data_4344 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4344 _Entry.Title ; 1H and 15N Chemical Shift Assignments for Apo-CopZ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-05-06 _Entry.Accession_date 1999-05-06 _Entry.Last_release_date 1999-05-25 _Entry.Original_release_date 1999-05-25 _Entry.Origination author _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 Reinhard Wimmer . . . 4344 2 Torsten Herrmann . . . 4344 3 Marc Solioz . . . 4344 4 Kurt Wuethrich . . . 4344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 74 4344 '1H chemical shifts' 443 4344 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 1 . . 1999-05-25 1999-05-06 original author . 4344 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4344 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wimmer, R., Herrmann, T., Solioz, M., and Wuethrich, K., "NMR Structure and Metal Interactions of the CopZ Copper Chaperone," J. Biol. Chem., In press. ; _Citation.Title 'NMR Structure and Metal Interactions of the CopZ Copper Chaperone' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Reinhard Wimmer . . . 4344 1 2 Torsten Herrmann . . . 4344 1 3 Marc Solioz . . . 4344 1 4 Kurt Wuethrich . . . 4344 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Copper Chaperone' 4344 1 'metal binding protein' 4344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_apo_CopZ _Assembly.Sf_category assembly _Assembly.Sf_framecode apo_CopZ _Assembly.Entry_ID 4344 _Assembly.ID 1 _Assembly.Name CopZ _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 no _Assembly.Thiol_state . _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 monomer 4344 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 'apo CopZ monomer' 1 $CopZ_peptide . . yes native . . . . . 4344 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CopZ abbreviation 4344 1 CopZ system 4344 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'copper chaperone' 4344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CopZ_peptide _Entity.Sf_category entity _Entity.Sf_framecode CopZ_peptide _Entity.Entry_ID 4344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CopZ _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 ; AQEFSVKGMSCNHCVARIEE AVGRISGVKKVKVQLKKEKA VVKFDEANVQATEICQAINE LGYQAEVI ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 ; expression in E.coli yielded an N-terminus changed from MKQ to AQ No disulfides exist in the molecule. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1CPZ . "Copper Chaperone Of Enterococcus Hirae (Apo-Form)" . . . . . 100.00 68 100.00 100.00 1.96e-38 . . . . 4344 1 2 no EMBL CAA86836 . "activator of copYZAB [Enterococcus hirae ATCC 9790]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 3 no GB AFM70728 . "copper chaperone [Enterococcus hirae ATCC 9790]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 4 no GB EOF61613 . "copper chaperone CopZ [Enterococcus hirae EnGen0127]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 5 no GB EOH69882 . "copper chaperone CopZ [Enterococcus hirae ATCC 9790]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 6 no GB EOU07149 . "copper chaperone CopZ [Enterococcus hirae ATCC 9790]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 7 no GB KDR91397 . "copper-binding protein [Enterococcus hirae]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 8 no REF WP_010718490 . "MULTISPECIES: copper chaperone CopZ [Enterococcus]" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 9 no SP Q47840 . "RecName: Full=Copper chaperone CopZ; AltName: Full=Activator of copYZAB" . . . . . 98.53 69 100.00 100.00 7.34e-38 . . . . 4344 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CopZ abbreviation 4344 1 CopZ common 4344 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 . ALA . 4344 1 2 . GLN . 4344 1 3 . GLU . 4344 1 4 . PHE . 4344 1 5 . SER . 4344 1 6 . VAL . 4344 1 7 . LYS . 4344 1 8 . GLY . 4344 1 9 . MET . 4344 1 10 . SER . 4344 1 11 . CYS . 4344 1 12 . ASN . 4344 1 13 . HIS . 4344 1 14 . CYS . 4344 1 15 . VAL . 4344 1 16 . ALA . 4344 1 17 . ARG . 4344 1 18 . ILE . 4344 1 19 . GLU . 4344 1 20 . GLU . 4344 1 21 . ALA . 4344 1 22 . VAL . 4344 1 23 . GLY . 4344 1 24 . ARG . 4344 1 25 . ILE . 4344 1 26 . SER . 4344 1 27 . GLY . 4344 1 28 . VAL . 4344 1 29 . LYS . 4344 1 30 . LYS . 4344 1 31 . VAL . 4344 1 32 . LYS . 4344 1 33 . VAL . 4344 1 34 . GLN . 4344 1 35 . LEU . 4344 1 36 . LYS . 4344 1 37 . LYS . 4344 1 38 . GLU . 4344 1 39 . LYS . 4344 1 40 . ALA . 4344 1 41 . VAL . 4344 1 42 . VAL . 4344 1 43 . LYS . 4344 1 44 . PHE . 4344 1 45 . ASP . 4344 1 46 . GLU . 4344 1 47 . ALA . 4344 1 48 . ASN . 4344 1 49 . VAL . 4344 1 50 . GLN . 4344 1 51 . ALA . 4344 1 52 . THR . 4344 1 53 . GLU . 4344 1 54 . ILE . 4344 1 55 . CYS . 4344 1 56 . GLN . 4344 1 57 . ALA . 4344 1 58 . ILE . 4344 1 59 . ASN . 4344 1 60 . GLU . 4344 1 61 . LEU . 4344 1 62 . GLY . 4344 1 63 . TYR . 4344 1 64 . GLN . 4344 1 65 . ALA . 4344 1 66 . GLU . 4344 1 67 . VAL . 4344 1 68 . ILE . 4344 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4344 1 . GLN 2 2 4344 1 . GLU 3 3 4344 1 . PHE 4 4 4344 1 . SER 5 5 4344 1 . VAL 6 6 4344 1 . LYS 7 7 4344 1 . GLY 8 8 4344 1 . MET 9 9 4344 1 . SER 10 10 4344 1 . CYS 11 11 4344 1 . ASN 12 12 4344 1 . HIS 13 13 4344 1 . CYS 14 14 4344 1 . VAL 15 15 4344 1 . ALA 16 16 4344 1 . ARG 17 17 4344 1 . ILE 18 18 4344 1 . GLU 19 19 4344 1 . GLU 20 20 4344 1 . ALA 21 21 4344 1 . VAL 22 22 4344 1 . GLY 23 23 4344 1 . ARG 24 24 4344 1 . ILE 25 25 4344 1 . SER 26 26 4344 1 . GLY 27 27 4344 1 . VAL 28 28 4344 1 . LYS 29 29 4344 1 . LYS 30 30 4344 1 . VAL 31 31 4344 1 . LYS 32 32 4344 1 . VAL 33 33 4344 1 . GLN 34 34 4344 1 . LEU 35 35 4344 1 . LYS 36 36 4344 1 . LYS 37 37 4344 1 . GLU 38 38 4344 1 . LYS 39 39 4344 1 . ALA 40 40 4344 1 . VAL 41 41 4344 1 . VAL 42 42 4344 1 . LYS 43 43 4344 1 . PHE 44 44 4344 1 . ASP 45 45 4344 1 . GLU 46 46 4344 1 . ALA 47 47 4344 1 . ASN 48 48 4344 1 . VAL 49 49 4344 1 . GLN 50 50 4344 1 . ALA 51 51 4344 1 . THR 52 52 4344 1 . GLU 53 53 4344 1 . ILE 54 54 4344 1 . CYS 55 55 4344 1 . GLN 56 56 4344 1 . ALA 57 57 4344 1 . ILE 58 58 4344 1 . ASN 59 59 4344 1 . GLU 60 60 4344 1 . LEU 61 61 4344 1 . GLY 62 62 4344 1 . TYR 63 63 4344 1 . GLN 64 64 4344 1 . ALA 65 65 4344 1 . GLU 66 66 4344 1 . VAL 67 67 4344 1 . ILE 68 68 4344 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 4344 _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 $CopZ_peptide . 