data_1474 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1474 _Entry.Title ; Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b ; _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 Keith Constantine . L. . 1474 2 Vasudevan Ramesh . . . 1474 3 Laszlo Banyai . . . 1474 4 Maria Trexler . . . 1474 5 Laszlo Patthy . . . 1474 6 M. Llinas . . . 1474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 278 1474 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 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1474 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1474 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1474 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1474 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1474 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1474 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Constantine, Keith L., Ramesh, Vasudevan, Banyai, Laszlo, Trexler, Maria, Patthy, Laszlo, Llinas, M., "Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b," Biochemistry 30, 1663-1672 (1991). ; _Citation.Title ; Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b ; _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 1663 _Citation.Page_last 1672 _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 Keith Constantine . L. . 1474 1 2 Vasudevan Ramesh . . . 1474 1 3 Laszlo Banyai . . . 1474 1 4 Maria Trexler . . . 1474 1 5 Laszlo Patthy . . . 1474 1 6 M. Llinas . . . 1474 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_bovine_seminal_fluid_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_bovine_seminal_fluid_protein _Assembly.Entry_ID 1474 _Assembly.ID 1 _Assembly.Name 'bovine seminal fluid protein' _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 'bovine seminal fluid protein' 1 $bovine_seminal_fluid_protein . . . . . . . . . 1474 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'bovine seminal fluid protein' system 1474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bovine_seminal_fluid_protein _Entity.Sf_category entity _Entity.Sf_framecode bovine_seminal_fluid_protein _Entity.Entry_ID 1474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'bovine seminal fluid protein' _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 ; DYAKCVFPFIYGGKKYETCT KIGSMWMSWCSLSPNYDKDR AWKYC ; _Entity.Polymer_seq_one_letter_code ; DYAKCVFPFIYGGKKYETCT KIGSMWMSWCSLSPNYDKDR AWKYC ; _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 45 _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 1H8P . "Bull Seminal Plasma Pdc-109 Fibronectin Type Ii Module" . . . . . 100.00 109 100.00 100.00 8.16e-24 . . . . 1474 1 2 no PDB 1PDC . "Refined Solution Structure And Ligand-Binding Properties Of Pdc-109 Domain B. A Collagen-Binding Type Ii Domain" . . . . . 100.00 45 100.00 100.00 4.72e-24 . . . . 1474 1 3 no EMBL CAA43021 . "bovine seminal vesicle secretory protein SVSP109 [Bos taurus]" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 4 no EMBL CAA83915 . "SVSP109 [Bos taurus]" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 5 no GB AAA30766 . "seminal vesicle secretory protein 109 precursor [Bos taurus]" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 6 no GB AKZ18231 . "binder of sperm 1 [Bubalus bubalis]" . . . . . 