data_5892 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5892 _Entry.Title ; 1H, 13C and 15N NMR Assignments of the Hyperthermophile Sulfolobus Protein Sso10b2 and its Predicted Secondary Structure ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-07-30 _Entry.Accession_date 2003-08-01 _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 Kalpesh Biyani . . . 5892 2 Mebrahtu Kahsai . . . 5892 3 Stephen Edmondson . P. . 5892 4 John Shriver . W. . 5892 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5892 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 617 5892 '13C chemical shifts' 400 5892 '15N chemical shifts' 87 5892 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-11-05 . update BMRB 'complete the entry citation' 5892 2 . . 2004-07-30 . original author 'original release' 5892 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5892 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16245938 _Citation.Full_citation . _Citation.Title ; Solution structure, stability, and nucleic acid binding of the hyperthermophile protein Sso10b2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 43 _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 14217 _Citation.Page_last 14230 _Citation.Year 2005 _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 Kalpesh Biyani . . . 5892 1 2 Mebrahtu Kahsai . A. . 5892 1 3 Andrew Clark . T. . 5892 1 4 Tracy Armstrong . L. . 5892 1 5 Stephen Edmondson . P. . 5892 1 6 John Shriver . W. . 5892 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hyperthermophile protein' 5892 1 Sulfolobus 5892 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Sso10b2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Sso10b2 _Assembly.Entry_ID 5892 _Assembly.ID 1 _Assembly.Name Sso10b2 _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 dimer 5892 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 'Sso10b2 subunit 1' 1 $Sso10b2_monomer . . . native . . 1 . . 5892 1 2 'Sso10b2 subunit 2' 1 $Sso10b2_monomer . . . native . . 1 . . 5892 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Sso10b2 system 5892 1 Sso10b2 abbreviation 5892 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sso10b2_monomer _Entity.Sf_category entity _Entity.Sf_framecode Sso10b2_monomer _Entity.Entry_ID 5892 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sso10b2 _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 ; MTEKLNEIVVRKTKNVEDHV LDVIVLFNQGIDEVILKGTG REISKAVDVYNSLKDRLGDG VQLVNVQTGSEVRDRRRISY ILLRLKRVY ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UDV . "Crystal Structure Of The Hyperthermophilic Archaeal Dna-Binding Protein Sso10b2 At 1.85 A" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 2 no PDB 2A2Y . "Nmr Structue Of Sso10b2 From Sulfolobus Solfataricus" . . . . . 98.88 89 100.00 100.00 8.19e-52 . . . . 5892 1 3 no PDB 2BKY . "Crystal Structure Of The Alba1:alba2 Heterodimer From Sulfolobus Solfataricus" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 4 no EMBL CAA67067 . "unknown [Sulfolobus shibatae B12]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 5 no GB AAK41238 . "DNA binding protein SSO10b [Sulfolobus solfataricus P2]" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 6 no GB ACP35355 . "Alba, DNA/RNA-binding protein [Sulfolobus islandicus L.S.2.15]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 7 no GB ACP38015 . "Alba, DNA/RNA-binding protein [Sulfolobus islandicus M.14.25]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 8 no GB ACP45511 . "Alba, DNA/RNA-binding protein [Sulfolobus islandicus Y.G.57.14]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 9 no GB ACP48691 . "Alba, DNA/RNA-binding protein [Sulfolobus islandicus Y.N.15.51]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 10 no REF NP_342448 . "DNA binding protein [Sulfolobus solfataricus P2]" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 11 no REF WP_009992410 . "DNA-binding protein [Sulfolobus solfataricus]" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 12 no REF WP_012711268 . "DNA-binding protein [Sulfolobus islandicus]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 13 no REF YP_002829313 . "DNA/RNA-binding protein [Sulfolobus islandicus M.14.25]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 14 no REF YP_002832000 . "DNA/RNA-binding protein [Sulfolobus islandicus L.S.2.15]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 15 no SP P74762 . "RecName: Full=DNA/RNA-binding protein Alba 2 [Sulfolobus shibatae]" . . . . . 100.00 89 97.75 98.88 8.74e-52 . . . . 5892 1 16 no SP Q97ZF4 . "RecName: Full=DNA/RNA-binding protein Alba 2 [Sulfolobus solfataricus P2]" . . . . . 100.00 89 100.00 100.00 6.40e-53 . . . . 5892 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sso10b2 common 5892 1 Sso10b2 abbreviation 5892 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5892 1 2 . THR . 5892 1 3 . GLU . 5892 1 4 . LYS . 5892 1 5 . LEU . 5892 1 6 . ASN . 5892 1 7 . GLU . 5892 1 8 . ILE . 5892 1 9 . VAL . 5892 1 10 . VAL . 5892 1 11 . ARG . 5892 1 12 . LYS . 5892 1 13 . THR . 5892 1 14 . LYS . 5892 1 15 . ASN . 5892 1 16 . VAL . 5892 1 17 . GLU . 5892 1 18 . ASP . 5892 1 19 . HIS . 5892 1 20 . VAL . 5892 1 21 . LEU . 5892 1 22 . ASP . 5892 1 23 . VAL . 5892 1 24 . ILE . 5892 1 25 . VAL . 5892 1 26 . LEU . 5892 1 27 . PHE . 5892 1 28 . ASN . 5892 1 29 . GLN . 5892 1 30 . GLY . 5892 1 31 . ILE . 5892 1 32 . ASP . 5892 1 33 . GLU . 5892 1 34 . VAL . 5892 1 35 . ILE . 5892 1 36 . LEU . 5892 1 37 . LYS . 5892 1 38 . GLY . 5892 1 39 . THR . 5892 1 40 . GLY . 5892 1 41 . ARG . 5892 1 42 . GLU . 5892 1 43 . ILE . 5892 1 44 . SER . 5892 1 45 . LYS . 5892 1 46 . ALA . 5892 1 47 . VAL . 5892 1 48 . ASP . 5892 1 49 . VAL . 5892 1 50 . TYR . 5892 1 51 . ASN . 5892 1 52 . SER . 5892 1 53 . LEU . 5892 1 54 . LYS . 5892 1 55 . ASP . 5892 1 56 . ARG . 5892 1 57 . LEU . 5892 1 58 . GLY . 5892 1 59 . ASP . 5892 1 60 . GLY . 5892 1 61 . VAL . 5892 1 62 . GLN . 5892 1 63 . LEU . 5892 1 64 . VAL . 5892 1 65 . ASN . 5892 1 66 . VAL . 5892 1 67 . GLN . 5892 1 68 . THR . 5892 1 69 . GLY . 5892 1 70 . SER . 5892 1 71 . GLU . 5892 1 72 . VAL . 5892 1 73 . ARG . 5892 1 74 . ASP . 5892 1 75 . ARG . 5892 1 76 . ARG . 5892 1 77 . ARG . 5892 1 78 . ILE . 5892 1 79 . SER . 5892 1 80 . TYR . 5892 1 81 . ILE . 5892 1 82 . LEU . 5892 1 83 . LEU . 5892 1 84 . ARG . 5892 1 85 . LEU . 5892 1 86 . LYS . 5892 1 87 . ARG . 5892 1 88 . VAL . 5892 1 89 . TYR . 5892 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5892 1 . THR 2 2 5892 1 . GLU 3 3 5892 1 . LYS 4 4 5892 1 . LEU 5 5 5892 1 . ASN 6 6 5892 1 . GLU 7 7 5892 1 . ILE 8 8 5892 1 . VAL 9 9 5892 1 . VAL 10 10 5892 1 . ARG 11 11 5892 1 . LYS 12 12 5892 1 . THR 13 13 5892 1 . LYS 14 14 5892 1 . ASN 15 15 5892 1 . VAL 16 16 5892 1 . GLU 17 17 5892 1 . ASP 18 18 5892 1 . HIS 19 19 5892 1 . VAL 20 20 5892 1 . LEU 21 21 5892 1 . ASP 22 22 5892 1 . VAL 23 23 5892 1 . ILE 24 24 5892 1 . VAL 25 25 5892 1 . LEU 26 26 5892 1 . PHE 27 27 5892 1 . ASN 28 28 5892 1 . GLN 29 29 5892 1 . GLY 30 30 5892 1 . ILE 31 31 5892 1 . ASP 32 32 5892 1 . GLU 33 33 5892 1 . VAL 34 34 5892 1 . ILE 35 35 5892 1 . LEU 36 36 5892 1 . LYS 37 37 5892 1 . GLY 38 38 5892 1 . THR 39 39 5892 1 . GLY 40 40 5892 1 . ARG 41 41 5892 1 . GLU 42 42 5892 1 . ILE 43 43 5892 1 . SER 44 44 5892 1 . LYS 45 45 5892 1 . ALA 46 46 5892 1 . VAL 47 47 5892 1 . ASP 48 48 5892 1 . VAL 49 49 5892 1 . TYR 50 50 5892 1 . ASN 51 51 5892 1 . SER 52 52 5892 1 . LEU 53 53 5892 1 . LYS 54 54 5892 1 . ASP 55 55 5892 1 . ARG 56 56 5892 1 . LEU 57 57 5892 1 . GLY 58 58 5892 1 . ASP 59 59 5892 1 . GLY 60 60 5892 1 . VAL 61 61 5892 1 . GLN 62 62 5892 1 . LEU 63 63 5892 1 . VAL 64 64 5892 1 . ASN 65 65 5892 1 . VAL 66 66 5892 1 . GLN 67 67 5892 1 . THR 68 68 5892 1 . GLY 69 69 5892 1 . SER 70 70 5892 1 . GLU 71 71 5892 1 . VAL 72 72 5892 1 . ARG 73 73 5892 1 . ASP 74 74 5892 1 . ARG 75 75 5892 1 . ARG 76 76 5892 1 . ARG 77 77 5892 1 . ILE 78 78 5892 1 . SER 79 79 5892 1 . TYR 80 80 5892 1 . ILE 81 81 5892 1 . LEU 82 82 5892 1 . LEU 83 83 5892 1 . ARG 84 84 5892 1 . LEU 85 85 5892 1 . LYS 86 86 5892 1 . ARG 87 87 5892 1 . VAL 88 88 5892 1 . TYR 89 89 5892 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 5892 _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 $Sso10b2_monomer . 2287 . . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . . . . 5892 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 5892 _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 $Sso10b2_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5892 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5892 _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 Sso10b2 '[U-98% 13C; U-98% 15N]' . . 1 $Sso10b2_monomer . . 1.0 . . mM . . . . 5892 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5892 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.6 0.2 n/a 5892 1 temperature 303 0.2 K 5892 1 'ionic strength' 0.0 0.0 M 5892 1 stop_ save_ ############################ # Computer software used # ############################ save_Varian _Software.Sf_category software _Software.Sf_framecode Varian _Software.Entry_ID 5892 _Software.ID 1 _Software.Name Varian _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5892 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5892 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5892 _Software.ID 4 _Software.Name Felix _Software.Version . _Software.Details . 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 5892 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _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 5892 _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 VARIAN INOVA . 800 . . . 5892 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 5892 _Experiment_list.ID 1 _Experiment_list.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 5892 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5892 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5892 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5892 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_Sso10b2_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Sso10b2_set _Assigned_chem_shift_list.Entry_ID 5892 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_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 . 5892 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR CA C 13 61.999 0.6 . 1 . . . . . . . . 5892 1 2 . 1 1 2 2 THR HA H 1 3.738 0.04 . 1 . . . . . . . . 5892 1 3 . 