data_5560 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5560 _Entry.Title ; NMR assignment of the conserved hypothetical protein TM1290 of Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-16 _Entry.Accession_date 2002-10-17 _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 Touraj Etezady-Esfarjani . . . 5560 2 Wolfgang Peti . . . 5560 3 Kurt Wuethrich . . . 5560 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5560 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 751 5560 '13C chemical shifts' 435 5560 '15N chemical shifts' 104 5560 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 . . 2004-05-12 . update BMRB 'Links to related BMRB entries inserted' 5560 2 . . 2003-02-18 . original author 'Original release' 5560 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6198 'homologous T. maritima protein TM1816' 5560 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5560 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR assignment of the conserved hypothetical protein TM1290 of Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 2 _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 167 _Citation.Page_last 168 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Touraj Etezady-Esfarjani . . . 5560 1 2 Wolfgang Peti . . . 5560 1 3 Kurt Wuethrich . . . 5560 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'hypothetical protein' 5560 1 'NMR assignment' 5560 1 'structural genomic' 5560 1 'Thermotoga Maritima' 5560 1 'triple resonance experiments' 5560 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM1290 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM1290 _Assembly.Entry_ID 5560 _Assembly.ID 1 _Assembly.Name 'TM1290 conserved hypothetical protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5560 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 'TM1290 monomer' 1 $Tm1290 . . . native . . . . . 5560 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes TrEMBL Q9X116 . . . . . . 5560 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TM1290 conserved hypothetical protein' system 5560 1 TM1290 abbreviation 5560 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tm1290 _Entity.Sf_category entity _Entity.Sf_framecode Tm1290 _Entity.Entry_ID 5560 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tm1290 _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 ; MARVAIPSVGKDLSSMVSDR FARAEYFIIYDTESGNVEVV ENTIADAHGTGPKVVQSLVS KGVEYLIASNVGRNAFETLK AAGVKVYRFEGGTVQEAIDA FSEGRLEELTTFTREG ; _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 116 _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 12538 _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 1RDU . "Nmr Structure Of A Putative Nifb Protein From Thermotoga (Tm1290), Which Belongs To The Duf35 Family" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 2 no GB AAD36364 . "conserved hypothetical protein [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 3 no GB ACB09867 . "Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga sp. RQ2]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 4 no GB AGL50222 . "Glycine-rich cell wall structural protein precursor [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 5 no GB AHD18807 . "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 6 no REF NP_229094 . "hypothetical protein TM1290 [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 7 no REF WP_004079939 . "MULTISPECIES: Dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 8 no REF YP_001739550 . "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga sp. RQ2]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 9 no REF YP_007977647 . "Glycine-rich cell wall structural protein precursor [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 10 no REF YP_008991614 . "dinitrogenase iron-molybdenum cofactor biosynthesis protein [Thermotoga maritima MSB8]" . . . . . 100.00 116 100.00 100.00 4.35e-76 . . . . 5560 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Tm1290 common 5560 1 Tm1290 abbreviation 5560 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 . 5560 1 2 . ALA . 5560 1 3 . ARG . 5560 1 4 . VAL . 5560 1 5 . ALA . 5560 1 6 . ILE . 5560 1 7 . PRO . 5560 1 8 . SER . 5560 1 9 . VAL . 5560 1 10 . GLY . 5560 1 11 . LYS . 5560 1 12 . ASP . 5560 1 13 . LEU . 5560 1 14 . SER . 5560 1 15 . SER . 5560 1 16 . MET . 5560 1 17 . VAL . 5560 1 18 . SER . 5560 1 19 . ASP . 5560 1 20 . ARG . 5560 1 21 . PHE . 5560 1 22 . ALA . 5560 1 23 . ARG . 5560 1 24 . ALA . 5560 1 25 . GLU . 5560 1 26 . TYR . 5560 1 27 . PHE . 5560 1 28 . ILE . 5560 1 29 . ILE . 5560 1 30 . TYR . 5560 1 31 . ASP . 5560 1 32 . THR . 5560 1 33 . GLU . 5560 1 34 . SER . 5560 1 35 . GLY . 5560 1 36 . ASN . 5560 1 37 . VAL . 5560 1 38 . GLU . 5560 1 39 . VAL . 5560 1 40 . VAL . 5560 1 41 . GLU . 5560 1 42 . ASN . 5560 1 43 . THR . 5560 1 44 . ILE . 5560 1 45 . ALA . 5560 1 46 . ASP . 5560 1 47 . ALA . 5560 1 48 . HIS . 5560 1 49 . GLY . 5560 1 50 . THR . 5560 1 51 . GLY . 5560 1 52 . PRO . 5560 1 53 . LYS . 5560 1 54 . VAL . 5560 1 55 . VAL . 5560 1 56 . GLN . 5560 1 57 . SER . 5560 1 58 . LEU . 5560 1 59 . VAL . 5560 1 60 . SER . 5560 1 61 . LYS . 5560 1 62 . GLY . 5560 1 63 . VAL . 5560 1 64 . GLU . 5560 1 65 . TYR . 5560 1 66 . LEU . 5560 1 67 . ILE . 5560 1 68 . ALA . 5560 1 69 . SER . 5560 1 70 . ASN . 5560 1 71 . VAL . 5560 1 72 . GLY . 5560 1 73 . ARG . 5560 1 74 . ASN . 5560 1 75 . ALA . 5560 1 76 . PHE . 5560 1 77 . GLU . 5560 1 78 . THR . 5560 1 79 . LEU . 5560 1 80 . LYS . 5560 1 81 . ALA . 5560 1 82 . ALA . 5560 1 83 . GLY . 5560 1 84 . VAL . 5560 1 85 . LYS . 5560 1 86 . VAL . 5560 1 87 . TYR . 5560 1 88 . ARG . 5560 1 89 . PHE . 5560 1 90 . GLU . 5560 1 91 . GLY . 5560 1 92 . GLY . 5560 1 93 . THR . 5560 1 94 . VAL . 5560 1 95 . GLN . 5560 1 96 . GLU . 5560 1 97 . ALA . 5560 1 98 . ILE . 5560 1 99 . ASP . 5560 1 100 . ALA . 5560 1 101 . PHE . 5560 1 102 . SER . 5560 1 103 . GLU . 5560 1 104 . GLY . 5560 1 105 . ARG . 5560 1 106 . LEU . 5560 1 107 . GLU . 5560 1 108 . GLU . 5560 1 109 . LEU . 5560 1 110 . THR . 5560 1 111 . THR . 5560 1 112 . PHE . 5560 1 113 . THR . 5560 1 114 . ARG . 5560 1 115 . GLU . 5560 1 116 . GLY . 5560 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 5560 1 . ALA 2 2 5560 1 . ARG 3 3 5560 1 . VAL 4 4 5560 1 . ALA 5 5 5560 1 . ILE 6 6 5560 1 . PRO 7 7 5560 1 . SER 8 8 5560 1 . VAL 9 9 5560 1 . GLY 10 10 5560 1 . LYS 11 11 5560 1 . ASP 12 12 5560 1 . LEU 13 13 5560 1 . SER 14 14 5560 1 . SER 15 15 5560 1 . MET 16 16 5560 1 . VAL 17 17 5560 1 . SER 18 18 5560 1 . ASP 19 19 5560 1 . ARG 20 20 5560 1 . PHE 21 21 5560 1 . ALA 22 22 5560 1 . ARG 23 23 5560 1 . ALA 24 24 5560 1 . GLU 25 25 5560 1 . TYR 26 26 5560 1 . PHE 27 27 5560 1 . ILE 28 28 5560 1 . ILE 29 29 5560 1 . TYR 30 30 5560 1 . ASP 31 31 5560 1 . THR 32 32 5560 1 . GLU 33 33 5560 1 . SER 34 34 5560 1 . GLY 35 35 5560 1 . ASN 36 36 5560 1 . VAL 37 37 5560 1 . GLU 38 38 5560 1 . VAL 39 39 5560 1 . VAL 40 40 5560 1 . GLU 41 41 5560 1 . ASN 42 42 5560 1 . THR 43 43 5560 1 . ILE 44 44 5560 1 . ALA 45 45 5560 1 . ASP 46 46 5560 1 . ALA 47 47 5560 1 . HIS 48 48 5560 1 . GLY 49 49 5560 1 . THR 50 50 5560 1 . GLY 51 51 5560 1 . PRO 52 52 5560 1 . LYS 53 53 5560 1 . VAL 54 54 5560 1 . VAL 55 55 5560 1 . GLN 56 56 5560 1 . SER 57 57 5560 1 . LEU 58 58 5560 1 . VAL 59 59 5560 1 . SER 60 60 5560 1 . LYS 61 61 5560 1 . GLY 62 62 5560 1 . VAL 63 63 5560 1 . GLU 64 64 5560 1 . TYR 65 65 5560 1 . LEU 66 66 5560 1 . ILE 67 67 5560 1 . ALA 68 68 5560 1 . SER 69 69 5560 1 . ASN 70 70 5560 1 . VAL 71 71 5560 1 . GLY 72 72 5560 1 . ARG 73 73 5560 1 . ASN 74 74 5560 1 . ALA 75 75 5560 1 . PHE 76 76 5560 1 . GLU 77 77 5560 1 . THR 78 78 5560 1 . LEU 79 79 5560 1 . LYS 80 80 5560 1 . ALA 81 81 5560 1 . ALA 82 82 5560 1 . GLY 83 83 5560 1 . VAL 84 84 5560 1 . LYS 85 85 5560 1 . VAL 86 86 5560 1 . TYR 87 87 5560 1 . ARG 88 88 5560 1 . PHE 89 89 5560 1 . GLU 90 90 5560 1 . GLY 91 91 5560 1 . GLY 92 92 5560 1 . THR 93 93 5560 1 . VAL 94 94 5560 1 . GLN 95 95 5560 1 . GLU 96 96 5560 1 . ALA 97 97 5560 1 . ILE 98 98 5560 1 . ASP 99 99 5560 1 . ALA 100 100 5560 1 . PHE 101 101 5560 1 . SER 102 102 5560 1 . GLU 103 103 5560 1 . GLY 104 104 5560 1 . ARG 105 105 5560 1 . LEU 106 106 5560 1 . GLU 107 107 5560 1 . GLU 108 108 5560 1 . LEU 109 109 5560 1 . THR 110 110 5560 1 . THR 111 111 5560 1 . PHE 112 112 5560 1 . THR 113 113 5560 1 . ARG 114 114 5560 1 . GLU 115 115 5560 1 . GLY 116 116 5560 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 5560 _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 $Tm1290 . 2336 . . 'Thermotoga maritima' 'Thermotoga Maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 5560 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 5560 _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 $Tm1290 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5560 _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 Tm1290 '[U-98% 13C; U-98% 15N]' . . 1 $Tm1290 . . 3.8 . . mM . . . . 5560 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5560 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tm1290 '[U-98% 15N]' . . 1 $Tm1290 . . 2.3 . . mM . . . . 5560 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5560 _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 6.0 0.1 na 5560 1 temperature 313 0.1 K 5560 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5560 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5560 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5560 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5560 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 5560 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 5560 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 5560 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 5 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 6 '1H-1H-15N-resolved NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 7 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 8 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 9 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5560 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-1H-15N-resolved NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5560 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5560 _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 1.000000000 . . . . . . . . . 5560 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5560 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5560 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 5560 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TOCSY' . . . 5560 1 2 HNCACB . . . 5560 1 3 HNCO . . . 5560 1 4 CBCA(CO)NH . . . 5560 1 5 '1H-13C NOESY' . . . 5560 1 6 '1H-1H-15N-resolved NOESY' . . . 5560 1 7 '1H-1H NOESY' . . . 5560 1 8 '1H-15N HSQC' . . . 5560 1 9 '1H-13C HSQC' . . . 5560 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 ALA CA C 13 51.5 0.05 . 1 . . . . . . . . 5560 1 2 . 1 1 2 2 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 5560 1 3 . 1 1 2 2 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 5560 1 4 . 1 1 2 2 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5560 1 5 . 1 1 2 2 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5560 1 6 . 1 1 2 2 ALA CB C 13 20.4 0.05 . 1 . . . . . . . . 5560 1 7 . 1 1 2 2 ALA C C 13 173.7 0.05 . 1 . . . . . . . . 5560 1 8 . 1 1 3 3 ARG N N 15 122.2 0.02 . 1 . . . . . . . . 5560 1 9 . 1 1 3 3 ARG H H 1 9.26 0.02 . 1 . . . . . . . . 5560 1 10 . 1 1 3 3 ARG CA C 13 56.1 0.05 . 1 . . . . . . . . 5560 1 11 . 1 1 3 3 ARG HA H 1 5.25 0.02 . 1 . . . . . . . . 5560 1 12 . 1 1 3 3 ARG CB C 13 31.3 0.05 . 1 . . . . . . . . 5560 1 13 . 1 1 3 3 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5560 1 14 . 1 1 3 3 ARG HB3 H 1 1.54 0.02 . 2 . . . . . . . . 5560 1 15 . 1 1 3 3 ARG CG C 13 28.0 0.05 . 1 . . . . . . . . 5560 1 16 . 1 1 3 3 ARG HG2 H 1 1.68 0.02 . 2 . . . . . . . . 5560 1 17 . 1 1 3 3 ARG HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5560 1 18 . 1 1 3 3 ARG CD C 13 43.4 0.05 . 1 . . . . . . . . 5560 1 19 . 1 1 3 3 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 5560 1 20 . 1 1 3 3 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 5560 1 21 . 1 1 3 3 ARG C C 13 175.0 0.05 . 1 . . . . . . . . 5560 1 22 . 1 1 4 4 VAL N N 15 126.1 0.02 . 1 . . . . . . . . 5560 1 23 . 1 1 4 4 VAL H H 1 9.27 0.02 . 1 . . . . . . . . 5560 1 24 . 1 1 4 4 VAL CA C 13 58.9 0.05 . 1 . . . . . . . . 5560 1 25 . 1 1 4 4 VAL HA H 1 5.07 0.02 . 1 . . . . . . . . 5560 1 26 . 1 1 4 4 VAL CB C 13 34.8 0.05 . 