data_15261 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15261 _Entry.Title ; LactococcinGb in DPC and TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-22 _Entry.Accession_date 2007-05-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'LactococcinG beta peptide in DPC micelles and TFE' _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 Per Rogne . . . 15261 2 Per Kristiansen . E. . 15261 3 Gunnar Fimland . . . 15261 4 Jon Nissen-Meyer . . . 15261 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID antimicrobial . 15261 'membrane bound' . 15261 Peptide . 15261 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15261 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 78 15261 '1H chemical shifts' 485 15261 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-02 2007-05-22 update BMRB 'complete entry citation' 15261 1 . . 2008-02-21 2007-05-22 original author 'original release' 15261 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPK 'BMRB Entry Tracking System' 15261 PDB 2JPM 'BMRB Entry Tracking System' 15261 stop_ save_ ############### # Citations # ############### save_Biochemistry_article _Citation.Sf_category citations _Citation.Sf_framecode Biochemistry_article _Citation.Entry_ID 15261 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18187052 _Citation.Full_citation . _Citation.Title ; Three-dimensional structure of the two peptides that constitutes the two-peptide bacteriocin Lactococcin G ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta.' _Citation.Journal_name_full . _Citation.Journal_volume 1784 _Citation.Journal_issue 3 _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 543 _Citation.Page_last 554 _Citation.Year 2008 _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 Per Rogne . . . 15261 1 2 Gunnar Fimland . . . 15261 1 3 Jon Nissen-Meyer . . . 15261 1 4 Per Kristiansen . E. . 15261 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15261 _Assembly.ID 1 _Assembly.Name lcnGb _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 lcnGb 1 $lcnGb A . yes native no no . . . 15261 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lcnGb _Entity.Sf_category entity _Entity.Sf_framecode lcnGb _Entity.Entry_ID 15261 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lcnGb _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKWGWLAWVDPAYEFIKGFG KGAIKEGNKDKWKNI ; _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 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4118.848 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JPK . "Lactococcin G-B In Dpc" . . . . . 100.00 35 100.00 100.00 4.47e-14 . . . . 15261 1 2 no PDB 2JPM . "Lactococcin G-B In Tfe" . . . . . 100.00 35 100.00 100.00 4.47e-14 . . . . 15261 1 3 no GB AAB23090 . "lactococcin G peptide beta=bacteriocin [Lactococcus lactis, LMG 2081, Peptide, 35 aa]" . . . . . 100.00 35 100.00 100.00 4.47e-14 . . . . 15261 1 4 no GB ACR43770 . "lactococcin G beta peptide [Lactococcus lactis]" . . . . . 100.00 60 100.00 100.00 1.59e-14 . . . . 15261 1 5 no SP P36962 . "RecName: Full=Bacteriocin lactococcin-G subunit beta" . . . . . 100.00 35 100.00 100.00 4.47e-14 . . . . 15261 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 . LYS . 15261 1 2 . LYS . 15261 1 3 . TRP . 15261 1 4 . GLY . 15261 1 5 . TRP . 15261 1 6 . LEU . 15261 1 7 . ALA . 15261 1 8 . TRP . 15261 1 9 . VAL . 15261 1 10 . ASP . 15261 1 11 . PRO . 15261 1 12 . ALA . 15261 1 13 . TYR . 15261 1 14 . GLU . 15261 1 15 . PHE . 15261 1 16 . ILE . 15261 1 17 . LYS . 15261 1 18 . GLY . 15261 1 19 . PHE . 15261 1 20 . GLY . 15261 1 21 . LYS . 15261 1 22 . GLY . 15261 1 23 . ALA . 15261 1 24 . ILE . 15261 1 25 . LYS . 15261 1 26 . GLU . 15261 1 27 . GLY . 15261 1 28 . ASN . 15261 1 29 . LYS . 15261 1 30 . ASP . 15261 1 31 . LYS . 15261 1 32 . TRP . 15261 1 33 . LYS . 15261 1 34 . ASN . 15261 1 35 . ILE . 15261 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 . LYS 1 1 15261 1 . LYS 2 2 15261 1 . TRP 3 3 15261 1 . GLY 4 4 15261 1 . TRP 5 5 15261 1 . LEU 6 6 15261 1 . ALA 7 7 15261 1 . TRP 8 8 15261 1 . VAL 9 9 15261 1 . ASP 10 10 15261 1 . PRO 11 11 15261 1 . ALA 12 12 15261 1 . TYR 13 13 15261 1 . GLU 14 14 15261 1 . PHE 15 15 15261 1 . ILE 16 16 15261 1 . LYS 17 17 15261 1 . GLY 18 18 15261 1 . PHE 19 19 15261 1 . GLY 20 20 15261 1 . LYS 21 21 15261 1 . GLY 22 22 15261 1 . ALA 23 23 15261 1 . ILE 24 24 15261 1 . LYS 25 25 15261 1 . GLU 26 26 15261 1 . GLY 27 27 15261 1 . ASN 28 28 15261 1 . LYS 29 29 15261 1 . ASP 30 30 15261 1 . LYS 31 31 15261 1 . TRP 32 32 15261 1 . LYS 33 33 15261 1 . ASN 34 34 15261 1 . ILE 35 35 15261 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 15261 _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 $lcnGb . 1358 organism . 'Lactococcus lactis' 'Lactcococcus lactis' . . Bacteria . Lactococcus lactis 'LMGT 2081' . . . . . . . . . . . . . . . . . . . . 15261 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 15261 _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 $lcnGb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'RIL (DE3) pLysS' . . . . . . . . . . . . . . pGEV2 . . . . . . 15261 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LcnGb_DPC _Sample.Sf_category sample _Sample.Sf_framecode LcnGb_DPC _Sample.Entry_ID 15261 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'LcnGb:DPC 1:200 peptide to lipid ratio' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'lactococcinG beta' [U-15N] . . 1 $lcnGb . . 1 . . mM . . . . 15261 1 2 DPC [U-2H] . . . . . . 200 . . mM . . . . 15261 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15261 1 4 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 15261 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15261 1 stop_ save_ save_lcnGb_TFE _Sample.Sf_category sample _Sample.Sf_framecode lcnGb_TFE _Sample.Entry_ID 15261 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Lactococcin Gb in TFE' _Sample.Aggregate_sample_number . _Sample.Solvent_system 90%TFE/10%H2O _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 'Lactococcin Gb' [U-15N] . . 