1 1 2 2 THR C C 13 181.651 0.6 . 1 . . . . . . . . 5892 1 4 . 1 1 2 2 THR CB C 13 69.607 0.6 . 1 . . . . . . . . 5892 1 5 . 1 1 2 2 THR HB H 1 3.985 0.04 . 1 . . . . . . . . 5892 1 6 . 1 1 2 2 THR CG2 C 13 22.059 0.6 . 1 . . . . . . . . 5892 1 7 . 1 1 2 2 THR HG21 H 1 1.172 0.04 . 1 . . . . . . . . 5892 1 8 . 1 1 2 2 THR HG22 H 1 1.172 0.04 . 1 . . . . . . . . 5892 1 9 . 1 1 2 2 THR HG23 H 1 1.172 0.04 . 1 . . . . . . . . 5892 1 10 . 1 1 3 3 GLU H H 1 8.882 0.04 . 1 . . . . . . . . 5892 1 11 . 1 1 3 3 GLU N N 15 125.241 0.1 . 1 . . . . . . . . 5892 1 12 . 1 1 3 3 GLU CA C 13 56.928 0.6 . 1 . . . . . . . . 5892 1 13 . 1 1 3 3 GLU HA H 1 4.227 0.04 . 1 . . . . . . . . 5892 1 14 . 1 1 3 3 GLU C C 13 176.701 0.6 . 1 . . . . . . . . 5892 1 15 . 1 1 3 3 GLU CB C 13 30.934 0.6 . 1 . . . . . . . . 5892 1 16 . 1 1 3 3 GLU HB2 H 1 1.921 0.04 . 2 . . . . . . . . 5892 1 17 . 1 1 3 3 GLU HB3 H 1 1.794 0.04 . 2 . . . . . . . . 5892 1 18 . 1 1 3 3 GLU CG C 13 36.640 0.6 . 1 . . . . . . . . 5892 1 19 . 1 1 3 3 GLU HG2 H 1 2.149 0.04 . 1 . . . . . . . . 5892 1 20 . 1 1 3 3 GLU HG3 H 1 2.149 0.04 . 1 . . . . . . . . 5892 1 21 . 1 1 3 3 GLU CD C 13 182.129 0.6 . 1 . . . . . . . . 5892 1 22 . 1 1 4 4 LYS H H 1 8.545 0.04 . 1 . . . . . . . . 5892 1 23 . 1 1 4 4 LYS N N 15 123.257 0.1 . 1 . . . . . . . . 5892 1 24 . 1 1 4 4 LYS CA C 13 56.294 0.6 . 1 . . . . . . . . 5892 1 25 . 1 1 4 4 LYS HA H 1 4.183 0.04 . 1 . . . . . . . . 5892 1 26 . 1 1 4 4 LYS C C 13 176.438 0.6 . 1 . . . . . . . . 5892 1 27 . 1 1 4 4 LYS CB C 13 33.470 0.6 . 1 . . . . . . . . 5892 1 28 . 1 1 4 4 LYS HB2 H 1 1.680 0.04 . 2 . . . . . . . . 5892 1 29 . 1 1 4 4 LYS HB3 H 1 1.589 0.04 . 2 . . . . . . . . 5892 1 30 . 1 1 4 4 LYS CG C 13 25.229 0.6 . 1 . . . . . . . . 5892 1 31 . 1 1 4 4 LYS HG2 H 1 1.289 0.04 . 1 . . . . . . . . 5892 1 32 . 1 1 4 4 LYS HG3 H 1 1.289 0.04 . 1 . . . . . . . . 5892 1 33 . 1 1 4 4 LYS CD C 13 29.666 0.6 . 1 . . . . . . . . 5892 1 34 . 1 1 4 4 LYS HD2 H 1 1.554 0.04 . 2 . . . . . . . . 5892 1 35 . 1 1 4 4 LYS HD3 H 1 1.523 0.04 . 2 . . . . . . . . 5892 1 36 . 1 1 4 4 LYS CE C 13 42.346 0.6 . 1 . . . . . . . . 5892 1 37 . 1 1 4 4 LYS HE2 H 1 2.845 0.04 . 1 . . . . . . . . 5892 1 38 . 1 1 4 4 LYS HE3 H 1 2.845 0.04 . 1 . . . . . . . . 5892 1 39 . 1 1 5 5 LEU H H 1 8.253 0.04 . 1 . . . . . . . . 5892 1 40 . 1 1 5 5 LEU N N 15 123.914 0.1 . 1 . . . . . . . . 5892 1 41 . 1 1 5 5 LEU CA C 13 55.645 0.6 . 1 . . . . . . . . 5892 1 42 . 1 1 5 5 LEU HA H 1 4.337 0.04 . 1 . . . . . . . . 5892 1 43 . 1 1 5 5 LEU C C 13 175.686 0.6 . 1 . . . . . . . . 5892 1 44 . 1 1 5 5 LEU CB C 13 43.570 0.6 . 1 . . . . . . . . 5892 1 45 . 1 1 5 5 LEU HB2 H 1 1.445 0.04 . 1 . . . . . . . . 5892 1 46 . 1 1 5 5 LEU HB3 H 1 1.445 0.04 . 1 . . . . . . . . 5892 1 47 . 1 1 5 5 LEU CG C 13 27.764 0.6 . 1 . . . . . . . . 5892 1 48 . 1 1 5 5 LEU CD1 C 13 25.224 0.6 . 2 . . . . . . . . 5892 1 49 . 1 1 5 5 LEU HD11 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 50 . 1 1 5 5 LEU HD12 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 51 . 1 1 5 5 LEU HD13 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 52 . 1 1 5 5 LEU CD2 C 13 24.578 0.6 . 2 . . . . . . . . 5892 1 53 . 1 1 5 5 LEU HD21 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 54 . 1 1 5 5 LEU HD22 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 55 . 1 1 5 5 LEU HD23 H 1 0.703 0.04 . 1 . . . . . . . . 5892 1 56 . 1 1 5 5 LEU HG H 1 1.445 0.04 . 1 . . . . . . . . 5892 1 57 . 1 1 6 6 ASN H H 1 8.540 0.04 . 1 . . . . . . . . 5892 1 58 . 1 1 6 6 ASN N N 15 119.299 0.1 . 1 . . . . . . . . 5892 1 59 . 1 1 6 6 ASN CA C 13 53.758 0.6 . 1 . . . . . . . . 5892 1 60 . 1 1 6 6 ASN HA H 1 4.514 0.04 . 1 . . . . . . . . 5892 1 61 . 1 1 6 6 ASN C C 13 179.579 0.6 . 1 . . . . . . . . 5892 1 62 . 1 1 6 6 ASN CB C 13 40.444 0.6 . 1 . . . . . . . . 5892 1 63 . 1 1 6 6 ASN HB2 H 1 2.930 0.04 . 2 . . . . . . . . 5892 1 64 . 1 1 6 6 ASN HB3 H 1 2.381 0.04 . 2 . . . . . . . . 5892 1 65 . 1 1 7 7 GLU H H 1 7.957 0.04 . 1 . . . . . . . . 5892 1 66 . 1 1 7 7 GLU N N 15 121.029 0.1 . 1 . . . . . . . . 5892 1 67 . 1 1 7 7 GLU CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 68 . 1 1 7 7 GLU HA H 1 5.084 0.04 . 1 . . . . . . . . 5892 1 69 . 1 1 7 7 GLU C C 13 177.297 0.6 . 1 . . . . . . . . 5892 1 70 . 1 1 7 7 GLU CB C 13 32.836 0.6 . 1 . . . . . . . . 5892 1 71 . 1 1 7 7 GLU HB2 H 1 1.752 0.04 . 2 . . . . . . . . 5892 1 72 . 1 1 7 7 GLU HB3 H 1 1.669 0.04 . 2 . . . . . . . . 5892 1 73 . 1 1 7 7 GLU CG C 13 36.006 0.6 . 1 . . . . . . . . 5892 1 74 . 1 1 7 7 GLU HG2 H 1 1.875 0.04 . 2 . . . . . . . . 5892 1 75 . 1 1 7 7 GLU HG3 H 1 1.870 0.04 . 2 . . . . . . . . 5892 1 76 . 1 1 8 8 ILE H H 1 9.223 0.04 . 1 . . . . . . . . 5892 1 77 . 1 1 8 8 ILE N N 15 128.251 0.1 . 1 . . . . . . . . 5892 1 78 . 1 1 8 8 ILE CA C 13 60.097 0.6 . 1 . . . . . . . . 5892 1 79 . 1 1 8 8 ILE HA H 1 4.144 0.04 . 1 . . . . . . . . 5892 1 80 . 1 1 8 8 ILE C C 13 178.219 0.6 . 1 . . . . . . . . 5892 1 81 . 1 1 8 8 ILE CB C 13 39.786 0.6 . 1 . . . . . . . . 5892 1 82 . 1 1 8 8 ILE HB H 1 1.602 0.04 . 1 . . . . . . . . 5892 1 83 . 1 1 8 8 ILE CG2 C 13 16.987 0.6 . 2 . . . . . . . . 5892 1 84 . 1 1 8 8 ILE HG21 H 1 0.670 0.04 . 1 . . . . . . . . 5892 1 85 . 1 1 8 8 ILE HG22 H 1 0.670 0.04 . 1 . . . . . . . . 5892 1 86 . 1 1 8 8 ILE HG23 H 1 0.670 0.04 . 1 . . . . . . . . 5892 1 87 . 1 1 8 8 ILE CG1 C 13 27.764 0.6 . 2 . . . . . . . . 5892 1 88 . 1 1 8 8 ILE HG12 H 1 1.096 0.04 . 2 . . . . . . . . 5892 1 89 . 1 1 8 8 ILE HG13 H 1 1.013 0.04 . 2 . . . . . . . . 5892 1 90 . 1 1 8 8 ILE CD1 C 13 13.817 0.6 . 1 . . . . . . . . 5892 1 91 . 1 1 8 8 ILE HD11 H 1 0.582 0.04 . 1 . . . . . . . . 5892 1 92 . 1 1 8 8 ILE HD12 H 1 0.582 0.04 . 1 . . . . . . . . 5892 1 93 . 1 1 8 8 ILE HD13 H 1 0.582 0.04 . 1 . . . . . . . . 5892 1 94 . 1 1 9 9 VAL H H 1 8.431 0.04 . 1 . . . . . . . . 5892 1 95 . 1 1 9 9 VAL N N 15 128.114 0.1 . 1 . . . . . . . . 5892 1 96 . 1 1 9 9 VAL CA C 13 61.999 0.6 . 1 . . . . . . . . 5892 1 97 . 1 1 9 9 VAL HA H 1 4.295 0.04 . 1 . . . . . . . . 5892 1 98 . 1 1 9 9 VAL C C 13 176.536 0.6 . 1 . . . . . . . . 5892 1 99 . 1 1 9 9 VAL CB C 13 32.202 0.6 . 1 . . . . . . . . 5892 1 100 . 1 1 9 9 VAL HB H 1 1.774 0.04 . 1 . . . . . . . . 5892 1 101 . 1 1 9 9 VAL CG1 C 13 22.060 0.6 . 2 . . . . . . . . 5892 1 102 . 1 1 9 9 VAL HG11 H 1 0.742 0.04 . 2 . . . . . . . . 5892 1 103 . 1 1 9 9 VAL HG12 H 1 0.742 0.04 . 2 . . . . . . . . 5892 1 104 . 1 1 9 9 VAL HG13 H 1 0.742 0.04 . 2 . . . . . . . . 5892 1 105 . 1 1 9 9 VAL CG2 C 13 22.055 0.6 . 2 . . . . . . . . 5892 1 106 . 1 1 9 9 VAL HG21 H 1 0.702 0.04 . 2 . . . . . . . . 5892 1 107 . 1 1 9 9 VAL HG22 H 1 0.702 0.04 . 2 . . . . . . . . 5892 1 108 . 1 1 9 9 VAL HG23 H 1 0.702 0.04 . 2 . . . . . . . . 5892 1 109 . 1 1 10 10 VAL H H 1 8.785 0.04 . 1 . . . . . . . . 5892 1 110 . 1 1 10 10 VAL N N 15 127.539 0.1 . 1 . . . . . . . . 5892 1 111 . 1 1 10 10 VAL CA C 13 62.633 0.6 . 1 . . . . . . . . 5892 1 112 . 1 1 10 10 VAL HA H 1 3.869 0.04 . 1 . . . . . . . . 5892 1 113 . 1 1 10 10 VAL C C 13 176.822 0.6 . 1 . . . . . . . . 5892 1 114 . 1 1 10 10 VAL CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 115 . 1 1 10 10 VAL HB H 1 1.697 0.04 . 1 . . . . . . . . 5892 1 116 . 1 1 10 10 VAL CG1 C 13 22.060 0.6 . 2 . . . . . . . . 5892 1 117 . 1 1 10 10 VAL HG11 H 1 0.540 0.04 . 2 . . . . . . . . 5892 1 118 . 1 1 10 10 VAL HG12 H 1 0.540 0.04 . 2 . . . . . . . . 5892 1 119 . 1 1 10 10 VAL HG13 H 1 0.540 0.04 . 2 . . . . . . . . 5892 1 120 . 1 1 10 10 VAL CG2 C 13 22.080 0.6 . 2 . . . . . . . . 5892 1 121 . 1 1 10 10 VAL HG21 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 122 . 1 1 10 10 VAL HG22 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 123 . 1 1 10 10 VAL HG23 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 124 . 1 1 11 11 ARG H H 1 10.313 0.04 . 1 . . . . . . . . 5892 1 125 . 1 1 11 11 ARG N N 15 128.332 0.1 . 1 . . . . . . . . 5892 1 126 . 1 1 11 11 ARG CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 127 . 1 1 11 11 ARG HA H 1 4.683 0.04 . 1 . . . . . . . . 5892 1 128 . 1 1 11 11 ARG C C 13 174.653 0.6 . 1 . . . . . . . . 5892 1 129 . 1 1 11 11 ARG CB C 13 34.104 0.6 . 1 . . . . . . . . 5892 1 130 . 1 1 11 11 ARG HB2 H 1 2.033 0.04 . 2 . . . . . . . . 5892 1 131 . 1 1 11 11 ARG HB3 H 1 1.917 0.04 . 2 . . . . . . . . 5892 1 132 . 1 1 11 11 ARG CG C 13 27.764 0.6 . 1 . . . . . . . . 5892 1 133 . 1 1 11 11 ARG HG2 H 1 1.719 0.04 . 1 . . . . . . . . 5892 1 134 . 1 1 11 11 ARG HG3 H 1 1.719 0.04 . 1 . . . . . . . . 5892 1 135 . 1 1 11 11 ARG CD C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 136 . 1 1 11 11 ARG HD2 H 1 3.007 0.04 . 1 . . . . . . . . 5892 1 137 . 1 1 11 11 ARG HD3 H 1 3.007 0.04 . 1 . . . . . . . . 5892 1 138 . 1 1 12 12 LYS H H 1 9.064 0.04 . 1 . . . . . . . . 5892 1 139 . 1 1 12 12 LYS N N 15 122.672 0.1 . 1 . . . . . . . . 5892 1 140 . 1 1 12 12 LYS CA C 13 60.005 0.6 . 1 . . . . . . . . 5892 1 141 . 1 1 12 12 LYS HA H 1 3.830 0.04 . 1 . . . . . . . . 5892 1 142 . 1 1 12 12 LYS C C 13 174.830 0.6 . 1 . . . . . . . . 5892 1 143 . 1 1 12 12 LYS CB C 13 33.789 0.6 . 1 . . . . . . . . 5892 1 144 . 1 1 12 12 LYS HB2 H 1 1.802 0.04 . 2 . . . . . . . . 5892 1 145 . 1 1 12 12 LYS HB3 H 1 1.677 0.04 . 2 . . . . . . . . 5892 1 146 . 1 1 12 12 LYS CG C 13 25.233 0.6 . 1 . . . . . . . . 5892 1 147 . 1 1 12 12 LYS HG2 H 1 1.350 0.04 . 2 . . . . . . . . 5892 1 148 . 1 1 12 12 LYS HG3 H 1 1.254 0.04 . 2 . . . . . . . . 5892 1 149 . 1 1 12 12 LYS CD C 13 29.887 0.6 . 1 . . . . . . . . 5892 1 150 . 1 1 12 12 LYS HD2 H 1 1.599 0.04 . 1 . . . . . . . . 5892 1 151 . 1 1 12 12 LYS HD3 H 1 1.599 0.04 . 1 . . . . . . . . 5892 1 152 . 1 1 12 12 LYS CE C 13 42.440 0.6 . 1 . . . . . . . . 5892 1 153 . 1 1 12 12 LYS HE2 H 1 2.892 0.04 . 2 . . . . . . . . 5892 1 154 . 1 1 12 12 LYS HE3 H 1 2.893 0.04 . 2 . . . . . . . . 5892 1 155 . 1 1 13 13 THR H H 1 7.418 0.04 . 1 . . . . . . . . 5892 1 156 . 1 1 13 13 THR N N 15 104.142 0.1 . 1 . . . . . . . . 5892 1 157 . 1 1 13 13 THR CA C 13 62.633 0.6 . 1 . . . . . . . . 5892 1 158 . 1 1 13 13 THR HA H 1 4.020 0.04 . 1 . . . . . . . . 5892 1 159 . 1 1 13 13 THR C C 13 178.631 0.6 . 1 . . . . . . . . 5892 1 160 . 1 1 13 13 THR CB C 13 68.884 0.6 . 1 . . . . . . . . 5892 1 161 . 1 1 13 13 THR HB H 1 4.372 0.04 . 1 . . . . . . . . 5892 1 162 . 1 1 13 13 THR CG2 C 13 22.693 0.6 . 1 . . . . . . . . 5892 1 163 . 1 1 13 13 THR HG21 H 1 1.094 0.04 . 1 . . . . . . . . 5892 1 164 . 