1 . . . . . . . . 5560 1 27 . 1 1 4 4 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 5560 1 28 . 1 1 4 4 VAL HG11 H 1 0.52 0.02 . 2 . . . . . . . . 5560 1 29 . 1 1 4 4 VAL HG12 H 1 0.52 0.02 . 2 . . . . . . . . 5560 1 30 . 1 1 4 4 VAL HG13 H 1 0.52 0.02 . 2 . . . . . . . . 5560 1 31 . 1 1 4 4 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5560 1 32 . 1 1 4 4 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5560 1 33 . 1 1 4 4 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5560 1 34 . 1 1 4 4 VAL CG1 C 13 21.2 0.05 . 1 . . . . . . . . 5560 1 35 . 1 1 4 4 VAL CG2 C 13 20.2 0.05 . 1 . . . . . . . . 5560 1 36 . 1 1 4 4 VAL C C 13 173.5 0.05 . 1 . . . . . . . . 5560 1 37 . 1 1 5 5 ALA N N 15 126.7 0.02 . 1 . . . . . . . . 5560 1 38 . 1 1 5 5 ALA H H 1 8.87 0.02 . 1 . . . . . . . . 5560 1 39 . 1 1 5 5 ALA CA C 13 49.8 0.05 . 1 . . . . . . . . 5560 1 40 . 1 1 5 5 ALA HA H 1 5.95 0.02 . 1 . . . . . . . . 5560 1 41 . 1 1 5 5 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5560 1 42 . 1 1 5 5 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5560 1 43 . 1 1 5 5 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5560 1 44 . 1 1 5 5 ALA CB C 13 23.7 0.05 . 1 . . . . . . . . 5560 1 45 . 1 1 5 5 ALA C C 13 176.4 0.05 . 1 . . . . . . . . 5560 1 46 . 1 1 6 6 ILE N N 15 120.6 0.02 . 1 . . . . . . . . 5560 1 47 . 1 1 6 6 ILE H H 1 9.24 0.02 . 1 . . . . . . . . 5560 1 48 . 1 1 6 6 ILE CA C 13 59.0 0.05 . 1 . . . . . . . . 5560 1 49 . 1 1 6 6 ILE HA H 1 5.40 0.02 . 1 . . . . . . . . 5560 1 50 . 1 1 6 6 ILE CB C 13 43.6 0.05 . 1 . . . . . . . . 5560 1 51 . 1 1 6 6 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 5560 1 52 . 1 1 6 6 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5560 1 53 . 1 1 6 6 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5560 1 54 . 1 1 6 6 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5560 1 55 . 1 1 6 6 ILE CG2 C 13 21.9 0.05 . 1 . . . . . . . . 5560 1 56 . 1 1 6 6 ILE CG1 C 13 30.1 0.05 . 1 . . . . . . . . 5560 1 57 . 1 1 6 6 ILE HG12 H 1 1.53 0.02 . 2 . . . . . . . . 5560 1 58 . 1 1 6 6 ILE HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5560 1 59 . 1 1 6 6 ILE HD11 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 60 . 1 1 6 6 ILE HD12 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 61 . 1 1 6 6 ILE HD13 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 62 . 1 1 6 6 ILE CD1 C 13 16.5 0.05 . 1 . . . . . . . . 5560 1 63 . 1 1 7 7 PRO CD C 13 52.7 0.05 . 1 . . . . . . . . 5560 1 64 . 1 1 7 7 PRO CA C 13 61.9 0.05 . 1 . . . . . . . . 5560 1 65 . 1 1 7 7 PRO HA H 1 4.61 0.02 . 1 . . . . . . . . 5560 1 66 . 1 1 7 7 PRO CB C 13 32.3 0.05 . 1 . . . . . . . . 5560 1 67 . 1 1 7 7 PRO HB2 H 1 2.11 0.02 . 1 . . . . . . . . 5560 1 68 . 1 1 7 7 PRO HB3 H 1 2.11 0.02 . 1 . . . . . . . . 5560 1 69 . 1 1 7 7 PRO CG C 13 27.9 0.05 . 1 . . . . . . . . 5560 1 70 . 1 1 7 7 PRO HG2 H 1 2.80 0.02 . 2 . . . . . . . . 5560 1 71 . 1 1 7 7 PRO HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5560 1 72 . 1 1 7 7 PRO HD2 H 1 4.26 0.02 . 2 . . . . . . . . 5560 1 73 . 1 1 7 7 PRO HD3 H 1 4.67 0.02 . 2 . . . . . . . . 5560 1 74 . 1 1 7 7 PRO C C 13 176.7 0.05 . 1 . . . . . . . . 5560 1 75 . 1 1 8 8 SER N N 15 118.4 0.02 . 1 . . . . . . . . 5560 1 76 . 1 1 8 8 SER H H 1 9.20 0.02 . 1 . . . . . . . . 5560 1 77 . 1 1 8 8 SER CA C 13 56.7 0.05 . 1 . . . . . . . . 5560 1 78 . 1 1 8 8 SER HA H 1 5.10 0.02 . 1 . . . . . . . . 5560 1 79 . 1 1 8 8 SER CB C 13 66.0 0.05 . 1 . . . . . . . . 5560 1 80 . 1 1 8 8 SER HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5560 1 81 . 1 1 8 8 SER HB3 H 1 3.52 0.02 . 2 . . . . . . . . 5560 1 82 . 1 1 8 8 SER HG H 1 4.51 0.02 . 1 . . . . . . . . 5560 1 83 . 1 1 8 8 SER C C 13 173.9 0.05 . 1 . . . . . . . . 5560 1 84 . 1 1 9 9 VAL N N 15 117.8 0.02 . 1 . . . . . . . . 5560 1 85 . 1 1 9 9 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5560 1 86 . 1 1 9 9 VAL CA C 13 61.9 0.05 . 1 . . . . . . . . 5560 1 87 . 1 1 9 9 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . 5560 1 88 . 1 1 9 9 VAL CB C 13 31.6 0.05 . 1 . . . . . . . . 5560 1 89 . 1 1 9 9 VAL HB H 1 2.38 0.02 . 1 . . . . . . . . 5560 1 90 . 1 1 9 9 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 5560 1 91 . 1 1 9 9 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 5560 1 92 . 1 1 9 9 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 5560 1 93 . 1 1 9 9 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 5560 1 94 . 1 1 9 9 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 5560 1 95 . 1 1 9 9 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 5560 1 96 . 1 1 9 9 VAL CG1 C 13 21.2 0.05 . 1 . . . . . . . . 5560 1 97 . 1 1 9 9 VAL CG2 C 13 20.2 0.05 . 1 . . . . . . . . 5560 1 98 . 1 1 9 9 VAL C C 13 176.4 0.05 . 1 . . . . . . . . 5560 1 99 . 1 1 10 10 GLY N N 15 107.7 0.02 . 1 . . . . . . . . 5560 1 100 . 1 1 10 10 GLY H H 1 8.05 0.02 . 1 . . . . . . . . 5560 1 101 . 1 1 10 10 GLY CA C 13 44.6 0.05 . 1 . . . . . . . . 5560 1 102 . 1 1 10 10 GLY HA2 H 1 4.38 0.02 . 2 . . . . . . . . 5560 1 103 . 1 1 10 10 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5560 1 104 . 1 1 10 10 GLY C C 13 172.1 0.05 . 1 . . . . . . . . 5560 1 105 . 1 1 11 11 LYS N N 15 113.9 0.02 . 1 . . . . . . . . 5560 1 106 . 1 1 11 11 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 5560 1 107 . 1 1 11 11 LYS CA C 13 55.8 0.05 . 1 . . . . . . . . 5560 1 108 . 1 1 11 11 LYS HA H 1 3.67 0.02 . 1 . . . . . . . . 5560 1 109 . 1 1 11 11 LYS CB C 13 32.9 0.05 . 1 . . . . . . . . 5560 1 110 . 1 1 11 11 LYS HB2 H 1 1.37 0.02 . 2 . . . . . . . . 5560 1 111 . 1 1 11 11 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 5560 1 112 . 1 1 11 11 LYS CG C 13 23.7 0.05 . 1 . . . . . . . . 5560 1 113 . 1 1 11 11 LYS HG2 H 1 0.69 0.02 . 2 . . . . . . . . 5560 1 114 . 1 1 11 11 LYS HG3 H 1 0.42 0.02 . 2 . . . . . . . . 5560 1 115 . 1 1 11 11 LYS CD C 13 29.5 0.05 . 1 . . . . . . . . 5560 1 116 . 1 1 11 11 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 5560 1 117 . 1 1 11 11 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 5560 1 118 . 1 1 11 11 LYS CE C 13 41.9 0.05 . 1 . . . . . . . . 5560 1 119 . 1 1 11 11 LYS HE2 H 1 2.82 0.02 . 1 . . . . . . . . 5560 1 120 . 1 1 11 11 LYS HE3 H 1 2.82 0.02 . 1 . . . . . . . . 5560 1 121 . 1 1 11 11 LYS C C 13 174.4 0.05 . 1 . . . . . . . . 5560 1 122 . 1 1 12 12 ASP N N 15 115.8 0.02 . 1 . . . . . . . . 5560 1 123 . 1 1 12 12 ASP H H 1 7.47 0.02 . 1 . . . . . . . . 5560 1 124 . 1 1 12 12 ASP CA C 13 52.6 0.05 . 1 . . . . . . . . 5560 1 125 . 1 1 12 12 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5560 1 126 . 1 1 12 12 ASP CB C 13 44.2 0.05 . 1 . . . . . . . . 5560 1 127 . 1 1 12 12 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5560 1 128 . 1 1 12 12 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5560 1 129 . 1 1 12 12 ASP C C 13 175.4 0.05 . 1 . . . . . . . . 5560 1 130 . 1 1 13 13 LEU N N 15 119.1 0.02 . 1 . . . . . . . . 5560 1 131 . 1 1 13 13 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 5560 1 132 . 1 1 13 13 LEU CA C 13 57.4 0.05 . 1 . . . . . . . . 5560 1 133 . 1 1 13 13 LEU HA H 1 3.91 0.02 . 1 . . . . . . . . 5560 1 134 . 1 1 13 13 LEU CB C 13 41.0 0.05 . 1 . . . . . . . . 5560 1 135 . 1 1 13 13 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5560 1 136 . 1 1 13 13 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 5560 1 137 . 1 1 13 13 LEU CG C 13 27.5 0.05 . 1 . . . . . . . . 5560 1 138 . 1 1 13 13 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5560 1 139 . 1 1 13 13 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 140 . 1 1 13 13 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 141 . 1 1 13 13 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 142 . 1 1 13 13 LEU HD21 H 1 0.66 0.02 . 2 . . . . . . . . 5560 1 143 . 1 1 13 13 LEU HD22 H 1 0.66 0.02 . 2 . . . . . . . . 5560 1 144 . 1 1 13 13 LEU HD23 H 1 0.66 0.02 . 2 . . . . . . . . 5560 1 145 . 1 1 13 13 LEU CD1 C 13 24.9 0.05 . 1 . . . . . . . . 5560 1 146 . 1 1 13 13 LEU CD2 C 13 23.4 0.05 . 1 . . . . . . . . 5560 1 147 . 1 1 13 13 LEU C C 13 176.2 0.05 . 1 . . . . . . . . 5560 1 148 . 1 1 14 14 SER N N 15 109.4 0.02 . 1 . . . . . . . . 5560 1 149 . 1 1 14 14 SER H H 1 7.71 0.02 . 1 . . . . . . . . 5560 1 150 . 1 1 14 14 SER CA C 13 57.9 0.05 . 1 . . . . . . . . 5560 1 151 . 1 1 14 14 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5560 1 152 . 1 1 14 14 SER CB C 13 63.5 0.05 . 1 . . . . . . . . 5560 1 153 . 1 1 14 14 SER HB2 H 1 4.05 0.02 . 2 . . . . . . . . 5560 1 154 . 1 1 14 14 SER HB3 H 1 3.81 0.02 . 2 . . . . . . . . 5560 1 155 . 1 1 14 14 SER C C 13 174.4 0.05 . 1 . . . . . . . . 5560 1 156 . 1 1 15 15 SER N N 15 118.4 0.02 . 1 . . . . . . . . 5560 1 157 . 1 1 15 15 SER H H 1 7.55 0.02 . 1 . . . . . . . . 5560 1 158 . 1 1 15 15 SER CA C 13 59.2 0.05 . 1 . . . . . . . . 5560 1 159 . 1 1 15 15 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 5560 1 160 . 1 1 15 15 SER CB C 13 64.3 0.05 . 1 . . . . . . . . 5560 1 161 . 1 1 15 15 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5560 1 162 . 1 1 15 15 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . 5560 1 163 . 1 1 15 15 SER C C 13 172.5 0.05 . 1 . . . . . . . . 5560 1 164 . 1 1 16 16 MET N N 15 119.6 0.02 . 1 . . . . . . . . 5560 1 165 . 1 1 16 16 MET H H 1 8.12 0.02 . 1 . . . . . . . . 5560 1 166 . 1 1 16 16 MET CA C 13 55.1 0.05 . 1 . . . . . . . . 5560 1 167 . 1 1 16 16 MET HA H 1 4.63 0.02 . 1 . . . . . . . . 5560 1 168 . 1 1 16 16 MET CB C 13 31.6 0.05 . 1 . . . . . . . . 5560 1 169 . 1 1 16 16 MET HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5560 1 170 . 1 1 16 16 MET HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5560 1 171 . 1 1 16 16 MET CG C 13 32.7 0.05 . 1 . . . . . . . . 5560 1 172 . 1 1 16 16 MET HG2 H 1 2.76 0.02 . 2 . . . . . . . . 5560 1 173 . 1 1 16 16 MET HG3 H 1 2.63 0.02 . 2 . . . . . . . . 5560 1 174 . 1 1 16 16 MET HE1 H 1 2.05 0.02 . 1 . . . . . . . . 5560 1 175 . 1 1 16 16 MET HE2 H 1 2.05 0.02 . 1 . . . . . . . . 5560 1 176 . 1 1 16 16 MET HE3 H 1 2.05 0.02 . 1 . . . . . . . . 5560 1 177 . 1 1 16 16 MET CE C 13 16.7 0.05 . 1 . . . . . . . . 5560 1 178 . 1 1 16 16 MET C C 13 177.0 0.05 . 1 . . . . . . . . 5560 1 179 . 1 1 17 17 VAL N N 15 121.9 0.02 . 1 . . . . . . . . 5560 1 180 . 1 1 17 17 VAL H H 1 8.63 0.02 . 1 . . . . . . . . 5560 1 181 . 1 1 17 17 VAL CA C 13 63.6 0.05 . 1 . . . . . . . . 5560 1 182 . 1 1 17 17 VAL HA H 1 4.25 0.02 . 1 . . . . . . . . 5560 1 183 . 1 1 17 17 VAL CB C 13 31.9 0.05 . 1 . . . . . . . . 5560 1 184 . 1 1 17 17 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 5560 1 185 . 1 1 17 17 VAL HG11 H 1 1.25 0.02 . 2 . . . . . . . . 5560 1 186 . 1 1 17 17 VAL HG12 H 1 1.25 0.02 . 2 . . . . . . . . 5560 1 187 . 1 1 17 17 VAL HG13 H 1 1.25 0.02 . 2 . . . . . . . . 5560 1 188 . 1 1 17 17 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 189 . 1 1 17 17 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 190 . 1 1 17 17 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 191 . 1 1 17 17 VAL CG1 C 13 20.3 0.05 . 1 . . . . . . . . 5560 1 192 . 1 1 17 17 VAL CG2 C 13 23.5 0.05 . 1 . . . . . . . . 5560 1 193 . 1 1 17 17 VAL C C 13 177.8 0.05 . 1 . . . . . . . . 5560 1 194 . 1 1 18 18 SER N N 15 121.4 0.02 . 1 . . . . . . . . 5560 1 195 . 1 1 18 18 SER H H 1 8.02 0.02 . 1 . . . . . . . . 5560 1 196 . 1 1 18 18 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 5560 1 197 . 1 1 18 18 SER HA H 1 4.22 0.02 . 1 . . . . . . . . 5560 1 198 . 1 1 18 18 SER CB C 13 63.7 0.05 . 1 . . . . . . . . 5560 1 199 . 1 1 18 18 SER HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5560 1 200 . 1 1 18 18 SER HB3 H 1 3.64 0.02 . 2 . . . . . . . . 5560 1 201 . 1 1 18 18 SER C C 13 174.6 0.05 . 1 . . . . . . . . 5560 1 202 . 1 1 19 19 ASP N N 15 125.5 0.02 . 1 . . . . . . . . 5560 1 203 . 1 1 19 19 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 5560 1 204 . 1 1 19 19 ASP CA C 13 54.5 0.05 . 1 . . . . . . . . 5560 1 205 . 1 1 19 19 ASP HA H 1 4.69 0.02 . 1 . . . . . . . . 5560 1 206 . 1 1 19 19 ASP CB C 13 40.3 0.05 . 1 . . . . . . . . 5560 1 207 . 1 1 19 19 ASP HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5560 1 208 . 1 1 19 19 ASP HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5560 1 209 . 1 1 19 19 ASP C C 13 175.4 0.05 . 1 . . . . . . . . 5560 1 210 . 1 1 20 20 ARG N N 15 119.4 0.02 . 1 . . . . . . . . 5560 1 211 . 1 1 20 20 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 5560 1 212 . 1 1 20 20 ARG CA C 13 54.6 0.05 . 