1 $lcnGb . . 1 . . mM . . . . 15261 2 2 TFE [U-2H] . . . . . . 90 . . % . . . . 15261 2 3 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 15261 2 4 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 15261 2 stop_ save_ ####################### # Sample conditions # ####################### save_25C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 25C _Sample_condition_list.Entry_ID 15261 _Sample_condition_list.ID 1 _Sample_condition_list.Details 25C 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 2.8 . pH 15261 1 pressure 1 . atm 15261 1 temperature 298 . K 15261 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15261 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15261 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15261 1 processing 15261 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15261 _Software.ID 2 _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' . . 15261 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15261 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15261 _Software.ID 3 _Software.Name CARA _Software.Version 1.4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15261 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15261 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15261 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15261 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15261 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15261 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15261 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15261 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15261 _Software.ID 6 _Software.Name Molmol _Software.Version 2k.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15261 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'RMSD value calculation' 15261 6 Visualization 15261 6 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 15261 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15261 _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 Oslo Bruker Avance . 600 Cryoprobe . . 15261 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 15261 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $LcnGb_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $LcnGb_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $LcnGb_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $LcnGb_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $LcnGb_DPC isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $lcnGb_TFE isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $lcnGb_TFE isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $lcnGb_TFE isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $lcnGb_TFE isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $lcnGb_TFE isotropic . . 1 $25C . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15261 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15261 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15261 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15261 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15261 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15261 1 2 '2D 1H-1H TOCSY' . . . 15261 1 3 '2D 1H-1H NOESY' . . . 15261 1 4 '3D 1H-15N TOCSY' . . . 15261 1 5 '3D 1H-15N NOESY' . . . 15261 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 LYS HA H 1 3.944 0.01 . 1 . . . . 1 K HA . 15261 1 2 . 1 1 2 2 LYS H H 1 8.592 0.01 . 1 . . . . 2 K H . 15261 1 3 . 1 1 2 2 LYS HA H 1 4.263 0.01 . 1 . . . . 2 K HA . 15261 1 4 . 1 1 2 2 LYS HB2 H 1 1.625 0.01 . 2 . . . . 2 K HB . 15261 1 5 . 1 1 2 2 LYS HB3 H 1 1.625 0.01 . 2 . . . . 2 K HB . 15261 1 6 . 1 1 2 2 LYS HD2 H 1 1.779 0.01 . 2 . . . . 2 K HD . 15261 1 7 . 1 1 2 2 LYS HD3 H 1 1.779 0.01 . 2 . . . . 2 K HD . 15261 1 8 . 1 1 2 2 LYS HE2 H 1 2.851 0.01 . 2 . . . . 2 K HE . 15261 1 9 . 1 1 2 2 LYS HE3 H 1 2.851 0.01 . 2 . . . . 2 K HE . 15261 1 10 . 1 1 2 2 LYS HG2 H 1 1.29 0.01 . 1 . . . . 2 K HG2 . 15261 1 11 . 1 1 2 2 LYS HG3 H 1 1.144 0.01 . 1 . . . . 2 K HG3 . 15261 1 12 . 1 1 2 2 LYS N N 15 123.869 0.1 . 1 . . . . 2 K N . 15261 1 13 . 1 1 3 3 TRP H H 1 8.685 0.01 . 1 . . . . 3 W H . 15261 1 14 . 1 1 3 3 TRP HA H 1 4.519 0.01 . 1 . . . . 3 W HA . 15261 1 15 . 1 1 3 3 TRP HB2 H 1 3.141 0.01 . 1 . . . . 3 W HB2 . 15261 1 16 . 1 1 3 3 TRP HB3 H 1 3.071 0.01 . 1 . . . . 3 W HB3 . 15261 1 17 . 1 1 3 3 TRP HD1 H 1 7.263 0.01 . 1 . . . . 3 W HD1 . 15261 1 18 . 1 1 3 3 TRP HE1 H 1 10.503 0.01 . 1 . . . . 3 W HE1 . 15261 1 19 . 1 1 3 3 TRP HE3 H 1 7.384 0.01 . 1 . . . . 3 W HE3 . 15261 1 20 . 1 1 3 3 TRP HH2 H 1 7.103 0.01 . 1 . . . . 3 W HH2 . 15261 1 21 . 1 1 3 3 TRP HZ2 H 1 7.466 0.01 . 1 . . . . 3 W HZ2 . 15261 1 22 . 1 1 3 3 TRP HZ3 H 1 7.016 0.01 . 1 . . . . 3 W HZ3 . 15261 1 23 . 1 1 3 3 TRP N N 15 121.422 0.1 . 1 . . . . 3 W N . 15261 1 24 . 1 1 3 3 TRP NE1 N 15 129.951 0.1 . 1 . . . . 3 W NE1 . 15261 1 25 . 1 1 4 4 GLY H H 1 8.693 0.01 . 1 . . . . 4 G H . 15261 1 26 . 1 1 4 4 GLY HA2 H 1 3.962 0.01 . 2 . . . . 4 G HA . 15261 1 27 . 1 1 4 4 GLY HA3 H 1 3.962 0.01 . 2 . . . . 4 G HA . 15261 1 28 . 1 1 4 4 GLY N N 15 111.232 0.1 . 1 . . . . 4 G N . 15261 1 29 . 1 1 5 5 TRP H H 1 7.991 0.01 . 1 . . . . 5 W H . 15261 1 30 . 1 1 5 5 TRP HA H 1 4.365 0.01 . 1 . . . . 5 W HA . 15261 1 31 . 1 1 5 5 TRP HB2 H 1 3.302 0.01 . 1 . . . . 5 W HB2 . 15261 1 32 . 1 1 5 5 TRP HB3 H 1 3.152 0.01 . 1 . . . . 5 W HB3 . 15261 1 33 . 1 1 5 5 TRP HD1 H 1 7.41 0.01 . 1 . . . . 5 W HD1 . 15261 1 34 . 1 1 5 5 TRP HE1 H 1 10.299 0.01 . 1 . . . . 5 W HE1 . 15261 1 35 . 1 1 5 5 TRP HE3 H 1 7.384 0.01 . 1 . . . . 5 W HE3 . 15261 1 36 . 1 1 5 5 TRP HH2 H 1 7.003 0.01 . 1 . . . . 5 W HH2 . 15261 1 37 . 1 1 5 5 TRP HZ2 H 1 7.31 0.01 . 1 . . . . 5 W HZ2 . 15261 1 38 . 1 1 5 5 TRP HZ3 H 1 6.856 0.01 . 1 . . . . 5 W HZ3 . 15261 1 39 . 1 1 5 5 TRP N N 15 119.737 0.1 . 1 . . . . 5 W N . 15261 1 40 . 1 1 5 5 TRP NE1 N 15 130.013 0.1 . 1 . . . . 5 W NE1 . 15261 1 41 . 1 1 6 6 LEU H H 1 7.702 0.01 . 