1 1 13 13 THR HG22 H 1 1.094 0.04 . 1 . . . . . . . . 5892 1 165 . 1 1 13 13 THR HG23 H 1 1.094 0.04 . 1 . . . . . . . . 5892 1 166 . 1 1 14 14 LYS H H 1 6.923 0.04 . 1 . . . . . . . . 5892 1 167 . 1 1 14 14 LYS N N 15 121.192 0.1 . 1 . . . . . . . . 5892 1 168 . 1 1 14 14 LYS CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 169 . 1 1 14 14 LYS HA H 1 4.459 0.04 . 1 . . . . . . . . 5892 1 170 . 1 1 14 14 LYS C C 13 176.951 0.6 . 1 . . . . . . . . 5892 1 171 . 1 1 14 14 LYS CB C 13 35.372 0.6 . 1 . . . . . . . . 5892 1 172 . 1 1 14 14 LYS HB2 H 1 1.388 0.04 . 2 . . . . . . . . 5892 1 173 . 1 1 14 14 LYS HB3 H 1 1.330 0.04 . 2 . . . . . . . . 5892 1 174 . 1 1 14 14 LYS CG C 13 25.229 0.6 . 1 . . . . . . . . 5892 1 175 . 1 1 14 14 LYS HG2 H 1 1.134 0.04 . 2 . . . . . . . . 5892 1 176 . 1 1 14 14 LYS HG3 H 1 1.055 0.04 . 2 . . . . . . . . 5892 1 177 . 1 1 14 14 LYS CD C 13 29.666 0.6 . 1 . . . . . . . . 5892 1 178 . 1 1 14 14 LYS HD2 H 1 1.055 0.04 . 2 . . . . . . . . 5892 1 179 . 1 1 14 14 LYS HD3 H 1 0.977 0.04 . 2 . . . . . . . . 5892 1 180 . 1 1 14 14 LYS CE C 13 41.712 0.6 . 1 . . . . . . . . 5892 1 181 . 1 1 14 14 LYS HE2 H 1 2.453 0.04 . 2 . . . . . . . . 5892 1 182 . 1 1 14 14 LYS HE3 H 1 2.327 0.04 . 2 . . . . . . . . 5892 1 183 . 1 1 15 15 ASN H H 1 9.188 0.04 . 1 . . . . . . . . 5892 1 184 . 1 1 15 15 ASN N N 15 123.149 0.1 . 1 . . . . . . . . 5892 1 185 . 1 1 15 15 ASN CA C 13 53.124 0.6 . 1 . . . . . . . . 5892 1 186 . 1 1 15 15 ASN HA H 1 4.648 0.04 . 1 . . . . . . . . 5892 1 187 . 1 1 15 15 ASN C C 13 175.140 0.6 . 1 . . . . . . . . 5892 1 188 . 1 1 15 15 ASN CB C 13 39.176 0.6 . 1 . . . . . . . . 5892 1 189 . 1 1 15 15 ASN HB2 H 1 3.049 0.04 . 2 . . . . . . . . 5892 1 190 . 1 1 15 15 ASN HB3 H 1 2.855 0.04 . 2 . . . . . . . . 5892 1 191 . 1 1 16 16 VAL H H 1 8.772 0.04 . 1 . . . . . . . . 5892 1 192 . 1 1 16 16 VAL N N 15 122.081 0.1 . 1 . . . . . . . . 5892 1 193 . 1 1 16 16 VAL CA C 13 68.973 0.6 . 1 . . . . . . . . 5892 1 194 . 1 1 16 16 VAL HA H 1 3.322 0.04 . 1 . . . . . . . . 5892 1 195 . 1 1 16 16 VAL C C 13 174.664 0.6 . 1 . . . . . . . . 5892 1 196 . 1 1 16 16 VAL CB C 13 32.836 0.6 . 1 . . . . . . . . 5892 1 197 . 1 1 16 16 VAL HB H 1 1.956 0.04 . 1 . . . . . . . . 5892 1 198 . 1 1 16 16 VAL CG1 C 13 25.229 0.6 . 2 . . . . . . . . 5892 1 199 . 1 1 16 16 VAL HG11 H 1 1.023 0.04 . 2 . . . . . . . . 5892 1 200 . 1 1 16 16 VAL HG12 H 1 1.023 0.04 . 2 . . . . . . . . 5892 1 201 . 1 1 16 16 VAL HG13 H 1 1.023 0.04 . 2 . . . . . . . . 5892 1 202 . 1 1 16 16 VAL CG2 C 13 21.425 0.6 . 2 . . . . . . . . 5892 1 203 . 1 1 16 16 VAL HG21 H 1 0.724 0.04 . 2 . . . . . . . . 5892 1 204 . 1 1 16 16 VAL HG22 H 1 0.724 0.04 . 2 . . . . . . . . 5892 1 205 . 1 1 16 16 VAL HG23 H 1 0.724 0.04 . 2 . . . . . . . . 5892 1 206 . 1 1 17 17 GLU H H 1 8.873 0.04 . 1 . . . . . . . . 5892 1 207 . 1 1 17 17 GLU N N 15 118.997 0.1 . 1 . . . . . . . . 5892 1 208 . 1 1 17 17 GLU CA C 13 60.040 0.6 . 1 . . . . . . . . 5892 1 209 . 1 1 17 17 GLU HA H 1 3.791 0.04 . 1 . . . . . . . . 5892 1 210 . 1 1 17 17 GLU C C 13 174.194 0.6 . 1 . . . . . . . . 5892 1 211 . 1 1 17 17 GLU CB C 13 29.012 0.6 . 1 . . . . . . . . 5892 1 212 . 1 1 17 17 GLU HB2 H 1 1.882 0.04 . 2 . . . . . . . . 5892 1 213 . 1 1 17 17 GLU HB3 H 1 1.799 0.04 . 2 . . . . . . . . 5892 1 214 . 1 1 17 17 GLU CG C 13 36.640 0.6 . 1 . . . . . . . . 5892 1 215 . 1 1 17 17 GLU HG2 H 1 2.236 0.04 . 2 . . . . . . . . 5892 1 216 . 1 1 17 17 GLU HG3 H 1 2.141 0.04 . 2 . . . . . . . . 5892 1 217 . 1 1 17 17 GLU CD C 13 182.068 0.6 . 1 . . . . . . . . 5892 1 218 . 1 1 18 18 ASP H H 1 8.198 0.04 . 1 . . . . . . . . 5892 1 219 . 1 1 18 18 ASP N N 15 118.845 0.1 . 1 . . . . . . . . 5892 1 220 . 1 1 18 18 ASP CA C 13 57.562 0.6 . 1 . . . . . . . . 5892 1 221 . 1 1 18 18 ASP HA H 1 4.263 0.04 . 1 . . . . . . . . 5892 1 222 . 1 1 18 18 ASP C C 13 173.463 0.6 . 1 . . . . . . . . 5892 1 223 . 1 1 18 18 ASP CB C 13 35.054 0.6 . 1 . . . . . . . . 5892 1 224 . 1 1 18 18 ASP HB2 H 1 2.458 0.04 . 2 . . . . . . . . 5892 1 225 . 1 1 18 18 ASP HB3 H 1 2.344 0.04 . 2 . . . . . . . . 5892 1 226 . 1 1 19 19 HIS H H 1 7.509 0.04 . 1 . . . . . . . . 5892 1 227 . 1 1 19 19 HIS N N 15 116.240 0.1 . 1 . . . . . . . . 5892 1 228 . 1 1 19 19 HIS CA C 13 61.365 0.6 . 1 . . . . . . . . 5892 1 229 . 1 1 19 19 HIS HA H 1 4.262 0.04 . 1 . . . . . . . . 5892 1 230 . 1 1 19 19 HIS C C 13 175.195 0.6 . 1 . . . . . . . . 5892 1 231 . 1 1 19 19 HIS CB C 13 30.300 0.6 . 1 . . . . . . . . 5892 1 232 . 1 1 19 19 HIS HB2 H 1 3.215 0.04 . 2 . . . . . . . . 5892 1 233 . 1 1 19 19 HIS HB3 H 1 2.736 0.04 . 2 . . . . . . . . 5892 1 234 . 1 1 20 20 VAL H H 1 8.129 0.04 . 1 . . . . . . . . 5892 1 235 . 1 1 20 20 VAL N N 15 120.238 0.1 . 1 . . . . . . . . 5892 1 236 . 1 1 20 20 VAL CA C 13 67.705 0.6 . 1 . . . . . . . . 5892 1 237 . 1 1 20 20 VAL HA H 1 3.120 0.04 . 1 . . . . . . . . 5892 1 238 . 1 1 20 20 VAL C C 13 174.742 0.6 . 1 . . . . . . . . 5892 1 239 . 1 1 20 20 VAL CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 240 . 1 1 20 20 VAL HB H 1 2.260 0.04 . 1 . . . . . . . . 5892 1 241 . 1 1 20 20 VAL CG1 C 13 24.595 0.6 . 2 . . . . . . . . 5892 1 242 . 1 1 20 20 VAL HG11 H 1 1.011 0.04 . 2 . . . . . . . . 5892 1 243 . 1 1 20 20 VAL HG12 H 1 1.011 0.04 . 2 . . . . . . . . 5892 1 244 . 1 1 20 20 VAL HG13 H 1 1.011 0.04 . 2 . . . . . . . . 5892 1 245 . 1 1 20 20 VAL CG2 C 13 21.425 0.6 . 2 . . . . . . . . 5892 1 246 . 1 1 20 20 VAL HG21 H 1 0.665 0.04 . 2 . . . . . . . . 5892 1 247 . 1 1 20 20 VAL HG22 H 1 0.665 0.04 . 2 . . . . . . . . 5892 1 248 . 1 1 20 20 VAL HG23 H 1 0.665 0.04 . 2 . . . . . . . . 5892 1 249 . 1 1 21 21 LEU H H 1 7.859 0.04 . 1 . . . . . . . . 5892 1 250 . 1 1 21 21 LEU N N 15 118.065 0.1 . 1 . . . . . . . . 5892 1 251 . 1 1 21 21 LEU CA C 13 58.829 0.6 . 1 . . . . . . . . 5892 1 252 . 1 1 21 21 LEU HA H 1 3.801 0.04 . 1 . . . . . . . . 5892 1 253 . 1 1 21 21 LEU C C 13 173.896 0.6 . 1 . . . . . . . . 5892 1 254 . 1 1 21 21 LEU CB C 13 41.078 0.6 . 1 . . . . . . . . 5892 1 255 . 1 1 21 21 LEU HB2 H 1 1.664 0.04 . 2 . . . . . . . . 5892 1 256 . 1 1 21 21 LEU HB3 H 1 1.526 0.04 . 2 . . . . . . . . 5892 1 257 . 1 1 21 21 LEU CG C 13 27.764 0.6 . 1 . . . . . . . . 5892 1 258 . 1 1 21 21 LEU CD1 C 13 25.229 0.6 . 2 . . . . . . . . 5892 1 259 . 1 1 21 21 LEU HD11 H 1 0.780 0.04 . 2 . . . . . . . . 5892 1 260 . 1 1 21 21 LEU HD12 H 1 0.780 0.04 . 2 . . . . . . . . 5892 1 261 . 1 1 21 21 LEU HD13 H 1 0.780 0.04 . 2 . . . . . . . . 5892 1 262 . 1 1 21 21 LEU CD2 C 13 23.961 0.6 . 2 . . . . . . . . 5892 1 263 . 1 1 21 21 LEU HD21 H 1 0.707 0.04 . 2 . . . . . . . . 5892 1 264 . 1 1 21 21 LEU HD22 H 1 0.707 0.04 . 2 . . . . . . . . 5892 1 265 . 1 1 21 21 LEU HD23 H 1 0.707 0.04 . 2 . . . . . . . . 5892 1 266 . 1 1 21 21 LEU HG H 1 1.680 0.04 . 1 . . . . . . . . 5892 1 267 . 1 1 22 22 ASP H H 1 7.566 0.04 . 1 . . . . . . . . 5892 1 268 . 1 1 22 22 ASP N N 15 118.222 0.1 . 1 . . . . . . . . 5892 1 269 . 1 1 22 22 ASP CA C 13 58.196 0.6 . 1 . . . . . . . . 5892 1 270 . 1 1 22 22 ASP HA H 1 4.104 0.04 . 1 . . . . . . . . 5892 1 271 . 1 1 22 22 ASP C C 13 173.480 0.6 . 1 . . . . . . . . 5892 1 272 . 1 1 22 22 ASP CB C 13 41.078 0.6 . 1 . . . . . . . . 5892 1 273 . 1 1 22 22 ASP HB2 H 1 2.891 0.04 . 2 . . . . . . . . 5892 1 274 . 1 1 22 22 ASP HB3 H 1 2.389 0.04 . 2 . . . . . . . . 5892 1 275 . 1 1 23 23 VAL H H 1 7.609 0.04 . 1 . . . . . . . . 5892 1 276 . 1 1 23 23 VAL N N 15 119.315 0.1 . 1 . . . . . . . . 5892 1 277 . 1 1 23 23 VAL CA C 13 67.068 0.6 . 1 . . . . . . . . 5892 1 278 . 1 1 23 23 VAL HA H 1 3.045 0.04 . 1 . . . . . . . . 5892 1 279 . 1 1 23 23 VAL C C 13 175.957 0.6 . 1 . . . . . . . . 5892 1 280 . 1 1 23 23 VAL CB C 13 31.562 0.6 . 1 . . . . . . . . 5892 1 281 . 1 1 23 23 VAL HB H 1 1.916 0.04 . 1 . . . . . . . . 5892 1 282 . 1 1 23 23 VAL CG1 C 13 23.327 0.6 . 1 . . . . . . . . 5892 1 283 . 1 1 23 23 VAL HG11 H 1 0.699 0.04 . 2 . . . . . . . . 5892 1 284 . 1 1 23 23 VAL HG12 H 1 0.699 0.04 . 2 . . . . . . . . 5892 1 285 . 1 1 23 23 VAL HG13 H 1 0.699 0.04 . 2 . . . . . . . . 5892 1 286 . 1 1 23 23 VAL CG2 C 13 23.327 0.6 . 1 . . . . . . . . 5892 1 287 . 1 1 24 24 ILE H H 1 7.889 0.04 . 1 . . . . . . . . 5892 1 288 . 1 1 24 24 ILE N N 15 119.838 0.1 . 1 . . . . . . . . 5892 1 289 . 1 1 24 24 ILE CA C 13 65.803 0.6 . 1 . . . . . . . . 5892 1 290 . 1 1 24 24 ILE HA H 1 3.369 0.04 . 1 . . . . . . . . 5892 1 291 . 1 1 24 24 ILE C C 13 174.478 0.6 . 1 . . . . . . . . 5892 1 292 . 1 1 24 24 ILE CB C 13 37.988 0.6 . 1 . . . . . . . . 5892 1 293 . 1 1 24 24 ILE HB H 1 1.832 0.04 . 1 . . . . . . . . 5892 1 294 . 1 1 24 24 ILE CG2 C 13 17.621 0.6 . 2 . . . . . . . . 5892 1 295 . 1 1 24 24 ILE HG21 H 1 0.820 0.04 . 1 . . . . . . . . 5892 1 296 . 1 1 24 24 ILE HG22 H 1 0.820 0.04 . 1 . . . . . . . . 5892 1 297 . 1 1 24 24 ILE HG23 H 1 0.820 0.04 . 1 . . . . . . . . 5892 1 298 . 1 1 24 24 ILE CG1 C 13 30.300 0.6 . 2 . . . . . . . . 5892 1 299 . 1 1 24 24 ILE HG12 H 1 1.555 0.04 . 2 . . . . . . . . 5892 1 300 . 1 1 24 24 ILE HG13 H 1 1.021 0.04 . 2 . . . . . . . . 5892 1 301 . 1 1 24 24 ILE CD1 C 13 13.817 0.6 . 1 . . . . . . . . 5892 1 302 . 1 1 24 24 ILE HD11 H 1 0.652 0.04 . 1 . . . . . . . . 5892 1 303 . 1 1 24 24 ILE HD12 H 1 0.652 0.04 . 1 . . . . . . . . 5892 1 304 . 1 1 24 24 ILE HD13 H 1 0.652 0.04 . 1 . . . . . . . . 5892 1 305 . 1 1 25 25 VAL H H 1 8.438 0.04 . 1 . . . . . . . . 5892 1 306 . 1 1 25 25 VAL N N 15 119.489 0.1 . 1 . . . . . . . . 5892 1 307 . 1 1 25 25 VAL CA C 13 67.705 0.6 . 1 . . . . . . . . 5892 1 308 . 1 1 25 25 VAL HA H 1 3.500 0.04 . 1 . . . . . . . . 5892 1 309 . 1 1 25 25 VAL C C 13 173.323 0.6 . 1 . . . . . . . . 5892 1 310 . 1 1 25 25 VAL CB C 13 32.202 0.6 . 1 . . . . . . . . 5892 1 311 . 1 1 25 25 VAL HB H 1 2.030 0.04 . 1 . . . . . . . . 5892 1 312 . 1 1 25 25 VAL CG1 C 13 23.961 0.6 . 2 . . . . . . . . 5892 1 313 . 1 1 25 25 VAL HG11 H 1 0.941 0.04 . 2 . . . . . . . . 5892 1 314 . 1 1 25 25 VAL HG12 H 1 0.941 0.04 . 2 . . . . . . . . 5892 1 315 . 1 1 25 25 VAL HG13 H 1 0.941 0.04 . 2 . . . . . . . . 5892 1 316 . 1 1 25 25 VAL CG2 C 13 21.425 0.6 . 2 . . . . . . . . 5892 1 317 . 1 1 25 25 VAL HG21 H 1 0.770 0.04 . 2 . . . . . . . . 5892 1 318 . 1 1 25 25 VAL HG22 H 1 0.770 0.04 . 2 . . . . . . . . 5892 1 319 . 1 1 25 25 VAL HG23 H 1 0.770 0.04 . 2 . . . . . . . . 5892 1 320 . 1 1 26 26 LEU H H 1 7.134 0.04 . 1 . . . . . . . . 5892 1 321 . 1 1 26 26 LEU N N 15 119.869 0.1 . 1 . . . . . . . . 