data_5684 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5684 _Entry.Title ; 1H and 15N Assigned Chemical Shifts for MTH1821 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-03 _Entry.Accession_date 2003-02-03 _Entry.Last_release_date 2003-03-25 _Entry.Original_release_date 2003-03-25 _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 Dong-hee Lee . . . 5684 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5684 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 274 5684 '15N chemical shifts' 90 5684 '1H chemical shifts' 341 5684 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 . . 2003-03-25 2003-02-03 original author . 5684 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5684 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H and 15N Assigned Chemical Shifts for MTH1821' _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _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 2003 _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 Dong-hee Lee . . . 5684 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH1821 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH1821 _Assembly.Entry_ID 5684 _Assembly.ID 1 _Assembly.Name 'MTH1821 monomer' _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 'not present' _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 5684 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 'MTH1821 monomer' 1 $MTH1821 . . . native . . . . . 5684 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MTH1821 abbreviation 5684 1 'MTH1821 monomer' system 5684 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1821 _Entity.Sf_category entity _Entity.Sf_framecode MTH1821 _Entity.Entry_ID 5684 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Methanobacterium Thermoautotrophicum H1821' _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 ; MVFYLKVKVEDFGFREDMGL NYVRYRVSGLDEELTEKLIE RLDEDTERDDGDLIITVFYE REYFPFGSEESKVKMADFIA REEIEMMVFLSSVLED ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 BMRB 16897 . MTH1821 . . . . . 100.00 96 100.00 100.00 5.18e-58 . . . . 5684 1 2 no PDB 2KX2 . "The Solution Structure Of Mth1821" . . . . . 100.00 96 100.00 100.00 5.18e-58 . . . . 5684 1 3 no GB AAB86287 . "unknown [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 96 100.00 100.00 5.18e-58 . . . . 5684 1 4 no REF NP_276927 . "hypothetical protein MTH1821 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 96 100.00 100.00 5.18e-58 . . . . 5684 1 5 no REF WP_010877423 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 100.00 96 100.00 100.00 5.18e-58 . . . . 5684 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Methanobacterium Thermoautotrophicum H1821' common 5684 1 MTH1821 abbreviation 5684 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5684 1 2 . VAL . 5684 1 3 . PHE . 5684 1 4 . TYR . 5684 1 5 . LEU . 5684 1 6 . LYS . 5684 1 7 . VAL . 5684 1 8 . LYS . 5684 1 9 . VAL . 5684 1 10 . GLU . 5684 1 11 . ASP . 5684 1 12 . PHE . 5684 1 13 . GLY . 5684 1 14 . PHE . 5684 1 15 . ARG . 5684 1 16 . GLU . 5684 1 17 . ASP . 5684 1 18 . MET . 5684 1 19 . GLY . 5684 1 20 . LEU . 5684 1 21 . ASN . 5684 1 22 . TYR . 5684 1 23 . VAL . 5684 1 24 . ARG . 5684 1 25 . TYR . 5684 1 26 . ARG . 5684 1 27 . VAL . 5684 1 28 . SER . 5684 1 29 . GLY . 5684 1 30 . LEU . 5684 1 31 . ASP . 5684 1 32 . GLU . 5684 1 33 . GLU . 5684 1 34 . LEU . 5684 1 35 . THR . 5684 1 36 . GLU . 5684 1 37 . LYS . 5684 1 38 . LEU . 5684 1 39 . ILE . 5684 1 40 . GLU . 5684 1 41 . ARG . 5684 1 42 . LEU . 5684 1 43 . ASP . 5684 1 44 . GLU . 5684 1 45 . ASP . 5684 1 46 . THR . 5684 1 47 . GLU . 5684 1 48 . ARG . 5684 1 49 . ASP . 5684 1 50 . ASP . 5684 1 51 . GLY . 5684 1 52 . ASP . 5684 1 53 . LEU . 5684 1 54 . ILE . 5684 1 55 . ILE . 5684 1 56 . THR . 5684 1 57 . VAL . 5684 1 58 . PHE . 5684 1 59 . TYR . 5684 1 60 . GLU . 5684 1 61 . ARG . 5684 1 62 . GLU . 5684 1 63 . TYR . 5684 1 64 . PHE . 5684 1 65 . PRO . 5684 1 66 . PHE . 5684 1 67 . GLY . 5684 1 68 . SER . 5684 1 69 . GLU . 5684 1 70 . GLU . 5684 1 71 . SER . 5684 1 72 . LYS . 5684 1 73 . VAL . 5684 1 74 . LYS . 5684 1 75 . MET . 5684 1 76 . ALA . 5684 1 77 . ASP . 5684 1 78 . PHE . 5684 1 79 . ILE . 5684 1 80 . ALA . 5684 1 81 . ARG . 5684 1 82 . GLU . 5684 1 83 . GLU . 5684 1 84 . ILE . 5684 1 85 . GLU . 5684 1 86 . MET . 5684 1 87 . MET . 5684 1 88 . VAL . 5684 1 89 . PHE . 5684 1 90 . LEU . 5684 1 91 . SER . 5684 1 92 . SER . 5684 1 93 . VAL . 5684 1 94 . LEU . 5684 1 95 . GLU . 5684 1 96 . ASP . 5684 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5684 1 . VAL 2 2 5684 1 . PHE 3 3 5684 1 . TYR 4 4 5684 1 . LEU 5 5 5684 1 . LYS 6 6 5684 1 . VAL 7 7 5684 1 . LYS 8 8 5684 1 . VAL 9 9 5684 1 . GLU 10 10 5684 1 . ASP 11 11 5684 1 . PHE 12 12 5684 1 . GLY 13 13 5684 1 . PHE 14 14 5684 1 . ARG 15 15 5684 1 . GLU 16 16 5684 1 . ASP 17 17 5684 1 . MET 18 18 5684 1 . GLY 19 19 5684 1 . LEU 20 20 5684 1 . ASN 21 21 5684 1 . TYR 22 22 5684 1 . VAL 23 23 5684 1 . ARG 24 24 5684 1 . TYR 25 25 5684 1 . ARG 26 26 5684 1 . VAL 27 27 5684 1 . SER 28 28 5684 1 . GLY 29 29 5684 1 . LEU 30 30 5684 1 . ASP 31 31 5684 1 . GLU 32 32 5684 1 . GLU 33 33 5684 1 . LEU 34 34 5684 1 . THR 35 35 5684 1 . GLU 36 36 5684 1 . LYS 37 37 5684 1 . LEU 38 38 5684 1 . ILE 39 39 5684 1 . GLU 40 40 5684 1 . ARG 41 41 5684 1 . LEU 42 42 5684 1 . ASP 43 43 5684 1 . GLU 44 44 5684 1 . ASP 45 45 5684 1 . THR 46 46 5684 1 . GLU 47 47 5684 1 . ARG 48 48 5684 1 . ASP 49 49 5684 1 . ASP 50 50 5684 1 . GLY 51 51 5684 1 . ASP 52 52 5684 1 . LEU 53 53 5684 1 . ILE 54 54 5684 1 . ILE 55 55 5684 1 . THR 56 56 5684 1 . VAL 57 57 5684 1 . PHE 58 58 5684 1 . TYR 59 59 5684 1 . GLU 60 60 5684 1 . ARG 61 61 5684 1 . GLU 62 62 5684 1 . TYR 63 63 5684 1 . PHE 64 64 5684 1 . PRO 65 65 5684 1 . PHE 66 66 5684 1 . GLY 67 67 5684 1 . SER 68 68 5684 1 . GLU 69 69 5684 1 . GLU 70 70 5684 1 . SER 71 71 5684 1 . LYS 72 72 5684 1 . VAL 73 73 5684 1 . LYS 74 74 5684 1 . MET 75 75 5684 1 . ALA 76 76 5684 1 . ASP 77 77 5684 1 . PHE 78 78 5684 1 . ILE 79 79 5684 1 . ALA 80 80 5684 1 . ARG 81 81 5684 1 . GLU 82 82 5684 1 . GLU 83 83 5684 1 . ILE 84 84 5684 1 . GLU 85 85 5684 1 . MET 86 86 5684 1 . MET 87 87 5684 1 . VAL 88 88 5684 1 . PHE 89 89 5684 1 . LEU 90 90 5684 1 . SER 91 91 5684 1 . SER 92 92 5684 1 . VAL 93 93 5684 1 . LEU 94 94 5684 1 . GLU 95 95 5684 1 . ASP 96 96 5684 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 5684 _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 $MTH1821 . 183925 . . 'Methanobacteria thermoautotrophicum' 'Methanobacteria thermoautotrophicum' . . Archaea . Methanobacteria thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 5684 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 5684 _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 $MTH1821 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5684 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methanobacterium Thermoautotrophicum H1821' . . . 