data_17514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17514 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Leucine Zipper c-Jun. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-07 _Entry.Accession_date 2011-03-07 _Entry.Last_release_date 2012-08-07 _Entry.Original_release_date 2012-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Yaroslav Nikolaev . . . 17514 2 Konstantin Pervushin . . . 17514 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biozentrum, University of Basel' . 17514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 78 17514 '15N chemical shifts' 40 17514 '1H chemical shifts' 40 17514 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 . . 2012-08-07 2011-03-07 original author . 17514 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 3394 'Jun leucine zipper domain' 17514 PDB 1JUN . 17514 PDB 2H7H . 17514 stop_ save_ ############### # Citations # ############### save_jbc _Citation.Sf_category citations _Citation.Sf_framecode jbc _Citation.Entry_ID 17514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22374868 _Citation.Full_citation . _Citation.Title 'Structural basis of RNA binding by leucine zipper GCN4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 5 _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 667 _Citation.Page_last 676 _Citation.Year 2012 _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 Yaroslav Nikolaev . . . 17514 1 2 Konstantin Pervushin . . . 17514 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bzip 17514 1 catalysis 17514 1 'coiled coil' 17514 1 'leucine zipper' 17514 1 nmr 17514 1 ribonuclease 17514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17514 _Assembly.ID 1 _Assembly.Name 'LZ-cJun dimer' _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 . _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 'LZ-cJun, 1' 1 $LZ-cJun A . yes native yes yes . . . 17514 1 2 'LZ-cJun, 2' 1 $LZ-cJun B . yes native yes yes . . . 17514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LZ-cJun _Entity.Sf_category entity _Entity.Sf_framecode LZ-cJun _Entity.Entry_ID 17514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LZ-cJun _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 ; GLERIARLEEKVKTLKAQNS ELASTANMLREQVAQLKQKV MN ; _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 42 _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 . _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 3394 . "Jun leucine zipper domain" . . . . . 92.86 44 100.00 100.00 3.97e-16 . . . . 17514 1 2 no PDB 1A02 . "Structure Of The Dna Binding Domains Of Nfat, Fos And Jun Bound To Dna" . . . . . 83.33 56 100.00 100.00 5.08e-13 . . . . 17514 1 3 no PDB 1FOS . "Two Human C-Fos:c-Jun:dna Complexes" . . . . . 97.62 62 100.00 100.00 1.91e-17 . . . . 17514 1 4 no PDB 1JNM . "Crystal Structure Of The JunCRE COMPLEX" . . . . . 97.62 62 100.00 100.00 1.91e-17 . . . . 