1 . . . . . . . . 5560 1 213 . 1 1 20 20 ARG HA H 1 4.63 0.02 . 1 . . . . . . . . 5560 1 214 . 1 1 20 20 ARG CB C 13 32.1 0.05 . 1 . . . . . . . . 5560 1 215 . 1 1 20 20 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5560 1 216 . 1 1 20 20 ARG HB3 H 1 1.56 0.02 . 2 . . . . . . . . 5560 1 217 . 1 1 20 20 ARG CG C 13 26.1 0.05 . 1 . . . . . . . . 5560 1 218 . 1 1 20 20 ARG HG2 H 1 1.53 0.02 . 1 . . . . . . . . 5560 1 219 . 1 1 20 20 ARG HG3 H 1 1.53 0.02 . 1 . . . . . . . . 5560 1 220 . 1 1 20 20 ARG CD C 13 43.8 0.05 . 1 . . . . . . . . 5560 1 221 . 1 1 20 20 ARG HD2 H 1 3.06 0.02 . 2 . . . . . . . . 5560 1 222 . 1 1 20 20 ARG HD3 H 1 3.01 0.02 . 2 . . . . . . . . 5560 1 223 . 1 1 20 20 ARG C C 13 174.5 0.05 . 1 . . . . . . . . 5560 1 224 . 1 1 21 21 PHE N N 15 119.0 0.02 . 1 . . . . . . . . 5560 1 225 . 1 1 21 21 PHE H H 1 8.48 0.02 . 1 . . . . . . . . 5560 1 226 . 1 1 21 21 PHE CA C 13 60.8 0.05 . 1 . . . . . . . . 5560 1 227 . 1 1 21 21 PHE HA H 1 4.71 0.02 . 1 . . . . . . . . 5560 1 228 . 1 1 21 21 PHE CB C 13 40.4 0.05 . 1 . . . . . . . . 5560 1 229 . 1 1 21 21 PHE HB2 H 1 3.53 0.02 . 2 . . . . . . . . 5560 1 230 . 1 1 21 21 PHE HB3 H 1 3.36 0.02 . 2 . . . . . . . . 5560 1 231 . 1 1 21 21 PHE HD1 H 1 7.40 0.02 . 1 . . . . . . . . 5560 1 232 . 1 1 21 21 PHE HD2 H 1 7.40 0.02 . 1 . . . . . . . . 5560 1 233 . 1 1 21 21 PHE HE1 H 1 7.15 0.02 . 1 . . . . . . . . 5560 1 234 . 1 1 21 21 PHE HE2 H 1 7.15 0.02 . 1 . . . . . . . . 5560 1 235 . 1 1 21 21 PHE HZ H 1 6.73 0.02 . 1 . . . . . . . . 5560 1 236 . 1 1 21 21 PHE C C 13 174.5 0.05 . 1 . . . . . . . . 5560 1 237 . 1 1 22 22 ALA N N 15 123.0 0.02 . 1 . . . . . . . . 5560 1 238 . 1 1 22 22 ALA H H 1 9.11 0.02 . 1 . . . . . . . . 5560 1 239 . 1 1 22 22 ALA CA C 13 55.1 0.05 . 1 . . . . . . . . 5560 1 240 . 1 1 22 22 ALA HA H 1 3.67 0.02 . 1 . . . . . . . . 5560 1 241 . 1 1 22 22 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 242 . 1 1 22 22 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 243 . 1 1 22 22 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 244 . 1 1 22 22 ALA CB C 13 18.0 0.05 . 1 . . . . . . . . 5560 1 245 . 1 1 22 22 ALA C C 13 178.4 0.05 . 1 . . . . . . . . 5560 1 246 . 1 1 23 23 ARG N N 15 110.9 0.02 . 1 . . . . . . . . 5560 1 247 . 1 1 23 23 ARG H H 1 7.78 0.02 . 1 . . . . . . . . 5560 1 248 . 1 1 23 23 ARG CA C 13 53.9 0.05 . 1 . . . . . . . . 5560 1 249 . 1 1 23 23 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 5560 1 250 . 1 1 23 23 ARG CB C 13 29.6 0.05 . 1 . . . . . . . . 5560 1 251 . 1 1 23 23 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5560 1 252 . 1 1 23 23 ARG HB3 H 1 1.45 0.02 . 2 . . . . . . . . 5560 1 253 . 1 1 23 23 ARG CG C 13 27.1 0.05 . 1 . . . . . . . . 5560 1 254 . 1 1 23 23 ARG HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5560 1 255 . 1 1 23 23 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 5560 1 256 . 1 1 23 23 ARG CD C 13 43.2 0.05 . 1 . . . . . . . . 5560 1 257 . 1 1 23 23 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 5560 1 258 . 1 1 23 23 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 5560 1 259 . 1 1 23 23 ARG C C 13 175.6 0.05 . 1 . . . . . . . . 5560 1 260 . 1 1 24 24 ALA N N 15 123.9 0.02 . 1 . . . . . . . . 5560 1 261 . 1 1 24 24 ALA H H 1 7.01 0.02 . 1 . . . . . . . . 5560 1 262 . 1 1 24 24 ALA CA C 13 53.2 0.05 . 1 . . . . . . . . 5560 1 263 . 1 1 24 24 ALA HA H 1 3.77 0.02 . 1 . . . . . . . . 5560 1 264 . 1 1 24 24 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 5560 1 265 . 1 1 24 24 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 5560 1 266 . 1 1 24 24 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 5560 1 267 . 1 1 24 24 ALA CB C 13 19.2 0.05 . 1 . . . . . . . . 5560 1 268 . 1 1 24 24 ALA C C 13 177.3 0.05 . 1 . . . . . . . . 5560 1 269 . 1 1 25 25 GLU N N 15 122.8 0.02 . 1 . . . . . . . . 5560 1 270 . 1 1 25 25 GLU H H 1 9.39 0.02 . 1 . . . . . . . . 5560 1 271 . 1 1 25 25 GLU CA C 13 61.4 0.05 . 1 . . . . . . . . 5560 1 272 . 1 1 25 25 GLU HA H 1 3.67 0.02 . 1 . . . . . . . . 5560 1 273 . 1 1 25 25 GLU CB C 13 29.8 0.05 . 1 . . . . . . . . 5560 1 274 . 1 1 25 25 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5560 1 275 . 1 1 25 25 GLU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 5560 1 276 . 1 1 25 25 GLU CG C 13 37.9 0.05 . 1 . . . . . . . . 5560 1 277 . 1 1 25 25 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5560 1 278 . 1 1 25 25 GLU HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5560 1 279 . 1 1 25 25 GLU C C 13 176.4 0.05 . 1 . . . . . . . . 5560 1 280 . 1 1 26 26 TYR N N 15 113.4 0.02 . 1 . . . . . . . . 5560 1 281 . 1 1 26 26 TYR H H 1 7.96 0.02 . 1 . . . . . . . . 5560 1 282 . 1 1 26 26 TYR CA C 13 55.9 0.05 . 1 . . . . . . . . 5560 1 283 . 1 1 26 26 TYR HA H 1 5.03 0.02 . 1 . . . . . . . . 5560 1 284 . 1 1 26 26 TYR CB C 13 43.0 0.05 . 1 . . . . . . . . 5560 1 285 . 1 1 26 26 TYR HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5560 1 286 . 1 1 26 26 TYR HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5560 1 287 . 1 1 26 26 TYR HD1 H 1 6.66 0.02 . 1 . . . . . . . . 5560 1 288 . 1 1 26 26 TYR HD2 H 1 6.66 0.02 . 1 . . . . . . . . 5560 1 289 . 1 1 26 26 TYR HE1 H 1 6.71 0.02 . 1 . . . . . . . . 5560 1 290 . 1 1 26 26 TYR HE2 H 1 6.71 0.02 . 1 . . . . . . . . 5560 1 291 . 1 1 26 26 TYR C C 13 174.3 0.05 . 1 . . . . . . . . 5560 1 292 . 1 1 27 27 PHE N N 15 115.7 0.02 . 1 . . . . . . . . 5560 1 293 . 1 1 27 27 PHE H H 1 9.11 0.02 . 1 . . . . . . . . 5560 1 294 . 1 1 27 27 PHE CA C 13 57.6 0.05 . 1 . . . . . . . . 5560 1 295 . 1 1 27 27 PHE HA H 1 5.04 0.02 . 1 . . . . . . . . 5560 1 296 . 1 1 27 27 PHE CB C 13 41.8 0.05 . 1 . . . . . . . . 5560 1 297 . 1 1 27 27 PHE HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5560 1 298 . 1 1 27 27 PHE HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5560 1 299 . 1 1 27 27 PHE HD1 H 1 6.77 0.02 . 1 . . . . . . . . 5560 1 300 . 1 1 27 27 PHE HD2 H 1 6.77 0.02 . 1 . . . . . . . . 5560 1 301 . 1 1 27 27 PHE HE1 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 302 . 1 1 27 27 PHE HE2 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 303 . 1 1 27 27 PHE HZ H 1 6.75 0.02 . 1 . . . . . . . . 5560 1 304 . 1 1 27 27 PHE C C 13 174.5 0.05 . 1 . . . . . . . . 5560 1 305 . 1 1 28 28 ILE N N 15 125.0 0.02 . 1 . . . . . . . . 5560 1 306 . 1 1 28 28 ILE H H 1 9.06 0.02 . 1 . . . . . . . . 5560 1 307 . 1 1 28 28 ILE CA C 13 59.8 0.05 . 1 . . . . . . . . 5560 1 308 . 1 1 28 28 ILE HA H 1 4.57 0.02 . 1 . . . . . . . . 5560 1 309 . 1 1 28 28 ILE CB C 13 38.1 0.05 . 1 . . . . . . . . 5560 1 310 . 1 1 28 28 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 5560 1 311 . 1 1 28 28 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5560 1 312 . 1 1 28 28 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5560 1 313 . 1 1 28 28 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5560 1 314 . 1 1 28 28 ILE CG2 C 13 17.4 0.05 . 1 . . . . . . . . 5560 1 315 . 1 1 28 28 ILE CG1 C 13 28.7 0.05 . 1 . . . . . . . . 5560 1 316 . 1 1 28 28 ILE HG12 H 1 1.46 0.02 . 2 . . . . . . . . 5560 1 317 . 1 1 28 28 ILE HG13 H 1 1.34 0.02 . 2 . . . . . . . . 5560 1 318 . 1 1 28 28 ILE HD11 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 319 . 1 1 28 28 ILE HD12 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 320 . 1 1 28 28 ILE HD13 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 321 . 1 1 28 28 ILE CD1 C 13 11.8 0.05 . 1 . . . . . . . . 5560 1 322 . 1 1 28 28 ILE C C 13 175.3 0.05 . 1 . . . . . . . . 5560 1 323 . 1 1 29 29 ILE N N 15 127.1 0.02 . 1 . . . . . . . . 5560 1 324 . 1 1 29 29 ILE H H 1 9.34 0.02 . 1 . . . . . . . . 5560 1 325 . 1 1 29 29 ILE CA C 13 59.8 0.05 . 1 . . . . . . . . 5560 1 326 . 1 1 29 29 ILE HA H 1 5.06 0.02 . 1 . . . . . . . . 5560 1 327 . 1 1 29 29 ILE CB C 13 38.2 0.05 . 1 . . . . . . . . 5560 1 328 . 1 1 29 29 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 5560 1 329 . 1 1 29 29 ILE HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5560 1 330 . 1 1 29 29 ILE HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5560 1 331 . 1 1 29 29 ILE HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5560 1 332 . 1 1 29 29 ILE CG2 C 13 17.7 0.05 . 1 . . . . . . . . 5560 1 333 . 1 1 29 29 ILE CG1 C 13 27.3 0.05 . 1 . . . . . . . . 5560 1 334 . 1 1 29 29 ILE HG12 H 1 1.49 0.02 . 2 . . . . . . . . 5560 1 335 . 1 1 29 29 ILE HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 336 . 1 1 29 29 ILE HD11 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 337 . 1 1 29 29 ILE HD12 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 338 . 1 1 29 29 ILE HD13 H 1 0.67 0.02 . 1 . . . . . . . . 5560 1 339 . 1 1 29 29 ILE CD1 C 13 13.6 0.05 . 1 . . . . . . . . 5560 1 340 . 1 1 29 29 ILE C C 13 174.7 0.05 . 1 . . . . . . . . 5560 1 341 . 1 1 30 30 TYR N N 15 130.6 0.02 . 1 . . . . . . . . 5560 1 342 . 1 1 30 30 TYR H H 1 9.60 0.02 . 1 . . . . . . . . 5560 1 343 . 1 1 30 30 TYR CA C 13 56.1 0.05 . 1 . . . . . . . . 5560 1 344 . 1 1 30 30 TYR HA H 1 5.16 0.02 . 1 . . . . . . . . 5560 1 345 . 1 1 30 30 TYR CB C 13 42.3 0.05 . 1 . . . . . . . . 5560 1 346 . 1 1 30 30 TYR HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5560 1 347 . 1 1 30 30 TYR HB3 H 1 2.50 0.02 . 2 . . . . . . . . 5560 1 348 . 1 1 30 30 TYR HD1 H 1 6.69 0.02 . 1 . . . . . . . . 5560 1 349 . 1 1 30 30 TYR HD2 H 1 6.69 0.02 . 1 . . . . . . . . 5560 1 350 . 1 1 30 30 TYR HE1 H 1 6.64 0.02 . 1 . . . . . . . . 5560 1 351 . 1 1 30 30 TYR HE2 H 1 6.64 0.02 . 1 . . . . . . . . 5560 1 352 . 1 1 30 30 TYR C C 13 173.1 0.05 . 1 . . . . . . . . 5560 1 353 . 1 1 31 31 ASP N N 15 127.7 0.02 . 1 . . . . . . . . 5560 1 354 . 1 1 31 31 ASP H H 1 7.58 0.02 . 1 . . . . . . . . 5560 1 355 . 1 1 31 31 ASP CA C 13 52.0 0.05 . 1 . . . . . . . . 5560 1 356 . 1 1 31 31 ASP HA H 1 5.23 0.02 . 1 . . . . . . . . 5560 1 357 . 1 1 31 31 ASP CB C 13 42.9 0.05 . 1 . . . . . . . . 5560 1 358 . 1 1 31 31 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5560 1 359 . 1 1 31 31 ASP HB3 H 1 2.31 0.02 . 2 . . . . . . . . 5560 1 360 . 1 1 31 31 ASP C C 13 176.5 0.05 . 1 . . . . . . . . 5560 1 361 . 1 1 32 32 THR N N 15 114.8 0.02 . 1 . . . . . . . . 5560 1 362 . 1 1 32 32 THR H H 1 9.04 0.02 . 1 . . . . . . . . 5560 1 363 . 1 1 32 32 THR CA C 13 63.9 0.05 . 1 . . . . . . . . 5560 1 364 . 1 1 32 32 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 5560 1 365 . 1 1 32 32 THR CB C 13 68.6 0.05 . 1 . . . . . . . . 5560 1 366 . 1 1 32 32 THR HB H 1 4.54 0.02 . 1 . . . . . . . . 5560 1 367 . 1 1 32 32 THR HG21 H 1 1.47 0.02 . 1 . . . . . . . . 5560 1 368 . 1 1 32 32 THR HG22 H 1 1.47 0.02 . 1 . . . . . . . . 5560 1 369 . 1 1 32 32 THR HG23 H 1 1.47 0.02 . 1 . . . . . . . . 5560 1 370 . 1 1 32 32 THR CG2 C 13 21.6 0.05 . 1 . . . . . . . . 5560 1 371 . 1 1 32 32 THR C C 13 176.2 0.05 . 1 . . . . . . . . 5560 1 372 . 1 1 33 33 GLU N N 15 120.5 0.02 . 1 . . . . . . . . 5560 1 373 . 1 1 33 33 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 5560 1 374 . 1 1 33 33 GLU CA C 13 57.9 0.05 . 1 . . . . . . . . 5560 1 375 . 1 1 33 33 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5560 1 376 . 1 1 33 33 GLU CB C 13 29.9 0.05 . 1 . . . . . . . . 5560 1 377 . 1 1 33 33 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5560 1 378 . 1 1 33 33 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5560 1 379 . 1 1 33 33 GLU CG C 13 36.7 0.05 . 1 . . . . . . . . 5560 1 380 . 1 1 33 33 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5560 1 381 . 1 1 33 33 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 5560 1 382 . 1 1 33 33 GLU C C 13 177.1 0.05 . 1 . . . . . . . . 5560 1 383 . 1 1 34 34 SER N N 15 111.5 0.02 . 1 . . . . . . . . 5560 1 384 . 1 1 34 34 SER H H 1 7.61 0.02 . 1 . . . . . . . . 5560 1 385 . 1 1 34 34 SER CA C 13 58.0 0.05 . 1 . . . . . . . . 5560 1 386 . 1 1 34 34 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 5560 1 387 . 1 1 34 34 SER CB C 13 65.3 0.05 . 1 . . . . . . . . 5560 1 388 . 1 1 34 34 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 5560 1 389 . 1 1 34 34 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5560 1 390 . 1 1 34 34 SER C C 13 175.9 0.05 . 1 . . . . . . . . 5560 1 391 . 1 1 35 35 GLY N N 15 112.8 0.02 . 1 . . . . . . . . 5560 1 392 . 1 1 35 35 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5560 1 393 . 1 1 35 35 GLY CA C 13 45.4 0.05 . 1 . . . . . . . . 5560 1 394 . 1 1 35 35 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 5560 1 395 . 1 1 35 35 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 5560 1 396 . 