data_1553 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1553 _Entry.Title ; Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lewis Kay . E. . 1553 2 Julie Forman-Kay . D. . 1553 3 William McCubbin . D. . 1553 4 Cyril Kay . M. . 1553 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1553 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 253 1553 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 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1553 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1553 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1553 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1553 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1553 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1553 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kay, Lewis E., Forman-Kay, Julie D., McCubbin, William D., Kay, Cyril M., "Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy," Biochemistry 30, 4323-4333 (1991). ; _Citation.Title ; Solution Structure of a Polypeptide Dimer Comprising the Fourth Ca+2-Binding Site of Troponin C by Nuclear Magnetic Resonance Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4323 _Citation.Page_last 4333 _Citation.Year 1991 _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 Lewis Kay . E. . 1553 1 2 Julie Forman-Kay . D. . 1553 1 3 William McCubbin . D. . 1553 1 4 Cyril Kay . M. . 1553 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_troponin_C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_troponin_C _Assembly.Entry_ID 1553 _Assembly.ID 1 _Assembly.Name 'troponin C' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'troponin C' 1 $troponin_C . . . . . . . . . 1553 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'troponin C' system 1553 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_troponin_C _Entity.Sf_category entity _Entity.Sf_framecode troponin_C _Entity.Entry_ID 1553 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'troponin C' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; ASGEHVTDEEIESLMKDGDK NNDGRIDFDEFLKMMEGVQ ; _Entity.Polymer_seq_one_letter_code ; ASGEHVTDEEIESLMKDGDK NNDGRIDFDEFLKMMEGVQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1A2X . "Complex Of Troponin C With A 47 Residue (1-47) Fragment Of Troponin I" . . . . . 100.00 159 100.00 100.00 4.88e-17 . . . . 1553 1 2 no PDB 1TCF . "Crystal Structure Of Calcium-Saturated Rabbit Skeletal Troponin C" . . . . . 100.00 159 100.00 100.00 4.68e-17 . . . . 1553 1 3 no PDB 1TN4 . "Four Calcium Tnc" . . . . . 100.00 159 100.00 100.00 4.68e-17 . . . . 1553 1 4 no PDB 2TN4 . "Four Calcium Tnc" . . . . . 100.00 159 100.00 100.00 4.68e-17 . . . . 1553 1 5 no DBJ BAE21718 . "unnamed protein product [Mus musculus]" . . . . . 100.00 160 97.44 100.00 2.39e-16 . . . . 1553 1 6 no DBJ BAF84012 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 7 no EMBL CAA30737 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 8 no EMBL CAA68729 . "unnamed protein product [Oryctolagus cuniculus]" . . . . . 100.00 160 100.00 100.00 5.23e-17 . . . . 