data_6820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6820 _Entry.Title ; Solution Structure Of The Calcium-loaded N-Terminal Sensor Domain Of Centrin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-09 _Entry.Accession_date 2005-09-29 _Entry.Last_release_date . _Entry.Original_release_date . _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 H. Hu . T. . 6820 2 P. Fagan . A. . 6820 3 C. Bunick . G. . 6820 4 J. Sheehan . H. . 6820 5 W. Chazin . J. . 6820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 6820 '15N chemical shifts' 93 6820 '1H chemical shifts' 662 6820 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2006-11-06 . original author 'Original release' 6820 1 . . 2006-12-28 . update author 'adding chemical shift reference, shift error and ambiguity code' 6820 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AMI 'BMRB Entry Tracking System' 6820 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6820 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16317001 _Citation.Full_citation . _Citation.Title ; Structure of the N-terminal calcium sensor domain of centrin reveals the biochemical basis for domain-specific function. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _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 2876 _Citation.Page_last 2881 _Citation.Year 2006 _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 H. Hu . T. . 6820 1 2 P. Fagan . A. . 6820 1 3 C. Bunick . G. . 6820 1 4 J. Sheehan . H. . 6820 1 5 W. Chazin . J. . 6820 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Calcium Sensor' 6820 1 Calmodulin 6820 1 Centrin 6820 1 'EF-Hand Calcium Binding Protein' 6820 1 'Four-Helix Bundle' 6820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Caltractin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Caltractin _Assembly.Entry_ID 6820 _Assembly.ID 1 _Assembly.Name Caltractin _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 6820 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 Caltractin 1 $Caltractin . . . native . . . . . 6820 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2AMI . CALTRACTIN . . . . 6820 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Caltractin abbreviation 6820 1 Caltractin system 6820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Caltractin _Entity.Sf_category entity _Entity.Sf_framecode Caltractin _Entity.Entry_ID 6820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Caltractin _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 ; GSMSYKAKTVVSARRDQKKG RVGLTEEQKQEIREAFDLFD TDGSGTIDAKELKVAMRALG FEPKKEEIKKMISEIDKDGS GTIDFEEFLTMMTAKM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6918 . CRC-N . . . . . 100.00 96 100.00 100.00 1.18e-59 . . . . 6820 1 2 no PDB 2AMI . "Solution Structure Of The Calcium-loaded N-terminal Sensor Domain Of Centrin" . . . . . 100.00 96 100.00 100.00 1.18e-59 . . . . 6820 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Caltractin abbreviation 6820 1 Caltractin common 6820 1 Centrin variant 6820 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 . GLY . 6820 1 2 . SER . 6820 1 3 . MET . 6820 1 4 . SER . 6820 1 5 . TYR . 6820 1 6 . LYS . 6820 1 7 . ALA . 6820 1 8 . LYS . 6820 1 9 . THR . 6820 1 10 . VAL . 6820 1 11 . VAL . 6820 1 12 . SER . 6820 1 13 . ALA . 6820 1 14 . ARG . 6820 1 15 . ARG . 6820 1 16 . ASP . 6820 1 17 . GLN . 6820 1 18 . LYS . 6820 1 19 . LYS . 6820 1 20 . GLY . 6820 1 21 . ARG . 6820 1 22 . VAL . 6820 1 23 . GLY . 6820 1 24 . LEU . 6820 1 25 . THR . 6820 1 26 . GLU . 6820 1 27 . GLU . 6820 1 28 . GLN . 6820 1 29 . LYS . 6820 1 30 . GLN . 6820 1 31 . GLU . 6820 1 32 . ILE . 6820 1 33 . ARG . 6820 1 34 . GLU . 6820 1 35 . ALA . 6820 1 36 . PHE . 6820 1 37 . ASP . 6820 1 38 . LEU . 6820 1 39 . PHE . 6820 1 40 . ASP . 6820 1 41 . THR . 6820 1 42 . ASP . 6820 1 43 . GLY . 6820 1 44 . SER . 6820 1 45 . GLY . 6820 1 46 . THR . 6820 1 47 . ILE . 6820 1 48 . ASP . 6820 1 49 . ALA . 6820 1 50 . LYS . 6820 1 51 . GLU . 6820 1 52 . LEU . 6820 1 53 . LYS . 6820 1 54 . VAL . 6820 1 55 . ALA . 6820 1 56 . MET . 6820 1 57 . ARG . 6820 1 58 . ALA . 6820 1 59 . LEU . 6820 1 60 . GLY . 6820 1 61 . PHE . 6820 1 62 . GLU . 6820 1 63 . PRO . 6820 1 64 . LYS . 6820 1 65 . LYS . 6820 1 66 . GLU . 6820 1 67 . GLU . 6820 1 68 . ILE . 6820 1 69 . LYS . 6820 1 70 . LYS . 6820 1 71 . MET . 6820 1 72 . ILE . 6820 1 73 . SER . 6820 1 74 . GLU . 6820 1 75 . ILE . 6820 1 76 . ASP . 6820 1 77 . LYS . 6820 1 78 . ASP . 6820 1 79 . GLY . 6820 1 80 . SER . 6820 1 81 . GLY . 6820 1 82 . THR . 6820 1 83 . ILE . 6820 1 84 . ASP . 6820 1 85 . PHE . 6820 1 86 . GLU . 6820 1 87 . GLU . 6820 1 88 . PHE . 6820 1 89 . LEU . 6820 1 90 . THR . 6820 1 91 . MET . 6820 1 92 . MET . 6820 1 93 . THR . 6820 1 94 . ALA . 6820 1 95 . LYS . 6820 1 96 . MET . 6820 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 . GLY 1 1 6820 1 . SER 2 2 6820 1 . MET 3 3 6820 1 . SER 4 4 6820 1 . TYR 5 5 6820 1 . LYS 6 6 6820 1 . ALA 7 7 6820 1 . LYS 8 8 6820 1 . THR 9 9 6820 1 . VAL 10 10 6820 1 . VAL 11 11 6820 1 . SER 12 12 6820 1 . ALA 13 13 6820 1 . ARG 14 14 6820 1 . ARG 15 15 6820 1 . ASP 16 16 6820 1 . GLN 17 17 6820 1 . LYS 18 18 6820 1 . LYS 19 19 6820 1 . GLY 20 20 6820 1 . ARG 21 21 6820 1 . VAL 22 22 6820 1 . GLY 23 23 6820 1 . LEU 24 24 6820 1 . THR 25 25 6820 1 . GLU 26 26 6820 1 . GLU 27 27 6820 1 . GLN 28 28 6820 1 . LYS 29 29 6820 1 . GLN 30 30 6820 1 . GLU 31 31 6820 1 . ILE 32 32 6820 1 . ARG 33 33 6820 1 . GLU 34 34 6820 1 . ALA 35 35 6820 1 . PHE 36 36 6820 1 . ASP 37 37 6820 1 . LEU 38 38 6820 1 . PHE 39 39 6820 1 . ASP 40 40 6820 1 . THR 41 41 6820 1 . ASP 42 42 6820 1 . GLY 43 43 6820 1 . SER 44 44 6820 1 . GLY 45 45 6820 1 . THR 46 46 6820 1 . ILE 47 47 6820 1 . ASP 48 48 6820 1 . ALA 49 49 6820 1 . LYS 50 50 6820 1 . GLU 51 51 6820 1 . LEU 52 52 6820 1 . LYS 53 53 6820 1 . VAL 54 54 6820 1 . ALA 55 55 6820 1 . MET 56 56 6820 1 . ARG 57 57 6820 1 . ALA 58 58 6820 1 . LEU 59 59 6820 1 . GLY 60 60 6820 1 . PHE 61 61 6820 1 . GLU 62 62 6820 1 . PRO 63 63 6820 1 . LYS 64 64 6820 1 . LYS 65 65 6820 1 . GLU 66 66 6820 1 . GLU 67 67 6820 1 . ILE 68 68 6820 1 . LYS 69 69 6820 1 . LYS 70 70 6820 1 . MET 71 71 6820 1 . ILE 72 72 6820 1 . SER 73 73 6820 1 . GLU 74 74 6820 1 . ILE 75 75 6820 1 . ASP 76 76 6820 1 . LYS 77 77 6820 1 . ASP 78 78 6820 1 . GLY 79 79 6820 1 . SER 80 80 6820 1 . GLY 81 81 6820 1 . THR 82 82 6820 1 . ILE 83 83 6820 1 . ASP 84 84 6820 1 . PHE 85 85 6820 1 . GLU 86 86 6820 1 . GLU 87 87 6820 1 . PHE 88 88 6820 1 . LEU 89 89 6820 1 . THR 90 90 6820 1 . MET 91 91 6820 1 . MET 92 92 6820 1 . THR 93 93 6820 1 . ALA 94 94 6820 1 . LYS 95 95 6820 1 . MET 96 96 6820 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 6820 _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 $Caltractin . 3055 . . 'Chlamydomonas reinhardtii' 'Chlamydomonas reinhardtii' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 6820 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 6820 _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 $Caltractin . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6820 _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 Caltractin . . . 1 $Caltractin . . . 1 2 mM . . . . 6820 1 2 Tris-d11 . . . . . . . 25 . . mM . . . . 6820 1 3 CaCl2 . . . . . . . . 5 10 mM . . . . 6820 1 4 H2O . . . . . . . 90 . . % . . . . 6820 1 5 D2O . . . . . . . 10 . . % . . . . 6820 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6820 _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 Caltractin [U-15N] . . 1 $Caltractin . . . 1 2 mM . . . . 6820 2 2 Tris-d11 . . . . . . . 25 . . mM . . . . 6820 2 3 CaCl2 . . . . . . . . 5 10 mM . . . . 6820 2 4 H2O . . . . . . . 90 . . % . . . . 6820 2 5 D2O . . . . . . . 10 . . % . . . . 6820 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6820 _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 Caltractin [U-13C] . . 1 $Caltractin . . . 1 2 mM . . . . 6820 3 2 Tris-d11 . . . . . . . 25 . . mM . . . . 6820 3 3 CaCl2 . . . . . . . . 5 10 mM . . . . 6820 3 4 H2O . . . . . . . 90 . . % . . . . 6820 3 5 D2O . . . . . . . 10 . . % . . . . 6820 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6820 _Sample.ID 4 _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 Caltractin '[U-13C; U-15N]' . . 1 $Caltractin . . . 1 2 mM . . . . 6820 4 2 Tris-d11 . . . . . . . 25 . . mM . . . . 6820 4 3 CaCl2 . . . . . . . . 5 10 mM . . . . 6820 4 4 H2O . . . . . . . 90 . . % . . . . 6820 4 5 D2O . . . . . . . 10 . . % . . . . 6820 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 6820 _Sample.ID 5 _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 Caltractin '[U-10% 13C]' . . 1 $Caltractin . . . 1 2 mM . . . . 6820 5 2 Tris-d11 . . . . . . . 25 . . mM . . . . 6820 5 3 CaCl2 . . . . . . . . 5 10 mM . . . . 6820 5 4 H2O . . . . . . . 90 . . % . . . . 6820 5 5 D2O . . . . . . . 10 . . % . . . . 6820 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6820 _Sample_condition_list.ID 1 _Sample_condition_list.Details '5-10 mM CaCl2' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 7.5 . mM 6820 1 pH 7 . n/a 6820 1 pressure 1 . atm 6820 1 temperature 298 . K 6820 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6820 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6820 1 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 6820 _Software.ID 2 _Software.Name SANE _Software.Version 1 _Software.Details 'Duggan, B.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6820 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6820 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Guntert P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6820 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6820 _Software.ID 4 _Software.Name AMBER _Software.Version 7.0 _Software.Details 'Pearlman, D.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6820 4 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6820 _Software.ID 5 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6820 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6820 _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 Bruker DRX . 800 . . . 6820 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 6820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6820 1 2 '3D 15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6820 1 3 '3D 13C-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6820 1 4 '4D 13C-HMQC-NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6820 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 6820 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 6820 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6820 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 13C-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6820 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '4D 13C-HMQC-NOESY-HMQC' _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 6820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6820 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6820 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6820 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 $sample_1 . 