1 $MTH1821 . . 1 . . mM . . . . 5684 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5684 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.6 0.2 na 5684 1 temperature 298 1 K 5684 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5684 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 5684 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 5684 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 5684 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 3 13C,15N-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5684 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 5684 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5684 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5684 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 13C,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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5684 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _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 5684 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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 5684 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _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 5684 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-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_ #################### # 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 5684 _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 . 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal spherical parallel . . . . . . 5684 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5684 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 '1H-15N NOESY' 1 $sample_1 . 5684 1 2 '1H-15N TOCSY' 1 $sample_1 . 5684 1 3 13C,15N-NOESY 1 $sample_1 . 5684 1 4 HNCACB 1 $sample_1 . 5684 1 5 CBCACONH 1 $sample_1 . 5684 1 6 HNCO 1 $sample_1 . 5684 1 7 HCCH-TOCSY 1 $sample_1 . 5684 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 MET CA C 13 50.44 1.875 . 1 . . . . . . . . 5684 1 2 . 1 1 1 1 MET CB C 13 30.11 1.875 . 1 . . . . . . . . 5684 1 3 . 1 1 2 2 VAL H H 1 7.89 0.009 . 1 . . . . . . . . 5684 1 4 . 1 1 2 2 VAL HA H 1 3.94 0.009 . 1 . . . . . . . . 5684 1 5 . 1 1 2 2 VAL HB H 1 1.82 0.009 . 1 . . . . . . . . 5684 1 6 . 1 1 2 2 VAL HG11 H 1 0.72 0.009 . 2 . . . . . . . . 5684 1 7 . 1 1 2 2 VAL HG12 H 1 0.72 0.009 . 2 . . . . . . . . 5684 1 8 . 1 1 2 2 VAL HG13 H 1 0.72 0.009 . 2 . . . . . . . . 5684 1 9 . 1 1 2 2 VAL C C 13 175.6 1.875 . 1 . . . . . . . . 5684 1 10 . 1 1 2 2 VAL CA C 13 60.42 1.875 . 1 . . . . . . . . 5684 1 11 . 1 1 2 2 VAL CB C 13 30.77 1.875 . 1 . . . . . . . . 5684 1 12 . 1 1 2 2 VAL N N 15 120.79 2 . 1 . . . . . . . . 5684 1 13 . 1 1 3 3 PHE H H 1 7.87 0.009 . 1 . . . . . . . . 5684 1 14 . 1 1 3 3 PHE HA H 1 4.2 0.009 . 1 . . . . . . . . 5684 1 15 . 1 1 3 3 PHE HB2 H 1 2.9 0.009 . 2 . . . . . . . . 5684 1 16 . 1 1 3 3 PHE C C 13 175.2 1.875 . 1 . . . . . . . . 5684 1 17 . 1 1 3 3 PHE CA C 13 55.04 1.875 . 1 . . . . . . . . 5684 1 18 . 1 1 3 3 PHE CB C 13 38.39 1.875 . 1 . . . . . . . . 5684 1 19 . 1 1 3 3 PHE N N 15 121.6 2 . 1 . . . . . . . . 5684 1 20 . 1 1 4 4 TYR H H 1 8.36 0.009 . 1 . . . . . . . . 5684 1 21 . 1 1 4 4 TYR HA H 1 4.67 0.009 . 1 . . . . . . . . 5684 1 22 . 1 1 4 4 TYR HB2 H 1 2.96 0.009 . 2 . . . . . . . . 5684 1 23 . 1 1 4 4 TYR C C 13 174.7 1.875 . 1 . . . . . . . . 5684 1 24 . 1 1 4 4 TYR CA C 13 55.24 1.875 . 1 . . . . . . . . 5684 1 25 . 1 1 4 4 TYR CB C 13 36.53 1.875 . 1 . . . . . . . . 5684 1 26 . 1 1 4 4 TYR N N 15 120.66 2 . 1 . . . . . . . . 5684 1 27 . 1 1 5 5 LEU H H 1 7.51 0.009 . 1 . . . . . . . . 5684 1 28 . 1 1 5 5 LEU HA H 1 4.56 0.009 . 1 . . . . . . . . 5684 1 29 . 1 1 5 5 LEU HB2 H 1 1.46 0.009 . 2 . . . . . . . . 5684 1 30 . 1 1 5 5 LEU HG H 1 0.75 0.009 . 1 . . . . . . . . 5684 1 31 . 1 1 5 5 LEU C C 13 174.1 1.875 . 1 . . . . . . . . 5684 1 32 . 1 1 5 5 LEU CA C 13 52.87 1.875 . 1 . . . . . . . . 5684 1 33 . 1 1 5 5 LEU CB C 13 41.63 1.875 . 1 . . . . . . . . 5684 1 34 . 1 1 5 5 LEU N N 15 121.72 2 . 1 . . . . . . . . 5684 1 35 . 1 1 6 6 LYS H H 1 8.35 0.009 . 1 . . . . . . . . 5684 1 36 . 1 1 6 6 LYS HA H 1 4.62 0.009 . 1 . . . . . . . . 5684 1 37 . 1 1 6 6 LYS HB2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 38 . 1 1 6 6 LYS HG2 H 1 1.34 0.009 . 2 . . . . . . . . 5684 1 39 . 1 1 6 6 LYS C C 13 175.2 1.875 . 1 . . . . . . . . 5684 1 40 . 1 1 6 6 LYS CA C 13 53.09 1.875 . 1 . . . . . . . . 5684 1 41 . 1 1 6 6 LYS CB C 13 32.79 1.875 . 1 . . . . . . . . 5684 1 42 . 1 1 6 6 LYS N N 15 122.6 2 . 1 . . . . . . . . 5684 1 43 . 1 1 7 7 VAL H H 1 8.29 0.009 . 1 . . . . . . . . 5684 1 44 . 1 1 7 7 VAL HA H 1 4.92 0.009 . 1 . . . . . . . . 5684 1 45 . 1 1 7 7 VAL HB H 1 1.98 0.009 . 1 . . . . . . . . 5684 1 46 . 1 1 7 7 VAL HG11 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 47 . 1 1 7 7 VAL HG12 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 48 . 1 1 7 7 VAL HG13 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 49 . 1 1 7 7 VAL C C 13 174.6 1.875 . 1 . . . . . . . . 5684 1 50 . 1 1 7 7 VAL CA C 13 58.89 1.875 . 1 . . . . . . . . 5684 1 51 . 1 1 7 7 VAL CB C 13 32.52 1.875 . 1 . . . . . . . . 5684 1 52 . 1 1 7 7 VAL N N 15 123.4 2 . 1 . . . . . . . . 5684 1 53 . 1 1 8 8 LYS H H 1 8.82 0.009 . 1 . . . . . . . . 5684 1 54 . 1 1 8 8 LYS HA H 1 5.09 0.009 . 1 . . . . . . . . 5684 1 55 . 1 1 8 8 LYS HB2 H 1 1.79 0.009 . 2 . . . . . . . . 5684 1 56 . 1 1 8 8 LYS HG2 H 1 1.44 0.009 . 2 . . . . . . . . 5684 1 57 . 1 1 8 8 LYS C C 13 174 1.875 . 1 . . . . . . . . 5684 1 58 . 1 1 8 8 LYS CA C 13 50.98 1.875 . 1 . . . . . . . . 5684 1 59 . 1 1 8 8 LYS CB C 13 34.59 1.875 . 1 . . . . . . . . 5684 1 60 . 1 1 8 8 LYS N N 15 125.75 2 . 1 . . . . . . . . 5684 1 61 . 1 1 9 9 VAL H H 1 10.33 0.009 . 1 . . . . . . . . 5684 1 62 . 1 1 9 9 VAL HA H 1 3.9 0.009 . 1 . . . . . . . . 5684 1 63 . 1 1 9 9 VAL HB H 1 1.99 0.009 . 1 . . . . . . . . 5684 1 64 . 1 1 9 9 VAL HG11 H 1 0.8 0.009 . 2 . . . . . . . . 5684 1 65 . 1 1 9 9 VAL HG12 H 1 0.8 0.009 . 2 . . . . . . . . 5684 1 66 . 1 1 9 9 VAL HG13 H 1 0.8 0.009 . 2 . . . . . . . . 5684 1 67 . 1 1 9 9 VAL C C 13 176.9 1.875 . 1 . . . . . . . . 5684 1 68 . 1 1 9 9 VAL CA C 13 62.67 1.875 . 1 . . . . . . . . 5684 1 69 . 1 1 9 9 VAL CB C 13 29.67 1.875 . 1 . . . . . . . . 5684 1 70 . 1 1 9 9 VAL N N 15 126.96 2 . 1 . . . . . . . . 5684 1 71 . 1 1 10 10 GLU H H 1 9.37 0.009 . 1 . . . . . . . . 5684 1 72 . 1 1 10 10 GLU HA H 1 4.49 0.009 . 1 . . . . . . . . 5684 1 73 . 1 1 10 10 GLU HB2 H 1 1.81 0.009 . 2 . . . . . . . . 5684 1 74 . 1 1 10 10 GLU C C 13 175.2 1.875 . 1 . . . . . . . . 5684 1 75 . 1 1 10 10 GLU CA C 13 55.32 1.875 . 1 . . . . . . . . 5684 1 76 . 1 1 10 10 GLU CB C 13 29.72 1.875 . 1 . . . . . . . . 5684 1 77 . 1 1 10 10 GLU N N 15 131.33 2 . 1 . . . . . . . . 