1 1 35 35 GLY C C 13 173.3 0.05 . 1 . . . . . . . . 5560 1 397 . 1 1 36 36 ASN N N 15 117.5 0.02 . 1 . . . . . . . . 5560 1 398 . 1 1 36 36 ASN H H 1 7.58 0.02 . 1 . . . . . . . . 5560 1 399 . 1 1 36 36 ASN CA C 13 53.9 0.05 . 1 . . . . . . . . 5560 1 400 . 1 1 36 36 ASN HA H 1 4.54 0.02 . 1 . . . . . . . . 5560 1 401 . 1 1 36 36 ASN CB C 13 39.8 0.05 . 1 . . . . . . . . 5560 1 402 . 1 1 36 36 ASN HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5560 1 403 . 1 1 36 36 ASN HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5560 1 404 . 1 1 36 36 ASN C C 13 174.0 0.05 . 1 . . . . . . . . 5560 1 405 . 1 1 37 37 VAL N N 15 120.2 0.02 . 1 . . . . . . . . 5560 1 406 . 1 1 37 37 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5560 1 407 . 1 1 37 37 VAL CA C 13 60.7 0.05 . 1 . . . . . . . . 5560 1 408 . 1 1 37 37 VAL HA H 1 5.04 0.02 . 1 . . . . . . . . 5560 1 409 . 1 1 37 37 VAL CB C 13 35.2 0.05 . 1 . . . . . . . . 5560 1 410 . 1 1 37 37 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5560 1 411 . 1 1 37 37 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 412 . 1 1 37 37 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 413 . 1 1 37 37 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 414 . 1 1 37 37 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 5560 1 415 . 1 1 37 37 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 5560 1 416 . 1 1 37 37 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 5560 1 417 . 1 1 37 37 VAL CG1 C 13 22.0 0.05 . 1 . . . . . . . . 5560 1 418 . 1 1 37 37 VAL CG2 C 13 21.7 0.05 . 1 . . . . . . . . 5560 1 419 . 1 1 37 37 VAL C C 13 175.4 0.05 . 1 . . . . . . . . 5560 1 420 . 1 1 38 38 GLU N N 15 127.5 0.02 . 1 . . . . . . . . 5560 1 421 . 1 1 38 38 GLU H H 1 9.10 0.02 . 1 . . . . . . . . 5560 1 422 . 1 1 38 38 GLU CA C 13 54.6 0.05 . 1 . . . . . . . . 5560 1 423 . 1 1 38 38 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5560 1 424 . 1 1 38 38 GLU CB C 13 33.3 0.05 . 1 . . . . . . . . 5560 1 425 . 1 1 38 38 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5560 1 426 . 1 1 38 38 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5560 1 427 . 1 1 38 38 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5560 1 428 . 1 1 38 38 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5560 1 429 . 1 1 38 38 GLU HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5560 1 430 . 1 1 38 38 GLU C C 13 174.1 0.05 . 1 . . . . . . . . 5560 1 431 . 1 1 39 39 VAL N N 15 124.2 0.02 . 1 . . . . . . . . 5560 1 432 . 1 1 39 39 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 5560 1 433 . 1 1 39 39 VAL CA C 13 61.9 0.05 . 1 . . . . . . . . 5560 1 434 . 1 1 39 39 VAL HA H 1 4.67 0.02 . 1 . . . . . . . . 5560 1 435 . 1 1 39 39 VAL CB C 13 33.3 0.05 . 1 . . . . . . . . 5560 1 436 . 1 1 39 39 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 5560 1 437 . 1 1 39 39 VAL HG11 H 1 0.82 0.02 . 2 . . . . . . . . 5560 1 438 . 1 1 39 39 VAL HG12 H 1 0.82 0.02 . 2 . . . . . . . . 5560 1 439 . 1 1 39 39 VAL HG13 H 1 0.82 0.02 . 2 . . . . . . . . 5560 1 440 . 1 1 39 39 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 5560 1 441 . 1 1 39 39 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 5560 1 442 . 1 1 39 39 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 5560 1 443 . 1 1 39 39 VAL CG1 C 13 21.8 0.05 . 1 . . . . . . . . 5560 1 444 . 1 1 39 39 VAL CG2 C 13 21.2 0.05 . 1 . . . . . . . . 5560 1 445 . 1 1 39 39 VAL C C 13 175.9 0.05 . 1 . . . . . . . . 5560 1 446 . 1 1 40 40 VAL N N 15 129.4 0.02 . 1 . . . . . . . . 5560 1 447 . 1 1 40 40 VAL H H 1 9.44 0.02 . 1 . . . . . . . . 5560 1 448 . 1 1 40 40 VAL CA C 13 61.0 0.05 . 1 . . . . . . . . 5560 1 449 . 1 1 40 40 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 5560 1 450 . 1 1 40 40 VAL CB C 13 34.2 0.05 . 1 . . . . . . . . 5560 1 451 . 1 1 40 40 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 5560 1 452 . 1 1 40 40 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 453 . 1 1 40 40 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 454 . 1 1 40 40 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 455 . 1 1 40 40 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 456 . 1 1 40 40 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 457 . 1 1 40 40 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5560 1 458 . 1 1 40 40 VAL CG1 C 13 20.6 0.05 . 1 . . . . . . . . 5560 1 459 . 1 1 40 40 VAL CG2 C 13 20.9 0.05 . 1 . . . . . . . . 5560 1 460 . 1 1 40 40 VAL C C 13 175.4 0.05 . 1 . . . . . . . . 5560 1 461 . 1 1 41 41 GLU N N 15 127.9 0.02 . 1 . . . . . . . . 5560 1 462 . 1 1 41 41 GLU H H 1 8.93 0.02 . 1 . . . . . . . . 5560 1 463 . 1 1 41 41 GLU CA C 13 56.5 0.05 . 1 . . . . . . . . 5560 1 464 . 1 1 41 41 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5560 1 465 . 1 1 41 41 GLU CB C 13 30.1 0.05 . 1 . . . . . . . . 5560 1 466 . 1 1 41 41 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5560 1 467 . 1 1 41 41 GLU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5560 1 468 . 1 1 41 41 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5560 1 469 . 1 1 41 41 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 5560 1 470 . 1 1 41 41 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 5560 1 471 . 1 1 41 41 GLU C C 13 175.7 0.05 . 1 . . . . . . . . 5560 1 472 . 1 1 42 42 ASN N N 15 124.7 0.02 . 1 . . . . . . . . 5560 1 473 . 1 1 42 42 ASN H H 1 8.06 0.02 . 1 . . . . . . . . 5560 1 474 . 1 1 42 42 ASN CA C 13 52.1 0.05 . 1 . . . . . . . . 5560 1 475 . 1 1 42 42 ASN HA H 1 4.86 0.02 . 1 . . . . . . . . 5560 1 476 . 1 1 42 42 ASN CB C 13 37.9 0.05 . 1 . . . . . . . . 5560 1 477 . 1 1 42 42 ASN HB2 H 1 3.16 0.02 . 2 . . . . . . . . 5560 1 478 . 1 1 42 42 ASN HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5560 1 479 . 1 1 42 42 ASN C C 13 175.3 0.05 . 1 . . . . . . . . 5560 1 480 . 1 1 43 43 THR N N 15 116.0 0.02 . 1 . . . . . . . . 5560 1 481 . 1 1 43 43 THR H H 1 7.85 0.02 . 1 . . . . . . . . 5560 1 482 . 1 1 43 43 THR CA C 13 61.7 0.05 . 1 . . . . . . . . 5560 1 483 . 1 1 43 43 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 5560 1 484 . 1 1 43 43 THR CB C 13 68.9 0.05 . 1 . . . . . . . . 5560 1 485 . 1 1 43 43 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 5560 1 486 . 1 1 43 43 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 5560 1 487 . 1 1 43 43 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 5560 1 488 . 1 1 43 43 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 5560 1 489 . 1 1 43 43 THR CG2 C 13 21.7 0.05 . 1 . . . . . . . . 5560 1 490 . 1 1 43 43 THR C C 13 174.9 0.05 . 1 . . . . . . . . 5560 1 491 . 1 1 44 44 ILE N N 15 121.9 0.02 . 1 . . . . . . . . 5560 1 492 . 1 1 44 44 ILE H H 1 7.69 0.02 . 1 . . . . . . . . 5560 1 493 . 1 1 44 44 ILE CA C 13 61.4 0.05 . 1 . . . . . . . . 5560 1 494 . 1 1 44 44 ILE HA H 1 4.05 0.02 . 1 . . . . . . . . 5560 1 495 . 1 1 44 44 ILE CB C 13 37.7 0.05 . 1 . . . . . . . . 5560 1 496 . 1 1 44 44 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5560 1 497 . 1 1 44 44 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5560 1 498 . 1 1 44 44 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5560 1 499 . 1 1 44 44 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5560 1 500 . 1 1 44 44 ILE CG2 C 13 18.3 0.05 . 1 . . . . . . . . 5560 1 501 . 1 1 44 44 ILE CG1 C 13 27.7 0.05 . 1 . . . . . . . . 5560 1 502 . 1 1 44 44 ILE HG12 H 1 1.41 0.02 . 2 . . . . . . . . 5560 1 503 . 1 1 44 44 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 5560 1 504 . 1 1 44 44 ILE HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5560 1 505 . 1 1 44 44 ILE HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5560 1 506 . 1 1 44 44 ILE HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5560 1 507 . 1 1 44 44 ILE CD1 C 13 13.2 0.05 . 1 . . . . . . . . 5560 1 508 . 1 1 44 44 ILE C C 13 175.7 0.05 . 1 . . . . . . . . 5560 1 509 . 1 1 45 45 ALA N N 15 127.3 0.02 . 1 . . . . . . . . 5560 1 510 . 1 1 45 45 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 5560 1 511 . 1 1 45 45 ALA CA C 13 52.6 0.05 . 1 . . . . . . . . 5560 1 512 . 1 1 45 45 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5560 1 513 . 1 1 45 45 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5560 1 514 . 1 1 45 45 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5560 1 515 . 1 1 45 45 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5560 1 516 . 1 1 45 45 ALA CB C 13 19.5 0.05 . 1 . . . . . . . . 5560 1 517 . 1 1 45 45 ALA C C 13 177.1 0.05 . 1 . . . . . . . . 5560 1 518 . 1 1 46 46 ASP N N 15 118.6 0.02 . 1 . . . . . . . . 5560 1 519 . 1 1 46 46 ASP H H 1 7.89 0.02 . 1 . . . . . . . . 5560 1 520 . 1 1 46 46 ASP CA C 13 54.3 0.05 . 1 . . . . . . . . 5560 1 521 . 1 1 46 46 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5560 1 522 . 1 1 46 46 ASP CB C 13 41.4 0.05 . 1 . . . . . . . . 5560 1 523 . 1 1 46 46 ASP HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5560 1 524 . 1 1 46 46 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5560 1 525 . 1 1 47 47 ALA CA C 13 53.0 0.05 . 1 . . . . . . . . 5560 1 526 . 1 1 47 47 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 5560 1 527 . 1 1 47 47 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 5560 1 528 . 1 1 47 47 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 5560 1 529 . 1 1 47 47 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 5560 1 530 . 1 1 47 47 ALA CB C 13 19.1 0.05 . 1 . . . . . . . . 5560 1 531 . 1 1 48 48 HIS CD2 C 13 120.6 0.05 . 1 . . . . . . . . 5560 1 532 . 1 1 48 48 HIS CE1 C 13 138.5 0.05 . 1 . . . . . . . . 5560 1 533 . 1 1 48 48 HIS HD2 H 1 7.10 0.02 . 1 . . . . . . . . 5560 1 534 . 1 1 48 48 HIS HE1 H 1 8.05 0.02 . 1 . . . . . . . . 5560 1 535 . 1 1 52 52 PRO CD C 13 50.5 0.05 . 1 . . . . . . . . 5560 1 536 . 1 1 52 52 PRO CA C 13 65.5 0.05 . 1 . . . . . . . . 5560 1 537 . 1 1 52 52 PRO HA H 1 4.21 0.02 . 1 . . . . . . . . 5560 1 538 . 1 1 52 52 PRO CB C 13 31.9 0.05 . 1 . . . . . . . . 5560 1 539 . 1 1 52 52 PRO HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5560 1 540 . 1 1 52 52 PRO HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5560 1 541 . 1 1 52 52 PRO CG C 13 28.0 0.05 . 1 . . . . . . . . 5560 1 542 . 1 1 52 52 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5560 1 543 . 1 1 52 52 PRO HG3 H 1 1.76 0.02 . 2 . . . . . . . . 5560 1 544 . 1 1 52 52 PRO HD2 H 1 3.70 0.02 . 2 . . . . . . . . 5560 1 545 . 1 1 52 52 PRO HD3 H 1 3.52 0.02 . 2 . . . . . . . . 5560 1 546 . 1 1 53 53 LYS CA C 13 58.8 0.05 . 1 . . . . . . . . 5560 1 547 . 1 1 53 53 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5560 1 548 . 1 1 53 53 LYS CB C 13 32.1 0.05 . 1 . . . . . . . . 5560 1 549 . 1 1 53 53 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5560 1 550 . 1 1 53 53 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5560 1 551 . 1 1 53 53 LYS CG C 13 25.4 0.05 . 1 . . . . . . . . 5560 1 552 . 1 1 53 53 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5560 1 553 . 1 1 53 53 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5560 1 554 . 1 1 53 53 LYS CD C 13 29.1 0.05 . 1 . . . . . . . . 5560 1 555 . 1 1 53 53 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5560 1 556 . 1 1 53 53 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5560 1 557 . 1 1 53 53 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5560 1 558 . 1 1 53 53 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5560 1 559 . 1 1 53 53 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5560 1 560 . 1 1 53 53 LYS C C 13 179.3 0.05 . 1 . . . . . . . . 5560 1 561 . 1 1 54 54 VAL N N 15 121.7 0.02 . 1 . . . . . . . . 5560 1 562 . 1 1 54 54 VAL H H 1 8.14 0.02 . 1 . . . . . . . . 5560 1 563 . 1 1 54 54 VAL CA C 13 66.2 0.05 . 1 . . . . . . . . 5560 1 564 . 1 1 54 54 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 5560 1 565 . 1 1 54 54 VAL CB C 13 31.1 0.05 . 1 . . . . . . . . 5560 1 566 . 1 1 54 54 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5560 1 567 . 1 1 54 54 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 5560 1 568 . 1 1 54 54 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 5560 1 569 . 1 1 54 54 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 5560 1 570 . 1 1 54 54 VAL HG21 H 1 0.41 0.02 . 2 . . . . . . . . 5560 1 571 . 1 1 54 54 VAL HG22 H 1 0.41 0.02 . 2 . . . . . . . . 5560 1 572 . 1 1 54 54 VAL HG23 H 1 0.41 0.02 . 2 . . . . . . . . 5560 1 573 . 1 1 54 54 VAL CG1 C 13 22.6 0.05 . 1 . . . . . . . . 5560 1 574 . 1 1 54 54 VAL CG2 C 13 21.9 0.05 . 