1553 1 9 no EMBL CAG46662 . "TNNC2 [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 10 no EMBL CAG46682 . "TNNC2 [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 11 no GB AAA31481 . "troponin C [Oryctolagus cuniculus]" . . . . . 100.00 160 100.00 100.00 5.23e-17 . . . . 1553 1 12 no GB AAA37642 . "fast skeletal muscle troponin C [Mus musculus domesticus]" . . . . . 100.00 160 97.44 100.00 2.08e-16 . . . . 1553 1 13 no GB AAA61197 . "fast skeletal muscle troponin C [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 14 no GB AAA91854 . "troponin C [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 6.06e-17 . . . . 1553 1 15 no GB AAH05323 . "Troponin C type 2 (fast) [Homo sapiens]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 16 no PRF 0408496A . "troponin C" . . . . . 100.00 159 100.00 100.00 4.88e-17 . . . . 1553 1 17 no PRF 731112A . "troponin C" . . . . . 100.00 158 97.44 100.00 2.88e-16 . . . . 1553 1 18 no REF NP_001032428 . "troponin C, skeletal muscle [Rattus norvegicus]" . . . . . 100.00 160 100.00 100.00 5.23e-17 . . . . 1553 1 19 no REF NP_001069841 . "troponin C, skeletal muscle [Bos taurus]" . . . . . 100.00 161 97.44 100.00 1.23e-16 . . . . 1553 1 20 no REF NP_001076114 . "troponin C, skeletal muscle [Oryctolagus cuniculus]" . . . . . 100.00 160 100.00 100.00 5.23e-17 . . . . 1553 1 21 no REF NP_001106292 . "troponin C type 2 (fast) [Ovis aries]" . . . . . 100.00 160 97.44 100.00 1.21e-16 . . . . 1553 1 22 no REF NP_001253479 . "troponin C, skeletal muscle [Macaca mulatta]" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 23 no SP P02585 . "RecName: Full=Troponin C, skeletal muscle" . . . . . 100.00 160 100.00 100.00 5.57e-17 . . . . 1553 1 24 no SP P02586 . "RecName: Full=Troponin C, skeletal muscle" . . . . . 100.00 160 100.00 100.00 5.23e-17 . . . . 1553 1 25 no SP P02587 . "RecName: Full=Troponin C, skeletal muscle" . . . . . 100.00 159 97.44 100.00 1.24e-16 . . . . 1553 1 26 no SP P20801 . "RecName: Full=Troponin C, skeletal muscle; AltName: Full=STNC" . . . . . 100.00 160 97.44 100.00 2.08e-16 . . . . 1553 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'residues 121-159, fourth Ca2+ binding site TH2' variant 1553 1 'troponin C' common 1553 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ALA . 1553 1 2 1 SER . 1553 1 3 2 GLY . 1553 1 4 3 GLU . 1553 1 5 4 HIS . 1553 1 6 5 VAL . 1553 1 7 6 THR . 1553 1 8 7 ASP . 1553 1 9 8 GLU . 1553 1 10 9 GLU . 1553 1 11 10 ILE . 1553 1 12 11 GLU . 1553 1 13 12 SER . 1553 1 14 13 LEU . 1553 1 15 14 MET . 1553 1 16 15 LYS . 1553 1 17 16 ASP . 1553 1 18 17 GLY . 1553 1 19 18 ASP . 1553 1 20 19 LYS . 1553 1 21 20 ASN . 1553 1 22 21 ASN . 1553 1 23 22 ASP . 1553 1 24 23 GLY . 1553 1 25 24 ARG . 1553 1 26 25 ILE . 1553 1 27 26 ASP . 1553 1 28 27 PHE . 1553 1 29 28 ASP . 1553 1 30 29 GLU . 1553 1 31 30 PHE . 1553 1 32 31 LEU . 1553 1 33 32 LYS . 1553 1 34 33 MET . 1553 1 35 34 MET . 1553 1 36 35 GLU . 1553 1 37 36 GLY . 1553 1 38 37 VAL . 1553 1 39 38 GLN . 