data_7327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7327 _Entry.Title ; Homonuclear NMR Assignment of the Pheromone En-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-06 _Entry.Accession_date 2006-11-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 William Placzek . J. . 7327 2 Touraj Etezady-Esfarjani . . . 7327 3 Torsten Herrmann . . . 7327 4 Wolfgang Peti . . . 7327 5 Kurt Wuthrich . . . 7327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 66 7327 '1H chemical shifts' 323 7327 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-11-06 update BMRB 'complete entry citation' 7327 1 . . 2007-09-17 2006-11-06 original author 'original release' 7327 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NSW 'BMRB Entry Tracking System' 7327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17701553 _Citation.Full_citation . _Citation.Title ; Cold-adapted signal proteins: NMR structures of pheromones from the Antarctic ciliate Euplotes nobilii. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'IUBMB Life' _Citation.Journal_name_full . _Citation.Journal_volume 59 _Citation.Journal_issue 8-9 _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 578 _Citation.Page_last 585 _Citation.Year 2007 _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 William Placzek . J. . 7327 1 2 Touraj Etezady-Esfarjani . . . 7327 1 3 Torsten Herrmann . . . 7327 1 4 Bill Pedrini . . . 7327 1 5 Wolfgang Peti . . . 7327 1 6 Claudio Alimenti . . . 7327 1 7 Pierangelo Luporini . . . 7327 1 8 Kurt Wuthrich . . . 7327 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'disulfide-bond identification' 7327 1 'Euplotes nobilii pheromone' 7327 1 'mating-type recognition' 7327 1 'NMR structure' 7327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7327 _Assembly.ID 1 _Assembly.Name En-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7327 1 stop_ 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 'En-2 monomer' 1 $En-2 . . yes native no no . . . 7327 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . 7327 1 2 disulfide SING . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . 7327 1 3 disulfide SING . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 7327 1 4 disulfide SING . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . 7327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_En-2 _Entity.Sf_category entity _Entity.Sf_framecode En-2 _Entity.Entry_ID 7327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name En-2 _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 . _Entity.Polymer_seq_one_letter_code ; DIEDFYTSETCPYKNDSQLA WDTCSGGTGNCGTVCCGQCF SFPVSQSCAGMADSNDCPNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 2NSW . "Nmr Solution Structure Of The Pheromone En-2" . . . . . 100.00 60 100.00 100.00 1.72e-34 . . . . 7327 1 2 no GB ACQ66089 . "En-2 pheromone precursor [Euplotes nobilii]" . . . . . 100.00 91 100.00 100.00 7.76e-36 . . . . 7327 1 3 no SP P83235 . "RecName: Full=Mating pheromone En-2 [Euplotes nobilii]" . . . . . 100.00 60 100.00 100.00 1.72e-34 . . . . 7327 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 . ASP . 7327 1 2 . ILE . 7327 1 3 . GLU . 7327 1 4 . ASP . 7327 1 5 . PHE . 7327 1 6 . TYR . 7327 1 7 . THR . 7327 1 8 . SER . 7327 1 9 . GLU . 7327 1 10 . THR . 7327 1 11 . CYS . 7327 1 12 . PRO . 7327 1 13 . TYR . 7327 1 14 . LYS . 7327 1 15 . ASN . 7327 1 16 . ASP . 7327 1 17 . SER . 7327 1 18 . GLN . 7327 1 19 . LEU . 7327 1 20 . ALA . 7327 1 21 . TRP . 7327 1 22 . ASP . 7327 1 23 . THR . 7327 1 24 . CYS . 7327 1 25 . SER . 7327 1 26 . GLY . 7327 1 27 . GLY . 7327 1 28 . THR . 7327 1 29 . GLY . 7327 1 30 . ASN . 7327 1 31 . CYS . 7327 1 32 . GLY . 7327 1 33 . THR . 7327 1 34 . VAL . 7327 1 35 . CYS . 7327 1 36 . CYS . 7327 1 37 . GLY . 7327 1 38 . GLN . 7327 1 39 . CYS . 7327 1 40 . PHE . 7327 1 41 . SER . 7327 1 42 . PHE . 7327 1 43 . PRO . 7327 1 44 . VAL . 7327 1 45 . SER . 7327 1 46 . GLN . 7327 1 47 . SER . 7327 1 48 . CYS . 7327 1 49 . ALA . 7327 1 50 . GLY . 7327 1 51 . MET . 7327 1 52 . ALA . 7327 1 53 . ASP . 7327 1 54 . SER . 7327 1 55 . ASN . 7327 1 56 . ASP . 7327 1 57 . CYS . 7327 1 58 . PRO . 7327 1 59 . ASN . 7327 1 60 . ALA . 