6820 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.900 0.03 . 1 . . . . . . . . 6820 1 2 . 1 1 1 1 GLY HA3 H 1 3.900 0.03 . 1 . . . . . . . . 6820 1 3 . 1 1 1 1 GLY CA C 13 43.400 0.40 . 1 . . . . . . . . 6820 1 4 . 1 1 2 2 SER HA H 1 4.533 0.03 . 1 . . . . . . . . 6820 1 5 . 1 1 2 2 SER HB2 H 1 3.905 0.03 . 1 . . . . . . . . 6820 1 6 . 1 1 2 2 SER HB3 H 1 3.905 0.03 . 1 . . . . . . . . 6820 1 7 . 1 1 2 2 SER CA C 13 58.450 0.40 . 1 . . . . . . . . 6820 1 8 . 1 1 2 2 SER CB C 13 63.900 0.40 . 1 . . . . . . . . 6820 1 9 . 1 1 3 3 MET HA H 1 4.530 0.03 . 1 . . . . . . . . 6820 1 10 . 1 1 3 3 MET HB2 H 1 2.023 0.03 . 1 . . . . . . . . 6820 1 11 . 1 1 3 3 MET HB3 H 1 2.023 0.03 . 1 . . . . . . . . 6820 1 12 . 1 1 3 3 MET HG2 H 1 2.566 0.03 . 1 . . . . . . . . 6820 1 13 . 1 1 3 3 MET HG3 H 1 2.566 0.03 . 1 . . . . . . . . 6820 1 14 . 1 1 3 3 MET HE1 H 1 2.090 0.03 . 1 . . . . . . . . 6820 1 15 . 1 1 3 3 MET HE2 H 1 2.090 0.03 . 1 . . . . . . . . 6820 1 16 . 1 1 3 3 MET HE3 H 1 2.090 0.03 . 1 . . . . . . . . 6820 1 17 . 1 1 3 3 MET CA C 13 55.600 0.40 . 1 . . . . . . . . 6820 1 18 . 1 1 3 3 MET CB C 13 32.900 0.40 . 1 . . . . . . . . 6820 1 19 . 1 1 3 3 MET CG C 13 32.200 0.40 . 1 . . . . . . . . 6820 1 20 . 1 1 3 3 MET CE C 13 17.100 0.40 . 1 . . . . . . . . 6820 1 21 . 1 1 4 4 SER HA H 1 4.533 0.03 . 1 . . . . . . . . 6820 1 22 . 1 1 4 4 SER HB2 H 1 3.905 0.03 . 1 . . . . . . . . 6820 1 23 . 1 1 4 4 SER HB3 H 1 3.905 0.03 . 1 . . . . . . . . 6820 1 24 . 1 1 4 4 SER CA C 13 58.450 0.40 . 1 . . . . . . . . 6820 1 25 . 1 1 4 4 SER CB C 13 63.650 0.40 . 1 . . . . . . . . 6820 1 26 . 1 1 5 5 TYR H H 1 8.172 0.03 . 1 . . . . . . . . 6820 1 27 . 1 1 5 5 TYR HA H 1 4.530 0.03 . 1 . . . . . . . . 6820 1 28 . 1 1 5 5 TYR HB2 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 29 . 1 1 5 5 TYR HB3 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 30 . 1 1 5 5 TYR HD1 H 1 7.225 0.03 . 1 . . . . . . . . 6820 1 31 . 1 1 5 5 TYR HD2 H 1 7.225 0.03 . 1 . . . . . . . . 6820 1 32 . 1 1 5 5 TYR HE1 H 1 6.923 0.03 . 1 . . . . . . . . 6820 1 33 . 1 1 5 5 TYR HE2 H 1 6.923 0.03 . 1 . . . . . . . . 6820 1 34 . 1 1 5 5 TYR CA C 13 58.400 0.40 . 1 . . . . . . . . 6820 1 35 . 1 1 5 5 TYR CB C 13 38.700 0.40 . 1 . . . . . . . . 6820 1 36 . 1 1 5 5 TYR N N 15 122.600 0.20 . 1 . . . . . . . . 6820 1 37 . 1 1 6 6 LYS H H 1 8.040 0.03 . 1 . . . . . . . . 6820 1 38 . 1 1 6 6 LYS HA H 1 4.215 0.03 . 1 . . . . . . . . 6820 1 39 . 1 1 6 6 LYS HB2 H 1 1.714 0.03 . 1 . . . . . . . . 6820 1 40 . 1 1 6 6 LYS HB3 H 1 1.790 0.03 . 1 . . . . . . . . 6820 1 41 . 1 1 6 6 LYS HG2 H 1 1.354 0.03 . 1 . . . . . . . . 6820 1 42 . 1 1 6 6 LYS HG3 H 1 1.354 0.03 . 1 . . . . . . . . 6820 1 43 . 1 1 6 6 LYS HD2 H 1 1.640 0.03 . 1 . . . . . . . . 6820 1 44 . 1 1 6 6 LYS HD3 H 1 1.640 0.03 . 1 . . . . . . . . 6820 1 45 . 1 1 6 6 LYS HE2 H 1 2.980 0.03 . 1 . . . . . . . . 6820 1 46 . 1 1 6 6 LYS HE3 H 1 2.980 0.03 . 1 . . . . . . . . 6820 1 47 . 1 1 6 6 LYS CA C 13 56.311 0.40 . 1 . . . . . . . . 6820 1 48 . 1 1 6 6 LYS CB C 13 33.012 0.40 . 1 . . . . . . . . 6820 1 49 . 1 1 6 6 LYS CG C 13 24.693 0.40 . 1 . . . . . . . . 6820 1 50 . 1 1 6 6 LYS CD C 13 29.060 0.40 . 1 . . . . . . . . 6820 1 51 . 1 1 6 6 LYS CE C 13 41.900 0.40 . 1 . . . . . . . . 6820 1 52 . 1 1 6 6 LYS N N 15 123.034 0.20 . 1 . . . . . . . . 6820 1 53 . 1 1 7 7 ALA H H 1 8.176 0.03 . 1 . . . . . . . . 6820 1 54 . 1 1 7 7 ALA HA H 1 4.210 0.03 . 1 . . . . . . . . 6820 1 55 . 1 1 7 7 ALA HB1 H 1 1.425 0.03 . 1 . . . . . . . . 6820 1 56 . 1 1 7 7 ALA HB2 H 1 1.425 0.03 . 1 . . . . . . . . 6820 1 57 . 1 1 7 7 ALA HB3 H 1 1.425 0.03 . 1 . . . . . . . . 6820 1 58 . 1 1 7 7 ALA CA C 13 52.944 0.40 . 1 . . . . . . . . 6820 1 59 . 1 1 7 7 ALA CB C 13 19.050 0.40 . 1 . . . . . . . . 6820 1 60 . 1 1 7 7 ALA N N 15 124.572 0.20 . 1 . . . . . . . . 6820 1 61 . 1 1 8 8 LYS H H 1 8.260 0.03 . 1 . . . . . . . . 6820 1 62 . 1 1 8 8 LYS N N 15 119.916 0.20 . 1 . . . . . . . . 6820 1 63 . 1 1 9 9 THR H H 1 8.075 0.03 . 1 . . . . . . . . 6820 1 64 . 1 1 9 9 THR HA H 1 4.310 0.03 . 1 . . . . . . . . 6820 1 65 . 1 1 9 9 THR HB H 1 4.203 0.03 . 1 . . . . . . . . 6820 1 66 . 1 1 9 9 THR HG21 H 1 1.213 0.03 . 1 . . . . . . . . 6820 1 67 . 1 1 9 9 THR HG22 H 1 1.213 0.03 . 1 . . . . . . . . 6820 1 68 . 1 1 9 9 THR HG23 H 1 1.213 0.03 . 1 . . . . . . . . 6820 1 69 . 1 1 9 9 THR CA C 13 62.500 0.40 . 1 . . . . . . . . 6820 1 70 . 1 1 9 9 THR CB C 13 69.700 0.40 . 1 . . . . . . . . 6820 1 71 . 1 1 9 9 THR CG2 C 13 21.650 0.40 . 1 . . . . . . . . 6820 1 72 . 1 1 9 9 THR N N 15 115.740 0.20 . 1 . . . . . . . . 6820 1 73 . 1 1 10 10 VAL H H 1 8.130 0.03 . 1 . . . . . . . . 6820 1 74 . 1 1 10 10 VAL HA H 1 4.140 0.03 . 1 . . . . . . . . 6820 1 75 . 1 1 10 10 VAL HB H 1 2.126 0.03 . 1 . . . . . . . . 6820 1 76 . 1 1 10 10 VAL HG11 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 77 . 1 1 10 10 VAL HG12 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 78 . 1 1 10 10 VAL HG13 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 79 . 1 1 10 10 VAL CA C 13 62.920 0.40 . 1 . . . . . . . . 6820 1 80 . 1 1 10 10 VAL CB C 13 32.600 0.40 . 1 . . . . . . . . 6820 1 81 . 1 1 10 10 VAL CG1 C 13 21.200 0.40 . 1 . . . . . . . . 6820 1 82 . 1 1 10 10 VAL N N 15 122.930 0.20 . 1 . . . . . . . . 6820 1 83 . 1 1 11 11 VAL H H 1 8.170 0.03 . 1 . . . . . . . . 6820 1 84 . 1 1 11 11 VAL HA H 1 4.200 0.03 . 1 . . . . . . . . 6820 1 85 . 1 1 11 11 VAL HB H 1 2.126 0.03 . 1 . . . . . . . . 6820 1 86 . 1 1 11 11 VAL HG11 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 87 . 1 1 11 11 VAL HG12 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 88 . 1 1 11 11 VAL HG13 H 1 0.970 0.03 . 1 . . . . . . . . 6820 1 89 . 1 1 11 11 VAL CA C 13 62.900 0.40 . 1 . . . . . . . . 6820 1 90 . 1 1 11 11 VAL CB C 13 32.850 0.40 . 1 . . . . . . . . 6820 1 91 . 1 1 11 11 VAL CG1 C 13 21.000 0.40 . 1 . . . . . . . . 6820 1 92 . 1 1 11 11 VAL N N 15 122.930 0.20 . 1 . . . . . . . . 6820 1 93 . 1 1 12 12 SER H H 1 8.311 0.03 . 1 . . . . . . . . 6820 1 94 . 1 1 12 12 SER HA H 1 4.425 0.03 . 1 . . . . . . . . 6820 1 95 . 1 1 12 12 SER HB2 H 1 3.840 0.03 . 1 . . . . . . . . 6820 1 96 . 1 1 12 12 SER HB3 H 1 3.840 0.03 . 1 . . . . . . . . 6820 1 97 . 1 1 12 12 SER CA C 13 58.550 0.40 . 1 . . . . . . . . 6820 1 98 . 1 1 12 12 SER CB C 13 63.620 0.40 . 1 . . . . . . . . 6820 1 99 . 1 1 12 12 SER N N 15 119.025 0.20 . 1 . . . . . . . . 6820 1 100 . 1 1 13 13 ALA H H 1 8.255 0.03 . 1 . . . . . . . . 6820 1 101 . 1 1 13 13 ALA HA H 1 4.365 0.03 . 1 . . . . . . . . 6820 1 102 . 1 1 13 13 ALA HB1 H 1 1.435 0.03 . 1 . . . . . . . . 6820 1 103 . 1 1 13 13 ALA HB2 H 1 1.435 0.03 . 1 . . . . . . . . 6820 1 104 . 1 1 13 13 ALA HB3 H 1 1.435 0.03 . 1 . . . . . . . . 6820 1 105 . 1 1 13 13 ALA C C 13 177.590 0.40 . 1 . . . . . . . . 6820 1 106 . 1 1 13 13 ALA CA C 13 52.900 0.40 . 1 . . . . . . . . 6820 1 107 . 1 1 13 13 ALA CB C 13 19.200 0.40 . 1 . . . . . . . . 6820 1 108 . 1 1 13 13 ALA N N 15 126.034 0.20 . 1 . . . . . . . . 6820 1 109 . 1 1 14 14 ARG H H 1 8.210 0.03 . 1 . . . . . . . . 6820 1 110 . 1 1 14 14 ARG HA H 1 4.345 0.03 . 1 . . . . . . . . 6820 1 111 . 1 1 14 14 ARG HB2 H 1 1.804 0.03 . 1 . . . . . . . . 6820 1 112 . 1 1 14 14 ARG HB3 H 1 1.904 0.03 . 1 . . . . . . . . 6820 1 113 . 1 1 14 14 ARG HG2 H 1 1.655 0.03 . 1 . . . . . . . . 6820 1 114 . 1 1 14 14 ARG HG3 H 1 1.655 0.03 . 1 . . . . . . . . 6820 1 115 . 1 1 14 14 ARG HD2 H 1 3.246 0.03 . 1 . . . . . . . . 6820 1 116 . 1 1 14 14 ARG HD3 H 1 3.246 0.03 . 1 . . . . . . . . 6820 1 117 . 1 1 14 14 ARG CA C 13 56.321 0.40 . 1 . . . . . . . . 6820 1 118 . 1 1 14 14 ARG CB C 13 30.695 0.40 . 1 . . . . . . . . 6820 1 119 . 1 1 14 14 ARG CG C 13 27.111 0.40 . 1 . . . . . . . . 6820 1 120 . 1 1 14 14 ARG CD C 13 43.326 0.40 . 1 . . . . . . . . 6820 1 121 . 1 1 14 14 ARG N N 15 119.711 0.20 . 1 . . . . . . . . 6820 1 122 . 1 1 15 15 ARG H H 1 8.390 0.03 . 1 . . . . . . . . 6820 1 123 . 1 1 15 15 ARG HA H 1 4.344 0.03 . 1 . . . . . . . . 6820 1 124 . 1 1 15 15 ARG HB2 H 1 1.820 0.03 . 1 . . . . . . . . 6820 1 125 . 1 1 15 15 ARG HB3 H 1 1.900 0.03 . 1 . . . . . . . . 6820 1 126 . 1 1 15 15 ARG HG2 H 1 1.655 0.03 . 1 . . . . . . . . 6820 1 127 . 1 1 15 15 ARG HG3 H 1 1.655 0.03 . 1 . . . . . . . . 6820 1 128 . 1 1 15 15 ARG HD2 H 1 3.230 0.03 . 1 . . . . . . . . 6820 1 129 . 1 1 15 15 ARG HD3 H 1 3.230 0.03 . 1 . . . . . . . . 6820 1 130 . 1 1 15 15 ARG C C 13 176.040 0.40 . 1 . . . . . . . . 6820 1 131 . 1 1 15 15 ARG CA C 13 56.500 0.40 . 1 . . . . . . . . 6820 1 132 . 1 1 15 15 ARG CB C 13 30.770 0.40 . 1 . . . . . . . . 6820 1 133 . 1 1 15 15 ARG CG C 13 27.024 0.40 . 1 . . . . . . . . 6820 1 134 . 1 1 15 15 ARG CD C 13 43.383 0.40 . 1 . . . . . . . . 6820 1 135 . 1 1 15 15 ARG N N 15 122.000 0.20 . 1 . . . . . . . . 6820 1 136 . 1 1 16 16 ASP H H 1 8.360 0.03 . 1 . . . . . . . . 6820 1 137 . 1 1 16 16 ASP HA H 1 4.620 0.03 . 1 . . . . . . . . 6820 1 138 . 1 1 16 16 ASP HB2 H 1 2.710 0.03 . 1 . . . . . . . . 6820 1 139 . 1 1 16 16 ASP HB3 H 1 2.710 0.03 . 1 . . . . . . . . 6820 1 140 . 1 1 16 16 ASP C C 13 176.220 0.40 . 1 . . . . . . . . 6820 1 141 . 1 1 16 16 ASP CA C 13 54.320 0.40 . 1 . . . . . . . . 6820 1 142 . 1 1 16 16 ASP CB C 13 41.027 0.40 . 1 . . . . . . . . 6820 1 143 . 1 1 16 16 ASP N N 15 120.870 0.20 . 1 . . . . . . . . 6820 1 144 . 1 1 17 17 GLN H H 1 8.250 0.03 . 1 . . . . . . . . 6820 1 145 . 1 1 17 17 GLN HA H 1 4.330 0.03 . 1 . . . . . . . . 6820 1 146 . 1 1 17 17 GLN HB2 H 1 2.020 0.03 . 1 . . . . . . . . 6820 1 147 . 1 1 17 17 GLN HB3 H 1 2.185 0.03 . 1 . . . . . . . . 6820 1 148 . 1 1 17 17 GLN HG2 H 1 2.400 0.03 . 1 . . . . . . . . 6820 1 149 . 1 1 17 17 GLN HG3 H 1 2.400 0.03 . 1 . . . . . . . . 6820 1 150 . 1 1 17 17 GLN HE21 H 1 6.870 0.03 . 1 . . . . . . . . 6820 1 151 . 1 1 17 17 GLN HE22 H 1 7.540 0.03 . 1 . . . . . . . . 6820 1 152 . 1 1 17 17 GLN C C 13 176.080 0.40 . 1 . . . . . . . . 6820 1 153 . 1 1 17 17 GLN CA C 13 56.200 0.40 . 1 . . . . . . . . 6820 1 154 . 1 1 17 17 GLN CB C 13 29.270 0.40 . 1 . . . . . . . . 6820 1 155 . 1 1 17 17 GLN CG C 13 33.780 0.40 . 1 . . . . . . . . 6820 1 156 . 1 1 17 17 GLN N N 15 120.654 0.20 . 1 . . . . . . . . 6820 1 157 . 1 1 17 17 GLN NE2 N 15 112.300 0.20 . 1 . . . . . . . . 6820 1 158 . 1 1 18 18 LYS H H 1 8.345 0.03 . 1 . . . . . . . . 6820 1 159 . 1 1 18 18 LYS HA H 1 4.320 0.03 . 1 . . . . . . . . 6820 1 160 . 1 1 18 18 LYS HB2 H 1 1.850 0.03 . 1 . . . . . . . . 6820 1 161 . 1 1 18 18 LYS HB3 H 1 1.850 0.03 . 1 . . . . . . . . 6820 1 162 . 1 1 18 18 LYS HG2 H 1 1.470 0.03 . 1 . . . . . . . . 6820 1 163 . 