data_16615 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16615 _Entry.Title ; Backbone assignment of E. coli HU protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-23 _Entry.Accession_date 2009-11-23 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rafal Augustyniak . . . 16615 2 Bertrand Castaing . . . 16615 3 Christian Damblon . . . 16615 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre de Biophysique Moleculaire, CNRS Orleans' . 16615 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16615 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 16615 '15N chemical shifts' 76 16615 '1H chemical shifts' 76 16615 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-11-23 original author . 16615 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 16615 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone NMR assignment of E. coli HU proteins.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Rafal Augustyniak . . . 16615 1 2 Bertrand Castaing . . . 16615 1 3 Christian Damblon . . . 16615 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16615 _Assembly.ID 1 _Assembly.Name HU-beta2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10 _Assembly.Enzyme_commission_number . _Assembly.Details 'Homodimeric HU-beta2 protein.' _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 'HU-beta2, chain 1' 1 $HU_beta2 A . yes native yes no . . . 16615 1 2 'HU-beta2, chain 2' 1 $HU_beta2 B . no native yes no . . . 16615 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-binding protein' 16615 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HU_beta2 _Entity.Sf_category entity _Entity.Sf_framecode HU_beta2 _Entity.Entry_ID 16615 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HU_beta2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKSQLIDKIAAGADISKAA AGRALDAIIASVTESLKEGD DVALVGFGTFAVKERAARTG RNPQTGKEITIAAAKVPSFR AGKALKDAVN ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'dimeric protein - 2x10kD' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25329 . HUB2 . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 2 no PDB 2O97 . "Crystal Structure Of E. Coli Hu Heterodimer" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 3 no PDB 4P3V . "Crystal Structure Of The E. Coli Hu Beta2 Protein" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 4 no DBJ BAA11644 . "HupB, beta-subunit of HU [Escherichia coli W3110]" . . . . . 60.00 54 100.00 100.00 3.29e-28 . . . . 16615 1 5 no DBJ BAB33917 . "DNA-binding protein HU-1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 6 no DBJ BAE76220 . "HU, DNA-binding transcriptional regulator, beta subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 7 no DBJ BAG75990 . "DNA-binding protein HU-beta [Escherichia coli SE11]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 8 no DBJ BAI23814 . "HU, DNA-binding transcriptional regulator, beta subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 9 no EMBL CAA30692 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 10 no EMBL CAA34539 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 11 no EMBL CAD08910 . "DNA-binding protein HU-beta [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 12 no EMBL CAP74974 . "DNA-binding protein HU-beta [Escherichia coli LF82]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 13 no EMBL CAQ30913 . "transcriptional dual regulator HU-beta, NS1 (HU-1), subunit of HU transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 14 no GB AAB40196 . "DNA-binding protein NS1 [Escherichia coli]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 15 no GB AAC73543 . "HU, DNA-binding transcriptional regulator, beta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 16 no GB AAG54790 . "DNA-binding protein HU-beta, NS1 (HU-1) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 17 no GB AAL19406 . "DNA-binding protein HU-beta, NS1 (HU-1) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 18 no GB AAN42041 . "DNA-binding protein HU-beta, NS1 (HU-1) [Shigella flexneri 2a str. 301]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 19 no PIR AF0558 . "DNA-binding protein HU-beta [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 20 no PRF 1410323A . "histone-like protein" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 21 no REF NP_308521 . "transcriptional regulator HU subunit beta [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 22 no REF NP_414974 . "HU, DNA-binding transcriptional regulator, beta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 23 no REF NP_455048 . "DNA-binding protein HU-beta [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 24 no REF NP_459447 . "transcriptional regulator HU subunit beta [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 25 no REF NP_706334 . "transcriptional regulator HU subunit beta [Shigella flexneri 2a str. 301]" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 26 no SP P0A1R8 . "RecName: Full=DNA-binding protein HU-beta; AltName: Full=HU-1; AltName: Full=NS1" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 27 no SP P0A1R9 . "RecName: Full=DNA-binding protein HU-beta; AltName: Full=HU-1; AltName: Full=NS1" . . . . . 