data_19320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19320 _Entry.Title ; 1H, 13C and 15N NMR assignments of RNA recognition motif of human Taf15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-25 _Entry.Accession_date 2013-06-25 _Entry.Last_release_date 2015-03-23 _Entry.Original_release_date 2015-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Maruthi Kashyap . . . 19320 2 Akshay Ganguly . . . 19320 3 'Neel Sarovar' Bhavesh . . . 19320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 412 19320 '15N chemical shifts' 100 19320 '1H chemical shifts' 633 19320 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 . . 2015-03-23 2013-06-25 original author . 19320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19316 'ETR-3 RRM3 unfolded' 19320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 13C and 15N NMR assignments of RNA recognition motif of human Taf15' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maruthi Kashyap . . . 19320 1 2 Akshay Ganguly . . . 19320 1 3 'Neel Sarovar' Bhavesh . . . 19320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19320 _Assembly.ID 1 _Assembly.Name Taf15 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 Taf15 1 $Taf15 A . yes native no no . . . 19320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Taf15 _Entity.Sf_category entity _Entity.Sf_framecode Taf15 _Entity.Entry_ID 19320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Taf15 _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 ; GSHMSDNNTIFVQGLGEGVS TDQVGEFFKQIGIIKTNKKT GKPMINLYTDKDTGKPKGEA TVSFDDPPSAKAAIDWFDGK EFHGNIIKVSFATRRPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 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 19561 . Taf-RRM-RanBP . . . . . 100.00 162 100.00 100.00 3.28e-62 . . . . 19320 1 2 no PDB 2MMY . "Solution Structure Of The Rna Recognition Motif Of Human Taf15" . . . . . 100.00 97 100.00 100.00 6.36e-63 . . . . 19320 1 3 no DBJ BAA33811 . "RBP56/hTAFII68 [Homo sapiens]" . . . . . 98.97 592 97.92 97.92 5.24e-59 . . . . 19320 1 4 no DBJ BAA33812 . "RBP56/hTAFII68 [Homo sapiens]" . . . . . 98.97 589 97.92 97.92 1.25e-46 . . . . 19320 1 5 no DBJ BAB46889 . "hypothetical protein [Macaca fascicularis]" . . . . . 98.97 397 97.92 97.92 2.08e-58 . . . . 19320 1 6 no DBJ BAC34676 . "unnamed protein product [Mus musculus]" . . . . . 98.97 557 97.92 97.92 5.49e-47 . . . . 19320 1 7 no DBJ BAE27086 . "unnamed protein product [Mus musculus]" . . . . . 98.97 557 97.92 97.92 5.49e-47 . . . . 19320 1 8 no EMBL CAA67398 . "hTAFII68 [Homo sapiens]" . . . . . 98.97 589 97.92 97.92 1.25e-46 . . . . 19320 1 9 no GB AAC50932 . "putative RNA binding protein RBP56 [Homo sapiens]" . . . . . 98.97 592 97.92 97.92 5.24e-59 . . . . 19320 1 10 no GB AAH46099 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" . . . . . 98.97 592 97.92 97.92 5.24e-59 . . . . 19320 1 11 no GB AAI37592 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" . . . . . 98.97 557 97.92 97.92 5.49e-47 . . . . 19320 1 12 no GB AAI66769 . "Taf15 protein [Rattus norvegicus]" . . . . . 98.97 572 97.92 97.92 6.35e-47 . . . . 19320 1 13 no GB AAO13485 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" . . . . . 98.97 589 97.92 97.92 1.25e-46 . . . . 19320 1 14 no REF NP_001099294 . "TATA-binding protein-associated factor 2N [Rattus norvegicus]" . . . . . 95.88 394 100.00 100.00 5.86e-57 . . . . 19320 1 15 no REF NP_001302693 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Sus scrofa]" . . . . . 98.97 602 97.92 97.92 5.82e-59 . . . . 19320 1 16 no REF NP_003478 . "TATA-binding protein-associated factor 2N isoform 2 [Homo sapiens]" . . . . . 98.97 589 97.92 97.92 1.25e-46 . . . . 19320 1 17 no REF NP_081703 . "TATA-binding protein-associated factor 2N [Mus musculus]" . . . . . 98.97 557 97.92 97.92 5.49e-47 . . . . 19320 1 18 no REF NP_631961 . "TATA-binding protein-associated factor 2N isoform 1 [Homo sapiens]" . . . . . 98.97 592 97.92 97.92 5.24e-59 . . . . 19320 1 19 no SP Q92804 . "RecName: Full=TATA-binding protein-associated factor 2N; AltName: Full=68 kDa TATA-binding protein-associated factor; Short=TAF" . . . . . 98.97 592 97.92 97.92 5.24e-59 . . . . 19320 1 20 no TPG DAA19087 . "TPA: TBP-associated factor 15-like [Bos taurus]" . . . . . 98.97 591 97.92 97.92 1.27e-46 . . . . 19320 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA binding' 19320 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19320 1 2 . SER . 19320 1 3 . HIS . 19320 1 4 . MET . 19320 1 5 . SER . 19320 1 6 . ASP . 19320 1 7 . ASN . 19320 1 8 . ASN . 19320 1 9 . THR . 19320 1 10 . ILE . 19320 1 11 . PHE . 19320 1 12 . VAL . 19320 1 13 . GLN . 19320 1 14 . GLY . 19320 1 15 . LEU . 19320 1 16 . GLY . 19320 1 17 . GLU . 19320 1 18 . GLY . 19320 1 19 . VAL . 19320 1 20 . SER . 19320 1 21 . THR . 19320 1 22 . ASP . 19320 1 23 . GLN . 19320 1 24 . VAL . 19320 1 25 . GLY . 19320 1 26 . GLU . 19320 1 27 . PHE . 19320 1 28 . PHE . 19320 1 29 . LYS . 19320 1 30 . GLN . 19320 1 31 . ILE . 19320 1 32 . GLY . 19320 1 33 . ILE . 19320 1 34 . ILE . 19320 1 35 . LYS . 19320 1 36 . THR . 19320 1 37 . ASN . 19320 1 38 . LYS . 19320 1 39 . LYS . 19320 1 40 . THR . 19320 1 41 . GLY . 19320 1 42 . LYS . 19320 1 43 . PRO . 19320 1 44 . MET . 19320 1 45 . ILE . 19320 1 46 . ASN . 19320 1 47 . LEU . 19320 1 48 . TYR . 19320 1 49 . THR . 19320 1 50 . ASP . 19320 1 51 . LYS . 19320 1 52 . ASP . 19320 1 53 . THR . 19320 1 54 . GLY . 19320 1 55 . LYS . 19320 1 56 . PRO . 19320 1 57 . LYS . 19320 1 58 . GLY . 19320 1 59 . GLU . 19320 1 60 . ALA . 19320 1 61 . THR . 19320 1 62 . VAL . 19320 1 63 . SER . 19320 1 64 . PHE . 19320 1 65 . ASP . 19320 1 66 . ASP . 19320 1 67 . PRO . 19320 1 68 . PRO . 19320 1 69 . SER . 19320 1 70 . ALA . 19320 1 71 . LYS . 19320 1 72 . ALA . 19320 1 73 . ALA . 19320 1 74 . ILE . 19320 1 75 . ASP . 19320 1 76 . TRP . 19320 1 77 . PHE . 19320 1 78 . ASP . 19320 1 79 . GLY . 19320 1 80 . LYS . 19320 1 81 . GLU . 19320 1 82 . PHE . 19320 1 83 . HIS . 19320 1 84 . GLY . 19320 1 85 . ASN . 19320 1 86 . ILE . 19320 1 87 . ILE . 19320 1 88 . LYS . 19320 1 89 . VAL . 19320 1 90 . SER . 19320 1 91 . PHE . 19320 1 92 . ALA . 19320 1 93 . THR . 19320 1 94 . ARG . 19320 1 95 . ARG . 19320 1 96 . PRO . 19320 1 97 . GLU . 19320 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19320 1 . SER 2 2 19320 1 . HIS 3 3 19320 1 . MET 4 4 19320 1 . SER 5 5 19320 1 . ASP 6 6 19320 1 . ASN 7 7 19320 1 . ASN 8 8 19320 1 . THR 9 9 19320 1 . ILE 10 10 19320 1 . PHE 11 11 19320 1 . VAL 12 12 19320 1 . GLN 13 13 19320 1 . GLY 14 14 19320 1 . LEU 15 15 19320 1 . GLY 16 16 19320 1 . GLU 17 17 19320 1 . GLY 18 18 19320 1 . VAL 19 19 19320 1 . SER 20 20 19320 1 . THR 21 21 19320 1 . ASP 22 22 19320 1 . GLN 23 23 19320 1 . VAL 24 24 19320 1 . GLY 25 25 19320 1 . GLU 26 26 19320 1 . PHE 27 27 19320 1 . PHE 28 28 19320 1 . LYS 29 29 19320 1 . GLN 30 30 19320 1 . ILE 31 31 19320 1 . GLY 32 32 19320 1 . ILE 33 33 19320 1 . ILE 34 34 19320 1 . LYS 35 35 19320 1 . THR 36 36 19320 1 . ASN 37 37 19320 1 . LYS 38 38 19320 1 . LYS 39 39 19320 1 . THR 40 40 19320 1 . GLY 41 41 19320 1 . LYS 42 42 19320 1 . PRO 43 43 19320 1 . MET 44 44 19320 1 . ILE 45 45 19320 1 . ASN 46 46 19320 1 . LEU 47 47 19320 1 . TYR 48 48 19320 1 . THR 49 49 19320 1 . ASP 50 50 19320 1 . LYS 51 51 19320 1 . ASP 52 52 19320 1 . THR 53 53 19320 1 . GLY 54 54 19320 1 . LYS 55 55 19320 1 . PRO 56 56 19320 1 . LYS 57 57 19320 1 . GLY 58 58 19320 1 . GLU 59 59 19320 1 . ALA 60 60 19320 1 . THR 61 61 19320 1 . VAL 62 62 19320 1 . SER 63 63 19320 1 . PHE 64 64 19320 1 . ASP 65 65 19320 1 . ASP 66 66 19320 1 . PRO 67 67 19320 1 . PRO 68 68 19320 1 . SER 69 69 19320 1 . ALA 70 70 19320 1 . LYS 71 71 19320 1 . ALA 72 72 19320 1 . ALA 73 73 19320 1 . ILE 74 74 19320 1 . ASP 75 75 19320 1 . TRP 76 76 19320 1 . PHE 77 77 19320 1 . ASP 78 78 19320 1 . GLY 79 79 19320 1 . LYS 80 80 19320 1 . GLU 81 81 19320 1 . PHE 82 82 19320 1 . HIS 83 83 19320 1 . GLY 84 84 19320 1 . ASN 85 85 19320 1 . ILE 86 86 19320 1 . ILE 87 87 19320 1 . LYS 88 88 19320 1 . VAL 89 89 19320 1 . SER 90 90 19320 1 . PHE 91 91 19320 1 . ALA 92 92 19320 1 . THR 93 93 19320 1 . ARG 94 94 19320 1 . ARG 95 95 19320 1 . PRO 96 96 19320 1 . GLU 97 97 19320 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 19320 _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 $Taf15 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19320 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 19320 _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 $Taf15 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate buffer, pH=6.2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Taf15 '[U-100% 13C; U-100% 15N]' . . 1 $Taf15 . . 1 . . mM . . . . 