data_15083 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15083 _Entry.Title ; NMR Structure of the Sigma-54 RpoN Domain Bound to the-24 Promoter Element ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-19 _Entry.Accession_date 2006-12-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Refined with XPLOR-NIH' _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 M. Doucleff M. . . 15083 2 J. Pelton J. G. . 15083 3 P. Lee P. S. . 15083 4 D. Wemmer D. E. . 15083 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HELIX-TURN-HELIX . 15083 'PROTEIN-DNA COMPLEX' . 15083 'RNA POLYMERASE' . 15083 SIGMA-54 . 15083 'TRANSCRIPTION FACTOR' . 15083 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15083 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 208 15083 '15N chemical shifts' 61 15083 '1H chemical shifts' 663 15083 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 3 . . 2010-07-14 2006-12-19 update BMRB 'update DNA residue label to two-letter code' 15083 2 . . 2009-02-06 2006-12-19 update BMRB 'correct the value of Number_of_monomers for the protein' 15083 1 . . 2007-10-17 2006-12-19 original author 'original release' 15083 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2O8K 'BMRB Entry Tracking System' 15083 PDB 2O9L 'BMRB Entry Tracking System' 15083 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15083 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17481658 _Citation.Full_citation . _Citation.Title 'Structural basis of DNA recognition by the alternative sigma-factor, sigma54' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 369 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1070 _Citation.Page_last 1078 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Doucleff M. . . 15083 1 2 J. Pelton J. G. . 15083 1 3 P. Lee P. S. . 15083 1 4 B. Nixon B. T. . 15083 1 5 D. Wemmer D. E. . 15083 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15083 _Assembly.ID 1 _Assembly.Name 'SIGMA-54 RPON DOMAIN-DNA COMPLEX' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _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 '-24 ELEMENT NON-TEMPLATE STRAND' 1 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND A . yes native no no . . . 15083 1 2 '-24 ELEMENT TEMPLATE STRAND' 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND B . yes native no no . . . 15083 1 3 'C-TERMINAL RPON DOMAIN' 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON C . yes native no no . 'DNA SEQUENCE SPECIFIC RECOGNITION' . 15083 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 . 15083 1 2 1 3 'Intermediate exchange' 15083 1 3 2 3 'Intermediate exchange' 15083 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA BINDING' 15083 1 'TRANSCRIPTION INITIATION' 15083 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND _Entity.Sf_category entity _Entity.Sf_framecode NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND _Entity.Entry_ID 15083 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TTTTGGCACGTTTC _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment '-24 PROMOTER ELEMENT' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4364.794 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SIGMA-54 BINDING SITE NON-TEMPLATE STRAND' 15083 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DT . 15083 1 2 . DT . 15083 1 3 . DT . 15083 1 4 . DT . 15083 1 5 . DG . 15083 1 6 . DG . 15083 1 7 . DC . 15083 1 8 . DA . 15083 1 9 . DC . 15083 1 10 . DG . 15083 1 11 . DT . 15083 1 12 . DT . 15083 1 13 . DT . 15083 1 14 . DC . 15083 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 . DT 1 1 15083 1 . DT 2 2 15083 1 . DT 3 3 15083 1 . DT 4 4 15083 1 . DG 5 5 15083 1 . DG 6 6 15083 1 . DC 7 7 15083 1 . DA 8 8 15083 1 . DC 9 9 15083 1 . DG 10 10 15083 1 . DT 11 11 15083 1 . DT 12 12 15083 1 . DT 13 13 15083 1 . DC 14 14 15083 1 stop_ save_ save_NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND _Entity.Sf_category entity _Entity.Sf_framecode NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND _Entity.Entry_ID 15083 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GAAACGTGCCAAAA _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment '-24 PROMOTER ELEMENT' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4514.872 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SIGMA-54 BINDING SITE TEMPLATE STRAND' 15083 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 . DG . 15083 2 2 . DA . 15083 2 3 . DA . 15083 2 4 . DA . 15083 2 5 . DC . 15083 2 6 . DG . 15083 2 7 . DT . 15083 2 8 . DG . 15083 2 9 . DC . 15083 2 10 . DC . 15083 2 11 . DA . 15083 2 12 . DA . 15083 2 13 . DA . 15083 2 14 . DA . 15083 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 . DG 1 1 15083 2 . DA 2 2 15083 2 . DA 3 3 15083 2 . DA 4 4 15083 2 . DC 5 5 15083 2 . DG 6 6 15083 2 . DT 7 7 15083 2 . DG 8 8 15083 2 . DC 9 9 15083 2 . DC 10 10 15083 2 . DA 11 11 15083 2 . DA 12 12 15083 2 . DA 13 13 15083 2 . DA 14 14 15083 2 stop_ save_ save_RNA_POLYMERASE_SIGMA_FACTOR_RPON _Entity.Sf_category entity _Entity.Sf_framecode RNA_POLYMERASE_SIGMA_FACTOR_RPON _Entity.Entry_ID 15083 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name RNA_POLYMERASE_SIGMA_FACTOR_RPON _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HMLTQGELMKLIKEIVENED KRKPYSDQEIANILKEKGFK VARRTVAKYREMLGIPSSRE RRI ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 3 _Entity.Fragment 'C-TERMINAL RPON DOMAIN' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7490.880 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AHQ . "Solution Structure Of The C-Terminal Rpon Domain Of Sigma- 54 From Aquifex Aeolicus" . . . . . 96.83 76 100.00 100.00 5.31e-34 . . . . 15083 3 2 no PDB 2O8K . "Nmr Structure Of The Sigma-54 Rpon Domain Bound To The-24 Promoter Element" . . . . . 100.00 63 100.00 100.00 4.06e-36 . . . . 15083 3 3 no PDB 2O9L . "Amber Refined Nmr Structure Of The Sigma-54 Rpon Domain Bound To The-24 Promoter Element" . . . . . 100.00 63 100.00 100.00 4.06e-36 . . . . 15083 3 4 no GB AAC06814 . "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" . . . . . 96.83 398 100.00 100.00 3.22e-31 . . . . 15083 3 5 no REF NP_213418 . "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" . . . . . 96.83 398 100.00 100.00 3.22e-31 . . . . 15083 3 6 no REF WP_010880356 . "RNA polymerase sigma-54 factor [Aquifex aeolicus]" . . . . . 96.83 398 100.00 100.00 3.22e-31 . . . . 15083 3 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'BINDS -24 PROMOTER ELEMENT' 15083 3 'TRANSCRIPTION INITIATION' 15083 3 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 . HIS . 15083 3 2 . MET . 15083 3 3 . LEU . 15083 3 4 . THR . 15083 3 5 . GLN . 15083 3 6 . GLY . 15083 3 7 . GLU . 15083 3 8 . LEU . 15083 3 9 . MET . 15083 3 10 . LYS . 15083 3 11 . LEU . 15083 3 12 . ILE . 15083 3 13 . LYS . 15083 3 14 . GLU . 15083 3 15 . ILE . 15083 3 16 . VAL . 15083 3 17 . GLU . 15083 3 18 . ASN . 15083 3 19 . GLU . 15083 3 20 . ASP . 15083 3 21 . LYS . 15083 3 22 . ARG . 15083 3 23 . LYS . 15083 3 24 . PRO . 15083 3 25 . TYR . 15083 3 26 . SER . 15083 3 27 . ASP . 15083 3 28 . GLN . 15083 3 29 . GLU . 15083 3 30 . ILE . 15083 3 31 . ALA . 15083 3 32 . ASN . 15083 3 33 . ILE . 15083 3 34 . LEU . 15083 3 35 . LYS . 15083 3 36 . GLU . 15083 3 37 . LYS . 15083 3 38 . GLY . 15083 3 39 . PHE . 15083 3 40 . LYS . 15083 3 41 . VAL . 15083 3 42 . ALA . 15083 3 43 . ARG . 15083 3 44 . ARG . 15083 3 45 . THR . 15083 3 46 . VAL . 15083 3 47 . ALA . 15083 3 48 . LYS . 15083 3 49 . TYR . 15083 3 50 . ARG . 15083 3 51 . GLU . 15083 3 52 . MET . 15083 3 53 . LEU . 15083 3 54 . GLY . 15083 3 55 . ILE . 15083 3 56 . PRO . 15083 3 57 . SER . 15083 3 58 . SER . 15083 3 59 . ARG . 15083 3 60 . GLU . 15083 3 61 . ARG . 15083 3 62 . ARG . 15083 3 63 . ILE . 15083 3 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 . HIS 1 1 15083 3 . MET 2 2 15083 3 . LEU 3 3 15083 3 . THR 4 4 15083 3 . GLN 5 5 15083 3 . GLY 6 6 15083 3 . GLU 7 7 15083 3 . LEU 8 8 15083 3 . MET 9 9 15083 3 . LYS 10 10 15083 3 . LEU 11 11 15083 3 . ILE 12 12 15083 3 . LYS 13 13 15083 3 . GLU 14 14 15083 3 . ILE 15 15 15083 3 . VAL 16 16 15083 3 . GLU 17 17 15083 3 . ASN 18 18 15083 3 . GLU 19 19 15083 3 . ASP 20 20 15083 3 . LYS 21 21 15083 3 . ARG 22 22 15083 3 . LYS 23 23 15083 3 . PRO 24 24 15083 3 . TYR 25 25 15083 3 . SER 26 26 15083 3 . ASP 27 27 15083 3 . GLN 28 28 15083 3 . GLU 29 29 15083 3 . ILE 30 30 15083 3 . ALA 31 31 15083 3 . ASN 32 32 15083 3 . ILE 33 33 15083 3 . LEU 34 34 15083 3 . LYS 35 35 15083 3 . GLU 36 36 15083 3 . LYS 37 37 15083 3 . GLY 38 38 15083 3 . PHE 39 39 15083 3 . LYS 40 40 15083 3 . VAL 41 41 15083 3 . ALA 42 42 15083 3 . ARG 43 43 15083 3 . ARG 44 44 15083 3 . THR 45 45 15083 3 . VAL 46 46 15083 3 . ALA 47 47 15083 3 . LYS 48 48 15083 3 . TYR 49 49 15083 3 . ARG 50 50 15083 3 . GLU 51 51 15083 3 . MET 52 52 15083 3 . LEU 53 53 15083 3 . GLY 54 54 15083 3 . ILE 55 55 15083 3 . PRO 56 56 15083 3 . SER 57 57 15083 3 . SER 58 58 15083 3 . ARG 59 59 15083 3 . GLU 60 60 15083 3 . ARG 61 61 15083 3 . ARG 62 62 15083 3 . ILE 63 63 15083 3 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 15083 _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 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . . . . 'UPSTREAM NIRB' . . . . 15083 1 2 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . . . . 'UPSTREAM NIRB' . . . . 15083 1 3 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . . . . RPON . . . . 15083 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 15083 _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 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'YALE DNA SYNTHESIS LABORATORY (NEW HAVEN, CT); PURIFIED BY UREA-PAGE' . . 15083 1 2 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'YALE DNA SYNTHESIS LABORATORY (NEW HAVEN, CT); PURIFIED BY UREA-PAGE' . . 15083 1 3 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON . 'recombinant technology' . . . . . . ROSETTA . . . . . . . . . . . . . . . . . . . 'HIS-TAGGED PROTEIN; PURIFIED BY NI-NTA AND IONIC EXCHANGE CHROMATOGRAPHY' . . 15083 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15083 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Sigma-54-DNA (U-15N U-13C) complex; 250 mM NaCl; 10 mM deuterated-HEPES, pH 6.9; 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NIRB SIGMA-54 BINDING SITE NON-TEMPLATE STRAND' 'natural abundance' . . 1 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND . . 1 . . mM 0.2 . . . 15083 1 2 'NIRB SIGMA-54 BINDING SITE TEMPLATE STRAND' 'natural abundance' . . 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND . . 1 . . mM 0.2 . . . 15083 1 3 'RNA POLYMERASE SIGMA FACTOR RPON' '[U-100% 13C; U-100% 15N]' . . 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON . . 