data_2575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2575 _Entry.Title ; Sequence-Specific 1H NMR Assignments and Secondary Structure of the Streptococcal Protein G B2-Domain ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _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 John Orban . . . 2575 2 Patrick Alexander . . . 2575 3 Philip Bryan . . . 2575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 352 2575 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 4 . . 2010-06-17 . revision BMRB 'Complete natural source information' 2575 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2575 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2575 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2575 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2575 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Orban, John, Alexander, Patrick, Bryan, Philip, "Sequence-Specific 1H NMR Assignments and Secondary Structure of the Streptococcal Protein G B2-Domain," Biochemistry 31 (14), 3604-3611 (1992). ; _Citation.Title ; Sequence-Specific 1H NMR Assignments and Secondary Structure of the Streptococcal Protein G B2-Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 14 _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 3604 _Citation.Page_last 3611 _Citation.Year 1992 _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 John Orban . . . 2575 1 2 Patrick Alexander . . . 2575 1 3 Philip Bryan . . . 2575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IgG_Fc_region-binding_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IgG_Fc_region-binding_protein _Assembly.Entry_ID 2575 _Assembly.ID 1 _Assembly.Name 'IgG Fc region-binding 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 'IgG Fc region-binding protein' 1 $IgG_Fc_region-binding_protein . . . . . . . . . 2575 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'IgG Fc region-binding protein' system 2575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IgG_Fc_region-binding_protein _Entity.Sf_category entity _Entity.Sf_framecode IgG_Fc_region-binding_protein _Entity.Entry_ID 2575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IgG Fc region-binding 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 ; MTYKLVINGKTLKGETTTKA VDAETAEKAFKQYANDNGVD GVWTYDDATKTFTVTE ; _Entity.Polymer_seq_one_letter_code ; MTYKLVINGKTLKGETTTKA VDAETAEKAFKQYANDNGVD GVWTYDDATKTFTVTE ; _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 56 _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 2015-11-25 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 BMRB 15283 . GB3 . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 2 no BMRB 18531 . GB3 . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 3 no BMRB 25807 . GB3 . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 4 no PDB 1IGC . "Igg1 Fab Fragment (Mopc21) Complex With Domain Iii Of Protein G From Streptococcus" . . . . . 98.21 61 100.00 100.00 1.29e-28 . . . . 2575 1 5 no PDB 1IGD . "The Third Igg-Binding Domain From Streptococcal Protein G: An Analysis By X-Ray Crystallography Of The Structure Alone And In A" . . . . . 98.21 61 100.00 100.00 1.29e-28 . . . . 2575 1 6 no PDB 1P7E . "Gb3 Solution Structure Obtained By Refinement Of X-Ray Structure With Dipolar Couplings" . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 7 no PDB 1P7F . "Gb3 Solution Structure Obtained By Refinement Of X-Ray Structure With Dipolar Couplings" . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 8 no PDB 1PGX . "The 1.66 Angstroms X-Ray Structure Of The B2 Immunoglobulin- Binding Domain Of Streptococcal Protein G And Comparison To The Nm" . . . . . 98.21 83 100.00 100.00 5.31e-29 . . . . 2575 1 9 no PDB 2IGD . "Anisotropic Structure Of Protein G Igg-Binding Domain Iii At 1.1 Angstrom Resolution" . . . . . 98.21 61 100.00 100.00 1.29e-28 . . . . 