19320 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19320 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19320 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19320 _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 'ionic strength' 0.05 . M 19320 1 pH 6.2 . pH 19320 1 pressure 1 . atm 19320 1 temperature 298 . K 19320 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19320 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19320 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19320 _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 spectrometer_1 Bruker Avance . 500 . . . 19320 1 2 spectrometer_2 Bruker Avance . 700 . . . 19320 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 19320 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19320 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19320 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19320 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19320 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19320 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19320 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19320 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19320 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19320 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19320 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 19320 1 2 '2D 1H-13C HSQC aliphatic' . . . 19320 1 3 '2D 1H-13C HSQC aromatic' . . . 19320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.905 0.020 . 1 . . . . 1 GLY HA2 . 19320 1 2 . 1 1 1 1 GLY HA3 H 1 3.905 0.020 . 1 . . . . 1 GLY HA3 . 19320 1 3 . 1 1 1 1 GLY C C 13 170.340 0.3 . 1 . . . . 1 GLY C . 19320 1 4 . 1 1 1 1 GLY CA C 13 43.388 0.3 . 1 . . . . 1 GLY CA . 19320 1 5 . 1 1 2 2 SER H H 1 8.741 0.020 . 1 . . . . 2 SER H . 19320 1 6 . 1 1 2 2 SER HA H 1 4.472 0.020 . 1 . . . . 2 SER HA . 19320 1 7 . 1 1 2 2 SER HB2 H 1 3.800 0.020 . 1 . . . . 2 SER HB2 . 19320 1 8 . 1 1 2 2 SER HB3 H 1 3.800 0.020 . 1 . . . . 2 SER HB3 . 19320 1 9 . 1 1 2 2 SER C C 13 174.370 0.3 . 1 . . . . 2 SER C . 19320 1 10 . 1 1 2 2 SER CA C 13 58.269 0.3 . 1 . . . . 2 SER CA . 19320 1 11 . 1 1 2 2 SER CB C 13 64.033 0.3 . 1 . . . . 2 SER CB . 19320 1 12 . 1 1 2 2 SER N N 15 115.657 0.3 . 1 . . . . 2 SER N . 19320 1 13 . 1 1 3 3 HIS H H 1 8.789 0.020 . 1 . . . . 3 HIS H . 19320 1 14 . 1 1 3 3 HIS HA H 1 4.737 0.020 . 1 . . . . 3 HIS HA . 19320 1 15 . 1 1 3 3 HIS HB2 H 1 3.329 0.020 . 2 . . . . 3 HIS HB2 . 19320 1 16 . 1 1 3 3 HIS HB3 H 1 3.170 0.020 . 2 . . . . 3 HIS HB3 . 19320 1 17 . 1 1 3 3 HIS HD2 H 1 7.279 0.020 . 1 . . . . 3 HIS HD2 . 19320 1 18 . 1 1 3 3 HIS HE1 H 1 8.517 0.020 . 1 . . . . 3 HIS HE1 . 19320 1 19 . 1 1 3 3 HIS C C 13 174.694 0.3 . 1 . . . . 3 HIS C . 19320 1 20 . 1 1 3 3 HIS CA C 13 55.592 0.3 . 1 . . . . 3 HIS CA . 19320 1 21 . 1 1 3 3 HIS CB C 13 28.910 0.3 . 1 . . . . 3 HIS CB . 19320 1 22 . 1 1 3 3 HIS CD2 C 13 120.159 0.3 . 1 . . . . 3 HIS CD2 . 19320 1 23 . 1 1 3 3 HIS CE1 C 13 136.663 0.3 . 1 . . . . 3 HIS CE1 . 19320 1 24 . 1 1 3 3 HIS N N 15 120.853 0.3 . 1 . . . . 3 HIS N . 19320 1 25 . 1 1 4 4 MET H H 1 8.530 0.020 . 1 . . . . 4 MET H . 19320 1 26 . 1 1 4 4 MET HA H 1 4.422 0.020 . 1 . . . . 4 MET HA . 19320 1 27 . 1 1 4 4 MET HB2 H 1 2.028 0.020 . 1 . . . . 4 MET HB2 . 19320 1 28 . 1 1 4 4 MET HB3 H 1 2.028 0.020 . 1 . . . . 4 MET HB3 . 19320 1 29 . 1 1 4 4 MET HG2 H 1 2.501 0.020 . 1 . . . . 4 MET HG2 . 19320 1 30 . 1 1 4 4 MET HG3 H 1 2.501 0.020 . 1 . . . . 4 MET HG3 . 19320 1 31 . 1 1 4 4 MET C C 13 176.320 0.3 . 1 . . . . 4 MET C . 19320 1 32 . 1 1 4 4 MET CA C 13 56.018 0.3 . 1 . . . . 4 MET CA . 19320 1 33 . 1 1 4 4 MET CB C 13 32.886 0.3 . 1 . . . . 4 MET CB . 19320 1 34 . 1 1 4 4 MET CG C 13 29.697 0.3 . 1 . . . . 4 MET CG . 19320 1 35 . 1 1 4 4 MET N N 15 121.827 0.3 . 1 . . . . 4 MET N . 19320 1 36 . 1 1 5 5 SER H H 1 8.388 0.020 . 1 . . . . 5 SER H . 19320 1 37 . 1 1 5 5 SER HA H 1 4.419 0.020 . 1 . . . . 5 SER HA . 19320 1 38 . 1 1 5 5 SER HB2 H 1 3.830 0.020 . 1 . . . . 5 SER HB2 . 19320 1 39 . 1 1 5 5 SER HB3 H 1 3.830 0.020 . 1 . . . . 5 SER HB3 . 19320 1 40 . 1 1 5 5 SER C C 13 174.081 0.3 . 1 . . . . 5 SER C . 19320 1 41 . 1 1 5 5 SER CA C 13 58.409 0.3 . 1 . . . . 5 SER CA . 19320 1 42 . 1 1 5 5 SER CB C 13 63.898 0.3 . 1 . . . . 5 SER CB . 19320 1 43 . 1 1 5 5 SER N N 15 116.420 0.3 . 1 . . . . 5 SER N . 19320 1 44 . 1 1 6 6 ASP H H 1 8.235 0.020 . 1 . . . . 6 ASP H . 19320 1 45 . 1 1 6 6 ASP HA H 1 4.556 0.020 . 1 . . . . 6 ASP HA . 19320 1 46 . 1 1 6 6 ASP HB2 H 1 2.652 0.020 . 1 . . . . 6 ASP HB2 . 19320 1 47 . 1 1 6 6 ASP HB3 H 1 2.652 0.020 . 1 . . . . 6 ASP HB3 . 19320 1 48 . 1 1 6 6 ASP C C 13 175.424 0.3 . 1 . . . . 6 ASP C . 19320 1 49 . 1 1 6 6 ASP CA C 13 53.984 0.3 . 1 . . . . 6 ASP CA . 19320 1 50 . 1 1 6 6 ASP CB C 13 41.135 0.3 . 1 . . . . 6 ASP CB . 19320 1 51 . 1 1 6 6 ASP N N 15 122.076 0.3 . 1 . . . . 6 ASP N . 19320 1 52 . 1 1 7 7 ASN H H 1 8.250 0.020 . 1 . . . . 7 ASN H . 19320 1 53 . 1 1 7 7 ASN HA H 1 4.588 0.020 . 1 . . . . 7 ASN HA . 19320 1 54 . 1 1 7 7 ASN HB2 H 1 2.703 0.020 . 2 . . . . 7 ASN HB2 . 19320 1 55 . 1 1 7 7 ASN HB3 H 1 2.534 0.020 . 2 . . . . 7 ASN HB3 . 19320 1 56 . 1 1 7 7 ASN HD21 H 1 7.399 0.020 . 1 . . . . 7 ASN HD21 . 19320 1 57 . 1 1 7 7 ASN HD22 H 1 6.998 0.020 . 1 . . . . 7 ASN HD22 . 19320 1 58 . 1 1 7 7 ASN C C 13 174.411 0.3 . 1 . . . . 7 ASN C . 19320 1 59 . 1 1 7 7 ASN CA C 13 53.469 0.3 . 1 . . . . 7 ASN CA . 19320 1 60 . 1 1 7 7 ASN CB C 13 38.377 0.3 . 1 . . . . 7 ASN CB . 19320 1 61 . 1 1 7 7 ASN N N 15 119.610 0.3 . 1 . . . . 7 ASN N . 19320 1 62 . 1 1 7 7 ASN ND2 N 15 110.891 0.3 . 1 . . . . 7 ASN ND2 . 19320 1 63 . 1 1 8 8 ASN H H 1 8.363 0.020 . 1 . . . . 8 ASN H . 19320 1 64 . 1 1 8 8 ASN HA H 1 4.924 0.020 . 1 . . . . 8 ASN HA . 19320 1 65 . 1 1 8 8 ASN HB2 H 1 3.563 0.020 . 2 . . . . 8 ASN HB2 . 19320 1 66 . 1 1 8 8 ASN HB3 H 1 2.548 0.020 . 2 . . . . 8 ASN HB3 . 19320 1 67 . 1 1 8 8 ASN HD21 H 1 7.653 0.020 . 1 . . . . 8 ASN HD21 . 19320 1 68 . 1 1 8 8 ASN HD22 H 1 7.279 0.020 . 1 . . . . 8 ASN HD22 . 19320 1 69 . 1 1 8 8 ASN C C 13 175.236 0.3 . 1 . . . . 8 ASN C . 19320 1 70 . 1 1 8 8 ASN CA C 13 53.208 0.3 . 1 . . . . 8 ASN CA . 19320 1 71 . 1 1 8 8 ASN CB C 13 38.633 0.3 . 1 . . . . 8 ASN CB . 19320 1 72 . 1 1 8 8 ASN N N 15 119.188 0.3 . 1 . . . . 8 ASN N . 19320 1 73 . 1 1 8 8 ASN ND2 N 15 114.335 0.3 . 1 . . . . 8 ASN ND2 . 19320 1 74 . 1 1 9 9 THR H H 1 8.478 0.020 . 1 . . . . 9 THR H . 19320 1 75 . 1 1 9 9 THR HA H 1 5.560 0.020 . 1 . . . . 9 THR HA . 19320 1 76 . 1 1 9 9 THR HB H 1 4.146 0.020 . 1 . . . . 9 THR HB . 19320 1 77 . 1 1 9 9 THR HG21 H 1 1.170 0.020 . 1 . . . . 9 THR HG2 . 19320 1 78 . 1 1 9 9 THR HG22 H 1 1.170 0.020 . 1 . . . . 9 THR HG2 . 19320 1 79 . 1 1 9 9 THR HG23 H 1 1.170 0.020 . 1 . . . . 9 THR HG2 . 19320 1 80 . 1 1 9 9 THR C C 13 173.657 0.3 . 1 . . . . 9 THR C . 19320 1 81 . 1 1 9 9 THR CA C 13 62.250 0.3 . 1 . . . . 9 THR CA . 19320 1 82 . 1 1 9 9 THR CB C 13 71.672 0.3 . 1 . . . . 9 THR CB . 19320 1 83 . 1 1 9 9 THR CG2 C 13 21.071 0.3 . 1 . . . . 9 THR CG2 . 19320 1 84 . 1 1 9 9 THR N N 15 118.725 0.3 . 1 . . . . 9 THR N . 19320 1 85 . 1 1 10 10 ILE H H 1 8.891 0.020 . 1 . . . . 10 ILE H . 19320 1 86 . 1 1 10 10 ILE HA H 1 5.216 0.020 . 1 . . . . 10 ILE HA . 19320 1 87 . 1 1 10 10 ILE HB H 1 1.849 0.020 . 1 . . . . 10 ILE HB . 19320 1 88 . 1 1 10 10 ILE HG12 H 1 1.251 0.020 . 1 . . . . 10 ILE HG12 . 19320 1 89 . 1 1 10 10 ILE HG13 H 1 1.251 0.020 . 1 . . . . 10 ILE HG13 . 19320 1 90 . 1 1 10 10 ILE HG21 H 1 0.848 0.020 . 1 . . . . 10 ILE HG2 . 19320 1 91 . 1 1 10 10 ILE HG22 H 1 0.848 0.020 . 1 . . . . 10 ILE HG2 . 19320 1 92 . 1 1 10 10 ILE HG23 H 1 0.848 0.020 . 1 . . . . 10 ILE HG2 . 19320 1 93 . 1 1 10 10 ILE HD11 H 1 0.223 0.020 . 1 . . . . 10 ILE HD1 . 19320 1 94 . 1 1 10 10 ILE HD12 H 1 0.223 0.020 . 1 . . . . 10 ILE HD1 . 19320 1 95 . 1 1 10 10 ILE HD13 H 1 0.223 0.020 . 1 . . . . 10 ILE HD1 . 19320 1 96 . 1 1 10 10 ILE C C 13 173.615 0.3 . 1 . . . . 10 ILE C . 19320 1 97 . 1 1 10 10 ILE CA C 13 59.204 0.3 . 1 . . . . 10 ILE CA . 19320 1 98 . 1 1 10 10 ILE CB C 13 40.059 0.3 . 1 . . . . 10 ILE CB . 19320 1 99 . 1 1 10 10 ILE CG1 C 13 26.326 0.3 . 1 . . . . 10 ILE CG1 . 19320 1 100 . 1 1 10 10 ILE CG2 C 13 19.203 0.3 . 1 . . . . 10 ILE CG2 . 19320 1 101 . 1 1 10 10 ILE CD1 C 13 14.040 0.3 . 1 . . . . 10 ILE CD1 . 19320 1 102 . 1 1 10 10 ILE N N 15 118.953 0.3 . 1 . . . . 10 ILE N . 19320 1 103 . 1 1 11 11 PHE H H 1 9.572 0.020 . 1 . . . . 11 PHE H . 19320 1 104 . 1 1 11 11 PHE HA H 1 5.454 0.020 . 1 . . . . 11 PHE HA . 19320 1 105 . 1 1 11 11 PHE HB2 H 1 2.835 0.020 . 2 . . . . 11 PHE HB2 . 19320 1 106 . 1 1 11 11 PHE HB3 H 1 2.722 0.020 . 2 . . . . 11 PHE HB3 . 19320 1 107 . 1 1 11 11 PHE HD1 H 1 7.354 0.020 . 1 . . . . 11 PHE HD1 . 19320 1 108 . 1 1 11 11 PHE HD2 H 1 7.354 0.020 . 1 . . . . 11 PHE HD2 . 19320 1 109 . 1 1 11 11 PHE HE1 H 1 7.137 0.020 . 1 . . . . 11 PHE HE1 . 19320 1 110 . 1 1 11 11 PHE HE2 H 1 7.137 0.020 . 1 . . . . 11 PHE HE2 . 19320 1 111 . 1 1 11 11 PHE C C 13 173.482 0.3 . 1 . . . . 