1 . . mM 0.2 . . . 15083 1 4 HEPES '[U-99% 2H]' . . . . . . 10 . . mM 0.1 . . . 15083 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15083 1 6 NaCl 'natural abundance' . . . . . . 250 . . mM 0.1 . . . 15083 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15083 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Sigma-54-DNA (U-15N U-13C) complex; 250 mM NaCl; 10 mM HEPES, pH 6.9; 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O; 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NIRB SIGMA-54 BINDING SITE NON-TEMPLATE STRAND' 'natural abundance' . . 1 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND . . 1 . . mM .2 . . . 15083 2 2 'NIRB SIGMA-54 BINDING SITE NON-TEMPLATE STRAND' 'natural abundance' . . 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND . . 1 . . mM .2 . . . 15083 2 3 'RNA POLYMERASE SIGMA FACTOR RPON' '[U-100% 13C; U-100% 15N]' . . 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON . . 1 . . mM .2 . . . 15083 2 4 HEPES 'natural abundance' . . . . . . 10 . . mM .1 . . . 15083 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM .1 . . . 15083 2 6 NaCl 'natural abundance' . . . . . . 250 . . mM .2 . . . 15083 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15083 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Sigma-54-DNA (U-15N) complex; 250 mM NaCl; 10 mM HEPES, pH 6.9; 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O; 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NIRB SIGMA-54 BINDING SITE NON-TEMPLATE STRAND' 'natural abundance' . . 1 $NIRB_SIGMA-54_BINDING_SITE_NON-TEMPLATE_STRAND . . 1 . . mM .2 . . . 15083 3 2 'NIRB SIGMA-54 BINDING SITE TEMPLATE STRAND' 'natural abundance' . . 2 $NIRB_SIGMA-54_BINDING_SITE_TEMPLATE_STRAND . . 1 . . mM .2 . . . 15083 3 3 'RNA POLYMERASE SIGMA FACTOR RPON' 'natural abundance' . . 3 $RNA_POLYMERASE_SIGMA_FACTOR_RPON . . 1 . . mM .2 . . . 15083 3 4 HEPES 'natural abundance' . . . . . . 10 . . mM .1 . . . 15083 3 5 EDTA 'natural abundance' . . . . . . 1 . . mM .1 . . . 15083 3 6 NaCl 'natural abundance' . . . . . . 250 . . mM .1 . . . 15083 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15083 _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' 250 . mM 15083 1 pH 6.9 . pH 15083 1 pressure 1 . atm 15083 1 temperature 303 . K 15083 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15083 _Sample_condition_list.ID 2 _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' 250 . mM 15083 2 pH 6.9 . pH 15083 2 pressure 1 . atm 15083 2 temperature 318 . K 15083 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15083 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15083 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15083 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15083 _Software.ID 2 _Software.Name CNS _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15083 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15083 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15083 _Software.ID 3 _Software.Name CNS _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15083 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15083 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15083 _Software.ID 4 _Software.Name CNS _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15083 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15083 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15083 _Software.ID 5 _Software.Name CNS _Software.Version 2.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15083 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15083 5 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 15083 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15083 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15083 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_800 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 800 _NMR_spectrometer_list.Entry_ID 15083 _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 . 600 . . . 15083 1 2 spectrometer_2 Bruker Avance . 600 . . . 15083 1 3 spectrometer_3 Bruker Avance . 800 . . . 15083 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 15083 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D_C13-seperated[F1], C12-filtered[F2] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15083 1 2 3D_C13-seperated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 3 3D_15N-seperated_NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 4 '2D_C12-filtered[F1,F2] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15083 1 5 '2D_C12-filtered[F1] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15083 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15083 1 12 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15083 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 15083 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 15083 1 H 1 water protons . . . . ppm 4.77 internal direct 1 . . . 1 $citations . . 1 $citations 15083 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 15083 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 15083 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D_C12-filtered[F1,F2] NOESY' . . . 15083 1 6 '3D HNCA' . . . 15083 1 7 '3D CBCA(CO)NH' . . . 15083 1 8 '3D C(CO)NH' . . . 15083 1 9 '3D HBHA(CO)NH' . . . 15083 1 10 '3D HCCH-TOCSY' . . . 15083 1 11 '3D HCCH-TOCSY' . . . 15083 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $NMRView . . 15083 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DT H1' H 1 6.004 0.015 . 1 . . . . 101 T H1' . 15083 1 2 . 1 1 1 1 DT H2' H 1 2.273 0.015 . 2 . . . . 101 T H2' . 15083 1 3 . 1 1 1 1 DT H2'' H 1 2.637 0.015 . 2 . . . . 101 T H2'' . 15083 1 4 . 1 1 1 1 DT H3' H 1 4.752 0.015 . 1 . . . . 101 T H3' . 15083 1 5 . 1 1 1 1 DT H4' H 1 3.801 0.015 . 1 . . . . 101 T H4' . 15083 1 6 . 1 1 1 1 DT H5' H 1 3.851 0.015 . 2 . . . . 101 T H5' . 15083 1 7 . 1 1 1 1 DT H6 H 1 7.607 0.015 . 1 . . . . 101 T H6 . 15083 1 8 . 1 1 1 1 DT H71 H 1 1.729 0.015 . 1 . . . . 101 T H7 . 15083 1 9 . 1 1 1 1 DT H72 H 1 1.729 0.015 . 1 . . . . 101 T H7 . 15083 1 10 . 1 1 1 1 DT H73 H 1 1.729 0.015 . 1 . . . . 101 T H7 . 15083 1 11 . 1 1 2 2 DT H1' H 1 6.302 0.015 . 1 . . . . 102 T H1' . 15083 1 12 . 1 1 2 2 DT H2' H 1 2.431 0.015 . 2 . . . . 102 T H2' . 15083 1 13 . 1 1 2 2 DT H2'' H 1 2.794 0.015 . 2 . . . . 102 T H2'' . 15083 1 14 . 1 1 2 2 DT H3' H 1 4.983 0.015 . 1 . . . . 102 T H3' . 15083 1 15 . 1 1 2 2 DT H4' H 1 4.358 0.015 . 1 . . . . 102 T H4' . 15083 1 16 . 1 1 2 2 DT H5' H 1 4.277 0.015 . 2 . . . . 102 T H5' . 15083 1 17 . 1 1 2 2 DT H5'' H 1 4.318 0.015 . 2 . . . . 102 T H5'' . 15083 1 18 . 1 1 2 2 DT H6 H 1 7.71 0.015 . 1 . . . . 102 T H6 . 15083 1 19 . 1 1 2 2 DT H71 H 1 1.791 0.015 . 1 . . . . 102 T H7 . 15083 1 20 . 1 1 2 2 DT H72 H 1 1.791 0.015 . 1 . . . . 102 T H7 . 15083 1 21 . 1 1 2 2 DT H73 H 1 1.791 0.015 . 1 . . . . 102 T H7 . 15083 1 22 . 1 1 3 3 DT H1' H 1 6.191 0.015 . 1 . . . . 103 T H1' . 15083 1 23 . 1 1 3 3 DT H2' H 1 2.409 0.015 . 2 . . . . 103 T H2' . 15083 1 24 . 1 1 3 3 DT H2'' H 1 2.701 0.015 . 2 . . . . 103 T H2'' . 15083 1 25 . 1 1 3 3 DT H3 H 1 14.067 0.015 . 1 . . . . 103 T H3 . 15083 1 26 . 1 1 3 3 DT H3' H 1 5.101 0.015 . 1 . . . . 103 T H3' . 15083 1 27 . 1 1 3 3 DT H4' H 1 4.306 0.015 . 1 . . . . 103 T H4' . 15083 1 28 . 1 1 3 3 DT H5' H 1 4.187 0.015 . 2 . . . . 103 T H5' . 15083 1 29 . 1 1 3 3 DT H6 H 1 7.637 0.015 . 1 . . . . 103 T H6 . 15083 1 30 . 1 1 3 3 DT H71 H 1 1.738 0.015 . 1 . . . . 103 T H7 . 15083 1 31 . 1 1 3 3 DT H72 H 1 1.738 0.015 . 1 . . . . 103 T H7 . 15083 1 32 . 1 1 3 3 DT H73 H 1 1.738 0.015 . 1 . . . . 103 T H7 . 15083 1 33 . 1 1 4 4 DT H1' H 1 5.843 0.015 . 1 . . . . 104 T H1' . 15083 1 34 . 1 1 4 4 DT H2' H 1 2.059 0.015 . 2 . . . . 104 T H2' . 15083 1 35 . 1 1 4 4 DT H2'' H 1 2.708 0.015 . 2 . . . . 104 T H2'' . 15083 1 36 . 1 1 4 4 DT H3 H 1 14.136 0.015 . 1 . . . . 104 T H3 . 15083 1 37 . 1 1 4 4 DT H3' H 1 4.914 0.015 . 1 . . . . 104 T H3' . 15083 1 38 . 1 1 4 4 DT H4' H 1 4.057 0.015 . 1 . . . . 104 T H4' . 15083 1 39 . 1 1 4 4 DT H6 H 1 7.101 0.015 . 1 . . . . 104 T H6 . 15083 1 40 . 1 1 4 4 DT H71 H 1 1.547 0.015 . 1 . . . . 104 T H7 . 15083 1 41 . 1 1 4 4 DT H72 H 1 1.547 0.015 . 1 . . . . 104 T H7 . 15083 1 42 . 1 1 4 4 DT H73 H 1 1.547 0.015 . 1 . . . . 104 T H7 . 15083 1 43 . 1 1 5 5 DG H1 H 1 13.115 0.015 . 1 . . . . 105 G H1 . 15083 1 44 . 1 1 5 5 DG H1' H 1 5.378 0.015 . 1 . . . . 105 G H1' . 15083 1 45 . 1 1 5 5 DG H2' H 1 2.568 0.015 . 2 . . . . 105 G H2' . 15083 1 46 . 1 1 5 5 DG H2'' H 1 2.757 0.015 . 2 . . . . 105 G H2'' . 15083 1 47 . 1 1 5 5 DG H3' H 1 5.047 0.015 . 1 . . . . 105 G H3' . 15083 1 48 . 1 1 5 5 DG H4' H 1 4.307 0.015 . 1 . . . . 105 G H4' . 15083 1 49 . 1 1 5 5 DG H8 H 1 7.414 0.015 . 1 . . . . 105 G H8 . 15083 1 50 . 1 1 6 6 DG H1 H 1 13.107 0.015 . 1 . . . . 106 G H1 . 15083 1 51 . 1 1 6 6 DG H1' H 1 6.061 0.015 . 1 . . . . 106 G H1' . 15083 1 52 . 1 1 6 6 DG H2' H 1 2.526 0.015 . 2 . . . . 106 G H2' . 15083 1 53 . 1 1 6 6 DG H2'' H 1 2.906 0.015 . 2 . . . . 106 G H2'' . 15083 1 54 . 1 1 6 6 DG H3' H 1 5.014 0.015 . 1 . . . . 106 G H3' . 15083 1 55 . 1 1 6 6 DG H8 H 1 7.852 0.015 . 1 . . . . 106 G H8 . 15083 1 56 . 1 1 7 7 DC H1' H 1 5.629 0.015 . 1 . . . . 107 C H1' . 15083 1 57 . 1 1 7 7 DC H2' H 1 1.893 0.015 . 2 . . . . 107 C H2' . 15083 1 58 . 1 1 7 7 DC H2'' H 1 2.461 0.015 . 2 . . . . 107 C H2'' . 15083 1 59 . 1 1 7 7 DC H3' H 1 4.831 0.015 . 1 . . . . 107 C H3' . 15083 1 60 . 1 1 7 7 DC H41 H 1 6.001 0.015 . 1 . . . . 107 C H41 . 15083 1 61 . 1 1 7 7 DC H42 H 1 8.744 0.015 . 1 . . . . 107 C H42 . 15083 1 62 . 1 1 7 7 DC H4' H 1 4.085 0.015 . 1 . . . . 107 C H4' . 15083 1 63 . 1 1 7 7 DC H5 H 1 5.323 0.015 . 1 . . . . 107 C H5 . 15083 1 64 . 1 1 7 7 DC H5' H 1 4.13 0.015 . 2 . . . . 107 C H5' . 15083 1 65 . 1 1 7 7 DC H6 H 1 7.106 0.015 . 1 . . . . 107 C H6 . 15083 1 66 . 1 1 8 8 DA H1' H 1 5.988 0.015 . 1 . . . . 108 A H1' . 15083 1 67 . 1 1 8 8 DA H2 H 1 7.437 0.015 . 1 . . . . 108 A H2 . 15083 1 68 . 1 1 8 8 DA H2' H 1 2.552 0.015 . 2 . . . . 108 A H2' . 15083 1 69 . 1 1 8 8 DA H2'' H 1 2.696 0.015 . 2 . . . . 108 A H2'' . 15083 1 70 . 1 1 8 8 DA H3' H 1 4.973 0.015 . 1 . . . . 108 A H3' . 15083 1 71 . 1 1 8 8 DA H4' H 1 4.313 0.015 . 1 . . . . 108 A H4' . 15083 1 72 . 1 1 8 8 DA H61 H 1 6.733 0.015 . 1 . . . . 108 A H6# . 15083 1 73 . 1 1 8 8 DA H62 H 1 6.733 0.015 . 1 . . . . 108 A H6# . 15083 1 74 . 1 1 8 8 DA H8 H 1 8.208 0.015 . 1 . . . . 108 A H8 . 15083 1 75 . 1 1 9 9 DC H1' H 1 5.482 0.015 . 1 . . . . 109 C H1' . 15083 1 76 . 1 1 9 9 DC H2' H 1 1.945 0.015 . 2 . . . . 109 C H2' . 15083 1 77 . 1 1 9 9 DC H2'' H 1 2.319 0.015 . 2 . . . . 109 C H2'' . 15083 1 78 . 1 1 9 9 DC H3' H 1 4.826 0.015 . 1 . . . . 109 C H3' . 