100.00 90 98.89 100.00 6.45e-53 . . . . 16615 1 28 no SP P0ACF4 . "RecName: Full=DNA-binding protein HU-beta; AltName: Full=HU-1; AltName: Full=NS1" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 29 no SP P0ACF5 . "RecName: Full=DNA-binding protein HU-beta; AltName: Full=HU-1; AltName: Full=NS1" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 30 no SP P0ACF6 . "RecName: Full=DNA-binding protein HU-beta; AltName: Full=HU-1; AltName: Full=NS1" . . . . . 100.00 90 100.00 100.00 1.36e-53 . . . . 16615 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA-binding protein' 16615 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16615 1 2 . ASN . 16615 1 3 . LYS . 16615 1 4 . SER . 16615 1 5 . GLN . 16615 1 6 . LEU . 16615 1 7 . ILE . 16615 1 8 . ASP . 16615 1 9 . LYS . 16615 1 10 . ILE . 16615 1 11 . ALA . 16615 1 12 . ALA . 16615 1 13 . GLY . 16615 1 14 . ALA . 16615 1 15 . ASP . 16615 1 16 . ILE . 16615 1 17 . SER . 16615 1 18 . LYS . 16615 1 19 . ALA . 16615 1 20 . ALA . 16615 1 21 . ALA . 16615 1 22 . GLY . 16615 1 23 . ARG . 16615 1 24 . ALA . 16615 1 25 . LEU . 16615 1 26 . ASP . 16615 1 27 . ALA . 16615 1 28 . ILE . 16615 1 29 . ILE . 16615 1 30 . ALA . 16615 1 31 . SER . 16615 1 32 . VAL . 16615 1 33 . THR . 16615 1 34 . GLU . 16615 1 35 . SER . 16615 1 36 . LEU . 16615 1 37 . LYS . 16615 1 38 . GLU . 16615 1 39 . GLY . 16615 1 40 . ASP . 16615 1 41 . ASP . 16615 1 42 . VAL . 16615 1 43 . ALA . 16615 1 44 . LEU . 16615 1 45 . VAL . 16615 1 46 . GLY . 16615 1 47 . PHE . 16615 1 48 . GLY . 16615 1 49 . THR . 16615 1 50 . PHE . 16615 1 51 . ALA . 16615 1 52 . VAL . 16615 1 53 . LYS . 16615 1 54 . GLU . 16615 1 55 . ARG . 16615 1 56 . ALA . 16615 1 57 . ALA . 16615 1 58 . ARG . 16615 1 59 . THR . 16615 1 60 . GLY . 16615 1 61 . ARG . 16615 1 62 . ASN . 16615 1 63 . PRO . 16615 1 64 . GLN . 16615 1 65 . THR . 16615 1 66 . GLY . 16615 1 67 . LYS . 16615 1 68 . GLU . 16615 1 69 . ILE . 16615 1 70 . THR . 16615 1 71 . ILE . 16615 1 72 . ALA . 16615 1 73 . ALA . 16615 1 74 . ALA . 16615 1 75 . LYS . 16615 1 76 . VAL . 16615 1 77 . PRO . 16615 1 78 . SER . 16615 1 79 . PHE . 16615 1 80 . ARG . 16615 1 81 . ALA . 16615 1 82 . GLY . 16615 1 83 . LYS . 16615 1 84 . ALA . 16615 1 85 . LEU . 16615 1 86 . LYS . 16615 1 87 . ASP . 16615 1 88 . ALA . 16615 1 89 . VAL . 16615 1 90 . ASN . 16615 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16615 1 . ASN 2 2 16615 1 . LYS 3 3 16615 1 . SER 4 4 16615 1 . GLN 5 5 16615 1 . LEU 6 6 16615 1 . ILE 7 7 16615 1 . ASP 8 8 16615 1 . LYS 9 9 16615 1 . ILE 10 10 16615 1 . ALA 11 11 16615 1 . ALA 12 12 16615 1 . GLY 13 13 16615 1 . ALA 14 14 16615 1 . ASP 15 15 16615 1 . ILE 16 16 16615 1 . SER 17 17 16615 1 . LYS 18 18 16615 1 . ALA 19 19 16615 1 . ALA 20 20 16615 1 . ALA 21 21 16615 1 . GLY 22 22 16615 1 . ARG 23 23 16615 1 . ALA 24 24 16615 1 . LEU 25 25 16615 1 . ASP 26 26 16615 1 . ALA 27 27 16615 1 . ILE 28 28 16615 1 . ILE 29 29 16615 1 . ALA 30 30 16615 1 . SER 31 31 16615 1 . VAL 32 32 16615 1 . THR 33 33 16615 1 . GLU 34 34 16615 1 . SER 35 35 16615 1 . LEU 36 36 16615 1 . LYS 37 37 16615 1 . GLU 38 38 16615 1 . GLY 39 39 16615 1 . ASP 40 40 16615 1 . ASP 41 41 16615 1 . VAL 42 42 16615 1 . ALA 43 43 16615 1 . LEU 44 44 16615 1 . VAL 45 45 16615 1 . GLY 46 46 16615 1 . PHE 47 47 16615 1 . GLY 48 48 16615 1 . THR 49 49 16615 1 . PHE 50 50 16615 1 . ALA 51 51 16615 1 . VAL 52 52 16615 1 . LYS 53 53 16615 1 . GLU 54 54 16615 1 . ARG 55 55 16615 1 . ALA 56 56 16615 1 . ALA 57 57 16615 1 . ARG 58 58 16615 1 . THR 59 59 16615 1 . GLY 60 60 16615 1 . ARG 61 61 16615 1 . ASN 62 62 16615 1 . PRO 63 63 16615 1 . GLN 64 64 16615 1 . THR 65 65 16615 1 . GLY 66 66 16615 1 . LYS 67 67 16615 1 . GLU 68 68 16615 1 . ILE 69 69 16615 1 . THR 70 70 16615 1 . ILE 71 71 16615 1 . ALA 72 72 16615 1 . ALA 73 73 16615 1 . ALA 74 74 16615 1 . LYS 75 75 16615 1 . VAL 76 76 16615 1 . PRO 77 77 16615 1 . SER 78 78 16615 1 . PHE 79 79 16615 1 . ARG 80 80 16615 1 . ALA 81 81 16615 1 . GLY 82 82 16615 1 . LYS 83 83 16615 1 . ALA 84 84 16615 1 . LEU 85 85 16615 1 . LYS 86 86 16615 1 . ASP 87 87 16615 1 . ALA 88 88 16615 1 . VAL 89 89 16615 1 . ASN 90 90 16615 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16615 _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 $HU_beta2 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16615 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 16615 _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 $HU_beta2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pJES . . . . . . 16615 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16615 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HU beta2' '[U-99% 13C; U-99% 15N]' . . 1 $HU_beta2 . . 1.54 . . mM . . . . 