data_5129 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5129 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for MTH1880 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-09-03 _Entry.Accession_date 2001-09-03 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Chang-Hun Lee . . . 5129 2 Weontae Lee . . . 5129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 660 5129 '13C chemical shifts' 286 5129 '15N chemical shifts' 95 5129 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 . . 2002-08-22 2001-09-03 original author . 5129 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5129 _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 'Solution structure of MTH1880 from Methanobacterium Thermoautotrophicum' _Citation.Status 'in preparation' _Citation.Type journal _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 . _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 Chang-Hun Lee . . . 5129 1 2 Weontae Lee . . . 5129 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Structural Genomics' 5129 1 'Calcium Binding' 5129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTH1880 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTH1880 _Assembly.Entry_ID 5129 _Assembly.ID 1 _Assembly.Name 'MTH1880 without calcium' _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 5129 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 MTH1880 1 $MTH1880 . . . native . . . . . 5129 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MTH1880 without calcium' system 5129 1 MTH1880 abbreviation 5129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTH1880 _Entity.Sf_category entity _Entity.Sf_framecode MTH1880 _Entity.Entry_ID 5129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTH1880 _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 ; LFIATLKGIFTLKDLPEEFR PFVDYKAGLEKKKLSDDDEI AIISIKGTQSNHVLFLSSYN SVDEIRKELEEAGAKINHTT LKILEGHL ; _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 88 _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 PDB 1IQO . "Solution Structure Of Mth1880 From Methanobacterium Thermoautotrophicum" . . . . . 100.00 88 100.00 100.00 2.65e-54 . . . . 5129 1 2 no PDB 1IQS . "Minimized Average Structure Of Mth1880 From Methanobacterium Thermoautotrophicum" . . . . . 100.00 88 100.00 100.00 2.65e-54 . . . . 5129 1 3 no GB AAB86346 . "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 88 98.86 100.00 3.56e-54 . . . . 5129 1 4 no REF NP_276986 . "hypothetical protein MTH1880 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 88 98.86 100.00 3.56e-54 . . . . 5129 1 5 no REF WP_010877482 . "hypothetical protein [Methanothermobacter thermautotrophicus]" . . . . . 100.00 88 98.86 100.00 3.56e-54 . . . . 5129 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MTH1880 common 5129 1 MTH1880 abbreviation 5129 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 . LEU . 5129 1 2 . PHE . 5129 1 3 . ILE . 5129 1 4 . ALA . 5129 1 5 . THR . 5129 1 6 . LEU . 5129 1 7 . LYS . 5129 1 8 . GLY . 5129 1 9 . ILE . 5129 1 10 . PHE . 5129 1 11 . THR . 5129 1 12 . LEU . 5129 1 13 . LYS . 5129 1 14 . ASP . 5129 1 15 . LEU . 5129 1 16 . PRO . 5129 1 17 . GLU . 5129 1 18 . GLU . 5129 1 19 . PHE . 5129 1 20 . ARG . 5129 1 21 . PRO . 5129 1 22 . PHE . 5129 1 23 . VAL . 5129 1 24 . ASP . 5129 1 25 . TYR . 5129 1 26 . LYS . 5129 1 27 . ALA . 5129 1 28 . GLY . 5129 1 29 . LEU . 5129 1 30 . GLU . 5129 1 31 . LYS . 5129 1 32 . LYS . 5129 1 33 . LYS . 5129 1 34 . LEU . 5129 1 35 . SER . 5129 1 36 . ASP . 5129 1 37 . ASP . 5129 1 38 . ASP . 5129 1 39 . GLU . 5129 1 40 . ILE . 5129 1 41 . ALA . 5129 1 42 . ILE . 5129 1 43 . ILE . 5129 1 44 . SER . 5129 1 45 . ILE . 5129 1 46 . LYS . 5129 1 47 . GLY . 5129 1 48 . THR . 5129 1 49 . GLN . 5129 1 50 . SER . 5129 1 51 . ASN . 5129 1 52 . HIS . 5129 1 53 . VAL . 5129 1 54 . LEU . 5129 1 55 . PHE . 5129 1 56 . LEU . 5129 1 57 . SER . 5129 1 58 . SER . 5129 1 59 . TYR . 5129 1 60 . ASN . 5129 1 61 . SER . 5129 1 62 . VAL . 5129 1 63 . ASP . 5129 1 64 . GLU . 5129 1 65 . ILE . 5129 1 66 . ARG . 5129 1 67 . LYS . 5129 1 68 . GLU . 5129 1 69 . LEU . 5129 1 70 . GLU . 5129 1 71 . GLU . 5129 1 72 . ALA . 5129 1 73 . GLY . 5129 1 74 . ALA . 5129 1 75 . LYS . 5129 1 76 . ILE . 5129 1 77 . ASN . 5129 1 78 . HIS . 5129 1 79 . THR . 5129 1 80 . THR . 5129 1 81 . LEU . 5129 1 82 . LYS . 5129 1 83 . ILE . 5129 1 84 . LEU . 5129 1 85 . GLU . 5129 1 86 . GLY . 5129 1 87 . HIS . 5129 1 88 . LEU . 5129 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 . LEU 1 1 5129 1 . PHE 2 2 5129 1 . ILE 3 3 5129 1 . ALA 4 4 5129 1 . THR 5 5 5129 1 . LEU 6 6 5129 1 . LYS 7 7 5129 1 . GLY 8 8 5129 1 . ILE 9 9 5129 1 . PHE 10 10 5129 1 . THR 11 11 5129 1 . LEU 12 12 5129 1 . LYS 13 13 5129 1 . ASP 14 14 5129 1 . LEU 15 15 5129 1 . PRO 16 16 5129 1 . GLU 17 17 5129 1 . GLU 18 18 5129 1 . PHE 19 19 5129 1 . ARG 20 20 5129 1 . PRO 21 21 5129 1 . PHE 22 22 5129 1 . VAL 23 23 5129 1 . ASP 24 24 5129 1 . TYR 25 25 5129 1 . LYS 26 26 5129 1 . ALA 27 27 5129 1 . GLY 28 28 5129 1 . LEU 29 29 5129 1 . GLU 30 30 5129 1 . LYS 31 31 5129 1 . LYS 32 32 5129 1 . LYS 33 33 5129 1 . LEU 34 34 5129 1 . SER 35 35 5129 1 . ASP 36 36 5129 1 . ASP 37 37 5129 1 . ASP 38 38 5129 1 . GLU 39 39 5129 1 . ILE 40 40 5129 1 . ALA 41 41 5129 1 . ILE 42 42 5129 1 . ILE 43 43 5129 1 . SER 44 44 5129 1 . ILE 45 45 5129 1 . LYS 46 46 5129 1 . GLY 47 47 5129 1 . THR 48 48 5129 1 . GLN 49 49 5129 1 . SER 50 50 5129 1 . ASN 51 51 5129 1 . HIS 52 52 5129 1 . VAL 53 53 5129 1 . LEU 54 54 5129 1 . PHE 55 55 5129 1 . LEU 56 56 5129 1 . SER 57 57 5129 1 . SER 58 58 5129 1 . TYR 59 59 5129 1 . ASN 60 60 5129 1 . SER 61 61 5129 1 . VAL 62 62 5129 1 . ASP 63 63 5129 1 . GLU 64 64 5129 1 . ILE 65 65 5129 1 . ARG 66 66 5129 1 . LYS 67 67 5129 1 . GLU 68 68 5129 1 . LEU 69 69 5129 1 . GLU 70 70 5129 1 . GLU 71 71 5129 1 . ALA 72 72 5129 1 . GLY 73 73 5129 1 . ALA 74 74 5129 1 . LYS 75 75 5129 1 . ILE 76 76 5129 1 . ASN 77 77 5129 1 . HIS 78 78 5129 1 . THR 79 79 5129 1 . THR 80 80 5129 1 . LEU 81 81 5129 1 . LYS 82 82 5129 1 . ILE 83 83 5129 1 . LEU 84 84 5129 1 . GLU 85 85 5129 1 . GLY 86 86 5129 1 . HIS 87 87 5129 1 . LEU 88 88 5129 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 5129 _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 $MTH1880 . 145262 . . 'Methanobacterium thermoautotrophicum' 'Methanothermobacter thermoautotrophicus' . . Archaea Euryarchaeota Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 5129 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 5129 _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 $MTH1880 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5129 _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 MTH1880 . . . 1 $MTH1880 . . 2.0 . . mM . . . . 5129 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5129 _Sample.ID 2 _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 MTH1880 [U-15N] . . 1 $MTH1880 . . 2.0 . . mM . . . . 5129 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5129 _Sample.ID 3 _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 MTH1880 '[U-15N; U-13C]' . . 1 $MTH1880 . . 2.0 . . mM . . . . 5129 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5129 _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 n/a 5129 1 temperature 298 1 K 5129 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5129 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5129 _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_spectrometer_1 Varian INOVA . 500 . . . 5129 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 5129 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 5129 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 8 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 1 9 '1H-13C TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5129 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 5129 _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 5129 _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 5129 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 5129 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _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 5129 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5129 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _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 5129 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _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 5129 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-13C 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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5129 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C 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 5129 _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 . . . . . . . . . 5129 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5129 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5129 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 5129 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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' . . . 5129 1 2 '1H-15N TOCSY' . . . 5129 1 3 HNCA . . . 5129 1 4 HN(CO)CA . . . 5129 1 5 HNCACB . . . 5129 1 6 CBCA(CO)NH . . . 5129 1 7 HNHA . . . 5129 1 8 '1H-13C NOESY' . . . 5129 1 9 '1H-13C TOCSY' . . . 5129 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PHE H H 1 7.636 0.007 . 1 . . . . . . . . 5129 1 2 . 1 1 2 2 PHE HA H 1 4.499 0.007 . 1 . . . . . . . . 5129 1 3 . 1 1 2 2 PHE HB2 H 1 2.975 0.007 . 1 . . . . . . . . 5129 1 4 . 1 1 2 2 PHE HB3 H 1 2.975 0.007 . 1 . . . . . . . . 5129 1 5 . 1 1 2 2 PHE HD1 H 1 7.25 0.007 . 1 . . . . . . . . 5129 1 6 . 1 1 2 2 PHE HD2 H 1 7.25 0.007 . 1 . . . . . . . . 5129 1 7 . 1 1 2 2 PHE HE1 H 1 7.29 0.007 . 1 . . . . . . . . 5129 1 8 . 1 1 2 2 PHE HE2 H 1 7.29 0.007 . 1 . . . . . . . . 5129 1 9 . 1 1 2 2 PHE HZ H 1 7.34 0.007 . 1 . . . . . . . . 5129 1 10 . 