN HB1 . 7354 1 764 . 3 2 54 54 GLN HB3 H 1 1.909 . . 2 . . . . 54 GLN HB2 . 7354 1 765 . 3 2 54 54 GLN HE21 H 1 6.590 . . 2 . . . . 54 GLN HE21 . 7354 1 766 . 3 2 54 54 GLN HE22 H 1 8.358 . . 2 . . . . 54 GLN HE22 . 7354 1 767 . 3 2 54 54 GLN HG2 H 1 2.502 . . 2 . . . . 54 GLN HG1 . 7354 1 768 . 3 2 54 54 GLN HG3 H 1 2.684 . . 2 . . . . 54 GLN HG2 . 7354 1 769 . 3 2 54 54 GLN C C 13 178.264 . . 1 . . . . 54 GLN C . 7354 1 770 . 3 2 54 54 GLN CA C 13 59.609 . . 1 . . . . 54 GLN CA . 7354 1 771 . 3 2 54 54 GLN CB C 13 30.415 . . 1 . . . . 54 GLN CB . 7354 1 772 . 3 2 54 54 GLN CG C 13 31.305 . . 1 . . . . 54 GLN CG . 7354 1 773 . 3 2 54 54 GLN N N 15 113.913 . . 1 . . . . 54 GLN N . 7354 1 774 . 3 2 54 54 GLN NE2 N 15 113.371 . . 1 . . . . 54 GLN NE2 . 7354 1 775 . 3 2 55 55 GLN H H 1 8.157 . . 1 . . . . 55 GLN HN . 7354 1 776 . 3 2 55 55 GLN HA H 1 3.997 . . 1 . . . . 55 GLN HA . 7354 1 777 . 3 2 55 55 GLN HB2 H 1 2.142 . . 2 . . . . 55 GLN HB1 . 7354 1 778 . 3 2 55 55 GLN HB3 H 1 2.291 . . 2 . . . . 55 GLN HB2 . 7354 1 779 . 3 2 55 55 GLN HE21 H 1 7.320 . . 2 . . . . 55 GLN HE21 . 7354 1 780 . 3 2 55 55 GLN HE22 H 1 6.728 . . 2 . . . . 55 GLN HE22 . 7354 1 781 . 3 2 55 55 GLN HG2 H 1 2.298 . . 2 . . . . 55 GLN HG1 . 7354 1 782 . 3 2 55 55 GLN HG3 H 1 2.502 . . 2 . . . . 55 GLN HG2 . 7354 1 783 . 3 2 55 55 GLN C C 13 179.173 . . 1 . . . . 55 GLN C . 7354 1 784 . 3 2 55 55 GLN CA C 13 58.680 . . 1 . . . . 55 GLN CA . 7354 1 785 . 3 2 55 55 GLN CB C 13 29.359 . . 1 . . . . 55 GLN CB . 7354 1 786 . 3 2 55 55 GLN CG C 13 31.909 . . 1 . . . . 55 GLN CG . 7354 1 787 . 3 2 55 55 GLN N N 15 118.295 . . 1 . . . . 55 GLN N . 7354 1 788 . 3 2 55 55 GLN NE2 N 15 110.403 . . 1 . . . . 55 GLN NE2 . 7354 1 789 . 3 2 56 56 LEU H H 1 8.108 . . 1 . . . . 56 LEU HN . 7354 1 790 . 3 2 56 56 LEU HA H 1 3.905 . . 1 . . . . 56 LEU HA . 7354 1 791 . 3 2 56 56 LEU HB2 H 1 1.167 . . 2 . . . . 56 LEU HB1 . 7354 1 792 . 3 2 56 56 LEU HB3 H 1 1.408 . . 2 . . . . 56 LEU HB2 . 7354 1 793 . 3 2 56 56 LEU HD11 H 1 0.588 . . 2 . . . . 56 LEU HD11 . 7354 1 794 . 3 2 56 56 LEU HD12 H 1 0.588 . . 2 . . . . 56 LEU HD11 . 7354 1 795 . 3 2 56 56 LEU HD13 H 1 0.588 . . 2 . . . . 56 LEU HD11 . 7354 1 796 . 3 2 56 56 LEU HD21 H 1 0.210 . . 2 . . . . 56 LEU HD21 . 7354 1 797 . 3 2 56 56 LEU HD22 H 1 0.210 . . 2 . . . . 56 LEU HD21 . 7354 1 798 . 3 2 56 56 LEU HD23 H 1 0.210 . . 2 . . . . 56 LEU HD21 . 7354 1 799 . 3 2 56 56 LEU HG H 1 1.280 . . 1 . . . . 56 LEU HG . 7354 1 800 . 3 2 56 56 LEU C C 13 177.784 . . 1 . . . . 56 LEU C . 7354 1 801 . 3 2 56 56 LEU CA C 13 57.571 . . 