16615 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16615 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16615 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16615 1 5 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 16615 1 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16615 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16615 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16615 _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 pH 6 . pH 16615 1 pressure 1 . atm 16615 1 temperature 288 . K 16615 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16615 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16615 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16615 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16615 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16615 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16615 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16615 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16615 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16615 3 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 16615 _Software.ID 4 _Software.Name ANALYSIS _Software.Version 2.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16615 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16615 4 'peak picking' 16615 4 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 16615 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16615 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16615 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16615 1 2 spectrometer_2 Bruker Avance . 800 . . . 16615 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 16615 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16615 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16615 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16615 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16615 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16615 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16615 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 16615 _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 na indirect 0.251449530 . . . . . . . . . 16615 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16615 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16615 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 16615 _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 1 '2D 1H-15N HSQC' . . . 16615 1 2 '3D HNCO' . . . 16615 1 3 '3D HNCA' . . . 16615 1 4 '3D HN(CO)CA' . . . 16615 1 5 '3D HNCACB' . . . 16615 1 6 '3D CBCA(CO)NH' . . . 16615 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.193 0.000 . 1 . . . . 1 Met C . 16615 1 2 . 1 1 1 1 MET CA C 13 55.348 0.000 . 1 . . . . 1 Met CA . 16615 1 3 . 1 1 2 2 ASN H H 1 8.669 0.005 . 1 . . . . 2 Asn H . 16615 1 4 . 1 1 2 2 ASN C C 13 175.451 0.000 . 1 . . . . 2 Asn C . 16615 1 5 . 1 1 2 2 ASN CA C 13 51.126 0.024 . 1 . . . . 2 Asn CA . 16615 1 6 . 1 1 2 2 ASN CB C 13 40.331 0.000 . 1 . . . . 2 Asn CB . 16615 1 7 . 1 1 2 2 ASN N N 15 125.639 0.015 . 1 . . . . 2 Asn N . 16615 1 8 . 1 1 3 3 LYS H H 1 8.558 0.008 . 1 . . . . 3 Lys H . 16615 1 9 . 1 1 3 3 LYS CA C 13 61.148 0.000 . 1 . . . . 3 Lys CA . 16615 1 10 . 1 1 3 3 LYS CB C 13 33.548 0.000 . 1 . . . . 3 Lys CB . 16615 1 11 . 1 1 3 3 LYS N N 15 118.426 0.177 . 1 . . . . 3 Lys N . 16615 1 12 . 1 1 6 6 LEU C C 13 178.600 0.000 . 1 . . . . 6 Leu C . 16615 1 13 . 1 1 6 6 LEU CA C 13 58.138 0.000 . 1 . . . . 6 Leu CA . 16615 1 14 . 1 1 7 7 ILE H H 1 8.602 0.001 . 1 . . . . 7 Ile H . 16615 1 15 . 1 1 7 7 ILE C C 13 177.426 0.000 . 1 . . . . 7 Ile C . 16615 1 16 . 1 1 7 7 ILE CA C 13 66.936 0.002 . 1 . . . . 7 Ile CA . 16615 1 17 . 1 1 7 7 ILE CB C 13 37.343 0.000 . 1 . . . . 7 Ile CB . 16615 1 18 . 1 1 7 7 ILE N N 15 121.076 0.098 . 1 . . . . 7 Ile N . 16615 1 19 . 1 1 8 8 ASP H H 1 7.520 0.002 . 1 . . . . 8 Asp H . 16615 1 20 . 1 1 8 8 ASP C C 13 179.913 0.000 . 1 . . . . 8 Asp C . 16615 1 21 . 1 1 8 8 ASP CA C 13 57.974 0.032 . 1 . . . . 8 Asp CA . 16615 1 22 . 1 1 8 8 ASP CB C 13 40.203 0.000 . 1 . . . . 8 Asp CB . 16615 1 23 . 1 1 8 8 ASP N N 15 119.186 0.021 . 1 . . . . 8 Asp N . 16615 1 24 . 1 1 9 9 LYS H H 1 7.710 0.003 . 1 . . . . 9 Lys H . 16615 1 25 . 1 1 9 9 LYS C C 13 180.608 0.000 . 1 . . . . 9 Lys C . 16615 1 26 . 1 1 9 9 LYS CA C 13 58.909 0.043 . 1 . . . . 9 Lys CA . 16615 1 27 . 1 1 9 9 LYS CB C 13 32.176 0.000 . 1 . . . . 9 Lys CB . 16615 1 28 . 1 1 9 9 LYS N N 15 120.408 0.087 . 1 . . . . 9 Lys N . 16615 1 29 . 1 1 10 10 ILE H H 1 8.773 0.004 . 1 . . . . 10 Ile H . 16615 1 30 . 1 1 10 10 ILE C C 13 176.866 0.000 . 1 . . . . 10 Ile C . 16615 1 31 . 1 1 10 10 ILE CA C 13 65.472 0.003 . 1 . . . . 10 Ile CA . 16615 1 32 . 1 1 10 10 ILE CB C 13 38.236 0.000 . 1 . . . . 10 Ile CB . 16615 1 33 . 1 1 10 10 ILE N N 15 122.335 0.054 . 1 . . . . 10 Ile N . 16615 1 34 . 1 1 11 11 ALA H H 1 8.486 0.003 . 1 . . . . 11 Ala H . 16615 1 35 . 1 1 11 11 ALA C C 13 179.681 0.000 . 1 . . . . 11 Ala C . 16615 1 36 . 1 1 11 11 ALA CA C 13 55.715 0.009 . 1 . . . . 11 Ala CA . 16615 1 37 . 1 1 11 11 ALA CB C 13 17.872 0.073 . 1 . . . . 11 Ala CB . 16615 1 38 . 1 1 11 11 ALA N N 15 122.339 0.097 . 1 . . . . 11 Ala N . 16615 1 39 . 1 1 12 12 ALA H H 1 7.533 0.003 . 