data_19174 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19174 _Entry.Title ; Structure of the Regulatory Domain of Human Brain Carnitine Palmitoyltransferase 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-18 _Entry.Accession_date 2013-04-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Soma Samanta . . . 19174 2 Alan Situ . J. . 19174 3 Tobias Ulmer . S. . 19174 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19174 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl transfer' . 19174 carnitine . 19174 'malonyl-coenzyme A' . 19174 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19174 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 91 19174 '15N chemical shifts' 47 19174 '1H chemical shifts' 47 19174 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 . . 2014-02-05 2013-04-18 update BMRB 'update entry citation' 19174 1 . . 2013-09-10 2013-04-18 original author 'original release' 19174 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M76 'BMRB Entry Tracking System' 19174 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19174 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24037959 _Citation.Full_citation . _Citation.Title 'Structural characterization of the regulatory domain of brain carnitine palmitoyltransferase 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full Biopolymers _Citation.Journal_volume 101 _Citation.Journal_issue 4 _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 398 _Citation.Page_last 405 _Citation.Year 2014 _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 Soma Samanta . . . 19174 1 2 Alan Situ . J. . 19174 1 3 Tobias Ulmer . S. . 19174 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19174 _Assembly.ID 1 _Assembly.Name 'Regulatory Domain of Human Brain Carnitine Palmitoyltransferase 1' _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 Palmitoyltransferase_1 1 $Palmitoyltransferase_1 A . yes native no no . . . 19174 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Palmitoyltransferase_1 _Entity.Sf_category entity _Entity.Sf_framecode Palmitoyltransferase_1 _Entity.Entry_ID 19174 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Palmitoyltransferase_1 _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 ; MAEAHQAVGFRPSLTSDGAE VELSAPVLQEIYLSGLRSWK RHLSRFWNDF ; _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 50 _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 5711.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M76 . "Structure Of The Regulatory Domain Of Human Brain Carnitine Palmitoyltransferase 1" . . . . . 100.00 50 100.00 100.00 1.37e-27 . . . . 19174 1 2 no DBJ BAF82402 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 3.16e-24 . . . . 