data_5921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5921 _Entry.Title ; NMR assignment of TM1442, a putative anti-sigma-factor antagonist from Thrmotoga maritima ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-08-26 _Entry.Accession_date 2003-08-28 _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 . . . 5921 2 Kurt Wuthrich . . . 5921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 765 5921 '13C chemical shifts' 487 5921 '15N chemical shifts' 121 5921 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 . . 2004-07-08 . update BMRB 'Addition of Relationship Loop' 5921 2 . . 2004-03-18 . update BMRB 'Updated Citation' 5921 3 . . 2004-02-11 . original author 'Original Release' 5921 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6232 'the same protein but phosphorylated' 5921 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017147 _Citation.Full_citation . _Citation.Title ; Letter to the ditor: NMR assignment of TM1442, a putative anti-sigma factor antagonist from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _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 99 _Citation.Page_last 100 _Citation.Year 2004 _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 . . . 5921 1 2 Kurt Wuthrich . . . 5921 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignment' 5921 1 sigma-factor 5921 1 'structural proteomics' 5921 1 'thermotoga maritima' 5921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TM1442 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TM1442 _Assembly.Entry_ID 5921 _Assembly.ID 1 _Assembly.Name TM1442 _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 5921 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 'Tm1442 monomer' 1 $TM1442 . . . native . . . . . 5921 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TM1442 system 5921 1 TM1442 abbreviation 5921 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'putative anti-sigma-factor antagonist' 5921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1442 _Entity.Sf_category entity _Entity.Sf_framecode TM1442 _Entity.Entry_ID 5921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'anti-sigma-factor antagonist' _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 ; MNNLKLDIVEQDDKAIVRVQ GDIDAYNSSELKEQLRNFIS TTSKKKIVLDLSSVSYMDSA GLGTLVVILKDAKINGKEFI LSSLKESISRILKLTHLDKI FKITDTVEEA ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6232 . TM1442 . . . . . 100.00 110 99.09 99.09 8.47e-68 . . . . 5921 1 2 no PDB 1SBO . "Solution Structure Of Putative Anti Sigma Factor Antagonist From Thermotoga Maritima (Tm1442)" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 3 no PDB 1T6R . "Solution Structure Of Tm1442, A Putative Anti Sigma Factor Antagonist In Phosphorylated State" . . . . . 100.00 110 99.09 99.09 8.47e-68 . . . . 5921 1 4 no PDB 1VC1 . "Crystal Structure Of The Tm1442 Protein From Thermotoga Maritima, A Homolog Of The Bacillus Subtilis General Stress Response An" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 5 no GB AAD36511 . "anti-sigma factor antagonist, putative [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 6 no GB ACB09678 . "anti-sigma-factor antagonist [Thermotoga sp. RQ2]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 7 no GB ADA67453 . "anti-sigma-factor antagonist [Thermotoga naphthophila RKU-10]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 8 no GB AGL50372 . "anti-sigma F factor antagonist (spoIIAA-2); anti sigma b factor antagonist RsbV [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 9 no GB AHD18665 . "anti-sigma factor antagonist [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 10 no REF NP_229241 . "anti-sigma factor antagonist [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 11 no REF WP_004081714 . "MULTISPECIES: anti-sigma factor antagonist [Thermotoga]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 12 no REF YP_001739361 . "anti-sigma-factor antagonist [Thermotoga sp. RQ2]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 13 no REF YP_003346867 . "anti-sigma-factor antagonist [Thermotoga naphthophila RKU-10]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 14 no REF YP_007977797 . "anti-sigma F factor antagonist (spoIIAA-2); anti sigma b factor antagonist RsbV [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 15 no SP Q9X1F5 . "RecName: Full=Putative anti-sigma factor antagonist TM_1442 [Thermotoga maritima MSB8]" . . . . . 100.00 110 100.00 100.00 1.56e-68 . . . . 5921 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'anti-sigma-factor antagonist' common 5921 1 TM1442 abbreviation 5921 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 . 5921 1 2 . ASN . 5921 1 3 . ASN . 5921 1 4 . LEU . 5921 1 5 . LYS . 5921 1 6 . LEU . 5921 1 7 . ASP . 5921 1 8 . ILE . 5921 1 9 . VAL . 5921 1 10 . GLU . 5921 1 11 . GLN . 5921 1 12 . ASP . 5921 1 13 . ASP . 5921 1 14 . LYS . 5921 1 15 . ALA . 5921 1 16 . ILE . 5921 1 17 . VAL . 5921 1 18 . ARG . 5921 1 19 . VAL . 5921 1 20 . GLN . 5921 1 21 . GLY . 5921 1 22 . ASP . 5921 1 23 . ILE . 5921 1 24 . ASP . 5921 1 25 . ALA . 5921 1 26 . TYR . 5921 1 27 . ASN . 5921 1 28 . SER . 5921 1 29 . SER . 5921 1 30 . GLU . 5921 1 31 . LEU . 5921 1 32 . LYS . 5921 1 33 . GLU . 5921 1 34 . GLN . 5921 1 35 . LEU . 5921 1 36 . ARG . 5921 1 37 . ASN . 5921 1 38 . PHE . 5921 1 39 . ILE . 5921 1 40 . SER . 5921 1 41 . THR . 5921 1 42 . THR . 5921 1 43 . SER . 5921 1 44 . LYS . 5921 1 45 . LYS . 5921 1 46 . LYS . 5921 1 47 . ILE . 5921 1 48 . VAL . 5921 1 49 . LEU . 5921 1 50 . ASP . 5921 1 51 . LEU . 5921 1 52 . SER . 5921 1 53 . SER . 5921 1 54 . VAL . 5921 1 55 . SER . 5921 1 56 . TYR . 5921 1 57 . MET . 5921 1 58 . ASP . 5921 1 59 . SER . 5921 1 60 . ALA . 5921 1 61 . GLY . 5921 1 62 . LEU . 5921 1 63 . GLY . 5921 1 64 . THR . 5921 1 65 . LEU . 5921 1 66 . VAL . 5921 1 67 . VAL . 5921 1 68 . ILE . 5921 1 69 . LEU . 5921 1 70 . LYS . 5921 1 71 . ASP . 5921 1 72 . ALA . 5921 1 73 . LYS . 5921 1 74 . ILE . 5921 1 75 . ASN . 5921 1 76 . GLY . 5921 1 77 . LYS . 5921 1 78 . GLU . 5921 1 79 . PHE . 5921 1 80 . ILE . 5921 1 81 . LEU . 5921 1 82 . SER . 5921 1 83 . SER . 5921 1 84 . LEU . 5921 1 85 . LYS . 5921 1 86 . GLU . 5921 1 87 . SER . 5921 1 88 . ILE . 5921 1 89 . SER . 5921 1 90 . ARG . 5921 1 91 . ILE . 5921 1 92 . LEU . 5921 1 93 . LYS . 5921 1 94 . LEU . 5921 1 95 . THR . 5921 1 96 . HIS . 5921 1 97 . LEU . 5921 1 98 . ASP . 5921 1 99 . LYS . 5921 1 100 . ILE . 5921 1 101 . PHE . 5921 1 102 . LYS . 5921 1 103 . ILE . 5921 1 104 . THR . 5921 1 105 . ASP . 5921 1 106 . THR . 5921 1 107 . VAL . 5921 1 108 . GLU . 5921 1 109 . GLU . 5921 1 110 . ALA . 5921 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 5921 1 . ASN 2 2 5921 1 . ASN 3 3 5921 1 . LEU 4 4 5921 1 . LYS 5 5 5921 1 . LEU 6 6 5921 1 . ASP 7 7 5921 1 . ILE 8 8 5921 1 . VAL 9 9 5921 1 . GLU 10 10 5921 1 . GLN 11 11 5921 1 . ASP 12 12 5921 1 . ASP 13 13 5921 1 . LYS 14 14 5921 1 . ALA 15 15 5921 1 . ILE 16 16 5921 1 . VAL 17 17 5921 1 . ARG 18 18 5921 1 . VAL 19 19 5921 1 . GLN 20 20 5921 1 . GLY 21 21 5921 1 . ASP 22 22 5921 1 . ILE 23 23 5921 1 . ASP 24 24 5921 1 . ALA 25 25 5921 1 . TYR 26 26 5921 1 . ASN 27 27 5921 1 . SER 28 28 5921 1 . SER 29 29 5921 1 . GLU 30 30 5921 1 . LEU 31 31 5921 1 . LYS 32 32 5921 1 . GLU 33 33 5921 1 . GLN 34 34 5921 1 . LEU 35 35 5921 1 . ARG 36 36 5921 1 . ASN 37 37 5921 1 . PHE 38 38 5921 1 . ILE 39 39 5921 1 . SER 40 40 5921 1 . THR 41 41 5921 1 . THR 42 42 5921 1 . SER 43 43 5921 1 . LYS 44 44 5921 1 . LYS 45 45 5921 1 . LYS 46 46 5921 1 . ILE 47 47 5921 1 . VAL 48 48 5921 1 . LEU 49 49 5921 1 . ASP 50 50 5921 1 . LEU 51 51 5921 1 . SER 52 52 5921 1 . SER 53 53 5921 1 . VAL 54 54 5921 1 . SER 55 55 5921 1 . TYR 56 56 5921 1 . MET 57 57 5921 1 . ASP 58 58 5921 1 . SER 59 59 5921 1 . ALA 60 60 5921 1 . GLY 61 61 5921 1 . LEU 62 62 5921 1 . GLY 63 63 5921 1 . THR 64 64 5921 1 . LEU 65 65 5921 1 . VAL 66 66 5921 1 . VAL 67 67 5921 1 . ILE 68 68 5921 1 . LEU 69 69 5921 1 . LYS 70 70 5921 1 . ASP 71 71 5921 1 . ALA 72 72 5921 1 . LYS 73 73 5921 1 . ILE 74 74 5921 1 . ASN 75 75 5921 1 . GLY 76 76 5921 1 . LYS 77 77 5921 1 . GLU 78 78 5921 1 . PHE 79 79 5921 1 . ILE 80 80 5921 1 . LEU 81 81 5921 1 . SER 82 82 5921 1 . SER 83 83 5921 1 . LEU 84 84 5921 1 . LYS 85 85 5921 1 . GLU 86 86 5921 1 . SER 87 87 5921 1 . ILE 88 88 5921 1 . SER 89 89 5921 1 . ARG 90 90 5921 1 . ILE 91 91 5921 1 . LEU 92 92 5921 1 . LYS 93 93 5921 1 . LEU 94 94 5921 1 . THR 95 95 5921 1 . HIS 96 96 5921 1 . LEU 97 97 5921 1 . ASP 98 98 5921 1 . LYS 99 99 5921 1 . ILE 100 100 5921 1 . PHE 101 101 5921 1 . LYS 102 102 5921 1 . ILE 103 103 5921 1 . THR 104 104 5921 1 . ASP 105 105 5921 1 . THR 106 106 5921 1 . VAL 107 107 5921 1 . GLU 108 108 5921 1 . GLU 109 109 5921 1 . ALA 110 110 5921 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 5921 _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 $TM1442 . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 5921 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 5921 _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 $TM1442 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5921 _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 'anti-sigma-factor antagonist' . . . 1 $TM1442 . . 4 . . mM . . . . 5921 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5921 _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 'anti-sigma-factor antagonist' '[U-98% 15N]' . . 1 $TM1442 . . 2 . . mM . . . . 5921 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5921 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'anti-sigma-factor antagonist' '[U-99% 13C; U-98% 15N]' . . 1 $TM1442 . . 2 . . mM . . . . 5921 3 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 5921 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.8 0.1 n/a 5921 1 temperature 313 0.1 K 5921 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5921 _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 5921 _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 5921 _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 . . . 5921 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 5921 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 5921 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5921 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5921 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5921 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5921 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5921 _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 $sample_1 . 5921 1 . . 2 $sample_2 . 5921 1 . . 3 $sample_3 . 5921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.100 0.02 . 1 . . . . . . . . 5921 1 2 . 1 1 1 1 MET HE2 H 1 2.100 0.02 . 1 . . . . . . . . 5921 1 3 . 1 1 1 1 MET HE3 H 1 2.100 0.02 . 1 . . . . . . . . 5921 1 4 . 1 1 1 1 MET CE C 13 16.800 0.05 . 1 . . . . . . . . 5921 1 5 . 1 1 2 2 ASN ND2 N 15 112.310 0.03 . 1 . . . . . . . . 5921 1 6 . 1 1 2 2 ASN HD21 H 1 6.921 0.02 . 1 . . . . . . . . 5921 1 7 . 1 1 2 2 ASN HD22 H 1 7.649 0.02 . 1 . . . . . . . . 5921 1 8 . 1 1 3 3 ASN N N 15 120.034 0.03 . 1 . . . . . . . . 5921 1 9 . 1 1 3 3 ASN H H 1 8.620 0.02 . 1 . . . . . . . . 5921 1 10 . 1 1 3 3 ASN CA C 13 53.285 0.05 . 1 . . . . . . . . 5921 1 11 . 1 1 3 3 ASN HA H 1 4.785 0.02 . 1 . . . . . . . . 5921 1 12 . 1 1 3 3 ASN CB C 13 38.904 0.05 . 1 . . . . . . . . 5921 1 13 . 1 1 3 3 ASN HB2 H 1 2.941 0.02 . 1 . . . . . . . . 5921 1 14 . 1 1 3 3 ASN HB3 H 1 3.010 0.02 . 1 . . . . . . . . 5921 1 15 . 1 1 3 3 ASN ND2 N 15 112.493 0.03 . 1 . . . . . . . . 5921 1 16 . 1 1 3 3 ASN HD21 H 1 7.007 0.02 . 1 . . . . . . . . 5921 1 17 . 1 1 3 3 ASN HD22 H 1 7.732 0.02 . 1 . . . . . . . . 5921 1 18 . 1 1 3 3 ASN C C 13 174.034 0.05 . 1 . . . . . . . . 5921 1 19 . 1 1 4 4 LEU N N 15 121.647 0.03 . 1 . . . . . . . . 5921 1 20 . 1 1 4 4 LEU H H 1 8.031 0.02 . 1 . . . . . . . . 5921 1 21 . 1 1 4 4 LEU CA C 13 54.905 0.05 . 1 . . . . . . . . 5921 1 22 . 1 1 4 4 LEU HA H 1 4.774 0.02 . 1 . . . . . . . . 5921 1 23 . 1 1 4 4 LEU CB C 13 43.506 0.05 . 1 . . . . . . . . 5921 1 24 . 1 1 4 4 LEU HB2 H 1 1.660 0.02 . 1 . . . . . . . . 5921 1 25 . 1 1 4 4 LEU HB3 H 1 1.572 0.02 . 1 . . . . . . . . 5921 1 26 . 1 1 4 4 LEU CG C 13 26.989 0.05 . 1 . . . . . . . . 5921 1 27 . 1 1 4 4 LEU HG H 1 1.462 0.02 . 1 . . . . . . . . 5921 1 28 . 1 1 4 4 LEU HD11 H 1 0.834 0.02 . 1 . . . . . . . . 5921 1 29 . 1 1 4 4 LEU HD12 H 1 0.834 0.02 . 1 . . . . . . . . 5921 1 30 . 1 1 4 4 LEU HD13 H 1 0.834 0.02 . 1 . . . . . . . . 5921 1 31 . 1 1 4 4 LEU HD21 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 32 . 1 1 4 4 LEU HD22 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 33 . 1 1 4 4 LEU HD23 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 34 . 1 1 4 4 LEU CD1 C 13 24.403 0.05 . 1 . . . . . . . . 5921 1 35 . 1 1 4 4 LEU CD2 C 13 25.709 0.05 . 1 . . . . . . . . 