1 . . . . 12 Ala H . 16615 1 40 . 1 1 12 12 ALA C C 13 180.640 0.000 . 1 . . . . 12 Ala C . 16615 1 41 . 1 1 12 12 ALA CA C 13 54.253 0.032 . 1 . . . . 12 Ala CA . 16615 1 42 . 1 1 12 12 ALA CB C 13 18.765 0.024 . 1 . . . . 12 Ala CB . 16615 1 43 . 1 1 12 12 ALA N N 15 116.262 0.104 . 1 . . . . 12 Ala N . 16615 1 44 . 1 1 13 13 GLY H H 1 8.266 0.002 . 1 . . . . 13 Gly H . 16615 1 45 . 1 1 13 13 GLY C C 13 174.603 0.000 . 1 . . . . 13 Gly C . 16615 1 46 . 1 1 13 13 GLY CA C 13 46.660 0.067 . 1 . . . . 13 Gly CA . 16615 1 47 . 1 1 13 13 GLY N N 15 105.403 0.098 . 1 . . . . 13 Gly N . 16615 1 48 . 1 1 14 14 ALA H H 1 8.485 0.002 . 1 . . . . 14 Ala H . 16615 1 49 . 1 1 14 14 ALA C C 13 175.487 0.000 . 1 . . . . 14 Ala C . 16615 1 50 . 1 1 14 14 ALA CA C 13 51.382 0.065 . 1 . . . . 14 Ala CA . 16615 1 51 . 1 1 14 14 ALA CB C 13 19.241 0.043 . 1 . . . . 14 Ala CB . 16615 1 52 . 1 1 14 14 ALA N N 15 119.765 0.109 . 1 . . . . 14 Ala N . 16615 1 53 . 1 1 15 15 ASP H H 1 7.727 0.003 . 1 . . . . 15 Asp H . 16615 1 54 . 1 1 15 15 ASP C C 13 174.730 0.000 . 1 . . . . 15 Asp C . 16615 1 55 . 1 1 15 15 ASP CA C 13 55.195 0.037 . 1 . . . . 15 Asp CA . 16615 1 56 . 1 1 15 15 ASP CB C 13 39.120 0.010 . 1 . . . . 15 Asp CB . 16615 1 57 . 1 1 15 15 ASP N N 15 119.424 0.121 . 1 . . . . 15 Asp N . 16615 1 58 . 1 1 16 16 ILE H H 1 7.878 0.002 . 1 . . . . 16 Ile H . 16615 1 59 . 1 1 16 16 ILE C C 13 174.620 0.000 . 1 . . . . 16 Ile C . 16615 1 60 . 1 1 16 16 ILE CA C 13 58.867 0.014 . 1 . . . . 16 Ile CA . 16615 1 61 . 1 1 16 16 ILE CB C 13 41.415 0.000 . 1 . . . . 16 Ile CB . 16615 1 62 . 1 1 16 16 ILE N N 15 110.146 0.104 . 1 . . . . 16 Ile N . 16615 1 63 . 1 1 17 17 SER H H 1 8.572 0.004 . 1 . . . . 17 Ser H . 16615 1 64 . 1 1 17 17 SER C C 13 174.740 0.000 . 1 . . . . 17 Ser C . 16615 1 65 . 1 1 17 17 SER CA C 13 57.535 0.024 . 1 . . . . 17 Ser CA . 16615 1 66 . 1 1 17 17 SER CB C 13 64.973 0.009 . 1 . . . . 17 Ser CB . 16615 1 67 . 1 1 17 17 SER N N 15 115.789 0.091 . 1 . . . . 17 Ser N . 16615 1 68 . 1 1 18 18 LYS H H 1 8.947 0.004 . 1 . . . . 18 Lys H . 16615 1 69 . 1 1 18 18 LYS C C 13 180.045 0.000 . 1 . . . . 18 Lys C . 16615 1 70 . 1 1 18 18 LYS CA C 13 60.761 0.000 . 1 . . . . 18 Lys CA . 16615 1 71 . 1 1 18 18 LYS CB C 13 31.787 0.000 . 1 . . . . 18 Lys CB . 16615 1 72 . 1 1 18 18 LYS N N 15 120.477 0.097 . 1 . . . . 18 Lys N . 16615 1 73 . 1 1 19 19 ALA H H 1 8.571 0.006 . 1 . . . . 19 Ala H . 16615 1 74 . 1 1 19 19 ALA C C 13 177.447 0.000 . 1 . . . . 19 Ala C . 16615 1 75 . 1 1 19 19 ALA CA C 13 55.120 0.032 . 1 . . . . 19 Ala CA . 16615 1 76 . 1 1 19 19 ALA CB C 13 18.151 0.000 . 1 . . . . 19 Ala CB . 16615 1 77 . 1 1 19 19 ALA N N 15 122.591 0.109 . 1 . . . . 19 Ala N . 16615 1 78 . 1 1 20 20 ALA H H 1 8.267 0.011 . 1 . . . . 20 Ala H . 16615 1 79 . 1 1 20 20 ALA C C 13 179.332 0.000 . 1 . . . . 20 Ala C . 16615 1 80 . 1 1 20 20 ALA CA C 13 55.331 0.003 . 1 . . . . 20 Ala CA . 16615 1 81 . 1 1 20 20 ALA CB C 13 18.622 0.000 . 1 . . . . 20 Ala CB . 16615 1 82 . 1 1 20 20 ALA N N 15 123.612 0.070 . 1 . . . . 20 Ala N . 16615 1 83 . 1 1 21 21 ALA H H 1 8.888 0.004 . 1 . . . . 21 Ala H . 16615 1 84 . 1 1 21 21 ALA C C 13 179.318 0.000 . 1 . . . . 21 Ala C . 16615 1 85 . 1 1 21 21 ALA CA C 13 55.338 0.000 . 1 . . . . 21 Ala CA . 16615 1 86 . 1 1 21 21 ALA CB C 13 19.882 0.071 . 1 . . . . 21 Ala CB . 16615 1 87 . 1 1 21 21 ALA N N 15 121.061 0.126 . 1 . . . . 21 Ala N . 16615 1 88 . 1 1 22 22 GLY H H 1 8.324 0.003 . 1 . . . . 22 Gly H . 16615 1 89 . 1 1 22 22 GLY C C 13 176.246 0.000 . 1 . . . . 22 Gly C . 16615 1 90 . 1 1 22 22 GLY CA C 13 47.264 0.000 . 1 . . . . 22 Gly CA . 16615 1 91 . 1 1 22 22 GLY N N 15 105.294 0.103 . 1 . . . . 22 Gly N . 16615 1 92 . 1 1 23 23 ARG H H 1 7.846 0.001 . 1 . . . . 23 Arg H . 16615 1 93 . 1 1 23 23 ARG C C 13 179.979 0.000 . 1 . . . . 23 Arg C . 16615 1 94 . 1 1 23 23 ARG CA C 13 59.617 0.025 . 1 . . . . 23 Arg CA . 16615 1 95 . 1 1 23 23 ARG CB C 13 30.988 0.000 . 1 . . . . 23 Arg CB . 16615 1 96 . 1 1 23 23 ARG N N 15 120.736 0.121 . 1 . . . . 23 Arg N . 16615 1 97 . 1 1 24 24 ALA H H 1 8.923 0.003 . 1 . . . . 24 Ala H . 16615 1 98 . 1 1 24 24 ALA C C 13 178.358 0.000 . 1 . . . . 24 Ala C . 16615 1 99 . 1 1 24 24 ALA CA C 13 55.343 0.008 . 1 . . . . 24 Ala CA . 16615 1 100 . 1 1 24 24 ALA CB C 13 17.036 0.083 . 1 . . . . 24 Ala CB . 16615 1 101 . 1 1 24 24 ALA N N 15 123.575 0.097 . 1 . . . . 24 Ala N . 16615 1 102 . 1 1 25 25 LEU H H 1 8.117 0.005 . 1 . . . . 25 Leu H . 16615 1 103 . 1 1 25 25 LEU CA C 13 57.826 0.000 . 1 . . . . 25 Leu CA . 16615 1 104 . 1 1 25 25 LEU CB C 13 40.907 0.000 . 1 . . . . 25 Leu CB . 16615 1 105 . 1 1 25 25 LEU N N 15 118.466 0.109 . 1 . . . . 25 Leu N . 16615 1 106 . 1 1 27 27 ALA C C 13 181.011 0.000 . 1 . . . . 27 Ala C . 16615 1 107 . 1 1 27 27 ALA CA C 13 54.808 0.000 . 1 . . . . 27 Ala CA . 16615 1 108 . 1 1 27 27 ALA CB C 13 18.465 0.000 . 1 . . . . 27 Ala CB . 16615 1 109 . 1 1 28 28 ILE H H 1 8.161 0.002 . 1 . . . . 28 Ile H . 16615 1 110 . 1 1 28 28 ILE C C 13 176.254 0.000 . 1 . . . . 