19174 1 3 no DBJ BAF82781 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 4 no EMBL CAH90871 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 803 98.00 98.00 3.04e-23 . . . . 19174 1 5 no GB AAH29104 . "CPT1C protein [Homo sapiens]" . . . . . 100.00 792 100.00 100.00 3.16e-24 . . . . 19174 1 6 no GB AAL99615 . "carnitine palmitoyltransferase IC [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 7 no GB AAQ14875 . "carnitine acyltransferase-like protein 1 [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 8 no GB ABM82478 . "carnitine palmitoyltransferase 1C [synthetic construct]" . . . . . 100.00 792 100.00 100.00 3.16e-24 . . . . 19174 1 9 no GB ABM85665 . "carnitine palmitoyltransferase 1C [synthetic construct]" . . . . . 100.00 792 100.00 100.00 3.16e-24 . . . . 19174 1 10 no REF NP_001125498 . "carnitine O-palmitoyltransferase 1, brain isoform [Pongo abelii]" . . . . . 100.00 803 98.00 98.00 3.04e-23 . . . . 19174 1 11 no REF NP_001129524 . "carnitine O-palmitoyltransferase 1, brain isoform isoform 1 [Homo sapiens]" . . . . . 100.00 792 100.00 100.00 3.16e-24 . . . . 19174 1 12 no REF NP_001186681 . "carnitine O-palmitoyltransferase 1, brain isoform isoform 2 [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 13 no REF NP_001186682 . "carnitine O-palmitoyltransferase 1, brain isoform isoform 2 [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 14 no REF NP_689572 . "carnitine O-palmitoyltransferase 1, brain isoform isoform 2 [Homo sapiens]" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 1 15 no SP Q8TCG5 . "RecName: Full=Carnitine O-palmitoyltransferase 1, brain isoform; Short=CPT1-B; AltName: Full=CPT IC; AltName: Full=Carnitine O-" . . . . . 100.00 803 100.00 100.00 2.86e-24 . . . . 19174 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 1 MET . 19174 1 2 2 ALA . 19174 1 3 3 GLU . 19174 1 4 4 ALA . 19174 1 5 5 HIS . 19174 1 6 6 GLN . 19174 1 7 7 ALA . 19174 1 8 8 VAL . 19174 1 9 9 GLY . 19174 1 10 10 PHE . 19174 1 11 11 ARG . 19174 1 12 12 PRO . 19174 1 13 13 SER . 19174 1 14 14 LEU . 19174 1 15 15 THR . 19174 1 16 16 SER . 19174 1 17 17 ASP . 19174 1 18 18 GLY . 19174 1 19 19 ALA . 19174 1 20 20 GLU . 19174 1 21 21 VAL . 19174 1 22 22 GLU . 19174 1 23 23 LEU . 19174 1 24 24 SER . 19174 1 25 25 ALA . 19174 1 26 26 PRO . 19174 1 27 27 VAL . 19174 1 28 28 LEU . 19174 1 29 29 GLN . 19174 1 30 30 GLU . 19174 1 31 31 ILE . 19174 1 32 32 TYR . 19174 1 33 33 LEU . 19174 1 34 34 SER . 19174 1 35 35 GLY . 19174 1 36 36 LEU . 19174 1 37 37 ARG . 19174 1 38 38 SER . 19174 1 39 39 TRP . 19174 1 40 40 LYS . 19174 1 41 41 ARG . 19174 1 42 42 HIS . 19174 1 43 43 LEU . 19174 1 44 44 SER . 19174 1 45 45 ARG . 19174 1 46 46 PHE . 