2575 1 10 no PDB 2IGH . "Determination Of The Solution Structures Of Domains Ii And Iii Of Protein G From Streptococcus By 1h Nmr" . . . . . 98.21 61 100.00 100.00 1.41e-28 . . . . 2575 1 11 no PDB 2LUM . "Three-State Ensemble Obtained From Enoes Of The Third Immunoglobulin Binding Domain Of Protein G (Gb3)" . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 12 no PDB 2N7J . "Sidechain Chi1 Distribution In B3 Domain Of Protein G From Extensive Sets Of Residual Dipolar Couplings" . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 13 no PDB 2NMQ . "Simultaneous Determination Of Protein Structure And Dynamics Using Rdcs" . . . . . 98.21 55 100.00 100.00 1.61e-28 . . . . 2575 1 14 no PDB 2OED . "Gb3 Solution Structure Obtained By Refinement Of X-Ray Structure With Dipolar Couplings" . . . . . 100.00 56 98.21 98.21 7.05e-29 . . . . 2575 1 15 no GB AAA26921 . "mag [Streptococcus dysgalactiae]" . . . . . 98.21 413 98.18 100.00 3.28e-27 . . . . 2575 1 16 no GB AAB27024 . "protein G IgG Fc binding domain [Streptococcus sp. CMCC 32138]" . . . . . 98.21 60 98.18 98.18 6.69e-28 . . . . 2575 1 17 no GB ABL60854 . "NTAP(GS) [Expression vector pCeMM-NTAP(GS)-Gw]" . . . . . 98.21 176 100.00 100.00 1.74e-27 . . . . 2575 1 18 no GB ABL60859 . "CTAP(SG) [Expression vector pCeMM-CTAP(SG)-Gw]" . . . . . 98.21 190 100.00 100.00 2.28e-27 . . . . 2575 1 19 no GB ABO76907 . "NTAP(GS) [Expression vector pCeMM-NTAP(GS)]" . . . . . 98.21 176 100.00 100.00 1.74e-27 . . . . 2575 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IgG Fc region-binding protein' common 2575 1 'protein G IgG-binding domain B2' variant 2575 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 . MET . 2575 1 2 . THR . 2575 1 3 . TYR . 2575 1 4 . LYS . 2575 1 5 . LEU . 2575 1 6 . VAL . 2575 1 7 . ILE . 2575 1 8 . ASN . 2575 1 9 . GLY . 2575 1 10 . LYS . 2575 1 11 . THR . 2575 1 12 . LEU . 2575 1 13 . LYS . 2575 1 14 . GLY . 2575 1 15 . GLU . 2575 1 16 . THR . 2575 1 17 . THR . 2575 1 18 . THR . 2575 1 19 . LYS . 2575 1 20 . ALA . 2575 1 21 . VAL . 2575 1 22 . ASP . 2575 1 23 . ALA . 2575 1 24 . GLU . 2575 1 25 . THR . 2575 1 26 . ALA . 2575 1 27 . GLU . 2575 1 28 . LYS . 2575 1 29 . ALA . 2575 1 30 . PHE . 2575 1 31 . LYS . 2575 1 32 . GLN . 2575 1 33 . TYR . 2575 1 34 . ALA . 2575 1 35 . ASN . 2575 1 36 . ASP . 2575 1 37 . ASN . 2575 1 38 . GLY . 2575 1 39 . VAL . 2575 1 40 . ASP . 2575 1 41 . GLY . 2575 1 42 . VAL . 2575 1 43 . TRP . 2575 1 44 . THR . 2575 1 45 . TYR . 2575 1 46 . ASP . 2575 1 47 . ASP . 2575 1 48 . ALA . 2575 1 49 . THR . 2575 1 50 . LYS . 2575 1 51 . THR . 2575 1 52 . PHE . 2575 1 53 . THR . 2575 1 54 . VAL . 2575 1 55 . THR . 2575 1 56 . GLU . 2575 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 2575 1 . THR 2 2 2575 1 . TYR 3 3 2575 1 . LYS 4 4 2575 1 . LEU 5 5 2575 1 . VAL 6 6 2575 1 . ILE 7 7 2575 1 . ASN 8 8 2575 1 . GLY 9 9 2575 1 . LYS 10 10 2575 1 . THR 11 11 2575 1 . LEU 12 12 2575 1 . LYS 13 13 2575 1 . GLY 14 14 2575 1 . GLU 15 15 2575 1 . THR 16 16 2575 1 . THR 17 17 2575 1 . THR 18 18 2575 1 . LYS 19 19 2575 1 . ALA 20 20 2575 1 . VAL 21 21 2575 1 . ASP 22 22 2575 1 . ALA 23 23 2575 1 . GLU 24 24 2575 1 . THR 25 25 2575 1 . ALA 26 26 2575 1 . GLU 27 27 2575 1 . LYS 28 28 2575 1 . ALA 29 29 2575 1 . PHE 30 30 2575 1 . LYS 31 31 2575 1 . GLN 32 32 2575 1 . TYR 33 33 2575 1 . ALA 34 34 2575 1 . ASN 35 35 2575 1 . ASP 36 36 2575 1 . ASN 37 37 2575 1 . GLY 38 38 2575 1 . VAL 39 39 2575 1 . ASP 40 40 2575 1 . GLY 41 41 2575 1 . VAL 42 42 2575 1 . TRP 43 43 2575 1 . THR 44 44 2575 1 . TYR 45 45 2575 1 . ASP 46 46 2575 1 . ASP 47 47 2575 1 . ALA 48 48 2575 1 . THR 49 49 2575 1 . LYS 50 50 2575 1 . THR 51 51 2575 1 . PHE 52 52 2575 1 . THR 53 53 2575 1 . VAL 54 54 2575 1 . THR 55 55 2575 1 . GLU 56 56 2575 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 2575 _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 $IgG_Fc_region-binding_protein . 1306 organism . 