5892 1 322 . 1 1 26 26 LEU CA C 13 58.829 0.6 . 1 . . . . . . . . 5892 1 323 . 1 1 26 26 LEU HA H 1 3.945 0.04 . 1 . . . . . . . . 5892 1 324 . 1 1 26 26 LEU C C 13 172.378 0.6 . 1 . . . . . . . . 5892 1 325 . 1 1 26 26 LEU CB C 13 41.123 0.6 . 1 . . . . . . . . 5892 1 326 . 1 1 26 26 LEU HB2 H 1 1.799 0.04 . 2 . . . . . . . . 5892 1 327 . 1 1 26 26 LEU HB3 H 1 1.135 0.04 . 2 . . . . . . . . 5892 1 328 . 1 1 26 26 LEU CD1 C 13 27.131 0.6 . 2 . . . . . . . . 5892 1 329 . 1 1 26 26 LEU HD11 H 1 0.673 0.04 . 2 . . . . . . . . 5892 1 330 . 1 1 26 26 LEU HD12 H 1 0.673 0.04 . 2 . . . . . . . . 5892 1 331 . 1 1 26 26 LEU HD13 H 1 0.673 0.04 . 2 . . . . . . . . 5892 1 332 . 1 1 26 26 LEU CD2 C 13 23.327 0.6 . 2 . . . . . . . . 5892 1 333 . 1 1 26 26 LEU HD21 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 334 . 1 1 26 26 LEU HD22 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 335 . 1 1 26 26 LEU HD23 H 1 0.354 0.04 . 2 . . . . . . . . 5892 1 336 . 1 1 26 26 LEU HG H 1 1.683 0.04 . 1 . . . . . . . . 5892 1 337 . 1 1 27 27 PHE H H 1 8.457 0.04 . 1 . . . . . . . . 5892 1 338 . 1 1 27 27 PHE N N 15 119.787 0.1 . 1 . . . . . . . . 5892 1 339 . 1 1 27 27 PHE CA C 13 57.132 0.6 . 1 . . . . . . . . 5892 1 340 . 1 1 27 27 PHE HA H 1 5.046 0.04 . 1 . . . . . . . . 5892 1 341 . 1 1 27 27 PHE C C 13 171.160 0.6 . 1 . . . . . . . . 5892 1 342 . 1 1 27 27 PHE CB C 13 37.789 0.6 . 1 . . . . . . . . 5892 1 343 . 1 1 27 27 PHE HB2 H 1 3.300 0.04 . 2 . . . . . . . . 5892 1 344 . 1 1 27 27 PHE HB3 H 1 3.012 0.04 . 2 . . . . . . . . 5892 1 345 . 1 1 27 27 PHE CD1 C 13 130.104 0.6 . 1 . . . . . . . . 5892 1 346 . 1 1 27 27 PHE HD1 H 1 7.400 0.04 . 2 . . . . . . . . 5892 1 347 . 1 1 27 27 PHE CD2 C 13 130.104 0.6 . 1 . . . . . . . . 5892 1 348 . 1 1 27 27 PHE HD2 H 1 7.398 0.04 . 2 . . . . . . . . 5892 1 349 . 1 1 27 27 PHE CE1 C 13 130.514 0.6 . 1 . . . . . . . . 5892 1 350 . 1 1 27 27 PHE HE1 H 1 6.891 0.04 . 2 . . . . . . . . 5892 1 351 . 1 1 27 27 PHE CE2 C 13 130.514 0.6 . 1 . . . . . . . . 5892 1 352 . 1 1 27 27 PHE HE2 H 1 6.890 0.04 . 2 . . . . . . . . 5892 1 353 . 1 1 27 27 PHE CZ C 13 117.510 0.6 . 1 . . . . . . . . 5892 1 354 . 1 1 27 27 PHE HZ H 1 6.665 0.04 . 1 . . . . . . . . 5892 1 355 . 1 1 28 28 ASN H H 1 8.982 0.04 . 1 . . . . . . . . 5892 1 356 . 1 1 28 28 ASN N N 15 119.145 0.1 . 1 . . . . . . . . 5892 1 357 . 1 1 28 28 ASN CA C 13 55.404 0.6 . 1 . . . . . . . . 5892 1 358 . 1 1 28 28 ASN HA H 1 4.502 0.04 . 1 . . . . . . . . 5892 1 359 . 1 1 28 28 ASN C C 13 175.530 0.6 . 1 . . . . . . . . 5892 1 360 . 1 1 28 28 ASN CB C 13 38.235 0.6 . 1 . . . . . . . . 5892 1 361 . 1 1 28 28 ASN HB2 H 1 2.927 0.04 . 2 . . . . . . . . 5892 1 362 . 1 1 28 28 ASN HB3 H 1 2.816 0.04 . 2 . . . . . . . . 5892 1 363 . 1 1 29 29 GLN H H 1 7.936 0.04 . 1 . . . . . . . . 5892 1 364 . 1 1 29 29 GLN N N 15 119.059 0.1 . 1 . . . . . . . . 5892 1 365 . 1 1 29 29 GLN CA C 13 56.294 0.6 . 1 . . . . . . . . 5892 1 366 . 1 1 29 29 GLN HA H 1 4.340 0.04 . 1 . . . . . . . . 5892 1 367 . 1 1 29 29 GLN C C 13 176.289 0.6 . 1 . . . . . . . . 5892 1 368 . 1 1 29 29 GLN CB C 13 29.666 0.6 . 1 . . . . . . . . 5892 1 369 . 1 1 29 29 GLN HB2 H 1 2.227 0.04 . 2 . . . . . . . . 5892 1 370 . 1 1 29 29 GLN HB3 H 1 2.192 0.04 . 2 . . . . . . . . 5892 1 371 . 1 1 29 29 GLN CG C 13 34.738 0.6 . 1 . . . . . . . . 5892 1 372 . 1 1 29 29 GLN HG2 H 1 2.486 0.04 . 2 . . . . . . . . 5892 1 373 . 1 1 29 29 GLN HG3 H 1 2.409 0.04 . 2 . . . . . . . . 5892 1 374 . 1 1 30 30 GLY H H 1 8.034 0.04 . 1 . . . . . . . . 5892 1 375 . 1 1 30 30 GLY N N 15 107.258 0.1 . 1 . . . . . . . . 5892 1 376 . 1 1 30 30 GLY CA C 13 45.722 0.6 . 1 . . . . . . . . 5892 1 377 . 1 1 30 30 GLY HA2 H 1 4.160 0.04 . 2 . . . . . . . . 5892 1 378 . 1 1 30 30 GLY HA3 H 1 3.581 0.04 . 2 . . . . . . . . 5892 1 379 . 1 1 30 30 GLY C C 13 178.404 0.6 . 1 . . . . . . . . 5892 1 380 . 1 1 31 31 ILE H H 1 7.575 0.04 . 1 . . . . . . . . 5892 1 381 . 1 1 31 31 ILE N N 15 123.392 0.1 . 1 . . . . . . . . 5892 1 382 . 1 1 31 31 ILE CA C 13 61.365 0.6 . 1 . . . . . . . . 5892 1 383 . 1 1 31 31 ILE HA H 1 3.983 0.04 . 1 . . . . . . . . 5892 1 384 . 1 1 31 31 ILE C C 13 177.652 0.6 . 1 . . . . . . . . 5892 1 385 . 1 1 31 31 ILE CB C 13 36.640 0.6 . 1 . . . . . . . . 5892 1 386 . 1 1 31 31 ILE HB H 1 1.728 0.04 . 1 . . . . . . . . 5892 1 387 . 1 1 31 31 ILE CG2 C 13 19.523 0.6 . 2 . . . . . . . . 5892 1 388 . 1 1 31 31 ILE HG21 H 1 0.853 0.04 . 1 . . . . . . . . 5892 1 389 . 1 1 31 31 ILE HG22 H 1 0.853 0.04 . 1 . . . . . . . . 5892 1 390 . 1 1 31 31 ILE HG23 H 1 0.853 0.04 . 1 . . . . . . . . 5892 1 391 . 1 1 31 31 ILE CG1 C 13 28.398 0.6 . 2 . . . . . . . . 5892 1 392 . 1 1 31 31 ILE HG12 H 1 1.292 0.04 . 2 . . . . . . . . 5892 1 393 . 1 1 31 31 ILE HG13 H 1 1.129 0.04 . 2 . . . . . . . . 5892 1 394 . 1 1 31 31 ILE CD1 C 13 13.183 0.6 . 1 . . . . . . . . 5892 1 395 . 1 1 31 31 ILE HD11 H 1 0.724 0.04 . 1 . . . . . . . . 5892 1 396 . 1 1 31 31 ILE HD12 H 1 0.724 0.04 . 1 . . . . . . . . 5892 1 397 . 1 1 31 31 ILE HD13 H 1 0.724 0.04 . 1 . . . . . . . . 5892 1 398 . 1 1 32 32 ASP H H 1 8.156 0.04 . 1 . . . . . . . . 5892 1 399 . 1 1 32 32 ASP N N 15 122.729 0.1 . 1 . . . . . . . . 5892 1 400 . 1 1 32 32 ASP CA C 13 55.660 0.6 . 1 . . . . . . . . 5892 1 401 . 1 1 32 32 ASP HA H 1 4.529 0.04 . 1 . . . . . . . . 5892 1 402 . 1 1 32 32 ASP C C 13 177.435 0.6 . 1 . . . . . . . . 5892 1 403 . 1 1 32 32 ASP CB C 13 42.346 0.6 . 1 . . . . . . . . 5892 1 404 . 1 1 32 32 ASP HB2 H 1 2.735 0.04 . 1 . . . . . . . . 5892 1 405 . 1 1 32 32 ASP HB3 H 1 2.735 0.04 . 1 . . . . . . . . 5892 1 406 . 1 1 32 32 ASP CG C 13 177.773 0.6 . 1 . . . . . . . . 5892 1 407 . 1 1 33 33 GLU H H 1 7.523 0.04 . 1 . . . . . . . . 5892 1 408 . 1 1 33 33 GLU N N 15 117.351 0.1 . 1 . . . . . . . . 5892 1 409 . 1 1 33 33 GLU CA C 13 55.660 0.6 . 1 . . . . . . . . 5892 1 410 . 1 1 33 33 GLU HA H 1 5.566 0.04 . 1 . . . . . . . . 5892 1 411 . 1 1 33 33 GLU C C 13 177.504 0.6 . 1 . . . . . . . . 5892 1 412 . 1 1 33 33 GLU CB C 13 34.104 0.6 . 1 . . . . . . . . 5892 1 413 . 1 1 33 33 GLU HB2 H 1 1.788 0.04 . 2 . . . . . . . . 5892 1 414 . 1 1 33 33 GLU HB3 H 1 1.766 0.04 . 2 . . . . . . . . 5892 1 415 . 1 1 33 33 GLU CG C 13 37.274 0.6 . 1 . . . . . . . . 5892 1 416 . 1 1 33 33 GLU HG2 H 1 2.128 0.04 . 2 . . . . . . . . 5892 1 417 . 1 1 33 33 GLU HG3 H 1 1.914 0.04 . 2 . . . . . . . . 5892 1 418 . 1 1 33 33 GLU CD C 13 181.906 0.6 . 1 . . . . . . . . 5892 1 419 . 1 1 34 34 VAL H H 1 8.820 0.04 . 1 . . . . . . . . 5892 1 420 . 1 1 34 34 VAL N N 15 120.596 0.1 . 1 . . . . . . . . 5892 1 421 . 1 1 34 34 VAL CA C 13 60.097 0.6 . 1 . . . . . . . . 5892 1 422 . 1 1 34 34 VAL HA H 1 4.607 0.04 . 1 . . . . . . . . 5892 1 423 . 1 1 34 34 VAL C C 13 178.973 0.6 . 1 . . . . . . . . 5892 1 424 . 1 1 34 34 VAL CB C 13 37.274 0.6 . 1 . . . . . . . . 5892 1 425 . 1 1 34 34 VAL HB H 1 1.606 0.04 . 1 . . . . . . . . 5892 1 426 . 1 1 34 34 VAL CG1 C 13 22.693 0.6 . 1 . . . . . . . . 5892 1 427 . 1 1 34 34 VAL HG11 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 428 . 1 1 34 34 VAL HG12 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 429 . 1 1 34 34 VAL HG13 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 430 . 1 1 34 34 VAL CG2 C 13 22.693 0.6 . 1 . . . . . . . . 5892 1 431 . 1 1 34 34 VAL HG21 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 432 . 1 1 34 34 VAL HG22 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 433 . 1 1 34 34 VAL HG23 H 1 0.623 0.04 . 1 . . . . . . . . 5892 1 434 . 1 1 35 35 ILE H H 1 8.612 0.04 . 1 . . . . . . . . 5892 1 435 . 1 1 35 35 ILE N N 15 124.386 0.1 . 1 . . . . . . . . 5892 1 436 . 1 1 35 35 ILE CA C 13 59.463 0.6 . 1 . . . . . . . . 5892 1 437 . 1 1 35 35 ILE HA H 1 4.748 0.04 . 1 . . . . . . . . 5892 1 438 . 1 1 35 35 ILE C C 13 177.616 0.6 . 1 . . . . . . . . 5892 1 439 . 1 1 35 35 ILE CB C 13 41.078 0.6 . 1 . . . . . . . . 5892 1 440 . 1 1 35 35 ILE HB H 1 1.509 0.04 . 1 . . . . . . . . 5892 1 441 . 1 1 35 35 ILE CG2 C 13 19.523 0.6 . 2 . . . . . . . . 5892 1 442 . 1 1 35 35 ILE HG21 H 1 0.596 0.04 . 1 . . . . . . . . 5892 1 443 . 1 1 35 35 ILE HG22 H 1 0.596 0.04 . 1 . . . . . . . . 5892 1 444 . 1 1 35 35 ILE HG23 H 1 0.596 0.04 . 1 . . . . . . . . 5892 1 445 . 1 1 35 35 ILE CG1 C 13 27.131 0.6 . 2 . . . . . . . . 5892 1 446 . 1 1 35 35 ILE HG12 H 1 1.363 0.04 . 2 . . . . . . . . 5892 1 447 . 1 1 35 35 ILE HG13 H 1 0.822 0.04 . 2 . . . . . . . . 5892 1 448 . 1 1 35 35 ILE CD1 C 13 14.451 0.6 . 1 . . . . . . . . 5892 1 449 . 1 1 35 35 ILE HD11 H 1 0.647 0.04 . 1 . . . . . . . . 5892 1 450 . 1 1 35 35 ILE HD12 H 1 0.647 0.04 . 1 . . . . . . . . 5892 1 451 . 1 1 35 35 ILE HD13 H 1 0.647 0.04 . 1 . . . . . . . . 5892 1 452 . 1 1 36 36 LEU H H 1 9.153 0.04 . 1 . . . . . . . . 5892 1 453 . 1 1 36 36 LEU N N 15 127.312 0.1 . 1 . . . . . . . . 5892 1 454 . 1 1 36 36 LEU CA C 13 53.758 0.6 . 1 . . . . . . . . 5892 1 455 . 1 1 36 36 LEU HA H 1 4.956 0.04 . 1 . . . . . . . . 5892 1 456 . 1 1 36 36 LEU C C 13 177.579 0.6 . 1 . . . . . . . . 5892 1 457 . 1 1 36 36 LEU CB C 13 45.516 0.6 . 1 . . . . . . . . 5892 1 458 . 1 1 36 36 LEU HB2 H 1 1.491 0.04 . 2 . . . . . . . . 5892 1 459 . 1 1 36 36 LEU HB3 H 1 1.250 0.04 . 2 . . . . . . . . 5892 1 460 . 1 1 36 36 LEU CG C 13 27.764 0.6 . 1 . . . . . . . . 5892 1 461 . 1 1 36 36 LEU CD1 C 13 26.497 0.6 . 2 . . . . . . . . 5892 1 462 . 1 1 36 36 LEU HD11 H 1 0.629 0.04 . 2 . . . . . . . . 5892 1 463 . 1 1 36 36 LEU HD12 H 1 0.629 0.04 . 2 . . . . . . . . 5892 1 464 . 1 1 36 36 LEU HD13 H 1 0.629 0.04 . 2 . . . . . . . . 5892 1 465 . 1 1 36 36 LEU CD2 C 13 25.229 0.6 . 2 . . . . . . . . 5892 1 466 . 1 1 36 36 LEU HD21 H 1 0.698 0.04 . 2 . . . . . . . . 5892 1 467 . 1 1 36 36 LEU HD22 H 1 0.698 0.04 . 2 . . . . . . . . 5892 1 468 . 1 1 36 36 LEU HD23 H 1 0.698 0.04 . 2 . . . . . . . . 5892 1 469 . 1 1 36 36 LEU HG H 1 1.373 0.04 . 1 . . . . . . . . 5892 1 470 . 1 1 37 37 LYS H H 1 8.969 0.04 . 1 . . . . . . . . 5892 1 471 . 1 1 37 37 LYS N N 15 125.595 0.1 . 1 . . . . . . . . 5892 1 472 . 1 1 37 37 LYS CA C 13 54.494 0.6 . 1 . . . . . . . . 5892 1 473 . 1 1 37 37 LYS HA H 1 5.344 0.04 . 1 . . . . . . . . 5892 1 474 . 1 1 37 37 LYS C C 13 177.463 0.6 . 1 . . . . . . . . 5892 1 475 . 1 1 37 37 LYS CB C 13 36.640 0.6 . 1 . . . . . . . . 5892 1 476 . 1 1 37 37 LYS HB2 H 1 1.555 0.04 . 2 . . . . . . . . 5892 1 477 . 1 1 37 37 LYS HB3 H 1 1.212 0.04 . 2 . . . . . . . . 5892 1 478 . 1 1 37 37 LYS CG C 13 25.073 0.6 . 