11 PHE C . 19320 1 112 . 1 1 11 11 PHE CA C 13 55.035 0.3 . 1 . . . . 11 PHE CA . 19320 1 113 . 1 1 11 11 PHE CB C 13 41.626 0.3 . 1 . . . . 11 PHE CB . 19320 1 114 . 1 1 11 11 PHE CD1 C 13 131.878 0.3 . 1 . . . . 11 PHE CD1 . 19320 1 115 . 1 1 11 11 PHE CD2 C 13 131.878 0.3 . 1 . . . . 11 PHE CD2 . 19320 1 116 . 1 1 11 11 PHE CE1 C 13 131.295 0.3 . 1 . . . . 11 PHE CE1 . 19320 1 117 . 1 1 11 11 PHE CE2 C 13 131.295 0.3 . 1 . . . . 11 PHE CE2 . 19320 1 118 . 1 1 11 11 PHE N N 15 123.730 0.3 . 1 . . . . 11 PHE N . 19320 1 119 . 1 1 12 12 VAL H H 1 9.080 0.020 . 1 . . . . 12 VAL H . 19320 1 120 . 1 1 12 12 VAL HA H 1 4.991 0.020 . 1 . . . . 12 VAL HA . 19320 1 121 . 1 1 12 12 VAL HB H 1 1.693 0.020 . 1 . . . . 12 VAL HB . 19320 1 122 . 1 1 12 12 VAL HG11 H 1 0.865 0.020 . 2 . . . . 12 VAL HG1 . 19320 1 123 . 1 1 12 12 VAL HG12 H 1 0.865 0.020 . 2 . . . . 12 VAL HG1 . 19320 1 124 . 1 1 12 12 VAL HG13 H 1 0.865 0.020 . 2 . . . . 12 VAL HG1 . 19320 1 125 . 1 1 12 12 VAL HG21 H 1 0.704 0.020 . 2 . . . . 12 VAL HG2 . 19320 1 126 . 1 1 12 12 VAL HG22 H 1 0.704 0.020 . 2 . . . . 12 VAL HG2 . 19320 1 127 . 1 1 12 12 VAL HG23 H 1 0.704 0.020 . 2 . . . . 12 VAL HG2 . 19320 1 128 . 1 1 12 12 VAL C C 13 173.350 0.3 . 1 . . . . 12 VAL C . 19320 1 129 . 1 1 12 12 VAL CA C 13 59.712 0.3 . 1 . . . . 12 VAL CA . 19320 1 130 . 1 1 12 12 VAL CB C 13 34.520 0.3 . 1 . . . . 12 VAL CB . 19320 1 131 . 1 1 12 12 VAL CG1 C 13 22.020 0.3 . 1 . . . . 12 VAL CG1 . 19320 1 132 . 1 1 12 12 VAL CG2 C 13 21.775 0.3 . 1 . . . . 12 VAL CG2 . 19320 1 133 . 1 1 12 12 VAL N N 15 128.193 0.3 . 1 . . . . 12 VAL N . 19320 1 134 . 1 1 13 13 GLN H H 1 8.846 0.020 . 1 . . . . 13 GLN H . 19320 1 135 . 1 1 13 13 GLN HA H 1 4.783 0.020 . 1 . . . . 13 GLN HA . 19320 1 136 . 1 1 13 13 GLN HB2 H 1 1.567 0.020 . 1 . . . . 13 GLN HB2 . 19320 1 137 . 1 1 13 13 GLN HB3 H 1 1.567 0.020 . 1 . . . . 13 GLN HB3 . 19320 1 138 . 1 1 13 13 GLN HG2 H 1 1.945 0.020 . 1 . . . . 13 GLN HG2 . 19320 1 139 . 1 1 13 13 GLN HG3 H 1 1.945 0.020 . 1 . . . . 13 GLN HG3 . 19320 1 140 . 1 1 13 13 GLN HE21 H 1 7.956 0.020 . 1 . . . . 13 GLN HE21 . 19320 1 141 . 1 1 13 13 GLN HE22 H 1 7.040 0.020 . 1 . . . . 13 GLN HE22 . 19320 1 142 . 1 1 13 13 GLN C C 13 174.906 0.3 . 1 . . . . 13 GLN C . 19320 1 143 . 1 1 13 13 GLN CA C 13 53.880 0.3 . 1 . . . . 13 GLN CA . 19320 1 144 . 1 1 13 13 GLN CB C 13 34.470 0.3 . 1 . . . . 13 GLN CB . 19320 1 145 . 1 1 13 13 GLN CG C 13 35.416 0.3 . 1 . . . . 13 GLN CG . 19320 1 146 . 1 1 13 13 GLN N N 15 122.557 0.3 . 1 . . . . 13 GLN N . 19320 1 147 . 1 1 13 13 GLN NE2 N 15 113.695 0.3 . 1 . . . . 13 GLN NE2 . 19320 1 148 . 1 1 14 14 GLY H H 1 8.343 0.020 . 1 . . . . 14 GLY H . 19320 1 149 . 1 1 14 14 GLY HA2 H 1 4.478 0.020 . 2 . . . . 14 GLY HA2 . 19320 1 150 . 1 1 14 14 GLY HA3 H 1 3.755 0.020 . 2 . . . . 14 GLY HA3 . 19320 1 151 . 1 1 14 14 GLY C C 13 174.788 0.3 . 1 . . . . 14 GLY C . 19320 1 152 . 1 1 14 14 GLY CA C 13 45.484 0.3 . 1 . . . . 14 GLY CA . 19320 1 153 . 1 1 14 14 GLY N N 15 109.248 0.3 . 1 . . . . 14 GLY N . 19320 1 154 . 1 1 15 15 LEU H H 1 8.261 0.020 . 1 . . . . 15 LEU H . 19320 1 155 . 1 1 15 15 LEU HA H 1 3.715 0.020 . 1 . . . . 15 LEU HA . 19320 1 156 . 1 1 15 15 LEU HB2 H 1 1.505 0.020 . 1 . . . . 15 LEU HB2 . 19320 1 157 . 1 1 15 15 LEU HB3 H 1 1.505 0.020 . 1 . . . . 15 LEU HB3 . 19320 1 158 . 1 1 15 15 LEU HG H 1 1.784 0.020 . 1 . . . . 15 LEU HG . 19320 1 159 . 1 1 15 15 LEU HD11 H 1 0.519 0.020 . 1 . . . . 15 LEU HD1 . 19320 1 160 . 1 1 15 15 LEU HD12 H 1 0.519 0.020 . 1 . . . . 15 LEU HD1 . 19320 1 161 . 1 1 15 15 LEU HD13 H 1 0.519 0.020 . 1 . . . . 15 LEU HD1 . 19320 1 162 . 1 1 15 15 LEU HD21 H 1 0.519 0.020 . 1 . . . . 15 LEU HD2 . 19320 1 163 . 1 1 15 15 LEU HD22 H 1 0.519 0.020 . 1 . . . . 15 LEU HD2 . 19320 1 164 . 1 1 15 15 LEU HD23 H 1 0.519 0.020 . 1 . . . . 15 LEU HD2 . 19320 1 165 . 1 1 15 15 LEU C C 13 177.097 0.3 . 1 . . . . 15 LEU C . 19320 1 166 . 1 1 15 15 LEU CA C 13 55.895 0.3 . 1 . . . . 15 LEU CA . 19320 1 167 . 1 1 15 15 LEU CB C 13 42.613 0.3 . 1 . . . . 15 LEU CB . 19320 1 168 . 1 1 15 15 LEU N N 15 116.860 0.3 . 1 . . . . 15 LEU N . 19320 1 169 . 1 1 16 16 GLY H H 1 8.038 0.020 . 1 . . . . 16 GLY H . 19320 1 170 . 1 1 16 16 GLY HA2 H 1 4.061 0.020 . 2 . . . . 16 GLY HA2 . 19320 1 171 . 1 1 16 16 GLY HA3 H 1 3.765 0.020 . 2 . . . . 16 GLY HA3 . 19320 1 172 . 1 1 16 16 GLY C C 13 172.997 0.3 . 1 . . . . 16 GLY C . 19320 1 173 . 1 1 16 16 GLY CA C 13 43.869 0.3 . 1 . . . . 16 GLY CA . 19320 1 174 . 1 1 16 16 GLY N N 15 105.038 0.3 . 1 . . . . 16 GLY N . 19320 1 175 . 1 1 17 17 GLU H H 1 8.366 0.020 . 1 . . . . 17 GLU H . 19320 1 176 . 1 1 17 17 GLU HA H 1 4.081 0.020 . 1 . . . . 17 GLU HA . 19320 1 177 . 1 1 17 17 GLU HB2 H 1 1.994 0.020 . 1 . . . . 17 GLU HB2 . 19320 1 178 . 1 1 17 17 GLU HB3 H 1 1.994 0.020 . 1 . . . . 17 GLU HB3 . 19320 1 179 . 1 1 17 17 GLU HG2 H 1 2.311 0.020 . 1 . . . . 17 GLU HG2 . 19320 1 180 . 1 1 17 17 GLU HG3 H 1 2.311 0.020 . 1 . . . . 17 GLU HG3 . 19320 1 181 . 1 1 17 17 GLU C C 13 177.875 0.3 . 1 . . . . 17 GLU C . 19320 1 182 . 1 1 17 17 GLU CA C 13 57.384 0.3 . 1 . . . . 17 GLU CA . 19320 1 183 . 1 1 17 17 GLU CB C 13 30.271 0.3 . 1 . . . . 17 GLU CB . 19320 1 184 . 1 1 17 17 GLU CG C 13 36.279 0.3 . 1 . . . . 17 GLU CG . 19320 1 185 . 1 1 17 17 GLU N N 15 117.386 0.3 . 1 . . . . 17 GLU N . 19320 1 186 . 1 1 18 18 GLY H H 1 8.719 0.020 . 1 . . . . 18 GLY H . 19320 1 187 . 1 1 18 18 GLY HA2 H 1 4.055 0.020 . 2 . . . . 18 GLY HA2 . 19320 1 188 . 1 1 18 18 GLY HA3 H 1 3.754 0.020 . 2 . . . . 18 GLY HA3 . 19320 1 189 . 1 1 18 18 GLY C C 13 174.152 0.3 . 1 . . . . 18 GLY C . 19320 1 190 . 1 1 18 18 GLY CA C 13 45.513 0.3 . 1 . . . . 18 GLY CA . 19320 1 191 . 1 1 18 18 GLY N N 15 109.145 0.3 . 1 . . . . 18 GLY N . 19320 1 192 . 1 1 19 19 VAL H H 1 7.012 0.020 . 1 . . . . 19 VAL H . 19320 1 193 . 1 1 19 19 VAL HA H 1 4.312 0.020 . 1 . . . . 19 VAL HA . 19320 1 194 . 1 1 19 19 VAL HB H 1 1.985 0.020 . 1 . . . . 19 VAL HB . 19320 1 195 . 1 1 19 19 VAL HG11 H 1 0.932 0.020 . 2 . . . . 19 VAL HG1 . 19320 1 196 . 1 1 19 19 VAL HG12 H 1 0.932 0.020 . 2 . . . . 19 VAL HG1 . 19320 1 197 . 1 1 19 19 VAL HG13 H 1 0.932 0.020 . 2 . . . . 19 VAL HG1 . 19320 1 198 . 1 1 19 19 VAL HG21 H 1 0.812 0.020 . 2 . . . . 19 VAL HG2 . 19320 1 199 . 1 1 19 19 VAL HG22 H 1 0.812 0.020 . 2 . . . . 19 VAL HG2 . 19320 1 200 . 1 1 19 19 VAL HG23 H 1 0.812 0.020 . 2 . . . . 19 VAL HG2 . 19320 1 201 . 1 1 19 19 VAL C C 13 173.115 0.3 . 1 . . . . 19 VAL C . 19320 1 202 . 1 1 19 19 VAL CA C 13 61.729 0.3 . 1 . . . . 19 VAL CA . 19320 1 203 . 1 1 19 19 VAL CB C 13 32.454 0.3 . 1 . . . . 19 VAL CB . 19320 1 204 . 1 1 19 19 VAL CG1 C 13 23.352 0.3 . 1 . . . . 19 VAL CG1 . 19320 1 205 . 1 1 19 19 VAL CG2 C 13 20.828 0.3 . 1 . . . . 19 VAL CG2 . 19320 1 206 . 1 1 19 19 VAL N N 15 119.790 0.3 . 1 . . . . 19 VAL N . 19320 1 207 . 1 1 20 20 SER H H 1 7.729 0.020 . 1 . . . . 20 SER H . 19320 1 208 . 1 1 20 20 SER HA H 1 4.961 0.020 . 1 . . . . 20 SER HA . 19320 1 209 . 1 1 20 20 SER HB2 H 1 4.376 0.020 . 2 . . . . 20 SER HB2 . 19320 1 210 . 1 1 20 20 SER HB3 H 1 3.896 0.020 . 2 . . . . 20 SER HB3 . 19320 1 211 . 1 1 20 20 SER C C 13 175.754 0.3 . 1 . . . . 20 SER C . 19320 1 212 . 1 1 20 20 SER CA C 13 55.530 0.3 . 1 . . . . 20 SER CA . 19320 1 213 . 1 1 20 20 SER CB C 13 67.168 0.3 . 1 . . . . 20 SER CB . 19320 1 214 . 1 1 20 20 SER N N 15 118.758 0.3 . 1 . . . . 20 SER N . 19320 1 215 . 1 1 21 21 THR H H 1 9.191 0.020 . 1 . . . . 21 THR H . 19320 1 216 . 1 1 21 21 THR HA H 1 4.629 0.020 . 1 . . . . 21 THR HA . 19320 1 217 . 1 1 21 21 THR HB H 1 3.640 0.020 . 1 . . . . 21 THR HB . 19320 1 218 . 1 1 21 21 THR HG21 H 1 1.280 0.020 . 1 . . . . 21 THR HG2 . 19320 1 219 . 1 1 21 21 THR HG22 H 1 1.280 0.020 . 1 . . . . 21 THR HG2 . 19320 1 220 . 1 1 21 21 THR HG23 H 1 1.280 0.020 . 1 . . . . 21 THR HG2 . 19320 1 221 . 1 1 21 21 THR C C 13 176.244 0.3 . 1 . . . . 21 THR C . 19320 1 222 . 1 1 21 21 THR CA C 13 55.667 0.3 . 1 . . . . 21 THR CA . 19320 1 223 . 1 1 21 21 THR CB C 13 67.330 0.3 . 1 . . . . 21 THR CB . 19320 1 224 . 1 1 21 21 THR CG2 C 13 22.685 0.3 . 1 . . . . 21 THR CG2 . 19320 1 225 . 1 1 21 21 THR N N 15 116.533 0.3 . 1 . . . . 21 THR N . 19320 1 226 . 1 1 22 22 ASP H H 1 8.407 0.020 . 1 . . . . 22 ASP H . 19320 1 227 . 1 1 22 22 ASP HA H 1 4.421 0.020 . 1 . . . . 22 ASP HA . 19320 1 228 . 1 1 22 22 ASP HB2 H 1 2.709 0.020 . 2 . . . . 22 ASP HB2 . 19320 1 229 . 1 1 22 22 ASP HB3 H 1 2.591 0.020 . 2 . . . . 22 ASP HB3 . 19320 1 230 . 1 1 22 22 ASP C C 13 178.584 0.3 . 1 . . . . 22 ASP C . 19320 1 231 . 1 1 22 22 ASP CA C 13 57.221 0.3 . 1 . . . . 22 ASP CA . 19320 1 232 . 1 1 22 22 ASP CB C 13 40.283 0.3 . 1 . . . . 22 ASP CB . 19320 1 233 . 1 1 22 22 ASP N N 15 120.392 0.3 . 1 . . . . 22 ASP N . 19320 1 234 . 1 1 23 23 GLN H H 1 7.725 0.020 . 1 . . . . 23 GLN H . 19320 1 235 . 1 1 23 23 GLN HA H 1 3.800 0.020 . 1 . . . . 