19174 1 47 47 TRP . 19174 1 48 48 ASN . 19174 1 49 49 ASP . 19174 1 50 50 PHE . 19174 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19174 1 . ALA 2 2 19174 1 . GLU 3 3 19174 1 . ALA 4 4 19174 1 . HIS 5 5 19174 1 . GLN 6 6 19174 1 . ALA 7 7 19174 1 . VAL 8 8 19174 1 . GLY 9 9 19174 1 . PHE 10 10 19174 1 . ARG 11 11 19174 1 . PRO 12 12 19174 1 . SER 13 13 19174 1 . LEU 14 14 19174 1 . THR 15 15 19174 1 . SER 16 16 19174 1 . ASP 17 17 19174 1 . GLY 18 18 19174 1 . ALA 19 19 19174 1 . GLU 20 20 19174 1 . VAL 21 21 19174 1 . GLU 22 22 19174 1 . LEU 23 23 19174 1 . SER 24 24 19174 1 . ALA 25 25 19174 1 . PRO 26 26 19174 1 . VAL 27 27 19174 1 . LEU 28 28 19174 1 . GLN 29 29 19174 1 . GLU 30 30 19174 1 . ILE 31 31 19174 1 . TYR 32 32 19174 1 . LEU 33 33 19174 1 . SER 34 34 19174 1 . GLY 35 35 19174 1 . LEU 36 36 19174 1 . ARG 37 37 19174 1 . SER 38 38 19174 1 . TRP 39 39 19174 1 . LYS 40 40 19174 1 . ARG 41 41 19174 1 . HIS 42 42 19174 1 . LEU 43 43 19174 1 . SER 44 44 19174 1 . ARG 45 45 19174 1 . PHE 46 46 19174 1 . TRP 47 47 19174 1 . ASN 48 48 19174 1 . ASP 49 49 19174 1 . PHE 50 50 19174 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 19174 _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 $Palmitoyltransferase_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19174 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 19174 _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 $Palmitoyltransferase_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET44-NCPT1C . . . . . . 19174 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19174 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Palmitoyltransferase_1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Palmitoyltransferase_1 . . 0.5 . . mM . . . . 19174 1 2 'dodecyltrimethylammonium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19174 1 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 19174 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19174 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19174 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19174 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.175 . M 19174 1 pH 5.6 . pH 19174 1 pressure 1 . atm 19174 1 temperature 308.2 . K 19174 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19174 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19174 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19174 1 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 19174 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19174 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19174 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 19174 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19174 