'Streptococcus sp.' . . . Bacteria . Streptococcus sp. G148 . . . . . . . . . . . . . . . . . . . . 2575 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 2575 _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 $IgG_Fc_region-binding_protein . 'not available' 'Escherichia coli' . . . Escherichia coli BL21-(DE3) . . . . . . . . . . . . . . . . . . . . . . 2575 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2575 _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 2575 _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 5.4 . na 2575 1 temperature 302 . K 2575 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 2575 _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 2575 _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' . . 2575 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 2575 _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 . . . . . . . . . . . . . . . . 2575 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 2575 _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 2575 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 2575 _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 . 2575 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 THR H H 1 8.39 . . 1 . . . . . . . . 2575 1 2 . 1 1 2 2 THR HA H 1 4.92 . . 1 . . . . . . . . 2575 1 3 . 1 1 2 2 THR HB H 1 3.96 . . 1 . . . . . . . . 2575 1 4 . 1 1 2 2 THR HG21 H 1 1.19 . . 1 . . . . . . . . 2575 1 5 . 1 1 2 2 THR HG22 H 1 1.19 . . 1 . . . . . . . . 2575 1 6 . 1 1 2 2 THR HG23 H 1 1.19 . . 1 . . . . . . . . 2575 1 7 . 1 1 3 3 TYR H H 1 9.15 . . 1 . . . . . . . . 2575 1 8 . 1 1 3 3 TYR HA H 1 5.31 . . 1 . . . . . . . . 2575 1 9 . 1 1 3 3 TYR HB2 H 1 2.74 . . 2 . . . . . . . . 2575 1 10 . 1 1 3 3 TYR HB3 H 1 3.39 . . 2 . . . . . . . . 2575 1 11 . 1 1 3 3 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 2575 1 12 . 1 1 3 3 TYR HD2 H 1 7.08 . . 1 . . . . . . . . 2575 1 13 . 1 1 3 3 TYR HE1 H 1 6.88 . . 1 . . . . . . . . 2575 1 14 . 1 1 3 3 TYR HE2 H 1 6.88 . . 1 . . . . . . . . 2575 1 15 . 1 1 4 4 LYS H H 1 9.07 . . 1 . . . . . . . . 2575 1 16 . 1 1 4 4 LYS HA H 1 5.22 . . 1 . . . . . . . . 2575 1 17 . 1 1 4 4 LYS HB2 H 1 2.01 . . 2 . . . . . . . . 2575 1 18 . 1 1 4 4 LYS HB3 H 1 1.87 . . 2 . . . . . . . . 2575 1 19 . 1 1 4 4 LYS HG2 H 1 1.45 . . 2 . . . . . . . . 2575 1 20 . 1 1 4 4 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 2575 1 21 . 1 1 5 5 LEU H H 1 8.64 . . 1 . . . . . . . . 2575 1 22 . 1 1 5 5 LEU HA H 1 4.96 . . 1 . . . . . . . . 2575 1 23 . 1 1 5 5 LEU HB2 H 1 1.16 . . 2 . . . . . . . . 2575 1 24 . 1 1 5 5 LEU HB3 H 1 .78 . . 2 . . . . . . . . 2575 1 25 . 1 1 5 5 LEU HG H 1 .84 . . 1 . . . . . . . . 2575 1 26 . 1 1 5 5 LEU HD11 H 1 .46 . . 2 . . . . . . . . 2575 1 27 . 1 1 5 5 LEU HD12 H 1 .46 . . 2 . . . . . . . . 2575 1 28 . 1 1 5 5 LEU HD13 H 1 .46 . . 2 . . . . . . . . 2575 1 29 . 1 1 5 5 LEU HD21 H 1 .5 . . 2 . . . . . . . . 2575 1 30 . 1 1 5 5 LEU HD22 H 1 .5 . . 2 . . . . . . . . 2575 1 31 . 1 1 5 5 LEU HD23 H 1 .5 . . 2 . . . . . . . . 2575 1 32 . 1 1 6 6 VAL H H 1 9.14 . . 1 . . . . . . . . 2575 1 33 . 1 1 6 6 VAL HA H 1 4.2 . . 1 . . . . . . . . 2575 1 34 . 1 1 6 6 VAL HB H 1 2.06 . . 1 . . . . . . . . 2575 1 35 . 1 1 6 6 VAL HG11 H 1 .83 . . 1 . . . . . . . . 2575 1 36 . 1 1 6 6 VAL HG12 H 1 .83 . . 1 . . . . . . . . 2575 1 37 . 1 1 6 6 VAL HG13 H 1 .83 . . 1 . . . . . . . . 2575 1 38 . 1 1 6 6 VAL HG21 H 1 .83 . . 1 . . . . . . . . 2575 1 39 . 1 1 6 6 VAL HG22 H 1 .83 . . 1 . . . . . . . . 2575 1 40 . 1 1 6 6 VAL HG23 H 1 .83 . . 1 . . . . . . . . 2575 1 41 . 1 1 7 7 ILE H H 1 8.76 . . 1 . . . . . . . . 2575 1 42 . 1 1 7 7 ILE HA H 1 4.1 . . 1 . . . . . . . . 2575 1 43 . 1 1 7 7 ILE HB H 1 1.55 . . 1 . . . . . . . . 2575 1 44 . 1 1 7 7 ILE HG12 H 1 .58 . . 2 . . . . . . . . 2575 1 45 . 1 1 7 7 ILE HG13 H 1 .75 . . 2 . . . . . . . . 2575 1 46 . 1 1 7 7 ILE HG21 H 1 .7 . . 1 . . . . . . . . 2575 1 47 . 