1 . . . . 56 LEU CA . 7354 1 802 . 3 2 56 56 LEU CB C 13 42.541 . . 1 . . . . 56 LEU CB . 7354 1 803 . 3 2 56 56 LEU CD1 C 13 21.414 . . 1 . . . . 56 LEU CD1 . 7354 1 804 . 3 2 56 56 LEU CD2 C 13 21.414 . . 1 . . . . 56 LEU CD2 . 7354 1 805 . 3 2 56 56 LEU CG C 13 24.052 . . 1 . . . . 56 LEU CG . 7354 1 806 . 3 2 56 56 LEU N N 15 120.890 . . 1 . . . . 56 LEU N . 7354 1 807 . 3 2 57 57 ALA H H 1 6.711 . . 1 . . . . 57 ALA HN . 7354 1 808 . 3 2 57 57 ALA HA H 1 4.211 . . 1 . . . . 57 ALA HA . 7354 1 809 . 3 2 57 57 ALA HB1 H 1 1.446 . . 1 . . . . 57 ALA HB1 . 7354 1 810 . 3 2 57 57 ALA HB2 H 1 1.446 . . 1 . . . . 57 ALA HB1 . 7354 1 811 . 3 2 57 57 ALA HB3 H 1 1.446 . . 1 . . . . 57 ALA HB1 . 7354 1 812 . 3 2 57 57 ALA C C 13 178.678 . . 1 . . . . 57 ALA C . 7354 1 813 . 3 2 57 57 ALA CA C 13 53.163 . . 1 . . . . 57 ALA CA . 7354 1 814 . 3 2 57 57 ALA CB C 13 21.095 . . 1 . . . . 57 ALA CB . 7354 1 815 . 3 2 57 57 ALA N N 15 116.920 . . 1 . . . . 57 ALA N . 7354 1 816 . 3 2 58 58 GLY H H 1 7.428 . . 1 . . . . 58 GLY HN . 7354 1 817 . 3 2 58 58 GLY HA2 H 1 4.096 . . 2 . . . . 58 GLY HA1 . 7354 1 818 . 3 2 58 58 GLY HA3 H 1 3.898 . . 2 . . . . 58 GLY HA2 . 7354 1 819 . 3 2 58 58 GLY C C 13 174.407 . . 1 . . . . 58 GLY C . 7354 1 820 . 3 2 58 58 GLY CA C 13 45.507 . . 1 . . . . 58 GLY CA . 7354 1 821 . 3 2 58 58 GLY N N 15 103.456 . . 1 . . . . 58 GLY N . 7354 1 822 . 3 2 59 59 LYS H H 1 8.141 . . 1 . . . . 59 LYS HN . 7354 1 823 . 3 2 59 59 LYS HA H 1 4.359 . . 1 . . . . 59 LYS HA . 7354 1 824 . 3 2 59 59 LYS HB2 H 1 1.840 . . 2 . . . . 59 LYS HB1 . 7354 1 825 . 3 2 59 59 LYS HB3 H 1 1.731 . . 2 . . . . 59 LYS HB2 . 7354 1 826 . 3 2 59 59 LYS HD2 H 1 1.678 . . 2 . . . . 59 LYS HD1 . 7354 1 827 . 3 2 59 59 LYS HD3 H 1 1.678 . . 2 . . . . 59 LYS HD2 . 7354 1 828 . 3 2 59 59 LYS HE2 H 1 2.998 . . 2 . . . . 59 LYS HE1 . 7354 1 829 . 3 2 59 59 LYS HE3 H 1 2.998 . . 2 . . . . 59 LYS HE2 . 7354 1 830 . 3 2 59 59 LYS HG2 H 1 1.403 . . 2 . . . . 59 LYS HG1 . 7354 1 831 . 3 2 59 59 LYS HG3 H 1 1.468 . . 2 . . . . 59 LYS HG2 . 7354 1 832 . 3 2 59 59 LYS C C 13 176.535 . . 1 . . . . 59 LYS C . 7354 1 833 . 3 2 59 59 LYS CA C 13 56.126 . . 1 . . . . 59 LYS CA . 7354 1 834 . 3 2 59 59 LYS CB C 13 32.294 . . 1 . . . . 59 LYS CB . 7354 1 835 . 3 2 59 59 LYS CD C 13 26.215 . . 1 . . . . 59 LYS CD . 7354 1 836 . 3 2 59 59 LYS CE C 13 39.547 . . 1 . . . . 59 LYS CE . 7354 1 837 . 3 2 59 59 LYS CG C 13 22.037 . . 1 . . . . 59 LYS CG . 7354 1 838 . 3 2 59 59 LYS N N 15 120.641 . . 1 . . . . 59 LYS N . 7354 1 839 . 3 2 60 60 GLN H H 1 8.299 . . 