1354 . . 'Enterococcus hirae' 'Enterococcus hirae' . . Eubacteria . Enterococcus hirae wild-type . . . . . . . 9790 . . . cytoplasm . . . copZ . . . . 4344 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 4344 _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 $CopZ_peptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . 'pQE6 plus helper plasmid pREP4' . . . ; overexpression in E. coli resulted in a modification of the N-terminus from MKQ to AQ ; . . 4344 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4344 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'the sample was prepared and sealed under oxygen-free conditions' _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 CopZ [U-15N] . . 1 $CopZ_peptide . . 1.3 . . mM . . . . 4344 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4344 1 3 Na2S2O4 . . . . . . . 10 . . uM . . . . 4344 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 4344 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The sample contained 50mM NaPi and 10uM Na2S2O4' 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 7.0 0.1 na 4344 1 temperature 288.2 0.2 K 4344 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4344 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 4344 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4344 _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 NMR_spectrometer1 Bruker DRX . 500 . . . 4344 1 2 NMR_spectrometer2 Bruker DRX . 600 . . . 4344 1 3 NMR_spectrometer3 Bruker DRX . 750 . . . 4344 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 4344 _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 2QF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 2 '2D 3QF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 3 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 4 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 6 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 7 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 8 '3D ct-HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 9 'mixing time of NOESY spectra: 50 ms' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 10 'mixing time of TOCSY spectra: 50 and 90 ms' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4344 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 2QF-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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 3QF-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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H 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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-1H 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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-15N 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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N 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_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-1H-15N 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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D ct-HNHB' _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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'mixing time of NOESY spectra: 50 ms' _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_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4344 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 'mixing time of TOCSY spectra: 50 and 90 ms' _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4344 _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 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4344 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4344 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4344 _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_reference _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 '2D 2QF-COSY' 1 $sample_1 . 4344 1 2 '2D 3QF-COSY' 1 $sample_1 . 4344 1 3 '2D 1H-1H TOCSY' 1 $sample_1 . 4344 1 4 '2D 1H-1H NOESY' 1 $sample_1 . 4344 1 5 '2D 1H-15N HSQC' 1 $sample_1 . 4344 1 6 '3D 1H-1H-15N NOESY' 1 $sample_1 . 4344 1 7 '3D 1H-1H-15N TOCSY' 1 $sample_1 . 4344 1 8 '3D ct-HNHB' 1 $sample_1 . 4344 1 9 'mixing time of NOESY spectra: 50 ms' 1 $sample_1 . 4344 1 10 'mixing time of TOCSY spectra: 50 and 90 ms' 1 $sample_1 . 4344 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 1 1 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 4344 1 2 . 1 1 1 1 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 4344 1 3 . 1 1 1 1 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 4344 1 4 . 1 1 1 1 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 4344 1 5 . 1 1 2 2 GLN N N 15 119.6 0.05 . 1 . . . . . . . . 4344 1 6 . 1 1 2 2 GLN H H 1 8.57 0.02 . 1 . . . . . . . . 4344 1 7 . 1 1 2 2 GLN HA H 1 4.52 0.02 . 1 . . . . . . . . 4344 1 8 . 1 1 2 2 GLN HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4344 1 9 . 1 1 2 2 GLN NE2 N 15 117.2 0.05 . 1 . . . . . . . . 4344 1 10 . 1 1 2 2 GLN HE21 H 1 7.95 0.02 . 2 . . . . . . . . 4344 1 11 . 1 1 2 2 GLN HE22 H 1 6.84 0.02 . 2 . . . . . . . . 4344 1 12 . 1 1 3 3 GLU N N 15 124.1 0.05 . 1 . . . . . . . . 4344 1 13 . 1 1 3 3 GLU H H 1 8.72 0.02 . 1 . . . . . . . . 4344 1 14 . 1 1 3 3 GLU HA H 1 5.35 0.02 . 1 . . . . . . . . 4344 1 15 . 1 1 3 3 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4344 1 16 . 