5921 1 36 . 1 1 4 4 LEU C C 13 175.792 0.05 . 1 . . . . . . . . 5921 1 37 . 1 1 5 5 LYS N N 15 126.500 0.03 . 1 . . . . . . . . 5921 1 38 . 1 1 5 5 LYS H H 1 8.552 0.02 . 1 . . . . . . . . 5921 1 39 . 1 1 5 5 LYS CA C 13 55.356 0.05 . 1 . . . . . . . . 5921 1 40 . 1 1 5 5 LYS HA H 1 4.613 0.02 . 1 . . . . . . . . 5921 1 41 . 1 1 5 5 LYS CB C 13 35.076 0.05 . 1 . . . . . . . . 5921 1 42 . 1 1 5 5 LYS HB2 H 1 1.832 0.02 . 1 . . . . . . . . 5921 1 43 . 1 1 5 5 LYS HB3 H 1 1.729 0.02 . 1 . . . . . . . . 5921 1 44 . 1 1 5 5 LYS CG C 13 24.605 0.05 . 1 . . . . . . . . 5921 1 45 . 1 1 5 5 LYS HG2 H 1 1.413 0.02 . 1 . . . . . . . . 5921 1 46 . 1 1 5 5 LYS HD2 H 1 1.798 0.02 . 1 . . . . . . . . 5921 1 47 . 1 1 5 5 LYS CD C 13 28.822 0.05 . 1 . . . . . . . . 5921 1 48 . 1 1 5 5 LYS CE C 13 42.035 0.05 . 1 . . . . . . . . 5921 1 49 . 1 1 5 5 LYS HE2 H 1 3.024 0.02 . 1 . . . . . . . . 5921 1 50 . 1 1 5 5 LYS C C 13 174.208 0.05 . 1 . . . . . . . . 5921 1 51 . 1 1 6 6 LEU N N 15 123.766 0.03 . 1 . . . . . . . . 5921 1 52 . 1 1 6 6 LEU H H 1 8.524 0.02 . 1 . . . . . . . . 5921 1 53 . 1 1 6 6 LEU CA C 13 53.417 0.05 . 1 . . . . . . . . 5921 1 54 . 1 1 6 6 LEU HA H 1 5.114 0.02 . 1 . . . . . . . . 5921 1 55 . 1 1 6 6 LEU CB C 13 43.981 0.05 . 1 . . . . . . . . 5921 1 56 . 1 1 6 6 LEU HB2 H 1 1.672 0.02 . 1 . . . . . . . . 5921 1 57 . 1 1 6 6 LEU HB3 H 1 1.145 0.02 . 1 . . . . . . . . 5921 1 58 . 1 1 6 6 LEU CG C 13 27.049 0.05 . 1 . . . . . . . . 5921 1 59 . 1 1 6 6 LEU HG H 1 1.557 0.02 . 1 . . . . . . . . 5921 1 60 . 1 1 6 6 LEU HD11 H 1 0.744 0.02 . 1 . . . . . . . . 5921 1 61 . 1 1 6 6 LEU HD12 H 1 0.744 0.02 . 1 . . . . . . . . 5921 1 62 . 1 1 6 6 LEU HD13 H 1 0.744 0.02 . 1 . . . . . . . . 5921 1 63 . 1 1 6 6 LEU HD21 H 1 0.681 0.02 . 1 . . . . . . . . 5921 1 64 . 1 1 6 6 LEU HD22 H 1 0.681 0.02 . 1 . . . . . . . . 5921 1 65 . 1 1 6 6 LEU HD23 H 1 0.681 0.02 . 1 . . . . . . . . 5921 1 66 . 1 1 6 6 LEU CD1 C 13 25.038 0.05 . 1 . . . . . . . . 5921 1 67 . 1 1 6 6 LEU CD2 C 13 25.631 0.05 . 1 . . . . . . . . 5921 1 68 . 1 1 6 6 LEU C C 13 175.601 0.05 . 1 . . . . . . . . 5921 1 69 . 1 1 7 7 ASP N N 15 122.814 0.03 . 1 . . . . . . . . 5921 1 70 . 1 1 7 7 ASP H H 1 8.334 0.02 . 1 . . . . . . . . 5921 1 71 . 1 1 7 7 ASP CA C 13 53.314 0.05 . 1 . . . . . . . . 5921 1 72 . 1 1 7 7 ASP HA H 1 4.984 0.02 . 1 . . . . . . . . 5921 1 73 . 1 1 7 7 ASP CB C 13 43.612 0.05 . 1 . . . . . . . . 5921 1 74 . 1 1 7 7 ASP HB2 H 1 2.695 0.02 . 1 . . . . . . . . 5921 1 75 . 1 1 7 7 ASP HB3 H 1 2.551 0.02 . 1 . . . . . . . . 5921 1 76 . 1 1 7 7 ASP C C 13 174.358 0.05 . 1 . . . . . . . . 5921 1 77 . 1 1 8 8 ILE N N 15 124.551 0.03 . 1 . . . . . . . . 5921 1 78 . 1 1 8 8 ILE H H 1 8.472 0.02 . 1 . . . . . . . . 5921 1 79 . 1 1 8 8 ILE CA C 13 60.711 0.05 . 1 . . . . . . . . 5921 1 80 . 1 1 8 8 ILE HA H 1 4.934 0.02 . 1 . . . . . . . . 5921 1 81 . 1 1 8 8 ILE CB C 13 39.770 0.05 . 1 . . . . . . . . 5921 1 82 . 1 1 8 8 ILE HB H 1 1.553 0.02 . 1 . . . . . . . . 5921 1 83 . 1 1 8 8 ILE HG21 H 1 0.455 0.02 . 1 . . . . . . . . 5921 1 84 . 1 1 8 8 ILE HG22 H 1 0.455 0.02 . 1 . . . . . . . . 5921 1 85 . 1 1 8 8 ILE HG23 H 1 0.455 0.02 . 1 . . . . . . . . 5921 1 86 . 1 1 8 8 ILE CG2 C 13 17.201 0.05 . 1 . . . . . . . . 5921 1 87 . 1 1 8 8 ILE CG1 C 13 27.952 0.05 . 1 . . . . . . . . 5921 1 88 . 1 1 8 8 ILE HG12 H 1 1.325 0.02 . 1 . . . . . . . . 5921 1 89 . 1 1 8 8 ILE HG13 H 1 0.606 0.02 . 1 . . . . . . . . 5921 1 90 . 1 1 8 8 ILE HD11 H 1 0.318 0.02 . 1 . . . . . . . . 5921 1 91 . 1 1 8 8 ILE HD12 H 1 0.318 0.02 . 1 . . . . . . . . 5921 1 92 . 1 1 8 8 ILE HD13 H 1 0.318 0.02 . 1 . . . . . . . . 5921 1 93 . 1 1 8 8 ILE CD1 C 13 12.304 0.05 . 1 . . . . . . . . 5921 1 94 . 1 1 8 8 ILE C C 13 175.543 0.05 . 1 . . . . . . . . 5921 1 95 . 1 1 9 9 VAL N N 15 127.816 0.03 . 1 . . . . . . . . 5921 1 96 . 1 1 9 9 VAL H H 1 9.163 0.02 . 1 . . . . . . . . 5921 1 97 . 1 1 9 9 VAL CA C 13 60.506 0.05 . 1 . . . . . . . . 5921 1 98 . 1 1 9 9 VAL HA H 1 4.480 0.02 . 1 . . . . . . . . 5921 1 99 . 1 1 9 9 VAL CB C 13 35.124 0.05 . 1 . . . . . . . . 5921 1 100 . 1 1 9 9 VAL HB H 1 2.070 0.02 . 1 . . . . . . . . 5921 1 101 . 1 1 9 9 VAL HG11 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 102 . 1 1 9 9 VAL HG12 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 103 . 1 1 9 9 VAL HG13 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 104 . 1 1 9 9 VAL HG21 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 105 . 1 1 9 9 VAL HG22 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 106 . 1 1 9 9 VAL HG23 H 1 0.946 0.02 . 1 . . . . . . . . 5921 1 107 . 1 1 9 9 VAL CG1 C 13 20.553 0.05 . 1 . . . . . . . . 5921 1 108 . 1 1 9 9 VAL CG2 C 13 20.375 0.05 . 1 . . . . . . . . 5921 1 109 . 1 1 9 9 VAL C C 13 174.530 0.05 . 1 . . . . . . . . 5921 1 110 . 1 1 10 10 GLU N N 15 124.353 0.03 . 1 . . . . . . . . 5921 1 111 . 1 1 10 10 GLU H H 1 8.787 0.02 . 1 . . . . . . . . 5921 1 112 . 1 1 10 10 GLU CA C 13 55.748 0.05 . 1 . . . . . . . . 5921 1 113 . 1 1 10 10 GLU HA H 1 4.979 0.02 . 1 . . . . . . . . 5921 1 114 . 1 1 10 10 GLU CB C 13 31.431 0.05 . 1 . . . . . . . . 5921 1 115 . 1 1 10 10 GLU HB2 H 1 2.136 0.02 . 1 . . . . . . . . 5921 1 116 . 1 1 10 10 GLU HB3 H 1 1.947 0.02 . 1 . . . . . . . . 5921 1 117 . 1 1 10 10 GLU CG C 13 36.939 0.05 . 1 . . . . . . . . 5921 1 118 . 1 1 10 10 GLU HG2 H 1 2.495 0.02 . 1 . . . . . . . . 5921 1 119 . 1 1 10 10 GLU HG3 H 1 2.161 0.02 . 1 . . . . . . . . 5921 1 120 . 1 1 10 10 GLU C C 13 175.868 0.05 . 1 . . . . . . . . 5921 1 121 . 1 1 11 11 GLN N N 15 122.966 0.03 . 1 . . . . . . . . 5921 1 122 . 1 1 11 11 GLN H H 1 8.728 0.02 . 1 . . . . . . . . 5921 1 123 . 1 1 11 11 GLN CA C 13 54.456 0.05 . 1 . . . . . . . . 5921 1 124 . 1 1 11 11 GLN HA H 1 4.673 0.02 . 1 . . . . . . . . 5921 1 125 . 1 1 11 11 GLN CB C 13 31.055 0.05 . 1 . . . . . . . . 5921 1 126 . 1 1 11 11 GLN HB2 H 1 2.212 0.02 . 1 . . . . . . . . 5921 1 127 . 1 1 11 11 GLN HB3 H 1 1.992 0.02 . 1 . . . . . . . . 5921 1 128 . 1 1 11 11 GLN CG C 13 33.671 0.05 . 1 . . . . . . . . 5921 1 129 . 1 1 11 11 GLN HG2 H 1 2.293 0.02 . 1 . . . . . . . . 5921 1 130 . 1 1 11 11 GLN NE2 N 15 110.573 0.03 . 1 . . . . . . . . 5921 1 131 . 1 1 11 11 GLN HE21 H 1 6.818 0.02 . 1 . . . . . . . . 5921 1 132 . 1 1 11 11 GLN HE22 H 1 7.494 0.02 . 1 . . . . . . . . 5921 1 133 . 1 1 11 11 GLN C C 13 174.722 0.05 . 1 . . . . . . . . 5921 1 134 . 1 1 12 12 ASP N N 15 121.888 0.03 . 1 . . . . . . . . 5921 1 135 . 1 1 12 12 ASP H H 1 8.820 0.02 . 1 . . . . . . . . 5921 1 136 . 1 1 12 12 ASP CA C 13 57.381 0.05 . 1 . . . . . . . . 5921 1 137 . 1 1 12 12 ASP HA H 1 4.278 0.02 . 1 . . . . . . . . 5921 1 138 . 1 1 12 12 ASP CB C 13 39.715 0.05 . 1 . . . . . . . . 5921 1 139 . 1 1 12 12 ASP HB2 H 1 2.859 0.02 . 1 . . . . . . . . 5921 1 140 . 1 1 12 12 ASP C C 13 176.108 0.05 . 1 . . . . . . . . 5921 1 141 . 1 1 13 13 ASP N N 15 117.939 0.03 . 1 . . . . . . . . 5921 1 142 . 1 1 13 13 ASP H H 1 8.815 0.02 . 1 . . . . . . . . 5921 1 143 . 1 1 13 13 ASP CA C 13 53.600 0.05 . 1 . . . . . . . . 5921 1 144 . 1 1 13 13 ASP HA H 1 4.850 0.02 . 1 . . . . . . . . 5921 1 145 . 1 1 13 13 ASP CB C 13 40.737 0.05 . 1 . . . . . . . . 5921 1 146 . 1 1 13 13 ASP HB2 H 1 2.943 0.02 . 1 . . . . . . . . 5921 1 147 . 1 1 13 13 ASP HB3 H 1 2.765 0.02 . 1 . . . . . . . . 5921 1 148 . 1 1 13 13 ASP C C 13 175.614 0.05 . 1 . . . . . . . . 5921 1 149 . 1 1 14 14 LYS N N 15 116.448 0.03 . 1 . . . . . . . . 5921 1 150 . 1 1 14 14 LYS H H 1 7.951 0.02 . 1 . . . . . . . . 5921 1 151 . 1 1 14 14 LYS CA C 13 54.712 0.05 . 1 . . . . . . . . 5921 1 152 . 1 1 14 14 LYS HA H 1 5.197 0.02 . 1 . . . . . . . . 5921 1 153 . 1 1 14 14 LYS CB C 13 35.249 0.05 . 1 . . . . . . . . 5921 1 154 . 1 1 14 14 LYS HB2 H 1 1.735 0.02 . 1 . . . . . . . . 5921 1 155 . 1 1 14 14 LYS HB3 H 1 1.687 0.02 . 1 . . . . . . . . 5921 1 156 . 1 1 14 14 LYS CG C 13 23.086 0.05 . 1 . . . . . . . . 5921 1 157 . 1 1 14 14 LYS HG2 H 1 1.455 0.02 . 1 . . . . . . . . 5921 1 158 . 1 1 14 14 LYS HG3 H 1 1.267 0.02 . 1 . . . . . . . . 5921 1 159 . 1 1 14 14 LYS CD C 13 28.450 0.05 . 1 . . . . . . . . 5921 1 160 . 1 1 14 14 LYS HD2 H 1 1.547 0.02 . 1 . . . . . . . . 5921 1 161 . 1 1 14 14 LYS CE C 13 41.573 0.05 . 1 . . . . . . . . 5921 1 162 . 1 1 14 14 LYS HE2 H 1 2.922 0.02 . 1 . . . . . . . . 5921 1 163 . 1 1 14 14 LYS C C 13 175.841 0.05 . 1 . . . . . . . . 5921 1 164 . 1 1 15 15 ALA N N 15 123.050 0.03 . 1 . . . . . . . . 5921 1 165 . 1 1 15 15 ALA H H 1 8.780 0.02 . 1 . . . . . . . . 5921 1 166 . 1 1 15 15 ALA CA C 13 50.292 0.05 . 1 . . . . . . . . 5921 1 167 . 1 1 15 15 ALA HA H 1 5.166 0.02 . 1 . . . . . . . . 5921 1 168 . 1 1 15 15 ALA HB1 H 1 1.575 0.02 . 1 . . . . . . . . 5921 1 169 . 1 1 15 15 ALA HB2 H 1 1.575 0.02 . 1 . . . . . . . . 5921 1 170 . 1 1 15 15 ALA HB3 H 1 1.575 0.02 . 1 . . . . . . . . 5921 1 171 . 1 1 15 15 ALA CB C 13 21.270 0.05 . 1 . . . . . . . . 5921 1 172 . 1 1 15 15 ALA C C 13 175.002 0.05 . 1 . . . . . . . . 5921 1 173 . 1 1 16 16 ILE N N 15 123.451 0.03 . 1 . . . . . . . . 5921 1 174 . 1 1 16 16 ILE H H 1 9.341 0.02 . 1 . . . . . . . . 5921 1 175 . 1 1 16 16 ILE CA C 13 60.159 0.05 . 1 . . . . . . . . 5921 1 176 . 1 1 16 16 ILE HA H 1 4.761 0.02 . 1 . . . . . . . . 5921 1 177 . 1 1 16 16 ILE CB C 13 39.421 0.05 . 1 . . . . . . . . 5921 1 178 . 1 1 16 16 ILE HB H 1 1.886 0.02 . 1 . . . . . . . . 5921 1 179 . 1 1 16 16 ILE HG21 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 180 . 1 1 16 16 ILE HG22 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 181 . 1 1 16 16 ILE HG23 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 182 . 1 1 16 16 ILE CG2 C 13 18.471 0.05 . 1 . . . . . . . . 5921 1 183 . 1 1 16 16 ILE CG1 C 13 27.817 0.05 . 1 . . . . . . . . 5921 1 184 . 1 1 16 16 ILE HG12 H 1 1.425 0.02 . 1 . . . . . . . . 5921 1 185 . 1 1 16 16 ILE HD11 H 1 0.779 0.02 . 1 . . . . . . . . 5921 1 186 . 1 1 16 16 ILE HD12 H 1 0.779 0.02 . 1 . . . . . . . . 5921 1 187 . 1 1 16 16 ILE HD13 H 1 0.779 0.02 . 1 . . . . . . . . 5921 1 188 . 1 1 16 16 ILE CD1 C 13 14.313 0.05 . 1 . . . . . . . . 5921 1 189 . 1 1 16 16 ILE C C 13 174.459 0.05 . 1 . . . . . . . . 5921 1 190 . 1 1 17 17 VAL N N 15 127.934 0.03 . 1 . . . . . . . . 5921 1 191 . 1 1 17 17 VAL H H 1 9.492 0.02 . 1 . . . . . . . . 5921 1 192 . 1 1 17 17 VAL CA C 13 60.353 0.05 . 1 . . . . . . . . 5921 1 193 . 1 1 17 17 VAL HA H 1 4.465 0.02 . 1 . . . . . . . . 5921 1 194 . 1 1 17 17 VAL CB C 13 32.131 0.05 . 1 . . . . . . . . 5921 1 195 . 1 1 17 17 VAL HB H 1 2.147 0.02 . 1 . . . . . . . . 5921 1 196 . 1 1 17 17 VAL HG11 H 1 0.672 0.02 . 1 . . . . . . . . 5921 1 197 . 1 1 17 17 VAL HG12 H 1 0.672 0.02 . 1 . . . . . . . . 5921 1 198 . 1 1 17 17 VAL HG13 H 1 0.672 0.02 . 1 . . . . . . . . 5921 1 199 . 1 1 17 17 VAL HG21 H 1 0.615 0.02 . 1 . . . . . . . . 5921 1 200 . 1 1 17 17 VAL HG22 H 1 0.615 0.02 . 1 . . . . . . . . 5921 1 201 . 1 1 17 17 VAL HG23 H 1 0.615 0.02 . 1 . . . . . . . . 5921 1 202 . 1 1 17 17 VAL CG1 C 13 21.597 0.05 . 1 . . . . . . . . 5921 1 203 . 1 1 17 17 VAL CG2 C 13 19.536 0.05 . 1 . . . . . . . . 5921 1 204 . 1 1 17 17 VAL C C 13 174.923 0.05 . 1 . . . . . . . . 5921 1 205 . 1 1 18 18 ARG N N 15 127.724 0.03 . 1 . . . . . . . . 5921 1 206 . 1 1 18 18 ARG H H 1 9.328 0.02 . 1 . . . . . . . . 5921 1 207 . 1 1 18 18 ARG CA C 13 55.798 0.05 . 1 . . . . . . . . 5921 1 208 . 1 1 18 18 ARG HA H 1 4.897 0.02 . 1 . . . . . . . . 5921 1 209 . 1 1 18 18 ARG CB C 13 30.499 0.05 . 1 . . . . . . . . 5921 1 210 . 1 1 18 18 ARG HB2 H 1 1.937 0.02 . 1 . . . . . . . . 5921 1 211 . 1 1 18 18 ARG CG C 13 27.991 0.05 . 1 . . . . . . . . 5921 1 212 . 1 1 18 18 ARG HG2 H 1 1.627 0.02 . 1 . . . . . . . . 5921 1 213 . 1 1 18 18 ARG HG3 H 1 1.613 0.02 . 1 . . . . . . . . 5921 1 214 . 1 1 18 18 ARG CD C 13 43.455 0.05 . 1 . . . . . . . . 5921 1 215 . 1 1 18 18 ARG HD2 H 1 3.205 0.02 . 1 . . . . . . . . 5921 1 216 . 1 1 18 18 ARG NE N 15 85.213 0.03 . 1 . . . . . . . . 5921 1 217 . 1 1 18 18 ARG HE H 1 7.426 0.02 . 1 . . . . . . . . 5921 1 218 . 1 1 18 18 ARG C C 13 175.654 0.05 . 1 . . . . . . . . 5921 1 219 . 1 1 19 19 VAL N N 15 123.451 0.03 . 1 . . . . . . . . 5921 1 220 . 1 1 19 19 VAL H H 1 7.263 0.02 . 1 . . . . . . . . 5921 1 221 . 1 1 19 19 VAL CA C 13 61.415 0.05 . 1 . . . . . . . . 5921 1 222 . 1 1 19 19 VAL HA H 1 4.409 0.02 . 1 . . . . . . . . 5921 1 223 . 1 1 19 19 VAL CB C 13 32.984 0.05 . 1 . . . . . . . . 5921 1 224 . 1 1 19 19 VAL HB H 1 1.889 0.02 . 1 . . . . . . . . 5921 1 225 . 1 1 19 19 VAL HG11 H 1 0.790 0.02 . 1 . . . . . . . . 5921 1 226 . 1 1 19 19 VAL HG12 H 1 0.790 0.02 . 1 . . . . . . . . 5921 1 227 . 1 1 19 19 VAL HG13 H 1 0.790 0.02 . 1 . . . . . . . . 5921 1 228 . 1 1 19 19 VAL HG21 H 1 0.789 0.02 . 1 . . . . . . . . 5921 1 229 . 1 1 19 19 VAL HG22 H 1 0.789 0.02 . 1 . . . . . . . . 5921 1 230 . 1 1 19 19 VAL HG23 H 1 0.789 0.02 . 1 . . . . . . . . 