1 . . . . 60 GLN HN . 7354 1 840 . 3 2 60 60 GLN HA H 1 4.380 . . 1 . . . . 60 GLN HA . 7354 1 841 . 3 2 60 60 GLN HB2 H 1 1.984 . . 2 . . . . 60 GLN HB1 . 7354 1 842 . 3 2 60 60 GLN HB3 H 1 2.138 . . 2 . . . . 60 GLN HB2 . 7354 1 843 . 3 2 60 60 GLN HE21 H 1 7.533 . . 2 . . . . 60 GLN HE21 . 7354 1 844 . 3 2 60 60 GLN HE22 H 1 6.822 . . 2 . . . . 60 GLN HE22 . 7354 1 845 . 3 2 60 60 GLN HG2 H 1 2.385 . . 2 . . . . 60 GLN HG1 . 7354 1 846 . 3 2 60 60 GLN HG3 H 1 2.385 . . 2 . . . . 60 GLN HG2 . 7354 1 847 . 3 2 60 60 GLN C C 13 175.928 . . 1 . . . . 60 GLN C . 7354 1 848 . 3 2 60 60 GLN CA C 13 55.719 . . 1 . . . . 60 GLN CA . 7354 1 849 . 3 2 60 60 GLN CB C 13 29.582 . . 1 . . . . 60 GLN CB . 7354 1 850 . 3 2 60 60 GLN CG C 13 31.155 . . 1 . . . . 60 GLN CG . 7354 1 851 . 3 2 60 60 GLN N N 15 121.366 . . 1 . . . . 60 GLN N . 7354 1 852 . 3 2 60 60 GLN NE2 N 15 112.310 . . 1 . . . . 60 GLN NE2 . 7354 1 853 . 3 2 61 61 SER H H 1 8.215 . . 1 . . . . 61 SER HN . 7354 1 854 . 3 2 61 61 SER HA H 1 4.484 . . 1 . . . . 61 SER HA . 7354 1 855 . 3 2 61 61 SER HB2 H 1 3.864 . . 2 . . . . 61 SER HB2 . 7354 1 856 . 3 2 61 61 SER C C 13 173.346 . . 1 . . . . 61 SER C . 7354 1 857 . 3 2 61 61 SER CA C 13 58.061 . . 1 . . . . 61 SER CA . 7354 1 858 . 3 2 61 61 SER CB C 13 63.927 . . 1 . . . . 61 SER CB . 7354 1 859 . 3 2 61 61 SER N N 15 117.477 . . 1 . . . . 61 SER N . 7354 1 860 . 3 2 62 62 LEU H H 1 7.763 . . 1 . . . . 62 LEU HN . 7354 1 861 . 3 2 62 62 LEU HA H 1 4.260 . . 1 . . . . 62 LEU HA . 7354 1 862 . 3 2 62 62 LEU HB2 H 1 1.602 . . 2 . . . . 62 LEU HB1 . 7354 1 863 . 3 2 62 62 LEU HB3 H 1 1.602 . . 2 . . . . 62 LEU HB2 . 7354 1 864 . 3 2 62 62 LEU HD11 H 1 0.919 . . 2 . . . . 62 LEU HD11 . 7354 1 865 . 3 2 62 62 LEU HD12 H 1 0.919 . . 2 . . . . 62 LEU HD11 . 7354 1 866 . 3 2 62 62 LEU HD13 H 1 0.919 . . 2 . . . . 62 LEU HD11 . 7354 1 867 . 3 2 62 62 LEU HD21 H 1 0.880 . . 2 . . . . 62 LEU HD21 . 7354 1 868 . 3 2 62 62 LEU HD22 H 1 0.880 . . 2 . . . . 62 LEU HD21 . 7354 1 869 . 3 2 62 62 LEU HD23 H 1 0.880 . . 2 . . . . 62 LEU HD21 . 7354 1 870 . 3 2 62 62 LEU HG H 1 1.602 . . 1 . . . . 62 LEU HG . 7354 1 871 . 3 2 62 62 LEU CA C 13 56.737 . . 1 . . . . 62 LEU CA . 7354 1 872 . 3 2 62 62 LEU CB C 13 43.627 . . 1 . . . . 62 LEU CB . 7354 1 873 . 3 2 62 62 LEU CD1 C 13 22.680 . . 1 . . . . 62 LEU CD1 . 7354 1 874 . 3 2 62 62 LEU CD2 C 13 21.130 . . 1 . . . . 62 LEU CD2 . 7354 1 875 . 3 2 62 62 LEU CG C 13 24.620 . . 1 . . . . 62 LEU CG . 7354 1 876 . 3 2 62 62 LEU N N 15 129.687 . . 1 . . . . 62 LEU N . 7354 1 stop_ save_