1 1 3 3 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4344 1 17 . 1 1 3 3 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 4344 1 18 . 1 1 3 3 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4344 1 19 . 1 1 4 4 PHE N N 15 118.3 0.05 . 1 . . . . . . . . 4344 1 20 . 1 1 4 4 PHE H H 1 9.15 0.02 . 1 . . . . . . . . 4344 1 21 . 1 1 4 4 PHE HA H 1 5.16 0.02 . 1 . . . . . . . . 4344 1 22 . 1 1 4 4 PHE HB2 H 1 2.55 0.02 . 2 . . . . . . . . 4344 1 23 . 1 1 4 4 PHE HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4344 1 24 . 1 1 4 4 PHE HD1 H 1 7.07 0.02 . 1 . . . . . . . . 4344 1 25 . 1 1 4 4 PHE HD2 H 1 7.07 0.02 . 1 . . . . . . . . 4344 1 26 . 1 1 4 4 PHE HE1 H 1 7.25 0.02 . 1 . . . . . . . . 4344 1 27 . 1 1 4 4 PHE HE2 H 1 7.25 0.02 . 1 . . . . . . . . 4344 1 28 . 1 1 4 4 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 4344 1 29 . 1 1 5 5 SER N N 15 118.9 0.05 . 1 . . . . . . . . 4344 1 30 . 1 1 5 5 SER H H 1 9.35 0.02 . 1 . . . . . . . . 4344 1 31 . 1 1 5 5 SER HA H 1 4.85 0.02 . 1 . . . . . . . . 4344 1 32 . 1 1 5 5 SER HB2 H 1 3.86 0.02 . 2 . . . . . . . . 4344 1 33 . 1 1 5 5 SER HB3 H 1 3.99 0.02 . 2 . . . . . . . . 4344 1 34 . 1 1 6 6 VAL N N 15 124.5 0.05 . 1 . . . . . . . . 4344 1 35 . 1 1 6 6 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4344 1 36 . 1 1 6 6 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 4344 1 37 . 1 1 6 6 VAL HB H 1 1.62 0.02 . 1 . . . . . . . . 4344 1 38 . 1 1 6 6 VAL HG11 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 39 . 1 1 6 6 VAL HG12 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 40 . 1 1 6 6 VAL HG13 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 41 . 1 1 6 6 VAL HG21 H 1 0.60 0.02 . 2 . . . . . . . . 4344 1 42 . 1 1 6 6 VAL HG22 H 1 0.60 0.02 . 2 . . . . . . . . 4344 1 43 . 1 1 6 6 VAL HG23 H 1 0.60 0.02 . 2 . . . . . . . . 4344 1 44 . 1 1 7 7 LYS N N 15 126.2 0.05 . 1 . . . . . . . . 4344 1 45 . 1 1 7 7 LYS H H 1 8.97 0.02 . 1 . . . . . . . . 4344 1 46 . 1 1 7 7 LYS HA H 1 4.72 0.02 . 1 . . . . . . . . 4344 1 47 . 1 1 7 7 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4344 1 48 . 1 1 7 7 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 4344 1 49 . 1 1 8 8 GLY N N 15 107.6 0.05 . 1 . . . . . . . . 4344 1 50 . 1 1 8 8 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 4344 1 51 . 1 1 8 8 GLY HA2 H 1 4.70 0.02 . 2 . . . . . . . . 4344 1 52 . 1 1 8 8 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 4344 1 53 . 1 1 9 9 MET N N 15 121.6 0.05 . 1 . . . . . . . . 4344 1 54 . 1 1 9 9 MET H H 1 9.29 0.02 . 1 . . . . . . . . 4344 1 55 . 1 1 9 9 MET HA H 1 4.96 0.02 . 1 . . . . . . . . 4344 1 56 . 1 1 9 9 MET HB2 H 1 2.45 0.02 . 2 . . . . . . . . 4344 1 57 . 1 1 9 9 MET HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4344 1 58 . 1 1 9 9 MET HG2 H 1 1.35 0.02 . 2 . . . . . . . . 4344 1 59 . 1 1 9 9 MET HG3 H 1 1.91 0.02 . 2 . . . . . . . . 4344 1 60 . 1 1 10 10 SER N N 15 121.0 0.05 . 1 . . . . . . . . 4344 1 61 . 1 1 10 10 SER H H 1 11.08 0.02 . 1 . . . . . . . . 4344 1 62 . 1 1 10 10 SER HA H 1 4.80 0.02 . 1 . . . . . . . . 4344 1 63 . 1 1 10 10 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4344 1 64 . 1 1 10 10 SER HB3 H 1 3.96 0.02 . 2 . . . . . . . . 4344 1 65 . 1 1 11 11 CYS N N 15 119.3 0.05 . 1 . . . . . . . . 4344 1 66 . 1 1 11 11 CYS H H 1 8.67 0.02 . 1 . . . . . . . . 4344 1 67 . 1 1 11 11 CYS HA H 1 5.14 0.02 . 1 . . . . . . . . 4344 1 68 . 1 1 11 11 CYS HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4344 1 69 . 1 1 11 11 CYS HB3 H 1 3.42 0.02 . 2 . . . . . . . . 4344 1 70 . 1 1 12 12 ASN N N 15 117.6 0.05 . 1 . . . . . . . . 4344 1 71 . 1 1 12 12 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 4344 1 72 . 1 1 12 12 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4344 1 73 . 1 1 12 12 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4344 1 74 . 1 1 12 12 ASN HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4344 1 75 . 1 1 12 12 ASN ND2 N 15 112.1 0.05 . 1 . . . . . . . . 4344 1 76 . 1 1 12 12 ASN HD21 H 1 7.69 0.02 . 2 . . . . . . . . 4344 1 77 . 1 1 12 12 ASN HD22 H 1 6.90 0.02 . 2 . . . . . . . . 4344 1 78 . 1 1 13 13 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 4344 1 79 . 1 1 13 13 HIS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 4344 1 80 . 1 1 13 13 HIS HD2 H 1 7.15 0.02 . 1 . . . . . . . . 4344 1 81 . 1 1 13 13 HIS HE1 H 1 7.90 0.02 . 1 . . . . . . . . 4344 1 82 . 1 1 14 14 CYS N N 15 122.7 0.05 . 1 . . . . . . . . 4344 1 83 . 1 1 14 14 CYS H H 1 7.70 0.02 . 1 . . . . . . . . 4344 1 84 . 1 1 14 14 CYS HA H 1 3.91 0.02 . 1 . . . . . . . . 4344 1 85 . 1 1 14 14 CYS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4344 1 86 . 1 1 14 14 CYS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4344 1 87 . 1 1 15 15 VAL N N 15 116.2 0.05 . 1 . . . . . . . . 4344 1 88 . 1 1 15 15 VAL H H 1 6.67 0.02 . 1 . . . . . . . . 4344 1 89 . 1 1 15 15 VAL HA H 1 3.11 0.02 . 1 . . . . . . . . 4344 1 90 . 1 1 15 15 VAL HB H 1 2.37 0.02 . 1 . . . . . . . . 4344 1 91 . 1 1 15 15 VAL HG11 H 1 1.03 0.02 . 2 . . . . . . . . 4344 1 92 . 1 1 15 15 VAL HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4344 1 93 . 1 1 15 15 VAL HG13 H 1 1.03 0.02 . 2 . . . . . . . . 4344 1 94 . 1 1 15 15 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 4344 1 95 . 1 1 15 15 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 4344 1 96 . 1 1 15 15 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 4344 1 97 . 1 1 16 16 ALA N N 15 119.6 0.05 . 1 . . . . . . . . 4344 1 98 . 1 1 16 16 ALA H H 1 7.43 0.02 . 1 . . . . . . . . 4344 1 99 . 1 1 16 16 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4344 1 100 . 1 1 16 16 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 101 . 1 1 16 16 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 102 . 1 1 16 16 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 103 . 