100.00 138 97.78 97.78 2.84e-23 . . . . 1474 1 7 no PRF 1512339A . "major seminal protein" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 8 no REF NP_001001145 . "seminal plasma protein PDC-109 precursor [Bos taurus]" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 9 no REF XP_005907227 . "PREDICTED: seminal plasma protein PDC-109 [Bos mutus]" . . . . . 100.00 135 97.78 97.78 4.47e-23 . . . . 1474 1 10 no REF XP_006052464 . "PREDICTED: seminal plasma protein PDC-109-like [Bubalus bubalis]" . . . . . 100.00 135 97.78 97.78 2.25e-23 . . . . 1474 1 11 no SP P02784 . "RecName: Full=Seminal plasma protein PDC-109; AltName: Full=BSP-A1 and BSP-A2; AltName: Full=Seminal vesicle secretory protein " . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 12 no TPG DAA19540 . "TPA: seminal plasma protein PDC-109 precursor [Bos taurus]" . . . . . 100.00 134 100.00 100.00 7.53e-24 . . . . 1474 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'bovine seminal fluid protein' common 1474 1 'PDC-109 domain b' variant 1474 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 ASP . 1474 1 2 2 TYR . 1474 1 3 3 ALA . 1474 1 4 4 LYS . 1474 1 5 5 CYS . 1474 1 6 6 VAL . 1474 1 7 7 PHE . 1474 1 8 8 PRO . 1474 1 9 9 PHE . 1474 1 10 10 ILE . 1474 1 11 11 TYR . 1474 1 12 12 GLY . 1474 1 13 13 GLY . 1474 1 14 14 LYS . 1474 1 15 15 LYS . 1474 1 16 16 TYR . 1474 1 17 17 GLU . 1474 1 18 18 THR . 1474 1 19 19 CYS . 1474 1 20 20 THR . 1474 1 21 21 LYS . 1474 1 22 22 ILE . 1474 1 23 23 GLY . 1474 1 24 24 SER . 1474 1 25 25 MET . 1474 1 26 26 TRP . 1474 1 27 27 MET . 1474 1 28 28 SER . 1474 1 29 29 TRP . 1474 1 30 30 CYS . 1474 1 31 31 SER . 1474 1 32 32 LEU . 1474 1 33 33 SER . 1474 1 34 34 PRO . 1474 1 35 35 ASN . 1474 1 36 36 TYR . 1474 1 37 37 ASP . 1474 1 38 38 LYS . 1474 1 39 39 ASP . 1474 1 40 40 ARG . 1474 1 41 41 ALA . 1474 1 42 42 TRP . 1474 1 43 43 LYS . 1474 1 44 44 TYR . 1474 1 45 45 CYS . 1474 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 . ASP 1 1 1474 1 . TYR 2 2 1474 1 . ALA 3 3 1474 1 . LYS 4 4 1474 1 . CYS 5 5 1474 1 . VAL 6 6 1474 1 . PHE 7 7 1474 1 . PRO 8 8 1474 1 . PHE 9 9 1474 1 . ILE 10 10 1474 1 . TYR 11 11 1474 1 . GLY 12 12 1474 1 . GLY 13 13 1474 1 . LYS 14 14 1474 1 . LYS 15 15 1474 1 . TYR 16 16 1474 1 . GLU 17 17 1474 1 . THR 18 18 1474 1 . CYS 19 19 1474 1 . THR 20 20 1474 1 . LYS 21 21 1474 1 . ILE 22 22 1474 1 . GLY 23 23 1474 1 . SER 24 24 1474 1 . MET 25 25 1474 1 . TRP 26 26 1474 1 . MET 27 27 1474 1 . SER 28 28 1474 1 . TRP 29 29 1474 1 . CYS 30 30 1474 1 . SER 31 31 1474 1 . LEU 32 32 1474 1 . SER 33 33 1474 1 . PRO 34 34 1474 1 . ASN 35 35 1474 1 . TYR 36 36 1474 1 . ASP 37 37 1474 1 . LYS 38 38 1474 1 . ASP 39 39 1474 1 . ARG 40 40 1474 1 . ALA 41 41 1474 1 . TRP 42 42 1474 1 . LYS 43 43 1474 1 . TYR 44 44 1474 1 . CYS 45 45 1474 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 1474 _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 $bovine_seminal_fluid_protein . 9909 organism . 