1 1 18 18 LYS HG3 H 1 1.470 0.03 . 1 . . . . . . . . 6820 1 164 . 1 1 18 18 LYS HD2 H 1 1.720 0.03 . 1 . . . . . . . . 6820 1 165 . 1 1 18 18 LYS HD3 H 1 1.720 0.03 . 1 . . . . . . . . 6820 1 166 . 1 1 18 18 LYS HE2 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 167 . 1 1 18 18 LYS HE3 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 168 . 1 1 18 18 LYS C C 13 176.650 0.40 . 1 . . . . . . . . 6820 1 169 . 1 1 18 18 LYS CA C 13 56.600 0.40 . 1 . . . . . . . . 6820 1 170 . 1 1 18 18 LYS CB C 13 32.749 0.40 . 1 . . . . . . . . 6820 1 171 . 1 1 18 18 LYS CG C 13 24.881 0.40 . 1 . . . . . . . . 6820 1 172 . 1 1 18 18 LYS CD C 13 29.100 0.40 . 1 . . . . . . . . 6820 1 173 . 1 1 18 18 LYS CE C 13 42.197 0.40 . 1 . . . . . . . . 6820 1 174 . 1 1 18 18 LYS N N 15 122.000 0.20 . 1 . . . . . . . . 6820 1 175 . 1 1 19 19 LYS H H 1 8.275 0.03 . 1 . . . . . . . . 6820 1 176 . 1 1 19 19 LYS HA H 1 4.340 0.03 . 1 . . . . . . . . 6820 1 177 . 1 1 19 19 LYS HB2 H 1 1.810 0.03 . 1 . . . . . . . . 6820 1 178 . 1 1 19 19 LYS HB3 H 1 1.880 0.03 . 1 . . . . . . . . 6820 1 179 . 1 1 19 19 LYS HG2 H 1 1.480 0.03 . 1 . . . . . . . . 6820 1 180 . 1 1 19 19 LYS HG3 H 1 1.480 0.03 . 1 . . . . . . . . 6820 1 181 . 1 1 19 19 LYS HD2 H 1 1.740 0.03 . 1 . . . . . . . . 6820 1 182 . 1 1 19 19 LYS HD3 H 1 1.740 0.03 . 1 . . . . . . . . 6820 1 183 . 1 1 19 19 LYS HE2 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 184 . 1 1 19 19 LYS HE3 H 1 3.030 0.03 . 1 . . . . . . . . 6820 1 185 . 1 1 19 19 LYS C C 13 177.010 0.40 . 1 . . . . . . . . 6820 1 186 . 1 1 19 19 LYS CA C 13 56.554 0.40 . 1 . . . . . . . . 6820 1 187 . 1 1 19 19 LYS CB C 13 32.900 0.40 . 1 . . . . . . . . 6820 1 188 . 1 1 19 19 LYS CG C 13 24.739 0.40 . 1 . . . . . . . . 6820 1 189 . 1 1 19 19 LYS CD C 13 29.117 0.40 . 1 . . . . . . . . 6820 1 190 . 1 1 19 19 LYS CE C 13 42.214 0.40 . 1 . . . . . . . . 6820 1 191 . 1 1 19 19 LYS N N 15 121.700 0.20 . 1 . . . . . . . . 6820 1 192 . 1 1 20 20 GLY H H 1 8.390 0.03 . 1 . . . . . . . . 6820 1 193 . 1 1 20 20 GLY HA2 H 1 3.985 0.03 . 1 . . . . . . . . 6820 1 194 . 1 1 20 20 GLY HA3 H 1 3.985 0.03 . 1 . . . . . . . . 6820 1 195 . 1 1 20 20 GLY C C 13 173.840 0.40 . 1 . . . . . . . . 6820 1 196 . 1 1 20 20 GLY CA C 13 45.194 0.40 . 1 . . . . . . . . 6820 1 197 . 1 1 20 20 GLY N N 15 110.100 0.20 . 1 . . . . . . . . 6820 1 198 . 1 1 21 21 ARG H H 1 8.210 0.03 . 1 . . . . . . . . 6820 1 199 . 1 1 21 21 ARG HA H 1 4.398 0.03 . 1 . . . . . . . . 6820 1 200 . 1 1 21 21 ARG HB2 H 1 1.820 0.03 . 1 . . . . . . . . 6820 1 201 . 1 1 21 21 ARG HB3 H 1 1.900 0.03 . 1 . . . . . . . . 6820 1 202 . 1 1 21 21 ARG HG2 H 1 1.650 0.03 . 1 . . . . . . . . 6820 1 203 . 1 1 21 21 ARG HG3 H 1 1.650 0.03 . 1 . . . . . . . . 6820 1 204 . 1 1 21 21 ARG HD2 H 1 3.220 0.03 . 1 . . . . . . . . 6820 1 205 . 1 1 21 21 ARG HD3 H 1 3.220 0.03 . 1 . . . . . . . . 6820 1 206 . 1 1 21 21 ARG C C 13 176.390 0.40 . 1 . . . . . . . . 6820 1 207 . 1 1 21 21 ARG CA C 13 56.090 0.40 . 1 . . . . . . . . 6820 1 208 . 1 1 21 21 ARG CB C 13 30.943 0.40 . 1 . . . . . . . . 6820 1 209 . 1 1 21 21 ARG CG C 13 26.999 0.40 . 1 . . . . . . . . 6820 1 210 . 1 1 21 21 ARG CD C 13 43.260 0.40 . 1 . . . . . . . . 6820 1 211 . 1 1 21 21 ARG N N 15 121.000 0.20 . 1 . . . . . . . . 6820 1 212 . 1 1 22 22 VAL H H 1 8.210 0.03 . 1 . . . . . . . . 6820 1 213 . 1 1 22 22 VAL HA H 1 4.185 0.03 . 1 . . . . . . . . 6820 1 214 . 1 1 22 22 VAL HB H 1 2.130 0.03 . 1 . . . . . . . . 6820 1 215 . 1 1 22 22 VAL HG11 H 1 0.981 0.03 . 1 . . . . . . . . 6820 1 216 . 1 1 22 22 VAL HG12 H 1 0.981 0.03 . 1 . . . . . . . . 6820 1 217 . 1 1 22 22 VAL HG13 H 1 0.981 0.03 . 1 . . . . . . . . 6820 1 218 . 1 1 22 22 VAL C C 13 176.320 0.40 . 1 . . . . . . . . 6820 1 219 . 1 1 22 22 VAL CA C 13 62.260 0.40 . 1 . . . . . . . . 6820 1 220 . 1 1 22 22 VAL CB C 13 32.850 0.40 . 1 . . . . . . . . 6820 1 221 . 1 1 22 22 VAL CG1 C 13 20.750 0.40 . 1 . . . . . . . . 6820 1 222 . 1 1 22 22 VAL CG2 C 13 20.750 0.40 . 1 . . . . . . . . 6820 1 223 . 1 1 22 22 VAL N N 15 121.291 0.20 . 1 . . . . . . . . 6820 1 224 . 1 1 23 23 GLY H H 1 8.390 0.03 . 1 . . . . . . . . 6820 1 225 . 1 1 23 23 GLY HA2 H 1 3.930 0.03 . 1 . . . . . . . . 6820 1 226 . 1 1 23 23 GLY HA3 H 1 4.030 0.03 . 1 . . . . . . . . 6820 1 227 . 1 1 23 23 GLY C C 13 173.530 0.40 . 1 . . . . . . . . 6820 1 228 . 1 1 23 23 GLY CA C 13 44.900 0.40 . 1 . . . . . . . . 6820 1 229 . 1 1 23 23 GLY N N 15 112.242 0.20 . 1 . . . . . . . . 6820 1 230 . 1 1 24 24 LEU H H 1 8.070 0.03 . 1 . . . . . . . . 6820 1 231 . 1 1 24 24 LEU HA H 1 4.654 0.03 . 1 . . . . . . . . 6820 1 232 . 1 1 24 24 LEU HB2 H 1 1.600 0.03 . 1 . . . . . . . . 6820 1 233 . 1 1 24 24 LEU HB3 H 1 1.600 0.03 . 1 . . . . . . . . 6820 1 234 . 1 1 24 24 LEU HG H 1 1.723 0.03 . 1 . . . . . . . . 6820 1 235 . 1 1 24 24 LEU HD11 H 1 0.858 0.03 . 1 . . . . . . . . 6820 1 236 . 1 1 24 24 LEU HD12 H 1 0.858 0.03 . 1 . . . . . . . . 6820 1 237 . 1 1 24 24 LEU HD13 H 1 0.858 0.03 . 1 . . . . . . . . 6820 1 238 . 1 1 24 24 LEU HD21 H 1 0.836 0.03 . 1 . . . . . . . . 6820 1 239 . 1 1 24 24 LEU HD22 H 1 0.836 0.03 . 1 . . . . . . . . 6820 1 240 . 1 1 24 24 LEU HD23 H 1 0.836 0.03 . 1 . . . . . . . . 6820 1 241 . 1 1 24 24 LEU C C 13 178.142 0.40 . 1 . . . . . . . . 6820 1 242 . 1 1 24 24 LEU CA C 13 54.600 0.40 . 1 . . . . . . . . 6820 1 243 . 1 1 24 24 LEU CB C 13 43.867 0.40 . 1 . . . . . . . . 6820 1 244 . 1 1 24 24 LEU CG C 13 27.100 0.40 . 1 . . . . . . . . 6820 1 245 . 1 1 24 24 LEU CD1 C 13 26.200 0.40 . 1 . . . . . . . . 6820 1 246 . 1 1 24 24 LEU CD2 C 13 24.120 0.40 . 1 . . . . . . . . 6820 1 247 . 1 1 24 24 LEU N N 15 121.680 0.20 . 1 . . . . . . . . 6820 1 248 . 1 1 25 25 THR H H 1 8.720 0.03 . 1 . . . . . . . . 6820 1 249 . 1 1 25 25 THR HA H 1 4.550 0.03 . 1 . . . . . . . . 6820 1 250 . 1 1 25 25 THR HB H 1 4.810 0.03 . 1 . . . . . . . . 6820 1 251 . 1 1 25 25 THR HG21 H 1 1.370 0.03 . 1 . . . . . . . . 6820 1 252 . 1 1 25 25 THR HG22 H 1 1.370 0.03 . 1 . . . . . . . . 6820 1 253 . 1 1 25 25 THR HG23 H 1 1.370 0.03 . 1 . . . . . . . . 6820 1 254 . 1 1 25 25 THR C C 13 175.690 0.40 . 1 . . . . . . . . 6820 1 255 . 1 1 25 25 THR CA C 13 60.600 0.40 . 1 . . . . . . . . 6820 1 256 . 1 1 25 25 THR CB C 13 71.100 0.40 . 1 . . . . . . . . 6820 1 257 . 1 1 25 25 THR CG2 C 13 21.800 0.40 . 1 . . . . . . . . 6820 1 258 . 1 1 25 25 THR N N 15 114.500 0.20 . 1 . . . . . . . . 6820 1 259 . 1 1 26 26 GLU H H 1 9.060 0.03 . 1 . . . . . . . . 6820 1 260 . 1 1 26 26 GLU HA H 1 4.060 0.03 . 1 . . . . . . . . 6820 1 261 . 1 1 26 26 GLU HB2 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 262 . 1 1 26 26 GLU HB3 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 263 . 1 1 26 26 GLU HG2 H 1 2.430 0.03 . 1 . . . . . . . . 6820 1 264 . 1 1 26 26 GLU HG3 H 1 2.430 0.03 . 1 . . . . . . . . 6820 1 265 . 1 1 26 26 GLU C C 13 179.300 0.40 . 1 . . . . . . . . 6820 1 266 . 1 1 26 26 GLU CA C 13 59.650 0.40 . 1 . . . . . . . . 6820 1 267 . 1 1 26 26 GLU CB C 13 28.892 0.40 . 1 . . . . . . . . 6820 1 268 . 1 1 26 26 GLU CG C 13 36.500 0.40 . 1 . . . . . . . . 6820 1 269 . 1 1 26 26 GLU N N 15 121.210 0.20 . 1 . . . . . . . . 6820 1 270 . 1 1 27 27 GLU H H 1 8.830 0.03 . 1 . . . . . . . . 6820 1 271 . 1 1 27 27 GLU HA H 1 4.110 0.03 . 1 . . . . . . . . 6820 1 272 . 1 1 27 27 GLU HB2 H 1 2.020 0.03 . 1 . . . . . . . . 6820 1 273 . 1 1 27 27 GLU HB3 H 1 2.113 0.03 . 1 . . . . . . . . 6820 1 274 . 1 1 27 27 GLU HG2 H 1 2.362 0.03 . 1 . . . . . . . . 6820 1 275 . 1 1 27 27 GLU HG3 H 1 2.439 0.03 . 1 . . . . . . . . 6820 1 276 . 1 1 27 27 GLU C C 13 179.455 0.40 . 1 . . . . . . . . 6820 1 277 . 1 1 27 27 GLU CA C 13 60.100 0.40 . 1 . . . . . . . . 6820 1 278 . 1 1 27 27 GLU CB C 13 29.100 0.40 . 1 . . . . . . . . 6820 1 279 . 1 1 27 27 GLU CG C 13 37.043 0.40 . 1 . . . . . . . . 6820 1 280 . 1 1 27 27 GLU N N 15 119.400 0.20 . 1 . . . . . . . . 6820 1 281 . 1 1 28 28 GLN H H 1 7.850 0.03 . 1 . . . . . . . . 6820 1 282 . 1 1 28 28 GLN HA H 1 4.185 0.03 . 1 . . . . . . . . 6820 1 283 . 1 1 28 28 GLN HB2 H 1 1.970 0.03 . 1 . . . . . . . . 6820 1 284 . 1 1 28 28 GLN HB3 H 1 2.420 0.03 . 1 . . . . . . . . 6820 1 285 . 1 1 28 28 GLN HG2 H 1 2.486 0.03 . 1 . . . . . . . . 6820 1 286 . 1 1 28 28 GLN HG3 H 1 2.486 0.03 . 1 . . . . . . . . 6820 1 287 . 1 1 28 28 GLN HE21 H 1 6.780 0.03 . 1 . . . . . . . . 6820 1 288 . 1 1 28 28 GLN HE22 H 1 7.600 0.03 . 1 . . . . . . . . 6820 1 289 . 1 1 28 28 GLN C C 13 179.160 0.40 . 1 . . . . . . . . 6820 1 290 . 1 1 28 28 GLN CA C 13 58.630 0.40 . 1 . . . . . . . . 6820 1 291 . 1 1 28 28 GLN CB C 13 29.420 0.40 . 1 . . . . . . . . 6820 1 292 . 1 1 28 28 GLN CG C 13 34.803 0.40 . 1 . . . . . . . . 6820 1 293 . 1 1 28 28 GLN N N 15 120.060 0.20 . 1 . . . . . . . . 6820 1 294 . 1 1 28 28 GLN NE2 N 15 111.000 0.20 . 1 . . . . . . . . 6820 1 295 . 1 1 29 29 LYS H H 1 8.430 0.03 . 1 . . . . . . . . 6820 1 296 . 1 1 29 29 LYS HA H 1 3.900 0.03 . 1 . . . . . . . . 6820 1 297 . 1 1 29 29 LYS HB2 H 1 2.020 0.03 . 1 . . . . . . . . 6820 1 298 . 1 1 29 29 LYS HB3 H 1 2.020 0.03 . 1 . . . . . . . . 6820 1 299 . 1 1 29 29 LYS HG2 H 1 1.679 0.03 . 1 . . . . . . . . 6820 1 300 . 1 1 29 29 LYS HG3 H 1 1.447 0.03 . 1 . . . . . . . . 6820 1 301 . 1 1 29 29 LYS HD2 H 1 1.782 0.03 . 1 . . . . . . . . 6820 1 302 . 1 1 29 29 LYS HD3 H 1 1.782 0.03 . 1 . . . . . . . . 6820 1 303 . 1 1 29 29 LYS HE2 H 1 2.950 0.03 . 1 . . . . . . . . 6820 1 304 . 1 1 29 29 LYS HE3 H 1 2.950 0.03 . 1 . . . . . . . . 6820 1 305 . 1 1 29 29 LYS C C 13 178.650 0.40 . 1 . . . . . . . . 6820 1 306 . 1 1 29 29 LYS CA C 13 60.850 0.40 . 1 . . . . . . . . 6820 1 307 . 1 1 29 29 LYS CB C 13 32.249 0.40 . 1 . . . . . . . . 6820 1 308 . 1 1 29 29 LYS CG C 13 26.480 0.40 . 1 . . . . . . . . 6820 1 309 . 1 1 29 29 LYS CD C 13 29.700 0.40 . 1 . . . . . . . . 6820 1 310 . 1 1 29 29 LYS CE C 13 42.002 0.40 . 1 . . . . . . . . 6820 1 311 . 1 1 29 29 LYS N N 15 119.470 0.20 . 1 . . . . . . . . 6820 1 312 . 1 1 30 30 GLN H H 1 8.175 0.03 . 1 . . . . . . . . 6820 1 313 . 1 1 30 30 GLN HA H 1 4.130 0.03 . 1 . . . . . . . . 6820 1 314 . 1 1 30 30 GLN HB2 H 1 2.220 0.03 . 1 . . . . . . . . 6820 1 315 . 1 1 30 30 GLN HB3 H 1 2.270 0.03 . 1 . . . . . . . . 6820 1 316 . 1 1 30 30 GLN HG2 H 1 2.501 0.03 . 1 . . . . . . . . 6820 1 317 . 1 1 30 30 GLN HG3 H 1 2.501 0.03 . 1 . . . . . . . . 6820 1 318 . 1 1 30 30 GLN HE21 H 1 6.840 0.03 . 1 . . . . . . . . 6820 1 319 . 1 1 30 30 GLN HE22 H 1 7.790 0.03 . 1 . . . . . . . . 6820 1 320 . 1 1 30 30 GLN C C 13 178.190 0.40 . 1 . . . . . . . . 6820 1 321 . 1 1 30 30 GLN CA C 13 58.600 0.40 . 1 . . . . . . . . 6820 1 322 . 1 1 30 30 GLN CB C 13 27.650 0.40 . 1 . . . . . . . . 6820 1 323 . 1 1 30 30 GLN CG C 13 33.218 0.40 . 1 . . . . . . . . 6820 1 324 . 1 1 30 30 GLN N N 15 119.200 0.20 . 1 . . . . . . . . 6820 1 325 . 1 1 30 30 GLN NE2 N 15 112.324 0.20 . 