data_7035 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7035 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 ; Structure insight into Binding diversity of SH3 domain of human NCK2 adaptor protein ; 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of SH3 domain ; 7035 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7035 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for 2nd SH3 domain of human NCK2 adaptor protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-29 _Entry.Accession_date 2006-03-29 _Entry.Last_release_date 2007-09-24 _Entry.Original_release_date 2007-09-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Jingxian Liu . . Sr. 7035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7035 heteronucl_T1_relaxation 1 7035 heteronucl_T2_relaxation 1 7035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 99 7035 '15N chemical shifts' 53 7035 '1H chemical shifts' 311 7035 'T1 relaxation values' 63 7035 'T2 relaxation values' 63 7035 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-09-24 2006-03-29 original author . 7035 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FRW 'BMRB Entry Tracking System' 7035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16752908 _Citation.Full_citation . _Citation.Title ; Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 23 _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 7171 _Citation.Page_last 7184 _Citation.Year 2006 _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 Jingxian Liu . . Sr. 7035 1 2 Minfen Li . . . 7035 1 3 Xiaoyuan Ran . . Sr. 7035 1 4 Jing-song Fan . . . 7035 1 5 Jianxing Song . . Sr. 7035 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7035 1 SH3 7035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7035 _Assembly.ID 1 _Assembly.Name 'NCK2 2nd SH3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 6559 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7035 1 stop_ 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 'NCK2 2nd SH3' 1 $NCK2_2nd_SH3 . . yes native no no . . . 7035 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2FRW . . NMR . 'solution structure' . 7035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NCK2_2nd_SH3 _Entity.Sf_category entity _Entity.Sf_framecode NCK2_2nd_SH3 _Entity.Entry_ID 7035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NCK2 2nd SH3' _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 ; IPAFVKFAYVAEREDELSLV KGSRVTVMEKCSDGWWRGSY NGQIGWFPSNYVLEEVD ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6559 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FRW . "Solution Structure Of The Second Sh3 Domain Of Human Adaptor Protein Nck2" . . . . . 100.00 57 100.00 100.00 3.23e-33 . . . . 7035 1 2 no DBJ BAI47129 . "NCK adaptor protein 2 [synthetic construct]" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 3 no GB AAC04831 . "SH2/SH3 adaptor protein NCK-beta [Homo sapiens]" . . . . . 100.00 381 100.00 100.00 1.71e-31 . . . . 7035 1 4 no GB AAC80284 . "Nck-2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 1.75e-31 . . . . 7035 1 5 no GB AAH00103 . "NCK adaptor protein 2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 6 no GB AAH07195 . "NCK adaptor protein 2 [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 7 no GB AAY24332 . "unknown [Homo sapiens]" . . . . . 100.00 304 100.00 100.00 5.52e-32 . . . . 7035 1 8 no REF NP_001004720 . "cytoplasmic protein NCK2 isoform A [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 9 no REF NP_003572 . "cytoplasmic protein NCK2 isoform A [Homo sapiens]" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 10 no REF XP_001109452 . "PREDICTED: cytoplasmic protein NCK2 isoform 1 [Macaca mulatta]" . . . . . 100.00 382 100.00 100.00 1.71e-31 . . . . 7035 1 11 no REF XP_001109500 . "PREDICTED: cytoplasmic protein NCK2 isoform 2 [Macaca mulatta]" . . . . . 100.00 382 100.00 100.00 1.71e-31 . . . . 7035 1 12 no REF XP_001488099 . "PREDICTED: cytoplasmic protein NCK2 isoform X1 [Equus caballus]" . . . . . 100.00 380 100.00 100.00 1.95e-31 . . . . 7035 1 13 no SP O43639 . "RecName: Full=Cytoplasmic protein NCK2; AltName: Full=Growth factor receptor-bound protein 4; AltName: Full=NCK adaptor protein" . . . . . 100.00 380 100.00 100.00 1.77e-31 . . . . 7035 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'modular domain' 7035 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GRB4 . 7035 1 NCK2 . 7035 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID NCK2 . 7035 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'NCK2 SH3' 7035 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 . ILE . 7035 1 2 . PRO . 7035 1 3 . ALA . 7035 1 4 . PHE . 7035 1 5 . VAL . 7035 1 6 . LYS . 7035 1 7 . PHE . 7035 1 8 . ALA . 7035 1 9 . TYR . 7035 1 10 . VAL . 7035 1 11 . ALA . 7035 1 12 . GLU . 7035 1 13 . ARG . 7035 1 14 . GLU . 7035 1 15 . ASP . 7035 1 16 . GLU . 7035 1 17 . LEU . 7035 1 18 . SER . 7035 1 19 . LEU . 7035 1 20 . VAL . 7035 1 21 . LYS . 7035 1 22 . GLY . 7035 1 23 . SER . 7035 1 24 . ARG . 7035 1 25 . VAL . 7035 1 26 . THR . 7035 1 27 . VAL . 7035 1 28 . MET . 7035 1 29 . GLU . 7035 1 30 . LYS . 7035 1 31 . CYS . 7035 1 32 . SER . 7035 1 33 . ASP . 7035 1 34 . GLY . 7035 1 35 . TRP . 7035 1 36 . TRP . 7035 1 37 . ARG . 7035 1 38 . GLY . 7035 1 39 . SER . 7035 1 40 . TYR . 7035 1 41 . ASN . 7035 1 42 . GLY . 7035 1 43 . GLN . 7035 1 44 . ILE . 7035 1 45 . GLY . 7035 1 46 . TRP . 7035 1 47 . PHE . 7035 1 48 . PRO . 7035 1 49 . SER . 7035 1 50 . ASN . 7035 1 51 . TYR . 7035 1 52 . VAL . 7035 1 53 . LEU . 7035 1 54 . GLU . 7035 1 55 . GLU . 7035 1 56 . VAL . 7035 1 57 . ASP . 