1 . . . . . . . . 5560 1 575 . 1 1 54 54 VAL C C 13 178.5 0.05 . 1 . . . . . . . . 5560 1 576 . 1 1 55 55 VAL N N 15 119.1 0.02 . 1 . . . . . . . . 5560 1 577 . 1 1 55 55 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 5560 1 578 . 1 1 55 55 VAL CA C 13 68.0 0.05 . 1 . . . . . . . . 5560 1 579 . 1 1 55 55 VAL HA H 1 3.30 0.02 . 1 . . . . . . . . 5560 1 580 . 1 1 55 55 VAL CB C 13 31.1 0.05 . 1 . . . . . . . . 5560 1 581 . 1 1 55 55 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 5560 1 582 . 1 1 55 55 VAL HG11 H 1 0.74 0.02 . 2 . . . . . . . . 5560 1 583 . 1 1 55 55 VAL HG12 H 1 0.74 0.02 . 2 . . . . . . . . 5560 1 584 . 1 1 55 55 VAL HG13 H 1 0.74 0.02 . 2 . . . . . . . . 5560 1 585 . 1 1 55 55 VAL HG21 H 1 1.14 0.02 . 2 . . . . . . . . 5560 1 586 . 1 1 55 55 VAL HG22 H 1 1.14 0.02 . 2 . . . . . . . . 5560 1 587 . 1 1 55 55 VAL HG23 H 1 1.14 0.02 . 2 . . . . . . . . 5560 1 588 . 1 1 55 55 VAL CG1 C 13 21.2 0.05 . 1 . . . . . . . . 5560 1 589 . 1 1 55 55 VAL CG2 C 13 23.4 0.05 . 1 . . . . . . . . 5560 1 590 . 1 1 55 55 VAL C C 13 177.4 0.05 . 1 . . . . . . . . 5560 1 591 . 1 1 56 56 GLN N N 15 117.8 0.02 . 1 . . . . . . . . 5560 1 592 . 1 1 56 56 GLN H H 1 7.99 0.02 . 1 . . . . . . . . 5560 1 593 . 1 1 56 56 GLN CA C 13 59.1 0.05 . 1 . . . . . . . . 5560 1 594 . 1 1 56 56 GLN HA H 1 3.90 0.02 . 1 . . . . . . . . 5560 1 595 . 1 1 56 56 GLN CB C 13 27.8 0.05 . 1 . . . . . . . . 5560 1 596 . 1 1 56 56 GLN HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5560 1 597 . 1 1 56 56 GLN HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5560 1 598 . 1 1 56 56 GLN CG C 13 33.7 0.05 . 1 . . . . . . . . 5560 1 599 . 1 1 56 56 GLN HG2 H 1 2.41 0.02 . 1 . . . . . . . . 5560 1 600 . 1 1 56 56 GLN HG3 H 1 2.41 0.02 . 1 . . . . . . . . 5560 1 601 . 1 1 56 56 GLN C C 13 178.8 0.05 . 1 . . . . . . . . 5560 1 602 . 1 1 57 57 SER N N 15 115.9 0.02 . 1 . . . . . . . . 5560 1 603 . 1 1 57 57 SER H H 1 7.80 0.02 . 1 . . . . . . . . 5560 1 604 . 1 1 57 57 SER CA C 13 61.5 0.05 . 1 . . . . . . . . 5560 1 605 . 1 1 57 57 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 5560 1 606 . 1 1 57 57 SER CB C 13 62.8 0.05 . 1 . . . . . . . . 5560 1 607 . 1 1 57 57 SER HB2 H 1 3.94 0.02 . 2 . . . . . . . . 5560 1 608 . 1 1 57 57 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 5560 1 609 . 1 1 57 57 SER C C 13 176.3 0.05 . 1 . . . . . . . . 5560 1 610 . 1 1 58 58 LEU N N 15 120.2 0.02 . 1 . . . . . . . . 5560 1 611 . 1 1 58 58 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5560 1 612 . 1 1 58 58 LEU CA C 13 57.5 0.05 . 1 . . . . . . . . 5560 1 613 . 1 1 58 58 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 5560 1 614 . 1 1 58 58 LEU CB C 13 40.9 0.05 . 1 . . . . . . . . 5560 1 615 . 1 1 58 58 LEU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5560 1 616 . 1 1 58 58 LEU HB3 H 1 0.93 0.02 . 2 . . . . . . . . 5560 1 617 . 1 1 58 58 LEU CG C 13 25.7 0.05 . 1 . . . . . . . . 5560 1 618 . 1 1 58 58 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5560 1 619 . 1 1 58 58 LEU HD11 H 1 0.29 0.02 . 2 . . . . . . . . 5560 1 620 . 1 1 58 58 LEU HD12 H 1 0.29 0.02 . 2 . . . . . . . . 5560 1 621 . 1 1 58 58 LEU HD13 H 1 0.29 0.02 . 2 . . . . . . . . 5560 1 622 . 1 1 58 58 LEU HD21 H 1 0.25 0.02 . 2 . . . . . . . . 5560 1 623 . 1 1 58 58 LEU HD22 H 1 0.25 0.02 . 2 . . . . . . . . 5560 1 624 . 1 1 58 58 LEU HD23 H 1 0.25 0.02 . 2 . . . . . . . . 5560 1 625 . 1 1 58 58 LEU CD1 C 13 25.1 0.05 . 1 . . . . . . . . 5560 1 626 . 1 1 58 58 LEU CD2 C 13 21.0 0.05 . 1 . . . . . . . . 5560 1 627 . 1 1 58 58 LEU C C 13 179.4 0.05 . 1 . . . . . . . . 5560 1 628 . 1 1 59 59 VAL N N 15 120.8 0.02 . 1 . . . . . . . . 5560 1 629 . 1 1 59 59 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 5560 1 630 . 1 1 59 59 VAL CA C 13 66.7 0.05 . 1 . . . . . . . . 5560 1 631 . 1 1 59 59 VAL HA H 1 3.64 0.02 . 1 . . . . . . . . 5560 1 632 . 1 1 59 59 VAL CB C 13 31.5 0.05 . 1 . . . . . . . . 5560 1 633 . 1 1 59 59 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5560 1 634 . 1 1 59 59 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 5560 1 635 . 1 1 59 59 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 5560 1 636 . 1 1 59 59 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 5560 1 637 . 1 1 59 59 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 638 . 1 1 59 59 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 639 . 1 1 59 59 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 5560 1 640 . 1 1 59 59 VAL CG1 C 13 22.4 0.05 . 1 . . . . . . . . 5560 1 641 . 1 1 59 59 VAL CG2 C 13 21.0 0.05 . 1 . . . . . . . . 5560 1 642 . 1 1 59 59 VAL C C 13 180.7 0.05 . 1 . . . . . . . . 5560 1 643 . 1 1 60 60 SER N N 15 117.1 0.02 . 1 . . . . . . . . 5560 1 644 . 1 1 60 60 SER H H 1 8.22 0.02 . 1 . . . . . . . . 5560 1 645 . 1 1 60 60 SER CA C 13 61.4 0.05 . 1 . . . . . . . . 5560 1 646 . 1 1 60 60 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 5560 1 647 . 1 1 60 60 SER CB C 13 62.9 0.05 . 1 . . . . . . . . 5560 1 648 . 1 1 60 60 SER HB2 H 1 4.02 0.02 . 1 . . . . . . . . 5560 1 649 . 1 1 60 60 SER HB3 H 1 4.02 0.02 . 1 . . . . . . . . 5560 1 650 . 1 1 60 60 SER C C 13 175.2 0.05 . 1 . . . . . . . . 5560 1 651 . 1 1 61 61 LYS N N 15 119.9 0.02 . 1 . . . . . . . . 5560 1 652 . 1 1 61 61 LYS H H 1 7.24 0.02 . 1 . . . . . . . . 5560 1 653 . 1 1 61 61 LYS CA C 13 55.6 0.05 . 1 . . . . . . . . 5560 1 654 . 1 1 61 61 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5560 1 655 . 1 1 61 61 LYS CB C 13 32.6 0.05 . 1 . . . . . . . . 5560 1 656 . 1 1 61 61 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5560 1 657 . 1 1 61 61 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5560 1 658 . 1 1 61 61 LYS CG C 13 28.8 0.05 . 1 . . . . . . . . 5560 1 659 . 1 1 61 61 LYS HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5560 1 660 . 1 1 61 61 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 5560 1 661 . 1 1 61 61 LYS CD C 13 25.0 0.05 . 1 . . . . . . . . 5560 1 662 . 1 1 61 61 LYS HD2 H 1 1.46 0.02 . 1 . . . . . . . . 5560 1 663 . 1 1 61 61 LYS HD3 H 1 1.46 0.02 . 1 . . . . . . . . 5560 1 664 . 1 1 61 61 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5560 1 665 . 1 1 61 61 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 5560 1 666 . 1 1 61 61 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 5560 1 667 . 1 1 61 61 LYS C C 13 176.4 0.05 . 1 . . . . . . . . 5560 1 668 . 1 1 62 62 GLY N N 15 107.4 0.02 . 1 . . . . . . . . 5560 1 669 . 1 1 62 62 GLY H H 1 8.01 0.02 . 1 . . . . . . . . 5560 1 670 . 1 1 62 62 GLY CA C 13 46.0 0.05 . 1 . . . . . . . . 5560 1 671 . 1 1 62 62 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5560 1 672 . 1 1 62 62 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 5560 1 673 . 1 1 62 62 GLY C C 13 174.4 0.05 . 1 . . . . . . . . 5560 1 674 . 1 1 63 63 VAL N N 15 118.1 0.02 . 1 . . . . . . . . 5560 1 675 . 1 1 63 63 VAL H H 1 7.10 0.02 . 1 . . . . . . . . 5560 1 676 . 1 1 63 63 VAL CA C 13 64.6 0.05 . 1 . . . . . . . . 5560 1 677 . 1 1 63 63 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 5560 1 678 . 1 1 63 63 VAL CB C 13 32.1 0.05 . 1 . . . . . . . . 5560 1 679 . 1 1 63 63 VAL HB H 1 1.57 0.02 . 1 . . . . . . . . 5560 1 680 . 1 1 63 63 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 681 . 1 1 63 63 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 682 . 1 1 63 63 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 683 . 1 1 63 63 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . 5560 1 684 . 1 1 63 63 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . 5560 1 685 . 1 1 63 63 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . 5560 1 686 . 1 1 63 63 VAL CG1 C 13 22.2 0.05 . 1 . . . . . . . . 5560 1 687 . 1 1 63 63 VAL CG2 C 13 24.1 0.05 . 1 . . . . . . . . 5560 1 688 . 1 1 63 63 VAL C C 13 174.6 0.05 . 1 . . . . . . . . 5560 1 689 . 1 1 64 64 GLU N N 15 124.1 0.02 . 1 . . . . . . . . 5560 1 690 . 1 1 64 64 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 5560 1 691 . 1 1 64 64 GLU CA C 13 56.6 0.05 . 1 . . . . . . . . 5560 1 692 . 1 1 64 64 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 5560 1 693 . 1 1 64 64 GLU CB C 13 33.9 0.05 . 1 . . . . . . . . 5560 1 694 . 1 1 64 64 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5560 1 695 . 1 1 64 64 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5560 1 696 . 1 1 64 64 GLU CG C 13 37.2 0.05 . 1 . . . . . . . . 5560 1 697 . 1 1 64 64 GLU HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5560 1 698 . 1 1 64 64 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 5560 1 699 . 1 1 64 64 GLU C C 13 175.1 0.05 . 1 . . . . . . . . 5560 1 700 . 1 1 65 65 TYR N N 15 116.6 0.02 . 1 . . . . . . . . 5560 1 701 . 1 1 65 65 TYR H H 1 7.70 0.02 . 1 . . . . . . . . 5560 1 702 . 1 1 65 65 TYR CA C 13 55.9 0.05 . 1 . . . . . . . . 5560 1 703 . 1 1 65 65 TYR HA H 1 5.61 0.02 . 1 . . . . . . . . 5560 1 704 . 1 1 65 65 TYR CB C 13 43.5 0.05 . 1 . . . . . . . . 5560 1 705 . 1 1 65 65 TYR HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5560 1 706 . 1 1 65 65 TYR HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5560 1 707 . 1 1 65 65 TYR HD1 H 1 7.17 0.02 . 1 . . . . . . . . 5560 1 708 . 1 1 65 65 TYR HD2 H 1 7.17 0.02 . 1 . . . . . . . . 5560 1 709 . 1 1 65 65 TYR HE1 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 710 . 1 1 65 65 TYR HE2 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 711 . 1 1 65 65 TYR C C 13 172.9 0.05 . 1 . . . . . . . . 5560 1 712 . 1 1 66 66 LEU N N 15 124.4 0.02 . 1 . . . . . . . . 5560 1 713 . 1 1 66 66 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 5560 1 714 . 1 1 66 66 LEU CA C 13 52.7 0.05 . 1 . . . . . . . . 5560 1 715 . 1 1 66 66 LEU HA H 1 5.38 0.02 . 1 . . . . . . . . 5560 1 716 . 1 1 66 66 LEU CB C 13 46.8 0.05 . 1 . . . . . . . . 5560 1 717 . 1 1 66 66 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5560 1 718 . 1 1 66 66 LEU HB3 H 1 1.08 0.02 . 2 . . . . . . . . 5560 1 719 . 1 1 66 66 LEU CG C 13 28.0 0.05 . 1 . . . . . . . . 5560 1 720 . 1 1 66 66 LEU HG H 1 1.58 0.02 . 1 . . . . . . . . 5560 1 721 . 1 1 66 66 LEU HD11 H 1 1.09 0.02 . 2 . . . . . . . . 5560 1 722 . 1 1 66 66 LEU HD12 H 1 1.09 0.02 . 2 . . . . . . . . 5560 1 723 . 1 1 66 66 LEU HD13 H 1 1.09 0.02 . 2 . . . . . . . . 5560 1 724 . 1 1 66 66 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 5560 1 725 . 1 1 66 66 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 5560 1 726 . 1 1 66 66 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 5560 1 727 . 1 1 66 66 LEU CD1 C 13 24.4 0.05 . 1 . . . . . . . . 5560 1 728 . 1 1 66 66 LEU CD2 C 13 27.9 0.05 . 1 . . . . . . . . 5560 1 729 . 1 1 66 66 LEU C C 13 174.1 0.05 . 1 . . . . . . . . 5560 1 730 . 1 1 67 67 ILE N N 15 128.0 0.02 . 1 . . . . . . . . 5560 1 731 . 1 1 67 67 ILE H H 1 8.67 0.02 . 1 . . . . . . . . 5560 1 732 . 1 1 67 67 ILE CA C 13 60.1 0.05 . 1 . . . . . . . . 5560 1 733 . 1 1 67 67 ILE HA H 1 4.94 0.02 . 1 . . . . . . . . 5560 1 734 . 1 1 67 67 ILE CB C 13 39.0 0.05 . 1 . . . . . . . . 5560 1 735 . 1 1 67 67 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . 5560 1 736 . 1 1 67 67 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 5560 1 737 . 1 1 67 67 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 5560 1 738 . 1 1 67 67 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 5560 1 739 . 1 1 67 67 ILE CG2 C 13 19.5 0.05 . 1 . . . . . . . . 5560 1 740 . 1 1 67 67 ILE CG1 C 13 26.4 0.05 . 1 . . . . . . . . 5560 1 741 . 1 1 67 67 ILE HG12 H 1 1.23 0.02 . 2 . . . . . . . . 5560 1 742 . 1 1 67 67 ILE HG13 H 1 0.67 0.02 . 2 . . . . . . . . 5560 1 743 . 1 1 67 67 ILE HD11 H 1 0.33 0.02 . 1 . . . . . . . . 5560 1 744 . 1 1 67 67 ILE HD12 H 1 0.33 0.02 . 1 . . . . . . . . 5560 1 745 . 1 1 67 67 ILE HD13 H 1 0.33 0.02 . 1 . . . . . . . . 5560 1 746 . 1 1 67 67 ILE CD1 C 13 14.2 0.05 . 1 . . . . . . . . 5560 1 747 . 1 1 67 67 ILE C C 13 173.3 0.05 . 1 . . . . . . . . 5560 1 748 . 1 1 68 68 ALA N N 15 123.1 0.02 . 1 . . . . . . . . 5560 1 749 . 1 1 68 68 ALA H H 1 8.83 0.02 . 1 . . . . . . . . 5560 1 750 . 1 1 68 68 ALA CA C 13 50.5 0.05 . 1 . . . . . . . . 5560 1 751 . 1 1 68 68 ALA HA H 1 4.84 0.02 . 1 . . . . . . . . 5560 1 752 . 1 1 68 68 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 753 . 1 1 68 68 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 754 . 1 1 68 68 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 755 . 1 1 68 68 ALA CB C 13 22.6 0.05 . 1 . . . . . . . . 5560 1 756 . 1 1 68 68 ALA C C 13 175.7 0.05 . 