1 . . . . . . . . 6820 1 326 . 1 1 31 31 GLU H H 1 7.890 0.03 . 1 . . . . . . . . 6820 1 327 . 1 1 31 31 GLU HA H 1 4.160 0.03 . 1 . . . . . . . . 6820 1 328 . 1 1 31 31 GLU HB2 H 1 2.180 0.03 . 1 . . . . . . . . 6820 1 329 . 1 1 31 31 GLU HB3 H 1 2.320 0.03 . 1 . . . . . . . . 6820 1 330 . 1 1 31 31 GLU HG2 H 1 2.350 0.03 . 1 . . . . . . . . 6820 1 331 . 1 1 31 31 GLU HG3 H 1 2.560 0.03 . 1 . . . . . . . . 6820 1 332 . 1 1 31 31 GLU C C 13 179.925 0.40 . 1 . . . . . . . . 6820 1 333 . 1 1 31 31 GLU CA C 13 59.600 0.40 . 1 . . . . . . . . 6820 1 334 . 1 1 31 31 GLU CB C 13 29.600 0.40 . 1 . . . . . . . . 6820 1 335 . 1 1 31 31 GLU CG C 13 36.529 0.40 . 1 . . . . . . . . 6820 1 336 . 1 1 31 31 GLU N N 15 120.270 0.20 . 1 . . . . . . . . 6820 1 337 . 1 1 32 32 ILE H H 1 8.080 0.03 . 1 . . . . . . . . 6820 1 338 . 1 1 32 32 ILE HA H 1 3.990 0.03 . 1 . . . . . . . . 6820 1 339 . 1 1 32 32 ILE HB H 1 2.170 0.03 . 1 . . . . . . . . 6820 1 340 . 1 1 32 32 ILE HG12 H 1 1.088 0.03 . 1 . . . . . . . . 6820 1 341 . 1 1 32 32 ILE HG13 H 1 1.980 0.03 . 1 . . . . . . . . 6820 1 342 . 1 1 32 32 ILE HG21 H 1 1.237 0.03 . 1 . . . . . . . . 6820 1 343 . 1 1 32 32 ILE HG22 H 1 1.237 0.03 . 1 . . . . . . . . 6820 1 344 . 1 1 32 32 ILE HG23 H 1 1.237 0.03 . 1 . . . . . . . . 6820 1 345 . 1 1 32 32 ILE HD11 H 1 0.797 0.03 . 1 . . . . . . . . 6820 1 346 . 1 1 32 32 ILE HD12 H 1 0.797 0.03 . 1 . . . . . . . . 6820 1 347 . 1 1 32 32 ILE HD13 H 1 0.797 0.03 . 1 . . . . . . . . 6820 1 348 . 1 1 32 32 ILE C C 13 178.020 0.40 . 1 . . . . . . . . 6820 1 349 . 1 1 32 32 ILE CA C 13 65.300 0.40 . 1 . . . . . . . . 6820 1 350 . 1 1 32 32 ILE CB C 13 37.700 0.40 . 1 . . . . . . . . 6820 1 351 . 1 1 32 32 ILE CG1 C 13 29.998 0.40 . 1 . . . . . . . . 6820 1 352 . 1 1 32 32 ILE CG2 C 13 19.060 0.40 . 1 . . . . . . . . 6820 1 353 . 1 1 32 32 ILE CD1 C 13 13.850 0.40 . 1 . . . . . . . . 6820 1 354 . 1 1 32 32 ILE N N 15 121.100 0.20 . 1 . . . . . . . . 6820 1 355 . 1 1 33 33 ARG H H 1 8.570 0.03 . 1 . . . . . . . . 6820 1 356 . 1 1 33 33 ARG HA H 1 4.185 0.03 . 1 . . . . . . . . 6820 1 357 . 1 1 33 33 ARG HB2 H 1 1.707 0.03 . 1 . . . . . . . . 6820 1 358 . 1 1 33 33 ARG HB3 H 1 2.082 0.03 . 1 . . . . . . . . 6820 1 359 . 1 1 33 33 ARG HG2 H 1 1.600 0.03 . 1 . . . . . . . . 6820 1 360 . 1 1 33 33 ARG HG3 H 1 1.400 0.03 . 1 . . . . . . . . 6820 1 361 . 1 1 33 33 ARG HD2 H 1 2.600 0.03 . 1 . . . . . . . . 6820 1 362 . 1 1 33 33 ARG HD3 H 1 2.530 0.03 . 1 . . . . . . . . 6820 1 363 . 1 1 33 33 ARG C C 13 177.520 0.40 . 1 . . . . . . . . 6820 1 364 . 1 1 33 33 ARG CA C 13 58.600 0.40 . 1 . . . . . . . . 6820 1 365 . 1 1 33 33 ARG CB C 13 28.865 0.40 . 1 . . . . . . . . 6820 1 366 . 1 1 33 33 ARG CG C 13 25.685 0.40 . 1 . . . . . . . . 6820 1 367 . 1 1 33 33 ARG CD C 13 42.032 0.40 . 1 . . . . . . . . 6820 1 368 . 1 1 33 33 ARG N N 15 122.690 0.20 . 1 . . . . . . . . 6820 1 369 . 1 1 34 34 GLU H H 1 8.230 0.03 . 1 . . . . . . . . 6820 1 370 . 1 1 34 34 GLU HA H 1 4.120 0.03 . 1 . . . . . . . . 6820 1 371 . 1 1 34 34 GLU HB2 H 1 2.080 0.03 . 1 . . . . . . . . 6820 1 372 . 1 1 34 34 GLU HB3 H 1 2.210 0.03 . 1 . . . . . . . . 6820 1 373 . 1 1 34 34 GLU HG2 H 1 2.310 0.03 . 1 . . . . . . . . 6820 1 374 . 1 1 34 34 GLU HG3 H 1 2.560 0.03 . 1 . . . . . . . . 6820 1 375 . 1 1 34 34 GLU C C 13 179.430 0.40 . 1 . . . . . . . . 6820 1 376 . 1 1 34 34 GLU CA C 13 59.400 0.40 . 1 . . . . . . . . 6820 1 377 . 1 1 34 34 GLU CB C 13 29.200 0.40 . 1 . . . . . . . . 6820 1 378 . 1 1 34 34 GLU CG C 13 36.670 0.40 . 1 . . . . . . . . 6820 1 379 . 1 1 34 34 GLU N N 15 118.585 0.20 . 1 . . . . . . . . 6820 1 380 . 1 1 35 35 ALA H H 1 7.662 0.03 . 1 . . . . . . . . 6820 1 381 . 1 1 35 35 ALA HA H 1 3.981 0.03 . 1 . . . . . . . . 6820 1 382 . 1 1 35 35 ALA HB1 H 1 1.700 0.03 . 1 . . . . . . . . 6820 1 383 . 1 1 35 35 ALA HB2 H 1 1.700 0.03 . 1 . . . . . . . . 6820 1 384 . 1 1 35 35 ALA HB3 H 1 1.700 0.03 . 1 . . . . . . . . 6820 1 385 . 1 1 35 35 ALA C C 13 177.469 0.40 . 1 . . . . . . . . 6820 1 386 . 1 1 35 35 ALA CA C 13 54.959 0.40 . 1 . . . . . . . . 6820 1 387 . 1 1 35 35 ALA CB C 13 17.500 0.40 . 1 . . . . . . . . 6820 1 388 . 1 1 35 35 ALA N N 15 121.820 0.20 . 1 . . . . . . . . 6820 1 389 . 1 1 36 36 PHE H H 1 8.460 0.03 . 1 . . . . . . . . 6820 1 390 . 1 1 36 36 PHE HA H 1 3.180 0.03 . 1 . . . . . . . . 6820 1 391 . 1 1 36 36 PHE HB2 H 1 3.000 0.03 . 1 . . . . . . . . 6820 1 392 . 1 1 36 36 PHE HB3 H 1 3.370 0.03 . 1 . . . . . . . . 6820 1 393 . 1 1 36 36 PHE HD1 H 1 6.760 0.03 . 1 . . . . . . . . 6820 1 394 . 1 1 36 36 PHE HD2 H 1 6.760 0.03 . 1 . . . . . . . . 6820 1 395 . 1 1 36 36 PHE HE1 H 1 7.039 0.03 . 1 . . . . . . . . 6820 1 396 . 1 1 36 36 PHE HE2 H 1 7.039 0.03 . 1 . . . . . . . . 6820 1 397 . 1 1 36 36 PHE HZ H 1 7.270 0.03 . 1 . . . . . . . . 6820 1 398 . 1 1 36 36 PHE C C 13 176.400 0.40 . 1 . . . . . . . . 6820 1 399 . 1 1 36 36 PHE CA C 13 62.050 0.40 . 1 . . . . . . . . 6820 1 400 . 1 1 36 36 PHE CB C 13 39.400 0.40 . 1 . . . . . . . . 6820 1 401 . 1 1 36 36 PHE N N 15 118.820 0.20 . 1 . . . . . . . . 6820 1 402 . 1 1 37 37 ASP H H 1 8.380 0.03 . 1 . . . . . . . . 6820 1 403 . 1 1 37 37 ASP HA H 1 4.280 0.03 . 1 . . . . . . . . 6820 1 404 . 1 1 37 37 ASP HB2 H 1 2.660 0.03 . 1 . . . . . . . . 6820 1 405 . 1 1 37 37 ASP HB3 H 1 2.660 0.03 . 1 . . . . . . . . 6820 1 406 . 1 1 37 37 ASP C C 13 178.200 0.40 . 1 . . . . . . . . 6820 1 407 . 1 1 37 37 ASP CA C 13 57.106 0.40 . 1 . . . . . . . . 6820 1 408 . 1 1 37 37 ASP CB C 13 40.004 0.40 . 1 . . . . . . . . 6820 1 409 . 1 1 37 37 ASP N N 15 116.434 0.20 . 1 . . . . . . . . 6820 1 410 . 1 1 38 38 LEU H H 1 7.455 0.03 . 1 . . . . . . . . 6820 1 411 . 1 1 38 38 LEU HA H 1 3.980 0.03 . 1 . . . . . . . . 6820 1 412 . 1 1 38 38 LEU HB2 H 1 1.520 0.03 . 1 . . . . . . . . 6820 1 413 . 1 1 38 38 LEU HB3 H 1 1.520 0.03 . 1 . . . . . . . . 6820 1 414 . 1 1 38 38 LEU HG H 1 1.360 0.03 . 1 . . . . . . . . 6820 1 415 . 1 1 38 38 LEU HD11 H 1 0.825 0.03 . 1 . . . . . . . . 6820 1 416 . 1 1 38 38 LEU HD12 H 1 0.825 0.03 . 1 . . . . . . . . 6820 1 417 . 1 1 38 38 LEU HD13 H 1 0.825 0.03 . 1 . . . . . . . . 6820 1 418 . 1 1 38 38 LEU HD21 H 1 0.713 0.03 . 1 . . . . . . . . 6820 1 419 . 1 1 38 38 LEU HD22 H 1 0.713 0.03 . 1 . . . . . . . . 6820 1 420 . 1 1 38 38 LEU HD23 H 1 0.713 0.03 . 1 . . . . . . . . 6820 1 421 . 1 1 38 38 LEU C C 13 178.930 0.40 . 1 . . . . . . . . 6820 1 422 . 1 1 38 38 LEU CA C 13 57.200 0.40 . 1 . . . . . . . . 6820 1 423 . 1 1 38 38 LEU CB C 13 41.670 0.40 . 1 . . . . . . . . 6820 1 424 . 1 1 38 38 LEU CG C 13 26.435 0.40 . 1 . . . . . . . . 6820 1 425 . 1 1 38 38 LEU CD1 C 13 24.120 0.40 . 1 . . . . . . . . 6820 1 426 . 1 1 38 38 LEU CD2 C 13 24.800 0.40 . 1 . . . . . . . . 6820 1 427 . 1 1 38 38 LEU N N 15 120.200 0.20 . 1 . . . . . . . . 6820 1 428 . 1 1 39 39 PHE H H 1 7.590 0.03 . 1 . . . . . . . . 6820 1 429 . 1 1 39 39 PHE HA H 1 4.630 0.03 . 1 . . . . . . . . 6820 1 430 . 1 1 39 39 PHE HB2 H 1 2.730 0.03 . 1 . . . . . . . . 6820 1 431 . 1 1 39 39 PHE HB3 H 1 2.900 0.03 . 1 . . . . . . . . 6820 1 432 . 1 1 39 39 PHE HD1 H 1 7.198 0.03 . 1 . . . . . . . . 6820 1 433 . 1 1 39 39 PHE HD2 H 1 7.198 0.03 . 1 . . . . . . . . 6820 1 434 . 1 1 39 39 PHE HE1 H 1 7.342 0.03 . 1 . . . . . . . . 6820 1 435 . 1 1 39 39 PHE HE2 H 1 7.342 0.03 . 1 . . . . . . . . 6820 1 436 . 1 1 39 39 PHE C C 13 176.930 0.40 . 1 . . . . . . . . 6820 1 437 . 1 1 39 39 PHE CA C 13 57.400 0.40 . 1 . . . . . . . . 6820 1 438 . 1 1 39 39 PHE CB C 13 38.900 0.40 . 1 . . . . . . . . 6820 1 439 . 1 1 39 39 PHE N N 15 115.860 0.20 . 1 . . . . . . . . 6820 1 440 . 1 1 40 40 ASP H H 1 7.750 0.03 . 1 . . . . . . . . 6820 1 441 . 1 1 40 40 ASP HA H 1 4.570 0.03 . 1 . . . . . . . . 6820 1 442 . 1 1 40 40 ASP HB2 H 1 1.615 0.03 . 1 . . . . . . . . 6820 1 443 . 1 1 40 40 ASP HB3 H 1 2.563 0.03 . 1 . . . . . . . . 6820 1 444 . 1 1 40 40 ASP C C 13 177.360 0.40 . 1 . . . . . . . . 6820 1 445 . 1 1 40 40 ASP CA C 13 52.174 0.40 . 1 . . . . . . . . 6820 1 446 . 1 1 40 40 ASP CB C 13 38.900 0.40 . 1 . . . . . . . . 6820 1 447 . 1 1 40 40 ASP N N 15 120.538 0.20 . 1 . . . . . . . . 6820 1 448 . 1 1 41 41 THR H H 1 7.935 0.03 . 1 . . . . . . . . 6820 1 449 . 1 1 41 41 THR HA H 1 4.060 0.03 . 1 . . . . . . . . 6820 1 450 . 1 1 41 41 THR HB H 1 4.370 0.03 . 1 . . . . . . . . 6820 1 451 . 1 1 41 41 THR HG21 H 1 1.395 0.03 . 1 . . . . . . . . 6820 1 452 . 1 1 41 41 THR HG22 H 1 1.395 0.03 . 1 . . . . . . . . 6820 1 453 . 1 1 41 41 THR HG23 H 1 1.395 0.03 . 1 . . . . . . . . 6820 1 454 . 1 1 41 41 THR C C 13 176.310 0.40 . 1 . . . . . . . . 6820 1 455 . 1 1 41 41 THR CA C 13 64.850 0.40 . 1 . . . . . . . . 6820 1 456 . 1 1 41 41 THR CB C 13 68.900 0.40 . 1 . . . . . . . . 6820 1 457 . 1 1 41 41 THR CG2 C 13 23.000 0.40 . 1 . . . . . . . . 6820 1 458 . 1 1 41 41 THR N N 15 116.880 0.20 . 1 . . . . . . . . 6820 1 459 . 1 1 42 42 ASP H H 1 8.025 0.03 . 1 . . . . . . . . 6820 1 460 . 1 1 42 42 ASP HA H 1 4.790 0.03 . 1 . . . . . . . . 6820 1 461 . 1 1 42 42 ASP HB2 H 1 2.777 0.03 . 1 . . . . . . . . 6820 1 462 . 1 1 42 42 ASP HB3 H 1 3.152 0.03 . 1 . . . . . . . . 6820 1 463 . 1 1 42 42 ASP C C 13 177.760 0.40 . 1 . . . . . . . . 6820 1 464 . 1 1 42 42 ASP CA C 13 52.654 0.40 . 1 . . . . . . . . 6820 1 465 . 1 1 42 42 ASP CB C 13 39.950 0.40 . 1 . . . . . . . . 6820 1 466 . 1 1 42 42 ASP N N 15 117.310 0.20 . 1 . . . . . . . . 6820 1 467 . 1 1 43 43 GLY H H 1 7.870 0.03 . 1 . . . . . . . . 6820 1 468 . 1 1 43 43 GLY HA2 H 1 3.870 0.03 . 1 . . . . . . . . 6820 1 469 . 1 1 43 43 GLY HA3 H 1 3.870 0.03 . 1 . . . . . . . . 6820 1 470 . 1 1 43 43 GLY C C 13 175.310 0.40 . 1 . . . . . . . . 6820 1 471 . 1 1 43 43 GLY CA C 13 47.080 0.40 . 1 . . . . . . . . 6820 1 472 . 1 1 43 43 GLY N N 15 109.400 0.20 . 1 . . . . . . . . 6820 1 473 . 1 1 44 44 SER H H 1 8.610 0.03 . 1 . . . . . . . . 6820 1 474 . 1 1 44 44 SER HA H 1 4.263 0.03 . 1 . . . . . . . . 6820 1 475 . 1 1 44 44 SER HB2 H 1 4.280 0.03 . 1 . . . . . . . . 6820 1 476 . 1 1 44 44 SER HB3 H 1 4.031 0.03 . 1 . . . . . . . . 6820 1 477 . 1 1 44 44 SER C C 13 176.010 0.40 . 1 . . . . . . . . 6820 1 478 . 1 1 44 44 SER CA C 13 60.050 0.40 . 1 . . . . . . . . 6820 1 479 . 1 1 44 44 SER CB C 13 64.720 0.40 . 1 . . . . . . . . 6820 1 480 . 1 1 44 44 SER N N 15 116.380 0.20 . 1 . . . . . . . . 6820 1 481 . 1 1 45 45 GLY H H 1 11.000 0.03 . 1 . . . . . . . . 6820 1 482 . 1 1 45 45 GLY HA2 H 1 3.758 0.03 . 1 . . . . . . . . 6820 1 483 . 1 1 45 45 GLY HA3 H 1 4.460 0.03 . 1 . . . . . . . . 6820 1 484 . 1 1 45 45 GLY C C 13 173.080 0.40 . 1 . . . . . . . . 6820 1 485 . 1 1 45 45 GLY CA C 13 45.350 0.40 . 1 . . . . . . . . 6820 1 486 . 1 1 45 45 GLY N N 15 116.990 0.20 . 1 . . . . . . . . 6820 1 487 . 1 1 46 46 THR H H 1 7.640 0.03 . 1 . . . . . . . . 6820 1 488 . 1 1 46 46 THR HA H 1 5.070 0.03 . 1 . . . . . . . . 6820 1 489 . 1 1 46 46 THR HB H 1 3.820 0.03 . 