1 1 2 2 PHE CA C 13 58.17 0.293 . 1 . . . . . . . . 5129 1 11 . 1 1 2 2 PHE CB C 13 41.47 0.293 . 1 . . . . . . . . 5129 1 12 . 1 1 2 2 PHE N N 15 118.9 0.313 . 1 . . . . . . . . 5129 1 13 . 1 1 3 3 ILE H H 1 8.411 0.007 . 1 . . . . . . . . 5129 1 14 . 1 1 3 3 ILE HA H 1 4.298 0.007 . 1 . . . . . . . . 5129 1 15 . 1 1 3 3 ILE HB H 1 1.783 0.007 . 1 . . . . . . . . 5129 1 16 . 1 1 3 3 ILE HG12 H 1 1.479 0.007 . 1 . . . . . . . . 5129 1 17 . 1 1 3 3 ILE HG13 H 1 1.232 0.007 . 1 . . . . . . . . 5129 1 18 . 1 1 3 3 ILE HG21 H 1 0.808 0.007 . 1 . . . . . . . . 5129 1 19 . 1 1 3 3 ILE HG22 H 1 0.808 0.007 . 1 . . . . . . . . 5129 1 20 . 1 1 3 3 ILE HG23 H 1 0.808 0.007 . 1 . . . . . . . . 5129 1 21 . 1 1 3 3 ILE HD11 H 1 0.202 0.007 . 1 . . . . . . . . 5129 1 22 . 1 1 3 3 ILE HD12 H 1 0.202 0.007 . 1 . . . . . . . . 5129 1 23 . 1 1 3 3 ILE HD13 H 1 0.202 0.007 . 1 . . . . . . . . 5129 1 24 . 1 1 3 3 ILE CA C 13 60.38 0.293 . 1 . . . . . . . . 5129 1 25 . 1 1 3 3 ILE CB C 13 38.55 0.293 . 1 . . . . . . . . 5129 1 26 . 1 1 3 3 ILE CG1 C 13 23.15 0.293 . 1 . . . . . . . . 5129 1 27 . 1 1 3 3 ILE CG2 C 13 14.44 0.293 . 1 . . . . . . . . 5129 1 28 . 1 1 3 3 ILE CD1 C 13 12.53 0.293 . 1 . . . . . . . . 5129 1 29 . 1 1 3 3 ILE N N 15 122 0.313 . 1 . . . . . . . . 5129 1 30 . 1 1 4 4 ALA H H 1 8.448 0.007 . 1 . . . . . . . . 5129 1 31 . 1 1 4 4 ALA HA H 1 5.021 0.007 . 1 . . . . . . . . 5129 1 32 . 1 1 4 4 ALA HB1 H 1 0.969 0.007 . 1 . . . . . . . . 5129 1 33 . 1 1 4 4 ALA HB2 H 1 0.969 0.007 . 1 . . . . . . . . 5129 1 34 . 1 1 4 4 ALA HB3 H 1 0.969 0.007 . 1 . . . . . . . . 5129 1 35 . 1 1 4 4 ALA CA C 13 50.25 0.293 . 1 . . . . . . . . 5129 1 36 . 1 1 4 4 ALA CB C 13 20.96 0.293 . 1 . . . . . . . . 5129 1 37 . 1 1 4 4 ALA N N 15 130.3 0.313 . 1 . . . . . . . . 5129 1 38 . 1 1 5 5 THR H H 1 8.803 0.007 . 1 . . . . . . . . 5129 1 39 . 1 1 5 5 THR HA H 1 4.513 0.007 . 1 . . . . . . . . 5129 1 40 . 1 1 5 5 THR HB H 1 4.194 0.007 . 1 . . . . . . . . 5129 1 41 . 1 1 5 5 THR HG21 H 1 1.463 0.007 . 1 . . . . . . . . 5129 1 42 . 1 1 5 5 THR HG22 H 1 1.463 0.007 . 1 . . . . . . . . 5129 1 43 . 1 1 5 5 THR HG23 H 1 1.463 0.007 . 1 . . . . . . . . 5129 1 44 . 1 1 5 5 THR CA C 13 60.04 0.293 . 1 . . . . . . . . 5129 1 45 . 1 1 5 5 THR CB C 13 71.2 0.293 . 1 . . . . . . . . 5129 1 46 . 1 1 5 5 THR CG2 C 13 18.83 0.293 . 1 . . . . . . . . 5129 1 47 . 1 1 5 5 THR N N 15 114.7 0.313 . 1 . . . . . . . . 5129 1 48 . 1 1 6 6 LEU H H 1 8.764 0.007 . 1 . . . . . . . . 5129 1 49 . 1 1 6 6 LEU HA H 1 4.336 0.007 . 1 . . . . . . . . 5129 1 50 . 1 1 6 6 LEU HB2 H 1 1.854 0.007 . 1 . . . . . . . . 5129 1 51 . 1 1 6 6 LEU HB3 H 1 1.854 0.007 . 1 . . . . . . . . 5129 1 52 . 1 1 6 6 LEU HG H 1 1.381 0.007 . 1 . . . . . . . . 5129 1 53 . 1 1 6 6 LEU HD11 H 1 0.645 0.007 . 2 . . . . . . . . 5129 1 54 . 1 1 6 6 LEU HD12 H 1 0.645 0.007 . 2 . . . . . . . . 5129 1 55 . 1 1 6 6 LEU HD13 H 1 0.645 0.007 . 2 . . . . . . . . 5129 1 56 . 1 1 6 6 LEU HD21 H 1 0.436 0.007 . 2 . . . . . . . . 5129 1 57 . 1 1 6 6 LEU HD22 H 1 0.436 0.007 . 2 . . . . . . . . 5129 1 58 . 1 1 6 6 LEU HD23 H 1 0.436 0.007 . 2 . . . . . . . . 5129 1 59 . 1 1 6 6 LEU CA C 13 54.85 0.293 . 1 . . . . . . . . 5129 1 60 . 1 1 6 6 LEU CB C 13 48.48 0.293 . 1 . . . . . . . . 5129 1 61 . 1 1 6 6 LEU CG C 13 24.69 0.293 . 1 . . . . . . . . 5129 1 62 . 1 1 6 6 LEU CD1 C 13 20.9 0.293 . 2 . . . . . . . . 5129 1 63 . 1 1 6 6 LEU CD2 C 13 21.72 0.293 . 2 . . . . . . . . 5129 1 64 . 1 1 6 6 LEU N N 15 125.9 0.313 . 1 . . . . . . . . 5129 1 65 . 1 1 7 7 LYS H H 1 9.136 0.007 . 1 . . . . . . . . 5129 1 66 . 1 1 7 7 LYS HA H 1 4.37 0.007 . 1 . . . . . . . . 5129 1 67 . 1 1 7 7 LYS HB2 H 1 1.644 0.007 . 1 . . . . . . . . 5129 1 68 . 1 1 7 7 LYS HB3 H 1 1.644 0.007 . 1 . . . . . . . . 5129 1 69 . 1 1 7 7 LYS HG2 H 1 1.38 0.007 . 1 . . . . . . . . 5129 1 70 . 1 1 7 7 LYS HG3 H 1 1.38 0.007 . 1 . . . . . . . . 5129 1 71 . 1 1 7 7 LYS HD2 H 1 1.366 0.007 . 1 . . . . . . . . 5129 1 72 . 1 1 7 7 LYS HD3 H 1 1.366 0.007 . 1 . . . . . . . . 5129 1 73 . 1 1 7 7 LYS HE2 H 1 2.943 0.007 . 1 . . . . . . . . 5129 1 74 . 1 1 7 7 LYS HE3 H 1 2.943 0.007 . 1 . . . . . . . . 5129 1 75 . 1 1 7 7 LYS CA C 13 56.82 0.293 . 1 . . . . . . . . 5129 1 76 . 1 1 7 7 LYS CB C 13 32.08 0.293 . 1 . . . . . . . . 5129 1 77 . 1 1 7 7 LYS CG C 13 24.26 0.293 . 1 . . . . . . . . 5129 1 78 . 1 1 7 7 LYS CD C 13 25.95 0.293 . 1 . . . . . . . . 5129 1 79 . 1 1 7 7 LYS CE C 13 40.58 0.293 . 1 . . . . . . . . 5129 1 80 . 1 1 7 7 LYS N N 15 129.9 0.313 . 1 . . . . . . . . 5129 1 81 . 1 1 8 8 GLY H H 1 6.957 0.007 . 1 . . . . . . . . 5129 1 82 . 1 1 8 8 GLY HA2 H 1 3.751 0.007 . 1 . . . . . . . . 5129 1 83 . 1 1 8 8 GLY HA3 H 1 3.521 0.007 . 1 . . . . . . . . 5129 1 84 . 1 1 8 8 GLY CA C 13 45.01 0.293 . 1 . . . . . . . . 5129 1 85 . 1 1 8 8 GLY N N 15 102.7 0.313 . 1 . . . . . . . . 5129 1 86 . 1 1 9 9 ILE H H 1 7.409 0.007 . 1 . . . . . . . . 5129 1 87 . 1 1 9 9 ILE HA H 1 4.476 0.007 . 1 . . . . . . . . 5129 1 88 . 1 1 9 9 ILE HB H 1 1.172 0.007 . 1 . . . . . . . . 5129 1 89 . 1 1 9 9 ILE HG12 H 1 1.1 0.007 . 1 . . . . . . . . 5129 1 90 . 1 1 9 9 ILE HG13 H 1 1.1 0.007 . 1 . . . . . . . . 5129 1 91 . 1 1 9 9 ILE HG21 H 1 0.299 0.007 . 1 . . . . . . . . 5129 1 92 . 1 1 9 9 ILE HG22 H 1 0.299 0.007 . 1 . . . . . . . . 5129 1 93 . 1 1 9 9 ILE HG23 H 1 0.299 0.007 . 1 . . . . . . . . 5129 1 94 . 1 1 9 9 ILE HD11 H 1 0.115 0.007 . 1 . . . . . . . . 5129 1 95 . 1 1 9 9 ILE HD12 H 1 0.115 0.007 . 1 . . . . . . . . 5129 1 96 . 1 1 9 9 ILE HD13 H 1 0.115 0.007 . 1 . . . . . . . . 5129 1 97 . 1 1 9 9 ILE CA C 13 60.55 0.293 . 1 . . . . . . . . 5129 1 98 . 1 1 9 9 ILE CB C 13 39.25 0.293 . 1 . . . . . . . . 5129 1 99 . 1 1 9 9 ILE CG1 C 13 25.76 0.293 . 1 . . . . . . . . 5129 1 100 . 1 1 9 9 ILE CG2 C 13 17.47 0.293 . 1 . . . . . . . . 5129 1 101 . 1 1 9 9 ILE CD1 C 13 13.76 0.293 . 1 . . . . . . . . 5129 1 102 . 1 1 9 9 ILE N N 15 119.7 0.313 . 1 . . . . . . . . 5129 1 103 . 1 1 10 10 PHE H H 1 9.115 0.007 . 1 . . . . . . . . 5129 1 104 . 1 1 10 10 PHE HA H 1 5.141 0.007 . 1 . . . . . . . . 5129 1 105 . 1 1 10 10 PHE HB2 H 1 3.549 0.007 . 1 . . . . . . . . 5129 1 106 . 1 1 10 10 PHE HB3 H 1 3.549 0.007 . 1 . . . . . . . . 5129 1 107 . 1 1 10 10 PHE HD1 H 1 7.271 0.007 . 1 . . . . . . . . 5129 1 108 . 1 1 10 10 PHE HD2 H 1 7.271 0.007 . 1 . . . . . . . . 5129 1 109 . 1 1 10 10 PHE HE1 H 1 7.032 0.007 . 1 . . . . . . . . 5129 1 110 . 1 1 10 10 PHE HE2 H 1 7.032 0.007 . 1 . . . . . . . . 5129 1 111 . 1 1 10 10 PHE HZ H 1 6.913 0.007 . 1 . . . . . . . . 5129 1 112 . 1 1 10 10 PHE CA C 13 55.88 0.293 . 1 . . . . . . . . 5129 1 113 . 1 1 10 10 PHE CB C 13 44.66 0.293 . 1 . . . . . . . . 5129 1 114 . 1 1 10 10 PHE N N 15 126.3 0.313 . 1 . . . . . . . . 5129 1 115 . 1 1 11 11 THR H H 1 8.962 0.007 . 1 . . . . . . . . 5129 1 116 . 1 1 11 11 THR HA H 1 5.085 0.007 . 1 . . . . . . . . 5129 1 117 . 1 1 11 11 THR HB H 1 4.902 0.007 . 1 . . . . . . . . 5129 1 118 . 1 1 11 11 THR HG21 H 1 1.803 0.007 . 1 . . . . . . . . 5129 1 119 . 1 1 11 11 THR HG22 H 1 1.803 0.007 . 1 . . . . . . . . 5129 1 120 . 1 1 11 11 THR HG23 H 1 1.803 0.007 . 1 . . . . . . . . 5129 1 121 . 1 1 11 11 THR CA C 13 60.91 0.293 . 1 . . . . . . . . 5129 1 122 . 1 1 11 11 THR CB C 13 71.7 0.293 . 1 . . . . . . . . 5129 1 123 . 1 1 11 11 THR CG2 C 13 19.98 0.293 . 1 . . . . . . . . 5129 1 124 . 1 1 11 11 THR N N 15 112 0.313 . 1 . . . . . . . . 5129 1 125 . 1 1 12 12 LEU H H 1 9.316 0.007 . 1 . . . . . . . . 5129 1 126 . 1 1 12 12 LEU HA H 1 3.925 0.007 . 1 . . . . . . . . 5129 1 127 . 1 1 12 12 LEU HB2 H 1 1.553 0.007 . 1 . . . . . . . . 5129 1 128 . 1 1 12 12 LEU HB3 H 1 1.553 0.007 . 1 . . . . . . . . 5129 1 129 . 1 1 12 12 LEU HG H 1 1.514 0.007 . 1 . . . . . . . . 5129 1 130 . 1 1 12 12 LEU HD11 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 131 . 1 1 12 12 LEU HD12 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 132 . 1 1 12 12 LEU HD13 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 133 . 1 1 12 12 LEU HD21 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 134 . 1 1 12 12 LEU HD22 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 135 . 1 1 12 12 LEU HD23 H 1 0.726 0.007 . 1 . . . . . . . . 5129 1 136 . 1 1 12 12 LEU CA C 13 58.43 0.293 . 1 . . . . . . . . 5129 1 137 . 1 1 12 12 LEU CB C 13 41.87 0.293 . 1 . . . . . . . . 5129 1 138 . 1 1 12 12 LEU CG C 13 23.8 0.293 . 1 . . . . . . . . 5129 1 139 . 1 1 12 12 LEU CD1 C 13 25.48 0.293 . 1 . . . . . . . . 5129 1 140 . 1 1 12 12 LEU CD2 C 13 25.48 0.293 . 1 . . . . . . . . 5129 1 141 . 1 1 12 12 LEU N N 15 121.5 0.313 . 1 . . . . . . . . 5129 1 142 . 1 1 13 13 LYS H H 1 8.095 0.007 . 1 . . . . . . . . 5129 1 143 . 1 1 13 13 LYS HA H 1 4.048 0.007 . 1 . . . . . . . . 5129 1 144 . 1 1 13 13 LYS HB2 H 1 1.735 0.007 . 1 . . . . . . . . 5129 1 145 . 1 1 13 13 LYS HB3 H 1 1.735 0.007 . 1 . . . . . . . . 5129 1 146 . 1 1 13 13 LYS HG2 H 1 1.365 0.007 . 1 . . . . . . . . 5129 1 147 . 1 1 13 13 LYS HG3 H 1 1.365 0.007 . 1 . . . . . . . . 5129 1 148 . 1 1 13 13 LYS HD2 H 1 1.6 0.007 . 1 . . . . . . . . 5129 1 149 . 1 1 13 13 LYS HD3 H 1 1.6 0.007 . 1 . . . . . . . . 5129 1 150 . 1 1 13 13 LYS HE2 H 1 2.967 0.007 . 1 . . . . . . . . 5129 1 151 . 1 1 13 13 LYS HE3 H 1 2.967 0.007 . 1 . . . . . . . . 5129 1 152 . 1 1 13 13 LYS CA C 13 58.52 0.293 . 1 . . . . . . . . 5129 1 153 . 1 1 13 13 LYS CB C 13 32.23 0.293 . 1 . . . . . . . . 5129 1 154 . 1 1 13 13 LYS CG C 13 24.79 0.293 . 1 . . . . . . . . 5129 1 155 . 1 1 13 13 LYS CD C 13 26.37 0.293 . 1 . . . . . . . . 5129 1 156 . 1 1 13 13 LYS CE C 13 42.14 0.293 . 1 . . . . . . . . 5129 1 157 . 1 1 13 13 LYS N N 15 115.5 0.313 . 1 . . . . . . . . 5129 1 158 . 1 1 14 14 ASP H H 1 7.606 0.007 . 1 . . . . . . . . 5129 1 159 . 1 1 14 14 ASP HA H 1 4.75 0.007 . 1 . . . . . . . . 5129 1 160 . 1 1 14 14 ASP HB2 H 1 2.702 0.007 . 1 . . . . . . . . 5129 1 161 . 