1 . . . . . . . . 5560 1 757 . 1 1 69 69 SER N N 15 114.1 0.02 . 1 . . . . . . . . 5560 1 758 . 1 1 69 69 SER H H 1 8.73 0.02 . 1 . . . . . . . . 5560 1 759 . 1 1 69 69 SER CA C 13 59.4 0.05 . 1 . . . . . . . . 5560 1 760 . 1 1 69 69 SER HA H 1 4.88 0.02 . 1 . . . . . . . . 5560 1 761 . 1 1 69 69 SER CB C 13 64.4 0.05 . 1 . . . . . . . . 5560 1 762 . 1 1 69 69 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 5560 1 763 . 1 1 69 69 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 5560 1 764 . 1 1 69 69 SER C C 13 174.2 0.05 . 1 . . . . . . . . 5560 1 765 . 1 1 70 70 ASN N N 15 117.1 0.02 . 1 . . . . . . . . 5560 1 766 . 1 1 70 70 ASN H H 1 7.78 0.02 . 1 . . . . . . . . 5560 1 767 . 1 1 70 70 ASN CA C 13 53.1 0.05 . 1 . . . . . . . . 5560 1 768 . 1 1 70 70 ASN HA H 1 4.92 0.02 . 1 . . . . . . . . 5560 1 769 . 1 1 70 70 ASN CB C 13 42.7 0.05 . 1 . . . . . . . . 5560 1 770 . 1 1 70 70 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5560 1 771 . 1 1 70 70 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 5560 1 772 . 1 1 70 70 ASN C C 13 173.0 0.05 . 1 . . . . . . . . 5560 1 773 . 1 1 71 71 VAL N N 15 116.7 0.02 . 1 . . . . . . . . 5560 1 774 . 1 1 71 71 VAL H H 1 7.84 0.02 . 1 . . . . . . . . 5560 1 775 . 1 1 71 71 VAL CA C 13 62.0 0.05 . 1 . . . . . . . . 5560 1 776 . 1 1 71 71 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 5560 1 777 . 1 1 71 71 VAL CB C 13 34.9 0.05 . 1 . . . . . . . . 5560 1 778 . 1 1 71 71 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 5560 1 779 . 1 1 71 71 VAL HG11 H 1 0.71 0.02 . 2 . . . . . . . . 5560 1 780 . 1 1 71 71 VAL HG12 H 1 0.71 0.02 . 2 . . . . . . . . 5560 1 781 . 1 1 71 71 VAL HG13 H 1 0.71 0.02 . 2 . . . . . . . . 5560 1 782 . 1 1 71 71 VAL HG21 H 1 0.58 0.02 . 2 . . . . . . . . 5560 1 783 . 1 1 71 71 VAL HG22 H 1 0.58 0.02 . 2 . . . . . . . . 5560 1 784 . 1 1 71 71 VAL HG23 H 1 0.58 0.02 . 2 . . . . . . . . 5560 1 785 . 1 1 71 71 VAL CG1 C 13 21.7 0.05 . 1 . . . . . . . . 5560 1 786 . 1 1 71 71 VAL CG2 C 13 21.7 0.05 . 1 . . . . . . . . 5560 1 787 . 1 1 71 71 VAL C C 13 174.3 0.05 . 1 . . . . . . . . 5560 1 788 . 1 1 72 72 GLY N N 15 114.0 0.02 . 1 . . . . . . . . 5560 1 789 . 1 1 72 72 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 5560 1 790 . 1 1 72 72 GLY CA C 13 44.7 0.05 . 1 . . . . . . . . 5560 1 791 . 1 1 72 72 GLY HA2 H 1 4.54 0.02 . 2 . . . . . . . . 5560 1 792 . 1 1 72 72 GLY HA3 H 1 3.90 0.02 . 2 . . . . . . . . 5560 1 793 . 1 1 72 72 GLY C C 13 176.2 0.05 . 1 . . . . . . . . 5560 1 794 . 1 1 73 73 ARG N N 15 120.2 0.02 . 1 . . . . . . . . 5560 1 795 . 1 1 73 73 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 5560 1 796 . 1 1 73 73 ARG CA C 13 57.9 0.05 . 1 . . . . . . . . 5560 1 797 . 1 1 73 73 ARG HA H 1 4.30 0.02 . 1 . . . . . . . . 5560 1 798 . 1 1 73 73 ARG CB C 13 29.9 0.05 . 1 . . . . . . . . 5560 1 799 . 1 1 73 73 ARG HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5560 1 800 . 1 1 73 73 ARG HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5560 1 801 . 1 1 73 73 ARG CG C 13 29.4 0.05 . 1 . . . . . . . . 5560 1 802 . 1 1 73 73 ARG HG2 H 1 2.14 0.02 . 1 . . . . . . . . 5560 1 803 . 1 1 73 73 ARG HG3 H 1 2.14 0.02 . 1 . . . . . . . . 5560 1 804 . 1 1 75 75 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 5560 1 805 . 1 1 75 75 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 5560 1 806 . 1 1 75 75 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 5560 1 807 . 1 1 75 75 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 5560 1 808 . 1 1 75 75 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 5560 1 809 . 1 1 75 75 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5560 1 810 . 1 1 75 75 ALA C C 13 178.0 0.05 . 1 . . . . . . . . 5560 1 811 . 1 1 76 76 PHE N N 15 119.3 0.02 . 1 . . . . . . . . 5560 1 812 . 1 1 76 76 PHE H H 1 8.85 0.02 . 1 . . . . . . . . 5560 1 813 . 1 1 76 76 PHE CA C 13 62.8 0.05 . 1 . . . . . . . . 5560 1 814 . 1 1 76 76 PHE HA H 1 3.75 0.02 . 1 . . . . . . . . 5560 1 815 . 1 1 76 76 PHE CB C 13 40.2 0.05 . 1 . . . . . . . . 5560 1 816 . 1 1 76 76 PHE HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5560 1 817 . 1 1 76 76 PHE HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5560 1 818 . 1 1 76 76 PHE HD1 H 1 6.97 0.02 . 1 . . . . . . . . 5560 1 819 . 1 1 76 76 PHE HD2 H 1 6.97 0.02 . 1 . . . . . . . . 5560 1 820 . 1 1 76 76 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 5560 1 821 . 1 1 76 76 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 5560 1 822 . 1 1 76 76 PHE HZ H 1 7.07 0.02 . 1 . . . . . . . . 5560 1 823 . 1 1 76 76 PHE C C 13 176.9 0.05 . 1 . . . . . . . . 5560 1 824 . 1 1 77 77 GLU N N 15 116.8 0.02 . 1 . . . . . . . . 5560 1 825 . 1 1 77 77 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5560 1 826 . 1 1 77 77 GLU CA C 13 59.6 0.05 . 1 . . . . . . . . 5560 1 827 . 1 1 77 77 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 5560 1 828 . 1 1 77 77 GLU CB C 13 29.4 0.05 . 1 . . . . . . . . 5560 1 829 . 1 1 77 77 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5560 1 830 . 1 1 77 77 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5560 1 831 . 1 1 77 77 GLU CG C 13 36.8 0.05 . 1 . . . . . . . . 5560 1 832 . 1 1 77 77 GLU HG2 H 1 2.58 0.02 . 2 . . . . . . . . 5560 1 833 . 1 1 77 77 GLU HG3 H 1 2.39 0.02 . 2 . . . . . . . . 5560 1 834 . 1 1 77 77 GLU C C 13 179.8 0.05 . 1 . . . . . . . . 5560 1 835 . 1 1 78 78 THR N N 15 116.6 0.02 . 1 . . . . . . . . 5560 1 836 . 1 1 78 78 THR H H 1 7.70 0.02 . 1 . . . . . . . . 5560 1 837 . 1 1 78 78 THR CA C 13 66.7 0.05 . 1 . . . . . . . . 5560 1 838 . 1 1 78 78 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 5560 1 839 . 1 1 78 78 THR CB C 13 68.4 0.05 . 1 . . . . . . . . 5560 1 840 . 1 1 78 78 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 5560 1 841 . 1 1 78 78 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 842 . 1 1 78 78 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 843 . 1 1 78 78 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 5560 1 844 . 1 1 78 78 THR CG2 C 13 21.8 0.05 . 1 . . . . . . . . 5560 1 845 . 1 1 78 78 THR C C 13 176.6 0.05 . 1 . . . . . . . . 5560 1 846 . 1 1 79 79 LEU N N 15 124.4 0.02 . 1 . . . . . . . . 5560 1 847 . 1 1 79 79 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 5560 1 848 . 1 1 79 79 LEU CA C 13 58.4 0.05 . 1 . . . . . . . . 5560 1 849 . 1 1 79 79 LEU HA H 1 3.55 0.02 . 1 . . . . . . . . 5560 1 850 . 1 1 79 79 LEU CB C 13 40.9 0.05 . 1 . . . . . . . . 5560 1 851 . 1 1 79 79 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5560 1 852 . 1 1 79 79 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 5560 1 853 . 1 1 79 79 LEU CG C 13 26.0 0.05 . 1 . . . . . . . . 5560 1 854 . 1 1 79 79 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5560 1 855 . 1 1 79 79 LEU HD11 H 1 0.36 0.02 . 2 . . . . . . . . 5560 1 856 . 1 1 79 79 LEU HD12 H 1 0.36 0.02 . 2 . . . . . . . . 5560 1 857 . 1 1 79 79 LEU HD13 H 1 0.36 0.02 . 2 . . . . . . . . 5560 1 858 . 1 1 79 79 LEU HD21 H 1 0.57 0.02 . 2 . . . . . . . . 5560 1 859 . 1 1 79 79 LEU HD22 H 1 0.57 0.02 . 2 . . . . . . . . 5560 1 860 . 1 1 79 79 LEU HD23 H 1 0.57 0.02 . 2 . . . . . . . . 5560 1 861 . 1 1 79 79 LEU CD1 C 13 26.2 0.05 . 1 . . . . . . . . 5560 1 862 . 1 1 79 79 LEU CD2 C 13 24.1 0.05 . 1 . . . . . . . . 5560 1 863 . 1 1 79 79 LEU C C 13 178.0 0.05 . 1 . . . . . . . . 5560 1 864 . 1 1 80 80 LYS N N 15 118.7 0.02 . 1 . . . . . . . . 5560 1 865 . 1 1 80 80 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 5560 1 866 . 1 1 80 80 LYS CA C 13 58.4 0.05 . 1 . . . . . . . . 5560 1 867 . 1 1 80 80 LYS HA H 1 3.86 0.02 . 1 . . . . . . . . 5560 1 868 . 1 1 80 80 LYS CB C 13 30.9 0.05 . 1 . . . . . . . . 5560 1 869 . 1 1 80 80 LYS HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5560 1 870 . 1 1 80 80 LYS HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5560 1 871 . 1 1 80 80 LYS CG C 13 23.5 0.05 . 1 . . . . . . . . 5560 1 872 . 1 1 80 80 LYS HG2 H 1 1.16 0.02 . 2 . . . . . . . . 5560 1 873 . 1 1 80 80 LYS HG3 H 1 1.05 0.02 . 2 . . . . . . . . 5560 1 874 . 1 1 80 80 LYS CD C 13 28.4 0.05 . 1 . . . . . . . . 5560 1 875 . 1 1 80 80 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5560 1 876 . 1 1 80 80 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5560 1 877 . 1 1 80 80 LYS CE C 13 41.6 0.05 . 1 . . . . . . . . 5560 1 878 . 1 1 80 80 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 5560 1 879 . 1 1 80 80 LYS HE3 H 1 2.86 0.02 . 2 . . . . . . . . 5560 1 880 . 1 1 80 80 LYS C C 13 181.0 0.05 . 1 . . . . . . . . 5560 1 881 . 1 1 81 81 ALA N N 15 122.5 0.02 . 1 . . . . . . . . 5560 1 882 . 1 1 81 81 ALA H H 1 7.76 0.02 . 1 . . . . . . . . 5560 1 883 . 1 1 81 81 ALA CA C 13 54.4 0.05 . 1 . . . . . . . . 5560 1 884 . 1 1 81 81 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 5560 1 885 . 1 1 81 81 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5560 1 886 . 1 1 81 81 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5560 1 887 . 1 1 81 81 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5560 1 888 . 1 1 81 81 ALA CB C 13 17.8 0.05 . 1 . . . . . . . . 5560 1 889 . 1 1 81 81 ALA C C 13 178.6 0.05 . 1 . . . . . . . . 5560 1 890 . 1 1 82 82 ALA N N 15 118.2 0.02 . 1 . . . . . . . . 5560 1 891 . 1 1 82 82 ALA H H 1 7.37 0.02 . 1 . . . . . . . . 5560 1 892 . 1 1 82 82 ALA CA C 13 51.8 0.05 . 1 . . . . . . . . 5560 1 893 . 1 1 82 82 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5560 1 894 . 1 1 82 82 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5560 1 895 . 1 1 82 82 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5560 1 896 . 1 1 82 82 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5560 1 897 . 1 1 82 82 ALA CB C 13 19.3 0.05 . 1 . . . . . . . . 5560 1 898 . 1 1 82 82 ALA C C 13 177.3 0.05 . 1 . . . . . . . . 5560 1 899 . 1 1 83 83 GLY N N 15 106.6 0.02 . 1 . . . . . . . . 5560 1 900 . 1 1 83 83 GLY H H 1 7.70 0.02 . 1 . . . . . . . . 5560 1 901 . 1 1 83 83 GLY CA C 13 45.6 0.05 . 1 . . . . . . . . 5560 1 902 . 1 1 83 83 GLY HA2 H 1 4.06 0.02 . 2 . . . . . . . . 5560 1 903 . 1 1 83 83 GLY HA3 H 1 3.66 0.02 . 2 . . . . . . . . 5560 1 904 . 1 1 83 83 GLY C C 13 174.2 0.05 . 1 . . . . . . . . 5560 1 905 . 1 1 84 84 VAL N N 15 122.2 0.02 . 1 . . . . . . . . 5560 1 906 . 1 1 84 84 VAL H H 1 7.67 0.02 . 1 . . . . . . . . 5560 1 907 . 1 1 84 84 VAL CA C 13 61.9 0.05 . 1 . . . . . . . . 5560 1 908 . 1 1 84 84 VAL HA H 1 3.69 0.02 . 1 . . . . . . . . 5560 1 909 . 1 1 84 84 VAL CB C 13 31.9 0.05 . 1 . . . . . . . . 5560 1 910 . 1 1 84 84 VAL HB H 1 1.57 0.02 . 1 . . . . . . . . 5560 1 911 . 1 1 84 84 VAL HG11 H 1 0.46 0.02 . 2 . . . . . . . . 5560 1 912 . 1 1 84 84 VAL HG12 H 1 0.46 0.02 . 2 . . . . . . . . 5560 1 913 . 1 1 84 84 VAL HG13 H 1 0.46 0.02 . 2 . . . . . . . . 5560 1 914 . 1 1 84 84 VAL HG21 H 1 0.63 0.02 . 2 . . . . . . . . 5560 1 915 . 1 1 84 84 VAL HG22 H 1 0.63 0.02 . 2 . . . . . . . . 5560 1 916 . 1 1 84 84 VAL HG23 H 1 0.63 0.02 . 2 . . . . . . . . 5560 1 917 . 1 1 84 84 VAL CG1 C 13 21.5 0.05 . 1 . . . . . . . . 5560 1 918 . 1 1 84 84 VAL CG2 C 13 21.3 0.05 . 1 . . . . . . . . 5560 1 919 . 1 1 84 84 VAL C C 13 175.1 0.05 . 1 . . . . . . . . 5560 1 920 . 1 1 85 85 LYS N N 15 127.5 0.02 . 1 . . . . . . . . 5560 1 921 . 1 1 85 85 LYS H H 1 7.39 0.02 . 1 . . . . . . . . 5560 1 922 . 1 1 85 85 LYS CA C 13 56.2 0.05 . 1 . . . . . . . . 5560 1 923 . 1 1 85 85 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5560 1 924 . 1 1 85 85 LYS CB C 13 34.2 0.05 . 1 . . . . . . . . 5560 1 925 . 1 1 85 85 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5560 1 926 . 1 1 85 85 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5560 1 927 . 1 1 85 85 LYS CG C 13 25.6 0.05 . 1 . . . . . . . . 5560 1 928 . 1 1 85 85 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 5560 1 929 . 1 1 85 85 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 5560 1 930 . 1 1 85 85 LYS CD C 13 29.2 0.05 . 1 . . . . . . . . 5560 1 931 . 1 1 85 85 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 5560 1 932 . 1 1 85 85 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 5560 1 933 . 1 1 85 85 LYS CE C 13 42.2 0.05 . 1 . . . . . . . . 5560 1 934 . 1 1 85 85 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5560 1 935 . 1 1 85 85 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5560 1 936 . 1 1 85 85 LYS C C 13 174.8 0.05 . 1 . . . . . . . . 5560 1 937 . 1 1 86 86 VAL N N 15 123.8 0.02 . 1 . . . . . . . . 5560 1 938 . 1 1 86 86 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5560 1 939 . 