7327 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 7327 1 . ILE 2 2 7327 1 . GLU 3 3 7327 1 . ASP 4 4 7327 1 . PHE 5 5 7327 1 . TYR 6 6 7327 1 . THR 7 7 7327 1 . SER 8 8 7327 1 . GLU 9 9 7327 1 . THR 10 10 7327 1 . CYS 11 11 7327 1 . PRO 12 12 7327 1 . TYR 13 13 7327 1 . LYS 14 14 7327 1 . ASN 15 15 7327 1 . ASP 16 16 7327 1 . SER 17 17 7327 1 . GLN 18 18 7327 1 . LEU 19 19 7327 1 . ALA 20 20 7327 1 . TRP 21 21 7327 1 . ASP 22 22 7327 1 . THR 23 23 7327 1 . CYS 24 24 7327 1 . SER 25 25 7327 1 . GLY 26 26 7327 1 . GLY 27 27 7327 1 . THR 28 28 7327 1 . GLY 29 29 7327 1 . ASN 30 30 7327 1 . CYS 31 31 7327 1 . GLY 32 32 7327 1 . THR 33 33 7327 1 . VAL 34 34 7327 1 . CYS 35 35 7327 1 . CYS 36 36 7327 1 . GLY 37 37 7327 1 . GLN 38 38 7327 1 . CYS 39 39 7327 1 . PHE 40 40 7327 1 . SER 41 41 7327 1 . PHE 42 42 7327 1 . PRO 43 43 7327 1 . VAL 44 44 7327 1 . SER 45 45 7327 1 . GLN 46 46 7327 1 . SER 47 47 7327 1 . CYS 48 48 7327 1 . ALA 49 49 7327 1 . GLY 50 50 7327 1 . MET 51 51 7327 1 . ALA 52 52 7327 1 . ASP 53 53 7327 1 . SER 54 54 7327 1 . ASN 55 55 7327 1 . ASP 56 56 7327 1 . CYS 57 57 7327 1 . PRO 58 58 7327 1 . ASN 59 59 7327 1 . ALA 60 60 7327 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 7327 _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 $En-2 . 184062 . yes . 'Euplotes nobilii' . . Eukaryota Alveolata Euplotes nobilii . . . . . . . . . . . . . . . . . . . . . 7327 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 7327 _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 $En-2 . 'Purified from the natural source' . 'Euplotes nobilii' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Sodium Phosphate buffer pH 6.0, 0.9 mM en-2' _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 En-2 . . . 1 $En-2 . protein 0.9 . . mM 0.05 . . . 7327 1 2 'Sodium Phosphate' . . . . . . buffer 20 . . mM . . . . 7327 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7327 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 1 mM 7327 1 pH 6.0 0.1 pH 7327 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_900MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900MHz_spectrometer _NMR_spectrometer.Entry_ID 7327 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7327 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7327 1 2 '2D COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7327 1 3 '2D natural abundance [13C, 1H]- HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7327 1 4 '2D NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7327 1 stop_ save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 7327 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_COSY _NMR_spec_expt.Entry_ID 7327 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_natural_abundance_13C_1H-_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_natural_abundance_13C_1H-_HSQC _NMR_spec_expt.Entry_ID 7327 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D natural abundance [13C, 1H]- HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 7327 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7327 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7327 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7327 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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_1 isotropic 7327 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 ILE H H 1 8.383 0.002 . . . . . . 2 ILE HN . 7327 1 2 . 1 1 2 2 ILE HA H 1 3.974 0.002 . . . . . . 2 ILE HA . 7327 1 3 . 1 1 2 2 ILE HB H 1 1.709 0.002 . . . . . . 2 ILE HB . 7327 1 4 . 1 1 2 2 ILE HG12 H 1 1.178 0.002 . . . . . . 2 ILE HG12 . 7327 1 5 . 1 1 2 2 ILE HG13 H 1 0.769 0.002 . . . . . . 2 ILE HG13 . 7327 1 6 . 1 1 2 2 ILE HG21 H 1 0.413 0.002 . . . . . . 2 ILE HG2 . 7327 1 7 . 1 1 2 2 ILE HG22 H 1 0.413 0.002 . . . . . . 2 ILE HG2 . 7327 1 8 . 1 1 2 2 ILE HG23 H 1 0.413 0.002 . . . . . . 2 ILE HG2 . 7327 1 9 . 1 1 2 2 ILE HD11 H 1 0.209 0.002 . . . . . . 2 ILE HD1 . 7327 1 10 . 1 1 2 2 ILE HD12 H 1 0.209 0.002 . . . . . . 2 ILE HD1 . 7327 1 11 . 1 1 2 2 ILE HD13 H 1 0.209 0.002 . . . . . . 2 ILE HD1 . 7327 1 12 . 1 1 2 2 ILE CA C 13 65.264 0.200 . . . . . . 2 ILE CA . 7327 1 13 . 1 1 2 2 ILE CG2 C 13 17.996 0.200 . . . . . . 2 ILE CG2 . 7327 1 14 . 1 1 2 2 ILE CD1 C 13 12.980 0.200 . . . . . . 2 ILE CD1 . 7327 1 15 . 1 1 3 3 GLU H H 1 8.784 0.002 . . . . . . 3 GLU HN . 7327 1 16 . 1 1 3 3 GLU HA H 1 4.114 0.002 . . . . . . 3 GLU HA . 7327 1 17 . 1 1 3 3 GLU HB2 H 1 2.171 0.002 . . . . . . 3 GLU HB2 . 7327 1 18 . 1 1 3 3 GLU HB3 H 1 2.043 0.002 . . . . . . 3 GLU HB3 . 