7035 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 . ILE 1 1 7035 1 . PRO 2 2 7035 1 . ALA 3 3 7035 1 . PHE 4 4 7035 1 . VAL 5 5 7035 1 . LYS 6 6 7035 1 . PHE 7 7 7035 1 . ALA 8 8 7035 1 . TYR 9 9 7035 1 . VAL 10 10 7035 1 . ALA 11 11 7035 1 . GLU 12 12 7035 1 . ARG 13 13 7035 1 . GLU 14 14 7035 1 . ASP 15 15 7035 1 . GLU 16 16 7035 1 . LEU 17 17 7035 1 . SER 18 18 7035 1 . LEU 19 19 7035 1 . VAL 20 20 7035 1 . LYS 21 21 7035 1 . GLY 22 22 7035 1 . SER 23 23 7035 1 . ARG 24 24 7035 1 . VAL 25 25 7035 1 . THR 26 26 7035 1 . VAL 27 27 7035 1 . MET 28 28 7035 1 . GLU 29 29 7035 1 . LYS 30 30 7035 1 . CYS 31 31 7035 1 . SER 32 32 7035 1 . ASP 33 33 7035 1 . GLY 34 34 7035 1 . TRP 35 35 7035 1 . TRP 36 36 7035 1 . ARG 37 37 7035 1 . GLY 38 38 7035 1 . SER 39 39 7035 1 . TYR 40 40 7035 1 . ASN 41 41 7035 1 . GLY 42 42 7035 1 . GLN 43 43 7035 1 . ILE 44 44 7035 1 . GLY 45 45 7035 1 . TRP 46 46 7035 1 . PHE 47 47 7035 1 . PRO 48 48 7035 1 . SER 49 49 7035 1 . ASN 50 50 7035 1 . TYR 51 51 7035 1 . VAL 52 52 7035 1 . LEU 53 53 7035 1 . GLU 54 54 7035 1 . GLU 55 55 7035 1 . VAL 56 56 7035 1 . ASP 57 57 7035 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 7035 _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 $NCK2_2nd_SH3 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7035 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 7035 _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 $NCK2_2nd_SH3 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7035 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NCK2 2nd SH3' '[U-95% 15N]' . . 1 $NCK2_2nd_SH3 . protein 1.4 0.5 2 mM 0.1 . . . 7035 1 2 phosphate . . . . . . buffer 20 10 30 mM 2 . . . 7035 1 3 DTT . . . . . . salt 10 5 20 mM 2 . . . 7035 1 4 D2O . . . . . . buffer 10 5 15 % 2 . . . 7035 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7035 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NCK2 2nd SH3' '[U-95% 13C; U-95% 15N]' . . 1 $NCK2_2nd_SH3 . protein 1.4 0.5 2 mM 0.1 . . . 7035 2 2 phosphate . . . . . . buffer 20 10 30 mM 2 . . . 7035 2 3 DTT . . . . . . salt 10 5 20 mM 2 . . . 7035 2 4 D2O . . . . . . buffer 70 5 15 % 2 . . . 7035 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7035 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N15,C13 label' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NCK2 2nd SH3' '[U-95% 13C; U-95% 15N]' . . 1 $NCK2_2nd_SH3 . protein 1.4 0.5 2 mM 0.1 . . . 7035 3 2 phosphate . . . . . . buffer 20 10 30 mM 2 . . . 7035 3 3 DTT . . . . . . salt 10 5 20 mM 2 . . . 7035 3 4 D2O . . . . . . buffer 10 5 15 % 2 . . . 7035 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7035 _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 6.8 0.1 pH 7035 1 temperature 298 . K 7035 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7035 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw data processing' 7035 1 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 7035 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 7035 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7035 _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 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 2 HSQC-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 3 HSQC-NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 4 HNCACB/CBCANH no . . . . . . . . . . 3 $sample_3 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 5 'HCCH TOCSY/HCCH NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 6 T1/T2/HetNOE no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7035 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7035 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7035 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7035 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7035 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 1 $sample_1 isotropic 7035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRview . . 7035 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 ILE H H 1 8.328 0.005 . . . . . . 1 ILE HN . 7035 1 2 . 1 1 1 1 ILE HA H 1 4.669 0.005 . . . . . . 1 ILE HA . 7035 1 3 . 1 1 1 1 ILE HB H 1 1.775 0.005 . . . . . . 1 ILE HB . 7035 1 4 . 1 1 1 1 ILE HG12 H 1 1.1 0.005 . . . . . . 1 ILE HG1 . 7035 1 5 . 1 1 1 1 ILE HG13 H 1 1.1 0.005 . . . . . . 1 ILE HG1 . 7035 1 6 . 1 1 1 1 ILE HG21 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 7 . 1 1 1 1 ILE HG22 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 8 . 1 1 1 1 ILE HG23 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 9 . 1 1 1 1 ILE HD11 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 10 . 1 1 1 1 ILE HD12 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 11 . 1 1 1 1 ILE HD13 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 12 . 1 1 1 1 ILE CA C 13 55.93 0.01 . . . . . . 1 ILE CA . 7035 1 13 . 1 1 1 1 ILE CB C 13 39.428 0.01 . . . . . . 1 ILE CB . 7035 1 14 . 1 1 1 1 ILE N N 15 122.578 0.01 . . . . . . 1 ILE N . 7035 1 15 . 1 1 3 3 ALA H H 1 8.796 0.005 . . . . . . 3 ALA HN . 7035 1 16 . 1 1 3 3 ALA HA H 1 5.003 0.005 . . . . . . 3 ALA HA . 7035 1 17 . 1 1 3 3 ALA HB1 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 18 . 1 1 3 3 ALA HB2 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 19 . 1 1 3 3 ALA HB3 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 20 . 1 1 3 3 ALA N N 15 121.289 0.01 . . . . . . 3 ALA N . 7035 1 21 . 1 1 4 4 PHE H H 1 8.885 0.005 . . . . . . 4 PHE HN . 7035 1 22 . 1 1 4 4 PHE HA H 1 4.983 0.005 . . . . . . 4 PHE HA . 7035 1 23 . 1 1 4 4 PHE HB2 H 1 3.063 0.005 . . . . . . 4 PHE HB1 . 7035 1 24 . 1 1 4 4 PHE HB3 H 1 2.294 0.005 . . . . . . 4 PHE HB2 . 7035 1 25 . 1 1 4 4 PHE CA C 13 54.489 0.01 . . . . . . 4 PHE CA . 7035 1 26 . 1 1 4 4 PHE CB C 13 40.076 0.01 . . . . . . 4 PHE CB . 7035 1 27 . 1 1 4 4 PHE N N 15 122.043 0.01 . . . . . . 4 PHE N . 7035 1 28 . 1 1 5 5 VAL H H 1 8.347 0.005 . . . . . . 5 VAL HN . 7035 1 29 . 1 1 5 5 VAL HA H 1 3.71 0.005 . . . . . . 5 VAL HA . 7035 1 30 . 1 1 5 5 VAL HB H 1 1.779 0.005 . . . . . . 5 VAL HB . 7035 1 31 . 1 1 5 5 VAL HG11 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 32 . 1 1 5 5 VAL HG12 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 33 . 1 1 5 5 VAL HG13 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 34 . 1 1 5 5 VAL HG21 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 35 . 1 1 5 5 VAL HG22 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 36 . 1 1 5 5 VAL HG23 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 37 . 1 1 5 5 VAL CA C 13 61.695 0.01 . . . . . . 5 VAL CA . 7035 1 38 . 1 1 5 5 VAL CB C 13 29.699 0.01 . . . . . . 5 VAL CB . 7035 1 39 . 1 1 5 5 VAL N N 15 125.347 0.01 . . . . . . 5 VAL N . 7035 1 40 . 1 1 6 6 LYS H H 1 8.529 0.005 . . . . . . 6 LYS HN . 7035 1 41 . 1 1 6 6 LYS HA H 1 3.871 0.005 . . . . . . 6 LYS HA . 7035 1 42 . 1 1 6 6 LYS HB2 H 1 1.107 0.005 . . . . . . 6 LYS HB2 . 7035 1 43 . 1 1 6 6 LYS HG2 H 1 1.017 0.005 . . . . . . 6 LYS HG2 . 7035 1 44 . 1 1 6 6 LYS HD2 H 1 0.999 0.005 . . . . . . 6 LYS HD1 . 