15083 1 79 . 1 1 9 9 DC H41 H 1 6.287 0.015 . 1 . . . . 109 C H41 . 15083 1 80 . 1 1 9 9 DC H42 H 1 7.88 0.015 . 1 . . . . 109 C H42 . 15083 1 81 . 1 1 9 9 DC H5 H 1 5.151 0.015 . 1 . . . . 109 C H5 . 15083 1 82 . 1 1 9 9 DC H6 H 1 7.282 0.015 . 1 . . . . 109 C H6 . 15083 1 83 . 1 1 10 10 DG H1 H 1 12.85 0.015 . 1 . . . . 110 G H1 . 15083 1 84 . 1 1 10 10 DG H1' H 1 6.048 0.015 . 1 . . . . 110 G H1' . 15083 1 85 . 1 1 10 10 DG H21 H 1 6.768 0.015 . 1 . . . . 110 G H2# . 15083 1 86 . 1 1 10 10 DG H22 H 1 6.768 0.015 . 1 . . . . 110 G H2# . 15083 1 87 . 1 1 10 10 DG H2'' H 1 2.853 0.015 . 2 . . . . 110 G H2'' . 15083 1 88 . 1 1 10 10 DG H3' H 1 5.013 0.015 . 1 . . . . 110 G H3' . 15083 1 89 . 1 1 10 10 DG H4' H 1 4.404 0.015 . 1 . . . . 110 G H4' . 15083 1 90 . 1 1 10 10 DG H5' H 1 4.174 0.015 . 2 . . . . 110 G H5' . 15083 1 91 . 1 1 10 10 DG H8 H 1 7.947 0.015 . 1 . . . . 110 G H8 . 15083 1 92 . 1 1 11 11 DT H1' H 1 6.05 0.015 . 1 . . . . 111 T H1' . 15083 1 93 . 1 1 11 11 DT H2' H 1 2.145 0.015 . 2 . . . . 111 T H2' . 15083 1 94 . 1 1 11 11 DT H2'' H 1 2.616 0.015 . 2 . . . . 111 T H2'' . 15083 1 95 . 1 1 11 11 DT H3 H 1 13.817 0.015 . 1 . . . . 111 T H3 . 15083 1 96 . 1 1 11 11 DT H3' H 1 4.887 0.015 . 1 . . . . 111 T H3' . 15083 1 97 . 1 1 11 11 DT H4' H 1 4.272 0.015 . 1 . . . . 111 T H4' . 15083 1 98 . 1 1 11 11 DT H5' H 1 4.174 0.015 . 2 . . . . 111 T H5' . 15083 1 99 . 1 1 11 11 DT H6 H 1 7.267 0.015 . 1 . . . . 111 T H6 . 15083 1 100 . 1 1 11 11 DT H71 H 1 1.462 0.015 . 1 . . . . 111 T H7 . 15083 1 101 . 1 1 11 11 DT H72 H 1 1.462 0.015 . 1 . . . . 111 T H7 . 15083 1 102 . 1 1 11 11 DT H73 H 1 1.462 0.015 . 1 . . . . 111 T H7 . 15083 1 103 . 1 1 12 12 DT H1' H 1 6.165 0.015 . 1 . . . . 112 T H1' . 15083 1 104 . 1 1 12 12 DT H2' H 1 2.195 0.015 . 2 . . . . 112 T H2' . 15083 1 105 . 1 1 12 12 DT H2'' H 1 2.649 0.015 . 2 . . . . 112 T H2'' . 15083 1 106 . 1 1 12 12 DT H3 H 1 13.998 0.015 . 1 . . . . 112 T H3 . 15083 1 107 . 1 1 12 12 DT H3' H 1 4.925 0.015 . 1 . . . . 112 T H3' . 15083 1 108 . 1 1 12 12 DT H6 H 1 7.492 0.015 . 1 . . . . 112 T H6 . 15083 1 109 . 1 1 12 12 DT H71 H 1 1.66 0.015 . 1 . . . . 112 T H7 . 15083 1 110 . 1 1 12 12 DT H72 H 1 1.66 0.015 . 1 . . . . 112 T H7 . 15083 1 111 . 1 1 12 12 DT H73 H 1 1.66 0.015 . 1 . . . . 112 T H7 . 15083 1 112 . 1 1 13 13 DT H1' H 1 6.184 0.015 . 1 . . . . 113 T H1' . 15083 1 113 . 1 1 13 13 DT H2' H 1 2.192 0.015 . 2 . . . . 113 T H2' . 15083 1 114 . 1 1 13 13 DT H2'' H 1 2.572 0.015 . 2 . . . . 113 T H2'' . 15083 1 115 . 1 1 13 13 DT H3' H 1 4.931 0.015 . 1 . . . . 113 T H3' . 15083 1 116 . 1 1 13 13 DT H4' H 1 4.185 0.015 . 1 . . . . 113 T H4' . 15083 1 117 . 1 1 13 13 DT H6 H 1 7.46 0.015 . 1 . . . . 113 T H6 . 15083 1 118 . 1 1 13 13 DT H71 H 1 1.738 0.015 . 1 . . . . 113 T H7 . 15083 1 119 . 1 1 13 13 DT H72 H 1 1.738 0.015 . 1 . . . . 113 T H7 . 15083 1 120 . 1 1 13 13 DT H73 H 1 1.738 0.015 . 1 . . . . 113 T H7 . 15083 1 121 . 1 1 14 14 DC H1' H 1 6.29 0.015 . 1 . . . . 114 C H1' . 15083 1 122 . 1 1 14 14 DC H2' H 1 2.307 0.015 . 2 . . . . 114 C H2' . 15083 1 123 . 1 1 14 14 DC H3' H 1 4.606 0.015 . 1 . . . . 114 C H3' . 15083 1 124 . 1 1 14 14 DC H4' H 1 4.052 0.015 . 1 . . . . 114 C H4' . 15083 1 125 . 1 1 14 14 DC H5 H 1 5.768 0.015 . 1 . . . . 114 C H5 . 15083 1 126 . 1 1 14 14 DC H6 H 1 7.627 0.015 . 1 . . . . 114 C H6 . 15083 1 127 . 2 2 1 1 DG H1' H 1 5.501 0.015 . 1 . . . . 115 G H1' . 15083 1 128 . 2 2 1 1 DG H2' H 1 2.415 0.015 . 2 . . . . 115 G H2' . 15083 1 129 . 2 2 1 1 DG H2'' H 1 2.63 0.015 . 2 . . . . 115 G H2'' . 15083 1 130 . 2 2 1 1 DG H3' H 1 4.826 0.015 . 1 . . . . 115 G H3' . 15083 1 131 . 2 2 1 1 DG H4' H 1 3.679 0.015 . 1 . . . . 115 G H4' . 15083 1 132 . 2 2 1 1 DG H5' H 1 4.174 0.015 . 2 . . . . 115 G H5' . 15083 1 133 . 2 2 1 1 DG H8 H 1 7.844 0.015 . 1 . . . . 115 G H8 . 15083 1 134 . 2 2 2 2 DA H1' H 1 5.819 0.015 . 1 . . . . 116 A H1' . 15083 1 135 . 2 2 2 2 DA H2 H 1 7.439 0.015 . 1 . . . . 116 A H2 . 15083 1 136 . 2 2 2 2 DA H2' H 1 2.757 0.015 . 2 . . . . 116 A H2' . 15083 1 137 . 2 2 2 2 DA H2'' H 1 2.875 0.015 . 2 . . . . 116 A H2'' . 15083 1 138 . 2 2 2 2 DA H3' H 1 5.06 0.015 . 1 . . . . 116 A H3' . 15083 1 139 . 2 2 2 2 DA H4' H 1 4.402 0.015 . 1 . . . . 116 A H4' . 15083 1 140 . 2 2 2 2 DA H8 H 1 8.214 0.015 . 1 . . . . 116 A H8 . 15083 1 141 . 2 2 3 3 DA H1' H 1 5.913 0.015 . 1 . . . . 117 A H1' . 15083 1 142 . 2 2 3 3 DA H2 H 1 7.271 0.015 . 1 . . . . 117 A H2 . 15083 1 143 . 2 2 3 3 DA H2' H 1 2.664 0.015 . 2 . . . . 117 A H2' . 15083 1 144 . 2 2 3 3 DA H2'' H 1 2.872 0.015 . 2 . . . . 117 A H2'' . 15083 1 145 . 2 2 3 3 DA H3' H 1 5.075 0.015 . 1 . . . . 117 A H3' . 15083 1 146 . 2 2 3 3 DA H4' H 1 4.466 0.015 . 1 . . . . 117 A H4' . 15083 1 147 . 2 2 3 3 DA H5' H 1 4.257 0.015 . 2 . . . . 117 A H5' . 15083 1 148 . 2 2 3 3 DA H8 H 1 8.119 0.015 . 1 . . . . 117 A H8 . 15083 1 149 . 2 2 4 4 DA H1' H 1 6.061 0.015 . 1 . . . . 118 A H1' . 15083 1 150 . 2 2 4 4 DA H2 H 1 7.622 0.015 . 1 . . . . 118 A H2 . 15083 1 151 . 2 2 4 4 DA H2' H 1 2.592 0.015 . 2 . . . . 118 A H2' . 15083 1 152 . 2 2 4 4 DA H2'' H 1 2.783 0.015 . 2 . . . . 118 A H2'' . 15083 1 153 . 2 2 4 4 DA H3' H 1 5.012 0.015 . 1 . . . . 118 A H3' . 15083 1 154 . 2 2 4 4 DA H4' H 1 4.473 0.015 . 1 . . . . 118 A H4' . 15083 1 155 . 2 2 4 4 DA H8 H 1 8.057 0.015 . 1 . . . . 118 A H8 . 15083 1 156 . 2 2 5 5 DC H1' H 1 5.488 0.015 . 1 . . . . 119 C H1' . 15083 1 157 . 2 2 5 5 DC H2' H 1 1.685 0.015 . 2 . . . . 119 C H2' . 15083 1 158 . 2 2 5 5 DC H2'' H 1 2.273 0.015 . 2 . . . . 119 C H2'' . 15083 1 159 . 2 2 5 5 DC H3' H 1 4.611 0.015 . 1 . . . . 119 C H3' . 15083 1 160 . 2 2 5 5 DC H41 H 1 6.247 0.015 . 1 . . . . 119 C H41 . 15083 1 161 . 2 2 5 5 DC H42 H 1 7.849 0.015 . 1 . . . . 119 C H42 . 15083 1 162 . 2 2 5 5 DC H5 H 1 5.072 0.015 . 1 . . . . 119 C H5 . 15083 1 163 . 2 2 5 5 DC H6 H 1 7.14 0.015 . 1 . . . . 119 C H6 . 15083 1 164 . 2 2 6 6 DG H1 H 1 12.61 0.015 . 1 . . . . 120 G H1 . 15083 1 165 . 2 2 6 6 DG H1' H 1 6.13 0.015 . 1 . . . . 120 G H1' . 15083 1 166 . 2 2 6 6 DG H21 H 1 6.74 0.015 . 1 . . . . 120 G H2# . 15083 1 167 . 2 2 6 6 DG H22 H 1 6.74 0.015 . 1 . . . . 120 G H2# . 15083 1 168 . 2 2 6 6 DG H2' H 1 2.439 0.015 . 2 . . . . 120 G H2' . 15083 1 169 . 2 2 6 6 DG H2'' H 1 2.969 0.015 . 2 . . . . 120 G H2'' . 15083 1 170 . 2 2 6 6 DG H3' H 1 5.066 0.015 . 1 . . . . 120 G H3' . 15083 1 171 . 2 2 6 6 DG H4' H 1 4.48 0.015 . 1 . . . . 120 G H4' . 15083 1 172 . 2 2 6 6 DG H5' H 1 4.164 0.015 . 2 . . . . 120 G H5' . 15083 1 173 . 2 2 6 6 DG H8 H 1 8.032 0.015 . 1 . . . . 120 G H8 . 15083 1 174 . 2 2 7 7 DT H1' H 1 5.428 0.015 . 1 . . . . 121 T H1' . 15083 1 175 . 2 2 7 7 DT H2' H 1 1.894 0.015 . 2 . . . . 121 T H2' . 15083 1 176 . 2 2 7 7 DT H2'' H 1 2.513 0.015 . 2 . . . . 121 T H2'' . 15083 1 177 . 2 2 7 7 DT H3 H 1 13.685 0.015 . 1 . . . . 121 T H3 . 15083 1 178 . 2 2 7 7 DT H3' H 1 4.814 0.015 . 1 . . . . 121 T H3' . 15083 1 179 . 2 2 7 7 DT H4' H 1 4.235 0.015 . 1 . . . . 121 T H4' . 15083 1 180 . 2 2 7 7 DT H5' H 1 4.175 0.015 . 2 . . . . 121 T H5' . 15083 1 181 . 2 2 7 7 DT H6 H 1 6.911 0.015 . 1 . . . . 121 T H6 . 15083 1 182 . 2 2 7 7 DT H71 H 1 1.5 0.015 . 1 . . . . 121 T H7 . 15083 1 183 . 2 2 7 7 DT H72 H 1 1.5 0.015 . 1 . . . . 121 T H7 . 15083 1 184 . 2 2 7 7 DT H73 H 1 1.5 0.015 . 1 . . . . 121 T H7 . 15083 1 185 . 2 2 8 8 DG H1 H 1 12.353 0.015 . 1 . . . . 122 G H1 . 15083 1 186 . 2 2 8 8 DG H1' H 1 5.993 0.015 . 1 . . . . 122 G H1' . 15083 1 187 . 2 2 8 8 DG H21 H 1 6.462 0.015 . 1 . . . . 122 G H2# . 15083 1 188 . 2 2 8 8 DG H22 H 1 6.462 0.015 . 1 . . . . 122 G H2# . 15083 1 189 . 2 2 8 8 DG H2' H 1 2.667 0.015 . 2 . . . . 122 G H2' . 15083 1 190 . 2 2 8 8 DG H2'' H 1 2.751 0.015 . 2 . . . . 122 G H2'' . 15083 1 191 . 2 2 8 8 DG H3' H 1 5.03 0.015 . 1 . . . . 122 G H3' . 15083 1 192 . 2 2 8 8 DG H4' H 1 4.434 0.015 . 1 . . . . 122 G H4' . 15083 1 193 . 2 2 8 8 DG H5' H 1 4.217 0.015 . 2 . . . . 122 G H5' . 15083 1 194 . 2 2 8 8 DG H8 H 1 7.981 0.015 . 1 . . . . 122 G H8 . 15083 1 195 . 2 2 9 9 DC H1' H 1 6.055 0.015 . 1 . . . . 123 C H1' . 15083 1 196 . 2 2 9 9 DC H2' H 1 2.063 0.015 . 2 . . . . 123 C H2' . 15083 1 197 . 2 2 9 9 DC H2'' H 1 2.536 0.015 . 2 . . . . 123 C H2'' . 15083 1 198 . 2 2 9 9 DC H3' H 1 4.872 0.015 . 1 . . . . 123 C H3' . 15083 1 199 . 2 2 9 9 DC H41 H 1 5.861 0.015 . 1 . . . . 123 C H41 . 15083 1 200 . 2 2 9 9 DC H42 H 1 8.162 0.015 . 1 . . . . 123 C H42 . 15083 1 201 . 2 2 9 9 DC H5 H 1 5.217 0.015 . 1 . . . . 123 C H5 . 15083 1 202 . 2 2 9 9 DC H6 H 1 7.414 0.015 . 1 . . . . 123 C H6 . 15083 1 203 . 2 2 10 10 DC H2' H 1 1.811 0.015 . 2 . . . . 124 C H2' . 15083 1 204 . 2 2 10 10 DC H2'' H 1 2.069 0.015 . 2 . . . . 124 C H2'' . 15083 1 205 . 2 2 10 10 DC H3' H 1 4.754 0.015 . 1 . . . . 124 C H3' . 15083 1 206 . 2 2 10 10 DC H41 H 1 6.634 0.015 . 1 . . . . 124 C H41 . 15083 1 207 . 2 2 10 10 DC H42 H 1 8.499 0.015 . 1 . . . . 124 C H42 . 15083 1 208 . 2 2 10 10 DC H5 H 1 5.684 0.015 . 1 . . . . 124 C H5 . 15083 1 209 . 2 2 10 10 DC H6 H 1 7.436 0.015 . 1 . . . . 124 C H6 . 15083 1 210 . 2 2 11 11 DA H1' H 1 5.693 0.015 . 1 . . . . 125 A H1' . 15083 1 211 . 2 2 11 11 DA H2 H 1 7.391 0.015 . 1 . . . . 125 A H2 . 15083 1 212 . 2 2 11 11 DA H8 H 1 8.223 0.015 . 1 . . . . 125 A H8 . 15083 1 213 . 2 2 12 12 DA H1' H 1 5.697 0.015 . 1 . . . . 126 A H1' . 15083 1 214 . 2 2 12 12 DA H2 H 1 7.145 0.015 . 1 . . . . 126 A H2 . 15083 1 215 . 2 2 12 12 DA H2' H 1 2.554 0.015 . 2 . . . . 126 A H2' . 15083 1 216 . 2 2 12 12 DA H2'' H 1 2.717 0.015 . 2 . . . . 126 A H2'' . 15083 1 217 . 2 2 12 12 DA H3' H 1 5.01 0.015 . 1 . . . . 126 A H3' . 15083 1 218 . 2 2 12 12 DA H4' H 1 4.356 0.015 . 1 . . . . 126 A H4' . 15083 1 219 . 2 2 12 12 DA H5' H 1 4.179 0.015 . 2 . . . . 126 A H5' . 15083 1 220 . 2 2 12 12 DA H8 H 1 8.108 0.015 . 1 . . . . 126 A H8 . 15083 1 221 . 2 2 13 13 DA H1' H 1 5.825 0.015 . 1 . . . . 127 A H1' . 15083 1 222 . 2 2 13 13 DA H2 H 1 7.302 0.015 . 1 . . . . 127 A H2 . 15083 1 223 . 2 2 13 13 DA H2' H 1 2.494 0.015 . 2 . . . . 127 A H2' . 15083 1 224 . 2 2 13 13 DA H2'' H 1 2.714 0.015 . 2 . . . . 127 A H2'' . 15083 1 225 . 2 2 13 13 DA H3' H 1 4.965 0.015 . 1 . . . . 127 A H3' . 15083 1 226 . 2 2 13 13 DA H4' H 1 4.354 0.015 . 1 . . . . 127 A H4' . 15083 1 227 . 2 2 13 13 DA H5' H 1 4.177 0.015 . 2 . . . . 127 A H5' . 15083 1 228 . 2 2 13 13 DA H8 H 1 7.959 0.015 . 1 . . . . 127 A H8 . 15083 1 229 . 2 2 14 14 DA H1' H 1 6.155 0.015 . 1 . . . . 128 A H1' . 15083 1 230 . 2 2 14 14 DA H2 H 1 7.739 0.015 . 1 . . . . 128 A H2 . 15083 1 231 . 2 2 14 14 DA H2' H 1 2.36 0.015 . 2 . . . . 128 A H2' . 15083 1 232 . 2 2 14 14 DA H2'' H 1 2.522 0.015 . 2 . . . . 128 A H2'' . 15083 1 233 . 2 2 14 14 DA H3' H 1 4.66 0.015 . 