7327 1 19 . 1 1 3 3 GLU HG2 H 1 2.425 0.002 . . . . . . 3 GLU HG2 . 7327 1 20 . 1 1 3 3 GLU HG3 H 1 2.382 0.002 . . . . . . 3 GLU HG3 . 7327 1 21 . 1 1 3 3 GLU CA C 13 59.568 0.200 . . . . . . 3 GLU CA . 7327 1 22 . 1 1 4 4 ASP H H 1 7.833 0.002 . . . . . . 4 ASP HN . 7327 1 23 . 1 1 4 4 ASP HA H 1 4.404 0.002 . . . . . . 4 ASP HA . 7327 1 24 . 1 1 4 4 ASP HB2 H 1 2.601 0.002 . . . . . . 4 ASP HB2 . 7327 1 25 . 1 1 4 4 ASP HB3 H 1 2.357 0.002 . . . . . . 4 ASP HB3 . 7327 1 26 . 1 1 4 4 ASP CA C 13 56.021 0.200 . . . . . . 4 ASP CA . 7327 1 27 . 1 1 5 5 PHE H H 1 8.004 0.002 . . . . . . 5 PHE HN . 7327 1 28 . 1 1 5 5 PHE HA H 1 4.693 0.002 . . . . . . 5 PHE HA . 7327 1 29 . 1 1 5 5 PHE HB2 H 1 3.882 0.002 . . . . . . 5 PHE HB2 . 7327 1 30 . 1 1 5 5 PHE HB3 H 1 2.889 0.002 . . . . . . 5 PHE HB3 . 7327 1 31 . 1 1 5 5 PHE HD1 H 1 7.364 0.002 . . . . . . 5 PHE HD . 7327 1 32 . 1 1 5 5 PHE HD2 H 1 7.364 0.002 . . . . . . 5 PHE HD . 7327 1 33 . 1 1 5 5 PHE HE1 H 1 7.443 0.002 . . . . . . 5 PHE HE . 7327 1 34 . 1 1 5 5 PHE HE2 H 1 7.443 0.002 . . . . . . 5 PHE HE . 7327 1 35 . 1 1 5 5 PHE HZ H 1 7.321 0.002 . . . . . . 5 PHE HZ . 7327 1 36 . 1 1 6 6 TYR H H 1 7.430 0.002 . . . . . . 6 TYR HN . 7327 1 37 . 1 1 6 6 TYR HA H 1 5.212 0.002 . . . . . . 6 TYR HA . 7327 1 38 . 1 1 6 6 TYR HB2 H 1 3.384 0.002 . . . . . . 6 TYR HB2 . 7327 1 39 . 1 1 6 6 TYR HB3 H 1 3.233 0.002 . . . . . . 6 TYR HB3 . 7327 1 40 . 1 1 6 6 TYR HD1 H 1 7.223 0.002 . . . . . . 6 TYR HD . 7327 1 41 . 1 1 6 6 TYR HD2 H 1 7.223 0.002 . . . . . . 6 TYR HD . 7327 1 42 . 1 1 6 6 TYR HE1 H 1 6.872 0.002 . . . . . . 6 TYR HE . 7327 1 43 . 1 1 6 6 TYR HE2 H 1 6.872 0.002 . . . . . . 6 TYR HE . 7327 1 44 . 1 1 6 6 TYR CA C 13 55.401 0.200 . . . . . . 6 TYR CA . 7327 1 45 . 1 1 7 7 THR H H 1 8.639 0.002 . . . . . . 7 THR HN . 7327 1 46 . 1 1 7 7 THR HA H 1 4.271 0.002 . . . . . . 7 THR HA . 7327 1 47 . 1 1 7 7 THR HB H 1 4.113 0.002 . . . . . . 7 THR HB . 7327 1 48 . 1 1 7 7 THR HG21 H 1 0.947 0.002 . . . . . . 7 THR HG2 . 7327 1 49 . 1 1 7 7 THR HG22 H 1 0.947 0.002 . . . . . . 7 THR HG2 . 7327 1 50 . 1 1 7 7 THR HG23 H 1 0.947 0.002 . . . . . . 7 THR HG2 . 7327 1 51 . 1 1 7 7 THR CA C 13 57.467 0.200 . . . . . . 7 THR CA . 7327 1 52 . 1 1 7 7 THR CG2 C 13 20.362 0.200 . . . . . . 7 THR CG2 . 7327 1 53 . 1 1 8 8 SER H H 1 7.667 0.002 . . . . . . 8 SER HN . 7327 1 54 . 1 1 8 8 SER HA H 1 3.241 0.002 . . . . . . 8 SER HA . 7327 1 55 . 1 1 8 8 SER HB2 H 1 3.566 0.002 . . . . . . 8 SER HB . 7327 1 56 . 1 1 8 8 SER HB3 H 1 3.566 0.002 . . . . . . 8 SER HB . 7327 1 57 . 1 1 8 8 SER CA C 13 61.114 0.200 . . . . . . 8 SER CA . 7327 1 58 . 1 1 9 9 GLU H H 1 8.688 0.002 . . . . . . 9 GLU HN . 7327 1 59 . 1 1 9 9 GLU HA H 1 3.904 0.002 . . . . . . 9 GLU HA . 7327 1 60 . 1 1 9 9 GLU HB2 H 1 2.012 0.002 . . . . . . 9 GLU HB2 . 7327 1 61 . 1 1 9 9 GLU HB3 H 1 1.897 0.002 . . . . . . 9 GLU HB3 . 7327 1 62 . 1 1 9 9 GLU HG2 H 1 2.271 0.002 . . . . . . 9 GLU HG . 7327 1 63 . 1 1 9 9 GLU HG3 H 1 2.271 0.002 . . . . . . 9 GLU HG . 7327 1 64 . 1 1 9 9 GLU CA C 13 59.418 0.200 . . . . . . 9 GLU CA . 7327 1 65 . 1 1 10 10 THR H H 1 6.845 0.002 . . . . . . 10 THR HN . 7327 1 66 . 1 1 10 10 THR HA H 1 5.740 0.002 . . . . . . 10 THR HA . 7327 1 67 . 1 1 10 10 THR HB H 1 4.575 0.002 . . . . . . 10 THR HB . 7327 1 68 . 1 1 10 10 THR HG21 H 1 1.110 0.002 . . . . . . 10 THR HG2 . 7327 1 69 . 1 1 10 10 THR HG22 H 1 1.110 0.002 . . . . . . 10 THR HG2 . 7327 1 70 . 1 1 10 10 THR HG23 H 1 1.110 0.002 . . . . . . 10 THR HG2 . 7327 1 71 . 1 1 10 10 THR CG2 C 13 21.494 0.200 . . . . . . 10 THR CG2 . 7327 1 72 . 1 1 11 11 CYS H H 1 7.405 0.002 . . . . . . 11 CYS HN . 7327 1 73 . 1 1 11 11 CYS HA H 1 4.654 0.002 . . . . . . 11 CYS HA . 7327 1 74 . 1 1 11 11 CYS HB2 H 1 3.574 0.002 . . . . . . 11 CYS HB2 . 7327 1 75 . 1 1 11 11 CYS HB3 H 1 2.921 0.002 . . . . . . 11 CYS HB3 . 7327 1 76 . 1 1 12 12 PRO HA H 1 4.067 0.002 . . . . . . 12 PRO HA . 7327 1 77 . 1 1 12 12 PRO HB2 H 1 0.522 0.002 . . . . . . 12 PRO HB2 . 7327 1 78 . 1 1 12 12 PRO HB3 H 1 2.001 0.002 . . . . . . 12 PRO HB3 . 7327 1 79 . 1 1 12 12 PRO HG2 H 1 1.825 0.002 . . . . . . 12 PRO HG2 . 7327 1 80 . 1 1 12 12 PRO HG3 H 1 1.650 0.002 . . . . . . 12 PRO HG3 . 7327 1 81 . 1 1 12 12 PRO HD2 H 1 3.897 0.002 . . . . . . 12 PRO HD2 . 7327 1 82 . 1 1 12 12 PRO HD3 H 1 3.506 0.002 . . . . . . 12 PRO HD3 . 7327 1 83 . 