1 . . . . . . . . 6820 1 490 . 1 1 46 46 THR HG21 H 1 1.192 0.03 . 1 . . . . . . . . 6820 1 491 . 1 1 46 46 THR HG22 H 1 1.192 0.03 . 1 . . . . . . . . 6820 1 492 . 1 1 46 46 THR HG23 H 1 1.192 0.03 . 1 . . . . . . . . 6820 1 493 . 1 1 46 46 THR C C 13 172.780 0.40 . 1 . . . . . . . . 6820 1 494 . 1 1 46 46 THR CA C 13 58.570 0.40 . 1 . . . . . . . . 6820 1 495 . 1 1 46 46 THR CB C 13 73.450 0.40 . 1 . . . . . . . . 6820 1 496 . 1 1 46 46 THR CG2 C 13 23.300 0.40 . 1 . . . . . . . . 6820 1 497 . 1 1 46 46 THR N N 15 107.270 0.20 . 1 . . . . . . . . 6820 1 498 . 1 1 47 47 ILE H H 1 9.945 0.03 . 1 . . . . . . . . 6820 1 499 . 1 1 47 47 ILE HA H 1 4.940 0.03 . 1 . . . . . . . . 6820 1 500 . 1 1 47 47 ILE HB H 1 1.819 0.03 . 1 . . . . . . . . 6820 1 501 . 1 1 47 47 ILE HG12 H 1 0.450 0.03 . 1 . . . . . . . . 6820 1 502 . 1 1 47 47 ILE HG13 H 1 0.965 0.03 . 1 . . . . . . . . 6820 1 503 . 1 1 47 47 ILE HG21 H 1 0.902 0.03 . 1 . . . . . . . . 6820 1 504 . 1 1 47 47 ILE HG22 H 1 0.902 0.03 . 1 . . . . . . . . 6820 1 505 . 1 1 47 47 ILE HG23 H 1 0.902 0.03 . 1 . . . . . . . . 6820 1 506 . 1 1 47 47 ILE HD11 H 1 0.258 0.03 . 1 . . . . . . . . 6820 1 507 . 1 1 47 47 ILE HD12 H 1 0.258 0.03 . 1 . . . . . . . . 6820 1 508 . 1 1 47 47 ILE HD13 H 1 0.258 0.03 . 1 . . . . . . . . 6820 1 509 . 1 1 47 47 ILE C C 13 175.420 0.40 . 1 . . . . . . . . 6820 1 510 . 1 1 47 47 ILE CA C 13 59.650 0.40 . 1 . . . . . . . . 6820 1 511 . 1 1 47 47 ILE CB C 13 38.800 0.40 . 1 . . . . . . . . 6820 1 512 . 1 1 47 47 ILE CG1 C 13 27.500 0.40 . 1 . . . . . . . . 6820 1 513 . 1 1 47 47 ILE CG2 C 13 17.600 0.40 . 1 . . . . . . . . 6820 1 514 . 1 1 47 47 ILE CD1 C 13 14.000 0.40 . 1 . . . . . . . . 6820 1 515 . 1 1 47 47 ILE N N 15 128.440 0.20 . 1 . . . . . . . . 6820 1 516 . 1 1 48 48 ASP H H 1 8.990 0.03 . 1 . . . . . . . . 6820 1 517 . 1 1 48 48 ASP HA H 1 4.840 0.03 . 1 . . . . . . . . 6820 1 518 . 1 1 48 48 ASP HB2 H 1 2.555 0.03 . 1 . . . . . . . . 6820 1 519 . 1 1 48 48 ASP HB3 H 1 3.311 0.03 . 1 . . . . . . . . 6820 1 520 . 1 1 48 48 ASP C C 13 175.450 0.40 . 1 . . . . . . . . 6820 1 521 . 1 1 48 48 ASP CA C 13 51.860 0.40 . 1 . . . . . . . . 6820 1 522 . 1 1 48 48 ASP CB C 13 41.950 0.40 . 1 . . . . . . . . 6820 1 523 . 1 1 48 48 ASP N N 15 129.300 0.20 . 1 . . . . . . . . 6820 1 524 . 1 1 49 49 ALA H H 1 8.620 0.03 . 1 . . . . . . . . 6820 1 525 . 1 1 49 49 ALA HA H 1 3.910 0.03 . 1 . . . . . . . . 6820 1 526 . 1 1 49 49 ALA HB1 H 1 1.450 0.03 . 1 . . . . . . . . 6820 1 527 . 1 1 49 49 ALA HB2 H 1 1.450 0.03 . 1 . . . . . . . . 6820 1 528 . 1 1 49 49 ALA HB3 H 1 1.450 0.03 . 1 . . . . . . . . 6820 1 529 . 1 1 49 49 ALA C C 13 180.040 0.40 . 1 . . . . . . . . 6820 1 530 . 1 1 49 49 ALA CA C 13 56.030 0.40 . 1 . . . . . . . . 6820 1 531 . 1 1 49 49 ALA CB C 13 18.600 0.40 . 1 . . . . . . . . 6820 1 532 . 1 1 49 49 ALA N N 15 118.480 0.20 . 1 . . . . . . . . 6820 1 533 . 1 1 50 50 LYS H H 1 8.050 0.03 . 1 . . . . . . . . 6820 1 534 . 1 1 50 50 LYS HA H 1 4.080 0.03 . 1 . . . . . . . . 6820 1 535 . 1 1 50 50 LYS HB2 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 536 . 1 1 50 50 LYS HB3 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 537 . 1 1 50 50 LYS HG2 H 1 1.528 0.03 . 1 . . . . . . . . 6820 1 538 . 1 1 50 50 LYS HG3 H 1 1.528 0.03 . 1 . . . . . . . . 6820 1 539 . 1 1 50 50 LYS HD2 H 1 1.750 0.03 . 1 . . . . . . . . 6820 1 540 . 1 1 50 50 LYS HD3 H 1 1.750 0.03 . 1 . . . . . . . . 6820 1 541 . 1 1 50 50 LYS HE2 H 1 3.050 0.03 . 1 . . . . . . . . 6820 1 542 . 1 1 50 50 LYS HE3 H 1 3.050 0.03 . 1 . . . . . . . . 6820 1 543 . 1 1 50 50 LYS C C 13 179.700 0.40 . 1 . . . . . . . . 6820 1 544 . 1 1 50 50 LYS CA C 13 59.700 0.40 . 1 . . . . . . . . 6820 1 545 . 1 1 50 50 LYS CB C 13 31.978 0.40 . 1 . . . . . . . . 6820 1 546 . 1 1 50 50 LYS CG C 13 25.173 0.40 . 1 . . . . . . . . 6820 1 547 . 1 1 50 50 LYS CD C 13 29.250 0.40 . 1 . . . . . . . . 6820 1 548 . 1 1 50 50 LYS CE C 13 42.152 0.40 . 1 . . . . . . . . 6820 1 549 . 1 1 50 50 LYS N N 15 119.900 0.20 . 1 . . . . . . . . 6820 1 550 . 1 1 51 51 GLU H H 1 8.800 0.03 . 1 . . . . . . . . 6820 1 551 . 1 1 51 51 GLU HA H 1 4.110 0.03 . 1 . . . . . . . . 6820 1 552 . 1 1 51 51 GLU HB2 H 1 2.180 0.03 . 1 . . . . . . . . 6820 1 553 . 1 1 51 51 GLU HB3 H 1 2.390 0.03 . 1 . . . . . . . . 6820 1 554 . 1 1 51 51 GLU HG2 H 1 2.570 0.03 . 1 . . . . . . . . 6820 1 555 . 1 1 51 51 GLU HG3 H 1 2.810 0.03 . 1 . . . . . . . . 6820 1 556 . 1 1 51 51 GLU C C 13 180.780 0.40 . 1 . . . . . . . . 6820 1 557 . 1 1 51 51 GLU CA C 13 58.300 0.40 . 1 . . . . . . . . 6820 1 558 . 1 1 51 51 GLU CB C 13 30.280 0.40 . 1 . . . . . . . . 6820 1 559 . 1 1 51 51 GLU CG C 13 36.240 0.40 . 1 . . . . . . . . 6820 1 560 . 1 1 51 51 GLU N N 15 121.240 0.20 . 1 . . . . . . . . 6820 1 561 . 1 1 52 52 LEU H H 1 9.060 0.03 . 1 . . . . . . . . 6820 1 562 . 1 1 52 52 LEU HA H 1 3.900 0.03 . 1 . . . . . . . . 6820 1 563 . 1 1 52 52 LEU HB2 H 1 1.528 0.03 . 1 . . . . . . . . 6820 1 564 . 1 1 52 52 LEU HB3 H 1 1.868 0.03 . 1 . . . . . . . . 6820 1 565 . 1 1 52 52 LEU HG H 1 1.610 0.03 . 1 . . . . . . . . 6820 1 566 . 1 1 52 52 LEU HD11 H 1 0.857 0.03 . 1 . . . . . . . . 6820 1 567 . 1 1 52 52 LEU HD12 H 1 0.857 0.03 . 1 . . . . . . . . 6820 1 568 . 1 1 52 52 LEU HD13 H 1 0.857 0.03 . 1 . . . . . . . . 6820 1 569 . 1 1 52 52 LEU HD21 H 1 0.892 0.03 . 1 . . . . . . . . 6820 1 570 . 1 1 52 52 LEU HD22 H 1 0.892 0.03 . 1 . . . . . . . . 6820 1 571 . 1 1 52 52 LEU HD23 H 1 0.892 0.03 . 1 . . . . . . . . 6820 1 572 . 1 1 52 52 LEU C C 13 178.470 0.40 . 1 . . . . . . . . 6820 1 573 . 1 1 52 52 LEU CA C 13 57.130 0.40 . 1 . . . . . . . . 6820 1 574 . 1 1 52 52 LEU CB C 13 41.620 0.40 . 1 . . . . . . . . 6820 1 575 . 1 1 52 52 LEU CG C 13 26.800 0.40 . 1 . . . . . . . . 6820 1 576 . 1 1 52 52 LEU CD1 C 13 22.620 0.40 . 1 . . . . . . . . 6820 1 577 . 1 1 52 52 LEU CD2 C 13 26.200 0.40 . 1 . . . . . . . . 6820 1 578 . 1 1 52 52 LEU N N 15 121.081 0.20 . 1 . . . . . . . . 6820 1 579 . 1 1 53 53 LYS H H 1 7.685 0.03 . 1 . . . . . . . . 6820 1 580 . 1 1 53 53 LYS HA H 1 3.780 0.03 . 1 . . . . . . . . 6820 1 581 . 1 1 53 53 LYS HB2 H 1 1.965 0.03 . 1 . . . . . . . . 6820 1 582 . 1 1 53 53 LYS HB3 H 1 2.095 0.03 . 1 . . . . . . . . 6820 1 583 . 1 1 53 53 LYS HG2 H 1 1.433 0.03 . 1 . . . . . . . . 6820 1 584 . 1 1 53 53 LYS HG3 H 1 1.510 0.03 . 1 . . . . . . . . 6820 1 585 . 1 1 53 53 LYS HD2 H 1 1.766 0.03 . 1 . . . . . . . . 6820 1 586 . 1 1 53 53 LYS HD3 H 1 1.766 0.03 . 1 . . . . . . . . 6820 1 587 . 1 1 53 53 LYS HE2 H 1 2.977 0.03 . 1 . . . . . . . . 6820 1 588 . 1 1 53 53 LYS HE3 H 1 2.977 0.03 . 1 . . . . . . . . 6820 1 589 . 1 1 53 53 LYS C C 13 178.250 0.40 . 1 . . . . . . . . 6820 1 590 . 1 1 53 53 LYS CA C 13 60.650 0.40 . 1 . . . . . . . . 6820 1 591 . 1 1 53 53 LYS CB C 13 32.320 0.40 . 1 . . . . . . . . 6820 1 592 . 1 1 53 53 LYS CG C 13 25.310 0.40 . 1 . . . . . . . . 6820 1 593 . 1 1 53 53 LYS CD C 13 29.538 0.40 . 1 . . . . . . . . 6820 1 594 . 1 1 53 53 LYS CE C 13 41.900 0.40 . 1 . . . . . . . . 6820 1 595 . 1 1 53 53 LYS N N 15 119.400 0.20 . 1 . . . . . . . . 6820 1 596 . 1 1 54 54 VAL H H 1 7.350 0.03 . 1 . . . . . . . . 6820 1 597 . 1 1 54 54 VAL HA H 1 3.621 0.03 . 1 . . . . . . . . 6820 1 598 . 1 1 54 54 VAL HB H 1 2.165 0.03 . 1 . . . . . . . . 6820 1 599 . 1 1 54 54 VAL HG11 H 1 1.080 0.03 . 1 . . . . . . . . 6820 1 600 . 1 1 54 54 VAL HG12 H 1 1.080 0.03 . 1 . . . . . . . . 6820 1 601 . 1 1 54 54 VAL HG13 H 1 1.080 0.03 . 1 . . . . . . . . 6820 1 602 . 1 1 54 54 VAL HG21 H 1 1.160 0.03 . 1 . . . . . . . . 6820 1 603 . 1 1 54 54 VAL HG22 H 1 1.160 0.03 . 1 . . . . . . . . 6820 1 604 . 1 1 54 54 VAL HG23 H 1 1.160 0.03 . 1 . . . . . . . . 6820 1 605 . 1 1 54 54 VAL C C 13 178.220 0.40 . 1 . . . . . . . . 6820 1 606 . 1 1 54 54 VAL CA C 13 66.250 0.40 . 1 . . . . . . . . 6820 1 607 . 1 1 54 54 VAL CB C 13 32.100 0.40 . 1 . . . . . . . . 6820 1 608 . 1 1 54 54 VAL CG1 C 13 21.350 0.40 . 1 . . . . . . . . 6820 1 609 . 1 1 54 54 VAL CG2 C 13 22.550 0.40 . 1 . . . . . . . . 6820 1 610 . 1 1 54 54 VAL N N 15 117.580 0.20 . 1 . . . . . . . . 6820 1 611 . 1 1 55 55 ALA H H 1 7.740 0.03 . 1 . . . . . . . . 6820 1 612 . 1 1 55 55 ALA HA H 1 3.360 0.03 . 1 . . . . . . . . 6820 1 613 . 1 1 55 55 ALA HB1 H 1 0.750 0.03 . 1 . . . . . . . . 6820 1 614 . 1 1 55 55 ALA HB2 H 1 0.750 0.03 . 1 . . . . . . . . 6820 1 615 . 1 1 55 55 ALA HB3 H 1 0.750 0.03 . 1 . . . . . . . . 6820 1 616 . 1 1 55 55 ALA C C 13 178.760 0.40 . 1 . . . . . . . . 6820 1 617 . 1 1 55 55 ALA CA C 13 54.798 0.40 . 1 . . . . . . . . 6820 1 618 . 1 1 55 55 ALA CB C 13 17.550 0.40 . 1 . . . . . . . . 6820 1 619 . 1 1 55 55 ALA N N 15 122.580 0.20 . 1 . . . . . . . . 6820 1 620 . 1 1 56 56 MET H H 1 8.445 0.03 . 1 . . . . . . . . 6820 1 621 . 1 1 56 56 MET HA H 1 4.125 0.03 . 1 . . . . . . . . 6820 1 622 . 1 1 56 56 MET HB2 H 1 1.930 0.03 . 1 . . . . . . . . 6820 1 623 . 1 1 56 56 MET HB3 H 1 2.104 0.03 . 1 . . . . . . . . 6820 1 624 . 1 1 56 56 MET HG2 H 1 2.435 0.03 . 1 . . . . . . . . 6820 1 625 . 1 1 56 56 MET HG3 H 1 2.592 0.03 . 1 . . . . . . . . 6820 1 626 . 1 1 56 56 MET HE1 H 1 1.756 0.03 . 1 . . . . . . . . 6820 1 627 . 1 1 56 56 MET HE2 H 1 1.756 0.03 . 1 . . . . . . . . 6820 1 628 . 1 1 56 56 MET HE3 H 1 1.756 0.03 . 1 . . . . . . . . 6820 1 629 . 1 1 56 56 MET C C 13 177.050 0.40 . 1 . . . . . . . . 6820 1 630 . 1 1 56 56 MET CA C 13 58.650 0.40 . 1 . . . . . . . . 6820 1 631 . 1 1 56 56 MET CB C 13 32.233 0.40 . 1 . . . . . . . . 6820 1 632 . 1 1 56 56 MET CG C 13 33.550 0.40 . 1 . . . . . . . . 6820 1 633 . 1 1 56 56 MET CE C 13 17.550 0.40 . 1 . . . . . . . . 6820 1 634 . 1 1 56 56 MET N N 15 113.850 0.20 . 1 . . . . . . . . 6820 1 635 . 1 1 57 57 ARG H H 1 7.840 0.03 . 1 . . . . . . . . 6820 1 636 . 1 1 57 57 ARG HA H 1 4.495 0.03 . 1 . . . . . . . . 6820 1 637 . 1 1 57 57 ARG HB2 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 638 . 1 1 57 57 ARG HB3 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 639 . 1 1 57 57 ARG HG2 H 1 1.770 0.03 . 1 . . . . . . . . 6820 1 640 . 1 1 57 57 ARG HG3 H 1 1.850 0.03 . 1 . . . . . . . . 6820 1 641 . 1 1 57 57 ARG HD2 H 1 3.290 0.03 . 1 . . . . . . . . 6820 1 642 . 1 1 57 57 ARG HD3 H 1 3.290 0.03 . 1 . . . . . . . . 6820 1 643 . 1 1 57 57 ARG C C 13 180.160 0.40 . 1 . . . . . . . . 6820 1 644 . 1 1 57 57 ARG CA C 13 58.900 0.40 . 1 . . . . . . . . 6820 1 645 . 1 1 57 57 ARG CB C 13 29.860 0.40 . 1 . . . . . . . . 6820 1 646 . 1 1 57 57 ARG CG C 13 27.564 0.40 . 1 . . . . . . . . 6820 1 647 . 1 1 57 57 ARG CD C 13 43.460 0.40 . 1 . . . . . . . . 6820 1 648 . 1 1 57 57 ARG N N 15 119.220 0.20 . 1 . . . . . . . . 6820 1 649 . 1 1 58 58 ALA H H 1 8.022 0.03 . 1 . . . . . . . . 6820 1 650 . 1 1 58 58 ALA HA H 1 4.241 0.03 . 1 . . . . . . . . 6820 1 651 . 1 1 58 58 ALA HB1 H 1 1.692 0.03 . 1 . . . . . . . . 6820 1 652 . 