23 GLN HA . 19320 1 236 . 1 1 23 23 GLN HB2 H 1 2.019 0.020 . 1 . . . . 23 GLN HB2 . 19320 1 237 . 1 1 23 23 GLN HB3 H 1 2.019 0.020 . 1 . . . . 23 GLN HB3 . 19320 1 238 . 1 1 23 23 GLN HG2 H 1 2.520 0.020 . 2 . . . . 23 GLN HG2 . 19320 1 239 . 1 1 23 23 GLN HG3 H 1 2.391 0.020 . 2 . . . . 23 GLN HG3 . 19320 1 240 . 1 1 23 23 GLN HE21 H 1 7.305 0.020 . 1 . . . . 23 GLN HE21 . 19320 1 241 . 1 1 23 23 GLN HE22 H 1 6.613 0.020 . 1 . . . . 23 GLN HE22 . 19320 1 242 . 1 1 23 23 GLN C C 13 180.206 0.3 . 1 . . . . 23 GLN C . 19320 1 243 . 1 1 23 23 GLN CA C 13 58.814 0.3 . 1 . . . . 23 GLN CA . 19320 1 244 . 1 1 23 23 GLN CB C 13 29.863 0.3 . 1 . . . . 23 GLN CB . 19320 1 245 . 1 1 23 23 GLN CG C 13 34.413 0.3 . 1 . . . . 23 GLN CG . 19320 1 246 . 1 1 23 23 GLN N N 15 118.673 0.3 . 1 . . . . 23 GLN N . 19320 1 247 . 1 1 23 23 GLN NE2 N 15 109.595 0.3 . 1 . . . . 23 GLN NE2 . 19320 1 248 . 1 1 24 24 VAL H H 1 7.888 0.020 . 1 . . . . 24 VAL H . 19320 1 249 . 1 1 24 24 VAL HA H 1 3.649 0.020 . 1 . . . . 24 VAL HA . 19320 1 250 . 1 1 24 24 VAL HB H 1 2.260 0.020 . 1 . . . . 24 VAL HB . 19320 1 251 . 1 1 24 24 VAL HG11 H 1 0.846 0.020 . 2 . . . . 24 VAL HG1 . 19320 1 252 . 1 1 24 24 VAL HG12 H 1 0.846 0.020 . 2 . . . . 24 VAL HG1 . 19320 1 253 . 1 1 24 24 VAL HG13 H 1 0.846 0.020 . 2 . . . . 24 VAL HG1 . 19320 1 254 . 1 1 24 24 VAL HG21 H 1 0.823 0.020 . 2 . . . . 24 VAL HG2 . 19320 1 255 . 1 1 24 24 VAL HG22 H 1 0.823 0.020 . 2 . . . . 24 VAL HG2 . 19320 1 256 . 1 1 24 24 VAL HG23 H 1 0.823 0.020 . 2 . . . . 24 VAL HG2 . 19320 1 257 . 1 1 24 24 VAL C C 13 177.870 0.3 . 1 . . . . 24 VAL C . 19320 1 258 . 1 1 24 24 VAL CA C 13 67.157 0.3 . 1 . . . . 24 VAL CA . 19320 1 259 . 1 1 24 24 VAL CB C 13 31.755 0.3 . 1 . . . . 24 VAL CB . 19320 1 260 . 1 1 24 24 VAL CG1 C 13 24.071 0.3 . 1 . . . . 24 VAL CG1 . 19320 1 261 . 1 1 24 24 VAL CG2 C 13 22.739 0.3 . 1 . . . . 24 VAL CG2 . 19320 1 262 . 1 1 24 24 VAL N N 15 120.609 0.3 . 1 . . . . 24 VAL N . 19320 1 263 . 1 1 25 25 GLY H H 1 8.705 0.020 . 1 . . . . 25 GLY H . 19320 1 264 . 1 1 25 25 GLY HA2 H 1 4.061 0.020 . 2 . . . . 25 GLY HA2 . 19320 1 265 . 1 1 25 25 GLY HA3 H 1 3.655 0.020 . 2 . . . . 25 GLY HA3 . 19320 1 266 . 1 1 25 25 GLY C C 13 175.582 0.3 . 1 . . . . 25 GLY C . 19320 1 267 . 1 1 25 25 GLY CA C 13 47.963 0.3 . 1 . . . . 25 GLY CA . 19320 1 268 . 1 1 25 25 GLY N N 15 107.321 0.3 . 1 . . . . 25 GLY N . 19320 1 269 . 1 1 26 26 GLU H H 1 8.218 0.020 . 1 . . . . 26 GLU H . 19320 1 270 . 1 1 26 26 GLU HA H 1 4.006 0.020 . 1 . . . . 26 GLU HA . 19320 1 271 . 1 1 26 26 GLU HB2 H 1 2.174 0.020 . 2 . . . . 26 GLU HB2 . 19320 1 272 . 1 1 26 26 GLU HB3 H 1 2.134 0.020 . 2 . . . . 26 GLU HB3 . 19320 1 273 . 1 1 26 26 GLU HG2 H 1 2.417 0.020 . 1 . . . . 26 GLU HG2 . 19320 1 274 . 1 1 26 26 GLU HG3 H 1 2.417 0.020 . 1 . . . . 26 GLU HG3 . 19320 1 275 . 1 1 26 26 GLU C C 13 177.595 0.3 . 1 . . . . 26 GLU C . 19320 1 276 . 1 1 26 26 GLU CA C 13 58.904 0.3 . 1 . . . . 26 GLU CA . 19320 1 277 . 1 1 26 26 GLU CB C 13 29.821 0.3 . 1 . . . . 26 GLU CB . 19320 1 278 . 1 1 26 26 GLU CG C 13 36.016 0.3 . 1 . . . . 26 GLU CG . 19320 1 279 . 1 1 26 26 GLU N N 15 119.752 0.3 . 1 . . . . 26 GLU N . 19320 1 280 . 1 1 27 27 PHE H H 1 7.593 0.020 . 1 . . . . 27 PHE H . 19320 1 281 . 1 1 27 27 PHE HA H 1 4.332 0.020 . 1 . . . . 27 PHE HA . 19320 1 282 . 1 1 27 27 PHE HB2 H 1 3.209 0.020 . 2 . . . . 27 PHE HB2 . 19320 1 283 . 1 1 27 27 PHE HB3 H 1 2.874 0.020 . 2 . . . . 27 PHE HB3 . 19320 1 284 . 1 1 27 27 PHE HD1 H 1 6.935 0.020 . 1 . . . . 27 PHE HD1 . 19320 1 285 . 1 1 27 27 PHE HD2 H 1 6.935 0.020 . 1 . . . . 27 PHE HD2 . 19320 1 286 . 1 1 27 27 PHE HE1 H 1 7.465 0.020 . 1 . . . . 27 PHE HE1 . 19320 1 287 . 1 1 27 27 PHE HE2 H 1 7.465 0.020 . 1 . . . . 27 PHE HE2 . 19320 1 288 . 1 1 27 27 PHE C C 13 177.533 0.3 . 1 . . . . 27 PHE C . 19320 1 289 . 1 1 27 27 PHE CA C 13 60.700 0.3 . 1 . . . . 27 PHE CA . 19320 1 290 . 1 1 27 27 PHE CB C 13 40.759 0.3 . 1 . . . . 27 PHE CB . 19320 1 291 . 1 1 27 27 PHE CD1 C 13 130.467 0.3 . 1 . . . . 27 PHE CD1 . 19320 1 292 . 1 1 27 27 PHE CD2 C 13 130.467 0.3 . 1 . . . . 27 PHE CD2 . 19320 1 293 . 1 1 27 27 PHE CE1 C 13 132.063 0.3 . 1 . . . . 27 PHE CE1 . 19320 1 294 . 1 1 27 27 PHE CE2 C 13 132.063 0.3 . 1 . . . . 27 PHE CE2 . 19320 1 295 . 1 1 27 27 PHE N N 15 118.576 0.3 . 1 . . . . 27 PHE N . 19320 1 296 . 1 1 28 28 PHE H H 1 7.999 0.020 . 1 . . . . 28 PHE H . 19320 1 297 . 1 1 28 28 PHE HA H 1 4.320 0.020 . 1 . . . . 28 PHE HA . 19320 1 298 . 1 1 28 28 PHE HB2 H 1 3.461 0.020 . 2 . . . . 28 PHE HB2 . 19320 1 299 . 1 1 28 28 PHE HB3 H 1 2.801 0.020 . 2 . . . . 28 PHE HB3 . 19320 1 300 . 1 1 28 28 PHE HD1 H 1 6.082 0.020 . 1 . . . . 28 PHE HD1 . 19320 1 301 . 1 1 28 28 PHE HD2 H 1 6.082 0.020 . 1 . . . . 28 PHE HD2 . 19320 1 302 . 1 1 28 28 PHE HE1 H 1 6.617 0.020 . 1 . . . . 28 PHE HE1 . 19320 1 303 . 1 1 28 28 PHE HE2 H 1 6.617 0.020 . 1 . . . . 28 PHE HE2 . 19320 1 304 . 1 1 28 28 PHE C C 13 177.182 0.3 . 1 . . . . 28 PHE C . 19320 1 305 . 1 1 28 28 PHE CA C 13 61.989 0.3 . 1 . . . . 28 PHE CA . 19320 1 306 . 1 1 28 28 PHE CB C 13 39.643 0.3 . 1 . . . . 28 PHE CB . 19320 1 307 . 1 1 28 28 PHE CD1 C 13 131.167 0.3 . 1 . . . . 28 PHE CD1 . 19320 1 308 . 1 1 28 28 PHE CD2 C 13 131.167 0.3 . 1 . . . . 28 PHE CD2 . 19320 1 309 . 1 1 28 28 PHE CE1 C 13 131.178 0.3 . 1 . . . . 28 PHE CE1 . 19320 1 310 . 1 1 28 28 PHE CE2 C 13 131.178 0.3 . 1 . . . . 28 PHE CE2 . 19320 1 311 . 1 1 28 28 PHE N N 15 112.399 0.3 . 1 . . . . 28 PHE N . 19320 1 312 . 1 1 29 29 LYS H H 1 8.142 0.020 . 1 . . . . 29 LYS H . 19320 1 313 . 1 1 29 29 LYS HA H 1 4.828 0.020 . 1 . . . . 29 LYS HA . 19320 1 314 . 1 1 29 29 LYS HB2 H 1 2.139 0.020 . 2 . . . . 29 LYS HB2 . 19320 1 315 . 1 1 29 29 LYS HB3 H 1 1.995 0.020 . 2 . . . . 29 LYS HB3 . 19320 1 316 . 1 1 29 29 LYS HG2 H 1 1.324 0.020 . 1 . . . . 29 LYS HG2 . 19320 1 317 . 1 1 29 29 LYS HG3 H 1 1.324 0.020 . 1 . . . . 29 LYS HG3 . 19320 1 318 . 1 1 29 29 LYS HD2 H 1 1.691 0.020 . 1 . . . . 29 LYS HD2 . 19320 1 319 . 1 1 29 29 LYS HD3 H 1 1.691 0.020 . 1 . . . . 29 LYS HD3 . 19320 1 320 . 1 1 29 29 LYS HE2 H 1 2.976 0.020 . 1 . . . . 29 LYS HE2 . 19320 1 321 . 1 1 29 29 LYS HE3 H 1 2.976 0.020 . 1 . . . . 29 LYS HE3 . 19320 1 322 . 1 1 29 29 LYS C C 13 176.832 0.3 . 1 . . . . 29 LYS C . 19320 1 323 . 1 1 29 29 LYS CA C 13 58.302 0.3 . 1 . . . . 29 LYS CA . 19320 1 324 . 1 1 29 29 LYS CB C 13 31.465 0.3 . 1 . . . . 29 LYS CB . 19320 1 325 . 1 1 29 29 LYS CG C 13 24.225 0.3 . 1 . . . . 29 LYS CG . 19320 1 326 . 1 1 29 29 LYS CD C 13 30.068 0.3 . 1 . . . . 29 LYS CD . 19320 1 327 . 1 1 29 29 LYS CE C 13 41.948 0.3 . 1 . . . . 29 LYS CE . 19320 1 328 . 1 1 29 29 LYS N N 15 119.345 0.3 . 1 . . . . 29 LYS N . 19320 1 329 . 1 1 30 30 GLN H H 1 7.479 0.020 . 1 . . . . 30 GLN H . 19320 1 330 . 1 1 30 30 GLN HA H 1 4.121 0.020 . 1 . . . . 30 GLN HA . 19320 1 331 . 1 1 30 30 GLN HB2 H 1 2.122 0.020 . 2 . . . . 30 GLN HB2 . 19320 1 332 . 1 1 30 30 GLN HB3 H 1 1.999 0.020 . 2 . . . . 30 GLN HB3 . 19320 1 333 . 1 1 30 30 GLN HG2 H 1 2.444 0.020 . 2 . . . . 30 GLN HG2 . 19320 1 334 . 1 1 30 30 GLN HG3 H 1 2.300 0.020 . 2 . . . . 30 GLN HG3 . 19320 1 335 . 1 1 30 30 GLN HE21 H 1 7.554 0.020 . 1 . . . . 30 GLN HE21 . 19320 1 336 . 1 1 30 30 GLN HE22 H 1 6.744 0.020 . 1 . . . . 30 GLN HE22 . 19320 1 337 . 1 1 30 30 GLN C C 13 176.722 0.3 . 1 . . . . 30 GLN C . 19320 1 338 . 1 1 30 30 GLN CA C 13 57.617 0.3 . 1 . . . . 30 GLN CA . 19320 1 339 . 1 1 30 30 GLN CB C 13 30.016 0.3 . 1 . . . . 30 GLN CB . 19320 1 340 . 1 1 30 30 GLN CG C 13 34.413 0.3 . 1 . . . . 30 GLN CG . 19320 1 341 . 1 1 30 30 GLN N N 15 115.545 0.3 . 1 . . . . 30 GLN N . 19320 1 342 . 1 1 30 30 GLN NE2 N 15 111.959 0.3 . 1 . . . . 30 GLN NE2 . 19320 1 343 . 1 1 31 31 ILE H H 1 7.777 0.020 . 1 . . . . 31 ILE H . 19320 1 344 . 1 1 31 31 ILE HA H 1 4.183 0.020 . 1 . . . . 31 ILE HA . 19320 1 345 . 1 1 31 31 ILE HB H 1 1.917 0.020 . 1 . . . . 31 ILE HB . 19320 1 346 . 1 1 31 31 ILE HG12 H 1 1.358 0.020 . 2 . . . . 31 ILE HG12 . 19320 1 347 . 1 1 31 31 ILE HG13 H 1 1.226 0.020 . 2 . . . . 31 ILE HG13 . 19320 1 348 . 1 1 31 31 ILE HG21 H 1 0.776 0.020 . 1 . . . . 31 ILE HG2 . 19320 1 349 . 1 1 31 31 ILE HG22 H 1 0.776 0.020 . 1 . . . . 31 ILE HG2 . 19320 1 350 . 1 1 31 31 ILE HG23 H 1 0.776 0.020 . 1 . . . . 31 ILE HG2 . 19320 1 351 . 1 1 31 31 ILE HD11 H 1 0.360 0.020 . 1 . . . . 31 ILE HD1 . 19320 1 352 . 1 1 31 31 ILE HD12 H 1 0.360 0.020 . 1 . . . . 31 ILE HD1 . 19320 1 353 . 1 1 31 31 ILE HD13 H 1 0.360 0.020 . 1 . . . . 31 ILE HD1 . 19320 1 354 . 1 1 31 31 ILE C C 13 175.046 0.3 . 1 . . . . 31 ILE C . 19320 1 355 . 1 1 31 31 ILE CA C 13 58.618 0.3 . 1 . . . . 31 ILE CA . 19320 1 356 . 1 1 31 31 ILE CB C 13 39.756 0.3 . 1 . . . . 31 ILE CB . 19320 1 357 . 1 1 31 31 ILE CG1 C 13 29.331 0.3 . 1 . . . . 31 ILE CG1 . 19320 1 358 . 1 1 31 31 ILE CG2 C 13 19.227 0.3 . 1 . . . . 31 ILE CG2 . 19320 1 359 . 