1 . . . . 6 L H . 15261 1 42 . 1 1 6 6 LEU HA H 1 3.951 0.01 . 1 . . . . 6 L HA . 15261 1 43 . 1 1 6 6 LEU HB2 H 1 1.527 0.01 . 1 . . . . 6 L HB2 . 15261 1 44 . 1 1 6 6 LEU HB3 H 1 1.431 0.01 . 1 . . . . 6 L HB3 . 15261 1 45 . 1 1 6 6 LEU HD11 H 1 0.826 0.01 . 1 . . . . 6 L HD1 . 15261 1 46 . 1 1 6 6 LEU HD12 H 1 0.826 0.01 . 1 . . . . 6 L HD1 . 15261 1 47 . 1 1 6 6 LEU HD13 H 1 0.826 0.01 . 1 . . . . 6 L HD1 . 15261 1 48 . 1 1 6 6 LEU HD21 H 1 0.642 0.01 . 1 . . . . 6 L HD2 . 15261 1 49 . 1 1 6 6 LEU HD22 H 1 0.642 0.01 . 1 . . . . 6 L HD2 . 15261 1 50 . 1 1 6 6 LEU HD23 H 1 0.642 0.01 . 1 . . . . 6 L HD2 . 15261 1 51 . 1 1 6 6 LEU HG H 1 1.123 0.01 . 1 . . . . 6 L HG . 15261 1 52 . 1 1 6 6 LEU N N 15 119.964 0.1 . 1 . . . . 6 L N . 15261 1 53 . 1 1 7 7 ALA H H 1 7.701 0.01 . 1 . . . . 7 A H . 15261 1 54 . 1 1 7 7 ALA HA H 1 4.097 0.01 . 1 . . . . 7 A HA . 15261 1 55 . 1 1 7 7 ALA HB1 H 1 1.341 0.01 . 1 . . . . 7 A HB . 15261 1 56 . 1 1 7 7 ALA HB2 H 1 1.341 0.01 . 1 . . . . 7 A HB . 15261 1 57 . 1 1 7 7 ALA HB3 H 1 1.341 0.01 . 1 . . . . 7 A HB . 15261 1 58 . 1 1 7 7 ALA N N 15 119.926 0.1 . 1 . . . . 7 A N . 15261 1 59 . 1 1 8 8 TRP H H 1 7.791 0.01 . 1 . . . . 8 W H . 15261 1 60 . 1 1 8 8 TRP HA H 1 4.506 0.01 . 1 . . . . 8 W HA . 15261 1 61 . 1 1 8 8 TRP HB2 H 1 3.452 0.01 . 2 . . . . 8 W HB . 15261 1 62 . 1 1 8 8 TRP HB3 H 1 3.452 0.01 . 2 . . . . 8 W HB . 15261 1 63 . 1 1 8 8 TRP HD1 H 1 7.338 0.01 . 1 . . . . 8 W HD1 . 15261 1 64 . 1 1 8 8 TRP HE1 H 1 10.43 0.01 . 1 . . . . 8 W HE1 . 15261 1 65 . 1 1 8 8 TRP HE3 H 1 7.537 0.01 . 1 . . . . 8 W HE3 . 15261 1 66 . 1 1 8 8 TRP HH2 H 1 7.137 0.01 . 1 . . . . 8 W HH2 . 15261 1 67 . 1 1 8 8 TRP HZ2 H 1 7.475 0.01 . 1 . . . . 8 W HZ2 . 15261 1 68 . 1 1 8 8 TRP HZ3 H 1 6.976 0.01 . 1 . . . . 8 W HZ3 . 15261 1 69 . 1 1 8 8 TRP N N 15 115.787 0.1 . 1 . . . . 8 W N . 15261 1 70 . 1 1 8 8 TRP NE1 N 15 129.789 0.1 . 1 . . . . 8 W NE1 . 15261 1 71 . 1 1 9 9 VAL H H 1 7.591 0.01 . 1 . . . . 9 V H . 15261 1 72 . 1 1 9 9 VAL HA H 1 3.775 0.01 . 1 . . . . 9 V HA . 15261 1 73 . 1 1 9 9 VAL HB H 1 2.202 0.01 . 1 . . . . 9 V HB . 15261 1 74 . 1 1 9 9 VAL HG11 H 1 1.123 0.01 . 1 . . . . 9 V HG1 . 15261 1 75 . 1 1 9 9 VAL HG12 H 1 1.123 0.01 . 1 . . . . 9 V HG1 . 15261 1 76 . 1 1 9 9 VAL HG13 H 1 1.123 0.01 . 1 . . . . 9 V HG1 . 15261 1 77 . 1 1 9 9 VAL HG21 H 1 1.016 0.01 . 1 . . . . 9 V HG2 . 15261 1 78 . 1 1 9 9 VAL HG22 H 1 1.016 0.01 . 1 . . . . 9 V HG2 . 15261 1 79 . 1 1 9 9 VAL HG23 H 1 1.016 0.01 . 1 . . . . 9 V HG2 . 15261 1 80 . 1 1 9 9 VAL N N 15 117.63 0.1 . 1 . . . . 9 V N . 15261 1 81 . 1 1 10 10 ASP H H 1 8.849 0.01 . 1 . . . . 10 D H . 15261 1 82 . 1 1 10 10 ASP HA H 1 4.793 0.01 . 1 . . . . 10 D HA . 15261 1 83 . 1 1 10 10 ASP HB2 H 1 2.992 0.01 . 2 . . . . 10 D HB . 15261 1 84 . 1 1 10 10 ASP HB3 H 1 2.992 0.01 . 2 . . . . 10 D HB . 15261 1 85 . 1 1 10 10 ASP N N 15 118.196 0.1 . 1 . . . . 10 D N . 15261 1 86 . 1 1 11 11 PRO HA H 1 4.388 0.01 . 1 . . . . 11 P HA . 15261 1 87 . 1 1 11 11 PRO HB2 H 1 2.447 0.01 . 2 . . . . 11 P HB . 15261 1 88 . 1 1 11 11 PRO HB3 H 1 2.447 0.01 . 2 . . . . 11 P HB . 15261 1 89 . 1 1 11 11 PRO HD2 H 1 3.778 0.01 . 1 . . . . 11 P HD2 . 15261 1 90 . 1 1 11 11 PRO HD3 H 1 3.622 0.01 . 1 . . . . 11 P HD3 . 15261 1 91 . 1 1 11 11 PRO HG2 H 1 2.063 0.01 . 2 . . . . 11 P HG . 15261 1 92 . 1 1 11 11 PRO HG3 H 1 2.063 0.01 . 2 . . . . 11 P HG . 15261 1 93 . 1 1 12 12 ALA H H 1 7.908 0.01 . 1 . . . . 12 A H . 15261 1 94 . 1 1 12 12 ALA HA H 1 4.259 0.01 . 1 . . . . 12 A HA . 15261 1 95 . 1 1 12 12 ALA HB1 H 1 1.662 0.01 . 1 . . . . 12 A HB . 15261 1 96 . 1 1 12 12 ALA HB2 H 1 1.662 0.01 . 1 . . . . 12 A HB . 15261 1 97 . 1 1 12 12 ALA HB3 H 1 1.662 0.01 . 1 . . . . 12 A HB . 15261 1 98 . 1 1 12 12 ALA N N 15 119.951 0.1 . 1 . . . . 12 A N . 15261 1 99 . 1 1 13 13 TYR H H 1 8.651 0.01 . 1 . . . . 13 Y H . 15261 1 100 . 1 1 13 13 TYR HA H 1 4.215 0.01 . 1 . . . . 13 Y HA . 15261 1 101 . 1 1 13 13 TYR HB2 H 1 3.18 0.01 . 1 . . . . 13 Y HB2 . 15261 1 102 . 1 1 13 13 TYR HB3 H 1 3.423 0.01 . 1 . . . . 13 Y HB3 . 15261 1 103 . 1 1 13 13 TYR HD1 H 1 7.009 0.01 . 3 . . . . 13 Y HD . 15261 1 104 . 1 1 13 13 TYR HD2 H 1 7.009 0.01 . 3 . . . . 13 Y HD . 15261 1 105 . 1 1 13 13 TYR HE1 H 1 6.768 0.01 . 3 . . . . 13 Y HE . 15261 1 106 . 1 1 13 13 TYR HE2 H 1 6.768 0.01 . 3 . . . . 13 Y HE . 15261 1 107 . 1 1 13 13 TYR N N 15 119.009 0.1 . 1 . . . . 13 Y N . 15261 1 108 . 1 1 14 14 GLU H H 1 8.537 0.01 . 1 . . . . 14 E H . 15261 1 109 . 1 1 14 14 GLU HA H 1 3.78 0.01 . 1 . . . . 14 E HA . 15261 1 110 . 1 1 14 14 GLU HB2 H 1 2.146 0.01 . 2 . . . . 14 E HB . 15261 1 111 . 1 1 14 14 GLU HB3 H 1 2.146 0.01 . 2 . . . . 14 E HB . 15261 1 112 . 1 1 14 14 GLU HG2 H 1 2.67 0.01 . 2 . . . . 14 E HG . 15261 1 113 . 1 1 14 14 GLU HG3 H 1 2.67 0.01 . 2 . . . . 14 E HG . 15261 1 114 . 1 1 14 14 GLU N N 15 115.831 0.1 . 1 . . . . 14 E N . 15261 1 115 . 1 1 15 15 PHE H H 1 8.196 0.01 . 1 . . . . 15 F H . 15261 1 116 . 1 1 15 15 PHE HA H 1 4.325 0.01 . 1 . . . . 15 F HA . 15261 1 117 . 1 1 15 15 PHE HB2 H 1 3.334 0.01 . 2 . . . . 15 F HB . 15261 1 118 . 1 1 15 15 PHE HB3 H 1 3.334 0.01 . 2 . . . . 15 F HB . 15261 1 119 . 1 1 15 15 PHE HD1 H 1 7.225 0.01 . 3 . . . . 15 F HD . 15261 1 120 . 1 1 15 15 PHE HD2 H 1 7.225 0.01 . 3 . . . . 15 F HD . 15261 1 121 . 1 1 15 15 PHE HE1 H 1 7.191 0.01 . 3 . . . . 15 F HE . 15261 1 122 . 1 1 15 15 PHE HE2 H 1 7.191 0.01 . 3 . . . . 15 F HE . 15261 1 123 . 1 1 15 15 PHE N N 15 120.495 0.1 . 1 . . . . 15 F N . 15261 1 124 . 1 1 16 16 ILE H H 1 8.364 0.01 . 1 . . . . 16 I H . 15261 1 125 . 1 1 16 16 ILE HA H 1 3.623 0.01 . 1 . . . . 16 I HA . 15261 1 126 . 1 1 16 16 ILE HB H 1 2.011 0.01 . 1 . . . . 16 I HB . 15261 1 127 . 1 1 16 16 ILE HD11 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 1 128 . 1 1 16 16 ILE HD12 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 1 129 . 1 1 16 16 ILE HD13 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 1 130 . 1 1 16 16 ILE HG12 H 1 1.507 0.01 . 1 . . . . 