5921 1 231 . 1 1 19 19 VAL CG1 C 13 21.675 0.05 . 1 . . . . . . . . 5921 1 232 . 1 1 19 19 VAL CG2 C 13 21.791 0.05 . 1 . . . . . . . . 5921 1 233 . 1 1 19 19 VAL C C 13 174.746 0.05 . 1 . . . . . . . . 5921 1 234 . 1 1 20 20 GLN N N 15 126.643 0.03 . 1 . . . . . . . . 5921 1 235 . 1 1 20 20 GLN H H 1 8.752 0.02 . 1 . . . . . . . . 5921 1 236 . 1 1 20 20 GLN CA C 13 55.014 0.05 . 1 . . . . . . . . 5921 1 237 . 1 1 20 20 GLN HA H 1 4.620 0.02 . 1 . . . . . . . . 5921 1 238 . 1 1 20 20 GLN CB C 13 30.324 0.05 . 1 . . . . . . . . 5921 1 239 . 1 1 20 20 GLN HB2 H 1 2.150 0.02 . 1 . . . . . . . . 5921 1 240 . 1 1 20 20 GLN HB3 H 1 2.036 0.02 . 1 . . . . . . . . 5921 1 241 . 1 1 20 20 GLN CG C 13 33.514 0.05 . 1 . . . . . . . . 5921 1 242 . 1 1 20 20 GLN HG2 H 1 2.267 0.02 . 1 . . . . . . . . 5921 1 243 . 1 1 20 20 GLN HG3 H 1 2.035 0.02 . 1 . . . . . . . . 5921 1 244 . 1 1 20 20 GLN NE2 N 15 111.132 0.03 . 1 . . . . . . . . 5921 1 245 . 1 1 20 20 GLN HE21 H 1 7.460 0.02 . 1 . . . . . . . . 5921 1 246 . 1 1 20 20 GLN HE22 H 1 6.933 0.02 . 1 . . . . . . . . 5921 1 247 . 1 1 20 20 GLN C C 13 174.311 0.05 . 1 . . . . . . . . 5921 1 248 . 1 1 21 21 GLY N N 15 111.744 0.03 . 1 . . . . . . . . 5921 1 249 . 1 1 21 21 GLY H H 1 7.753 0.02 . 1 . . . . . . . . 5921 1 250 . 1 1 21 21 GLY CA C 13 43.947 0.05 . 1 . . . . . . . . 5921 1 251 . 1 1 21 21 GLY HA2 H 1 4.518 0.02 . 1 . . . . . . . . 5921 1 252 . 1 1 21 21 GLY HA3 H 1 3.753 0.02 . 1 . . . . . . . . 5921 1 253 . 1 1 21 21 GLY C C 13 171.410 0.05 . 1 . . . . . . . . 5921 1 254 . 1 1 22 22 ASP N N 15 117.259 0.03 . 1 . . . . . . . . 5921 1 255 . 1 1 22 22 ASP H H 1 7.920 0.02 . 1 . . . . . . . . 5921 1 256 . 1 1 22 22 ASP CA C 13 53.946 0.05 . 1 . . . . . . . . 5921 1 257 . 1 1 22 22 ASP HA H 1 5.117 0.02 . 1 . . . . . . . . 5921 1 258 . 1 1 22 22 ASP CB C 13 42.019 0.05 . 1 . . . . . . . . 5921 1 259 . 1 1 22 22 ASP HB2 H 1 2.627 0.02 . 1 . . . . . . . . 5921 1 260 . 1 1 22 22 ASP HB3 H 1 2.701 0.02 . 1 . . . . . . . . 5921 1 261 . 1 1 22 22 ASP C C 13 175.853 0.05 . 1 . . . . . . . . 5921 1 262 . 1 1 23 23 ILE N N 15 120.335 0.03 . 1 . . . . . . . . 5921 1 263 . 1 1 23 23 ILE H H 1 7.811 0.02 . 1 . . . . . . . . 5921 1 264 . 1 1 23 23 ILE CA C 13 60.413 0.05 . 1 . . . . . . . . 5921 1 265 . 1 1 23 23 ILE HA H 1 4.484 0.02 . 1 . . . . . . . . 5921 1 266 . 1 1 23 23 ILE CB C 13 37.319 0.05 . 1 . . . . . . . . 5921 1 267 . 1 1 23 23 ILE HB H 1 1.834 0.02 . 1 . . . . . . . . 5921 1 268 . 1 1 23 23 ILE HG21 H 1 0.826 0.02 . 1 . . . . . . . . 5921 1 269 . 1 1 23 23 ILE HG22 H 1 0.826 0.02 . 1 . . . . . . . . 5921 1 270 . 1 1 23 23 ILE HG23 H 1 0.826 0.02 . 1 . . . . . . . . 5921 1 271 . 1 1 23 23 ILE CG2 C 13 18.002 0.05 . 1 . . . . . . . . 5921 1 272 . 1 1 23 23 ILE CG1 C 13 26.664 0.05 . 1 . . . . . . . . 5921 1 273 . 1 1 23 23 ILE HG12 H 1 1.724 0.02 . 1 . . . . . . . . 5921 1 274 . 1 1 23 23 ILE HD11 H 1 0.833 0.02 . 1 . . . . . . . . 5921 1 275 . 1 1 23 23 ILE HD12 H 1 0.833 0.02 . 1 . . . . . . . . 5921 1 276 . 1 1 23 23 ILE HD13 H 1 0.833 0.02 . 1 . . . . . . . . 5921 1 277 . 1 1 23 23 ILE CD1 C 13 13.338 0.05 . 1 . . . . . . . . 5921 1 278 . 1 1 23 23 ILE C C 13 173.877 0.05 . 1 . . . . . . . . 5921 1 279 . 1 1 24 24 ASP N N 15 124.736 0.03 . 1 . . . . . . . . 5921 1 280 . 1 1 24 24 ASP H H 1 8.476 0.02 . 1 . . . . . . . . 5921 1 281 . 1 1 24 24 ASP CA C 13 51.500 0.05 . 1 . . . . . . . . 5921 1 282 . 1 1 24 24 ASP HA H 1 5.462 0.02 . 1 . . . . . . . . 5921 1 283 . 1 1 24 24 ASP CB C 13 43.526 0.05 . 1 . . . . . . . . 5921 1 284 . 1 1 24 24 ASP HB2 H 1 3.303 0.02 . 1 . . . . . . . . 5921 1 285 . 1 1 24 24 ASP HB3 H 1 2.575 0.02 . 1 . . . . . . . . 5921 1 286 . 1 1 24 24 ASP C C 13 178.358 0.05 . 1 . . . . . . . . 5921 1 287 . 1 1 25 25 ALA N N 15 122.760 0.03 . 1 . . . . . . . . 5921 1 288 . 1 1 25 25 ALA H H 1 9.651 0.02 . 1 . . . . . . . . 5921 1 289 . 1 1 25 25 ALA CA C 13 54.946 0.05 . 1 . . . . . . . . 5921 1 290 . 1 1 25 25 ALA HA H 1 3.890 0.02 . 1 . . . . . . . . 5921 1 291 . 1 1 25 25 ALA HB1 H 1 1.277 0.02 . 1 . . . . . . . . 5921 1 292 . 1 1 25 25 ALA HB2 H 1 1.277 0.02 . 1 . . . . . . . . 5921 1 293 . 1 1 25 25 ALA HB3 H 1 1.277 0.02 . 1 . . . . . . . . 5921 1 294 . 1 1 25 25 ALA CB C 13 18.335 0.05 . 1 . . . . . . . . 5921 1 295 . 1 1 25 25 ALA C C 13 179.444 0.05 . 1 . . . . . . . . 5921 1 296 . 1 1 26 26 TYR N N 15 116.131 0.03 . 1 . . . . . . . . 5921 1 297 . 1 1 26 26 TYR H H 1 7.983 0.02 . 1 . . . . . . . . 5921 1 298 . 1 1 26 26 TYR CA C 13 59.952 0.05 . 1 . . . . . . . . 5921 1 299 . 1 1 26 26 TYR HA H 1 4.433 0.02 . 1 . . . . . . . . 5921 1 300 . 1 1 26 26 TYR CB C 13 37.822 0.05 . 1 . . . . . . . . 5921 1 301 . 1 1 26 26 TYR HB2 H 1 3.241 0.02 . 1 . . . . . . . . 5921 1 302 . 1 1 26 26 TYR HB3 H 1 3.188 0.02 . 1 . . . . . . . . 5921 1 303 . 1 1 26 26 TYR HD1 H 1 7.272 0.02 . 1 . . . . . . . . 5921 1 304 . 1 1 26 26 TYR HE1 H 1 6.939 0.02 . 1 . . . . . . . . 5921 1 305 . 1 1 26 26 TYR CD1 C 13 132.744 0.05 . 1 . . . . . . . . 5921 1 306 . 1 1 26 26 TYR CE1 C 13 118.087 0.05 . 1 . . . . . . . . 5921 1 307 . 1 1 26 26 TYR C C 13 177.509 0.05 . 1 . . . . . . . . 5921 1 308 . 1 1 27 27 ASN N N 15 115.727 0.03 . 1 . . . . . . . . 5921 1 309 . 1 1 27 27 ASN H H 1 8.276 0.02 . 1 . . . . . . . . 5921 1 310 . 1 1 27 27 ASN CA C 13 53.179 0.05 . 1 . . . . . . . . 5921 1 311 . 1 1 27 27 ASN HA H 1 5.093 0.02 . 1 . . . . . . . . 5921 1 312 . 1 1 27 27 ASN CB C 13 39.725 0.05 . 1 . . . . . . . . 5921 1 313 . 1 1 27 27 ASN HB2 H 1 3.207 0.02 . 1 . . . . . . . . 5921 1 314 . 1 1 27 27 ASN HB3 H 1 2.949 0.02 . 1 . . . . . . . . 5921 1 315 . 1 1 27 27 ASN ND2 N 15 111.450 0.03 . 1 . . . . . . . . 5921 1 316 . 1 1 27 27 ASN HD21 H 1 7.469 0.02 . 1 . . . . . . . . 5921 1 317 . 1 1 27 27 ASN HD22 H 1 7.917 0.02 . 1 . . . . . . . . 5921 1 318 . 1 1 27 27 ASN C C 13 177.786 0.05 . 1 . . . . . . . . 5921 1 319 . 1 1 28 28 SER N N 15 116.905 0.03 . 1 . . . . . . . . 5921 1 320 . 1 1 28 28 SER H H 1 8.257 0.02 . 1 . . . . . . . . 5921 1 321 . 1 1 28 28 SER CA C 13 63.876 0.05 . 1 . . . . . . . . 5921 1 322 . 1 1 28 28 SER HA H 1 4.253 0.02 . 1 . . . . . . . . 5921 1 323 . 1 1 28 28 SER CB C 13 62.595 0.05 . 1 . . . . . . . . 5921 1 324 . 1 1 28 28 SER HB2 H 1 3.960 0.02 . 1 . . . . . . . . 5921 1 325 . 1 1 28 28 SER C C 13 176.246 0.05 . 1 . . . . . . . . 5921 1 326 . 1 1 29 29 SER N N 15 117.884 0.03 . 1 . . . . . . . . 5921 1 327 . 1 1 29 29 SER H H 1 8.482 0.02 . 1 . . . . . . . . 5921 1 328 . 1 1 29 29 SER CA C 13 62.022 0.05 . 1 . . . . . . . . 5921 1 329 . 1 1 29 29 SER HA H 1 4.012 0.02 . 1 . . . . . . . . 5921 1 330 . 1 1 29 29 SER CB C 13 63.297 0.05 . 1 . . . . . . . . 5921 1 331 . 1 1 29 29 SER HB2 H 1 4.250 0.02 . 1 . . . . . . . . 5921 1 332 . 1 1 29 29 SER C C 13 176.582 0.05 . 1 . . . . . . . . 5921 1 333 . 1 1 30 30 GLU N N 15 122.902 0.03 . 1 . . . . . . . . 5921 1 334 . 1 1 30 30 GLU H H 1 7.984 0.02 . 1 . . . . . . . . 5921 1 335 . 1 1 30 30 GLU CA C 13 58.957 0.05 . 1 . . . . . . . . 5921 1 336 . 1 1 30 30 GLU HA H 1 4.257 0.02 . 1 . . . . . . . . 5921 1 337 . 1 1 30 30 GLU CB C 13 28.963 0.05 . 1 . . . . . . . . 5921 1 338 . 1 1 30 30 GLU HB2 H 1 2.209 0.02 . 1 . . . . . . . . 5921 1 339 . 1 1 30 30 GLU HB3 H 1 2.116 0.02 . 1 . . . . . . . . 5921 1 340 . 1 1 30 30 GLU CG C 13 35.412 0.05 . 1 . . . . . . . . 5921 1 341 . 1 1 30 30 GLU HG2 H 1 2.431 0.02 . 1 . . . . . . . . 5921 1 342 . 1 1 30 30 GLU C C 13 178.477 0.05 . 1 . . . . . . . . 5921 1 343 . 1 1 31 31 LEU N N 15 119.680 0.03 . 1 . . . . . . . . 5921 1 344 . 1 1 31 31 LEU H H 1 7.886 0.02 . 1 . . . . . . . . 5921 1 345 . 1 1 31 31 LEU CA C 13 58.254 0.05 . 1 . . . . . . . . 5921 1 346 . 1 1 31 31 LEU HA H 1 3.955 0.02 . 1 . . . . . . . . 5921 1 347 . 1 1 31 31 LEU CB C 13 41.548 0.05 . 1 . . . . . . . . 5921 1 348 . 1 1 31 31 LEU HB2 H 1 2.047 0.02 . 1 . . . . . . . . 5921 1 349 . 1 1 31 31 LEU HB3 H 1 1.563 0.02 . 1 . . . . . . . . 5921 1 350 . 1 1 31 31 LEU CG C 13 26.742 0.05 . 1 . . . . . . . . 5921 1 351 . 1 1 31 31 LEU HG H 1 1.562 0.02 . 1 . . . . . . . . 5921 1 352 . 1 1 31 31 LEU HD11 H 1 0.933 0.02 . 1 . . . . . . . . 5921 1 353 . 1 1 31 31 LEU HD12 H 1 0.933 0.02 . 1 . . . . . . . . 5921 1 354 . 1 1 31 31 LEU HD13 H 1 0.933 0.02 . 1 . . . . . . . . 5921 1 355 . 1 1 31 31 LEU HD21 H 1 0.886 0.02 . 1 . . . . . . . . 5921 1 356 . 1 1 31 31 LEU HD22 H 1 0.886 0.02 . 1 . . . . . . . . 5921 1 357 . 1 1 31 31 LEU HD23 H 1 0.886 0.02 . 1 . . . . . . . . 5921 1 358 . 1 1 31 31 LEU CD1 C 13 24.265 0.05 . 1 . . . . . . . . 5921 1 359 . 1 1 31 31 LEU CD2 C 13 26.215 0.05 . 1 . . . . . . . . 5921 1 360 . 1 1 31 31 LEU C C 13 177.707 0.05 . 1 . . . . . . . . 5921 1 361 . 1 1 32 32 LYS N N 15 117.438 0.03 . 1 . . . . . . . . 5921 1 362 . 1 1 32 32 LYS H H 1 8.322 0.02 . 1 . . . . . . . . 5921 1 363 . 1 1 32 32 LYS CA C 13 60.113 0.05 . 1 . . . . . . . . 5921 1 364 . 1 1 32 32 LYS HA H 1 3.705 0.02 . 1 . . . . . . . . 5921 1 365 . 1 1 32 32 LYS CB C 13 32.034 0.05 . 1 . . . . . . . . 5921 1 366 . 1 1 32 32 LYS HB2 H 1 2.093 0.02 . 1 . . . . . . . . 5921 1 367 . 1 1 32 32 LYS HB3 H 1 2.042 0.02 . 1 . . . . . . . . 5921 1 368 . 1 1 32 32 LYS CG C 13 24.497 0.05 . 1 . . . . . . . . 5921 1 369 . 1 1 32 32 LYS HG2 H 1 1.474 0.02 . 1 . . . . . . . . 5921 1 370 . 1 1 32 32 LYS HG3 H 1 1.414 0.02 . 1 . . . . . . . . 5921 1 371 . 1 1 32 32 LYS CD C 13 29.041 0.05 . 1 . . . . . . . . 5921 1 372 . 1 1 32 32 LYS HD2 H 1 1.811 0.02 . 1 . . . . . . . . 5921 1 373 . 1 1 32 32 LYS HD3 H 1 1.763 0.02 . 1 . . . . . . . . 5921 1 374 . 1 1 32 32 LYS CE C 13 42.098 0.05 . 1 . . . . . . . . 5921 1 375 . 1 1 32 32 LYS HE2 H 1 3.005 0.02 . 1 . . . . . . . . 5921 1 376 . 1 1 32 32 LYS HE3 H 1 2.999 0.02 . 1 . . . . . . . . 5921 1 377 . 1 1 32 32 LYS C C 13 177.766 0.05 . 1 . . . . . . . . 5921 1 378 . 1 1 33 33 GLU N N 15 117.527 0.03 . 1 . . . . . . . . 5921 1 379 . 1 1 33 33 GLU H H 1 8.008 0.02 . 1 . . . . . . . . 5921 1 380 . 1 1 33 33 GLU CA C 13 59.109 0.05 . 1 . . . . . . . . 5921 1 381 . 1 1 33 33 GLU HA H 1 4.114 0.02 . 1 . . . . . . . . 5921 1 382 . 1 1 33 33 GLU CB C 13 29.197 0.05 . 1 . . . . . . . . 5921 1 383 . 1 1 33 33 GLU HB2 H 1 2.214 0.02 . 1 . . . . . . . . 5921 1 384 . 1 1 33 33 GLU HB3 H 1 2.172 0.02 . 1 . . . . . . . . 5921 1 385 . 1 1 33 33 GLU CG C 13 35.385 0.05 . 1 . . . . . . . . 5921 1 386 . 1 1 33 33 GLU HG2 H 1 2.430 0.02 . 1 . . . . . . . . 5921 1 387 . 1 1 33 33 GLU C C 13 179.207 0.05 . 1 . . . . . . . . 5921 1 388 . 1 1 34 34 GLN N N 15 116.775 0.03 . 1 . . . . . . . . 5921 1 389 . 1 1 34 34 GLN H H 1 8.390 0.02 . 1 . . . . . . . . 5921 1 390 . 1 1 34 34 GLN CA C 13 59.125 0.05 . 1 . . . . . . . . 5921 1 391 . 1 1 34 34 GLN HA H 1 4.175 0.02 . 1 . . . . . . . . 5921 1 392 . 1 1 34 34 GLN CB C 13 28.687 0.05 . 1 . . . . . . . . 5921 1 393 . 1 1 34 34 GLN HB2 H 1 2.052 0.02 . 1 . . . . . . . . 5921 1 394 . 1 1 34 34 GLN CG C 13 34.432 0.05 . 1 . . . . . . . . 5921 1 395 . 1 1 34 34 GLN HG2 H 1 2.643 0.02 . 1 . . . . . . . . 5921 1 396 . 1 1 34 34 GLN HG3 H 1 2.486 0.02 . 1 . . . . . . . . 5921 1 397 . 1 1 34 34 GLN NE2 N 15 110.892 0.03 . 1 . . . . . . . . 5921 1 398 . 1 1 34 34 GLN HE21 H 1 6.890 0.02 . 1 . . . . . . . . 5921 1 399 . 1 1 34 34 GLN HE22 H 1 7.527 0.02 . 1 . . . . . . . . 5921 1 400 . 1 1 34 34 GLN C C 13 180.293 0.05 . 1 . . . . . . . . 5921 1 401 . 1 1 35 35 LEU N N 15 118.789 0.03 . 1 . . . . . . . . 5921 1 402 . 1 1 35 35 LEU H H 1 8.594 0.02 . 1 . . . . . . . . 5921 1 403 . 1 1 35 35 LEU CA C 13 57.166 0.05 . 1 . . . . . . . . 5921 1 404 . 1 1 35 35 LEU HA H 1 4.339 0.02 . 1 . . . . . . . . 5921 1 405 . 1 1 35 35 LEU CB C 13 40.574 0.05 . 1 . . . . . . . . 5921 1 406 . 1 1 35 35 LEU HB2 H 1 2.132 0.02 . 1 . . . . . . . . 5921 1 407 . 1 1 35 35 LEU HB3 H 1 1.436 0.02 . 1 . . . . . . . . 5921 1 408 . 1 1 35 35 LEU CG C 13 27.694 0.05 . 1 . . . . . . . . 5921 1 409 . 1 1 35 35 LEU HG H 1 1.943 0.02 . 1 . . . . . . . . 5921 1 410 . 1 1 35 35 LEU HD11 H 1 0.998 0.02 . 1 . . . . . . . . 5921 1 411 . 1 1 35 35 LEU HD12 H 1 0.998 0.02 . 1 . . . . . . . . 5921 1 412 . 1 1 35 35 LEU HD13 H 1 0.998 0.02 . 1 . . . . . . . . 5921 1 413 . 1 1 35 35 LEU HD21 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 414 . 1 1 35 35 LEU HD22 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 415 . 1 1 35 35 LEU HD23 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 416 . 1 1 35 35 LEU CD1 C 13 25.512 0.05 . 1 . . . . . . . . 5921 1 417 . 1 1 35 35 LEU CD2 C 13 23.000 0.05 . 1 . . . . . . . . 5921 1 418 . 1 1 35 35 LEU C C 13 178.694 0.05 . 1 . . . . . . . . 5921 1 419 . 1 1 36 36 ARG N N 15 120.698 0.03 . 1 . . . . . . . . 5921 1 420 . 1 1 36 36 ARG H H 1 8.709 0.02 . 1 . . . . . . . . 5921 1 421 . 1 1 36 36 ARG CA C 13 60.484 0.05 . 1 . . . . . . . . 5921 1 422 . 1 1 36 36 ARG HA H 1 3.954 0.02 . 1 . . . . . . . . 5921 1 423 . 1 1 36 36 ARG CB C 13 29.609 0.05 . 1 . . . . . . . . 