1553 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 . ALA 1 1 1553 1 . SER 2 2 1553 1 . GLY 3 3 1553 1 . GLU 4 4 1553 1 . HIS 5 5 1553 1 . VAL 6 6 1553 1 . THR 7 7 1553 1 . ASP 8 8 1553 1 . GLU 9 9 1553 1 . GLU 10 10 1553 1 . ILE 11 11 1553 1 . GLU 12 12 1553 1 . SER 13 13 1553 1 . LEU 14 14 1553 1 . MET 15 15 1553 1 . LYS 16 16 1553 1 . ASP 17 17 1553 1 . GLY 18 18 1553 1 . ASP 19 19 1553 1 . LYS 20 20 1553 1 . ASN 21 21 1553 1 . ASN 22 22 1553 1 . ASP 23 23 1553 1 . GLY 24 24 1553 1 . ARG 25 25 1553 1 . ILE 26 26 1553 1 . ASP 27 27 1553 1 . PHE 28 28 1553 1 . ASP 29 29 1553 1 . GLU 30 30 1553 1 . PHE 31 31 1553 1 . LEU 32 32 1553 1 . LYS 33 33 1553 1 . MET 34 34 1553 1 . MET 35 35 1553 1 . GLU 36 36 1553 1 . GLY 37 37 1553 1 . VAL 38 38 1553 1 . GLN 39 39 1553 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 1553 _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 $troponin_C . 9986 organism . 'Oryctolagus cuniculus' 'domestic rabbit' . . Eukaryota Metazoa Oryctolagus cuniculus generic . . . 'skeletal muscle' . . . . . . . . . . . . . . . . 1553 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 1553 _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 $troponin_C . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1553 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1553 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'troponin C' . . . . . . . . . . . . . . . 1553 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1553 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . na 1553 1 temperature 309 . K 1553 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1553 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1553 _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 unknown unknown . 0 'spectrometer information not available' . . 1553 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 1553 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1553 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1553 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1553 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1553 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 1553 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY H H 1 8.5 . . 1 . . . . 2 GLY H . 1553 1 2 . 1 1 3 3 GLY HA2 H 1 3.99 . . 1 . . . . 2 GLY HA2 . 1553 1 3 . 1 1 3 3 GLY HA3 H 1 3.99 . . 1 . . . . 2 GLY HA3 . 1553 1 4 . 1 1 4 4 GLU H H 1 8.15 . . 1 . . . . 3 GLU H . 1553 1 5 . 1 1 4 4 GLU HA H 1 4.26 . . 1 . . . . 3 GLU HA . 1553 1 6 . 1 1 4 4 GLU HB2 H 1 1.87 . . 2 . . . . 3 GLU HB2 . 1553 1 7 . 1 1 4 4 GLU HB3 H 1 1.94 . . 2 . . . . 3 GLU HB3 . 1553 1 8 . 1 1 4 4 GLU HG2 H 1 2.17 . . 1 . . . . 3 GLU HG2 . 1553 1 9 . 1 1 4 4 GLU HG3 H 1 2.17 . . 1 . . . . 3 GLU HG3 . 1553 1 10 . 1 1 5 5 HIS H H 1 8.44 . . 1 . . . . 4 HIS H . 1553 1 11 . 1 1 5 5 HIS HA H 1 4.78 . . 1 . . . . 4 HIS HA . 1553 1 12 . 1 1 5 5 HIS HB2 H 1 3.25 . . 2 . . . . 4 HIS HB2 . 1553 1 13 . 1 1 5 5 HIS HB3 H 1 3.13 . . 2 . . . . 4 HIS HB3 . 1553 1 14 . 1 1 5 5 HIS HD2 H 1 7.25 . . 1 . . . . 4 HIS HD2 . 1553 1 15 . 1 1 5 5 HIS HE1 H 1 8.46 . . 1 . . . . 4 HIS HE1 . 1553 1 16 . 1 1 6 6 VAL H H 1 8.23 . . 1 . . . . 5 VAL H . 1553 1 17 . 1 1 6 6 VAL HA H 1 4.26 . . 1 . . . . 