16 I HG1 . 15261 1 131 . 1 1 16 16 ILE HG13 H 1 1.507 0.01 . 1 . . . . 16 I HG1 . 15261 1 132 . 1 1 16 16 ILE HG21 H 1 1.323 0.01 . 1 . . . . 16 I HG2 . 15261 1 133 . 1 1 16 16 ILE HG22 H 1 1.323 0.01 . 1 . . . . 16 I HG2 . 15261 1 134 . 1 1 16 16 ILE HG23 H 1 1.323 0.01 . 1 . . . . 16 I HG2 . 15261 1 135 . 1 1 16 16 ILE N N 15 119.142 0.1 . 1 . . . . 16 I N . 15261 1 136 . 1 1 17 17 LYS H H 1 8.321 0.01 . 1 . . . . 17 K H . 15261 1 137 . 1 1 17 17 LYS HA H 1 3.803 0.01 . 1 . . . . 17 K HA . 15261 1 138 . 1 1 17 17 LYS HB2 H 1 1.504 0.01 . 2 . . . . 17 K HB . 15261 1 139 . 1 1 17 17 LYS HB3 H 1 1.504 0.01 . 2 . . . . 17 K HB . 15261 1 140 . 1 1 17 17 LYS HD2 H 1 2.002 0.01 . 1 . . . . 17 K HD . 15261 1 141 . 1 1 17 17 LYS HD3 H 1 2.002 0.01 . 1 . . . . 17 K HD . 15261 1 142 . 1 1 17 17 LYS HE2 H 1 2.823 0.01 . 2 . . . . 17 K HE . 15261 1 143 . 1 1 17 17 LYS HE3 H 1 2.823 0.01 . 2 . . . . 17 K HE . 15261 1 144 . 1 1 17 17 LYS HG2 H 1 1.184 0.01 . 2 . . . . 17 K HG . 15261 1 145 . 1 1 17 17 LYS HG3 H 1 1.184 0.01 . 2 . . . . 17 K HG . 15261 1 146 . 1 1 17 17 LYS N N 15 119.44 0.1 . 1 . . . . 17 K N . 15261 1 147 . 1 1 18 18 GLY H H 1 7.709 0.01 . 1 . . . . 18 G H . 15261 1 148 . 1 1 18 18 GLY HA2 H 1 3.842 0.01 . 1 . . . . 18 G HA2 . 15261 1 149 . 1 1 18 18 GLY HA3 H 1 3.742 0.01 . 1 . . . . 18 G HA3 . 15261 1 150 . 1 1 18 18 GLY N N 15 105.195 0.1 . 1 . . . . 18 G N . 15261 1 151 . 1 1 19 19 PHE H H 1 7.957 0.01 . 1 . . . . 19 F H . 15261 1 152 . 1 1 19 19 PHE HA H 1 4.271 0.01 . 1 . . . . 19 F HA . 15261 1 153 . 1 1 19 19 PHE HB2 H 1 2.845 0.01 . 1 . . . . 19 F HB2 . 15261 1 154 . 1 1 19 19 PHE HB3 H 1 2.95 0.01 . 1 . . . . 19 F HB3 . 15261 1 155 . 1 1 19 19 PHE HD1 H 1 7.114 0.01 . 3 . . . . 19 F HD . 15261 1 156 . 1 1 19 19 PHE HD2 H 1 7.114 0.01 . 3 . . . . 19 F HD . 15261 1 157 . 1 1 19 19 PHE HE1 H 1 7.217 0.01 . 3 . . . . 19 F HE . 15261 1 158 . 1 1 19 19 PHE HE2 H 1 7.217 0.01 . 3 . . . . 19 F HE . 15261 1 159 . 1 1 19 19 PHE N N 15 121.507 0.1 . 1 . . . . 19 F N . 15261 1 160 . 1 1 20 20 GLY H H 1 8.422 0.01 . 1 . . . . 20 G H . 15261 1 161 . 1 1 20 20 GLY HA2 H 1 3.742 0.01 . 2 . . . . 20 G HA . 15261 1 162 . 1 1 20 20 GLY HA3 H 1 3.742 0.01 . 2 . . . . 20 G HA . 15261 1 163 . 1 1 20 20 GLY N N 15 107.701 0.1 . 1 . . . . 20 G N . 15261 1 164 . 1 1 21 21 LYS H H 1 8.111 0.01 . 1 . . . . 21 K H . 15261 1 165 . 1 1 21 21 LYS HA H 1 4.053 0.01 . 1 . . . . 21 K HA . 15261 1 166 . 1 1 21 21 LYS HB2 H 1 1.837 0.01 . 2 . . . . 21 K HB . 15261 1 167 . 1 1 21 21 LYS HB3 H 1 1.837 0.01 . 2 . . . . 21 K HB . 15261 1 168 . 1 1 21 21 LYS HD2 H 1 1.525 0.01 . 1 . . . . 21 K HD2 . 15261 1 169 . 1 1 21 21 LYS HD3 H 1 1.673 0.01 . 1 . . . . 21 K HD3 . 15261 1 170 . 1 1 21 21 LYS HE2 H 1 2.954 0.01 . 2 . . . . 21 K HE . 15261 1 171 . 1 1 21 21 LYS HE3 H 1 2.954 0.01 . 2 . . . . 21 K HE . 15261 1 172 . 1 1 21 21 LYS HG2 H 1 1.393 0.01 . 2 . . . . 21 K HG . 15261 1 173 . 1 1 21 21 LYS HG3 H 1 1.393 0.01 . 2 . . . . 21 K HG . 15261 1 174 . 1 1 21 21 LYS N N 15 119.726 0.1 . 1 . . . . 21 K N . 15261 1 175 . 1 1 22 22 GLY H H 1 8.201 0.01 . 1 . . . . 22 G H . 15261 1 176 . 1 1 22 22 GLY HA2 H 1 3.859 0.01 . 2 . . . . 22 G HA . 15261 1 177 . 1 1 22 22 GLY HA3 H 1 3.859 0.01 . 2 . . . . 22 G HA . 15261 1 178 . 1 1 22 22 GLY N N 15 107.681 0.1 . 1 . . . . 22 G N . 15261 1 179 . 1 1 23 23 ALA H H 1 7.987 0.01 . 1 . . . . 23 A H . 15261 1 180 . 1 1 23 23 ALA HA H 1 4.142 0.01 . 1 . . . . 23 A HA . 15261 1 181 . 1 1 23 23 ALA HB1 H 1 1.333 0.01 . 1 . . . . 23 A HB . 15261 1 182 . 1 1 23 23 ALA HB2 H 1 1.333 0.01 . 1 . . . . 23 A HB . 15261 1 183 . 1 1 23 23 ALA HB3 H 1 1.333 0.01 . 1 . . . . 23 A HB . 15261 1 184 . 1 1 23 23 ALA N N 15 123.14 0.1 . 1 . . . . 23 A N . 15261 1 185 . 1 1 24 24 ILE H H 1 7.845 0.01 . 1 . . . . 24 I H . 15261 1 186 . 1 1 24 24 ILE HA H 1 3.992 0.01 . 1 . . . . 24 I HA . 15261 1 187 . 1 1 24 24 ILE HB H 1 1.93 0.01 . 1 . . . . 24 I HB . 15261 1 188 . 1 1 24 24 ILE HD11 H 1 0.916 0.01 . 1 . . . . 24 I HD1 . 15261 1 189 . 1 1 24 24 ILE HD12 H 1 0.916 0.01 . 1 . . . . 24 I HD1 . 15261 1 190 . 1 1 24 24 ILE HD13 H 1 0.916 0.01 . 1 . . . . 24 I HD1 . 15261 1 191 . 1 1 24 24 ILE HG12 H 1 1.584 0.01 . 2 . . . . 24 I HG1 . 15261 1 192 . 1 1 24 24 ILE HG13 H 1 1.584 0.01 . 2 . . . . 24 I HG1 . 15261 1 193 . 1 1 24 24 ILE HG21 H 1 1.217 0.01 . 1 . . . . 24 I HG2 . 15261 1 194 . 1 1 24 24 ILE HG22 H 1 1.217 0.01 . 1 . . . . 24 I HG2 . 15261 1 195 . 1 1 24 24 ILE HG23 H 1 1.217 0.01 . 1 . . . . 24 I HG2 . 15261 1 196 . 1 1 24 24 ILE N N 15 116.726 0.1 . 1 . . . . 24 I N . 15261 1 197 . 1 1 25 25 LYS H H 1 7.931 0.01 . 1 . . . . 25 K H . 15261 1 198 . 1 1 25 25 LYS HA H 1 4.254 0.01 . 1 . . . . 25 K HA . 15261 1 199 . 1 1 25 25 LYS HB2 H 1 1.841 0.01 . 2 . . . . 25 K HB . 15261 1 200 . 1 1 25 25 LYS HB3 H 1 1.841 0.01 . 2 . . . . 25 K HB . 15261 1 201 . 1 1 25 25 LYS HD2 H 1 1.666 0.01 . 2 . . . . 25 K HD . 15261 1 202 . 1 1 25 25 LYS HD3 H 1 1.666 0.01 . 2 . . . . 25 K HD . 15261 1 203 . 1 1 25 25 LYS HG2 H 1 1.478 0.01 . 1 . . . . 25 K HG2 . 15261 1 204 . 1 1 25 25 LYS HG3 H 1 1.412 0.01 . 1 . . . . 25 K HG3 . 15261 1 205 . 1 1 25 25 LYS N N 15 121.924 0.1 . 1 . . . . 25 K N . 15261 1 206 . 1 1 26 26 GLU H H 1 8.184 0.01 . 1 . . . . 26 E H . 15261 1 207 . 1 1 26 26 GLU HA H 1 4.237 0.01 . 1 . . . . 26 E HA . 15261 1 208 . 1 1 26 26 GLU HB2 H 1 2.025 0.01 . 1 . . . . 26 E HB2 . 15261 1 209 . 1 1 26 26 GLU HB3 H 1 2.091 0.01 . 1 . . . . 26 E HB3 . 15261 1 210 . 1 1 26 26 GLU HG2 H 1 2.447 0.01 . 2 . . . . 26 E HG . 15261 1 211 . 1 1 26 26 GLU HG3 H 1 2.447 0.01 . 2 . . . . 26 E HG . 15261 1 212 . 1 1 26 26 GLU N N 15 119.538 0.1 . 1 . . . . 26 E N . 15261 1 213 . 1 1 27 27 GLY H H 1 8.346 0.01 . 1 . . . . 27 G H . 15261 1 214 . 1 1 27 27 GLY HA2 H 1 3.801 0.01 . 1 . . . . 27 G HA2 . 15261 1 215 . 1 1 27 27 GLY HA3 H 1 3.615 0.01 . 1 . . . . 27 G HA3 . 15261 1 216 . 1 1 27 27 GLY N N 15 108.369 0.1 . 1 . . . . 27 G N . 15261 1 217 . 1 1 28 28 ASN H H 1 8.187 0.01 . 1 . . . . 28 N H . 