5921 1 424 . 1 1 36 36 ARG HB2 H 1 1.912 0.02 . 1 . . . . . . . . 5921 1 425 . 1 1 36 36 ARG HB3 H 1 1.984 0.02 . 1 . . . . . . . . 5921 1 426 . 1 1 36 36 ARG CG C 13 27.595 0.05 . 1 . . . . . . . . 5921 1 427 . 1 1 36 36 ARG HG2 H 1 1.804 0.02 . 1 . . . . . . . . 5921 1 428 . 1 1 36 36 ARG HG3 H 1 1.557 0.02 . 1 . . . . . . . . 5921 1 429 . 1 1 36 36 ARG CD C 13 43.473 0.05 . 1 . . . . . . . . 5921 1 430 . 1 1 36 36 ARG HD2 H 1 3.129 0.02 . 1 . . . . . . . . 5921 1 431 . 1 1 36 36 ARG NE N 15 85.216 0.03 . 1 . . . . . . . . 5921 1 432 . 1 1 36 36 ARG HE H 1 7.750 0.02 . 1 . . . . . . . . 5921 1 433 . 1 1 36 36 ARG NH2 N 15 71.809 0.03 . 1 . . . . . . . . 5921 1 434 . 1 1 36 36 ARG HH21 H 1 6.885 0.02 . 1 . . . . . . . . 5921 1 435 . 1 1 36 36 ARG C C 13 179.424 0.05 . 1 . . . . . . . . 5921 1 436 . 1 1 37 37 ASN N N 15 117.558 0.03 . 1 . . . . . . . . 5921 1 437 . 1 1 37 37 ASN H H 1 7.975 0.02 . 1 . . . . . . . . 5921 1 438 . 1 1 37 37 ASN CA C 13 56.147 0.05 . 1 . . . . . . . . 5921 1 439 . 1 1 37 37 ASN HA H 1 4.473 0.02 . 1 . . . . . . . . 5921 1 440 . 1 1 37 37 ASN CB C 13 38.121 0.05 . 1 . . . . . . . . 5921 1 441 . 1 1 37 37 ASN HB2 H 1 2.973 0.02 . 1 . . . . . . . . 5921 1 442 . 1 1 37 37 ASN HB3 H 1 2.911 0.02 . 1 . . . . . . . . 5921 1 443 . 1 1 37 37 ASN ND2 N 15 113.198 0.03 . 1 . . . . . . . . 5921 1 444 . 1 1 37 37 ASN HD21 H 1 7.647 0.02 . 1 . . . . . . . . 5921 1 445 . 1 1 37 37 ASN HD22 H 1 6.986 0.02 . 1 . . . . . . . . 5921 1 446 . 1 1 37 37 ASN C C 13 177.509 0.05 . 1 . . . . . . . . 5921 1 447 . 1 1 38 38 PHE N N 15 121.195 0.03 . 1 . . . . . . . . 5921 1 448 . 1 1 38 38 PHE H H 1 8.130 0.02 . 1 . . . . . . . . 5921 1 449 . 1 1 38 38 PHE CA C 13 61.515 0.05 . 1 . . . . . . . . 5921 1 450 . 1 1 38 38 PHE HA H 1 4.342 0.02 . 1 . . . . . . . . 5921 1 451 . 1 1 38 38 PHE CB C 13 39.337 0.05 . 1 . . . . . . . . 5921 1 452 . 1 1 38 38 PHE HB2 H 1 3.433 0.02 . 1 . . . . . . . . 5921 1 453 . 1 1 38 38 PHE HB3 H 1 3.048 0.02 . 1 . . . . . . . . 5921 1 454 . 1 1 38 38 PHE HD1 H 1 7.168 0.02 . 1 . . . . . . . . 5921 1 455 . 1 1 38 38 PHE HE1 H 1 7.225 0.02 . 1 . . . . . . . . 5921 1 456 . 1 1 38 38 PHE CD1 C 13 130.545 0.05 . 1 . . . . . . . . 5921 1 457 . 1 1 38 38 PHE CE1 C 13 130.901 0.05 . 1 . . . . . . . . 5921 1 458 . 1 1 38 38 PHE C C 13 177.470 0.05 . 1 . . . . . . . . 5921 1 459 . 1 1 39 39 ILE N N 15 119.388 0.03 . 1 . . . . . . . . 5921 1 460 . 1 1 39 39 ILE H H 1 8.930 0.02 . 1 . . . . . . . . 5921 1 461 . 1 1 39 39 ILE CA C 13 65.664 0.05 . 1 . . . . . . . . 5921 1 462 . 1 1 39 39 ILE HA H 1 3.297 0.02 . 1 . . . . . . . . 5921 1 463 . 1 1 39 39 ILE CB C 13 37.648 0.05 . 1 . . . . . . . . 5921 1 464 . 1 1 39 39 ILE HB H 1 1.995 0.02 . 1 . . . . . . . . 5921 1 465 . 1 1 39 39 ILE HG21 H 1 0.820 0.02 . 1 . . . . . . . . 5921 1 466 . 1 1 39 39 ILE HG22 H 1 0.820 0.02 . 1 . . . . . . . . 5921 1 467 . 1 1 39 39 ILE HG23 H 1 0.820 0.02 . 1 . . . . . . . . 5921 1 468 . 1 1 39 39 ILE CG2 C 13 17.613 0.05 . 1 . . . . . . . . 5921 1 469 . 1 1 39 39 ILE CG1 C 13 31.334 0.05 . 1 . . . . . . . . 5921 1 470 . 1 1 39 39 ILE HG12 H 1 0.976 0.02 . 1 . . . . . . . . 5921 1 471 . 1 1 39 39 ILE HD11 H 1 0.819 0.02 . 1 . . . . . . . . 5921 1 472 . 1 1 39 39 ILE HD12 H 1 0.819 0.02 . 1 . . . . . . . . 5921 1 473 . 1 1 39 39 ILE HD13 H 1 0.819 0.02 . 1 . . . . . . . . 5921 1 474 . 1 1 39 39 ILE CD1 C 13 14.089 0.05 . 1 . . . . . . . . 5921 1 475 . 1 1 39 39 ILE C C 13 175.989 0.05 . 1 . . . . . . . . 5921 1 476 . 1 1 40 40 SER N N 15 110.330 0.03 . 1 . . . . . . . . 5921 1 477 . 1 1 40 40 SER H H 1 7.473 0.02 . 1 . . . . . . . . 5921 1 478 . 1 1 40 40 SER CA C 13 60.349 0.05 . 1 . . . . . . . . 5921 1 479 . 1 1 40 40 SER HA H 1 4.272 0.02 . 1 . . . . . . . . 5921 1 480 . 1 1 40 40 SER CB C 13 63.788 0.05 . 1 . . . . . . . . 5921 1 481 . 1 1 40 40 SER HB2 H 1 4.092 0.02 . 1 . . . . . . . . 5921 1 482 . 1 1 40 40 SER HB3 H 1 4.024 0.02 . 1 . . . . . . . . 5921 1 483 . 1 1 40 40 SER C C 13 174.686 0.05 . 1 . . . . . . . . 5921 1 484 . 1 1 41 41 THR N N 15 110.749 0.03 . 1 . . . . . . . . 5921 1 485 . 1 1 41 41 THR H H 1 7.476 0.02 . 1 . . . . . . . . 5921 1 486 . 1 1 41 41 THR CA C 13 62.578 0.05 . 1 . . . . . . . . 5921 1 487 . 1 1 41 41 THR HA H 1 4.455 0.02 . 1 . . . . . . . . 5921 1 488 . 1 1 41 41 THR CB C 13 70.709 0.05 . 1 . . . . . . . . 5921 1 489 . 1 1 41 41 THR HB H 1 4.205 0.02 . 1 . . . . . . . . 5921 1 490 . 1 1 41 41 THR HG21 H 1 1.257 0.02 . 1 . . . . . . . . 5921 1 491 . 1 1 41 41 THR HG22 H 1 1.257 0.02 . 1 . . . . . . . . 5921 1 492 . 1 1 41 41 THR HG23 H 1 1.257 0.02 . 1 . . . . . . . . 5921 1 493 . 1 1 41 41 THR CG2 C 13 21.276 0.05 . 1 . . . . . . . . 5921 1 494 . 1 1 41 41 THR C C 13 175.239 0.05 . 1 . . . . . . . . 5921 1 495 . 1 1 42 42 THR N N 15 117.634 0.03 . 1 . . . . . . . . 5921 1 496 . 1 1 42 42 THR H H 1 7.635 0.02 . 1 . . . . . . . . 5921 1 497 . 1 1 42 42 THR CA C 13 61.849 0.05 . 1 . . . . . . . . 5921 1 498 . 1 1 42 42 THR HA H 1 4.287 0.02 . 1 . . . . . . . . 5921 1 499 . 1 1 42 42 THR CB C 13 67.668 0.05 . 1 . . . . . . . . 5921 1 500 . 1 1 42 42 THR HB H 1 3.217 0.02 . 1 . . . . . . . . 5921 1 501 . 1 1 42 42 THR HG21 H 1 0.848 0.02 . 1 . . . . . . . . 5921 1 502 . 1 1 42 42 THR HG22 H 1 0.848 0.02 . 1 . . . . . . . . 5921 1 503 . 1 1 42 42 THR HG23 H 1 0.848 0.02 . 1 . . . . . . . . 5921 1 504 . 1 1 42 42 THR CG2 C 13 19.156 0.05 . 1 . . . . . . . . 5921 1 505 . 1 1 42 42 THR C C 13 173.838 0.05 . 1 . . . . . . . . 5921 1 506 . 1 1 43 43 SER N N 15 122.258 0.03 . 1 . . . . . . . . 5921 1 507 . 1 1 43 43 SER H H 1 8.773 0.02 . 1 . . . . . . . . 5921 1 508 . 1 1 43 43 SER CA C 13 58.447 0.05 . 1 . . . . . . . . 5921 1 509 . 1 1 43 43 SER HA H 1 4.552 0.02 . 1 . . . . . . . . 5921 1 510 . 1 1 43 43 SER CB C 13 63.677 0.05 . 1 . . . . . . . . 5921 1 511 . 1 1 43 43 SER HB2 H 1 4.055 0.02 . 1 . . . . . . . . 5921 1 512 . 1 1 43 43 SER HB3 H 1 3.984 0.02 . 1 . . . . . . . . 5921 1 513 . 1 1 43 43 SER C C 13 175.752 0.05 . 1 . . . . . . . . 5921 1 514 . 1 1 44 44 LYS N N 15 122.221 0.03 . 1 . . . . . . . . 5921 1 515 . 1 1 44 44 LYS H H 1 8.304 0.02 . 1 . . . . . . . . 5921 1 516 . 1 1 44 44 LYS CA C 13 54.438 0.05 . 1 . . . . . . . . 5921 1 517 . 1 1 44 44 LYS HA H 1 4.307 0.02 . 1 . . . . . . . . 5921 1 518 . 1 1 44 44 LYS CB C 13 31.565 0.05 . 1 . . . . . . . . 5921 1 519 . 1 1 44 44 LYS HB2 H 1 1.881 0.02 . 1 . . . . . . . . 5921 1 520 . 1 1 44 44 LYS HB3 H 1 1.737 0.02 . 1 . . . . . . . . 5921 1 521 . 1 1 44 44 LYS CG C 13 24.034 0.05 . 1 . . . . . . . . 5921 1 522 . 1 1 44 44 LYS HG2 H 1 1.357 0.02 . 1 . . . . . . . . 5921 1 523 . 1 1 44 44 LYS HD2 H 1 1.517 0.02 . 1 . . . . . . . . 5921 1 524 . 1 1 44 44 LYS HE2 H 1 2.891 0.02 . 1 . . . . . . . . 5921 1 525 . 1 1 44 44 LYS CE C 13 42.728 0.05 . 1 . . . . . . . . 5921 1 526 . 1 1 44 44 LYS C C 13 176.779 0.05 . 1 . . . . . . . . 5921 1 527 . 1 1 45 45 LYS N N 15 120.094 0.03 . 1 . . . . . . . . 5921 1 528 . 1 1 45 45 LYS H H 1 8.482 0.02 . 1 . . . . . . . . 5921 1 529 . 1 1 45 45 LYS CA C 13 57.165 0.05 . 1 . . . . . . . . 5921 1 530 . 1 1 45 45 LYS HA H 1 4.350 0.02 . 1 . . . . . . . . 5921 1 531 . 1 1 45 45 LYS CB C 13 33.509 0.05 . 1 . . . . . . . . 5921 1 532 . 1 1 45 45 LYS HB2 H 1 2.117 0.02 . 1 . . . . . . . . 5921 1 533 . 1 1 45 45 LYS HB3 H 1 1.977 0.02 . 1 . . . . . . . . 5921 1 534 . 1 1 45 45 LYS CG C 13 25.110 0.05 . 1 . . . . . . . . 5921 1 535 . 1 1 45 45 LYS HG2 H 1 1.668 0.02 . 1 . . . . . . . . 5921 1 536 . 1 1 45 45 LYS HG3 H 1 1.630 0.02 . 1 . . . . . . . . 5921 1 537 . 1 1 45 45 LYS CD C 13 29.005 0.05 . 1 . . . . . . . . 5921 1 538 . 1 1 45 45 LYS HD2 H 1 1.824 0.02 . 1 . . . . . . . . 5921 1 539 . 1 1 45 45 LYS CE C 13 42.089 0.05 . 1 . . . . . . . . 5921 1 540 . 1 1 45 45 LYS HE2 H 1 3.114 0.02 . 1 . . . . . . . . 5921 1 541 . 1 1 45 45 LYS C C 13 175.279 0.05 . 1 . . . . . . . . 5921 1 542 . 1 1 46 46 LYS N N 15 117.363 0.03 . 1 . . . . . . . . 5921 1 543 . 1 1 46 46 LYS H H 1 7.397 0.02 . 1 . . . . . . . . 5921 1 544 . 1 1 46 46 LYS CA C 13 55.143 0.05 . 1 . . . . . . . . 5921 1 545 . 1 1 46 46 LYS HA H 1 4.976 0.02 . 1 . . . . . . . . 5921 1 546 . 1 1 46 46 LYS CB C 13 35.037 0.05 . 1 . . . . . . . . 5921 1 547 . 1 1 46 46 LYS HB2 H 1 1.845 0.02 . 1 . . . . . . . . 5921 1 548 . 1 1 46 46 LYS HB3 H 1 1.615 0.02 . 1 . . . . . . . . 5921 1 549 . 1 1 46 46 LYS CG C 13 25.287 0.05 . 1 . . . . . . . . 5921 1 550 . 1 1 46 46 LYS HG2 H 1 1.316 0.02 . 1 . . . . . . . . 5921 1 551 . 1 1 46 46 LYS C C 13 173.778 0.05 . 1 . . . . . . . . 5921 1 552 . 1 1 47 47 ILE N N 15 125.902 0.03 . 1 . . . . . . . . 5921 1 553 . 1 1 47 47 ILE H H 1 9.022 0.02 . 1 . . . . . . . . 5921 1 554 . 1 1 47 47 ILE CA C 13 59.648 0.05 . 1 . . . . . . . . 5921 1 555 . 1 1 47 47 ILE HA H 1 4.852 0.02 . 1 . . . . . . . . 5921 1 556 . 1 1 47 47 ILE CB C 13 39.442 0.05 . 1 . . . . . . . . 5921 1 557 . 1 1 47 47 ILE HB H 1 2.179 0.02 . 1 . . . . . . . . 5921 1 558 . 1 1 47 47 ILE HG21 H 1 0.975 0.02 . 1 . . . . . . . . 5921 1 559 . 1 1 47 47 ILE HG22 H 1 0.975 0.02 . 1 . . . . . . . . 5921 1 560 . 1 1 47 47 ILE HG23 H 1 0.975 0.02 . 1 . . . . . . . . 5921 1 561 . 1 1 47 47 ILE CG2 C 13 17.558 0.05 . 1 . . . . . . . . 5921 1 562 . 1 1 47 47 ILE CG1 C 13 27.939 0.05 . 1 . . . . . . . . 5921 1 563 . 1 1 47 47 ILE HG12 H 1 1.554 0.02 . 1 . . . . . . . . 5921 1 564 . 1 1 47 47 ILE HG13 H 1 1.427 0.02 . 1 . . . . . . . . 5921 1 565 . 1 1 47 47 ILE HD11 H 1 0.910 0.02 . 1 . . . . . . . . 5921 1 566 . 1 1 47 47 ILE HD12 H 1 0.910 0.02 . 1 . . . . . . . . 5921 1 567 . 1 1 47 47 ILE HD13 H 1 0.910 0.02 . 1 . . . . . . . . 5921 1 568 . 1 1 47 47 ILE CD1 C 13 14.158 0.05 . 1 . . . . . . . . 5921 1 569 . 1 1 47 47 ILE C C 13 173.226 0.05 . 1 . . . . . . . . 5921 1 570 . 1 1 48 48 VAL N N 15 126.983 0.03 . 1 . . . . . . . . 5921 1 571 . 1 1 48 48 VAL H H 1 9.136 0.02 . 1 . . . . . . . . 5921 1 572 . 1 1 48 48 VAL CA C 13 60.136 0.05 . 1 . . . . . . . . 5921 1 573 . 1 1 48 48 VAL HA H 1 4.645 0.02 . 1 . . . . . . . . 5921 1 574 . 1 1 48 48 VAL CB C 13 33.665 0.05 . 1 . . . . . . . . 5921 1 575 . 1 1 48 48 VAL HB H 1 2.031 0.02 . 1 . . . . . . . . 5921 1 576 . 1 1 48 48 VAL HG11 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 577 . 1 1 48 48 VAL HG12 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 578 . 1 1 48 48 VAL HG13 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 579 . 1 1 48 48 VAL HG21 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 580 . 1 1 48 48 VAL HG22 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 581 . 1 1 48 48 VAL HG23 H 1 0.742 0.02 . 1 . . . . . . . . 5921 1 582 . 1 1 48 48 VAL CG1 C 13 21.486 0.05 . 1 . . . . . . . . 5921 1 583 . 1 1 48 48 VAL CG2 C 13 21.465 0.05 . 1 . . . . . . . . 5921 1 584 . 1 1 48 48 VAL C C 13 174.055 0.05 . 1 . . . . . . . . 5921 1 585 . 1 1 49 49 LEU N N 15 129.064 0.03 . 1 . . . . . . . . 5921 1 586 . 1 1 49 49 LEU H H 1 9.205 0.02 . 1 . . . . . . . . 5921 1 587 . 1 1 49 49 LEU CA C 13 53.214 0.05 . 1 . . . . . . . . 5921 1 588 . 1 1 49 49 LEU HA H 1 4.970 0.02 . 1 . . . . . . . . 5921 1 589 . 1 1 49 49 LEU CB C 13 42.336 0.05 . 1 . . . . . . . . 5921 1 590 . 1 1 49 49 LEU HB2 H 1 1.769 0.02 . 1 . . . . . . . . 5921 1 591 . 1 1 49 49 LEU HB3 H 1 1.264 0.02 . 1 . . . . . . . . 5921 1 592 . 1 1 49 49 LEU CG C 13 27.608 0.05 . 1 . . . . . . . . 5921 1 593 . 1 1 49 49 LEU HG H 1 1.447 0.02 . 1 . . . . . . . . 5921 1 594 . 1 1 49 49 LEU HD11 H 1 0.860 0.02 . 1 . . . . . . . . 5921 1 595 . 1 1 49 49 LEU HD12 H 1 0.860 0.02 . 1 . . . . . . . . 5921 1 596 . 1 1 49 49 LEU HD13 H 1 0.860 0.02 . 1 . . . . . . . . 5921 1 597 . 1 1 49 49 LEU HD21 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 598 . 1 1 49 49 LEU HD22 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 599 . 1 1 49 49 LEU HD23 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 600 . 1 1 49 49 LEU CD1 C 13 25.973 0.05 . 1 . . . . . . . . 5921 1 601 . 1 1 49 49 LEU CD2 C 13 24.373 0.05 . 1 . . . . . . . . 5921 1 602 . 1 1 49 49 LEU C C 13 174.114 0.05 . 1 . . . . . . . . 5921 1 603 . 1 1 50 50 ASP N N 15 125.657 0.03 . 1 . . . . . . . . 5921 1 604 . 1 1 50 50 ASP H H 1 8.861 0.02 . 1 . . . . . . . . 5921 1 605 . 1 1 50 50 ASP CA C 13 52.945 0.05 . 1 . . . . . . . . 5921 1 606 . 1 1 50 50 ASP HA H 1 4.560 0.02 . 1 . . . . . . . . 5921 1 607 . 1 1 50 50 ASP CB C 13 41.183 0.05 . 1 . . . . . . . . 5921 1 608 . 1 1 50 50 ASP HB2 H 1 2.893 0.02 . 1 . . . . . . . . 5921 1 609 . 1 1 50 50 ASP HB3 H 1 2.218 0.02 . 1 . . . . . . . . 5921 1 610 . 1 1 50 50 ASP C C 13 177.430 0.05 . 1 . . . . . . . . 5921 1 611 . 1 1 51 51 LEU N N 15 126.701 0.03 . 1 . . . . . . . . 5921 1 612 . 1 1 51 51 LEU H H 1 8.472 0.02 . 1 . . . . . . . . 5921 1 613 . 1 1 51 51 LEU CA C 13 54.067 0.05 . 1 . . . . . . . . 5921 1 614 . 1 1 51 51 LEU HA H 1 4.673 0.02 . 1 . . . . . . . . 5921 1 615 . 1 1 51 51 LEU CB C 13 40.368 0.05 . 