1 . . . . 128 A H3' . 15083 1 234 . 2 2 14 14 DA H4' H 1 4.073 0.015 . 1 . . . . 128 A H4' . 15083 1 235 . 2 2 14 14 DA H8 H 1 8.028 0.015 . 1 . . . . 128 A H8 . 15083 1 236 . 3 3 1 1 HIS HA H 1 4.873 0.03 . 1 . . . . 14 HIS HA 15083 15083 1 237 . 3 3 1 1 HIS HB2 H 1 3.271 0.03 . 2 . . . . 14 HIS HB2 15083 15083 1 238 . 3 3 1 1 HIS HB3 H 1 3.349 0.03 . 2 . . . . 14 HIS HB3 15083 15083 1 239 . 3 3 1 1 HIS CA C 13 56.387 0.3 . 1 . . . . 14 HIS CA 15083 15083 1 240 . 3 3 1 1 HIS CB C 13 31.013 0.3 . 1 . . . . 14 HIS CB 15083 15083 1 241 . 3 3 2 2 MET H H 1 8.677 0.03 . 1 . . . . 15 MET HN 15083 15083 1 242 . 3 3 2 2 MET HA H 1 4.624 0.03 . 1 . . . . 15 MET HA 15083 15083 1 243 . 3 3 2 2 MET HB2 H 1 2.181 0.03 . 2 . . . . 15 MET HB2 15083 15083 1 244 . 3 3 2 2 MET HB3 H 1 2.231 0.03 . 2 . . . . 15 MET HB3 15083 15083 1 245 . 3 3 2 2 MET HG2 H 1 2.68 0.03 . 2 . . . . 15 MET HG2 15083 15083 1 246 . 3 3 2 2 MET HG3 H 1 2.744 0.03 . 2 . . . . 15 MET HG3 15083 15083 1 247 . 3 3 2 2 MET CA C 13 55.644 0.3 . 1 . . . . 15 MET CA 15083 15083 1 248 . 3 3 2 2 MET CB C 13 32.959 0.3 . 1 . . . . 15 MET CB 15083 15083 1 249 . 3 3 2 2 MET CG C 13 32.215 0.3 . 1 . . . . 15 MET CG 15083 15083 1 250 . 3 3 2 2 MET N N 15 122.255 0.3 . 1 . . . . 15 MET NN 15083 15083 1 251 . 3 3 3 3 LEU H H 1 8.44 0.03 . 1 . . . . 16 LEU HN 15083 15083 1 252 . 3 3 3 3 LEU HA H 1 4.557 0.03 . 1 . . . . 16 LEU HA 15083 15083 1 253 . 3 3 3 3 LEU HB2 H 1 1.641 0.03 . 2 . . . . 16 LEU HB2 15083 15083 1 254 . 3 3 3 3 LEU HB3 H 1 1.589 0.03 . 2 . . . . 16 LEU HB3 15083 15083 1 255 . 3 3 3 3 LEU HG H 1 1.536 0.03 . 1 . . . . 16 LEU HG 15083 15083 1 256 . 3 3 3 3 LEU HD11 H 1 0.574 0.03 . 1 . . . . 16 LEU QD1 15083 15083 1 257 . 3 3 3 3 LEU HD12 H 1 0.574 0.03 . 1 . . . . 16 LEU QD1 15083 15083 1 258 . 3 3 3 3 LEU HD13 H 1 0.574 0.03 . 1 . . . . 16 LEU QD1 15083 15083 1 259 . 3 3 3 3 LEU HD21 H 1 0.637 0.03 . 1 . . . . 16 LEU QD2 15083 15083 1 260 . 3 3 3 3 LEU HD22 H 1 0.637 0.03 . 1 . . . . 16 LEU QD2 15083 15083 1 261 . 3 3 3 3 LEU HD23 H 1 0.637 0.03 . 1 . . . . 16 LEU QD2 15083 15083 1 262 . 3 3 3 3 LEU CA C 13 54.9 0.3 . 1 . . . . 16 LEU CA 15083 15083 1 263 . 3 3 3 3 LEU CB C 13 43.422 0.3 . 1 . . . . 16 LEU CB 15083 15083 1 264 . 3 3 3 3 LEU CG C 13 27.38 0.3 . 1 . . . . 16 LEU CG 15083 15083 1 265 . 3 3 3 3 LEU CD1 C 13 25.812 0.3 . 1 . . . . 16 LEU CD1 15083 15083 1 266 . 3 3 3 3 LEU CD2 C 13 24.37 0.3 . 1 . . . . 16 LEU CD2 15083 15083 1 267 . 3 3 3 3 LEU N N 15 123.649 0.3 . 1 . . . . 16 LEU NN 15083 15083 1 268 . 3 3 4 4 THR H H 1 8.223 0.03 . 1 . . . . 17 THR HN 15083 15083 1 269 . 3 3 4 4 THR HA H 1 4.511 0.03 . 1 . . . . 17 THR HA 15083 15083 1 270 . 3 3 4 4 THR HB H 1 4.637 0.03 . 1 . . . . 17 THR HB 15083 15083 1 271 . 3 3 4 4 THR HG21 H 1 1.427 0.03 . 1 . . . . 17 THR QG2 15083 15083 1 272 . 3 3 4 4 THR HG22 H 1 1.427 0.03 . 1 . . . . 17 THR QG2 15083 15083 1 273 . 3 3 4 4 THR HG23 H 1 1.427 0.03 . 1 . . . . 17 THR QG2 15083 15083 1 274 . 3 3 4 4 THR CA C 13 61.222 0.3 . 1 . . . . 17 THR CA 15083 15083 1 275 . 3 3 4 4 THR CB C 13 70.52 0.3 . 1 . . . . 17 THR CB 15083 15083 1 276 . 3 3 4 4 THR CG2 C 13 23.661 0.3 . 1 . . . . 17 THR CG2 15083 15083 1 277 . 3 3 4 4 THR N N 15 113.529 0.3 . 1 . . . . 17 THR NN 15083 15083 1 278 . 3 3 5 5 GLN H H 1 8.786 0.03 . 1 . . . . 18 GLN HN 15083 15083 1 279 . 3 3 5 5 GLN HA H 1 4.063 0.03 . 1 . . . . 18 GLN HA 15083 15083 1 280 . 3 3 5 5 GLN HB2 H 1 2.123 0.03 . 2 . . . . 18 GLN HB2 15083 15083 1 281 . 3 3 5 5 GLN HB3 H 1 2.256 0.03 . 2 . . . . 18 GLN HB3 15083 15083 1 282 . 3 3 5 5 GLN HG2 H 1 2.428 0.03 . 2 . . . . 18 GLN HG2 15083 15083 1 283 . 3 3 5 5 GLN HG3 H 1 2.56 0.03 . 2 . . . . 18 GLN HG3 15083 15083 1 284 . 3 3 5 5 GLN HE21 H 1 7.544 0.03 . 2 . . . . 18 GLN HE21 15083 15083 1 285 . 3 3 5 5 GLN HE22 H 1 7.178 0.03 . 2 . . . . 18 GLN HE22 15083 15083 1 286 . 3 3 5 5 GLN CB C 13 27.49 0.3 . 1 . . . . 18 GLN CB 15083 15083 1 287 . 3 3 5 5 GLN CG C 13 34.446 0.3 . 1 . . . . 18 GLN CG 15083 15083 1 288 . 3 3 5 5 GLN N N 15 121.593 0.3 . 1 . . . . 18 GLN NN 15083 15083 1 289 . 3 3 6 6 GLY H H 1 8.687 0.03 . 1 . . . . 19 GLY HN 15083 15083 1 290 . 3 3 6 6 GLY HA2 H 1 4.004 0.03 . 2 . . . . 19 GLY HA1 15083 15083 1 291 . 3 3 6 6 GLY HA3 H 1 3.873 0.03 . 2 . . . . 19 GLY HA2 15083 15083 1 292 . 3 3 6 6 GLY CA C 13 47.091 0.3 . 1 . . . . 19 GLY CA 15083 15083 1 293 . 3 3 6 6 GLY N N 15 105.472 0.3 . 1 . . . . 19 GLY NN 15083 15083 1 294 . 3 3 7 7 GLU H H 1 7.762 0.03 . 1 . . . . 20 GLU HN 15083 15083 1 295 . 3 3 7 7 GLU HA H 1 4.085 0.03 . 1 . . . . 20 GLU HA 15083 15083 1 296 . 3 3 7 7 GLU HB2 H 1 2.008 0.03 . 2 . . . . 20 GLU HB2 15083 15083 1 297 . 3 3 7 7 GLU HB3 H 1 2.189 0.03 . 2 . . . . 20 GLU HB3 15083 15083 1 298 . 3 3 7 7 GLU HG2 H 1 2.324 0.03 . 2 . . . . 20 GLU HG2 15083 15083 1 299 . 3 3 7 7 GLU HG3 H 1 2.358 0.03 . 2 . . . . 20 GLU HG3 15083 15083 1 300 . 3 3 7 7 GLU CA C 13 59.009 0.3 . 1 . . . . 20 GLU CA 15083 15083 1 301 . 3 3 7 7 GLU CB C 13 30.727 0.3 . 1 . . . . 20 GLU CB 15083 15083 1 302 . 3 3 7 7 GLU CG C 13 36.678 0.3 . 1 . . . . 20 GLU CG 15083 15083 1 303 . 3 3 7 7 GLU N N 15 122.334 0.3 . 1 . . . . 20 GLU NN 15083 15083 1 304 . 3 3 8 8 LEU H H 1 8.151 0.03 . 1 . . . . 21 LEU HN 15083 15083 1 305 . 3 3 8 8 LEU HA H 1 3.875 0.03 . 1 . . . . 21 LEU HA 15083 15083 1 306 . 3 3 8 8 LEU HB2 H 1 1.589 0.03 . 2 . . . . 21 LEU HB2 15083 15083 1 307 . 3 3 8 8 LEU HB3 H 1 1.458 0.03 . 2 . . . . 21 LEU HB3 15083 15083 1 308 . 3 3 8 8 LEU HG H 1 1.289 0.03 . 1 . . . . 21 LEU HG 15083 15083 1 309 . 3 3 8 8 LEU HD11 H 1 0.404 0.03 . 1 . . . . 21 LEU QD1 15083 15083 1 310 . 3 3 8 8 LEU HD12 H 1 0.404 0.03 . 1 . . . . 21 LEU QD1 15083 15083 1 311 . 3 3 8 8 LEU HD13 H 1 0.404 0.03 . 1 . . . . 21 LEU QD1 15083 15083 1 312 . 3 3 8 8 LEU HD21 H 1 0.806 0.03 . 1 . . . . 21 LEU QD2 15083 15083 1 313 . 3 3 8 8 LEU HD22 H 1 0.806 0.03 . 1 . . . . 21 LEU QD2 15083 15083 1 314 . 3 3 8 8 LEU HD23 H 1 0.806 0.03 . 1 . . . . 21 LEU QD2 15083 15083 1 315 . 3 3 8 8 LEU CA C 13 57.875 0.3 . 1 . . . . 21 LEU CA 15083 15083 1 316 . 3 3 8 8 LEU CB C 13 40.939 0.3 . 1 . . . . 21 LEU CB 15083 15083 1 317 . 3 3 8 8 LEU CG C 13 27.752 0.3 . 1 . . . . 21 LEU CG 15083 15083 1 318 . 3 3 8 8 LEU CD1 C 13 25.678 0.3 . 1 . . . . 21 LEU CD1 15083 15083 1 319 . 3 3 8 8 LEU CD2 C 13 25.149 0.3 . 1 . . . . 21 LEU CD2 15083 15083 1 320 . 3 3 8 8 LEU N N 15 120.879 0.3 . 1 . . . . 21 LEU NN 15083 15083 1 321 . 3 3 9 9 MET H H 1 8.383 0.03 . 1 . . . . 22 MET HN 15083 15083 1 322 . 3 3 9 9 MET HA H 1 3.91 0.03 . 1 . . . . 22 MET HA 15083 15083 1 323 . 3 3 9 9 MET HB2 H 1 2.207 0.03 . 2 . . . . 22 MET HB2 15083 15083 1 324 . 3 3 9 9 MET HB3 H 1 2.314 0.03 . 2 . . . . 22 MET HB3 15083 15083 1 325 . 3 3 9 9 MET HG2 H 1 2.41 0.03 . 2 . . . . 22 MET HG2 15083 15083 1 326 . 3 3 9 9 MET HG3 H 1 2.893 0.03 . 2 . . . . 22 MET HG3 15083 15083 1 327 . 3 3 9 9 MET CA C 13 60.479 0.3 . 1 . . . . 22 MET CA 15083 15083 1 328 . 3 3 9 9 MET CB C 13 33.702 0.3 . 1 . . . . 22 MET CB 15083 15083 1 329 . 3 3 9 9 MET CG C 13 34.446 0.3 . 1 . . . . 22 MET CG 15083 15083 1 330 . 3 3 9 9 MET N N 15 116.745 0.3 . 1 . . . . 22 MET NN 15083 15083 1 331 . 3 3 10 10 LYS H H 1 7.516 0.03 . 1 . . . . 23 LYS HN 15083 15083 1 332 . 3 3 10 10 LYS HA H 1 3.997 0.03 . 1 . . . . 23 LYS HA 15083 15083 1 333 . 3 3 10 10 LYS HB3 H 1 1.988 0.03 . 2 . . . . 23 LYS HB3 15083 15083 1 334 . 3 3 10 10 LYS HG2 H 1 1.451 0.03 . 2 . . . . 23 LYS HG2 15083 15083 1 335 . 3 3 10 10 LYS HG3 H 1 1.647 0.03 . 2 . . . . 23 LYS HG3 15083 15083 1 336 . 3 3 10 10 LYS HD3 H 1 1.757 0.03 . 2 . . . . 23 LYS HD3 15083 15083 1 337 . 3 3 10 10 LYS HE3 H 1 3.049 0.03 . 2 . . . . 23 LYS HE3 15083 15083 1 338 . 3 3 10 10 LYS CA C 13 59.735 0.3 . 1 . . . . 23 LYS CA 15083 15083 1 339 . 3 3 10 10 LYS CB C 13 32.543 0.3 . 1 . . . . 23 LYS CB 15083 15083 1 340 . 3 3 10 10 LYS CG C 13 25.52 0.3 . 1 . . . . 23 LYS CG 15083 15083 1 341 . 3 3 10 10 LYS CD C 13 30.355 0.3 . 1 . . . . 23 LYS CD 15083 15083 1 342 . 3 3 10 10 LYS CE C 13 42.256 0.3 . 1 . . . . 23 LYS CE 15083 15083 1 343 . 3 3 10 10 LYS N N 15 118.212 0.3 . 1 . . . . 23 LYS NN 15083 15083 1 344 . 3 3 11 11 LEU H H 1 7.903 0.03 . 1 . . . . 24 LEU HN 15083 15083 1 345 . 3 3 11 11 LEU HA H 1 4.168 0.03 . 1 . . . . 24 LEU HA 15083 15083 1 346 . 3 3 11 11 LEU HB2 H 1 1.336 0.03 . 2 . . . . 24 LEU HB2 15083 15083 1 347 . 3 3 11 11 LEU HB3 H 1 1.898 0.03 . 2 . . . . 24 LEU HB3 15083 15083 1 348 . 3 3 11 11 LEU HG H 1 1.784 0.03 . 1 . . . . 24 LEU HG 15083 15083 1 349 . 3 3 11 11 LEU HD11 H 1 0.897 0.03 . 1 . . . . 24 LEU QD1 15083 15083 1 350 . 3 3 11 11 LEU HD12 H 1 0.897 0.03 . 1 . . . . 24 LEU QD1 15083 15083 1 351 . 3 3 11 11 LEU HD13 H 1 0.897 0.03 . 1 . . . . 24 LEU QD1 15083 15083 1 352 . 3 3 11 11 LEU HD21 H 1 0.611 0.03 . 1 . . . . 24 LEU QD2 15083 15083 1 353 . 3 3 11 11 LEU HD22 H 1 0.611 0.03 . 1 . . . . 24 LEU QD2 15083 15083 1 354 . 3 3 11 11 LEU HD23 H 1 0.611 0.03 . 1 . . . . 24 LEU QD2 15083 15083 1 355 . 3 3 11 11 LEU CA C 13 57.875 0.3 . 1 . . . . 24 LEU CA 15083 15083 1 356 . 3 3 11 11 LEU CB C 13 42.628 0.3 . 1 . . . . 24 LEU CB 15083 15083 1 357 . 3 3 11 11 LEU CG C 13 27.752 0.3 . 1 . . . . 24 LEU CG 15083 15083 1 358 . 3 3 11 11 LEU CD1 C 13 24.033 0.3 . 1 . . . . 24 LEU CD1 15083 15083 1 359 . 3 3 11 11 LEU CD2 C 13 26.636 0.3 . 1 . . . . 24 LEU CD2 15083 15083 1 360 . 3 3 11 11 LEU N N 15 119.643 0.3 . 1 . . . . 24 LEU NN 15083 15083 1 361 . 3 3 12 12 ILE H H 1 8.335 0.03 . 1 . . . . 25 ILE HN 15083 15083 1 362 . 3 3 12 12 ILE HA H 1 3.524 0.03 . 1 . . . . 25 ILE HA 15083 15083 1 363 . 3 3 12 12 ILE HB H 1 1.836 0.03 . 1 . . . . 25 ILE HB 15083 15083 1 364 . 3 3 12 12 ILE HG12 H 1 0.851 0.03 . 1 . . . . 25 ILE HG12 15083 15083 1 365 . 3 3 12 12 ILE HG13 H 1 1.998 0.03 . 1 . . . . 25 ILE HG13 15083 15083 1 366 . 3 3 12 12 ILE HG21 H 1 0.845 0.03 . 1 . . . . 25 ILE QG2 15083 15083 1 367 . 3 3 12 12 ILE HG22 H 1 0.845 0.03 . 1 . . . . 25 ILE QG2 15083 15083 1 368 . 3 3 12 12 ILE HG23 H 1 0.845 0.03 . 1 . . . . 25 ILE QG2 15083 15083 1 369 . 3 3 12 12 ILE HD11 H 1 0.963 0.03 . 1 . . . . 25 ILE QD1 15083 15083 1 370 . 3 3 12 12 ILE HD12 H 1 0.963 0.03 . 1 . . . . 25 ILE QD1 15083 15083 1 371 . 3 3 12 12 ILE HD13 H 1 0.963 0.03 . 1 . . . . 25 ILE QD1 15083 15083 1 372 . 3 3 12 12 ILE CA C 13 66.429 0.3 . 1 . . . . 25 ILE CA 15083 15083 1 373 . 3 3 12 12 ILE CB C 13 38.165 0.3 . 1 . . . . 25 ILE CB 15083 15083 1 374 . 3 3 12 12 ILE CG1 C 13 31.099 0.3 . 1 . . . . 25 ILE CG 15083 15083 1 375 . 3 3 12 12 ILE CG2 C 13 16.595 0.3 . 1 . . . . 25 ILE CG2 15083 15083 1 376 . 3 3 12 12 ILE CD1 C 13 16.223 0.3 . 1 . . . . 25 ILE CD1 15083 15083 1 377 . 3 3 12 12 ILE N N 15 118.613 0.3 . 1 . . . . 25 ILE NN 15083 15083 1 378 . 3 3 13 13 LYS H H 1 7.975 0.03 . 