15261 1 218 . 1 1 28 28 ASN HA H 1 4.605 0.01 . 1 . . . . 28 N HA . 15261 1 219 . 1 1 28 28 ASN HB2 H 1 2.805 0.01 . 2 . . . . 28 N HB . 15261 1 220 . 1 1 28 28 ASN HB3 H 1 2.805 0.01 . 2 . . . . 28 N HB . 15261 1 221 . 1 1 28 28 ASN HD21 H 1 7.67 0.01 . 1 . . . . 28 N HD21 . 15261 1 222 . 1 1 28 28 ASN HD22 H 1 6.947 0.01 . 1 . . . . 28 N HD22 . 15261 1 223 . 1 1 28 28 ASN N N 15 118.426 0.1 . 1 . . . . 28 N N . 15261 1 224 . 1 1 28 28 ASN ND2 N 15 112.458 0.1 . 1 . . . . 28 N ND2 . 15261 1 225 . 1 1 29 29 LYS H H 1 8.242 0.01 . 1 . . . . 29 K H . 15261 1 226 . 1 1 29 29 LYS HA H 1 4.099 0.01 . 1 . . . . 29 K HA . 15261 1 227 . 1 1 29 29 LYS HB2 H 1 1.813 0.01 . 2 . . . . 29 K HB . 15261 1 228 . 1 1 29 29 LYS HB3 H 1 1.813 0.01 . 2 . . . . 29 K HB . 15261 1 229 . 1 1 29 29 LYS HD2 H 1 1.65 0.01 . 2 . . . . 29 K HD . 15261 1 230 . 1 1 29 29 LYS HD3 H 1 1.65 0.01 . 2 . . . . 29 K HD . 15261 1 231 . 1 1 29 29 LYS HE2 H 1 2.954 0.01 . 2 . . . . 29 K HE . 15261 1 232 . 1 1 29 29 LYS HE3 H 1 2.954 0.01 . 2 . . . . 29 K HE . 15261 1 233 . 1 1 29 29 LYS HG2 H 1 1.419 0.01 . 2 . . . . 29 K HG . 15261 1 234 . 1 1 29 29 LYS HG3 H 1 1.419 0.01 . 2 . . . . 29 K HG . 15261 1 235 . 1 1 29 29 LYS N N 15 121.038 0.1 . 1 . . . . 29 K N . 15261 1 236 . 1 1 30 30 ASP H H 1 8.194 0.01 . 1 . . . . 30 D H . 15261 1 237 . 1 1 30 30 ASP HA H 1 4.562 0.01 . 1 . . . . 30 D HA . 15261 1 238 . 1 1 30 30 ASP HB2 H 1 2.781 0.01 . 2 . . . . 30 D HB . 15261 1 239 . 1 1 30 30 ASP HB3 H 1 2.781 0.01 . 2 . . . . 30 D HB . 15261 1 240 . 1 1 30 30 ASP N N 15 117.624 0.1 . 1 . . . . 30 D N . 15261 1 241 . 1 1 31 31 LYS H H 1 8.044 0.01 . 1 . . . . 31 K H . 15261 1 242 . 1 1 31 31 LYS HA H 1 4.094 0.01 . 1 . . . . 31 K HA . 15261 1 243 . 1 1 31 31 LYS HB2 H 1 1.707 0.01 . 2 . . . . 31 K HB . 15261 1 244 . 1 1 31 31 LYS HB3 H 1 1.707 0.01 . 2 . . . . 31 K HB . 15261 1 245 . 1 1 31 31 LYS HD2 H 1 1.48 0.01 . 1 . . . . 31 K HD2 . 15261 1 246 . 1 1 31 31 LYS HD3 H 1 1.564 0.01 . 1 . . . . 31 K HD3 . 15261 1 247 . 1 1 31 31 LYS HE2 H 1 2.912 0.01 . 2 . . . . 31 K HE . 15261 1 248 . 1 1 31 31 LYS HE3 H 1 2.912 0.01 . 2 . . . . 31 K HE . 15261 1 249 . 1 1 31 31 LYS HG2 H 1 1.251 0.01 . 2 . . . . 31 K HG . 15261 1 250 . 1 1 31 31 LYS HG3 H 1 1.251 0.01 . 2 . . . . 31 K HG . 15261 1 251 . 1 1 31 31 LYS N N 15 120.069 0.1 . 1 . . . . 31 K N . 15261 1 252 . 1 1 32 32 TRP H H 1 7.944 0.01 . 1 . . . . 32 W H . 15261 1 253 . 1 1 32 32 TRP HA H 1 4.466 0.01 . 1 . . . . 32 W HA . 15261 1 254 . 1 1 32 32 TRP HB2 H 1 3.247 0.01 . 1 . . . . 32 W HB2 . 15261 1 255 . 1 1 32 32 TRP HB3 H 1 3.324 0.01 . 1 . . . . 32 W HB3 . 15261 1 256 . 1 1 32 32 TRP HD1 H 1 7.263 0.01 . 1 . . . . 32 W HD1 . 15261 1 257 . 1 1 32 32 TRP HE1 H 1 10.491 0.01 . 1 . . . . 32 W HE1 . 15261 1 258 . 1 1 32 32 TRP HE3 H 1 7.484 0.01 . 1 . . . . 32 W HE3 . 15261 1 259 . 1 1 32 32 TRP HH2 H 1 7.071 0.01 . 1 . . . . 32 W HH2 . 15261 1 260 . 1 1 32 32 TRP HZ2 H 1 7.449 0.01 . 1 . . . . 32 W HZ2 . 15261 1 261 . 1 1 32 32 TRP HZ3 H 1 6.952 0.01 . 1 . . . . 32 W HZ3 . 15261 1 262 . 1 1 32 32 TRP N N 15 118.681 0.1 . 1 . . . . 32 W N . 15261 1 263 . 1 1 32 32 TRP NE1 N 15 129.828 0.1 . 1 . . . . 32 W NE1 . 15261 1 264 . 1 1 33 33 LYS H H 1 7.63 0.01 . 1 . . . . 33 K H . 15261 1 265 . 1 1 33 33 LYS HA H 1 4.079 0.01 . 1 . . . . 33 K HA . 15261 1 266 . 1 1 33 33 LYS HB2 H 1 1.725 0.01 . 2 . . . . 33 K HB . 15261 1 267 . 1 1 33 33 LYS HB3 H 1 1.725 0.01 . 2 . . . . 33 K HB . 15261 1 268 . 1 1 33 33 LYS HD2 H 1 1.617 0.01 . 2 . . . . 33 K HD . 15261 1 269 . 1 1 33 33 LYS HD3 H 1 1.617 0.01 . 2 . . . . 33 K HD . 15261 1 270 . 1 1 33 33 LYS HE2 H 1 2.938 0.01 . 2 . . . . 33 K HE . 15261 1 271 . 1 1 33 33 LYS HE3 H 1 2.938 0.01 . 2 . . . . 33 K HE . 15261 1 272 . 1 1 33 33 LYS HG2 H 1 1.234 0.01 . 2 . . . . 33 K HG . 15261 1 273 . 1 1 33 33 LYS HG3 H 1 1.234 0.01 . 2 . . . . 33 K HG . 15261 1 274 . 1 1 33 33 LYS N N 15 117.48 0.1 . 1 . . . . 33 K N . 15261 1 275 . 1 1 34 34 ASN H H 1 8.122 0.01 . 1 . . . . 34 N H . 15261 1 276 . 1 1 34 34 ASN HA H 1 4.727 0.01 . 1 . . . . 34 N HA . 15261 1 277 . 1 1 34 34 ASN HB2 H 1 2.704 0.01 . 1 . . . . 34 N HB2 . 15261 1 278 . 1 1 34 34 ASN HB3 H 1 2.913 0.01 . 1 . . . . 34 N HB3 . 15261 1 279 . 1 1 34 34 ASN HD21 H 1 7.673 0.01 . 1 . . . . 34 N HD21 . 15261 1 280 . 1 1 34 34 ASN HD22 H 1 6.906 0.01 . 1 . . . . 34 N HD22 . 15261 1 281 . 1 1 34 34 ASN N N 15 115.711 0.1 . 1 . . . . 34 N N . 15261 1 282 . 1 1 34 34 ASN ND2 N 15 112.607 0.1 . 1 . . . . 34 N ND2 . 15261 1 283 . 1 1 35 35 ILE H H 1 7.558 0.01 . 1 . . . . 35 I H . 15261 1 284 . 1 1 35 35 ILE HA H 1 4.163 0.01 . 1 . . . . 35 I HA . 15261 1 285 . 1 1 35 35 ILE HB H 1 1.983 0.01 . 1 . . . . 35 I HB . 15261 1 286 . 1 1 35 35 ILE HD11 H 1 0.961 0.01 . 1 . . . . 35 I HD1 . 15261 1 287 . 1 1 35 35 ILE HD12 H 1 0.961 0.01 . 1 . . . . 35 I HD1 . 15261 1 288 . 1 1 35 35 ILE HD13 H 1 0.961 0.01 . 1 . . . . 35 I HD1 . 15261 1 289 . 1 1 35 35 ILE HG12 H 1 1.551 0.01 . 1 . . . . 35 I HG1 . 15261 1 290 . 1 1 35 35 ILE HG13 H 1 1.551 0.01 . 1 . . . . 35 I HG1 . 15261 1 291 . 1 1 35 35 ILE HG21 H 1 1.332 0.01 . 1 . . . . 35 I HG2 . 15261 1 292 . 1 1 35 35 ILE HG22 H 1 1.332 0.01 . 1 . . . . 35 I HG2 . 15261 1 293 . 1 1 35 35 ILE HG23 H 1 1.332 0.01 . 1 . . . . 35 I HG2 . 15261 1 294 . 1 1 35 35 ILE N N 15 117.995 0.1 . 1 . . . . 35 I N . 15261 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15261 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C _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 6 '2D 1H-15N HSQC' . . . 15261 2 7 '2D 1H-1H TOCSY' . . . 15261 2 8 '2D 1H-1H NOESY' . . . 15261 2 9 '3D 1H-15N TOCSY' . . . 15261 2 10 '3D 1H-15N NOESY' . . . 15261 2 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 2 2 LYS H H 1 8.229 0.01 . 1 . . . . 2 K H . 15261 2 2 . 1 1 2 2 LYS HA H 1 4.346 0.01 . 1 . . . . 2 K HA . 15261 2 3 . 1 1 2 2 LYS HB2 H 1 1.681 0.01 . 2 . . . . 2 K HB . 15261 2 4 . 1 1 2 2 LYS HB3 H 1 1.681 0.01 . 2 . . . . 2 K HB . 15261 2 5 . 1 1 2 2 LYS HD2 H 1 1.62 0.01 . 