1 1 13 13 TYR H H 1 6.985 0.002 . . . . . . 13 TYR HN . 7327 1 84 . 1 1 13 13 TYR HA H 1 4.633 0.002 . . . . . . 13 TYR HA . 7327 1 85 . 1 1 13 13 TYR HB2 H 1 2.986 0.002 . . . . . . 13 TYR HB2 . 7327 1 86 . 1 1 13 13 TYR HB3 H 1 2.872 0.002 . . . . . . 13 TYR HB3 . 7327 1 87 . 1 1 13 13 TYR HD1 H 1 7.043 0.002 . . . . . . 13 TYR HD . 7327 1 88 . 1 1 13 13 TYR HD2 H 1 7.043 0.002 . . . . . . 13 TYR HD . 7327 1 89 . 1 1 13 13 TYR HE1 H 1 6.858 0.002 . . . . . . 13 TYR HE . 7327 1 90 . 1 1 13 13 TYR HE2 H 1 6.858 0.002 . . . . . . 13 TYR HE . 7327 1 91 . 1 1 14 14 LYS H H 1 8.618 0.002 . . . . . . 14 LYS HN . 7327 1 92 . 1 1 14 14 LYS HA H 1 4.449 0.002 . . . . . . 14 LYS HA . 7327 1 93 . 1 1 14 14 LYS HB2 H 1 1.721 0.002 . . . . . . 14 LYS HB . 7327 1 94 . 1 1 14 14 LYS HB3 H 1 1.721 0.002 . . . . . . 14 LYS HB . 7327 1 95 . 1 1 14 14 LYS HG2 H 1 1.293 0.002 . . . . . . 14 LYS HG . 7327 1 96 . 1 1 14 14 LYS HG3 H 1 1.293 0.002 . . . . . . 14 LYS HG . 7327 1 97 . 1 1 14 14 LYS HD2 H 1 1.538 0.002 . . . . . . 14 LYS HD2 . 7327 1 98 . 1 1 14 14 LYS HD3 H 1 1.440 0.002 . . . . . . 14 LYS HD3 . 7327 1 99 . 1 1 14 14 LYS HE2 H 1 2.931 0.002 . . . . . . 14 LYS HE2 . 7327 1 100 . 1 1 14 14 LYS HE3 H 1 2.851 0.002 . . . . . . 14 LYS HE3 . 7327 1 101 . 1 1 14 14 LYS CA C 13 55.418 0.200 . . . . . . 14 LYS CA . 7327 1 102 . 1 1 15 15 ASN H H 1 8.799 0.002 . . . . . . 15 ASN HN . 7327 1 103 . 1 1 15 15 ASN HA H 1 4.580 0.002 . . . . . . 15 ASN HA . 7327 1 104 . 1 1 15 15 ASN HB2 H 1 3.080 0.002 . . . . . . 15 ASN HB2 . 7327 1 105 . 1 1 15 15 ASN HB3 H 1 2.831 0.002 . . . . . . 15 ASN HB3 . 7327 1 106 . 1 1 16 16 ASP H H 1 8.435 0.002 . . . . . . 16 ASP HN . 7327 1 107 . 1 1 16 16 ASP HA H 1 4.578 0.002 . . . . . . 16 ASP HA . 7327 1 108 . 1 1 16 16 ASP HB2 H 1 2.731 0.002 . . . . . . 16 ASP HB2 . 7327 1 109 . 1 1 16 16 ASP HB3 H 1 2.519 0.002 . . . . . . 16 ASP HB3 . 7327 1 110 . 1 1 16 16 ASP CA C 13 55.276 0.200 . . . . . . 16 ASP CA . 7327 1 111 . 1 1 17 17 SER H H 1 8.711 0.002 . . . . . . 17 SER HN . 7327 1 112 . 1 1 17 17 SER HA H 1 2.589 0.002 . . . . . . 17 SER HA . 7327 1 113 . 1 1 17 17 SER HB2 H 1 3.424 0.002 . . . . . . 17 SER HB2 . 7327 1 114 . 1 1 17 17 SER HB3 H 1 3.358 0.002 . . . . . . 17 SER HB3 . 7327 1 115 . 1 1 17 17 SER CA C 13 60.757 0.200 . . . . . . 17 SER CA . 7327 1 116 . 1 1 18 18 GLN H H 1 8.002 0.002 . . . . . . 18 GLN HN . 7327 1 117 . 1 1 18 18 GLN HA H 1 3.946 0.002 . . . . . . 18 GLN HA . 7327 1 118 . 1 1 18 18 GLN HB2 H 1 2.119 0.002 . . . . . . 18 GLN HB . 7327 1 119 . 1 1 18 18 GLN HB3 H 1 2.119 0.002 . . . . . . 18 GLN HB . 7327 1 120 . 1 1 18 18 GLN HG2 H 1 2.410 0.002 . . . . . . 18 GLN HG2 . 7327 1 121 . 1 1 18 18 GLN HG3 H 1 2.360 0.002 . . . . . . 18 GLN HG3 . 7327 1 122 . 1 1 18 18 GLN CA C 13 58.142 0.200 . . . . . . 18 GLN CA . 7327 1 123 . 1 1 19 19 LEU H H 1 7.761 0.002 . . . . . . 19 LEU HN . 7327 1 124 . 1 1 19 19 LEU HA H 1 4.150 0.002 . . . . . . 19 LEU HA . 7327 1 125 . 1 1 19 19 LEU HB2 H 1 1.567 0.002 . . . . . . 19 LEU HB2 . 7327 1 126 . 1 1 19 19 LEU HB3 H 1 1.497 0.002 . . . . . . 19 LEU HB3 . 7327 1 127 . 1 1 19 19 LEU HG H 1 1.074 0.002 . . . . . . 19 LEU HG . 7327 1 128 . 1 1 19 19 LEU HD11 H 1 0.970 0.002 . . . . . . 19 LEU HD1 . 7327 1 129 . 1 1 19 19 LEU HD12 H 1 0.970 0.002 . . . . . . 19 LEU HD1 . 7327 1 130 . 1 1 19 19 LEU HD13 H 1 0.970 0.002 . . . . . . 19 LEU HD1 . 7327 1 131 . 1 1 19 19 LEU HD21 H 1 0.765 0.002 . . . . . . 19 LEU HD2 . 7327 1 132 . 1 1 19 19 LEU HD22 H 1 0.765 0.002 . . . . . . 19 LEU HD2 . 7327 1 133 . 1 1 19 19 LEU HD23 H 1 0.765 0.002 . . . . . . 19 LEU HD2 . 7327 1 134 . 1 1 19 19 LEU CA C 13 58.212 0.200 . . . . . . 19 LEU CA . 7327 1 135 . 1 1 19 19 LEU CD1 C 13 25.937 0.200 . . . . . . 19 LEU CD1 . 7327 1 136 . 1 1 19 19 LEU CD2 C 13 22.609 0.200 . . . . . . 19 LEU CD2 . 7327 1 137 . 1 1 20 20 ALA H H 1 7.978 0.002 . . . . . . 20 ALA HN . 7327 1 138 . 1 1 20 20 ALA HA H 1 4.062 0.002 . . . . . . 20 ALA HA . 7327 1 139 . 1 1 20 20 ALA HB1 H 1 1.857 0.002 . . . . . . 20 ALA HB . 7327 1 140 . 1 1 20 20 ALA HB2 H 1 1.857 0.002 . . . . . . 20 ALA HB . 7327 1 141 . 1 1 20 20 ALA HB3 H 1 1.857 0.002 . . . . . . 20 ALA HB . 7327 1 142 . 1 1 20 20 ALA CA C 13 55.081 0.200 . . . . . . 20 ALA CA . 7327 1 143 . 1 1 20 20 ALA CB C 13 19.904 0.200 . . . . . . 20 ALA CB . 7327 1 144 . 1 1 21 21 TRP H H 1 8.920 0.002 . . . . . . 