5 VAL HA . 1553 1 18 . 1 1 6 6 VAL HB H 1 2.06 . . 1 . . . . 5 VAL HB . 1553 1 19 . 1 1 6 6 VAL HG11 H 1 .92 . . 1 . . . . 5 VAL HG11 . 1553 1 20 . 1 1 6 6 VAL HG12 H 1 .92 . . 1 . . . . 5 VAL HG12 . 1553 1 21 . 1 1 6 6 VAL HG13 H 1 .92 . . 1 . . . . 5 VAL HG13 . 1553 1 22 . 1 1 6 6 VAL HG21 H 1 .92 . . 1 . . . . 5 VAL HG21 . 1553 1 23 . 1 1 6 6 VAL HG22 H 1 .92 . . 1 . . . . 5 VAL HG22 . 1553 1 24 . 1 1 6 6 VAL HG23 H 1 .92 . . 1 . . . . 5 VAL HG23 . 1553 1 25 . 1 1 7 7 THR H H 1 8.31 . . 1 . . . . 6 THR H . 1553 1 26 . 1 1 7 7 THR HA H 1 4.47 . . 1 . . . . 6 THR HA . 1553 1 27 . 1 1 7 7 THR HB H 1 4.47 . . 1 . . . . 6 THR HB . 1553 1 28 . 1 1 7 7 THR HG21 H 1 1.25 . . 1 . . . . 6 THR HG21 . 1553 1 29 . 1 1 7 7 THR HG22 H 1 1.25 . . 1 . . . . 6 THR HG22 . 1553 1 30 . 1 1 7 7 THR HG23 H 1 1.25 . . 1 . . . . 6 THR HG23 . 1553 1 31 . 1 1 8 8 ASP H H 1 8.53 . . 1 . . . . 7 ASP H . 1553 1 32 . 1 1 8 8 ASP HA H 1 4.48 . . 1 . . . . 7 ASP HA . 1553 1 33 . 1 1 8 8 ASP HB2 H 1 2.67 . . 2 . . . . 7 ASP HB2 . 1553 1 34 . 1 1 8 8 ASP HB3 H 1 2.74 . . 2 . . . . 7 ASP HB3 . 1553 1 35 . 1 1 9 9 GLU H H 1 8.5 . . 1 . . . . 8 GLU H . 1553 1 36 . 1 1 9 9 GLU HA H 1 4.14 . . 1 . . . . 8 GLU HA . 1553 1 37 . 1 1 9 9 GLU HB2 H 1 2.02 . . 1 . . . . 8 GLU HB2 . 1553 1 38 . 1 1 9 9 GLU HB3 H 1 2.02 . . 1 . . . . 8 GLU HB3 . 1553 1 39 . 1 1 9 9 GLU HG2 H 1 2.33 . . 1 . . . . 8 GLU HG2 . 1553 1 40 . 1 1 9 9 GLU HG3 H 1 2.33 . . 1 . . . . 8 GLU HG3 . 1553 1 41 . 1 1 10 10 GLU H H 1 8.11 . . 1 . . . . 9 GLU H . 1553 1 42 . 1 1 10 10 GLU HA H 1 4.15 . . 1 . . . . 9 GLU HA . 1553 1 43 . 1 1 10 10 GLU HB2 H 1 2.02 . . 1 . . . . 9 GLU HB2 . 1553 1 44 . 1 1 10 10 GLU HB3 H 1 2.02 . . 1 . . . . 9 GLU HB3 . 1553 1 45 . 1 1 10 10 GLU HG2 H 1 2.23 . . 2 . . . . 9 GLU HG2 . 1553 1 46 . 1 1 10 10 GLU HG3 H 1 2.32 . . 2 . . . . 9 GLU HG3 . 1553 1 47 . 1 1 11 11 ILE H H 1 8 . . 1 . . . . 10 ILE H . 1553 1 48 . 1 1 11 11 ILE HA H 1 3.82 . . 1 . . . . 10 ILE HA . 1553 1 49 . 1 1 11 11 ILE HB H 1 2 . . 1 . . . . 10 ILE HB . 1553 1 50 . 1 1 11 11 ILE HG12 H 1 1.2 . . 2 . . . . 10 ILE HG12 . 1553 1 51 . 1 1 11 11 ILE HG13 H 1 1.57 . . 2 . . . . 10 ILE HG13 . 1553 1 52 . 1 1 11 11 ILE HG21 H 1 .91 . . 1 . . . . 10 ILE HG21 . 1553 1 53 . 1 1 11 11 ILE HG22 H 1 .91 . . 1 . . . . 10 ILE HG22 . 1553 1 54 . 1 1 11 11 ILE HG23 H 1 .91 . . 1 . . . . 10 ILE HG23 . 1553 1 55 . 1 1 11 11 ILE HD11 H 1 .79 . . 1 . . . . 10 ILE HD11 . 1553 1 56 . 1 1 11 11 ILE HD12 H 1 .79 . . 1 . . . . 10 ILE HD12 . 1553 1 57 . 1 1 11 11 ILE HD13 H 1 .79 . . 1 . . . . 10 ILE HD13 . 1553 1 58 . 1 1 12 12 GLU H H 1 8.29 . . 1 . . . . 11 GLU H . 1553 1 59 . 1 1 12 12 GLU HA H 1 4 . . 1 . . . . 11 GLU HA . 1553 1 60 . 1 1 12 12 GLU HB2 H 1 2.09 . . 1 . . . . 11 GLU HB2 . 1553 1 61 . 1 1 12 12 GLU HB3 H 1 2.09 . . 1 . . . . 11 GLU HB3 . 1553 1 62 . 1 1 12 12 GLU HG2 H 1 2.23 . . 2 . . . . 11 GLU HG2 . 1553 1 63 . 1 1 12 12 GLU HG3 H 1 2.35 . . 2 . . . . 11 GLU HG3 . 1553 1 64 . 1 1 13 13 SER H H 1 7.93 . . 1 . . . . 12 SER H . 1553 1 65 . 1 1 13 13 SER HA H 1 4.23 . . 1 . . . . 12 SER HA . 1553 1 66 . 1 1 13 13 SER HB2 H 1 3.95 . . 