1 1 14 14 ASP HB3 H 1 2.921 0.007 . 1 . . . . . . . . 5129 1 162 . 1 1 14 14 ASP CA C 13 53.09 0.293 . 1 . . . . . . . . 5129 1 163 . 1 1 14 14 ASP CB C 13 41.52 0.293 . 1 . . . . . . . . 5129 1 164 . 1 1 14 14 ASP N N 15 117.3 0.313 . 1 . . . . . . . . 5129 1 165 . 1 1 15 15 LEU H H 1 7.467 0.007 . 1 . . . . . . . . 5129 1 166 . 1 1 15 15 LEU HA H 1 3.725 0.007 . 1 . . . . . . . . 5129 1 167 . 1 1 15 15 LEU HB2 H 1 1.677 0.007 . 1 . . . . . . . . 5129 1 168 . 1 1 15 15 LEU HB3 H 1 1.677 0.007 . 1 . . . . . . . . 5129 1 169 . 1 1 15 15 LEU HG H 1 1.608 0.007 . 1 . . . . . . . . 5129 1 170 . 1 1 15 15 LEU HD11 H 1 0.683 0.007 . 2 . . . . . . . . 5129 1 171 . 1 1 15 15 LEU HD12 H 1 0.683 0.007 . 2 . . . . . . . . 5129 1 172 . 1 1 15 15 LEU HD13 H 1 0.683 0.007 . 2 . . . . . . . . 5129 1 173 . 1 1 15 15 LEU HD21 H 1 0.475 0.007 . 2 . . . . . . . . 5129 1 174 . 1 1 15 15 LEU HD22 H 1 0.475 0.007 . 2 . . . . . . . . 5129 1 175 . 1 1 15 15 LEU HD23 H 1 0.475 0.007 . 2 . . . . . . . . 5129 1 176 . 1 1 15 15 LEU CA C 13 53.28 0.293 . 1 . . . . . . . . 5129 1 177 . 1 1 15 15 LEU CB C 13 43.76 0.293 . 1 . . . . . . . . 5129 1 178 . 1 1 15 15 LEU CG C 13 25.3 0.293 . 1 . . . . . . . . 5129 1 179 . 1 1 15 15 LEU CD1 C 13 23.96 0.293 . 2 . . . . . . . . 5129 1 180 . 1 1 15 15 LEU CD2 C 13 23.8 0.293 . 2 . . . . . . . . 5129 1 181 . 1 1 15 15 LEU N N 15 124.4 0.313 . 1 . . . . . . . . 5129 1 182 . 1 1 16 16 PRO HA H 1 4.306 0.007 . 1 . . . . . . . . 5129 1 183 . 1 1 16 16 PRO HB2 H 1 2.173 0.007 . 1 . . . . . . . . 5129 1 184 . 1 1 16 16 PRO HB3 H 1 2.173 0.007 . 1 . . . . . . . . 5129 1 185 . 1 1 16 16 PRO HG2 H 1 1.952 0.007 . 1 . . . . . . . . 5129 1 186 . 1 1 16 16 PRO HG3 H 1 1.793 0.007 . 1 . . . . . . . . 5129 1 187 . 1 1 16 16 PRO HD2 H 1 3.75 0.007 . 1 . . . . . . . . 5129 1 188 . 1 1 16 16 PRO HD3 H 1 3.547 0.007 . 1 . . . . . . . . 5129 1 189 . 1 1 16 16 PRO CA C 13 63.26 0.293 . 1 . . . . . . . . 5129 1 190 . 1 1 16 16 PRO CB C 13 32.24 0.293 . 1 . . . . . . . . 5129 1 191 . 1 1 16 16 PRO CG C 13 26.34 0.293 . 1 . . . . . . . . 5129 1 192 . 1 1 16 16 PRO CD C 13 50.94 0.293 . 1 . . . . . . . . 5129 1 193 . 1 1 17 17 GLU H H 1 8.643 0.007 . 1 . . . . . . . . 5129 1 194 . 1 1 17 17 GLU HA H 1 4.007 0.007 . 1 . . . . . . . . 5129 1 195 . 1 1 17 17 GLU HB2 H 1 2.461 0.007 . 1 . . . . . . . . 5129 1 196 . 1 1 17 17 GLU HB3 H 1 2.461 0.007 . 1 . . . . . . . . 5129 1 197 . 1 1 17 17 GLU HG2 H 1 2.282 0.007 . 1 . . . . . . . . 5129 1 198 . 1 1 17 17 GLU HG3 H 1 2.282 0.007 . 1 . . . . . . . . 5129 1 199 . 1 1 17 17 GLU CA C 13 59.44 0.293 . 1 . . . . . . . . 5129 1 200 . 1 1 17 17 GLU CB C 13 29.57 0.293 . 1 . . . . . . . . 5129 1 201 . 1 1 17 17 GLU CG C 13 37.16 0.293 . 1 . . . . . . . . 5129 1 202 . 1 1 17 17 GLU N N 15 125.4 0.313 . 1 . . . . . . . . 5129 1 203 . 1 1 18 18 GLU H H 1 9.139 0.007 . 1 . . . . . . . . 5129 1 204 . 1 1 18 18 GLU HA H 1 3.968 0.007 . 1 . . . . . . . . 5129 1 205 . 1 1 18 18 GLU HB2 H 1 2.139 0.007 . 1 . . . . . . . . 5129 1 206 . 1 1 18 18 GLU HB3 H 1 2.139 0.007 . 1 . . . . . . . . 5129 1 207 . 1 1 18 18 GLU HG2 H 1 2.428 0.007 . 1 . . . . . . . . 5129 1 208 . 1 1 18 18 GLU HG3 H 1 2.428 0.007 . 1 . . . . . . . . 5129 1 209 . 1 1 18 18 GLU CA C 13 58.16 0.293 . 1 . . . . . . . . 5129 1 210 . 1 1 18 18 GLU CB C 13 28.63 0.293 . 1 . . . . . . . . 5129 1 211 . 1 1 18 18 GLU CG C 13 37 0.293 . 1 . . . . . . . . 5129 1 212 . 1 1 18 18 GLU N N 15 117.9 0.313 . 1 . . . . . . . . 5129 1 213 . 1 1 19 19 PHE H H 1 7.501 0.007 . 1 . . . . . . . . 5129 1 214 . 1 1 19 19 PHE HA H 1 5.021 0.007 . 1 . . . . . . . . 5129 1 215 . 1 1 19 19 PHE HB2 H 1 2.511 0.007 . 1 . . . . . . . . 5129 1 216 . 1 1 19 19 PHE HB3 H 1 3.282 0.007 . 1 . . . . . . . . 5129 1 217 . 1 1 19 19 PHE HD1 H 1 7.365 0.007 . 1 . . . . . . . . 5129 1 218 . 1 1 19 19 PHE HD2 H 1 7.365 0.007 . 1 . . . . . . . . 5129 1 219 . 1 1 19 19 PHE HE1 H 1 7.54 0.007 . 1 . . . . . . . . 5129 1 220 . 1 1 19 19 PHE HE2 H 1 7.54 0.007 . 1 . . . . . . . . 5129 1 221 . 1 1 19 19 PHE HZ H 1 7.183 0.007 . 1 . . . . . . . . 5129 1 222 . 1 1 19 19 PHE CA C 13 56.42 0.293 . 1 . . . . . . . . 5129 1 223 . 1 1 19 19 PHE CB C 13 39.74 0.293 . 1 . . . . . . . . 5129 1 224 . 1 1 19 19 PHE N N 15 114.6 0.313 . 1 . . . . . . . . 5129 1 225 . 1 1 20 20 ARG H H 1 7.71 0.007 . 1 . . . . . . . . 5129 1 226 . 1 1 20 20 ARG HA H 1 4.423 0.007 . 1 . . . . . . . . 5129 1 227 . 1 1 20 20 ARG HB2 H 1 2.039 0.007 . 1 . . . . . . . . 5129 1 228 . 1 1 20 20 ARG HB3 H 1 2.039 0.007 . 1 . . . . . . . . 5129 1 229 . 1 1 20 20 ARG HG2 H 1 1.616 0.007 . 1 . . . . . . . . 5129 1 230 . 1 1 20 20 ARG HG3 H 1 1.616 0.007 . 1 . . . . . . . . 5129 1 231 . 1 1 20 20 ARG HD2 H 1 3.037 0.007 . 1 . . . . . . . . 5129 1 232 . 1 1 20 20 ARG HD3 H 1 3.037 0.007 . 1 . . . . . . . . 5129 1 233 . 1 1 20 20 ARG CA C 13 60.45 0.293 . 1 . . . . . . . . 5129 1 234 . 1 1 20 20 ARG CB C 13 27.3 0.293 . 1 . . . . . . . . 5129 1 235 . 1 1 20 20 ARG CG C 13 25.13 0.293 . 1 . . . . . . . . 5129 1 236 . 1 1 20 20 ARG CD C 13 42.37 0.293 . 1 . . . . . . . . 5129 1 237 . 1 1 20 20 ARG N N 15 122.5 0.313 . 1 . . . . . . . . 5129 1 238 . 1 1 21 21 PRO HA H 1 4.35 0.007 . 1 . . . . . . . . 5129 1 239 . 1 1 21 21 PRO HB2 H 1 2.193 0.007 . 1 . . . . . . . . 5129 1 240 . 1 1 21 21 PRO HB3 H 1 2.193 0.007 . 1 . . . . . . . . 5129 1 241 . 1 1 21 21 PRO HG2 H 1 2.156 0.007 . 1 . . . . . . . . 5129 1 242 . 1 1 21 21 PRO HG3 H 1 2.156 0.007 . 1 . . . . . . . . 5129 1 243 . 1 1 21 21 PRO HD2 H 1 3.819 0.007 . 1 . . . . . . . . 5129 1 244 . 1 1 21 21 PRO HD3 H 1 3.819 0.007 . 1 . . . . . . . . 5129 1 245 . 1 1 21 21 PRO CA C 13 66.04 0.293 . 1 . . . . . . . . 5129 1 246 . 1 1 21 21 PRO CB C 13 31 0.293 . 1 . . . . . . . . 5129 1 247 . 1 1 21 21 PRO CG C 13 25.16 0.293 . 1 . . . . . . . . 5129 1 248 . 1 1 21 21 PRO CD C 13 50.77 0.293 . 1 . . . . . . . . 5129 1 249 . 1 1 22 22 PHE H H 1 6.88 0.007 . 1 . . . . . . . . 5129 1 250 . 1 1 22 22 PHE HA H 1 4.125 0.007 . 1 . . . . . . . . 5129 1 251 . 1 1 22 22 PHE HB2 H 1 3.114 0.007 . 1 . . . . . . . . 5129 1 252 . 1 1 22 22 PHE HB3 H 1 3.114 0.007 . 1 . . . . . . . . 5129 1 253 . 1 1 22 22 PHE HD1 H 1 6.765 0.007 . 1 . . . . . . . . 5129 1 254 . 1 1 22 22 PHE HD2 H 1 6.765 0.007 . 1 . . . . . . . . 5129 1 255 . 1 1 22 22 PHE HE1 H 1 7.133 0.007 . 1 . . . . . . . . 5129 1 256 . 1 1 22 22 PHE HE2 H 1 7.133 0.007 . 1 . . . . . . . . 5129 1 257 . 1 1 22 22 PHE HZ H 1 6.998 0.007 . 1 . . . . . . . . 5129 1 258 . 1 1 22 22 PHE CA C 13 59.85 0.293 . 1 . . . . . . . . 5129 1 259 . 1 1 22 22 PHE CB C 13 38.59 0.293 . 1 . . . . . . . . 5129 1 260 . 1 1 22 22 PHE N N 15 115.7 0.313 . 1 . . . . . . . . 5129 1 261 . 1 1 23 23 VAL H H 1 7.874 0.007 . 1 . . . . . . . . 5129 1 262 . 1 1 23 23 VAL HA H 1 3.632 0.007 . 1 . . . . . . . . 5129 1 263 . 1 1 23 23 VAL HB H 1 2.196 0.007 . 1 . . . . . . . . 5129 1 264 . 1 1 23 23 VAL HG11 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 265 . 1 1 23 23 VAL HG12 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 266 . 1 1 23 23 VAL HG13 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 267 . 1 1 23 23 VAL HG21 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 268 . 1 1 23 23 VAL HG22 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 269 . 1 1 23 23 VAL HG23 H 1 1.048 0.007 . 1 . . . . . . . . 5129 1 270 . 1 1 23 23 VAL CA C 13 67.02 0.293 . 1 . . . . . . . . 5129 1 271 . 1 1 23 23 VAL CB C 13 31.9 0.293 . 1 . . . . . . . . 5129 1 272 . 1 1 23 23 VAL CG1 C 13 17.36 0.293 . 1 . . . . . . . . 5129 1 273 . 1 1 23 23 VAL CG2 C 13 17.36 0.293 . 1 . . . . . . . . 5129 1 274 . 1 1 23 23 VAL N N 15 122.3 0.313 . 1 . . . . . . . . 5129 1 275 . 1 1 24 24 ASP H H 1 8.694 0.007 . 1 . . . . . . . . 5129 1 276 . 1 1 24 24 ASP HA H 1 4.341 0.007 . 1 . . . . . . . . 5129 1 277 . 1 1 24 24 ASP HB2 H 1 2.002 0.007 . 1 . . . . . . . . 5129 1 278 . 1 1 24 24 ASP HB3 H 1 2.571 0.007 . 1 . . . . . . . . 5129 1 279 . 1 1 24 24 ASP CA C 13 57.63 0.293 . 1 . . . . . . . . 5129 1 280 . 1 1 24 24 ASP CB C 13 40.04 0.293 . 1 . . . . . . . . 5129 1 281 . 1 1 24 24 ASP N N 15 120.4 0.313 . 1 . . . . . . . . 5129 1 282 . 1 1 25 25 TYR H H 1 7.924 0.007 . 1 . . . . . . . . 5129 1 283 . 1 1 25 25 TYR HA H 1 4.225 0.007 . 1 . . . . . . . . 5129 1 284 . 1 1 25 25 TYR HB2 H 1 3.032 0.007 . 1 . . . . . . . . 5129 1 285 . 1 1 25 25 TYR HB3 H 1 3.032 0.007 . 1 . . . . . . . . 5129 1 286 . 1 1 25 25 TYR HD1 H 1 7.435 0.007 . 1 . . . . . . . . 5129 1 287 . 1 1 25 25 TYR HD2 H 1 7.435 0.007 . 1 . . . . . . . . 5129 1 288 . 1 1 25 25 TYR HE1 H 1 7.608 0.007 . 1 . . . . . . . . 5129 1 289 . 1 1 25 25 TYR HE2 H 1 7.608 0.007 . 1 . . . . . . . . 5129 1 290 . 1 1 25 25 TYR CA C 13 60.93 0.293 . 1 . . . . . . . . 5129 1 291 . 1 1 25 25 TYR CB C 13 38.3 0.293 . 1 . . . . . . . . 5129 1 292 . 1 1 25 25 TYR N N 15 121 0.313 . 1 . . . . . . . . 5129 1 293 . 1 1 26 26 LYS H H 1 7.93 0.007 . 1 . . . . . . . . 5129 1 294 . 1 1 26 26 LYS HA H 1 3.96 0.007 . 1 . . . . . . . . 5129 1 295 . 1 1 26 26 LYS HB2 H 1 1.803 0.007 . 1 . . . . . . . . 5129 1 296 . 1 1 26 26 LYS HB3 H 1 1.803 0.007 . 1 . . . . . . . . 5129 1 297 . 1 1 26 26 LYS HG2 H 1 1.303 0.007 . 1 . . . . . . . . 5129 1 298 . 1 1 26 26 LYS HG3 H 1 1.303 0.007 . 1 . . . . . . . . 5129 1 299 . 1 1 26 26 LYS HD2 H 1 1.585 0.007 . 1 . . . . . . . . 5129 1 300 . 1 1 26 26 LYS HD3 H 1 1.585 0.007 . 1 . . . . . . . . 5129 1 301 . 1 1 26 26 LYS HE2 H 1 2.897 0.007 . 1 . . . . . . . . 5129 1 302 . 1 1 26 26 LYS HE3 H 1 2.897 0.007 . 1 . . . . . . . . 5129 1 303 . 1 1 26 26 LYS CA C 13 58.95 0.293 . 1 . . . . . . . . 5129 1 304 . 1 1 26 26 LYS CB C 13 33.01 0.293 . 1 . . . . . . . . 5129 1 305 . 1 1 26 26 LYS CG C 13 24.62 0.293 . 1 . . . . . . . . 5129 1 306 . 1 1 26 26 LYS CD C 13 28.1 0.293 . 1 . . . . . . . . 5129 1 307 . 1 1 26 26 LYS CE C 13 42.37 0.293 . 1 . . . . . . . . 5129 1 308 . 1 1 26 26 LYS N N 15 121.6 0.313 . 