17514 1 5 no PDB 1JUN . "Nmr Study Of C-Jun Homodimer" . . . . . 92.86 44 100.00 100.00 4.57e-16 . . . . 17514 1 6 no PDB 1S9K . "Crystal Structure Of Human Nfat1 And Fos-Jun On The Il-2 Arre1 Site" . . . . . 83.33 52 100.00 100.00 5.41e-13 . . . . 17514 1 7 no PDB 1T2K . "Structure Of The Dna Binding Domains Of Irf3, Atf-2 And Jun Bound To Dna" . . . . . 97.62 62 100.00 100.00 2.00e-17 . . . . 17514 1 8 no PDB 2H7H . "Crystal Structure Of The Jun Bzip Homodimer Complexed With Ap-1 Dna" . . . . . 97.62 62 100.00 100.00 1.91e-17 . . . . 17514 1 9 no DBJ BAD98539 . "c-jun [Alligator mississippiensis]" . . . . . 97.62 320 100.00 100.00 1.09e-16 . . . . 17514 1 10 no DBJ BAD98540 . "c-jun [Pseudemys nelsoni]" . . . . . 97.62 314 100.00 100.00 1.23e-16 . . . . 17514 1 11 no DBJ BAD98541 . "c-jun [Crocodylus niloticus]" . . . . . 97.62 319 100.00 100.00 7.73e-17 . . . . 17514 1 12 no DBJ BAE20944 . "unnamed protein product [Mus musculus]" . . . . . 97.62 334 100.00 100.00 1.29e-16 . . . . 17514 1 13 no DBJ BAE22389 . "unnamed protein product [Mus musculus]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 14 no EMBL CAA31236 . "unnamed protein product [Mus musculus]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 15 no EMBL CAA31252 . "unnamed protein product [Mus musculus]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 16 no EMBL CAA33553 . "unnamed protein product [Coturnix coturnix]" . . . . . 97.62 313 100.00 100.00 1.29e-16 . . . . 17514 1 17 no EMBL CAA35041 . "unnamed protein product [Rattus sp.]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 18 no EMBL CAA35084 . "unnamed protein product [Rattus norvegicus]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 19 no GB AAA37419 . "c-jun protein [Mus musculus]" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 20 no GB AAA42416 . "jun oncogene, partial [Avian sarcoma virus]" . . . . . 97.62 340 100.00 100.00 9.29e-17 . . . . 17514 1 21 no GB AAA48927 . "jun protein [Gallus gallus]" . . . . . 97.62 310 100.00 100.00 1.19e-16 . . . . 17514 1 22 no GB AAA49537 . "immediate-early protein [Serinus canaria]" . . . . . 97.62 314 100.00 100.00 1.10e-16 . . . . 17514 1 23 no GB AAA59197 . "JUN [Homo sapiens]" . . . . . 97.62 331 100.00 100.00 1.24e-16 . . . . 17514 1 24 no PRF 1404381A . "c-jun oncogene" . . . . . 97.62 330 100.00 100.00 1.18e-16 . . . . 17514 1 25 no PRF 1411298A . "c-jun gene" . . . . . 97.62 331 100.00 100.00 1.28e-16 . . . . 17514 1 26 no PRF 1411300A . "oncogene JUN/AP1" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 27 no PRF 2107314A . "c-jun gene [Serinus canaria]" . . . . . 97.62 314 100.00 100.00 1.10e-16 . . . . 17514 1 28 no REF NP_001026460 . "transcription factor AP-1 [Gallus gallus]" . . . . . 97.62 310 100.00 100.00 1.19e-16 . . . . 17514 1 29 no REF NP_001071295 . "transcription factor AP-1 [Bos taurus]" . . . . . 97.62 303 100.00 100.00 1.30e-16 . . . . 