1 . . . . 26 LYS HN 15083 15083 1 379 . 3 3 13 13 LYS HA H 1 3.835 0.03 . 1 . . . . 26 LYS HA 15083 15083 1 380 . 3 3 13 13 LYS HB2 H 1 1.98 0.03 . 2 . . . . 26 LYS HB2 15083 15083 1 381 . 3 3 13 13 LYS HB3 H 1 2.11 0.03 . 2 . . . . 26 LYS HB3 15083 15083 1 382 . 3 3 13 13 LYS HG2 H 1 1.534 0.03 . 2 . . . . 26 LYS HG2 15083 15083 1 383 . 3 3 13 13 LYS HG3 H 1 1.647 0.03 . 2 . . . . 26 LYS HG3 15083 15083 1 384 . 3 3 13 13 LYS HD2 H 1 1.788 0.03 . 2 . . . . 26 LYS HD2 15083 15083 1 385 . 3 3 13 13 LYS HD3 H 1 1.84 0.03 . 2 . . . . 26 LYS HD3 15083 15083 1 386 . 3 3 13 13 LYS CA C 13 60.479 0.3 . 1 . . . . 26 LYS CA 15083 15083 1 387 . 3 3 13 13 LYS CB C 13 32.776 0.3 . 1 . . . . 26 LYS CB 15083 15083 1 388 . 3 3 13 13 LYS CG C 13 25.52 0.3 . 1 . . . . 26 LYS CG 15083 15083 1 389 . 3 3 13 13 LYS CD C 13 30.355 0.3 . 1 . . . . 26 LYS CD 15083 15083 1 390 . 3 3 13 13 LYS N N 15 118.39 0.3 . 1 . . . . 26 LYS NN 15083 15083 1 391 . 3 3 14 14 GLU H H 1 7.975 0.03 . 1 . . . . 27 GLU HN 15083 15083 1 392 . 3 3 14 14 GLU HA H 1 4.11 0.03 . 1 . . . . 27 GLU HA 15083 15083 1 393 . 3 3 14 14 GLU HB3 H 1 2.223 0.03 . 2 . . . . 27 GLU HB3 15083 15083 1 394 . 3 3 14 14 GLU HG2 H 1 2.305 0.03 . 2 . . . . 27 GLU HG2 15083 15083 1 395 . 3 3 14 14 GLU HG3 H 1 2.492 0.03 . 2 . . . . 27 GLU HG3 15083 15083 1 396 . 3 3 14 14 GLU CB C 13 30.727 0.3 . 1 . . . . 27 GLU CB 15083 15083 1 397 . 3 3 14 14 GLU CG C 13 36.678 0.3 . 1 . . . . 27 GLU CG 15083 15083 1 398 . 3 3 14 14 GLU N N 15 118.393 0.3 . 1 . . . . 27 GLU NN 15083 15083 1 399 . 3 3 15 15 ILE H H 1 8.378 0.03 . 1 . . . . 28 ILE HN 15083 15083 1 400 . 3 3 15 15 ILE HA H 1 3.831 0.03 . 1 . . . . 28 ILE HA 15083 15083 1 401 . 3 3 15 15 ILE HB H 1 1.985 0.03 . 1 . . . . 28 ILE HB 15083 15083 1 402 . 3 3 15 15 ILE HG12 H 1 1.119 0.03 . 1 . . . . 28 ILE HG12 15083 15083 1 403 . 3 3 15 15 ILE HG13 H 1 2.006 0.03 . 1 . . . . 28 ILE HG13 15083 15083 1 404 . 3 3 15 15 ILE HG21 H 1 0.95 0.03 . 1 . . . . 28 ILE QG2 15083 15083 1 405 . 3 3 15 15 ILE HG22 H 1 0.95 0.03 . 1 . . . . 28 ILE QG2 15083 15083 1 406 . 3 3 15 15 ILE HG23 H 1 0.95 0.03 . 1 . . . . 28 ILE QG2 15083 15083 1 407 . 3 3 15 15 ILE HD11 H 1 0.79 0.03 . 1 . . . . 28 ILE QD1 15083 15083 1 408 . 3 3 15 15 ILE HD12 H 1 0.79 0.03 . 1 . . . . 28 ILE QD1 15083 15083 1 409 . 3 3 15 15 ILE HD13 H 1 0.79 0.03 . 1 . . . . 28 ILE QD1 15083 15083 1 410 . 3 3 15 15 ILE CA C 13 64.941 0.3 . 1 . . . . 28 ILE CA 15083 15083 1 411 . 3 3 15 15 ILE CB C 13 38.747 0.3 . 1 . . . . 28 ILE CB 15083 15083 1 412 . 3 3 15 15 ILE CG1 C 13 30.355 0.3 . 1 . . . . 28 ILE CG 15083 15083 1 413 . 3 3 15 15 ILE CG2 C 13 19.198 0.3 . 1 . . . . 28 ILE CG2 15083 15083 1 414 . 3 3 15 15 ILE CD1 C 13 15.851 0.3 . 1 . . . . 28 ILE CD1 15083 15083 1 415 . 3 3 15 15 ILE N N 15 121.101 0.3 . 1 . . . . 28 ILE NN 15083 15083 1 416 . 3 3 16 16 VAL H H 1 8.203 0.03 . 1 . . . . 29 VAL HN 15083 15083 1 417 . 3 3 16 16 VAL HA H 1 3.705 0.03 . 1 . . . . 29 VAL HA 15083 15083 1 418 . 3 3 16 16 VAL HB H 1 2.219 0.03 . 1 . . . . 29 VAL HB 15083 15083 1 419 . 3 3 16 16 VAL HG11 H 1 1.119 0.03 . 1 . . . . 29 VAL QG1 15083 15083 1 420 . 3 3 16 16 VAL HG12 H 1 1.119 0.03 . 1 . . . . 29 VAL QG1 15083 15083 1 421 . 3 3 16 16 VAL HG13 H 1 1.119 0.03 . 1 . . . . 29 VAL QG1 15083 15083 1 422 . 3 3 16 16 VAL HG21 H 1 1.015 0.03 . 1 . . . . 29 VAL QG2 15083 15083 1 423 . 3 3 16 16 VAL HG22 H 1 1.015 0.03 . 1 . . . . 29 VAL QG2 15083 15083 1 424 . 3 3 16 16 VAL HG23 H 1 1.015 0.03 . 1 . . . . 29 VAL QG2 15083 15083 1 425 . 3 3 16 16 VAL CA C 13 43 0.3 . 1 . . . . 29 VAL CA 15083 15083 1 426 . 3 3 16 16 VAL CB C 13 31.843 0.3 . 1 . . . . 29 VAL CB 15083 15083 1 427 . 3 3 16 16 VAL CG1 C 13 23.327 0.3 . 1 . . . . 29 VAL CG1 15083 15083 1 428 . 3 3 16 16 VAL CG2 C 13 21.476 0.3 . 1 . . . . 29 VAL CG2 15083 15083 1 429 . 3 3 16 16 VAL N N 15 118.804 0.3 . 1 . . . . 29 VAL NN 15083 15083 1 430 . 3 3 17 17 GLU H H 1 8.659 0.03 . 1 . . . . 30 GLU HN 15083 15083 1 431 . 3 3 17 17 GLU HA H 1 4.165 0.03 . 1 . . . . 30 GLU HA 15083 15083 1 432 . 3 3 17 17 GLU HB2 H 1 2.12 0.03 . 2 . . . . 30 GLU HB2 15083 15083 1 433 . 3 3 17 17 GLU HB3 H 1 2.269 0.03 . 2 . . . . 30 GLU HB3 15083 15083 1 434 . 3 3 17 17 GLU HG3 H 1 2.56 0.03 . 2 . . . . 30 GLU HG3 15083 15083 1 435 . 3 3 17 17 GLU CA C 13 59.106 0.3 . 1 . . . . 30 GLU CA 15083 15083 1 436 . 3 3 17 17 GLU CB C 13 29.736 0.3 . 1 . . . . 30 GLU CB 15083 15083 1 437 . 3 3 17 17 GLU CG C 13 37.05 0.3 . 1 . . . . 30 GLU CG 15083 15083 1 438 . 3 3 17 17 GLU N N 15 118.836 0.3 . 1 . . . . 30 GLU NN 15083 15083 1 439 . 3 3 18 18 ASN H H 1 7.413 0.03 . 1 . . . . 31 ASN HN 15083 15083 1 440 . 3 3 18 18 ASN HA H 1 5.026 0.03 . 1 . . . . 31 ASN HA 15083 15083 1 441 . 3 3 18 18 ASN HB2 H 1 2.891 0.03 . 2 . . . . 31 ASN HB2 15083 15083 1 442 . 3 3 18 18 ASN HB3 H 1 3.113 0.03 . 2 . . . . 31 ASN HB3 15083 15083 1 443 . 3 3 18 18 ASN HD21 H 1 7.93 0.03 . 2 . . . . 31 ASN HD21 15083 15083 1 444 . 3 3 18 18 ASN HD22 H 1 7.218 0.03 . 2 . . . . 31 ASN HD22 15083 15083 1 445 . 3 3 18 18 ASN CA C 13 53.785 0.3 . 1 . . . . 31 ASN CA 15083 15083 1 446 . 3 3 18 18 ASN CB C 13 40.416 0.3 . 1 . . . . 31 ASN CB 15083 15083 1 447 . 3 3 18 18 ASN N N 15 114.665 0.3 . 1 . . . . 31 ASN NN 15083 15083 1 448 . 3 3 18 18 ASN ND2 N 15 115.563 0.3 . 1 . . . . 31 ASN ND2 15083 15083 1 449 . 3 3 19 19 GLU H H 1 7.327 0.03 . 1 . . . . 32 GLU HN 15083 15083 1 450 . 3 3 19 19 GLU HA H 1 4.337 0.03 . 1 . . . . 32 GLU HA 15083 15083 1 451 . 3 3 19 19 GLU HB2 H 1 1.938 0.03 . 2 . . . . 32 GLU HB2 15083 15083 1 452 . 3 3 19 19 GLU HB3 H 1 2.272 0.03 . 2 . . . . 32 GLU HB3 15083 15083 1 453 . 3 3 19 19 GLU HG2 H 1 1.483 0.03 . 2 . . . . 32 GLU HG2 15083 15083 1 454 . 3 3 19 19 GLU HG3 H 1 2.621 0.03 . 2 . . . . 32 GLU HG3 15083 15083 1 455 . 3 3 19 19 GLU CA C 13 54.901 0.3 . 1 . . . . 32 GLU CA 15083 15083 1 456 . 3 3 19 19 GLU CB C 13 30.355 0.3 . 1 . . . . 32 GLU CB 15083 15083 1 457 . 3 3 19 19 GLU CG C 13 33.702 0.3 . 1 . . . . 32 GLU CG 15083 15083 1 458 . 3 3 19 19 GLU N N 15 121.126 0.3 . 1 . . . . 32 GLU NN 15083 15083 1 459 . 3 3 20 20 ASP H H 1 7.879 0.03 . 1 . . . . 33 ASP HN 15083 15083 1 460 . 3 3 20 20 ASP HA H 1 4.667 0.03 . 1 . . . . 33 ASP HA 15083 15083 1 461 . 3 3 20 20 ASP HB2 H 1 2.579 0.03 . 2 . . . . 33 ASP HB2 15083 15083 1 462 . 3 3 20 20 ASP HB3 H 1 2.827 0.03 . 2 . . . . 33 ASP HB3 15083 15083 1 463 . 3 3 20 20 ASP CA C 13 52.669 0.3 . 1 . . . . 33 ASP CA 15083 15083 1 464 . 3 3 20 20 ASP CB C 13 40.884 0.3 . 1 . . . . 33 ASP CB 15083 15083 1 465 . 3 3 20 20 ASP N N 15 119.643 0.3 . 1 . . . . 33 ASP NN 15083 15083 1 466 . 3 3 21 21 LYS H H 1 8.786 0.03 . 1 . . . . 34 LYS HN 15083 15083 1 467 . 3 3 21 21 LYS HA H 1 3.87 0.03 . 1 . . . . 34 LYS HA 15083 15083 1 468 . 3 3 21 21 LYS HB2 H 1 1.932 0.03 . 2 . . . . 34 LYS HB2 15083 15083 1 469 . 3 3 21 21 LYS HB3 H 1 2.155 0.03 . 2 . . . . 34 LYS HB3 15083 15083 1 470 . 3 3 21 21 LYS HG2 H 1 1.665 0.03 . 2 . . . . 34 LYS HG2 15083 15083 1 471 . 3 3 21 21 LYS HG3 H 1 1.725 0.03 . 2 . . . . 34 LYS HG3 15083 15083 1 472 . 3 3 21 21 LYS HD2 H 1 1.797 0.03 . 2 . . . . 34 LYS HD2 15083 15083 1 473 . 3 3 21 21 LYS HD3 H 1 1.836 0.03 . 2 . . . . 34 LYS HD3 15083 15083 1 474 . 3 3 21 21 LYS CA C 13 57.131 0.3 . 1 . . . . 34 LYS CA 15083 15083 1 475 . 3 3 21 21 LYS CB C 13 32.012 0.3 . 1 . . . . 34 LYS CB 15083 15083 1 476 . 3 3 21 21 LYS CG C 13 25.52 0.3 . 1 . . . . 34 LYS CG 15083 15083 1 477 . 3 3 21 21 LYS CD C 13 28.868 0.3 . 1 . . . . 34 LYS CD 15083 15083 1 478 . 3 3 21 21 LYS CE C 13 43 0.3 . 1 . . . . 34 LYS CE 15083 15083 1 479 . 3 3 21 21 LYS N N 15 126.782 0.3 . 1 . . . . 34 LYS NN 15083 15083 1 480 . 3 3 22 22 ARG H H 1 8.39 0.03 . 1 . . . . 35 ARG HN 15083 15083 1 481 . 3 3 22 22 ARG HA H 1 4.444 0.03 . 1 . . . . 35 ARG HA 15083 15083 1 482 . 3 3 22 22 ARG HB3 H 1 1.91 0.03 . 2 . . . . 35 ARG HB3 15083 15083 1 483 . 3 3 22 22 ARG HG3 H 1 1.767 0.03 . 2 . . . . 35 ARG HG3 15083 15083 1 484 . 3 3 22 22 ARG HD2 H 1 3.269 0.03 . 2 . . . . 35 ARG HD2 15083 15083 1 485 . 3 3 22 22 ARG HD3 H 1 3.337 0.03 . 2 . . . . 35 ARG HD3 15083 15083 1 486 . 3 3 22 22 ARG CA C 13 57.074 0.3 . 1 . . . . 35 ARG CA 15083 15083 1 487 . 3 3 22 22 ARG CB C 13 30.355 0.3 . 1 . . . . 35 ARG CB 15083 15083 1 488 . 3 3 22 22 ARG CG C 13 27.752 0.3 . 1 . . . . 35 ARG CG 15083 15083 1 489 . 3 3 22 22 ARG CD C 13 43.372 0.3 . 1 . . . . 35 ARG CD 15083 15083 1 490 . 3 3 22 22 ARG N N 15 116.745 0.3 . 1 . . . . 35 ARG NN 15083 15083 1 491 . 3 3 23 23 LYS H H 1 7.656 0.03 . 1 . . . . 36 LYS HN 15083 15083 1 492 . 3 3 23 23 LYS HA H 1 4.44 0.03 . 1 . . . . 36 LYS HA 15083 15083 1 493 . 3 3 23 23 LYS HB2 H 1 1.509 0.03 . 2 . . . . 36 LYS HB2 15083 15083 1 494 . 3 3 23 23 LYS HB3 H 1 1.81 0.03 . 2 . . . . 36 LYS HB3 15083 15083 1 495 . 3 3 23 23 LYS HG2 H 1 1.353 0.03 . 2 . . . . 36 LYS HG2 15083 15083 1 496 . 3 3 23 23 LYS HG3 H 1 1.42 0.03 . 2 . . . . 36 LYS HG3 15083 15083 1 497 . 3 3 23 23 LYS HD3 H 1 1.75 0.03 . 2 . . . . 36 LYS HD3 15083 15083 1 498 . 3 3 23 23 LYS HE3 H 1 3.11 0.03 . 2 . . . . 36 LYS HE3 15083 15083 1 499 . 3 3 23 23 LYS CA C 13 54.157 0.3 . 1 . . . . 36 LYS CA 15083 15083 1 500 . 3 3 23 23 LYS CB C 13 32.587 0.3 . 1 . . . . 36 LYS CB 15083 15083 1 501 . 3 3 23 23 LYS CG C 13 24.777 0.3 . 1 . . . . 36 LYS CG 15083 15083 1 502 . 3 3 23 23 LYS N N 15 118.155 0.3 . 1 . . . . 36 LYS NN 15083 15083 1 503 . 3 3 24 24 PRO HA H 1 3.909 0.03 . 1 . . . . 37 PRO HA 15083 15083 1 504 . 3 3 24 24 PRO HB2 H 1 1.637 0.03 . 2 . . . . 37 PRO HB2 15083 15083 1 505 . 3 3 24 24 PRO HB3 H 1 2.365 0.03 . 2 . . . . 37 PRO HB3 15083 15083 1 506 . 3 3 24 24 PRO HG2 H 1 1.729 0.03 . 2 . . . . 37 PRO HG2 15083 15083 1 507 . 3 3 24 24 PRO HG3 H 1 2.02 0.03 . 2 . . . . 37 PRO HG3 15083 15083 1 508 . 3 3 24 24 PRO HD2 H 1 3.427 0.03 . 2 . . . . 37 PRO HD2 15083 15083 1 509 . 3 3 24 24 PRO HD3 H 1 3.492 0.03 . 2 . . . . 37 PRO HD3 15083 15083 1 510 . 3 3 24 24 PRO CA C 13 62.71 0.3 . 1 . . . . 37 PRO CA 15083 15083 1 511 . 3 3 24 24 PRO CB C 13 32.215 0.3 . 1 . . . . 37 PRO CB 15083 15083 1 512 . 3 3 24 24 PRO CG C 13 51.554 0.3 . 1 . . . . 37 PRO CG 15083 15083 1 513 . 3 3 24 24 PRO CD C 13 26.264 0.3 . 1 . . . . 37 PRO CD 15083 15083 1 514 . 3 3 25 25 TYR H H 1 7.871 0.03 . 1 . . . . 38 TYR HN 15083 15083 1 515 . 3 3 25 25 TYR HA H 1 5.012 0.03 . 1 . . . . 38 TYR HA 15083 15083 1 516 . 3 3 25 25 TYR HB2 H 1 2.534 0.03 . 2 . . . . 38 TYR HB2 15083 15083 1 517 . 3 3 25 25 TYR HB3 H 1 3.392 0.03 . 2 . . . . 38 TYR HB3 15083 15083 1 518 . 3 3 25 25 TYR HD1 H 1 7.206 0.03 . 1 . . . . 38 TYR QD 15083 15083 1 519 . 3 3 25 25 TYR HD2 H 1 7.206 0.03 . 1 . . . . 38 TYR QD 15083 15083 1 520 . 3 3 25 25 TYR HE1 H 1 6.978 0.03 . 1 . . . . 38 TYR QE 15083 15083 1 521 . 