1 . . . . . . . . 5129 1 309 . 1 1 27 27 ALA H H 1 9.061 0.007 . 1 . . . . . . . . 5129 1 310 . 1 1 27 27 ALA HA H 1 3.939 0.007 . 1 . . . . . . . . 5129 1 311 . 1 1 27 27 ALA HB1 H 1 1.478 0.007 . 1 . . . . . . . . 5129 1 312 . 1 1 27 27 ALA HB2 H 1 1.478 0.007 . 1 . . . . . . . . 5129 1 313 . 1 1 27 27 ALA HB3 H 1 1.478 0.007 . 1 . . . . . . . . 5129 1 314 . 1 1 27 27 ALA CA C 13 55.8 0.293 . 1 . . . . . . . . 5129 1 315 . 1 1 27 27 ALA CB C 13 17.3 0.293 . 1 . . . . . . . . 5129 1 316 . 1 1 27 27 ALA N N 15 120.6 0.313 . 1 . . . . . . . . 5129 1 317 . 1 1 28 28 GLY H H 1 7.898 0.007 . 1 . . . . . . . . 5129 1 318 . 1 1 28 28 GLY HA2 H 1 3.816 0.007 . 1 . . . . . . . . 5129 1 319 . 1 1 28 28 GLY HA3 H 1 3.816 0.007 . 1 . . . . . . . . 5129 1 320 . 1 1 28 28 GLY CA C 13 46.74 0.293 . 1 . . . . . . . . 5129 1 321 . 1 1 28 28 GLY N N 15 104.8 0.313 . 1 . . . . . . . . 5129 1 322 . 1 1 29 29 LEU H H 1 7.71 0.007 . 1 . . . . . . . . 5129 1 323 . 1 1 29 29 LEU HA H 1 3.965 0.007 . 1 . . . . . . . . 5129 1 324 . 1 1 29 29 LEU HB2 H 1 1.546 0.007 . 1 . . . . . . . . 5129 1 325 . 1 1 29 29 LEU HB3 H 1 1.546 0.007 . 1 . . . . . . . . 5129 1 326 . 1 1 29 29 LEU HG H 1 1.475 0.007 . 1 . . . . . . . . 5129 1 327 . 1 1 29 29 LEU HD11 H 1 0.61 0.007 . 2 . . . . . . . . 5129 1 328 . 1 1 29 29 LEU HD12 H 1 0.61 0.007 . 2 . . . . . . . . 5129 1 329 . 1 1 29 29 LEU HD13 H 1 0.61 0.007 . 2 . . . . . . . . 5129 1 330 . 1 1 29 29 LEU HD21 H 1 0.764 0.007 . 2 . . . . . . . . 5129 1 331 . 1 1 29 29 LEU HD22 H 1 0.764 0.007 . 2 . . . . . . . . 5129 1 332 . 1 1 29 29 LEU HD23 H 1 0.764 0.007 . 2 . . . . . . . . 5129 1 333 . 1 1 29 29 LEU CA C 13 57.59 0.293 . 1 . . . . . . . . 5129 1 334 . 1 1 29 29 LEU CB C 13 42.44 0.293 . 1 . . . . . . . . 5129 1 335 . 1 1 29 29 LEU CG C 13 27.13 0.293 . 1 . . . . . . . . 5129 1 336 . 1 1 29 29 LEU CD1 C 13 23.4 0.293 . 2 . . . . . . . . 5129 1 337 . 1 1 29 29 LEU CD2 C 13 23.73 0.293 . 2 . . . . . . . . 5129 1 338 . 1 1 29 29 LEU N N 15 123.7 0.313 . 1 . . . . . . . . 5129 1 339 . 1 1 30 30 GLU H H 1 7.798 0.007 . 1 . . . . . . . . 5129 1 340 . 1 1 30 30 GLU HA H 1 4.133 0.007 . 1 . . . . . . . . 5129 1 341 . 1 1 30 30 GLU HB2 H 1 1.796 0.007 . 1 . . . . . . . . 5129 1 342 . 1 1 30 30 GLU HB3 H 1 1.796 0.007 . 1 . . . . . . . . 5129 1 343 . 1 1 30 30 GLU HG2 H 1 2.17 0.007 . 1 . . . . . . . . 5129 1 344 . 1 1 30 30 GLU HG3 H 1 2.17 0.007 . 1 . . . . . . . . 5129 1 345 . 1 1 30 30 GLU CA C 13 56.09 0.293 . 1 . . . . . . . . 5129 1 346 . 1 1 30 30 GLU CB C 13 30.05 0.293 . 1 . . . . . . . . 5129 1 347 . 1 1 30 30 GLU CG C 13 37.06 0.293 . 1 . . . . . . . . 5129 1 348 . 1 1 30 30 GLU N N 15 115.3 0.313 . 1 . . . . . . . . 5129 1 349 . 1 1 31 31 LYS H H 1 7.72 0.007 . 1 . . . . . . . . 5129 1 350 . 1 1 31 31 LYS HA H 1 4.655 0.007 . 1 . . . . . . . . 5129 1 351 . 1 1 31 31 LYS HB2 H 1 1.922 0.007 . 1 . . . . . . . . 5129 1 352 . 1 1 31 31 LYS HB3 H 1 1.922 0.007 . 1 . . . . . . . . 5129 1 353 . 1 1 31 31 LYS HG2 H 1 1.614 0.007 . 1 . . . . . . . . 5129 1 354 . 1 1 31 31 LYS HG3 H 1 1.614 0.007 . 1 . . . . . . . . 5129 1 355 . 1 1 31 31 LYS HD2 H 1 1.9 0.007 . 1 . . . . . . . . 5129 1 356 . 1 1 31 31 LYS HD3 H 1 1.9 0.007 . 1 . . . . . . . . 5129 1 357 . 1 1 31 31 LYS HE2 H 1 2.947 0.007 . 1 . . . . . . . . 5129 1 358 . 1 1 31 31 LYS HE3 H 1 2.947 0.007 . 1 . . . . . . . . 5129 1 359 . 1 1 31 31 LYS CA C 13 56.71 0.293 . 1 . . . . . . . . 5129 1 360 . 1 1 31 31 LYS CB C 13 28.98 0.293 . 1 . . . . . . . . 5129 1 361 . 1 1 31 31 LYS CG C 13 23.55 0.293 . 1 . . . . . . . . 5129 1 362 . 1 1 31 31 LYS CD C 13 25.41 0.293 . 1 . . . . . . . . 5129 1 363 . 1 1 31 31 LYS CE C 13 39.58 0.293 . 1 . . . . . . . . 5129 1 364 . 1 1 31 31 LYS N N 15 118.6 0.313 . 1 . . . . . . . . 5129 1 365 . 1 1 32 32 LYS H H 1 8.246 0.007 . 1 . . . . . . . . 5129 1 366 . 1 1 32 32 LYS HA H 1 4.241 0.007 . 1 . . . . . . . . 5129 1 367 . 1 1 32 32 LYS HB2 H 1 1.616 0.007 . 1 . . . . . . . . 5129 1 368 . 1 1 32 32 LYS HB3 H 1 1.616 0.007 . 1 . . . . . . . . 5129 1 369 . 1 1 32 32 LYS HG2 H 1 1.374 0.007 . 1 . . . . . . . . 5129 1 370 . 1 1 32 32 LYS HG3 H 1 1.374 0.007 . 1 . . . . . . . . 5129 1 371 . 1 1 32 32 LYS HD2 H 1 1.577 0.007 . 1 . . . . . . . . 5129 1 372 . 1 1 32 32 LYS HD3 H 1 1.577 0.007 . 1 . . . . . . . . 5129 1 373 . 1 1 32 32 LYS HE2 H 1 3.061 0.007 . 1 . . . . . . . . 5129 1 374 . 1 1 32 32 LYS HE3 H 1 3.061 0.007 . 1 . . . . . . . . 5129 1 375 . 1 1 32 32 LYS CA C 13 54.06 0.293 . 1 . . . . . . . . 5129 1 376 . 1 1 32 32 LYS CB C 13 34.82 0.293 . 1 . . . . . . . . 5129 1 377 . 1 1 32 32 LYS CG C 13 23.95 0.293 . 1 . . . . . . . . 5129 1 378 . 1 1 32 32 LYS CD C 13 27.48 0.293 . 1 . . . . . . . . 5129 1 379 . 1 1 32 32 LYS CE C 13 40.8 0.293 . 1 . . . . . . . . 5129 1 380 . 1 1 32 32 LYS N N 15 120 0.313 . 1 . . . . . . . . 5129 1 381 . 1 1 33 33 LYS H H 1 8.497 0.007 . 1 . . . . . . . . 5129 1 382 . 1 1 33 33 LYS HA H 1 4.245 0.007 . 1 . . . . . . . . 5129 1 383 . 1 1 33 33 LYS HB2 H 1 1.588 0.007 . 1 . . . . . . . . 5129 1 384 . 1 1 33 33 LYS HB3 H 1 1.588 0.007 . 1 . . . . . . . . 5129 1 385 . 1 1 33 33 LYS HG2 H 1 1.217 0.007 . 1 . . . . . . . . 5129 1 386 . 1 1 33 33 LYS HG3 H 1 1.217 0.007 . 1 . . . . . . . . 5129 1 387 . 1 1 33 33 LYS HD2 H 1 1.538 0.007 . 1 . . . . . . . . 5129 1 388 . 1 1 33 33 LYS HD3 H 1 1.538 0.007 . 1 . . . . . . . . 5129 1 389 . 1 1 33 33 LYS HE2 H 1 2.84 0.007 . 1 . . . . . . . . 5129 1 390 . 1 1 33 33 LYS HE3 H 1 2.84 0.007 . 1 . . . . . . . . 5129 1 391 . 1 1 33 33 LYS CA C 13 54.71 0.293 . 1 . . . . . . . . 5129 1 392 . 1 1 33 33 LYS CB C 13 31.71 0.293 . 1 . . . . . . . . 5129 1 393 . 1 1 33 33 LYS CG C 13 24.67 0.293 . 1 . . . . . . . . 5129 1 394 . 1 1 33 33 LYS CD C 13 27.1 0.293 . 1 . . . . . . . . 5129 1 395 . 1 1 33 33 LYS CE C 13 42.22 0.293 . 1 . . . . . . . . 5129 1 396 . 1 1 33 33 LYS N N 15 127.8 0.313 . 1 . . . . . . . . 5129 1 397 . 1 1 34 34 LEU H H 1 7.89 0.007 . 1 . . . . . . . . 5129 1 398 . 1 1 34 34 LEU HA H 1 3.76 0.007 . 1 . . . . . . . . 5129 1 399 . 1 1 34 34 LEU HB2 H 1 1.612 0.007 . 1 . . . . . . . . 5129 1 400 . 1 1 34 34 LEU HB3 H 1 1.612 0.007 . 1 . . . . . . . . 5129 1 401 . 1 1 34 34 LEU HG H 1 1.571 0.007 . 1 . . . . . . . . 5129 1 402 . 1 1 34 34 LEU HD11 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 403 . 1 1 34 34 LEU HD12 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 404 . 1 1 34 34 LEU HD13 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 405 . 1 1 34 34 LEU HD21 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 406 . 1 1 34 34 LEU HD22 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 407 . 1 1 34 34 LEU HD23 H 1 0.819 0.007 . 1 . . . . . . . . 5129 1 408 . 1 1 34 34 LEU CA C 13 54.74 0.293 . 1 . . . . . . . . 5129 1 409 . 1 1 34 34 LEU CB C 13 43.67 0.293 . 1 . . . . . . . . 5129 1 410 . 1 1 34 34 LEU CG C 13 23.55 0.293 . 1 . . . . . . . . 5129 1 411 . 1 1 34 34 LEU CD1 C 13 21.5 0.293 . 2 . . . . . . . . 5129 1 412 . 1 1 34 34 LEU CD2 C 13 22.61 0.293 . 2 . . . . . . . . 5129 1 413 . 1 1 34 34 LEU N N 15 119.8 0.313 . 1 . . . . . . . . 5129 1 414 . 1 1 35 35 SER H H 1 9.29 0.007 . 1 . . . . . . . . 5129 1 415 . 1 1 35 35 SER HA H 1 3.982 0.007 . 1 . . . . . . . . 5129 1 416 . 1 1 35 35 SER HB2 H 1 4.016 0.007 . 1 . . . . . . . . 5129 1 417 . 1 1 35 35 SER HB3 H 1 4.016 0.007 . 1 . . . . . . . . 5129 1 418 . 1 1 35 35 SER CA C 13 56.52 0.293 . 1 . . . . . . . . 5129 1 419 . 1 1 35 35 SER CB C 13 65.44 0.293 . 1 . . . . . . . . 5129 1 420 . 1 1 35 35 SER N N 15 120.4 0.313 . 1 . . . . . . . . 5129 1 421 . 1 1 36 36 ASP H H 1 7.983 0.007 . 1 . . . . . . . . 5129 1 422 . 1 1 36 36 ASP HA H 1 4.397 0.007 . 1 . . . . . . . . 5129 1 423 . 1 1 36 36 ASP HB2 H 1 2.864 0.007 . 1 . . . . . . . . 5129 1 424 . 1 1 36 36 ASP HB3 H 1 2.864 0.007 . 1 . . . . . . . . 5129 1 425 . 1 1 36 36 ASP CA C 13 54.99 0.293 . 1 . . . . . . . . 5129 1 426 . 1 1 36 36 ASP CB C 13 41.81 0.293 . 1 . . . . . . . . 5129 1 427 . 1 1 36 36 ASP N N 15 123.5 0.313 . 1 . . . . . . . . 5129 1 428 . 1 1 37 37 ASP H H 1 7.858 0.007 . 1 . . . . . . . . 5129 1 429 . 1 1 37 37 ASP HA H 1 4.673 0.007 . 1 . . . . . . . . 5129 1 430 . 1 1 37 37 ASP HB2 H 1 2.512 0.007 . 1 . . . . . . . . 5129 1 431 . 1 1 37 37 ASP HB3 H 1 2.512 0.007 . 1 . . . . . . . . 5129 1 432 . 1 1 37 37 ASP CA C 13 53.61 0.293 . 1 . . . . . . . . 5129 1 433 . 1 1 37 37 ASP CB C 13 41.49 0.293 . 1 . . . . . . . . 5129 1 434 . 1 1 37 37 ASP N N 15 113.7 0.313 . 1 . . . . . . . . 5129 1 435 . 1 1 38 38 ASP H H 1 7.388 0.007 . 1 . . . . . . . . 5129 1 436 . 1 1 38 38 ASP HA H 1 4.441 0.007 . 1 . . . . . . . . 5129 1 437 . 1 1 38 38 ASP HB2 H 1 2.801 0.007 . 1 . . . . . . . . 5129 1 438 . 1 1 38 38 ASP HB3 H 1 3.21 0.007 . 1 . . . . . . . . 5129 1 439 . 1 1 38 38 ASP CA C 13 55.99 0.293 . 1 . . . . . . . . 5129 1 440 . 1 1 38 38 ASP CB C 13 42.32 0.293 . 1 . . . . . . . . 5129 1 441 . 1 1 38 38 ASP N N 15 122.2 0.313 . 1 . . . . . . . . 5129 1 442 . 1 1 39 39 GLU H H 1 8.908 0.007 . 1 . . . . . . . . 5129 1 443 . 1 1 39 39 GLU HA H 1 4.811 0.007 . 1 . . . . . . . . 5129 1 444 . 1 1 39 39 GLU HB2 H 1 2.543 0.007 . 1 . . . . . . . . 5129 1 445 . 1 1 39 39 GLU HB3 H 1 2.543 0.007 . 1 . . . . . . . . 5129 1 446 . 1 1 39 39 GLU HG2 H 1 2.14 0.007 . 1 . . . . . . . . 5129 1 447 . 1 1 39 39 GLU HG3 H 1 2.14 0.007 . 1 . . . . . . . . 5129 1 448 . 1 1 39 39 GLU CA C 13 56.35 0.293 . 1 . . . . . . . . 5129 1 449 . 1 1 39 39 GLU CB C 13 32.02 0.293 . 1 . . . . . . . . 5129 1 450 . 1 1 39 39 GLU CG C 13 37.02 0.293 . 1 . . . . . . . . 5129 1 451 . 1 1 39 39 GLU N N 15 120.2 0.313 . 1 . . . . . . . . 5129 1 452 . 1 1 40 40 ILE H H 1 9.599 0.007 . 1 . . . . . . . . 5129 1 453 . 1 1 40 40 ILE HA H 1 4.838 0.007 . 1 . . . . . . . . 5129 1 454 . 1 1 40 40 ILE HB H 1 1.717 0.007 . 1 . . . . . . . . 5129 1 455 . 1 1 40 40 ILE HG12 H 1 0.872 0.007 . 1 . . . . . . . . 