1 . . . . . . . . 5921 1 616 . 1 1 51 51 LEU HB2 H 1 1.951 0.02 . 1 . . . . . . . . 5921 1 617 . 1 1 51 51 LEU HB3 H 1 1.639 0.02 . 1 . . . . . . . . 5921 1 618 . 1 1 51 51 LEU CG C 13 26.455 0.05 . 1 . . . . . . . . 5921 1 619 . 1 1 51 51 LEU HG H 1 1.698 0.02 . 1 . . . . . . . . 5921 1 620 . 1 1 51 51 LEU HD11 H 1 0.804 0.02 . 1 . . . . . . . . 5921 1 621 . 1 1 51 51 LEU HD12 H 1 0.804 0.02 . 1 . . . . . . . . 5921 1 622 . 1 1 51 51 LEU HD13 H 1 0.804 0.02 . 1 . . . . . . . . 5921 1 623 . 1 1 51 51 LEU HD21 H 1 0.798 0.02 . 1 . . . . . . . . 5921 1 624 . 1 1 51 51 LEU HD22 H 1 0.798 0.02 . 1 . . . . . . . . 5921 1 625 . 1 1 51 51 LEU HD23 H 1 0.798 0.02 . 1 . . . . . . . . 5921 1 626 . 1 1 51 51 LEU CD1 C 13 26.033 0.05 . 1 . . . . . . . . 5921 1 627 . 1 1 51 51 LEU CD2 C 13 23.693 0.05 . 1 . . . . . . . . 5921 1 628 . 1 1 51 51 LEU C C 13 178.102 0.05 . 1 . . . . . . . . 5921 1 629 . 1 1 52 52 SER N N 15 119.990 0.03 . 1 . . . . . . . . 5921 1 630 . 1 1 52 52 SER H H 1 8.938 0.02 . 1 . . . . . . . . 5921 1 631 . 1 1 52 52 SER CA C 13 62.983 0.05 . 1 . . . . . . . . 5921 1 632 . 1 1 52 52 SER HA H 1 4.433 0.02 . 1 . . . . . . . . 5921 1 633 . 1 1 52 52 SER CB C 13 63.232 0.05 . 1 . . . . . . . . 5921 1 634 . 1 1 52 52 SER HB2 H 1 4.204 0.02 . 1 . . . . . . . . 5921 1 635 . 1 1 52 52 SER HB3 H 1 3.971 0.02 . 1 . . . . . . . . 5921 1 636 . 1 1 52 52 SER C C 13 176.345 0.05 . 1 . . . . . . . . 5921 1 637 . 1 1 53 53 SER N N 15 114.639 0.03 . 1 . . . . . . . . 5921 1 638 . 1 1 53 53 SER H H 1 9.050 0.02 . 1 . . . . . . . . 5921 1 639 . 1 1 53 53 SER CA C 13 57.664 0.05 . 1 . . . . . . . . 5921 1 640 . 1 1 53 53 SER HA H 1 4.836 0.02 . 1 . . . . . . . . 5921 1 641 . 1 1 53 53 SER CB C 13 63.148 0.05 . 1 . . . . . . . . 5921 1 642 . 1 1 53 53 SER HB2 H 1 4.259 0.02 . 1 . . . . . . . . 5921 1 643 . 1 1 53 53 SER HB3 H 1 3.961 0.02 . 1 . . . . . . . . 5921 1 644 . 1 1 53 53 SER C C 13 174.410 0.05 . 1 . . . . . . . . 5921 1 645 . 1 1 54 54 VAL N N 15 123.995 0.03 . 1 . . . . . . . . 5921 1 646 . 1 1 54 54 VAL H H 1 7.799 0.02 . 1 . . . . . . . . 5921 1 647 . 1 1 54 54 VAL CA C 13 62.309 0.05 . 1 . . . . . . . . 5921 1 648 . 1 1 54 54 VAL HA H 1 4.364 0.02 . 1 . . . . . . . . 5921 1 649 . 1 1 54 54 VAL CB C 13 32.115 0.05 . 1 . . . . . . . . 5921 1 650 . 1 1 54 54 VAL HB H 1 2.258 0.02 . 1 . . . . . . . . 5921 1 651 . 1 1 54 54 VAL HG11 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 652 . 1 1 54 54 VAL HG12 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 653 . 1 1 54 54 VAL HG13 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 654 . 1 1 54 54 VAL HG21 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 655 . 1 1 54 54 VAL HG22 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 656 . 1 1 54 54 VAL HG23 H 1 1.068 0.02 . 1 . . . . . . . . 5921 1 657 . 1 1 54 54 VAL CG1 C 13 21.285 0.05 . 1 . . . . . . . . 5921 1 658 . 1 1 54 54 VAL CG2 C 13 21.298 0.05 . 1 . . . . . . . . 5921 1 659 . 1 1 54 54 VAL C C 13 175.298 0.05 . 1 . . . . . . . . 5921 1 660 . 1 1 55 55 SER N N 15 121.245 0.03 . 1 . . . . . . . . 5921 1 661 . 1 1 55 55 SER H H 1 8.787 0.02 . 1 . . . . . . . . 5921 1 662 . 1 1 55 55 SER CA C 13 58.961 0.05 . 1 . . . . . . . . 5921 1 663 . 1 1 55 55 SER HA H 1 4.633 0.02 . 1 . . . . . . . . 5921 1 664 . 1 1 55 55 SER CB C 13 64.335 0.05 . 1 . . . . . . . . 5921 1 665 . 1 1 55 55 SER HB2 H 1 4.079 0.02 . 1 . . . . . . . . 5921 1 666 . 1 1 55 55 SER HB3 H 1 3.882 0.02 . 1 . . . . . . . . 5921 1 667 . 1 1 55 55 SER C C 13 173.838 0.05 . 1 . . . . . . . . 5921 1 668 . 1 1 56 56 TYR N N 15 122.470 0.03 . 1 . . . . . . . . 5921 1 669 . 1 1 56 56 TYR H H 1 7.836 0.02 . 1 . . . . . . . . 5921 1 670 . 1 1 56 56 TYR CA C 13 57.884 0.05 . 1 . . . . . . . . 5921 1 671 . 1 1 56 56 TYR HA H 1 4.648 0.02 . 1 . . . . . . . . 5921 1 672 . 1 1 56 56 TYR CB C 13 41.364 0.05 . 1 . . . . . . . . 5921 1 673 . 1 1 56 56 TYR HB2 H 1 2.999 0.02 . 1 . . . . . . . . 5921 1 674 . 1 1 56 56 TYR HB3 H 1 2.702 0.02 . 1 . . . . . . . . 5921 1 675 . 1 1 56 56 TYR HD1 H 1 7.078 0.02 . 1 . . . . . . . . 5921 1 676 . 1 1 56 56 TYR HE1 H 1 6.909 0.02 . 1 . . . . . . . . 5921 1 677 . 1 1 56 56 TYR CD1 C 13 132.551 0.05 . 1 . . . . . . . . 5921 1 678 . 1 1 56 56 TYR CE1 C 13 118.087 0.05 . 1 . . . . . . . . 5921 1 679 . 1 1 56 56 TYR C C 13 172.022 0.05 . 1 . . . . . . . . 5921 1 680 . 1 1 57 57 MET N N 15 124.481 0.03 . 1 . . . . . . . . 5921 1 681 . 1 1 57 57 MET H H 1 6.944 0.02 . 1 . . . . . . . . 5921 1 682 . 1 1 57 57 MET CA C 13 54.017 0.05 . 1 . . . . . . . . 5921 1 683 . 1 1 57 57 MET HA H 1 4.983 0.02 . 1 . . . . . . . . 5921 1 684 . 1 1 57 57 MET CB C 13 37.820 0.05 . 1 . . . . . . . . 5921 1 685 . 1 1 57 57 MET HB2 H 1 1.823 0.02 . 1 . . . . . . . . 5921 1 686 . 1 1 57 57 MET HB3 H 1 1.719 0.02 . 1 . . . . . . . . 5921 1 687 . 1 1 57 57 MET CG C 13 31.261 0.05 . 1 . . . . . . . . 5921 1 688 . 1 1 57 57 MET HG2 H 1 2.596 0.02 . 1 . . . . . . . . 5921 1 689 . 1 1 57 57 MET HG3 H 1 2.436 0.02 . 1 . . . . . . . . 5921 1 690 . 1 1 57 57 MET HE1 H 1 1.828 0.02 . 1 . . . . . . . . 5921 1 691 . 1 1 57 57 MET HE2 H 1 1.828 0.02 . 1 . . . . . . . . 5921 1 692 . 1 1 57 57 MET HE3 H 1 1.828 0.02 . 1 . . . . . . . . 5921 1 693 . 1 1 57 57 MET CE C 13 16.638 0.05 . 1 . . . . . . . . 5921 1 694 . 1 1 57 57 MET C C 13 173.344 0.05 . 1 . . . . . . . . 5921 1 695 . 1 1 58 58 ASP N N 15 121.928 0.03 . 1 . . . . . . . . 5921 1 696 . 1 1 58 58 ASP H H 1 7.509 0.02 . 1 . . . . . . . . 5921 1 697 . 1 1 58 58 ASP CA C 13 51.450 0.05 . 1 . . . . . . . . 5921 1 698 . 1 1 58 58 ASP HA H 1 4.781 0.02 . 1 . . . . . . . . 5921 1 699 . 1 1 58 58 ASP CB C 13 42.618 0.05 . 1 . . . . . . . . 5921 1 700 . 1 1 58 58 ASP HB2 H 1 3.430 0.02 . 1 . . . . . . . . 5921 1 701 . 1 1 58 58 ASP HB3 H 1 2.826 0.02 . 1 . . . . . . . . 5921 1 702 . 1 1 58 58 ASP C C 13 176.700 0.05 . 1 . . . . . . . . 5921 1 703 . 1 1 59 59 SER N N 15 113.049 0.03 . 1 . . . . . . . . 5921 1 704 . 1 1 59 59 SER H H 1 8.486 0.02 . 1 . . . . . . . . 5921 1 705 . 1 1 59 59 SER CA C 13 62.019 0.05 . 1 . . . . . . . . 5921 1 706 . 1 1 59 59 SER HA H 1 4.011 0.02 . 1 . . . . . . . . 5921 1 707 . 1 1 59 59 SER CB C 13 62.034 0.05 . 1 . . . . . . . . 5921 1 708 . 1 1 59 59 SER HB2 H 1 4.252 0.02 . 1 . . . . . . . . 5921 1 709 . 1 1 59 59 SER C C 13 176.601 0.05 . 1 . . . . . . . . 5921 1 710 . 1 1 60 60 ALA N N 15 126.648 0.03 . 1 . . . . . . . . 5921 1 711 . 1 1 60 60 ALA H H 1 7.937 0.02 . 1 . . . . . . . . 5921 1 712 . 1 1 60 60 ALA CA C 13 54.707 0.05 . 1 . . . . . . . . 5921 1 713 . 1 1 60 60 ALA HA H 1 4.236 0.02 . 1 . . . . . . . . 5921 1 714 . 1 1 60 60 ALA HB1 H 1 1.500 0.02 . 1 . . . . . . . . 5921 1 715 . 1 1 60 60 ALA HB2 H 1 1.500 0.02 . 1 . . . . . . . . 5921 1 716 . 1 1 60 60 ALA HB3 H 1 1.500 0.02 . 1 . . . . . . . . 5921 1 717 . 1 1 60 60 ALA CB C 13 17.533 0.05 . 1 . . . . . . . . 5921 1 718 . 1 1 60 60 ALA C C 13 181.438 0.05 . 1 . . . . . . . . 5921 1 719 . 1 1 61 61 GLY N N 15 110.784 0.03 . 1 . . . . . . . . 5921 1 720 . 1 1 61 61 GLY H H 1 8.905 0.02 . 1 . . . . . . . . 5921 1 721 . 1 1 61 61 GLY CA C 13 47.479 0.05 . 1 . . . . . . . . 5921 1 722 . 1 1 61 61 GLY HA2 H 1 3.608 0.02 . 1 . . . . . . . . 5921 1 723 . 1 1 61 61 GLY HA3 H 1 3.704 0.02 . 1 . . . . . . . . 5921 1 724 . 1 1 61 61 GLY C C 13 175.002 0.05 . 1 . . . . . . . . 5921 1 725 . 1 1 62 62 LEU N N 15 121.920 0.03 . 1 . . . . . . . . 5921 1 726 . 1 1 62 62 LEU H H 1 8.315 0.02 . 1 . . . . . . . . 5921 1 727 . 1 1 62 62 LEU CA C 13 58.058 0.05 . 1 . . . . . . . . 5921 1 728 . 1 1 62 62 LEU HA H 1 4.074 0.02 . 1 . . . . . . . . 5921 1 729 . 1 1 62 62 LEU CB C 13 41.813 0.05 . 1 . . . . . . . . 5921 1 730 . 1 1 62 62 LEU HB2 H 1 1.739 0.02 . 1 . . . . . . . . 5921 1 731 . 1 1 62 62 LEU HB3 H 1 1.624 0.02 . 1 . . . . . . . . 5921 1 732 . 1 1 62 62 LEU CG C 13 26.557 0.05 . 1 . . . . . . . . 5921 1 733 . 1 1 62 62 LEU HG H 1 1.654 0.02 . 1 . . . . . . . . 5921 1 734 . 1 1 62 62 LEU HD11 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 735 . 1 1 62 62 LEU HD12 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 736 . 1 1 62 62 LEU HD13 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 737 . 1 1 62 62 LEU HD21 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 738 . 1 1 62 62 LEU HD22 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 739 . 1 1 62 62 LEU HD23 H 1 0.854 0.02 . 1 . . . . . . . . 5921 1 740 . 1 1 62 62 LEU CD1 C 13 23.555 0.05 . 1 . . . . . . . . 5921 1 741 . 1 1 62 62 LEU CD2 C 13 24.851 0.05 . 1 . . . . . . . . 5921 1 742 . 1 1 62 62 LEU C C 13 179.049 0.05 . 1 . . . . . . . . 5921 1 743 . 1 1 63 63 GLY N N 15 104.163 0.03 . 1 . . . . . . . . 5921 1 744 . 1 1 63 63 GLY H H 1 8.236 0.02 . 1 . . . . . . . . 5921 1 745 . 1 1 63 63 GLY CA C 13 46.981 0.05 . 1 . . . . . . . . 5921 1 746 . 1 1 63 63 GLY HA2 H 1 4.104 0.02 . 1 . . . . . . . . 5921 1 747 . 1 1 63 63 GLY HA3 H 1 3.777 0.02 . 1 . . . . . . . . 5921 1 748 . 1 1 63 63 GLY C C 13 176.759 0.05 . 1 . . . . . . . . 5921 1 749 . 1 1 64 64 THR N N 15 119.156 0.03 . 1 . . . . . . . . 5921 1 750 . 1 1 64 64 THR H H 1 7.976 0.02 . 1 . . . . . . . . 5921 1 751 . 1 1 64 64 THR CA C 13 67.516 0.05 . 1 . . . . . . . . 5921 1 752 . 1 1 64 64 THR HA H 1 3.961 0.02 . 1 . . . . . . . . 5921 1 753 . 1 1 64 64 THR CB C 13 67.882 0.05 . 1 . . . . . . . . 5921 1 754 . 1 1 64 64 THR HB H 1 4.575 0.02 . 1 . . . . . . . . 5921 1 755 . 1 1 64 64 THR HG21 H 1 1.245 0.02 . 1 . . . . . . . . 5921 1 756 . 1 1 64 64 THR HG22 H 1 1.245 0.02 . 1 . . . . . . . . 5921 1 757 . 1 1 64 64 THR HG23 H 1 1.245 0.02 . 1 . . . . . . . . 5921 1 758 . 1 1 64 64 THR CG2 C 13 21.607 0.05 . 1 . . . . . . . . 5921 1 759 . 1 1 64 64 THR C C 13 175.496 0.05 . 1 . . . . . . . . 5921 1 760 . 1 1 65 65 LEU N N 15 120.645 0.03 . 1 . . . . . . . . 5921 1 761 . 1 1 65 65 LEU H H 1 7.922 0.02 . 1 . . . . . . . . 5921 1 762 . 1 1 65 65 LEU CA C 13 58.463 0.05 . 1 . . . . . . . . 5921 1 763 . 1 1 65 65 LEU HA H 1 4.065 0.02 . 1 . . . . . . . . 5921 1 764 . 1 1 65 65 LEU CB C 13 41.378 0.05 . 1 . . . . . . . . 5921 1 765 . 1 1 65 65 LEU HB2 H 1 2.293 0.02 . 1 . . . . . . . . 5921 1 766 . 1 1 65 65 LEU HB3 H 1 1.606 0.02 . 1 . . . . . . . . 5921 1 767 . 1 1 65 65 LEU CG C 13 26.281 0.05 . 1 . . . . . . . . 5921 1 768 . 1 1 65 65 LEU HG H 1 2.030 0.02 . 1 . . . . . . . . 5921 1 769 . 1 1 65 65 LEU HD11 H 1 0.737 0.02 . 1 . . . . . . . . 5921 1 770 . 1 1 65 65 LEU HD12 H 1 0.737 0.02 . 1 . . . . . . . . 5921 1 771 . 1 1 65 65 LEU HD13 H 1 0.737 0.02 . 1 . . . . . . . . 5921 1 772 . 1 1 65 65 LEU HD21 H 1 0.745 0.02 . 1 . . . . . . . . 5921 1 773 . 1 1 65 65 LEU HD22 H 1 0.745 0.02 . 1 . . . . . . . . 5921 1 774 . 1 1 65 65 LEU HD23 H 1 0.745 0.02 . 1 . . . . . . . . 5921 1 775 . 1 1 65 65 LEU CD1 C 13 25.033 0.05 . 1 . . . . . . . . 5921 1 776 . 1 1 65 65 LEU CD2 C 13 22.427 0.05 . 1 . . . . . . . . 5921 1 777 . 1 1 65 65 LEU C C 13 178.477 0.05 . 1 . . . . . . . . 5921 1 778 . 1 1 66 66 VAL N N 15 117.791 0.03 . 1 . . . . . . . . 5921 1 779 . 1 1 66 66 VAL H H 1 7.831 0.02 . 1 . . . . . . . . 5921 1 780 . 1 1 66 66 VAL CA C 13 66.769 0.05 . 1 . . . . . . . . 5921 1 781 . 1 1 66 66 VAL HA H 1 3.743 0.02 . 1 . . . . . . . . 5921 1 782 . 1 1 66 66 VAL CB C 13 31.542 0.05 . 1 . . . . . . . . 5921 1 783 . 1 1 66 66 VAL HB H 1 2.425 0.02 . 1 . . . . . . . . 5921 1 784 . 1 1 66 66 VAL HG11 H 1 1.259 0.02 . 1 . . . . . . . . 5921 1 785 . 1 1 66 66 VAL HG12 H 1 1.259 0.02 . 1 . . . . . . . . 5921 1 786 . 1 1 66 66 VAL HG13 H 1 1.259 0.02 . 1 . . . . . . . . 5921 1 787 . 1 1 66 66 VAL HG21 H 1 1.002 0.02 . 1 . . . . . . . . 5921 1 788 . 1 1 66 66 VAL HG22 H 1 1.002 0.02 . 1 . . . . . . . . 5921 1 789 . 1 1 66 66 VAL HG23 H 1 1.002 0.02 . 1 . . . . . . . . 5921 1 790 . 1 1 66 66 VAL CG1 C 13 23.081 0.05 . 1 . . . . . . . . 5921 1 791 . 1 1 66 66 VAL CG2 C 13 21.705 0.05 . 1 . . . . . . . . 5921 1 792 . 1 1 66 66 VAL C C 13 177.786 0.05 . 1 . . . . . . . . 5921 1 793 . 1 1 67 67 VAL N N 15 119.369 0.03 . 1 . . . . . . . . 5921 1 794 . 1 1 67 67 VAL H H 1 7.668 0.02 . 1 . . . . . . . . 5921 1 795 . 1 1 67 67 VAL CA C 13 66.524 0.05 . 1 . . . . . . . . 5921 1 796 . 1 1 67 67 VAL HA H 1 3.732 0.02 . 1 . . . . . . . . 5921 1 797 . 1 1 67 67 VAL CB C 13 31.375 0.05 . 1 . . . . . . . . 5921 1 798 . 1 1 67 67 VAL HB H 1 2.348 0.02 . 1 . . . . . . . . 5921 1 799 . 1 1 67 67 VAL HG11 H 1 1.158 0.02 . 1 . . . . . . . . 5921 1 800 . 1 1 67 67 VAL HG12 H 1 1.158 0.02 . 1 . . . . . . . . 5921 1 801 . 1 1 67 67 VAL HG13 H 1 1.158 0.02 . 1 . . . . . . . . 5921 1 802 . 1 1 67 67 VAL HG21 H 1 1.016 0.02 . 1 . . . . . . . . 5921 1 803 . 1 1 67 67 VAL HG22 H 1 1.016 0.02 . 1 . . . . . . . . 5921 1 804 . 1 1 67 67 VAL HG23 H 1 1.016 0.02 . 1 . . . . . . . . 5921 1 805 . 1 1 67 67 VAL CG1 C 13 22.664 0.05 . 1 . . . . . . . . 5921 1 806 . 1 1 67 67 VAL CG2 C 13 21.430 0.05 . 1 . . . . . . . . 5921 1 807 . 