3 3 25 25 TYR HE2 H 1 6.978 0.03 . 1 . . . . 38 TYR QE 15083 15083 1 522 . 3 3 25 25 TYR CA C 13 57.132 0.3 . 1 . . . . 38 TYR CA 15083 15083 1 523 . 3 3 25 25 TYR CB C 13 39.653 0.3 . 1 . . . . 38 TYR CB 15083 15083 1 524 . 3 3 25 25 TYR N N 15 119.196 0.3 . 1 . . . . 38 TYR NN 15083 15083 1 525 . 3 3 26 26 SER H H 1 9.483 0.03 . 1 . . . . 39 SER HN 15083 15083 1 526 . 3 3 26 26 SER HA H 1 4.607 0.03 . 1 . . . . 39 SER HA 15083 15083 1 527 . 3 3 26 26 SER HB3 H 1 4.37 0.03 . 2 . . . . 39 SER HB3 15083 15083 1 528 . 3 3 26 26 SER CA C 13 57.503 0.3 . 1 . . . . 39 SER CA 15083 15083 1 529 . 3 3 26 26 SER CB C 13 64.569 0.3 . 1 . . . . 39 SER CB 15083 15083 1 530 . 3 3 26 26 SER N N 15 120.525 0.3 . 1 . . . . 39 SER NN 15083 15083 1 531 . 3 3 27 27 ASP H H 1 9.646 0.03 . 1 . . . . 40 ASP HN 15083 15083 1 532 . 3 3 27 27 ASP HA H 1 4.653 0.03 . 1 . . . . 40 ASP HA 15083 15083 1 533 . 3 3 27 27 ASP HB2 H 1 2.557 0.03 . 2 . . . . 40 ASP HB2 15083 15083 1 534 . 3 3 27 27 ASP HB3 H 1 2.892 0.03 . 2 . . . . 40 ASP HB3 15083 15083 1 535 . 3 3 27 27 ASP CA C 13 58.247 0.3 . 1 . . . . 40 ASP CA 15083 15083 1 536 . 3 3 27 27 ASP CB C 13 38.537 0.3 . 1 . . . . 40 ASP CB 15083 15083 1 537 . 3 3 27 27 ASP N N 15 124.415 0.3 . 1 . . . . 40 ASP NN 15083 15083 1 538 . 3 3 28 28 GLN H H 1 9.755 0.03 . 1 . . . . 41 GLN HN 15083 15083 1 539 . 3 3 28 28 GLN HA H 1 3.923 0.03 . 1 . . . . 41 GLN HA 15083 15083 1 540 . 3 3 28 28 GLN HB2 H 1 2.215 0.03 . 2 . . . . 41 GLN HB2 15083 15083 1 541 . 3 3 28 28 GLN HB3 H 1 2.355 0.03 . 2 . . . . 41 GLN HB3 15083 15083 1 542 . 3 3 28 28 GLN HG3 H 1 2.606 0.03 . 2 . . . . 41 GLN HG3 15083 15083 1 543 . 3 3 28 28 GLN HE21 H 1 7.862 0.03 . 2 . . . . 41 GLN HE21 15083 15083 1 544 . 3 3 28 28 GLN HE22 H 1 7.16 0.03 . 2 . . . . 41 GLN HE22 15083 15083 1 545 . 3 3 28 28 GLN CA C 13 58.247 0.3 . 1 . . . . 41 GLN CA 15083 15083 1 546 . 3 3 28 28 GLN CB C 13 29.489 0.3 . 1 . . . . 41 GLN CB 15083 15083 1 547 . 3 3 28 28 GLN CG C 13 34.446 0.3 . 1 . . . . 41 GLN CG 15083 15083 1 548 . 3 3 28 28 GLN N N 15 122.056 0.3 . 1 . . . . 41 GLN NN 15083 15083 1 549 . 3 3 29 29 GLU H H 1 8.004 0.03 . 1 . . . . 42 GLU HN 15083 15083 1 550 . 3 3 29 29 GLU HA H 1 4.138 0.03 . 1 . . . . 42 GLU HA 15083 15083 1 551 . 3 3 29 29 GLU HB2 H 1 2.106 0.03 . 2 . . . . 42 GLU HB2 15083 15083 1 552 . 3 3 29 29 GLU HB3 H 1 2.73 0.03 . 2 . . . . 42 GLU HB3 15083 15083 1 553 . 3 3 29 29 GLU HG2 H 1 2.452 0.03 . 2 . . . . 42 GLU HG2 15083 15083 1 554 . 3 3 29 29 GLU HG3 H 1 2.621 0.03 . 2 . . . . 42 GLU HG3 15083 15083 1 555 . 3 3 29 29 GLU CA C 13 59.759 0.3 . 1 . . . . 42 GLU CA 15083 15083 1 556 . 3 3 29 29 GLU CB C 13 29.983 0.3 . 1 . . . . 42 GLU CB 15083 15083 1 557 . 3 3 29 29 GLU CG C 13 38.165 0.3 . 1 . . . . 42 GLU CG 15083 15083 1 558 . 3 3 29 29 GLU N N 15 120.956 0.3 . 1 . . . . 42 GLU NN 15083 15083 1 559 . 3 3 30 30 ILE H H 1 8.637 0.03 . 1 . . . . 43 ILE HN 15083 15083 1 560 . 3 3 30 30 ILE HA H 1 3.506 0.03 . 1 . . . . 43 ILE HA 15083 15083 1 561 . 3 3 30 30 ILE HB H 1 2.27 0.03 . 1 . . . . 43 ILE HB 15083 15083 1 562 . 3 3 30 30 ILE HG12 H 1 0.765 0.03 . 1 . . . . 43 ILE HG12 15083 15083 1 563 . 3 3 30 30 ILE HG13 H 1 2.18 0.03 . 1 . . . . 43 ILE HG13 15083 15083 1 564 . 3 3 30 30 ILE HG21 H 1 0.924 0.03 . 1 . . . . 43 ILE QG2 15083 15083 1 565 . 3 3 30 30 ILE HG22 H 1 0.924 0.03 . 1 . . . . 43 ILE QG2 15083 15083 1 566 . 3 3 30 30 ILE HG23 H 1 0.924 0.03 . 1 . . . . 43 ILE QG2 15083 15083 1 567 . 3 3 30 30 ILE HD11 H 1 0.949 0.03 . 1 . . . . 43 ILE QD1 15083 15083 1 568 . 3 3 30 30 ILE HD12 H 1 0.949 0.03 . 1 . . . . 43 ILE QD1 15083 15083 1 569 . 3 3 30 30 ILE HD13 H 1 0.949 0.03 . 1 . . . . 43 ILE QD1 15083 15083 1 570 . 3 3 30 30 ILE CA C 13 66.801 0.3 . 1 . . . . 43 ILE CA 15083 15083 1 571 . 3 3 30 30 ILE CB C 13 37.421 0.3 . 1 . . . . 43 ILE CB 15083 15083 1 572 . 3 3 30 30 ILE CG1 C 13 29.983 0.3 . 1 . . . . 43 ILE CG 15083 15083 1 573 . 3 3 30 30 ILE CG2 C 13 18.454 0.3 . 1 . . . . 43 ILE CG2 15083 15083 1 574 . 3 3 30 30 ILE CD1 C 13 13.248 0.3 . 1 . . . . 43 ILE CD1 15083 15083 1 575 . 3 3 30 30 ILE N N 15 120.109 0.3 . 1 . . . . 43 ILE NN 15083 15083 1 576 . 3 3 31 31 ALA H H 1 8.82 0.03 . 1 . . . . 44 ALA HN 15083 15083 1 577 . 3 3 31 31 ALA HA H 1 3.964 0.03 . 1 . . . . 44 ALA HA 15083 15083 1 578 . 3 3 31 31 ALA HB1 H 1 1.616 0.03 . 1 . . . . 44 ALA QB 15083 15083 1 579 . 3 3 31 31 ALA HB2 H 1 1.616 0.03 . 1 . . . . 44 ALA QB 15083 15083 1 580 . 3 3 31 31 ALA HB3 H 1 1.616 0.03 . 1 . . . . 44 ALA QB 15083 15083 1 581 . 3 3 31 31 ALA CA C 13 55.644 0.3 . 1 . . . . 44 ALA CA 15083 15083 1 582 . 3 3 31 31 ALA CB C 13 16.595 0.3 . 1 . . . . 44 ALA CB 15083 15083 1 583 . 3 3 31 31 ALA N N 15 122.31 0.3 . 1 . . . . 44 ALA NN 15083 15083 1 584 . 3 3 32 32 ASN H H 1 8.546 0.03 . 1 . . . . 45 ASN HN 15083 15083 1 585 . 3 3 32 32 ASN HA H 1 4.6 0.03 . 1 . . . . 45 ASN HA 15083 15083 1 586 . 3 3 32 32 ASN HB2 H 1 3.047 0.03 . 2 . . . . 45 ASN HB2 15083 15083 1 587 . 3 3 32 32 ASN HB3 H 1 3.219 0.03 . 2 . . . . 45 ASN HB3 15083 15083 1 588 . 3 3 32 32 ASN HD21 H 1 7.268 0.03 . 2 . . . . 45 ASN HD21 15083 15083 1 589 . 3 3 32 32 ASN HD22 H 1 7.14 0.03 . 2 . . . . 45 ASN HD22 15083 15083 1 590 . 3 3 32 32 ASN CA C 13 55.644 0.3 . 1 . . . . 45 ASN CA 15083 15083 1 591 . 3 3 32 32 ASN CB C 13 37.421 0.3 . 1 . . . . 45 ASN CB 15083 15083 1 592 . 3 3 32 32 ASN N N 15 119.273 0.3 . 1 . . . . 45 ASN NN 15083 15083 1 593 . 3 3 33 33 ILE H H 1 8.238 0.03 . 1 . . . . 46 ILE HN 15083 15083 1 594 . 3 3 33 33 ILE HA H 1 3.802 0.03 . 1 . . . . 46 ILE HA 15083 15083 1 595 . 3 3 33 33 ILE HB H 1 1.928 0.03 . 1 . . . . 46 ILE HB 15083 15083 1 596 . 3 3 33 33 ILE HG12 H 1 1.733 0.03 . 1 . . . . 46 ILE HG12 15083 15083 1 597 . 3 3 33 33 ILE HG13 H 1 0.948 0.03 . 1 . . . . 46 ILE HG13 15083 15083 1 598 . 3 3 33 33 ILE HG21 H 1 0.91 0.03 . 1 . . . . 46 ILE QG2 15083 15083 1 599 . 3 3 33 33 ILE HG22 H 1 0.91 0.03 . 1 . . . . 46 ILE QG2 15083 15083 1 600 . 3 3 33 33 ILE HG23 H 1 0.91 0.03 . 1 . . . . 46 ILE QG2 15083 15083 1 601 . 3 3 33 33 ILE HD11 H 1 0.244 0.03 . 1 . . . . 46 ILE QD1 15083 15083 1 602 . 3 3 33 33 ILE HD12 H 1 0.244 0.03 . 1 . . . . 46 ILE QD1 15083 15083 1 603 . 3 3 33 33 ILE HD13 H 1 0.244 0.03 . 1 . . . . 46 ILE QD1 15083 15083 1 604 . 3 3 33 33 ILE CA C 13 65.648 0.3 . 1 . . . . 46 ILE CA 15083 15083 1 605 . 3 3 33 33 ILE CB C 13 38.553 0.3 . 1 . . . . 46 ILE CB 15083 15083 1 606 . 3 3 33 33 ILE CG1 C 13 29.983 0.3 . 1 . . . . 46 ILE CG 15083 15083 1 607 . 3 3 33 33 ILE CG2 C 13 17.71 0.3 . 1 . . . . 46 ILE CG2 15083 15083 1 608 . 3 3 33 33 ILE CD1 C 13 13.62 0.3 . 1 . . . . 46 ILE CD1 15083 15083 1 609 . 3 3 33 33 ILE N N 15 125.504 0.3 . 1 . . . . 46 ILE NN 15083 15083 1 610 . 3 3 34 34 LEU H H 1 8.469 0.03 . 1 . . . . 47 LEU HN 15083 15083 1 611 . 3 3 34 34 LEU HA H 1 4.076 0.03 . 1 . . . . 47 LEU HA 15083 15083 1 612 . 3 3 34 34 LEU HB2 H 1 2.167 0.03 . 2 . . . . 47 LEU HB2 15083 15083 1 613 . 3 3 34 34 LEU HB3 H 1 1.53 0.03 . 2 . . . . 47 LEU HB3 15083 15083 1 614 . 3 3 34 34 LEU HG H 1 1.836 0.03 . 1 . . . . 47 LEU HG 15083 15083 1 615 . 3 3 34 34 LEU HD11 H 1 0.779 0.03 . 1 . . . . 47 LEU QD1 15083 15083 1 616 . 3 3 34 34 LEU HD12 H 1 0.779 0.03 . 1 . . . . 47 LEU QD1 15083 15083 1 617 . 3 3 34 34 LEU HD13 H 1 0.779 0.03 . 1 . . . . 47 LEU QD1 15083 15083 1 618 . 3 3 34 34 LEU HD21 H 1 0.74 0.03 . 1 . . . . 47 LEU QD2 15083 15083 1 619 . 3 3 34 34 LEU HD22 H 1 0.74 0.03 . 1 . . . . 47 LEU QD2 15083 15083 1 620 . 3 3 34 34 LEU HD23 H 1 0.74 0.03 . 1 . . . . 47 LEU QD2 15083 15083 1 621 . 3 3 34 34 LEU CA C 13 58.332 0.3 . 1 . . . . 47 LEU CA 15083 15083 1 622 . 3 3 34 34 LEU CB C 13 40.769 0.3 . 1 . . . . 47 LEU CB 15083 15083 1 623 . 3 3 34 34 LEU CG C 13 27.38 0.3 . 1 . . . . 47 LEU CG 15083 15083 1 624 . 3 3 34 34 LEU CD1 C 13 24.777 0.3 . 1 . . . . 47 LEU CD1 15083 15083 1 625 . 3 3 34 34 LEU CD2 C 13 27.008 0.3 . 1 . . . . 47 LEU CD2 15083 15083 1 626 . 3 3 34 34 LEU N N 15 120.083 0.3 . 1 . . . . 47 LEU NN 15083 15083 1 627 . 3 3 35 35 LYS H H 1 8.348 0.03 . 1 . . . . 48 LYS HN 15083 15083 1 628 . 3 3 35 35 LYS HA H 1 4.463 0.03 . 1 . . . . 48 LYS HA 15083 15083 1 629 . 3 3 35 35 LYS HB3 H 1 2.224 0.03 . 2 . . . . 48 LYS HB3 15083 15083 1 630 . 3 3 35 35 LYS HG2 H 1 1.549 0.03 . 2 . . . . 48 LYS HG2 15083 15083 1 631 . 3 3 35 35 LYS HG3 H 1 1.654 0.03 . 2 . . . . 48 LYS HG3 15083 15083 1 632 . 3 3 35 35 LYS HD2 H 1 1.831 0.03 . 2 . . . . 48 LYS HD2 15083 15083 1 633 . 3 3 35 35 LYS HD3 H 1 1.881 0.03 . 2 . . . . 48 LYS HD3 15083 15083 1 634 . 3 3 35 35 LYS HE3 H 1 3.13 0.03 . 2 . . . . 48 LYS HE3 15083 15083 1 635 . 3 3 35 35 LYS CA C 13 59.363 0.3 . 1 . . . . 48 LYS CA 15083 15083 1 636 . 3 3 35 35 LYS CB C 13 32.114 0.3 . 1 . . . . 48 LYS CB 15083 15083 1 637 . 3 3 35 35 LYS CG C 13 25.149 0.3 . 1 . . . . 48 LYS CG 15083 15083 1 638 . 3 3 35 35 LYS CD C 13 29.983 0.3 . 1 . . . . 48 LYS CD 15083 15083 1 639 . 3 3 35 35 LYS N N 15 121.289 0.3 . 1 . . . . 48 LYS NN 15083 15083 1 640 . 3 3 36 36 GLU H H 1 7.974 0.03 . 1 . . . . 49 GLU HN 15083 15083 1 641 . 3 3 36 36 GLU HA H 1 4.173 0.03 . 1 . . . . 49 GLU HA 15083 15083 1 642 . 3 3 36 36 GLU HB3 H 1 2.3 0.03 . 2 . . . . 49 GLU HB3 15083 15083 1 643 . 3 3 36 36 GLU HG2 H 1 2.435 0.03 . 2 . . . . 49 GLU HG2 15083 15083 1 644 . 3 3 36 36 GLU HG3 H 1 2.569 0.03 . 2 . . . . 49 GLU HG3 15083 15083 1 645 . 3 3 36 36 GLU CB C 13 29.611 0.3 . 1 . . . . 49 GLU CB 15083 15083 1 646 . 3 3 36 36 GLU CG C 13 36.492 0.3 . 1 . . . . 49 GLU CG 15083 15083 1 647 . 3 3 36 36 GLU N N 15 122.17 0.3 . 1 . . . . 49 GLU NN 15083 15083 1 648 . 3 3 37 37 LYS H H 1 7.718 0.03 . 1 . . . . 50 LYS HN 15083 15083 1 649 . 3 3 37 37 LYS HA H 1 4.318 0.03 . 1 . . . . 50 LYS HA 15083 15083 1 650 . 3 3 37 37 LYS HB2 H 1 2.176 0.03 . 2 . . . . 50 LYS HB2 15083 15083 1 651 . 3 3 37 37 LYS HB3 H 1 2.275 0.03 . 2 . . . . 50 LYS HB3 15083 15083 1 652 . 3 3 37 37 LYS HG2 H 1 1.802 0.03 . 2 . . . . 50 LYS HG2 15083 15083 1 653 . 3 3 37 37 LYS HG3 H 1 1.7 0.03 . 2 . . . . 50 LYS HG3 15083 15083 1 654 . 3 3 37 37 LYS HE2 H 1 2.98 0.03 . 2 . . . . 50 LYS HE2 15083 15083 1 655 . 3 3 37 37 LYS HE3 H 1 3.121 0.03 . 2 . . . . 50 LYS HE3 15083 15083 1 656 . 3 3 37 37 LYS CA C 13 56.76 0.3 . 1 . . . . 50 LYS CA 15083 15083 1 657 . 3 3 37 37 LYS CB C 13 33.606 0.3 . 1 . . . . 50 LYS CB 15083 15083 1 658 . 3 3 37 37 LYS CG C 13 25.892 0.3 . 1 . . . . 50 LYS CG 15083 15083 1 659 . 3 3 37 37 LYS CD C 13 30.355 0.3 . 1 . . . . 50 LYS CD 15083 15083 1 660 . 3 3 37 37 LYS CE C 13 41.884 0.3 . 1 . . . . 50 LYS CE 15083 15083 1 661 . 3 3 37 37 LYS N N 15 117.345 0.3 . 1 . . . . 50 LYS NN 15083 15083 1 662 . 3 3 38 38 GLY H H 1 7.773 0.03 . 1 . . . . 51 GLY HN 15083 15083 1 663 . 3 3 38 38 GLY HA2 H 1 4.058 0.03 . 2 . . . . 