7035 1 45 . 1 1 6 6 LYS HD3 H 1 0.999 0.005 . . . . . . 6 LYS HD2 . 7035 1 46 . 1 1 6 6 LYS CA C 13 55.425 0.01 . . . . . . 6 LYS CA . 7035 1 47 . 1 1 6 6 LYS CB C 13 31.717 0.01 . . . . . . 6 LYS CB . 7035 1 48 . 1 1 6 6 LYS N N 15 107.786 0.01 . . . . . . 6 LYS N . 7035 1 49 . 1 1 7 7 PHE H H 1 7.31 0.005 . . . . . . 7 PHE HN . 7035 1 50 . 1 1 7 7 PHE HA H 1 4.681 0.005 . . . . . . 7 PHE HA . 7035 1 51 . 1 1 7 7 PHE HB2 H 1 3.061 0.005 . . . . . . 7 PHE HB1 . 7035 1 52 . 1 1 7 7 PHE HB3 H 1 2.461 0.005 . . . . . . 7 PHE HB2 . 7035 1 53 . 1 1 7 7 PHE CA C 13 52.831 0.01 . . . . . . 7 PHE CA . 7035 1 54 . 1 1 7 7 PHE CB C 13 40.437 0.01 . . . . . . 7 PHE CB . 7035 1 55 . 1 1 7 7 PHE N N 15 114.832 0.01 . . . . . . 7 PHE N . 7035 1 56 . 1 1 8 8 ALA H H 1 8.269 0.005 . . . . . . 8 ALA HN . 7035 1 57 . 1 1 8 8 ALA HA H 1 3.969 0.005 . . . . . . 8 ALA HA . 7035 1 58 . 1 1 8 8 ALA HB1 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 59 . 1 1 8 8 ALA HB2 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 60 . 1 1 8 8 ALA HB3 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 61 . 1 1 8 8 ALA CA C 13 49.877 0.01 . . . . . . 8 ALA CA . 7035 1 62 . 1 1 8 8 ALA CB C 13 17.521 0.01 . . . . . . 8 ALA CB . 7035 1 63 . 1 1 8 8 ALA N N 15 120.069 0.01 . . . . . . 8 ALA N . 7035 1 64 . 1 1 9 9 TYR H H 1 8.117 0.005 . . . . . . 9 TYR HN . 7035 1 65 . 1 1 9 9 TYR HA H 1 4.797 0.005 . . . . . . 9 TYR HA . 7035 1 66 . 1 1 9 9 TYR HB2 H 1 2.806 0.005 . . . . . . 9 TYR HB1 . 7035 1 67 . 1 1 9 9 TYR HB3 H 1 2.403 0.005 . . . . . . 9 TYR HB2 . 7035 1 68 . 1 1 9 9 TYR CA C 13 55.498 0.01 . . . . . . 9 TYR CA . 7035 1 69 . 1 1 9 9 TYR CB C 13 40.653 0.01 . . . . . . 9 TYR CB . 7035 1 70 . 1 1 9 9 TYR N N 15 119.183 0.01 . . . . . . 9 TYR N . 7035 1 71 . 1 1 10 10 VAL H H 1 7.706 0.005 . . . . . . 10 VAL HN . 7035 1 72 . 1 1 10 10 VAL HA H 1 3.901 0.005 . . . . . . 10 VAL HA . 7035 1 73 . 1 1 10 10 VAL HB H 1 1.655 0.005 . . . . . . 10 VAL HB . 7035 1 74 . 1 1 10 10 VAL HG11 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 75 . 1 1 10 10 VAL HG12 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 76 . 1 1 10 10 VAL HG13 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 77 . 1 1 10 10 VAL HG21 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 78 . 1 1 10 10 VAL HG22 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 79 . 1 1 10 10 VAL HG23 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 80 . 1 1 10 10 VAL CA C 13 59.029 0.01 . . . . . . 10 VAL CA . 7035 1 81 . 1 1 10 10 VAL CB C 13 30.06 0.01 . . . . . . 10 VAL CB . 7035 1 82 . 1 1 10 10 VAL N N 15 107.779 0.01 . . . . . . 10 VAL N . 7035 1 83 . 1 1 11 11 ALA H H 1 8.147 0.005 . . . . . . 11 ALA HN . 7035 1 84 . 1 1 11 11 ALA HA H 1 4.128 0.005 . . . . . . 11 ALA HA . 7035 1 85 . 1 1 11 11 ALA HB1 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 86 . 1 1 11 11 ALA HB2 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 87 . 1 1 11 11 ALA HB3 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 88 . 1 1 11 11 ALA CA C 13 51.246 0.01 . . . . . . 11 ALA CA . 7035 1 89 . 1 1 11 11 ALA CB C 13 18.025 0.01 . . . . . . 11 ALA CB . 7035 1 90 . 1 1 11 11 ALA N N 15 127.767 0.01 . . . . . . 11 ALA N . 7035 1 91 . 1 1 12 12 GLU H H 1 8.809 0.005 . . . . . . 12 GLU HN . 7035 1 92 . 1 1 12 12 GLU HA H 1 4.37 0.005 . . . . . . 12 GLU HA . 7035 1 93 . 1 1 12 12 GLU HB2 H 1 2.202 0.005 . . . . . . 12 GLU HB1 . 7035 1 94 . 1 1 12 12 GLU HB3 H 1 2.078 0.005 . . . . . . 12 GLU HB2 . 7035 1 95 . 1 1 12 12 GLU HG2 H 1 2.52 0.005 . . . . . . 12 GLU HG1 . 7035 1 96 . 1 1 12 12 GLU HG3 H 1 2.313 0.005 . . . . . . 12 GLU HG2 . 7035 1 97 . 1 1 12 12 GLU CA C 13 54.128 0.01 . . . . . . 12 GLU CA . 7035 1 98 . 1 1 12 12 GLU CB C 13 29.915 0.01 . . . . . . 12 GLU CB . 7035 1 99 . 1 1 12 12 GLU N N 15 120.355 0.01 . . . . . . 12 GLU N . 7035 1 100 . 1 1 13 13 ARG H H 1 7.224 0.005 . . . . . . 13 ARG HN . 7035 1 101 . 1 1 13 13 ARG HA H 1 4.62 0.005 . . . . . . 13 ARG HA . 7035 1 102 . 1 1 13 13 ARG HB2 H 1 2.054 0.005 . . . . . . 13 ARG HB1 . 7035 1 103 . 1 1 13 13 ARG HB3 H 1 1.637 0.005 . . . . . . 13 ARG HB2 . 7035 1 104 . 1 1 13 13 ARG HG2 H 1 1.571 0.005 . . . . . . 13 ARG HG1 . 7035 1 105 . 1 1 13 13 ARG HG3 H 1 1.571 0.005 . . . . . . 13 ARG HG2 . 7035 1 106 . 1 1 13 13 ARG HD2 H 1 3.054 0.005 . . . . . . 13 ARG HD1 . 7035 1 107 . 1 1 13 13 ARG HD3 H 1 3.054 0.005 . . . . . . 13 ARG HD2 . 7035 1 108 . 1 1 13 13 ARG CA C 13 52.039 0.01 . . . . . . 13 ARG CA . 7035 1 109 . 1 1 13 13 ARG CB C 13 32.366 0.01 . . . . . . 13 ARG CB . 7035 1 110 . 1 1 13 13 ARG N N 15 115.427 0.01 . . . . . . 13 ARG N . 7035 1 111 . 1 1 14 14 GLU H H 1 9.035 0.005 . . . . . . 14 GLU HN . 7035 1 112 . 1 1 14 14 GLU HA H 1 4.771 0.005 . . . . . . 14 GLU HA . 7035 1 113 . 1 1 14 14 GLU HB2 H 1 2.101 0.005 . . . . . . 14 GLU HB1 . 7035 1 114 . 1 1 14 14 GLU HB3 H 1 2.101 0.005 . . . . . . 14 GLU HB2 . 7035 1 115 . 1 1 14 14 GLU CA C 13 57.083 0.01 . . . . . . 14 GLU CA . 7035 1 116 . 1 1 14 14 GLU CB C 13 27.465 0.01 . . . . . . 14 GLU CB . 7035 1 117 . 1 1 14 14 GLU N N 15 119.519 0.01 . . . . . . 14 GLU N . 7035 1 118 . 1 1 15 15 ASP H H 1 8.494 0.005 . . . . . . 15 ASP HN . 7035 1 119 . 1 1 15 15 ASP HA H 1 4.907 0.005 . . . . . . 15 ASP HA . 7035 1 120 . 1 1 15 15 ASP HB2 H 1 3.323 0.005 . . . . . . 15 ASP HB2 . 7035 1 121 . 1 1 15 15 ASP CA C 13 51.174 0.01 . . . . . . 15 ASP CA . 7035 1 122 . 1 1 15 15 ASP CB C 13 37.842 0.01 . . . . . . 15 ASP CB . 7035 1 123 . 1 1 15 15 ASP N N 15 115.313 0.01 . . . . . . 15 ASP N . 7035 1 124 . 1 1 16 16 GLU H H 1 7.618 0.005 . . . . . . 16 GLU HN . 7035 1 125 . 1 1 16 16 GLU HA H 1 5.566 0.005 . . . . . . 16 GLU HA . 7035 1 126 . 1 1 16 16 GLU HB2 H 1 2.405 0.005 . . . . . . 16 GLU HB1 . 7035 1 127 . 1 1 16 16 GLU HB3 H 1 2.405 0.005 . . . . . . 16 GLU HB2 . 7035 1 128 . 1 1 16 16 GLU HG2 H 1 2.598 0.005 . . . . . . 16 GLU HG1 . 7035 1 129 . 1 1 16 16 GLU HG3 H 1 2.519 0.005 . . . . . . 16 GLU HG2 . 7035 1 130 . 1 1 16 16 GLU CA C 13 53.336 0.01 . . . . . . 16 GLU CA . 7035 1 131 . 1 1 16 16 GLU CB C 13 31.285 0.01 . . . . . . 16 GLU CB . 7035 1 132 . 1 1 16 16 GLU N N 15 117.936 0.01 . . . . . . 16 GLU N . 7035 1 133 . 1 1 17 17 LEU H H 1 8.769 0.005 . . . . . . 17 LEU HN . 7035 1 134 . 1 1 17 17 LEU HA H 1 4.626 0.005 . . . . . . 17 LEU HA . 