'Bos primigenius' cow . . Eukaryota Metazoa Bos primigenius generic . . . . . . . . . . . 'seminal plasma' . . . . . . . . 1474 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 1474 _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 $bovine_seminal_fluid_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1474 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1474 _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 . 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 1474 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . na 1474 1 temperature 300 . K 1474 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 1474 _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 1474 _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' . . 1474 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 1474 _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 . . . . . . . . . . . . . . . . 1474 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 1474 _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 . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1474 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 1474 _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 . 1474 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 TYR HA H 1 4.7 . . 1 . . . . . . . . 1474 1 2 . 1 1 2 2 TYR HB2 H 1 3.01 . . 2 . . . . . . . . 1474 1 3 . 1 1 2 2 TYR HB3 H 1 3.14 . . 2 . . . . . . . . 1474 1 4 . 1 1 2 2 TYR HD1 H 1 7.18 . . 1 . . . . . . . . 1474 1 5 . 1 1 2 2 TYR HD2 H 1 7.18 . . 1 . . . . . . . . 1474 1 6 . 1 1 2 2 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 1474 1 7 . 1 1 2 2 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 1474 1 8 . 1 1 3 3 ALA H H 1 8.16 . . 1 . . . . . . . . 1474 1 9 . 1 1 3 3 ALA HA H 1 4.25 . . 1 . . . . . . . . 1474 1 10 . 1 1 3 3 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 1474 1 11 . 1 1 3 3 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 1474 1 12 . 1 1 3 3 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 1474 1 13 . 1 1 5 5 CYS H H 1 8.17 . . 1 . . . . . . . . 1474 1 14 . 1 1 5 5 CYS HA H 1 4.22 . . 1 . . . . . . . . 1474 1 15 . 1 1 5 5 CYS HB2 H 1 3.09 . . 2 . . . . . . . . 1474 1 16 . 1 1 5 5 CYS HB3 H 1 2.53 . . 2 . . . . . . . . 1474 1 17 . 1 1 6 6 VAL H H 1 7.89 . . 1 . . . . . . . . 1474 1 18 . 1 1 6 6 VAL HA H 1 3.82 . . 1 . . . . . . . . 1474 1 19 . 1 1 6 6 VAL HB H 1 1.36 . . 1 . . . . . . . . 1474 1 20 . 1 1 6 6 VAL HG11 H 1 .69 . . 1 . . . . . . . . 1474 1 21 . 1 1 6 6 VAL HG12 H 1 .69 . . 1 . . . . . . . . 1474 1 22 . 1 1 6 6 VAL HG13 H 1 .69 . . 1 . . . . . . . . 1474 1 23 . 1 1 6 6 VAL HG21 H 1 .74 . . 1 . . . . . . . . 1474 1 24 . 1 1 6 6 VAL HG22 H 1 .74 . . 1 . . . . . . . . 1474 1 25 . 1 1 6 6 VAL HG23 H 1 .74 . . 1 . . . . . . . . 1474 1 26 . 1 1 7 7 PHE H H 1 7.84 . . 1 . . . . . . . . 1474 1 27 . 1 1 7 7 PHE HA H 1 5.29 . . 1 . . . . . . . . 1474 1 28 . 1 1 7 7 PHE HB2 H 1 2.77 . . 1 . . . . . . . . 1474 1 29 . 1 1 7 7 PHE HB3 H 1 3.06 . . 1 . . . . . . . . 1474 1 30 . 1 1 7 7 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 1474 1 31 . 1 1 7 7 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 1474 1 32 . 