1 1 7 7 ILE HG22 H 1 .7 . . 1 . . . . . . . . 2575 1 48 . 1 1 7 7 ILE HG23 H 1 .7 . . 1 . . . . . . . . 2575 1 49 . 1 1 7 7 ILE HD11 H 1 1.31 . . 1 . . . . . . . . 2575 1 50 . 1 1 7 7 ILE HD12 H 1 1.31 . . 1 . . . . . . . . 2575 1 51 . 1 1 7 7 ILE HD13 H 1 1.31 . . 1 . . . . . . . . 2575 1 52 . 1 1 8 8 ASN H H 1 8.96 . . 1 . . . . . . . . 2575 1 53 . 1 1 8 8 ASN HA H 1 5.26 . . 1 . . . . . . . . 2575 1 54 . 1 1 8 8 ASN HB2 H 1 2.52 . . 2 . . . . . . . . 2575 1 55 . 1 1 8 8 ASN HB3 H 1 2.95 . . 2 . . . . . . . . 2575 1 56 . 1 1 8 8 ASN HD21 H 1 6.76 . . 2 . . . . . . . . 2575 1 57 . 1 1 8 8 ASN HD22 H 1 7.16 . . 2 . . . . . . . . 2575 1 58 . 1 1 9 9 GLY H H 1 7.87 . . 1 . . . . . . . . 2575 1 59 . 1 1 9 9 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 2575 1 60 . 1 1 9 9 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 2575 1 61 . 1 1 10 10 LYS H H 1 9.34 . . 1 . . . . . . . . 2575 1 62 . 1 1 10 10 LYS HA H 1 4.07 . . 1 . . . . . . . . 2575 1 63 . 1 1 10 10 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 2575 1 64 . 1 1 10 10 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 2575 1 65 . 1 1 10 10 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 2575 1 66 . 1 1 10 10 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 2575 1 67 . 1 1 11 11 THR H H 1 8.71 . . 1 . . . . . . . . 2575 1 68 . 1 1 11 11 THR HA H 1 4.37 . . 1 . . . . . . . . 2575 1 69 . 1 1 11 11 THR HB H 1 4.19 . . 1 . . . . . . . . 2575 1 70 . 1 1 11 11 THR HG21 H 1 1.12 . . 1 . . . . . . . . 2575 1 71 . 1 1 11 11 THR HG22 H 1 1.12 . . 1 . . . . . . . . 2575 1 72 . 1 1 11 11 THR HG23 H 1 1.12 . . 1 . . . . . . . . 2575 1 73 . 1 1 12 12 LEU H H 1 7.55 . . 1 . . . . . . . . 2575 1 74 . 1 1 12 12 LEU HA H 1 4.42 . . 1 . . . . . . . . 2575 1 75 . 1 1 12 12 LEU HB2 H 1 1.37 . . 1 . . . . . . . . 2575 1 76 . 1 1 12 12 LEU HB3 H 1 1.37 . . 1 . . . . . . . . 2575 1 77 . 1 1 12 12 LEU HG H 1 1.34 . . 1 . . . . . . . . 2575 1 78 . 1 1 12 12 LEU HD11 H 1 .77 . . 2 . . . . . . . . 2575 1 79 . 1 1 12 12 LEU HD12 H 1 .77 . . 2 . . . . . . . . 2575 1 80 . 1 1 12 12 LEU HD13 H 1 .77 . . 2 . . . . . . . . 2575 1 81 . 1 1 12 12 LEU HD21 H 1 .87 . . 2 . . . . . . . . 2575 1 82 . 1 1 12 12 LEU HD22 H 1 .87 . . 2 . . . . . . . . 2575 1 83 . 1 1 12 12 LEU HD23 H 1 .87 . . 2 . . . . . . . . 2575 1 84 . 1 1 13 13 LYS H H 1 8.07 . . 1 . . . . . . . . 2575 1 85 . 1 1 13 13 LYS HA H 1 5.08 . . 1 . . . . . . . . 2575 1 86 . 1 1 13 13 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 2575 1 87 . 1 1 13 13 LYS HB3 H 1 1.73 . . 2 . . . . . . . . 2575 1 88 . 1 1 13 13 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 2575 1 89 . 1 1 13 13 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 2575 1 90 . 1 1 14 14 GLY H H 1 8.29 . . 1 . . . . . . . . 2575 1 91 . 1 1 14 14 GLY HA2 H 1 4.21 . . 2 . . . . . . . . 2575 1 92 . 1 1 14 14 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 2575 1 93 . 1 1 15 15 GLU H H 1 8.36 . . 1 . . . . . . . . 2575 1 94 . 1 1 15 15 GLU HA H 1 5.61 . . 1 . . . . . . . . 2575 1 95 . 1 1 15 15 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 2575 1 96 . 1 1 15 15 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 2575 1 97 . 1 1 15 15 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 2575 1 98 . 1 1 15 15 GLU HG3 H 1 2.18 . . 1 . . . . . . . . 2575 1 99 . 1 1 16 16 THR H H 1 8.8 . . 1 . . . . . . . . 2575 1 100 . 1 1 16 16 THR HA H 1 4.73 . . 1 . . . . . . . . 2575 1 101 . 1 1 16 16 THR HB H 1 3.95 . . 1 . . . . . . . . 2575 1 102 . 1 1 16 16 THR HG21 H 1 .5 . . 1 . . . . . . . . 2575 1 103 . 1 1 16 16 THR HG22 H 1 .5 . . 1 . . . . . . . . 2575 1 104 . 1 1 16 16 THR HG23 H 1 .5 . . 1 . . . . . . . . 2575 1 105 . 1 1 17 17 THR H H 1 8.13 . . 1 . . . . . . . . 2575 1 106 . 1 1 17 17 THR HA H 1 5.83 . . 1 . . . . . . . . 2575 1 107 . 1 1 17 17 THR HB H 1 4.29 . . 1 . . . . . . . . 2575 1 108 . 1 1 17 17 THR HG21 H 1 1.2 . . 