7035 1 135 . 1 1 17 17 LEU HB2 H 1 1.757 0.005 . . . . . . 17 LEU HB2 . 7035 1 136 . 1 1 17 17 LEU HG H 1 1.575 0.005 . . . . . . 17 LEU HG . 7035 1 137 . 1 1 17 17 LEU HD11 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 138 . 1 1 17 17 LEU HD12 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 139 . 1 1 17 17 LEU HD13 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 140 . 1 1 17 17 LEU HD21 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 141 . 1 1 17 17 LEU HD22 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 142 . 1 1 17 17 LEU HD23 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 143 . 1 1 17 17 LEU CA C 13 51.102 0.01 . . . . . . 17 LEU CA . 7035 1 144 . 1 1 17 17 LEU CB C 13 44.544 0.01 . . . . . . 17 LEU CB . 7035 1 145 . 1 1 17 17 LEU N N 15 124.801 0.01 . . . . . . 17 LEU N . 7035 1 146 . 1 1 18 18 SER H H 1 8.027 0.005 . . . . . . 18 SER HN . 7035 1 147 . 1 1 18 18 SER HA H 1 4.727 0.005 . . . . . . 18 SER HA . 7035 1 148 . 1 1 18 18 SER HB2 H 1 3.961 0.005 . . . . . . 18 SER HB1 . 7035 1 149 . 1 1 18 18 SER HB3 H 1 3.884 0.005 . . . . . . 18 SER HB2 . 7035 1 150 . 1 1 18 18 SER CA C 13 57.371 0.01 . . . . . . 18 SER CA . 7035 1 151 . 1 1 18 18 SER CB C 13 61.479 0.01 . . . . . . 18 SER CB . 7035 1 152 . 1 1 18 18 SER N N 15 118.761 0.01 . . . . . . 18 SER N . 7035 1 153 . 1 1 19 19 LEU H H 1 9.085 0.005 . . . . . . 19 LEU HN . 7035 1 154 . 1 1 19 19 LEU HA H 1 4.563 0.005 . . . . . . 19 LEU HA . 7035 1 155 . 1 1 19 19 LEU HB2 H 1 1.711 0.005 . . . . . . 19 LEU HB1 . 7035 1 156 . 1 1 19 19 LEU HB3 H 1 1.711 0.005 . . . . . . 19 LEU HB2 . 7035 1 157 . 1 1 19 19 LEU HD11 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 158 . 1 1 19 19 LEU HD12 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 159 . 1 1 19 19 LEU HD13 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 160 . 1 1 19 19 LEU HD21 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 161 . 1 1 19 19 LEU HD22 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 162 . 1 1 19 19 LEU HD23 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 163 . 1 1 19 19 LEU CA C 13 50.021 0.01 . . . . . . 19 LEU CA . 7035 1 164 . 1 1 19 19 LEU CB C 13 42.742 0.01 . . . . . . 19 LEU CB . 7035 1 165 . 1 1 19 19 LEU N N 15 121.673 0.01 . . . . . . 19 LEU N . 7035 1 166 . 1 1 20 20 VAL H H 1 8.598 0.005 . . . . . . 20 VAL HN . 7035 1 167 . 1 1 20 20 VAL HA H 1 4.474 0.005 . . . . . . 20 VAL HA . 7035 1 168 . 1 1 20 20 VAL HG11 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 169 . 1 1 20 20 VAL HG12 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 170 . 1 1 20 20 VAL HG13 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 171 . 1 1 20 20 VAL HG21 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 172 . 1 1 20 20 VAL HG22 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 173 . 1 1 20 20 VAL HG23 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 174 . 1 1 20 20 VAL CA C 13 58.596 0.01 . . . . . . 20 VAL CA . 7035 1 175 . 1 1 20 20 VAL CB C 13 30.78 0.01 . . . . . . 20 VAL CB . 7035 1 176 . 1 1 20 20 VAL N N 15 124.007 0.01 . . . . . . 20 VAL N . 7035 1 177 . 1 1 21 21 LYS H H 1 8.842 0.005 . . . . . . 21 LYS HN . 7035 1 178 . 1 1 21 21 LYS HA H 1 4.766 0.005 . . . . . . 21 LYS HA . 7035 1 179 . 1 1 21 21 LYS HB2 H 1 1.537 0.005 . . . . . . 21 LYS HB1 . 7035 1 180 . 1 1 21 21 LYS HB3 H 1 1.537 0.005 . . . . . . 21 LYS HB2 . 7035 1 181 . 1 1 21 21 LYS HG2 H 1 0.871 0.005 . . . . . . 21 LYS HG1 . 7035 1 182 . 1 1 21 21 LYS HG3 H 1 0.871 0.005 . . . . . . 21 LYS HG2 . 7035 1 183 . 1 1 21 21 LYS HD2 H 1 1.395 0.005 . . . . . . 21 LYS HD1 . 7035 1 184 . 1 1 21 21 LYS HD3 H 1 1.395 0.005 . . . . . . 21 LYS HD2 . 7035 1 185 . 1 1 21 21 LYS HE3 H 1 3.231 0.005 . . . . . . 21 LYS HE2 . 7035 1 186 . 1 1 21 21 LYS CA C 13 57.227 0.01 . . . . . . 21 LYS CA . 7035 1 187 . 1 1 21 21 LYS CB C 13 30.348 0.01 . . . . . . 21 LYS CB . 7035 1 188 . 1 1 21 21 LYS N N 15 108.804 0.01 . . . . . . 21 LYS N . 7035 1 189 . 1 1 22 22 GLY H H 1 8.522 0.005 . . . . . . 22 GLY HN . 7035 1 190 . 1 1 22 22 GLY HA2 H 1 4.137 0.005 . . . . . . 22 GLY HA1 . 7035 1 191 . 1 1 22 22 GLY HA3 H 1 3.47 0.005 . . . . . . 22 GLY HA2 . 7035 1 192 . 1 1 22 22 GLY CA C 13 43.031 0.01 . . . . . . 22 GLY CA . 7035 1 193 . 1 1 22 22 GLY N N 15 114.074 0.01 . . . . . . 22 GLY N . 7035 1 194 . 1 1 23 23 SER H H 1 7.377 0.005 . . . . . . 23 SER HN . 7035 1 195 . 1 1 23 23 SER HA H 1 4.503 0.005 . . . . . . 23 SER HA . 7035 1 196 . 1 1 23 23 SER HB2 H 1 3.97 0.005 . . . . . . 23 SER HB1 . 7035 1 197 . 1 1 23 23 SER HB3 H 1 3.56 0.005 . . . . . . 23 SER HB2 . 7035 1 198 . 1 1 23 23 SER CA C 13 55.714 0.01 . . . . . . 23 SER CA . 7035 1 199 . 1 1 23 23 SER CB C 13 63.713 0.01 . . . . . . 23 SER CB . 7035 1 200 . 1 1 23 23 SER N N 15 114.184 0.01 . . . . . . 23 SER N . 7035 1 201 . 1 1 24 24 ARG H H 1 8.124 0.005 . . . . . . 24 ARG HN . 7035 1 202 . 1 1 24 24 ARG HA H 1 5.303 0.005 . . . . . . 24 ARG HA . 7035 1 203 . 1 1 24 24 ARG HB2 H 1 1.712 0.005 . . . . . . 24 ARG HB1 . 7035 1 204 . 1 1 24 24 ARG HB3 H 1 1.712 0.005 . . . . . . 24 ARG HB2 . 7035 1 205 . 1 1 24 24 ARG HG2 H 1 1.516 0.005 . . . . . . 24 ARG HG1 . 7035 1 206 . 1 1 24 24 ARG HG3 H 1 1.516 0.005 . . . . . . 24 ARG HG2 . 7035 1 207 . 1 1 24 24 ARG HD2 H 1 3.162 0.005 . . . . . . 24 ARG HD1 . 7035 1 208 . 1 1 24 24 ARG HD3 H 1 3.162 0.005 . . . . . . 24 ARG HD2 . 7035 1 209 . 1 1 24 24 ARG CA C 13 52.543 0.01 . . . . . . 24 ARG CA . 7035 1 210 . 1 1 24 24 ARG CB C 13 30.636 0.01 . . . . . . 24 ARG CB . 7035 1 211 . 1 1 24 24 ARG N N 15 116.761 0.01 . . . . . . 24 ARG N . 7035 1 212 . 1 1 25 25 VAL H H 1 8.853 0.005 . . . . . . 25 VAL HN . 7035 1 213 . 1 1 25 25 VAL HA H 1 4.752 0.005 . . . . . . 25 VAL HA . 7035 1 214 . 1 1 25 25 VAL HB H 1 1.733 0.005 . . . . . . 25 VAL HB . 7035 1 215 . 1 1 25 25 VAL HG21 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 216 . 1 1 25 25 VAL HG22 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 217 . 1 1 25 25 VAL HG23 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 218 . 1 1 25 25 VAL CA C 13 57.371 0.01 . . . . . . 25 VAL CA . 7035 1 219 . 1 1 25 25 VAL CB C 13 32.798 0.01 . . . . . . 25 VAL CB . 7035 1 220 . 1 1 25 25 VAL N N 15 119.112 0.01 . . . . . . 25 VAL N . 7035 1 221 . 1 1 26 26 THR H H 1 8.4 0.005 . . . . . . 