17514 1 30 no REF NP_001185876 . "transcription factor AP-1 [Oryctolagus cuniculus]" . . . . . 97.62 337 100.00 100.00 1.40e-16 . . . . 17514 1 31 no REF NP_001252779 . "transcription factor AP-1 [Macaca mulatta]" . . . . . 97.62 334 100.00 100.00 1.26e-16 . . . . 17514 1 32 no REF NP_001274537 . "jun proto-oncogene [Alligator mississippiensis]" . . . . . 97.62 320 100.00 100.00 1.09e-16 . . . . 17514 1 33 no SP O77627 . "RecName: Full=Transcription factor AP-1; AltName: Full=Activator protein 1; Short=AP1; AltName: Full=Proto-oncogene c-Jun; AltN" . . . . . 97.62 335 100.00 100.00 1.40e-16 . . . . 17514 1 34 no SP P05411 . "RecName: Full=Viral jun-transforming protein; Short=v-Jun" . . . . . 97.62 287 100.00 100.00 1.04e-16 . . . . 17514 1 35 no SP P05412 . "RecName: Full=Transcription factor AP-1; AltName: Full=Activator protein 1; Short=AP1; AltName: Full=Proto-oncogene c-Jun; AltN" . . . . . 97.62 331 100.00 100.00 1.24e-16 . . . . 17514 1 36 no SP P05627 . "RecName: Full=Transcription factor AP-1; AltName: Full=AH119; AltName: Full=Activator protein 1; Short=AP1; AltName: Full=Proto" . . . . . 97.62 334 100.00 100.00 1.33e-16 . . . . 17514 1 37 no SP P12981 . "RecName: Full=Transcription factor AP-1; AltName: Full=Proto-oncogene c-Jun" . . . . . 97.62 313 100.00 100.00 1.29e-16 . . . . 17514 1 38 no TPG DAA31168 . "TPA: transcription factor AP-1 [Bos taurus]" . . . . . 97.62 303 100.00 100.00 1.30e-16 . . . . 17514 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 0 GLY . 17514 1 2 1 LEU . 17514 1 3 2 GLU . 17514 1 4 3 ARG . 17514 1 5 4 ILE . 17514 1 6 5 ALA . 17514 1 7 6 ARG . 17514 1 8 7 LEU . 17514 1 9 8 GLU . 17514 1 10 9 GLU . 17514 1 11 10 LYS . 17514 1 12 11 VAL . 17514 1 13 12 LYS . 17514 1 14 13 THR . 17514 1 15 14 LEU . 17514 1 16 15 LYS . 17514 1 17 16 ALA . 17514 1 18 17 GLN . 17514 1 19 18 ASN . 17514 1 20 19 SER . 17514 1 21 20 GLU . 17514 1 22 21 LEU . 17514 1 23 22 ALA . 17514 1 24 23 SER . 17514 1 25 24 THR . 17514 1 26 25 ALA . 17514 1 27 26 ASN . 17514 1 28 27 MET . 17514 1 29 28 LEU . 17514 1 30 29 ARG . 17514 1 31 30 GLU . 17514 1 32 31 GLN . 17514 1 33 32 VAL . 17514 1 34 33 ALA . 17514 1 35 34 GLN . 17514 1 36 35 LEU . 17514 1 37 36 LYS . 17514 1 38 37 GLN . 17514 1 39 38 LYS . 17514 1 40 39 VAL . 17514 1 41 40 MET . 17514 1 42 41 ASN . 17514 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 . GLY 1 1 17514 1 . LEU 2 2 17514 1 . GLU 3 3 17514 1 . ARG 4 4 17514 1 . ILE 5 5 17514 1 . ALA 6 6 17514 1 . ARG 7 7 17514 1 . LEU 8 8 17514 1 . GLU 9 9 17514 1 . GLU 10 10 17514 1 . LYS 11 11 17514 1 . VAL 12 12 17514 1 . LYS 13 13 17514 1 . THR 14 14 17514 1 . LEU 15 15 17514 1 . LYS 16 16 17514 1 . ALA 17 17 17514 1 . GLN 18 18 17514 1 . ASN 19 19 17514 1 . SER 20 20 17514 1 . GLU 21 21 17514 1 . LEU 22 22 17514 1 . ALA 23 23 17514 1 . SER 24 24 17514 1 . THR 25 25 17514 1 . ALA 26 26 17514 1 . ASN 