21 TRP HN . 7327 1 145 . 1 1 21 21 TRP HA H 1 4.091 0.002 . . . . . . 21 TRP HA . 7327 1 146 . 1 1 21 21 TRP HB2 H 1 3.296 0.002 . . . . . . 21 TRP HB2 . 7327 1 147 . 1 1 21 21 TRP HB3 H 1 3.260 0.002 . . . . . . 21 TRP HB3 . 7327 1 148 . 1 1 21 21 TRP HD1 H 1 7.279 0.002 . . . . . . 21 TRP HD1 . 7327 1 149 . 1 1 21 21 TRP HE1 H 1 9.827 0.002 . . . . . . 21 TRP HE1 . 7327 1 150 . 1 1 21 21 TRP HE3 H 1 6.245 0.002 . . . . . . 21 TRP HE3 . 7327 1 151 . 1 1 21 21 TRP HZ2 H 1 7.272 0.002 . . . . . . 21 TRP HZ2 . 7327 1 152 . 1 1 21 21 TRP HZ3 H 1 6.323 0.002 . . . . . . 21 TRP HZ3 . 7327 1 153 . 1 1 21 21 TRP HH2 H 1 6.662 0.002 . . . . . . 21 TRP HH2 . 7327 1 154 . 1 1 21 21 TRP CA C 13 57.517 0.200 . . . . . . 21 TRP CA . 7327 1 155 . 1 1 22 22 ASP H H 1 9.388 0.002 . . . . . . 22 ASP HN . 7327 1 156 . 1 1 22 22 ASP HA H 1 3.975 0.002 . . . . . . 22 ASP HA . 7327 1 157 . 1 1 22 22 ASP HB2 H 1 2.700 0.002 . . . . . . 22 ASP HB2 . 7327 1 158 . 1 1 22 22 ASP HB3 H 1 2.555 0.002 . . . . . . 22 ASP HB3 . 7327 1 159 . 1 1 22 22 ASP CA C 13 57.283 0.200 . . . . . . 22 ASP CA . 7327 1 160 . 1 1 23 23 THR H H 1 7.980 0.002 . . . . . . 23 THR HN . 7327 1 161 . 1 1 23 23 THR HA H 1 3.763 0.002 . . . . . . 23 THR HA . 7327 1 162 . 1 1 23 23 THR HB H 1 3.547 0.002 . . . . . . 23 THR HB . 7327 1 163 . 1 1 23 23 THR HG21 H 1 0.940 0.002 . . . . . . 23 THR HG2 . 7327 1 164 . 1 1 23 23 THR HG22 H 1 0.940 0.002 . . . . . . 23 THR HG2 . 7327 1 165 . 1 1 23 23 THR HG23 H 1 0.940 0.002 . . . . . . 23 THR HG2 . 7327 1 166 . 1 1 23 23 THR CA C 13 65.967 0.200 . . . . . . 23 THR CA . 7327 1 167 . 1 1 23 23 THR CG2 C 13 19.925 0.200 . . . . . . 23 THR CG2 . 7327 1 168 . 1 1 24 24 CYS H H 1 8.797 0.002 . . . . . . 24 CYS HN . 7327 1 169 . 1 1 24 24 CYS HA H 1 4.514 0.002 . . . . . . 24 CYS HA . 7327 1 170 . 1 1 24 24 CYS HB2 H 1 3.786 0.002 . . . . . . 24 CYS HB2 . 7327 1 171 . 1 1 24 24 CYS HB3 H 1 2.701 0.002 . . . . . . 24 CYS HB3 . 7327 1 172 . 1 1 24 24 CYS CA C 13 57.153 0.200 . . . . . . 24 CYS CA . 7327 1 173 . 1 1 25 25 SER H H 1 7.909 0.002 . . . . . . 25 SER HN . 7327 1 174 . 1 1 25 25 SER HA H 1 4.155 0.002 . . . . . . 25 SER HA . 7327 1 175 . 1 1 25 25 SER HB2 H 1 3.491 0.002 . . . . . . 25 SER HB2 . 7327 1 176 . 1 1 25 25 SER HB3 H 1 2.425 0.002 . . . . . . 25 SER HB3 . 7327 1 177 . 1 1 25 25 SER CA C 13 58.220 0.200 . . . . . . 25 SER CA . 7327 1 178 . 1 1 26 26 GLY H H 1 6.532 0.002 . . . . . . 26 GLY HN . 7327 1 179 . 1 1 26 26 GLY HA2 H 1 4.128 0.002 . . . . . . 26 GLY HA1 . 7327 1 180 . 1 1 26 26 GLY HA3 H 1 3.836 0.002 . . . . . . 26 GLY HA2 . 7327 1 181 . 1 1 26 26 GLY CA C 13 44.472 0.200 . . . . . . 26 GLY CA . 7327 1 182 . 1 1 27 27 GLY H H 1 8.009 0.002 . . . . . . 27 GLY HN . 7327 1 183 . 1 1 27 27 GLY HA2 H 1 4.317 0.002 . . . . . . 27 GLY HA1 . 7327 1 184 . 1 1 27 27 GLY HA3 H 1 3.633 0.002 . . . . . . 27 GLY HA2 . 7327 1 185 . 1 1 27 27 GLY CA C 13 45.212 0.200 . . . . . . 27 GLY CA . 7327 1 186 . 1 1 28 28 THR H H 1 7.250 0.002 . . . . . . 28 THR HN . 7327 1 187 . 1 1 28 28 THR HA H 1 4.779 0.002 . . . . . . 28 THR HA . 7327 1 188 . 1 1 28 28 THR HB H 1 4.202 0.002 . . . . . . 28 THR HB . 7327 1 189 . 1 1 28 28 THR HG21 H 1 1.111 0.002 . . . . . . 28 THR HG2 . 7327 1 190 . 1 1 28 28 THR HG22 H 1 1.111 0.002 . . . . . . 28 THR HG2 . 7327 1 191 . 1 1 28 28 THR HG23 H 1 1.111 0.002 . . . . . . 28 THR HG2 . 7327 1 192 . 1 1 28 28 THR CA C 13 58.539 0.200 . . . . . . 28 THR CA . 7327 1 193 . 1 1 28 28 THR CG2 C 13 20.555 0.200 . . . . . . 28 THR CG2 . 7327 1 194 . 1 1 29 29 GLY H H 1 8.707 0.002 . . . . . . 29 GLY HN . 7327 1 195 . 1 1 29 29 GLY HA2 H 1 3.754 0.002 . . . . . . 29 GLY HA1 . 7327 1 196 . 1 1 29 29 GLY HA3 H 1 3.729 0.002 . . . . . . 29 GLY HA2 . 7327 1 197 . 1 1 29 29 GLY CA C 13 47.081 0.200 . . . . . . 29 GLY CA . 7327 1 198 . 1 1 30 30 ASN H H 1 8.733 0.002 . . . . . . 30 ASN HN . 7327 1 199 . 1 1 30 30 ASN HA H 1 4.817 0.002 . . . . . . 30 ASN HA . 7327 1 200 . 1 1 30 30 ASN HB2 H 1 2.888 0.002 . . . . . . 30 ASN HB2 . 7327 1 201 . 1 1 30 30 ASN HB3 H 1 2.521 0.002 . . . . . . 30 ASN HB3 . 7327 1 202 . 1 1 30 30 ASN CA C 13 52.554 0.200 . . . . . . 30 ASN CA . 7327 1 203 . 1 1 31 31 CYS H H 1 6.908 0.002 . . . . . . 31 CYS HN . 7327 1 204 . 1 1 31 31 CYS HA H 1 4.779 0.002 . . . . . . 31 CYS HA . 7327 1 205 . 1 1 31 31 CYS HB2 H 1 3.369 0.002 . . . . . . 31 CYS HB2 . 