26 THR HN . 7035 1 222 . 1 1 26 26 THR HA H 1 4.589 0.005 . . . . . . 26 THR HA . 7035 1 223 . 1 1 26 26 THR HB H 1 4.196 0.005 . . . . . . 26 THR HB . 7035 1 224 . 1 1 26 26 THR HG21 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 225 . 1 1 26 26 THR HG22 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 226 . 1 1 26 26 THR HG23 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 227 . 1 1 26 26 THR CA C 13 60.11 0.01 . . . . . . 26 THR CA . 7035 1 228 . 1 1 26 26 THR CB C 13 67.532 0.01 . . . . . . 26 THR CB . 7035 1 229 . 1 1 26 26 THR N N 15 119.171 0.01 . . . . . . 26 THR N . 7035 1 230 . 1 1 27 27 VAL H H 1 9.666 0.005 . . . . . . 27 VAL HN . 7035 1 231 . 1 1 27 27 VAL HA H 1 3.971 0.005 . . . . . . 27 VAL HA . 7035 1 232 . 1 1 27 27 VAL HB H 1 2.218 0.005 . . . . . . 27 VAL HB . 7035 1 233 . 1 1 27 27 VAL HG11 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 234 . 1 1 27 27 VAL HG12 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 235 . 1 1 27 27 VAL HG13 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 236 . 1 1 27 27 VAL HG21 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 237 . 1 1 27 27 VAL HG22 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 238 . 1 1 27 27 VAL HG23 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 239 . 1 1 27 27 VAL CA C 13 62.271 0.01 . . . . . . 27 VAL CA . 7035 1 240 . 1 1 27 27 VAL CB C 13 30.132 0.01 . . . . . . 27 VAL CB . 7035 1 241 . 1 1 27 27 VAL N N 15 128.241 0.01 . . . . . . 27 VAL N . 7035 1 242 . 1 1 28 28 MET H H 1 9.284 0.005 . . . . . . 28 MET HN . 7035 1 243 . 1 1 28 28 MET HA H 1 4.544 0.005 . . . . . . 28 MET HA . 7035 1 244 . 1 1 28 28 MET HB2 H 1 1.466 0.005 . . . . . . 28 MET HB1 . 7035 1 245 . 1 1 28 28 MET HB3 H 1 1.466 0.005 . . . . . . 28 MET HB2 . 7035 1 246 . 1 1 28 28 MET HG2 H 1 2.499 0.005 . . . . . . 28 MET HG1 . 7035 1 247 . 1 1 28 28 MET HG3 H 1 2.328 0.005 . . . . . . 28 MET HG2 . 7035 1 248 . 1 1 28 28 MET CA C 13 54.345 0.01 . . . . . . 28 MET CA . 7035 1 249 . 1 1 28 28 MET CB C 13 34.239 0.01 . . . . . . 28 MET CB . 7035 1 250 . 1 1 28 28 MET N N 15 124.164 0.01 . . . . . . 28 MET N . 7035 1 251 . 1 1 29 29 GLU H H 1 7.699 0.005 . . . . . . 29 GLU HN . 7035 1 252 . 1 1 29 29 GLU HA H 1 4.541 0.005 . . . . . . 29 GLU HA . 7035 1 253 . 1 1 29 29 GLU HB2 H 1 1.776 0.005 . . . . . . 29 GLU HB1 . 7035 1 254 . 1 1 29 29 GLU HB3 H 1 1.776 0.005 . . . . . . 29 GLU HB2 . 7035 1 255 . 1 1 29 29 GLU HG2 H 1 2.012 0.005 . . . . . . 29 GLU HG1 . 7035 1 256 . 1 1 29 29 GLU HG3 H 1 2.1 0.005 . . . . . . 29 GLU HG2 . 7035 1 257 . 1 1 29 29 GLU CA C 13 53.408 0.01 . . . . . . 29 GLU CA . 7035 1 258 . 1 1 29 29 GLU CB C 13 31.861 0.01 . . . . . . 29 GLU CB . 7035 1 259 . 1 1 29 29 GLU N N 15 117.122 0.01 . . . . . . 29 GLU N . 7035 1 260 . 1 1 30 30 LYS H H 1 8.682 0.005 . . . . . . 30 LYS HN . 7035 1 261 . 1 1 30 30 LYS HA H 1 4.535 0.005 . . . . . . 30 LYS HA . 7035 1 262 . 1 1 30 30 LYS HB2 H 1 1.414 0.005 . . . . . . 30 LYS HB2 . 7035 1 263 . 1 1 30 30 LYS HG2 H 1 1.327 0.005 . . . . . . 30 LYS HG2 . 7035 1 264 . 1 1 30 30 LYS CA C 13 53.552 0.01 . . . . . . 30 LYS CA . 7035 1 265 . 1 1 30 30 LYS CB C 13 34.167 0.01 . . . . . . 30 LYS CB . 7035 1 266 . 1 1 30 30 LYS N N 15 121.591 0.01 . . . . . . 30 LYS N . 7035 1 267 . 1 1 31 31 CYS H H 1 8.325 0.005 . . . . . . 31 CYS HN . 7035 1 268 . 1 1 31 31 CYS HA H 1 5.058 0.005 . . . . . . 31 CYS HA . 7035 1 269 . 1 1 31 31 CYS HB2 H 1 3.593 0.005 . . . . . . 31 CYS HB1 . 7035 1 270 . 1 1 31 31 CYS HB3 H 1 3.349 0.005 . . . . . . 31 CYS HB2 . 7035 1 271 . 1 1 31 31 CYS CA C 13 55.93 0.01 . . . . . . 31 CYS CA . 7035 1 272 . 1 1 31 31 CYS CB C 13 27.898 0.01 . . . . . . 31 CYS CB . 7035 1 273 . 1 1 31 31 CYS N N 15 121.115 0.01 . . . . . . 31 CYS N . 7035 1 274 . 1 1 32 32 SER HA H 1 4.773 0.005 . . . . . . 32 SER HA . 7035 1 275 . 1 1 32 32 SER HB2 H 1 3.944 0.005 . . . . . . 32 SER HB2 . 7035 1 276 . 1 1 33 33 ASP H H 1 8.148 0.005 . . . . . . 33 ASP HN . 7035 1 277 . 1 1 33 33 ASP HA H 1 4.609 0.005 . . . . . . 33 ASP HA . 7035 1 278 . 1 1 33 33 ASP HB2 H 1 3.213 0.005 . . . . . . 33 ASP HB1 . 7035 1 279 . 1 1 33 33 ASP HB3 H 1 2.672 0.005 . . . . . . 33 ASP HB2 . 7035 1 280 . 1 1 33 33 ASP CA C 13 51.606 0.01 . . . . . . 33 ASP CA . 7035 1 281 . 1 1 33 33 ASP CB C 13 38.347 0.01 . . . . . . 33 ASP CB . 7035 1 282 . 1 1 33 33 ASP N N 15 121.47 0.01 . . . . . . 33 ASP N . 7035 1 283 . 1 1 34 34 GLY H H 1 8.074 0.005 . . . . . . 34 GLY HN . 7035 1 284 . 1 1 34 34 GLY HA2 H 1 3.627 0.005 . . . . . . 34 GLY HA1 . 7035 1 285 . 1 1 34 34 GLY HA3 H 1 4.277 0.005 . . . . . . 34 GLY HA2 . 7035 1 286 . 1 1 34 34 GLY CA C 13 42.815 0.01 . . . . . . 34 GLY CA . 7035 1 287 . 1 1 34 34 GLY N N 15 127.957 0.01 . . . . . . 34 GLY N . 7035 1 288 . 1 1 35 35 TRP H H 1 8.391 0.005 . . . . . . 35 TRP HN . 7035 1 289 . 1 1 35 35 TRP HA H 1 4.687 0.005 . . . . . . 35 TRP HA . 7035 1 290 . 1 1 35 35 TRP HB2 H 1 2.793 0.005 . . . . . . 35 TRP HB1 . 7035 1 291 . 1 1 35 35 TRP HB3 H 1 2.632 0.005 . . . . . . 35 TRP HB2 . 7035 1 292 . 1 1 35 35 TRP HD1 H 1 6.851 0.005 . . . . . . 35 TRP HD1 . 7035 1 293 . 1 1 35 35 TRP HE1 H 1 10.024 0.005 . . . . . . 35 TRP HE1 . 7035 1 294 . 1 1 35 35 TRP CA C 13 55.281 0.01 . . . . . . 35 TRP CA . 7035 1 295 . 1 1 35 35 TRP CB C 13 26.745 0.01 . . . . . . 35 TRP CB . 7035 1 296 . 1 1 35 35 TRP N N 15 123.635 0.01 . . . . . . 35 TRP N . 7035 1 297 . 1 1 36 36 TRP H H 1 8.752 0.005 . . . . . . 36 TRP HN . 7035 1 298 . 1 1 36 36 TRP HA H 1 4.626 0.005 . . . . . . 36 TRP HA . 7035 1 299 . 1 1 36 36 TRP HD1 H 1 7.364 0.005 . . . . . . 36 TRP HD1 . 7035 1 300 . 1 1 36 36 TRP HE1 H 1 10.467 0.005 . . . . . . 36 TRP HE1 . 7035 1 301 . 1 1 36 36 TRP CA C 13 50.597 0.01 . . . . . . 36 TRP CA . 7035 1 302 . 1 1 36 36 TRP CB C 13 31.861 0.01 . . . . . . 36 TRP CB . 7035 1 303 . 1 1 36 36 TRP N N 15 122.866 0.01 . . . . . . 36 TRP N . 7035 1 304 . 1 1 37 37 ARG H H 1 8.622 0.005 . . . . . . 37 ARG HN . 7035 1 305 . 1 1 37 37 ARG HA H 1 4.46 0.005 . . . . . . 37 ARG HA . 7035 1 306 . 1 1 37 37 ARG CA C 13 51.318 0.01 . . . . . . 37 ARG CA . 7035 1 307 . 1 1 37 37 ARG CB C 13 30.132 0.01 . . . . . . 37 ARG CB . 7035 1 308 . 1 1 37 37 ARG N N 15 121.34 0.01 . . . . . . 37 ARG N . 7035 1 309 . 1 1 38 38 GLY H H 1 8.988 0.005 . . . . . . 38 GLY HN . 7035 1 310 . 