1 1 31 31 ILE CD1 C 13 11.834 0.3 . 1 . . . . 31 ILE CD1 . 19320 1 360 . 1 1 31 31 ILE N N 15 116.070 0.3 . 1 . . . . 31 ILE N . 19320 1 361 . 1 1 32 32 GLY H H 1 7.351 0.020 . 1 . . . . 32 GLY H . 19320 1 362 . 1 1 32 32 GLY HA2 H 1 4.082 0.020 . 2 . . . . 32 GLY HA2 . 19320 1 363 . 1 1 32 32 GLY HA3 H 1 3.932 0.020 . 2 . . . . 32 GLY HA3 . 19320 1 364 . 1 1 32 32 GLY C C 13 170.278 0.3 . 1 . . . . 32 GLY C . 19320 1 365 . 1 1 32 32 GLY CA C 13 45.062 0.3 . 1 . . . . 32 GLY CA . 19320 1 366 . 1 1 32 32 GLY N N 15 107.158 0.3 . 1 . . . . 32 GLY N . 19320 1 367 . 1 1 33 33 ILE H H 1 8.109 0.020 . 1 . . . . 33 ILE H . 19320 1 368 . 1 1 33 33 ILE HA H 1 4.095 0.020 . 1 . . . . 33 ILE HA . 19320 1 369 . 1 1 33 33 ILE HB H 1 1.822 0.020 . 1 . . . . 33 ILE HB . 19320 1 370 . 1 1 33 33 ILE HG12 H 1 1.688 0.020 . 2 . . . . 33 ILE HG12 . 19320 1 371 . 1 1 33 33 ILE HG13 H 1 1.295 0.020 . 2 . . . . 33 ILE HG13 . 19320 1 372 . 1 1 33 33 ILE HG21 H 1 0.900 0.020 . 1 . . . . 33 ILE HG2 . 19320 1 373 . 1 1 33 33 ILE HG22 H 1 0.900 0.020 . 1 . . . . 33 ILE HG2 . 19320 1 374 . 1 1 33 33 ILE HG23 H 1 0.900 0.020 . 1 . . . . 33 ILE HG2 . 19320 1 375 . 1 1 33 33 ILE HD11 H 1 0.925 0.020 . 1 . . . . 33 ILE HD1 . 19320 1 376 . 1 1 33 33 ILE HD12 H 1 0.925 0.020 . 1 . . . . 33 ILE HD1 . 19320 1 377 . 1 1 33 33 ILE HD13 H 1 0.925 0.020 . 1 . . . . 33 ILE HD1 . 19320 1 378 . 1 1 33 33 ILE C C 13 177.313 0.3 . 1 . . . . 33 ILE C . 19320 1 379 . 1 1 33 33 ILE CA C 13 61.573 0.3 . 1 . . . . 33 ILE CA . 19320 1 380 . 1 1 33 33 ILE CB C 13 38.714 0.3 . 1 . . . . 33 ILE CB . 19320 1 381 . 1 1 33 33 ILE CG1 C 13 27.991 0.3 . 1 . . . . 33 ILE CG1 . 19320 1 382 . 1 1 33 33 ILE CG2 C 13 17.712 0.3 . 1 . . . . 33 ILE CG2 . 19320 1 383 . 1 1 33 33 ILE CD1 C 13 12.280 0.3 . 1 . . . . 33 ILE CD1 . 19320 1 384 . 1 1 33 33 ILE N N 15 117.513 0.3 . 1 . . . . 33 ILE N . 19320 1 385 . 1 1 34 34 ILE H H 1 8.774 0.020 . 1 . . . . 34 ILE H . 19320 1 386 . 1 1 34 34 ILE HA H 1 3.810 0.020 . 1 . . . . 34 ILE HA . 19320 1 387 . 1 1 34 34 ILE HB H 1 1.676 0.020 . 1 . . . . 34 ILE HB . 19320 1 388 . 1 1 34 34 ILE HG12 H 1 0.517 0.020 . 1 . . . . 34 ILE HG12 . 19320 1 389 . 1 1 34 34 ILE HG13 H 1 0.517 0.020 . 1 . . . . 34 ILE HG13 . 19320 1 390 . 1 1 34 34 ILE HG21 H 1 0.831 0.020 . 1 . . . . 34 ILE HG2 . 19320 1 391 . 1 1 34 34 ILE HG22 H 1 0.831 0.020 . 1 . . . . 34 ILE HG2 . 19320 1 392 . 1 1 34 34 ILE HG23 H 1 0.831 0.020 . 1 . . . . 34 ILE HG2 . 19320 1 393 . 1 1 34 34 ILE HD11 H 1 0.771 0.020 . 1 . . . . 34 ILE HD1 . 19320 1 394 . 1 1 34 34 ILE HD12 H 1 0.771 0.020 . 1 . . . . 34 ILE HD1 . 19320 1 395 . 1 1 34 34 ILE HD13 H 1 0.771 0.020 . 1 . . . . 34 ILE HD1 . 19320 1 396 . 1 1 34 34 ILE C C 13 175.678 0.3 . 1 . . . . 34 ILE C . 19320 1 397 . 1 1 34 34 ILE CA C 13 61.615 0.3 . 1 . . . . 34 ILE CA . 19320 1 398 . 1 1 34 34 ILE CB C 13 37.932 0.3 . 1 . . . . 34 ILE CB . 19320 1 399 . 1 1 34 34 ILE CG1 C 13 28.804 0.3 . 1 . . . . 34 ILE CG1 . 19320 1 400 . 1 1 34 34 ILE CG2 C 13 16.754 0.3 . 1 . . . . 34 ILE CG2 . 19320 1 401 . 1 1 34 34 ILE CD1 C 13 13.815 0.3 . 1 . . . . 34 ILE CD1 . 19320 1 402 . 1 1 34 34 ILE N N 15 132.012 0.3 . 1 . . . . 34 ILE N . 19320 1 403 . 1 1 35 35 LYS H H 1 8.727 0.020 . 1 . . . . 35 LYS H . 19320 1 404 . 1 1 35 35 LYS HA H 1 4.079 0.020 . 1 . . . . 35 LYS HA . 19320 1 405 . 1 1 35 35 LYS HB2 H 1 1.487 0.020 . 2 . . . . 35 LYS HB2 . 19320 1 406 . 1 1 35 35 LYS HB3 H 1 1.158 0.020 . 2 . . . . 35 LYS HB3 . 19320 1 407 . 1 1 35 35 LYS HG2 H 1 1.146 0.020 . 1 . . . . 35 LYS HG2 . 19320 1 408 . 1 1 35 35 LYS HG3 H 1 1.146 0.020 . 1 . . . . 35 LYS HG3 . 19320 1 409 . 1 1 35 35 LYS HD2 H 1 1.648 0.020 . 1 . . . . 35 LYS HD2 . 19320 1 410 . 1 1 35 35 LYS HD3 H 1 1.648 0.020 . 1 . . . . 35 LYS HD3 . 19320 1 411 . 1 1 35 35 LYS HE2 H 1 3.030 0.020 . 1 . . . . 35 LYS HE2 . 19320 1 412 . 1 1 35 35 LYS HE3 H 1 3.030 0.020 . 1 . . . . 35 LYS HE3 . 19320 1 413 . 1 1 35 35 LYS C C 13 174.929 0.3 . 1 . . . . 35 LYS C . 19320 1 414 . 1 1 35 35 LYS CA C 13 57.477 0.3 . 1 . . . . 35 LYS CA . 19320 1 415 . 1 1 35 35 LYS CB C 13 34.054 0.3 . 1 . . . . 35 LYS CB . 19320 1 416 . 1 1 35 35 LYS CG C 13 25.098 0.3 . 1 . . . . 35 LYS CG . 19320 1 417 . 1 1 35 35 LYS CD C 13 29.833 0.3 . 1 . . . . 35 LYS CD . 19320 1 418 . 1 1 35 35 LYS CE C 13 41.638 0.3 . 1 . . . . 35 LYS CE . 19320 1 419 . 1 1 35 35 LYS N N 15 130.921 0.3 . 1 . . . . 35 LYS N . 19320 1 420 . 1 1 36 36 THR H H 1 8.599 0.020 . 1 . . . . 36 THR H . 19320 1 421 . 1 1 36 36 THR HA H 1 4.292 0.020 . 1 . . . . 36 THR HA . 19320 1 422 . 1 1 36 36 THR HB H 1 3.765 0.020 . 1 . . . . 36 THR HB . 19320 1 423 . 1 1 36 36 THR HG21 H 1 0.876 0.020 . 1 . . . . 36 THR HG2 . 19320 1 424 . 1 1 36 36 THR HG22 H 1 0.876 0.020 . 1 . . . . 36 THR HG2 . 19320 1 425 . 1 1 36 36 THR HG23 H 1 0.876 0.020 . 1 . . . . 36 THR HG2 . 19320 1 426 . 1 1 36 36 THR C C 13 174.111 0.3 . 1 . . . . 36 THR C . 19320 1 427 . 1 1 36 36 THR CA C 13 61.804 0.3 . 1 . . . . 36 THR CA . 19320 1 428 . 1 1 36 36 THR CB C 13 70.328 0.3 . 1 . . . . 36 THR CB . 19320 1 429 . 1 1 36 36 THR CG2 C 13 21.406 0.3 . 1 . . . . 36 THR CG2 . 19320 1 430 . 1 1 36 36 THR N N 15 119.728 0.3 . 1 . . . . 36 THR N . 19320 1 431 . 1 1 37 37 ASN H H 1 8.735 0.020 . 1 . . . . 37 ASN H . 19320 1 432 . 1 1 37 37 ASN HA H 1 4.534 0.020 . 1 . . . . 37 ASN HA . 19320 1 433 . 1 1 37 37 ASN HB2 H 1 3.317 0.020 . 2 . . . . 37 ASN HB2 . 19320 1 434 . 1 1 37 37 ASN HB3 H 1 2.552 0.020 . 2 . . . . 37 ASN HB3 . 19320 1 435 . 1 1 37 37 ASN HD21 H 1 7.009 0.020 . 1 . . . . 37 ASN HD21 . 19320 1 436 . 1 1 37 37 ASN HD22 H 1 6.678 0.020 . 1 . . . . 37 ASN HD22 . 19320 1 437 . 1 1 37 37 ASN C C 13 176.269 0.3 . 1 . . . . 37 ASN C . 19320 1 438 . 1 1 37 37 ASN CA C 13 53.301 0.3 . 1 . . . . 37 ASN CA . 19320 1 439 . 1 1 37 37 ASN CB C 13 39.092 0.3 . 1 . . . . 37 ASN CB . 19320 1 440 . 1 1 37 37 ASN N N 15 124.903 0.3 . 1 . . . . 37 ASN N . 19320 1 441 . 1 1 37 37 ASN ND2 N 15 111.836 0.3 . 1 . . . . 37 ASN ND2 . 19320 1 442 . 1 1 38 38 LYS H H 1 9.043 0.020 . 1 . . . . 38 LYS H . 19320 1 443 . 1 1 38 38 LYS HA H 1 4.002 0.020 . 1 . . . . 38 LYS HA . 19320 1 444 . 1 1 38 38 LYS HB2 H 1 1.876 0.020 . 1 . . . . 38 LYS HB2 . 19320 1 445 . 1 1 38 38 LYS HB3 H 1 1.876 0.020 . 1 . . . . 38 LYS HB3 . 19320 1 446 . 1 1 38 38 LYS HG2 H 1 1.467 0.020 . 1 . . . . 38 LYS HG2 . 19320 1 447 . 1 1 38 38 LYS HG3 H 1 1.467 0.020 . 1 . . . . 38 LYS HG3 . 19320 1 448 . 1 1 38 38 LYS HD2 H 1 1.688 0.020 . 1 . . . . 38 LYS HD2 . 19320 1 449 . 1 1 38 38 LYS HD3 H 1 1.688 0.020 . 1 . . . . 38 LYS HD3 . 19320 1 450 . 1 1 38 38 LYS HE2 H 1 3.008 0.020 . 1 . . . . 38 LYS HE2 . 19320 1 451 . 1 1 38 38 LYS HE3 H 1 3.008 0.020 . 1 . . . . 38 LYS HE3 . 19320 1 452 . 1 1 38 38 LYS C C 13 177.718 0.3 . 1 . . . . 38 LYS C . 19320 1 453 . 1 1 38 38 LYS CA C 13 58.612 0.3 . 1 . . . . 38 LYS CA . 19320 1 454 . 1 1 38 38 LYS CB C 13 32.489 0.3 . 1 . . . . 38 LYS CB . 19320 1 455 . 1 1 38 38 LYS CG C 13 24.964 0.3 . 1 . . . . 38 LYS CG . 19320 1 456 . 1 1 38 38 LYS CD C 13 28.818 0.3 . 1 . . . . 38 LYS CD . 19320 1 457 . 1 1 38 38 LYS CE C 13 41.928 0.3 . 1 . . . . 38 LYS CE . 19320 1 458 . 1 1 38 38 LYS N N 15 128.294 0.3 . 1 . . . . 38 LYS N . 19320 1 459 . 1 1 39 39 LYS H H 1 8.338 0.020 . 1 . . . . 39 LYS H . 19320 1 460 . 1 1 39 39 LYS HA H 1 4.258 0.020 . 1 . . . . 39 LYS HA . 19320 1 461 . 1 1 39 39 LYS HB2 H 1 1.952 0.020 . 1 . . . . 39 LYS HB2 . 19320 1 462 . 1 1 39 39 LYS HB3 H 1 1.952 0.020 . 1 . . . . 39 LYS HB3 . 19320 1 463 . 1 1 39 39 LYS HG2 H 1 1.535 0.020 . 2 . . . . 39 LYS HG2 . 19320 1 464 . 1 1 39 39 LYS HG3 H 1 1.402 0.020 . 2 . . . . 39 LYS HG3 . 19320 1 465 . 1 1 39 39 LYS HD2 H 1 1.705 0.020 . 1 . . . . 39 LYS HD2 . 19320 1 466 . 1 1 39 39 LYS HD3 H 1 1.705 0.020 . 1 . . . . 39 LYS HD3 . 19320 1 467 . 1 1 39 39 LYS HE2 H 1 3.003 0.020 . 1 . . . . 39 LYS HE2 . 19320 1 468 . 1 1 39 39 LYS HE3 H 1 3.003 0.020 . 1 . . . . 39 LYS HE3 . 19320 1 469 . 1 1 39 39 LYS C C 13 178.316 0.3 . 1 . . . . 39 LYS C . 19320 1 470 . 1 1 39 39 LYS CA C 13 58.374 0.3 . 1 . . . . 39 LYS CA . 19320 1 471 . 1 1 39 39 LYS CB C 13 32.986 0.3 . 1 . . . . 39 LYS CB . 19320 1 472 . 1 1 39 39 LYS CG C 13 25.230 0.3 . 1 . . . . 39 LYS CG . 19320 1 473 . 1 1 39 39 LYS CD C 13 28.883 0.3 . 1 . . . . 39 LYS CD . 19320 1 474 . 1 1 39 39 LYS CE C 13 41.941 0.3 . 1 . . . . 39 LYS CE . 19320 1 475 . 1 1 39 39 LYS N N 15 117.437 0.3 . 1 . . . . 39 LYS N . 19320 1 476 . 1 1 40 40 THR H H 1 7.499 0.020 . 1 . . . . 40 THR H . 19320 1 477 . 1 1 40 40 THR HA H 1 4.442 0.020 . 1 . . . . 40 THR HA . 19320 1 478 . 1 1 40 40 THR HB H 1 4.356 0.020 . 1 . . . . 40 THR HB . 19320 1 479 . 1 1 40 40 THR HG21 H 1 1.157 0.020 . 1 . . . . 40 THR HG2 . 19320 1 480 . 1 1 40 40 THR HG22 H 1 1.157 0.020 . 1 . . . . 40 THR HG2 . 19320 1 481 . 1 1 40 40 THR HG23 H 1 1.157 0.020 . 1 . . . . 40 THR HG2 . 19320 1 482 . 1 1 40 40 THR C C 13 176.420 0.3 . 