1 1 17 17 ARG N N 15 117.9 0.05 . 1 . . . . . . . . 4344 1 104 . 1 1 17 17 ARG H H 1 8.33 0.02 . 1 . . . . . . . . 4344 1 105 . 1 1 17 17 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 4344 1 106 . 1 1 17 17 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4344 1 107 . 1 1 17 17 ARG HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4344 1 108 . 1 1 17 17 ARG HG2 H 1 1.66 0.02 . 2 . . . . . . . . 4344 1 109 . 1 1 17 17 ARG HG3 H 1 1.73 0.02 . 2 . . . . . . . . 4344 1 110 . 1 1 17 17 ARG HD2 H 1 3.25 0.02 . 2 . . . . . . . . 4344 1 111 . 1 1 17 17 ARG HD3 H 1 3.33 0.02 . 2 . . . . . . . . 4344 1 112 . 1 1 18 18 ILE N N 15 120.4 0.05 . 1 . . . . . . . . 4344 1 113 . 1 1 18 18 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 4344 1 114 . 1 1 18 18 ILE HA H 1 3.45 0.02 . 1 . . . . . . . . 4344 1 115 . 1 1 18 18 ILE HB H 1 1.60 0.02 . 1 . . . . . . . . 4344 1 116 . 1 1 18 18 ILE HG21 H 1 0.49 0.02 . 1 . . . . . . . . 4344 1 117 . 1 1 18 18 ILE HG22 H 1 0.49 0.02 . 1 . . . . . . . . 4344 1 118 . 1 1 18 18 ILE HG23 H 1 0.49 0.02 . 1 . . . . . . . . 4344 1 119 . 1 1 18 18 ILE HG12 H 1 0.45 0.02 . 2 . . . . . . . . 4344 1 120 . 1 1 18 18 ILE HG13 H 1 1.73 0.02 . 2 . . . . . . . . 4344 1 121 . 1 1 18 18 ILE HD11 H 1 0.05 0.02 . 1 . . . . . . . . 4344 1 122 . 1 1 18 18 ILE HD12 H 1 0.05 0.02 . 1 . . . . . . . . 4344 1 123 . 1 1 18 18 ILE HD13 H 1 0.05 0.02 . 1 . . . . . . . . 4344 1 124 . 1 1 19 19 GLU N N 15 118.3 0.05 . 1 . . . . . . . . 4344 1 125 . 1 1 19 19 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 4344 1 126 . 1 1 19 19 GLU HA H 1 3.61 0.02 . 1 . . . . . . . . 4344 1 127 . 1 1 19 19 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4344 1 128 . 1 1 19 19 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4344 1 129 . 1 1 19 19 GLU HG2 H 1 2.67 0.02 . 2 . . . . . . . . 4344 1 130 . 1 1 20 20 GLU N N 15 119.3 0.05 . 1 . . . . . . . . 4344 1 131 . 1 1 20 20 GLU H H 1 8.23 0.02 . 1 . . . . . . . . 4344 1 132 . 1 1 20 20 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4344 1 133 . 1 1 20 20 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4344 1 134 . 1 1 20 20 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4344 1 135 . 1 1 20 20 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 4344 1 136 . 1 1 20 20 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 4344 1 137 . 1 1 21 21 ALA N N 15 119.7 0.05 . 1 . . . . . . . . 4344 1 138 . 1 1 21 21 ALA H H 1 7.67 0.02 . 1 . . . . . . . . 4344 1 139 . 1 1 21 21 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 4344 1 140 . 1 1 21 21 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 141 . 1 1 21 21 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 142 . 1 1 21 21 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4344 1 143 . 1 1 22 22 VAL N N 15 116.9 0.05 . 1 . . . . . . . . 4344 1 144 . 1 1 22 22 VAL H H 1 8.65 0.02 . 1 . . . . . . . . 4344 1 145 . 1 1 22 22 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 4344 1 146 . 1 1 22 22 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 4344 1 147 . 1 1 22 22 VAL HG21 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 148 . 1 1 22 22 VAL HG22 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 149 . 1 1 22 22 VAL HG23 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 150 . 1 1 23 23 GLY N N 15 126.2 0.05 . 1 . . . . . . . . 4344 1 151 . 1 1 23 23 GLY H H 1 7.71 0.02 . 1 . . . . . . . . 4344 1 152 . 1 1 23 23 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 4344 1 153 . 1 1 23 23 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 4344 1 154 . 1 1 24 24 ARG N N 15 115.5 0.05 . 1 . . . . . . . . 4344 1 155 . 1 1 24 24 ARG H H 1 6.88 0.02 . 1 . . . . . . . . 4344 1 156 . 1 1 24 24 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4344 1 157 . 1 1 24 24 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4344 1 158 . 1 1 24 24 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4344 1 159 . 1 1 24 24 ARG HG2 H 1 1.75 0.02 . 2 . . . . . . . . 4344 1 160 . 1 1 24 24 ARG HD2 H 1 3.17 0.02 . 2 . . . . . . . . 4344 1 161 . 1 1 24 24 ARG HE H 1 7.34 0.02 . 1 . . . . . . . . 4344 1 162 . 1 1 25 25 ILE N N 15 123.8 0.05 . 1 . . . . . . . . 4344 1 163 . 1 1 25 25 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 4344 1 164 . 1 1 25 25 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 4344 1 165 . 1 1 25 25 ILE HB H 1 1.94 0.02 . 1 . . . . . . . . 4344 1 166 . 1 1 25 25 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 4344 1 167 . 1 1 25 25 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 4344 1 168 . 1 1 25 25 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 4344 1 169 . 1 1 25 25 ILE HG12 H 1 0.70 0.02 . 2 . . . . . . . . 4344 1 170 . 1 1 25 25 ILE HG13 H 1 0.95 0.02 . 2 . . . . . . . . 4344 1 171 . 1 1 25 25 ILE HD11 H 1 1.79 0.02 . 1 . . . . . . . . 4344 1 172 . 1 1 25 25 ILE HD12 H 1 1.79 0.02 . 1 . . . . . . . . 4344 1 173 . 1 1 25 25 ILE HD13 H 1 1.79 0.02 . 1 . . . . . . . . 4344 1 174 . 1 1 26 26 SER N N 15 124.8 0.05 . 1 . . . . . . . . 4344 1 175 . 1 1 26 26 SER H H 1 8.76 0.02 . 1 . . . . . . . . 4344 1 176 . 1 1 26 26 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 4344 1 177 . 1 1 26 26 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 4344 1 178 . 1 1 26 26 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 4344 1 179 . 1 1 27 27 GLY N N 15 113.5 0.05 . 1 . . . . . . . . 4344 1 180 . 1 1 27 27 GLY H H 1 8.68 0.02 . 1 . . . . . . . . 4344 1 181 . 1 1 27 27 GLY HA2 H 1 4.48 0.02 . 2 . . . . . . . . 4344 1 182 . 1 1 27 27 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4344 1 183 . 1 1 28 28 VAL N N 15 121.7 0.05 . 1 . . . . . . . . 4344 1 184 . 1 1 28 28 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 4344 1 185 . 1 1 28 28 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 4344 1 186 . 1 1 28 28 VAL HB H 1 2.38 0.02 . 