27 27 17514 1 . MET 28 28 17514 1 . LEU 29 29 17514 1 . ARG 30 30 17514 1 . GLU 31 31 17514 1 . GLN 32 32 17514 1 . VAL 33 33 17514 1 . ALA 34 34 17514 1 . GLN 35 35 17514 1 . LEU 36 36 17514 1 . LYS 37 37 17514 1 . GLN 38 38 17514 1 . LYS 39 39 17514 1 . VAL 40 40 17514 1 . MET 41 41 17514 1 . ASN 42 42 17514 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 17514 _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 $LZ-cJun . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17514 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 17514 _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 $LZ-cJun . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pQE30 . . . 'Expressed as a fusion, later cleaved with enterokinase.' . . 17514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_lzjun_NC _Sample.Sf_category sample _Sample.Sf_framecode lzjun_NC _Sample.Entry_ID 17514 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 LZ-cJun '[U-13C; U-15N]' . . 1 $LZ-cJun . . 0.5 . . mM . . . . 17514 1 2 KCl 'natural abundance' . . . . . . 85 . . mM . . . . 17514 1 stop_ save_ ####################### # Sample conditions # ####################### save_pH_7.1_295K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH_7.1_295K _Sample_condition_list.Entry_ID 17514 _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 7.1 . pH 17514 1 pressure 1 . atm 17514 1 temperature 295 . K 17514 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17514 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17514 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17514 1 'data analysis' 17514 1 'peak picking' 17514 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17514 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17514 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17514 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17514 _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' . . 17514 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17514 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 17514 _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 AMX . 800 Cryoprobe . . 17514 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 17514 _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 CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $lzjun_NC isotropic . . 1 $pH_7.1_295K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17514 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $lzjun_NC isotropic . . 1 $pH_7.1_295K . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17514 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17514 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17514 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H referenced from H2O resonance frequency, heteronuclei - from IUPAC referencing ratio values.' 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 . . . . . . . . . 