2 . . . . 2 K HD . 15261 2 6 . 1 1 2 2 LYS HD3 H 1 1.62 0.01 . 2 . . . . 2 K HD . 15261 2 7 . 1 1 2 2 LYS HE2 H 1 2.894 0.01 . 2 . . . . 2 K HE . 15261 2 8 . 1 1 2 2 LYS HE3 H 1 2.894 0.01 . 2 . . . . 2 K HE . 15261 2 9 . 1 1 2 2 LYS HG2 H 1 1.396 0.01 . 1 . . . . 2 K HG2 . 15261 2 10 . 1 1 2 2 LYS HG3 H 1 1.307 0.01 . 1 . . . . 2 K HG3 . 15261 2 11 . 1 1 2 2 LYS N N 15 123.051 0.1 . 1 . . . . 2 K N . 15261 2 12 . 1 1 3 3 TRP H H 1 7.607 0.01 . 1 . . . . 3 W H . 15261 2 13 . 1 1 3 3 TRP HA H 1 4.57 0.01 . 1 . . . . 3 W HA . 15261 2 14 . 1 1 3 3 TRP HB2 H 1 3.137 0.01 . 2 . . . . 3 W HB . 15261 2 15 . 1 1 3 3 TRP HB3 H 1 3.137 0.01 . 2 . . . . 3 W HB . 15261 2 16 . 1 1 3 3 TRP HD1 H 1 7.139 0.01 . 1 . . . . 3 W HD1 . 15261 2 17 . 1 1 3 3 TRP HE1 H 1 9.383 0.01 . 1 . . . . 3 W HE1 . 15261 2 18 . 1 1 3 3 TRP HZ2 H 1 7.375 0.01 . 1 . . . . 3 W HZ2 . 15261 2 19 . 1 1 3 3 TRP N N 15 121.127 0.1 . 1 . . . . 3 W N . 15261 2 20 . 1 1 3 3 TRP NE1 N 15 126.916 0.1 . 1 . . . . 3 W NE1 . 15261 2 21 . 1 1 4 4 GLY H H 1 7.792 0.01 . 1 . . . . 4 G H . 15261 2 22 . 1 1 4 4 GLY HA2 H 1 3.862 0.01 . 1 . . . . 4 G HA2 . 15261 2 23 . 1 1 4 4 GLY HA3 H 1 3.696 0.01 . 1 . . . . 4 G HA3 . 15261 2 24 . 1 1 4 4 GLY N N 15 109.041 0.1 . 1 . . . . 4 G N . 15261 2 25 . 1 1 5 5 TRP H H 1 7.315 0.01 . 1 . . . . 5 W H . 15261 2 26 . 1 1 5 5 TRP HA H 1 4.442 0.01 . 1 . . . . 5 W HA . 15261 2 27 . 1 1 5 5 TRP HB2 H 1 3.273 0.01 . 1 . . . . 5 W HB2 . 15261 2 28 . 1 1 5 5 TRP HB3 H 1 3.226 0.01 . 1 . . . . 5 W HB3 . 15261 2 29 . 1 1 5 5 TRP HD1 H 1 7.153 0.01 . 1 . . . . 5 W HD1 . 15261 2 30 . 1 1 5 5 TRP HE1 H 1 9.323 0.01 . 1 . . . . 5 W HE1 . 15261 2 31 . 1 1 5 5 TRP HZ2 H 1 7.455 0.01 . 1 . . . . 5 W HZ2 . 15261 2 32 . 1 1 5 5 TRP N N 15 119.841 0.1 . 1 . . . . 5 W N . 15261 2 33 . 1 1 5 5 TRP NE1 N 15 127.036 0.1 . 1 . . . . 5 W NE1 . 15261 2 34 . 1 1 6 6 LEU H H 1 7.173 0.01 . 1 . . . . 6 L H . 15261 2 35 . 1 1 6 6 LEU HA H 1 3.983 0.01 . 1 . . . . 6 L HA . 15261 2 36 . 1 1 6 6 LEU HB2 H 1 1.416 0.01 . 2 . . . . 6 L HB . 15261 2 37 . 1 1 6 6 LEU HB3 H 1 1.416 0.01 . 2 . . . . 6 L HB . 15261 2 38 . 1 1 6 6 LEU HD11 H 1 0.84 0.01 . 1 . . . . 6 L HD1 . 15261 2 39 . 1 1 6 6 LEU HD12 H 1 0.84 0.01 . 1 . . . . 6 L HD1 . 15261 2 40 . 1 1 6 6 LEU HD13 H 1 0.84 0.01 . 1 . . . . 6 L HD1 . 15261 2 41 . 1 1 6 6 LEU HD21 H 1 0.744 0.01 . 1 . . . . 6 L HD2 . 15261 2 42 . 1 1 6 6 LEU HD22 H 1 0.744 0.01 . 1 . . . . 6 L HD2 . 15261 2 43 . 1 1 6 6 LEU HD23 H 1 0.744 0.01 . 1 . . . . 6 L HD2 . 15261 2 44 . 1 1 6 6 LEU HG H 1 1.345 0.01 . 1 . . . . 6 L HG . 15261 2 45 . 1 1 6 6 LEU N N 15 121.048 0.1 . 1 . . . . 6 L N . 15261 2 46 . 1 1 7 7 ALA H H 1 7.315 0.01 . 1 . . . . 7 A H . 15261 2 47 . 1 1 7 7 ALA HA H 1 4.039 0.01 . 1 . . . . 7 A HA . 15261 2 48 . 1 1 7 7 ALA HB1 H 1 1.211 0.01 . 1 . . . . 7 A HB . 15261 2 49 . 1 1 7 7 ALA HB2 H 1 1.211 0.01 . 1 . . . . 7 A HB . 15261 2 50 . 1 1 7 7 ALA HB3 H 1 1.211 0.01 . 1 . . . . 7 A HB . 15261 2 51 . 1 1 7 7 ALA N N 15 120.693 0.1 . 1 . . . . 7 A N . 15261 2 52 . 1 1 8 8 TRP H H 1 7.401 0.01 . 1 . . . . 8 W H . 15261 2 53 . 1 1 8 8 TRP HA H 1 4.6 0.01 . 1 . . . . 8 W HA . 15261 2 54 . 1 1 8 8 TRP HB2 H 1 3.338 0.01 . 2 . . . . 8 W HB . 15261 2 55 . 1 1 8 8 TRP HB3 H 1 3.338 0.01 . 2 . . . . 8 W HB . 15261 2 56 . 1 1 8 8 TRP HD1 H 1 7.107 0.01 . 1 . . . . 8 W HD1 . 15261 2 57 . 1 1 8 8 TRP HE1 H 1 9.266 0.01 . 1 . . . . 8 W HE1 . 15261 2 58 . 1 1 8 8 TRP N N 15 116.11 0.1 . 1 . . . . 8 W N . 15261 2 59 . 1 1 8 8 TRP NE1 N 15 126.562 0.1 . 1 . . . . 8 W NE1 . 15261 2 60 . 1 1 9 9 VAL H H 1 7.337 0.01 . 1 . . . . 9 V H . 15261 2 61 . 1 1 9 9 VAL HA H 1 4.069 0.01 . 1 . . . . 9 V HA . 15261 2 62 . 1 1 9 9 VAL HB H 1 2.091 0.01 . 1 . . . . 9 V HB . 15261 2 63 . 1 1 9 9 VAL HG11 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 64 . 1 1 9 9 VAL HG12 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 65 . 1 1 9 9 VAL HG13 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 66 . 1 1 9 9 VAL HG21 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 67 . 1 1 9 9 VAL HG22 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 68 . 1 1 9 9 VAL HG23 H 1 0.872 0.01 . 1 . . . . 9 V HG . 15261 2 69 . 1 1 9 9 VAL N N 15 117.572 0.1 . 1 . . . . 9 V N . 15261 2 70 . 1 1 10 10 ASP H H 1 7.696 0.01 . 1 . . . . 10 D H . 15261 2 71 . 1 1 10 10 ASP HA H 1 4.948 0.01 . 1 . . . . 10 D HA . 15261 2 72 . 1 1 10 10 ASP HB2 H 1 2.874 0.01 . 2 . . . . 10 D HB . 15261 2 73 . 1 1 10 10 ASP HB3 H 1 2.874 0.01 . 2 . . . . 10 D HB . 15261 2 74 . 1 1 10 10 ASP N N 15 120.39 0.1 . 1 . . . . 10 D N . 15261 2 75 . 1 1 11 11 PRO HA H 1 4.382 0.01 . 1 . . . . 11 P HA . 15261 2 76 . 1 1 11 11 PRO HB2 H 1 2.132 0.01 . 2 . . . . 11 P HB . 15261 2 77 . 1 1 11 11 PRO HB3 H 1 2.132 0.01 . 2 . . . . 11 P HB . 15261 2 78 . 1 1 11 11 PRO HD2 H 1 3.987 0.01 . 1 . . . . 11 P HD2 . 15261 2 79 . 1 1 11 11 PRO HD3 H 1 3.857 0.01 . 1 . . . . 11 P HD3 . 15261 2 80 . 1 1 11 11 PRO HG2 H 1 2.005 0.01 . 2 . . . . 11 P HG . 15261 2 81 . 1 1 11 11 PRO HG3 H 1 2.005 0.01 . 2 . . . . 11 P HG . 15261 2 82 . 1 1 12 12 ALA H H 1 7.502 0.01 . 1 . . . . 12 A H . 15261 2 83 . 1 1 12 12 ALA HA H 1 4.215 0.01 . 1 . . . . 12 A HA . 15261 2 84 . 1 1 12 12 ALA HB1 H 1 1.488 0.01 . 1 . . . . 12 A HB . 15261 2 85 . 1 1 12 12 ALA HB2 H 1 1.488 0.01 . 1 . . . . 12 A HB . 15261 2 86 . 1 1 12 12 ALA HB3 H 1 1.488 0.01 . 1 . . . . 12 A HB . 15261 2 87 . 1 1 12 12 ALA N N 15 119.005 0.1 . 1 . . . . 12 A N . 15261 2 88 . 1 1 13 13 TYR H H 1 7.56 0.01 . 1 . . . . 13 Y H . 15261 2 89 . 1 1 13 13 TYR HA H 1 4.284 0.01 . 1 . . . . 13 Y HA . 15261 2 90 . 1 1 13 13 TYR HB2 H 1 3.18 0.01 . 2 . . . . 13 Y HB . 15261 2 91 . 1 1 13 13 TYR HB3 H 1 3.18 0.01 . 2 . . . . 13 Y HB . 15261 2 92 . 1 1 13 13 TYR HD1 H 1 7.104 0.01 . 3 . . . . 13 Y HD . 15261 2 93 . 1 1 13 13 TYR HD2 H 1 7.104 0.01 . 3 . . . . 13 Y HD . 15261 2 94 . 1 1 13 13 TYR N N 15 116.695 0.1 . 1 . . . . 13 Y N . 15261 2 95 . 1 1 14 14 GLU H H 1 7.808 0.01 . 1 . . . . 14 E H . 15261 2 96 . 