5684 1 78 . 1 1 11 11 ASP H H 1 7.84 0.009 . 1 . . . . . . . . 5684 1 79 . 1 1 11 11 ASP HA H 1 4.5 0.009 . 1 . . . . . . . . 5684 1 80 . 1 1 11 11 ASP HB2 H 1 2.78 0.009 . 2 . . . . . . . . 5684 1 81 . 1 1 11 11 ASP C C 13 175.6 1.875 . 1 . . . . . . . . 5684 1 82 . 1 1 11 11 ASP CA C 13 51.32 1.875 . 1 . . . . . . . . 5684 1 83 . 1 1 11 11 ASP CB C 13 41 1.875 . 1 . . . . . . . . 5684 1 84 . 1 1 11 11 ASP N N 15 113.93 2 . 1 . . . . . . . . 5684 1 85 . 1 1 12 12 PHE H H 1 7.53 0.009 . 1 . . . . . . . . 5684 1 86 . 1 1 12 12 PHE HA H 1 4.73 0.009 . 1 . . . . . . . . 5684 1 87 . 1 1 12 12 PHE HB2 H 1 3.29 0.009 . 2 . . . . . . . . 5684 1 88 . 1 1 12 12 PHE C C 13 172.8 1.875 . 1 . . . . . . . . 5684 1 89 . 1 1 12 12 PHE CA C 13 53.92 1.875 . 1 . . . . . . . . 5684 1 90 . 1 1 12 12 PHE CB C 13 37.78 1.875 . 1 . . . . . . . . 5684 1 91 . 1 1 12 12 PHE N N 15 113.3 2 . 1 . . . . . . . . 5684 1 92 . 1 1 13 13 GLY HA2 H 1 4.2 0.009 . 1 . . . . . . . . 5684 1 93 . 1 1 13 13 GLY C C 13 173.5 1.875 . 1 . . . . . . . . 5684 1 94 . 1 1 13 13 GLY CA C 13 43.67 1.875 . 1 . . . . . . . . 5684 1 95 . 1 1 13 13 GLY N N 15 104.68 2 . 1 . . . . . . . . 5684 1 96 . 1 1 14 14 PHE H H 1 8.22 0.009 . 1 . . . . . . . . 5684 1 97 . 1 1 14 14 PHE HB2 H 1 3.06 0.009 . 2 . . . . . . . . 5684 1 98 . 1 1 14 14 PHE C C 13 178.9 1.875 . 1 . . . . . . . . 5684 1 99 . 1 1 14 14 PHE CA C 13 55.25 1.875 . 1 . . . . . . . . 5684 1 100 . 1 1 14 14 PHE CB C 13 40.45 1.875 . 1 . . . . . . . . 5684 1 101 . 1 1 14 14 PHE N N 15 116.4 2 . 1 . . . . . . . . 5684 1 102 . 1 1 15 15 ARG H H 1 8.3 0.009 . 1 . . . . . . . . 5684 1 103 . 1 1 15 15 ARG HA H 1 4.62 0.009 . 1 . . . . . . . . 5684 1 104 . 1 1 15 15 ARG HB2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 105 . 1 1 15 15 ARG C C 13 174.3 1.875 . 1 . . . . . . . . 5684 1 106 . 1 1 15 15 ARG CA C 13 51.13 1.875 . 1 . . . . . . . . 5684 1 107 . 1 1 15 15 ARG CB C 13 28.06 1.875 . 1 . . . . . . . . 5684 1 108 . 1 1 15 15 ARG N N 15 127.69 2 . 1 . . . . . . . . 5684 1 109 . 1 1 16 16 GLU HA H 1 4.2 0.009 . 1 . . . . . . . . 5684 1 110 . 1 1 16 16 GLU HB2 H 1 1.93 0.009 . 1 . . . . . . . . 5684 1 111 . 1 1 16 16 GLU CA C 13 57.31 1.875 . 1 . . . . . . . . 5684 1 112 . 1 1 16 16 GLU CB C 13 27.47 1.875 . 1 . . . . . . . . 5684 1 113 . 1 1 17 17 ASP H H 1 8.92 0.009 . 1 . . . . . . . . 5684 1 114 . 1 1 17 17 ASP HA H 1 4.27 0.009 . 1 . . . . . . . . 5684 1 115 . 1 1 17 17 ASP HB2 H 1 2.63 0.009 . 2 . . . . . . . . 5684 1 116 . 1 1 17 17 ASP C C 13 177.5 1.875 . 1 . . . . . . . . 5684 1 117 . 1 1 17 17 ASP CA C 13 53.86 1.875 . 1 . . . . . . . . 5684 1 118 . 1 1 17 17 ASP CB C 13 36.63 1.875 . 1 . . . . . . . . 5684 1 119 . 1 1 17 17 ASP N N 15 116.2 2 . 1 . . . . . . . . 5684 1 120 . 1 1 18 18 MET H H 1 7.09 0.009 . 1 . . . . . . . . 5684 1 121 . 1 1 18 18 MET HA H 1 4.39 0.009 . 1 . . . . . . . . 5684 1 122 . 1 1 18 18 MET HB2 H 1 1.43 0.009 . 2 . . . . . . . . 5684 1 123 . 1 1 18 18 MET HB3 H 1 1.77 0.009 . 2 . . . . . . . . 5684 1 124 . 1 1 18 18 MET HG2 H 1 2.16 0.009 . 1 . . . . . . . . 5684 1 125 . 1 1 18 18 MET C C 13 176.9 1.875 . 1 . . . . . . . . 5684 1 126 . 1 1 18 18 MET CA C 13 53.05 1.875 . 1 . . . . . . . . 5684 1 127 . 1 1 18 18 MET CB C 13 32.95 1.875 . 1 . . . . . . . . 5684 1 128 . 1 1 18 18 MET N N 15 115.91 2 . 1 . . . . . . . . 5684 1 129 . 1 1 19 19 GLY H H 1 8.03 0.009 . 1 . . . . . . . . 5684 1 130 . 1 1 19 19 GLY HA2 H 1 3.71 0.009 . 2 . . . . . . . . 5684 1 131 . 1 1 19 19 GLY C C 13 176.5 1.875 . 1 . . . . . . . . 5684 1 132 . 1 1 19 19 GLY CA C 13 44.33 1.875 . 1 . . . . . . . . 5684 1 133 . 1 1 19 19 GLY N N 15 108.25 2 . 1 . . . . . . . . 5684 1 134 . 1 1 20 20 LEU H H 1 6.5 0.009 . 1 . . . . . . . . 5684 1 135 . 1 1 20 20 LEU HA H 1 4.91 0.009 . 1 . . . . . . . . 5684 1 136 . 1 1 20 20 LEU HB2 H 1 1.92 0.009 . 2 . . . . . . . . 5684 1 137 . 1 1 20 20 LEU HG H 1 1.27 0.009 . 1 . . . . . . . . 5684 1 138 . 1 1 20 20 LEU C C 13 173.7 1.875 . 1 . . . . . . . . 5684 1 139 . 1 1 20 20 LEU CA C 13 51.27 1.875 . 1 . . . . . . . . 5684 1 140 . 1 1 20 20 LEU CB C 13 41.62 1.875 . 1 . . . . . . . . 5684 1 141 . 1 1 20 20 LEU N N 15 115.72 2 . 1 . . . . . . . . 5684 1 142 . 1 1 21 21 ASN H H 1 8.53 0.009 . 1 . . . . . . . . 5684 1 143 . 1 1 21 21 ASN HA H 1 5.5 0.009 . 1 . . . . . . . . 5684 1 144 . 1 1 21 21 ASN HB2 H 1 1.99 0.009 . 2 . . . . . . . . 5684 1 145 . 1 1 21 21 ASN C C 13 176.1 1.875 . 1 . . . . . . . . 5684 1 146 . 1 1 21 21 ASN CA C 13 52 1.875 . 1 . . . . . . . . 5684 1 147 . 1 1 21 21 ASN CB C 13 39.86 1.875 . 1 . . . . . . . . 5684 1 148 . 1 1 21 21 ASN N N 15 118.17 2 . 1 . . . . . . . . 5684 1 149 . 1 1 22 22 TYR H H 1 8.7 0.009 . 1 . . . . . . . . 5684 1 150 . 1 1 22 22 TYR HA H 1 6.08 0.009 . 1 . . . . . . . . 5684 1 151 . 1 1 22 22 TYR HB2 H 1 2.42 0.009 . 2 . . . . . . . . 5684 1 152 . 1 1 22 22 TYR HB3 H 1 2.64 0.009 . 2 . . . . . . . . 5684 1 153 . 1 1 22 22 TYR C C 13 174.1 1.875 . 1 . . . . . . . . 5684 1 154 . 1 1 22 22 TYR CA C 13 54.29 1.875 . 1 . . . . . . . . 5684 1 155 . 1 1 22 22 TYR CB C 13 41.08 1.875 . 1 . . . . . . . . 5684 1 156 . 1 1 22 22 TYR N N 15 116.01 2 . 1 . . . . . . . . 5684 1 157 . 1 1 23 23 VAL H H 1 9.15 0.009 . 1 . . . . . . . . 5684 1 158 . 1 1 23 23 VAL HA H 1 4.38 0.009 . 1 . . . . . . . . 5684 1 159 . 1 1 23 23 VAL HB H 1 2.12 0.009 . 1 . . . . . . . . 5684 1 160 . 1 1 23 23 VAL HG11 H 1 0.57 0.009 . 2 . . . . . . . . 5684 1 161 . 1 1 23 23 VAL HG12 H 1 0.57 0.009 . 2 . . . . . . . . 5684 1 162 . 1 1 23 23 VAL HG13 H 1 0.57 0.009 . 2 . . . . . . . . 5684 1 163 . 1 1 23 23 VAL C C 13 173.4 1.875 . 1 . . . . . . . . 5684 1 164 . 1 1 23 23 VAL CA C 13 60.35 1.875 . 1 . . . . . . . . 5684 1 165 . 1 1 23 23 VAL CB C 13 33.97 1.875 . 1 . . . . . . . . 5684 1 166 . 1 1 23 23 VAL N N 15 119.01 2 . 1 . . . . . . . . 5684 1 167 . 1 1 24 24 ARG H H 1 8.96 0.009 . 1 . . . . . . . . 5684 1 168 . 1 1 24 24 ARG HA H 1 5.53 0.009 . 1 . . . . . . . . 5684 1 169 . 1 1 24 24 ARG HB2 H 1 1.67 0.009 . 2 . . . . . . . . 5684 1 170 . 1 1 24 24 ARG HD3 H 1 3.12 0.009 . 2 . . . . . . . . 5684 1 171 . 1 1 24 24 ARG C C 13 174.1 1.875 . 1 . . . . . . . . 5684 1 172 . 1 1 24 24 ARG CA C 13 52.96 1.875 . 1 . . . . . . . . 5684 1 173 . 1 1 24 24 ARG CB C 13 30.96 1.875 . 1 . . . . . . . . 5684 1 174 . 1 1 24 24 ARG N N 15 125.03 2 . 1 . . . . . . . . 5684 1 175 . 1 1 25 25 TYR H H 1 9.76 0.009 . 1 . . . . . . . . 5684 1 176 . 1 1 25 25 TYR HA H 1 5.05 0.009 . 1 . . . . . . . . 5684 1 177 . 1 1 25 25 TYR HB2 H 1 2.73 0.009 . 2 . . . . . . . . 5684 1 178 . 1 1 25 25 TYR C C 13 175 1.875 . 1 . . . . . . . . 5684 1 179 . 1 1 25 25 TYR CA C 13 54.87 1.875 . 1 . . . . . . . . 5684 1 180 . 1 1 25 25 TYR CB C 13 39.04 1.875 . 1 . . . . . . . . 5684 1 181 . 1 1 25 25 TYR N N 15 123.61 2 . 1 . . . . . . . . 5684 1 182 . 1 1 26 26 ARG H H 1 9.79 0.009 . 1 . . . . . . . . 5684 1 183 . 