1 1 67 67 VAL C C 13 178.141 0.05 . 1 . . . . . . . . 5921 1 808 . 1 1 68 68 ILE N N 15 120.858 0.03 . 1 . . . . . . . . 5921 1 809 . 1 1 68 68 ILE H H 1 8.184 0.02 . 1 . . . . . . . . 5921 1 810 . 1 1 68 68 ILE CA C 13 63.110 0.05 . 1 . . . . . . . . 5921 1 811 . 1 1 68 68 ILE HA H 1 3.753 0.02 . 1 . . . . . . . . 5921 1 812 . 1 1 68 68 ILE CB C 13 35.943 0.05 . 1 . . . . . . . . 5921 1 813 . 1 1 68 68 ILE HB H 1 1.842 0.02 . 1 . . . . . . . . 5921 1 814 . 1 1 68 68 ILE HG21 H 1 0.407 0.02 . 1 . . . . . . . . 5921 1 815 . 1 1 68 68 ILE HG22 H 1 0.407 0.02 . 1 . . . . . . . . 5921 1 816 . 1 1 68 68 ILE HG23 H 1 0.407 0.02 . 1 . . . . . . . . 5921 1 817 . 1 1 68 68 ILE CG2 C 13 18.225 0.05 . 1 . . . . . . . . 5921 1 818 . 1 1 68 68 ILE CG1 C 13 27.582 0.05 . 1 . . . . . . . . 5921 1 819 . 1 1 68 68 ILE HG12 H 1 1.563 0.02 . 1 . . . . . . . . 5921 1 820 . 1 1 68 68 ILE HG13 H 1 1.479 0.02 . 1 . . . . . . . . 5921 1 821 . 1 1 68 68 ILE HD11 H 1 0.815 0.02 . 1 . . . . . . . . 5921 1 822 . 1 1 68 68 ILE HD12 H 1 0.815 0.02 . 1 . . . . . . . . 5921 1 823 . 1 1 68 68 ILE HD13 H 1 0.815 0.02 . 1 . . . . . . . . 5921 1 824 . 1 1 68 68 ILE CD1 C 13 12.161 0.05 . 1 . . . . . . . . 5921 1 825 . 1 1 68 68 ILE C C 13 176.976 0.05 . 1 . . . . . . . . 5921 1 826 . 1 1 69 69 LEU N N 15 121.973 0.03 . 1 . . . . . . . . 5921 1 827 . 1 1 69 69 LEU H H 1 8.001 0.02 . 1 . . . . . . . . 5921 1 828 . 1 1 69 69 LEU CA C 13 58.459 0.05 . 1 . . . . . . . . 5921 1 829 . 1 1 69 69 LEU HA H 1 3.724 0.02 . 1 . . . . . . . . 5921 1 830 . 1 1 69 69 LEU CB C 13 41.282 0.05 . 1 . . . . . . . . 5921 1 831 . 1 1 69 69 LEU HB2 H 1 2.247 0.02 . 1 . . . . . . . . 5921 1 832 . 1 1 69 69 LEU HB3 H 1 1.781 0.02 . 1 . . . . . . . . 5921 1 833 . 1 1 69 69 LEU CG C 13 26.713 0.05 . 1 . . . . . . . . 5921 1 834 . 1 1 69 69 LEU HG H 1 1.574 0.02 . 1 . . . . . . . . 5921 1 835 . 1 1 69 69 LEU HD11 H 1 1.263 0.02 . 1 . . . . . . . . 5921 1 836 . 1 1 69 69 LEU HD12 H 1 1.263 0.02 . 1 . . . . . . . . 5921 1 837 . 1 1 69 69 LEU HD13 H 1 1.263 0.02 . 1 . . . . . . . . 5921 1 838 . 1 1 69 69 LEU HD21 H 1 0.648 0.02 . 1 . . . . . . . . 5921 1 839 . 1 1 69 69 LEU HD22 H 1 0.648 0.02 . 1 . . . . . . . . 5921 1 840 . 1 1 69 69 LEU HD23 H 1 0.648 0.02 . 1 . . . . . . . . 5921 1 841 . 1 1 69 69 LEU CD1 C 13 24.147 0.05 . 1 . . . . . . . . 5921 1 842 . 1 1 69 69 LEU CD2 C 13 25.138 0.05 . 1 . . . . . . . . 5921 1 843 . 1 1 69 69 LEU C C 13 178.220 0.05 . 1 . . . . . . . . 5921 1 844 . 1 1 70 70 LYS N N 15 118.204 0.03 . 1 . . . . . . . . 5921 1 845 . 1 1 70 70 LYS H H 1 7.573 0.02 . 1 . . . . . . . . 5921 1 846 . 1 1 70 70 LYS CA C 13 59.685 0.05 . 1 . . . . . . . . 5921 1 847 . 1 1 70 70 LYS HA H 1 3.952 0.02 . 1 . . . . . . . . 5921 1 848 . 1 1 70 70 LYS CB C 13 30.670 0.05 . 1 . . . . . . . . 5921 1 849 . 1 1 70 70 LYS HB2 H 1 2.130 0.02 . 1 . . . . . . . . 5921 1 850 . 1 1 70 70 LYS HB3 H 1 1.962 0.02 . 1 . . . . . . . . 5921 1 851 . 1 1 70 70 LYS CG C 13 24.848 0.05 . 1 . . . . . . . . 5921 1 852 . 1 1 70 70 LYS HG2 H 1 1.625 0.02 . 1 . . . . . . . . 5921 1 853 . 1 1 70 70 LYS HG3 H 1 1.515 0.02 . 1 . . . . . . . . 5921 1 854 . 1 1 70 70 LYS CD C 13 29.001 0.05 . 1 . . . . . . . . 5921 1 855 . 1 1 70 70 LYS HD2 H 1 1.707 0.02 . 1 . . . . . . . . 5921 1 856 . 1 1 70 70 LYS HE2 H 1 3.011 0.02 . 1 . . . . . . . . 5921 1 857 . 1 1 70 70 LYS C C 13 178.437 0.05 . 1 . . . . . . . . 5921 1 858 . 1 1 71 71 ASP N N 15 119.684 0.03 . 1 . . . . . . . . 5921 1 859 . 1 1 71 71 ASP H H 1 8.150 0.02 . 1 . . . . . . . . 5921 1 860 . 1 1 71 71 ASP CA C 13 57.017 0.05 . 1 . . . . . . . . 5921 1 861 . 1 1 71 71 ASP HA H 1 4.462 0.02 . 1 . . . . . . . . 5921 1 862 . 1 1 71 71 ASP CB C 13 39.835 0.05 . 1 . . . . . . . . 5921 1 863 . 1 1 71 71 ASP HB2 H 1 2.817 0.02 . 1 . . . . . . . . 5921 1 864 . 1 1 71 71 ASP HB3 H 1 2.643 0.02 . 1 . . . . . . . . 5921 1 865 . 1 1 71 71 ASP C C 13 178.990 0.05 . 1 . . . . . . . . 5921 1 866 . 1 1 72 72 ALA N N 15 123.421 0.03 . 1 . . . . . . . . 5921 1 867 . 1 1 72 72 ALA H H 1 8.969 0.02 . 1 . . . . . . . . 5921 1 868 . 1 1 72 72 ALA CA C 13 55.870 0.05 . 1 . . . . . . . . 5921 1 869 . 1 1 72 72 ALA HA H 1 3.898 0.02 . 1 . . . . . . . . 5921 1 870 . 1 1 72 72 ALA HB1 H 1 1.474 0.02 . 1 . . . . . . . . 5921 1 871 . 1 1 72 72 ALA HB2 H 1 1.474 0.02 . 1 . . . . . . . . 5921 1 872 . 1 1 72 72 ALA HB3 H 1 1.474 0.02 . 1 . . . . . . . . 5921 1 873 . 1 1 72 72 ALA CB C 13 17.313 0.05 . 1 . . . . . . . . 5921 1 874 . 1 1 72 72 ALA C C 13 177.213 0.05 . 1 . . . . . . . . 5921 1 875 . 1 1 73 73 LYS N N 15 118.640 0.03 . 1 . . . . . . . . 5921 1 876 . 1 1 73 73 LYS H H 1 8.364 0.02 . 1 . . . . . . . . 5921 1 877 . 1 1 73 73 LYS CA C 13 59.541 0.05 . 1 . . . . . . . . 5921 1 878 . 1 1 73 73 LYS HA H 1 4.273 0.02 . 1 . . . . . . . . 5921 1 879 . 1 1 73 73 LYS CB C 13 31.953 0.05 . 1 . . . . . . . . 5921 1 880 . 1 1 73 73 LYS HB2 H 1 2.137 0.02 . 1 . . . . . . . . 5921 1 881 . 1 1 73 73 LYS HB3 H 1 2.042 0.02 . 1 . . . . . . . . 5921 1 882 . 1 1 73 73 LYS CG C 13 24.964 0.05 . 1 . . . . . . . . 5921 1 883 . 1 1 73 73 LYS HG2 H 1 1.658 0.02 . 1 . . . . . . . . 5921 1 884 . 1 1 73 73 LYS CD C 13 29.018 0.05 . 1 . . . . . . . . 5921 1 885 . 1 1 73 73 LYS HD2 H 1 1.815 0.02 . 1 . . . . . . . . 5921 1 886 . 1 1 73 73 LYS CE C 13 42.081 0.05 . 1 . . . . . . . . 5921 1 887 . 1 1 73 73 LYS HE2 H 1 3.111 0.02 . 1 . . . . . . . . 5921 1 888 . 1 1 73 73 LYS C C 13 174.963 0.05 . 1 . . . . . . . . 5921 1 889 . 1 1 74 74 ILE N N 15 120.095 0.03 . 1 . . . . . . . . 5921 1 890 . 1 1 74 74 ILE H H 1 8.390 0.02 . 1 . . . . . . . . 5921 1 891 . 1 1 74 74 ILE CA C 13 64.160 0.05 . 1 . . . . . . . . 5921 1 892 . 1 1 74 74 ILE HA H 1 4.045 0.02 . 1 . . . . . . . . 5921 1 893 . 1 1 74 74 ILE CB C 13 37.652 0.05 . 1 . . . . . . . . 5921 1 894 . 1 1 74 74 ILE HB H 1 2.096 0.02 . 1 . . . . . . . . 5921 1 895 . 1 1 74 74 ILE HG21 H 1 1.031 0.02 . 1 . . . . . . . . 5921 1 896 . 1 1 74 74 ILE HG22 H 1 1.031 0.02 . 1 . . . . . . . . 5921 1 897 . 1 1 74 74 ILE HG23 H 1 1.031 0.02 . 1 . . . . . . . . 5921 1 898 . 1 1 74 74 ILE CG2 C 13 17.170 0.05 . 1 . . . . . . . . 5921 1 899 . 1 1 74 74 ILE CG1 C 13 28.757 0.05 . 1 . . . . . . . . 5921 1 900 . 1 1 74 74 ILE HG12 H 1 1.708 0.02 . 1 . . . . . . . . 5921 1 901 . 1 1 74 74 ILE HG13 H 1 1.451 0.02 . 1 . . . . . . . . 5921 1 902 . 1 1 74 74 ILE HD11 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 903 . 1 1 74 74 ILE HD12 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 904 . 1 1 74 74 ILE HD13 H 1 0.945 0.02 . 1 . . . . . . . . 5921 1 905 . 1 1 74 74 ILE CD1 C 13 13.392 0.05 . 1 . . . . . . . . 5921 1 906 . 1 1 74 74 ILE C C 13 176.996 0.05 . 1 . . . . . . . . 5921 1 907 . 1 1 75 75 ASN N N 15 116.863 0.03 . 1 . . . . . . . . 5921 1 908 . 1 1 75 75 ASN H H 1 7.421 0.02 . 1 . . . . . . . . 5921 1 909 . 1 1 75 75 ASN CA C 13 53.917 0.05 . 1 . . . . . . . . 5921 1 910 . 1 1 75 75 ASN HA H 1 4.843 0.02 . 1 . . . . . . . . 5921 1 911 . 1 1 75 75 ASN CB C 13 40.193 0.05 . 1 . . . . . . . . 5921 1 912 . 1 1 75 75 ASN HB2 H 1 2.938 0.02 . 1 . . . . . . . . 5921 1 913 . 1 1 75 75 ASN HB3 H 1 2.551 0.02 . 1 . . . . . . . . 5921 1 914 . 1 1 75 75 ASN ND2 N 15 115.539 0.03 . 1 . . . . . . . . 5921 1 915 . 1 1 75 75 ASN HD21 H 1 7.178 0.02 . 1 . . . . . . . . 5921 1 916 . 1 1 75 75 ASN HD22 H 1 7.776 0.02 . 1 . . . . . . . . 5921 1 917 . 1 1 75 75 ASN C C 13 174.459 0.05 . 1 . . . . . . . . 5921 1 918 . 1 1 76 76 GLY N N 15 108.089 0.03 . 1 . . . . . . . . 5921 1 919 . 1 1 76 76 GLY H H 1 7.996 0.02 . 1 . . . . . . . . 5921 1 920 . 1 1 76 76 GLY CA C 13 46.809 0.05 . 1 . . . . . . . . 5921 1 921 . 1 1 76 76 GLY HA2 H 1 4.099 0.02 . 1 . . . . . . . . 5921 1 922 . 1 1 76 76 GLY HA3 H 1 3.994 0.02 . 1 . . . . . . . . 5921 1 923 . 1 1 76 76 GLY C C 13 174.647 0.05 . 1 . . . . . . . . 5921 1 924 . 1 1 77 77 LYS N N 15 117.725 0.03 . 1 . . . . . . . . 5921 1 925 . 1 1 77 77 LYS H H 1 8.383 0.02 . 1 . . . . . . . . 5921 1 926 . 1 1 77 77 LYS CA C 13 53.299 0.05 . 1 . . . . . . . . 5921 1 927 . 1 1 77 77 LYS HA H 1 4.978 0.02 . 1 . . . . . . . . 5921 1 928 . 1 1 77 77 LYS CB C 13 34.333 0.05 . 1 . . . . . . . . 5921 1 929 . 1 1 77 77 LYS HB2 H 1 1.789 0.02 . 1 . . . . . . . . 5921 1 930 . 1 1 77 77 LYS HB3 H 1 1.628 0.02 . 1 . . . . . . . . 5921 1 931 . 1 1 77 77 LYS CG C 13 25.444 0.05 . 1 . . . . . . . . 5921 1 932 . 1 1 77 77 LYS HG2 H 1 1.446 0.02 . 1 . . . . . . . . 5921 1 933 . 1 1 77 77 LYS HG3 H 1 1.323 0.02 . 1 . . . . . . . . 5921 1 934 . 1 1 77 77 LYS CD C 13 27.597 0.05 . 1 . . . . . . . . 5921 1 935 . 1 1 77 77 LYS HD2 H 1 1.451 0.02 . 1 . . . . . . . . 5921 1 936 . 1 1 77 77 LYS CE C 13 43.343 0.05 . 1 . . . . . . . . 5921 1 937 . 1 1 77 77 LYS HE2 H 1 3.125 0.02 . 1 . . . . . . . . 5921 1 938 . 1 1 77 77 LYS C C 13 176.068 0.05 . 1 . . . . . . . . 5921 1 939 . 1 1 78 78 GLU N N 15 121.528 0.03 . 1 . . . . . . . . 5921 1 940 . 1 1 78 78 GLU H H 1 8.625 0.02 . 1 . . . . . . . . 5921 1 941 . 1 1 78 78 GLU CA C 13 55.406 0.05 . 1 . . . . . . . . 5921 1 942 . 1 1 78 78 GLU HA H 1 4.611 0.02 . 1 . . . . . . . . 5921 1 943 . 1 1 78 78 GLU CB C 13 31.562 0.05 . 1 . . . . . . . . 5921 1 944 . 1 1 78 78 GLU HB2 H 1 2.130 0.02 . 1 . . . . . . . . 5921 1 945 . 1 1 78 78 GLU HB3 H 1 1.933 0.02 . 1 . . . . . . . . 5921 1 946 . 1 1 78 78 GLU CG C 13 35.895 0.05 . 1 . . . . . . . . 5921 1 947 . 1 1 78 78 GLU HG2 H 1 2.378 0.02 . 1 . . . . . . . . 5921 1 948 . 1 1 78 78 GLU HG3 H 1 2.281 0.02 . 1 . . . . . . . . 5921 1 949 . 1 1 78 78 GLU C C 13 174.292 0.05 . 1 . . . . . . . . 5921 1 950 . 1 1 79 79 PHE N N 15 126.907 0.03 . 1 . . . . . . . . 5921 1 951 . 1 1 79 79 PHE H H 1 8.552 0.02 . 1 . . . . . . . . 5921 1 952 . 1 1 79 79 PHE CA C 13 56.490 0.05 . 1 . . . . . . . . 5921 1 953 . 1 1 79 79 PHE HA H 1 5.705 0.02 . 1 . . . . . . . . 5921 1 954 . 1 1 79 79 PHE CB C 13 42.038 0.05 . 1 . . . . . . . . 5921 1 955 . 1 1 79 79 PHE HB2 H 1 3.268 0.02 . 1 . . . . . . . . 5921 1 956 . 1 1 79 79 PHE HB3 H 1 2.699 0.02 . 1 . . . . . . . . 5921 1 957 . 1 1 79 79 PHE HD1 H 1 7.080 0.02 . 1 . . . . . . . . 5921 1 958 . 1 1 79 79 PHE HE1 H 1 7.276 0.02 . 1 . . . . . . . . 5921 1 959 . 1 1 79 79 PHE CD1 C 13 132.681 0.05 . 1 . . . . . . . . 5921 1 960 . 1 1 79 79 PHE CE1 C 13 130.901 0.05 . 1 . . . . . . . . 5921 1 961 . 1 1 79 79 PHE CZ C 13 130.259 0.05 . 1 . . . . . . . . 5921 1 962 . 1 1 79 79 PHE HZ H 1 7.535 0.02 . 1 . . . . . . . . 5921 1 963 . 1 1 79 79 PHE C C 13 173.857 0.05 . 1 . . . . . . . . 5921 1 964 . 1 1 80 80 ILE N N 15 130.116 0.03 . 1 . . . . . . . . 5921 1 965 . 1 1 80 80 ILE H H 1 8.742 0.02 . 1 . . . . . . . . 5921 1 966 . 1 1 80 80 ILE CA C 13 60.185 0.05 . 1 . . . . . . . . 5921 1 967 . 1 1 80 80 ILE HA H 1 4.541 0.02 . 1 . . . . . . . . 5921 1 968 . 1 1 80 80 ILE CB C 13 43.085 0.05 . 1 . . . . . . . . 5921 1 969 . 1 1 80 80 ILE HB H 1 1.520 0.02 . 1 . . . . . . . . 5921 1 970 . 1 1 80 80 ILE HG21 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 971 . 1 1 80 80 ILE HG22 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 972 . 1 1 80 80 ILE HG23 H 1 0.855 0.02 . 1 . . . . . . . . 5921 1 973 . 1 1 80 80 ILE CG2 C 13 18.863 0.05 . 1 . . . . . . . . 5921 1 974 . 1 1 80 80 ILE CG1 C 13 28.685 0.05 . 1 . . . . . . . . 5921 1 975 . 1 1 80 80 ILE HG12 H 1 1.509 0.02 . 1 . . . . . . . . 5921 1 976 . 1 1 80 80 ILE HG13 H 1 1.084 0.02 . 1 . . . . . . . . 5921 1 977 . 1 1 80 80 ILE HD11 H 1 0.869 0.02 . 1 . . . . . . . . 5921 1 978 . 1 1 80 80 ILE HD12 H 1 0.869 0.02 . 1 . . . . . . . . 5921 1 979 . 1 1 80 80 ILE HD13 H 1 0.869 0.02 . 1 . . . . . . . . 5921 1 980 . 1 1 80 80 ILE CD1 C 13 14.853 0.05 . 1 . . . . . . . . 5921 1 981 . 1 1 80 80 ILE C C 13 173.739 0.05 . 1 . . . . . . . . 5921 1 982 . 1 1 81 81 LEU N N 15 123.589 0.03 . 1 . . . . . . . . 5921 1 983 . 1 1 81 81 LEU H H 1 8.547 0.02 . 1 . . . . . . . . 5921 1 984 . 1 1 81 81 LEU CA C 13 53.009 0.05 . 1 . . . . . . . . 5921 1 985 . 1 1 81 81 LEU HA H 1 4.784 0.02 . 1 . . . . . . . . 5921 1 986 . 1 1 81 81 LEU CB C 13 43.700 0.05 . 1 . . . . . . . . 5921 1 987 . 1 1 81 81 LEU HB2 H 1 1.850 0.02 . 1 . . . . . . . . 5921 1 988 . 1 1 81 81 LEU HB3 H 1 1.210 0.02 . 1 . . . . . . . . 5921 1 989 . 1 1 81 81 LEU CG C 13 26.908 0.05 . 1 . . . . . . . . 5921 1 990 . 1 1 81 81 LEU HG H 1 1.531 0.02 . 1 . . . . . . . . 5921 1 991 . 1 1 81 81 LEU HD11 H 1 0.542 0.02 . 1 . . . . . . . . 5921 1 992 . 1 1 81 81 LEU HD12 H 1 0.542 0.02 . 1 . . . . . . . . 5921 1 993 . 1 1 81 81 LEU HD13 H 1 0.542 0.02 . 1 . . . . . . . . 5921 1 994 . 1 1 81 81 LEU HD21 H 1 0.081 0.02 . 1 . . . . . . . . 5921 1 995 . 1 1 81 81 LEU HD22 H 1 0.081 0.02 . 1 . . . . . . . . 5921 1 996 . 1 1 81 81 LEU HD23 H 1 0.081 0.02 . 1 . . . . . . . . 5921 1 997 . 1 1 81 81 LEU CD1 C 13 23.765 0.05 . 1 . . . . . . . . 5921 1 998 . 1 1 81 81 LEU CD2 C 13 24.497 0.05 . 1 . . . . . . . . 5921 1 999 . 1 1 81 81 LEU C C 13 175.338 0.05 . 1 . . . . . . . . 