1 . . . . . . . . 5892 1 479 . 1 1 37 37 LYS CD C 13 26.564 0.6 . 1 . . . . . . . . 5892 1 480 . 1 1 37 37 LYS CE C 13 42.259 0.6 . 1 . . . . . . . . 5892 1 481 . 1 1 38 38 GLY H H 1 8.426 0.04 . 1 . . . . . . . . 5892 1 482 . 1 1 38 38 GLY N N 15 110.851 0.1 . 1 . . . . . . . . 5892 1 483 . 1 1 38 38 GLY CA C 13 44.272 0.6 . 1 . . . . . . . . 5892 1 484 . 1 1 38 38 GLY HA2 H 1 4.796 0.04 . 2 . . . . . . . . 5892 1 485 . 1 1 38 38 GLY C C 13 180.915 0.6 . 1 . . . . . . . . 5892 1 486 . 1 1 39 39 THR H H 1 8.307 0.04 . 1 . . . . . . . . 5892 1 487 . 1 1 39 39 THR N N 15 113.212 0.1 . 1 . . . . . . . . 5892 1 488 . 1 1 39 39 THR CA C 13 59.569 0.6 . 1 . . . . . . . . 5892 1 489 . 1 1 39 39 THR HA H 1 5.116 0.04 . 1 . . . . . . . . 5892 1 490 . 1 1 39 39 THR C C 13 177.474 0.6 . 1 . . . . . . . . 5892 1 491 . 1 1 39 39 THR CB C 13 71.876 0.6 . 1 . . . . . . . . 5892 1 492 . 1 1 39 39 THR HB H 1 4.062 0.04 . 1 . . . . . . . . 5892 1 493 . 1 1 39 39 THR CG2 C 13 22.693 0.6 . 1 . . . . . . . . 5892 1 494 . 1 1 39 39 THR HG21 H 1 1.009 0.04 . 1 . . . . . . . . 5892 1 495 . 1 1 39 39 THR HG22 H 1 1.009 0.04 . 1 . . . . . . . . 5892 1 496 . 1 1 39 39 THR HG23 H 1 1.009 0.04 . 1 . . . . . . . . 5892 1 497 . 1 1 40 40 GLY H H 1 8.710 0.04 . 1 . . . . . . . . 5892 1 498 . 1 1 40 40 GLY N N 15 109.858 0.1 . 1 . . . . . . . . 5892 1 499 . 1 1 40 40 GLY CA C 13 47.219 0.6 . 1 . . . . . . . . 5892 1 500 . 1 1 40 40 GLY HA2 H 1 5.008 0.04 . 2 . . . . . . . . 5892 1 501 . 1 1 40 40 GLY HA3 H 1 3.861 0.04 . 2 . . . . . . . . 5892 1 502 . 1 1 40 40 GLY C C 13 175.832 0.6 . 1 . . . . . . . . 5892 1 503 . 1 1 41 41 ARG H H 1 9.135 0.04 . 1 . . . . . . . . 5892 1 504 . 1 1 41 41 ARG N N 15 126.266 0.1 . 1 . . . . . . . . 5892 1 505 . 1 1 41 41 ARG CA C 13 58.829 0.6 . 1 . . . . . . . . 5892 1 506 . 1 1 41 41 ARG HA H 1 3.945 0.04 . 1 . . . . . . . . 5892 1 507 . 1 1 41 41 ARG C C 13 173.908 0.6 . 1 . . . . . . . . 5892 1 508 . 1 1 41 41 ARG CB C 13 30.216 0.6 . 1 . . . . . . . . 5892 1 509 . 1 1 41 41 ARG HB2 H 1 1.798 0.04 . 2 . . . . . . . . 5892 1 510 . 1 1 41 41 ARG HB3 H 1 1.796 0.04 . 2 . . . . . . . . 5892 1 511 . 1 1 41 41 ARG CG C 13 28.398 0.6 . 1 . . . . . . . . 5892 1 512 . 1 1 41 41 ARG HG2 H 1 1.755 0.04 . 2 . . . . . . . . 5892 1 513 . 1 1 41 41 ARG HG3 H 1 1.633 0.04 . 2 . . . . . . . . 5892 1 514 . 1 1 41 41 ARG CD C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 515 . 1 1 41 41 ARG HD2 H 1 3.164 0.04 . 1 . . . . . . . . 5892 1 516 . 1 1 41 41 ARG HD3 H 1 3.164 0.04 . 1 . . . . . . . . 5892 1 517 . 1 1 42 42 GLU H H 1 8.235 0.04 . 1 . . . . . . . . 5892 1 518 . 1 1 42 42 GLU N N 15 117.444 0.1 . 1 . . . . . . . . 5892 1 519 . 1 1 42 42 GLU CA C 13 59.463 0.6 . 1 . . . . . . . . 5892 1 520 . 1 1 42 42 GLU HA H 1 4.058 0.04 . 1 . . . . . . . . 5892 1 521 . 1 1 42 42 GLU C C 13 175.391 0.6 . 1 . . . . . . . . 5892 1 522 . 1 1 42 42 GLU CB C 13 29.666 0.6 . 1 . . . . . . . . 5892 1 523 . 1 1 42 42 GLU HB2 H 1 1.834 0.04 . 2 . . . . . . . . 5892 1 524 . 1 1 42 42 GLU HB3 H 1 1.832 0.04 . 2 . . . . . . . . 5892 1 525 . 1 1 42 42 GLU CG C 13 39.810 0.6 . 1 . . . . . . . . 5892 1 526 . 1 1 42 42 GLU HG2 H 1 2.231 0.04 . 2 . . . . . . . . 5892 1 527 . 1 1 42 42 GLU HG3 H 1 1.835 0.04 . 2 . . . . . . . . 5892 1 528 . 1 1 42 42 GLU CD C 13 176.132 0.6 . 1 . . . . . . . . 5892 1 529 . 1 1 43 43 ILE H H 1 7.789 0.04 . 1 . . . . . . . . 5892 1 530 . 1 1 43 43 ILE N N 15 122.586 0.1 . 1 . . . . . . . . 5892 1 531 . 1 1 43 43 ILE CA C 13 67.075 0.6 . 1 . . . . . . . . 5892 1 532 . 1 1 43 43 ILE HA H 1 3.175 0.04 . 1 . . . . . . . . 5892 1 533 . 1 1 43 43 ILE C C 13 175.070 0.6 . 1 . . . . . . . . 5892 1 534 . 1 1 43 43 ILE CB C 13 38.552 0.6 . 1 . . . . . . . . 5892 1 535 . 1 1 43 43 ILE HB H 1 1.523 0.04 . 1 . . . . . . . . 5892 1 536 . 1 1 44 44 SER H H 1 7.142 0.04 . 1 . . . . . . . . 5892 1 537 . 1 1 44 44 SER N N 15 111.939 0.1 . 1 . . . . . . . . 5892 1 538 . 1 1 44 44 SER CA C 13 62.029 0.6 . 1 . . . . . . . . 5892 1 539 . 1 1 44 44 SER HA H 1 3.629 0.04 . 1 . . . . . . . . 5892 1 540 . 1 1 44 44 SER C C 13 177.755 0.6 . 1 . . . . . . . . 5892 1 541 . 1 1 44 44 SER CB C 13 62.732 0.6 . 1 . . . . . . . . 5892 1 542 . 1 1 44 44 SER HB2 H 1 3.431 0.04 . 1 . . . . . . . . 5892 1 543 . 1 1 44 44 SER HB3 H 1 3.431 0.04 . 1 . . . . . . . . 5892 1 544 . 1 1 45 45 LYS H H 1 6.350 0.04 . 1 . . . . . . . . 5892 1 545 . 1 1 45 45 LYS N N 15 121.721 0.1 . 1 . . . . . . . . 5892 1 546 . 1 1 45 45 LYS CA C 13 59.463 0.6 . 1 . . . . . . . . 5892 1 547 . 1 1 45 45 LYS HA H 1 3.986 0.04 . 1 . . . . . . . . 5892 1 548 . 1 1 45 45 LYS C C 13 175.032 0.6 . 1 . . . . . . . . 5892 1 549 . 1 1 45 45 LYS CB C 13 33.208 0.6 . 1 . . . . . . . . 5892 1 550 . 1 1 45 45 LYS HB2 H 1 1.837 0.04 . 2 . . . . . . . . 5892 1 551 . 1 1 45 45 LYS CE C 13 42.154 0.6 . 1 . . . . . . . . 5892 1 552 . 1 1 45 45 LYS HE2 H 1 2.930 0.04 . 2 . . . . . . . . 5892 1 553 . 1 1 46 46 ALA H H 1 8.092 0.04 . 1 . . . . . . . . 5892 1 554 . 1 1 46 46 ALA N N 15 120.818 0.1 . 1 . . . . . . . . 5892 1 555 . 1 1 46 46 ALA CA C 13 56.109 0.6 . 1 . . . . . . . . 5892 1 556 . 1 1 46 46 ALA HA H 1 3.590 0.04 . 1 . . . . . . . . 5892 1 557 . 1 1 46 46 ALA C C 13 174.113 0.6 . 1 . . . . . . . . 5892 1 558 . 1 1 46 46 ALA CB C 13 17.621 0.6 . 1 . . . . . . . . 5892 1 559 . 1 1 46 46 ALA HB1 H 1 1.055 0.04 . 1 . . . . . . . . 5892 1 560 . 1 1 46 46 ALA HB2 H 1 1.055 0.04 . 1 . . . . . . . . 5892 1 561 . 1 1 46 46 ALA HB3 H 1 1.055 0.04 . 1 . . . . . . . . 5892 1 562 . 1 1 47 47 VAL H H 1 7.227 0.04 . 1 . . . . . . . . 5892 1 563 . 1 1 47 47 VAL N N 15 116.509 0.1 . 1 . . . . . . . . 5892 1 564 . 1 1 47 47 VAL CA C 13 67.705 0.6 . 1 . . . . . . . . 5892 1 565 . 1 1 47 47 VAL HA H 1 3.355 0.04 . 1 . . . . . . . . 5892 1 566 . 1 1 47 47 VAL C C 13 175.185 0.6 . 1 . . . . . . . . 5892 1 567 . 1 1 47 47 VAL CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 568 . 1 1 47 47 VAL HB H 1 2.012 0.04 . 1 . . . . . . . . 5892 1 569 . 1 1 47 47 VAL CG1 C 13 23.314 0.6 . 2 . . . . . . . . 5892 1 570 . 1 1 47 47 VAL HG11 H 1 0.820 0.04 . 2 . . . . . . . . 5892 1 571 . 1 1 47 47 VAL HG12 H 1 0.820 0.04 . 2 . . . . . . . . 5892 1 572 . 1 1 47 47 VAL HG13 H 1 0.820 0.04 . 2 . . . . . . . . 5892 1 573 . 1 1 47 47 VAL CG2 C 13 22.882 0.6 . 2 . . . . . . . . 5892 1 574 . 1 1 47 47 VAL HG21 H 1 0.782 0.04 . 2 . . . . . . . . 5892 1 575 . 1 1 47 47 VAL HG22 H 1 0.782 0.04 . 2 . . . . . . . . 5892 1 576 . 1 1 47 47 VAL HG23 H 1 0.782 0.04 . 2 . . . . . . . . 5892 1 577 . 1 1 48 48 ASP H H 1 8.087 0.04 . 1 . . . . . . . . 5892 1 578 . 1 1 48 48 ASP N N 15 121.029 0.1 . 1 . . . . . . . . 5892 1 579 . 1 1 48 48 ASP CA C 13 58.653 0.6 . 1 . . . . . . . . 5892 1 580 . 1 1 48 48 ASP HA H 1 4.072 0.04 . 1 . . . . . . . . 5892 1 581 . 1 1 48 48 ASP C C 13 172.985 0.6 . 1 . . . . . . . . 5892 1 582 . 1 1 48 48 ASP CB C 13 40.764 0.6 . 1 . . . . . . . . 5892 1 583 . 1 1 48 48 ASP HB2 H 1 2.908 0.04 . 2 . . . . . . . . 5892 1 584 . 1 1 48 48 ASP HB3 H 1 2.499 0.04 . 2 . . . . . . . . 5892 1 585 . 1 1 49 49 VAL H H 1 8.613 0.04 . 1 . . . . . . . . 5892 1 586 . 1 1 49 49 VAL N N 15 121.187 0.1 . 1 . . . . . . . . 5892 1 587 . 1 1 49 49 VAL CA C 13 66.891 0.6 . 1 . . . . . . . . 5892 1 588 . 1 1 49 49 VAL HA H 1 3.318 0.04 . 1 . . . . . . . . 5892 1 589 . 1 1 49 49 VAL C C 13 175.366 0.6 . 1 . . . . . . . . 5892 1 590 . 1 1 49 49 VAL CB C 13 31.685 0.6 . 1 . . . . . . . . 5892 1 591 . 1 1 49 49 VAL HB H 1 2.162 0.04 . 1 . . . . . . . . 5892 1 592 . 1 1 49 49 VAL CG1 C 13 24.595 0.6 . 2 . . . . . . . . 5892 1 593 . 1 1 49 49 VAL HG11 H 1 0.961 0.04 . 2 . . . . . . . . 5892 1 594 . 1 1 49 49 VAL HG12 H 1 0.961 0.04 . 2 . . . . . . . . 5892 1 595 . 1 1 49 49 VAL HG13 H 1 0.961 0.04 . 2 . . . . . . . . 5892 1 596 . 1 1 49 49 VAL CG2 C 13 22.693 0.6 . 2 . . . . . . . . 5892 1 597 . 1 1 49 49 VAL HG21 H 1 0.637 0.04 . 2 . . . . . . . . 5892 1 598 . 1 1 49 49 VAL HG22 H 1 0.637 0.04 . 2 . . . . . . . . 5892 1 599 . 1 1 49 49 VAL HG23 H 1 0.637 0.04 . 2 . . . . . . . . 5892 1 600 . 1 1 50 50 TYR H H 1 7.821 0.04 . 1 . . . . . . . . 5892 1 601 . 1 1 50 50 TYR N N 15 119.564 0.1 . 1 . . . . . . . . 5892 1 602 . 1 1 50 50 TYR CA C 13 61.999 0.6 . 1 . . . . . . . . 5892 1 603 . 1 1 50 50 TYR HA H 1 3.869 0.04 . 1 . . . . . . . . 5892 1 604 . 1 1 50 50 TYR C C 13 176.672 0.6 . 1 . . . . . . . . 5892 1 605 . 1 1 50 50 TYR CB C 13 38.542 0.6 . 1 . . . . . . . . 5892 1 606 . 1 1 50 50 TYR HB2 H 1 2.899 0.04 . 2 . . . . . . . . 5892 1 607 . 1 1 50 50 TYR HB3 H 1 2.813 0.04 . 2 . . . . . . . . 5892 1 608 . 1 1 50 50 TYR CD1 C 13 132.757 0.6 . 1 . . . . . . . . 5892 1 609 . 1 1 50 50 TYR HD1 H 1 6.760 0.04 . 2 . . . . . . . . 5892 1 610 . 1 1 50 50 TYR CD2 C 13 132.757 0.6 . 1 . . . . . . . . 5892 1 611 . 1 1 50 50 TYR HD2 H 1 6.761 0.04 . 2 . . . . . . . . 5892 1 612 . 1 1 50 50 TYR CE1 C 13 117.281 0.6 . 1 . . . . . . . . 5892 1 613 . 1 1 50 50 TYR HE1 H 1 6.461 0.04 . 2 . . . . . . . . 5892 1 614 . 1 1 50 50 TYR CE2 C 13 117.281 0.6 . 1 . . . . . . . . 5892 1 615 . 1 1 50 50 TYR HE2 H 1 6.454 0.04 . 2 . . . . . . . . 5892 1 616 . 1 1 51 51 ASN H H 1 8.566 0.04 . 1 . . . . . . . . 5892 1 617 . 1 1 51 51 ASN N N 15 116.967 0.1 . 1 . . . . . . . . 5892 1 618 . 1 1 51 51 ASN CA C 13 56.928 0.6 . 1 . . . . . . . . 5892 1 619 . 1 1 51 51 ASN HA H 1 3.738 0.04 . 1 . . . . . . . . 5892 1 620 . 1 1 51 51 ASN C C 13 174.694 0.6 . 1 . . . . . . . . 5892 1 621 . 1 1 51 51 ASN CB C 13 38.542 0.6 . 1 . . . . . . . . 5892 1 622 . 1 1 51 51 ASN HB2 H 1 2.383 0.04 . 1 . . . . . . . . 5892 1 623 . 1 1 51 51 ASN HB3 H 1 2.383 0.04 . 1 . . . . . . . . 5892 1 624 . 1 1 52 52 SER H H 1 8.049 0.04 . 1 . . . . . . . . 5892 1 625 . 1 1 52 52 SER N N 15 116.324 0.1 . 1 . . . . . . . . 5892 1 626 . 1 1 52 52 SER CA C 13 61.999 0.6 . 1 . . . . . . . . 5892 1 627 . 1 1 52 52 SER HA H 1 4.103 0.04 . 1 . . . . . . . . 5892 1 628 . 1 1 52 52 SER C C 13 175.001 0.6 . 1 . . . . . . . . 5892 1 629 . 1 1 52 52 SER CB C 13 63.267 0.6 . 1 . . . . . . . . 5892 1 630 . 1 1 52 52 SER HB2 H 1 3.648 0.04 . 2 . . . . . . . . 5892 1 631 . 1 1 52 52 SER HB3 H 1 3.642 0.04 . 2 . . . . . . . . 5892 1 632 . 1 1 53 53 LEU H H 1 8.375 0.04 . 1 . . . . . . . . 5892 1 633 . 1 1 53 53 LEU N N 15 123.131 0.1 . 1 . . . . . . . . 5892 1 634 . 1 1 53 53 LEU CA C 13 58.829 0.6 . 1 . . . . . . . . 5892 1 635 . 1 1 53 53 LEU HA H 1 3.752 0.04 . 1 . . . . . . . . 5892 1 636 . 1 1 53 53 LEU C C 13 173.948 0.6 . 1 . . . . . . . . 