5129 1 456 . 1 1 40 40 ILE HG13 H 1 0.872 0.007 . 1 . . . . . . . . 5129 1 457 . 1 1 40 40 ILE HG21 H 1 1.05 0.007 . 1 . . . . . . . . 5129 1 458 . 1 1 40 40 ILE HG22 H 1 1.05 0.007 . 1 . . . . . . . . 5129 1 459 . 1 1 40 40 ILE HG23 H 1 1.05 0.007 . 1 . . . . . . . . 5129 1 460 . 1 1 40 40 ILE HD11 H 1 0.747 0.007 . 1 . . . . . . . . 5129 1 461 . 1 1 40 40 ILE HD12 H 1 0.747 0.007 . 1 . . . . . . . . 5129 1 462 . 1 1 40 40 ILE HD13 H 1 0.747 0.007 . 1 . . . . . . . . 5129 1 463 . 1 1 40 40 ILE CA C 13 59.96 0.293 . 1 . . . . . . . . 5129 1 464 . 1 1 40 40 ILE CB C 13 42.03 0.293 . 1 . . . . . . . . 5129 1 465 . 1 1 40 40 ILE CG1 C 13 21.65 0.293 . 1 . . . . . . . . 5129 1 466 . 1 1 40 40 ILE CG2 C 13 15.66 0.293 . 1 . . . . . . . . 5129 1 467 . 1 1 40 40 ILE CD1 C 13 19.19 0.293 . 1 . . . . . . . . 5129 1 468 . 1 1 40 40 ILE N N 15 125.9 0.313 . 1 . . . . . . . . 5129 1 469 . 1 1 41 41 ALA H H 1 9.298 0.007 . 1 . . . . . . . . 5129 1 470 . 1 1 41 41 ALA HA H 1 5.201 0.007 . 1 . . . . . . . . 5129 1 471 . 1 1 41 41 ALA HB1 H 1 1.069 0.007 . 1 . . . . . . . . 5129 1 472 . 1 1 41 41 ALA HB2 H 1 1.069 0.007 . 1 . . . . . . . . 5129 1 473 . 1 1 41 41 ALA HB3 H 1 1.069 0.007 . 1 . . . . . . . . 5129 1 474 . 1 1 41 41 ALA CA C 13 49.54 0.293 . 1 . . . . . . . . 5129 1 475 . 1 1 41 41 ALA CB C 13 21.63 0.293 . 1 . . . . . . . . 5129 1 476 . 1 1 41 41 ALA N N 15 127.6 0.313 . 1 . . . . . . . . 5129 1 477 . 1 1 42 42 ILE H H 1 8.156 0.007 . 1 . . . . . . . . 5129 1 478 . 1 1 42 42 ILE HA H 1 4.46 0.007 . 1 . . . . . . . . 5129 1 479 . 1 1 42 42 ILE HB H 1 1.545 0.007 . 1 . . . . . . . . 5129 1 480 . 1 1 42 42 ILE HG12 H 1 1.231 0.007 . 1 . . . . . . . . 5129 1 481 . 1 1 42 42 ILE HG13 H 1 0.742 0.007 . 1 . . . . . . . . 5129 1 482 . 1 1 42 42 ILE HG21 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 483 . 1 1 42 42 ILE HG22 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 484 . 1 1 42 42 ILE HG23 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 485 . 1 1 42 42 ILE HD11 H 1 -0.047 0.007 . 1 . . . . . . . . 5129 1 486 . 1 1 42 42 ILE HD12 H 1 -0.047 0.007 . 1 . . . . . . . . 5129 1 487 . 1 1 42 42 ILE HD13 H 1 -0.047 0.007 . 1 . . . . . . . . 5129 1 488 . 1 1 42 42 ILE CA C 13 58.07 0.293 . 1 . . . . . . . . 5129 1 489 . 1 1 42 42 ILE CB C 13 37.12 0.293 . 1 . . . . . . . . 5129 1 490 . 1 1 42 42 ILE CG1 C 13 31.02 0.293 . 1 . . . . . . . . 5129 1 491 . 1 1 42 42 ILE CG2 C 13 11.34 0.293 . 1 . . . . . . . . 5129 1 492 . 1 1 42 42 ILE CD1 C 13 16.08 0.293 . 1 . . . . . . . . 5129 1 493 . 1 1 42 42 ILE N N 15 120.8 0.313 . 1 . . . . . . . . 5129 1 494 . 1 1 43 43 ILE H H 1 9 0.007 . 1 . . . . . . . . 5129 1 495 . 1 1 43 43 ILE HA H 1 4.75 0.007 . 1 . . . . . . . . 5129 1 496 . 1 1 43 43 ILE HB H 1 1.899 0.007 . 1 . . . . . . . . 5129 1 497 . 1 1 43 43 ILE HG12 H 1 1.112 0.007 . 1 . . . . . . . . 5129 1 498 . 1 1 43 43 ILE HG13 H 1 1.112 0.007 . 1 . . . . . . . . 5129 1 499 . 1 1 43 43 ILE HG21 H 1 0.608 0.007 . 1 . . . . . . . . 5129 1 500 . 1 1 43 43 ILE HG22 H 1 0.608 0.007 . 1 . . . . . . . . 5129 1 501 . 1 1 43 43 ILE HG23 H 1 0.608 0.007 . 1 . . . . . . . . 5129 1 502 . 1 1 43 43 ILE HD11 H 1 0.432 0.007 . 1 . . . . . . . . 5129 1 503 . 1 1 43 43 ILE HD12 H 1 0.432 0.007 . 1 . . . . . . . . 5129 1 504 . 1 1 43 43 ILE HD13 H 1 0.432 0.007 . 1 . . . . . . . . 5129 1 505 . 1 1 43 43 ILE CA C 13 57.55 0.293 . 1 . . . . . . . . 5129 1 506 . 1 1 43 43 ILE CB C 13 39.22 0.293 . 1 . . . . . . . . 5129 1 507 . 1 1 43 43 ILE CG1 C 13 24.45 0.293 . 1 . . . . . . . . 5129 1 508 . 1 1 43 43 ILE CG2 C 13 18.65 0.293 . 1 . . . . . . . . 5129 1 509 . 1 1 43 43 ILE CD1 C 13 11.27 0.293 . 1 . . . . . . . . 5129 1 510 . 1 1 43 43 ILE N N 15 129.6 0.313 . 1 . . . . . . . . 5129 1 511 . 1 1 44 44 SER H H 1 9.128 0.007 . 1 . . . . . . . . 5129 1 512 . 1 1 44 44 SER HA H 1 4.911 0.007 . 1 . . . . . . . . 5129 1 513 . 1 1 44 44 SER HB2 H 1 3.609 0.007 . 1 . . . . . . . . 5129 1 514 . 1 1 44 44 SER HB3 H 1 3.609 0.007 . 1 . . . . . . . . 5129 1 515 . 1 1 44 44 SER CA C 13 56.88 0.293 . 1 . . . . . . . . 5129 1 516 . 1 1 44 44 SER CB C 13 64.52 0.293 . 1 . . . . . . . . 5129 1 517 . 1 1 44 44 SER N N 15 122.6 0.313 . 1 . . . . . . . . 5129 1 518 . 1 1 45 45 ILE H H 1 8.144 0.007 . 1 . . . . . . . . 5129 1 519 . 1 1 45 45 ILE HA H 1 4.302 0.007 . 1 . . . . . . . . 5129 1 520 . 1 1 45 45 ILE HB H 1 1.749 0.007 . 1 . . . . . . . . 5129 1 521 . 1 1 45 45 ILE HG12 H 1 0.742 0.007 . 1 . . . . . . . . 5129 1 522 . 1 1 45 45 ILE HG13 H 1 0.742 0.007 . 1 . . . . . . . . 5129 1 523 . 1 1 45 45 ILE HG21 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 524 . 1 1 45 45 ILE HG22 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 525 . 1 1 45 45 ILE HG23 H 1 0.294 0.007 . 1 . . . . . . . . 5129 1 526 . 1 1 45 45 ILE HD11 H 1 -0.05 0.007 . 1 . . . . . . . . 5129 1 527 . 1 1 45 45 ILE HD12 H 1 -0.05 0.007 . 1 . . . . . . . . 5129 1 528 . 1 1 45 45 ILE HD13 H 1 -0.05 0.007 . 1 . . . . . . . . 5129 1 529 . 1 1 45 45 ILE CA C 13 60.29 0.293 . 1 . . . . . . . . 5129 1 530 . 1 1 45 45 ILE CB C 13 37.11 0.293 . 1 . . . . . . . . 5129 1 531 . 1 1 45 45 ILE CG1 C 13 26.37 0.293 . 1 . . . . . . . . 5129 1 532 . 1 1 45 45 ILE CG2 C 13 11.23 0.293 . 1 . . . . . . . . 5129 1 533 . 1 1 45 45 ILE N N 15 125.9 0.313 . 1 . . . . . . . . 5129 1 534 . 1 1 46 46 LYS H H 1 8.275 0.007 . 1 . . . . . . . . 5129 1 535 . 1 1 46 46 LYS HA H 1 4.309 0.007 . 1 . . . . . . . . 5129 1 536 . 1 1 46 46 LYS HB2 H 1 1.514 0.007 . 1 . . . . . . . . 5129 1 537 . 1 1 46 46 LYS HB3 H 1 1.514 0.007 . 1 . . . . . . . . 5129 1 538 . 1 1 46 46 LYS HG2 H 1 1.168 0.007 . 1 . . . . . . . . 5129 1 539 . 1 1 46 46 LYS HG3 H 1 1.168 0.007 . 1 . . . . . . . . 5129 1 540 . 1 1 46 46 LYS HD2 H 1 1.373 0.007 . 1 . . . . . . . . 5129 1 541 . 1 1 46 46 LYS HD3 H 1 1.373 0.007 . 1 . . . . . . . . 5129 1 542 . 1 1 46 46 LYS HE2 H 1 2.563 0.007 . 1 . . . . . . . . 5129 1 543 . 1 1 46 46 LYS HE3 H 1 2.563 0.007 . 1 . . . . . . . . 5129 1 544 . 1 1 46 46 LYS CA C 13 54.68 0.293 . 1 . . . . . . . . 5129 1 545 . 1 1 46 46 LYS CB C 13 33.47 0.293 . 1 . . . . . . . . 5129 1 546 . 1 1 46 46 LYS CG C 13 25.3 0.293 . 1 . . . . . . . . 5129 1 547 . 1 1 46 46 LYS CD C 13 24.99 0.293 . 1 . . . . . . . . 5129 1 548 . 1 1 46 46 LYS CE C 13 42.49 0.293 . 1 . . . . . . . . 5129 1 549 . 1 1 46 46 LYS N N 15 127.3 0.313 . 1 . . . . . . . . 5129 1 550 . 1 1 47 47 GLY H H 1 7.766 0.007 . 1 . . . . . . . . 5129 1 551 . 1 1 47 47 GLY HA2 H 1 3.549 0.007 . 1 . . . . . . . . 5129 1 552 . 1 1 47 47 GLY HA3 H 1 3.549 0.007 . 1 . . . . . . . . 5129 1 553 . 1 1 47 47 GLY CA C 13 44.68 0.293 . 1 . . . . . . . . 5129 1 554 . 1 1 47 47 GLY N N 15 100.5 0.313 . 1 . . . . . . . . 5129 1 555 . 1 1 48 48 THR H H 1 7.708 0.007 . 1 . . . . . . . . 5129 1 556 . 1 1 48 48 THR HA H 1 4.66 0.007 . 1 . . . . . . . . 5129 1 557 . 1 1 48 48 THR HB H 1 3.785 0.007 . 1 . . . . . . . . 5129 1 558 . 1 1 48 48 THR HG21 H 1 1.291 0.007 . 1 . . . . . . . . 5129 1 559 . 1 1 48 48 THR HG22 H 1 1.291 0.007 . 1 . . . . . . . . 5129 1 560 . 1 1 48 48 THR HG23 H 1 1.291 0.007 . 1 . . . . . . . . 5129 1 561 . 1 1 48 48 THR CA C 13 66.42 0.293 . 1 . . . . . . . . 5129 1 562 . 1 1 48 48 THR CB C 13 67.82 0.293 . 1 . . . . . . . . 5129 1 563 . 1 1 48 48 THR CG2 C 13 21.5 0.293 . 1 . . . . . . . . 5129 1 564 . 1 1 48 48 THR N N 15 118.8 0.313 . 1 . . . . . . . . 5129 1 565 . 1 1 49 49 GLN H H 1 7.901 0.007 . 1 . . . . . . . . 5129 1 566 . 1 1 49 49 GLN HA H 1 4.326 0.007 . 1 . . . . . . . . 5129 1 567 . 1 1 49 49 GLN HB2 H 1 1.728 0.007 . 1 . . . . . . . . 5129 1 568 . 1 1 49 49 GLN HB3 H 1 1.728 0.007 . 1 . . . . . . . . 5129 1 569 . 1 1 49 49 GLN HG2 H 1 2 0.007 . 1 . . . . . . . . 5129 1 570 . 1 1 49 49 GLN HG3 H 1 2.38 0.007 . 1 . . . . . . . . 5129 1 571 . 1 1 49 49 GLN HE21 H 1 7.478 0.007 . 1 . . . . . . . . 5129 1 572 . 1 1 49 49 GLN HE22 H 1 6.748 0.007 . 1 . . . . . . . . 5129 1 573 . 1 1 49 49 GLN CA C 13 57.62 0.293 . 1 . . . . . . . . 5129 1 574 . 1 1 49 49 GLN CB C 13 33.7 0.293 . 1 . . . . . . . . 5129 1 575 . 1 1 49 49 GLN CG C 13 31.25 0.293 . 1 . . . . . . . . 5129 1 576 . 1 1 49 49 GLN N N 15 127.2 0.313 . 1 . . . . . . . . 5129 1 577 . 1 1 49 49 GLN NE2 N 15 112.8 0.313 . 1 . . . . . . . . 5129 1 578 . 1 1 50 50 SER H H 1 8.514 0.007 . 1 . . . . . . . . 5129 1 579 . 1 1 50 50 SER HA H 1 4.672 0.007 . 1 . . . . . . . . 5129 1 580 . 1 1 50 50 SER HB2 H 1 3.96 0.007 . 1 . . . . . . . . 5129 1 581 . 1 1 50 50 SER HB3 H 1 4.315 0.007 . 1 . . . . . . . . 5129 1 582 . 1 1 50 50 SER CA C 13 58.62 0.293 . 1 . . . . . . . . 5129 1 583 . 1 1 50 50 SER CB C 13 63.37 0.293 . 1 . . . . . . . . 5129 1 584 . 1 1 50 50 SER N N 15 129 0.313 . 1 . . . . . . . . 5129 1 585 . 1 1 51 51 ASN H H 1 7.993 0.007 . 1 . . . . . . . . 5129 1 586 . 1 1 51 51 ASN HA H 1 4.674 0.007 . 1 . . . . . . . . 5129 1 587 . 1 1 51 51 ASN HB2 H 1 2.61 0.007 . 1 . . . . . . . . 5129 1 588 . 1 1 51 51 ASN HB3 H 1 2.61 0.007 . 1 . . . . . . . . 5129 1 589 . 1 1 51 51 ASN HD21 H 1 6.736 0.007 . 1 . . . . . . . . 5129 1 590 . 1 1 51 51 ASN HD22 H 1 6.059 0.007 . 1 . . . . . . . . 5129 1 591 . 1 1 51 51 ASN CA C 13 52.49 0.293 . 1 . . . . . . . . 5129 1 592 . 1 1 51 51 ASN CB C 13 41.48 0.293 . 1 . . . . . . . . 5129 1 593 . 1 1 51 51 ASN N N 15 120.7 0.313 . 1 . . . . . . . . 5129 1 594 . 1 1 51 51 ASN ND2 N 15 112.6 0.313 . 1 . . . . . . . . 5129 1 595 . 1 1 52 52 HIS H H 1 9.341 0.007 . 1 . . . . . . . . 5129 1 596 . 1 1 52 52 HIS HA H 1 4.55 0.007 . 1 . . . . . . . . 5129 1 597 . 1 1 52 52 HIS HB2 H 1 2.66 0.007 . 1 . . . . . . . . 5129 1 598 . 1 1 52 52 HIS HB3 H 1 2.66 0.007 . 1 . . . . . . . . 5129 1 599 . 1 1 52 52 HIS HD2 H 1 6.904 0.007 . 2 . . . . . . . . 5129 1 600 . 1 1 52 52 HIS HE1 H 1 8.111 0.007 . 2 . . . . . . . . 5129 1 601 . 1 1 52 52 HIS CA C 13 55.75 0.293 . 1 . . . . . . . . 5129 1 602 . 1 1 52 52 HIS CB C 13 33.99 0.293 . 