1 1 14 14 GLU HA H 1 4.026 0.01 . 1 . . . . 14 E HA . 15261 2 97 . 1 1 14 14 GLU HB2 H 1 2.177 0.01 . 2 . . . . 14 E HB . 15261 2 98 . 1 1 14 14 GLU HB3 H 1 2.177 0.01 . 2 . . . . 14 E HB . 15261 2 99 . 1 1 14 14 GLU HG2 H 1 2.564 0.01 . 2 . . . . 14 E HG . 15261 2 100 . 1 1 14 14 GLU HG3 H 1 2.564 0.01 . 2 . . . . 14 E HG . 15261 2 101 . 1 1 14 14 GLU N N 15 116.429 0.1 . 1 . . . . 14 E N . 15261 2 102 . 1 1 15 15 PHE H H 1 8.128 0.01 . 1 . . . . 15 F H . 15261 2 103 . 1 1 15 15 PHE HA H 1 4.333 0.01 . 1 . . . . 15 F HA . 15261 2 104 . 1 1 15 15 PHE HB2 H 1 3.322 0.01 . 1 . . . . 15 F HB2 . 15261 2 105 . 1 1 15 15 PHE HB3 H 1 3.265 0.01 . 1 . . . . 15 F HB3 . 15261 2 106 . 1 1 15 15 PHE HD1 H 1 7.234 0.01 . 3 . . . . 15 F HD . 15261 2 107 . 1 1 15 15 PHE HD2 H 1 7.234 0.01 . 3 . . . . 15 F HD . 15261 2 108 . 1 1 15 15 PHE HE1 H 1 7.11 0.01 . 3 . . . . 15 F HE . 15261 2 109 . 1 1 15 15 PHE HE2 H 1 7.11 0.01 . 3 . . . . 15 F HE . 15261 2 110 . 1 1 15 15 PHE N N 15 120.563 0.1 . 1 . . . . 15 F N . 15261 2 111 . 1 1 16 16 ILE H H 1 8.288 0.01 . 1 . . . . 16 I H . 15261 2 112 . 1 1 16 16 ILE HA H 1 3.783 0.01 . 1 . . . . 16 I HA . 15261 2 113 . 1 1 16 16 ILE HB H 1 1.985 0.01 . 1 . . . . 16 I HB . 15261 2 114 . 1 1 16 16 ILE HD11 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 2 115 . 1 1 16 16 ILE HD12 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 2 116 . 1 1 16 16 ILE HD13 H 1 0.942 0.01 . 1 . . . . 16 I HD1 . 15261 2 117 . 1 1 16 16 ILE HG12 H 1 1.006 0.01 . 2 . . . . 16 I HG1 . 15261 2 118 . 1 1 16 16 ILE HG13 H 1 1.006 0.01 . 2 . . . . 16 I HG1 . 15261 2 119 . 1 1 16 16 ILE HG21 H 1 1.869 0.01 . 1 . . . . 16 I HG2 . 15261 2 120 . 1 1 16 16 ILE HG22 H 1 1.869 0.01 . 1 . . . . 16 I HG2 . 15261 2 121 . 1 1 16 16 ILE HG23 H 1 1.869 0.01 . 1 . . . . 16 I HG2 . 15261 2 122 . 1 1 16 16 ILE N N 15 120.326 0.1 . 1 . . . . 16 I N . 15261 2 123 . 1 1 17 17 LYS H H 1 8.064 0.01 . 1 . . . . 17 K H . 15261 2 124 . 1 1 17 17 LYS HA H 1 4.038 0.01 . 1 . . . . 17 K HA . 15261 2 125 . 1 1 17 17 LYS HB2 H 1 1.71 0.01 . 2 . . . . 17 K HB . 15261 2 126 . 1 1 17 17 LYS HB3 H 1 1.71 0.01 . 2 . . . . 17 K HB . 15261 2 127 . 1 1 17 17 LYS HD2 H 1 1.596 0.01 . 2 . . . . 17 K HD . 15261 2 128 . 1 1 17 17 LYS HD3 H 1 1.596 0.01 . 2 . . . . 17 K HD . 15261 2 129 . 1 1 17 17 LYS HE2 H 1 2.913 0.01 . 2 . . . . 17 K HE . 15261 2 130 . 1 1 17 17 LYS HE3 H 1 2.913 0.01 . 2 . . . . 17 K HE . 15261 2 131 . 1 1 17 17 LYS HG2 H 1 1.355 0.01 . 1 . . . . 17 K HG2 . 15261 2 132 . 1 1 17 17 LYS HG3 H 1 1.32 0.01 . 1 . . . . 17 K HG3 . 15261 2 133 . 1 1 17 17 LYS N N 15 119.678 0.1 . 1 . . . . 17 K N . 15261 2 134 . 1 1 18 18 GLY H H 1 7.888 0.01 . 1 . . . . 18 G H . 15261 2 135 . 1 1 18 18 GLY HA2 H 1 3.927 0.01 . 1 . . . . 18 G HA2 . 15261 2 136 . 1 1 18 18 GLY HA3 H 1 3.823 0.01 . 1 . . . . 18 G HA3 . 15261 2 137 . 1 1 18 18 GLY N N 15 106.517 0.1 . 1 . . . . 18 G N . 15261 2 138 . 1 1 19 19 PHE H H 1 8.134 0.01 . 1 . . . . 19 F H . 15261 2 139 . 1 1 19 19 PHE HA H 1 4.318 0.01 . 1 . . . . 19 F HA . 15261 2 140 . 1 1 19 19 PHE HB2 H 1 3.092 0.01 . 1 . . . . 19 F HB2 . 15261 2 141 . 1 1 19 19 PHE HB3 H 1 2.976 0.01 . 1 . . . . 19 F HB3 . 15261 2 142 . 1 1 19 19 PHE HD1 H 1 7.185 0.01 . 3 . . . . 19 F HD . 15261 2 143 . 1 1 19 19 PHE HD2 H 1 7.185 0.01 . 3 . . . . 19 F HD . 15261 2 144 . 1 1 19 19 PHE HE1 H 1 7.266 0.01 . 3 . . . . 19 F HE . 15261 2 145 . 1 1 19 19 PHE HE2 H 1 7.266 0.01 . 3 . . . . 19 F HE . 15261 2 146 . 1 1 19 19 PHE N N 15 122.491 0.1 . 1 . . . . 19 F N . 15261 2 147 . 1 1 20 20 GLY H H 1 8.263 0.01 . 1 . . . . 20 G H . 15261 2 148 . 1 1 20 20 GLY HA2 H 1 3.855 0.01 . 2 . . . . 20 G HA . 15261 2 149 . 1 1 20 20 GLY HA3 H 1 3.855 0.01 . 2 . . . . 20 G HA . 15261 2 150 . 1 1 20 20 GLY N N 15 108.589 0.1 . 1 . . . . 20 G N . 15261 2 151 . 1 1 21 21 LYS H H 1 7.794 0.01 . 1 . . . . 21 K H . 15261 2 152 . 1 1 21 21 LYS HA H 1 4.15 0.01 . 1 . . . . 21 K HA . 15261 2 153 . 1 1 21 21 LYS HB2 H 1 1.929 0.01 . 2 . . . . 21 K HB . 15261 2 154 . 1 1 21 21 LYS HB3 H 1 1.929 0.01 . 2 . . . . 21 K HB . 15261 2 155 . 1 1 21 21 LYS HD2 H 1 1.729 0.01 . 2 . . . . 21 K HD . 15261 2 156 . 1 1 21 21 LYS HD3 H 1 1.729 0.01 . 2 . . . . 21 K HD . 15261 2 157 . 1 1 21 21 LYS HG2 H 1 1.602 0.01 . 1 . . . . 21 K HG2 . 15261 2 158 . 1 1 21 21 LYS HG3 H 1 1.469 0.01 . 1 . . . . 21 K HG3 . 15261 2 159 . 1 1 21 21 LYS N N 15 119.315 0.1 . 1 . . . . 21 K N . 15261 2 160 . 1 1 22 22 GLY H H 1 8.007 0.01 . 1 . . . . 22 G H . 15261 2 161 . 1 1 22 22 GLY HA2 H 1 3.862 0.01 . 2 . . . . 22 G HA . 15261 2 162 . 1 1 22 22 GLY HA3 H 1 3.862 0.01 . 2 . . . . 22 G HA . 15261 2 163 . 1 1 22 22 GLY N N 15 106.649 0.1 . 1 . . . . 22 G N . 15261 2 164 . 1 1 23 23 ALA H H 1 7.819 0.01 . 1 . . . . 23 A H . 15261 2 165 . 1 1 23 23 ALA HA H 1 4.14 0.01 . 1 . . . . 23 A HA . 15261 2 166 . 1 1 23 23 ALA HB1 H 1 1.473 0.01 . 1 . . . . 23 A HB . 15261 2 167 . 1 1 23 23 ALA HB2 H 1 1.473 0.01 . 1 . . . . 23 A HB . 15261 2 168 . 1 1 23 23 ALA HB3 H 1 1.473 0.01 . 1 . . . . 23 A HB . 15261 2 169 . 1 1 23 23 ALA N N 15 123.688 0.1 . 1 . . . . 23 A N . 15261 2 170 . 1 1 24 24 ILE H H 1 7.752 0.01 . 1 . . . . 24 I H . 15261 2 171 . 1 1 24 24 ILE HA H 1 3.883 0.01 . 1 . . . . 24 I HA . 15261 2 172 . 1 1 24 24 ILE HB H 1 2.017 0.01 . 1 . . . . 24 I HB . 15261 2 173 . 1 1 24 24 ILE HD11 H 1 0.925 0.01 . 1 . . . . 24 I HD1 . 15261 2 174 . 1 1 24 24 ILE HD12 H 1 0.925 0.01 . 1 . . . . 24 I HD1 . 15261 2 175 . 1 1 24 24 ILE HD13 H 1 0.925 0.01 . 1 . . . . 24 I HD1 . 15261 2 176 . 1 1 24 24 ILE HG12 H 1 1.26 0.01 . 2 . . . . 24 I HG1 . 15261 2 177 . 1 1 24 24 ILE HG13 H 1 1.26 0.01 . 2 . . . . 24 I HG1 . 15261 2 178 . 1 1 24 24 ILE HG21 H 1 0.967 0.01 . 1 . . . . 24 I HG2 . 15261 2 179 . 1 1 24 24 ILE HG22 H 1 0.967 0.01 . 1 . . . . 24 I HG2 . 15261 2 180 . 1 1 24 24 ILE HG23 H 1 0.967 0.01 . 1 . . . . 24 I HG2 . 15261 2 181 . 1 1 24 24 ILE N N 15 118.608 0.1 . 1 . . . . 24 I N . 15261 2 182 . 1 1 25 25 LYS H H 1 7.885 0.01 . 1 . . . . 25 K H . 15261 2 183 . 