1 . . . . . . . . 4344 1 187 . 1 1 28 28 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 4344 1 188 . 1 1 28 28 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 4344 1 189 . 1 1 28 28 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4344 1 190 . 1 1 28 28 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 4344 1 191 . 1 1 28 28 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 4344 1 192 . 1 1 28 28 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 4344 1 193 . 1 1 29 29 LYS N N 15 127.9 0.05 . 1 . . . . . . . . 4344 1 194 . 1 1 29 29 LYS H H 1 9.20 0.02 . 1 . . . . . . . . 4344 1 195 . 1 1 29 29 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4344 1 196 . 1 1 29 29 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . 4344 1 197 . 1 1 29 29 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4344 1 198 . 1 1 29 29 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 4344 1 199 . 1 1 30 30 LYS N N 15 117.6 0.05 . 1 . . . . . . . . 4344 1 200 . 1 1 30 30 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 4344 1 201 . 1 1 30 30 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 4344 1 202 . 1 1 30 30 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4344 1 203 . 1 1 30 30 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4344 1 204 . 1 1 30 30 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 4344 1 205 . 1 1 31 31 VAL N N 15 122.8 0.05 . 1 . . . . . . . . 4344 1 206 . 1 1 31 31 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 4344 1 207 . 1 1 31 31 VAL HA H 1 4.97 0.02 . 1 . . . . . . . . 4344 1 208 . 1 1 31 31 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 4344 1 209 . 1 1 31 31 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 210 . 1 1 31 31 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 211 . 1 1 31 31 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 212 . 1 1 31 31 VAL HG21 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 213 . 1 1 31 31 VAL HG22 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 214 . 1 1 31 31 VAL HG23 H 1 0.72 0.02 . 2 . . . . . . . . 4344 1 215 . 1 1 32 32 LYS N N 15 126.8 0.05 . 1 . . . . . . . . 4344 1 216 . 1 1 32 32 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 4344 1 217 . 1 1 32 32 LYS HA H 1 4.87 0.02 . 1 . . . . . . . . 4344 1 218 . 1 1 32 32 LYS HB2 H 1 1.62 0.02 . 2 . . . . . . . . 4344 1 219 . 1 1 32 32 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 4344 1 220 . 1 1 32 32 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 4344 1 221 . 1 1 32 32 LYS HD2 H 1 1.72 0.02 . 2 . . . . . . . . 4344 1 222 . 1 1 32 32 LYS HE2 H 1 2.93 0.02 . 2 . . . . . . . . 4344 1 223 . 1 1 33 33 VAL N N 15 129.3 0.05 . 1 . . . . . . . . 4344 1 224 . 1 1 33 33 VAL H H 1 10.02 0.02 . 1 . . . . . . . . 4344 1 225 . 1 1 33 33 VAL HA H 1 4.39 0.02 . 1 . . . . . . . . 4344 1 226 . 1 1 33 33 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 4344 1 227 . 1 1 33 33 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 4344 1 228 . 1 1 33 33 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 4344 1 229 . 1 1 33 33 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4344 1 230 . 1 1 33 33 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 231 . 1 1 33 33 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 232 . 1 1 33 33 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 233 . 1 1 34 34 GLN N N 15 127.2 0.05 . 1 . . . . . . . . 4344 1 234 . 1 1 34 34 GLN H H 1 8.96 0.02 . 1 . . . . . . . . 4344 1 235 . 1 1 34 34 GLN HA H 1 4.60 0.02 . 1 . . . . . . . . 4344 1 236 . 1 1 34 34 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4344 1 237 . 1 1 34 34 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4344 1 238 . 1 1 34 34 GLN HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4344 1 239 . 1 1 34 34 GLN HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4344 1 240 . 1 1 34 34 GLN NE2 N 15 109.7 0.05 . 1 . . . . . . . . 4344 1 241 . 1 1 34 34 GLN HE21 H 1 7.30 0.02 . 2 . . . . . . . . 4344 1 242 . 1 1 34 34 GLN HE22 H 1 6.82 0.02 . 2 . . . . . . . . 4344 1 243 . 1 1 35 35 LEU N N 15 126.5 0.05 . 1 . . . . . . . . 4344 1 244 . 1 1 35 35 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4344 1 245 . 1 1 35 35 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 4344 1 246 . 1 1 35 35 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 4344 1 247 . 1 1 35 35 LEU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4344 1 248 . 1 1 35 35 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 4344 1 249 . 1 1 35 35 LEU HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 250 . 1 1 35 35 LEU HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 251 . 1 1 35 35 LEU HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 252 . 1 1 35 35 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 253 . 1 1 35 35 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 254 . 1 1 35 35 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 4344 1 255 . 1 1 36 36 LYS N N 15 116.2 0.05 . 1 . . . . . . . . 4344 1 256 . 1 1 36 36 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4344 1 257 . 1 1 36 36 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4344 1 258 . 1 1 36 36 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4344 1 259 . 1 1 37 37 LYS N N 15 114.1 0.05 . 1 . . . . . . . . 4344 1 260 . 1 1 37 37 LYS H H 1 6.98 0.02 . 1 . . . . . . . . 4344 1 261 . 1 1 37 37 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4344 1 262 . 1 1 37 37 LYS HB2 H 1 1.49 0.02 . 2 . . . . . . . . 4344 1 263 . 1 1 37 37 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4344 1 264 . 1 1 37 37 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4344 1 265 . 1 1 37 37 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 4344 1 266 . 1 1 37 37 LYS HD2 H 1 1.59 0.02 . 2 . . . . . . . . 4344 1 267 . 1 1 37 37 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 4344 1 268 . 