1 1 86 86 VAL CA C 13 60.5 0.05 . 1 . . . . . . . . 5560 1 940 . 1 1 86 86 VAL HA H 1 5.20 0.02 . 1 . . . . . . . . 5560 1 941 . 1 1 86 86 VAL CB C 13 33.2 0.05 . 1 . . . . . . . . 5560 1 942 . 1 1 86 86 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5560 1 943 . 1 1 86 86 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5560 1 944 . 1 1 86 86 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5560 1 945 . 1 1 86 86 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5560 1 946 . 1 1 86 86 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5560 1 947 . 1 1 86 86 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5560 1 948 . 1 1 86 86 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5560 1 949 . 1 1 86 86 VAL CG1 C 13 22.8 0.05 . 1 . . . . . . . . 5560 1 950 . 1 1 86 86 VAL CG2 C 13 22.2 0.05 . 1 . . . . . . . . 5560 1 951 . 1 1 86 86 VAL C C 13 174.5 0.05 . 1 . . . . . . . . 5560 1 952 . 1 1 87 87 TYR N N 15 127.2 0.02 . 1 . . . . . . . . 5560 1 953 . 1 1 87 87 TYR H H 1 9.51 0.02 . 1 . . . . . . . . 5560 1 954 . 1 1 87 87 TYR CA C 13 57.4 0.05 . 1 . . . . . . . . 5560 1 955 . 1 1 87 87 TYR HA H 1 4.94 0.02 . 1 . . . . . . . . 5560 1 956 . 1 1 87 87 TYR CB C 13 42.1 0.05 . 1 . . . . . . . . 5560 1 957 . 1 1 87 87 TYR HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5560 1 958 . 1 1 87 87 TYR HB3 H 1 2.70 0.02 . 2 . . . . . . . . 5560 1 959 . 1 1 87 87 TYR HD1 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 960 . 1 1 87 87 TYR HD2 H 1 6.96 0.02 . 1 . . . . . . . . 5560 1 961 . 1 1 87 87 TYR HE1 H 1 6.88 0.02 . 1 . . . . . . . . 5560 1 962 . 1 1 87 87 TYR HE2 H 1 6.88 0.02 . 1 . . . . . . . . 5560 1 963 . 1 1 87 87 TYR C C 13 173.9 0.05 . 1 . . . . . . . . 5560 1 964 . 1 1 88 88 ARG N N 15 121.6 0.02 . 1 . . . . . . . . 5560 1 965 . 1 1 88 88 ARG H H 1 8.67 0.02 . 1 . . . . . . . . 5560 1 966 . 1 1 88 88 ARG CA C 13 55.2 0.05 . 1 . . . . . . . . 5560 1 967 . 1 1 88 88 ARG HA H 1 5.19 0.02 . 1 . . . . . . . . 5560 1 968 . 1 1 88 88 ARG CB C 13 32.2 0.05 . 1 . . . . . . . . 5560 1 969 . 1 1 88 88 ARG HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5560 1 970 . 1 1 88 88 ARG HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5560 1 971 . 1 1 88 88 ARG CG C 13 28.0 0.05 . 1 . . . . . . . . 5560 1 972 . 1 1 88 88 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 5560 1 973 . 1 1 88 88 ARG HG3 H 1 1.69 0.02 . 2 . . . . . . . . 5560 1 974 . 1 1 88 88 ARG CD C 13 43.6 0.05 . 1 . . . . . . . . 5560 1 975 . 1 1 88 88 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5560 1 976 . 1 1 88 88 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5560 1 977 . 1 1 88 88 ARG C C 13 175.4 0.05 . 1 . . . . . . . . 5560 1 978 . 1 1 89 89 PHE N N 15 125.7 0.02 . 1 . . . . . . . . 5560 1 979 . 1 1 89 89 PHE H H 1 8.08 0.02 . 1 . . . . . . . . 5560 1 980 . 1 1 89 89 PHE CA C 13 56.6 0.05 . 1 . . . . . . . . 5560 1 981 . 1 1 89 89 PHE HA H 1 4.89 0.02 . 1 . . . . . . . . 5560 1 982 . 1 1 89 89 PHE CB C 13 43.8 0.05 . 1 . . . . . . . . 5560 1 983 . 1 1 89 89 PHE HB2 H 1 3.04 0.02 . 2 . . . . . . . . 5560 1 984 . 1 1 89 89 PHE HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5560 1 985 . 1 1 89 89 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5560 1 986 . 1 1 89 89 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5560 1 987 . 1 1 89 89 PHE HE1 H 1 7.39 0.02 . 1 . . . . . . . . 5560 1 988 . 1 1 89 89 PHE HE2 H 1 7.39 0.02 . 1 . . . . . . . . 5560 1 989 . 1 1 89 89 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 5560 1 990 . 1 1 89 89 PHE C C 13 174.2 0.05 . 1 . . . . . . . . 5560 1 991 . 1 1 90 90 GLU N N 15 125.2 0.02 . 1 . . . . . . . . 5560 1 992 . 1 1 90 90 GLU H H 1 8.21 0.02 . 1 . . . . . . . . 5560 1 993 . 1 1 90 90 GLU CA C 13 56.7 0.05 . 1 . . . . . . . . 5560 1 994 . 1 1 90 90 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5560 1 995 . 1 1 90 90 GLU CB C 13 31.2 0.05 . 1 . . . . . . . . 5560 1 996 . 1 1 90 90 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5560 1 997 . 1 1 90 90 GLU HB3 H 1 1.78 0.02 . 2 . . . . . . . . 5560 1 998 . 1 1 90 90 GLU CG C 13 36.0 0.05 . 1 . . . . . . . . 5560 1 999 . 1 1 90 90 GLU HG2 H 1 2.08 0.02 . 1 . . . . . . . . 5560 1 1000 . 1 1 90 90 GLU HG3 H 1 2.08 0.02 . 1 . . . . . . . . 5560 1 1001 . 1 1 90 90 GLU C C 13 175.7 0.05 . 1 . . . . . . . . 5560 1 1002 . 1 1 91 91 GLY N N 15 105.1 0.02 . 1 . . . . . . . . 5560 1 1003 . 1 1 91 91 GLY H H 1 6.40 0.02 . 1 . . . . . . . . 5560 1 1004 . 1 1 91 91 GLY CA C 13 45.7 0.05 . 1 . . . . . . . . 5560 1 1005 . 1 1 91 91 GLY HA2 H 1 4.04 0.02 . 2 . . . . . . . . 5560 1 1006 . 1 1 91 91 GLY HA3 H 1 3.54 0.02 . 2 . . . . . . . . 5560 1 1007 . 1 1 91 91 GLY C C 13 172.5 0.05 . 1 . . . . . . . . 5560 1 1008 . 1 1 92 92 GLY N N 15 108.1 0.02 . 1 . . . . . . . . 5560 1 1009 . 1 1 92 92 GLY H H 1 7.72 0.02 . 1 . . . . . . . . 5560 1 1010 . 1 1 92 92 GLY CA C 13 44.5 0.05 . 1 . . . . . . . . 5560 1 1011 . 1 1 92 92 GLY HA2 H 1 4.49 0.02 . 2 . . . . . . . . 5560 1 1012 . 1 1 92 92 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 5560 1 1013 . 1 1 92 92 GLY C C 13 172.4 0.05 . 1 . . . . . . . . 5560 1 1014 . 1 1 93 93 THR N N 15 111.5 0.02 . 1 . . . . . . . . 5560 1 1015 . 1 1 93 93 THR H H 1 8.88 0.02 . 1 . . . . . . . . 5560 1 1016 . 1 1 93 93 THR CA C 13 61.0 0.05 . 1 . . . . . . . . 5560 1 1017 . 1 1 93 93 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 5560 1 1018 . 1 1 93 93 THR CB C 13 71.9 0.05 . 1 . . . . . . . . 5560 1 1019 . 1 1 93 93 THR HB H 1 4.53 0.02 . 1 . . . . . . . . 5560 1 1020 . 1 1 93 93 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5560 1 1021 . 1 1 93 93 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5560 1 1022 . 1 1 93 93 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5560 1 1023 . 1 1 93 93 THR CG2 C 13 22.4 0.05 . 1 . . . . . . . . 5560 1 1024 . 1 1 93 93 THR C C 13 175.6 0.05 . 1 . . . . . . . . 5560 1 1025 . 1 1 94 94 VAL N N 15 121.3 0.02 . 1 . . . . . . . . 5560 1 1026 . 1 1 94 94 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 5560 1 1027 . 1 1 94 94 VAL CA C 13 67.1 0.05 . 1 . . . . . . . . 5560 1 1028 . 1 1 94 94 VAL HA H 1 3.25 0.02 . 1 . . . . . . . . 5560 1 1029 . 1 1 94 94 VAL CB C 13 31.0 0.05 . 1 . . . . . . . . 5560 1 1030 . 1 1 94 94 VAL HB H 1 2.23 0.02 . 1 . . . . . . . . 5560 1 1031 . 1 1 94 94 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 5560 1 1032 . 1 1 94 94 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 5560 1 1033 . 1 1 94 94 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 5560 1 1034 . 1 1 94 94 VAL HG21 H 1 0.94 0.02 . 2 . . . . . . . . 5560 1 1035 . 1 1 94 94 VAL HG22 H 1 0.94 0.02 . 2 . . . . . . . . 5560 1 1036 . 1 1 94 94 VAL HG23 H 1 0.94 0.02 . 2 . . . . . . . . 5560 1 1037 . 1 1 94 94 VAL CG1 C 13 22.1 0.05 . 1 . . . . . . . . 5560 1 1038 . 1 1 94 94 VAL CG2 C 13 22.0 0.05 . 1 . . . . . . . . 5560 1 1039 . 1 1 94 94 VAL C C 13 178.0 0.05 . 1 . . . . . . . . 5560 1 1040 . 1 1 95 95 GLN N N 15 117.7 0.02 . 1 . . . . . . . . 5560 1 1041 . 1 1 95 95 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 5560 1 1042 . 1 1 95 95 GLN CA C 13 58.4 0.05 . 1 . . . . . . . . 5560 1 1043 . 1 1 95 95 GLN HA H 1 3.60 0.02 . 1 . . . . . . . . 5560 1 1044 . 1 1 95 95 GLN CB C 13 28.8 0.05 . 1 . . . . . . . . 5560 1 1045 . 1 1 95 95 GLN HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5560 1 1046 . 1 1 95 95 GLN HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5560 1 1047 . 1 1 95 95 GLN CG C 13 33.2 0.05 . 1 . . . . . . . . 5560 1 1048 . 1 1 95 95 GLN HG2 H 1 2.13 0.02 . 1 . . . . . . . . 5560 1 1049 . 1 1 95 95 GLN HG3 H 1 2.13 0.02 . 1 . . . . . . . . 5560 1 1050 . 1 1 95 95 GLN C C 13 177.3 0.05 . 1 . . . . . . . . 5560 1 1051 . 1 1 96 96 GLU N N 15 118.6 0.02 . 1 . . . . . . . . 5560 1 1052 . 1 1 96 96 GLU H H 1 7.71 0.02 . 1 . . . . . . . . 5560 1 1053 . 1 1 96 96 GLU CA C 13 59.4 0.05 . 1 . . . . . . . . 5560 1 1054 . 1 1 96 96 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 5560 1 1055 . 1 1 96 96 GLU CB C 13 29.6 0.05 . 1 . . . . . . . . 5560 1 1056 . 1 1 96 96 GLU HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5560 1 1057 . 1 1 96 96 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5560 1 1058 . 1 1 96 96 GLU CG C 13 37.9 0.05 . 1 . . . . . . . . 5560 1 1059 . 1 1 96 96 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 5560 1 1060 . 1 1 96 96 GLU HG3 H 1 2.34 0.02 . 2 . . . . . . . . 5560 1 1061 . 1 1 96 96 GLU C C 13 179.4 0.05 . 1 . . . . . . . . 5560 1 1062 . 1 1 97 97 ALA N N 15 124.6 0.02 . 1 . . . . . . . . 5560 1 1063 . 1 1 97 97 ALA H H 1 7.85 0.02 . 1 . . . . . . . . 5560 1 1064 . 1 1 97 97 ALA CA C 13 55.3 0.05 . 1 . . . . . . . . 5560 1 1065 . 1 1 97 97 ALA HA H 1 2.91 0.02 . 1 . . . . . . . . 5560 1 1066 . 1 1 97 97 ALA HB1 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 1067 . 1 1 97 97 ALA HB2 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 1068 . 1 1 97 97 ALA HB3 H 1 0.68 0.02 . 1 . . . . . . . . 5560 1 1069 . 1 1 97 97 ALA CB C 13 17.2 0.05 . 1 . . . . . . . . 5560 1 1070 . 1 1 97 97 ALA C C 13 178.7 0.05 . 1 . . . . . . . . 5560 1 1071 . 1 1 98 98 ILE N N 15 118.7 0.02 . 1 . . . . . . . . 5560 1 1072 . 1 1 98 98 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 5560 1 1073 . 1 1 98 98 ILE CA C 13 65.6 0.05 . 1 . . . . . . . . 5560 1 1074 . 1 1 98 98 ILE HA H 1 3.12 0.02 . 1 . . . . . . . . 5560 1 1075 . 1 1 98 98 ILE CB C 13 37.9 0.05 . 1 . . . . . . . . 5560 1 1076 . 1 1 98 98 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . 5560 1 1077 . 1 1 98 98 ILE HG21 H 1 0.28 0.02 . 1 . . . . . . . . 5560 1 1078 . 1 1 98 98 ILE HG22 H 1 0.28 0.02 . 1 . . . . . . . . 5560 1 1079 . 1 1 98 98 ILE HG23 H 1 0.28 0.02 . 1 . . . . . . . . 5560 1 1080 . 1 1 98 98 ILE CG2 C 13 16.9 0.05 . 1 . . . . . . . . 5560 1 1081 . 1 1 98 98 ILE CG1 C 13 29.4 0.05 . 1 . . . . . . . . 5560 1 1082 . 1 1 98 98 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 5560 1 1083 . 1 1 98 98 ILE HG13 H 1 0.15 0.02 . 2 . . . . . . . . 5560 1 1084 . 1 1 98 98 ILE HD11 H 1 0.06 0.02 . 1 . . . . . . . . 5560 1 1085 . 1 1 98 98 ILE HD12 H 1 0.06 0.02 . 1 . . . . . . . . 5560 1 1086 . 1 1 98 98 ILE HD13 H 1 0.06 0.02 . 1 . . . . . . . . 5560 1 1087 . 1 1 98 98 ILE CD1 C 13 13.7 0.05 . 1 . . . . . . . . 5560 1 1088 . 1 1 98 98 ILE C C 13 178.9 0.05 . 1 . . . . . . . . 5560 1 1089 . 1 1 99 99 ASP N N 15 123.0 0.02 . 1 . . . . . . . . 5560 1 1090 . 1 1 99 99 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 5560 1 1091 . 1 1 99 99 ASP CA C 13 57.7 0.05 . 1 . . . . . . . . 5560 1 1092 . 1 1 99 99 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 5560 1 1093 . 1 1 99 99 ASP CB C 13 39.7 0.05 . 1 . . . . . . . . 5560 1 1094 . 1 1 99 99 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5560 1 1095 . 1 1 99 99 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5560 1 1096 . 1 1 99 99 ASP C C 13 178.2 0.05 . 1 . . . . . . . . 5560 1 1097 . 1 1 100 100 ALA N N 15 121.7 0.02 . 1 . . . . . . . . 5560 1 1098 . 1 1 100 100 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 5560 1 1099 . 1 1 100 100 ALA CA C 13 55.5 0.05 . 1 . . . . . . . . 5560 1 1100 . 1 1 100 100 ALA HA H 1 3.92 0.02 . 1 . . . . . . . . 5560 1 1101 . 1 1 100 100 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 1102 . 1 1 100 100 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 1103 . 1 1 100 100 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5560 1 1104 . 1 1 100 100 ALA CB C 13 18.5 0.05 . 1 . . . . . . . . 5560 1 1105 . 1 1 100 100 ALA C C 13 179.9 0.05 . 1 . . . . . . . . 5560 1 1106 . 1 1 101 101 PHE N N 15 119.4 0.02 . 1 . . . . . . . . 5560 1 1107 . 1 1 101 101 PHE H H 1 8.45 0.02 . 1 . . . . . . . . 5560 1 1108 . 1 1 101 101 PHE CA C 13 60.8 0.05 . 1 . . . . . . . . 5560 1 1109 . 1 1 101 101 PHE HA H 1 3.89 0.02 . 1 . . . . . . . . 5560 1 1110 . 1 1 101 101 PHE CB C 13 39.4 0.05 . 1 . . . . . . . . 5560 1 1111 . 1 1 101 101 PHE HB2 H 1 3.09 0.02 . 2 . . . . . . . . 5560 1 1112 . 1 1 101 101 PHE HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5560 1 1113 . 1 1 101 101 PHE HD1 H 1 6.64 0.02 . 1 . . . . . . . . 5560 1 1114 . 1 1 101 101 PHE HD2 H 1 6.64 0.02 . 1 . . . . . . . . 5560 1 1115 . 1 1 101 101 PHE HE1 H 1 6.53 0.02 . 1 . . . . . . . . 5560 1 1116 . 1 1 101 101 PHE HE2 H 1 6.53 0.02 . 1 . . . . . . . . 5560 1 1117 . 1 1 101 101 PHE HZ H 1 5.95 0.02 . 1 . . . . . . . . 5560 1 1118 . 1 1 101 101 PHE C C 13 179.6 0.05 . 1 . . . . . . . . 5560 1 1119 . 1 1 102 102 SER N N 15 118.0 0.02 . 1 . . . . . . . . 