17514 1 H 1 water protons . . . . ppm 4.8016 internal direct 1 . . . . . . . . . 17514 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17514 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . . . . . 17514 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_lzjun_coiled_coil_pH_7.1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode lzjun_coiled_coil_pH_7.1 _Assigned_chem_shift_list.Entry_ID 17514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_7.1_295K _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 '3D CBCA(CO)NH' . . . 17514 1 2 '3D 1H-15N NOESY' . . . 17514 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 3 3 GLU H H 1 9.063 0.020 . 1 . . . . 2 GLU H . 17514 1 2 . 1 1 3 3 GLU N N 15 122.558 0.3 . 1 . . . . 2 GLU N . 17514 1 3 . 1 1 4 4 ARG H H 1 8.237 0.020 . 1 . . . . 3 ARG H . 17514 1 4 . 1 1 4 4 ARG N N 15 120.298 0.3 . 1 . . . . 3 ARG N . 17514 1 5 . 1 1 5 5 ILE H H 1 7.849 0.020 . 1 . . . . 4 ILE H . 17514 1 6 . 1 1 5 5 ILE CA C 13 65.354 0.3 . 1 . . . . 4 ILE CA . 17514 1 7 . 1 1 5 5 ILE CB C 13 37.477 0.3 . 1 . . . . 4 ILE CB . 17514 1 8 . 1 1 5 5 ILE N N 15 118.346 0.3 . 1 . . . . 4 ILE N . 17514 1 9 . 1 1 6 6 ALA H H 1 7.880 0.020 . 1 . . . . 5 ALA H . 17514 1 10 . 1 1 6 6 ALA CA C 13 55.062 0.3 . 1 . . . . 5 ALA CA . 17514 1 11 . 1 1 6 6 ALA CB C 13 18.204 0.3 . 1 . . . . 5 ALA CB . 17514 1 12 . 1 1 6 6 ALA N N 15 121.869 0.3 . 1 . . . . 5 ALA N . 17514 1 13 . 1 1 7 7 ARG H H 1 8.054 0.020 . 1 . . . . 6 ARG H . 17514 1 14 . 1 1 7 7 ARG CA C 13 58.968 0.3 . 1 . . . . 6 ARG CA . 17514 1 15 . 1 1 7 7 ARG CB C 13 30.218 0.3 . 1 . . . . 6 ARG CB . 17514 1 16 . 1 1 7 7 ARG N N 15 117.326 0.3 . 1 . . . . 6 ARG N . 17514 1 17 . 1 1 8 8 LEU H H 1 8.113 0.020 . 1 . . . . 7 LEU H . 17514 1 18 . 1 1 8 8 LEU CA C 13 58.066 0.3 . 1 . . . . 7 LEU CA . 17514 1 19 . 1 1 8 8 LEU CB C 13 43.482 0.3 . 1 . . . . 7 LEU CB . 17514 1 20 . 1 1 8 8 LEU N N 15 121.952 0.3 . 1 . . . . 7 LEU N . 17514 1 21 . 1 1 9 9 GLU H H 1 8.887 0.020 . 1 . . . . 8 GLU H . 17514 1 22 . 1 1 9 9 GLU CA C 13 60.057 0.3 . 1 . . . . 8 GLU CA . 17514 1 23 . 1 1 9 9 GLU CB C 13 29.379 0.3 . 1 . . . . 8 GLU CB . 17514 1 24 . 1 1 9 9 GLU N N 15 119.055 0.3 . 1 . . . . 8 GLU N . 17514 1 25 . 1 1 10 10 GLU H H 1 7.994 0.020 . 1 . . . . 9 GLU H . 17514 1 26 . 1 1 10 10 GLU CA C 13 59.112 0.3 . 1 . . . . 9 GLU CA . 17514 1 27 . 1 1 10 10 GLU CB C 13 29.291 0.3 . 1 . . . . 9 GLU CB . 17514 1 28 . 1 1 10 10 GLU N N 15 120.245 0.3 . 1 . . . . 9 GLU N . 17514 1 29 . 1 1 11 11 LYS H H 1 7.983 0.020 . 1 . . . . 10 LYS H . 17514 1 30 . 1 1 11 11 LYS CA C 13 59.030 0.3 . 1 . . . . 10 LYS CA . 17514 1 31 . 1 1 11 11 LYS CB C 13 31.936 0.3 . 1 . . . . 10 LYS CB . 17514 1 32 . 1 1 11 11 LYS N N 15 122.178 0.3 . 1 . . . . 10 LYS N . 17514 1 33 . 1 1 12 12 VAL H H 1 8.439 0.020 . 1 . . . . 11 VAL H . 17514 1 34 . 1 1 12 12 VAL CA C 13 67.397 0.3 . 1 . . . . 