1 . . . . 40 THR C . 19320 1 483 . 1 1 40 40 THR CA C 13 61.246 0.3 . 1 . . . . 40 THR CA . 19320 1 484 . 1 1 40 40 THR CB C 13 70.985 0.3 . 1 . . . . 40 THR CB . 19320 1 485 . 1 1 40 40 THR CG2 C 13 21.151 0.3 . 1 . . . . 40 THR CG2 . 19320 1 486 . 1 1 40 40 THR N N 15 105.715 0.3 . 1 . . . . 40 THR N . 19320 1 487 . 1 1 41 41 GLY H H 1 8.653 0.020 . 1 . . . . 41 GLY H . 19320 1 488 . 1 1 41 41 GLY HA2 H 1 4.173 0.020 . 2 . . . . 41 GLY HA2 . 19320 1 489 . 1 1 41 41 GLY HA3 H 1 3.687 0.020 . 2 . . . . 41 GLY HA3 . 19320 1 490 . 1 1 41 41 GLY C C 13 173.740 0.3 . 1 . . . . 41 GLY C . 19320 1 491 . 1 1 41 41 GLY CA C 13 45.743 0.3 . 1 . . . . 41 GLY CA . 19320 1 492 . 1 1 41 41 GLY N N 15 111.342 0.3 . 1 . . . . 41 GLY N . 19320 1 493 . 1 1 42 42 LYS H H 1 7.694 0.020 . 1 . . . . 42 LYS H . 19320 1 494 . 1 1 42 42 LYS HA H 1 4.657 0.020 . 1 . . . . 42 LYS HA . 19320 1 495 . 1 1 42 42 LYS HB2 H 1 1.657 0.020 . 1 . . . . 42 LYS HB2 . 19320 1 496 . 1 1 42 42 LYS HB3 H 1 1.657 0.020 . 1 . . . . 42 LYS HB3 . 19320 1 497 . 1 1 42 42 LYS C C 13 174.000 0.3 . 1 . . . . 42 LYS C . 19320 1 498 . 1 1 42 42 LYS CA C 13 54.332 0.3 . 1 . . . . 42 LYS CA . 19320 1 499 . 1 1 42 42 LYS CB C 13 32.514 0.3 . 1 . . . . 42 LYS CB . 19320 1 500 . 1 1 42 42 LYS N N 15 119.893 0.3 . 1 . . . . 42 LYS N . 19320 1 501 . 1 1 43 43 PRO HA H 1 4.597 0.020 . 1 . . . . 43 PRO HA . 19320 1 502 . 1 1 43 43 PRO HB2 H 1 2.249 0.020 . 2 . . . . 43 PRO HB2 . 19320 1 503 . 1 1 43 43 PRO HB3 H 1 2.017 0.020 . 2 . . . . 43 PRO HB3 . 19320 1 504 . 1 1 43 43 PRO HG2 H 1 2.070 0.020 . 1 . . . . 43 PRO HG2 . 19320 1 505 . 1 1 43 43 PRO HG3 H 1 2.070 0.020 . 1 . . . . 43 PRO HG3 . 19320 1 506 . 1 1 43 43 PRO HD2 H 1 3.937 0.020 . 2 . . . . 43 PRO HD2 . 19320 1 507 . 1 1 43 43 PRO HD3 H 1 3.687 0.020 . 2 . . . . 43 PRO HD3 . 19320 1 508 . 1 1 43 43 PRO C C 13 178.575 0.3 . 1 . . . . 43 PRO C . 19320 1 509 . 1 1 43 43 PRO CA C 13 62.887 0.3 . 1 . . . . 43 PRO CA . 19320 1 510 . 1 1 43 43 PRO CB C 13 32.895 0.3 . 1 . . . . 43 PRO CB . 19320 1 511 . 1 1 43 43 PRO CG C 13 27.529 0.3 . 1 . . . . 43 PRO CG . 19320 1 512 . 1 1 43 43 PRO CD C 13 50.637 0.3 . 1 . . . . 43 PRO CD . 19320 1 513 . 1 1 44 44 MET H H 1 9.040 0.020 . 1 . . . . 44 MET H . 19320 1 514 . 1 1 44 44 MET HA H 1 4.429 0.020 . 1 . . . . 44 MET HA . 19320 1 515 . 1 1 44 44 MET HB2 H 1 2.025 0.020 . 2 . . . . 44 MET HB2 . 19320 1 516 . 1 1 44 44 MET HB3 H 1 1.774 0.020 . 2 . . . . 44 MET HB3 . 19320 1 517 . 1 1 44 44 MET HG2 H 1 2.338 0.020 . 1 . . . . 44 MET HG2 . 19320 1 518 . 1 1 44 44 MET HG3 H 1 2.338 0.020 . 1 . . . . 44 MET HG3 . 19320 1 519 . 1 1 44 44 MET C C 13 173.891 0.3 . 1 . . . . 44 MET C . 19320 1 520 . 1 1 44 44 MET CA C 13 55.906 0.3 . 1 . . . . 44 MET CA . 19320 1 521 . 1 1 44 44 MET CB C 13 30.983 0.3 . 1 . . . . 44 MET CB . 19320 1 522 . 1 1 44 44 MET CG C 13 32.720 0.3 . 1 . . . . 44 MET CG . 19320 1 523 . 1 1 44 44 MET N N 15 125.553 0.3 . 1 . . . . 44 MET N . 19320 1 524 . 1 1 45 45 ILE H H 1 7.644 0.020 . 1 . . . . 45 ILE H . 19320 1 525 . 1 1 45 45 ILE HA H 1 4.724 0.020 . 1 . . . . 45 ILE HA . 19320 1 526 . 1 1 45 45 ILE HB H 1 1.483 0.020 . 1 . . . . 45 ILE HB . 19320 1 527 . 1 1 45 45 ILE HG12 H 1 0.883 0.020 . 1 . . . . 45 ILE HG12 . 19320 1 528 . 1 1 45 45 ILE HG13 H 1 0.883 0.020 . 1 . . . . 45 ILE HG13 . 19320 1 529 . 1 1 45 45 ILE HG21 H 1 0.766 0.020 . 1 . . . . 45 ILE HG2 . 19320 1 530 . 1 1 45 45 ILE HG22 H 1 0.766 0.020 . 1 . . . . 45 ILE HG2 . 19320 1 531 . 1 1 45 45 ILE HG23 H 1 0.766 0.020 . 1 . . . . 45 ILE HG2 . 19320 1 532 . 1 1 45 45 ILE HD11 H 1 0.879 0.020 . 1 . . . . 45 ILE HD1 . 19320 1 533 . 1 1 45 45 ILE HD12 H 1 0.879 0.020 . 1 . . . . 45 ILE HD1 . 19320 1 534 . 1 1 45 45 ILE HD13 H 1 0.879 0.020 . 1 . . . . 45 ILE HD1 . 19320 1 535 . 1 1 45 45 ILE C C 13 174.246 0.3 . 1 . . . . 45 ILE C . 19320 1 536 . 1 1 45 45 ILE CA C 13 59.665 0.3 . 1 . . . . 45 ILE CA . 19320 1 537 . 1 1 45 45 ILE CB C 13 41.816 0.3 . 1 . . . . 45 ILE CB . 19320 1 538 . 1 1 45 45 ILE CG1 C 13 27.691 0.3 . 1 . . . . 45 ILE CG1 . 19320 1 539 . 1 1 45 45 ILE CG2 C 13 16.803 0.3 . 1 . . . . 45 ILE CG2 . 19320 1 540 . 1 1 45 45 ILE CD1 C 13 14.170 0.3 . 1 . . . . 45 ILE CD1 . 19320 1 541 . 1 1 45 45 ILE N N 15 125.385 0.3 . 1 . . . . 45 ILE N . 19320 1 542 . 1 1 46 46 ASN H H 1 8.692 0.020 . 1 . . . . 46 ASN H . 19320 1 543 . 1 1 46 46 ASN HA H 1 4.998 0.020 . 1 . . . . 46 ASN HA . 19320 1 544 . 1 1 46 46 ASN HB2 H 1 2.651 0.020 . 1 . . . . 46 ASN HB2 . 19320 1 545 . 1 1 46 46 ASN HB3 H 1 2.651 0.020 . 1 . . . . 46 ASN HB3 . 19320 1 546 . 1 1 46 46 ASN HD21 H 1 7.054 0.020 . 1 . . . . 46 ASN HD21 . 19320 1 547 . 1 1 46 46 ASN HD22 H 1 6.726 0.020 . 1 . . . . 46 ASN HD22 . 19320 1 548 . 1 1 46 46 ASN C C 13 173.327 0.3 . 1 . . . . 46 ASN C . 19320 1 549 . 1 1 46 46 ASN CA C 13 51.816 0.3 . 1 . . . . 46 ASN CA . 19320 1 550 . 1 1 46 46 ASN CB C 13 40.393 0.3 . 1 . . . . 46 ASN CB . 19320 1 551 . 1 1 46 46 ASN N N 15 125.747 0.3 . 1 . . . . 46 ASN N . 19320 1 552 . 1 1 46 46 ASN ND2 N 15 111.815 0.3 . 1 . . . . 46 ASN ND2 . 19320 1 553 . 1 1 47 47 LEU H H 1 8.615 0.020 . 1 . . . . 47 LEU H . 19320 1 554 . 1 1 47 47 LEU HA H 1 4.744 0.020 . 1 . . . . 47 LEU HA . 19320 1 555 . 1 1 47 47 LEU HB2 H 1 1.623 0.020 . 1 . . . . 47 LEU HB2 . 19320 1 556 . 1 1 47 47 LEU HB3 H 1 1.623 0.020 . 1 . . . . 47 LEU HB3 . 19320 1 557 . 1 1 47 47 LEU HG H 1 1.571 0.020 . 1 . . . . 47 LEU HG . 19320 1 558 . 1 1 47 47 LEU HD11 H 1 0.723 0.020 . 1 . . . . 47 LEU HD1 . 19320 1 559 . 1 1 47 47 LEU HD12 H 1 0.723 0.020 . 1 . . . . 47 LEU HD1 . 19320 1 560 . 1 1 47 47 LEU HD13 H 1 0.723 0.020 . 1 . . . . 47 LEU HD1 . 19320 1 561 . 1 1 47 47 LEU HD21 H 1 0.723 0.020 . 1 . . . . 47 LEU HD2 . 19320 1 562 . 1 1 47 47 LEU HD22 H 1 0.723 0.020 . 1 . . . . 47 LEU HD2 . 19320 1 563 . 1 1 47 47 LEU HD23 H 1 0.723 0.020 . 1 . . . . 47 LEU HD2 . 19320 1 564 . 1 1 47 47 LEU C C 13 176.461 0.3 . 1 . . . . 47 LEU C . 19320 1 565 . 1 1 47 47 LEU CA C 13 53.778 0.3 . 1 . . . . 47 LEU CA . 19320 1 566 . 1 1 47 47 LEU CB C 13 42.628 0.3 . 1 . . . . 47 LEU CB . 19320 1 567 . 1 1 47 47 LEU N N 15 124.072 0.3 . 1 . . . . 47 LEU N . 19320 1 568 . 1 1 48 48 TYR H H 1 8.035 0.020 . 1 . . . . 48 TYR H . 19320 1 569 . 1 1 48 48 TYR HA H 1 4.774 0.020 . 1 . . . . 48 TYR HA . 19320 1 570 . 1 1 48 48 TYR HB2 H 1 3.144 0.020 . 2 . . . . 48 TYR HB2 . 19320 1 571 . 1 1 48 48 TYR HB3 H 1 2.861 0.020 . 2 . . . . 48 TYR HB3 . 19320 1 572 . 1 1 48 48 TYR HD1 H 1 7.188 0.020 . 1 . . . . 48 TYR HD1 . 19320 1 573 . 1 1 48 48 TYR HD2 H 1 7.188 0.020 . 1 . . . . 48 TYR HD2 . 19320 1 574 . 1 1 48 48 TYR HE1 H 1 6.871 0.020 . 1 . . . . 48 TYR HE1 . 19320 1 575 . 1 1 48 48 TYR HE2 H 1 6.871 0.020 . 1 . . . . 48 TYR HE2 . 19320 1 576 . 1 1 48 48 TYR C C 13 176.768 0.3 . 1 . . . . 48 TYR C . 19320 1 577 . 1 1 48 48 TYR CA C 13 57.863 0.3 . 1 . . . . 48 TYR CA . 19320 1 578 . 1 1 48 48 TYR CB C 13 39.012 0.3 . 1 . . . . 48 TYR CB . 19320 1 579 . 1 1 48 48 TYR CD1 C 13 132.511 0.3 . 1 . . . . 48 TYR CD1 . 19320 1 580 . 1 1 48 48 TYR CD2 C 13 132.511 0.3 . 1 . . . . 48 TYR CD2 . 19320 1 581 . 1 1 48 48 TYR CE1 C 13 118.273 0.3 . 1 . . . . 48 TYR CE1 . 19320 1 582 . 1 1 48 48 TYR CE2 C 13 118.273 0.3 . 1 . . . . 48 TYR CE2 . 19320 1 583 . 1 1 48 48 TYR N N 15 122.831 0.3 . 1 . . . . 48 TYR N . 19320 1 584 . 1 1 49 49 THR H H 1 8.935 0.020 . 1 . . . . 49 THR H . 19320 1 585 . 1 1 49 49 THR HA H 1 4.700 0.020 . 1 . . . . 49 THR HA . 19320 1 586 . 1 1 49 49 THR HB H 1 3.786 0.020 . 1 . . . . 49 THR HB . 19320 1 587 . 1 1 49 49 THR HG21 H 1 0.990 0.020 . 1 . . . . 49 THR HG2 . 19320 1 588 . 1 1 49 49 THR HG22 H 1 0.990 0.020 . 1 . . . . 49 THR HG2 . 19320 1 589 . 1 1 49 49 THR HG23 H 1 0.990 0.020 . 1 . . . . 49 THR HG2 . 19320 1 590 . 1 1 49 49 THR C C 13 173.751 0.3 . 1 . . . . 49 THR C . 19320 1 591 . 1 1 49 49 THR CA C 13 60.412 0.3 . 1 . . . . 49 THR CA . 19320 1 592 . 1 1 49 49 THR CB C 13 71.540 0.3 . 1 . . . . 49 THR CB . 19320 1 593 . 1 1 49 49 THR CG2 C 13 21.608 0.3 . 1 . . . . 49 THR CG2 . 19320 1 594 . 1 1 49 49 THR N N 15 116.036 0.3 . 1 . . . . 49 THR N . 19320 1 595 . 1 1 50 50 ASP H H 1 8.754 0.020 . 1 . . . . 50 ASP H . 19320 1 596 . 1 1 50 50 ASP HA H 1 4.572 0.020 . 1 . . . . 50 ASP HA . 19320 1 597 . 1 1 50 50 ASP HB2 H 1 3.121 0.020 . 2 . . . . 50 ASP HB2 . 19320 1 598 . 1 1 50 50 ASP HB3 H 1 2.523 0.020 . 2 . . . . 50 ASP HB3 . 19320 1 599 . 1 1 50 50 ASP C C 13 177.545 0.3 . 1 . . . . 50 ASP C . 19320 1 600 . 1 1 50 50 ASP CA C 13 54.327 0.3 . 1 . . . . 50 ASP CA . 19320 1 601 . 1 1 50 50 ASP CB C 13 43.012 0.3 . 1 . . . . 50 ASP CB . 19320 1 602 . 1 1 50 50 ASP N N 15 123.945 0.3 . 1 . . . . 50 ASP N . 19320 1 603 . 1 1 51 51 LYS H H 1 8.993 0.020 . 1 . . . . 51 LYS H . 19320 1 604 . 1 1 51 51 LYS HA H 1 4.056 0.020 . 1 . . . . 51 LYS HA . 19320 1 605 . 1 1 51 51 LYS HB2 H 1 1.880 0.020 . 1 . . . . 51 LYS HB2 . 19320 1 606 . 1 1 51 51 LYS HB3 H 1 1.880 0.020 . 