5892 1 637 . 1 1 53 53 LEU CB C 13 42.980 0.6 . 1 . . . . . . . . 5892 1 638 . 1 1 53 53 LEU HB2 H 1 1.798 0.04 . 2 . . . . . . . . 5892 1 639 . 1 1 53 53 LEU HB3 H 1 1.483 0.04 . 2 . . . . . . . . 5892 1 640 . 1 1 53 53 LEU CD1 C 13 27.764 0.6 . 2 . . . . . . . . 5892 1 641 . 1 1 53 53 LEU HD11 H 1 0.816 0.04 . 2 . . . . . . . . 5892 1 642 . 1 1 53 53 LEU HD12 H 1 0.816 0.04 . 2 . . . . . . . . 5892 1 643 . 1 1 53 53 LEU HD13 H 1 0.816 0.04 . 2 . . . . . . . . 5892 1 644 . 1 1 53 53 LEU CD2 C 13 26.466 0.6 . 2 . . . . . . . . 5892 1 645 . 1 1 53 53 LEU HD21 H 1 0.749 0.04 . 2 . . . . . . . . 5892 1 646 . 1 1 53 53 LEU HD22 H 1 0.749 0.04 . 2 . . . . . . . . 5892 1 647 . 1 1 53 53 LEU HD23 H 1 0.749 0.04 . 2 . . . . . . . . 5892 1 648 . 1 1 53 53 LEU HG H 1 1.558 0.04 . 1 . . . . . . . . 5892 1 649 . 1 1 54 54 LYS H H 1 8.519 0.04 . 1 . . . . . . . . 5892 1 650 . 1 1 54 54 LYS N N 15 120.713 0.1 . 1 . . . . . . . . 5892 1 651 . 1 1 54 54 LYS CA C 13 57.562 0.6 . 1 . . . . . . . . 5892 1 652 . 1 1 54 54 LYS HA H 1 3.709 0.04 . 1 . . . . . . . . 5892 1 653 . 1 1 54 54 LYS C C 13 172.564 0.6 . 1 . . . . . . . . 5892 1 654 . 1 1 54 54 LYS CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 655 . 1 1 54 54 LYS HB2 H 1 1.604 0.04 . 2 . . . . . . . . 5892 1 656 . 1 1 54 54 LYS HB3 H 1 1.205 0.04 . 2 . . . . . . . . 5892 1 657 . 1 1 54 54 LYS CG C 13 23.961 0.6 . 1 . . . . . . . . 5892 1 658 . 1 1 54 54 LYS HG2 H 1 1.096 0.04 . 2 . . . . . . . . 5892 1 659 . 1 1 54 54 LYS HG3 H 1 1.095 0.04 . 2 . . . . . . . . 5892 1 660 . 1 1 54 54 LYS CD C 13 28.685 0.6 . 1 . . . . . . . . 5892 1 661 . 1 1 54 54 LYS HD2 H 1 1.403 0.04 . 2 . . . . . . . . 5892 1 662 . 1 1 54 54 LYS HD3 H 1 1.604 0.04 . 2 . . . . . . . . 5892 1 663 . 1 1 54 54 LYS CE C 13 42.980 0.6 . 1 . . . . . . . . 5892 1 664 . 1 1 54 54 LYS HE2 H 1 2.775 0.04 . 1 . . . . . . . . 5892 1 665 . 1 1 54 54 LYS HE3 H 1 2.775 0.04 . 1 . . . . . . . . 5892 1 666 . 1 1 55 55 ASP H H 1 7.967 0.04 . 1 . . . . . . . . 5892 1 667 . 1 1 55 55 ASP N N 15 120.687 0.1 . 1 . . . . . . . . 5892 1 668 . 1 1 55 55 ASP CA C 13 57.361 0.6 . 1 . . . . . . . . 5892 1 669 . 1 1 55 55 ASP HA H 1 4.142 0.04 . 1 . . . . . . . . 5892 1 670 . 1 1 55 55 ASP C C 13 174.917 0.6 . 1 . . . . . . . . 5892 1 671 . 1 1 55 55 ASP CB C 13 41.051 0.6 . 1 . . . . . . . . 5892 1 672 . 1 1 55 55 ASP HB2 H 1 2.696 0.04 . 2 . . . . . . . . 5892 1 673 . 1 1 55 55 ASP HB3 H 1 2.541 0.04 . 2 . . . . . . . . 5892 1 674 . 1 1 56 56 ARG H H 1 7.509 0.04 . 1 . . . . . . . . 5892 1 675 . 1 1 56 56 ARG N N 15 116.756 0.1 . 1 . . . . . . . . 5892 1 676 . 1 1 56 56 ARG CA C 13 58.196 0.6 . 1 . . . . . . . . 5892 1 677 . 1 1 56 56 ARG HA H 1 4.066 0.04 . 1 . . . . . . . . 5892 1 678 . 1 1 56 56 ARG C C 13 174.567 0.6 . 1 . . . . . . . . 5892 1 679 . 1 1 56 56 ARG CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 680 . 1 1 56 56 ARG HB2 H 1 1.799 0.04 . 2 . . . . . . . . 5892 1 681 . 1 1 56 56 ARG HB3 H 1 1.721 0.04 . 2 . . . . . . . . 5892 1 682 . 1 1 56 56 ARG CG C 13 27.764 0.6 . 1 . . . . . . . . 5892 1 683 . 1 1 56 56 ARG HG2 H 1 1.562 0.04 . 2 . . . . . . . . 5892 1 684 . 1 1 56 56 ARG HG3 H 1 1.523 0.04 . 2 . . . . . . . . 5892 1 685 . 1 1 56 56 ARG CD C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 686 . 1 1 56 56 ARG HD2 H 1 2.930 0.04 . 1 . . . . . . . . 5892 1 687 . 1 1 56 56 ARG HD3 H 1 2.930 0.04 . 1 . . . . . . . . 5892 1 688 . 1 1 57 57 LEU H H 1 8.609 0.04 . 1 . . . . . . . . 5892 1 689 . 1 1 57 57 LEU N N 15 115.890 0.1 . 1 . . . . . . . . 5892 1 690 . 1 1 57 57 LEU CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 691 . 1 1 57 57 LEU HA H 1 4.345 0.04 . 1 . . . . . . . . 5892 1 692 . 1 1 57 57 LEU C C 13 173.520 0.6 . 1 . . . . . . . . 5892 1 693 . 1 1 57 57 LEU CB C 13 44.248 0.6 . 1 . . . . . . . . 5892 1 694 . 1 1 57 57 LEU HB2 H 1 1.524 0.04 . 2 . . . . . . . . 5892 1 695 . 1 1 57 57 LEU CD1 C 13 26.497 0.6 . 2 . . . . . . . . 5892 1 696 . 1 1 57 57 LEU HD11 H 1 0.726 0.04 . 2 . . . . . . . . 5892 1 697 . 1 1 57 57 LEU HD12 H 1 0.726 0.04 . 2 . . . . . . . . 5892 1 698 . 1 1 57 57 LEU HD13 H 1 0.726 0.04 . 2 . . . . . . . . 5892 1 699 . 1 1 58 58 GLY H H 1 8.695 0.04 . 1 . . . . . . . . 5892 1 700 . 1 1 58 58 GLY N N 15 113.748 0.1 . 1 . . . . . . . . 5892 1 701 . 1 1 58 58 GLY CA C 13 47.647 0.6 . 1 . . . . . . . . 5892 1 702 . 1 1 58 58 GLY HA2 H 1 3.735 0.04 . 2 . . . . . . . . 5892 1 703 . 1 1 58 58 GLY HA3 H 1 2.963 0.04 . 2 . . . . . . . . 5892 1 704 . 1 1 58 58 GLY C C 13 176.529 0.6 . 1 . . . . . . . . 5892 1 705 . 1 1 59 59 ASP H H 1 9.004 0.04 . 1 . . . . . . . . 5892 1 706 . 1 1 59 59 ASP N N 15 127.284 0.1 . 1 . . . . . . . . 5892 1 707 . 1 1 59 59 ASP CA C 13 56.001 0.6 . 1 . . . . . . . . 5892 1 708 . 1 1 59 59 ASP HA H 1 4.295 0.04 . 1 . . . . . . . . 5892 1 709 . 1 1 59 59 ASP C C 13 176.377 0.6 . 1 . . . . . . . . 5892 1 710 . 1 1 59 59 ASP CB C 13 40.267 0.6 . 1 . . . . . . . . 5892 1 711 . 1 1 59 59 ASP HB2 H 1 2.704 0.04 . 2 . . . . . . . . 5892 1 712 . 1 1 59 59 ASP HB3 H 1 2.471 0.04 . 2 . . . . . . . . 5892 1 713 . 1 1 59 59 ASP CG C 13 179.033 0.6 . 1 . . . . . . . . 5892 1 714 . 1 1 60 60 GLY H H 1 8.479 0.04 . 1 . . . . . . . . 5892 1 715 . 1 1 60 60 GLY N N 15 105.629 0.1 . 1 . . . . . . . . 5892 1 716 . 1 1 60 60 GLY CA C 13 46.299 0.6 . 1 . . . . . . . . 5892 1 717 . 1 1 60 60 GLY HA2 H 1 4.114 0.04 . 2 . . . . . . . . 5892 1 718 . 1 1 60 60 GLY HA3 H 1 3.445 0.04 . 2 . . . . . . . . 5892 1 719 . 1 1 60 60 GLY C C 13 179.115 0.6 . 1 . . . . . . . . 5892 1 720 . 1 1 61 61 VAL H H 1 7.658 0.04 . 1 . . . . . . . . 5892 1 721 . 1 1 61 61 VAL N N 15 119.546 0.1 . 1 . . . . . . . . 5892 1 722 . 1 1 61 61 VAL CA C 13 59.463 0.6 . 1 . . . . . . . . 5892 1 723 . 1 1 61 61 VAL HA H 1 4.990 0.04 . 1 . . . . . . . . 5892 1 724 . 1 1 61 61 VAL C C 13 180.935 0.6 . 1 . . . . . . . . 5892 1 725 . 1 1 61 61 VAL CB C 13 35.372 0.6 . 1 . . . . . . . . 5892 1 726 . 1 1 61 61 VAL HB H 1 1.688 0.04 . 1 . . . . . . . . 5892 1 727 . 1 1 61 61 VAL CG1 C 13 23.961 0.6 . 2 . . . . . . . . 5892 1 728 . 1 1 61 61 VAL HG11 H 1 0.875 0.04 . 2 . . . . . . . . 5892 1 729 . 1 1 61 61 VAL HG12 H 1 0.875 0.04 . 2 . . . . . . . . 5892 1 730 . 1 1 61 61 VAL HG13 H 1 0.875 0.04 . 2 . . . . . . . . 5892 1 731 . 1 1 61 61 VAL CG2 C 13 20.791 0.6 . 2 . . . . . . . . 5892 1 732 . 1 1 61 61 VAL HG21 H 1 0.774 0.04 . 2 . . . . . . . . 5892 1 733 . 1 1 61 61 VAL HG22 H 1 0.774 0.04 . 2 . . . . . . . . 5892 1 734 . 1 1 61 61 VAL HG23 H 1 0.774 0.04 . 2 . . . . . . . . 5892 1 735 . 1 1 62 62 GLN H H 1 9.050 0.04 . 1 . . . . . . . . 5892 1 736 . 1 1 62 62 GLN N N 15 124.524 0.1 . 1 . . . . . . . . 5892 1 737 . 1 1 62 62 GLN CA C 13 53.758 0.6 . 1 . . . . . . . . 5892 1 738 . 1 1 62 62 GLN HA H 1 4.681 0.04 . 1 . . . . . . . . 5892 1 739 . 1 1 62 62 GLN C C 13 177.611 0.6 . 1 . . . . . . . . 5892 1 740 . 1 1 62 62 GLN CB C 13 32.836 0.6 . 1 . . . . . . . . 5892 1 741 . 1 1 62 62 GLN HB2 H 1 1.804 0.04 . 2 . . . . . . . . 5892 1 742 . 1 1 62 62 GLN HB3 H 1 1.595 0.04 . 2 . . . . . . . . 5892 1 743 . 1 1 62 62 GLN CG C 13 36.006 0.6 . 1 . . . . . . . . 5892 1 744 . 1 1 62 62 GLN HG2 H 1 2.108 0.04 . 2 . . . . . . . . 5892 1 745 . 1 1 62 62 GLN HG3 H 1 1.960 0.04 . 2 . . . . . . . . 5892 1 746 . 1 1 63 63 LEU H H 1 8.550 0.04 . 1 . . . . . . . . 5892 1 747 . 1 1 63 63 LEU N N 15 126.457 0.1 . 1 . . . . . . . . 5892 1 748 . 1 1 63 63 LEU CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 749 . 1 1 63 63 LEU HA H 1 4.455 0.04 . 1 . . . . . . . . 5892 1 750 . 1 1 63 63 LEU C C 13 176.380 0.6 . 1 . . . . . . . . 5892 1 751 . 1 1 63 63 LEU CB C 13 41.712 0.6 . 1 . . . . . . . . 5892 1 752 . 1 1 63 63 LEU HB2 H 1 1.680 0.04 . 2 . . . . . . . . 5892 1 753 . 1 1 63 63 LEU CD1 C 13 25.856 0.6 . 2 . . . . . . . . 5892 1 754 . 1 1 63 63 LEU HD11 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 755 . 1 1 63 63 LEU HD12 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 756 . 1 1 63 63 LEU HD13 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 757 . 1 1 63 63 LEU CD2 C 13 23.994 0.6 . 2 . . . . . . . . 5892 1 758 . 1 1 63 63 LEU HD21 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 759 . 1 1 63 63 LEU HD22 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 760 . 1 1 63 63 LEU HD23 H 1 0.274 0.04 . 1 . . . . . . . . 5892 1 761 . 1 1 63 63 LEU HG H 1 0.943 0.04 . 1 . . . . . . . . 5892 1 762 . 1 1 64 64 VAL H H 1 9.151 0.04 . 1 . . . . . . . . 5892 1 763 . 1 1 64 64 VAL N N 15 127.814 0.1 . 1 . . . . . . . . 5892 1 764 . 1 1 64 64 VAL CA C 13 64.535 0.6 . 1 . . . . . . . . 5892 1 765 . 1 1 64 64 VAL HA H 1 3.836 0.04 . 1 . . . . . . . . 5892 1 766 . 1 1 64 64 VAL C C 13 176.101 0.6 . 1 . . . . . . . . 5892 1 767 . 1 1 64 64 VAL CB C 13 33.470 0.6 . 1 . . . . . . . . 5892 1 768 . 1 1 64 64 VAL HB H 1 1.682 0.04 . 1 . . . . . . . . 5892 1 769 . 1 1 64 64 VAL CG1 C 13 22.059 0.6 . 1 . . . . . . . . 5892 1 770 . 1 1 64 64 VAL HG11 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 771 . 1 1 64 64 VAL HG12 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 772 . 1 1 64 64 VAL HG13 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 773 . 1 1 64 64 VAL CG2 C 13 22.059 0.6 . 1 . . . . . . . . 5892 1 774 . 1 1 64 64 VAL HG21 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 775 . 1 1 64 64 VAL HG22 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 776 . 1 1 64 64 VAL HG23 H 1 0.743 0.04 . 1 . . . . . . . . 5892 1 777 . 1 1 65 65 ASN H H 1 7.344 0.04 . 1 . . . . . . . . 5892 1 778 . 1 1 65 65 ASN N N 15 112.665 0.1 . 1 . . . . . . . . 5892 1 779 . 1 1 65 65 ASN CA C 13 54.008 0.6 . 1 . . . . . . . . 5892 1 780 . 1 1 65 65 ASN HA H 1 4.568 0.04 . 1 . . . . . . . . 5892 1 781 . 1 1 65 65 ASN C C 13 180.409 0.6 . 1 . . . . . . . . 5892 1 782 . 1 1 65 65 ASN CB C 13 42.193 0.6 . 1 . . . . . . . . 5892 1 783 . 1 1 65 65 ASN HB2 H 1 2.765 0.04 . 2 . . . . . . . . 5892 1 784 . 1 1 65 65 ASN HB3 H 1 2.538 0.04 . 2 . . . . . . . . 5892 1 785 . 1 1 66 66 VAL H H 1 8.119 0.04 . 1 . . . . . . . . 5892 1 786 . 1 1 66 66 VAL N N 15 121.163 0.1 . 1 . . . . . . . . 5892 1 787 . 1 1 66 66 VAL CA C 13 61.365 0.6 . 1 . . . . . . . . 5892 1 788 . 1 1 66 66 VAL HA H 1 4.801 0.04 . 1 . . . . . . . . 5892 1 789 . 1 1 66 66 VAL C C 13 178.344 0.6 . 1 . . . . . . . . 5892 1 790 . 1 1 66 66 VAL CB C 13 34.723 0.6 . 1 . . . . . . . . 5892 1 791 . 1 1 66 66 VAL HB H 1 1.638 0.04 . 1 . . . . . . . . 5892 1 792 . 1 1 66 66 VAL CG1 C 13 22.693 0.6 . 