1 1 38 38 GLU N N 15 115.2 0.05 . 1 . . . . . . . . 4344 1 269 . 1 1 38 38 GLU H H 1 7.75 0.02 . 1 . . . . . . . . 4344 1 270 . 1 1 38 38 GLU HA H 1 3.54 0.02 . 1 . . . . . . . . 4344 1 271 . 1 1 38 38 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4344 1 272 . 1 1 38 38 GLU HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4344 1 273 . 1 1 38 38 GLU HG2 H 1 2.17 0.02 . 2 . . . . . . . . 4344 1 274 . 1 1 38 38 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 4344 1 275 . 1 1 39 39 LYS N N 15 115.2 0.05 . 1 . . . . . . . . 4344 1 276 . 1 1 39 39 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 4344 1 277 . 1 1 39 39 LYS HA H 1 5.62 0.02 . 1 . . . . . . . . 4344 1 278 . 1 1 39 39 LYS HB2 H 1 1.63 0.02 . 2 . . . . . . . . 4344 1 279 . 1 1 39 39 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4344 1 280 . 1 1 39 39 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 4344 1 281 . 1 1 39 39 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 4344 1 282 . 1 1 39 39 LYS HD2 H 1 1.49 0.02 . 2 . . . . . . . . 4344 1 283 . 1 1 39 39 LYS HD3 H 1 1.57 0.02 . 2 . . . . . . . . 4344 1 284 . 1 1 39 39 LYS HE2 H 1 2.78 0.02 . 2 . . . . . . . . 4344 1 285 . 1 1 39 39 LYS HE3 H 1 2.72 0.02 . 2 . . . . . . . . 4344 1 286 . 1 1 40 40 ALA N N 15 121.3 0.05 . 1 . . . . . . . . 4344 1 287 . 1 1 40 40 ALA H H 1 9.28 0.02 . 1 . . . . . . . . 4344 1 288 . 1 1 40 40 ALA HA H 1 5.23 0.02 . 1 . . . . . . . . 4344 1 289 . 1 1 40 40 ALA HB1 H 1 1.05 0.02 . 1 . . . . . . . . 4344 1 290 . 1 1 40 40 ALA HB2 H 1 1.05 0.02 . 1 . . . . . . . . 4344 1 291 . 1 1 40 40 ALA HB3 H 1 1.05 0.02 . 1 . . . . . . . . 4344 1 292 . 1 1 41 41 VAL N N 15 122.0 0.05 . 1 . . . . . . . . 4344 1 293 . 1 1 41 41 VAL H H 1 8.99 0.02 . 1 . . . . . . . . 4344 1 294 . 1 1 41 41 VAL HA H 1 4.89 0.02 . 1 . . . . . . . . 4344 1 295 . 1 1 41 41 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 4344 1 296 . 1 1 41 41 VAL HG11 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 297 . 1 1 41 41 VAL HG12 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 298 . 1 1 41 41 VAL HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4344 1 299 . 1 1 41 41 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 4344 1 300 . 1 1 41 41 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 4344 1 301 . 1 1 41 41 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 4344 1 302 . 1 1 42 42 VAL N N 15 127.5 0.05 . 1 . . . . . . . . 4344 1 303 . 1 1 42 42 VAL H H 1 9.23 0.02 . 1 . . . . . . . . 4344 1 304 . 1 1 42 42 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 4344 1 305 . 1 1 42 42 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 4344 1 306 . 1 1 42 42 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4344 1 307 . 1 1 42 42 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4344 1 308 . 1 1 42 42 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4344 1 309 . 1 1 42 42 VAL HG21 H 1 0.74 0.02 . 2 . . . . . . . . 4344 1 310 . 1 1 42 42 VAL HG22 H 1 0.74 0.02 . 2 . . . . . . . . 4344 1 311 . 1 1 42 42 VAL HG23 H 1 0.74 0.02 . 2 . . . . . . . . 4344 1 312 . 1 1 43 43 LYS N N 15 128.1 0.05 . 1 . . . . . . . . 4344 1 313 . 1 1 43 43 LYS H H 1 9.11 0.02 . 1 . . . . . . . . 4344 1 314 . 1 1 43 43 LYS HA H 1 4.88 0.02 . 1 . . . . . . . . 4344 1 315 . 1 1 43 43 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4344 1 316 . 1 1 43 43 LYS HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4344 1 317 . 1 1 43 43 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . 4344 1 318 . 1 1 43 43 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 4344 1 319 . 1 1 43 43 LYS HD2 H 1 1.59 0.02 . 2 . . . . . . . . 4344 1 320 . 1 1 43 43 LYS HD3 H 1 1.70 0.02 . 2 . . . . . . . . 4344 1 321 . 1 1 43 43 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . 4344 1 322 . 1 1 44 44 PHE N N 15 123.7 0.05 . 1 . . . . . . . . 4344 1 323 . 1 1 44 44 PHE H H 1 8.78 0.02 . 1 . . . . . . . . 4344 1 324 . 1 1 44 44 PHE HA H 1 5.32 0.02 . 1 . . . . . . . . 4344 1 325 . 1 1 44 44 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4344 1 326 . 1 1 44 44 PHE HB3 H 1 2.91 0.02 . 2 . . . . . . . . 4344 1 327 . 1 1 44 44 PHE HD1 H 1 6.95 0.02 . 1 . . . . . . . . 4344 1 328 . 1 1 44 44 PHE HD2 H 1 6.95 0.02 . 1 . . . . . . . . 4344 1 329 . 1 1 44 44 PHE HE1 H 1 7.41 0.02 . 1 . . . . . . . . 4344 1 330 . 1 1 44 44 PHE HE2 H 1 7.41 0.02 . 1 . . . . . . . . 4344 1 331 . 1 1 45 45 ASP N N 15 120.0 0.05 . 1 . . . . . . . . 4344 1 332 . 1 1 45 45 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 4344 1 333 . 1 1 45 45 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4344 1 334 . 1 1 45 45 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4344 1 335 . 1 1 45 45 ASP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4344 1 336 . 1 1 46 46 GLU N N 15 127.9 0.05 . 1 . . . . . . . . 4344 1 337 . 1 1 46 46 GLU H H 1 9.02 0.02 . 1 . . . . . . . . 4344 1 338 . 1 1 46 46 GLU HA H 1 4.83 0.02 . 1 . . . . . . . . 4344 1 339 . 1 1 46 46 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4344 1 340 . 1 1 46 46 GLU HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4344 1 341 . 1 1 46 46 GLU HG2 H 1 2.17 0.02 . 2 . . . . . . . . 4344 1 342 . 1 1 47 47 ALA N N 15 120.3 0.05 . 1 . . . . . . . . 4344 1 343 . 1 1 47 47 ALA H H 1 8.43 0.02 . 1 . . . . . . . . 4344 1 344 . 1 1 47 47 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4344 1 345 . 1 1 47 47 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4344 1 346 . 1 1 47 47 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4344 1 347 . 1 1 47 47 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4344 1 348 . 1 1 48 48 ASN N N 15 113.8 0.05 . 1 . . . . . . . . 4344 1 349 . 1 1 48 48 ASN H H 1 7.87 0.02 . 1 . . . . . . . . 4344 1 350 . 1 1 48 48 ASN HA H 1 4.90 0.02 . 1 . . . . . . . . 4344 1 351 . 