5921 1 1000 . 1 1 82 82 SER N N 15 114.166 0.03 . 1 . . . . . . . . 5921 1 1001 . 1 1 82 82 SER H H 1 8.500 0.02 . 1 . . . . . . . . 5921 1 1002 . 1 1 82 82 SER CA C 13 56.497 0.05 . 1 . . . . . . . . 5921 1 1003 . 1 1 82 82 SER HA H 1 5.467 0.02 . 1 . . . . . . . . 5921 1 1004 . 1 1 82 82 SER CB C 13 67.280 0.05 . 1 . . . . . . . . 5921 1 1005 . 1 1 82 82 SER HB2 H 1 3.129 0.02 . 1 . . . . . . . . 5921 1 1006 . 1 1 82 82 SER HB3 H 1 3.022 0.02 . 1 . . . . . . . . 5921 1 1007 . 1 1 82 82 SER C C 13 173.601 0.05 . 1 . . . . . . . . 5921 1 1008 . 1 1 83 83 SER N N 15 115.283 0.03 . 1 . . . . . . . . 5921 1 1009 . 1 1 83 83 SER H H 1 7.473 0.02 . 1 . . . . . . . . 5921 1 1010 . 1 1 83 83 SER CA C 13 57.680 0.05 . 1 . . . . . . . . 5921 1 1011 . 1 1 83 83 SER HA H 1 4.092 0.02 . 1 . . . . . . . . 5921 1 1012 . 1 1 83 83 SER CB C 13 61.015 0.05 . 1 . . . . . . . . 5921 1 1013 . 1 1 83 83 SER HB2 H 1 3.971 0.02 . 1 . . . . . . . . 5921 1 1014 . 1 1 83 83 SER C C 13 173.541 0.05 . 1 . . . . . . . . 5921 1 1015 . 1 1 84 84 LEU N N 15 118.666 0.03 . 1 . . . . . . . . 5921 1 1016 . 1 1 84 84 LEU H H 1 8.234 0.02 . 1 . . . . . . . . 5921 1 1017 . 1 1 84 84 LEU CA C 13 55.811 0.05 . 1 . . . . . . . . 5921 1 1018 . 1 1 84 84 LEU HA H 1 3.930 0.02 . 1 . . . . . . . . 5921 1 1019 . 1 1 84 84 LEU CB C 13 41.807 0.05 . 1 . . . . . . . . 5921 1 1020 . 1 1 84 84 LEU HB2 H 1 1.551 0.02 . 1 . . . . . . . . 5921 1 1021 . 1 1 84 84 LEU CG C 13 28.915 0.05 . 1 . . . . . . . . 5921 1 1022 . 1 1 84 84 LEU HG H 1 1.637 0.02 . 1 . . . . . . . . 5921 1 1023 . 1 1 84 84 LEU HD11 H 1 0.808 0.02 . 1 . . . . . . . . 5921 1 1024 . 1 1 84 84 LEU HD12 H 1 0.808 0.02 . 1 . . . . . . . . 5921 1 1025 . 1 1 84 84 LEU HD13 H 1 0.808 0.02 . 1 . . . . . . . . 5921 1 1026 . 1 1 84 84 LEU HD21 H 1 0.716 0.02 . 1 . . . . . . . . 5921 1 1027 . 1 1 84 84 LEU HD22 H 1 0.716 0.02 . 1 . . . . . . . . 5921 1 1028 . 1 1 84 84 LEU HD23 H 1 0.716 0.02 . 1 . . . . . . . . 5921 1 1029 . 1 1 84 84 LEU CD1 C 13 25.939 0.05 . 1 . . . . . . . . 5921 1 1030 . 1 1 84 84 LEU CD2 C 13 26.041 0.05 . 1 . . . . . . . . 5921 1 1031 . 1 1 84 84 LEU C C 13 179.128 0.05 . 1 . . . . . . . . 5921 1 1032 . 1 1 85 85 LYS N N 15 123.305 0.03 . 1 . . . . . . . . 5921 1 1033 . 1 1 85 85 LYS H H 1 9.440 0.02 . 1 . . . . . . . . 5921 1 1034 . 1 1 85 85 LYS CA C 13 56.077 0.05 . 1 . . . . . . . . 5921 1 1035 . 1 1 85 85 LYS HA H 1 4.446 0.02 . 1 . . . . . . . . 5921 1 1036 . 1 1 85 85 LYS CB C 13 33.440 0.05 . 1 . . . . . . . . 5921 1 1037 . 1 1 85 85 LYS HB2 H 1 2.177 0.02 . 1 . . . . . . . . 5921 1 1038 . 1 1 85 85 LYS HB3 H 1 1.873 0.02 . 1 . . . . . . . . 5921 1 1039 . 1 1 85 85 LYS CG C 13 25.745 0.05 . 1 . . . . . . . . 5921 1 1040 . 1 1 85 85 LYS HG2 H 1 1.813 0.02 . 1 . . . . . . . . 5921 1 1041 . 1 1 85 85 LYS HG3 H 1 1.646 0.02 . 1 . . . . . . . . 5921 1 1042 . 1 1 85 85 LYS CD C 13 29.008 0.05 . 1 . . . . . . . . 5921 1 1043 . 1 1 85 85 LYS HD2 H 1 1.815 0.02 . 1 . . . . . . . . 5921 1 1044 . 1 1 85 85 LYS CE C 13 39.522 0.05 . 1 . . . . . . . . 5921 1 1045 . 1 1 85 85 LYS HE2 H 1 3.112 0.02 . 1 . . . . . . . . 5921 1 1046 . 1 1 85 85 LYS C C 13 178.496 0.05 . 1 . . . . . . . . 5921 1 1047 . 1 1 86 86 GLU N N 15 123.767 0.03 . 1 . . . . . . . . 5921 1 1048 . 1 1 86 86 GLU H H 1 8.974 0.02 . 1 . . . . . . . . 5921 1 1049 . 1 1 86 86 GLU CA C 13 59.668 0.05 . 1 . . . . . . . . 5921 1 1050 . 1 1 86 86 GLU HA H 1 4.124 0.02 . 1 . . . . . . . . 5921 1 1051 . 1 1 86 86 GLU CB C 13 29.002 0.05 . 1 . . . . . . . . 5921 1 1052 . 1 1 86 86 GLU HB2 H 1 2.207 0.02 . 1 . . . . . . . . 5921 1 1053 . 1 1 86 86 GLU HB3 H 1 2.110 0.02 . 1 . . . . . . . . 5921 1 1054 . 1 1 86 86 GLU CG C 13 35.399 0.05 . 1 . . . . . . . . 5921 1 1055 . 1 1 86 86 GLU HG2 H 1 2.423 0.02 . 1 . . . . . . . . 5921 1 1056 . 1 1 86 86 GLU C C 13 178.102 0.05 . 1 . . . . . . . . 5921 1 1057 . 1 1 87 87 SER N N 15 111.346 0.03 . 1 . . . . . . . . 5921 1 1058 . 1 1 87 87 SER H H 1 8.368 0.02 . 1 . . . . . . . . 5921 1 1059 . 1 1 87 87 SER CA C 13 60.803 0.05 . 1 . . . . . . . . 5921 1 1060 . 1 1 87 87 SER HA H 1 4.144 0.02 . 1 . . . . . . . . 5921 1 1061 . 1 1 87 87 SER CB C 13 61.976 0.05 . 1 . . . . . . . . 5921 1 1062 . 1 1 87 87 SER HB2 H 1 4.133 0.02 . 1 . . . . . . . . 5921 1 1063 . 1 1 87 87 SER C C 13 176.285 0.05 . 1 . . . . . . . . 5921 1 1064 . 1 1 88 88 ILE N N 15 121.612 0.03 . 1 . . . . . . . . 5921 1 1065 . 1 1 88 88 ILE H H 1 7.157 0.02 . 1 . . . . . . . . 5921 1 1066 . 1 1 88 88 ILE CA C 13 61.307 0.05 . 1 . . . . . . . . 5921 1 1067 . 1 1 88 88 ILE HA H 1 4.102 0.02 . 1 . . . . . . . . 5921 1 1068 . 1 1 88 88 ILE CB C 13 35.972 0.05 . 1 . . . . . . . . 5921 1 1069 . 1 1 88 88 ILE HB H 1 2.158 0.02 . 1 . . . . . . . . 5921 1 1070 . 1 1 88 88 ILE HG21 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 1071 . 1 1 88 88 ILE HG22 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 1072 . 1 1 88 88 ILE HG23 H 1 0.825 0.02 . 1 . . . . . . . . 5921 1 1073 . 1 1 88 88 ILE CG2 C 13 17.406 0.05 . 1 . . . . . . . . 5921 1 1074 . 1 1 88 88 ILE CG1 C 13 27.830 0.05 . 1 . . . . . . . . 5921 1 1075 . 1 1 88 88 ILE HG12 H 1 1.483 0.02 . 1 . . . . . . . . 5921 1 1076 . 1 1 88 88 ILE HD11 H 1 0.646 0.02 . 1 . . . . . . . . 5921 1 1077 . 1 1 88 88 ILE HD12 H 1 0.646 0.02 . 1 . . . . . . . . 5921 1 1078 . 1 1 88 88 ILE HD13 H 1 0.646 0.02 . 1 . . . . . . . . 5921 1 1079 . 1 1 88 88 ILE CD1 C 13 10.423 0.05 . 1 . . . . . . . . 5921 1 1080 . 1 1 88 88 ILE C C 13 177.766 0.05 . 1 . . . . . . . . 5921 1 1081 . 1 1 89 89 SER N N 15 116.561 0.03 . 1 . . . . . . . . 5921 1 1082 . 1 1 89 89 SER H H 1 8.487 0.02 . 1 . . . . . . . . 5921 1 1083 . 1 1 89 89 SER CA C 13 62.153 0.05 . 1 . . . . . . . . 5921 1 1084 . 1 1 89 89 SER HA H 1 3.912 0.02 . 1 . . . . . . . . 5921 1 1085 . 1 1 89 89 SER CB C 13 62.947 0.05 . 1 . . . . . . . . 5921 1 1086 . 1 1 89 89 SER HB2 H 1 3.871 0.02 . 1 . . . . . . . . 5921 1 1087 . 1 1 89 89 SER C C 13 179.197 0.05 . 1 . . . . . . . . 5921 1 1088 . 1 1 90 90 ARG N N 15 118.707 0.03 . 1 . . . . . . . . 5921 1 1089 . 1 1 90 90 ARG H H 1 8.384 0.02 . 1 . . . . . . . . 5921 1 1090 . 1 1 90 90 ARG CA C 13 59.683 0.05 . 1 . . . . . . . . 5921 1 1091 . 1 1 90 90 ARG HA H 1 4.063 0.02 . 1 . . . . . . . . 5921 1 1092 . 1 1 90 90 ARG CB C 13 29.858 0.05 . 1 . . . . . . . . 5921 1 1093 . 1 1 90 90 ARG HB2 H 1 2.139 0.02 . 1 . . . . . . . . 5921 1 1094 . 1 1 90 90 ARG HB3 H 1 1.998 0.02 . 1 . . . . . . . . 5921 1 1095 . 1 1 90 90 ARG CG C 13 27.369 0.05 . 1 . . . . . . . . 5921 1 1096 . 1 1 90 90 ARG HG2 H 1 1.818 0.02 . 1 . . . . . . . . 5921 1 1097 . 1 1 90 90 ARG HG3 H 1 1.659 0.02 . 1 . . . . . . . . 5921 1 1098 . 1 1 90 90 ARG CD C 13 43.336 0.05 . 1 . . . . . . . . 5921 1 1099 . 1 1 90 90 ARG HD2 H 1 3.284 0.02 . 1 . . . . . . . . 5921 1 1100 . 1 1 90 90 ARG NE N 15 85.216 0.03 . 1 . . . . . . . . 5921 1 1101 . 1 1 90 90 ARG HE H 1 7.549 0.02 . 1 . . . . . . . . 5921 1 1102 . 1 1 90 90 ARG NH1 N 15 72.321 0.03 . 1 . . . . . . . . 5921 1 1103 . 1 1 90 90 ARG HH21 H 1 6.956 0.02 . 1 . . . . . . . . 5921 1 1104 . 1 1 90 90 ARG C C 13 178.457 0.05 . 1 . . . . . . . . 5921 1 1105 . 1 1 91 91 ILE N N 15 118.216 0.03 . 1 . . . . . . . . 5921 1 1106 . 1 1 91 91 ILE H H 1 7.278 0.02 . 1 . . . . . . . . 5921 1 1107 . 1 1 91 91 ILE CA C 13 64.482 0.05 . 1 . . . . . . . . 5921 1 1108 . 1 1 91 91 ILE HA H 1 3.926 0.02 . 1 . . . . . . . . 5921 1 1109 . 1 1 91 91 ILE CB C 13 37.999 0.05 . 1 . . . . . . . . 5921 1 1110 . 1 1 91 91 ILE HB H 1 2.047 0.02 . 1 . . . . . . . . 5921 1 1111 . 1 1 91 91 ILE HG21 H 1 0.970 0.02 . 1 . . . . . . . . 5921 1 1112 . 1 1 91 91 ILE HG22 H 1 0.970 0.02 . 1 . . . . . . . . 5921 1 1113 . 1 1 91 91 ILE HG23 H 1 0.970 0.02 . 1 . . . . . . . . 5921 1 1114 . 1 1 91 91 ILE CG2 C 13 17.590 0.05 . 1 . . . . . . . . 5921 1 1115 . 1 1 91 91 ILE CG1 C 13 28.787 0.05 . 1 . . . . . . . . 5921 1 1116 . 1 1 91 91 ILE HG12 H 1 1.318 0.02 . 1 . . . . . . . . 5921 1 1117 . 1 1 91 91 ILE HD11 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 1118 . 1 1 91 91 ILE HD12 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 1119 . 1 1 91 91 ILE HD13 H 1 0.951 0.02 . 1 . . . . . . . . 5921 1 1120 . 1 1 91 91 ILE CD1 C 13 13.463 0.05 . 1 . . . . . . . . 5921 1 1121 . 1 1 91 91 ILE C C 13 178.931 0.05 . 1 . . . . . . . . 5921 1 1122 . 1 1 92 92 LEU N N 15 121.539 0.03 . 1 . . . . . . . . 5921 1 1123 . 1 1 92 92 LEU H H 1 7.870 0.02 . 1 . . . . . . . . 5921 1 1124 . 1 1 92 92 LEU CA C 13 58.414 0.05 . 1 . . . . . . . . 5921 1 1125 . 1 1 92 92 LEU HA H 1 3.917 0.02 . 1 . . . . . . . . 5921 1 1126 . 1 1 92 92 LEU CB C 13 40.681 0.05 . 1 . . . . . . . . 5921 1 1127 . 1 1 92 92 LEU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 5921 1 1128 . 1 1 92 92 LEU HB3 H 1 1.269 0.02 . 1 . . . . . . . . 5921 1 1129 . 1 1 92 92 LEU CG C 13 27.563 0.05 . 1 . . . . . . . . 5921 1 1130 . 1 1 92 92 LEU HG H 1 1.730 0.02 . 1 . . . . . . . . 5921 1 1131 . 1 1 92 92 LEU HD11 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1132 . 1 1 92 92 LEU HD12 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1133 . 1 1 92 92 LEU HD13 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1134 . 1 1 92 92 LEU HD21 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1135 . 1 1 92 92 LEU HD22 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1136 . 1 1 92 92 LEU HD23 H 1 0.636 0.02 . 1 . . . . . . . . 5921 1 1137 . 1 1 92 92 LEU CD1 C 13 26.314 0.05 . 1 . . . . . . . . 5921 1 1138 . 1 1 92 92 LEU CD2 C 13 24.007 0.05 . 1 . . . . . . . . 5921 1 1139 . 1 1 92 92 LEU C C 13 178.082 0.05 . 1 . . . . . . . . 5921 1 1140 . 1 1 93 93 LYS N N 15 118.163 0.03 . 1 . . . . . . . . 5921 1 1141 . 1 1 93 93 LYS H H 1 8.008 0.02 . 1 . . . . . . . . 5921 1 1142 . 1 1 93 93 LYS CA C 13 59.091 0.05 . 1 . . . . . . . . 5921 1 1143 . 1 1 93 93 LYS HA H 1 4.204 0.02 . 1 . . . . . . . . 5921 1 1144 . 1 1 93 93 LYS CB C 13 32.356 0.05 . 1 . . . . . . . . 5921 1 1145 . 1 1 93 93 LYS HB2 H 1 1.912 0.02 . 1 . . . . . . . . 5921 1 1146 . 1 1 93 93 LYS CG C 13 25.230 0.05 . 1 . . . . . . . . 5921 1 1147 . 1 1 93 93 LYS HG2 H 1 1.607 0.02 . 1 . . . . . . . . 5921 1 1148 . 1 1 93 93 LYS HG3 H 1 1.436 0.02 . 1 . . . . . . . . 5921 1 1149 . 1 1 93 93 LYS CD C 13 28.944 0.05 . 1 . . . . . . . . 5921 1 1150 . 1 1 93 93 LYS HD2 H 1 1.706 0.02 . 1 . . . . . . . . 5921 1 1151 . 1 1 93 93 LYS CE C 13 44.357 0.05 . 1 . . . . . . . . 5921 1 1152 . 1 1 93 93 LYS HE2 H 1 2.996 0.02 . 1 . . . . . . . . 5921 1 1153 . 1 1 93 93 LYS C C 13 180.628 0.05 . 1 . . . . . . . . 5921 1 1154 . 1 1 94 94 LEU N N 15 120.868 0.03 . 1 . . . . . . . . 5921 1 1155 . 1 1 94 94 LEU H H 1 8.426 0.02 . 1 . . . . . . . . 5921 1 1156 . 1 1 94 94 LEU CA C 13 57.881 0.05 . 1 . . . . . . . . 5921 1 1157 . 1 1 94 94 LEU HA H 1 4.075 0.02 . 1 . . . . . . . . 5921 1 1158 . 1 1 94 94 LEU CB C 13 42.539 0.05 . 1 . . . . . . . . 5921 1 1159 . 1 1 94 94 LEU HB2 H 1 1.912 0.02 . 1 . . . . . . . . 5921 1 1160 . 1 1 94 94 LEU HB3 H 1 1.626 0.02 . 1 . . . . . . . . 5921 1 1161 . 1 1 94 94 LEU CG C 13 26.957 0.05 . 1 . . . . . . . . 5921 1 1162 . 1 1 94 94 LEU HG H 1 1.854 0.02 . 1 . . . . . . . . 5921 1 1163 . 1 1 94 94 LEU HD11 H 1 0.943 0.02 . 1 . . . . . . . . 5921 1 1164 . 1 1 94 94 LEU HD12 H 1 0.943 0.02 . 1 . . . . . . . . 5921 1 1165 . 1 1 94 94 LEU HD13 H 1 0.943 0.02 . 1 . . . . . . . . 5921 1 1166 . 1 1 94 94 LEU HD21 H 1 0.944 0.02 . 1 . . . . . . . . 5921 1 1167 . 1 1 94 94 LEU HD22 H 1 0.944 0.02 . 1 . . . . . . . . 5921 1 1168 . 1 1 94 94 LEU HD23 H 1 0.944 0.02 . 1 . . . . . . . . 5921 1 1169 . 1 1 94 94 LEU CD1 C 13 24.825 0.05 . 1 . . . . . . . . 5921 1 1170 . 1 1 94 94 LEU CD2 C 13 23.483 0.05 . 1 . . . . . . . . 5921 1 1171 . 1 1 94 94 LEU C C 13 178.575 0.05 . 1 . . . . . . . . 5921 1 1172 . 1 1 95 95 THR N N 15 104.636 0.03 . 1 . . . . . . . . 5921 1 1173 . 1 1 95 95 THR H H 1 7.466 0.02 . 1 . . . . . . . . 5921 1 1174 . 1 1 95 95 THR CA C 13 61.769 0.05 . 1 . . . . . . . . 5921 1 1175 . 1 1 95 95 THR HA H 1 4.163 0.02 . 1 . . . . . . . . 5921 1 1176 . 1 1 95 95 THR CB C 13 70.547 0.05 . 1 . . . . . . . . 5921 1 1177 . 1 1 95 95 THR HB H 1 4.369 0.02 . 1 . . . . . . . . 5921 1 1178 . 1 1 95 95 THR HG21 H 1 1.301 0.02 . 1 . . . . . . . . 5921 1 1179 . 1 1 95 95 THR HG22 H 1 1.301 0.02 . 1 . . . . . . . . 5921 1 1180 . 1 1 95 95 THR HG23 H 1 1.301 0.02 . 1 . . . . . . . . 5921 1 1181 . 1 1 95 95 THR CG2 C 13 21.705 0.05 . 1 . . . . . . . . 5921 1 1182 . 1 1 95 95 THR C C 13 178.258 0.05 . 1 . . . . . . . . 5921 1 1183 . 1 1 96 96 HIS N N 15 112.176 0.03 . 1 . . . . . . . . 5921 1 1184 . 1 1 96 96 HIS H H 1 7.482 0.02 . 1 . . . . . . . . 5921 1 1185 . 1 1 96 96 HIS CA C 13 56.934 0.05 . 1 . . . . . . . . 5921 1 1186 . 1 1 96 96 HIS HA H 1 4.669 0.02 . 1 . . . . . . . . 5921 1 1187 . 1 1 96 96 HIS CB C 13 25.565 0.05 . 1 . . . . . . . . 5921 1 1188 . 1 1 96 96 HIS HB2 H 1 3.771 0.02 . 