1 . . . . 51 LYS HB3 . 19320 1 607 . 1 1 51 51 LYS HG2 H 1 1.463 0.020 . 1 . . . . 51 LYS HG2 . 19320 1 608 . 1 1 51 51 LYS HG3 H 1 1.463 0.020 . 1 . . . . 51 LYS HG3 . 19320 1 609 . 1 1 51 51 LYS HD2 H 1 1.679 0.020 . 1 . . . . 51 LYS HD2 . 19320 1 610 . 1 1 51 51 LYS HD3 H 1 1.679 0.020 . 1 . . . . 51 LYS HD3 . 19320 1 611 . 1 1 51 51 LYS HE2 H 1 3.015 0.020 . 1 . . . . 51 LYS HE2 . 19320 1 612 . 1 1 51 51 LYS HE3 H 1 3.015 0.020 . 1 . . . . 51 LYS HE3 . 19320 1 613 . 1 1 51 51 LYS C C 13 177.115 0.3 . 1 . . . . 51 LYS C . 19320 1 614 . 1 1 51 51 LYS CA C 13 58.729 0.3 . 1 . . . . 51 LYS CA . 19320 1 615 . 1 1 51 51 LYS CB C 13 32.349 0.3 . 1 . . . . 51 LYS CB . 19320 1 616 . 1 1 51 51 LYS CG C 13 24.354 0.3 . 1 . . . . 51 LYS CG . 19320 1 617 . 1 1 51 51 LYS CD C 13 29.021 0.3 . 1 . . . . 51 LYS CD . 19320 1 618 . 1 1 51 51 LYS CE C 13 41.989 0.3 . 1 . . . . 51 LYS CE . 19320 1 619 . 1 1 51 51 LYS N N 15 128.080 0.3 . 1 . . . . 51 LYS N . 19320 1 620 . 1 1 52 52 ASP H H 1 8.586 0.020 . 1 . . . . 52 ASP H . 19320 1 621 . 1 1 52 52 ASP HA H 1 4.700 0.020 . 1 . . . . 52 ASP HA . 19320 1 622 . 1 1 52 52 ASP HB2 H 1 2.838 0.020 . 2 . . . . 52 ASP HB2 . 19320 1 623 . 1 1 52 52 ASP HB3 H 1 2.725 0.020 . 2 . . . . 52 ASP HB3 . 19320 1 624 . 1 1 52 52 ASP C C 13 177.828 0.3 . 1 . . . . 52 ASP C . 19320 1 625 . 1 1 52 52 ASP CA C 13 56.484 0.3 . 1 . . . . 52 ASP CA . 19320 1 626 . 1 1 52 52 ASP CB C 13 41.503 0.3 . 1 . . . . 52 ASP CB . 19320 1 627 . 1 1 52 52 ASP N N 15 118.152 0.3 . 1 . . . . 52 ASP N . 19320 1 628 . 1 1 53 53 THR H H 1 8.397 0.020 . 1 . . . . 53 THR H . 19320 1 629 . 1 1 53 53 THR HA H 1 4.443 0.020 . 1 . . . . 53 THR HA . 19320 1 630 . 1 1 53 53 THR HB H 1 4.149 0.020 . 1 . . . . 53 THR HB . 19320 1 631 . 1 1 53 53 THR HG21 H 1 1.236 0.020 . 1 . . . . 53 THR HG2 . 19320 1 632 . 1 1 53 53 THR HG22 H 1 1.236 0.020 . 1 . . . . 53 THR HG2 . 19320 1 633 . 1 1 53 53 THR HG23 H 1 1.236 0.020 . 1 . . . . 53 THR HG2 . 19320 1 634 . 1 1 53 53 THR C C 13 176.744 0.3 . 1 . . . . 53 THR C . 19320 1 635 . 1 1 53 53 THR CA C 13 61.888 0.3 . 1 . . . . 53 THR CA . 19320 1 636 . 1 1 53 53 THR CB C 13 71.200 0.3 . 1 . . . . 53 THR CB . 19320 1 637 . 1 1 53 53 THR CG2 C 13 21.098 0.3 . 1 . . . . 53 THR CG2 . 19320 1 638 . 1 1 53 53 THR N N 15 108.243 0.3 . 1 . . . . 53 THR N . 19320 1 639 . 1 1 54 54 GLY H H 1 8.380 0.020 . 1 . . . . 54 GLY H . 19320 1 640 . 1 1 54 54 GLY HA2 H 1 4.186 0.020 . 2 . . . . 54 GLY HA2 . 19320 1 641 . 1 1 54 54 GLY HA3 H 1 3.804 0.020 . 2 . . . . 54 GLY HA3 . 19320 1 642 . 1 1 54 54 GLY C C 13 173.680 0.3 . 1 . . . . 54 GLY C . 19320 1 643 . 1 1 54 54 GLY CA C 13 45.628 0.3 . 1 . . . . 54 GLY CA . 19320 1 644 . 1 1 54 54 GLY N N 15 111.037 0.3 . 1 . . . . 54 GLY N . 19320 1 645 . 1 1 55 55 LYS H H 1 7.886 0.020 . 1 . . . . 55 LYS H . 19320 1 646 . 1 1 55 55 LYS C C 13 174.370 0.3 . 1 . . . . 55 LYS C . 19320 1 647 . 1 1 55 55 LYS CA C 13 54.426 0.3 . 1 . . . . 55 LYS CA . 19320 1 648 . 1 1 55 55 LYS CB C 13 32.347 0.3 . 1 . . . . 55 LYS CB . 19320 1 649 . 1 1 55 55 LYS N N 15 120.702 0.3 . 1 . . . . 55 LYS N . 19320 1 650 . 1 1 56 56 PRO HA H 1 4.574 0.020 . 1 . . . . 56 PRO HA . 19320 1 651 . 1 1 56 56 PRO HB2 H 1 2.434 0.020 . 2 . . . . 56 PRO HB2 . 19320 1 652 . 1 1 56 56 PRO HB3 H 1 2.239 0.020 . 2 . . . . 56 PRO HB3 . 19320 1 653 . 1 1 56 56 PRO HG2 H 1 2.308 0.020 . 2 . . . . 56 PRO HG2 . 19320 1 654 . 1 1 56 56 PRO HG3 H 1 2.005 0.020 . 2 . . . . 56 PRO HG3 . 19320 1 655 . 1 1 56 56 PRO HD2 H 1 4.058 0.020 . 2 . . . . 56 PRO HD2 . 19320 1 656 . 1 1 56 56 PRO HD3 H 1 3.723 0.020 . 2 . . . . 56 PRO HD3 . 19320 1 657 . 1 1 56 56 PRO C C 13 177.159 0.3 . 1 . . . . 56 PRO C . 19320 1 658 . 1 1 56 56 PRO CA C 13 63.774 0.3 . 1 . . . . 56 PRO CA . 19320 1 659 . 1 1 56 56 PRO CB C 13 32.728 0.3 . 1 . . . . 56 PRO CB . 19320 1 660 . 1 1 56 56 PRO CG C 13 28.136 0.3 . 1 . . . . 56 PRO CG . 19320 1 661 . 1 1 56 56 PRO CD C 13 50.998 0.3 . 1 . . . . 56 PRO CD . 19320 1 662 . 1 1 57 57 LYS H H 1 8.370 0.020 . 1 . . . . 57 LYS H . 19320 1 663 . 1 1 57 57 LYS HA H 1 4.455 0.020 . 1 . . . . 57 LYS HA . 19320 1 664 . 1 1 57 57 LYS HB2 H 1 1.887 0.020 . 1 . . . . 57 LYS HB2 . 19320 1 665 . 1 1 57 57 LYS HB3 H 1 1.887 0.020 . 1 . . . . 57 LYS HB3 . 19320 1 666 . 1 1 57 57 LYS HG2 H 1 1.414 0.020 . 1 . . . . 57 LYS HG2 . 19320 1 667 . 1 1 57 57 LYS HG3 H 1 1.414 0.020 . 1 . . . . 57 LYS HG3 . 19320 1 668 . 1 1 57 57 LYS HD2 H 1 1.645 0.020 . 1 . . . . 57 LYS HD2 . 19320 1 669 . 1 1 57 57 LYS HD3 H 1 1.645 0.020 . 1 . . . . 57 LYS HD3 . 19320 1 670 . 1 1 57 57 LYS HE2 H 1 2.975 0.020 . 1 . . . . 57 LYS HE2 . 19320 1 671 . 1 1 57 57 LYS HE3 H 1 2.975 0.020 . 1 . . . . 57 LYS HE3 . 19320 1 672 . 1 1 57 57 LYS C C 13 176.980 0.3 . 1 . . . . 57 LYS C . 19320 1 673 . 1 1 57 57 LYS CA C 13 56.101 0.3 . 1 . . . . 57 LYS CA . 19320 1 674 . 1 1 57 57 LYS CB C 13 34.052 0.3 . 1 . . . . 57 LYS CB . 19320 1 675 . 1 1 57 57 LYS CG C 13 24.973 0.3 . 1 . . . . 57 LYS CG . 19320 1 676 . 1 1 57 57 LYS CD C 13 29.244 0.3 . 1 . . . . 57 LYS CD . 19320 1 677 . 1 1 57 57 LYS CE C 13 41.455 0.3 . 1 . . . . 57 LYS CE . 19320 1 678 . 1 1 57 57 LYS N N 15 120.380 0.3 . 1 . . . . 57 LYS N . 19320 1 679 . 1 1 58 58 GLY H H 1 8.729 0.020 . 1 . . . . 58 GLY H . 19320 1 680 . 1 1 58 58 GLY HA2 H 1 4.210 0.020 . 2 . . . . 58 GLY HA2 . 19320 1 681 . 1 1 58 58 GLY HA3 H 1 3.703 0.020 . 2 . . . . 58 GLY HA3 . 19320 1 682 . 1 1 58 58 GLY C C 13 172.549 0.3 . 1 . . . . 58 GLY C . 19320 1 683 . 1 1 58 58 GLY CA C 13 46.386 0.3 . 1 . . . . 58 GLY CA . 19320 1 684 . 1 1 58 58 GLY N N 15 109.085 0.3 . 1 . . . . 58 GLY N . 19320 1 685 . 1 1 59 59 GLU H H 1 7.162 0.020 . 1 . . . . 59 GLU H . 19320 1 686 . 1 1 59 59 GLU HA H 1 5.498 0.020 . 1 . . . . 59 GLU HA . 19320 1 687 . 1 1 59 59 GLU HB2 H 1 1.975 0.020 . 2 . . . . 59 GLU HB2 . 19320 1 688 . 1 1 59 59 GLU HB3 H 1 1.848 0.020 . 2 . . . . 59 GLU HB3 . 19320 1 689 . 1 1 59 59 GLU HG2 H 1 2.217 0.020 . 1 . . . . 59 GLU HG2 . 19320 1 690 . 1 1 59 59 GLU HG3 H 1 2.217 0.020 . 1 . . . . 59 GLU HG3 . 19320 1 691 . 1 1 59 59 GLU C C 13 175.919 0.3 . 1 . . . . 59 GLU C . 19320 1 692 . 1 1 59 59 GLU CA C 13 53.112 0.3 . 1 . . . . 59 GLU CA . 19320 1 693 . 1 1 59 59 GLU CB C 13 34.044 0.3 . 1 . . . . 59 GLU CB . 19320 1 694 . 1 1 59 59 GLU CG C 13 36.403 0.3 . 1 . . . . 59 GLU CG . 19320 1 695 . 1 1 59 59 GLU N N 15 115.835 0.3 . 1 . . . . 59 GLU N . 19320 1 696 . 1 1 60 60 ALA H H 1 8.958 0.020 . 1 . . . . 60 ALA H . 19320 1 697 . 1 1 60 60 ALA HA H 1 5.653 0.020 . 1 . . . . 60 ALA HA . 19320 1 698 . 1 1 60 60 ALA HB1 H 1 1.017 0.020 . 1 . . . . 60 ALA HB . 19320 1 699 . 1 1 60 60 ALA HB2 H 1 1.017 0.020 . 1 . . . . 60 ALA HB . 19320 1 700 . 1 1 60 60 ALA HB3 H 1 1.017 0.020 . 1 . . . . 60 ALA HB . 19320 1 701 . 1 1 60 60 ALA C C 13 176.367 0.3 . 1 . . . . 60 ALA C . 19320 1 702 . 1 1 60 60 ALA CA C 13 50.866 0.3 . 1 . . . . 60 ALA CA . 19320 1 703 . 1 1 60 60 ALA CB C 13 23.922 0.3 . 1 . . . . 60 ALA CB . 19320 1 704 . 1 1 60 60 ALA N N 15 122.523 0.3 . 1 . . . . 60 ALA N . 19320 1 705 . 1 1 61 61 THR H H 1 8.642 0.020 . 1 . . . . 61 THR H . 19320 1 706 . 1 1 61 61 THR HA H 1 5.767 0.020 . 1 . . . . 61 THR HA . 19320 1 707 . 1 1 61 61 THR HB H 1 4.133 0.020 . 1 . . . . 61 THR HB . 19320 1 708 . 1 1 61 61 THR HG21 H 1 1.465 0.020 . 1 . . . . 61 THR HG2 . 19320 1 709 . 1 1 61 61 THR HG22 H 1 1.465 0.020 . 1 . . . . 61 THR HG2 . 19320 1 710 . 1 1 61 61 THR HG23 H 1 1.465 0.020 . 1 . . . . 61 THR HG2 . 19320 1 711 . 1 1 61 61 THR C C 13 174.387 0.3 . 1 . . . . 61 THR C . 19320 1 712 . 1 1 61 61 THR CA C 13 59.620 0.3 . 1 . . . . 61 THR CA . 19320 1 713 . 1 1 61 61 THR CB C 13 71.413 0.3 . 1 . . . . 61 THR CB . 19320 1 714 . 1 1 61 61 THR CG2 C 13 22.417 0.3 . 1 . . . . 61 THR CG2 . 19320 1 715 . 1 1 61 61 THR N N 15 108.607 0.3 . 1 . . . . 61 THR N . 19320 1 716 . 1 1 62 62 VAL H H 1 8.043 0.020 . 1 . . . . 62 VAL H . 19320 1 717 . 1 1 62 62 VAL HA H 1 4.380 0.020 . 1 . . . . 62 VAL HA . 19320 1 718 . 1 1 62 62 VAL HB H 1 1.317 0.020 . 1 . . . . 62 VAL HB . 19320 1 719 . 1 1 62 62 VAL HG11 H 1 0.360 0.020 . 2 . . . . 62 VAL HG1 . 19320 1 720 . 1 1 62 62 VAL HG12 H 1 0.360 0.020 . 2 . . . . 62 VAL HG1 . 19320 1 721 . 1 1 62 62 VAL HG13 H 1 0.360 0.020 . 2 . . . . 62 VAL HG1 . 19320 1 722 . 1 1 62 62 VAL HG21 H 1 0.038 0.020 . 2 . . . . 62 VAL HG2 . 19320 1 723 . 1 1 62 62 VAL HG22 H 1 0.038 0.020 . 2 . . . . 62 VAL HG2 . 19320 1 724 . 1 1 62 62 VAL HG23 H 1 0.038 0.020 . 2 . . . . 62 VAL HG2 . 19320 1 725 . 1 1 62 62 VAL C C 13 174.529 0.3 . 1 . . . . 62 VAL C . 19320 1 726 . 1 1 62 62 VAL CA C 13 61.319 0.3 . 1 . . . . 62 VAL CA . 19320 1 727 . 1 1 62 62 VAL CB C 13 35.122 0.3 . 1 . . . . 62 VAL CB . 19320 1 728 . 1 1 62 62 VAL CG1 C 13 20.587 0.3 . 1 . . . . 62 VAL CG1 . 19320 1 729 . 1 1 62 62 VAL CG2 C 13 21.403 0.3 . 1 . . . . 62 VAL CG2 . 19320 1 730 . 1 1 62 62 VAL N N 15 120.142 0.3 . 1 . . . . 