28 Ile C . 16615 1 111 . 1 1 28 28 ILE CA C 13 66.021 0.004 . 1 . . . . 28 Ile CA . 16615 1 112 . 1 1 28 28 ILE CB C 13 37.599 0.037 . 1 . . . . 28 Ile CB . 16615 1 113 . 1 1 28 28 ILE N N 15 122.060 0.112 . 1 . . . . 28 Ile N . 16615 1 114 . 1 1 29 29 ILE H H 1 7.898 0.006 . 1 . . . . 29 Ile H . 16615 1 115 . 1 1 29 29 ILE CA C 13 65.982 0.000 . 1 . . . . 29 Ile CA . 16615 1 116 . 1 1 29 29 ILE CB C 13 37.846 0.000 . 1 . . . . 29 Ile CB . 16615 1 117 . 1 1 29 29 ILE N N 15 120.665 0.103 . 1 . . . . 29 Ile N . 16615 1 118 . 1 1 30 30 ALA C C 13 180.232 0.000 . 1 . . . . 30 Ala C . 16615 1 119 . 1 1 30 30 ALA CA C 13 55.662 0.000 . 1 . . . . 30 Ala CA . 16615 1 120 . 1 1 30 30 ALA CB C 13 18.401 0.000 . 1 . . . . 30 Ala CB . 16615 1 121 . 1 1 31 31 SER H H 1 8.237 0.020 . 1 . . . . 31 Ser H . 16615 1 122 . 1 1 31 31 SER C C 13 174.367 0.000 . 1 . . . . 31 Ser C . 16615 1 123 . 1 1 31 31 SER CA C 13 62.042 0.038 . 1 . . . . 31 Ser CA . 16615 1 124 . 1 1 31 31 SER CB C 13 69.865 0.000 . 1 . . . . 31 Ser CB . 16615 1 125 . 1 1 31 31 SER N N 15 114.353 0.411 . 1 . . . . 31 Ser N . 16615 1 126 . 1 1 32 32 VAL H H 1 8.309 0.006 . 1 . . . . 32 Val H . 16615 1 127 . 1 1 32 32 VAL C C 13 176.397 0.000 . 1 . . . . 32 Val C . 16615 1 128 . 1 1 32 32 VAL CA C 13 61.160 0.051 . 1 . . . . 32 Val CA . 16615 1 129 . 1 1 32 32 VAL CB C 13 38.704 0.009 . 1 . . . . 32 Val CB . 16615 1 130 . 1 1 32 32 VAL N N 15 124.560 0.101 . 1 . . . . 32 Val N . 16615 1 131 . 1 1 33 33 THR H H 1 8.326 0.006 . 1 . . . . 33 Thr H . 16615 1 132 . 1 1 33 33 THR CA C 13 62.005 0.000 . 1 . . . . 33 Thr CA . 16615 1 133 . 1 1 33 33 THR CB C 13 69.867 0.000 . 1 . . . . 33 Thr CB . 16615 1 134 . 1 1 33 33 THR N N 15 119.887 0.088 . 1 . . . . 33 Thr N . 16615 1 135 . 1 1 34 34 GLU C C 13 178.556 0.000 . 1 . . . . 34 Glu C . 16615 1 136 . 1 1 34 34 GLU CA C 13 59.510 0.000 . 1 . . . . 34 Glu CA . 16615 1 137 . 1 1 34 34 GLU CB C 13 29.847 0.000 . 1 . . . . 34 Glu CB . 16615 1 138 . 1 1 35 35 SER H H 1 7.950 0.003 . 1 . . . . 35 Ser H . 16615 1 139 . 1 1 35 35 SER C C 13 176.663 0.000 . 1 . . . . 35 Ser C . 16615 1 140 . 1 1 35 35 SER CA C 13 62.991 0.017 . 1 . . . . 35 Ser CA . 16615 1 141 . 1 1 35 35 SER CB C 13 63.779 0.009 . 1 . . . . 35 Ser CB . 16615 1 142 . 1 1 35 35 SER N N 15 114.986 0.111 . 1 . . . . 35 Ser N . 16615 1 143 . 1 1 36 36 LEU H H 1 8.161 0.006 . 1 . . . . 36 Leu H . 16615 1 144 . 1 1 36 36 LEU CA C 13 58.105 0.000 . 1 . . . . 36 Leu CA . 16615 1 145 . 1 1 36 36 LEU N N 15 119.710 0.146 . 1 . . . . 36 Leu N . 16615 1 146 . 1 1 37 37 LYS C C 13 177.870 0.000 . 1 . . . . 37 Lys C . 16615 1 147 . 1 1 37 37 LYS CA C 13 60.167 0.000 . 1 . . . . 37 Lys CA . 16615 1 148 . 1 1 37 37 LYS CB C 13 32.546 0.000 . 1 . . . . 37 Lys CB . 16615 1 149 . 1 1 38 38 GLU H H 1 7.558 0.002 . 1 . . . . 38 Glu H . 16615 1 150 . 1 1 38 38 GLU C C 13 176.781 0.000 . 1 . . . . 38 Glu C . 16615 1 151 . 1 1 38 38 GLU CA C 13 56.112 0.016 . 1 . . . . 38 Glu CA . 16615 1 152 . 1 1 38 38 GLU CB C 13 29.819 0.042 . 1 . . . . 38 Glu CB . 16615 1 153 . 1 1 38 38 GLU N N 15 115.593 0.090 . 1 . . . . 38 Glu N . 16615 1 154 . 1 1 39 39 GLY H H 1 7.981 0.001 . 1 . . . . 39 Gly H . 16615 1 155 . 1 1 39 39 GLY CA C 13 45.493 0.000 . 1 . . . . 39 Gly CA . 16615 1 156 . 1 1 39 39 GLY N N 15 108.464 0.026 . 1 . . . . 39 Gly N . 16615 1 157 . 1 1 40 40 ASP C C 13 174.546 0.000 . 1 . . . . 40 Asp C . 16615 1 158 . 1 1 40 40 ASP CA C 13 52.816 0.000 . 1 . . . . 40 Asp CA . 16615 1 159 . 1 1 40 40 ASP CB C 13 42.782 0.000 . 1 . . . . 40 Asp CB . 16615 1 160 . 1 1 41 41 ASP H H 1 8.217 0.003 . 1 . . . . 41 Asp H . 16615 1 161 . 1 1 41 41 ASP C C 13 176.375 0.000 . 1 . . . . 41 Asp C . 16615 1 162 . 1 1 41 41 ASP CA C 13 53.411 0.004 . 1 . . . . 41 Asp CA . 16615 1 163 . 1 1 41 41 ASP CB C 13 41.906 0.067 . 1 . . . . 41 Asp CB . 16615 1 164 . 1 1 41 41 ASP N N 15 121.750 0.094 . 1 . . . . 41 Asp N . 16615 1 165 . 1 1 42 42 VAL H H 1 9.024 0.005 . 1 . . . . 42 Val H . 16615 1 166 . 1 1 42 42 VAL C C 13 174.005 0.000 . 1 . . . . 42 Val C . 16615 1 167 . 1 1 42 42 VAL CA C 13 61.885 0.003 . 1 . . . . 42 Val CA . 16615 1 168 . 1 1 42 42 VAL CB C 13 33.231 0.000 . 1 . . . . 42 Val CB . 16615 1 169 . 1 1 42 42 VAL N N 15 119.872 0.138 . 1 . . . . 42 Val N . 16615 1 170 . 1 1 43 43 ALA H H 1 8.665 0.003 . 1 . . . . 43 Ala H . 16615 1 171 . 1 1 43 43 ALA C C 13 175.634 0.000 . 1 . . . . 43 Ala C . 16615 1 172 . 1 1 43 43 ALA CA C 13 51.772 0.004 . 1 . . . . 43 Ala CA . 16615 1 173 . 1 1 43 43 ALA CB C 13 20.315 0.011 . 1 . . . . 43 Ala CB . 16615 1 174 . 1 1 43 43 ALA N N 15 131.713 0.124 . 1 . . . . 43 Ala N . 16615 1 175 . 1 1 44 44 LEU H H 1 8.638 0.003 . 1 . . . . 44 Leu H . 16615 1 176 . 1 1 44 44 LEU C C 13 175.495 0.000 . 1 . . . . 44 Leu C . 16615 1 177 . 1 1 44 44 LEU CA C 13 52.591 0.014 . 1 . . . . 44 Leu CA . 16615 1 178 . 1 1 44 44 LEU CB C 13 42.474 0.092 . 1 . . . . 44 Leu CB . 16615 1 179 . 1 1 44 44 LEU N N 15 124.363 0.146 . 1 . . . . 44 Leu N . 16615 1 180 . 1 1 45 45 VAL H H 1 8.452 0.007 . 1 . . . . 45 Val H . 16615 1 181 . 