1 1 7 7 PHE HE1 H 1 7.13 . . 1 . . . . . . . . 1474 1 33 . 1 1 7 7 PHE HE2 H 1 7.13 . . 1 . . . . . . . . 1474 1 34 . 1 1 7 7 PHE HZ H 1 6.85 . . 1 . . . . . . . . 1474 1 35 . 1 1 8 8 PRO HA H 1 5.4 . . 1 . . . . . . . . 1474 1 36 . 1 1 8 8 PRO HB2 H 1 1.92 . . 1 . . . . . . . . 1474 1 37 . 1 1 8 8 PRO HB3 H 1 2.37 . . 1 . . . . . . . . 1474 1 38 . 1 1 8 8 PRO HG2 H 1 2.06 . . 2 . . . . . . . . 1474 1 39 . 1 1 8 8 PRO HG3 H 1 2.61 . . 2 . . . . . . . . 1474 1 40 . 1 1 9 9 PHE H H 1 8.89 . . 1 . . . . . . . . 1474 1 41 . 1 1 9 9 PHE HA H 1 5.79 . . 1 . . . . . . . . 1474 1 42 . 1 1 9 9 PHE HB2 H 1 3.7 . . 2 . . . . . . . . 1474 1 43 . 1 1 9 9 PHE HB3 H 1 3.05 . . 2 . . . . . . . . 1474 1 44 . 1 1 9 9 PHE HD1 H 1 7.62 . . 1 . . . . . . . . 1474 1 45 . 1 1 9 9 PHE HD2 H 1 7.62 . . 1 . . . . . . . . 1474 1 46 . 1 1 9 9 PHE HE1 H 1 6.94 . . 1 . . . . . . . . 1474 1 47 . 1 1 9 9 PHE HE2 H 1 6.94 . . 1 . . . . . . . . 1474 1 48 . 1 1 9 9 PHE HZ H 1 6.41 . . 1 . . . . . . . . 1474 1 49 . 1 1 10 10 ILE H H 1 8.37 . . 1 . . . . . . . . 1474 1 50 . 1 1 10 10 ILE HA H 1 5.25 . . 1 . . . . . . . . 1474 1 51 . 1 1 10 10 ILE HB H 1 1.96 . . 1 . . . . . . . . 1474 1 52 . 1 1 10 10 ILE HG12 H 1 1.24 . . 2 . . . . . . . . 1474 1 53 . 1 1 10 10 ILE HG13 H 1 1.69 . . 2 . . . . . . . . 1474 1 54 . 1 1 10 10 ILE HG21 H 1 .96 . . 1 . . . . . . . . 1474 1 55 . 1 1 10 10 ILE HG22 H 1 .96 . . 1 . . . . . . . . 1474 1 56 . 1 1 10 10 ILE HG23 H 1 .96 . . 1 . . . . . . . . 1474 1 57 . 1 1 10 10 ILE HD11 H 1 .84 . . 1 . . . . . . . . 1474 1 58 . 1 1 10 10 ILE HD12 H 1 .84 . . 1 . . . . . . . . 1474 1 59 . 1 1 10 10 ILE HD13 H 1 .84 . . 1 . . . . . . . . 1474 1 60 . 1 1 11 11 TYR H H 1 9.55 . . 1 . . . . . . . . 1474 1 61 . 1 1 11 11 TYR HA H 1 5.49 . . 1 . . . . . . . . 1474 1 62 . 1 1 11 11 TYR HB2 H 1 3.15 . . 2 . . . . . . . . 1474 1 63 . 1 1 11 11 TYR HB3 H 1 3.46 . . 2 . . . . . . . . 1474 1 64 . 1 1 11 11 TYR HD1 H 1 7.15 . . 1 . . . . . . . . 1474 1 65 . 1 1 11 11 TYR HD2 H 1 7.15 . . 1 . . . . . . . . 1474 1 66 . 1 1 11 11 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 1474 1 67 . 1 1 11 11 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 1474 1 68 . 1 1 12 12 GLY H H 1 12.22 . . 1 . . . . . . . . 1474 1 69 . 1 1 12 12 GLY HA2 H 1 3.48 . . 2 . . . . . . . . 1474 1 70 . 1 1 12 12 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 1474 1 71 . 1 1 13 13 GLY H H 1 8.9 . . 1 . . . . . . . . 1474 1 72 . 1 1 13 13 GLY HA2 H 1 3.59 . . 2 . . . . . . . . 1474 1 73 . 1 1 13 13 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 1474 1 74 . 1 1 14 14 LYS H H 1 7.78 . . 1 . . . . . . . . 1474 1 75 . 1 1 14 14 LYS HA H 1 4.63 . . 1 . . . . . . . . 1474 1 76 . 1 1 14 14 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 1474 1 77 . 1 1 14 14 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 1474 1 78 . 1 1 14 14 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 1474 1 79 . 1 1 14 14 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 1474 1 80 . 1 1 14 14 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 1474 1 81 . 1 1 14 14 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 1474 1 82 . 