1 . . . . . . . . 2575 1 109 . 1 1 17 17 THR HG22 H 1 1.2 . . 1 . . . . . . . . 2575 1 110 . 1 1 17 17 THR HG23 H 1 1.2 . . 1 . . . . . . . . 2575 1 111 . 1 1 18 18 THR H H 1 9.01 . . 1 . . . . . . . . 2575 1 112 . 1 1 18 18 THR HA H 1 4.65 . . 1 . . . . . . . . 2575 1 113 . 1 1 18 18 THR HB H 1 3.78 . . 1 . . . . . . . . 2575 1 114 . 1 1 18 18 THR HG21 H 1 .43 . . 1 . . . . . . . . 2575 1 115 . 1 1 18 18 THR HG22 H 1 .43 . . 1 . . . . . . . . 2575 1 116 . 1 1 18 18 THR HG23 H 1 .43 . . 1 . . . . . . . . 2575 1 117 . 1 1 19 19 LYS H H 1 7.94 . . 1 . . . . . . . . 2575 1 118 . 1 1 19 19 LYS HA H 1 5.39 . . 1 . . . . . . . . 2575 1 119 . 1 1 19 19 LYS HB2 H 1 1.7 . . 1 . . . . . . . . 2575 1 120 . 1 1 19 19 LYS HB3 H 1 1.7 . . 1 . . . . . . . . 2575 1 121 . 1 1 19 19 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 2575 1 122 . 1 1 19 19 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 2575 1 123 . 1 1 20 20 ALA H H 1 9.07 . . 1 . . . . . . . . 2575 1 124 . 1 1 20 20 ALA HA H 1 4.79 . . 1 . . . . . . . . 2575 1 125 . 1 1 20 20 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 2575 1 126 . 1 1 20 20 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 2575 1 127 . 1 1 20 20 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 2575 1 128 . 1 1 21 21 VAL H H 1 8.5 . . 1 . . . . . . . . 2575 1 129 . 1 1 21 21 VAL HA H 1 4.13 . . 1 . . . . . . . . 2575 1 130 . 1 1 21 21 VAL HB H 1 2.19 . . 1 . . . . . . . . 2575 1 131 . 1 1 21 21 VAL HG11 H 1 .98 . . 1 . . . . . . . . 2575 1 132 . 1 1 21 21 VAL HG12 H 1 .98 . . 1 . . . . . . . . 2575 1 133 . 1 1 21 21 VAL HG13 H 1 .98 . . 1 . . . . . . . . 2575 1 134 . 1 1 21 21 VAL HG21 H 1 .98 . . 1 . . . . . . . . 2575 1 135 . 1 1 21 21 VAL HG22 H 1 .98 . . 1 . . . . . . . . 2575 1 136 . 1 1 21 21 VAL HG23 H 1 .98 . . 1 . . . . . . . . 2575 1 137 . 1 1 22 22 ASP H H 1 7.32 . . 1 . . . . . . . . 2575 1 138 . 1 1 22 22 ASP HA H 1 4.73 . . 1 . . . . . . . . 2575 1 139 . 1 1 22 22 ASP HB2 H 1 2.93 . . 2 . . . . . . . . 2575 1 140 . 1 1 22 22 ASP HB3 H 1 3.08 . . 2 . . . . . . . . 2575 1 141 . 1 1 23 23 ALA H H 1 8.32 . . 1 . . . . . . . . 2575 1 142 . 1 1 23 23 ALA HA H 1 3.32 . . 1 . . . . . . . . 2575 1 143 . 1 1 23 23 ALA HB1 H 1 1.17 . . 1 . . . . . . . . 2575 1 144 . 1 1 23 23 ALA HB2 H 1 1.17 . . 1 . . . . . . . . 2575 1 145 . 1 1 23 23 ALA HB3 H 1 1.17 . . 1 . . . . . . . . 2575 1 146 . 1 1 24 24 GLU H H 1 8.35 . . 1 . . . . . . . . 2575 1 147 . 1 1 24 24 GLU HA H 1 3.86 . . 1 . . . . . . . . 2575 1 148 . 1 1 24 24 GLU HB2 H 1 1.82 . . 2 . . . . . . . . 2575 1 149 . 1 1 24 24 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 2575 1 150 . 1 1 24 24 GLU HG2 H 1 2.21 . . 1 . . . . . . . . 2575 1 151 . 1 1 24 24 GLU HG3 H 1 2.21 . . 1 . . . . . . . . 2575 1 152 . 1 1 25 25 THR H H 1 8.33 . . 1 . . . . . . . . 2575 1 153 . 1 1 25 25 THR HA H 1 3.67 . . 1 . . . . . . . . 2575 1 154 . 1 1 25 25 THR HB H 1 3.98 . . 1 . . . . . . . . 2575 1 155 . 1 1 25 25 THR HG21 H 1 1.22 . . 1 . . . . . . . . 2575 1 156 . 1 1 25 25 THR HG22 H 1 1.22 . . 1 . . . . . . . . 2575 1 157 . 1 1 25 25 THR HG23 H 1 1.22 . . 1 . . . . . . . . 2575 1 158 . 1 1 26 26 ALA H H 1 7.23 . . 1 . . . . . . . . 2575 1 159 . 1 1 26 26 ALA HA H 1 3.21 . . 1 . . . . . . . . 2575 1 160 . 1 1 26 26 ALA HB1 H 1 .52 . . 1 . . . . . . . . 2575 1 161 . 1 1 26 26 ALA HB2 H 1 .52 . . 1 . . . . . . . . 2575 1 162 . 1 1 26 26 ALA HB3 H 1 .52 . . 1 . . . . . . . . 2575 1 163 . 1 1 27 27 GLU H H 1 8.33 . . 1 . . . . . . . . 2575 1 164 . 1 1 27 27 GLU HA H 1 2.64 . . 1 . . . . . . . . 2575 1 165 . 1 1 27 27 GLU HB2 H 1 1.84 . . 2 . . . . . . . . 2575 1 166 . 1 1 27 27 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 2575 1 167 . 1 1 27 27 GLU HG2 H 1 1.59 . . 1 . . . . . . . . 2575 1 168 . 1 1 27 27 GLU HG3 H 1 1.59 . . 1 . . . . . . . . 2575 1 169 . 1 1 28 28 LYS H H 1 7.19 . . 1 . . . . . . . . 2575 1 170 . 1 1 28 28 LYS HA H 1 3.67 . . 