2 . . . . . . . . 5892 1 793 . 1 1 66 66 VAL HG11 H 1 0.664 0.04 . 2 . . . . . . . . 5892 1 794 . 1 1 66 66 VAL HG12 H 1 0.664 0.04 . 2 . . . . . . . . 5892 1 795 . 1 1 66 66 VAL HG13 H 1 0.664 0.04 . 2 . . . . . . . . 5892 1 796 . 1 1 66 66 VAL CG2 C 13 21.631 0.6 . 2 . . . . . . . . 5892 1 797 . 1 1 66 66 VAL HG21 H 1 0.578 0.04 . 2 . . . . . . . . 5892 1 798 . 1 1 66 66 VAL HG22 H 1 0.578 0.04 . 2 . . . . . . . . 5892 1 799 . 1 1 66 66 VAL HG23 H 1 0.578 0.04 . 2 . . . . . . . . 5892 1 800 . 1 1 67 67 GLN H H 1 8.793 0.04 . 1 . . . . . . . . 5892 1 801 . 1 1 67 67 GLN N N 15 124.693 0.1 . 1 . . . . . . . . 5892 1 802 . 1 1 67 67 GLN CA C 13 54.392 0.6 . 1 . . . . . . . . 5892 1 803 . 1 1 67 67 GLN HA H 1 4.652 0.04 . 1 . . . . . . . . 5892 1 804 . 1 1 67 67 GLN C C 13 178.272 0.6 . 1 . . . . . . . . 5892 1 805 . 1 1 67 67 GLN CB C 13 34.079 0.6 . 1 . . . . . . . . 5892 1 806 . 1 1 67 67 GLN HB2 H 1 2.031 0.04 . 2 . . . . . . . . 5892 1 807 . 1 1 67 67 GLN HB3 H 1 1.823 0.04 . 2 . . . . . . . . 5892 1 808 . 1 1 67 67 GLN CG C 13 34.737 0.6 . 1 . . . . . . . . 5892 1 809 . 1 1 67 67 GLN HG2 H 1 2.263 0.04 . 1 . . . . . . . . 5892 1 810 . 1 1 67 67 GLN HG3 H 1 2.263 0.04 . 1 . . . . . . . . 5892 1 811 . 1 1 68 68 THR H H 1 8.577 0.04 . 1 . . . . . . . . 5892 1 812 . 1 1 68 68 THR N N 15 114.812 0.1 . 1 . . . . . . . . 5892 1 813 . 1 1 68 68 THR CA C 13 59.722 0.6 . 1 . . . . . . . . 5892 1 814 . 1 1 68 68 THR HA H 1 4.606 0.04 . 1 . . . . . . . . 5892 1 815 . 1 1 68 68 THR C C 13 180.146 0.6 . 1 . . . . . . . . 5892 1 816 . 1 1 68 68 THR CB C 13 71.476 0.6 . 1 . . . . . . . . 5892 1 817 . 1 1 68 68 THR HB H 1 3.751 0.04 . 1 . . . . . . . . 5892 1 818 . 1 1 68 68 THR CG2 C 13 20.791 0.6 . 1 . . . . . . . . 5892 1 819 . 1 1 68 68 THR HG21 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 820 . 1 1 68 68 THR HG22 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 821 . 1 1 68 68 THR HG23 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 822 . 1 1 69 69 GLY H H 1 6.953 0.04 . 1 . . . . . . . . 5892 1 823 . 1 1 69 69 GLY N N 15 108.675 0.1 . 1 . . . . . . . . 5892 1 824 . 1 1 69 69 GLY CA C 13 46.158 0.6 . 1 . . . . . . . . 5892 1 825 . 1 1 69 69 GLY HA2 H 1 3.973 0.04 . 2 . . . . . . . . 5892 1 826 . 1 1 69 69 GLY HA3 H 1 3.599 0.04 . 2 . . . . . . . . 5892 1 827 . 1 1 69 69 GLY C C 13 180.296 0.6 . 1 . . . . . . . . 5892 1 828 . 1 1 70 70 SER H H 1 8.623 0.04 . 1 . . . . . . . . 5892 1 829 . 1 1 70 70 SER N N 15 117.484 0.1 . 1 . . . . . . . . 5892 1 830 . 1 1 70 70 SER CA C 13 57.562 0.6 . 1 . . . . . . . . 5892 1 831 . 1 1 70 70 SER HA H 1 5.214 0.04 . 1 . . . . . . . . 5892 1 832 . 1 1 70 70 SER C C 13 179.591 0.6 . 1 . . . . . . . . 5892 1 833 . 1 1 70 70 SER CB C 13 66.437 0.6 . 1 . . . . . . . . 5892 1 834 . 1 1 70 70 SER HB2 H 1 3.397 0.04 . 1 . . . . . . . . 5892 1 835 . 1 1 70 70 SER HB3 H 1 3.397 0.04 . 1 . . . . . . . . 5892 1 836 . 1 1 71 71 GLU H H 1 9.310 0.04 . 1 . . . . . . . . 5892 1 837 . 1 1 71 71 GLU N N 15 121.547 0.1 . 1 . . . . . . . . 5892 1 838 . 1 1 71 71 GLU CA C 13 54.392 0.6 . 1 . . . . . . . . 5892 1 839 . 1 1 71 71 GLU HA H 1 4.690 0.04 . 1 . . . . . . . . 5892 1 840 . 1 1 71 71 GLU C C 13 178.520 0.6 . 1 . . . . . . . . 5892 1 841 . 1 1 71 71 GLU CB C 13 33.470 0.6 . 1 . . . . . . . . 5892 1 842 . 1 1 71 71 GLU HB2 H 1 1.841 0.04 . 1 . . . . . . . . 5892 1 843 . 1 1 71 71 GLU HB3 H 1 1.841 0.04 . 1 . . . . . . . . 5892 1 844 . 1 1 71 71 GLU CG C 13 35.438 0.6 . 1 . . . . . . . . 5892 1 845 . 1 1 71 71 GLU HG2 H 1 2.015 0.04 . 2 . . . . . . . . 5892 1 846 . 1 1 71 71 GLU HG3 H 1 1.841 0.04 . 2 . . . . . . . . 5892 1 847 . 1 1 71 71 GLU CD C 13 185.199 0.6 . 1 . . . . . . . . 5892 1 848 . 1 1 72 72 VAL H H 1 8.535 0.04 . 1 . . . . . . . . 5892 1 849 . 1 1 72 72 VAL N N 15 121.671 0.1 . 1 . . . . . . . . 5892 1 850 . 1 1 72 72 VAL CA C 13 62.005 0.6 . 1 . . . . . . . . 5892 1 851 . 1 1 72 72 VAL HA H 1 4.533 0.04 . 1 . . . . . . . . 5892 1 852 . 1 1 72 72 VAL C C 13 176.182 0.6 . 1 . . . . . . . . 5892 1 853 . 1 1 72 72 VAL CB C 13 32.836 0.6 . 1 . . . . . . . . 5892 1 854 . 1 1 72 72 VAL HB H 1 1.720 0.04 . 1 . . . . . . . . 5892 1 855 . 1 1 72 72 VAL CG1 C 13 21.425 0.6 . 1 . . . . . . . . 5892 1 856 . 1 1 72 72 VAL HG11 H 1 0.671 0.04 . 2 . . . . . . . . 5892 1 857 . 1 1 72 72 VAL HG12 H 1 0.671 0.04 . 2 . . . . . . . . 5892 1 858 . 1 1 72 72 VAL HG13 H 1 0.671 0.04 . 2 . . . . . . . . 5892 1 859 . 1 1 72 72 VAL CG2 C 13 21.425 0.6 . 1 . . . . . . . . 5892 1 860 . 1 1 72 72 VAL HG21 H 1 0.574 0.04 . 2 . . . . . . . . 5892 1 861 . 1 1 72 72 VAL HG22 H 1 0.574 0.04 . 2 . . . . . . . . 5892 1 862 . 1 1 72 72 VAL HG23 H 1 0.574 0.04 . 2 . . . . . . . . 5892 1 863 . 1 1 73 73 ARG H H 1 8.857 0.04 . 1 . . . . . . . . 5892 1 864 . 1 1 73 73 ARG N N 15 128.509 0.1 . 1 . . . . . . . . 5892 1 865 . 1 1 73 73 ARG CA C 13 55.660 0.6 . 1 . . . . . . . . 5892 1 866 . 1 1 73 73 ARG HA H 1 4.379 0.04 . 1 . . . . . . . . 5892 1 867 . 1 1 73 73 ARG C C 13 176.834 0.6 . 1 . . . . . . . . 5892 1 868 . 1 1 73 73 ARG CB C 13 33.470 0.6 . 1 . . . . . . . . 5892 1 869 . 1 1 73 73 ARG HB2 H 1 1.601 0.04 . 2 . . . . . . . . 5892 1 870 . 1 1 73 73 ARG HB3 H 1 1.523 0.04 . 2 . . . . . . . . 5892 1 871 . 1 1 73 73 ARG CG C 13 27.131 0.6 . 1 . . . . . . . . 5892 1 872 . 1 1 73 73 ARG HG2 H 1 1.437 0.04 . 2 . . . . . . . . 5892 1 873 . 1 1 73 73 ARG HG3 H 1 1.333 0.04 . 2 . . . . . . . . 5892 1 874 . 1 1 73 73 ARG CD C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 875 . 1 1 73 73 ARG HD2 H 1 3.086 0.04 . 2 . . . . . . . . 5892 1 876 . 1 1 73 73 ARG HD3 H 1 3.008 0.04 . 2 . . . . . . . . 5892 1 877 . 1 1 74 74 ASP H H 1 9.383 0.04 . 1 . . . . . . . . 5892 1 878 . 1 1 74 74 ASP N N 15 127.087 0.1 . 1 . . . . . . . . 5892 1 879 . 1 1 74 74 ASP CA C 13 56.329 0.6 . 1 . . . . . . . . 5892 1 880 . 1 1 74 74 ASP HA H 1 4.069 0.04 . 1 . . . . . . . . 5892 1 881 . 1 1 74 74 ASP C C 13 177.523 0.6 . 1 . . . . . . . . 5892 1 882 . 1 1 74 74 ASP CB C 13 39.845 0.6 . 1 . . . . . . . . 5892 1 883 . 1 1 74 74 ASP HB2 H 1 2.734 0.04 . 2 . . . . . . . . 5892 1 884 . 1 1 74 74 ASP HB3 H 1 2.498 0.04 . 2 . . . . . . . . 5892 1 885 . 1 1 74 74 ASP CG C 13 180.068 0.6 . 1 . . . . . . . . 5892 1 886 . 1 1 75 75 ARG H H 1 8.482 0.04 . 1 . . . . . . . . 5892 1 887 . 1 1 75 75 ARG N N 15 108.757 0.1 . 1 . . . . . . . . 5892 1 888 . 1 1 75 75 ARG CA C 13 58.190 0.6 . 1 . . . . . . . . 5892 1 889 . 1 1 75 75 ARG HA H 1 3.516 0.04 . 1 . . . . . . . . 5892 1 890 . 1 1 75 75 ARG C C 13 177.307 0.6 . 1 . . . . . . . . 5892 1 891 . 1 1 75 75 ARG CB C 13 28.398 0.6 . 1 . . . . . . . . 5892 1 892 . 1 1 75 75 ARG HB2 H 1 1.958 0.04 . 2 . . . . . . . . 5892 1 893 . 1 1 75 75 ARG HB3 H 1 1.875 0.04 . 2 . . . . . . . . 5892 1 894 . 1 1 75 75 ARG CG C 13 28.398 0.6 . 1 . . . . . . . . 5892 1 895 . 1 1 75 75 ARG HG2 H 1 1.407 0.04 . 1 . . . . . . . . 5892 1 896 . 1 1 75 75 ARG HG3 H 1 1.407 0.04 . 1 . . . . . . . . 5892 1 897 . 1 1 75 75 ARG CD C 13 43.595 0.6 . 1 . . . . . . . . 5892 1 898 . 1 1 75 75 ARG HD2 H 1 3.045 0.04 . 1 . . . . . . . . 5892 1 899 . 1 1 75 75 ARG HD3 H 1 3.045 0.04 . 1 . . . . . . . . 5892 1 900 . 1 1 76 76 ARG H H 1 7.896 0.04 . 1 . . . . . . . . 5892 1 901 . 1 1 76 76 ARG N N 15 120.399 0.1 . 1 . . . . . . . . 5892 1 902 . 1 1 76 76 ARG CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 903 . 1 1 76 76 ARG HA H 1 4.497 0.04 . 1 . . . . . . . . 5892 1 904 . 1 1 76 76 ARG C C 13 178.178 0.6 . 1 . . . . . . . . 5892 1 905 . 1 1 76 76 ARG CB C 13 33.470 0.6 . 1 . . . . . . . . 5892 1 906 . 1 1 76 76 ARG HB2 H 1 1.685 0.04 . 1 . . . . . . . . 5892 1 907 . 1 1 76 76 ARG HB3 H 1 1.685 0.04 . 1 . . . . . . . . 5892 1 908 . 1 1 76 76 ARG CG C 13 27.131 0.6 . 1 . . . . . . . . 5892 1 909 . 1 1 76 76 ARG HG2 H 1 1.519 0.04 . 1 . . . . . . . . 5892 1 910 . 1 1 76 76 ARG HG3 H 1 1.519 0.04 . 1 . . . . . . . . 5892 1 911 . 1 1 76 76 ARG CD C 13 44.248 0.6 . 1 . . . . . . . . 5892 1 912 . 1 1 76 76 ARG HD2 H 1 3.086 0.04 . 1 . . . . . . . . 5892 1 913 . 1 1 76 76 ARG HD3 H 1 3.086 0.04 . 1 . . . . . . . . 5892 1 914 . 1 1 77 77 ARG H H 1 8.504 0.04 . 1 . . . . . . . . 5892 1 915 . 1 1 77 77 ARG N N 15 122.911 0.1 . 1 . . . . . . . . 5892 1 916 . 1 1 77 77 ARG CA C 13 56.294 0.6 . 1 . . . . . . . . 5892 1 917 . 1 1 77 77 ARG HA H 1 4.651 0.04 . 1 . . . . . . . . 5892 1 918 . 1 1 77 77 ARG C C 13 176.510 0.6 . 1 . . . . . . . . 5892 1 919 . 1 1 77 77 ARG CB C 13 31.568 0.6 . 1 . . . . . . . . 5892 1 920 . 1 1 77 77 ARG HB2 H 1 1.524 0.04 . 1 . . . . . . . . 5892 1 921 . 1 1 77 77 ARG HB3 H 1 1.524 0.04 . 1 . . . . . . . . 5892 1 922 . 1 1 77 77 ARG CG C 13 28.398 0.6 . 1 . . . . . . . . 5892 1 923 . 1 1 77 77 ARG HG2 H 1 1.402 0.04 . 2 . . . . . . . . 5892 1 924 . 1 1 77 77 ARG HG3 H 1 1.252 0.04 . 2 . . . . . . . . 5892 1 925 . 1 1 77 77 ARG CD C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 926 . 1 1 77 77 ARG HD2 H 1 2.930 0.04 . 1 . . . . . . . . 5892 1 927 . 1 1 77 77 ARG HD3 H 1 2.930 0.04 . 1 . . . . . . . . 5892 1 928 . 1 1 78 78 ILE H H 1 9.312 0.04 . 1 . . . . . . . . 5892 1 929 . 1 1 78 78 ILE N N 15 125.932 0.1 . 1 . . . . . . . . 5892 1 930 . 1 1 78 78 ILE CA C 13 60.097 0.6 . 1 . . . . . . . . 5892 1 931 . 1 1 78 78 ILE HA H 1 4.453 0.04 . 1 . . . . . . . . 5892 1 932 . 1 1 78 78 ILE C C 13 177.339 0.6 . 1 . . . . . . . . 5892 1 933 . 1 1 78 78 ILE CB C 13 42.090 0.6 . 1 . . . . . . . . 5892 1 934 . 1 1 78 78 ILE HB H 1 1.721 0.04 . 1 . . . . . . . . 5892 1 935 . 1 1 78 78 ILE CG2 C 13 18.255 0.6 . 2 . . . . . . . . 5892 1 936 . 1 1 78 78 ILE HG21 H 1 0.864 0.04 . 1 . . . . . . . . 5892 1 937 . 1 1 78 78 ILE HG22 H 1 0.864 0.04 . 1 . . . . . . . . 5892 1 938 . 1 1 78 78 ILE HG23 H 1 0.864 0.04 . 1 . . . . . . . . 5892 1 939 . 1 1 78 78 ILE CG1 C 13 27.764 0.6 . 2 . . . . . . . . 5892 1 940 . 1 1 78 78 ILE HG12 H 1 1.420 0.04 . 2 . . . . . . . . 5892 1 941 . 1 1 78 78 ILE HG13 H 1 1.135 0.04 . 2 . . . . . . . . 5892 1 942 . 1 1 78 78 ILE CD1 C 13 14.451 0.6 . 1 . . . . . . . . 5892 1 943 . 1 1 78 78 ILE HD11 H 1 0.764 0.04 . 1 . . . . . . . . 5892 1 944 . 1 1 78 78 ILE HD12 H 1 0.764 0.04 . 1 . . . . . . . . 5892 1 945 . 1 1 78 78 ILE HD13 H 1 0.764 0.04 . 1 . . . . . . . . 5892 1 946 . 1 1 79 79 SER H H 1 9.041 0.04 . 1 . . . . . . . . 5892 1 947 . 1 1 79 79 SER N N 15 122.702 0.1 . 1 . . . . . . . . 5892 1 948 . 1 1 79 79 SER CA C 13 58.829 0.6 . 1 . . . . . . . . 5892 1 949 . 1 1 79 79 SER HA H 1 4.716 0.04 . 1 . . . . . . . . 