1 1 38 38 GLY HA2 H 1 4.82 0.005 . . . . . . 38 GLY HA1 . 7035 1 311 . 1 1 38 38 GLY HA3 H 1 4.167 0.005 . . . . . . 38 GLY HA2 . 7035 1 312 . 1 1 38 38 GLY CA C 13 44.328 0.01 . . . . . . 38 GLY CA . 7035 1 313 . 1 1 38 38 GLY N N 15 113.86 0.01 . . . . . . 38 GLY N . 7035 1 314 . 1 1 39 39 SER H H 1 8.972 0.005 . . . . . . 39 SER HN . 7035 1 315 . 1 1 39 39 SER HA H 1 5.84 0.005 . . . . . . 39 SER HA . 7035 1 316 . 1 1 39 39 SER HB2 H 1 3.706 0.005 . . . . . . 39 SER HB1 . 7035 1 317 . 1 1 39 39 SER HB3 H 1 3.613 0.005 . . . . . . 39 SER HB2 . 7035 1 318 . 1 1 39 39 SER CA C 13 53.624 0.01 . . . . . . 39 SER CA . 7035 1 319 . 1 1 39 39 SER CB C 13 64.938 0.01 . . . . . . 39 SER CB . 7035 1 320 . 1 1 39 39 SER N N 15 111.017 0.01 . . . . . . 39 SER N . 7035 1 321 . 1 1 40 40 TYR H H 1 8.888 0.005 . . . . . . 40 TYR HN . 7035 1 322 . 1 1 40 40 TYR HA H 1 4.82 0.005 . . . . . . 40 TYR HA . 7035 1 323 . 1 1 40 40 TYR HB2 H 1 3.16 0.005 . . . . . . 40 TYR HB1 . 7035 1 324 . 1 1 40 40 TYR HB3 H 1 2.773 0.005 . . . . . . 40 TYR HB2 . 7035 1 325 . 1 1 40 40 TYR CA C 13 55.786 0.01 . . . . . . 40 TYR CA . 7035 1 326 . 1 1 40 40 TYR CB C 13 39.428 0.01 . . . . . . 40 TYR CB . 7035 1 327 . 1 1 40 40 TYR N N 15 122.774 0.01 . . . . . . 40 TYR N . 7035 1 328 . 1 1 41 41 ASN H H 1 9.105 0.005 . . . . . . 41 ASN HN . 7035 1 329 . 1 1 41 41 ASN HA H 1 4.106 0.005 . . . . . . 41 ASN HA . 7035 1 330 . 1 1 41 41 ASN HB2 H 1 2.864 0.005 . . . . . . 41 ASN HB1 . 7035 1 331 . 1 1 41 41 ASN HB3 H 1 1.73 0.005 . . . . . . 41 ASN HB2 . 7035 1 332 . 1 1 41 41 ASN HD21 H 1 6.553 0.005 . . . . . . 41 ASN HD21 . 7035 1 333 . 1 1 41 41 ASN HD22 H 1 7.25 0.005 . . . . . . 41 ASN HD22 . 7035 1 334 . 1 1 41 41 ASN CA C 13 51.03 0.01 . . . . . . 41 ASN CA . 7035 1 335 . 1 1 41 41 ASN CB C 13 34.96 0.01 . . . . . . 41 ASN CB . 7035 1 336 . 1 1 41 41 ASN N N 15 128.431 0.01 . . . . . . 41 ASN N . 7035 1 337 . 1 1 42 42 GLY H H 1 8.585 0.005 . . . . . . 42 GLY HN . 7035 1 338 . 1 1 42 42 GLY HA2 H 1 4.122 0.005 . . . . . . 42 GLY HA1 . 7035 1 339 . 1 1 42 42 GLY HA3 H 1 3.528 0.005 . . . . . . 42 GLY HA2 . 7035 1 340 . 1 1 42 42 GLY CA C 13 43.103 0.01 . . . . . . 42 GLY CA . 7035 1 341 . 1 1 42 42 GLY N N 15 125.351 0.01 . . . . . . 42 GLY N . 7035 1 342 . 1 1 43 43 GLN H H 1 7.858 0.005 . . . . . . 43 GLN HN . 7035 1 343 . 1 1 43 43 GLN HA H 1 4.613 0.005 . . . . . . 43 GLN HA . 7035 1 344 . 1 1 43 43 GLN HB2 H 1 2.177 0.005 . . . . . . 43 GLN HB1 . 7035 1 345 . 1 1 43 43 GLN HB3 H 1 2.113 0.005 . . . . . . 43 GLN HB2 . 7035 1 346 . 1 1 43 43 GLN HG2 H 1 2.444 0.005 . . . . . . 43 GLN HG1 . 7035 1 347 . 1 1 43 43 GLN HG3 H 1 2.331 0.005 . . . . . . 43 GLN HG2 . 7035 1 348 . 1 1 43 43 GLN HE21 H 1 6.936 0.005 . . . . . . 43 GLN HE21 . 7035 1 349 . 1 1 43 43 GLN HE22 H 1 7.6 0.005 . . . . . . 43 GLN HE22 . 7035 1 350 . 1 1 43 43 GLN CA C 13 52.183 0.01 . . . . . . 43 GLN CA . 7035 1 351 . 1 1 43 43 GLN CB C 13 28.979 0.01 . . . . . . 43 GLN CB . 7035 1 352 . 1 1 43 43 GLN N N 15 120.581 0.01 . . . . . . 43 GLN N . 7035 1 353 . 1 1 44 44 ILE H H 1 8.487 0.005 . . . . . . 44 ILE HN . 7035 1 354 . 1 1 44 44 ILE HA H 1 5.305 0.005 . . . . . . 44 ILE HA . 7035 1 355 . 1 1 44 44 ILE HB H 1 1.548 0.005 . . . . . . 44 ILE HB . 7035 1 356 . 1 1 44 44 ILE HG12 H 1 0.784 0.005 . . . . . . 44 ILE HG12 . 7035 1 357 . 1 1 44 44 ILE HG13 H 1 0.7 0.005 . . . . . . 44 ILE HG13 . 7035 1 358 . 1 1 44 44 ILE HD11 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 359 . 1 1 44 44 ILE HD12 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 360 . 1 1 44 44 ILE HD13 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 361 . 1 1 44 44 ILE CA C 13 57.371 0.01 . . . . . . 44 ILE CA . 7035 1 362 . 1 1 44 44 ILE CB C 13 39.284 0.01 . . . . . . 44 ILE CB . 7035 1 363 . 1 1 44 44 ILE N N 15 121.447 0.01 . . . . . . 44 ILE N . 7035 1 364 . 1 1 45 45 GLY H H 1 8.75 0.005 . . . . . . 45 GLY HN . 7035 1 365 . 1 1 45 45 GLY HA2 H 1 4.171 0.005 . . . . . . 45 GLY HA1 . 7035 1 366 . 1 1 45 45 GLY HA3 H 1 3.914 0.005 . . . . . . 45 GLY HA2 . 7035 1 367 . 1 1 45 45 GLY CA C 13 43.463 0.01 . . . . . . 45 GLY CA . 7035 1 368 . 1 1 45 45 GLY N N 15 111.328 0.01 . . . . . . 45 GLY N . 7035 1 369 . 1 1 46 46 TRP H H 1 9.104 0.005 . . . . . . 46 TRP HN . 7035 1 370 . 1 1 46 46 TRP HA H 1 5.543 0.005 . . . . . . 46 TRP HA . 7035 1 371 . 1 1 46 46 TRP HB2 H 1 2.845 0.005 . . . . . . 46 TRP HB1 . 7035 1 372 . 1 1 46 46 TRP HB3 H 1 2.845 0.005 . . . . . . 46 TRP HB2 . 7035 1 373 . 1 1 46 46 TRP HD1 H 1 7.498 0.005 . . . . . . 46 TRP HD1 . 7035 1 374 . 1 1 46 46 TRP HE1 H 1 10.178 0.005 . . . . . . 46 TRP HE1 . 7035 1 375 . 1 1 46 46 TRP CA C 13 54.993 0.01 . . . . . . 46 TRP CA . 7035 1 376 . 1 1 46 46 TRP CB C 13 29.843 0.01 . . . . . . 46 TRP CB . 7035 1 377 . 1 1 46 46 TRP N N 15 120.359 0.01 . . . . . . 46 TRP N . 7035 1 378 . 1 1 47 47 PHE H H 1 9.571 0.005 . . . . . . 47 PHE HN . 7035 1 379 . 1 1 47 47 PHE HA H 1 5.097 0.005 . . . . . . 47 PHE HA . 7035 1 380 . 1 1 47 47 PHE HB2 H 1 3.321 0.005 . . . . . . 47 PHE HB1 . 7035 1 381 . 1 1 47 47 PHE HB3 H 1 2.534 0.005 . . . . . . 47 PHE HB2 . 7035 1 382 . 1 1 47 47 PHE CA C 13 53.552 0.01 . . . . . . 47 PHE CA . 7035 1 383 . 1 1 47 47 PHE CB C 13 36.473 0.01 . . . . . . 47 PHE CB . 7035 1 384 . 1 1 47 47 PHE N N 15 117.732 0.01 . . . . . . 47 PHE N . 7035 1 385 . 1 1 50 50 ASN H H 1 8.105 0.005 . . . . . . 50 ASN HN . 7035 1 386 . 1 1 50 50 ASN HA H 1 4.457 0.005 . . . . . . 50 ASN HA . 7035 1 387 . 1 1 50 50 ASN HB2 H 1 2.741 0.005 . . . . . . 50 ASN HB1 . 7035 1 388 . 1 1 50 50 ASN HB3 H 1 2.57 0.005 . . . . . . 50 ASN HB2 . 7035 1 389 . 1 1 50 50 ASN HD21 H 1 6.557 0.005 . . . . . . 50 ASN HD21 . 7035 1 390 . 1 1 50 50 ASN HD22 H 1 7.382 0.005 . . . . . . 50 ASN HD22 . 7035 1 391 . 1 1 50 50 ASN CA C 13 53.183 0.01 . . . . . . 50 ASN CA . 7035 1 392 . 1 1 50 50 ASN CB C 13 34.383 0.01 . . . . . . 50 ASN CB . 7035 1 393 . 1 1 50 50 ASN N N 15 115.521 0.01 . . . . . . 50 ASN N . 7035 1 394 . 1 1 51 51 TYR H H 1 7.639 0.005 . . . . . . 51 TYR HN . 7035 1 395 . 1 1 51 51 TYR HA H 1 4.399 0.005 . . . . . . 51 TYR HA . 7035 1 396 . 1 1 51 51 TYR HB2 H 1 3.466 0.005 . . . . . . 51 TYR HB1 . 7035 1 397 . 1 1 51 51 TYR HB3 H 1 2.859 0.005 . . . . . . 51 TYR HB2 . 7035 1 398 . 1 1 51 51 TYR CA C 13 57.155 0.01 . . . . . . 