2 . . . . 12 SER HB2 . 1553 1 67 . 1 1 13 13 SER HB3 H 1 4 . . 2 . . . . 12 SER HB3 . 1553 1 68 . 1 1 14 14 LEU H H 1 7.91 . . 1 . . . . 13 LEU H . 1553 1 69 . 1 1 14 14 LEU HA H 1 4.16 . . 1 . . . . 13 LEU HA . 1553 1 70 . 1 1 14 14 LEU HB2 H 1 1.66 . . 1 . . . . 13 LEU HB2 . 1553 1 71 . 1 1 14 14 LEU HB3 H 1 1.87 . . 1 . . . . 13 LEU HB3 . 1553 1 72 . 1 1 14 14 LEU HG H 1 1.78 . . 1 . . . . 13 LEU HG . 1553 1 73 . 1 1 14 14 LEU HD11 H 1 .9 . . 1 . . . . 13 LEU HD11 . 1553 1 74 . 1 1 14 14 LEU HD12 H 1 .9 . . 1 . . . . 13 LEU HD12 . 1553 1 75 . 1 1 14 14 LEU HD13 H 1 .9 . . 1 . . . . 13 LEU HD13 . 1553 1 76 . 1 1 14 14 LEU HD21 H 1 .9 . . 1 . . . . 13 LEU HD21 . 1553 1 77 . 1 1 14 14 LEU HD22 H 1 .9 . . 1 . . . . 13 LEU HD22 . 1553 1 78 . 1 1 14 14 LEU HD23 H 1 .9 . . 1 . . . . 13 LEU HD23 . 1553 1 79 . 1 1 15 15 MET H H 1 8.12 . . 1 . . . . 14 MET H . 1553 1 80 . 1 1 15 15 MET HA H 1 4.1 . . 1 . . . . 14 MET HA . 1553 1 81 . 1 1 15 15 MET HB2 H 1 2.08 . . 1 . . . . 14 MET HB2 . 1553 1 82 . 1 1 15 15 MET HB3 H 1 2.08 . . 1 . . . . 14 MET HB3 . 1553 1 83 . 1 1 15 15 MET HG2 H 1 2.46 . . 2 . . . . 14 MET HG2 . 1553 1 84 . 1 1 15 15 MET HG3 H 1 2.6 . . 2 . . . . 14 MET HG3 . 1553 1 85 . 1 1 15 15 MET HE1 H 1 1.99 . . 1 . . . . 14 MET HE1 . 1553 1 86 . 1 1 15 15 MET HE2 H 1 1.99 . . 1 . . . . 14 MET HE2 . 1553 1 87 . 1 1 15 15 MET HE3 H 1 1.99 . . 1 . . . . 14 MET HE3 . 1553 1 88 . 1 1 16 16 LYS H H 1 7.85 . . 1 . . . . 15 LYS H . 1553 1 89 . 1 1 16 16 LYS HA H 1 4.11 . . 1 . . . . 15 LYS HA . 1553 1 90 . 1 1 16 16 LYS HB2 H 1 1.89 . . 1 . . . . 15 LYS HB2 . 1553 1 91 . 1 1 16 16 LYS HB3 H 1 1.89 . . 1 . . . . 15 LYS HB3 . 1553 1 92 . 1 1 16 16 LYS HG2 H 1 1.5 . . 2 . . . . 15 LYS HG2 . 1553 1 93 . 1 1 16 16 LYS HG3 H 1 1.58 . . 2 . . . . 15 LYS HG3 . 1553 1 94 . 1 1 16 16 LYS HD2 H 1 1.69 . . 1 . . . . 15 LYS HD2 . 1553 1 95 . 1 1 16 16 LYS HD3 H 1 1.69 . . 1 . . . . 15 LYS HD3 . 1553 1 96 . 1 1 16 16 LYS HE2 H 1 2.99 . . 1 . . . . 15 LYS HE2 . 1553 1 97 . 1 1 16 16 LYS HE3 H 1 2.99 . . 1 . . . . 15 LYS HE3 . 1553 1 98 . 1 1 17 17 ASP H H 1 7.93 . . 1 . . . . 16 ASP H . 1553 1 99 . 1 1 17 17 ASP HA H 1 4.56 . . 1 . . . . 16 ASP HA . 1553 1 100 . 1 1 17 17 ASP HB2 H 1 2.67 . . 1 . . . . 16 ASP HB2 . 1553 1 101 . 1 1 17 17 ASP HB3 H 1 2.67 . . 1 . . . . 16 ASP HB3 . 1553 1 102 . 1 1 18 18 GLY H H 1 8.16 . . 1 . . . . 17 GLY H . 1553 1 103 . 1 1 18 18 GLY HA2 H 1 3.79 . . 2 . . . . 17 GLY HA2 . 1553 1 104 . 1 1 18 18 GLY HA3 H 1 4.1 . . 2 . . . . 17 GLY HA3 . 1553 1 105 . 1 1 19 19 ASP H H 1 7.74 . . 1 . . . . 18 ASP H . 1553 1 106 . 1 1 19 19 ASP HA H 1 4.71 . . 1 . . . . 18 ASP HA . 1553 1 107 . 1 1 19 19 ASP HB2 H 1 2.43 . . 1 . . . . 18 ASP HB2 . 1553 1 108 . 1 1 19 19 ASP HB3 H 1 3.02 . . 1 . . . . 18 ASP HB3 . 1553 1 109 . 1 1 20 20 LYS H H 1 7.86 . . 1 . . . . 19 LYS H . 1553 1 110 . 1 1 20 20 LYS HA H 1 4.15 . . 1 . . . . 19 LYS HA . 1553 1 111 . 1 1 20 20 LYS HB2 H 1 1.9 . . 2 . . . . 19 LYS HB2 . 1553 1 112 . 1 1 20 20 LYS HB3 H 1 1.94 . . 2 . . . . 19 LYS HB3 . 1553 1 113 . 1 1 20 20 LYS HG2 H 1 1.51 . . 2 . . . . 19 LYS HG2 . 