1 1 26 26 ARG HA H 1 5 0.009 . 1 . . . . . . . . 5684 1 184 . 1 1 26 26 ARG HB2 H 1 2.73 0.009 . 2 . . . . . . . . 5684 1 185 . 1 1 26 26 ARG C C 13 174.3 1.875 . 1 . . . . . . . . 5684 1 186 . 1 1 26 26 ARG CA C 13 53.63 1.875 . 1 . . . . . . . . 5684 1 187 . 1 1 26 26 ARG CB C 13 31.09 1.875 . 1 . . . . . . . . 5684 1 188 . 1 1 26 26 ARG N N 15 123.79 2 . 1 . . . . . . . . 5684 1 189 . 1 1 27 27 VAL H H 1 9.91 0.009 . 1 . . . . . . . . 5684 1 190 . 1 1 27 27 VAL HA H 1 5.05 0.009 . 1 . . . . . . . . 5684 1 191 . 1 1 27 27 VAL HB H 1 2.24 0.009 . 1 . . . . . . . . 5684 1 192 . 1 1 27 27 VAL HG11 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 193 . 1 1 27 27 VAL HG12 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 194 . 1 1 27 27 VAL HG13 H 1 0.89 0.009 . 2 . . . . . . . . 5684 1 195 . 1 1 27 27 VAL C C 13 175.4 1.875 . 1 . . . . . . . . 5684 1 196 . 1 1 27 27 VAL CA C 13 59.24 1.875 . 1 . . . . . . . . 5684 1 197 . 1 1 27 27 VAL CB C 13 30.92 1.875 . 1 . . . . . . . . 5684 1 198 . 1 1 27 27 VAL N N 15 131.08 2 . 1 . . . . . . . . 5684 1 199 . 1 1 28 28 SER H H 1 9.28 0.009 . 1 . . . . . . . . 5684 1 200 . 1 1 28 28 SER HA H 1 5.26 0.009 . 1 . . . . . . . . 5684 1 201 . 1 1 28 28 SER HB2 H 1 3.78 0.009 . 2 . . . . . . . . 5684 1 202 . 1 1 28 28 SER C C 13 175.6 1.875 . 1 . . . . . . . . 5684 1 203 . 1 1 28 28 SER CA C 13 54.95 1.875 . 1 . . . . . . . . 5684 1 204 . 1 1 28 28 SER CB C 13 64.21 1.875 . 1 . . . . . . . . 5684 1 205 . 1 1 28 28 SER N N 15 123 2 . 1 . . . . . . . . 5684 1 206 . 1 1 29 29 GLY H H 1 8.62 0.009 . 1 . . . . . . . . 5684 1 207 . 1 1 29 29 GLY HA2 H 1 3.75 0.009 . 2 . . . . . . . . 5684 1 208 . 1 1 29 29 GLY C C 13 173.7 1.875 . 1 . . . . . . . . 5684 1 209 . 1 1 29 29 GLY CA C 13 43.08 1.875 . 1 . . . . . . . . 5684 1 210 . 1 1 29 29 GLY N N 15 107.93 2 . 1 . . . . . . . . 5684 1 211 . 1 1 30 30 LEU H H 1 8.14 0.009 . 1 . . . . . . . . 5684 1 212 . 1 1 30 30 LEU HA H 1 4.41 0.009 . 1 . . . . . . . . 5684 1 213 . 1 1 30 30 LEU HB2 H 1 1.91 0.009 . 2 . . . . . . . . 5684 1 214 . 1 1 30 30 LEU HG H 1 1.45 0.009 . 1 . . . . . . . . 5684 1 215 . 1 1 30 30 LEU HD11 H 1 0.67 0.009 . 2 . . . . . . . . 5684 1 216 . 1 1 30 30 LEU HD12 H 1 0.67 0.009 . 2 . . . . . . . . 5684 1 217 . 1 1 30 30 LEU HD13 H 1 0.67 0.009 . 2 . . . . . . . . 5684 1 218 . 1 1 30 30 LEU HD21 H 1 0.76 0.009 . 2 . . . . . . . . 5684 1 219 . 1 1 30 30 LEU HD22 H 1 0.76 0.009 . 2 . . . . . . . . 5684 1 220 . 1 1 30 30 LEU HD23 H 1 0.76 0.009 . 2 . . . . . . . . 5684 1 221 . 1 1 30 30 LEU C C 13 175 1.875 . 1 . . . . . . . . 5684 1 222 . 1 1 30 30 LEU CA C 13 52.29 1.875 . 1 . . . . . . . . 5684 1 223 . 1 1 30 30 LEU CB C 13 41.31 1.875 . 1 . . . . . . . . 5684 1 224 . 1 1 30 30 LEU N N 15 119.18 2 . 1 . . . . . . . . 5684 1 225 . 1 1 31 31 ASP H H 1 7.37 0.009 . 1 . . . . . . . . 5684 1 226 . 1 1 31 31 ASP HA H 1 4.73 0.009 . 1 . . . . . . . . 5684 1 227 . 1 1 31 31 ASP HB2 H 1 3.1 0.009 . 2 . . . . . . . . 5684 1 228 . 1 1 31 31 ASP C C 13 177.1 1.875 . 1 . . . . . . . . 5684 1 229 . 1 1 31 31 ASP CA C 13 50.59 1.875 . 1 . . . . . . . . 5684 1 230 . 1 1 31 31 ASP CB C 13 39.55 1.875 . 1 . . . . . . . . 5684 1 231 . 1 1 31 31 ASP N N 15 120.4 2 . 1 . . . . . . . . 5684 1 232 . 1 1 32 32 GLU CA C 13 58.57 1.875 . 1 . . . . . . . . 5684 1 233 . 1 1 32 32 GLU CB C 13 27.38 1.875 . 1 . . . . . . . . 5684 1 234 . 1 1 33 33 GLU H H 1 8.27 0.009 . 1 . . . . . . . . 5684 1 235 . 1 1 33 33 GLU HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 236 . 1 1 33 33 GLU HB2 H 1 2.14 0.009 . 2 . . . . . . . . 5684 1 237 . 1 1 33 33 GLU C C 13 178.3 1.875 . 1 . . . . . . . . 5684 1 238 . 1 1 33 33 GLU CA C 13 57.8 1.875 . 1 . . . . . . . . 5684 1 239 . 1 1 33 33 GLU CB C 13 27.44 1.875 . 1 . . . . . . . . 5684 1 240 . 1 1 33 33 GLU N N 15 119.9 2 . 1 . . . . . . . . 5684 1 241 . 1 1 34 34 LEU H H 1 8.78 0.009 . 1 . . . . . . . . 5684 1 242 . 1 1 34 34 LEU HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 243 . 1 1 34 34 LEU HB2 H 1 1.82 0.009 . 2 . . . . . . . . 5684 1 244 . 1 1 34 34 LEU C C 13 180 1.875 . 1 . . . . . . . . 5684 1 245 . 1 1 34 34 LEU CA C 13 55.59 1.875 . 1 . . . . . . . . 5684 1 246 . 1 1 34 34 LEU CB C 13 40.03 1.875 . 1 . . . . . . . . 5684 1 247 . 1 1 34 34 LEU N N 15 120.4 2 . 1 . . . . . . . . 5684 1 248 . 1 1 35 35 THR H H 1 8.22 0.009 . 1 . . . . . . . . 5684 1 249 . 1 1 35 35 THR HA H 1 4.29 0.009 . 1 . . . . . . . . 5684 1 250 . 1 1 35 35 THR HB H 1 3.67 0.009 . 1 . . . . . . . . 5684 1 251 . 1 1 35 35 THR HG21 H 1 1.16 0.009 . 1 . . . . . . . . 5684 1 252 . 1 1 35 35 THR HG22 H 1 1.16 0.009 . 1 . . . . . . . . 5684 1 253 . 1 1 35 35 THR HG23 H 1 1.16 0.009 . 1 . . . . . . . . 5684 1 254 . 1 1 35 35 THR C C 13 183.8 1.875 . 1 . . . . . . . . 5684 1 255 . 1 1 35 35 THR CA C 13 66.16 1.875 . 1 . . . . . . . . 5684 1 256 . 1 1 35 35 THR N N 15 116.5 2 . 1 . . . . . . . . 5684 1 257 . 1 1 36 36 GLU H H 1 7.9 0.009 . 1 . . . . . . . . 5684 1 258 . 1 1 36 36 GLU HA H 1 3.93 0.009 . 1 . . . . . . . . 5684 1 259 . 1 1 36 36 GLU HB2 H 1 2.14 0.009 . 2 . . . . . . . . 5684 1 260 . 1 1 36 36 GLU C C 13 175.7 1.875 . 1 . . . . . . . . 5684 1 261 . 1 1 36 36 GLU CA C 13 57.45 1.875 . 1 . . . . . . . . 5684 1 262 . 1 1 36 36 GLU CB C 13 27.16 1.875 . 1 . . . . . . . . 5684 1 263 . 1 1 36 36 GLU N N 15 119.06 2 . 1 . . . . . . . . 5684 1 264 . 1 1 37 37 LYS H H 1 7.66 0.009 . 1 . . . . . . . . 5684 1 265 . 1 1 37 37 LYS HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 266 . 1 1 37 37 LYS HB2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 267 . 1 1 37 37 LYS C C 13 179.1 1.875 . 1 . . . . . . . . 5684 1 268 . 1 1 37 37 LYS CA C 13 57.61 1.875 . 1 . . . . . . . . 5684 1 269 . 1 1 37 37 LYS CB C 13 30.98 1.875 . 1 . . . . . . . . 5684 1 270 . 1 1 37 37 LYS N N 15 119.44 2 . 1 . . . . . . . . 5684 1 271 . 1 1 38 38 LEU H H 1 8.05 0.009 . 1 . . . . . . . . 5684 1 272 . 1 1 38 38 LEU HA H 1 3.85 0.009 . 1 . . . . . . . . 5684 1 273 . 1 1 38 38 LEU HB2 H 1 1.47 0.009 . 2 . . . . . . . . 5684 1 274 . 1 1 38 38 LEU C C 13 178.3 1.875 . 1 . . . . . . . . 5684 1 275 . 1 1 38 38 LEU CA C 13 56.16 1.875 . 1 . . . . . . . . 5684 1 276 . 1 1 38 38 LEU CB C 13 39.56 1.875 . 1 . . . . . . . . 5684 1 277 . 1 1 38 38 LEU N N 15 118.05 2 . 1 . . . . . . . . 5684 1 278 . 1 1 39 39 ILE H H 1 8.16 0.009 . 1 . . . . . . . . 5684 1 279 . 1 1 39 39 ILE HA H 1 4.39 0.009 . 1 . . . . . . . . 5684 1 280 . 1 1 39 39 ILE HB H 1 1.91 0.009 . 1 . . . . . . . . 5684 1 281 . 1 1 39 39 ILE HG12 H 1 0.92 0.009 . 2 . . . . . . . . 5684 1 282 . 1 1 39 39 ILE C C 13 178.4 1.875 . 1 . . . . . . . . 5684 1 283 . 1 1 39 39 ILE CA C 13 63.88 1.875 . 1 . . . . . . . . 5684 1 284 . 1 1 39 39 ILE CB C 13 36.34 1.875 . 1 . . . . . . . . 5684 1 285 . 1 1 39 39 ILE N N 15 116.96 2 . 1 . . . . . . . . 5684 1 286 . 1 1 40 40 GLU H H 1 7.76 0.009 . 1 . . . . . . . . 