1 1 58 58 ALA HB2 H 1 1.692 0.03 . 1 . . . . . . . . 6820 1 653 . 1 1 58 58 ALA HB3 H 1 1.692 0.03 . 1 . . . . . . . . 6820 1 654 . 1 1 58 58 ALA C C 13 179.080 0.40 . 1 . . . . . . . . 6820 1 655 . 1 1 58 58 ALA CA C 13 54.789 0.40 . 1 . . . . . . . . 6820 1 656 . 1 1 58 58 ALA CB C 13 18.300 0.40 . 1 . . . . . . . . 6820 1 657 . 1 1 58 58 ALA N N 15 123.720 0.20 . 1 . . . . . . . . 6820 1 658 . 1 1 59 59 LEU H H 1 7.750 0.03 . 1 . . . . . . . . 6820 1 659 . 1 1 59 59 LEU HA H 1 4.362 0.03 . 1 . . . . . . . . 6820 1 660 . 1 1 59 59 LEU HB2 H 1 1.760 0.03 . 1 . . . . . . . . 6820 1 661 . 1 1 59 59 LEU HB3 H 1 1.960 0.03 . 2 . . . . . . . . 6820 1 662 . 1 1 59 59 LEU HG H 1 1.960 0.03 . 2 . . . . . . . . 6820 1 663 . 1 1 59 59 LEU HD11 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 664 . 1 1 59 59 LEU HD12 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 665 . 1 1 59 59 LEU HD13 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 666 . 1 1 59 59 LEU HD21 H 1 1.030 0.03 . 1 . . . . . . . . 6820 1 667 . 1 1 59 59 LEU HD22 H 1 1.030 0.03 . 1 . . . . . . . . 6820 1 668 . 1 1 59 59 LEU HD23 H 1 1.030 0.03 . 1 . . . . . . . . 6820 1 669 . 1 1 59 59 LEU C C 13 176.770 0.40 . 1 . . . . . . . . 6820 1 670 . 1 1 59 59 LEU CA C 13 54.925 0.40 . 1 . . . . . . . . 6820 1 671 . 1 1 59 59 LEU CB C 13 42.561 0.40 . 1 . . . . . . . . 6820 1 672 . 1 1 59 59 LEU CG C 13 26.480 0.40 . 1 . . . . . . . . 6820 1 673 . 1 1 59 59 LEU CD1 C 13 25.750 0.40 . 1 . . . . . . . . 6820 1 674 . 1 1 59 59 LEU CD2 C 13 22.800 0.40 . 1 . . . . . . . . 6820 1 675 . 1 1 59 59 LEU N N 15 116.480 0.20 . 1 . . . . . . . . 6820 1 676 . 1 1 60 60 GLY H H 1 7.732 0.03 . 1 . . . . . . . . 6820 1 677 . 1 1 60 60 GLY HA2 H 1 3.735 0.03 . 1 . . . . . . . . 6820 1 678 . 1 1 60 60 GLY HA3 H 1 4.120 0.03 . 1 . . . . . . . . 6820 1 679 . 1 1 60 60 GLY C C 13 174.290 0.40 . 1 . . . . . . . . 6820 1 680 . 1 1 60 60 GLY CA C 13 45.300 0.40 . 1 . . . . . . . . 6820 1 681 . 1 1 60 60 GLY N N 15 105.720 0.20 . 1 . . . . . . . . 6820 1 682 . 1 1 61 61 PHE H H 1 8.100 0.03 . 1 . . . . . . . . 6820 1 683 . 1 1 61 61 PHE HA H 1 4.790 0.03 . 1 . . . . . . . . 6820 1 684 . 1 1 61 61 PHE HB2 H 1 2.750 0.03 . 1 . . . . . . . . 6820 1 685 . 1 1 61 61 PHE HB3 H 1 3.096 0.03 . 1 . . . . . . . . 6820 1 686 . 1 1 61 61 PHE HD1 H 1 7.251 0.03 . 1 . . . . . . . . 6820 1 687 . 1 1 61 61 PHE HD2 H 1 7.251 0.03 . 1 . . . . . . . . 6820 1 688 . 1 1 61 61 PHE HE1 H 1 7.297 0.03 . 1 . . . . . . . . 6820 1 689 . 1 1 61 61 PHE HE2 H 1 7.297 0.03 . 1 . . . . . . . . 6820 1 690 . 1 1 61 61 PHE C C 13 174.500 0.40 . 1 . . . . . . . . 6820 1 691 . 1 1 61 61 PHE CA C 13 56.538 0.40 . 1 . . . . . . . . 6820 1 692 . 1 1 61 61 PHE CB C 13 40.516 0.40 . 1 . . . . . . . . 6820 1 693 . 1 1 61 61 PHE N N 15 119.820 0.20 . 1 . . . . . . . . 6820 1 694 . 1 1 62 62 GLU H H 1 8.680 0.03 . 1 . . . . . . . . 6820 1 695 . 1 1 62 62 GLU HA H 1 4.700 0.03 . 1 . . . . . . . . 6820 1 696 . 1 1 62 62 GLU HB2 H 1 2.070 0.03 . 1 . . . . . . . . 6820 1 697 . 1 1 62 62 GLU HB3 H 1 1.927 0.03 . 1 . . . . . . . . 6820 1 698 . 1 1 62 62 GLU HG2 H 1 2.226 0.03 . 1 . . . . . . . . 6820 1 699 . 1 1 62 62 GLU HG3 H 1 2.226 0.03 . 1 . . . . . . . . 6820 1 700 . 1 1 62 62 GLU CA C 13 53.468 0.40 . 1 . . . . . . . . 6820 1 701 . 1 1 62 62 GLU CB C 13 30.154 0.40 . 1 . . . . . . . . 6820 1 702 . 1 1 62 62 GLU CG C 13 36.100 0.40 . 1 . . . . . . . . 6820 1 703 . 1 1 62 62 GLU N N 15 121.632 0.20 . 1 . . . . . . . . 6820 1 704 . 1 1 63 63 PRO HA H 1 4.567 0.03 . 1 . . . . . . . . 6820 1 705 . 1 1 63 63 PRO HB2 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 706 . 1 1 63 63 PRO HB3 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 707 . 1 1 63 63 PRO HG2 H 1 1.930 0.03 . 1 . . . . . . . . 6820 1 708 . 1 1 63 63 PRO HG3 H 1 2.000 0.03 . 1 . . . . . . . . 6820 1 709 . 1 1 63 63 PRO HD2 H 1 3.620 0.03 . 1 . . . . . . . . 6820 1 710 . 1 1 63 63 PRO HD3 H 1 3.680 0.03 . 1 . . . . . . . . 6820 1 711 . 1 1 63 63 PRO C C 13 176.630 0.40 . 1 . . . . . . . . 6820 1 712 . 1 1 63 63 PRO CA C 13 62.600 0.40 . 1 . . . . . . . . 6820 1 713 . 1 1 63 63 PRO CB C 13 31.800 0.40 . 1 . . . . . . . . 6820 1 714 . 1 1 63 63 PRO CG C 13 27.450 0.40 . 1 . . . . . . . . 6820 1 715 . 1 1 63 63 PRO CD C 13 50.300 0.40 . 1 . . . . . . . . 6820 1 716 . 1 1 64 64 LYS H H 1 8.610 0.03 . 1 . . . . . . . . 6820 1 717 . 1 1 64 64 LYS HA H 1 4.480 0.03 . 1 . . . . . . . . 6820 1 718 . 1 1 64 64 LYS HB2 H 1 1.730 0.03 . 1 . . . . . . . . 6820 1 719 . 1 1 64 64 LYS HB3 H 1 2.175 0.03 . 1 . . . . . . . . 6820 1 720 . 1 1 64 64 LYS HG2 H 1 1.584 0.03 . 1 . . . . . . . . 6820 1 721 . 1 1 64 64 LYS HG3 H 1 1.584 0.03 . 1 . . . . . . . . 6820 1 722 . 1 1 64 64 LYS HD2 H 1 1.750 0.03 . 1 . . . . . . . . 6820 1 723 . 1 1 64 64 LYS HD3 H 1 1.750 0.03 . 1 . . . . . . . . 6820 1 724 . 1 1 64 64 LYS HE2 H 1 3.020 0.03 . 1 . . . . . . . . 6820 1 725 . 1 1 64 64 LYS HE3 H 1 3.020 0.03 . 1 . . . . . . . . 6820 1 726 . 1 1 64 64 LYS CA C 13 55.620 0.40 . 1 . . . . . . . . 6820 1 727 . 1 1 64 64 LYS CB C 13 33.773 0.40 . 1 . . . . . . . . 6820 1 728 . 1 1 64 64 LYS CG C 13 25.400 0.40 . 1 . . . . . . . . 6820 1 729 . 1 1 64 64 LYS CD C 13 29.300 0.40 . 1 . . . . . . . . 6820 1 730 . 1 1 64 64 LYS CE C 13 41.900 0.40 . 1 . . . . . . . . 6820 1 731 . 1 1 64 64 LYS N N 15 121.340 0.20 . 1 . . . . . . . . 6820 1 732 . 1 1 65 65 LYS HA H 1 4.022 0.03 . 1 . . . . . . . . 6820 1 733 . 1 1 65 65 LYS HB2 H 1 1.907 0.03 . 1 . . . . . . . . 6820 1 734 . 1 1 65 65 LYS HB3 H 1 1.982 0.03 . 1 . . . . . . . . 6820 1 735 . 1 1 65 65 LYS HG2 H 1 1.530 0.03 . 1 . . . . . . . . 6820 1 736 . 1 1 65 65 LYS HG3 H 1 1.530 0.03 . 1 . . . . . . . . 6820 1 737 . 1 1 65 65 LYS HD2 H 1 1.760 0.03 . 1 . . . . . . . . 6820 1 738 . 1 1 65 65 LYS HD3 H 1 1.760 0.03 . 1 . . . . . . . . 6820 1 739 . 1 1 65 65 LYS HE2 H 1 3.010 0.03 . 1 . . . . . . . . 6820 1 740 . 1 1 65 65 LYS HE3 H 1 3.010 0.03 . 1 . . . . . . . . 6820 1 741 . 1 1 65 65 LYS C C 13 178.730 0.40 . 1 . . . . . . . . 6820 1 742 . 1 1 65 65 LYS CA C 13 59.966 0.40 . 1 . . . . . . . . 6820 1 743 . 1 1 65 65 LYS CB C 13 32.419 0.40 . 1 . . . . . . . . 6820 1 744 . 1 1 65 65 LYS CG C 13 24.843 0.40 . 1 . . . . . . . . 6820 1 745 . 1 1 65 65 LYS CD C 13 29.372 0.40 . 1 . . . . . . . . 6820 1 746 . 1 1 65 65 LYS CE C 13 41.900 0.40 . 1 . . . . . . . . 6820 1 747 . 1 1 66 66 GLU H H 1 9.400 0.03 . 1 . . . . . . . . 6820 1 748 . 1 1 66 66 GLU HA H 1 4.140 0.03 . 1 . . . . . . . . 6820 1 749 . 1 1 66 66 GLU HB2 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 750 . 1 1 66 66 GLU HB3 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 751 . 1 1 66 66 GLU HG2 H 1 2.400 0.03 . 1 . . . . . . . . 6820 1 752 . 1 1 66 66 GLU HG3 H 1 2.400 0.03 . 1 . . . . . . . . 6820 1 753 . 1 1 66 66 GLU C C 13 177.630 0.40 . 1 . . . . . . . . 6820 1 754 . 1 1 66 66 GLU CA C 13 59.300 0.40 . 1 . . . . . . . . 6820 1 755 . 1 1 66 66 GLU CB C 13 29.050 0.40 . 1 . . . . . . . . 6820 1 756 . 1 1 66 66 GLU CG C 13 36.420 0.40 . 1 . . . . . . . . 6820 1 757 . 1 1 66 66 GLU N N 15 118.790 0.20 . 1 . . . . . . . . 6820 1 758 . 1 1 67 67 GLU H H 1 7.640 0.03 . 1 . . . . . . . . 6820 1 759 . 1 1 67 67 GLU HA H 1 4.185 0.03 . 1 . . . . . . . . 6820 1 760 . 1 1 67 67 GLU HB2 H 1 2.140 0.03 . 1 . . . . . . . . 6820 1 761 . 1 1 67 67 GLU HB3 H 1 2.258 0.03 . 1 . . . . . . . . 6820 1 762 . 1 1 67 67 GLU HG2 H 1 2.363 0.03 . 1 . . . . . . . . 6820 1 763 . 1 1 67 67 GLU HG3 H 1 2.363 0.03 . 1 . . . . . . . . 6820 1 764 . 1 1 67 67 GLU C C 13 178.870 0.40 . 1 . . . . . . . . 6820 1 765 . 1 1 67 67 GLU CA C 13 58.500 0.40 . 1 . . . . . . . . 6820 1 766 . 1 1 67 67 GLU CB C 13 29.850 0.40 . 1 . . . . . . . . 6820 1 767 . 1 1 67 67 GLU CG C 13 36.754 0.40 . 1 . . . . . . . . 6820 1 768 . 1 1 67 67 GLU N N 15 119.450 0.20 . 1 . . . . . . . . 6820 1 769 . 1 1 68 68 ILE H H 1 7.855 0.03 . 1 . . . . . . . . 6820 1 770 . 1 1 68 68 ILE HA H 1 3.775 0.03 . 1 . . . . . . . . 6820 1 771 . 1 1 68 68 ILE HB H 1 2.136 0.03 . 1 . . . . . . . . 6820 1 772 . 1 1 68 68 ILE HG12 H 1 1.330 0.03 . 1 . . . . . . . . 6820 1 773 . 1 1 68 68 ILE HG13 H 1 1.540 0.03 . 1 . . . . . . . . 6820 1 774 . 1 1 68 68 ILE HG21 H 1 0.990 0.03 . 1 . . . . . . . . 6820 1 775 . 1 1 68 68 ILE HG22 H 1 0.990 0.03 . 1 . . . . . . . . 6820 1 776 . 1 1 68 68 ILE HG23 H 1 0.990 0.03 . 1 . . . . . . . . 6820 1 777 . 1 1 68 68 ILE HD11 H 1 0.785 0.03 . 1 . . . . . . . . 6820 1 778 . 1 1 68 68 ILE HD12 H 1 0.785 0.03 . 1 . . . . . . . . 6820 1 779 . 1 1 68 68 ILE HD13 H 1 0.785 0.03 . 1 . . . . . . . . 6820 1 780 . 1 1 68 68 ILE C C 13 178.510 0.40 . 1 . . . . . . . . 6820 1 781 . 1 1 68 68 ILE CA C 13 63.500 0.40 . 1 . . . . . . . . 6820 1 782 . 1 1 68 68 ILE CB C 13 36.540 0.40 . 1 . . . . . . . . 6820 1 783 . 1 1 68 68 ILE CG1 C 13 28.218 0.40 . 1 . . . . . . . . 6820 1 784 . 1 1 68 68 ILE CG2 C 13 17.680 0.40 . 1 . . . . . . . . 6820 1 785 . 1 1 68 68 ILE CD1 C 13 11.540 0.40 . 1 . . . . . . . . 6820 1 786 . 1 1 68 68 ILE N N 15 121.420 0.20 . 1 . . . . . . . . 6820 1 787 . 1 1 69 69 LYS H H 1 7.820 0.03 . 1 . . . . . . . . 6820 1 788 . 1 1 69 69 LYS HA H 1 3.943 0.03 . 1 . . . . . . . . 6820 1 789 . 1 1 69 69 LYS HB2 H 1 1.895 0.03 . 1 . . . . . . . . 6820 1 790 . 1 1 69 69 LYS HB3 H 1 1.895 0.03 . 1 . . . . . . . . 6820 1 791 . 1 1 69 69 LYS HG2 H 1 1.574 0.03 . 1 . . . . . . . . 6820 1 792 . 1 1 69 69 LYS HG3 H 1 1.442 0.03 . 1 . . . . . . . . 6820 1 793 . 1 1 69 69 LYS HD2 H 1 1.710 0.03 . 1 . . . . . . . . 6820 1 794 . 1 1 69 69 LYS HD3 H 1 1.710 0.03 . 1 . . . . . . . . 6820 1 795 . 1 1 69 69 LYS HE2 H 1 3.010 0.03 . 1 . . . . . . . . 6820 1 796 . 1 1 69 69 LYS HE3 H 1 3.010 0.03 . 1 . . . . . . . . 6820 1 797 . 1 1 69 69 LYS C C 13 179.300 0.40 . 1 . . . . . . . . 6820 1 798 . 1 1 69 69 LYS CA C 13 59.800 0.40 . 1 . . . . . . . . 6820 1 799 . 1 1 69 69 LYS CB C 13 32.100 0.40 . 1 . . . . . . . . 6820 1 800 . 1 1 69 69 LYS CG C 13 24.983 0.40 . 1 . . . . . . . . 6820 1 801 . 1 1 69 69 LYS CD C 13 29.325 0.40 . 1 . . . . . . . . 6820 1 802 . 1 1 69 69 LYS CE C 13 41.950 0.40 . 1 . . . . . . . . 6820 1 803 . 1 1 69 69 LYS N N 15 119.060 0.20 . 1 . . . . . . . . 6820 1 804 . 1 1 70 70 LYS H H 1 7.720 0.03 . 1 . . . . . . . . 6820 1 805 . 1 1 70 70 LYS HA H 1 4.080 0.03 . 1 . . . . . . . . 6820 1 806 . 1 1 70 70 LYS HB2 H 1 1.930 0.03 . 1 . . . . . . . . 6820 1 807 . 1 1 70 70 LYS HB3 H 1 1.930 0.03 . 1 . . . . . . . . 6820 1 808 . 1 1 70 70 LYS HG2 H 1 1.546 0.03 . 1 . . . . . . . . 6820 1 809 . 1 1 70 70 LYS HG3 H 1 1.445 0.03 . 1 . . . . . . . . 6820 1 810 . 1 1 70 70 LYS HD2 H 1 1.730 0.03 . 1 . . . . . . . . 6820 1 811 . 1 1 70 70 LYS HD3 H 1 1.730 0.03 . 1 . . . . . . . . 6820 1 812 . 1 1 70 70 LYS HE2 H 1 2.990 0.03 . 1 . . . . . . . . 6820 1 813 . 1 1 70 70 LYS HE3 H 1 2.990 0.03 . 1 . . . . . . . . 6820 1 814 . 1 1 70 70 LYS C C 13 178.450 0.40 . 