51 GLY HA1 15083 15083 1 664 . 3 3 38 38 GLY HA3 H 1 3.616 0.03 . 2 . . . . 51 GLY HA2 15083 15083 1 665 . 3 3 38 38 GLY CA C 13 44.86 0.3 . 1 . . . . 51 GLY CA 15083 15083 1 666 . 3 3 38 38 GLY N N 15 105.406 0.3 . 1 . . . . 51 GLY NN 15083 15083 1 667 . 3 3 39 39 PHE H H 1 8.218 0.03 . 1 . . . . 52 PHE HN 15083 15083 1 668 . 3 3 39 39 PHE HA H 1 4.921 0.03 . 1 . . . . 52 PHE HA 15083 15083 1 669 . 3 3 39 39 PHE HB2 H 1 2.665 0.03 . 2 . . . . 52 PHE HB2 15083 15083 1 670 . 3 3 39 39 PHE HB3 H 1 2.969 0.03 . 2 . . . . 52 PHE HB3 15083 15083 1 671 . 3 3 39 39 PHE HD1 H 1 7.161 0.03 . 1 . . . . 52 PHE QD 15083 15083 1 672 . 3 3 39 39 PHE HD2 H 1 7.161 0.03 . 1 . . . . 52 PHE QD 15083 15083 1 673 . 3 3 39 39 PHE HE1 H 1 7.28 0.03 . 1 . . . . 52 PHE QE 15083 15083 1 674 . 3 3 39 39 PHE HE2 H 1 7.28 0.03 . 1 . . . . 52 PHE QE 15083 15083 1 675 . 3 3 39 39 PHE CA C 13 4.917 0.3 . 1 . . . . 52 PHE CA 15083 15083 1 676 . 3 3 39 39 PHE CB C 13 41.14 0.3 . 1 . . . . 52 PHE CB 15083 15083 1 677 . 3 3 39 39 PHE N N 15 120.977 0.3 . 1 . . . . 52 PHE NN 15083 15083 1 678 . 3 3 40 40 LYS H H 1 8.672 0.03 . 1 . . . . 53 LYS HN 15083 15083 1 679 . 3 3 40 40 LYS HA H 1 4.443 0.03 . 1 . . . . 53 LYS HA 15083 15083 1 680 . 3 3 40 40 LYS HB2 H 1 1.805 0.03 . 2 . . . . 53 LYS HB2 15083 15083 1 681 . 3 3 40 40 LYS HB3 H 1 1.972 0.03 . 2 . . . . 53 LYS HB3 15083 15083 1 682 . 3 3 40 40 LYS HG2 H 1 1.395 0.03 . 2 . . . . 53 LYS HG2 15083 15083 1 683 . 3 3 40 40 LYS HG3 H 1 1.482 0.03 . 2 . . . . 53 LYS HG3 15083 15083 1 684 . 3 3 40 40 LYS HD3 H 1 1.76 0.03 . 2 . . . . 53 LYS HD3 15083 15083 1 685 . 3 3 40 40 LYS HE3 H 1 3.104 0.03 . 2 . . . . 53 LYS HE3 15083 15083 1 686 . 3 3 40 40 LYS CA C 13 56.759 0.3 . 1 . . . . 53 LYS CA 15083 15083 1 687 . 3 3 40 40 LYS CB C 13 32.587 0.3 . 1 . . . . 53 LYS CB 15083 15083 1 688 . 3 3 40 40 LYS CG C 13 24.963 0.3 . 1 . . . . 53 LYS CG 15083 15083 1 689 . 3 3 40 40 LYS CD C 13 53.041 0.3 . 1 . . . . 53 LYS CD 15083 15083 1 690 . 3 3 40 40 LYS CE C 13 42.256 0.3 . 1 . . . . 53 LYS CE 15083 15083 1 691 . 3 3 40 40 LYS N N 15 124.983 0.3 . 1 . . . . 53 LYS NN 15083 15083 1 692 . 3 3 41 41 VAL H H 1 8.289 0.03 . 1 . . . . 54 VAL HN 15083 15083 1 693 . 3 3 41 41 VAL HA H 1 4.425 0.03 . 1 . . . . 54 VAL HA 15083 15083 1 694 . 3 3 41 41 VAL HB H 1 2.028 0.03 . 1 . . . . 54 VAL HB 15083 15083 1 695 . 3 3 41 41 VAL HG11 H 1 0.946 0.03 . 1 . . . . 54 VAL QG1 15083 15083 1 696 . 3 3 41 41 VAL HG12 H 1 0.946 0.03 . 1 . . . . 54 VAL QG1 15083 15083 1 697 . 3 3 41 41 VAL HG13 H 1 0.946 0.03 . 1 . . . . 54 VAL QG1 15083 15083 1 698 . 3 3 41 41 VAL HG21 H 1 0.95 0.03 . 1 . . . . 54 VAL QG2 15083 15083 1 699 . 3 3 41 41 VAL HG22 H 1 0.95 0.03 . 1 . . . . 54 VAL QG2 15083 15083 1 700 . 3 3 41 41 VAL HG23 H 1 0.95 0.03 . 1 . . . . 54 VAL QG2 15083 15083 1 701 . 3 3 41 41 VAL CA C 13 60.479 0.3 . 1 . . . . 54 VAL CA 15083 15083 1 702 . 3 3 41 41 VAL CB C 13 34.818 0.3 . 1 . . . . 54 VAL CB 15083 15083 1 703 . 3 3 41 41 VAL CG1 C 13 21.801 0.3 . 1 . . . . 54 VAL CG1 15083 15083 1 704 . 3 3 41 41 VAL CG2 C 13 21.794 0.3 . 1 . . . . 54 VAL CG2 15083 15083 1 705 . 3 3 41 41 VAL N N 15 126.916 0.3 . 1 . . . . 54 VAL NN 15083 15083 1 706 . 3 3 42 42 ALA H H 1 8.649 0.03 . 1 . . . . 55 ALA HN 15083 15083 1 707 . 3 3 42 42 ALA HA H 1 4.668 0.03 . 1 . . . . 55 ALA HA 15083 15083 1 708 . 3 3 42 42 ALA HB1 H 1 1.895 0.03 . 1 . . . . 55 ALA QB 15083 15083 1 709 . 3 3 42 42 ALA HB2 H 1 1.895 0.03 . 1 . . . . 55 ALA QB 15083 15083 1 710 . 3 3 42 42 ALA HB3 H 1 1.895 0.03 . 1 . . . . 55 ALA QB 15083 15083 1 711 . 3 3 42 42 ALA CA C 13 51.926 0.3 . 1 . . . . 55 ALA CA 15083 15083 1 712 . 3 3 42 42 ALA CB C 13 44.86 0.3 . 1 . . . . 55 ALA CB 15083 15083 1 713 . 3 3 42 42 ALA N N 15 128.367 0.3 . 1 . . . . 55 ALA NN 15083 15083 1 714 . 3 3 43 43 ARG H H 1 9.186 0.03 . 1 . . . . 56 ARG HN 15083 15083 1 715 . 3 3 43 43 ARG HA H 1 3.765 0.03 . 1 . . . . 56 ARG HA 15083 15083 1 716 . 3 3 43 43 ARG HB2 H 1 2.02 0.03 . 2 . . . . 56 ARG HB2 15083 15083 1 717 . 3 3 43 43 ARG HB3 H 1 2.294 0.03 . 2 . . . . 56 ARG HB3 15083 15083 1 718 . 3 3 43 43 ARG HG2 H 1 1.602 0.03 . 2 . . . . 56 ARG HG2 15083 15083 1 719 . 3 3 43 43 ARG HG3 H 1 2.1 0.03 . 2 . . . . 56 ARG HG3 15083 15083 1 720 . 3 3 43 43 ARG HD2 H 1 3.310 0.03 . 2 . . . . 56 ARG HD2 15083 15083 1 721 . 3 3 43 43 ARG HD3 H 1 3.691 0.03 . 2 . . . . 56 ARG HD3 15083 15083 1 722 . 3 3 43 43 ARG CA C 13 14.363 0.3 . 1 . . . . 56 ARG CA 15083 15083 1 723 . 3 3 43 43 ARG CB C 13 28.124 0.3 . 1 . . . . 56 ARG CB 15083 15083 1 724 . 3 3 43 43 ARG CG C 13 26.264 0.3 . 1 . . . . 56 ARG CG 15083 15083 1 725 . 3 3 43 43 ARG CD C 13 41.512 0.3 . 1 . . . . 56 ARG CD 15083 15083 1 726 . 3 3 43 43 ARG N N 15 124.017 0.3 . 1 . . . . 56 ARG NN 15083 15083 1 727 . 3 3 44 44 ARG H H 1 9.088 0.03 . 1 . . . . 57 ARG HN 15083 15083 1 728 . 3 3 44 44 ARG HA H 1 4.067 0.03 . 1 . . . . 57 ARG HA 15083 15083 1 729 . 3 3 44 44 ARG HB2 H 1 1.496 0.03 . 2 . . . . 57 ARG HB2 15083 15083 1 730 . 3 3 44 44 ARG HB3 H 1 2.046 0.03 . 2 . . . . 57 ARG HB3 15083 15083 1 731 . 3 3 44 44 ARG HG2 H 1 2.673 0.03 . 2 . . . . 57 ARG HG2 15083 15083 1 732 . 3 3 44 44 ARG HG3 H 1 0.969 0.03 . 2 . . . . 57 ARG HG3 15083 15083 1 733 . 3 3 44 44 ARG HD2 H 1 2.556 0.03 . 2 . . . . 57 ARG HD2 15083 15083 1 734 . 3 3 44 44 ARG HD3 H 1 3.046 0.03 . 2 . . . . 57 ARG HD3 15083 15083 1 735 . 3 3 44 44 ARG CA C 13 56.76 0.3 . 1 . . . . 57 ARG CA 15083 15083 1 736 . 3 3 44 44 ARG CB C 13 30.355 0.3 . 1 . . . . 57 ARG CB 15083 15083 1 737 . 3 3 44 44 ARG CG C 13 25.149 0.3 . 1 . . . . 57 ARG CG 15083 15083 1 738 . 3 3 44 44 ARG CD C 13 42.628 0.3 . 1 . . . . 57 ARG CD 15083 15083 1 739 . 3 3 44 44 ARG N N 15 117.858 0.3 . 1 . . . . 57 ARG NN 15083 15083 1 740 . 3 3 45 45 THR H H 1 7.292 0.03 . 1 . . . . 58 THR HN 15083 15083 1 741 . 3 3 45 45 THR HA H 1 3.962 0.03 . 1 . . . . 58 THR HA 15083 15083 1 742 . 3 3 45 45 THR HB H 1 4.551 0.03 . 1 . . . . 58 THR HB 15083 15083 1 743 . 3 3 45 45 THR HG21 H 1 1.274 0.03 . 1 . . . . 58 THR QG2 15083 15083 1 744 . 3 3 45 45 THR HG22 H 1 1.274 0.03 . 1 . . . . 58 THR QG2 15083 15083 1 745 . 3 3 45 45 THR HG23 H 1 1.274 0.03 . 1 . . . . 58 THR QG2 15083 15083 1 746 . 3 3 45 45 THR CA C 13 64.941 0.3 . 1 . . . . 58 THR CA 15083 15083 1 747 . 3 3 45 45 THR CB C 13 66.801 0.3 . 1 . . . . 58 THR CB 15083 15083 1 748 . 3 3 45 45 THR CG2 C 13 24.386 0.3 . 1 . . . . 58 THR CG2 15083 15083 1 749 . 3 3 45 45 THR N N 15 117.842 0.3 . 1 . . . . 58 THR NN 15083 15083 1 750 . 3 3 46 46 VAL H H 1 8.059 0.03 . 1 . . . . 59 VAL HN 15083 15083 1 751 . 3 3 46 46 VAL HA H 1 3.433 0.03 . 1 . . . . 59 VAL HA 15083 15083 1 752 . 3 3 46 46 VAL HB H 1 2.566 0.03 . 1 . . . . 59 VAL HB 15083 15083 1 753 . 3 3 46 46 VAL HG11 H 1 1.108 0.03 . 1 . . . . 59 VAL QG1 15083 15083 1 754 . 3 3 46 46 VAL HG12 H 1 1.108 0.03 . 1 . . . . 59 VAL QG1 15083 15083 1 755 . 3 3 46 46 VAL HG13 H 1 1.108 0.03 . 1 . . . . 59 VAL QG1 15083 15083 1 756 . 3 3 46 46 VAL HG21 H 1 0.951 0.03 . 1 . . . . 59 VAL QG2 15083 15083 1 757 . 3 3 46 46 VAL HG22 H 1 0.951 0.03 . 1 . . . . 59 VAL QG2 15083 15083 1 758 . 3 3 46 46 VAL HG23 H 1 0.951 0.03 . 1 . . . . 59 VAL QG2 15083 15083 1 759 . 3 3 46 46 VAL CA C 13 67.918 0.3 . 1 . . . . 59 VAL CA 15083 15083 1 760 . 3 3 46 46 VAL CB C 13 31.471 0.3 . 1 . . . . 59 VAL CB 15083 15083 1 761 . 3 3 46 46 VAL CG1 C 13 22.173 0.3 . 1 . . . . 59 VAL CG1 15083 15083 1 762 . 3 3 46 46 VAL CG2 C 13 24.405 0.3 . 1 . . . . 59 VAL CG2 15083 15083 1 763 . 3 3 46 46 VAL N N 15 122.979 0.3 . 1 . . . . 59 VAL NN 15083 15083 1 764 . 3 3 47 47 ALA H H 1 7.939 0.03 . 1 . . . . 60 ALA HN 15083 15083 1 765 . 3 3 47 47 ALA HA H 1 4.185 0.03 . 1 . . . . 60 ALA HA 15083 15083 1 766 . 3 3 47 47 ALA HB1 H 1 1.737 0.03 . 1 . . . . 60 ALA QB 15083 15083 1 767 . 3 3 47 47 ALA HB2 H 1 1.737 0.03 . 1 . . . . 60 ALA QB 15083 15083 1 768 . 3 3 47 47 ALA HB3 H 1 1.737 0.03 . 1 . . . . 60 ALA QB 15083 15083 1 769 . 3 3 47 47 ALA CA C 13 55.973 0.3 . 1 . . . . 60 ALA CA 15083 15083 1 770 . 3 3 47 47 ALA CB C 13 18.454 0.3 . 1 . . . . 60 ALA CB 15083 15083 1 771 . 3 3 47 47 ALA N N 15 120.295 0.3 . 1 . . . . 60 ALA NN 15083 15083 1 772 . 3 3 48 48 LYS H H 1 7.47 0.03 . 1 . . . . 61 LYS HN 15083 15083 1 773 . 3 3 48 48 LYS HA H 1 4.328 0.03 . 1 . . . . 61 LYS HA 15083 15083 1 774 . 3 3 48 48 LYS HB2 H 1 1.855 0.03 . 2 . . . . 61 LYS HB2 15083 15083 1 775 . 3 3 48 48 LYS HB3 H 1 2.216 0.03 . 2 . . . . 61 LYS HB3 15083 15083 1 776 . 3 3 48 48 LYS HG2 H 1 0.996 0.03 . 2 . . . . 61 LYS HG2 15083 15083 1 777 . 3 3 48 48 LYS HG3 H 1 1.541 0.03 . 2 . . . . 61 LYS HG3 15083 15083 1 778 . 3 3 48 48 LYS HD2 H 1 1.635 0.03 . 2 . . . . 61 LYS HD2 15083 15083 1 779 . 3 3 48 48 LYS HD3 H 1 1.873 0.03 . 2 . . . . 61 LYS HD3 15083 15083 1 780 . 3 3 48 48 LYS HE2 H 1 2.797 0.03 . 2 . . . . 61 LYS HE2 15083 15083 1 781 . 3 3 48 48 LYS HE3 H 1 2.984 0.03 . 2 . . . . 61 LYS HE3 15083 15083 1 782 . 3 3 48 48 LYS CA C 13 58.991 0.3 . 1 . . . . 61 LYS CA 15083 15083 1 783 . 3 3 48 48 LYS CB C 13 32.587 0.3 . 1 . . . . 61 LYS CB 15083 15083 1 784 . 3 3 48 48 LYS CG C 13 25.892 0.3 . 1 . . . . 61 LYS CG 15083 15083 1 785 . 3 3 48 48 LYS CD C 13 30.727 0.3 . 1 . . . . 61 LYS CD 15083 15083 1 786 . 3 3 48 48 LYS CE C 13 43 0.3 . 1 . . . . 61 LYS CE 15083 15083 1 787 . 3 3 48 48 LYS N N 15 118.18 0.3 . 1 . . . . 61 LYS NN 15083 15083 1 788 . 3 3 49 49 TYR H H 1 8.609 0.03 . 1 . . . . 62 TYR HN 15083 15083 1 789 . 3 3 49 49 TYR HA H 1 4.417 0.03 . 1 . . . . 62 TYR HA 15083 15083 1 790 . 3 3 49 49 TYR HB2 H 1 2.83 0.03 . 2 . . . . 62 TYR HB2 15083 15083 1 791 . 3 3 49 49 TYR HB3 H 1 3.052 0.03 . 2 . . . . 62 TYR HB3 15083 15083 1 792 . 3 3 49 49 TYR HD1 H 1 7.154 0.03 . 1 . . . . 62 TYR QD 15083 15083 1 793 . 3 3 49 49 TYR HD2 H 1 7.154 0.03 . 1 . . . . 62 TYR QD 15083 15083 1 794 . 3 3 49 49 TYR HE1 H 1 6.968 0.03 . 1 . . . . 62 TYR QE 15083 15083 1 795 . 3 3 49 49 TYR HE2 H 1 6.968 0.03 . 1 . . . . 62 TYR QE 15083 15083 1 796 . 3 3 49 49 TYR CA C 13 61.222 0.3 . 1 . . . . 62 TYR CA 15083 15083 1 797 . 3 3 49 49 TYR CB C 13 38.165 0.3 . 1 . . . . 62 TYR CB 15083 15083 1 798 . 3 3 49 49 TYR N N 15 120.425 0.3 . 1 . . . . 62 TYR NN 15083 15083 1 799 . 3 3 50 50 ARG H H 1 9.391 0.03 . 1 . . . . 63 ARG HN 15083 15083 1 800 . 3 3 50 50 ARG HA H 1 3.989 0.03 . 1 . . . . 63 ARG HA 15083 15083 1 801 . 3 3 50 50 ARG HB2 H 1 1.966 0.03 . 2 . . . . 63 ARG HB2 15083 15083 1 802 . 3 3 50 50 ARG HB3 H 1 1.975 0.03 . 2 . . . . 63 ARG HB3 15083 15083 1 803 . 3 3 50 50 ARG HG2 H 1 1.538 0.03 . 2 . . . . 63 ARG HG2 15083 15083 1 804 . 3 3 50 50 ARG HG3 H 1 2.365 0.03 . 2 . . . . 63 ARG HG3 15083 15083 1 805 . 3 3 50 50 ARG HD2 H 1 2.904 0.03 . 2 . . . . 63 ARG HD2 15083 15083 1 806 . 3 3 50 50 ARG HD3 H 1 3.18 0.03 . 