1553 1 114 . 1 1 20 20 LYS HG3 H 1 1.59 . . 2 . . . . 19 LYS HG3 . 1553 1 115 . 1 1 20 20 LYS HD2 H 1 1.69 . . 1 . . . . 19 LYS HD2 . 1553 1 116 . 1 1 20 20 LYS HD3 H 1 1.69 . . 1 . . . . 19 LYS HD3 . 1553 1 117 . 1 1 20 20 LYS HE2 H 1 3.03 . . 1 . . . . 19 LYS HE2 . 1553 1 118 . 1 1 20 20 LYS HE3 H 1 3.03 . . 1 . . . . 19 LYS HE3 . 1553 1 119 . 1 1 21 21 ASN H H 1 7.94 . . 1 . . . . 20 ASN H . 1553 1 120 . 1 1 21 21 ASN HA H 1 4.8 . . 1 . . . . 20 ASN HA . 1553 1 121 . 1 1 21 21 ASN HB2 H 1 3.27 . . 1 . . . . 20 ASN HB2 . 1553 1 122 . 1 1 21 21 ASN HB3 H 1 2.84 . . 1 . . . . 20 ASN HB3 . 1553 1 123 . 1 1 21 21 ASN HD21 H 1 6.7 . . 2 . . . . 20 ASN HD21 . 1553 1 124 . 1 1 21 21 ASN HD22 H 1 7.82 . . 2 . . . . 20 ASN HD22 . 1553 1 125 . 1 1 22 22 ASN H H 1 7.75 . . 1 . . . . 21 ASN H . 1553 1 126 . 1 1 22 22 ASN HA H 1 4.43 . . 1 . . . . 21 ASN HA . 1553 1 127 . 1 1 22 22 ASN HB2 H 1 2.65 . . 2 . . . . 21 ASN HB2 . 1553 1 128 . 1 1 22 22 ASN HB3 H 1 3.05 . . 2 . . . . 21 ASN HB3 . 1553 1 129 . 1 1 22 22 ASN HD21 H 1 6.71 . . 2 . . . . 21 ASN HD21 . 1553 1 130 . 1 1 22 22 ASN HD22 H 1 7.48 . . 2 . . . . 21 ASN HD22 . 1553 1 131 . 1 1 23 23 ASP H H 1 8.38 . . 1 . . . . 22 ASP H . 1553 1 132 . 1 1 23 23 ASP HA H 1 4.71 . . 1 . . . . 22 ASP HA . 1553 1 133 . 1 1 23 23 ASP HB2 H 1 3.06 . . 1 . . . . 22 ASP HB2 . 1553 1 134 . 1 1 23 23 ASP HB3 H 1 2.4 . . 1 . . . . 22 ASP HB3 . 1553 1 135 . 1 1 24 24 GLY H H 1 10.05 . . 1 . . . . 23 GLY H . 1553 1 136 . 1 1 24 24 GLY HA2 H 1 3.53 . . 2 . . . . 23 GLY HA2 . 1553 1 137 . 1 1 24 24 GLY HA3 H 1 4.1 . . 2 . . . . 23 GLY HA3 . 1553 1 138 . 1 1 25 25 ARG H H 1 7.94 . . 1 . . . . 24 ARG H . 1553 1 139 . 1 1 25 25 ARG HA H 1 4.75 . . 1 . . . . 24 ARG HA . 1553 1 140 . 1 1 25 25 ARG HB2 H 1 1.67 . . 1 . . . . 24 ARG HB2 . 1553 1 141 . 1 1 25 25 ARG HB3 H 1 1.67 . . 1 . . . . 24 ARG HB3 . 1553 1 142 . 1 1 25 25 ARG HG2 H 1 1.41 . . 2 . . . . 24 ARG HG2 . 1553 1 143 . 1 1 25 25 ARG HG3 H 1 1.48 . . 2 . . . . 24 ARG HG3 . 1553 1 144 . 1 1 25 25 ARG HD2 H 1 3.1 . . 1 . . . . 24 ARG HD2 . 1553 1 145 . 1 1 25 25 ARG HD3 H 1 3.1 . . 1 . . . . 24 ARG HD3 . 1553 1 146 . 1 1 26 26 ILE H H 1 9.02 . . 1 . . . . 25 ILE H . 1553 1 147 . 1 1 26 26 ILE HA H 1 4.98 . . 1 . . . . 25 ILE HA . 1553 1 148 . 1 1 26 26 ILE HB H 1 2.05 . . 1 . . . . 25 ILE HB . 1553 1 149 . 1 1 26 26 ILE HG12 H 1 1.23 . . 2 . . . . 25 ILE HG12 . 1553 1 150 . 1 1 26 26 ILE HG13 H 1 1.42 . . 2 . . . . 25 ILE HG13 . 1553 1 151 . 1 1 26 26 ILE HG21 H 1 1.05 . . 1 . . . . 25 ILE HG21 . 1553 1 152 . 1 1 26 26 ILE HG22 H 1 1.05 . . 1 . . . . 25 ILE HG22 . 1553 1 153 . 1 1 26 26 ILE HG23 H 1 1.05 . . 1 . . . . 25 ILE HG23 . 1553 1 154 . 1 1 26 26 ILE HD11 H 1 .81 . . 1 . . . . 25 ILE HD11 . 1553 1 155 . 1 1 26 26 ILE HD12 H 1 .81 . . 1 . . . . 25 ILE HD12 . 1553 1 156 . 1 1 26 26 ILE HD13 H 1 .81 . . 1 . . . . 25 ILE HD13 . 1553 1 157 . 1 1 27 27 ASP H H 1 8.86 . . 1 . . . . 26 ASP H . 1553 1 158 . 1 1 27 27 ASP HA H 1 4.98 . . 1 . . . . 26 ASP HA . 1553 1 159 . 1 1 27 27 ASP HB2 H 1 3.22 . . 1 . . . . 26 ASP HB2 . 1553 1 160 . 1 1 27 27 ASP HB3 H 1 2.66 . . 