51 TYR CA . 7035 1 399 . 1 1 51 51 TYR CB C 13 35.392 0.01 . . . . . . 51 TYR CB . 7035 1 400 . 1 1 51 51 TYR N N 15 119.035 0.01 . . . . . . 51 TYR N . 7035 1 401 . 1 1 52 52 VAL H H 1 7.484 0.005 . . . . . . 52 VAL HN . 7035 1 402 . 1 1 52 52 VAL HA H 1 5.351 0.005 . . . . . . 52 VAL HA . 7035 1 403 . 1 1 52 52 VAL HB H 1 1.931 0.005 . . . . . . 52 VAL HB . 7035 1 404 . 1 1 52 52 VAL HG11 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 405 . 1 1 52 52 VAL HG12 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 406 . 1 1 52 52 VAL HG13 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 407 . 1 1 52 52 VAL HG21 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 408 . 1 1 52 52 VAL HG22 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 409 . 1 1 52 52 VAL HG23 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 410 . 1 1 52 52 VAL CA C 13 56.074 0.01 . . . . . . 52 VAL CA . 7035 1 411 . 1 1 52 52 VAL CB C 13 33.23 0.01 . . . . . . 52 VAL CB . 7035 1 412 . 1 1 52 52 VAL N N 15 108.996 0.01 . . . . . . 52 VAL N . 7035 1 413 . 1 1 53 53 LEU H H 1 9.246 0.005 . . . . . . 53 LEU HN . 7035 1 414 . 1 1 53 53 LEU HA H 1 4.865 0.005 . . . . . . 53 LEU HA . 7035 1 415 . 1 1 53 53 LEU HB2 H 1 1.808 0.005 . . . . . . 53 LEU HB1 . 7035 1 416 . 1 1 53 53 LEU HB3 H 1 1.808 0.005 . . . . . . 53 LEU HB2 . 7035 1 417 . 1 1 53 53 LEU HG H 1 1.56 0.005 . . . . . . 53 LEU HG . 7035 1 418 . 1 1 53 53 LEU HD11 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 419 . 1 1 53 53 LEU HD12 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 420 . 1 1 53 53 LEU HD13 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 421 . 1 1 53 53 LEU HD21 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 422 . 1 1 53 53 LEU HD22 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 423 . 1 1 53 53 LEU HD23 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 424 . 1 1 53 53 LEU CA C 13 51.462 0.01 . . . . . . 53 LEU CA . 7035 1 425 . 1 1 53 53 LEU CB C 13 43.679 0.01 . . . . . . 53 LEU CB . 7035 1 426 . 1 1 53 53 LEU N N 15 121.07 0.01 . . . . . . 53 LEU N . 7035 1 427 . 1 1 54 54 GLU H H 1 9.252 0.005 . . . . . . 54 GLU HN . 7035 1 428 . 1 1 54 54 GLU HA H 1 4.444 0.005 . . . . . . 54 GLU HA . 7035 1 429 . 1 1 54 54 GLU HB2 H 1 2.134 0.005 . . . . . . 54 GLU HB1 . 7035 1 430 . 1 1 54 54 GLU HB3 H 1 2.134 0.005 . . . . . . 54 GLU HB2 . 7035 1 431 . 1 1 54 54 GLU HG2 H 1 2.471 0.005 . . . . . . 54 GLU HG1 . 7035 1 432 . 1 1 54 54 GLU HG3 H 1 2.242 0.005 . . . . . . 54 GLU HG2 . 7035 1 433 . 1 1 54 54 GLU CA C 13 55.425 0.01 . . . . . . 54 GLU CA . 7035 1 434 . 1 1 54 54 GLU CB C 13 28.979 0.01 . . . . . . 54 GLU CB . 7035 1 435 . 1 1 54 54 GLU N N 15 126.07 0.01 . . . . . . 54 GLU N . 7035 1 436 . 1 1 55 55 GLU H H 1 8.591 0.005 . . . . . . 55 GLU HN . 7035 1 437 . 1 1 55 55 GLU HA H 1 4.474 0.005 . . . . . . 55 GLU HA . 7035 1 438 . 1 1 55 55 GLU HB2 H 1 2.02 0.005 . . . . . . 55 GLU HB1 . 7035 1 439 . 1 1 55 55 GLU HB3 H 1 1.883 0.005 . . . . . . 55 GLU HB2 . 7035 1 440 . 1 1 55 55 GLU HG2 H 1 2.263 0.005 . . . . . . 55 GLU HG1 . 7035 1 441 . 1 1 55 55 GLU HG3 H 1 2.132 0.005 . . . . . . 55 GLU HG2 . 7035 1 442 . 1 1 55 55 GLU CA C 13 54.2 0.01 . . . . . . 55 GLU CA . 7035 1 443 . 1 1 55 55 GLU CB C 13 28.69 0.01 . . . . . . 55 GLU CB . 7035 1 444 . 1 1 55 55 GLU N N 15 124.328 0.01 . . . . . . 55 GLU N . 7035 1 445 . 1 1 56 56 VAL H H 1 8.039 0.005 . . . . . . 56 VAL HN . 7035 1 446 . 1 1 56 56 VAL HA H 1 4.216 0.005 . . . . . . 56 VAL HA . 7035 1 447 . 1 1 56 56 VAL HB H 1 2.105 0.005 . . . . . . 56 VAL HB . 7035 1 448 . 1 1 56 56 VAL HG11 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 449 . 1 1 56 56 VAL HG12 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 450 . 1 1 56 56 VAL HG13 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 451 . 1 1 56 56 VAL HG21 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 452 . 1 1 56 56 VAL HG22 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 453 . 1 1 56 56 VAL HG23 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 454 . 1 1 56 56 VAL CA C 13 59.677 0.01 . . . . . . 56 VAL CA . 7035 1 455 . 1 1 56 56 VAL CB C 13 31.501 0.01 . . . . . . 56 VAL CB . 7035 1 456 . 1 1 56 56 VAL N N 15 119.454 0.01 . . . . . . 56 VAL N . 7035 1 457 . 1 1 57 57 ASP H H 1 7.971 0.005 . . . . . . 57 ASP HN . 7035 1 458 . 1 1 57 57 ASP HA H 1 4.371 0.005 . . . . . . 57 ASP HA . 7035 1 459 . 1 1 57 57 ASP HB2 H 1 2.637 0.005 . . . . . . 57 ASP HB1 . 7035 1 460 . 1 1 57 57 ASP HB3 H 1 2.539 0.005 . . . . . . 57 ASP HB2 . 7035 1 461 . 1 1 57 57 ASP CA C 13 53.696 0.01 . . . . . . 57 ASP CA . 7035 1 462 . 1 1 57 57 ASP CB C 13 40.292 0.01 . . . . . . 57 ASP CB . 7035 1 463 . 1 1 57 57 ASP N N 15 128.234 0.01 . . . . . . 57 ASP N . 7035 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 7035 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800.145 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 5 T1/T2/HetNOE 1 $sample_1 isotropic 7035 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $NMRview . . 7035 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 ILE H H 1 448.069851 . . . . . . 7035 1 2 . 1 1 3 3 ALA H H 1 431.394785 . . . . . . 7035 1 3 . 1 1 4 4 PHE H H 1 468.558245 . . . . . . 7035 1 4 . 1 1 5 5 VAL H H 1 438.879981 . . . . . . 7035 1 5 . 1 1 6 6 LYS H H 1 468.37905 . . . . . . 7035 1 6 . 1 1 7 7 PHE H H 1 514.017634 . . . . . . 7035 1 7 . 1 1 8 8 ALA H H 1 490.811192 . . . . . . 7035 1 8 . 1 1 9 9 TYR H H 1 479.466177 . . . . . . 7035 1 9 . 1 1 10 10 VAL H H 1 482.667741 . . . . . . 7035 1 10 . 1 1 11 11 ALA H H 1 424.187176 . . . . . . 7035 1 11 . 1 1 12 12 GLU H H 1 429.67406 . . . . . . 7035 1 12 . 1 1 13 13 ARG H H 1 538.044837 . . . . . . 7035 1 13 . 1 1 14 14 GLU H H 1 351.395806 . . . . . . 7035 1 14 . 1 1 15 15 ASP H H 1 374.408548 . . . . . . 7035 1 15 . 1 1 16 16 GLU H H 1 405.763901 . . . . . . 7035 1 16 . 1 1 17 17 LEU H H 1 426.011371 . . . . . . 7035 1 17 . 1 1 18 18 SER H H 1 407.56227 . . . . . . 7035 1 18 . 1 1 19 19 LEU H H 1 491.711398 . . . . . . 7035 1 19 . 1 1 20 20 VAL H H 1 445.095914 . . . . . . 7035 1 20 . 1 1 21 21 LYS H H 1 443.464379 . . . . . . 7035 1 21 . 1 1 22 22 GLY H H 1 417.825417 . . . . . . 7035 1 22 . 1 1 23 23 SER H H 1 374.440434 . . . . . . 7035 1 23 . 1 1 24 24 ARG H H 1 408.873904 . . . . . . 7035 1 24 . 