5560 1 1120 . 1 1 102 102 SER H H 1 8.82 0.02 . 1 . . . . . . . . 5560 1 1121 . 1 1 102 102 SER CA C 13 61.7 0.05 . 1 . . . . . . . . 5560 1 1122 . 1 1 102 102 SER HA H 1 4.12 0.02 . 1 . . . . . . . . 5560 1 1123 . 1 1 102 102 SER CB C 13 62.9 0.05 . 1 . . . . . . . . 5560 1 1124 . 1 1 102 102 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 5560 1 1125 . 1 1 102 102 SER HB3 H 1 3.89 0.02 . 2 . . . . . . . . 5560 1 1126 . 1 1 102 102 SER C C 13 175.3 0.05 . 1 . . . . . . . . 5560 1 1127 . 1 1 103 103 GLU N N 15 118.1 0.02 . 1 . . . . . . . . 5560 1 1128 . 1 1 103 103 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 5560 1 1129 . 1 1 103 103 GLU CA C 13 56.0 0.05 . 1 . . . . . . . . 5560 1 1130 . 1 1 103 103 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5560 1 1131 . 1 1 103 103 GLU CB C 13 30.4 0.05 . 1 . . . . . . . . 5560 1 1132 . 1 1 103 103 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5560 1 1133 . 1 1 103 103 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5560 1 1134 . 1 1 103 103 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5560 1 1135 . 1 1 103 103 GLU HG2 H 1 2.46 0.02 . 2 . . . . . . . . 5560 1 1136 . 1 1 103 103 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 5560 1 1137 . 1 1 104 104 GLY N N 15 108.5 0.02 . 1 . . . . . . . . 5560 1 1138 . 1 1 104 104 GLY H H 1 7.61 0.02 . 1 . . . . . . . . 5560 1 1139 . 1 1 104 104 GLY CA C 13 46.6 0.05 . 1 . . . . . . . . 5560 1 1140 . 1 1 104 104 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . 5560 1 1141 . 1 1 104 104 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 5560 1 1142 . 1 1 104 104 GLY C C 13 176.0 0.05 . 1 . . . . . . . . 5560 1 1143 . 1 1 105 105 ARG N N 15 115.4 0.02 . 1 . . . . . . . . 5560 1 1144 . 1 1 105 105 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 5560 1 1145 . 1 1 105 105 ARG CA C 13 56.1 0.05 . 1 . . . . . . . . 5560 1 1146 . 1 1 105 105 ARG HA H 1 4.42 0.02 . 1 . . . . . . . . 5560 1 1147 . 1 1 105 105 ARG CB C 13 31.4 0.05 . 1 . . . . . . . . 5560 1 1148 . 1 1 105 105 ARG HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5560 1 1149 . 1 1 105 105 ARG HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5560 1 1150 . 1 1 105 105 ARG CG C 13 28.1 0.05 . 1 . . . . . . . . 5560 1 1151 . 1 1 105 105 ARG HG2 H 1 1.60 0.02 . 2 . . . . . . . . 5560 1 1152 . 1 1 105 105 ARG HG3 H 1 1.55 0.02 . 2 . . . . . . . . 5560 1 1153 . 1 1 105 105 ARG CD C 13 43.4 0.05 . 1 . . . . . . . . 5560 1 1154 . 1 1 105 105 ARG HD2 H 1 3.28 0.02 . 2 . . . . . . . . 5560 1 1155 . 1 1 105 105 ARG HD3 H 1 3.24 0.02 . 2 . . . . . . . . 5560 1 1156 . 1 1 105 105 ARG HE H 1 7.07 0.02 . 1 . . . . . . . . 5560 1 1157 . 1 1 105 105 ARG C C 13 176.2 0.05 . 1 . . . . . . . . 5560 1 1158 . 1 1 106 106 LEU N N 15 117.7 0.02 . 1 . . . . . . . . 5560 1 1159 . 1 1 106 106 LEU H H 1 7.75 0.02 . 1 . . . . . . . . 5560 1 1160 . 1 1 106 106 LEU CA C 13 53.7 0.05 . 1 . . . . . . . . 5560 1 1161 . 1 1 106 106 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . 5560 1 1162 . 1 1 106 106 LEU CB C 13 42.8 0.05 . 1 . . . . . . . . 5560 1 1163 . 1 1 106 106 LEU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5560 1 1164 . 1 1 106 106 LEU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5560 1 1165 . 1 1 106 106 LEU CG C 13 26.9 0.05 . 1 . . . . . . . . 5560 1 1166 . 1 1 106 106 LEU HG H 1 1.37 0.02 . 1 . . . . . . . . 5560 1 1167 . 1 1 106 106 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 5560 1 1168 . 1 1 106 106 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 5560 1 1169 . 1 1 106 106 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 5560 1 1170 . 1 1 106 106 LEU HD21 H 1 1.24 0.02 . 2 . . . . . . . . 5560 1 1171 . 1 1 106 106 LEU HD22 H 1 1.24 0.02 . 2 . . . . . . . . 5560 1 1172 . 1 1 106 106 LEU HD23 H 1 1.24 0.02 . 2 . . . . . . . . 5560 1 1173 . 1 1 106 106 LEU CD1 C 13 27.0 0.05 . 1 . . . . . . . . 5560 1 1174 . 1 1 106 106 LEU CD2 C 13 22.8 0.05 . 1 . . . . . . . . 5560 1 1175 . 1 1 106 106 LEU C C 13 176.6 0.05 . 1 . . . . . . . . 5560 1 1176 . 1 1 107 107 GLU N N 15 122.7 0.02 . 1 . . . . . . . . 5560 1 1177 . 1 1 107 107 GLU H H 1 9.15 0.02 . 1 . . . . . . . . 5560 1 1178 . 1 1 107 107 GLU CA C 13 54.8 0.05 . 1 . . . . . . . . 5560 1 1179 . 1 1 107 107 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . 5560 1 1180 . 1 1 107 107 GLU CB C 13 31.8 0.05 . 1 . . . . . . . . 5560 1 1181 . 1 1 107 107 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5560 1 1182 . 1 1 107 107 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5560 1 1183 . 1 1 107 107 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5560 1 1184 . 1 1 107 107 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 5560 1 1185 . 1 1 107 107 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 5560 1 1186 . 1 1 107 107 GLU C C 13 175.9 0.05 . 1 . . . . . . . . 5560 1 1187 . 1 1 108 108 GLU N N 15 123.8 0.02 . 1 . . . . . . . . 5560 1 1188 . 1 1 108 108 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 5560 1 1189 . 1 1 108 108 GLU CA C 13 56.7 0.05 . 1 . . . . . . . . 5560 1 1190 . 1 1 108 108 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 5560 1 1191 . 1 1 108 108 GLU CB C 13 30.2 0.05 . 1 . . . . . . . . 5560 1 1192 . 1 1 108 108 GLU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5560 1 1193 . 1 1 108 108 GLU HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5560 1 1194 . 1 1 108 108 GLU CG C 13 36.6 0.05 . 1 . . . . . . . . 5560 1 1195 . 1 1 108 108 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 5560 1 1196 . 1 1 108 108 GLU HG3 H 1 1.84 0.02 . 2 . . . . . . . . 5560 1 1197 . 1 1 108 108 GLU C C 13 176.5 0.05 . 1 . . . . . . . . 5560 1 1198 . 1 1 109 109 LEU N N 15 128.4 0.02 . 1 . . . . . . . . 5560 1 1199 . 1 1 109 109 LEU H H 1 8.96 0.02 . 1 . . . . . . . . 5560 1 1200 . 1 1 109 109 LEU CA C 13 54.6 0.05 . 1 . . . . . . . . 5560 1 1201 . 1 1 109 109 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 5560 1 1202 . 1 1 109 109 LEU CB C 13 42.7 0.05 . 1 . . . . . . . . 5560 1 1203 . 1 1 109 109 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5560 1 1204 . 1 1 109 109 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 5560 1 1205 . 1 1 109 109 LEU CG C 13 27.1 0.05 . 1 . . . . . . . . 5560 1 1206 . 1 1 109 109 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5560 1 1207 . 1 1 109 109 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 1208 . 1 1 109 109 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 1209 . 1 1 109 109 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5560 1 1210 . 1 1 109 109 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 5560 1 1211 . 1 1 109 109 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 5560 1 1212 . 1 1 109 109 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 5560 1 1213 . 1 1 109 109 LEU CD1 C 13 25.0 0.05 . 1 . . . . . . . . 5560 1 1214 . 1 1 109 109 LEU CD2 C 13 25.6 0.05 . 1 . . . . . . . . 5560 1 1215 . 1 1 109 109 LEU C C 13 176.4 0.05 . 1 . . . . . . . . 5560 1 1216 . 1 1 110 110 THR N N 15 115.1 0.02 . 1 . . . . . . . . 5560 1 1217 . 1 1 110 110 THR H H 1 8.43 0.02 . 1 . . . . . . . . 5560 1 1218 . 1 1 110 110 THR CA C 13 62.0 0.05 . 1 . . . . . . . . 5560 1 1219 . 1 1 110 110 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 5560 1 1220 . 1 1 110 110 THR CB C 13 69.5 0.05 . 1 . . . . . . . . 5560 1 1221 . 1 1 110 110 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 5560 1 1222 . 1 1 110 110 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5560 1 1223 . 1 1 110 110 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5560 1 1224 . 1 1 110 110 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5560 1 1225 . 1 1 110 110 THR CG2 C 13 21.7 0.05 . 1 . . . . . . . . 5560 1 1226 . 1 1 110 110 THR C C 13 174.0 0.05 . 1 . . . . . . . . 5560 1 1227 . 1 1 111 111 THR N N 15 114.7 0.02 . 1 . . . . . . . . 5560 1 1228 . 1 1 111 111 THR H H 1 7.16 0.02 . 1 . . . . . . . . 5560 1 1229 . 1 1 111 111 THR CA C 13 59.3 0.05 . 1 . . . . . . . . 5560 1 1230 . 1 1 111 111 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 5560 1 1231 . 1 1 111 111 THR CB C 13 69.5 0.05 . 1 . . . . . . . . 5560 1 1232 . 1 1 111 111 THR HB H 1 3.73 0.02 . 1 . . . . . . . . 5560 1 1233 . 1 1 111 111 THR HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5560 1 1234 . 1 1 111 111 THR HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5560 1 1235 . 1 1 111 111 THR HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5560 1 1236 . 1 1 111 111 THR CG2 C 13 19.0 0.05 . 1 . . . . . . . . 5560 1 1237 . 1 1 111 111 THR C C 13 170.9 0.05 . 1 . . . . . . . . 5560 1 1238 . 1 1 112 112 PHE N N 15 116.9 0.02 . 1 . . . . . . . . 5560 1 1239 . 1 1 112 112 PHE H H 1 6.69 0.02 . 1 . . . . . . . . 5560 1 1240 . 1 1 112 112 PHE CA C 13 55.5 0.05 . 1 . . . . . . . . 5560 1 1241 . 1 1 112 112 PHE HA H 1 4.26 0.02 . 1 . . . . . . . . 5560 1 1242 . 1 1 112 112 PHE CB C 13 39.4 0.05 . 1 . . . . . . . . 5560 1 1243 . 1 1 112 112 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 5560 1 1244 . 1 1 112 112 PHE HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5560 1 1245 . 1 1 112 112 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . 5560 1 1246 . 1 1 112 112 PHE HD2 H 1 7.01 0.02 . 1 . . . . . . . . 5560 1 1247 . 1 1 112 112 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 5560 1 1248 . 1 1 112 112 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 5560 1 1249 . 1 1 112 112 PHE C C 13 174.9 0.05 . 1 . . . . . . . . 5560 1 1250 . 1 1 113 113 THR N N 15 111.1 0.02 . 1 . . . . . . . . 5560 1 1251 . 1 1 113 113 THR H H 1 8.57 0.02 . 1 . . . . . . . . 5560 1 1252 . 1 1 113 113 THR CA C 13 60.6 0.05 . 1 . . . . . . . . 5560 1 1253 . 1 1 113 113 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 5560 1 1254 . 1 1 113 113 THR CB C 13 69.6 0.05 . 1 . . . . . . . . 5560 1 1255 . 1 1 113 113 THR HB H 1 4.40 0.02 . 1 . . . . . . . . 5560 1 1256 . 1 1 113 113 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5560 1 1257 . 1 1 113 113 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5560 1 1258 . 1 1 113 113 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5560 1 1259 . 1 1 113 113 THR CG2 C 13 22.3 0.05 . 1 . . . . . . . . 5560 1 1260 . 1 1 113 113 THR C C 13 174.3 0.05 . 1 . . . . . . . . 5560 1 1261 . 1 1 114 114 ARG N N 15 121.2 0.02 . 1 . . . . . . . . 5560 1 1262 . 1 1 114 114 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 5560 1 1263 . 1 1 114 114 ARG CA C 13 56.0 0.05 . 1 . . . . . . . . 5560 1 1264 . 1 1 114 114 ARG HA H 1 4.53 0.02 . 1 . . . . . . . . 5560 1 1265 . 1 1 114 114 ARG CB C 13 31.5 0.05 . 1 . . . . . . . . 5560 1 1266 . 1 1 114 114 ARG HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5560 1 1267 . 1 1 114 114 ARG HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5560 1 1268 . 1 1 114 114 ARG CG C 13 26.3 0.05 . 1 . . . . . . . . 5560 1 1269 . 1 1 114 114 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5560 1 1270 . 1 1 114 114 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5560 1 1271 . 1 1 114 114 ARG CD C 13 43.4 0.05 . 1 . . . . . . . . 5560 1 1272 . 1 1 114 114 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 5560 1 1273 . 1 1 114 114 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 5560 1 1274 . 1 1 114 114 ARG C C 13 175.2 0.05 . 1 . . . . . . . . 5560 1 1275 . 1 1 115 115 GLU N N 15 121.0 0.02 . 1 . . . . . . . . 5560 1 1276 . 1 1 115 115 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5560 1 1277 . 1 1 115 115 GLU CA C 13 56.3 0.05 . 1 . . . . . . . . 5560 1 1278 . 1 1 115 115 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 5560 1 1279 . 1 1 115 115 GLU CB C 13 30.6 0.05 . 1 . . . . . . . . 5560 1 1280 . 1 1 115 115 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5560 1 1281 . 1 1 115 115 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5560 1 1282 . 1 1 115 115 GLU CG C 13 36.3 0.05 . 1 . . . . . . . . 5560 1 1283 . 1 1 115 115 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5560 1 1284 . 1 1 115 115 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5560 1 1285 . 1 1 115 115 GLU C C 13 175.8 0.05 . 1 . . . . . . . . 5560 1 1286 . 1 1 116 116 GLY N N 15 116.6 0.02 . 1 . . . . . . . . 5560 1 1287 . 1 1 116 116 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 5560 1 1288 . 1 1 116 116 GLY CA C 13 46.3 0.05 . 1 . . . . . . . . 5560 1 1289 . 1 1 116 116 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5560 1 1290 . 1 1 116 116 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 5560 1 stop_ save_