1 . . . . 26 ASP HB3 . 1553 1 161 . 1 1 28 28 PHE H H 1 8.63 . . 1 . . . . 27 PHE H . 1553 1 162 . 1 1 28 28 PHE HA H 1 3.73 . . 1 . . . . 27 PHE HA . 1553 1 163 . 1 1 28 28 PHE HB2 H 1 2.98 . . 1 . . . . 27 PHE HB2 . 1553 1 164 . 1 1 28 28 PHE HB3 H 1 2.91 . . 1 . . . . 27 PHE HB3 . 1553 1 165 . 1 1 28 28 PHE HD1 H 1 6.94 . . 1 . . . . 27 PHE HD1 . 1553 1 166 . 1 1 28 28 PHE HD2 H 1 6.94 . . 1 . . . . 27 PHE HD2 . 1553 1 167 . 1 1 28 28 PHE HE1 H 1 7.28 . . 1 . . . . 27 PHE HE1 . 1553 1 168 . 1 1 28 28 PHE HE2 H 1 7.28 . . 1 . . . . 27 PHE HE2 . 1553 1 169 . 1 1 28 28 PHE HZ H 1 7.35 . . 1 . . . . 27 PHE HZ . 1553 1 170 . 1 1 29 29 ASP H H 1 7.99 . . 1 . . . . 28 ASP H . 1553 1 171 . 1 1 29 29 ASP HA H 1 4.19 . . 1 . . . . 28 ASP HA . 1553 1 172 . 1 1 29 29 ASP HB2 H 1 2.64 . . 1 . . . . 28 ASP HB2 . 1553 1 173 . 1 1 29 29 ASP HB3 H 1 2.71 . . 1 . . . . 28 ASP HB3 . 1553 1 174 . 1 1 30 30 GLU H H 1 8.45 . . 1 . . . . 29 GLU H . 1553 1 175 . 1 1 30 30 GLU HA H 1 3.96 . . 1 . . . . 29 GLU HA . 1553 1 176 . 1 1 30 30 GLU HB2 H 1 2.5 . . 1 . . . . 29 GLU HB2 . 1553 1 177 . 1 1 30 30 GLU HB3 H 1 2.22 . . 1 . . . . 29 GLU HB3 . 1553 1 178 . 1 1 30 30 GLU HG2 H 1 2.28 . . 2 . . . . 29 GLU HG2 . 1553 1 179 . 1 1 30 30 GLU HG3 H 1 2.85 . . 2 . . . . 29 GLU HG3 . 1553 1 180 . 1 1 31 31 PHE H H 1 8.83 . . 1 . . . . 30 PHE H . 1553 1 181 . 1 1 31 31 PHE HA H 1 4.04 . . 1 . . . . 30 PHE HA . 1553 1 182 . 1 1 31 31 PHE HB2 H 1 2.99 . . 1 . . . . 30 PHE HB2 . 1553 1 183 . 1 1 31 31 PHE HB3 H 1 3.09 . . 1 . . . . 30 PHE HB3 . 1553 1 184 . 1 1 31 31 PHE HD1 H 1 6.85 . . 1 . . . . 30 PHE HD1 . 1553 1 185 . 1 1 31 31 PHE HD2 H 1 6.85 . . 1 . . . . 30 PHE HD2 . 1553 1 186 . 1 1 31 31 PHE HE1 H 1 7.18 . . 1 . . . . 30 PHE HE1 . 1553 1 187 . 1 1 31 31 PHE HE2 H 1 7.18 . . 1 . . . . 30 PHE HE2 . 1553 1 188 . 1 1 31 31 PHE HZ H 1 7.19 . . 1 . . . . 30 PHE HZ . 1553 1 189 . 1 1 32 32 LEU H H 1 8.22 . . 1 . . . . 31 LEU H . 1553 1 190 . 1 1 32 32 LEU HA H 1 3.57 . . 1 . . . . 31 LEU HA . 1553 1 191 . 1 1 32 32 LEU HB2 H 1 1.6 . . 1 . . . . 31 LEU HB2 . 1553 1 192 . 1 1 32 32 LEU HB3 H 1 1.6 . . 1 . . . . 31 LEU HB3 . 1553 1 193 . 1 1 32 32 LEU HG H 1 1.3 . . 1 . . . . 31 LEU HG . 1553 1 194 . 1 1 32 32 LEU HD11 H 1 .63 . . 2 . . . . 31 LEU HD11 . 1553 1 195 . 1 1 32 32 LEU HD12 H 1 .63 . . 2 . . . . 31 LEU HD12 . 1553 1 196 . 1 1 32 32 LEU HD13 H 1 .63 . . 2 . . . . 31 LEU HD13 . 1553 1 197 . 1 1 32 32 LEU HD21 H 1 .72 . . 2 . . . . 31 LEU HD21 . 1553 1 198 . 1 1 32 32 LEU HD22 H 1 .72 . . 2 . . . . 31 LEU HD22 . 1553 1 199 . 1 1 32 32 LEU HD23 H 1 .72 . . 2 . . . . 31 LEU HD23 . 1553 1 200 . 1 1 33 33 LYS H H 1 7.51 . . 1 . . . . 32 LYS H . 1553 1 201 . 1 1 33 33 LYS HA H 1 4 . . 1 . . . . 32 LYS HA . 1553 1 202 . 1 1 33 33 LYS HB2 H 1 1.85 . . 1 . . . . 32 LYS HB2 . 1553 1 203 . 1 1 33 33 LYS HB3 H 1 1.85 . . 1 . . . . 32 LYS HB3 . 1553 1 204 . 1 1 33 33 LYS HG2 H 1 1.46 . . 2 . . . . 32 LYS HG2 . 1553 1 205 . 1 1 33 33 LYS HG3 H 1 1.54 . . 2 . . . . 32 LYS HG3 . 1553 1 206 . 1 1 33 33 LYS HD2 H 1 1.64 . . 1 . . . . 32 LYS HD2 . 1553 1 207 . 1 1 33 33 LYS HD3 H 1 1.64 . . 