1 1 25 25 LYS HA H 1 4.122 0.01 . 1 . . . . 25 K HA . 15261 2 184 . 1 1 25 25 LYS HB2 H 1 1.959 0.01 . 2 . . . . 25 K HB . 15261 2 185 . 1 1 25 25 LYS HB3 H 1 1.959 0.01 . 2 . . . . 25 K HB . 15261 2 186 . 1 1 25 25 LYS HD2 H 1 1.731 0.01 . 2 . . . . 25 K HD . 15261 2 187 . 1 1 25 25 LYS HD3 H 1 1.731 0.01 . 2 . . . . 25 K HD . 15261 2 188 . 1 1 25 25 LYS HE2 H 1 2.981 0.01 . 2 . . . . 25 K HE . 15261 2 189 . 1 1 25 25 LYS HE3 H 1 2.981 0.01 . 2 . . . . 25 K HE . 15261 2 190 . 1 1 25 25 LYS HG2 H 1 1.622 0.01 . 1 . . . . 25 K HG2 . 15261 2 191 . 1 1 25 25 LYS HG3 H 1 1.474 0.01 . 1 . . . . 25 K HG3 . 15261 2 192 . 1 1 25 25 LYS N N 15 120.884 0.1 . 1 . . . . 25 K N . 15261 2 193 . 1 1 26 26 GLU H H 1 8.257 0.01 . 1 . . . . 26 E H . 15261 2 194 . 1 1 26 26 GLU HA H 1 4.217 0.01 . 1 . . . . 26 E HA . 15261 2 195 . 1 1 26 26 GLU HB2 H 1 2.177 0.01 . 2 . . . . 26 E HB . 15261 2 196 . 1 1 26 26 GLU HB3 H 1 2.177 0.01 . 2 . . . . 26 E HB . 15261 2 197 . 1 1 26 26 GLU HG2 H 1 2.55 0.01 . 2 . . . . 26 E HG . 15261 2 198 . 1 1 26 26 GLU HG3 H 1 2.55 0.01 . 2 . . . . 26 E HG . 15261 2 199 . 1 1 26 26 GLU N N 15 118.156 0.1 . 1 . . . . 26 E N . 15261 2 200 . 1 1 27 27 GLY H H 1 8.223 0.01 . 1 . . . . 27 G H . 15261 2 201 . 1 1 27 27 GLY HA2 H 1 3.912 0.01 . 1 . . . . 27 G HA2 . 15261 2 202 . 1 1 27 27 GLY HA3 H 1 3.835 0.01 . 1 . . . . 27 G HA3 . 15261 2 203 . 1 1 27 27 GLY N N 15 107.367 0.1 . 1 . . . . 27 G N . 15261 2 204 . 1 1 28 28 ASN H H 1 7.959 0.01 . 1 . . . . 28 N H . 15261 2 205 . 1 1 28 28 ASN HA H 1 4.629 0.01 . 1 . . . . 28 N HA . 15261 2 206 . 1 1 28 28 ASN HB2 H 1 2.902 0.01 . 1 . . . . 28 N HB2 . 15261 2 207 . 1 1 28 28 ASN HB3 H 1 2.828 0.01 . 1 . . . . 28 N HB3 . 15261 2 208 . 1 1 28 28 ASN HD21 H 1 7.373 0.01 . 1 . . . . 28 N HD21 . 15261 2 209 . 1 1 28 28 ASN HD22 H 1 6.397 0.01 . 1 . . . . 28 N HD22 . 15261 2 210 . 1 1 28 28 ASN N N 15 118.768 0.1 . 1 . . . . 28 N N . 15261 2 211 . 1 1 28 28 ASN ND2 N 15 110.066 0.1 . 1 . . . . 28 N ND2 . 15261 2 212 . 1 1 29 29 LYS H H 1 7.951 0.01 . 1 . . . . 29 K H . 15261 2 213 . 1 1 29 29 LYS HA H 1 4.122 0.01 . 1 . . . . 29 K HA . 15261 2 214 . 1 1 29 29 LYS HB2 H 1 1.953 0.01 . 2 . . . . 29 K HB . 15261 2 215 . 1 1 29 29 LYS HB3 H 1 1.953 0.01 . 2 . . . . 29 K HB . 15261 2 216 . 1 1 29 29 LYS HD2 H 1 1.742 0.01 . 2 . . . . 29 K HD . 15261 2 217 . 1 1 29 29 LYS HD3 H 1 1.742 0.01 . 2 . . . . 29 K HD . 15261 2 218 . 1 1 29 29 LYS HG2 H 1 1.569 0.01 . 1 . . . . 29 K HG2 . 15261 2 219 . 1 1 29 29 LYS HG3 H 1 1.512 0.01 . 1 . . . . 29 K HG3 . 15261 2 220 . 1 1 29 29 LYS N N 15 120.597 0.1 . 1 . . . . 29 K N . 15261 2 221 . 1 1 30 30 ASP H H 1 8.063 0.01 . 1 . . . . 30 D H . 15261 2 222 . 1 1 30 30 ASP HA H 1 4.609 0.01 . 1 . . . . 30 D HA . 15261 2 223 . 1 1 30 30 ASP HB2 H 1 2.922 0.01 . 2 . . . . 30 D HB . 15261 2 224 . 1 1 30 30 ASP HB3 H 1 2.922 0.01 . 2 . . . . 30 D HB . 15261 2 225 . 1 1 30 30 ASP N N 15 116.482 0.1 . 1 . . . . 30 D N . 15261 2 226 . 1 1 31 31 LYS H H 1 7.688 0.01 . 1 . . . . 31 K H . 15261 2 227 . 1 1 31 31 LYS HA H 1 4.135 0.01 . 1 . . . . 31 K HA . 15261 2 228 . 1 1 31 31 LYS HB2 H 1 1.767 0.01 . 2 . . . . 31 K HB . 15261 2 229 . 1 1 31 31 LYS HB3 H 1 1.767 0.01 . 2 . . . . 31 K HB . 15261 2 230 . 1 1 31 31 LYS HD2 H 1 1.633 0.01 . 2 . . . . 31 K HD . 15261 2 231 . 1 1 31 31 LYS HD3 H 1 1.633 0.01 . 2 . . . . 31 K HD . 15261 2 232 . 1 1 31 31 LYS HG2 H 1 1.32 0.01 . 2 . . . . 31 K HG . 15261 2 233 . 1 1 31 31 LYS HG3 H 1 1.32 0.01 . 2 . . . . 31 K HG . 15261 2 234 . 1 1 31 31 LYS N N 15 120.092 0.1 . 1 . . . . 31 K N . 15261 2 235 . 1 1 32 32 TRP H H 1 7.628 0.01 . 1 . . . . 32 W H . 15261 2 236 . 1 1 32 32 TRP HA H 1 4.622 0.01 . 1 . . . . 32 W HA . 15261 2 237 . 1 1 32 32 TRP HB2 H 1 3.399 0.01 . 1 . . . . 32 W HB2 . 15261 2 238 . 1 1 32 32 TRP HB3 H 1 3.335 0.01 . 1 . . . . 32 W HB3 . 15261 2 239 . 1 1 32 32 TRP HD1 H 1 7.235 0.01 . 1 . . . . 32 W HD1 . 15261 2 240 . 1 1 32 32 TRP HE1 H 1 9.489 0.01 . 1 . . . . 32 W HE1 . 15261 2 241 . 1 1 32 32 TRP HZ2 H 1 7.454 0.01 . 1 . . . . 32 W HZ2 . 15261 2 242 . 1 1 32 32 TRP N N 15 118.977 0.1 . 1 . . . . 32 W N . 15261 2 243 . 1 1 32 32 TRP NE1 N 15 126.905 0.1 . 1 . . . . 32 W NE1 . 15261 2 244 . 1 1 33 33 LYS H H 1 7.531 0.01 . 1 . . . . 33 K H . 15261 2 245 . 1 1 33 33 LYS HA H 1 4.282 0.01 . 1 . . . . 33 K HA . 15261 2 246 . 1 1 33 33 LYS HB2 H 1 1.716 0.01 . 2 . . . . 33 K HB . 15261 2 247 . 1 1 33 33 LYS HB3 H 1 1.716 0.01 . 2 . . . . 33 K HB . 15261 2 248 . 1 1 33 33 LYS HD2 H 1 1.831 0.01 . 2 . . . . 33 K HD . 15261 2 249 . 1 1 33 33 LYS HD3 H 1 1.831 0.01 . 2 . . . . 33 K HD . 15261 2 250 . 1 1 33 33 LYS HG2 H 1 1.352 0.01 . 2 . . . . 33 K HG . 15261 2 251 . 1 1 33 33 LYS HG3 H 1 1.352 0.01 . 2 . . . . 33 K HG . 15261 2 252 . 1 1 33 33 LYS N N 15 119.819 0.1 . 1 . . . . 33 K N . 15261 2 253 . 1 1 34 34 ASN H H 1 7.865 0.01 . 1 . . . . 34 N H . 15261 2 254 . 1 1 34 34 ASN HA H 1 4.757 0.01 . 1 . . . . 34 N HA . 15261 2 255 . 1 1 34 34 ASN HB2 H 1 2.822 0.01 . 1 . . . . 34 N HB2 . 15261 2 256 . 1 1 34 34 ASN HB3 H 1 2.75 0.01 . 1 . . . . 34 N HB3 . 15261 2 257 . 1 1 34 34 ASN HD21 H 1 7.107 0.01 . 1 . . . . 34 N HD21 . 15261 2 258 . 1 1 34 34 ASN HD22 H 1 6.376 0.01 . 1 . . . . 34 N HD22 . 15261 2 259 . 1 1 34 34 ASN N N 15 117.811 0.1 . 1 . . . . 34 N N . 15261 2 260 . 1 1 34 34 ASN ND2 N 15 109.418 0.1 . 1 . . . . 34 N ND2 . 15261 2 261 . 1 1 35 35 ILE H H 1 7.598 0.01 . 1 . . . . 35 I H . 15261 2 262 . 1 1 35 35 ILE HA H 1 4.386 0.01 . 1 . . . . 35 I HA . 15261 2 263 . 1 1 35 35 ILE HB H 1 1.985 0.01 . 1 . . . . 35 I HB . 15261 2 264 . 1 1 35 35 ILE HD11 H 1 0.979 0.01 . 1 . . . . 35 I HD1 . 15261 2 265 . 1 1 35 35 ILE HD12 H 1 0.979 0.01 . 1 . . . . 35 I HD1 . 15261 2 266 . 1 1 35 35 ILE HD13 H 1 0.979 0.01 . 1 . . . . 35 I HD1 . 15261 2 267 . 1 1 35 35 ILE HG12 H 1 1.543 0.01 . 2 . . . . 35 I HG1 . 15261 2 268 . 1 1 35 35 ILE HG13 H 1 1.543 0.01 . 2 . . . . 35 I HG1 . 15261 2 269 . 1 1 35 35 ILE N N 15 118.608 0.1 . 1 . . . . 35 I N . 15261 2 stop_ save_