1 1 14 14 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 1474 1 83 . 1 1 14 14 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 1474 1 84 . 1 1 15 15 LYS H H 1 8.13 . . 1 . . . . . . . . 1474 1 85 . 1 1 15 15 LYS HA H 1 4.78 . . 1 . . . . . . . . 1474 1 86 . 1 1 15 15 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 1474 1 87 . 1 1 15 15 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 1474 1 88 . 1 1 15 15 LYS HG2 H 1 1.14 . . 1 . . . . . . . . 1474 1 89 . 1 1 15 15 LYS HG3 H 1 1.14 . . 1 . . . . . . . . 1474 1 90 . 1 1 15 15 LYS HD2 H 1 1.41 . . 1 . . . . . . . . 1474 1 91 . 1 1 15 15 LYS HD3 H 1 1.41 . . 1 . . . . . . . . 1474 1 92 . 1 1 15 15 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 1474 1 93 . 1 1 15 15 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 1474 1 94 . 1 1 16 16 TYR H H 1 9.28 . . 1 . . . . . . . . 1474 1 95 . 1 1 16 16 TYR HA H 1 4.3 . . 1 . . . . . . . . 1474 1 96 . 1 1 16 16 TYR HB2 H 1 1.16 . . 2 . . . . . . . . 1474 1 97 . 1 1 16 16 TYR HB3 H 1 2.54 . . 2 . . . . . . . . 1474 1 98 . 1 1 16 16 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 1474 1 99 . 1 1 16 16 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 1474 1 100 . 1 1 16 16 TYR HE1 H 1 7.14 . . 1 . . . . . . . . 1474 1 101 . 1 1 16 16 TYR HE2 H 1 7.14 . . 1 . . . . . . . . 1474 1 102 . 1 1 17 17 GLU H H 1 8.83 . . 1 . . . . . . . . 1474 1 103 . 1 1 17 17 GLU HA H 1 4.38 . . 1 . . . . . . . . 1474 1 104 . 1 1 17 17 GLU HB2 H 1 1.79 . . 2 . . . . . . . . 1474 1 105 . 1 1 17 17 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 1474 1 106 . 1 1 18 18 THR H H 1 7.43 . . 1 . . . . . . . . 1474 1 107 . 1 1 18 18 THR HA H 1 3.67 . . 1 . . . . . . . . 1474 1 108 . 1 1 18 18 THR HB H 1 4.21 . . 1 . . . . . . . . 1474 1 109 . 1 1 18 18 THR HG21 H 1 1.02 . . 1 . . . . . . . . 1474 1 110 . 1 1 18 18 THR HG22 H 1 1.02 . . 1 . . . . . . . . 1474 1 111 . 1 1 18 18 THR HG23 H 1 1.02 . . 1 . . . . . . . . 1474 1 112 . 1 1 19 19 CYS H H 1 8.2 . . 1 . . . . . . . . 1474 1 113 . 1 1 19 19 CYS HA H 1 4.75 . . 1 . . . . . . . . 1474 1 114 . 1 1 19 19 CYS HB2 H 1 2.9 . . 2 . . . . . . . . 1474 1 115 . 1 1 19 19 CYS HB3 H 1 3.56 . . 2 . . . . . . . . 1474 1 116 . 1 1 20 20 THR H H 1 8.82 . . 1 . . . . . . . . 1474 1 117 . 1 1 20 20 THR HA H 1 4.78 . . 1 . . . . . . . . 1474 1 118 . 1 1 20 20 THR HB H 1 3.65 . . 1 . . . . . . . . 1474 1 119 . 1 1 20 20 THR HG21 H 1 .09 . . 1 . . . . . . . . 1474 1 120 . 1 1 20 20 THR HG22 H 1 .09 . . 1 . . . . . . . . 1474 1 121 . 1 1 20 20 THR HG23 H 1 .09 . . 1 . . . . . . . . 1474 1 122 . 1 1 21 21 LYS H H 1 8.31 . . 1 . . . . . . . . 1474 1 123 . 1 1 21 21 LYS HA H 1 4.67 . . 1 . . . . . . . . 1474 1 124 . 1 1 21 21 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 1474 1 125 . 1 1 21 21 LYS HB3 H 1 2.06 . . 2 . . . . . . . . 1474 1 126 . 1 1 21 21 LYS HG2 H 1 1.27 . . 2 . . . . . . . . 1474 1 127 . 1 1 21 21 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 1474 1 128 . 1 1 22 22 ILE H H 1 8.41 . . 1 . . . . . . . . 1474 1 129 . 1 1 22 22 ILE HA H 1 4.05 . . 1 . . . . . . . . 1474 1 130 . 1 1 22 22 ILE HB H 1 1.93 . . 