1 . . . . . . . . 2575 1 171 . 1 1 28 28 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 2575 1 172 . 1 1 28 28 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 2575 1 173 . 1 1 28 28 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 2575 1 174 . 1 1 28 28 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 2575 1 175 . 1 1 29 29 ALA H H 1 7.19 . . 1 . . . . . . . . 2575 1 176 . 1 1 29 29 ALA HA H 1 4.1 . . 1 . . . . . . . . 2575 1 177 . 1 1 29 29 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 2575 1 178 . 1 1 29 29 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 2575 1 179 . 1 1 29 29 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 2575 1 180 . 1 1 30 30 PHE H H 1 8.57 . . 1 . . . . . . . . 2575 1 181 . 1 1 30 30 PHE HA H 1 4.78 . . 1 . . . . . . . . 2575 1 182 . 1 1 30 30 PHE HB2 H 1 2.84 . . 2 . . . . . . . . 2575 1 183 . 1 1 30 30 PHE HB3 H 1 3.35 . . 2 . . . . . . . . 2575 1 184 . 1 1 30 30 PHE HD1 H 1 6.57 . . 1 . . . . . . . . 2575 1 185 . 1 1 30 30 PHE HD2 H 1 6.57 . . 1 . . . . . . . . 2575 1 186 . 1 1 30 30 PHE HE1 H 1 7.07 . . 1 . . . . . . . . 2575 1 187 . 1 1 30 30 PHE HE2 H 1 7.07 . . 1 . . . . . . . . 2575 1 188 . 1 1 30 30 PHE HZ H 1 7.19 . . 1 . . . . . . . . 2575 1 189 . 1 1 31 31 LYS H H 1 9 . . 1 . . . . . . . . 2575 1 190 . 1 1 31 31 LYS HA H 1 4.1 . . 1 . . . . . . . . 2575 1 191 . 1 1 31 31 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 2575 1 192 . 1 1 31 31 LYS HB3 H 1 1.54 . . 2 . . . . . . . . 2575 1 193 . 1 1 31 31 LYS HG2 H 1 .43 . . 2 . . . . . . . . 2575 1 194 . 1 1 31 31 LYS HG3 H 1 .77 . . 2 . . . . . . . . 2575 1 195 . 1 1 31 31 LYS HD2 H 1 1.08 . . 2 . . . . . . . . 2575 1 196 . 1 1 31 31 LYS HD3 H 1 1.61 . . 2 . . . . . . . . 2575 1 197 . 1 1 32 32 GLN H H 1 7.48 . . 1 . . . . . . . . 2575 1 198 . 1 1 32 32 GLN HA H 1 4.03 . . 1 . . . . . . . . 2575 1 199 . 1 1 32 32 GLN HB2 H 1 2.19 . . 1 . . . . . . . . 2575 1 200 . 1 1 32 32 GLN HB3 H 1 2.19 . . 1 . . . . . . . . 2575 1 201 . 1 1 32 32 GLN HG2 H 1 2.4 . . 1 . . . . . . . . 2575 1 202 . 1 1 32 32 GLN HG3 H 1 2.4 . . 1 . . . . . . . . 2575 1 203 . 1 1 32 32 GLN HE21 H 1 6.84 . . 2 . . . . . . . . 2575 1 204 . 1 1 32 32 GLN HE22 H 1 7.82 . . 2 . . . . . . . . 2575 1 205 . 1 1 33 33 TYR H H 1 8.05 . . 1 . . . . . . . . 2575 1 206 . 1 1 33 33 TYR HA H 1 4.24 . . 1 . . . . . . . . 2575 1 207 . 1 1 33 33 TYR HB2 H 1 3.29 . . 1 . . . . . . . . 2575 1 208 . 1 1 33 33 TYR HB3 H 1 3.29 . . 1 . . . . . . . . 2575 1 209 . 1 1 33 33 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 2575 1 210 . 1 1 33 33 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 2575 1 211 . 1 1 33 33 TYR HE1 H 1 6.69 . . 1 . . . . . . . . 2575 1 212 . 1 1 33 33 TYR HE2 H 1 6.69 . . 1 . . . . . . . . 2575 1 213 . 1 1 34 34 ALA H H 1 9.2 . . 1 . . . . . . . . 2575 1 214 . 1 1 34 34 ALA HA H 1 3.77 . . 1 . . . . . . . . 2575 1 215 . 1 1 34 34 ALA HB1 H 1 1.81 . . 1 . . . . . . . . 2575 1 216 . 1 1 34 34 ALA HB2 H 1 1.81 . . 1 . . . . . . . . 2575 1 217 . 1 1 34 34 ALA HB3 H 1 1.81 . . 1 . . . . . . . . 2575 1 218 . 1 1 35 35 ASN H H 1 8.4 . . 1 . . . . . . . . 2575 1 219 . 1 1 35 35 ASN HA H 1 4.46 . . 1 . . . . . . . . 2575 1 220 . 1 1 35 35 ASN HB2 H 1 2.93 . . 1 . . . . . . . . 2575 1 221 . 1 1 35 35 ASN HB3 H 1 2.93 . . 1 . . . . . . . . 2575 1 222 . 1 1 35 35 ASN HD21 H 1 6.92 . . 2 . . . . . . . . 2575 1 223 . 1 1 35 35 ASN HD22 H 1 7.6 . . 2 . . . . . . . . 2575 1 224 . 1 1 36 36 ASP H H 1 8.74 . . 1 . . . . . . . . 2575 1 225 . 1 1 36 36 ASP HA H 1 4.37 . . 1 . . . . . . . . 2575 1 226 . 1 1 36 36 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 2575 1 227 . 1 1 36 36 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 2575 1 228 . 1 1 37 37 ASN H H 1 7.36 . . 1 . . . . . . . . 2575 1 229 . 1 1 37 37 ASN HA H 1 4.62 . . 1 . . . . . . . . 2575 1 230 . 1 1 37 37 ASN HB2 H 1 2.07 . . 2 . . . . . . . . 