7327 1 206 . 1 1 31 31 CYS HB3 H 1 2.922 0.002 . . . . . . 31 CYS HB3 . 7327 1 207 . 1 1 31 31 CYS CA C 13 54.926 0.200 . . . . . . 31 CYS CA . 7327 1 208 . 1 1 32 32 GLY H H 1 9.468 0.002 . . . . . . 32 GLY HN . 7327 1 209 . 1 1 32 32 GLY HA2 H 1 4.724 0.002 . . . . . . 32 GLY HA1 . 7327 1 210 . 1 1 32 32 GLY HA3 H 1 3.569 0.002 . . . . . . 32 GLY HA2 . 7327 1 211 . 1 1 32 32 GLY CA C 13 45.045 0.200 . . . . . . 32 GLY CA . 7327 1 212 . 1 1 33 33 THR H H 1 9.495 0.002 . . . . . . 33 THR HN . 7327 1 213 . 1 1 33 33 THR HA H 1 3.397 0.002 . . . . . . 33 THR HA . 7327 1 214 . 1 1 33 33 THR HB H 1 4.061 0.002 . . . . . . 33 THR HB . 7327 1 215 . 1 1 33 33 THR HG21 H 1 1.194 0.002 . . . . . . 33 THR HG2 . 7327 1 216 . 1 1 33 33 THR HG22 H 1 1.194 0.002 . . . . . . 33 THR HG2 . 7327 1 217 . 1 1 33 33 THR HG23 H 1 1.194 0.002 . . . . . . 33 THR HG2 . 7327 1 218 . 1 1 33 33 THR CA C 13 67.865 0.200 . . . . . . 33 THR CA . 7327 1 219 . 1 1 33 33 THR CG2 C 13 21.870 0.200 . . . . . . 33 THR CG2 . 7327 1 220 . 1 1 34 34 VAL H H 1 8.510 0.002 . . . . . . 34 VAL HN . 7327 1 221 . 1 1 34 34 VAL HA H 1 3.620 0.002 . . . . . . 34 VAL HA . 7327 1 222 . 1 1 34 34 VAL HB H 1 1.815 0.002 . . . . . . 34 VAL HB . 7327 1 223 . 1 1 34 34 VAL HG11 H 1 1.003 0.002 . . . . . . 34 VAL HG1 . 7327 1 224 . 1 1 34 34 VAL HG12 H 1 1.003 0.002 . . . . . . 34 VAL HG1 . 7327 1 225 . 1 1 34 34 VAL HG13 H 1 1.003 0.002 . . . . . . 34 VAL HG1 . 7327 1 226 . 1 1 34 34 VAL HG21 H 1 0.846 0.002 . . . . . . 34 VAL HG2 . 7327 1 227 . 1 1 34 34 VAL HG22 H 1 0.846 0.002 . . . . . . 34 VAL HG2 . 7327 1 228 . 1 1 34 34 VAL HG23 H 1 0.846 0.002 . . . . . . 34 VAL HG2 . 7327 1 229 . 1 1 34 34 VAL CA C 13 67.153 0.200 . . . . . . 34 VAL CA . 7327 1 230 . 1 1 34 34 VAL CG1 C 13 22.641 0.200 . . . . . . 34 VAL CG1 . 7327 1 231 . 1 1 34 34 VAL CG2 C 13 20.404 0.200 . . . . . . 34 VAL CG2 . 7327 1 232 . 1 1 35 35 CYS H H 1 7.944 0.002 . . . . . . 35 CYS HN . 7327 1 233 . 1 1 35 35 CYS HA H 1 4.295 0.002 . . . . . . 35 CYS HA . 7327 1 234 . 1 1 35 35 CYS HB2 H 1 3.458 0.002 . . . . . . 35 CYS HB2 . 7327 1 235 . 1 1 35 35 CYS HB3 H 1 2.993 0.002 . . . . . . 35 CYS HB3 . 7327 1 236 . 1 1 36 36 CYS H H 1 8.804 0.002 . . . . . . 36 CYS HN . 7327 1 237 . 1 1 36 36 CYS HA H 1 4.249 0.002 . . . . . . 36 CYS HA . 7327 1 238 . 1 1 36 36 CYS HB2 H 1 3.344 0.002 . . . . . . 36 CYS HB2 . 7327 1 239 . 1 1 36 36 CYS HB3 H 1 3.043 0.002 . . . . . . 36 CYS HB3 . 7327 1 240 . 1 1 36 36 CYS CA C 13 58.030 0.200 . . . . . . 36 CYS CA . 7327 1 241 . 1 1 37 37 GLY H H 1 8.412 0.002 . . . . . . 37 GLY HN . 7327 1 242 . 1 1 37 37 GLY HA2 H 1 4.009 0.002 . . . . . . 37 GLY HA1 . 7327 1 243 . 1 1 37 37 GLY HA3 H 1 3.978 0.002 . . . . . . 37 GLY HA2 . 7327 1 244 . 1 1 37 37 GLY CA C 13 46.435 0.200 . . . . . . 37 GLY CA . 7327 1 245 . 1 1 38 38 GLN H H 1 8.141 0.002 . . . . . . 38 GLN HN . 7327 1 246 . 1 1 38 38 GLN HA H 1 4.259 0.002 . . . . . . 38 GLN HA . 7327 1 247 . 1 1 38 38 GLN HB2 H 1 2.646 0.002 . . . . . . 38 GLN HB . 7327 1 248 . 1 1 38 38 GLN HB3 H 1 2.646 0.002 . . . . . . 38 GLN HB . 7327 1 249 . 1 1 38 38 GLN HG2 H 1 2.452 0.002 . . . . . . 38 GLN HG . 7327 1 250 . 1 1 38 38 GLN HG3 H 1 2.452 0.002 . . . . . . 38 GLN HG . 7327 1 251 . 1 1 38 38 GLN CA C 13 58.671 0.200 . . . . . . 38 GLN CA . 7327 1 252 . 1 1 39 39 CYS H H 1 7.853 0.002 . . . . . . 39 CYS HN . 7327 1 253 . 1 1 39 39 CYS HA H 1 4.349 0.002 . . . . . . 39 CYS HA . 7327 1 254 . 1 1 39 39 CYS HB2 H 1 3.215 0.002 . . . . . . 39 CYS HB2 . 7327 1 255 . 1 1 39 39 CYS HB3 H 1 2.793 0.002 . . . . . . 39 CYS HB3 . 7327 1 256 . 1 1 39 39 CYS CA C 13 59.782 0.200 . . . . . . 39 CYS CA . 7327 1 257 . 1 1 40 40 PHE H H 1 8.173 0.002 . . . . . . 40 PHE HN . 7327 1 258 . 1 1 40 40 PHE HA H 1 5.834 0.002 . . . . . . 40 PHE HA . 7327 1 259 . 1 1 40 40 PHE HB2 H 1 3.202 0.002 . . . . . . 40 PHE HB2 . 7327 1 260 . 1 1 40 40 PHE HB3 H 1 2.692 0.002 . . . . . . 40 PHE HB3 . 7327 1 261 . 1 1 40 40 PHE HD1 H 1 7.462 0.002 . . . . . . 40 PHE HD . 7327 1 262 . 1 1 40 40 PHE HD2 H 1 7.462 0.002 . . . . . . 40 PHE HD . 7327 1 263 . 1 1 40 40 PHE HE1 H 1 7.705 0.002 . . . . . . 40 PHE HE . 7327 1 264 . 1 1 40 40 PHE HE2 H 1 7.705 0.002 . . . . . . 40 PHE HE . 7327 1 265 . 1 1 40 40 PHE CA C 13 56.466 0.200 . . . . . . 40 PHE CA . 7327 1 266 . 1 1 41 41 SER H H 1 9.501 0.002 . . . . . . 41 SER HN . 7327 1 267 . 