5684 1 287 . 1 1 40 40 GLU HA H 1 4.09 0.009 . 1 . . . . . . . . 5684 1 288 . 1 1 40 40 GLU HB2 H 1 2.24 0.009 . 2 . . . . . . . . 5684 1 289 . 1 1 40 40 GLU HG2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 290 . 1 1 40 40 GLU C C 13 178.6 1.875 . 1 . . . . . . . . 5684 1 291 . 1 1 40 40 GLU CA C 13 56.71 1.875 . 1 . . . . . . . . 5684 1 292 . 1 1 40 40 GLU CB C 13 27.91 1.875 . 1 . . . . . . . . 5684 1 293 . 1 1 40 40 GLU N N 15 116.76 2 . 1 . . . . . . . . 5684 1 294 . 1 1 41 41 ARG H H 1 7.81 0.009 . 1 . . . . . . . . 5684 1 295 . 1 1 41 41 ARG HA H 1 4.25 0.009 . 1 . . . . . . . . 5684 1 296 . 1 1 41 41 ARG HG2 H 1 1.6 0.009 . 2 . . . . . . . . 5684 1 297 . 1 1 41 41 ARG HD2 H 1 2.53 0.009 . 2 . . . . . . . . 5684 1 298 . 1 1 41 41 ARG C C 13 178.6 1.875 . 1 . . . . . . . . 5684 1 299 . 1 1 41 41 ARG CA C 13 55.53 1.875 . 1 . . . . . . . . 5684 1 300 . 1 1 41 41 ARG CB C 13 30.09 1.875 . 1 . . . . . . . . 5684 1 301 . 1 1 41 41 ARG N N 15 116.08 2 . 1 . . . . . . . . 5684 1 302 . 1 1 42 42 LEU H H 1 8.03 0.009 . 1 . . . . . . . . 5684 1 303 . 1 1 42 42 LEU HA H 1 4.53 0.009 . 1 . . . . . . . . 5684 1 304 . 1 1 42 42 LEU HB2 H 1 1.88 0.009 . 2 . . . . . . . . 5684 1 305 . 1 1 42 42 LEU HG H 1 1.48 0.009 . 1 . . . . . . . . 5684 1 306 . 1 1 42 42 LEU C C 13 177.3 1.875 . 1 . . . . . . . . 5684 1 307 . 1 1 42 42 LEU CA C 13 52.95 1.875 . 1 . . . . . . . . 5684 1 308 . 1 1 42 42 LEU CB C 13 41.14 1.875 . 1 . . . . . . . . 5684 1 309 . 1 1 42 42 LEU N N 15 120.16 2 . 1 . . . . . . . . 5684 1 310 . 1 1 43 43 ASP H H 1 8.97 0.009 . 1 . . . . . . . . 5684 1 311 . 1 1 43 43 ASP HA H 1 4.75 0.009 . 1 . . . . . . . . 5684 1 312 . 1 1 43 43 ASP HB2 H 1 2.62 0.009 . 2 . . . . . . . . 5684 1 313 . 1 1 43 43 ASP C C 13 176.9 1.875 . 1 . . . . . . . . 5684 1 314 . 1 1 43 43 ASP CA C 13 52.54 1.875 . 1 . . . . . . . . 5684 1 315 . 1 1 43 43 ASP CB C 13 38.97 1.875 . 1 . . . . . . . . 5684 1 316 . 1 1 43 43 ASP N N 15 123.03 2 . 1 . . . . . . . . 5684 1 317 . 1 1 44 44 GLU H H 1 7.99 0.009 . 1 . . . . . . . . 5684 1 318 . 1 1 44 44 GLU HA H 1 4.5 0.009 . 1 . . . . . . . . 5684 1 319 . 1 1 44 44 GLU HB2 H 1 1.53 0.009 . 2 . . . . . . . . 5684 1 320 . 1 1 44 44 GLU C C 13 176.7 1.875 . 1 . . . . . . . . 5684 1 321 . 1 1 44 44 GLU CA C 13 54.19 1.875 . 1 . . . . . . . . 5684 1 322 . 1 1 44 44 GLU CB C 13 29.49 1.875 . 1 . . . . . . . . 5684 1 323 . 1 1 44 44 GLU N N 15 118.45 2 . 1 . . . . . . . . 5684 1 324 . 1 1 45 45 ASP H H 1 8.76 0.009 . 1 . . . . . . . . 5684 1 325 . 1 1 45 45 ASP HA H 1 4.6 0.009 . 1 . . . . . . . . 5684 1 326 . 1 1 45 45 ASP HB2 H 1 2.77 0.009 . 2 . . . . . . . . 5684 1 327 . 1 1 45 45 ASP C C 13 175.4 1.875 . 1 . . . . . . . . 5684 1 328 . 1 1 45 45 ASP CA C 13 53.8 1.875 . 1 . . . . . . . . 5684 1 329 . 1 1 45 45 ASP CB C 13 39.56 1.875 . 1 . . . . . . . . 5684 1 330 . 1 1 45 45 ASP N N 15 121.78 2 . 1 . . . . . . . . 5684 1 331 . 1 1 46 46 THR H H 1 8.08 0.009 . 1 . . . . . . . . 5684 1 332 . 1 1 46 46 THR HA H 1 5.4 0.009 . 1 . . . . . . . . 5684 1 333 . 1 1 46 46 THR HB H 1 3.98 0.009 . 1 . . . . . . . . 5684 1 334 . 1 1 46 46 THR HG21 H 1 1.18 0.009 . 1 . . . . . . . . 5684 1 335 . 1 1 46 46 THR HG22 H 1 1.18 0.009 . 1 . . . . . . . . 5684 1 336 . 1 1 46 46 THR HG23 H 1 1.18 0.009 . 1 . . . . . . . . 5684 1 337 . 1 1 46 46 THR C C 13 175.7 1.875 . 1 . . . . . . . . 5684 1 338 . 1 1 46 46 THR CA C 13 57.62 1.875 . 1 . . . . . . . . 5684 1 339 . 1 1 46 46 THR CB C 13 70.9 1.875 . 1 . . . . . . . . 5684 1 340 . 1 1 46 46 THR N N 15 113.48 2 . 1 . . . . . . . . 5684 1 341 . 1 1 47 47 GLU H H 1 8.73 0.009 . 1 . . . . . . . . 5684 1 342 . 1 1 47 47 GLU HA H 1 4.65 0.009 . 1 . . . . . . . . 5684 1 343 . 1 1 47 47 GLU HB2 H 1 2.08 0.009 . 2 . . . . . . . . 5684 1 344 . 1 1 47 47 GLU C C 13 174.3 1.875 . 1 . . . . . . . . 5684 1 345 . 1 1 47 47 GLU CA C 13 52.93 1.875 . 1 . . . . . . . . 5684 1 346 . 1 1 47 47 GLU CB C 13 31.9 1.875 . 1 . . . . . . . . 5684 1 347 . 1 1 47 47 GLU N N 15 120.02 2 . 1 . . . . . . . . 5684 1 348 . 1 1 48 48 ARG H H 1 8.87 0.009 . 1 . . . . . . . . 5684 1 349 . 1 1 48 48 ARG HA H 1 4.76 0.009 . 1 . . . . . . . . 5684 1 350 . 1 1 48 48 ARG HB2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 351 . 1 1 48 48 ARG HD2 H 1 3.16 0.009 . 2 . . . . . . . . 5684 1 352 . 1 1 48 48 ARG C C 13 174.7 1.875 . 1 . . . . . . . . 5684 1 353 . 1 1 48 48 ARG CA C 13 53.73 1.875 . 1 . . . . . . . . 5684 1 354 . 1 1 48 48 ARG CB C 13 29.47 1.875 . 1 . . . . . . . . 5684 1 355 . 1 1 48 48 ARG N N 15 122.94 2 . 1 . . . . . . . . 5684 1 356 . 1 1 49 49 ASP H H 1 8.25 0.009 . 1 . . . . . . . . 5684 1 357 . 1 1 49 49 ASP HA H 1 4.79 0.009 . 1 . . . . . . . . 5684 1 358 . 1 1 49 49 ASP HB2 H 1 2.4 0.009 . 2 . . . . . . . . 5684 1 359 . 1 1 49 49 ASP C C 13 176.4 1.875 . 1 . . . . . . . . 5684 1 360 . 1 1 49 49 ASP CA C 13 52.12 1.875 . 1 . . . . . . . . 5684 1 361 . 1 1 49 49 ASP CB C 13 41.41 1.875 . 1 . . . . . . . . 5684 1 362 . 1 1 49 49 ASP N N 15 122.15 2 . 1 . . . . . . . . 5684 1 363 . 1 1 50 50 ASP H H 1 9.04 0.009 . 1 . . . . . . . . 5684 1 364 . 1 1 50 50 ASP HA H 1 4.73 0.009 . 1 . . . . . . . . 5684 1 365 . 1 1 50 50 ASP HB2 H 1 3.3 0.009 . 2 . . . . . . . . 5684 1 366 . 1 1 50 50 ASP C C 13 174.9 1.875 . 1 . . . . . . . . 5684 1 367 . 1 1 50 50 ASP CA C 13 53.67 1.875 . 1 . . . . . . . . 5684 1 368 . 1 1 50 50 ASP CB C 13 39.53 1.875 . 1 . . . . . . . . 5684 1 369 . 1 1 50 50 ASP N N 15 126.7 2 . 1 . . . . . . . . 5684 1 370 . 1 1 51 51 GLY H H 1 8.54 0.009 . 1 . . . . . . . . 5684 1 371 . 1 1 51 51 GLY HA2 H 1 4.05 0.009 . 2 . . . . . . . . 5684 1 372 . 1 1 51 51 GLY C C 13 175.7 1.875 . 1 . . . . . . . . 5684 1 373 . 1 1 51 51 GLY CA C 13 44.29 1.875 . 1 . . . . . . . . 5684 1 374 . 1 1 51 51 GLY N N 15 108.4 2 . 1 . . . . . . . . 5684 1 375 . 1 1 52 52 ASP H H 1 8.09 0.009 . 1 . . . . . . . . 5684 1 376 . 1 1 52 52 ASP HA H 1 5.15 0.009 . 1 . . . . . . . . 5684 1 377 . 1 1 52 52 ASP HB2 H 1 2.75 0.009 . 2 . . . . . . . . 5684 1 378 . 1 1 52 52 ASP C C 13 174.3 1.875 . 1 . . . . . . . . 5684 1 379 . 1 1 52 52 ASP CA C 13 51.31 1.875 . 1 . . . . . . . . 5684 1 380 . 1 1 52 52 ASP CB C 13 40.31 1.875 . 1 . . . . . . . . 5684 1 381 . 1 1 52 52 ASP N N 15 122.44 2 . 1 . . . . . . . . 5684 1 382 . 1 1 53 53 LEU H H 1 8.56 0.009 . 1 . . . . . . . . 5684 1 383 . 1 1 53 53 LEU HA H 1 5.02 0.009 . 1 . . . . . . . . 5684 1 384 . 1 1 53 53 LEU HB2 H 1 1.54 0.009 . 2 . . . . . . . . 5684 1 385 . 1 1 53 53 LEU C C 13 175.4 1.875 . 1 . . . . . . . . 5684 1 386 . 1 1 53 53 LEU CA C 13 51.44 1.875 . 1 . . . . . . . . 5684 1 387 . 1 1 53 53 LEU CB C 13 44.06 1.875 . 1 . . . . . . . . 5684 1 388 . 1 1 53 53 LEU N N 15 121.88 2 . 1 . . . . . . . . 5684 1 389 . 1 1 54 54 ILE H H 1 9.42 0.009 . 1 . . . . . . . . 5684 1 390 . 1 1 54 54 ILE HA H 1 5.36 0.009 . 1 . . . . . . . . 5684 1 391 . 1 1 54 54 ILE HB H 1 1.92 0.009 . 