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19174 1 3 'Quant J correlation' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19174 1 4 'Quant J correlation' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19174 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 19174 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19174 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19174 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19174 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19174 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 19174 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 19174 1 2 '3D HNCACB' . . . 19174 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 2 2 ALA H H 1 8.593 0.020 . 1 . . . A 2 ALA H . 19174 1 2 . 1 1 2 2 ALA CA C 13 52.536 0.3 . 1 . . . A 2 ALA CA . 19174 1 3 . 1 1 2 2 ALA CB C 13 19.031 0.3 . 1 . . . A 2 ALA CB . 19174 1 4 . 1 1 2 2 ALA N N 15 127.400 0.3 . 1 . . . A 2 ALA N . 19174 1 5 . 1 1 3 3 GLU H H 1 8.301 0.020 . 1 . . . A 3 GLU H . 19174 1 6 . 1 1 3 3 GLU CA C 13 56.295 0.3 . 1 . . . A 3 GLU CA . 19174 1 7 . 1 1 3 3 GLU CB C 13 29.939 0.3 . 1 . . . A 3 GLU CB . 19174 1 8 . 1 1 3 3 GLU N N 15 120.977 0.3 . 1 . . . A 3 GLU N . 19174 1 9 . 1 1 4 4 ALA H H 1 8.229 0.020 . 1 . . . A 4 ALA H . 19174 1 10 . 1 1 4 4 ALA CA C 13 52.509 0.3 . 1 . . . A 4 ALA CA . 19174 1 11 . 1 1 4 4 ALA CB C 13 19.084 0.3 . 1 . . . A 4 ALA CB . 19174 1 12 . 1 1 4 4 ALA N N 15 125.568 0.3 . 1 . . . A 4 ALA N . 19174 1 13 . 1 1 5 5 HIS H H 1 8.363 0.020 . 1 . . . A 5 HIS H . 19174 1 14 . 1 1 5 5 HIS CA C 13 55.157 0.3 . 1 . . . A 5 HIS CA . 19174 1 15 . 1 1 5 5 HIS CB C 13 28.827 0.3 . 1 . . . A 5 HIS CB . 19174 1 16 . 1 1 5 5 HIS N N 15 117.815 0.3 . 1 . . . A 5 HIS N . 19174 1 17 . 1 1 6 6 GLN H H 1 8.289 0.020 . 1 . . . A 6 GLN H . 19174 1 18 . 1 1 6 6 GLN CA C 13 55.739 0.3 . 1 . . . A 6 GLN CA . 19174 1 19 . 1 1 6 6 GLN CB C 13 29.409 0.3 . 1 . . . A 6 GLN CB . 19174 1 20 . 1 1 6 6 GLN N N 15 121.556 0.3 . 1 . . . A 6 GLN N . 19174 1 21 . 1 1 7 7 ALA H H 1 8.311 0.020 . 1 . . . A 7 ALA H . 19174 1 22 . 1 1 7 7 ALA CA C 13 52.404 0.3 . 1 . . . A 7 ALA CA . 19174 1 23 . 1 1 7 7 ALA CB C 13 18.978 0.3 . 1 . . . A 7 ALA CB . 19174 1 24 . 1 1 7 7 ALA N N 15 126.411 0.3 . 1 . . . A 7 ALA N . 19174 1 25 . 1 1 8 8 VAL H H 1 8.018 0.020 . 1 . . . A 8 VAL H . 19174 1 26 . 1 1 8 8 VAL CA C 13 62.491 0.3 . 1 . . . A 8 VAL CA . 19174 1 27 . 1 1 8 8 VAL CB C 13 32.586 0.3 . 1 . . . A 8 VAL CB . 19174 1 28 . 1 1 8 8 VAL N N 15 119.771 0.3 . 1 . . . A 8 VAL N . 19174 1 29 . 1 1 9 9 GLY H H 1 8.243 0.020 . 1 . . . A 9 GLY H . 19174 1 30 . 1 1 9 9 GLY CA C 13 45.044 0.3 . 1 . . . A 9 GLY CA . 19174 1 31 . 