1 1 45 45 VAL CA C 13 64.640 0.000 . 1 . . . . 45 Val CA . 16615 1 182 . 1 1 45 45 VAL CB C 13 31.302 0.000 . 1 . . . . 45 Val CB . 16615 1 183 . 1 1 45 45 VAL N N 15 127.069 0.083 . 1 . . . . 45 Val N . 16615 1 184 . 1 1 46 46 GLY C C 13 173.106 0.000 . 1 . . . . 46 Gly C . 16615 1 185 . 1 1 46 46 GLY CA C 13 45.393 0.000 . 1 . . . . 46 Gly CA . 16615 1 186 . 1 1 47 47 PHE H H 1 8.362 0.003 . 1 . . . . 47 Phe H . 16615 1 187 . 1 1 47 47 PHE C C 13 173.926 0.000 . 1 . . . . 47 Phe C . 16615 1 188 . 1 1 47 47 PHE CA C 13 59.292 0.038 . 1 . . . . 47 Phe CA . 16615 1 189 . 1 1 47 47 PHE CB C 13 41.400 0.000 . 1 . . . . 47 Phe CB . 16615 1 190 . 1 1 47 47 PHE N N 15 120.793 0.029 . 1 . . . . 47 Phe N . 16615 1 191 . 1 1 48 48 GLY H H 1 8.577 0.001 . 1 . . . . 48 Gly H . 16615 1 192 . 1 1 48 48 GLY C C 13 171.007 0.000 . 1 . . . . 48 Gly C . 16615 1 193 . 1 1 48 48 GLY CA C 13 46.185 0.031 . 1 . . . . 48 Gly CA . 16615 1 194 . 1 1 48 48 GLY N N 15 107.306 0.026 . 1 . . . . 48 Gly N . 16615 1 195 . 1 1 49 49 THR H H 1 7.624 0.007 . 1 . . . . 49 Thr H . 16615 1 196 . 1 1 49 49 THR C C 13 174.434 0.000 . 1 . . . . 49 Thr C . 16615 1 197 . 1 1 49 49 THR CA C 13 60.540 0.014 . 1 . . . . 49 Thr CA . 16615 1 198 . 1 1 49 49 THR CB C 13 72.232 0.000 . 1 . . . . 49 Thr CB . 16615 1 199 . 1 1 49 49 THR N N 15 114.400 0.102 . 1 . . . . 49 Thr N . 16615 1 200 . 1 1 50 50 PHE H H 1 9.582 0.004 . 1 . . . . 50 Phe H . 16615 1 201 . 1 1 50 50 PHE C C 13 173.613 0.000 . 1 . . . . 50 Phe C . 16615 1 202 . 1 1 50 50 PHE CA C 13 57.043 0.010 . 1 . . . . 50 Phe CA . 16615 1 203 . 1 1 50 50 PHE CB C 13 41.202 0.011 . 1 . . . . 50 Phe CB . 16615 1 204 . 1 1 50 50 PHE N N 15 126.996 0.068 . 1 . . . . 50 Phe N . 16615 1 205 . 1 1 51 51 ALA H H 1 8.985 0.004 . 1 . . . . 51 Ala H . 16615 1 206 . 1 1 51 51 ALA C C 13 176.024 0.000 . 1 . . . . 51 Ala C . 16615 1 207 . 1 1 51 51 ALA CA C 13 51.569 0.005 . 1 . . . . 51 Ala CA . 16615 1 208 . 1 1 51 51 ALA CB C 13 23.662 0.012 . 1 . . . . 51 Ala CB . 16615 1 209 . 1 1 51 51 ALA N N 15 125.086 0.105 . 1 . . . . 51 Ala N . 16615 1 210 . 1 1 52 52 VAL H H 1 8.909 0.004 . 1 . . . . 52 Val H . 16615 1 211 . 1 1 52 52 VAL C C 13 175.404 0.000 . 1 . . . . 52 Val C . 16615 1 212 . 1 1 52 52 VAL CA C 13 61.673 0.009 . 1 . . . . 52 Val CA . 16615 1 213 . 1 1 52 52 VAL CB C 13 33.674 0.063 . 1 . . . . 52 Val CB . 16615 1 214 . 1 1 52 52 VAL N N 15 119.197 0.114 . 1 . . . . 52 Val N . 16615 1 215 . 1 1 53 53 LYS H H 1 8.539 0.003 . 1 . . . . 53 Lys H . 16615 1 216 . 1 1 53 53 LYS C C 13 175.106 0.000 . 1 . . . . 53 Lys C . 16615 1 217 . 1 1 53 53 LYS CA C 13 54.275 0.000 . 1 . . . . 53 Lys CA . 16615 1 218 . 1 1 53 53 LYS CB C 13 35.160 0.012 . 1 . . . . 53 Lys CB . 16615 1 219 . 1 1 53 53 LYS N N 15 126.692 0.116 . 1 . . . . 53 Lys N . 16615 1 220 . 1 1 54 54 GLU H H 1 8.861 0.006 . 1 . . . . 54 Glu H . 16615 1 221 . 1 1 54 54 GLU C C 13 175.849 0.000 . 1 . . . . 54 Glu C . 16615 1 222 . 1 1 54 54 GLU CA C 13 56.295 0.003 . 1 . . . . 54 Glu CA . 16615 1 223 . 1 1 54 54 GLU CB C 13 31.047 0.084 . 1 . . . . 54 Glu CB . 16615 1 224 . 1 1 54 54 GLU N N 15 123.720 0.113 . 1 . . . . 54 Glu N . 16615 1 225 . 1 1 55 55 ARG H H 1 9.052 0.004 . 1 . . . . 55 Arg H . 16615 1 226 . 1 1 55 55 ARG C C 13 175.074 0.000 . 1 . . . . 55 Arg C . 16615 1 227 . 1 1 55 55 ARG CA C 13 55.081 0.004 . 1 . . . . 55 Arg CA . 16615 1 228 . 1 1 55 55 ARG CB C 13 31.780 0.043 . 1 . . . . 55 Arg CB . 16615 1 229 . 1 1 55 55 ARG N N 15 127.679 0.101 . 1 . . . . 55 Arg N . 16615 1 230 . 1 1 56 56 ALA H H 1 8.487 0.005 . 1 . . . . 56 Ala H . 16615 1 231 . 1 1 56 56 ALA C C 13 177.906 0.000 . 1 . . . . 56 Ala C . 16615 1 232 . 1 1 56 56 ALA CA C 13 52.145 0.047 . 1 . . . . 56 Ala CA . 16615 1 233 . 1 1 56 56 ALA CB C 13 19.509 0.000 . 1 . . . . 56 Ala CB . 16615 1 234 . 1 1 56 56 ALA N N 15 127.685 0.107 . 1 . . . . 56 Ala N . 16615 1 235 . 1 1 57 57 ALA H H 1 8.683 0.006 . 1 . . . . 57 Ala H . 16615 1 236 . 1 1 57 57 ALA C C 13 177.420 0.000 . 1 . . . . 57 Ala C . 16615 1 237 . 1 1 57 57 ALA CA C 13 52.771 0.001 . 1 . . . . 57 Ala CA . 16615 1 238 . 1 1 57 57 ALA CB C 13 19.233 0.048 . 1 . . . . 57 Ala CB . 16615 1 239 . 1 1 57 57 ALA N N 15 123.874 0.090 . 1 . . . . 57 Ala N . 16615 1 240 . 1 1 58 58 ARG H H 1 8.639 0.005 . 1 . . . . 58 Arg H . 16615 1 241 . 1 1 58 58 ARG C C 13 174.685 0.000 . 1 . . . . 58 Arg C . 16615 1 242 . 1 1 58 58 ARG CA C 13 55.023 0.002 . 1 . . . . 58 Arg CA . 16615 1 243 . 1 1 58 58 ARG CB C 13 33.178 0.005 . 1 . . . . 58 Arg CB . 16615 1 244 . 1 1 58 58 ARG N N 15 119.423 0.108 . 1 . . . . 58 Arg N . 16615 1 245 . 1 1 59 59 THR H H 1 8.559 0.007 . 1 . . . . 59 Thr H . 16615 1 246 . 1 1 59 59 THR C C 13 174.541 0.000 . 1 . . . . 59 Thr C . 16615 1 247 . 1 1 59 59 THR CA C 13 61.515 0.003 . 1 . . . . 59 Thr CA . 16615 1 248 . 1 1 59 59 THR CB C 13 70.517 0.004 . 1 . . . . 59 Thr CB . 16615 1 249 . 1 1 59 59 THR N N 15 116.626 0.093 . 1 . . . . 59 Thr N . 16615 1 250 . 1 1 60 60 GLY H H 1 8.766 0.004 . 1 . . . . 60 Gly H . 16615 1 251 . 1 1 60 60 GLY C C 13 172.485 0.000 . 