11 VAL CA . 17514 1 35 . 1 1 12 12 VAL CB C 13 31.753 0.3 . 1 . . . . 11 VAL CB . 17514 1 36 . 1 1 12 12 VAL N N 15 119.042 0.3 . 1 . . . . 11 VAL N . 17514 1 37 . 1 1 13 13 LYS H H 1 7.782 0.020 . 1 . . . . 12 LYS H . 17514 1 38 . 1 1 13 13 LYS CA C 13 60.328 0.3 . 1 . . . . 12 LYS CA . 17514 1 39 . 1 1 13 13 LYS CB C 13 32.505 0.3 . 1 . . . . 12 LYS CB . 17514 1 40 . 1 1 13 13 LYS N N 15 119.034 0.3 . 1 . . . . 12 LYS N . 17514 1 41 . 1 1 14 14 THR H H 1 8.513 0.020 . 1 . . . . 13 THR H . 17514 1 42 . 1 1 14 14 THR CA C 13 66.417 0.3 . 1 . . . . 13 THR CA . 17514 1 43 . 1 1 14 14 THR CB C 13 68.789 0.3 . 1 . . . . 13 THR CB . 17514 1 44 . 1 1 14 14 THR N N 15 117.100 0.3 . 1 . . . . 13 THR N . 17514 1 45 . 1 1 15 15 LEU H H 1 8.700 0.020 . 1 . . . . 14 LEU H . 17514 1 46 . 1 1 15 15 LEU CA C 13 58.094 0.3 . 1 . . . . 14 LEU CA . 17514 1 47 . 1 1 15 15 LEU CB C 13 43.431 0.3 . 1 . . . . 14 LEU CB . 17514 1 48 . 1 1 15 15 LEU N N 15 123.428 0.3 . 1 . . . . 14 LEU N . 17514 1 49 . 1 1 16 16 LYS H H 1 8.877 0.020 . 1 . . . . 15 LYS H . 17514 1 50 . 1 1 16 16 LYS CA C 13 60.170 0.3 . 1 . . . . 15 LYS CA . 17514 1 51 . 1 1 16 16 LYS CB C 13 32.316 0.3 . 1 . . . . 15 LYS CB . 17514 1 52 . 1 1 16 16 LYS N N 15 120.512 0.3 . 1 . . . . 15 LYS N . 17514 1 53 . 1 1 17 17 ALA H H 1 7.776 0.020 . 1 . . . . 16 ALA H . 17514 1 54 . 1 1 17 17 ALA CA C 13 55.230 0.3 . 1 . . . . 16 ALA CA . 17514 1 55 . 1 1 17 17 ALA CB C 13 17.754 0.3 . 1 . . . . 16 ALA CB . 17514 1 56 . 1 1 17 17 ALA N N 15 123.042 0.3 . 1 . . . . 16 ALA N . 17514 1 57 . 1 1 18 18 GLN H H 1 8.425 0.020 . 1 . . . . 17 GLN H . 17514 1 58 . 1 1 18 18 GLN CA C 13 58.812 0.3 . 1 . . . . 17 GLN CA . 17514 1 59 . 1 1 18 18 GLN CB C 13 28.473 0.3 . 1 . . . . 17 GLN CB . 17514 1 60 . 1 1 18 18 GLN N N 15 119.596 0.3 . 1 . . . . 17 GLN N . 17514 1 61 . 1 1 19 19 ASN H H 1 8.870 0.020 . 1 . . . . 18 ASN H . 17514 1 62 . 1 1 19 19 ASN CA C 13 57.079 0.3 . 1 . . . . 18 ASN CA . 17514 1 63 . 1 1 19 19 ASN CB C 13 38.488 0.3 . 1 . . . . 18 ASN CB . 17514 1 64 . 1 1 19 19 ASN N N 15 120.639 0.3 . 1 . . . . 18 ASN N . 17514 1 65 . 1 1 20 20 SER H H 1 8.158 0.020 . 1 . . . . 19 SER H . 17514 1 66 . 1 1 20 20 SER CA C 13 61.720 0.3 . 1 . . . . 19 SER CA . 17514 1 67 . 1 1 20 20 SER CB C 13 62.555 0.3 . 1 . . . . 19 SER CB . 17514 1 68 . 1 1 20 20 SER N N 15 115.190 0.3 . 1 . . . . 19 SER N . 17514 1 69 . 1 1 21 21 GLU H H 1 7.830 0.020 . 1 . . . . 20 GLU H . 17514 1 70 . 1 1 21 21 GLU CA C 13 59.463 0.3 . 1 . . . . 20 GLU CA . 17514 1 71 . 1 1 21 21 GLU CB C 13 29.526 0.3 . 1 . . . . 20 GLU CB . 17514 1 72 . 1 1 21 21 GLU N N 15 122.990 0.3 . 1 . . . . 20 GLU N . 17514 1 73 . 1 1 22 22 LEU H H 1 8.631 0.020 . 1 . . . . 21 LEU H . 17514 1 74 . 1 1 22 22 LEU CA C 13 57.975 0.3 . 1 . . . . 21 LEU CA . 17514 1 75 . 1 1 22 22 LEU CB C 13 43.752 0.3 . 1 . . . . 21 LEU CB . 17514 1 76 . 1 1 22 22 LEU N N 15 121.585 0.3 . 