1 . . . . . . . . 6820 1 815 . 1 1 70 70 LYS CA C 13 59.200 0.40 . 1 . . . . . . . . 6820 1 816 . 1 1 70 70 LYS CB C 13 32.400 0.40 . 1 . . . . . . . . 6820 1 817 . 1 1 70 70 LYS CG C 13 24.934 0.40 . 1 . . . . . . . . 6820 1 818 . 1 1 70 70 LYS CD C 13 29.358 0.40 . 1 . . . . . . . . 6820 1 819 . 1 1 70 70 LYS CE C 13 42.104 0.40 . 1 . . . . . . . . 6820 1 820 . 1 1 70 70 LYS N N 15 119.700 0.20 . 1 . . . . . . . . 6820 1 821 . 1 1 71 71 MET H H 1 8.022 0.03 . 1 . . . . . . . . 6820 1 822 . 1 1 71 71 MET HA H 1 4.130 0.03 . 1 . . . . . . . . 6820 1 823 . 1 1 71 71 MET HB2 H 1 2.094 0.03 . 1 . . . . . . . . 6820 1 824 . 1 1 71 71 MET HB3 H 1 2.180 0.03 . 1 . . . . . . . . 6820 1 825 . 1 1 71 71 MET HG2 H 1 2.560 0.03 . 1 . . . . . . . . 6820 1 826 . 1 1 71 71 MET HG3 H 1 2.450 0.03 . 1 . . . . . . . . 6820 1 827 . 1 1 71 71 MET HE1 H 1 1.900 0.03 . 1 . . . . . . . . 6820 1 828 . 1 1 71 71 MET HE2 H 1 1.900 0.03 . 1 . . . . . . . . 6820 1 829 . 1 1 71 71 MET HE3 H 1 1.900 0.03 . 1 . . . . . . . . 6820 1 830 . 1 1 71 71 MET C C 13 178.500 0.40 . 1 . . . . . . . . 6820 1 831 . 1 1 71 71 MET CA C 13 58.950 0.40 . 1 . . . . . . . . 6820 1 832 . 1 1 71 71 MET CB C 13 32.600 0.40 . 1 . . . . . . . . 6820 1 833 . 1 1 71 71 MET CG C 13 32.146 0.40 . 1 . . . . . . . . 6820 1 834 . 1 1 71 71 MET CE C 13 17.200 0.40 . 1 . . . . . . . . 6820 1 835 . 1 1 71 71 MET N N 15 119.620 0.20 . 1 . . . . . . . . 6820 1 836 . 1 1 72 72 ILE H H 1 8.280 0.03 . 1 . . . . . . . . 6820 1 837 . 1 1 72 72 ILE HA H 1 3.493 0.03 . 1 . . . . . . . . 6820 1 838 . 1 1 72 72 ILE HB H 1 1.918 0.03 . 1 . . . . . . . . 6820 1 839 . 1 1 72 72 ILE HG12 H 1 0.893 0.03 . 1 . . . . . . . . 6820 1 840 . 1 1 72 72 ILE HG13 H 1 1.769 0.03 . 1 . . . . . . . . 6820 1 841 . 1 1 72 72 ILE HG21 H 1 0.837 0.03 . 1 . . . . . . . . 6820 1 842 . 1 1 72 72 ILE HG22 H 1 0.837 0.03 . 1 . . . . . . . . 6820 1 843 . 1 1 72 72 ILE HG23 H 1 0.837 0.03 . 1 . . . . . . . . 6820 1 844 . 1 1 72 72 ILE HD11 H 1 0.778 0.03 . 1 . . . . . . . . 6820 1 845 . 1 1 72 72 ILE HD12 H 1 0.778 0.03 . 1 . . . . . . . . 6820 1 846 . 1 1 72 72 ILE HD13 H 1 0.778 0.03 . 1 . . . . . . . . 6820 1 847 . 1 1 72 72 ILE C C 13 177.360 0.40 . 1 . . . . . . . . 6820 1 848 . 1 1 72 72 ILE CA C 13 65.850 0.40 . 1 . . . . . . . . 6820 1 849 . 1 1 72 72 ILE CB C 13 37.431 0.40 . 1 . . . . . . . . 6820 1 850 . 1 1 72 72 ILE CG1 C 13 30.100 0.40 . 1 . . . . . . . . 6820 1 851 . 1 1 72 72 ILE CG2 C 13 16.730 0.40 . 1 . . . . . . . . 6820 1 852 . 1 1 72 72 ILE CD1 C 13 12.640 0.40 . 1 . . . . . . . . 6820 1 853 . 1 1 72 72 ILE N N 15 117.850 0.20 . 1 . . . . . . . . 6820 1 854 . 1 1 73 73 SER H H 1 7.980 0.03 . 1 . . . . . . . . 6820 1 855 . 1 1 73 73 SER HA H 1 4.280 0.03 . 1 . . . . . . . . 6820 1 856 . 1 1 73 73 SER HB2 H 1 4.036 0.03 . 1 . . . . . . . . 6820 1 857 . 1 1 73 73 SER HB3 H 1 4.036 0.03 . 1 . . . . . . . . 6820 1 858 . 1 1 73 73 SER C C 13 175.930 0.40 . 1 . . . . . . . . 6820 1 859 . 1 1 73 73 SER CA C 13 61.600 0.40 . 1 . . . . . . . . 6820 1 860 . 1 1 73 73 SER CB C 13 62.950 0.40 . 1 . . . . . . . . 6820 1 861 . 1 1 73 73 SER N N 15 113.768 0.20 . 1 . . . . . . . . 6820 1 862 . 1 1 74 74 GLU H H 1 7.670 0.03 . 1 . . . . . . . . 6820 1 863 . 1 1 74 74 GLU HA H 1 4.160 0.03 . 1 . . . . . . . . 6820 1 864 . 1 1 74 74 GLU HB2 H 1 2.058 0.03 . 1 . . . . . . . . 6820 1 865 . 1 1 74 74 GLU HB3 H 1 2.174 0.03 . 1 . . . . . . . . 6820 1 866 . 1 1 74 74 GLU HG2 H 1 2.250 0.03 . 1 . . . . . . . . 6820 1 867 . 1 1 74 74 GLU HG3 H 1 2.450 0.03 . 1 . . . . . . . . 6820 1 868 . 1 1 74 74 GLU C C 13 177.820 0.40 . 1 . . . . . . . . 6820 1 869 . 1 1 74 74 GLU CA C 13 58.400 0.40 . 1 . . . . . . . . 6820 1 870 . 1 1 74 74 GLU CB C 13 30.400 0.40 . 1 . . . . . . . . 6820 1 871 . 1 1 74 74 GLU CG C 13 36.380 0.40 . 1 . . . . . . . . 6820 1 872 . 1 1 74 74 GLU N N 15 118.780 0.20 . 1 . . . . . . . . 6820 1 873 . 1 1 75 75 ILE H H 1 7.665 0.03 . 1 . . . . . . . . 6820 1 874 . 1 1 75 75 ILE HA H 1 4.272 0.03 . 1 . . . . . . . . 6820 1 875 . 1 1 75 75 ILE HB H 1 1.960 0.03 . 1 . . . . . . . . 6820 1 876 . 1 1 75 75 ILE HG12 H 1 1.400 0.03 . 1 . . . . . . . . 6820 1 877 . 1 1 75 75 ILE HG13 H 1 1.528 0.03 . 1 . . . . . . . . 6820 1 878 . 1 1 75 75 ILE HG21 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 879 . 1 1 75 75 ILE HG22 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 880 . 1 1 75 75 ILE HG23 H 1 0.950 0.03 . 1 . . . . . . . . 6820 1 881 . 1 1 75 75 ILE HD11 H 1 0.815 0.03 . 1 . . . . . . . . 6820 1 882 . 1 1 75 75 ILE HD12 H 1 0.815 0.03 . 1 . . . . . . . . 6820 1 883 . 1 1 75 75 ILE HD13 H 1 0.815 0.03 . 1 . . . . . . . . 6820 1 884 . 1 1 75 75 ILE C C 13 176.750 0.40 . 1 . . . . . . . . 6820 1 885 . 1 1 75 75 ILE CA C 13 61.200 0.40 . 1 . . . . . . . . 6820 1 886 . 1 1 75 75 ILE CB C 13 39.090 0.40 . 1 . . . . . . . . 6820 1 887 . 1 1 75 75 ILE CG1 C 13 27.013 0.40 . 1 . . . . . . . . 6820 1 888 . 1 1 75 75 ILE CG2 C 13 19.050 0.40 . 1 . . . . . . . . 6820 1 889 . 1 1 75 75 ILE CD1 C 13 13.450 0.40 . 1 . . . . . . . . 6820 1 890 . 1 1 75 75 ILE N N 15 114.226 0.20 . 1 . . . . . . . . 6820 1 891 . 1 1 76 76 ASP H H 1 8.230 0.03 . 1 . . . . . . . . 6820 1 892 . 1 1 76 76 ASP HA H 1 4.622 0.03 . 1 . . . . . . . . 6820 1 893 . 1 1 76 76 ASP HB2 H 1 2.400 0.03 . 1 . . . . . . . . 6820 1 894 . 1 1 76 76 ASP HB3 H 1 2.950 0.03 . 1 . . . . . . . . 6820 1 895 . 1 1 76 76 ASP C C 13 177.035 0.40 . 1 . . . . . . . . 6820 1 896 . 1 1 76 76 ASP CA C 13 53.400 0.40 . 1 . . . . . . . . 6820 1 897 . 1 1 76 76 ASP CB C 13 40.160 0.40 . 1 . . . . . . . . 6820 1 898 . 1 1 76 76 ASP N N 15 120.700 0.20 . 1 . . . . . . . . 6820 1 899 . 1 1 77 77 LYS H H 1 8.360 0.03 . 1 . . . . . . . . 6820 1 900 . 1 1 77 77 LYS HA H 1 4.272 0.03 . 1 . . . . . . . . 6820 1 901 . 1 1 77 77 LYS HB2 H 1 1.990 0.03 . 1 . . . . . . . . 6820 1 902 . 1 1 77 77 LYS HB3 H 1 1.990 0.03 . 1 . . . . . . . . 6820 1 903 . 1 1 77 77 LYS HG2 H 1 1.620 0.03 . 1 . . . . . . . . 6820 1 904 . 1 1 77 77 LYS HG3 H 1 1.620 0.03 . 1 . . . . . . . . 6820 1 905 . 1 1 77 77 LYS HD2 H 1 1.762 0.03 . 1 . . . . . . . . 6820 1 906 . 1 1 77 77 LYS HD3 H 1 1.762 0.03 . 1 . . . . . . . . 6820 1 907 . 1 1 77 77 LYS HE2 H 1 3.090 0.03 . 1 . . . . . . . . 6820 1 908 . 1 1 77 77 LYS HE3 H 1 3.090 0.03 . 1 . . . . . . . . 6820 1 909 . 1 1 77 77 LYS C C 13 177.360 0.40 . 1 . . . . . . . . 6820 1 910 . 1 1 77 77 LYS CA C 13 57.600 0.40 . 1 . . . . . . . . 6820 1 911 . 1 1 77 77 LYS CB C 13 33.064 0.40 . 1 . . . . . . . . 6820 1 912 . 1 1 77 77 LYS CG C 13 24.617 0.40 . 1 . . . . . . . . 6820 1 913 . 1 1 77 77 LYS CD C 13 28.807 0.40 . 1 . . . . . . . . 6820 1 914 . 1 1 77 77 LYS CE C 13 42.225 0.40 . 1 . . . . . . . . 6820 1 915 . 1 1 77 77 LYS N N 15 126.750 0.20 . 1 . . . . . . . . 6820 1 916 . 1 1 78 78 ASP H H 1 8.070 0.03 . 1 . . . . . . . . 6820 1 917 . 1 1 78 78 ASP HA H 1 4.785 0.03 . 1 . . . . . . . . 6820 1 918 . 1 1 78 78 ASP HB2 H 1 2.760 0.03 . 1 . . . . . . . . 6820 1 919 . 1 1 78 78 ASP HB3 H 1 3.153 0.03 . 1 . . . . . . . . 6820 1 920 . 1 1 78 78 ASP C C 13 177.550 0.40 . 1 . . . . . . . . 6820 1 921 . 1 1 78 78 ASP CA C 13 52.394 0.40 . 1 . . . . . . . . 6820 1 922 . 1 1 78 78 ASP CB C 13 40.300 0.40 . 1 . . . . . . . . 6820 1 923 . 1 1 78 78 ASP N N 15 115.307 0.20 . 1 . . . . . . . . 6820 1 924 . 1 1 79 79 GLY H H 1 7.855 0.03 . 1 . . . . . . . . 6820 1 925 . 1 1 79 79 GLY HA2 H 1 3.800 0.03 . 1 . . . . . . . . 6820 1 926 . 1 1 79 79 GLY HA3 H 1 3.930 0.03 . 1 . . . . . . . . 6820 1 927 . 1 1 79 79 GLY C C 13 175.266 0.40 . 1 . . . . . . . . 6820 1 928 . 1 1 79 79 GLY CA C 13 46.950 0.40 . 1 . . . . . . . . 6820 1 929 . 1 1 79 79 GLY N N 15 109.000 0.20 . 1 . . . . . . . . 6820 1 930 . 1 1 80 80 SER H H 1 8.480 0.03 . 1 . . . . . . . . 6820 1 931 . 1 1 80 80 SER HA H 1 4.260 0.03 . 1 . . . . . . . . 6820 1 932 . 1 1 80 80 SER HB2 H 1 4.280 0.03 . 1 . . . . . . . . 6820 1 933 . 1 1 80 80 SER HB3 H 1 4.035 0.03 . 1 . . . . . . . . 6820 1 934 . 1 1 80 80 SER C C 13 176.000 0.40 . 1 . . . . . . . . 6820 1 935 . 1 1 80 80 SER CA C 13 60.080 0.40 . 1 . . . . . . . . 6820 1 936 . 1 1 80 80 SER CB C 13 64.850 0.40 . 1 . . . . . . . . 6820 1 937 . 1 1 80 80 SER N N 15 116.550 0.20 . 1 . . . . . . . . 6820 1 938 . 1 1 81 81 GLY H H 1 10.890 0.03 . 1 . . . . . . . . 6820 1 939 . 1 1 81 81 GLY HA2 H 1 3.465 0.03 . 1 . . . . . . . . 6820 1 940 . 1 1 81 81 GLY HA3 H 1 4.265 0.03 . 1 . . . . . . . . 6820 1 941 . 1 1 81 81 GLY C C 13 172.660 0.40 . 1 . . . . . . . . 6820 1 942 . 1 1 81 81 GLY CA C 13 45.450 0.40 . 1 . . . . . . . . 6820 1 943 . 1 1 81 81 GLY N N 15 116.590 0.20 . 1 . . . . . . . . 6820 1 944 . 1 1 82 82 THR H H 1 7.700 0.03 . 1 . . . . . . . . 6820 1 945 . 1 1 82 82 THR HA H 1 4.700 0.03 . 1 . . . . . . . . 6820 1 946 . 1 1 82 82 THR HB H 1 3.910 0.03 . 1 . . . . . . . . 6820 1 947 . 1 1 82 82 THR HG21 H 1 1.180 0.03 . 1 . . . . . . . . 6820 1 948 . 1 1 82 82 THR HG22 H 1 1.180 0.03 . 1 . . . . . . . . 6820 1 949 . 1 1 82 82 THR HG23 H 1 1.180 0.03 . 1 . . . . . . . . 6820 1 950 . 1 1 82 82 THR C C 13 172.780 0.40 . 1 . . . . . . . . 6820 1 951 . 1 1 82 82 THR CA C 13 58.300 0.40 . 1 . . . . . . . . 6820 1 952 . 1 1 82 82 THR CB C 13 73.450 0.40 . 1 . . . . . . . . 6820 1 953 . 1 1 82 82 THR CG2 C 13 22.060 0.40 . 1 . . . . . . . . 6820 1 954 . 1 1 82 82 THR N N 15 106.780 0.20 . 1 . . . . . . . . 6820 1 955 . 1 1 83 83 ILE H H 1 9.590 0.03 . 1 . . . . . . . . 6820 1 956 . 1 1 83 83 ILE HA H 1 5.125 0.03 . 1 . . . . . . . . 6820 1 957 . 1 1 83 83 ILE HB H 1 2.250 0.03 . 1 . . . . . . . . 6820 1 958 . 1 1 83 83 ILE HG12 H 1 1.465 0.03 . 1 . . . . . . . . 6820 1 959 . 1 1 83 83 ILE HG13 H 1 1.235 0.03 . 1 . . . . . . . . 6820 1 960 . 1 1 83 83 ILE HG21 H 1 1.290 0.03 . 1 . . . . . . . . 6820 1 961 . 1 1 83 83 ILE HG22 H 1 1.290 0.03 . 1 . . . . . . . . 6820 1 962 . 1 1 83 83 ILE HG23 H 1 1.290 0.03 . 1 . . . . . . . . 6820 1 963 . 1 1 83 83 ILE HD11 H 1 0.806 0.03 . 1 . . . . . . . . 6820 1 964 . 1 1 83 83 ILE HD12 H 1 0.806 0.03 . 1 . . . . . . . . 6820 1 965 . 1 1 83 83 ILE HD13 H 1 0.806 0.03 . 1 . . . . . . . . 6820 1 966 . 1 1 83 83 ILE C C 13 175.650 0.40 . 1 . . . . . . . . 6820 1 967 . 1 1 83 83 ILE CA C 13 59.150 0.40 . 1 . . . . . . . . 6820 1 968 . 1 1 83 83 ILE CB C 13 38.750 0.40 . 1 . . . . . . . . 6820 1 969 . 1 1 83 83 ILE CG1 C 13 27.400 0.40 . 1 . . . . . . . . 6820 1 970 . 1 1 83 83 ILE CG2 C 13 18.350 0.40 . 1 . . . . . . . . 6820 1 971 . 1 1 83 83 ILE CD1 C 13 13.100 0.40 . 1 . . . . . . . . 6820 1 972 . 1 1 83 83 ILE N N 15 127.210 0.20 . 1 . . . . . . . . 6820 1 973 . 1 1 84 84 ASP H H 1 9.260 0.03 . 1 . . . . . . . . 6820 1 974 . 1 1 84 84 ASP HA H 1 5.234 0.03 . 1 . . . . . . . . 6820 1 975 . 1 1 84 84 ASP HB2 H 1 2.690 0.03 . 1 . . . . . . . . 6820 1 976 . 1 1 84 84 ASP HB3 H 1 3.368 0.03 . 1 . . . . . . . . 6820 1 977 . 1 1 84 84 ASP C C 13 175.690 0.40 . 