1 1 9 9 GLY N N 15 112.108 0.3 . 1 . . . A 9 GLY N . 19174 1 32 . 1 1 10 10 PHE H H 1 7.983 0.020 . 1 . . . A 10 PHE H . 19174 1 33 . 1 1 10 10 PHE CA C 13 57.725 0.3 . 1 . . . A 10 PHE CA . 19174 1 34 . 1 1 10 10 PHE CB C 13 39.628 0.3 . 1 . . . A 10 PHE CB . 19174 1 35 . 1 1 10 10 PHE N N 15 120.842 0.3 . 1 . . . A 10 PHE N . 19174 1 36 . 1 1 11 11 ARG H H 1 8.016 0.020 . 1 . . . A 11 ARG H . 19174 1 37 . 1 1 11 11 ARG CA C 13 53.410 0.3 . 1 . . . A 11 ARG CA . 19174 1 38 . 1 1 11 11 ARG CB C 13 30.574 0.3 . 1 . . . A 11 ARG CB . 19174 1 39 . 1 1 11 11 ARG N N 15 125.277 0.3 . 1 . . . A 11 ARG N . 19174 1 40 . 1 1 13 13 SER H H 1 8.197 0.020 . 1 . . . A 13 SER H . 19174 1 41 . 1 1 13 13 SER CA C 13 58.043 0.3 . 1 . . . A 13 SER CA . 19174 1 42 . 1 1 13 13 SER CB C 13 63.774 0.3 . 1 . . . A 13 SER CB . 19174 1 43 . 1 1 13 13 SER N N 15 115.938 0.3 . 1 . . . A 13 SER N . 19174 1 44 . 1 1 14 14 LEU H H 1 8.256 0.020 . 1 . . . A 14 LEU H . 19174 1 45 . 1 1 14 14 LEU CA C 13 55.422 0.3 . 1 . . . A 14 LEU CA . 19174 1 46 . 1 1 14 14 LEU CB C 13 42.329 0.3 . 1 . . . A 14 LEU CB . 19174 1 47 . 1 1 14 14 LEU N N 15 124.186 0.3 . 1 . . . A 14 LEU N . 19174 1 48 . 1 1 15 15 THR H H 1 7.913 0.020 . 1 . . . A 15 THR H . 19174 1 49 . 1 1 15 15 THR CA C 13 61.379 0.3 . 1 . . . A 15 THR CA . 19174 1 50 . 1 1 15 15 THR CB C 13 69.810 0.3 . 1 . . . A 15 THR CB . 19174 1 51 . 1 1 15 15 THR N N 15 112.858 0.3 . 1 . . . A 15 THR N . 19174 1 52 . 1 1 16 16 SER H H 1 8.154 0.020 . 1 . . . A 16 SER H . 19174 1 53 . 1 1 16 16 SER CA C 13 58.678 0.3 . 1 . . . A 16 SER CA . 19174 1 54 . 1 1 16 16 SER CB C 13 63.668 0.3 . 1 . . . A 16 SER CB . 19174 1 55 . 1 1 16 16 SER N N 15 117.578 0.3 . 1 . . . A 16 SER N . 19174 1 56 . 1 1 17 17 ASP H H 1 8.263 0.020 . 1 . . . A 17 ASP H . 19174 1 57 . 1 1 17 17 ASP CA C 13 54.680 0.3 . 1 . . . A 17 ASP CA . 19174 1 58 . 1 1 17 17 ASP CB C 13 40.899 0.3 . 1 . . . A 17 ASP CB . 19174 1 59 . 1 1 17 17 ASP N N 15 122.030 0.3 . 1 . . . A 17 ASP N . 19174 1 60 . 1 1 18 18 GLY H H 1 8.239 0.020 . 1 . . . A 18 GLY H . 19174 1 61 . 1 1 18 18 GLY CA C 13 45.758 0.3 . 1 . . . A 18 GLY CA . 19174 1 62 . 1 1 18 18 GLY N N 15 108.815 0.3 . 1 . . . A 18 GLY N . 19174 1 63 . 1 1 19 19 ALA H H 1 8.001 0.020 . 1 . . . A 19 ALA H . 19174 1 64 . 1 1 19 19 ALA CA C 13 53.164 0.3 . 1 . . . A 19 ALA CA . 19174 1 65 . 1 1 19 19 ALA CB C 13 19.084 0.3 . 1 . . . A 19 ALA CB . 19174 1 66 . 1 1 19 19 ALA N N 15 123.128 0.3 . 1 . . . A 19 ALA N . 19174 1 67 . 1 1 20 20 GLU H H 1 8.231 0.020 . 1 . . . A 20 GLU H . 19174 1 68 . 1 1 20 20 GLU CA C 13 57.275 0.3 . 1 . . . A 20 GLU CA . 19174 1 69 . 1 1 20 20 GLU CB C 13 29.250 0.3 . 1 . . . A 20 GLU CB . 19174 1 70 . 