1 . . . . 60 Gly C . 16615 1 252 . 1 1 60 60 GLY CA C 13 44.474 0.002 . 1 . . . . 60 Gly CA . 16615 1 253 . 1 1 60 60 GLY N N 15 112.994 0.083 . 1 . . . . 60 Gly N . 16615 1 254 . 1 1 61 61 ARG H H 1 8.578 0.005 . 1 . . . . 61 Arg H . 16615 1 255 . 1 1 61 61 ARG C C 13 175.703 0.000 . 1 . . . . 61 Arg C . 16615 1 256 . 1 1 61 61 ARG CA C 13 54.737 0.001 . 1 . . . . 61 Arg CA . 16615 1 257 . 1 1 61 61 ARG CB C 13 32.611 0.005 . 1 . . . . 61 Arg CB . 16615 1 258 . 1 1 61 61 ARG N N 15 120.476 0.101 . 1 . . . . 61 Arg N . 16615 1 259 . 1 1 62 62 ASN H H 1 8.941 0.005 . 1 . . . . 62 Asn H . 16615 1 260 . 1 1 62 62 ASN CA C 13 51.217 0.000 . 1 . . . . 62 Asn CA . 16615 1 261 . 1 1 62 62 ASN CB C 13 39.421 0.000 . 1 . . . . 62 Asn CB . 16615 1 262 . 1 1 62 62 ASN N N 15 126.114 0.088 . 1 . . . . 62 Asn N . 16615 1 263 . 1 1 63 63 PRO C C 13 177.607 0.000 . 1 . . . . 63 Pro C . 16615 1 264 . 1 1 63 63 PRO CA C 13 64.440 0.000 . 1 . . . . 63 Pro CA . 16615 1 265 . 1 1 63 63 PRO CB C 13 32.051 0.000 . 1 . . . . 63 Pro CB . 16615 1 266 . 1 1 64 64 GLN H H 1 8.285 0.002 . 1 . . . . 64 Gln H . 16615 1 267 . 1 1 64 64 GLN C C 13 177.520 0.000 . 1 . . . . 64 Gln C . 16615 1 268 . 1 1 64 64 GLN CA C 13 58.062 0.002 . 1 . . . . 64 Gln CA . 16615 1 269 . 1 1 64 64 GLN CB C 13 29.354 0.000 . 1 . . . . 64 Gln CB . 16615 1 270 . 1 1 64 64 GLN N N 15 116.519 0.120 . 1 . . . . 64 Gln N . 16615 1 271 . 1 1 65 65 THR H H 1 7.699 0.001 . 1 . . . . 65 Thr H . 16615 1 272 . 1 1 65 65 THR C C 13 176.350 0.000 . 1 . . . . 65 Thr C . 16615 1 273 . 1 1 65 65 THR CA C 13 61.369 0.001 . 1 . . . . 65 Thr CA . 16615 1 274 . 1 1 65 65 THR CB C 13 70.868 0.008 . 1 . . . . 65 Thr CB . 16615 1 275 . 1 1 65 65 THR N N 15 106.941 0.118 . 1 . . . . 65 Thr N . 16615 1 276 . 1 1 66 66 GLY H H 1 8.555 0.003 . 1 . . . . 66 Gly H . 16615 1 277 . 1 1 66 66 GLY C C 13 173.671 0.000 . 1 . . . . 66 Gly C . 16615 1 278 . 1 1 66 66 GLY CA C 13 45.543 0.001 . 1 . . . . 66 Gly CA . 16615 1 279 . 1 1 66 66 GLY N N 15 111.488 0.093 . 1 . . . . 66 Gly N . 16615 1 280 . 1 1 67 67 LYS H H 1 7.665 0.002 . 1 . . . . 67 Lys H . 16615 1 281 . 1 1 67 67 LYS C C 13 176.043 0.000 . 1 . . . . 67 Lys C . 16615 1 282 . 1 1 67 67 LYS CA C 13 55.833 0.002 . 1 . . . . 67 Lys CA . 16615 1 283 . 1 1 67 67 LYS CB C 13 33.493 0.002 . 1 . . . . 67 Lys CB . 16615 1 284 . 1 1 67 67 LYS N N 15 119.953 0.096 . 1 . . . . 67 Lys N . 16615 1 285 . 1 1 68 68 GLU H H 1 8.734 0.005 . 1 . . . . 68 Glu H . 16615 1 286 . 1 1 68 68 GLU C C 13 176.236 0.000 . 1 . . . . 68 Glu C . 16615 1 287 . 1 1 68 68 GLU CA C 13 57.168 0.001 . 1 . . . . 68 Glu CA . 16615 1 288 . 1 1 68 68 GLU CB C 13 30.603 0.004 . 1 . . . . 68 Glu CB . 16615 1 289 . 1 1 68 68 GLU N N 15 122.722 0.114 . 1 . . . . 68 Glu N . 16615 1 290 . 1 1 69 69 ILE H H 1 8.462 0.003 . 1 . . . . 69 Ile H . 16615 1 291 . 1 1 69 69 ILE C C 13 174.888 0.000 . 1 . . . . 69 Ile C . 16615 1 292 . 1 1 69 69 ILE CA C 13 59.784 0.001 . 1 . . . . 69 Ile CA . 16615 1 293 . 1 1 69 69 ILE CB C 13 41.745 0.003 . 1 . . . . 69 Ile CB . 16615 1 294 . 1 1 69 69 ILE N N 15 121.665 0.107 . 1 . . . . 69 Ile N . 16615 1 295 . 1 1 70 70 THR H H 1 8.610 0.007 . 1 . . . . 70 Thr H . 16615 1 296 . 1 1 70 70 THR C C 13 173.904 0.000 . 1 . . . . 70 Thr C . 16615 1 297 . 1 1 70 70 THR CA C 13 62.388 0.002 . 1 . . . . 70 Thr CA . 16615 1 298 . 1 1 70 70 THR CB C 13 70.030 0.000 . 1 . . . . 70 Thr CB . 16615 1 299 . 1 1 70 70 THR N N 15 119.977 0.102 . 1 . . . . 70 Thr N . 16615 1 300 . 1 1 71 71 ILE H H 1 9.006 0.007 . 1 . . . . 71 Ile H . 16615 1 301 . 1 1 71 71 ILE C C 13 175.000 0.000 . 1 . . . . 71 Ile C . 16615 1 302 . 1 1 71 71 ILE CA C 13 60.519 0.003 . 1 . . . . 71 Ile CA . 16615 1 303 . 1 1 71 71 ILE CB C 13 38.488 0.185 . 1 . . . . 71 Ile CB . 16615 1 304 . 1 1 71 71 ILE N N 15 129.869 0.085 . 1 . . . . 71 Ile N . 16615 1 305 . 1 1 72 72 ALA H H 1 8.417 0.006 . 1 . . . . 72 Ala H . 16615 1 306 . 1 1 72 72 ALA C C 13 177.743 0.000 . 1 . . . . 72 Ala C . 16615 1 307 . 1 1 72 72 ALA CA C 13 52.359 0.063 . 1 . . . . 72 Ala CA . 16615 1 308 . 1 1 72 72 ALA CB C 13 19.151 0.032 . 1 . . . . 72 Ala CB . 16615 1 309 . 1 1 72 72 ALA N N 15 128.755 0.069 . 1 . . . . 72 Ala N . 16615 1 310 . 1 1 73 73 ALA H H 1 8.585 0.006 . 1 . . . . 73 Ala H . 16615 1 311 . 1 1 73 73 ALA C C 13 177.105 0.000 . 1 . . . . 73 Ala C . 16615 1 312 . 1 1 73 73 ALA CA C 13 52.696 0.019 . 1 . . . . 73 Ala CA . 16615 1 313 . 1 1 73 73 ALA CB C 13 19.491 0.016 . 1 . . . . 73 Ala CB . 16615 1 314 . 1 1 73 73 ALA N N 15 123.636 0.097 . 1 . . . . 73 Ala N . 16615 1 315 . 1 1 74 74 ALA H H 1 8.426 0.005 . 1 . . . . 74 Ala H . 16615 1 316 . 1 1 74 74 ALA C C 13 176.003 0.000 . 1 . . . . 74 Ala C . 16615 1 317 . 1 1 74 74 ALA CA C 13 51.805 0.004 . 1 . . . . 74 Ala CA . 16615 1 318 . 1 1 74 74 ALA CB C 13 22.303 0.022 . 1 . . . . 74 Ala CB . 16615 1 319 . 1 1 74 74 ALA N N 15 122.554 0.115 . 1 . . . . 74 Ala N . 16615 1 320 . 1 1 75 75 LYS H H 1 9.102 0.006 . 1 . . . . 75 Lys H . 16615 1 321 . 1 1 75 75 LYS C C 13 176.808 0.000 . 1 . . . . 75 Lys C . 