2575 1 231 . 1 1 37 37 ASN HB3 H 1 2.69 . . 2 . . . . . . . . 2575 1 232 . 1 1 37 37 ASN HD21 H 1 6.34 . . 2 . . . . . . . . 2575 1 233 . 1 1 37 37 ASN HD22 H 1 6.62 . . 2 . . . . . . . . 2575 1 234 . 1 1 38 38 GLY H H 1 7.77 . . 1 . . . . . . . . 2575 1 235 . 1 1 38 38 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 2575 1 236 . 1 1 38 38 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 2575 1 237 . 1 1 39 39 VAL H H 1 8.11 . . 1 . . . . . . . . 2575 1 238 . 1 1 39 39 VAL HA H 1 4.13 . . 1 . . . . . . . . 2575 1 239 . 1 1 39 39 VAL HB H 1 1.76 . . 1 . . . . . . . . 2575 1 240 . 1 1 39 39 VAL HG11 H 1 .65 . . 2 . . . . . . . . 2575 1 241 . 1 1 39 39 VAL HG12 H 1 .65 . . 2 . . . . . . . . 2575 1 242 . 1 1 39 39 VAL HG13 H 1 .65 . . 2 . . . . . . . . 2575 1 243 . 1 1 39 39 VAL HG21 H 1 .77 . . 2 . . . . . . . . 2575 1 244 . 1 1 39 39 VAL HG22 H 1 .77 . . 2 . . . . . . . . 2575 1 245 . 1 1 39 39 VAL HG23 H 1 .77 . . 2 . . . . . . . . 2575 1 246 . 1 1 40 40 ASP H H 1 8.61 . . 1 . . . . . . . . 2575 1 247 . 1 1 40 40 ASP HA H 1 4.88 . . 1 . . . . . . . . 2575 1 248 . 1 1 40 40 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 2575 1 249 . 1 1 40 40 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 2575 1 250 . 1 1 41 41 GLY H H 1 7.91 . . 1 . . . . . . . . 2575 1 251 . 1 1 41 41 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 2575 1 252 . 1 1 41 41 GLY HA3 H 1 4.29 . . 2 . . . . . . . . 2575 1 253 . 1 1 42 42 VAL H H 1 8.24 . . 1 . . . . . . . . 2575 1 254 . 1 1 42 42 VAL HA H 1 4.39 . . 1 . . . . . . . . 2575 1 255 . 1 1 42 42 VAL HB H 1 1.96 . . 1 . . . . . . . . 2575 1 256 . 1 1 42 42 VAL HG11 H 1 .98 . . 2 . . . . . . . . 2575 1 257 . 1 1 42 42 VAL HG12 H 1 .98 . . 2 . . . . . . . . 2575 1 258 . 1 1 42 42 VAL HG13 H 1 .98 . . 2 . . . . . . . . 2575 1 259 . 1 1 42 42 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 2575 1 260 . 1 1 42 42 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 2575 1 261 . 1 1 42 42 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 2575 1 262 . 1 1 43 43 TRP H H 1 9.27 . . 1 . . . . . . . . 2575 1 263 . 1 1 43 43 TRP HA H 1 5.34 . . 1 . . . . . . . . 2575 1 264 . 1 1 43 43 TRP HB2 H 1 3.3 . . 2 . . . . . . . . 2575 1 265 . 1 1 43 43 TRP HB3 H 1 3.15 . . 2 . . . . . . . . 2575 1 266 . 1 1 43 43 TRP HD1 H 1 7.51 . . 1 . . . . . . . . 2575 1 267 . 1 1 43 43 TRP HE1 H 1 10.45 . . 1 . . . . . . . . 2575 1 268 . 1 1 43 43 TRP HE3 H 1 7.55 . . 1 . . . . . . . . 2575 1 269 . 1 1 43 43 TRP HZ2 H 1 7.27 . . 1 . . . . . . . . 2575 1 270 . 1 1 43 43 TRP HZ3 H 1 6.6 . . 1 . . . . . . . . 2575 1 271 . 1 1 43 43 TRP HH2 H 1 6.71 . . 1 . . . . . . . . 2575 1 272 . 1 1 44 44 THR H H 1 9.36 . . 1 . . . . . . . . 2575 1 273 . 1 1 44 44 THR HA H 1 4.84 . . 1 . . . . . . . . 2575 1 274 . 1 1 44 44 THR HB H 1 4.26 . . 1 . . . . . . . . 2575 1 275 . 1 1 44 44 THR HG21 H 1 1.16 . . 1 . . . . . . . . 2575 1 276 . 1 1 44 44 THR HG22 H 1 1.16 . . 1 . . . . . . . . 2575 1 277 . 1 1 44 44 THR HG23 H 1 1.16 . . 1 . . . . . . . . 2575 1 278 . 1 1 45 45 TYR H H 1 8.55 . . 1 . . . . . . . . 2575 1 279 . 1 1 45 45 TYR HA H 1 4.97 . . 1 . . . . . . . . 2575 1 280 . 1 1 45 45 TYR HB2 H 1 2.49 . . 2 . . . . . . . . 2575 1 281 . 1 1 45 45 TYR HB3 H 1 2.87 . . 2 . . . . . . . . 2575 1 282 . 1 1 45 45 TYR HD1 H 1 5.91 . . 1 . . . . . . . . 2575 1 283 . 1 1 45 45 TYR HD2 H 1 5.91 . . 1 . . . . . . . . 2575 1 284 . 1 1 45 45 TYR HE1 H 1 6.33 . . 1 . . . . . . . . 2575 1 285 . 1 1 45 45 TYR HE2 H 1 6.33 . . 1 . . . . . . . . 2575 1 286 . 1 1 46 46 ASP H H 1 7.57 . . 1 . . . . . . . . 2575 1 287 . 1 1 46 46 ASP HA H 1 4.58 . . 1 . . . . . . . . 2575 1 288 . 1 1 46 46 ASP HB2 H 1 2.26 . . 2 . . . . . . . . 2575 1 289 . 1 1 46 46 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 2575 1 290 . 1 1 47 47 ASP H H 1 8.54 . . 1 . . . . . . . . 2575 1 291 . 1 1 47 47 ASP HA H 1 4.11 . . 1 . . . . . . . . 2575 1 292 . 