1 . . . . . . . . 5684 1 392 . 1 1 54 54 ILE HG12 H 1 0.73 0.009 . 2 . . . . . . . . 5684 1 393 . 1 1 54 54 ILE C C 13 174.4 1.875 . 1 . . . . . . . . 5684 1 394 . 1 1 54 54 ILE CA C 13 56.34 1.875 . 1 . . . . . . . . 5684 1 395 . 1 1 54 54 ILE CB C 13 35.75 1.875 . 1 . . . . . . . . 5684 1 396 . 1 1 54 54 ILE N N 15 125.76 2 . 1 . . . . . . . . 5684 1 397 . 1 1 55 55 ILE H H 1 9.4 0.009 . 1 . . . . . . . . 5684 1 398 . 1 1 55 55 ILE HA H 1 4.97 0.009 . 1 . . . . . . . . 5684 1 399 . 1 1 55 55 ILE HB H 1 1.7 0.009 . 1 . . . . . . . . 5684 1 400 . 1 1 55 55 ILE HG12 H 1 0.85 0.009 . 2 . . . . . . . . 5684 1 401 . 1 1 55 55 ILE C C 13 176.9 1.875 . 1 . . . . . . . . 5684 1 402 . 1 1 55 55 ILE CA C 13 57.9 1.875 . 1 . . . . . . . . 5684 1 403 . 1 1 55 55 ILE CB C 13 40.03 1.875 . 1 . . . . . . . . 5684 1 404 . 1 1 55 55 ILE N N 15 128.62 2 . 1 . . . . . . . . 5684 1 405 . 1 1 56 56 THR H H 1 8.66 0.009 . 1 . . . . . . . . 5684 1 406 . 1 1 56 56 THR HA H 1 5 0.009 . 1 . . . . . . . . 5684 1 407 . 1 1 56 56 THR HB H 1 3.88 0.009 . 1 . . . . . . . . 5684 1 408 . 1 1 56 56 THR HG21 H 1 0.48 0.009 . 1 . . . . . . . . 5684 1 409 . 1 1 56 56 THR HG22 H 1 0.48 0.009 . 1 . . . . . . . . 5684 1 410 . 1 1 56 56 THR HG23 H 1 0.48 0.009 . 1 . . . . . . . . 5684 1 411 . 1 1 56 56 THR C C 13 175.8 1.875 . 1 . . . . . . . . 5684 1 412 . 1 1 56 56 THR CA C 13 60.76 1.875 . 1 . . . . . . . . 5684 1 413 . 1 1 56 56 THR CB C 13 67.43 1.875 . 1 . . . . . . . . 5684 1 414 . 1 1 56 56 THR N N 15 125.07 2 . 1 . . . . . . . . 5684 1 415 . 1 1 57 57 VAL H H 1 8.92 0.009 . 1 . . . . . . . . 5684 1 416 . 1 1 57 57 VAL HA H 1 4.11 0.009 . 1 . . . . . . . . 5684 1 417 . 1 1 57 57 VAL HB H 1 2.09 0.009 . 1 . . . . . . . . 5684 1 418 . 1 1 57 57 VAL HG11 H 1 0.99 0.009 . 2 . . . . . . . . 5684 1 419 . 1 1 57 57 VAL HG12 H 1 0.99 0.009 . 2 . . . . . . . . 5684 1 420 . 1 1 57 57 VAL HG13 H 1 0.99 0.009 . 2 . . . . . . . . 5684 1 421 . 1 1 57 57 VAL HG21 H 1 0.59 0.009 . 2 . . . . . . . . 5684 1 422 . 1 1 57 57 VAL HG22 H 1 0.59 0.009 . 2 . . . . . . . . 5684 1 423 . 1 1 57 57 VAL HG23 H 1 0.59 0.009 . 2 . . . . . . . . 5684 1 424 . 1 1 57 57 VAL C C 13 172.4 1.875 . 1 . . . . . . . . 5684 1 425 . 1 1 57 57 VAL CA C 13 59.14 1.875 . 1 . . . . . . . . 5684 1 426 . 1 1 57 57 VAL CB C 13 32.69 1.875 . 1 . . . . . . . . 5684 1 427 . 1 1 57 57 VAL N N 15 127.24 2 . 1 . . . . . . . . 5684 1 428 . 1 1 58 58 PHE H H 1 8.58 0.009 . 1 . . . . . . . . 5684 1 429 . 1 1 58 58 PHE HA H 1 5.5 0.009 . 1 . . . . . . . . 5684 1 430 . 1 1 58 58 PHE HB2 H 1 2.79 0.009 . 2 . . . . . . . . 5684 1 431 . 1 1 58 58 PHE C C 13 174.1 1.875 . 1 . . . . . . . . 5684 1 432 . 1 1 58 58 PHE CA C 13 55.36 1.875 . 1 . . . . . . . . 5684 1 433 . 1 1 58 58 PHE CB C 13 39.53 1.875 . 1 . . . . . . . . 5684 1 434 . 1 1 58 58 PHE N N 15 123.54 2 . 1 . . . . . . . . 5684 1 435 . 1 1 59 59 TYR H H 1 8.91 0.009 . 1 . . . . . . . . 5684 1 436 . 1 1 59 59 TYR HA H 1 4.93 0.009 . 1 . . . . . . . . 5684 1 437 . 1 1 59 59 TYR HB2 H 1 2.34 0.009 . 2 . . . . . . . . 5684 1 438 . 1 1 59 59 TYR C C 13 175.8 1.875 . 1 . . . . . . . . 5684 1 439 . 1 1 59 59 TYR CA C 13 55.1 1.875 . 1 . . . . . . . . 5684 1 440 . 1 1 59 59 TYR CB C 13 41.61 1.875 . 1 . . . . . . . . 5684 1 441 . 1 1 59 59 TYR N N 15 118.18 2 . 1 . . . . . . . . 5684 1 442 . 1 1 60 60 GLU H H 1 9.1 0.009 . 1 . . . . . . . . 5684 1 443 . 1 1 60 60 GLU HA H 1 4.64 0.009 . 1 . . . . . . . . 5684 1 444 . 1 1 60 60 GLU HB2 H 1 2.03 0.009 . 2 . . . . . . . . 5684 1 445 . 1 1 60 60 GLU C C 13 175.9 1.875 . 1 . . . . . . . . 5684 1 446 . 1 1 60 60 GLU CA C 13 54.96 1.875 . 1 . . . . . . . . 5684 1 447 . 1 1 60 60 GLU CB C 13 28.18 1.875 . 1 . . . . . . . . 5684 1 448 . 1 1 60 60 GLU N N 15 122.02 2 . 1 . . . . . . . . 5684 1 449 . 1 1 61 61 ARG H H 1 9.01 0.009 . 1 . . . . . . . . 5684 1 450 . 1 1 61 61 ARG HA H 1 4.72 0.009 . 1 . . . . . . . . 5684 1 451 . 1 1 61 61 ARG C C 13 178.4 1.875 . 1 . . . . . . . . 5684 1 452 . 1 1 61 61 ARG CA C 13 57.77 1.875 . 1 . . . . . . . . 5684 1 453 . 1 1 61 61 ARG CB C 13 28.28 1.875 . 1 . . . . . . . . 5684 1 454 . 1 1 61 61 ARG N N 15 122.8 2 . 1 . . . . . . . . 5684 1 455 . 1 1 62 62 GLU H H 1 9.06 0.009 . 1 . . . . . . . . 5684 1 456 . 1 1 62 62 GLU HA H 1 3.99 0.009 . 1 . . . . . . . . 5684 1 457 . 1 1 62 62 GLU HB2 H 1 1.86 0.009 . 2 . . . . . . . . 5684 1 458 . 1 1 62 62 GLU C C 13 178.8 1.875 . 1 . . . . . . . . 5684 1 459 . 1 1 62 62 GLU CA C 13 56.58 1.875 . 1 . . . . . . . . 5684 1 460 . 1 1 62 62 GLU CB C 13 26.92 1.875 . 1 . . . . . . . . 5684 1 461 . 1 1 62 62 GLU N N 15 115.392 2 . 1 . . . . . . . . 5684 1 462 . 1 1 63 63 TYR H H 1 7.69 0.009 . 1 . . . . . . . . 5684 1 463 . 1 1 63 63 TYR HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 464 . 1 1 63 63 TYR HB2 H 1 3.43 0.009 . 2 . . . . . . . . 5684 1 465 . 1 1 63 63 TYR HB3 H 1 2.97 0.009 . 2 . . . . . . . . 5684 1 466 . 1 1 63 63 TYR C C 13 176.3 1.875 . 1 . . . . . . . . 5684 1 467 . 1 1 63 63 TYR CA C 13 55.42 1.875 . 1 . . . . . . . . 5684 1 468 . 1 1 63 63 TYR CB C 13 37.84 1.875 . 1 . . . . . . . . 5684 1 469 . 1 1 63 63 TYR N N 15 116.75 2 . 1 . . . . . . . . 5684 1 470 . 1 1 64 64 PHE H H 1 7.43 0.009 . 1 . . . . . . . . 5684 1 471 . 1 1 64 64 PHE HA H 1 4.24 0.009 . 1 . . . . . . . . 5684 1 472 . 1 1 64 64 PHE HB2 H 1 2.82 0.009 . 2 . . . . . . . . 5684 1 473 . 1 1 64 64 PHE C C 13 175 1.875 . 1 . . . . . . . . 5684 1 474 . 1 1 64 64 PHE CA C 13 51.56 1.875 . 1 . . . . . . . . 5684 1 475 . 1 1 64 64 PHE CB C 13 37.76 1.875 . 1 . . . . . . . . 5684 1 476 . 1 1 64 64 PHE N N 15 120.76 2 . 1 . . . . . . . . 5684 1 477 . 1 1 65 65 PRO CA C 13 61.15 1.875 . 1 . . . . . . . . 5684 1 478 . 1 1 65 65 PRO CB C 13 29.55 1.875 . 1 . . . . . . . . 5684 1 479 . 1 1 66 66 PHE H H 1 7.96 0.009 . 1 . . . . . . . . 5684 1 480 . 1 1 66 66 PHE HA H 1 4.36 0.009 . 1 . . . . . . . . 5684 1 481 . 1 1 66 66 PHE C C 13 175.2 1.875 . 1 . . . . . . . . 5684 1 482 . 1 1 66 66 PHE CA C 13 55.84 1.875 . 1 . . . . . . . . 5684 1 483 . 1 1 66 66 PHE CB C 13 40.93 1.875 . 1 . . . . . . . . 5684 1 484 . 1 1 66 66 PHE N N 15 127.3 2 . 1 . . . . . . . . 5684 1 485 . 1 1 67 67 GLY HA2 H 1 4.16 0.009 . 2 . . . . . . . . 5684 1 486 . 1 1 67 67 GLY CA C 13 43.55 1.875 . 1 . . . . . . . . 5684 1 487 . 1 1 68 68 SER H H 1 7.88 0.009 . 1 . . . . . . . . 5684 1 488 . 1 1 68 68 SER HA H 1 4.49 0.009 . 1 . . . . . . . . 5684 1 489 . 1 1 68 68 SER CA C 13 56.06 1.875 . 1 . . . . . . . . 5684 1 490 . 1 1 68 68 SER CB C 13 62.59 1.875 . 1 . . . . . . . . 5684 1 491 . 1 1 68 68 SER N N 15 115.6 2 . 1 . . . . . . . . 5684 1 492 . 1 1 69 69 GLU CA C 13 56.59 1.875 . 1 . . . . . . . . 5684 1 493 . 1 1 69 69 GLU CB C 13 27.17 1.875 . 1 . . . . . . . . 5684 1 494 . 1 1 70 70 GLU H H 1 8.48 0.009 . 1 . . . . . . . . 5684 1 495 . 1 1 70 70 GLU HA H 1 4.02 0.009 . 1 . . . . . . . . 5684 1 496 . 