1 1 20 20 GLU N N 15 117.663 0.3 . 1 . . . A 20 GLU N . 19174 1 71 . 1 1 21 21 VAL H H 1 7.767 0.020 . 1 . . . A 21 VAL H . 19174 1 72 . 1 1 21 21 VAL CA C 13 62.755 0.3 . 1 . . . A 21 VAL CA . 19174 1 73 . 1 1 21 21 VAL CB C 13 32.268 0.3 . 1 . . . A 21 VAL CB . 19174 1 74 . 1 1 21 21 VAL N N 15 119.044 0.3 . 1 . . . A 21 VAL N . 19174 1 75 . 1 1 22 22 GLU H H 1 7.969 0.020 . 1 . . . A 22 GLU H . 19174 1 76 . 1 1 22 22 GLU CA C 13 56.613 0.3 . 1 . . . A 22 GLU CA . 19174 1 77 . 1 1 22 22 GLU CB C 13 29.833 0.3 . 1 . . . A 22 GLU CB . 19174 1 78 . 1 1 22 22 GLU N N 15 121.765 0.3 . 1 . . . A 22 GLU N . 19174 1 79 . 1 1 23 23 LEU H H 1 7.917 0.020 . 1 . . . A 23 LEU H . 19174 1 80 . 1 1 23 23 LEU CA C 13 54.310 0.3 . 1 . . . A 23 LEU CA . 19174 1 81 . 1 1 23 23 LEU CB C 13 42.223 0.3 . 1 . . . A 23 LEU CB . 19174 1 82 . 1 1 23 23 LEU N N 15 120.996 0.3 . 1 . . . A 23 LEU N . 19174 1 83 . 1 1 24 24 SER H H 1 7.564 0.020 . 1 . . . A 24 SER H . 19174 1 84 . 1 1 24 24 SER CA C 13 57.593 0.3 . 1 . . . A 24 SER CA . 19174 1 85 . 1 1 24 24 SER CB C 13 64.515 0.3 . 1 . . . A 24 SER CB . 19174 1 86 . 1 1 24 24 SER N N 15 114.702 0.3 . 1 . . . A 24 SER N . 19174 1 87 . 1 1 25 25 ALA H H 1 8.630 0.020 . 1 . . . A 25 ALA H . 19174 1 88 . 1 1 25 25 ALA CA C 13 55.898 0.3 . 1 . . . A 25 ALA CA . 19174 1 89 . 1 1 25 25 ALA CB C 13 16.330 0.3 . 1 . . . A 25 ALA CB . 19174 1 90 . 1 1 25 25 ALA N N 15 125.059 0.3 . 1 . . . A 25 ALA N . 19174 1 91 . 1 1 27 27 VAL H H 1 7.294 0.020 . 1 . . . A 27 VAL H . 19174 1 92 . 1 1 27 27 VAL CA C 13 65.826 0.3 . 1 . . . A 27 VAL CA . 19174 1 93 . 1 1 27 27 VAL CB C 13 31.686 0.3 . 1 . . . A 27 VAL CB . 19174 1 94 . 1 1 27 27 VAL N N 15 118.016 0.3 . 1 . . . A 27 VAL N . 19174 1 95 . 1 1 28 28 LEU H H 1 7.939 0.020 . 1 . . . A 28 LEU H . 19174 1 96 . 1 1 28 28 LEU CA C 13 57.990 0.3 . 1 . . . A 28 LEU CA . 19174 1 97 . 1 1 28 28 LEU CB C 13 41.429 0.3 . 1 . . . A 28 LEU CB . 19174 1 98 . 1 1 28 28 LEU N N 15 119.933 0.3 . 1 . . . A 28 LEU N . 19174 1 99 . 1 1 29 29 GLN H H 1 8.179 0.020 . 1 . . . A 29 GLN H . 19174 1 100 . 1 1 29 29 GLN CA C 13 59.367 0.3 . 1 . . . A 29 GLN CA . 19174 1 101 . 1 1 29 29 GLN CB C 13 28.297 0.3 . 1 . . . A 29 GLN CB . 19174 1 102 . 1 1 29 29 GLN N N 15 117.644 0.3 . 1 . . . A 29 GLN N . 19174 1 103 . 1 1 30 30 GLU H H 1 7.752 0.020 . 1 . . . A 30 GLU H . 19174 1 104 . 1 1 30 30 GLU CA C 13 59.128 0.3 . 1 . . . A 30 GLU CA . 19174 1 105 . 1 1 30 30 GLU CB C 13 29.038 0.3 . 1 . . . A 30 GLU CB . 19174 1 106 . 1 1 30 30 GLU N N 15 118.389 0.3 . 1 . . . A 30 GLU N . 19174 1 107 . 1 1 31 31 ILE H H 1 8.131 0.020 . 1 . . . A 31 ILE H . 19174 1 108 . 1 1 31 31 ILE CA C 13 65.509 0.3 . 1 . . . A 31 ILE CA . 19174 1 109 . 