1 . . . . . . . . 1474 1 131 . 1 1 22 22 ILE HG12 H 1 1.39 . . 2 . . . . . . . . 1474 1 132 . 1 1 22 22 ILE HG13 H 1 1.64 . . 2 . . . . . . . . 1474 1 133 . 1 1 22 22 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 1474 1 134 . 1 1 22 22 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 1474 1 135 . 1 1 22 22 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 1474 1 136 . 1 1 22 22 ILE HD11 H 1 .94 . . 1 . . . . . . . . 1474 1 137 . 1 1 22 22 ILE HD12 H 1 .94 . . 1 . . . . . . . . 1474 1 138 . 1 1 22 22 ILE HD13 H 1 .94 . . 1 . . . . . . . . 1474 1 139 . 1 1 23 23 GLY H H 1 8.63 . . 1 . . . . . . . . 1474 1 140 . 1 1 23 23 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 1474 1 141 . 1 1 23 23 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 1474 1 142 . 1 1 24 24 SER H H 1 8.14 . . 1 . . . . . . . . 1474 1 143 . 1 1 24 24 SER HA H 1 4.5 . . 1 . . . . . . . . 1474 1 144 . 1 1 24 24 SER HB2 H 1 3.76 . . 2 . . . . . . . . 1474 1 145 . 1 1 24 24 SER HB3 H 1 3.88 . . 2 . . . . . . . . 1474 1 146 . 1 1 25 25 MET H H 1 8.45 . . 1 . . . . . . . . 1474 1 147 . 1 1 25 25 MET HA H 1 4.39 . . 1 . . . . . . . . 1474 1 148 . 1 1 25 25 MET HB2 H 1 1.4 . . 2 . . . . . . . . 1474 1 149 . 1 1 25 25 MET HB3 H 1 1.92 . . 2 . . . . . . . . 1474 1 150 . 1 1 25 25 MET HG3 H 1 2.19 . . 1 . . . . . . . . 1474 1 151 . 1 1 26 26 TRP H H 1 8.34 . . 1 . . . . . . . . 1474 1 152 . 1 1 26 26 TRP HA H 1 4.83 . . 1 . . . . . . . . 1474 1 153 . 1 1 26 26 TRP HB2 H 1 3.28 . . 2 . . . . . . . . 1474 1 154 . 1 1 26 26 TRP HB3 H 1 3.34 . . 2 . . . . . . . . 1474 1 155 . 1 1 26 26 TRP HD1 H 1 7.19 . . 1 . . . . . . . . 1474 1 156 . 1 1 26 26 TRP HE1 H 1 10.19 . . 1 . . . . . . . . 1474 1 157 . 1 1 26 26 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 1474 1 158 . 1 1 26 26 TRP HZ3 H 1 7.13 . . 1 . . . . . . . . 1474 1 159 . 1 1 26 26 TRP HH2 H 1 7.22 . . 1 . . . . . . . . 1474 1 160 . 1 1 27 27 MET H H 1 7.55 . . 1 . . . . . . . . 1474 1 161 . 1 1 27 27 MET HA H 1 4.55 . . 1 . . . . . . . . 1474 1 162 . 1 1 27 27 MET HB2 H 1 1.72 . . 2 . . . . . . . . 1474 1 163 . 1 1 27 27 MET HB3 H 1 2.06 . . 2 . . . . . . . . 1474 1 164 . 1 1 27 27 MET HG2 H 1 2.38 . . 1 . . . . . . . . 1474 1 165 . 1 1 27 27 MET HG3 H 1 2.38 . . 1 . . . . . . . . 1474 1 166 . 1 1 28 28 SER H H 1 8.66 . . 1 . . . . . . . . 1474 1 167 . 1 1 28 28 SER HA H 1 5.02 . . 1 . . . . . . . . 1474 1 168 . 1 1 28 28 SER HB2 H 1 3.74 . . 2 . . . . . . . . 1474 1 169 . 1 1 28 28 SER HB3 H 1 3.8 . . 2 . . . . . . . . 1474 1 170 . 1 1 29 29 TRP H H 1 9.58 . . 1 . . . . . . . . 1474 1 171 . 1 1 29 29 TRP HA H 1 5.78 . . 1 . . . . . . . . 1474 1 172 . 1 1 29 29 TRP HB2 H 1 2.97 . . 2 . . . . . . . . 1474 1 173 . 1 1 29 29 TRP HB3 H 1 3.68 . . 2 . . . . . . . . 1474 1 174 . 1 1 29 29 TRP HD1 H 1 7.1 . . 1 . . . . . . . . 1474 1 175 . 1 1 29 29 TRP HE1 H 1 9.66 . . 1 . . . . . . . . 1474 1 176 . 1 1 29 29 TRP HE3 H 1 7.08 . . 1 . . . . . . . . 1474 1 177 . 1 1 29 29 TRP HZ2 H 1 5.6 . . 1 . . . . . . . . 1474 1 178 . 1 1 29 29 TRP HZ3 H 1 5.77 . . 1 . . . . . . . . 1474 1 179 . 1 1 29 29 TRP HH2 H 1 5.39 . . 1 . . . . . . . . 1474 1 180 . 