1 1 41 41 SER HA H 1 4.880 0.002 . . . . . . 41 SER HA . 7327 1 268 . 1 1 41 41 SER HB2 H 1 4.313 0.002 . . . . . . 41 SER HB2 . 7327 1 269 . 1 1 41 41 SER HB3 H 1 4.175 0.002 . . . . . . 41 SER HB3 . 7327 1 270 . 1 1 41 41 SER CA C 13 56.936 0.200 . . . . . . 41 SER CA . 7327 1 271 . 1 1 42 42 PHE H H 1 9.028 0.002 . . . . . . 42 PHE HN . 7327 1 272 . 1 1 42 42 PHE HA H 1 4.557 0.002 . . . . . . 42 PHE HA . 7327 1 273 . 1 1 42 42 PHE HB2 H 1 3.305 0.002 . . . . . . 42 PHE HB2 . 7327 1 274 . 1 1 42 42 PHE HB3 H 1 3.120 0.002 . . . . . . 42 PHE HB3 . 7327 1 275 . 1 1 42 42 PHE HD1 H 1 7.257 0.002 . . . . . . 42 PHE HD . 7327 1 276 . 1 1 42 42 PHE HD2 H 1 7.257 0.002 . . . . . . 42 PHE HD . 7327 1 277 . 1 1 42 42 PHE HE1 H 1 7.432 0.002 . . . . . . 42 PHE HE . 7327 1 278 . 1 1 42 42 PHE HE2 H 1 7.432 0.002 . . . . . . 42 PHE HE . 7327 1 279 . 1 1 42 42 PHE HZ H 1 7.409 0.002 . . . . . . 42 PHE HZ . 7327 1 280 . 1 1 42 42 PHE CA C 13 57.539 0.200 . . . . . . 42 PHE CA . 7327 1 281 . 1 1 43 43 PRO HA H 1 3.218 0.002 . . . . . . 43 PRO HA . 7327 1 282 . 1 1 43 43 PRO HB2 H 1 1.732 0.002 . . . . . . 43 PRO HB2 . 7327 1 283 . 1 1 43 43 PRO HB3 H 1 1.102 0.002 . . . . . . 43 PRO HB3 . 7327 1 284 . 1 1 43 43 PRO HG2 H 1 1.652 0.002 . . . . . . 43 PRO HG2 . 7327 1 285 . 1 1 43 43 PRO HG3 H 1 1.203 0.002 . . . . . . 43 PRO HG3 . 7327 1 286 . 1 1 43 43 PRO HD2 H 1 3.406 0.002 . . . . . . 43 PRO HD2 . 7327 1 287 . 1 1 43 43 PRO HD3 H 1 3.029 0.002 . . . . . . 43 PRO HD3 . 7327 1 288 . 1 1 44 44 VAL H H 1 7.467 0.002 . . . . . . 44 VAL HN . 7327 1 289 . 1 1 44 44 VAL HA H 1 3.646 0.002 . . . . . . 44 VAL HA . 7327 1 290 . 1 1 44 44 VAL HB H 1 2.134 0.002 . . . . . . 44 VAL HB . 7327 1 291 . 1 1 44 44 VAL HG11 H 1 0.749 0.002 . . . . . . 44 VAL HG1 . 7327 1 292 . 1 1 44 44 VAL HG12 H 1 0.749 0.002 . . . . . . 44 VAL HG1 . 7327 1 293 . 1 1 44 44 VAL HG13 H 1 0.749 0.002 . . . . . . 44 VAL HG1 . 7327 1 294 . 1 1 44 44 VAL HG21 H 1 0.377 0.002 . . . . . . 44 VAL HG2 . 7327 1 295 . 1 1 44 44 VAL HG22 H 1 0.377 0.002 . . . . . . 44 VAL HG2 . 7327 1 296 . 1 1 44 44 VAL HG23 H 1 0.377 0.002 . . . . . . 44 VAL HG2 . 7327 1 297 . 1 1 44 44 VAL CA C 13 65.968 0.200 . . . . . . 44 VAL CA . 7327 1 298 . 1 1 44 44 VAL CG1 C 13 22.940 0.200 . . . . . . 44 VAL CG1 . 7327 1 299 . 1 1 44 44 VAL CG2 C 13 24.170 0.200 . . . . . . 44 VAL CG2 . 7327 1 300 . 1 1 45 45 SER H H 1 8.047 0.002 . . . . . . 45 SER HN . 7327 1 301 . 1 1 45 45 SER HA H 1 3.789 0.002 . . . . . . 45 SER HA . 7327 1 302 . 1 1 45 45 SER HB2 H 1 4.339 0.002 . . . . . . 45 SER HB . 7327 1 303 . 1 1 45 45 SER HB3 H 1 4.339 0.002 . . . . . . 45 SER HB . 7327 1 304 . 1 1 45 45 SER CA C 13 61.002 0.200 . . . . . . 45 SER CA . 7327 1 305 . 1 1 46 46 GLN H H 1 6.929 0.002 . . . . . . 46 GLN HN . 7327 1 306 . 1 1 46 46 GLN HA H 1 4.293 0.002 . . . . . . 46 GLN HA . 7327 1 307 . 1 1 46 46 GLN HB2 H 1 2.200 0.002 . . . . . . 46 GLN HB . 7327 1 308 . 1 1 46 46 GLN HB3 H 1 2.200 0.002 . . . . . . 46 GLN HB . 7327 1 309 . 1 1 46 46 GLN HG2 H 1 2.473 0.002 . . . . . . 46 GLN HG2 . 7327 1 310 . 1 1 46 46 GLN HG3 H 1 2.372 0.002 . . . . . . 46 GLN HG3 . 7327 1 311 . 1 1 47 47 SER H H 1 7.759 0.002 . . . . . . 47 SER HN . 7327 1 312 . 1 1 47 47 SER HA H 1 4.345 0.002 . . . . . . 47 SER HA . 7327 1 313 . 1 1 47 47 SER HB2 H 1 4.043 0.002 . . . . . . 47 SER HB . 7327 1 314 . 1 1 47 47 SER HB3 H 1 4.043 0.002 . . . . . . 47 SER HB . 7327 1 315 . 1 1 47 47 SER CA C 13 60.551 0.200 . . . . . . 47 SER CA . 7327 1 316 . 1 1 48 48 CYS H H 1 8.703 0.002 . . . . . . 48 CYS HN . 7327 1 317 . 1 1 48 48 CYS HA H 1 3.318 0.002 . . . . . . 48 CYS HA . 7327 1 318 . 1 1 48 48 CYS HB2 H 1 2.704 0.002 . . . . . . 48 CYS HB . 7327 1 319 . 1 1 48 48 CYS HB3 H 1 2.704 0.002 . . . . . . 48 CYS HB . 7327 1 320 . 1 1 48 48 CYS CA C 13 59.319 0.200 . . . . . . 48 CYS CA . 7327 1 321 . 1 1 49 49 ALA H H 1 7.942 0.002 . . . . . . 49 ALA HN . 7327 1 322 . 1 1 49 49 ALA HA H 1 3.792 0.002 . . . . . . 49 ALA HA . 7327 1 323 . 1 1 49 49 ALA HB1 H 1 1.501 0.002 . . . . . . 49 ALA HB . 7327 1 324 . 1 1 49 49 ALA HB2 H 1 1.501 0.002 . . . . . . 49 ALA HB . 7327 1 325 . 1 1 49 49 ALA HB3 H 1 1.501 0.002 . . . . . . 49 ALA HB . 7327 1 326 . 1 1 49 49 ALA CA C 13 54.827 0.200 . . . . . . 49 ALA CA . 7327 1 327 . 1 1 49 49 ALA CB C 13 18.337 0.200 . . . . . . 49 ALA CB . 7327 1 328 . 1 1 50 50 GLY H H 1 8.382 0.002 . . . . . . 