1 1 31 31 ILE CB C 13 37.775 0.3 . 1 . . . A 31 ILE CB . 19174 1 110 . 1 1 31 31 ILE N N 15 120.796 0.3 . 1 . . . A 31 ILE N . 19174 1 111 . 1 1 32 32 TYR H H 1 8.214 0.020 . 1 . . . A 32 TYR H . 19174 1 112 . 1 1 32 32 TYR CA C 13 61.405 0.3 . 1 . . . A 32 TYR CA . 19174 1 113 . 1 1 32 32 TYR CB C 13 38.358 0.3 . 1 . . . A 32 TYR CB . 19174 1 114 . 1 1 32 32 TYR N N 15 120.550 0.3 . 1 . . . A 32 TYR N . 19174 1 115 . 1 1 33 33 LEU H H 1 8.347 0.020 . 1 . . . A 33 LEU H . 19174 1 116 . 1 1 33 33 LEU CA C 13 57.513 0.3 . 1 . . . A 33 LEU CA . 19174 1 117 . 1 1 33 33 LEU CB C 13 41.657 0.3 . 1 . . . A 33 LEU CB . 19174 1 118 . 1 1 33 33 LEU N N 15 117.578 0.3 . 1 . . . A 33 LEU N . 19174 1 119 . 1 1 34 34 SER H H 1 7.986 0.020 . 1 . . . A 34 SER H . 19174 1 120 . 1 1 34 34 SER CA C 13 61.405 0.3 . 1 . . . A 34 SER CA . 19174 1 121 . 1 1 34 34 SER CB C 13 63.403 0.3 . 1 . . . A 34 SER CB . 19174 1 122 . 1 1 34 34 SER N N 15 114.635 0.3 . 1 . . . A 34 SER N . 19174 1 123 . 1 1 35 35 GLY H H 1 8.302 0.020 . 1 . . . A 35 GLY H . 19174 1 124 . 1 1 35 35 GLY CA C 13 46.897 0.3 . 1 . . . A 35 GLY CA . 19174 1 125 . 1 1 35 35 GLY N N 15 110.749 0.3 . 1 . . . A 35 GLY N . 19174 1 126 . 1 1 36 36 LEU H H 1 8.194 0.020 . 1 . . . A 36 LEU H . 19174 1 127 . 1 1 36 36 LEU CA C 13 57.619 0.3 . 1 . . . A 36 LEU CA . 19174 1 128 . 1 1 36 36 LEU CB C 13 41.799 0.3 . 1 . . . A 36 LEU CB . 19174 1 129 . 1 1 36 36 LEU N N 15 121.632 0.3 . 1 . . . A 36 LEU N . 19174 1 130 . 1 1 37 37 ARG H H 1 7.934 0.020 . 1 . . . A 37 ARG H . 19174 1 131 . 1 1 37 37 ARG CA C 13 59.049 0.3 . 1 . . . A 37 ARG CA . 19174 1 132 . 1 1 37 37 ARG CB C 13 30.044 0.3 . 1 . . . A 37 ARG CB . 19174 1 133 . 1 1 37 37 ARG N N 15 118.274 0.3 . 1 . . . A 37 ARG N . 19174 1 134 . 1 1 38 38 SER H H 1 7.913 0.020 . 1 . . . A 38 SER H . 19174 1 135 . 1 1 38 38 SER CA C 13 60.531 0.3 . 1 . . . A 38 SER CA . 19174 1 136 . 1 1 38 38 SER CB C 13 63.509 0.3 . 1 . . . A 38 SER CB . 19174 1 137 . 1 1 38 38 SER N N 15 114.239 0.3 . 1 . . . A 38 SER N . 19174 1 138 . 1 1 39 39 TRP H H 1 8.108 0.020 . 1 . . . A 39 TRP H . 19174 1 139 . 1 1 39 39 TRP CA C 13 59.870 0.3 . 1 . . . A 39 TRP CA . 19174 1 140 . 1 1 39 39 TRP CB C 13 28.721 0.3 . 1 . . . A 39 TRP CB . 19174 1 141 . 1 1 39 39 TRP N N 15 123.095 0.3 . 1 . . . A 39 TRP N . 19174 1 142 . 1 1 40 40 LYS H H 1 7.938 0.020 . 1 . . . A 40 LYS H . 19174 1 143 . 1 1 40 40 LYS CA C 13 59.525 0.3 . 1 . . . A 40 LYS CA . 19174 1 144 . 1 1 40 40 LYS CB C 13 32.109 0.3 . 1 . . . A 40 LYS CB . 19174 1 145 . 1 1 40 40 LYS N N 15 119.629 0.3 . 1 . . . A 40 LYS N . 19174 1 146 . 1 1 41 41 ARG H H 1 7.863 0.020 . 1 . . . A 41 ARG H . 19174 1 147 . 1 1 41 41 ARG CA C 13 57.857 0.3 . 