1 . . . . 21 LEU N . 17514 1 77 . 1 1 23 23 ALA H H 1 8.730 0.020 . 1 . . . . 22 ALA H . 17514 1 78 . 1 1 23 23 ALA CA C 13 55.324 0.3 . 1 . . . . 22 ALA CA . 17514 1 79 . 1 1 23 23 ALA CB C 13 17.810 0.3 . 1 . . . . 22 ALA CB . 17514 1 80 . 1 1 23 23 ALA N N 15 122.822 0.3 . 1 . . . . 22 ALA N . 17514 1 81 . 1 1 24 24 SER H H 1 8.053 0.020 . 1 . . . . 23 SER H . 17514 1 82 . 1 1 24 24 SER CA C 13 61.624 0.3 . 1 . . . . 23 SER CA . 17514 1 83 . 1 1 24 24 SER CB C 13 62.388 0.3 . 1 . . . . 23 SER CB . 17514 1 84 . 1 1 24 24 SER N N 15 114.788 0.3 . 1 . . . . 23 SER N . 17514 1 85 . 1 1 25 25 THR H H 1 8.580 0.020 . 1 . . . . 24 THR H . 17514 1 86 . 1 1 25 25 THR CA C 13 66.978 0.3 . 1 . . . . 24 THR CA . 17514 1 87 . 1 1 25 25 THR CB C 13 68.497 0.3 . 1 . . . . 24 THR CB . 17514 1 88 . 1 1 25 25 THR N N 15 121.117 0.3 . 1 . . . . 24 THR N . 17514 1 89 . 1 1 26 26 ALA H H 1 8.565 0.020 . 1 . . . . 25 ALA H . 17514 1 90 . 1 1 26 26 ALA CA C 13 55.891 0.3 . 1 . . . . 25 ALA CA . 17514 1 91 . 1 1 26 26 ALA CB C 13 17.170 0.3 . 1 . . . . 25 ALA CB . 17514 1 92 . 1 1 26 26 ALA N N 15 122.972 0.3 . 1 . . . . 25 ALA N . 17514 1 93 . 1 1 27 27 ASN H H 1 8.124 0.020 . 1 . . . . 26 ASN H . 17514 1 94 . 1 1 27 27 ASN CA C 13 56.519 0.3 . 1 . . . . 26 ASN CA . 17514 1 95 . 1 1 27 27 ASN CB C 13 38.125 0.3 . 1 . . . . 26 ASN CB . 17514 1 96 . 1 1 27 27 ASN N N 15 116.161 0.3 . 1 . . . . 26 ASN N . 17514 1 97 . 1 1 28 28 MET H H 1 8.147 0.020 . 1 . . . . 27 MET H . 17514 1 98 . 1 1 28 28 MET CA C 13 56.557 0.3 . 1 . . . . 27 MET CA . 17514 1 99 . 1 1 28 28 MET CB C 13 31.968 0.3 . 1 . . . . 27 MET CB . 17514 1 100 . 1 1 28 28 MET N N 15 121.229 0.3 . 1 . . . . 27 MET N . 17514 1 101 . 1 1 29 29 LEU H H 1 8.472 0.020 . 1 . . . . 28 LEU H . 17514 1 102 . 1 1 29 29 LEU CA C 13 57.885 0.3 . 1 . . . . 28 LEU CA . 17514 1 103 . 1 1 29 29 LEU CB C 13 43.534 0.3 . 1 . . . . 28 LEU CB . 17514 1 104 . 1 1 29 29 LEU N N 15 121.619 0.3 . 1 . . . . 28 LEU N . 17514 1 105 . 1 1 30 30 ARG H H 1 8.679 0.020 . 1 . . . . 29 ARG H . 17514 1 106 . 1 1 30 30 ARG CA C 13 60.657 0.3 . 1 . . . . 29 ARG CA . 17514 1 107 . 1 1 30 30 ARG CB C 13 29.958 0.3 . 1 . . . . 29 ARG CB . 17514 1 108 . 1 1 30 30 ARG N N 15 119.919 0.3 . 1 . . . . 29 ARG N . 17514 1 109 . 1 1 31 31 GLU H H 1 7.783 0.020 . 1 . . . . 30 GLU H . 17514 1 110 . 1 1 31 31 GLU CA C 13 59.103 0.3 . 1 . . . . 30 GLU CA . 17514 1 111 . 1 1 31 31 GLU CB C 13 29.116 0.3 . 1 . . . . 30 GLU CB . 17514 1 112 . 1 1 31 31 GLU N N 15 120.277 0.3 . 1 . . . . 30 GLU N . 17514 1 113 . 1 1 32 32 GLN H H 1 7.989 0.020 . 1 . . . . 31 GLN H . 17514 1 114 . 1 1 32 32 GLN CA C 13 59.360 0.3 . 1 . . . . 31 GLN CA . 17514 1 115 . 1 1 32 32 GLN CB C 13 28.431 0.3 . 1 . . . . 31 GLN CB . 17514 1 116 . 1 1 32 32 GLN N N 15 120.756 0.3 . 1 . . . . 31 GLN N . 17514 1 117 . 1 1 33 33 VAL H H 1 8.600 0.020 . 1 . . . . 32 VAL H . 17514 1 118 . 