1 1 30 30 CYS H H 1 9.49 . . 1 . . . . . . . . 1474 1 181 . 1 1 30 30 CYS HA H 1 4.48 . . 1 . . . . . . . . 1474 1 182 . 1 1 30 30 CYS HB2 H 1 2.01 . . 2 . . . . . . . . 1474 1 183 . 1 1 30 30 CYS HB3 H 1 2.28 . . 2 . . . . . . . . 1474 1 184 . 1 1 31 31 SER HA H 1 4.99 . . 1 . . . . . . . . 1474 1 185 . 1 1 31 31 SER HB2 H 1 3.09 . . 2 . . . . . . . . 1474 1 186 . 1 1 31 31 SER HB3 H 1 3.45 . . 2 . . . . . . . . 1474 1 187 . 1 1 32 32 LEU H H 1 8.02 . . 1 . . . . . . . . 1474 1 188 . 1 1 32 32 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 1474 1 189 . 1 1 32 32 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 1474 1 190 . 1 1 32 32 LEU HG H 1 1.25 . . 1 . . . . . . . . 1474 1 191 . 1 1 32 32 LEU HD11 H 1 .53 . . 2 . . . . . . . . 1474 1 192 . 1 1 32 32 LEU HD12 H 1 .53 . . 2 . . . . . . . . 1474 1 193 . 1 1 32 32 LEU HD13 H 1 .53 . . 2 . . . . . . . . 1474 1 194 . 1 1 32 32 LEU HD21 H 1 .7 . . 2 . . . . . . . . 1474 1 195 . 1 1 32 32 LEU HD22 H 1 .7 . . 2 . . . . . . . . 1474 1 196 . 1 1 32 32 LEU HD23 H 1 .7 . . 2 . . . . . . . . 1474 1 197 . 1 1 33 33 SER H H 1 8.4 . . 1 . . . . . . . . 1474 1 198 . 1 1 33 33 SER HA H 1 5.12 . . 1 . . . . . . . . 1474 1 199 . 1 1 33 33 SER HB2 H 1 3.64 . . 2 . . . . . . . . 1474 1 200 . 1 1 33 33 SER HB3 H 1 4.41 . . 2 . . . . . . . . 1474 1 201 . 1 1 34 34 PRO HA H 1 4.66 . . 1 . . . . . . . . 1474 1 202 . 1 1 34 34 PRO HB2 H 1 2.02 . . 1 . . . . . . . . 1474 1 203 . 1 1 34 34 PRO HB3 H 1 2.73 . . 1 . . . . . . . . 1474 1 204 . 1 1 34 34 PRO HG2 H 1 2.11 . . 2 . . . . . . . . 1474 1 205 . 1 1 34 34 PRO HG3 H 1 2.22 . . 2 . . . . . . . . 1474 1 206 . 1 1 34 34 PRO HD2 H 1 3.91 . . 2 . . . . . . . . 1474 1 207 . 1 1 34 34 PRO HD3 H 1 4 . . 2 . . . . . . . . 1474 1 208 . 1 1 35 35 ASN H H 1 8.15 . . 1 . . . . . . . . 1474 1 209 . 1 1 35 35 ASN HA H 1 5.24 . . 1 . . . . . . . . 1474 1 210 . 1 1 35 35 ASN HB2 H 1 2.6 . . 2 . . . . . . . . 1474 1 211 . 1 1 35 35 ASN HB3 H 1 3.19 . . 2 . . . . . . . . 1474 1 212 . 1 1 35 35 ASN HD21 H 1 7.19 . . 2 . . . . . . . . 1474 1 213 . 1 1 35 35 ASN HD22 H 1 7.7 . . 2 . . . . . . . . 1474 1 214 . 1 1 36 36 TYR H H 1 9.15 . . 1 . . . . . . . . 1474 1 215 . 1 1 36 36 TYR HA H 1 5.09 . . 1 . . . . . . . . 1474 1 216 . 1 1 36 36 TYR HB2 H 1 3.48 . . 1 . . . . . . . . 1474 1 217 . 1 1 36 36 TYR HB3 H 1 3.76 . . 1 . . . . . . . . 1474 1 218 . 1 1 36 36 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 1474 1 219 . 1 1 36 36 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 1474 1 220 . 1 1 36 36 TYR HE1 H 1 6.46 . . 1 . . . . . . . . 1474 1 221 . 1 1 36 36 TYR HE2 H 1 6.46 . . 1 . . . . . . . . 1474 1 222 . 1 1 37 37 ASP H H 1 7.69 . . 1 . . . . . . . . 1474 1 223 . 1 1 37 37 ASP HA H 1 4.32 . . 1 . . . . . . . . 1474 1 224 . 1 1 37 37 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 1474 1 225 . 1 1 37 37 ASP HB3 H 1 3.18 . . 1 . . . . . . . . 1474 1 226 . 1 1 38 38 LYS HG2 H 1 1.17 . . 2 . . . . . . . . 1474 1 227 . 1 1 38 38 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 1474 1 228 . 1 1 38 38 LYS HZ1 H 1 6.98 . . 1 . . . . . . . . 1474 1 229 . 1 1 38 38 LYS HZ2 H 1 6.98 . . 