50 GLY HN . 7327 1 329 . 1 1 50 50 GLY HA2 H 1 3.997 0.002 . . . . . . 50 GLY HA1 . 7327 1 330 . 1 1 50 50 GLY HA3 H 1 3.939 0.002 . . . . . . 50 GLY HA2 . 7327 1 331 . 1 1 50 50 GLY CA C 13 45.040 0.200 . . . . . . 50 GLY CA . 7327 1 332 . 1 1 51 51 MET H H 1 7.967 0.002 . . . . . . 51 MET HN . 7327 1 333 . 1 1 51 51 MET HA H 1 4.447 0.002 . . . . . . 51 MET HA . 7327 1 334 . 1 1 51 51 MET HB2 H 1 2.157 0.002 . . . . . . 51 MET HB . 7327 1 335 . 1 1 51 51 MET HB3 H 1 2.157 0.002 . . . . . . 51 MET HB . 7327 1 336 . 1 1 51 51 MET HG2 H 1 2.698 0.002 . . . . . . 51 MET HG2 . 7327 1 337 . 1 1 51 51 MET HG3 H 1 2.647 0.002 . . . . . . 51 MET HG3 . 7327 1 338 . 1 1 51 51 MET CA C 13 56.804 0.200 . . . . . . 51 MET CA . 7327 1 339 . 1 1 51 51 MET CE C 13 16.455 0.200 . . . . . . 51 MET CE . 7327 1 340 . 1 1 52 52 ALA H H 1 8.158 0.002 . . . . . . 52 ALA HN . 7327 1 341 . 1 1 52 52 ALA HA H 1 4.264 0.002 . . . . . . 52 ALA HA . 7327 1 342 . 1 1 52 52 ALA HB1 H 1 1.581 0.002 . . . . . . 52 ALA HB . 7327 1 343 . 1 1 52 52 ALA HB2 H 1 1.581 0.002 . . . . . . 52 ALA HB . 7327 1 344 . 1 1 52 52 ALA HB3 H 1 1.581 0.002 . . . . . . 52 ALA HB . 7327 1 345 . 1 1 52 52 ALA CA C 13 54.227 0.200 . . . . . . 52 ALA CA . 7327 1 346 . 1 1 52 52 ALA CB C 13 16.762 0.200 . . . . . . 52 ALA CB . 7327 1 347 . 1 1 53 53 ASP H H 1 7.768 0.002 . . . . . . 53 ASP HN . 7327 1 348 . 1 1 53 53 ASP HA H 1 4.585 0.002 . . . . . . 53 ASP HA . 7327 1 349 . 1 1 53 53 ASP HB2 H 1 2.831 0.002 . . . . . . 53 ASP HB . 7327 1 350 . 1 1 53 53 ASP HB3 H 1 2.831 0.002 . . . . . . 53 ASP HB . 7327 1 351 . 1 1 53 53 ASP CA C 13 54.316 0.200 . . . . . . 53 ASP CA . 7327 1 352 . 1 1 54 54 SER H H 1 8.215 0.002 . . . . . . 54 SER HN . 7327 1 353 . 1 1 54 54 SER HA H 1 4.281 0.002 . . . . . . 54 SER HA . 7327 1 354 . 1 1 54 54 SER HB2 H 1 4.074 0.002 . . . . . . 54 SER HB2 . 7327 1 355 . 1 1 54 54 SER HB3 H 1 4.025 0.002 . . . . . . 54 SER HB3 . 7327 1 356 . 1 1 54 54 SER CA C 13 60.929 0.200 . . . . . . 54 SER CA . 7327 1 357 . 1 1 55 55 ASN H H 1 7.756 0.002 . . . . . . 55 ASN HN . 7327 1 358 . 1 1 55 55 ASN HA H 1 4.839 0.002 . . . . . . 55 ASN HA . 7327 1 359 . 1 1 55 55 ASN HB2 H 1 2.828 0.002 . . . . . . 55 ASN HB2 . 7327 1 360 . 1 1 55 55 ASN HB3 H 1 2.621 0.002 . . . . . . 55 ASN HB3 . 7327 1 361 . 1 1 55 55 ASN CA C 13 57.329 0.200 . . . . . . 55 ASN CA . 7327 1 362 . 1 1 56 56 ASP H H 1 8.131 0.002 . . . . . . 56 ASP HN . 7327 1 363 . 1 1 56 56 ASP HA H 1 4.408 0.002 . . . . . . 56 ASP HA . 7327 1 364 . 1 1 56 56 ASP HB2 H 1 3.008 0.002 . . . . . . 56 ASP HB2 . 7327 1 365 . 1 1 56 56 ASP HB3 H 1 2.713 0.002 . . . . . . 56 ASP HB3 . 7327 1 366 . 1 1 56 56 ASP CA C 13 56.010 0.200 . . . . . . 56 ASP CA . 7327 1 367 . 1 1 57 57 CYS H H 1 8.081 0.002 . . . . . . 57 CYS HN . 7327 1 368 . 1 1 57 57 CYS HA H 1 4.592 0.002 . . . . . . 57 CYS HA . 7327 1 369 . 1 1 57 57 CYS HB2 H 1 3.930 0.002 . . . . . . 57 CYS HB2 . 7327 1 370 . 1 1 57 57 CYS HB3 H 1 2.931 0.002 . . . . . . 57 CYS HB3 . 7327 1 371 . 1 1 58 58 PRO HA H 1 4.528 0.002 . . . . . . 58 PRO HA . 7327 1 372 . 1 1 58 58 PRO HB2 H 1 2.283 0.002 . . . . . . 58 PRO HB2 . 7327 1 373 . 1 1 58 58 PRO HB3 H 1 2.027 0.002 . . . . . . 58 PRO HB3 . 7327 1 374 . 1 1 58 58 PRO HG2 H 1 2.124 0.002 . . . . . . 58 PRO HG2 . 7327 1 375 . 1 1 58 58 PRO HG3 H 1 1.904 0.002 . . . . . . 58 PRO HG3 . 7327 1 376 . 1 1 58 58 PRO HD2 H 1 4.041 0.002 . . . . . . 58 PRO HD2 . 7327 1 377 . 1 1 58 58 PRO HD3 H 1 3.470 0.002 . . . . . . 58 PRO HD3 . 7327 1 378 . 1 1 59 59 ASN H H 1 7.270 0.002 . . . . . . 59 ASN HN . 7327 1 379 . 1 1 59 59 ASN HA H 1 4.808 0.002 . . . . . . 59 ASN HA . 7327 1 380 . 1 1 59 59 ASN HB2 H 1 3.047 0.002 . . . . . . 59 ASN HB2 . 7327 1 381 . 1 1 59 59 ASN HB3 H 1 2.956 0.002 . . . . . . 59 ASN HB3 . 7327 1 382 . 1 1 59 59 ASN CA C 13 52.610 0.200 . . . . . . 59 ASN CA . 7327 1 383 . 1 1 60 60 ALA H H 1 8.036 0.002 . . . . . . 60 ALA HN . 7327 1 384 . 1 1 60 60 ALA HA H 1 4.040 0.002 . . . . . . 60 ALA HA . 7327 1 385 . 1 1 60 60 ALA HB1 H 1 1.370 0.002 . . . . . . 60 ALA HB . 7327 1 386 . 1 1 60 60 ALA HB2 H 1 1.370 0.002 . . . . . . 60 ALA HB . 7327 1 387 . 1 1 60 60 ALA HB3 H 1 1.370 0.002 . . . . . . 60 ALA HB . 7327 1 388 . 1 1 60 60 ALA CA C 13 53.352 0.200 . . . . . . 60 ALA CA . 7327 1 389 . 1 1 60 60 ALA CB C 13 18.930 0.200 . . . . . . 60 ALA CB . 7327 1 stop_ save_