1 . . . . . . . . 5129 1 603 . 1 1 52 52 HIS N N 15 123.7 0.313 . 1 . . . . . . . . 5129 1 604 . 1 1 52 52 HIS ND1 N 15 115.9 0.313 . 2 . . . . . . . . 5129 1 605 . 1 1 52 52 HIS NE2 N 15 115.9 0.313 . 2 . . . . . . . . 5129 1 606 . 1 1 53 53 VAL H H 1 8.225 0.007 . 1 . . . . . . . . 5129 1 607 . 1 1 53 53 VAL HA H 1 4.309 0.007 . 1 . . . . . . . . 5129 1 608 . 1 1 53 53 VAL HB H 1 1.583 0.007 . 1 . . . . . . . . 5129 1 609 . 1 1 53 53 VAL HG11 H 1 0.391 0.007 . 2 . . . . . . . . 5129 1 610 . 1 1 53 53 VAL HG12 H 1 0.391 0.007 . 2 . . . . . . . . 5129 1 611 . 1 1 53 53 VAL HG13 H 1 0.391 0.007 . 2 . . . . . . . . 5129 1 612 . 1 1 53 53 VAL HG21 H 1 0.657 0.007 . 2 . . . . . . . . 5129 1 613 . 1 1 53 53 VAL HG22 H 1 0.657 0.007 . 2 . . . . . . . . 5129 1 614 . 1 1 53 53 VAL HG23 H 1 0.657 0.007 . 2 . . . . . . . . 5129 1 615 . 1 1 53 53 VAL CA C 13 61.09 0.293 . 1 . . . . . . . . 5129 1 616 . 1 1 53 53 VAL CB C 13 33.51 0.293 . 1 . . . . . . . . 5129 1 617 . 1 1 53 53 VAL CG1 C 13 21.53 0.293 . 2 . . . . . . . . 5129 1 618 . 1 1 53 53 VAL CG2 C 13 22.78 0.293 . 2 . . . . . . . . 5129 1 619 . 1 1 53 53 VAL N N 15 126.6 0.313 . 1 . . . . . . . . 5129 1 620 . 1 1 54 54 LEU H H 1 8.744 0.007 . 1 . . . . . . . . 5129 1 621 . 1 1 54 54 LEU HA H 1 4.778 0.007 . 1 . . . . . . . . 5129 1 622 . 1 1 54 54 LEU HB2 H 1 1.714 0.007 . 1 . . . . . . . . 5129 1 623 . 1 1 54 54 LEU HB3 H 1 1.714 0.007 . 1 . . . . . . . . 5129 1 624 . 1 1 54 54 LEU HG H 1 1.694 0.007 . 1 . . . . . . . . 5129 1 625 . 1 1 54 54 LEU HD11 H 1 0.865 0.007 . 2 . . . . . . . . 5129 1 626 . 1 1 54 54 LEU HD12 H 1 0.865 0.007 . 2 . . . . . . . . 5129 1 627 . 1 1 54 54 LEU HD13 H 1 0.865 0.007 . 2 . . . . . . . . 5129 1 628 . 1 1 54 54 LEU HD21 H 1 0.756 0.007 . 2 . . . . . . . . 5129 1 629 . 1 1 54 54 LEU HD22 H 1 0.756 0.007 . 2 . . . . . . . . 5129 1 630 . 1 1 54 54 LEU HD23 H 1 0.756 0.007 . 2 . . . . . . . . 5129 1 631 . 1 1 54 54 LEU CA C 13 52.44 0.293 . 1 . . . . . . . . 5129 1 632 . 1 1 54 54 LEU CB C 13 44.72 0.293 . 1 . . . . . . . . 5129 1 633 . 1 1 54 54 LEU CG C 13 22.47 0.293 . 1 . . . . . . . . 5129 1 634 . 1 1 54 54 LEU CD1 C 13 19.02 0.293 . 2 . . . . . . . . 5129 1 635 . 1 1 54 54 LEU CD2 C 13 24.34 0.293 . 2 . . . . . . . . 5129 1 636 . 1 1 54 54 LEU N N 15 124.1 0.313 . 1 . . . . . . . . 5129 1 637 . 1 1 55 55 PHE H H 1 9.444 0.007 . 1 . . . . . . . . 5129 1 638 . 1 1 55 55 PHE HA H 1 5.131 0.007 . 1 . . . . . . . . 5129 1 639 . 1 1 55 55 PHE HB2 H 1 3.216 0.007 . 1 . . . . . . . . 5129 1 640 . 1 1 55 55 PHE HB3 H 1 3.216 0.007 . 1 . . . . . . . . 5129 1 641 . 1 1 55 55 PHE HD1 H 1 7.144 0.007 . 1 . . . . . . . . 5129 1 642 . 1 1 55 55 PHE HD2 H 1 7.144 0.007 . 1 . . . . . . . . 5129 1 643 . 1 1 55 55 PHE HE1 H 1 7.153 0.007 . 1 . . . . . . . . 5129 1 644 . 1 1 55 55 PHE HE2 H 1 7.153 0.007 . 1 . . . . . . . . 5129 1 645 . 1 1 55 55 PHE HZ H 1 7.149 0.007 . 1 . . . . . . . . 5129 1 646 . 1 1 55 55 PHE CA C 13 54.98 0.293 . 1 . . . . . . . . 5129 1 647 . 1 1 55 55 PHE CB C 13 36.05 0.293 . 1 . . . . . . . . 5129 1 648 . 1 1 55 55 PHE N N 15 125 0.313 . 1 . . . . . . . . 5129 1 649 . 1 1 56 56 LEU H H 1 7.806 0.007 . 1 . . . . . . . . 5129 1 650 . 1 1 56 56 LEU HA H 1 4.114 0.007 . 1 . . . . . . . . 5129 1 651 . 1 1 56 56 LEU HB2 H 1 1.68 0.007 . 1 . . . . . . . . 5129 1 652 . 1 1 56 56 LEU HB3 H 1 1.68 0.007 . 1 . . . . . . . . 5129 1 653 . 1 1 56 56 LEU HG H 1 1.572 0.007 . 1 . . . . . . . . 5129 1 654 . 1 1 56 56 LEU HD11 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 655 . 1 1 56 56 LEU HD12 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 656 . 1 1 56 56 LEU HD13 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 657 . 1 1 56 56 LEU HD21 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 658 . 1 1 56 56 LEU HD22 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 659 . 1 1 56 56 LEU HD23 H 1 0.668 0.007 . 1 . . . . . . . . 5129 1 660 . 1 1 56 56 LEU CA C 13 59.01 0.293 . 1 . . . . . . . . 5129 1 661 . 1 1 56 56 LEU CB C 13 40.3 0.293 . 1 . . . . . . . . 5129 1 662 . 1 1 56 56 LEU CG C 13 28.01 0.293 . 1 . . . . . . . . 5129 1 663 . 1 1 56 56 LEU CD1 C 13 26.76 0.293 . 1 . . . . . . . . 5129 1 664 . 1 1 56 56 LEU CD2 C 13 26.76 0.293 . 1 . . . . . . . . 5129 1 665 . 1 1 56 56 LEU N N 15 124.6 0.313 . 1 . . . . . . . . 5129 1 666 . 1 1 57 57 SER H H 1 9.201 0.007 . 1 . . . . . . . . 5129 1 667 . 1 1 57 57 SER HA H 1 4.516 0.007 . 1 . . . . . . . . 5129 1 668 . 1 1 57 57 SER HB2 H 1 4.046 0.007 . 1 . . . . . . . . 5129 1 669 . 1 1 57 57 SER HB3 H 1 4.046 0.007 . 1 . . . . . . . . 5129 1 670 . 1 1 57 57 SER CA C 13 59.71 0.293 . 1 . . . . . . . . 5129 1 671 . 1 1 57 57 SER CB C 13 62.97 0.293 . 1 . . . . . . . . 5129 1 672 . 1 1 57 57 SER N N 15 112.2 0.313 . 1 . . . . . . . . 5129 1 673 . 1 1 58 58 SER H H 1 8.308 0.007 . 1 . . . . . . . . 5129 1 674 . 1 1 58 58 SER HA H 1 4.27 0.007 . 1 . . . . . . . . 5129 1 675 . 1 1 58 58 SER HB2 H 1 3.597 0.007 . 1 . . . . . . . . 5129 1 676 . 1 1 58 58 SER HB3 H 1 3.597 0.007 . 1 . . . . . . . . 5129 1 677 . 1 1 58 58 SER CA C 13 59.36 0.293 . 1 . . . . . . . . 5129 1 678 . 1 1 58 58 SER CB C 13 62.98 0.293 . 1 . . . . . . . . 5129 1 679 . 1 1 58 58 SER N N 15 117.3 0.313 . 1 . . . . . . . . 5129 1 680 . 1 1 59 59 TYR H H 1 7.337 0.007 . 1 . . . . . . . . 5129 1 681 . 1 1 59 59 TYR HA H 1 4.677 0.007 . 1 . . . . . . . . 5129 1 682 . 1 1 59 59 TYR HB2 H 1 3.049 0.007 . 1 . . . . . . . . 5129 1 683 . 1 1 59 59 TYR HB3 H 1 2.647 0.007 . 1 . . . . . . . . 5129 1 684 . 1 1 59 59 TYR HD1 H 1 7.04 0.007 . 1 . . . . . . . . 5129 1 685 . 1 1 59 59 TYR HD2 H 1 7.04 0.007 . 1 . . . . . . . . 5129 1 686 . 1 1 59 59 TYR HE1 H 1 6.609 0.007 . 1 . . . . . . . . 5129 1 687 . 1 1 59 59 TYR HE2 H 1 6.609 0.007 . 1 . . . . . . . . 5129 1 688 . 1 1 59 59 TYR CA C 13 57.33 0.293 . 1 . . . . . . . . 5129 1 689 . 1 1 59 59 TYR CB C 13 40.81 0.293 . 1 . . . . . . . . 5129 1 690 . 1 1 59 59 TYR N N 15 118.7 0.313 . 1 . . . . . . . . 5129 1 691 . 1 1 60 60 ASN H H 1 9.679 0.007 . 1 . . . . . . . . 5129 1 692 . 1 1 60 60 ASN HA H 1 4.883 0.007 . 1 . . . . . . . . 5129 1 693 . 1 1 60 60 ASN HB2 H 1 2.808 0.007 . 1 . . . . . . . . 5129 1 694 . 1 1 60 60 ASN HB3 H 1 2.808 0.007 . 1 . . . . . . . . 5129 1 695 . 1 1 60 60 ASN HD21 H 1 7.478 0.007 . 1 . . . . . . . . 5129 1 696 . 1 1 60 60 ASN HD22 H 1 6.748 0.007 . 1 . . . . . . . . 5129 1 697 . 1 1 60 60 ASN CA C 13 53.63 0.293 . 1 . . . . . . . . 5129 1 698 . 1 1 60 60 ASN CB C 13 40.7 0.293 . 1 . . . . . . . . 5129 1 699 . 1 1 60 60 ASN N N 15 118.8 0.313 . 1 . . . . . . . . 5129 1 700 . 1 1 60 60 ASN ND2 N 15 112.8 0.313 . 1 . . . . . . . . 5129 1 701 . 1 1 61 61 SER H H 1 7.773 0.007 . 1 . . . . . . . . 5129 1 702 . 1 1 61 61 SER HA H 1 4.483 0.007 . 1 . . . . . . . . 5129 1 703 . 1 1 61 61 SER HB2 H 1 4.138 0.007 . 1 . . . . . . . . 5129 1 704 . 1 1 61 61 SER HB3 H 1 3.811 0.007 . 1 . . . . . . . . 5129 1 705 . 1 1 61 61 SER CA C 13 56.51 0.293 . 1 . . . . . . . . 5129 1 706 . 1 1 61 61 SER CB C 13 65.74 0.293 . 1 . . . . . . . . 5129 1 707 . 1 1 61 61 SER N N 15 111.8 0.313 . 1 . . . . . . . . 5129 1 708 . 1 1 62 62 VAL H H 1 9.363 0.007 . 1 . . . . . . . . 5129 1 709 . 1 1 62 62 VAL HA H 1 3.784 0.007 . 1 . . . . . . . . 5129 1 710 . 1 1 62 62 VAL HB H 1 2.056 0.007 . 1 . . . . . . . . 5129 1 711 . 1 1 62 62 VAL HG11 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 712 . 1 1 62 62 VAL HG12 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 713 . 1 1 62 62 VAL HG13 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 714 . 1 1 62 62 VAL HG21 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 715 . 1 1 62 62 VAL HG22 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 716 . 1 1 62 62 VAL HG23 H 1 0.955 0.007 . 1 . . . . . . . . 5129 1 717 . 1 1 62 62 VAL CA C 13 64.46 0.293 . 1 . . . . . . . . 5129 1 718 . 1 1 62 62 VAL CB C 13 31.75 0.293 . 1 . . . . . . . . 5129 1 719 . 1 1 62 62 VAL CG1 C 13 21.28 0.293 . 1 . . . . . . . . 5129 1 720 . 1 1 62 62 VAL CG2 C 13 21.28 0.293 . 1 . . . . . . . . 5129 1 721 . 1 1 62 62 VAL N N 15 121 0.313 . 1 . . . . . . . . 5129 1 722 . 1 1 63 63 ASP H H 1 8.218 0.007 . 1 . . . . . . . . 5129 1 723 . 1 1 63 63 ASP HA H 1 4.081 0.007 . 1 . . . . . . . . 5129 1 724 . 1 1 63 63 ASP HB2 H 1 2.588 0.007 . 1 . . . . . . . . 5129 1 725 . 1 1 63 63 ASP HB3 H 1 2.588 0.007 . 1 . . . . . . . . 5129 1 726 . 1 1 63 63 ASP CA C 13 57.32 0.293 . 1 . . . . . . . . 5129 1 727 . 1 1 63 63 ASP CB C 13 40.62 0.293 . 1 . . . . . . . . 5129 1 728 . 1 1 63 63 ASP N N 15 122.6 0.313 . 1 . . . . . . . . 5129 1 729 . 1 1 64 64 GLU H H 1 7.425 0.007 . 1 . . . . . . . . 5129 1 730 . 1 1 64 64 GLU HA H 1 4 0.007 . 1 . . . . . . . . 5129 1 731 . 1 1 64 64 GLU HB2 H 1 2.043 0.007 . 1 . . . . . . . . 5129 1 732 . 1 1 64 64 GLU HB3 H 1 2.043 0.007 . 1 . . . . . . . . 5129 1 733 . 1 1 64 64 GLU HG2 H 1 2.471 0.007 . 1 . . . . . . . . 5129 1 734 . 1 1 64 64 GLU HG3 H 1 2.471 0.007 . 1 . . . . . . . . 5129 1 735 . 1 1 64 64 GLU CA C 13 59.03 0.293 . 1 . . . . . . . . 5129 1 736 . 1 1 64 64 GLU CB C 13 31.42 0.293 . 1 . . . . . . . . 5129 1 737 . 1 1 64 64 GLU CG C 13 37.21 0.293 . 1 . . . . . . . . 5129 1 738 . 1 1 64 64 GLU N N 15 117.6 0.313 . 1 . . . . . . . . 5129 1 739 . 1 1 65 65 ILE H H 1 6.683 0.007 . 1 . . . . . . . . 5129 1 740 . 1 1 65 65 ILE HA H 1 3.075 0.007 . 1 . . . . . . . . 5129 1 741 . 1 1 65 65 ILE HB H 1 1.643 0.007 . 1 . . . . . . . . 5129 1 742 . 1 1 65 65 ILE HG12 H 1 0.996 0.007 . 1 . . . . . . . . 5129 1 743 . 1 1 65 65 ILE HG13 H 1 0.996 0.007 . 1 . . . . . . . . 5129 1 744 . 1 1 65 65 ILE HG21 H 1 0.377 0.007 . 1 . . . . . . . . 5129 1 745 . 1 1 65 65 ILE HG22 H 1 0.377 0.007 . 1 . . . . . . . . 5129 1 746 . 1 1 65 65 ILE HG23 H 1 0.377 0.007 . 1 . . . . . . . . 5129 1 747 . 1 1 65 65 ILE HD11 H 1 -0.479 0.007 . 1 . . . . . . . . 5129 1 748 . 1 1 65 65 ILE HD12 H 1 -0.479 0.007 . 1 . . . . . . . . 