1 1 33 33 VAL CA C 13 67.481 0.3 . 1 . . . . 32 VAL CA . 17514 1 119 . 1 1 33 33 VAL CB C 13 31.797 0.3 . 1 . . . . 32 VAL CB . 17514 1 120 . 1 1 33 33 VAL N N 15 119.789 0.3 . 1 . . . . 32 VAL N . 17514 1 121 . 1 1 34 34 ALA H H 1 7.746 0.020 . 1 . . . . 33 ALA H . 17514 1 122 . 1 1 34 34 ALA C C 13 180.940 0.3 . 1 . . . . 33 ALA C . 17514 1 123 . 1 1 34 34 ALA CA C 13 55.387 0.3 . 1 . . . . 33 ALA CA . 17514 1 124 . 1 1 34 34 ALA CB C 13 17.856 0.3 . 1 . . . . 33 ALA CB . 17514 1 125 . 1 1 34 34 ALA N N 15 120.235 0.3 . 1 . . . . 33 ALA N . 17514 1 126 . 1 1 35 35 GLN H H 1 8.047 0.020 . 1 . . . . 34 GLN H . 17514 1 127 . 1 1 35 35 GLN C C 13 179.492 0.3 . 1 . . . . 34 GLN C . 17514 1 128 . 1 1 35 35 GLN CA C 13 58.650 0.3 . 1 . . . . 34 GLN CA . 17514 1 129 . 1 1 35 35 GLN CB C 13 28.504 0.3 . 1 . . . . 34 GLN CB . 17514 1 130 . 1 1 35 35 GLN N N 15 117.037 0.3 . 1 . . . . 34 GLN N . 17514 1 131 . 1 1 36 36 LEU H H 1 8.370 0.020 . 1 . . . . 35 LEU H . 17514 1 132 . 1 1 36 36 LEU CA C 13 57.870 0.3 . 1 . . . . 35 LEU CA . 17514 1 133 . 1 1 36 36 LEU CB C 13 43.293 0.3 . 1 . . . . 35 LEU CB . 17514 1 134 . 1 1 36 36 LEU N N 15 121.134 0.3 . 1 . . . . 35 LEU N . 17514 1 135 . 1 1 37 37 LYS H H 1 8.529 0.020 . 1 . . . . 36 LYS H . 17514 1 136 . 1 1 37 37 LYS CA C 13 59.726 0.3 . 1 . . . . 36 LYS CA . 17514 1 137 . 1 1 37 37 LYS CB C 13 32.523 0.3 . 1 . . . . 36 LYS CB . 17514 1 138 . 1 1 37 37 LYS N N 15 118.322 0.3 . 1 . . . . 36 LYS N . 17514 1 139 . 1 1 38 38 GLN H H 1 7.436 0.020 . 1 . . . . 37 GLN H . 17514 1 140 . 1 1 38 38 GLN CA C 13 57.663 0.3 . 1 . . . . 37 GLN CA . 17514 1 141 . 1 1 38 38 GLN CB C 13 28.732 0.3 . 1 . . . . 37 GLN CB . 17514 1 142 . 1 1 38 38 GLN N N 15 116.289 0.3 . 1 . . . . 37 GLN N . 17514 1 143 . 1 1 39 39 LYS H H 1 7.743 0.020 . 1 . . . . 38 LYS H . 17514 1 144 . 1 1 39 39 LYS CA C 13 57.393 0.3 . 1 . . . . 38 LYS CA . 17514 1 145 . 1 1 39 39 LYS CB C 13 33.056 0.3 . 1 . . . . 38 LYS CB . 17514 1 146 . 1 1 39 39 LYS N N 15 118.702 0.3 . 1 . . . . 38 LYS N . 17514 1 147 . 1 1 40 40 VAL H H 1 7.746 0.020 . 1 . . . . 39 VAL H . 17514 1 148 . 1 1 40 40 VAL CA C 13 63.011 0.3 . 1 . . . . 39 VAL CA . 17514 1 149 . 1 1 40 40 VAL CB C 13 32.321 0.3 . 1 . . . . 39 VAL CB . 17514 1 150 . 1 1 40 40 VAL N N 15 118.232 0.3 . 1 . . . . 39 VAL N . 17514 1 151 . 1 1 41 41 MET H H 1 8.261 0.020 . 1 . . . . 40 MET H . 17514 1 152 . 1 1 41 41 MET CA C 13 55.749 0.3 . 1 . . . . 40 MET CA . 17514 1 153 . 1 1 41 41 MET CB C 13 32.610 0.3 . 1 . . . . 40 MET CB . 17514 1 154 . 1 1 41 41 MET N N 15 123.294 0.3 . 1 . . . . 40 MET N . 17514 1 155 . 1 1 42 42 ASN H H 1 8.000 0.020 . 1 . . . . 41 ASN H . 17514 1 156 . 1 1 42 42 ASN CA C 13 53.155 0.3 . 1 . . . . 41 ASN CA . 17514 1 157 . 1 1 42 42 ASN CB C 13 39.076 0.3 . 1 . . . . 41 ASN CB . 17514 1 158 . 1 1 42 42 ASN N N 15 125.241 0.3 . 1 . . . . 41 ASN N . 17514 1 stop_ save_