5892 1 950 . 1 1 79 79 SER C C 13 179.362 0.6 . 1 . . . . . . . . 5892 1 951 . 1 1 79 79 SER CB C 13 64.459 0.6 . 1 . . . . . . . . 5892 1 952 . 1 1 79 79 SER HB2 H 1 3.665 0.04 . 2 . . . . . . . . 5892 1 953 . 1 1 79 79 SER HB3 H 1 3.475 0.04 . 2 . . . . . . . . 5892 1 954 . 1 1 80 80 TYR H H 1 8.433 0.04 . 1 . . . . . . . . 5892 1 955 . 1 1 80 80 TYR N N 15 118.038 0.1 . 1 . . . . . . . . 5892 1 956 . 1 1 80 80 TYR CA C 13 56.928 0.6 . 1 . . . . . . . . 5892 1 957 . 1 1 80 80 TYR HA H 1 5.441 0.04 . 1 . . . . . . . . 5892 1 958 . 1 1 80 80 TYR C C 13 180.048 0.6 . 1 . . . . . . . . 5892 1 959 . 1 1 80 80 TYR CB C 13 43.614 0.6 . 1 . . . . . . . . 5892 1 960 . 1 1 80 80 TYR HB2 H 1 2.762 0.04 . 2 . . . . . . . . 5892 1 961 . 1 1 80 80 TYR HB3 H 1 2.542 0.04 . 2 . . . . . . . . 5892 1 962 . 1 1 80 80 TYR CD1 C 13 132.640 0.6 . 1 . . . . . . . . 5892 1 963 . 1 1 80 80 TYR HD1 H 1 6.563 0.04 . 2 . . . . . . . . 5892 1 964 . 1 1 80 80 TYR CD2 C 13 132.640 0.6 . 1 . . . . . . . . 5892 1 965 . 1 1 80 80 TYR HD2 H 1 6.564 0.04 . 2 . . . . . . . . 5892 1 966 . 1 1 80 80 TYR CE1 C 13 117.281 0.6 . 1 . . . . . . . . 5892 1 967 . 1 1 80 80 TYR HE1 H 1 6.452 0.04 . 1 . . . . . . . . 5892 1 968 . 1 1 80 80 TYR CE2 C 13 117.281 0.6 . 1 . . . . . . . . 5892 1 969 . 1 1 80 80 TYR HE2 H 1 6.452 0.04 . 1 . . . . . . . . 5892 1 970 . 1 1 81 81 ILE H H 1 9.118 0.04 . 1 . . . . . . . . 5892 1 971 . 1 1 81 81 ILE N N 15 118.895 0.1 . 1 . . . . . . . . 5892 1 972 . 1 1 81 81 ILE CA C 13 60.097 0.6 . 1 . . . . . . . . 5892 1 973 . 1 1 81 81 ILE HA H 1 4.884 0.04 . 1 . . . . . . . . 5892 1 974 . 1 1 81 81 ILE C C 13 180.982 0.6 . 1 . . . . . . . . 5892 1 975 . 1 1 81 81 ILE CB C 13 44.248 0.6 . 1 . . . . . . . . 5892 1 976 . 1 1 81 81 ILE CD1 C 13 14.451 0.6 . 1 . . . . . . . . 5892 1 977 . 1 1 81 81 ILE HD11 H 1 0.350 0.04 . 1 . . . . . . . . 5892 1 978 . 1 1 81 81 ILE HD12 H 1 0.350 0.04 . 1 . . . . . . . . 5892 1 979 . 1 1 81 81 ILE HD13 H 1 0.350 0.04 . 1 . . . . . . . . 5892 1 980 . 1 1 82 82 LEU H H 1 9.016 0.04 . 1 . . . . . . . . 5892 1 981 . 1 1 82 82 LEU N N 15 125.087 0.1 . 1 . . . . . . . . 5892 1 982 . 1 1 82 82 LEU CA C 13 53.806 0.6 . 1 . . . . . . . . 5892 1 983 . 1 1 82 82 LEU HA H 1 5.176 0.04 . 1 . . . . . . . . 5892 1 984 . 1 1 82 82 LEU C C 13 176.179 0.6 . 1 . . . . . . . . 5892 1 985 . 1 1 82 82 LEU CB C 13 45.516 0.6 . 1 . . . . . . . . 5892 1 986 . 1 1 82 82 LEU HB2 H 1 1.601 0.04 . 2 . . . . . . . . 5892 1 987 . 1 1 82 82 LEU HB3 H 1 1.134 0.04 . 2 . . . . . . . . 5892 1 988 . 1 1 82 82 LEU CG C 13 26.493 0.6 . 1 . . . . . . . . 5892 1 989 . 1 1 82 82 LEU CD1 C 13 25.864 0.6 . 2 . . . . . . . . 5892 1 990 . 1 1 82 82 LEU HD11 H 1 0.663 0.04 . 2 . . . . . . . . 5892 1 991 . 1 1 82 82 LEU HD12 H 1 0.663 0.04 . 2 . . . . . . . . 5892 1 992 . 1 1 82 82 LEU HD13 H 1 0.663 0.04 . 2 . . . . . . . . 5892 1 993 . 1 1 82 82 LEU CD2 C 13 23.961 0.6 . 2 . . . . . . . . 5892 1 994 . 1 1 82 82 LEU HD21 H 1 0.624 0.04 . 2 . . . . . . . . 5892 1 995 . 1 1 82 82 LEU HD22 H 1 0.624 0.04 . 2 . . . . . . . . 5892 1 996 . 1 1 82 82 LEU HD23 H 1 0.624 0.04 . 2 . . . . . . . . 5892 1 997 . 1 1 82 82 LEU HG H 1 1.400 0.04 . 1 . . . . . . . . 5892 1 998 . 1 1 83 83 LEU H H 1 9.352 0.04 . 1 . . . . . . . . 5892 1 999 . 1 1 83 83 LEU N N 15 124.340 0.1 . 1 . . . . . . . . 5892 1 1000 . 1 1 83 83 LEU CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 1001 . 1 1 83 83 LEU HA H 1 4.692 0.04 . 1 . . . . . . . . 5892 1 1002 . 1 1 83 83 LEU C C 13 178.565 0.6 . 1 . . . . . . . . 5892 1 1003 . 1 1 83 83 LEU CB C 13 42.980 0.6 . 1 . . . . . . . . 5892 1 1004 . 1 1 83 83 LEU HB2 H 1 1.602 0.04 . 2 . . . . . . . . 5892 1 1005 . 1 1 83 83 LEU HB3 H 1 1.049 0.04 . 2 . . . . . . . . 5892 1 1006 . 1 1 83 83 LEU CG C 13 28.050 0.6 . 1 . . . . . . . . 5892 1 1007 . 1 1 83 83 LEU CD1 C 13 27.764 0.6 . 2 . . . . . . . . 5892 1 1008 . 1 1 83 83 LEU HD11 H 1 0.585 0.04 . 2 . . . . . . . . 5892 1 1009 . 1 1 83 83 LEU HD12 H 1 0.585 0.04 . 2 . . . . . . . . 5892 1 1010 . 1 1 83 83 LEU HD13 H 1 0.585 0.04 . 2 . . . . . . . . 5892 1 1011 . 1 1 83 83 LEU CD2 C 13 26.635 0.6 . 2 . . . . . . . . 5892 1 1012 . 1 1 83 83 LEU HD21 H 1 0.506 0.04 . 2 . . . . . . . . 5892 1 1013 . 1 1 83 83 LEU HD22 H 1 0.506 0.04 . 2 . . . . . . . . 5892 1 1014 . 1 1 83 83 LEU HD23 H 1 0.506 0.04 . 2 . . . . . . . . 5892 1 1015 . 1 1 83 83 LEU HG H 1 1.357 0.04 . 1 . . . . . . . . 5892 1 1016 . 1 1 84 84 ARG H H 1 8.465 0.04 . 1 . . . . . . . . 5892 1 1017 . 1 1 84 84 ARG N N 15 125.062 0.1 . 1 . . . . . . . . 5892 1 1018 . 1 1 84 84 ARG CA C 13 56.294 0.6 . 1 . . . . . . . . 5892 1 1019 . 1 1 84 84 ARG HA H 1 4.711 0.04 . 1 . . . . . . . . 5892 1 1020 . 1 1 84 84 ARG C C 13 178.795 0.6 . 1 . . . . . . . . 5892 1 1021 . 1 1 84 84 ARG CB C 13 32.202 0.6 . 1 . . . . . . . . 5892 1 1022 . 1 1 84 84 ARG HB2 H 1 1.708 0.04 . 2 . . . . . . . . 5892 1 1023 . 1 1 84 84 ARG HB3 H 1 1.515 0.04 . 2 . . . . . . . . 5892 1 1024 . 1 1 84 84 ARG CG C 13 28.398 0.6 . 1 . . . . . . . . 5892 1 1025 . 1 1 84 84 ARG HG2 H 1 1.251 0.04 . 2 . . . . . . . . 5892 1 1026 . 1 1 84 84 ARG HG3 H 1 1.132 0.04 . 2 . . . . . . . . 5892 1 1027 . 1 1 84 84 ARG CD C 13 44.248 0.6 . 1 . . . . . . . . 5892 1 1028 . 1 1 84 84 ARG HD2 H 1 2.892 0.04 . 1 . . . . . . . . 5892 1 1029 . 1 1 84 84 ARG HD3 H 1 2.892 0.04 . 1 . . . . . . . . 5892 1 1030 . 1 1 85 85 LEU H H 1 9.373 0.04 . 1 . . . . . . . . 5892 1 1031 . 1 1 85 85 LEU N N 15 128.217 0.1 . 1 . . . . . . . . 5892 1 1032 . 1 1 85 85 LEU CA C 13 53.902 0.6 . 1 . . . . . . . . 5892 1 1033 . 1 1 85 85 LEU HA H 1 5.186 0.04 . 1 . . . . . . . . 5892 1 1034 . 1 1 85 85 LEU C C 13 177.434 0.6 . 1 . . . . . . . . 5892 1 1035 . 1 1 85 85 LEU CB C 13 45.580 0.6 . 1 . . . . . . . . 5892 1 1036 . 1 1 85 85 LEU HB2 H 1 1.848 0.04 . 2 . . . . . . . . 5892 1 1037 . 1 1 85 85 LEU HB3 H 1 1.244 0.04 . 2 . . . . . . . . 5892 1 1038 . 1 1 85 85 LEU CD1 C 13 26.497 0.6 . 1 . . . . . . . . 5892 1 1039 . 1 1 85 85 LEU HD11 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1040 . 1 1 85 85 LEU HD12 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1041 . 1 1 85 85 LEU HD13 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1042 . 1 1 85 85 LEU CD2 C 13 26.497 0.6 . 1 . . . . . . . . 5892 1 1043 . 1 1 85 85 LEU HD21 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1044 . 1 1 85 85 LEU HD22 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1045 . 1 1 85 85 LEU HD23 H 1 0.702 0.04 . 1 . . . . . . . . 5892 1 1046 . 1 1 86 86 LYS H H 1 9.069 0.04 . 1 . . . . . . . . 5892 1 1047 . 1 1 86 86 LYS N N 15 121.379 0.1 . 1 . . . . . . . . 5892 1 1048 . 1 1 86 86 LYS CA C 13 54.392 0.6 . 1 . . . . . . . . 5892 1 1049 . 1 1 86 86 LYS HA H 1 5.306 0.04 . 1 . . . . . . . . 5892 1 1050 . 1 1 86 86 LYS C C 13 177.756 0.6 . 1 . . . . . . . . 5892 1 1051 . 1 1 86 86 LYS CB C 13 37.908 0.6 . 1 . . . . . . . . 5892 1 1052 . 1 1 86 86 LYS HB2 H 1 1.480 0.04 . 2 . . . . . . . . 5892 1 1053 . 1 1 86 86 LYS HB3 H 1 1.404 0.04 . 2 . . . . . . . . 5892 1 1054 . 1 1 86 86 LYS CG C 13 25.229 0.6 . 1 . . . . . . . . 5892 1 1055 . 1 1 86 86 LYS HG2 H 1 1.096 0.04 . 2 . . . . . . . . 5892 1 1056 . 1 1 86 86 LYS HG3 H 1 1.057 0.04 . 2 . . . . . . . . 5892 1 1057 . 1 1 86 86 LYS CD C 13 29.666 0.6 . 1 . . . . . . . . 5892 1 1058 . 1 1 86 86 LYS HD2 H 1 1.446 0.04 . 2 . . . . . . . . 5892 1 1059 . 1 1 86 86 LYS HD3 H 1 1.367 0.04 . 2 . . . . . . . . 5892 1 1060 . 1 1 86 86 LYS CE C 13 42.980 0.6 . 1 . . . . . . . . 5892 1 1061 . 1 1 86 86 LYS HE2 H 1 2.731 0.04 . 2 . . . . . . . . 5892 1 1062 . 1 1 86 86 LYS HE3 H 1 2.734 0.04 . 2 . . . . . . . . 5892 1 1063 . 1 1 87 87 ARG H H 1 8.589 0.04 . 1 . . . . . . . . 5892 1 1064 . 1 1 87 87 ARG N N 15 127.972 0.1 . 1 . . . . . . . . 5892 1 1065 . 1 1 87 87 ARG CA C 13 55.026 0.6 . 1 . . . . . . . . 5892 1 1066 . 1 1 87 87 ARG HA H 1 3.910 0.04 . 1 . . . . . . . . 5892 1 1067 . 1 1 87 87 ARG C C 13 177.831 0.6 . 1 . . . . . . . . 5892 1 1068 . 1 1 87 87 ARG CB C 13 30.300 0.6 . 1 . . . . . . . . 5892 1 1069 . 1 1 87 87 ARG HB2 H 1 1.134 0.04 . 2 . . . . . . . . 5892 1 1070 . 1 1 87 87 ARG HB3 H 1 1.133 0.04 . 2 . . . . . . . . 5892 1 1071 . 1 1 87 87 ARG CG C 13 27.131 0.6 . 1 . . . . . . . . 5892 1 1072 . 1 1 87 87 ARG HG2 H 1 0.793 0.04 . 2 . . . . . . . . 5892 1 1073 . 1 1 87 87 ARG HG3 H 1 0.578 0.04 . 2 . . . . . . . . 5892 1 1074 . 1 1 87 87 ARG CD C 13 42.980 0.6 . 1 . . . . . . . . 5892 1 1075 . 1 1 87 87 ARG HD2 H 1 2.688 0.04 . 2 . . . . . . . . 5892 1 1076 . 1 1 87 87 ARG HD3 H 1 2.073 0.04 . 2 . . . . . . . . 5892 1 1077 . 1 1 88 88 VAL H H 1 7.988 0.04 . 1 . . . . . . . . 5892 1 1078 . 1 1 88 88 VAL N N 15 126.669 0.1 . 1 . . . . . . . . 5892 1 1079 . 1 1 88 88 VAL CA C 13 61.999 0.6 . 1 . . . . . . . . 5892 1 1080 . 1 1 88 88 VAL HA H 1 3.906 0.04 . 1 . . . . . . . . 5892 1 1081 . 1 1 88 88 VAL C C 13 177.836 0.6 . 1 . . . . . . . . 5892 1 1082 . 1 1 88 88 VAL CB C 13 33.474 0.6 . 1 . . . . . . . . 5892 1 1083 . 1 1 88 88 VAL HB H 1 1.799 0.04 . 1 . . . . . . . . 5892 1 1084 . 1 1 88 88 VAL CG1 C 13 21.425 0.6 . 1 . . . . . . . . 5892 1 1085 . 1 1 88 88 VAL HG11 H 1 0.695 0.04 . 2 . . . . . . . . 5892 1 1086 . 1 1 88 88 VAL HG12 H 1 0.695 0.04 . 2 . . . . . . . . 5892 1 1087 . 1 1 88 88 VAL HG13 H 1 0.695 0.04 . 2 . . . . . . . . 5892 1 1088 . 1 1 88 88 VAL CG2 C 13 21.425 0.6 . 1 . . . . . . . . 5892 1 1089 . 1 1 88 88 VAL HG21 H 1 0.584 0.04 . 2 . . . . . . . . 5892 1 1090 . 1 1 88 88 VAL HG22 H 1 0.584 0.04 . 2 . . . . . . . . 5892 1 1091 . 1 1 88 88 VAL HG23 H 1 0.584 0.04 . 2 . . . . . . . . 5892 1 1092 . 1 1 89 89 TYR H H 1 7.705 0.04 . 1 . . . . . . . . 5892 1 1093 . 1 1 89 89 TYR N N 15 128.031 0.1 . 1 . . . . . . . . 5892 1 1094 . 1 1 89 89 TYR CA C 13 59.722 0.6 . 1 . . . . . . . . 5892 1 1095 . 1 1 89 89 TYR HA H 1 4.179 0.04 . 1 . . . . . . . . 5892 1 1096 . 1 1 89 89 TYR CB C 13 39.600 0.6 . 1 . . . . . . . . 5892 1 1097 . 1 1 89 89 TYR CD1 C 13 132.859 0.6 . 1 . . . . . . . . 5892 1 1098 . 1 1 89 89 TYR HD1 H 1 7.015 0.04 . 2 . . . . . . . . 5892 1 1099 . 1 1 89 89 TYR CD2 C 13 132.859 0.6 . 1 . . . . . . . . 5892 1 1100 . 1 1 89 89 TYR HD2 H 1 7.014 0.04 . 2 . . . . . . . . 5892 1 1101 . 1 1 89 89 TYR CE1 C 13 117.510 0.6 . 1 . . . . . . . . 5892 1 1102 . 1 1 89 89 TYR HE1 H 1 6.666 0.04 . 2 . . . . . . . . 5892 1 1103 . 1 1 89 89 TYR CE2 C 13 117.510 0.6 . 1 . . . . . . . . 5892 1 1104 . 1 1 89 89 TYR HE2 H 1 6.662 0.04 . 2 . . . . . . . . 5892 1 stop_ save_