5129 1 749 . 1 1 65 65 ILE HD13 H 1 -0.479 0.007 . 1 . . . . . . . . 5129 1 750 . 1 1 65 65 ILE CA C 13 65.18 0.293 . 1 . . . . . . . . 5129 1 751 . 1 1 65 65 ILE CB C 13 37.86 0.293 . 1 . . . . . . . . 5129 1 752 . 1 1 65 65 ILE CG1 C 13 17.33 0.293 . 1 . . . . . . . . 5129 1 753 . 1 1 65 65 ILE CG2 C 13 14.84 0.293 . 1 . . . . . . . . 5129 1 754 . 1 1 65 65 ILE CD1 C 13 5.758 0.293 . 1 . . . . . . . . 5129 1 755 . 1 1 65 65 ILE N N 15 120.3 0.313 . 1 . . . . . . . . 5129 1 756 . 1 1 66 66 ARG H H 1 8.064 0.007 . 1 . . . . . . . . 5129 1 757 . 1 1 66 66 ARG HA H 1 3.577 0.007 . 1 . . . . . . . . 5129 1 758 . 1 1 66 66 ARG HB2 H 1 1.964 0.007 . 1 . . . . . . . . 5129 1 759 . 1 1 66 66 ARG HB3 H 1 1.964 0.007 . 1 . . . . . . . . 5129 1 760 . 1 1 66 66 ARG HG2 H 1 1.625 0.007 . 1 . . . . . . . . 5129 1 761 . 1 1 66 66 ARG HG3 H 1 1.625 0.007 . 1 . . . . . . . . 5129 1 762 . 1 1 66 66 ARG HD2 H 1 3.048 0.007 . 1 . . . . . . . . 5129 1 763 . 1 1 66 66 ARG HD3 H 1 3.048 0.007 . 1 . . . . . . . . 5129 1 764 . 1 1 66 66 ARG CA C 13 60.15 0.293 . 1 . . . . . . . . 5129 1 765 . 1 1 66 66 ARG CB C 13 29.72 0.293 . 1 . . . . . . . . 5129 1 766 . 1 1 66 66 ARG CG C 13 27.18 0.293 . 1 . . . . . . . . 5129 1 767 . 1 1 66 66 ARG CD C 13 43.71 0.293 . 1 . . . . . . . . 5129 1 768 . 1 1 66 66 ARG N N 15 119.5 0.313 . 1 . . . . . . . . 5129 1 769 . 1 1 67 67 LYS H H 1 7.965 0.007 . 1 . . . . . . . . 5129 1 770 . 1 1 67 67 LYS HA H 1 4.515 0.007 . 1 . . . . . . . . 5129 1 771 . 1 1 67 67 LYS HB2 H 1 1.771 0.007 . 1 . . . . . . . . 5129 1 772 . 1 1 67 67 LYS HB3 H 1 1.771 0.007 . 1 . . . . . . . . 5129 1 773 . 1 1 67 67 LYS HG2 H 1 1.355 0.007 . 1 . . . . . . . . 5129 1 774 . 1 1 67 67 LYS HG3 H 1 1.355 0.007 . 1 . . . . . . . . 5129 1 775 . 1 1 67 67 LYS HD2 H 1 1.586 0.007 . 1 . . . . . . . . 5129 1 776 . 1 1 67 67 LYS HD3 H 1 1.586 0.007 . 1 . . . . . . . . 5129 1 777 . 1 1 67 67 LYS HE2 H 1 2.869 0.007 . 1 . . . . . . . . 5129 1 778 . 1 1 67 67 LYS HE3 H 1 2.869 0.007 . 1 . . . . . . . . 5129 1 779 . 1 1 67 67 LYS CA C 13 59.64 0.293 . 1 . . . . . . . . 5129 1 780 . 1 1 67 67 LYS CB C 13 32.58 0.293 . 1 . . . . . . . . 5129 1 781 . 1 1 67 67 LYS CG C 13 21.67 0.293 . 1 . . . . . . . . 5129 1 782 . 1 1 67 67 LYS CD C 13 30.15 0.293 . 1 . . . . . . . . 5129 1 783 . 1 1 67 67 LYS N N 15 118 0.313 . 1 . . . . . . . . 5129 1 784 . 1 1 68 68 GLU H H 1 7.499 0.007 . 1 . . . . . . . . 5129 1 785 . 1 1 68 68 GLU HA H 1 3.679 0.007 . 1 . . . . . . . . 5129 1 786 . 1 1 68 68 GLU HB2 H 1 1.926 0.007 . 1 . . . . . . . . 5129 1 787 . 1 1 68 68 GLU HB3 H 1 1.926 0.007 . 1 . . . . . . . . 5129 1 788 . 1 1 68 68 GLU HG2 H 1 2.133 0.007 . 1 . . . . . . . . 5129 1 789 . 1 1 68 68 GLU HG3 H 1 2.133 0.007 . 1 . . . . . . . . 5129 1 790 . 1 1 68 68 GLU CA C 13 59.51 0.293 . 1 . . . . . . . . 5129 1 791 . 1 1 68 68 GLU CB C 13 29.64 0.293 . 1 . . . . . . . . 5129 1 792 . 1 1 68 68 GLU CG C 13 34.39 0.293 . 1 . . . . . . . . 5129 1 793 . 1 1 68 68 GLU N N 15 120.3 0.313 . 1 . . . . . . . . 5129 1 794 . 1 1 69 69 LEU H H 1 7.99 0.007 . 1 . . . . . . . . 5129 1 795 . 1 1 69 69 LEU HA H 1 3.927 0.007 . 1 . . . . . . . . 5129 1 796 . 1 1 69 69 LEU HB2 H 1 2.1 0.007 . 1 . . . . . . . . 5129 1 797 . 1 1 69 69 LEU HB3 H 1 2.1 0.007 . 1 . . . . . . . . 5129 1 798 . 1 1 69 69 LEU HG H 1 2.038 0.007 . 1 . . . . . . . . 5129 1 799 . 1 1 69 69 LEU HD11 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 800 . 1 1 69 69 LEU HD12 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 801 . 1 1 69 69 LEU HD13 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 802 . 1 1 69 69 LEU HD21 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 803 . 1 1 69 69 LEU HD22 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 804 . 1 1 69 69 LEU HD23 H 1 1.053 0.007 . 1 . . . . . . . . 5129 1 805 . 1 1 69 69 LEU CA C 13 57.02 0.293 . 1 . . . . . . . . 5129 1 806 . 1 1 69 69 LEU CB C 13 40.02 0.293 . 1 . . . . . . . . 5129 1 807 . 1 1 69 69 LEU CG C 13 24.38 0.293 . 1 . . . . . . . . 5129 1 808 . 1 1 69 69 LEU CD1 C 13 21.85 0.293 . 1 . . . . . . . . 5129 1 809 . 1 1 69 69 LEU CD2 C 13 21.85 0.293 . 1 . . . . . . . . 5129 1 810 . 1 1 69 69 LEU N N 15 120.3 0.313 . 1 . . . . . . . . 5129 1 811 . 1 1 70 70 GLU H H 1 8.454 0.007 . 1 . . . . . . . . 5129 1 812 . 1 1 70 70 GLU HA H 1 4.142 0.007 . 1 . . . . . . . . 5129 1 813 . 1 1 70 70 GLU HB2 H 1 2.061 0.007 . 1 . . . . . . . . 5129 1 814 . 1 1 70 70 GLU HB3 H 1 2.061 0.007 . 1 . . . . . . . . 5129 1 815 . 1 1 70 70 GLU HG2 H 1 2.142 0.007 . 1 . . . . . . . . 5129 1 816 . 1 1 70 70 GLU HG3 H 1 2.142 0.007 . 1 . . . . . . . . 5129 1 817 . 1 1 70 70 GLU CA C 13 59.86 0.293 . 1 . . . . . . . . 5129 1 818 . 1 1 70 70 GLU CB C 13 29.27 0.293 . 1 . . . . . . . . 5129 1 819 . 1 1 70 70 GLU CG C 13 37.4 0.293 . 1 . . . . . . . . 5129 1 820 . 1 1 70 70 GLU N N 15 121.6 0.313 . 1 . . . . . . . . 5129 1 821 . 1 1 71 71 GLU H H 1 8.201 0.007 . 1 . . . . . . . . 5129 1 822 . 1 1 71 71 GLU HA H 1 4.018 0.007 . 1 . . . . . . . . 5129 1 823 . 1 1 71 71 GLU HB2 H 1 2.215 0.007 . 1 . . . . . . . . 5129 1 824 . 1 1 71 71 GLU HB3 H 1 2.215 0.007 . 1 . . . . . . . . 5129 1 825 . 1 1 71 71 GLU HG2 H 1 2.389 0.007 . 1 . . . . . . . . 5129 1 826 . 1 1 71 71 GLU HG3 H 1 2.389 0.007 . 1 . . . . . . . . 5129 1 827 . 1 1 71 71 GLU CA C 13 59.08 0.293 . 1 . . . . . . . . 5129 1 828 . 1 1 71 71 GLU CB C 13 29.05 0.293 . 1 . . . . . . . . 5129 1 829 . 1 1 71 71 GLU CG C 13 37.16 0.293 . 1 . . . . . . . . 5129 1 830 . 1 1 71 71 GLU N N 15 121.9 0.313 . 1 . . . . . . . . 5129 1 831 . 1 1 72 72 ALA H H 1 7.284 0.007 . 1 . . . . . . . . 5129 1 832 . 1 1 72 72 ALA HA H 1 4.436 0.007 . 1 . . . . . . . . 5129 1 833 . 1 1 72 72 ALA HB1 H 1 1.413 0.007 . 1 . . . . . . . . 5129 1 834 . 1 1 72 72 ALA HB2 H 1 1.413 0.007 . 1 . . . . . . . . 5129 1 835 . 1 1 72 72 ALA HB3 H 1 1.413 0.007 . 1 . . . . . . . . 5129 1 836 . 1 1 72 72 ALA CA C 13 51.84 0.293 . 1 . . . . . . . . 5129 1 837 . 1 1 72 72 ALA CB C 13 18.49 0.293 . 1 . . . . . . . . 5129 1 838 . 1 1 72 72 ALA N N 15 120.6 0.313 . 1 . . . . . . . . 5129 1 839 . 1 1 73 73 GLY H H 1 7.874 0.007 . 1 . . . . . . . . 5129 1 840 . 1 1 73 73 GLY HA2 H 1 4.178 0.007 . 1 . . . . . . . . 5129 1 841 . 1 1 73 73 GLY HA3 H 1 3.674 0.007 . 1 . . . . . . . . 5129 1 842 . 1 1 73 73 GLY CA C 13 45.73 0.293 . 1 . . . . . . . . 5129 1 843 . 1 1 73 73 GLY N N 15 107.3 0.313 . 1 . . . . . . . . 5129 1 844 . 1 1 74 74 ALA H H 1 8.281 0.007 . 1 . . . . . . . . 5129 1 845 . 1 1 74 74 ALA HA H 1 5.037 0.007 . 1 . . . . . . . . 5129 1 846 . 1 1 74 74 ALA HB1 H 1 0.975 0.007 . 1 . . . . . . . . 5129 1 847 . 1 1 74 74 ALA HB2 H 1 0.975 0.007 . 1 . . . . . . . . 5129 1 848 . 1 1 74 74 ALA HB3 H 1 0.975 0.007 . 1 . . . . . . . . 5129 1 849 . 1 1 74 74 ALA CA C 13 50.17 0.293 . 1 . . . . . . . . 5129 1 850 . 1 1 74 74 ALA CB C 13 22.7 0.293 . 1 . . . . . . . . 5129 1 851 . 1 1 74 74 ALA N N 15 123.5 0.313 . 1 . . . . . . . . 5129 1 852 . 1 1 75 75 LYS H H 1 8.455 0.007 . 1 . . . . . . . . 5129 1 853 . 1 1 75 75 LYS HA H 1 4.436 0.007 . 1 . . . . . . . . 5129 1 854 . 1 1 75 75 LYS HB2 H 1 1.585 0.007 . 1 . . . . . . . . 5129 1 855 . 1 1 75 75 LYS HB3 H 1 1.585 0.007 . 1 . . . . . . . . 5129 1 856 . 1 1 75 75 LYS HG2 H 1 1.216 0.007 . 1 . . . . . . . . 5129 1 857 . 1 1 75 75 LYS HG3 H 1 1.216 0.007 . 1 . . . . . . . . 5129 1 858 . 1 1 75 75 LYS HD2 H 1 1.64 0.007 . 1 . . . . . . . . 5129 1 859 . 1 1 75 75 LYS HD3 H 1 1.64 0.007 . 1 . . . . . . . . 5129 1 860 . 1 1 75 75 LYS HE2 H 1 2.873 0.007 . 1 . . . . . . . . 5129 1 861 . 1 1 75 75 LYS HE3 H 1 2.873 0.007 . 1 . . . . . . . . 5129 1 862 . 1 1 75 75 LYS HZ1 H 1 7.72 0.007 . 1 . . . . . . . . 5129 1 863 . 1 1 75 75 LYS HZ2 H 1 7.72 0.007 . 1 . . . . . . . . 5129 1 864 . 1 1 75 75 LYS HZ3 H 1 7.72 0.007 . 1 . . . . . . . . 5129 1 865 . 1 1 75 75 LYS CA C 13 54.44 0.293 . 1 . . . . . . . . 5129 1 866 . 1 1 75 75 LYS CB C 13 34.52 0.293 . 1 . . . . . . . . 5129 1 867 . 1 1 75 75 LYS CG C 13 24.79 0.293 . 1 . . . . . . . . 5129 1 868 . 1 1 75 75 LYS CD C 13 28.53 0.293 . 1 . . . . . . . . 5129 1 869 . 1 1 75 75 LYS CE C 13 42.55 0.293 . 1 . . . . . . . . 5129 1 870 . 1 1 75 75 LYS N N 15 120.4 0.313 . 1 . . . . . . . . 5129 1 871 . 1 1 76 76 ILE H H 1 8.315 0.007 . 1 . . . . . . . . 5129 1 872 . 1 1 76 76 ILE HA H 1 4.643 0.007 . 1 . . . . . . . . 5129 1 873 . 1 1 76 76 ILE HB H 1 1.413 0.007 . 1 . . . . . . . . 5129 1 874 . 1 1 76 76 ILE HG12 H 1 0.985 0.007 . 1 . . . . . . . . 5129 1 875 . 1 1 76 76 ILE HG13 H 1 0.985 0.007 . 1 . . . . . . . . 5129 1 876 . 1 1 76 76 ILE HG21 H 1 0.78 0.007 . 1 . . . . . . . . 5129 1 877 . 1 1 76 76 ILE HG22 H 1 0.78 0.007 . 1 . . . . . . . . 5129 1 878 . 1 1 76 76 ILE HG23 H 1 0.78 0.007 . 1 . . . . . . . . 5129 1 879 . 1 1 76 76 ILE HD11 H 1 0.436 0.007 . 1 . . . . . . . . 5129 1 880 . 1 1 76 76 ILE HD12 H 1 0.436 0.007 . 1 . . . . . . . . 5129 1 881 . 1 1 76 76 ILE HD13 H 1 0.436 0.007 . 1 . . . . . . . . 5129 1 882 . 1 1 76 76 ILE CA C 13 58.95 0.293 . 1 . . . . . . . . 5129 1 883 . 1 1 76 76 ILE CB C 13 41.21 0.293 . 1 . . . . . . . . 5129 1 884 . 1 1 76 76 ILE CG1 C 13 23.96 0.293 . 1 . . . . . . . . 5129 1 885 . 1 1 76 76 ILE CG2 C 13 15.33 0.293 . 1 . . . . . . . . 5129 1 886 . 1 1 76 76 ILE CD1 C 13 14.71 0.293 . 1 . . . . . . . . 5129 1 887 . 1 1 76 76 ILE N N 15 123.1 0.313 . 1 . . . . . . . . 5129 1 888 . 1 1 77 77 ASN H H 1 8.44 0.007 . 1 . . . . . . . . 5129 1 889 . 1 1 77 77 ASN HA H 1 4.664 0.007 . 1 . . . . . . . . 5129 1 890 . 1 1 77 77 ASN HB2 H 1 2.849 0.007 . 1 . . . . . . . . 5129 1 891 . 1 1 77 77 ASN HB3 H 1 3.235 0.007 . 1 . . . . . . . . 5129 1 892 . 1 1 77 77 ASN HD21 H 1 6.699 0.007 . 1 . . . . . . . . 5129 1 893 . 1 1 77 77 ASN HD22 H 1 6.128 0.007 . 1 . . . . . . . . 5129 1 894 . 1 1 77 77 ASN CA C 13 52.36 0.293 . 1 . . . . . . . . 5129 1 895 . 1 1 77 77 ASN CB C 13 39.27 0.293 . 1 . . . . . . . . 