1 . . . . . . . . 1474 1 230 . 1 1 38 38 LYS HZ3 H 1 6.98 . . 1 . . . . . . . . 1474 1 231 . 1 1 39 39 ASP H H 1 7.75 . . 1 . . . . . . . . 1474 1 232 . 1 1 39 39 ASP HA H 1 4.54 . . 1 . . . . . . . . 1474 1 233 . 1 1 39 39 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 1474 1 234 . 1 1 39 39 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 1474 1 235 . 1 1 40 40 ARG H H 1 7.98 . . 1 . . . . . . . . 1474 1 236 . 1 1 40 40 ARG HA H 1 4.21 . . 1 . . . . . . . . 1474 1 237 . 1 1 40 40 ARG HB2 H 1 1.76 . . 2 . . . . . . . . 1474 1 238 . 1 1 40 40 ARG HB3 H 1 1.88 . . 2 . . . . . . . . 1474 1 239 . 1 1 40 40 ARG HG2 H 1 1.62 . . 1 . . . . . . . . 1474 1 240 . 1 1 40 40 ARG HG3 H 1 1.62 . . 1 . . . . . . . . 1474 1 241 . 1 1 40 40 ARG HD2 H 1 3.08 . . 2 . . . . . . . . 1474 1 242 . 1 1 40 40 ARG HD3 H 1 3.23 . . 2 . . . . . . . . 1474 1 243 . 1 1 40 40 ARG HE H 1 5.84 . . 1 . . . . . . . . 1474 1 244 . 1 1 41 41 ALA H H 1 8.54 . . 1 . . . . . . . . 1474 1 245 . 1 1 41 41 ALA HA H 1 5.01 . . 1 . . . . . . . . 1474 1 246 . 1 1 41 41 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1474 1 247 . 1 1 41 41 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1474 1 248 . 1 1 41 41 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1474 1 249 . 1 1 42 42 TRP H H 1 8.57 . . 1 . . . . . . . . 1474 1 250 . 1 1 42 42 TRP HA H 1 5.58 . . 1 . . . . . . . . 1474 1 251 . 1 1 42 42 TRP HB2 H 1 3.06 . . 2 . . . . . . . . 1474 1 252 . 1 1 42 42 TRP HB3 H 1 3.44 . . 2 . . . . . . . . 1474 1 253 . 1 1 42 42 TRP HD1 H 1 7.24 . . 1 . . . . . . . . 1474 1 254 . 1 1 42 42 TRP HE1 H 1 9.81 . . 1 . . . . . . . . 1474 1 255 . 1 1 42 42 TRP HE3 H 1 6.84 . . 1 . . . . . . . . 1474 1 256 . 1 1 42 42 TRP HZ2 H 1 7.17 . . 1 . . . . . . . . 1474 1 257 . 1 1 42 42 TRP HZ3 H 1 5.16 . . 1 . . . . . . . . 1474 1 258 . 1 1 42 42 TRP HH2 H 1 6.71 . . 1 . . . . . . . . 1474 1 259 . 1 1 43 43 LYS H H 1 8.88 . . 1 . . . . . . . . 1474 1 260 . 1 1 43 43 LYS HA H 1 4.09 . . 1 . . . . . . . . 1474 1 261 . 1 1 43 43 LYS HB2 H 1 1.6 . . 2 . . . . . . . . 1474 1 262 . 1 1 43 43 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 1474 1 263 . 1 1 43 43 LYS HG2 H 1 1.14 . . 1 . . . . . . . . 1474 1 264 . 1 1 43 43 LYS HG3 H 1 1.14 . . 1 . . . . . . . . 1474 1 265 . 1 1 43 43 LYS HD2 H 1 1.35 . . 2 . . . . . . . . 1474 1 266 . 1 1 43 43 LYS HD3 H 1 1.41 . . 2 . . . . . . . . 1474 1 267 . 1 1 44 44 TYR H H 1 8.43 . . 1 . . . . . . . . 1474 1 268 . 1 1 44 44 TYR HA H 1 5.28 . . 1 . . . . . . . . 1474 1 269 . 1 1 44 44 TYR HB2 H 1 3.46 . . 1 . . . . . . . . 1474 1 270 . 1 1 44 44 TYR HB3 H 1 2.86 . . 1 . . . . . . . . 1474 1 271 . 1 1 44 44 TYR HD1 H 1 7.44 . . 1 . . . . . . . . 1474 1 272 . 1 1 44 44 TYR HD2 H 1 7.44 . . 1 . . . . . . . . 1474 1 273 . 1 1 44 44 TYR HE1 H 1 6.95 . . 1 . . . . . . . . 1474 1 274 . 1 1 44 44 TYR HE2 H 1 6.95 . . 1 . . . . . . . . 1474 1 275 . 1 1 45 45 CYS H H 1 8.87 . . 1 . . . . . . . . 1474 1 276 . 1 1 45 45 CYS HA H 1 4.47 . . 1 . . . . . . . . 1474 1 277 . 1 1 45 45 CYS HB2 H 1 3.19 . . 2 . . . . . . . . 1474 1 278 . 1 1 45 45 CYS HB3 H 1 3.6 . . 2 . . . . . . . . 1474 1 stop_ save_