1 1 70 70 GLU HB2 H 1 1.71 0.009 . 2 . . . . . . . . 5684 1 497 . 1 1 70 70 GLU C C 13 178.2 1.875 . 1 . . . . . . . . 5684 1 498 . 1 1 70 70 GLU CA C 13 56.3 1.875 . 1 . . . . . . . . 5684 1 499 . 1 1 70 70 GLU CB C 13 27.84 1.875 . 1 . . . . . . . . 5684 1 500 . 1 1 70 70 GLU N N 15 119.6 2 . 1 . . . . . . . . 5684 1 501 . 1 1 71 71 SER H H 1 7.81 0.009 . 1 . . . . . . . . 5684 1 502 . 1 1 71 71 SER HA H 1 4.23 0.009 . 1 . . . . . . . . 5684 1 503 . 1 1 71 71 SER HB2 H 1 3.55 0.009 . 2 . . . . . . . . 5684 1 504 . 1 1 71 71 SER C C 13 177.4 1.875 . 1 . . . . . . . . 5684 1 505 . 1 1 71 71 SER CA C 13 57.39 1.875 . 1 . . . . . . . . 5684 1 506 . 1 1 71 71 SER CB C 13 61.62 1.875 . 1 . . . . . . . . 5684 1 507 . 1 1 71 71 SER N N 15 114.71 2 . 1 . . . . . . . . 5684 1 508 . 1 1 72 72 LYS H H 1 8.32 0.009 . 1 . . . . . . . . 5684 1 509 . 1 1 72 72 LYS HA H 1 4.14 0.009 . 1 . . . . . . . . 5684 1 510 . 1 1 72 72 LYS HB2 H 1 1.68 0.009 . 2 . . . . . . . . 5684 1 511 . 1 1 72 72 LYS HG2 H 1 1.35 0.009 . 2 . . . . . . . . 5684 1 512 . 1 1 72 72 LYS C C 13 183.6 1.875 . 1 . . . . . . . . 5684 1 513 . 1 1 72 72 LYS CA C 13 56.59 1.875 . 1 . . . . . . . . 5684 1 514 . 1 1 72 72 LYS CB C 13 30.4 1.875 . 1 . . . . . . . . 5684 1 515 . 1 1 72 72 LYS N N 15 115.6 2 . 1 . . . . . . . . 5684 1 516 . 1 1 73 73 VAL H H 1 7.57 0.009 . 1 . . . . . . . . 5684 1 517 . 1 1 73 73 VAL HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 518 . 1 1 73 73 VAL HB H 1 2.12 0.009 . 1 . . . . . . . . 5684 1 519 . 1 1 73 73 VAL HG11 H 1 0.95 0.009 . 2 . . . . . . . . 5684 1 520 . 1 1 73 73 VAL HG12 H 1 0.95 0.009 . 2 . . . . . . . . 5684 1 521 . 1 1 73 73 VAL HG13 H 1 0.95 0.009 . 2 . . . . . . . . 5684 1 522 . 1 1 73 73 VAL C C 13 178.7 1.875 . 1 . . . . . . . . 5684 1 523 . 1 1 73 73 VAL CA C 13 61.87 1.875 . 1 . . . . . . . . 5684 1 524 . 1 1 73 73 VAL CB C 13 30.41 1.875 . 1 . . . . . . . . 5684 1 525 . 1 1 73 73 VAL N N 15 16.77 2 . 1 . . . . . . . . 5684 1 526 . 1 1 74 74 LYS H H 1 7.8 0.009 . 1 . . . . . . . . 5684 1 527 . 1 1 74 74 LYS HA H 1 4.69 0.009 . 1 . . . . . . . . 5684 1 528 . 1 1 74 74 LYS HB2 H 1 1.66 0.009 . 2 . . . . . . . . 5684 1 529 . 1 1 74 74 LYS HD2 H 1 3.01 0.009 . 2 . . . . . . . . 5684 1 530 . 1 1 74 74 LYS C C 13 177.2 1.875 . 1 . . . . . . . . 5684 1 531 . 1 1 74 74 LYS CA C 13 54.11 1.875 . 1 . . . . . . . . 5684 1 532 . 1 1 74 74 LYS CB C 13 30.17 1.875 . 1 . . . . . . . . 5684 1 533 . 1 1 74 74 LYS N N 15 122 2 . 1 . . . . . . . . 5684 1 534 . 1 1 75 75 MET H H 1 7.83 0.009 . 1 . . . . . . . . 5684 1 535 . 1 1 75 75 MET HA H 1 4.69 0.009 . 1 . . . . . . . . 5684 1 536 . 1 1 75 75 MET HB2 H 1 1.67 0.009 . 2 . . . . . . . . 5684 1 537 . 1 1 75 75 MET C C 13 177.6 1.875 . 1 . . . . . . . . 5684 1 538 . 1 1 75 75 MET CA C 13 56.2 1.875 . 1 . . . . . . . . 5684 1 539 . 1 1 75 75 MET CB C 13 30.06 1.875 . 1 . . . . . . . . 5684 1 540 . 1 1 75 75 MET N N 15 121.44 2 . 1 . . . . . . . . 5684 1 541 . 1 1 76 76 ALA H H 1 8.32 0.009 . 1 . . . . . . . . 5684 1 542 . 1 1 76 76 ALA HA H 1 4.06 0.009 . 1 . . . . . . . . 5684 1 543 . 1 1 76 76 ALA HB1 H 1 1.48 0.009 . 1 . . . . . . . . 5684 1 544 . 1 1 76 76 ALA HB2 H 1 1.48 0.009 . 1 . . . . . . . . 5684 1 545 . 1 1 76 76 ALA HB3 H 1 1.48 0.009 . 1 . . . . . . . . 5684 1 546 . 1 1 76 76 ALA C C 13 177.8 1.875 . 1 . . . . . . . . 5684 1 547 . 1 1 76 76 ALA CA C 13 53.68 1.875 . 1 . . . . . . . . 5684 1 548 . 1 1 76 76 ALA CB C 13 15.87 1.875 . 1 . . . . . . . . 5684 1 549 . 1 1 76 76 ALA N N 15 120.2 2 . 1 . . . . . . . . 5684 1 550 . 1 1 77 77 ASP H H 1 7.87 0.009 . 1 . . . . . . . . 5684 1 551 . 1 1 77 77 ASP HA H 1 4.46 0.009 . 1 . . . . . . . . 5684 1 552 . 1 1 77 77 ASP HB2 H 1 2.75 0.009 . 2 . . . . . . . . 5684 1 553 . 1 1 77 77 ASP C C 13 182.8 1.875 . 1 . . . . . . . . 5684 1 554 . 1 1 77 77 ASP CA C 13 55.07 1.875 . 1 . . . . . . . . 5684 1 555 . 1 1 77 77 ASP CB C 13 38.49 1.875 . 1 . . . . . . . . 5684 1 556 . 1 1 77 77 ASP N N 15 118.23 2 . 1 . . . . . . . . 5684 1 557 . 1 1 78 78 PHE H H 1 8.14 0.009 . 1 . . . . . . . . 5684 1 558 . 1 1 78 78 PHE HA H 1 4.17 0.009 . 1 . . . . . . . . 5684 1 559 . 1 1 78 78 PHE HB2 H 1 3.19 0.009 . 2 . . . . . . . . 5684 1 560 . 1 1 78 78 PHE C C 13 178.7 1.875 . 1 . . . . . . . . 5684 1 561 . 1 1 78 78 PHE CA C 13 59.22 1.875 . 1 . . . . . . . . 5684 1 562 . 1 1 78 78 PHE CB C 13 36.82 1.875 . 1 . . . . . . . . 5684 1 563 . 1 1 78 78 PHE N N 15 120.6 2 . 1 . . . . . . . . 5684 1 564 . 1 1 79 79 ILE H H 1 8.78 0.009 . 1 . . . . . . . . 5684 1 565 . 1 1 79 79 ILE HA H 1 3.58 0.009 . 1 . . . . . . . . 5684 1 566 . 1 1 79 79 ILE HB H 1 1.78 0.009 . 1 . . . . . . . . 5684 1 567 . 1 1 79 79 ILE HG12 H 1 0.91 0.009 . 2 . . . . . . . . 5684 1 568 . 1 1 79 79 ILE C C 13 178.2 1.875 . 1 . . . . . . . . 5684 1 569 . 1 1 79 79 ILE CA C 13 63.43 1.875 . 1 . . . . . . . . 5684 1 570 . 1 1 79 79 ILE CB C 13 35.82 1.875 . 1 . . . . . . . . 5684 1 571 . 1 1 79 79 ILE N N 15 120.6 2 . 1 . . . . . . . . 5684 1 572 . 1 1 80 80 ALA H H 1 7.75 0.009 . 1 . . . . . . . . 5684 1 573 . 1 1 80 80 ALA HA H 1 4.35 0.009 . 1 . . . . . . . . 5684 1 574 . 1 1 80 80 ALA HB1 H 1 1.58 0.009 . 1 . . . . . . . . 5684 1 575 . 1 1 80 80 ALA HB2 H 1 1.58 0.009 . 1 . . . . . . . . 5684 1 576 . 1 1 80 80 ALA HB3 H 1 1.58 0.009 . 1 . . . . . . . . 5684 1 577 . 1 1 80 80 ALA C C 13 177.1 1.875 . 1 . . . . . . . . 5684 1 578 . 1 1 80 80 ALA CA C 13 53 1.875 . 1 . . . . . . . . 5684 1 579 . 1 1 80 80 ALA CB C 13 16.06 1.875 . 1 . . . . . . . . 5684 1 580 . 1 1 80 80 ALA N N 15 119.75 2 . 1 . . . . . . . . 5684 1 581 . 1 1 81 81 ARG H H 1 7.72 0.009 . 1 . . . . . . . . 5684 1 582 . 1 1 81 81 ARG HA H 1 4.63 0.009 . 1 . . . . . . . . 5684 1 583 . 1 1 81 81 ARG HB2 H 1 1.56 0.009 . 2 . . . . . . . . 5684 1 584 . 1 1 81 81 ARG C C 13 176.9 1.875 . 1 . . . . . . . . 5684 1 585 . 1 1 81 81 ARG CA C 13 57.24 1.875 . 1 . . . . . . . . 5684 1 586 . 1 1 81 81 ARG CB C 13 27.95 1.875 . 1 . . . . . . . . 5684 1 587 . 1 1 81 81 ARG N N 15 116.69 2 . 1 . . . . . . . . 5684 1 588 . 1 1 82 82 GLU H H 1 8.18 0.009 . 1 . . . . . . . . 5684 1 589 . 1 1 82 82 GLU HA H 1 4.33 0.009 . 1 . . . . . . . . 5684 1 590 . 1 1 82 82 GLU HB2 H 1 1.89 0.009 . 2 . . . . . . . . 5684 1 591 . 1 1 82 82 GLU C C 13 178.9 1.875 . 1 . . . . . . . . 5684 1 592 . 1 1 82 82 GLU CA C 13 56.73 1.875 . 1 . . . . . . . . 5684 1 593 . 1 1 82 82 GLU CB C 13 27.11 1.875 . 1 . . . . . . . . 5684 1 594 . 1 1 82 82 GLU N N 15 119.9 2 . 1 . . . . . . . . 5684 1 595 . 1 1 83 83 GLU H H 1 8.57 0.009 . 1 . . . . . . . . 5684 1 596 . 1 1 83 83 GLU HA H 1 3.75 0.009 . 1 . . . . . . . . 5684 1 597 . 1 1 83 83 GLU HB2 H 1 2.14 0.009 . 2 . . . . . . . . 5684 1 598 . 1 1 83 83 GLU C C 13 179.39 1.875 . 1 . . . . . . . . 5684 1 599 . 1 1 83 83 GLU CA C 13 58.59 1.875 . 1 . . . . . . . . 5684 1 600 . 1 1 83 83 GLU CB C 13 27.36 1.875 . 1 . . . . . . . . 