5129 1 896 . 1 1 77 77 ASN N N 15 124.2 0.313 . 1 . . . . . . . . 5129 1 897 . 1 1 77 77 ASN ND2 N 15 112.6 0.313 . 1 . . . . . . . . 5129 1 898 . 1 1 78 78 HIS H H 1 8.175 0.007 . 1 . . . . . . . . 5129 1 899 . 1 1 78 78 HIS HA H 1 4.672 0.007 . 1 . . . . . . . . 5129 1 900 . 1 1 78 78 HIS HB2 H 1 2.66 0.007 . 1 . . . . . . . . 5129 1 901 . 1 1 78 78 HIS HB3 H 1 3.277 0.007 . 1 . . . . . . . . 5129 1 902 . 1 1 78 78 HIS HD2 H 1 6.873 0.007 . 2 . . . . . . . . 5129 1 903 . 1 1 78 78 HIS HE1 H 1 8.068 0.007 . 2 . . . . . . . . 5129 1 904 . 1 1 78 78 HIS CA C 13 64.63 0.293 . 1 . . . . . . . . 5129 1 905 . 1 1 78 78 HIS CB C 13 29.63 0.293 . 1 . . . . . . . . 5129 1 906 . 1 1 78 78 HIS N N 15 120.9 0.313 . 1 . . . . . . . . 5129 1 907 . 1 1 78 78 HIS ND1 N 15 115.7 0.313 . 2 . . . . . . . . 5129 1 908 . 1 1 78 78 HIS NE2 N 15 115.7 0.313 . 2 . . . . . . . . 5129 1 909 . 1 1 79 79 THR H H 1 7.926 0.007 . 1 . . . . . . . . 5129 1 910 . 1 1 79 79 THR HA H 1 4.43 0.007 . 1 . . . . . . . . 5129 1 911 . 1 1 79 79 THR HB H 1 3.602 0.007 . 1 . . . . . . . . 5129 1 912 . 1 1 79 79 THR HG21 H 1 1.051 0.007 . 1 . . . . . . . . 5129 1 913 . 1 1 79 79 THR HG22 H 1 1.051 0.007 . 1 . . . . . . . . 5129 1 914 . 1 1 79 79 THR HG23 H 1 1.051 0.007 . 1 . . . . . . . . 5129 1 915 . 1 1 79 79 THR CA C 13 58.06 0.293 . 1 . . . . . . . . 5129 1 916 . 1 1 79 79 THR CB C 13 64.29 0.293 . 1 . . . . . . . . 5129 1 917 . 1 1 79 79 THR CG2 C 13 21.5 0.293 . 1 . . . . . . . . 5129 1 918 . 1 1 79 79 THR N N 15 114.4 0.313 . 1 . . . . . . . . 5129 1 919 . 1 1 80 80 THR H H 1 7.853 0.007 . 1 . . . . . . . . 5129 1 920 . 1 1 80 80 THR HA H 1 4.294 0.007 . 1 . . . . . . . . 5129 1 921 . 1 1 80 80 THR HB H 1 3.674 0.007 . 1 . . . . . . . . 5129 1 922 . 1 1 80 80 THR HG21 H 1 1.014 0.007 . 1 . . . . . . . . 5129 1 923 . 1 1 80 80 THR HG22 H 1 1.014 0.007 . 1 . . . . . . . . 5129 1 924 . 1 1 80 80 THR HG23 H 1 1.014 0.007 . 1 . . . . . . . . 5129 1 925 . 1 1 80 80 THR CA C 13 64.15 0.293 . 1 . . . . . . . . 5129 1 926 . 1 1 80 80 THR CB C 13 70.15 0.293 . 1 . . . . . . . . 5129 1 927 . 1 1 80 80 THR CG2 C 13 21.4 0.293 . 1 . . . . . . . . 5129 1 928 . 1 1 80 80 THR N N 15 122.2 0.313 . 1 . . . . . . . . 5129 1 929 . 1 1 81 81 LEU H H 1 8.412 0.007 . 1 . . . . . . . . 5129 1 930 . 1 1 81 81 LEU HA H 1 4.315 0.007 . 1 . . . . . . . . 5129 1 931 . 1 1 81 81 LEU HB2 H 1 1.747 0.007 . 1 . . . . . . . . 5129 1 932 . 1 1 81 81 LEU HB3 H 1 1.747 0.007 . 1 . . . . . . . . 5129 1 933 . 1 1 81 81 LEU HG H 1 1.728 0.007 . 1 . . . . . . . . 5129 1 934 . 1 1 81 81 LEU HD11 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 935 . 1 1 81 81 LEU HD12 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 936 . 1 1 81 81 LEU HD13 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 937 . 1 1 81 81 LEU HD21 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 938 . 1 1 81 81 LEU HD22 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 939 . 1 1 81 81 LEU HD23 H 1 0.866 0.007 . 1 . . . . . . . . 5129 1 940 . 1 1 81 81 LEU CA C 13 56.72 0.293 . 1 . . . . . . . . 5129 1 941 . 1 1 81 81 LEU CB C 13 40.95 0.293 . 1 . . . . . . . . 5129 1 942 . 1 1 81 81 LEU CG C 13 24.35 0.293 . 1 . . . . . . . . 5129 1 943 . 1 1 81 81 LEU CD1 C 13 21.05 0.293 . 1 . . . . . . . . 5129 1 944 . 1 1 81 81 LEU CD2 C 13 21.05 0.293 . 1 . . . . . . . . 5129 1 945 . 1 1 81 81 LEU N N 15 122 0.313 . 1 . . . . . . . . 5129 1 946 . 1 1 82 82 LYS H H 1 7.873 0.007 . 1 . . . . . . . . 5129 1 947 . 1 1 82 82 LYS HA H 1 3.955 0.007 . 1 . . . . . . . . 5129 1 948 . 1 1 82 82 LYS HB2 H 1 1.784 0.007 . 1 . . . . . . . . 5129 1 949 . 1 1 82 82 LYS HB3 H 1 1.784 0.007 . 1 . . . . . . . . 5129 1 950 . 1 1 82 82 LYS HG2 H 1 1.359 0.007 . 1 . . . . . . . . 5129 1 951 . 1 1 82 82 LYS HG3 H 1 1.359 0.007 . 1 . . . . . . . . 5129 1 952 . 1 1 82 82 LYS HD2 H 1 1.742 0.007 . 1 . . . . . . . . 5129 1 953 . 1 1 82 82 LYS HD3 H 1 1.742 0.007 . 1 . . . . . . . . 5129 1 954 . 1 1 82 82 LYS HE2 H 1 2.927 0.007 . 1 . . . . . . . . 5129 1 955 . 1 1 82 82 LYS HE3 H 1 2.927 0.007 . 1 . . . . . . . . 5129 1 956 . 1 1 82 82 LYS HZ1 H 1 7.35 0.007 . 1 . . . . . . . . 5129 1 957 . 1 1 82 82 LYS HZ2 H 1 7.35 0.007 . 1 . . . . . . . . 5129 1 958 . 1 1 82 82 LYS HZ3 H 1 7.35 0.007 . 1 . . . . . . . . 5129 1 959 . 1 1 82 82 LYS CA C 13 58.23 0.293 . 1 . . . . . . . . 5129 1 960 . 1 1 82 82 LYS CB C 13 31.39 0.293 . 1 . . . . . . . . 5129 1 961 . 1 1 82 82 LYS CG C 13 24.38 0.293 . 1 . . . . . . . . 5129 1 962 . 1 1 82 82 LYS CD C 13 27.24 0.293 . 1 . . . . . . . . 5129 1 963 . 1 1 82 82 LYS CE C 13 42.14 0.293 . 1 . . . . . . . . 5129 1 964 . 1 1 82 82 LYS N N 15 117.9 0.313 . 1 . . . . . . . . 5129 1 965 . 1 1 83 83 ILE H H 1 7.466 0.007 . 1 . . . . . . . . 5129 1 966 . 1 1 83 83 ILE HA H 1 4.51 0.007 . 1 . . . . . . . . 5129 1 967 . 1 1 83 83 ILE HB H 1 1.94 0.007 . 1 . . . . . . . . 5129 1 968 . 1 1 83 83 ILE HG12 H 1 1.147 0.007 . 1 . . . . . . . . 5129 1 969 . 1 1 83 83 ILE HG13 H 1 1.147 0.007 . 1 . . . . . . . . 5129 1 970 . 1 1 83 83 ILE HG21 H 1 0.3 0.007 . 1 . . . . . . . . 5129 1 971 . 1 1 83 83 ILE HG22 H 1 0.3 0.007 . 1 . . . . . . . . 5129 1 972 . 1 1 83 83 ILE HG23 H 1 0.3 0.007 . 1 . . . . . . . . 5129 1 973 . 1 1 83 83 ILE HD11 H 1 0.769 0.007 . 1 . . . . . . . . 5129 1 974 . 1 1 83 83 ILE HD12 H 1 0.769 0.007 . 1 . . . . . . . . 5129 1 975 . 1 1 83 83 ILE HD13 H 1 0.769 0.007 . 1 . . . . . . . . 5129 1 976 . 1 1 83 83 ILE CA C 13 64.85 0.293 . 1 . . . . . . . . 5129 1 977 . 1 1 83 83 ILE CB C 13 38.13 0.293 . 1 . . . . . . . . 5129 1 978 . 1 1 83 83 ILE CG1 C 13 22.05 0.293 . 1 . . . . . . . . 5129 1 979 . 1 1 83 83 ILE CG2 C 13 17.39 0.293 . 1 . . . . . . . . 5129 1 980 . 1 1 83 83 ILE CD1 C 13 13.63 0.293 . 1 . . . . . . . . 5129 1 981 . 1 1 83 83 ILE N N 15 120.6 0.313 . 1 . . . . . . . . 5129 1 982 . 1 1 84 84 LEU H H 1 7.699 0.007 . 1 . . . . . . . . 5129 1 983 . 1 1 84 84 LEU HA H 1 3.952 0.007 . 1 . . . . . . . . 5129 1 984 . 1 1 84 84 LEU HB2 H 1 1.774 0.007 . 1 . . . . . . . . 5129 1 985 . 1 1 84 84 LEU HB3 H 1 1.774 0.007 . 1 . . . . . . . . 5129 1 986 . 1 1 84 84 LEU HG H 1 1.749 0.007 . 1 . . . . . . . . 5129 1 987 . 1 1 84 84 LEU HD11 H 1 0.833 0.007 . 1 . . . . . . . . 5129 1 988 . 1 1 84 84 LEU HD12 H 1 0.833 0.007 . 1 . . . . . . . . 5129 1 989 . 1 1 84 84 LEU HD13 H 1 0.833 0.007 . 1 . . . . . . . . 5129 1 990 . 1 1 84 84 LEU HD21 H 1 1.045 0.007 . 1 . . . . . . . . 5129 1 991 . 1 1 84 84 LEU HD22 H 1 1.045 0.007 . 1 . . . . . . . . 5129 1 992 . 1 1 84 84 LEU HD23 H 1 1.045 0.007 . 1 . . . . . . . . 5129 1 993 . 1 1 84 84 LEU CA C 13 58.22 0.293 . 1 . . . . . . . . 5129 1 994 . 1 1 84 84 LEU CB C 13 41.45 0.293 . 1 . . . . . . . . 5129 1 995 . 1 1 84 84 LEU CG C 13 26.45 0.293 . 1 . . . . . . . . 5129 1 996 . 1 1 84 84 LEU CD1 C 13 20.9 0.293 . 2 . . . . . . . . 5129 1 997 . 1 1 84 84 LEU CD2 C 13 20.46 0.293 . 2 . . . . . . . . 5129 1 998 . 1 1 84 84 LEU N N 15 118.9 0.313 . 1 . . . . . . . . 5129 1 999 . 1 1 85 85 GLU H H 1 8.358 0.007 . 1 . . . . . . . . 5129 1 1000 . 1 1 85 85 GLU HA H 1 4.125 0.007 . 1 . . . . . . . . 5129 1 1001 . 1 1 85 85 GLU HB2 H 1 2.132 0.007 . 1 . . . . . . . . 5129 1 1002 . 1 1 85 85 GLU HB3 H 1 2.132 0.007 . 1 . . . . . . . . 5129 1 1003 . 1 1 85 85 GLU HG2 H 1 2.445 0.007 . 1 . . . . . . . . 5129 1 1004 . 1 1 85 85 GLU HG3 H 1 2.445 0.007 . 1 . . . . . . . . 5129 1 1005 . 1 1 85 85 GLU CA C 13 59.57 0.293 . 1 . . . . . . . . 5129 1 1006 . 1 1 85 85 GLU CB C 13 30.21 0.293 . 1 . . . . . . . . 5129 1 1007 . 1 1 85 85 GLU CG C 13 37.39 0.293 . 1 . . . . . . . . 5129 1 1008 . 1 1 85 85 GLU N N 15 119.1 0.313 . 1 . . . . . . . . 5129 1 1009 . 1 1 86 86 GLY H H 1 7.46 0.007 . 1 . . . . . . . . 5129 1 1010 . 1 1 86 86 GLY HA2 H 1 4.011 0.007 . 1 . . . . . . . . 5129 1 1011 . 1 1 86 86 GLY HA3 H 1 3.858 0.007 . 1 . . . . . . . . 5129 1 1012 . 1 1 86 86 GLY CA C 13 45.95 0.293 . 1 . . . . . . . . 5129 1 1013 . 1 1 86 86 GLY N N 15 103.5 0.313 . 1 . . . . . . . . 5129 1 1014 . 1 1 87 87 HIS H H 1 7.961 0.007 . 1 . . . . . . . . 5129 1 1015 . 1 1 87 87 HIS HA H 1 4.278 0.007 . 1 . . . . . . . . 5129 1 1016 . 1 1 87 87 HIS HB2 H 1 2.885 0.007 . 1 . . . . . . . . 5129 1 1017 . 1 1 87 87 HIS HB3 H 1 2.885 0.007 . 1 . . . . . . . . 5129 1 1018 . 1 1 87 87 HIS HD2 H 1 7.99 0.007 . 2 . . . . . . . . 5129 1 1019 . 1 1 87 87 HIS HE1 H 1 6.813 0.007 . 2 . . . . . . . . 5129 1 1020 . 1 1 87 87 HIS CA C 13 56.43 0.293 . 1 . . . . . . . . 5129 1 1021 . 1 1 87 87 HIS CB C 13 30.16 0.293 . 1 . . . . . . . . 5129 1 1022 . 1 1 87 87 HIS N N 15 118 0.313 . 1 . . . . . . . . 5129 1 1023 . 1 1 87 87 HIS ND1 N 15 116.1 0.313 . 2 . . . . . . . . 5129 1 1024 . 1 1 87 87 HIS NE2 N 15 116.1 0.313 . 2 . . . . . . . . 5129 1 1025 . 1 1 88 88 LEU H H 1 7.07 0.007 . 1 . . . . . . . . 5129 1 1026 . 1 1 88 88 LEU HA H 1 4.28 0.007 . 1 . . . . . . . . 5129 1 1027 . 1 1 88 88 LEU HB2 H 1 1.666 0.007 . 1 . . . . . . . . 5129 1 1028 . 1 1 88 88 LEU HB3 H 1 1.666 0.007 . 1 . . . . . . . . 5129 1 1029 . 1 1 88 88 LEU HG H 1 1.585 0.007 . 1 . . . . . . . . 5129 1 1030 . 1 1 88 88 LEU HD11 H 1 0.596 0.007 . 2 . . . . . . . . 5129 1 1031 . 1 1 88 88 LEU HD12 H 1 0.596 0.007 . 2 . . . . . . . . 5129 1 1032 . 1 1 88 88 LEU HD13 H 1 0.596 0.007 . 2 . . . . . . . . 5129 1 1033 . 1 1 88 88 LEU HD21 H 1 0.345 0.007 . 2 . . . . . . . . 5129 1 1034 . 1 1 88 88 LEU HD22 H 1 0.345 0.007 . 2 . . . . . . . . 5129 1 1035 . 1 1 88 88 LEU HD23 H 1 0.345 0.007 . 2 . . . . . . . . 5129 1 1036 . 1 1 88 88 LEU CA C 13 56.34 0.293 . 1 . . . . . . . . 5129 1 1037 . 1 1 88 88 LEU CB C 13 42.62 0.293 . 1 . . . . . . . . 5129 1 1038 . 1 1 88 88 LEU CG C 13 25.29 0.293 . 1 . . . . . . . . 5129 1 1039 . 1 1 88 88 LEU CD1 C 13 21.41 0.293 . 2 . . . . . . . . 5129 1 1040 . 1 1 88 88 LEU CD2 C 13 22.78 0.293 . 2 . . . . . . . . 5129 1 1041 . 1 1 88 88 LEU N N 15 126.1 0.313 . 1 . . . . . . . . 5129 1 stop_ save_