1 . . . . 32 LYS HD3 . 1553 1 208 . 1 1 33 33 LYS HE2 H 1 2.95 . . 1 . . . . 32 LYS HE2 . 1553 1 209 . 1 1 33 33 LYS HE3 H 1 2.95 . . 1 . . . . 32 LYS HE3 . 1553 1 210 . 1 1 34 34 MET H H 1 7.82 . . 1 . . . . 33 MET H . 1553 1 211 . 1 1 34 34 MET HA H 1 4.11 . . 1 . . . . 33 MET HA . 1553 1 212 . 1 1 34 34 MET HB2 H 1 2.04 . . 1 . . . . 33 MET HB2 . 1553 1 213 . 1 1 34 34 MET HB3 H 1 2.15 . . 1 . . . . 33 MET HB3 . 1553 1 214 . 1 1 34 34 MET HG2 H 1 2.47 . . 2 . . . . 33 MET HG2 . 1553 1 215 . 1 1 34 34 MET HG3 H 1 2.55 . . 2 . . . . 33 MET HG3 . 1553 1 216 . 1 1 34 34 MET HE1 H 1 1.96 . . 1 . . . . 33 MET HE1 . 1553 1 217 . 1 1 34 34 MET HE2 H 1 1.96 . . 1 . . . . 33 MET HE2 . 1553 1 218 . 1 1 34 34 MET HE3 H 1 1.96 . . 1 . . . . 33 MET HE3 . 1553 1 219 . 1 1 35 35 MET H H 1 7.62 . . 1 . . . . 34 MET H . 1553 1 220 . 1 1 35 35 MET HA H 1 4.11 . . 1 . . . . 34 MET HA . 1553 1 221 . 1 1 35 35 MET HB2 H 1 2.05 . . 1 . . . . 34 MET HB2 . 1553 1 222 . 1 1 35 35 MET HB3 H 1 2.05 . . 1 . . . . 34 MET HB3 . 1553 1 223 . 1 1 35 35 MET HG2 H 1 2.25 . . 2 . . . . 34 MET HG2 . 1553 1 224 . 1 1 35 35 MET HG3 H 1 2.39 . . 2 . . . . 34 MET HG3 . 1553 1 225 . 1 1 35 35 MET HE1 H 1 1.86 . . 1 . . . . 34 MET HE1 . 1553 1 226 . 1 1 35 35 MET HE2 H 1 1.86 . . 1 . . . . 34 MET HE2 . 1553 1 227 . 1 1 35 35 MET HE3 H 1 1.86 . . 1 . . . . 34 MET HE3 . 1553 1 228 . 1 1 36 36 GLU H H 1 7.62 . . 1 . . . . 35 GLU H . 1553 1 229 . 1 1 36 36 GLU HA H 1 4.29 . . 1 . . . . 35 GLU HA . 1553 1 230 . 1 1 36 36 GLU HB2 H 1 1.87 . . 1 . . . . 35 GLU HB2 . 1553 1 231 . 1 1 36 36 GLU HB3 H 1 1.76 . . 1 . . . . 35 GLU HB3 . 1553 1 232 . 1 1 36 36 GLU HG2 H 1 2 . . 1 . . . . 35 GLU HG2 . 1553 1 233 . 1 1 36 36 GLU HG3 H 1 2 . . 1 . . . . 35 GLU HG3 . 1553 1 234 . 1 1 37 37 GLY H H 1 8.01 . . 1 . . . . 36 GLY H . 1553 1 235 . 1 1 37 37 GLY HA2 H 1 3.95 . . 2 . . . . 36 GLY HA2 . 1553 1 236 . 1 1 37 37 GLY HA3 H 1 4 . . 2 . . . . 36 GLY HA3 . 1553 1 237 . 1 1 38 38 VAL H H 1 7.62 . . 1 . . . . 37 VAL H . 1553 1 238 . 1 1 38 38 VAL HA H 1 4.15 . . 1 . . . . 37 VAL HA . 1553 1 239 . 1 1 38 38 VAL HB H 1 2.15 . . 1 . . . . 37 VAL HB . 1553 1 240 . 1 1 38 38 VAL HG11 H 1 .92 . . 1 . . . . 37 VAL HG11 . 1553 1 241 . 1 1 38 38 VAL HG12 H 1 .92 . . 1 . . . . 37 VAL HG12 . 1553 1 242 . 1 1 38 38 VAL HG13 H 1 .92 . . 1 . . . . 37 VAL HG13 . 1553 1 243 . 1 1 38 38 VAL HG21 H 1 .92 . . 1 . . . . 37 VAL HG21 . 1553 1 244 . 1 1 38 38 VAL HG22 H 1 .92 . . 1 . . . . 37 VAL HG22 . 1553 1 245 . 1 1 38 38 VAL HG23 H 1 .92 . . 1 . . . . 37 VAL HG23 . 1553 1 246 . 1 1 39 39 GLN H H 1 7.81 . . 1 . . . . 38 GLN H . 1553 1 247 . 1 1 39 39 GLN HA H 1 4.16 . . 1 . . . . 38 GLN HA . 1553 1 248 . 1 1 39 39 GLN HB2 H 1 1.93 . . 1 . . . . 38 GLN HB2 . 1553 1 249 . 1 1 39 39 GLN HB3 H 1 1.93 . . 1 . . . . 38 GLN HB3 . 1553 1 250 . 1 1 39 39 GLN HG2 H 1 2.29 . . 1 . . . . 38 GLN HG2 . 1553 1 251 . 1 1 39 39 GLN HG3 H 1 2.29 . . 1 . . . . 38 GLN HG3 . 1553 1 252 . 1 1 39 39 GLN HE21 H 1 6.85 . . 2 . . . . 38 GLN HE21 . 1553 1 253 . 1 1 39 39 GLN HE22 H 1 7.4 . . 2 . . . . 38 GLN HE22 . 1553 1 stop_ save_