1 . . . . . . . . 5921 1 1189 . 1 1 96 96 HIS HB3 H 1 3.561 0.02 . 1 . . . . . . . . 5921 1 1190 . 1 1 96 96 HIS CD2 C 13 119.867 0.05 . 1 . . . . . . . . 5921 1 1191 . 1 1 96 96 HIS CE1 C 13 135.885 0.05 . 1 . . . . . . . . 5921 1 1192 . 1 1 96 96 HIS HD2 H 1 7.378 0.02 . 1 . . . . . . . . 5921 1 1193 . 1 1 96 96 HIS HE1 H 1 8.671 0.02 . 1 . . . . . . . . 5921 1 1194 . 1 1 96 96 HIS C C 13 180.589 0.05 . 1 . . . . . . . . 5921 1 1195 . 1 1 97 97 LEU N N 15 120.355 0.03 . 1 . . . . . . . . 5921 1 1196 . 1 1 97 97 LEU H H 1 8.369 0.02 . 1 . . . . . . . . 5921 1 1197 . 1 1 97 97 LEU CA C 13 56.141 0.05 . 1 . . . . . . . . 5921 1 1198 . 1 1 97 97 LEU HA H 1 4.444 0.02 . 1 . . . . . . . . 5921 1 1199 . 1 1 97 97 LEU CB C 13 42.284 0.05 . 1 . . . . . . . . 5921 1 1200 . 1 1 97 97 LEU HB2 H 1 1.823 0.02 . 1 . . . . . . . . 5921 1 1201 . 1 1 97 97 LEU HB3 H 1 1.864 0.02 . 1 . . . . . . . . 5921 1 1202 . 1 1 97 97 LEU CG C 13 26.988 0.05 . 1 . . . . . . . . 5921 1 1203 . 1 1 97 97 LEU HG H 1 1.845 0.02 . 1 . . . . . . . . 5921 1 1204 . 1 1 97 97 LEU HD11 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1205 . 1 1 97 97 LEU HD12 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1206 . 1 1 97 97 LEU HD13 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1207 . 1 1 97 97 LEU HD21 H 1 0.940 0.02 . 1 . . . . . . . . 5921 1 1208 . 1 1 97 97 LEU HD22 H 1 0.940 0.02 . 1 . . . . . . . . 5921 1 1209 . 1 1 97 97 LEU HD23 H 1 0.940 0.02 . 1 . . . . . . . . 5921 1 1210 . 1 1 97 97 LEU CD1 C 13 25.976 0.05 . 1 . . . . . . . . 5921 1 1211 . 1 1 97 97 LEU CD2 C 13 23.582 0.05 . 1 . . . . . . . . 5921 1 1212 . 1 1 97 97 LEU C C 13 177.904 0.05 . 1 . . . . . . . . 5921 1 1213 . 1 1 98 98 ASP N N 15 119.450 0.03 . 1 . . . . . . . . 5921 1 1214 . 1 1 98 98 ASP H H 1 8.785 0.02 . 1 . . . . . . . . 5921 1 1215 . 1 1 98 98 ASP CA C 13 56.018 0.05 . 1 . . . . . . . . 5921 1 1216 . 1 1 98 98 ASP HA H 1 4.254 0.02 . 1 . . . . . . . . 5921 1 1217 . 1 1 98 98 ASP CB C 13 38.394 0.05 . 1 . . . . . . . . 5921 1 1218 . 1 1 98 98 ASP HB2 H 1 2.822 0.02 . 1 . . . . . . . . 5921 1 1219 . 1 1 98 98 ASP HB3 H 1 2.325 0.02 . 1 . . . . . . . . 5921 1 1220 . 1 1 98 98 ASP C C 13 176.108 0.05 . 1 . . . . . . . . 5921 1 1221 . 1 1 99 99 LYS N N 15 115.188 0.03 . 1 . . . . . . . . 5921 1 1222 . 1 1 99 99 LYS H H 1 7.404 0.02 . 1 . . . . . . . . 5921 1 1223 . 1 1 99 99 LYS CA C 13 56.350 0.05 . 1 . . . . . . . . 5921 1 1224 . 1 1 99 99 LYS HA H 1 4.406 0.02 . 1 . . . . . . . . 5921 1 1225 . 1 1 99 99 LYS CB C 13 32.340 0.05 . 1 . . . . . . . . 5921 1 1226 . 1 1 99 99 LYS HB2 H 1 2.010 0.02 . 1 . . . . . . . . 5921 1 1227 . 1 1 99 99 LYS HB3 H 1 1.901 0.02 . 1 . . . . . . . . 5921 1 1228 . 1 1 99 99 LYS CG C 13 24.682 0.05 . 1 . . . . . . . . 5921 1 1229 . 1 1 99 99 LYS HG2 H 1 1.612 0.02 . 1 . . . . . . . . 5921 1 1230 . 1 1 99 99 LYS HG3 H 1 1.536 0.02 . 1 . . . . . . . . 5921 1 1231 . 1 1 99 99 LYS CD C 13 28.448 0.05 . 1 . . . . . . . . 5921 1 1232 . 1 1 99 99 LYS HD2 H 1 1.718 0.02 . 1 . . . . . . . . 5921 1 1233 . 1 1 99 99 LYS CE C 13 42.042 0.05 . 1 . . . . . . . . 5921 1 1234 . 1 1 99 99 LYS HE2 H 1 3.053 0.02 . 1 . . . . . . . . 5921 1 1235 . 1 1 99 99 LYS C C 13 177.373 0.05 . 1 . . . . . . . . 5921 1 1236 . 1 1 100 100 ILE N N 15 115.131 0.03 . 1 . . . . . . . . 5921 1 1237 . 1 1 100 100 ILE H H 1 7.466 0.02 . 1 . . . . . . . . 5921 1 1238 . 1 1 100 100 ILE CA C 13 61.095 0.05 . 1 . . . . . . . . 5921 1 1239 . 1 1 100 100 ILE HA H 1 4.313 0.02 . 1 . . . . . . . . 5921 1 1240 . 1 1 100 100 ILE CB C 13 38.427 0.05 . 1 . . . . . . . . 5921 1 1241 . 1 1 100 100 ILE HB H 1 1.914 0.02 . 1 . . . . . . . . 5921 1 1242 . 1 1 100 100 ILE HG21 H 1 0.659 0.02 . 1 . . . . . . . . 5921 1 1243 . 1 1 100 100 ILE HG22 H 1 0.659 0.02 . 1 . . . . . . . . 5921 1 1244 . 1 1 100 100 ILE HG23 H 1 0.659 0.02 . 1 . . . . . . . . 5921 1 1245 . 1 1 100 100 ILE CG2 C 13 17.097 0.05 . 1 . . . . . . . . 5921 1 1246 . 1 1 100 100 ILE CG1 C 13 26.885 0.05 . 1 . . . . . . . . 5921 1 1247 . 1 1 100 100 ILE HG12 H 1 1.298 0.02 . 1 . . . . . . . . 5921 1 1248 . 1 1 100 100 ILE HG13 H 1 1.121 0.02 . 1 . . . . . . . . 5921 1 1249 . 1 1 100 100 ILE HD11 H 1 0.733 0.02 . 1 . . . . . . . . 5921 1 1250 . 1 1 100 100 ILE HD12 H 1 0.733 0.02 . 1 . . . . . . . . 5921 1 1251 . 1 1 100 100 ILE HD13 H 1 0.733 0.02 . 1 . . . . . . . . 5921 1 1252 . 1 1 100 100 ILE CD1 C 13 12.918 0.05 . 1 . . . . . . . . 5921 1 1253 . 1 1 100 100 ILE C C 13 175.595 0.05 . 1 . . . . . . . . 5921 1 1254 . 1 1 101 101 PHE N N 15 117.702 0.03 . 1 . . . . . . . . 5921 1 1255 . 1 1 101 101 PHE H H 1 7.394 0.02 . 1 . . . . . . . . 5921 1 1256 . 1 1 101 101 PHE CA C 13 57.529 0.05 . 1 . . . . . . . . 5921 1 1257 . 1 1 101 101 PHE HA H 1 4.844 0.02 . 1 . . . . . . . . 5921 1 1258 . 1 1 101 101 PHE CB C 13 41.356 0.05 . 1 . . . . . . . . 5921 1 1259 . 1 1 101 101 PHE HB2 H 1 3.032 0.02 . 1 . . . . . . . . 5921 1 1260 . 1 1 101 101 PHE HB3 H 1 2.630 0.02 . 1 . . . . . . . . 5921 1 1261 . 1 1 101 101 PHE HD1 H 1 7.539 0.02 . 1 . . . . . . . . 5921 1 1262 . 1 1 101 101 PHE HE1 H 1 7.249 0.02 . 1 . . . . . . . . 5921 1 1263 . 1 1 101 101 PHE CD1 C 13 132.325 0.05 . 1 . . . . . . . . 5921 1 1264 . 1 1 101 101 PHE CE1 C 13 130.190 0.05 . 1 . . . . . . . . 5921 1 1265 . 1 1 101 101 PHE CZ C 13 130.312 0.05 . 1 . . . . . . . . 5921 1 1266 . 1 1 101 101 PHE HZ H 1 7.074 0.02 . 1 . . . . . . . . 5921 1 1267 . 1 1 101 101 PHE C C 13 175.200 0.05 . 1 . . . . . . . . 5921 1 1268 . 1 1 102 102 LYS N N 15 123.382 0.03 . 1 . . . . . . . . 5921 1 1269 . 1 1 102 102 LYS H H 1 9.140 0.02 . 1 . . . . . . . . 5921 1 1270 . 1 1 102 102 LYS CA C 13 56.193 0.05 . 1 . . . . . . . . 5921 1 1271 . 1 1 102 102 LYS HA H 1 4.552 0.02 . 1 . . . . . . . . 5921 1 1272 . 1 1 102 102 LYS CB C 13 32.559 0.05 . 1 . . . . . . . . 5921 1 1273 . 1 1 102 102 LYS HB2 H 1 2.060 0.02 . 1 . . . . . . . . 5921 1 1274 . 1 1 102 102 LYS HB3 H 1 1.963 0.02 . 1 . . . . . . . . 5921 1 1275 . 1 1 102 102 LYS CG C 13 25.411 0.05 . 1 . . . . . . . . 5921 1 1276 . 1 1 102 102 LYS HG2 H 1 1.533 0.02 . 1 . . . . . . . . 5921 1 1277 . 1 1 102 102 LYS HG3 H 1 1.417 0.02 . 1 . . . . . . . . 5921 1 1278 . 1 1 102 102 LYS CD C 13 29.039 0.05 . 1 . . . . . . . . 5921 1 1279 . 1 1 102 102 LYS HD2 H 1 1.759 0.02 . 1 . . . . . . . . 5921 1 1280 . 1 1 102 102 LYS CE C 13 42.112 0.05 . 1 . . . . . . . . 5921 1 1281 . 1 1 102 102 LYS HE2 H 1 2.997 0.02 . 1 . . . . . . . . 5921 1 1282 . 1 1 102 102 LYS C C 13 174.864 0.05 . 1 . . . . . . . . 5921 1 1283 . 1 1 103 103 ILE N N 15 127.329 0.03 . 1 . . . . . . . . 5921 1 1284 . 1 1 103 103 ILE H H 1 8.321 0.02 . 1 . . . . . . . . 5921 1 1285 . 1 1 103 103 ILE CA C 13 59.456 0.05 . 1 . . . . . . . . 5921 1 1286 . 1 1 103 103 ILE HA H 1 5.426 0.02 . 1 . . . . . . . . 5921 1 1287 . 1 1 103 103 ILE CB C 13 41.218 0.05 . 1 . . . . . . . . 5921 1 1288 . 1 1 103 103 ILE HB H 1 1.634 0.02 . 1 . . . . . . . . 5921 1 1289 . 1 1 103 103 ILE HG21 H 1 0.844 0.02 . 1 . . . . . . . . 5921 1 1290 . 1 1 103 103 ILE HG22 H 1 0.844 0.02 . 1 . . . . . . . . 5921 1 1291 . 1 1 103 103 ILE HG23 H 1 0.844 0.02 . 1 . . . . . . . . 5921 1 1292 . 1 1 103 103 ILE CG2 C 13 18.063 0.05 . 1 . . . . . . . . 5921 1 1293 . 1 1 103 103 ILE CG1 C 13 27.905 0.05 . 1 . . . . . . . . 5921 1 1294 . 1 1 103 103 ILE HG12 H 1 1.623 0.02 . 1 . . . . . . . . 5921 1 1295 . 1 1 103 103 ILE HG13 H 1 0.851 0.02 . 1 . . . . . . . . 5921 1 1296 . 1 1 103 103 ILE HD11 H 1 0.899 0.02 . 1 . . . . . . . . 5921 1 1297 . 1 1 103 103 ILE HD12 H 1 0.899 0.02 . 1 . . . . . . . . 5921 1 1298 . 1 1 103 103 ILE HD13 H 1 0.899 0.02 . 1 . . . . . . . . 5921 1 1299 . 1 1 103 103 ILE CD1 C 13 14.194 0.05 . 1 . . . . . . . . 5921 1 1300 . 1 1 103 103 ILE C C 13 176.937 0.05 . 1 . . . . . . . . 5921 1 1301 . 1 1 104 104 THR N N 15 117.159 0.03 . 1 . . . . . . . . 5921 1 1302 . 1 1 104 104 THR H H 1 9.085 0.02 . 1 . . . . . . . . 5921 1 1303 . 1 1 104 104 THR CA C 13 59.291 0.05 . 1 . . . . . . . . 5921 1 1304 . 1 1 104 104 THR HA H 1 4.927 0.02 . 1 . . . . . . . . 5921 1 1305 . 1 1 104 104 THR CB C 13 70.886 0.05 . 1 . . . . . . . . 5921 1 1306 . 1 1 104 104 THR HB H 1 4.460 0.02 . 1 . . . . . . . . 5921 1 1307 . 1 1 104 104 THR HG21 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1308 . 1 1 104 104 THR HG22 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1309 . 1 1 104 104 THR HG23 H 1 1.026 0.02 . 1 . . . . . . . . 5921 1 1310 . 1 1 104 104 THR CG2 C 13 21.607 0.05 . 1 . . . . . . . . 5921 1 1311 . 1 1 104 104 THR C C 13 175.437 0.05 . 1 . . . . . . . . 5921 1 1312 . 1 1 105 105 ASP N N 15 122.561 0.03 . 1 . . . . . . . . 5921 1 1313 . 1 1 105 105 ASP H H 1 8.934 0.02 . 1 . . . . . . . . 5921 1 1314 . 1 1 105 105 ASP CA C 13 57.052 0.05 . 1 . . . . . . . . 5921 1 1315 . 1 1 105 105 ASP HA H 1 4.648 0.02 . 1 . . . . . . . . 5921 1 1316 . 1 1 105 105 ASP CB C 13 40.817 0.05 . 1 . . . . . . . . 5921 1 1317 . 1 1 105 105 ASP HB2 H 1 3.007 0.02 . 1 . . . . . . . . 5921 1 1318 . 1 1 105 105 ASP HB3 H 1 2.835 0.02 . 1 . . . . . . . . 5921 1 1319 . 1 1 105 105 ASP C C 13 176.680 0.05 . 1 . . . . . . . . 5921 1 1320 . 1 1 106 106 THR N N 15 106.211 0.03 . 1 . . . . . . . . 5921 1 1321 . 1 1 106 106 THR H H 1 7.553 0.02 . 1 . . . . . . . . 5921 1 1322 . 1 1 106 106 THR CA C 13 58.740 0.05 . 1 . . . . . . . . 5921 1 1323 . 1 1 106 106 THR HA H 1 4.821 0.02 . 1 . . . . . . . . 5921 1 1324 . 1 1 106 106 THR CB C 13 72.036 0.05 . 1 . . . . . . . . 5921 1 1325 . 1 1 106 106 THR HB H 1 4.553 0.02 . 1 . . . . . . . . 5921 1 1326 . 1 1 106 106 THR HG21 H 1 1.201 0.02 . 1 . . . . . . . . 5921 1 1327 . 1 1 106 106 THR HG22 H 1 1.201 0.02 . 1 . . . . . . . . 5921 1 1328 . 1 1 106 106 THR HG23 H 1 1.201 0.02 . 1 . . . . . . . . 5921 1 1329 . 1 1 106 106 THR CG2 C 13 21.364 0.05 . 1 . . . . . . . . 5921 1 1330 . 1 1 106 106 THR C C 13 175.970 0.05 . 1 . . . . . . . . 5921 1 1331 . 1 1 107 107 VAL N N 15 121.266 0.03 . 1 . . . . . . . . 5921 1 1332 . 1 1 107 107 VAL H H 1 8.734 0.02 . 1 . . . . . . . . 5921 1 1333 . 1 1 107 107 VAL CA C 13 64.515 0.05 . 1 . . . . . . . . 5921 1 1334 . 1 1 107 107 VAL HA H 1 3.733 0.02 . 1 . . . . . . . . 5921 1 1335 . 1 1 107 107 VAL CB C 13 31.546 0.05 . 1 . . . . . . . . 5921 1 1336 . 1 1 107 107 VAL HB H 1 2.029 0.02 . 1 . . . . . . . . 5921 1 1337 . 1 1 107 107 VAL HG11 H 1 0.958 0.02 . 1 . . . . . . . . 5921 1 1338 . 1 1 107 107 VAL HG12 H 1 0.958 0.02 . 1 . . . . . . . . 5921 1 1339 . 1 1 107 107 VAL HG13 H 1 0.958 0.02 . 1 . . . . . . . . 5921 1 1340 . 1 1 107 107 VAL HG21 H 1 0.947 0.02 . 1 . . . . . . . . 5921 1 1341 . 1 1 107 107 VAL HG22 H 1 0.947 0.02 . 1 . . . . . . . . 5921 1 1342 . 1 1 107 107 VAL HG23 H 1 0.947 0.02 . 1 . . . . . . . . 5921 1 1343 . 1 1 107 107 VAL CG1 C 13 20.979 0.05 . 1 . . . . . . . . 5921 1 1344 . 1 1 107 107 VAL CG2 C 13 21.619 0.05 . 1 . . . . . . . . 5921 1 1345 . 1 1 107 107 VAL C C 13 178.102 0.05 . 1 . . . . . . . . 5921 1 1346 . 1 1 108 108 GLU N N 15 119.573 0.03 . 1 . . . . . . . . 5921 1 1347 . 1 1 108 108 GLU H H 1 8.572 0.02 . 1 . . . . . . . . 5921 1 1348 . 1 1 108 108 GLU CA C 13 59.061 0.05 . 1 . . . . . . . . 5921 1 1349 . 1 1 108 108 GLU HA H 1 4.054 0.02 . 1 . . . . . . . . 5921 1 1350 . 1 1 108 108 GLU CB C 13 28.659 0.05 . 1 . . . . . . . . 5921 1 1351 . 1 1 108 108 GLU HB2 H 1 2.051 0.02 . 1 . . . . . . . . 5921 1 1352 . 1 1 108 108 GLU CG C 13 36.363 0.05 . 1 . . . . . . . . 5921 1 1353 . 1 1 108 108 GLU HG2 H 1 2.487 0.02 . 1 . . . . . . . . 5921 1 1354 . 1 1 108 108 GLU HG3 H 1 2.323 0.02 . 1 . . . . . . . . 5921 1 1355 . 1 1 108 108 GLU C C 13 177.272 0.05 . 1 . . . . . . . . 5921 1 1356 . 1 1 109 109 GLU N N 15 115.984 0.03 . 1 . . . . . . . . 5921 1 1357 . 1 1 109 109 GLU H H 1 7.210 0.02 . 1 . . . . . . . . 5921 1 1358 . 1 1 109 109 GLU CA C 13 56.022 0.05 . 1 . . . . . . . . 5921 1 1359 . 1 1 109 109 GLU HA H 1 4.243 0.02 . 1 . . . . . . . . 5921 1 1360 . 1 1 109 109 GLU CB C 13 30.567 0.05 . 1 . . . . . . . . 5921 1 1361 . 1 1 109 109 GLU HB2 H 1 2.283 0.02 . 1 . . . . . . . . 5921 1 1362 . 1 1 109 109 GLU HB3 H 1 2.148 0.02 . 1 . . . . . . . . 5921 1 1363 . 1 1 109 109 GLU CG C 13 35.579 0.05 . 1 . . . . . . . . 5921 1 1364 . 1 1 109 109 GLU HG2 H 1 2.459 0.02 . 1 . . . . . . . . 5921 1 1365 . 1 1 109 109 GLU C C 13 175.555 0.05 . 1 . . . . . . . . 5921 1 1366 . 1 1 110 110 ALA N N 15 126.971 0.03 . 1 . . . . . . . . 5921 1 1367 . 1 1 110 110 ALA H H 1 7.205 0.02 . 1 . . . . . . . . 5921 1 1368 . 1 1 110 110 ALA CA C 13 54.307 0.05 . 1 . . . . . . . . 5921 1 1369 . 1 1 110 110 ALA HA H 1 3.955 0.02 . 1 . . . . . . . . 5921 1 1370 . 1 1 110 110 ALA HB1 H 1 1.342 0.02 . 1 . . . . . . . . 5921 1 1371 . 1 1 110 110 ALA HB2 H 1 1.342 0.02 . 1 . . . . . . . . 5921 1 1372 . 1 1 110 110 ALA HB3 H 1 1.342 0.02 . 1 . . . . . . . . 5921 1 1373 . 1 1 110 110 ALA CB C 13 20.368 0.05 . 1 . . . . . . . . 5921 1 stop_ save_