1 1 25 25 VAL H H 1 459.749225 . . . . . . 7035 1 25 . 1 1 26 26 THR H H 1 392.599985 . . . . . . 7035 1 26 . 1 1 27 27 VAL H H 1 521.249937 . . . . . . 7035 1 27 . 1 1 28 28 MET H H 1 476.709147 . . . . . . 7035 1 28 . 1 1 29 29 GLU H H 1 473.177112 . . . . . . 7035 1 29 . 1 1 30 30 LYS H H 1 426.630759 . . . . . . 7035 1 30 . 1 1 31 31 CYS H H 1 392.350196 . . . . . . 7035 1 31 . 1 1 33 33 ASP H H 1 299.533832 . . . . . . 7035 1 32 . 1 1 34 34 GLY H H 1 343.879571 . . . . . . 7035 1 33 . 1 1 35 35 TRP HE1 H 1 593.893023 . . . . . . 7035 1 34 . 1 1 35 35 TRP H H 1 382.964315 . . . . . . 7035 1 35 . 1 1 36 36 TRP HE1 H 1 619.746874 . . . . . . 7035 1 36 . 1 1 36 36 TRP H H 1 444.462917 . . . . . . 7035 1 37 . 1 1 37 37 ARG H H 1 430.043241 . . . . . . 7035 1 38 . 1 1 38 38 GLY H H 1 450.818845 . . . . . . 7035 1 39 . 1 1 39 39 SER H H 1 463.487367 . . . . . . 7035 1 40 . 1 1 40 40 TYR H H 1 460.649436 . . . . . . 7035 1 41 . 1 1 41 41 ASN H H 1 309.460215 . . . . . . 7035 1 42 . 1 1 41 41 ASN HD21 H 1 591.717199 . . . . . . 7035 1 43 . 1 1 41 41 ASN HD22 H 1 570.868731 . . . . . . 7035 1 44 . 1 1 42 42 GLY H H 1 332.983245 . . . . . . 7035 1 45 . 1 1 43 43 GLN H H 1 464.344033 . . . . . . 7035 1 46 . 1 1 43 43 GLN HE21 H 1 1074.387717 . . . . . . 7035 1 47 . 1 1 43 43 GLN HE22 H 1 923.09944 . . . . . . 7035 1 48 . 1 1 44 44 ILE H H 1 526.749899 . . . . . . 7035 1 49 . 1 1 45 45 GLY H H 1 455.742565 . . . . . . 7035 1 50 . 1 1 46 46 TRP HE1 H 1 588.34994 . . . . . . 7035 1 51 . 1 1 46 46 TRP H H 1 414.508905 . . . . . . 7035 1 52 . 1 1 47 47 PHE H H 1 414.635651 . . . . . . 7035 1 53 . 1 1 49 49 SER H H 1 423.465987 . . . . . . 7035 1 54 . 1 1 50 50 ASN H H 1 367.441975 . . . . . . 7035 1 55 . 1 1 50 50 ASN HD21 H 1 219.246256 . . . . . . 7035 1 56 . 1 1 50 50 ASN HD22 H 1 160.632848 . . . . . . 7035 1 57 . 1 1 51 51 TYR H H 1 437.298453 . . . . . . 7035 1 58 . 1 1 52 52 VAL H H 1 408.732206 . . . . . . 7035 1 59 . 1 1 53 53 LEU H H 1 468.739051 . . . . . . 7035 1 60 . 1 1 54 54 GLU H H 1 473.192328 . . . . . . 7035 1 61 . 1 1 55 55 GLU H H 1 460.094981 . . . . . . 7035 1 62 . 1 1 56 56 VAL H H 1 510.257642 . . . . . . 7035 1 63 . 1 1 57 57 ASP H H 1 575.185888 . . . . . . 7035 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_list_1 _Heteronucl_T2_list.Entry_ID 7035 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800.154 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units ms _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 T1/T2/HetNOE 1 $sample_1 isotropic 7035 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $NMRview . . 7035 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 ILE H H 1 88.155643 . . . . . . . . 7035 1 2 . 1 1 3 3 ALA H H 1 86.685748 . . . . . . . . 7035 1 3 . 1 1 4 4 PHE H H 1 89.58992 . . . . . . . . 7035 1 4 . 1 1 5 5 VAL H H 1 88.527829 . . . . . . . . 7035 1 5 . 1 1 6 6 LYS H H 1 89.042735 . . . . . . . . 7035 1 6 . 1 1 7 7 PHE H H 1 84.868246 . . . . . . . . 7035 1 7 . 1 1 8 8 ALA H H 1 88.766308 . . . . . . . . 7035 1 8 . 1 1 9 9 TYR H H 1 94.867828 . . . . . . . . 7035 1 9 . 1 1 10 10 VAL H H 1 98.273833 . . . . . . . . 7035 1 10 . 1 1 11 11 ALA H H 1 87.292832 . . . . . . . . 7035 1 11 . 1 1 12 12 GLU H H 1 91.669126 . . . . . . . . 7035 1 12 . 1 1 13 13 ARG H H 1 90.189902 . . . . . . . . 7035 1 13 . 1 1 14 14 GLU H H 1 79.386567 . . . . . . . . 7035 1 14 . 1 1 15 15 ASP H H 1 87.575889 . . . . . . . . 7035 1 15 . 1 1 16 16 GLU H H 1 71.261887 . . . . . . . . 7035 1 16 . 1 1 17 17 LEU H H 1 88.53149 . . . . . . . . 7035 1 17 . 1 1 18 18 SER H H 1 94.030585 . . . . . . . . 7035 1 18 . 1 1 19 19 LEU H H 1 87.868456 . . . . . . . . 7035 1 19 . 1 1 20 20 VAL H H 1 88.937217 . . . . . . . . 7035 1 20 . 1 1 21 21 LYS H H 1 97.429248 . . . . . . . . 7035 1 21 . 1 1 22 22 GLY H H 1 88.153261 . . . . . . . . 7035 1 22 . 1 1 23 23 SER H H 1 78.268009 . . . . . . . . 7035 1 23 . 1 1 24 24 ARG H H 1 90.445636 . . . . . . . . 7035 1 24 . 1 1 25 25 VAL H H 1 89.405573 . . . . . . . . 7035 1 25 . 1 1 26 26 THR H H 1 75.538475 . . . . . . . . 7035 1 26 . 1 1 27 27 VAL H H 1 93.550564 . . . . . . . . 7035 1 27 . 1 1 28 28 MET H H 1 80.116509 . . . . . . . . 7035 1 28 . 1 1 29 29 GLU H H 1 72.825863 . . . . . . . . 7035 1 29 . 1 1 30 30 LYS H H 1 72.617038 . . . . . . . . 7035 1 30 . 1 1 31 31 CYS H H 1 81.870819 . . . . . . . . 7035 1 31 . 1 1 33 33 ASP H H 1 79.120237 . . . . . . . . 7035 1 32 . 1 1 34 34 GLY H H 1 103.703525 . . . . . . . . 7035 1 33 . 1 1 35 35 TRP HE1 H 1 118.494136 . . . . . . . . 7035 1 34 . 1 1 35 35 TRP H H 1 78.337986 . . . . . . . . 7035 1 35 . 1 1 36 36 TRP HE1 H 1 116.523495 . . . . . . . . 7035 1 36 . 1 1 36 36 TRP H H 1 83.296415 . . . . . . . . 7035 1 37 . 1 1 37 37 ARG H H 1 75.802208 . . . . . . . . 7035 1 38 . 1 1 38 38 GLY H H 1 87.55349 . . . . . . . . 7035 1 39 . 1 1 39 39 SER H H 1 98.308978 . . . . . . . . 7035 1 40 . 1 1 40 40 TYR H H 1 80.842746 . . . . . . . . 7035 1 41 . 1 1 41 41 ASN H H 1 84.115892 . . . . . . . . 7035 1 42 . 1 1 41 41 ASN HD21 H 1 132.003647 . . . . . . . . 7035 1 43 . 1 1 41 41 ASN HD22 H 1 179.242853 . . . . . . . . 7035 1 44 . 1 1 42 42 GLY H H 1 113.492981 . . . . . . . . 7035 1 45 . 1 1 43 43 GLN H H 1 78.879697 . . . . . . . . 7035 1 46 . 1 1 43 43 GLN HE21 H 1 475.26463 . . . . . . . . 7035 1 47 . 1 1 43 43 GLN HE22 H 1 218.686314 . . . . . . . . 7035 1 48 . 1 1 44 44 ILE H H 1 92.726449 . . . . . . . . 7035 1 49 . 1 1 45 45 GLY H H 1 88.714204 . . . . . . . . 7035 1 50 . 1 1 46 46 TRP HE1 H 1 104.818647 . . . . . . . . 7035 1 51 . 1 1 46 46 TRP H H 1 77.607892 . . . . . . . . 7035 1 52 . 1 1 47 47 PHE H H 1 83.6987 . . . . . . . . 7035 1 53 . 1 1 49 49 SER H H 1 75.1231 . . . . . . . . 7035 1 54 . 1 1 50 50 ASN H H 1 75.893759 . . . . . . . . 7035 1 55 . 1 1 50 50 ASN HD21 H 1 226.004006 . . . . . . . . 7035 1 56 . 1 1 50 50 ASN HD22 H 1 127.332956 . . . . . . . . 7035 1 57 . 1 1 51 51 TYR H H 1 76.468685 . . . . . . . . 7035 1 58 . 1 1 52 52 VAL H H 1 89.820798 . . . . . . . . 7035 1 59 . 1 1 53 53 LEU H H 1 89.112856 . . . . . . . . 7035 1 60 . 1 1 54 54 GLU H H 1 100.127107 . . . . . . . . 7035 1 61 . 1 1 55 55 GLU H H 1 95.56573 . . . . . . . . 7035 1 62 . 1 1 56 56 VAL H H 1 195.246953 . . . . . . . . 7035 1 63 . 1 1 57 57 ASP H H 1 371.570099 . . . . . . . . 7035 1 stop_ save_