1 1 47 47 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 2575 1 293 . 1 1 47 47 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 2575 1 294 . 1 1 48 48 ALA H H 1 8.29 . . 1 . . . . . . . . 2575 1 295 . 1 1 48 48 ALA HA H 1 4.1 . . 1 . . . . . . . . 2575 1 296 . 1 1 48 48 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 2575 1 297 . 1 1 48 48 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 2575 1 298 . 1 1 48 48 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 2575 1 299 . 1 1 49 49 THR H H 1 6.98 . . 1 . . . . . . . . 2575 1 300 . 1 1 49 49 THR HA H 1 4.38 . . 1 . . . . . . . . 2575 1 301 . 1 1 49 49 THR HB H 1 4.38 . . 1 . . . . . . . . 2575 1 302 . 1 1 49 49 THR HG21 H 1 1.06 . . 1 . . . . . . . . 2575 1 303 . 1 1 49 49 THR HG22 H 1 1.06 . . 1 . . . . . . . . 2575 1 304 . 1 1 49 49 THR HG23 H 1 1.06 . . 1 . . . . . . . . 2575 1 305 . 1 1 50 50 LYS H H 1 7.84 . . 1 . . . . . . . . 2575 1 306 . 1 1 50 50 LYS HA H 1 4.18 . . 1 . . . . . . . . 2575 1 307 . 1 1 50 50 LYS HB2 H 1 2.22 . . 2 . . . . . . . . 2575 1 308 . 1 1 50 50 LYS HB3 H 1 2.07 . . 2 . . . . . . . . 2575 1 309 . 1 1 50 50 LYS HG2 H 1 1.73 . . 1 . . . . . . . . 2575 1 310 . 1 1 50 50 LYS HG3 H 1 1.73 . . 1 . . . . . . . . 2575 1 311 . 1 1 51 51 THR H H 1 7.39 . . 1 . . . . . . . . 2575 1 312 . 1 1 51 51 THR HA H 1 5.45 . . 1 . . . . . . . . 2575 1 313 . 1 1 51 51 THR HB H 1 3.74 . . 1 . . . . . . . . 2575 1 314 . 1 1 51 51 THR HG21 H 1 .97 . . 1 . . . . . . . . 2575 1 315 . 1 1 51 51 THR HG22 H 1 .97 . . 1 . . . . . . . . 2575 1 316 . 1 1 51 51 THR HG23 H 1 .97 . . 1 . . . . . . . . 2575 1 317 . 1 1 52 52 PHE H H 1 10.36 . . 1 . . . . . . . . 2575 1 318 . 1 1 52 52 PHE HA H 1 5.63 . . 1 . . . . . . . . 2575 1 319 . 1 1 52 52 PHE HB2 H 1 3.2 . . 2 . . . . . . . . 2575 1 320 . 1 1 52 52 PHE HB3 H 1 3.25 . . 2 . . . . . . . . 2575 1 321 . 1 1 52 52 PHE HD1 H 1 7.75 . . 1 . . . . . . . . 2575 1 322 . 1 1 52 52 PHE HD2 H 1 7.75 . . 1 . . . . . . . . 2575 1 323 . 1 1 52 52 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 2575 1 324 . 1 1 52 52 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 2575 1 325 . 1 1 52 52 PHE HZ H 1 6.94 . . 1 . . . . . . . . 2575 1 326 . 1 1 53 53 THR H H 1 9.13 . . 1 . . . . . . . . 2575 1 327 . 1 1 53 53 THR HA H 1 5.27 . . 1 . . . . . . . . 2575 1 328 . 1 1 53 53 THR HB H 1 3.79 . . 1 . . . . . . . . 2575 1 329 . 1 1 53 53 THR HG21 H 1 .95 . . 1 . . . . . . . . 2575 1 330 . 1 1 53 53 THR HG22 H 1 .95 . . 1 . . . . . . . . 2575 1 331 . 1 1 53 53 THR HG23 H 1 .95 . . 1 . . . . . . . . 2575 1 332 . 1 1 54 54 VAL H H 1 8.27 . . 1 . . . . . . . . 2575 1 333 . 1 1 54 54 VAL HA H 1 4.47 . . 1 . . . . . . . . 2575 1 334 . 1 1 54 54 VAL HB H 1 -.29 . . 1 . . . . . . . . 2575 1 335 . 1 1 54 54 VAL HG11 H 1 .37 . . 2 . . . . . . . . 2575 1 336 . 1 1 54 54 VAL HG12 H 1 .37 . . 2 . . . . . . . . 2575 1 337 . 1 1 54 54 VAL HG13 H 1 .37 . . 2 . . . . . . . . 2575 1 338 . 1 1 54 54 VAL HG21 H 1 .34 . . 2 . . . . . . . . 2575 1 339 . 1 1 54 54 VAL HG22 H 1 .34 . . 2 . . . . . . . . 2575 1 340 . 1 1 54 54 VAL HG23 H 1 .34 . . 2 . . . . . . . . 2575 1 341 . 1 1 55 55 THR H H 1 8.33 . . 1 . . . . . . . . 2575 1 342 . 1 1 55 55 THR HA H 1 4.73 . . 1 . . . . . . . . 2575 1 343 . 1 1 55 55 THR HB H 1 3.8 . . 1 . . . . . . . . 2575 1 344 . 1 1 55 55 THR HG21 H 1 1.23 . . 1 . . . . . . . . 2575 1 345 . 1 1 55 55 THR HG22 H 1 1.23 . . 1 . . . . . . . . 2575 1 346 . 1 1 55 55 THR HG23 H 1 1.23 . . 1 . . . . . . . . 2575 1 347 . 1 1 56 56 GLU H H 1 7.88 . . 1 . . . . . . . . 2575 1 348 . 1 1 56 56 GLU HA H 1 4.3 . . 1 . . . . . . . . 2575 1 349 . 1 1 56 56 GLU HB2 H 1 1.95 . . 2 . . . . . . . . 2575 1 350 . 1 1 56 56 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 2575 1 351 . 1 1 56 56 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 2575 1 352 . 1 1 56 56 GLU HG3 H 1 2.31 . . 1 . . . . . . . . 2575 1 stop_ save_