1 1 48 48 ASN HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4344 1 352 . 1 1 48 48 ASN HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4344 1 353 . 1 1 48 48 ASN ND2 N 15 113.1 0.05 . 1 . . . . . . . . 4344 1 354 . 1 1 48 48 ASN HD21 H 1 6.94 0.02 . 2 . . . . . . . . 4344 1 355 . 1 1 48 48 ASN HD22 H 1 7.72 0.02 . 2 . . . . . . . . 4344 1 356 . 1 1 49 49 VAL N N 15 121.7 0.05 . 1 . . . . . . . . 4344 1 357 . 1 1 49 49 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 4344 1 358 . 1 1 49 49 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 4344 1 359 . 1 1 49 49 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 4344 1 360 . 1 1 49 49 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 361 . 1 1 49 49 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 362 . 1 1 49 49 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 363 . 1 1 49 49 VAL HG21 H 1 0.56 0.02 . 2 . . . . . . . . 4344 1 364 . 1 1 49 49 VAL HG22 H 1 0.56 0.02 . 2 . . . . . . . . 4344 1 365 . 1 1 49 49 VAL HG23 H 1 0.56 0.02 . 2 . . . . . . . . 4344 1 366 . 1 1 50 50 GLN N N 15 120.7 0.05 . 1 . . . . . . . . 4344 1 367 . 1 1 50 50 GLN H H 1 8.30 0.02 . 1 . . . . . . . . 4344 1 368 . 1 1 50 50 GLN HA H 1 4.81 0.02 . 1 . . . . . . . . 4344 1 369 . 1 1 50 50 GLN HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4344 1 370 . 1 1 50 50 GLN HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4344 1 371 . 1 1 50 50 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4344 1 372 . 1 1 50 50 GLN NE2 N 15 114.1 0.05 . 1 . . . . . . . . 4344 1 373 . 1 1 50 50 GLN HE21 H 1 7.65 0.02 . 2 . . . . . . . . 4344 1 374 . 1 1 50 50 GLN HE22 H 1 6.99 0.02 . 2 . . . . . . . . 4344 1 375 . 1 1 51 51 ALA N N 15 125.5 0.05 . 1 . . . . . . . . 4344 1 376 . 1 1 51 51 ALA H H 1 9.48 0.02 . 1 . . . . . . . . 4344 1 377 . 1 1 51 51 ALA HA H 1 3.82 0.02 . 1 . . . . . . . . 4344 1 378 . 1 1 51 51 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 4344 1 379 . 1 1 51 51 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4344 1 380 . 1 1 51 51 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4344 1 381 . 1 1 52 52 THR N N 15 108.3 0.05 . 1 . . . . . . . . 4344 1 382 . 1 1 52 52 THR H H 1 8.23 0.02 . 1 . . . . . . . . 4344 1 383 . 1 1 52 52 THR HA H 1 3.96 0.02 . 1 . . . . . . . . 4344 1 384 . 1 1 52 52 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4344 1 385 . 1 1 52 52 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4344 1 386 . 1 1 52 52 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4344 1 387 . 1 1 52 52 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4344 1 388 . 1 1 53 53 GLU N N 15 122.4 0.05 . 1 . . . . . . . . 4344 1 389 . 1 1 53 53 GLU H H 1 7.40 0.02 . 1 . . . . . . . . 4344 1 390 . 1 1 53 53 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4344 1 391 . 1 1 53 53 GLU HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4344 1 392 . 1 1 53 53 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4344 1 393 . 1 1 53 53 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 4344 1 394 . 1 1 54 54 ILE N N 15 121.1 0.05 . 1 . . . . . . . . 4344 1 395 . 1 1 54 54 ILE H H 1 7.06 0.02 . 1 . . . . . . . . 4344 1 396 . 1 1 54 54 ILE HA H 1 3.28 0.02 . 1 . . . . . . . . 4344 1 397 . 1 1 54 54 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 4344 1 398 . 1 1 54 54 ILE HG21 H 1 -0.04 0.02 . 1 . . . . . . . . 4344 1 399 . 1 1 54 54 ILE HG22 H 1 -0.04 0.02 . 1 . . . . . . . . 4344 1 400 . 1 1 54 54 ILE HG23 H 1 -0.04 0.02 . 1 . . . . . . . . 4344 1 401 . 1 1 54 54 ILE HG12 H 1 0.58 0.02 . 2 . . . . . . . . 4344 1 402 . 1 1 54 54 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 4344 1 403 . 1 1 54 54 ILE HD11 H 1 0.01 0.02 . 1 . . . . . . . . 4344 1 404 . 1 1 54 54 ILE HD12 H 1 0.01 0.02 . 1 . . . . . . . . 4344 1 405 . 1 1 54 54 ILE HD13 H 1 0.01 0.02 . 1 . . . . . . . . 4344 1 406 . 1 1 55 55 CYS N N 15 115.9 0.05 . 1 . . . . . . . . 4344 1 407 . 1 1 55 55 CYS H H 1 7.91 0.02 . 1 . . . . . . . . 4344 1 408 . 1 1 55 55 CYS HA H 1 3.57 0.02 . 1 . . . . . . . . 4344 1 409 . 1 1 55 55 CYS HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4344 1 410 . 1 1 55 55 CYS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4344 1 411 . 1 1 55 55 CYS HG H 1 2.22 0.02 . 1 . . . . . . . . 4344 1 412 . 1 1 56 56 GLN N N 15 117.6 0.05 . 1 . . . . . . . . 4344 1 413 . 1 1 56 56 GLN H H 1 8.02 0.02 . 1 . . . . . . . . 4344 1 414 . 1 1 56 56 GLN HA H 1 4.00 0.02 . 1 . . . . . . . . 4344 1 415 . 1 1 56 56 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4344 1 416 . 1 1 56 56 GLN HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4344 1 417 . 1 1 56 56 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 4344 1 418 . 1 1 56 56 GLN NE2 N 15 112.4 0.05 . 1 . . . . . . . . 4344 1 419 . 1 1 56 56 GLN HE21 H 1 7.75 0.02 . 2 . . . . . . . . 4344 1 420 . 1 1 56 56 GLN HE22 H 1 6.91 0.02 . 2 . . . . . . . . 4344 1 421 . 1 1 57 57 ALA N N 15 120.7 0.05 . 1 . . . . . . . . 4344 1 422 . 1 1 57 57 ALA H H 1 7.43 0.02 . 1 . . . . . . . . 4344 1 423 . 1 1 57 57 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 4344 1 424 . 1 1 57 57 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 425 . 1 1 57 57 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 426 . 1 1 57 57 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 427 . 1 1 58 58 ILE N N 15 116.9 0.05 . 1 . . . . . . . . 4344 1 428 . 1 1 58 58 ILE H H 1 7.38 0.02 . 1 . . . . . . . . 4344 1 429 . 1 1 58 58 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 4344 1 430 . 1 1 58 58 ILE HB H 1 1.64 0.02 . 1 . . . . . . . . 4344 1 431 . 1 1 58 58 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4344 1 432 . 1 1 58 58 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4344 1 433 . 1 1 58 58 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4344 1 434 . 1 1 58 58 ILE HG12 H 1 0.16 0.02 . 2 . . . . . . . . 4344 1 435 . 1 1 58 58 ILE HG13 H 1 0.37 0.02 . 