1 . . . A 41 ARG CA . 19174 1 148 . 1 1 41 41 ARG CB C 13 30.203 0.3 . 1 . . . A 41 ARG CB . 19174 1 149 . 1 1 41 41 ARG N N 15 117.834 0.3 . 1 . . . A 41 ARG N . 19174 1 150 . 1 1 42 42 HIS H H 1 7.919 0.020 . 1 . . . A 42 HIS H . 19174 1 151 . 1 1 42 42 HIS CA C 13 57.487 0.3 . 1 . . . A 42 HIS CA . 19174 1 152 . 1 1 42 42 HIS CB C 13 30.786 0.3 . 1 . . . A 42 HIS CB . 19174 1 153 . 1 1 42 42 HIS N N 15 115.774 0.3 . 1 . . . A 42 HIS N . 19174 1 154 . 1 1 43 43 LEU H H 1 8.162 0.020 . 1 . . . A 43 LEU H . 19174 1 155 . 1 1 43 43 LEU CA C 13 56.745 0.3 . 1 . . . A 43 LEU CA . 19174 1 156 . 1 1 43 43 LEU CB C 13 42.276 0.3 . 1 . . . A 43 LEU CB . 19174 1 157 . 1 1 43 43 LEU N N 15 120.243 0.3 . 1 . . . A 43 LEU N . 19174 1 158 . 1 1 44 44 SER H H 1 8.033 0.020 . 1 . . . A 44 SER H . 19174 1 159 . 1 1 44 44 SER CA C 13 60.987 0.3 . 1 . . . A 44 SER CA . 19174 1 160 . 1 1 44 44 SER CB C 13 62.768 0.3 . 1 . . . A 44 SER CB . 19174 1 161 . 1 1 44 44 SER N N 15 114.616 0.3 . 1 . . . A 44 SER N . 19174 1 162 . 1 1 45 45 ARG H H 1 7.763 0.020 . 1 . . . A 45 ARG H . 19174 1 163 . 1 1 45 45 ARG CA C 13 57.513 0.3 . 1 . . . A 45 ARG CA . 19174 1 164 . 1 1 45 45 ARG CB C 13 29.462 0.3 . 1 . . . A 45 ARG CB . 19174 1 165 . 1 1 45 45 ARG N N 15 120.757 0.3 . 1 . . . A 45 ARG N . 19174 1 166 . 1 1 46 46 PHE H H 1 7.673 0.020 . 1 . . . A 46 PHE H . 19174 1 167 . 1 1 46 46 PHE CA C 13 59.155 0.3 . 1 . . . A 46 PHE CA . 19174 1 168 . 1 1 46 46 PHE CB C 13 39.311 0.3 . 1 . . . A 46 PHE CB . 19174 1 169 . 1 1 46 46 PHE N N 15 118.237 0.3 . 1 . . . A 46 PHE N . 19174 1 170 . 1 1 47 47 TRP H H 1 7.614 0.020 . 1 . . . A 47 TRP H . 19174 1 171 . 1 1 47 47 TRP CA C 13 58.837 0.3 . 1 . . . A 47 TRP CA . 19174 1 172 . 1 1 47 47 TRP CB C 13 29.833 0.3 . 1 . . . A 47 TRP CB . 19174 1 173 . 1 1 47 47 TRP N N 15 118.484 0.3 . 1 . . . A 47 TRP N . 19174 1 174 . 1 1 48 48 ASN H H 1 7.811 0.020 . 1 . . . A 48 ASN H . 19174 1 175 . 1 1 48 48 ASN CA C 13 54.124 0.3 . 1 . . . A 48 ASN CA . 19174 1 176 . 1 1 48 48 ASN CB C 13 38.887 0.3 . 1 . . . A 48 ASN CB . 19174 1 177 . 1 1 48 48 ASN N N 15 114.629 0.3 . 1 . . . A 48 ASN N . 19174 1 178 . 1 1 49 49 ASP H H 1 7.775 0.020 . 1 . . . A 49 ASP H . 19174 1 179 . 1 1 49 49 ASP CA C 13 54.310 0.3 . 1 . . . A 49 ASP CA . 19174 1 180 . 1 1 49 49 ASP CB C 13 40.793 0.3 . 1 . . . A 49 ASP CB . 19174 1 181 . 1 1 49 49 ASP N N 15 118.029 0.3 . 1 . . . A 49 ASP N . 19174 1 182 . 1 1 50 50 PHE H H 1 7.327 0.020 . 1 . . . A 50 PHE H . 19174 1 183 . 1 1 50 50 PHE CA C 13 59.367 0.3 . 1 . . . A 50 PHE CA . 19174 1 184 . 1 1 50 50 PHE CB C 13 40.582 0.3 . 1 . . . A 50 PHE CB . 19174 1 185 . 1 1 50 50 PHE N N 15 121.906 0.3 . 1 . . . A 50 PHE N . 19174 1 stop_ save_