1 . . . . . . . . 6820 1 978 . 1 1 84 84 ASP CA C 13 52.690 0.40 . 1 . . . . . . . . 6820 1 979 . 1 1 84 84 ASP CB C 13 41.546 0.40 . 1 . . . . . . . . 6820 1 980 . 1 1 84 84 ASP N N 15 129.580 0.20 . 1 . . . . . . . . 6820 1 981 . 1 1 85 85 PHE H H 1 8.830 0.03 . 1 . . . . . . . . 6820 1 982 . 1 1 85 85 PHE HA H 1 3.495 0.03 . 1 . . . . . . . . 6820 1 983 . 1 1 85 85 PHE HB2 H 1 2.227 0.03 . 1 . . . . . . . . 6820 1 984 . 1 1 85 85 PHE HB3 H 1 2.586 0.03 . 1 . . . . . . . . 6820 1 985 . 1 1 85 85 PHE HD1 H 1 6.713 0.03 . 1 . . . . . . . . 6820 1 986 . 1 1 85 85 PHE HD2 H 1 6.713 0.03 . 1 . . . . . . . . 6820 1 987 . 1 1 85 85 PHE HE1 H 1 7.180 0.03 . 1 . . . . . . . . 6820 1 988 . 1 1 85 85 PHE HE2 H 1 7.180 0.03 . 1 . . . . . . . . 6820 1 989 . 1 1 85 85 PHE C C 13 176.270 0.40 . 1 . . . . . . . . 6820 1 990 . 1 1 85 85 PHE CA C 13 62.250 0.40 . 1 . . . . . . . . 6820 1 991 . 1 1 85 85 PHE CB C 13 38.471 0.40 . 1 . . . . . . . . 6820 1 992 . 1 1 85 85 PHE N N 15 118.700 0.20 . 1 . . . . . . . . 6820 1 993 . 1 1 86 86 GLU H H 1 8.030 0.03 . 1 . . . . . . . . 6820 1 994 . 1 1 86 86 GLU HA H 1 3.670 0.03 . 1 . . . . . . . . 6820 1 995 . 1 1 86 86 GLU HB2 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 996 . 1 1 86 86 GLU HB3 H 1 2.100 0.03 . 1 . . . . . . . . 6820 1 997 . 1 1 86 86 GLU HG2 H 1 2.332 0.03 . 1 . . . . . . . . 6820 1 998 . 1 1 86 86 GLU HG3 H 1 2.332 0.03 . 1 . . . . . . . . 6820 1 999 . 1 1 86 86 GLU C C 13 180.380 0.40 . 1 . . . . . . . . 6820 1 1000 . 1 1 86 86 GLU CA C 13 60.000 0.40 . 1 . . . . . . . . 6820 1 1001 . 1 1 86 86 GLU CB C 13 28.717 0.40 . 1 . . . . . . . . 6820 1 1002 . 1 1 86 86 GLU CG C 13 36.805 0.40 . 1 . . . . . . . . 6820 1 1003 . 1 1 86 86 GLU N N 15 118.390 0.20 . 1 . . . . . . . . 6820 1 1004 . 1 1 87 87 GLU H H 1 8.622 0.03 . 1 . . . . . . . . 6820 1 1005 . 1 1 87 87 GLU HA H 1 4.110 0.03 . 1 . . . . . . . . 6820 1 1006 . 1 1 87 87 GLU HB2 H 1 2.080 0.03 . 1 . . . . . . . . 6820 1 1007 . 1 1 87 87 GLU HB3 H 1 2.550 0.03 . 1 . . . . . . . . 6820 1 1008 . 1 1 87 87 GLU HG2 H 1 2.480 0.03 . 1 . . . . . . . . 6820 1 1009 . 1 1 87 87 GLU HG3 H 1 2.990 0.03 . 1 . . . . . . . . 6820 1 1010 . 1 1 87 87 GLU C C 13 178.920 0.40 . 1 . . . . . . . . 6820 1 1011 . 1 1 87 87 GLU CA C 13 58.650 0.40 . 1 . . . . . . . . 6820 1 1012 . 1 1 87 87 GLU CB C 13 29.600 0.40 . 1 . . . . . . . . 6820 1 1013 . 1 1 87 87 GLU CG C 13 36.839 0.40 . 1 . . . . . . . . 6820 1 1014 . 1 1 87 87 GLU N N 15 121.269 0.20 . 1 . . . . . . . . 6820 1 1015 . 1 1 88 88 PHE H H 1 8.900 0.03 . 1 . . . . . . . . 6820 1 1016 . 1 1 88 88 PHE HA H 1 4.005 0.03 . 1 . . . . . . . . 6820 1 1017 . 1 1 88 88 PHE HB2 H 1 3.270 0.03 . 1 . . . . . . . . 6820 1 1018 . 1 1 88 88 PHE HB3 H 1 3.270 0.03 . 1 . . . . . . . . 6820 1 1019 . 1 1 88 88 PHE HD1 H 1 7.103 0.03 . 1 . . . . . . . . 6820 1 1020 . 1 1 88 88 PHE HD2 H 1 7.103 0.03 . 1 . . . . . . . . 6820 1 1021 . 1 1 88 88 PHE HE1 H 1 7.454 0.03 . 1 . . . . . . . . 6820 1 1022 . 1 1 88 88 PHE HE2 H 1 7.454 0.03 . 1 . . . . . . . . 6820 1 1023 . 1 1 88 88 PHE HZ H 1 7.358 0.03 . 1 . . . . . . . . 6820 1 1024 . 1 1 88 88 PHE C C 13 176.852 0.40 . 1 . . . . . . . . 6820 1 1025 . 1 1 88 88 PHE CA C 13 61.500 0.40 . 1 . . . . . . . . 6820 1 1026 . 1 1 88 88 PHE CB C 13 40.488 0.40 . 1 . . . . . . . . 6820 1 1027 . 1 1 88 88 PHE N N 15 123.100 0.20 . 1 . . . . . . . . 6820 1 1028 . 1 1 89 89 LEU H H 1 8.830 0.03 . 1 . . . . . . . . 6820 1 1029 . 1 1 89 89 LEU HA H 1 3.655 0.03 . 1 . . . . . . . . 6820 1 1030 . 1 1 89 89 LEU HB2 H 1 1.214 0.03 . 1 . . . . . . . . 6820 1 1031 . 1 1 89 89 LEU HB3 H 1 1.490 0.03 . 1 . . . . . . . . 6820 1 1032 . 1 1 89 89 LEU HG H 1 1.288 0.03 . 1 . . . . . . . . 6820 1 1033 . 1 1 89 89 LEU HD11 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1034 . 1 1 89 89 LEU HD12 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1035 . 1 1 89 89 LEU HD13 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1036 . 1 1 89 89 LEU HD21 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1037 . 1 1 89 89 LEU HD22 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1038 . 1 1 89 89 LEU HD23 H 1 0.787 0.03 . 1 . . . . . . . . 6820 1 1039 . 1 1 89 89 LEU C C 13 179.930 0.40 . 1 . . . . . . . . 6820 1 1040 . 1 1 89 89 LEU CA C 13 58.600 0.40 . 1 . . . . . . . . 6820 1 1041 . 1 1 89 89 LEU CB C 13 41.266 0.40 . 1 . . . . . . . . 6820 1 1042 . 1 1 89 89 LEU CG C 13 26.800 0.40 . 1 . . . . . . . . 6820 1 1043 . 1 1 89 89 LEU CD1 C 13 25.500 0.40 . 1 . . . . . . . . 6820 1 1044 . 1 1 89 89 LEU CD2 C 13 25.200 0.40 . 1 . . . . . . . . 6820 1 1045 . 1 1 89 89 LEU N N 15 120.600 0.20 . 1 . . . . . . . . 6820 1 1046 . 1 1 90 90 THR H H 1 7.860 0.03 . 1 . . . . . . . . 6820 1 1047 . 1 1 90 90 THR HA H 1 3.786 0.03 . 1 . . . . . . . . 6820 1 1048 . 1 1 90 90 THR HB H 1 4.378 0.03 . 1 . . . . . . . . 6820 1 1049 . 1 1 90 90 THR HG21 H 1 1.246 0.03 . 1 . . . . . . . . 6820 1 1050 . 1 1 90 90 THR HG22 H 1 1.246 0.03 . 1 . . . . . . . . 6820 1 1051 . 1 1 90 90 THR HG23 H 1 1.246 0.03 . 1 . . . . . . . . 6820 1 1052 . 1 1 90 90 THR C C 13 175.886 0.40 . 1 . . . . . . . . 6820 1 1053 . 1 1 90 90 THR CA C 13 66.800 0.40 . 1 . . . . . . . . 6820 1 1054 . 1 1 90 90 THR CB C 13 68.400 0.40 . 1 . . . . . . . . 6820 1 1055 . 1 1 90 90 THR CG2 C 13 21.840 0.40 . 1 . . . . . . . . 6820 1 1056 . 1 1 90 90 THR N N 15 116.920 0.20 . 1 . . . . . . . . 6820 1 1057 . 1 1 91 91 MET H H 1 7.665 0.03 . 1 . . . . . . . . 6820 1 1058 . 1 1 91 91 MET HA H 1 3.970 0.03 . 1 . . . . . . . . 6820 1 1059 . 1 1 91 91 MET HB2 H 1 2.050 0.03 . 1 . . . . . . . . 6820 1 1060 . 1 1 91 91 MET HB3 H 1 2.220 0.03 . 1 . . . . . . . . 6820 1 1061 . 1 1 91 91 MET HG2 H 1 2.270 0.03 . 1 . . . . . . . . 6820 1 1062 . 1 1 91 91 MET HG3 H 1 2.520 0.03 . 1 . . . . . . . . 6820 1 1063 . 1 1 91 91 MET HE1 H 1 1.723 0.03 . 1 . . . . . . . . 6820 1 1064 . 1 1 91 91 MET HE2 H 1 1.723 0.03 . 1 . . . . . . . . 6820 1 1065 . 1 1 91 91 MET HE3 H 1 1.723 0.03 . 1 . . . . . . . . 6820 1 1066 . 1 1 91 91 MET C C 13 177.836 0.40 . 1 . . . . . . . . 6820 1 1067 . 1 1 91 91 MET CA C 13 59.000 0.40 . 1 . . . . . . . . 6820 1 1068 . 1 1 91 91 MET CB C 13 32.520 0.40 . 1 . . . . . . . . 6820 1 1069 . 1 1 91 91 MET CG C 13 31.650 0.40 . 1 . . . . . . . . 6820 1 1070 . 1 1 91 91 MET CE C 13 17.400 0.40 . 1 . . . . . . . . 6820 1 1071 . 1 1 91 91 MET N N 15 122.010 0.20 . 1 . . . . . . . . 6820 1 1072 . 1 1 92 92 MET H H 1 8.110 0.03 . 1 . . . . . . . . 6820 1 1073 . 1 1 92 92 MET HA H 1 4.312 0.03 . 1 . . . . . . . . 6820 1 1074 . 1 1 92 92 MET HB2 H 1 1.876 0.03 . 1 . . . . . . . . 6820 1 1075 . 1 1 92 92 MET HB3 H 1 1.940 0.03 . 1 . . . . . . . . 6820 1 1076 . 1 1 92 92 MET HG2 H 1 1.950 0.03 . 1 . . . . . . . . 6820 1 1077 . 1 1 92 92 MET HG3 H 1 1.950 0.03 . 1 . . . . . . . . 6820 1 1078 . 1 1 92 92 MET HE1 H 1 1.960 0.03 . 1 . . . . . . . . 6820 1 1079 . 1 1 92 92 MET HE2 H 1 1.960 0.03 . 1 . . . . . . . . 6820 1 1080 . 1 1 92 92 MET HE3 H 1 1.960 0.03 . 1 . . . . . . . . 6820 1 1081 . 1 1 92 92 MET C C 13 178.370 0.40 . 1 . . . . . . . . 6820 1 1082 . 1 1 92 92 MET CA C 13 56.064 0.40 . 1 . . . . . . . . 6820 1 1083 . 1 1 92 92 MET CB C 13 31.730 0.40 . 1 . . . . . . . . 6820 1 1084 . 1 1 92 92 MET CG C 13 32.600 0.40 . 1 . . . . . . . . 6820 1 1085 . 1 1 92 92 MET CE C 13 16.850 0.40 . 1 . . . . . . . . 6820 1 1086 . 1 1 92 92 MET N N 15 115.500 0.20 . 1 . . . . . . . . 6820 1 1087 . 1 1 93 93 THR H H 1 7.890 0.03 . 1 . . . . . . . . 6820 1 1088 . 1 1 93 93 THR HA H 1 4.297 0.03 . 1 . . . . . . . . 6820 1 1089 . 1 1 93 93 THR HB H 1 4.335 0.03 . 1 . . . . . . . . 6820 1 1090 . 1 1 93 93 THR HG21 H 1 1.220 0.03 . 1 . . . . . . . . 6820 1 1091 . 1 1 93 93 THR HG22 H 1 1.220 0.03 . 1 . . . . . . . . 6820 1 1092 . 1 1 93 93 THR HG23 H 1 1.220 0.03 . 1 . . . . . . . . 6820 1 1093 . 1 1 93 93 THR C C 13 175.390 0.40 . 1 . . . . . . . . 6820 1 1094 . 1 1 93 93 THR CA C 13 63.220 0.40 . 1 . . . . . . . . 6820 1 1095 . 1 1 93 93 THR CB C 13 69.800 0.40 . 1 . . . . . . . . 6820 1 1096 . 1 1 93 93 THR CG2 C 13 21.800 0.40 . 1 . . . . . . . . 6820 1 1097 . 1 1 93 93 THR N N 15 110.800 0.20 . 1 . . . . . . . . 6820 1 1098 . 1 1 94 94 ALA H H 1 7.570 0.03 . 1 . . . . . . . . 6820 1 1099 . 1 1 94 94 ALA HA H 1 4.380 0.03 . 1 . . . . . . . . 6820 1 1100 . 1 1 94 94 ALA HB1 H 1 1.500 0.03 . 1 . . . . . . . . 6820 1 1101 . 1 1 94 94 ALA HB2 H 1 1.500 0.03 . 1 . . . . . . . . 6820 1 1102 . 1 1 94 94 ALA HB3 H 1 1.500 0.03 . 1 . . . . . . . . 6820 1 1103 . 1 1 94 94 ALA C C 13 178.035 0.40 . 1 . . . . . . . . 6820 1 1104 . 1 1 94 94 ALA CA C 13 53.460 0.40 . 1 . . . . . . . . 6820 1 1105 . 1 1 94 94 ALA CB C 13 19.350 0.40 . 1 . . . . . . . . 6820 1 1106 . 1 1 94 94 ALA N N 15 123.900 0.20 . 1 . . . . . . . . 6820 1 1107 . 1 1 95 95 LYS H H 1 7.848 0.03 . 1 . . . . . . . . 6820 1 1108 . 1 1 95 95 LYS HA H 1 4.440 0.03 . 1 . . . . . . . . 6820 1 1109 . 1 1 95 95 LYS HB2 H 1 1.815 0.03 . 1 . . . . . . . . 6820 1 1110 . 1 1 95 95 LYS HB3 H 1 1.976 0.03 . 1 . . . . . . . . 6820 1 1111 . 1 1 95 95 LYS HG2 H 1 1.444 0.03 . 1 . . . . . . . . 6820 1 1112 . 1 1 95 95 LYS HG3 H 1 1.444 0.03 . 1 . . . . . . . . 6820 1 1113 . 1 1 95 95 LYS HD2 H 1 1.641 0.03 . 1 . . . . . . . . 6820 1 1114 . 1 1 95 95 LYS HD3 H 1 1.641 0.03 . 1 . . . . . . . . 6820 1 1115 . 1 1 95 95 LYS HE2 H 1 2.890 0.03 . 1 . . . . . . . . 6820 1 1116 . 1 1 95 95 LYS HE3 H 1 2.890 0.03 . 1 . . . . . . . . 6820 1 1117 . 1 1 95 95 LYS C C 13 175.730 0.40 . 1 . . . . . . . . 6820 1 1118 . 1 1 95 95 LYS CA C 13 55.765 0.40 . 1 . . . . . . . . 6820 1 1119 . 1 1 95 95 LYS CB C 13 32.968 0.40 . 1 . . . . . . . . 6820 1 1120 . 1 1 95 95 LYS CG C 13 24.577 0.40 . 1 . . . . . . . . 6820 1 1121 . 1 1 95 95 LYS CD C 13 28.760 0.40 . 1 . . . . . . . . 6820 1 1122 . 1 1 95 95 LYS CE C 13 42.144 0.40 . 1 . . . . . . . . 6820 1 1123 . 1 1 95 95 LYS N N 15 117.721 0.20 . 1 . . . . . . . . 6820 1 1124 . 1 1 96 96 MET H H 1 7.600 0.03 . 1 . . . . . . . . 6820 1 1125 . 1 1 96 96 MET HA H 1 4.257 0.03 . 1 . . . . . . . . 6820 1 1126 . 1 1 96 96 MET HB2 H 1 1.970 0.03 . 1 . . . . . . . . 6820 1 1127 . 1 1 96 96 MET HB3 H 1 2.137 0.03 . 1 . . . . . . . . 6820 1 1128 . 1 1 96 96 MET HG2 H 1 2.555 0.03 . 1 . . . . . . . . 6820 1 1129 . 1 1 96 96 MET HG3 H 1 2.555 0.03 . 1 . . . . . . . . 6820 1 1130 . 1 1 96 96 MET HE1 H 1 2.055 0.03 . 1 . . . . . . . . 6820 1 1131 . 1 1 96 96 MET HE2 H 1 2.055 0.03 . 1 . . . . . . . . 6820 1 1132 . 1 1 96 96 MET HE3 H 1 2.055 0.03 . 1 . . . . . . . . 6820 1 1133 . 1 1 96 96 MET CA C 13 57.328 0.40 . 1 . . . . . . . . 6820 1 1134 . 1 1 96 96 MET CB C 13 34.100 0.40 . 1 . . . . . . . . 6820 1 1135 . 1 1 96 96 MET CG C 13 32.720 0.40 . 1 . . . . . . . . 6820 1 1136 . 1 1 96 96 MET CE C 13 17.200 0.40 . 1 . . . . . . . . 6820 1 1137 . 1 1 96 96 MET N N 15 125.770 0.20 . 1 . . . . . . . . 6820 1 stop_ save_