2 . . . . . . . . 4344 1 436 . 1 1 58 58 ILE HD11 H 1 1.70 0.02 . 1 . . . . . . . . 4344 1 437 . 1 1 58 58 ILE HD12 H 1 1.70 0.02 . 1 . . . . . . . . 4344 1 438 . 1 1 58 58 ILE HD13 H 1 1.70 0.02 . 1 . . . . . . . . 4344 1 439 . 1 1 59 59 ASN N N 15 121.3 0.05 . 1 . . . . . . . . 4344 1 440 . 1 1 59 59 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 4344 1 441 . 1 1 59 59 ASN HA H 1 5.04 0.02 . 1 . . . . . . . . 4344 1 442 . 1 1 59 59 ASN HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4344 1 443 . 1 1 59 59 ASN HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4344 1 444 . 1 1 59 59 ASN ND2 N 15 107.9 0.05 . 1 . . . . . . . . 4344 1 445 . 1 1 59 59 ASN HD21 H 1 7.27 0.02 . 2 . . . . . . . . 4344 1 446 . 1 1 59 59 ASN HD22 H 1 6.66 0.02 . 2 . . . . . . . . 4344 1 447 . 1 1 60 60 GLU N N 15 120.7 0.05 . 1 . . . . . . . . 4344 1 448 . 1 1 60 60 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 4344 1 449 . 1 1 60 60 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 4344 1 450 . 1 1 60 60 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4344 1 451 . 1 1 61 61 LEU N N 15 116.9 0.05 . 1 . . . . . . . . 4344 1 452 . 1 1 61 61 LEU H H 1 7.37 0.02 . 1 . . . . . . . . 4344 1 453 . 1 1 61 61 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4344 1 454 . 1 1 61 61 LEU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4344 1 455 . 1 1 61 61 LEU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4344 1 456 . 1 1 61 61 LEU HG H 1 2.07 0.02 . 1 . . . . . . . . 4344 1 457 . 1 1 61 61 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4344 1 458 . 1 1 61 61 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4344 1 459 . 1 1 61 61 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4344 1 460 . 1 1 61 61 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 461 . 1 1 61 61 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 462 . 1 1 61 61 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4344 1 463 . 1 1 62 62 GLY N N 15 126.2 0.05 . 1 . . . . . . . . 4344 1 464 . 1 1 62 62 GLY H H 1 7.90 0.02 . 1 . . . . . . . . 4344 1 465 . 1 1 62 62 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4344 1 466 . 1 1 62 62 GLY HA3 H 1 3.55 0.02 . 2 . . . . . . . . 4344 1 467 . 1 1 63 63 TYR N N 15 119.3 0.05 . 1 . . . . . . . . 4344 1 468 . 1 1 63 63 TYR H H 1 6.50 0.02 . 1 . . . . . . . . 4344 1 469 . 1 1 63 63 TYR HA H 1 4.73 0.02 . 1 . . . . . . . . 4344 1 470 . 1 1 63 63 TYR HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4344 1 471 . 1 1 63 63 TYR HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4344 1 472 . 1 1 63 63 TYR HD1 H 1 6.80 0.02 . 1 . . . . . . . . 4344 1 473 . 1 1 63 63 TYR HD2 H 1 6.80 0.02 . 1 . . . . . . . . 4344 1 474 . 1 1 63 63 TYR HE1 H 1 6.87 0.02 . 1 . . . . . . . . 4344 1 475 . 1 1 63 63 TYR HE2 H 1 6.87 0.02 . 1 . . . . . . . . 4344 1 476 . 1 1 64 64 GLN N N 15 116.5 0.05 . 1 . . . . . . . . 4344 1 477 . 1 1 64 64 GLN H H 1 8.08 0.02 . 1 . . . . . . . . 4344 1 478 . 1 1 64 64 GLN HA H 1 4.86 0.02 . 1 . . . . . . . . 4344 1 479 . 1 1 64 64 GLN HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4344 1 480 . 1 1 64 64 GLN HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4344 1 481 . 1 1 64 64 GLN NE2 N 15 112.1 0.05 . 1 . . . . . . . . 4344 1 482 . 1 1 64 64 GLN HE21 H 1 7.50 0.02 . 2 . . . . . . . . 4344 1 483 . 1 1 64 64 GLN HE22 H 1 6.75 0.02 . 2 . . . . . . . . 4344 1 484 . 1 1 65 65 ALA N N 15 109.3 0.05 . 1 . . . . . . . . 4344 1 485 . 1 1 65 65 ALA H H 1 9.73 0.02 . 1 . . . . . . . . 4344 1 486 . 1 1 65 65 ALA HA H 1 6.02 0.02 . 1 . . . . . . . . 4344 1 487 . 1 1 65 65 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 488 . 1 1 65 65 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 489 . 1 1 65 65 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4344 1 490 . 1 1 66 66 GLU N N 15 119.0 0.05 . 1 . . . . . . . . 4344 1 491 . 1 1 66 66 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 4344 1 492 . 1 1 66 66 GLU HA H 1 4.84 0.02 . 1 . . . . . . . . 4344 1 493 . 1 1 66 66 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4344 1 494 . 1 1 66 66 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4344 1 495 . 1 1 66 66 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4344 1 496 . 1 1 66 66 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 4344 1 497 . 1 1 67 67 VAL N N 15 123.4 0.05 . 1 . . . . . . . . 4344 1 498 . 1 1 67 67 VAL H H 1 8.83 0.02 . 1 . . . . . . . . 4344 1 499 . 1 1 67 67 VAL HA H 1 3.68 0.02 . 1 . . . . . . . . 4344 1 500 . 1 1 67 67 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 4344 1 501 . 1 1 67 67 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 4344 1 502 . 1 1 67 67 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 4344 1 503 . 1 1 67 67 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4344 1 504 . 1 1 67 67 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 505 . 1 1 67 67 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 506 . 1 1 67 67 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 4344 1 507 . 1 1 68 68 ILE N N 15 107.9 0.05 . 1 . . . . . . . . 4344 1 508 . 1 1 68 68 ILE H H 1 7.47 0.02 . 1 . . . . . . . . 4344 1 509 . 1 1 68 68 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 4344 1 510 . 1 1 68 68 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 4344 1 511 . 1 1 68 68 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4344 1 512 . 1 1 68 68 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4344 1 513 . 1 1 68 68 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4344 1 514 . 1 1 68 68 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 4344 1 515 . 1 1 68 68 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4344 1 516 . 1 1 68 68 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4344 1 517 . 1 1 68 68 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4344 1 stop_ save_