5684 1 601 . 1 1 83 83 GLU N N 15 119.5 2 . 1 . . . . . . . . 5684 1 602 . 1 1 84 84 ILE H H 1 7.6 0.009 . 1 . . . . . . . . 5684 1 603 . 1 1 84 84 ILE HA H 1 3.9 0.009 . 1 . . . . . . . . 5684 1 604 . 1 1 84 84 ILE HB H 1 2.05 0.009 . 1 . . . . . . . . 5684 1 605 . 1 1 84 84 ILE HG12 H 1 0.96 0.009 . 2 . . . . . . . . 5684 1 606 . 1 1 84 84 ILE C C 13 179 1.875 . 1 . . . . . . . . 5684 1 607 . 1 1 84 84 ILE CA C 13 62.63 1.875 . 1 . . . . . . . . 5684 1 608 . 1 1 84 84 ILE CB C 13 35.98 1.875 . 1 . . . . . . . . 5684 1 609 . 1 1 84 84 ILE N N 15 119.2 2 . 1 . . . . . . . . 5684 1 610 . 1 1 85 85 GLU H H 1 8.33 0.009 . 1 . . . . . . . . 5684 1 611 . 1 1 85 85 GLU HA H 1 4.03 0.009 . 1 . . . . . . . . 5684 1 612 . 1 1 85 85 GLU C C 13 178.3 1.875 . 1 . . . . . . . . 5684 1 613 . 1 1 85 85 GLU CA C 13 57.48 1.875 . 1 . . . . . . . . 5684 1 614 . 1 1 85 85 GLU CB C 13 26.93 1.875 . 1 . . . . . . . . 5684 1 615 . 1 1 85 85 GLU N N 15 119.4 2 . 1 . . . . . . . . 5684 1 616 . 1 1 86 86 MET H H 1 8.48 0.009 . 1 . . . . . . . . 5684 1 617 . 1 1 86 86 MET HA H 1 4.71 0.009 . 1 . . . . . . . . 5684 1 618 . 1 1 86 86 MET HB2 H 1 1.88 0.009 . 2 . . . . . . . . 5684 1 619 . 1 1 86 86 MET C C 13 180.4 1.875 . 1 . . . . . . . . 5684 1 620 . 1 1 86 86 MET CA C 13 54.57 1.875 . 1 . . . . . . . . 5684 1 621 . 1 1 86 86 MET CB C 13 28.47 1.875 . 1 . . . . . . . . 5684 1 622 . 1 1 86 86 MET N N 15 119.39 2 . 1 . . . . . . . . 5684 1 623 . 1 1 87 87 MET H H 1 8.18 0.009 . 1 . . . . . . . . 5684 1 624 . 1 1 87 87 MET HA H 1 3.82 0.009 . 1 . . . . . . . . 5684 1 625 . 1 1 87 87 MET HB2 H 1 2.35 0.009 . 2 . . . . . . . . 5684 1 626 . 1 1 87 87 MET C C 13 177.8 1.875 . 1 . . . . . . . . 5684 1 627 . 1 1 87 87 MET CA C 13 58.33 1.875 . 1 . . . . . . . . 5684 1 628 . 1 1 87 87 MET CB C 13 30.49 1.875 . 1 . . . . . . . . 5684 1 629 . 1 1 87 87 MET N N 15 121.21 2 . 1 . . . . . . . . 5684 1 630 . 1 1 88 88 VAL H H 1 8.39 0.009 . 1 . . . . . . . . 5684 1 631 . 1 1 88 88 VAL HA H 1 3.61 0.009 . 1 . . . . . . . . 5684 1 632 . 1 1 88 88 VAL HB H 1 2.24 0.009 . 1 . . . . . . . . 5684 1 633 . 1 1 88 88 VAL HG11 H 1 1.1 0.009 . 2 . . . . . . . . 5684 1 634 . 1 1 88 88 VAL HG12 H 1 1.1 0.009 . 2 . . . . . . . . 5684 1 635 . 1 1 88 88 VAL HG13 H 1 1.1 0.009 . 2 . . . . . . . . 5684 1 636 . 1 1 88 88 VAL HG21 H 1 1 0.009 . 2 . . . . . . . . 5684 1 637 . 1 1 88 88 VAL HG22 H 1 1 0.009 . 2 . . . . . . . . 5684 1 638 . 1 1 88 88 VAL HG23 H 1 1 0.009 . 2 . . . . . . . . 5684 1 639 . 1 1 88 88 VAL C C 13 178.8 1.875 . 1 . . . . . . . . 5684 1 640 . 1 1 88 88 VAL CA C 13 64.85 1.875 . 1 . . . . . . . . 5684 1 641 . 1 1 88 88 VAL CB C 13 29.95 1.875 . 1 . . . . . . . . 5684 1 642 . 1 1 88 88 VAL N N 15 121.9 2 . 1 . . . . . . . . 5684 1 643 . 1 1 89 89 PHE H H 1 8.32 0.009 . 1 . . . . . . . . 5684 1 644 . 1 1 89 89 PHE HA H 1 4.38 0.009 . 1 . . . . . . . . 5684 1 645 . 1 1 89 89 PHE HB2 H 1 3.4 0.009 . 2 . . . . . . . . 5684 1 646 . 1 1 89 89 PHE C C 13 179.1 1.875 . 1 . . . . . . . . 5684 1 647 . 1 1 89 89 PHE CA C 13 58.81 1.875 . 1 . . . . . . . . 5684 1 648 . 1 1 89 89 PHE CB C 13 36.95 1.875 . 1 . . . . . . . . 5684 1 649 . 1 1 89 89 PHE N N 15 122.4 2 . 1 . . . . . . . . 5684 1 650 . 1 1 90 90 LEU H H 1 9.08 0.009 . 1 . . . . . . . . 5684 1 651 . 1 1 90 90 LEU HA H 1 3.57 0.009 . 1 . . . . . . . . 5684 1 652 . 1 1 90 90 LEU HB2 H 1 1.06 0.009 . 2 . . . . . . . . 5684 1 653 . 1 1 90 90 LEU HG H 1 0.72 0.009 . 1 . . . . . . . . 5684 1 654 . 1 1 90 90 LEU C C 13 178.4 1.875 . 1 . . . . . . . . 5684 1 655 . 1 1 90 90 LEU CA C 13 55.62 1.875 . 1 . . . . . . . . 5684 1 656 . 1 1 90 90 LEU CB C 13 39.57 1.875 . 1 . . . . . . . . 5684 1 657 . 1 1 90 90 LEU N N 15 119.4 2 . 1 . . . . . . . . 5684 1 658 . 1 1 91 91 SER H H 1 8.05 0.009 . 1 . . . . . . . . 5684 1 659 . 1 1 91 91 SER HA H 1 4.02 0.009 . 1 . . . . . . . . 5684 1 660 . 1 1 91 91 SER C C 13 178.8 1.875 . 1 . . . . . . . . 5684 1 661 . 1 1 91 91 SER CA C 13 60.62 1.875 . 1 . . . . . . . . 5684 1 662 . 1 1 91 91 SER N N 15 112.55 2 . 1 . . . . . . . . 5684 1 663 . 1 1 92 92 SER H H 1 7.72 0.009 . 1 . . . . . . . . 5684 1 664 . 1 1 92 92 SER HA H 1 4.32 0.009 . 1 . . . . . . . . 5684 1 665 . 1 1 92 92 SER HB2 H 1 4.03 0.009 . 2 . . . . . . . . 5684 1 666 . 1 1 92 92 SER C C 13 180.8 1.875 . 1 . . . . . . . . 5684 1 667 . 1 1 92 92 SER CA C 13 59.22 1.875 . 1 . . . . . . . . 5684 1 668 . 1 1 92 92 SER CB C 13 60.92 1.875 . 1 . . . . . . . . 5684 1 669 . 1 1 92 92 SER N N 15 117 2 . 1 . . . . . . . . 5684 1 670 . 1 1 93 93 VAL H H 1 7.54 0.009 . 1 . . . . . . . . 5684 1 671 . 1 1 93 93 VAL HA H 1 3.66 0.009 . 1 . . . . . . . . 5684 1 672 . 1 1 93 93 VAL HB H 1 1.88 0.009 . 1 . . . . . . . . 5684 1 673 . 1 1 93 93 VAL HG11 H 1 0.68 0.009 . 2 . . . . . . . . 5684 1 674 . 1 1 93 93 VAL HG12 H 1 0.68 0.009 . 2 . . . . . . . . 5684 1 675 . 1 1 93 93 VAL HG13 H 1 0.68 0.009 . 2 . . . . . . . . 5684 1 676 . 1 1 93 93 VAL HG21 H 1 0.45 0.009 . 2 . . . . . . . . 5684 1 677 . 1 1 93 93 VAL HG22 H 1 0.45 0.009 . 2 . . . . . . . . 5684 1 678 . 1 1 93 93 VAL HG23 H 1 0.45 0.009 . 2 . . . . . . . . 5684 1 679 . 1 1 93 93 VAL C C 13 176.7 1.875 . 1 . . . . . . . . 5684 1 680 . 1 1 93 93 VAL CA C 13 63.05 1.875 . 1 . . . . . . . . 5684 1 681 . 1 1 93 93 VAL CB C 13 29.5 1.875 . 1 . . . . . . . . 5684 1 682 . 1 1 93 93 VAL N N 15 123 2 . 1 . . . . . . . . 5684 1 683 . 1 1 94 94 LEU H H 1 7.33 0.009 . 1 . . . . . . . . 5684 1 684 . 1 1 94 94 LEU HA H 1 3.89 0.009 . 1 . . . . . . . . 5684 1 685 . 1 1 94 94 LEU HB2 H 1 1.69 0.009 . 2 . . . . . . . . 5684 1 686 . 1 1 94 94 LEU HG H 1 1.34 0.009 . 1 . . . . . . . . 5684 1 687 . 1 1 94 94 LEU C C 13 177.6 1.875 . 1 . . . . . . . . 5684 1 688 . 1 1 94 94 LEU CA C 13 53.88 1.875 . 1 . . . . . . . . 5684 1 689 . 1 1 94 94 LEU CB C 13 40.93 1.875 . 1 . . . . . . . . 5684 1 690 . 1 1 94 94 LEU N N 15 117.7 2 . 1 . . . . . . . . 5684 1 691 . 1 1 95 95 GLU H H 1 7.29 0.009 . 1 . . . . . . . . 5684 1 692 . 1 1 95 95 GLU HA H 1 4.18 0.009 . 1 . . . . . . . . 5684 1 693 . 1 1 95 95 GLU HB2 H 1 2.05 0.009 . 2 . . . . . . . . 5684 1 694 . 1 1 95 95 GLU HG2 H 1 2.45 0.009 . 2 . . . . . . . . 5684 1 695 . 1 1 95 95 GLU C C 13 176.7 1.875 . 1 . . . . . . . . 5684 1 696 . 1 1 95 95 GLU CA C 13 55.38 1.875 . 1 . . . . . . . . 5684 1 697 . 1 1 95 95 GLU CB C 13 28.47 1.875 . 1 . . . . . . . . 5684 1 698 . 1 1 95 95 GLU N N 15 119.5 2 . 1 . . . . . . . . 5684 1 699 . 1 1 96 96 ASP H H 1 7.91 0.009 . 1 . . . . . . . . 5684 1 700 . 1 1 96 96 ASP HA H 1 4.44 0.009 . 1 . . . . . . . . 5684 1 701 . 1 1 96 96 ASP HB2 H 1 2.59 0.009 . 2 . . . . . . . . 5684 1 702 . 1 1 96 96 ASP C C 13 175.8 1.875 . 1 . . . . . . . . 5684 1 703 . 1 1 96 96 ASP CA C 13 54.35 1.875 . 1 . . . . . . . . 5684 1 704 . 1 1 96 96 ASP CB C 13 40.42 1.875 . 1 . . . . . . . . 5684 1 705 . 1 1 96 96 ASP N N 15 126.8 2 . 1 . . . . . . . . 5684 1 stop_ save_