16615 1 322 . 1 1 75 75 LYS CA C 13 55.824 0.002 . 1 . . . . 75 Lys CA . 16615 1 323 . 1 1 75 75 LYS CB C 13 33.505 0.048 . 1 . . . . 75 Lys CB . 16615 1 324 . 1 1 75 75 LYS N N 15 120.896 0.107 . 1 . . . . 75 Lys N . 16615 1 325 . 1 1 76 76 VAL H H 1 9.154 0.006 . 1 . . . . 76 Val H . 16615 1 326 . 1 1 76 76 VAL CA C 13 58.961 0.000 . 1 . . . . 76 Val CA . 16615 1 327 . 1 1 76 76 VAL CB C 13 34.682 0.000 . 1 . . . . 76 Val CB . 16615 1 328 . 1 1 76 76 VAL N N 15 121.779 0.103 . 1 . . . . 76 Val N . 16615 1 329 . 1 1 77 77 PRO C C 13 174.872 0.000 . 1 . . . . 77 Pro C . 16615 1 330 . 1 1 77 77 PRO CA C 13 62.365 0.000 . 1 . . . . 77 Pro CA . 16615 1 331 . 1 1 77 77 PRO CB C 13 31.755 0.000 . 1 . . . . 77 Pro CB . 16615 1 332 . 1 1 78 78 SER H H 1 9.285 0.004 . 1 . . . . 78 Ser H . 16615 1 333 . 1 1 78 78 SER C C 13 171.701 0.000 . 1 . . . . 78 Ser C . 16615 1 334 . 1 1 78 78 SER CA C 13 57.278 0.000 . 1 . . . . 78 Ser CA . 16615 1 335 . 1 1 78 78 SER CB C 13 66.570 0.013 . 1 . . . . 78 Ser CB . 16615 1 336 . 1 1 78 78 SER N N 15 119.461 0.111 . 1 . . . . 78 Ser N . 16615 1 337 . 1 1 79 79 PHE H H 1 8.692 0.006 . 1 . . . . 79 Phe H . 16615 1 338 . 1 1 79 79 PHE C C 13 173.535 0.000 . 1 . . . . 79 Phe C . 16615 1 339 . 1 1 79 79 PHE CA C 13 55.549 0.009 . 1 . . . . 79 Phe CA . 16615 1 340 . 1 1 79 79 PHE CB C 13 43.712 0.095 . 1 . . . . 79 Phe CB . 16615 1 341 . 1 1 79 79 PHE N N 15 122.342 0.111 . 1 . . . . 79 Phe N . 16615 1 342 . 1 1 80 80 ARG H H 1 8.117 0.004 . 1 . . . . 80 Arg H . 16615 1 343 . 1 1 80 80 ARG C C 13 174.725 0.000 . 1 . . . . 80 Arg C . 16615 1 344 . 1 1 80 80 ARG CA C 13 53.604 0.002 . 1 . . . . 80 Arg CA . 16615 1 345 . 1 1 80 80 ARG CB C 13 31.512 0.006 . 1 . . . . 80 Arg CB . 16615 1 346 . 1 1 80 80 ARG N N 15 128.316 0.137 . 1 . . . . 80 Arg N . 16615 1 347 . 1 1 81 81 ALA H H 1 8.640 0.005 . 1 . . . . 81 Ala H . 16615 1 348 . 1 1 81 81 ALA C C 13 177.043 0.000 . 1 . . . . 81 Ala C . 16615 1 349 . 1 1 81 81 ALA CA C 13 52.602 0.051 . 1 . . . . 81 Ala CA . 16615 1 350 . 1 1 81 81 ALA CB C 13 20.267 0.059 . 1 . . . . 81 Ala CB . 16615 1 351 . 1 1 81 81 ALA N N 15 128.884 0.089 . 1 . . . . 81 Ala N . 16615 1 352 . 1 1 82 82 GLY H H 1 8.383 0.001 . 1 . . . . 82 Gly H . 16615 1 353 . 1 1 82 82 GLY CA C 13 43.818 0.000 . 1 . . . . 82 Gly CA . 16615 1 354 . 1 1 82 82 GLY N N 15 110.950 0.120 . 1 . . . . 82 Gly N . 16615 1 355 . 1 1 83 83 LYS C C 13 177.467 0.000 . 1 . . . . 83 Lys C . 16615 1 356 . 1 1 83 83 LYS CA C 13 60.043 0.000 . 1 . . . . 83 Lys CA . 16615 1 357 . 1 1 83 83 LYS CB C 13 32.965 0.000 . 1 . . . . 83 Lys CB . 16615 1 358 . 1 1 84 84 ALA H H 1 8.369 0.005 . 1 . . . . 84 Ala H . 16615 1 359 . 1 1 84 84 ALA C C 13 180.685 0.000 . 1 . . . . 84 Ala C . 16615 1 360 . 1 1 84 84 ALA CA C 13 55.239 0.027 . 1 . . . . 84 Ala CA . 16615 1 361 . 1 1 84 84 ALA CB C 13 17.738 0.056 . 1 . . . . 84 Ala CB . 16615 1 362 . 1 1 84 84 ALA N N 15 118.779 0.117 . 1 . . . . 84 Ala N . 16615 1 363 . 1 1 85 85 LEU H H 1 7.482 0.006 . 1 . . . . 85 Leu H . 16615 1 364 . 1 1 85 85 LEU C C 13 177.850 0.000 . 1 . . . . 85 Leu C . 16615 1 365 . 1 1 85 85 LEU CA C 13 57.509 0.005 . 1 . . . . 85 Leu CA . 16615 1 366 . 1 1 85 85 LEU CB C 13 42.212 0.000 . 1 . . . . 85 Leu CB . 16615 1 367 . 1 1 85 85 LEU N N 15 119.737 0.100 . 1 . . . . 85 Leu N . 16615 1 368 . 1 1 86 86 LYS H H 1 7.888 0.002 . 1 . . . . 86 Lys H . 16615 1 369 . 1 1 86 86 LYS C C 13 179.355 0.000 . 1 . . . . 86 Lys C . 16615 1 370 . 1 1 86 86 LYS CA C 13 60.979 0.017 . 1 . . . . 86 Lys CA . 16615 1 371 . 1 1 86 86 LYS CB C 13 32.087 0.015 . 1 . . . . 86 Lys CB . 16615 1 372 . 1 1 86 86 LYS N N 15 117.046 0.102 . 1 . . . . 86 Lys N . 16615 1 373 . 1 1 87 87 ASP H H 1 8.830 0.005 . 1 . . . . 87 Asp H . 16615 1 374 . 1 1 87 87 ASP C C 13 178.788 0.000 . 1 . . . . 87 Asp C . 16615 1 375 . 1 1 87 87 ASP CA C 13 56.833 0.002 . 1 . . . . 87 Asp CA . 16615 1 376 . 1 1 87 87 ASP CB C 13 39.916 0.063 . 1 . . . . 87 Asp CB . 16615 1 377 . 1 1 87 87 ASP N N 15 118.426 0.108 . 1 . . . . 87 Asp N . 16615 1 378 . 1 1 88 88 ALA H H 1 7.775 0.003 . 1 . . . . 88 Ala H . 16615 1 379 . 1 1 88 88 ALA C C 13 179.154 0.000 . 1 . . . . 88 Ala C . 16615 1 380 . 1 1 88 88 ALA CA C 13 54.548 0.003 . 1 . . . . 88 Ala CA . 16615 1 381 . 1 1 88 88 ALA CB C 13 19.397 0.095 . 1 . . . . 88 Ala CB . 16615 1 382 . 1 1 88 88 ALA N N 15 120.488 0.126 . 1 . . . . 88 Ala N . 16615 1 383 . 1 1 89 89 VAL H H 1 7.159 0.004 . 1 . . . . 89 Val H . 16615 1 384 . 1 1 89 89 VAL C C 13 173.928 0.000 . 1 . . . . 89 Val C . 16615 1 385 . 1 1 89 89 VAL CA C 13 61.114 0.012 . 1 . . . . 89 Val CA . 16615 1 386 . 1 1 89 89 VAL CB C 13 31.396 0.005 . 1 . . . . 89 Val CB . 16615 1 387 . 1 1 89 89 VAL N N 15 106.774 0.126 . 1 . . . . 89 Val N . 16615 1 388 . 1 1 90 90 ASN H H 1 7.266 0.001 . 1 . . . . 90 Asn H . 16615 1 389 . 1 1 90 90 ASN CA C 13 55.419 0.000 . 1 . . . . 90 Asn CA . 16615 1 390 . 1 1 90 90 ASN CB C 13 42.419 0.000 . 1 . . . . 90 Asn CB . 16615 1 391 . 1 1 90 90 ASN N N 15 125.428 0.109 . 1 . . . . 90 Asn N . 16615 1 stop_ save_