2 . . . . 63 ARG HD3 15083 15083 1 807 . 3 3 50 50 ARG CA C 13 61.594 0.3 . 1 . . . . 63 ARG CA 15083 15083 1 808 . 3 3 50 50 ARG CB C 13 53.577 0.3 . 1 . . . . 63 ARG CB 15083 15083 1 809 . 3 3 50 50 ARG CG C 13 29.983 0.3 . 1 . . . . 63 ARG CG 15083 15083 1 810 . 3 3 50 50 ARG CD C 13 41.512 0.3 . 1 . . . . 63 ARG CD 15083 15083 1 811 . 3 3 50 50 ARG N N 15 120.551 0.3 . 1 . . . . 63 ARG NN 15083 15083 1 812 . 3 3 51 51 GLU H H 1 7.903 0.03 . 1 . . . . 64 GLU HN 15083 15083 1 813 . 3 3 51 51 GLU HA H 1 4.279 0.03 . 1 . . . . 64 GLU HA 15083 15083 1 814 . 3 3 51 51 GLU HB3 H 1 2.396 0.03 . 2 . . . . 64 GLU HB3 15083 15083 1 815 . 3 3 51 51 GLU HG2 H 1 2.484 0.03 . 2 . . . . 64 GLU HG2 15083 15083 1 816 . 3 3 51 51 GLU HG3 H 1 2.583 0.03 . 2 . . . . 64 GLU HG3 15083 15083 1 817 . 3 3 51 51 GLU CB C 13 28.868 0.3 . 1 . . . . 64 GLU CB 15083 15083 1 818 . 3 3 51 51 GLU CG C 13 35.562 0.3 . 1 . . . . 64 GLU CG 15083 15083 1 819 . 3 3 51 51 GLU N N 15 119.183 0.3 . 1 . . . . 64 GLU NN 15083 15083 1 820 . 3 3 52 52 MET H H 1 8.136 0.03 . 1 . . . . 65 MET HN 15083 15083 1 821 . 3 3 52 52 MET HA H 1 4.168 0.03 . 1 . . . . 65 MET HA 15083 15083 1 822 . 3 3 52 52 MET HB2 H 1 2.306 0.03 . 2 . . . . 65 MET HB2 15083 15083 1 823 . 3 3 52 52 MET HB3 H 1 2.383 0.03 . 2 . . . . 65 MET HB3 15083 15083 1 824 . 3 3 52 52 MET HG2 H 1 2.659 0.03 . 2 . . . . 65 MET HG2 15083 15083 1 825 . 3 3 52 52 MET HG3 H 1 2.818 0.03 . 2 . . . . 65 MET HG3 15083 15083 1 826 . 3 3 52 52 MET CB C 13 33.702 0.3 . 1 . . . . 65 MET CB 15083 15083 1 827 . 3 3 52 52 MET CG C 13 55.272 0.3 . 1 . . . . 65 MET CG 15083 15083 1 828 . 3 3 52 52 MET N N 15 120.857 0.3 . 1 . . . . 65 MET NN 15083 15083 1 829 . 3 3 53 53 LEU H H 1 7.894 0.03 . 1 . . . . 66 LEU HN 15083 15083 1 830 . 3 3 53 53 LEU HA H 1 4.332 0.03 . 1 . . . . 66 LEU HA 15083 15083 1 831 . 3 3 53 53 LEU HB2 H 1 1.706 0.03 . 2 . . . . 66 LEU HB2 15083 15083 1 832 . 3 3 53 53 LEU HB3 H 1 2.188 0.03 . 2 . . . . 66 LEU HB3 15083 15083 1 833 . 3 3 53 53 LEU HG H 1 1.993 0.03 . 1 . . . . 66 LEU HG 15083 15083 1 834 . 3 3 53 53 LEU HD11 H 1 1.085 0.03 . 1 . . . . 66 LEU QD1 15083 15083 1 835 . 3 3 53 53 LEU HD12 H 1 1.085 0.03 . 1 . . . . 66 LEU QD1 15083 15083 1 836 . 3 3 53 53 LEU HD13 H 1 1.085 0.03 . 1 . . . . 66 LEU QD1 15083 15083 1 837 . 3 3 53 53 LEU HD21 H 1 1.065 0.03 . 1 . . . . 66 LEU QD2 15083 15083 1 838 . 3 3 53 53 LEU HD22 H 1 1.065 0.03 . 1 . . . . 66 LEU QD2 15083 15083 1 839 . 3 3 53 53 LEU HD23 H 1 1.065 0.03 . 1 . . . . 66 LEU QD2 15083 15083 1 840 . 3 3 53 53 LEU CA C 13 55.272 0.3 . 1 . . . . 66 LEU CA 15083 15083 1 841 . 3 3 53 53 LEU CB C 13 44.86 0.3 . 1 . . . . 66 LEU CB 15083 15083 1 842 . 3 3 53 53 LEU CG C 13 27.752 0.3 . 1 . . . . 66 LEU CG 15083 15083 1 843 . 3 3 53 53 LEU CD1 C 13 24.033 0.3 . 1 . . . . 66 LEU CD1 15083 15083 1 844 . 3 3 53 53 LEU CD2 C 13 26.636 0.3 . 1 . . . . 66 LEU CD2 15083 15083 1 845 . 3 3 53 53 LEU N N 15 118.328 0.3 . 1 . . . . 66 LEU NN 15083 15083 1 846 . 3 3 54 54 GLY H H 1 8.156 0.03 . 1 . . . . 67 GLY HN 15083 15083 1 847 . 3 3 54 54 GLY HA2 H 1 4.136 0.03 . 2 . . . . 67 GLY HA1 15083 15083 1 848 . 3 3 54 54 GLY HA3 H 1 3.97 0.03 . 2 . . . . 67 GLY HA2 15083 15083 1 849 . 3 3 54 54 GLY CA C 13 46.347 0.3 . 1 . . . . 67 GLY CA 15083 15083 1 850 . 3 3 54 54 GLY N N 15 109.803 0.3 . 1 . . . . 67 GLY NN 15083 15083 1 851 . 3 3 55 55 ILE H H 1 7.805 0.03 . 1 . . . . 68 ILE HN 15083 15083 1 852 . 3 3 55 55 ILE HA H 1 4.549 0.03 . 1 . . . . 68 ILE HA 15083 15083 1 853 . 3 3 55 55 ILE HB H 1 1.725 0.03 . 1 . . . . 68 ILE HB 15083 15083 1 854 . 3 3 55 55 ILE HG12 H 1 1.158 0.03 . 1 . . . . 68 ILE HG12 15083 15083 1 855 . 3 3 55 55 ILE HG13 H 1 1.686 0.03 . 1 . . . . 68 ILE HG13 15083 15083 1 856 . 3 3 55 55 ILE HG21 H 1 1.239 0.03 . 1 . . . . 68 ILE QG2 15083 15083 1 857 . 3 3 55 55 ILE HG22 H 1 1.239 0.03 . 1 . . . . 68 ILE QG2 15083 15083 1 858 . 3 3 55 55 ILE HG23 H 1 1.239 0.03 . 1 . . . . 68 ILE QG2 15083 15083 1 859 . 3 3 55 55 ILE HD11 H 1 0.946 0.03 . 1 . . . . 68 ILE QD1 15083 15083 1 860 . 3 3 55 55 ILE HD12 H 1 0.946 0.03 . 1 . . . . 68 ILE QD1 15083 15083 1 861 . 3 3 55 55 ILE HD13 H 1 0.946 0.03 . 1 . . . . 68 ILE QD1 15083 15083 1 862 . 3 3 55 55 ILE CA C 13 35.19 0.3 . 1 . . . . 68 ILE CA 15083 15083 1 863 . 3 3 55 55 ILE CB C 13 40.397 0.3 . 1 . . . . 68 ILE CB 15083 15083 1 864 . 3 3 55 55 ILE CG1 C 13 28.124 0.3 . 1 . . . . 68 ILE CG 15083 15083 1 865 . 3 3 55 55 ILE CG2 C 13 17.764 0.3 . 1 . . . . 68 ILE CG2 15083 15083 1 866 . 3 3 55 55 ILE CD1 C 13 14.735 0.3 . 1 . . . . 68 ILE CD1 15083 15083 1 867 . 3 3 55 55 ILE N N 15 122.668 0.3 . 1 . . . . 68 ILE NN 15083 15083 1 868 . 3 3 56 56 PRO HA H 1 4.701 0.03 . 1 . . . . 69 PRO HA 15083 15083 1 869 . 3 3 56 56 PRO HB2 H 1 1.989 0.03 . 2 . . . . 69 PRO HB2 15083 15083 1 870 . 3 3 56 56 PRO HB3 H 1 2.521 0.03 . 2 . . . . 69 PRO HB3 15083 15083 1 871 . 3 3 56 56 PRO HG3 H 1 2.089 0.03 . 2 . . . . 69 PRO HG3 15083 15083 1 872 . 3 3 56 56 PRO HD2 H 1 3.583 0.03 . 2 . . . . 69 PRO HD2 15083 15083 1 873 . 3 3 56 56 PRO HD3 H 1 4.238 0.03 . 2 . . . . 69 PRO HD3 15083 15083 1 874 . 3 3 56 56 PRO CA C 13 62.216 0.3 . 1 . . . . 69 PRO CA 15083 15083 1 875 . 3 3 56 56 PRO CB C 13 32.959 0.3 . 1 . . . . 69 PRO CB 15083 15083 1 876 . 3 3 56 56 PRO CG C 13 27.752 0.3 . 1 . . . . 69 PRO CG 15083 15083 1 877 . 3 3 56 56 PRO CD C 13 51.554 0.3 . 1 . . . . 69 PRO CD 15083 15083 1 878 . 3 3 57 57 SER H H 1 8.62 0.03 . 1 . . . . 70 SER HN 15083 15083 1 879 . 3 3 57 57 SER HA H 1 4.055 0.03 . 1 . . . . 70 SER HA 15083 15083 1 880 . 3 3 57 57 SER HB2 H 1 4.12 0.03 . 2 . . . . 70 SER HB2 15083 15083 1 881 . 3 3 57 57 SER HB3 H 1 4.681 0.03 . 2 . . . . 70 SER HB3 15083 15083 1 882 . 3 3 57 57 SER CA C 13 58.991 0.3 . 1 . . . . 70 SER CA 15083 15083 1 883 . 3 3 57 57 SER CB C 13 63.454 0.3 . 1 . . . . 70 SER CB 15083 15083 1 884 . 3 3 57 57 SER N N 15 115.961 0.3 . 1 . . . . 70 SER NN 15083 15083 1 885 . 3 3 58 58 SER H H 1 8.474 0.03 . 1 . . . . 71 SER HN 15083 15083 1 886 . 3 3 58 58 SER HA H 1 3.614 0.03 . 1 . . . . 71 SER HA 15083 15083 1 887 . 3 3 58 58 SER HB3 H 1 4.129 0.03 . 2 . . . . 71 SER HB3 15083 15083 1 888 . 3 3 58 58 SER CA C 13 63.082 0.3 . 1 . . . . 71 SER CA 15083 15083 1 889 . 3 3 58 58 SER CB C 13 61.966 0.3 . 1 . . . . 71 SER CB 15083 15083 1 890 . 3 3 58 58 SER N N 15 117.399 0.3 . 1 . . . . 71 SER NN 15083 15083 1 891 . 3 3 59 59 ARG H H 1 7.687 0.03 . 1 . . . . 72 ARG HN 15083 15083 1 892 . 3 3 59 59 ARG HA H 1 4.149 0.03 . 1 . . . . 72 ARG HA 15083 15083 1 893 . 3 3 59 59 ARG HB2 H 1 1.837 0.03 . 2 . . . . 72 ARG HB2 15083 15083 1 894 . 3 3 59 59 ARG HB3 H 1 1.969 0.03 . 2 . . . . 72 ARG HB3 15083 15083 1 895 . 3 3 59 59 ARG HG2 H 1 1.711 0.03 . 2 . . . . 72 ARG HG2 15083 15083 1 896 . 3 3 59 59 ARG HD3 H 1 3.31 0.03 . 2 . . . . 72 ARG HD3 15083 15083 1 897 . 3 3 59 59 ARG CA C 13 58.62 0.3 . 1 . . . . 72 ARG CA 15083 15083 1 898 . 3 3 59 59 ARG CB C 13 31.099 0.3 . 1 . . . . 72 ARG CB 15083 15083 1 899 . 3 3 59 59 ARG CG C 13 28.496 0.3 . 1 . . . . 72 ARG CG 15083 15083 1 900 . 3 3 59 59 ARG CD C 13 44.116 0.3 . 1 . . . . 72 ARG CD 15083 15083 1 901 . 3 3 59 59 ARG N N 15 119.423 0.3 . 1 . . . . 72 ARG NN 15083 15083 1 902 . 3 3 60 60 GLU H H 1 7.31 0.03 . 1 . . . . 73 GLU HN 15083 15083 1 903 . 3 3 60 60 GLU HA H 1 4.454 0.03 . 1 . . . . 73 GLU HA 15083 15083 1 904 . 3 3 60 60 GLU HB2 H 1 2.092 0.03 . 2 . . . . 73 GLU HB2 15083 15083 1 905 . 3 3 60 60 GLU HB3 H 1 2.247 0.03 . 2 . . . . 73 GLU HB3 15083 15083 1 906 . 3 3 60 60 GLU HG3 H 1 2.306 0.03 . 2 . . . . 73 GLU HG3 15083 15083 1 907 . 3 3 60 60 GLU CB C 13 31.471 0.3 . 1 . . . . 73 GLU CB 15083 15083 1 908 . 3 3 60 60 GLU CG C 13 37.05 0.3 . 1 . . . . 73 GLU CG 15083 15083 1 909 . 3 3 60 60 GLU N N 15 116.339 0.3 . 1 . . . . 73 GLU NN 15083 15083 1 910 . 3 3 61 61 ARG H H 1 7.658 0.03 . 1 . . . . 74 ARG HN 15083 15083 1 911 . 3 3 61 61 ARG HA H 1 4.443 0.03 . 1 . . . . 74 ARG HA 15083 15083 1 912 . 3 3 61 61 ARG HB2 H 1 1.667 0.03 . 2 . . . . 74 ARG HB2 15083 15083 1 913 . 3 3 61 61 ARG HB3 H 1 1.771 0.03 . 2 . . . . 74 ARG HB3 15083 15083 1 914 . 3 3 61 61 ARG HG3 H 1 1.323 0.03 . 2 . . . . 74 ARG HG3 15083 15083 1 915 . 3 3 61 61 ARG HD2 H 1 2.987 0.03 . 2 . . . . 74 ARG HD2 15083 15083 1 916 . 3 3 61 61 ARG HD3 H 1 3.358 0.03 . 2 . . . . 74 ARG HD3 15083 15083 1 917 . 3 3 61 61 ARG CA C 13 56.76 0.3 . 1 . . . . 74 ARG CA 15083 15083 1 918 . 3 3 61 61 ARG CB C 13 31.443 0.3 . 1 . . . . 74 ARG CB 15083 15083 1 919 . 3 3 61 61 ARG CD C 13 42.628 0.3 . 1 . . . . 74 ARG CD 15083 15083 1 920 . 3 3 61 61 ARG N N 15 116.919 0.3 . 1 . . . . 74 ARG NN 15083 15083 1 921 . 3 3 62 62 ARG H H 1 6.74 0.03 . 1 . . . . 75 ARG HN 15083 15083 1 922 . 3 3 62 62 ARG HA H 1 4.49 0.03 . 1 . . . . 75 ARG HA 15083 15083 1 923 . 3 3 62 62 ARG HB3 H 1 1.786 0.03 . 2 . . . . 75 ARG HB3 15083 15083 1 924 . 3 3 62 62 ARG HG2 H 1 1.68 0.03 . 2 . . . . 75 ARG HG2 15083 15083 1 925 . 3 3 62 62 ARG HG3 H 1 1.784 0.03 . 2 . . . . 75 ARG HG3 15083 15083 1 926 . 3 3 62 62 ARG HD3 H 1 3.3 0.03 . 2 . . . . 75 ARG HD3 15083 15083 1 927 . 3 3 62 62 ARG CA C 13 56.388 0.3 . 1 . . . . 75 ARG CA 15083 15083 1 928 . 3 3 62 62 ARG CB C 13 31.471 0.3 . 1 . . . . 75 ARG CB 15083 15083 1 929 . 3 3 62 62 ARG CG C 13 27.38 0.3 . 1 . . . . 75 ARG CG 15083 15083 1 930 . 3 3 62 62 ARG CD C 13 44.116 0.3 . 1 . . . . 75 ARG CD 15083 15083 1 931 . 3 3 62 62 ARG N N 15 118.464 0.3 . 1 . . . . 75 ARG NN 15083 15083 1 932 . 3 3 63 63 ILE H H 1 7.747 0.03 . 1 . . . . 76 ILE HN 15083 15083 1 933 . 3 3 63 63 ILE HA H 1 4.208 0.03 . 1 . . . . 76 ILE HA 15083 15083 1 934 . 3 3 63 63 ILE HB H 1 1.865 0.03 . 1 . . . . 76 ILE HB 15083 15083 1 935 . 3 3 63 63 ILE HG12 H 1 1.034 0.03 . 1 . . . . 76 ILE HG12 15083 15083 1 936 . 3 3 63 63 ILE HG13 H 1 1.426 0.03 . 1 . . . . 76 ILE HG13 15083 15083 1 937 . 3 3 63 63 ILE HG21 H 1 0.958 0.03 . 1 . . . . 76 ILE QG2 15083 15083 1 938 . 3 3 63 63 ILE HG22 H 1 0.958 0.03 . 1 . . . . 76 ILE QG2 15083 15083 1 939 . 3 3 63 63 ILE HG23 H 1 0.958 0.03 . 1 . . . . 76 ILE QG2 15083 15083 1 940 . 3 3 63 63 ILE HD11 H 1 0.91 0.03 . 1 . . . . 76 ILE QD1 15083 15083 1 941 . 3 3 63 63 ILE HD12 H 1 0.91 0.03 . 1 . . . . 76 ILE QD1 15083 15083 1 942 . 3 3 63 63 ILE HD13 H 1 0.91 0.03 . 1 . . . . 76 ILE QD1 15083 15083 1 943 . 3 3 63 63 ILE CA C 13 62.71 0.3 . 1 . . . . 76 ILE CA 15083 15083 1 944 . 3 3 63 63 ILE CB C 13 39.653 0.3 . 1 . . . . 76 ILE CB 15083 15083 1 945 . 3 3 63 63 ILE CG1 C 13 27.38 0.3 . 1 . . . . 76 ILE CG 15083 15083 1 946 . 3 3 63 63 ILE CG2 C 13 18.454 0.3 . 1 . . . . 76 ILE CG2 15083 15083 1 947 . 3 3 63 63 ILE CD1 C 13 14.363 0.3 . 1 . . . . 76 ILE CD1 15083 15083 1 948 . 3 3 63 63 ILE N N 15 129.466 0.3 . 1 . . . . 76 ILE NN 15083 15083 1 stop_ save_