62 VAL N . 19320 1 731 . 1 1 63 63 SER H H 1 7.785 0.020 . 1 . . . . 63 SER H . 19320 1 732 . 1 1 63 63 SER HA H 1 5.282 0.020 . 1 . . . . 63 SER HA . 19320 1 733 . 1 1 63 63 SER HB2 H 1 3.705 0.020 . 2 . . . . 63 SER HB2 . 19320 1 734 . 1 1 63 63 SER HB3 H 1 3.650 0.020 . 2 . . . . 63 SER HB3 . 19320 1 735 . 1 1 63 63 SER C C 13 172.573 0.3 . 1 . . . . 63 SER C . 19320 1 736 . 1 1 63 63 SER CA C 13 57.450 0.3 . 1 . . . . 63 SER CA . 19320 1 737 . 1 1 63 63 SER CB C 13 64.471 0.3 . 1 . . . . 63 SER CB . 19320 1 738 . 1 1 63 63 SER N N 15 121.543 0.3 . 1 . . . . 63 SER N . 19320 1 739 . 1 1 64 64 PHE H H 1 8.976 0.020 . 1 . . . . 64 PHE H . 19320 1 740 . 1 1 64 64 PHE HA H 1 4.828 0.020 . 1 . . . . 64 PHE HA . 19320 1 741 . 1 1 64 64 PHE HB2 H 1 3.459 0.020 . 2 . . . . 64 PHE HB2 . 19320 1 742 . 1 1 64 64 PHE HB3 H 1 2.731 0.020 . 2 . . . . 64 PHE HB3 . 19320 1 743 . 1 1 64 64 PHE HD1 H 1 7.032 0.020 . 1 . . . . 64 PHE HD1 . 19320 1 744 . 1 1 64 64 PHE HD2 H 1 7.032 0.020 . 1 . . . . 64 PHE HD2 . 19320 1 745 . 1 1 64 64 PHE HE1 H 1 7.052 0.020 . 1 . . . . 64 PHE HE1 . 19320 1 746 . 1 1 64 64 PHE HE2 H 1 7.052 0.020 . 1 . . . . 64 PHE HE2 . 19320 1 747 . 1 1 64 64 PHE C C 13 175.731 0.3 . 1 . . . . 64 PHE C . 19320 1 748 . 1 1 64 64 PHE CA C 13 58.134 0.3 . 1 . . . . 64 PHE CA . 19320 1 749 . 1 1 64 64 PHE CB C 13 41.884 0.3 . 1 . . . . 64 PHE CB . 19320 1 750 . 1 1 64 64 PHE CD1 C 13 131.216 0.3 . 1 . . . . 64 PHE CD1 . 19320 1 751 . 1 1 64 64 PHE CD2 C 13 131.216 0.3 . 1 . . . . 64 PHE CD2 . 19320 1 752 . 1 1 64 64 PHE CE1 C 13 129.615 0.3 . 1 . . . . 64 PHE CE1 . 19320 1 753 . 1 1 64 64 PHE CE2 C 13 129.615 0.3 . 1 . . . . 64 PHE CE2 . 19320 1 754 . 1 1 64 64 PHE N N 15 122.569 0.3 . 1 . . . . 64 PHE N . 19320 1 755 . 1 1 65 65 ASP H H 1 8.448 0.020 . 1 . . . . 65 ASP H . 19320 1 756 . 1 1 65 65 ASP HA H 1 4.412 0.020 . 1 . . . . 65 ASP HA . 19320 1 757 . 1 1 65 65 ASP HB2 H 1 2.605 0.020 . 2 . . . . 65 ASP HB2 . 19320 1 758 . 1 1 65 65 ASP HB3 H 1 2.396 0.020 . 2 . . . . 65 ASP HB3 . 19320 1 759 . 1 1 65 65 ASP C C 13 175.816 0.3 . 1 . . . . 65 ASP C . 19320 1 760 . 1 1 65 65 ASP CA C 13 57.344 0.3 . 1 . . . . 65 ASP CA . 19320 1 761 . 1 1 65 65 ASP CB C 13 42.141 0.3 . 1 . . . . 65 ASP CB . 19320 1 762 . 1 1 65 65 ASP N N 15 120.388 0.3 . 1 . . . . 65 ASP N . 19320 1 763 . 1 1 66 66 ASP H H 1 8.583 0.020 . 1 . . . . 66 ASP H . 19320 1 764 . 1 1 66 66 ASP HA H 1 5.415 0.020 . 1 . . . . 66 ASP HA . 19320 1 765 . 1 1 66 66 ASP HB2 H 1 2.839 0.020 . 2 . . . . 66 ASP HB2 . 19320 1 766 . 1 1 66 66 ASP HB3 H 1 2.723 0.020 . 2 . . . . 66 ASP HB3 . 19320 1 767 . 1 1 66 66 ASP C C 13 177.529 0.3 . 1 . . . . 66 ASP C . 19320 1 768 . 1 1 66 66 ASP CA C 13 50.589 0.3 . 1 . . . . 66 ASP CA . 19320 1 769 . 1 1 66 66 ASP CB C 13 42.780 0.3 . 1 . . . . 66 ASP CB . 19320 1 770 . 1 1 66 66 ASP N N 15 117.395 0.3 . 1 . . . . 66 ASP N . 19320 1 771 . 1 1 67 67 PRO HA H 1 4.152 0.020 . 1 . . . . 67 PRO HA . 19320 1 772 . 1 1 67 67 PRO HG2 H 1 2.374 0.020 . 2 . . . . 67 PRO HG2 . 19320 1 773 . 1 1 67 67 PRO HG3 H 1 1.979 0.020 . 2 . . . . 67 PRO HG3 . 19320 1 774 . 1 1 67 67 PRO HD2 H 1 4.324 0.020 . 2 . . . . 67 PRO HD2 . 19320 1 775 . 1 1 67 67 PRO HD3 H 1 3.912 0.020 . 2 . . . . 67 PRO HD3 . 19320 1 776 . 1 1 67 67 PRO CA C 13 68.031 0.3 . 1 . . . . 67 PRO CA . 19320 1 777 . 1 1 67 67 PRO CG C 13 28.231 0.3 . 1 . . . . 67 PRO CG . 19320 1 778 . 1 1 67 67 PRO CD C 13 51.130 0.3 . 1 . . . . 67 PRO CD . 19320 1 779 . 1 1 68 68 PRO HA H 1 4.426 0.020 . 1 . . . . 68 PRO HA . 19320 1 780 . 1 1 68 68 PRO HB2 H 1 2.399 0.020 . 1 . . . . 68 PRO HB2 . 19320 1 781 . 1 1 68 68 PRO HB3 H 1 2.399 0.020 . 1 . . . . 68 PRO HB3 . 19320 1 782 . 1 1 68 68 PRO HG2 H 1 2.115 0.020 . 2 . . . . 68 PRO HG2 . 19320 1 783 . 1 1 68 68 PRO HG3 H 1 1.985 0.020 . 2 . . . . 68 PRO HG3 . 19320 1 784 . 1 1 68 68 PRO HD2 H 1 3.687 0.020 . 2 . . . . 68 PRO HD2 . 19320 1 785 . 1 1 68 68 PRO HD3 H 1 3.457 0.020 . 2 . . . . 68 PRO HD3 . 19320 1 786 . 1 1 68 68 PRO C C 13 178.879 0.3 . 1 . . . . 68 PRO C . 19320 1 787 . 1 1 68 68 PRO CA C 13 66.205 0.3 . 1 . . . . 68 PRO CA . 19320 1 788 . 1 1 68 68 PRO CB C 13 31.017 0.3 . 1 . . . . 68 PRO CB . 19320 1 789 . 1 1 68 68 PRO CG C 13 28.316 0.3 . 1 . . . . 68 PRO CG . 19320 1 790 . 1 1 68 68 PRO CD C 13 50.584 0.3 . 1 . . . . 68 PRO CD . 19320 1 791 . 1 1 69 69 SER H H 1 8.116 0.020 . 1 . . . . 69 SER H . 19320 1 792 . 1 1 69 69 SER HA H 1 4.005 0.020 . 1 . . . . 69 SER HA . 19320 1 793 . 1 1 69 69 SER HB2 H 1 3.840 0.020 . 2 . . . . 69 SER HB2 . 19320 1 794 . 1 1 69 69 SER HB3 H 1 2.971 0.020 . 2 . . . . 69 SER HB3 . 19320 1 795 . 1 1 69 69 SER C C 13 174.057 0.3 . 1 . . . . 69 SER C . 19320 1 796 . 1 1 69 69 SER CA C 13 61.805 0.3 . 1 . . . . 69 SER CA . 19320 1 797 . 1 1 69 69 SER CB C 13 62.778 0.3 . 1 . . . . 69 SER CB . 19320 1 798 . 1 1 69 69 SER N N 15 114.612 0.3 . 1 . . . . 69 SER N . 19320 1 799 . 1 1 70 70 ALA H H 1 7.513 0.020 . 1 . . . . 70 ALA H . 19320 1 800 . 1 1 70 70 ALA HA H 1 3.637 0.020 . 1 . . . . 70 ALA HA . 19320 1 801 . 1 1 70 70 ALA HB1 H 1 1.615 0.020 . 1 . . . . 70 ALA HB . 19320 1 802 . 1 1 70 70 ALA HB2 H 1 1.615 0.020 . 1 . . . . 70 ALA HB . 19320 1 803 . 1 1 70 70 ALA HB3 H 1 1.615 0.020 . 1 . . . . 70 ALA HB . 19320 1 804 . 1 1 70 70 ALA C C 13 177.710 0.3 . 1 . . . . 70 ALA C . 19320 1 805 . 1 1 70 70 ALA CA C 13 55.066 0.3 . 1 . . . . 70 ALA CA . 19320 1 806 . 1 1 70 70 ALA CB C 13 17.862 0.3 . 1 . . . . 70 ALA CB . 19320 1 807 . 1 1 70 70 ALA N N 15 122.442 0.3 . 1 . . . . 70 ALA N . 19320 1 808 . 1 1 71 71 LYS H H 1 7.130 0.020 . 1 . . . . 71 LYS H . 19320 1 809 . 1 1 71 71 LYS HA H 1 3.799 0.020 . 1 . . . . 71 LYS HA . 19320 1 810 . 1 1 71 71 LYS HB2 H 1 2.124 0.020 . 2 . . . . 71 LYS HB2 . 19320 1 811 . 1 1 71 71 LYS HB3 H 1 1.980 0.020 . 2 . . . . 71 LYS HB3 . 19320 1 812 . 1 1 71 71 LYS HG2 H 1 1.572 0.020 . 1 . . . . 71 LYS HG2 . 19320 1 813 . 1 1 71 71 LYS HG3 H 1 1.572 0.020 . 1 . . . . 71 LYS HG3 . 19320 1 814 . 1 1 71 71 LYS HD2 H 1 1.723 0.020 . 1 . . . . 71 LYS HD2 . 19320 1 815 . 1 1 71 71 LYS HD3 H 1 1.723 0.020 . 1 . . . . 71 LYS HD3 . 19320 1 816 . 1 1 71 71 LYS HE2 H 1 3.136 0.020 . 1 . . . . 71 LYS HE2 . 19320 1 817 . 1 1 71 71 LYS HE3 H 1 3.136 0.020 . 1 . . . . 71 LYS HE3 . 19320 1 818 . 1 1 71 71 LYS C C 13 177.969 0.3 . 1 . . . . 71 LYS C . 19320 1 819 . 1 1 71 71 LYS CA C 13 58.932 0.3 . 1 . . . . 71 LYS CA . 19320 1 820 . 1 1 71 71 LYS CB C 13 32.729 0.3 . 1 . . . . 71 LYS CB . 19320 1 821 . 1 1 71 71 LYS CG C 13 25.057 0.3 . 1 . . . . 71 LYS CG . 19320 1 822 . 1 1 71 71 LYS CD C 13 28.727 0.3 . 1 . . . . 71 LYS CD . 19320 1 823 . 1 1 71 71 LYS CE C 13 42.402 0.3 . 1 . . . . 71 LYS CE . 19320 1 824 . 1 1 71 71 LYS N N 15 116.223 0.3 . 1 . . . . 71 LYS N . 19320 1 825 . 1 1 72 72 ALA H H 1 7.854 0.020 . 1 . . . . 72 ALA H . 19320 1 826 . 1 1 72 72 ALA HA H 1 4.156 0.020 . 1 . . . . 72 ALA HA . 19320 1 827 . 1 1 72 72 ALA HB1 H 1 1.380 0.020 . 1 . . . . 72 ALA HB . 19320 1 828 . 1 1 72 72 ALA HB2 H 1 1.380 0.020 . 1 . . . . 72 ALA HB . 19320 1 829 . 1 1 72 72 ALA HB3 H 1 1.380 0.020 . 1 . . . . 72 ALA HB . 19320 1 830 . 1 1 72 72 ALA C C 13 179.619 0.3 . 1 . . . . 72 ALA C . 19320 1 831 . 1 1 72 72 ALA CA C 13 54.774 0.3 . 1 . . . . 72 ALA CA . 19320 1 832 . 1 1 72 72 ALA CB C 13 17.758 0.3 . 1 . . . . 72 ALA CB . 19320 1 833 . 1 1 72 72 ALA N N 15 119.877 0.3 . 1 . . . . 72 ALA N . 19320 1 834 . 1 1 73 73 ALA H H 1 8.114 0.020 . 1 . . . . 73 ALA H . 19320 1 835 . 1 1 73 73 ALA HA H 1 4.211 0.020 . 1 . . . . 73 ALA HA . 19320 1 836 . 1 1 73 73 ALA HB1 H 1 1.670 0.020 . 1 . . . . 73 ALA HB . 19320 1 837 . 1 1 73 73 ALA HB2 H 1 1.670 0.020 . 1 . . . . 73 ALA HB . 19320 1 838 . 1 1 73 73 ALA HB3 H 1 1.670 0.020 . 1 . . . . 73 ALA HB . 19320 1 839 . 1 1 73 73 ALA C C 13 179.454 0.3 . 1 . . . . 73 ALA C . 19320 1 840 . 1 1 73 73 ALA CA C 13 55.412 0.3 . 1 . . . . 73 ALA CA . 19320 1 841 . 1 1 73 73 ALA CB C 13 18.999 0.3 . 1 . . . . 73 ALA CB . 19320 1 842 . 1 1 73 73 ALA N N 15 120.203 0.3 . 1 . . . . 73 ALA N . 19320 1 843 . 1 1 74 74 ILE H H 1 7.528 0.020 . 1 . . . . 74 ILE H . 19320 1 844 . 1 1 74 74 ILE HA H 1 3.396 0.020 . 1 . . . . 74 ILE HA . 19320 1 845 . 1 1 74 74 ILE HB H 1 1.734 0.020 . 1 . . . . 74 ILE HB . 19320 1 846 . 1 1 74 74 ILE HG12 H 1 0.357 0.020 . 1 . . . . 74 ILE HG12 . 19320 1 847 . 1 1 74 74 ILE HG13 H 1 0.357 0.020 . 1 . . . . 74 ILE HG13 . 19320 1 848 . 1 1 74 74 ILE HG21 H 1 0.866 0.020 . 1 . . . . 74 ILE HG2 . 19320 1 849 . 1 1 74 74 ILE HG22 H 1 0.866 0.020 . 1 . . . . 74 ILE HG2 . 19320 1 850 . 1 1 74 74 ILE HG23 H 1 0.866 0.020 . 1 . . . . 74 ILE HG2 . 19320 1 851 . 1 1 74 74 ILE HD11 H 1 -0.176 0.020 . 1 . . . . 74 ILE HD1 . 19320 1 852 . 1 1 74 74 ILE HD12 H 1 -0.176 0.020 . 1 . . . . 74 ILE HD1 . 19320 1 853 . 1 1 74 74 ILE HD13 H 1 -0.176 0.020 . 1 . . . . 74 ILE HD1 . 19320 1 854 . 1 1 74 74 ILE C C 13 178.064 0.3 . 1 . . . . 74 ILE C . 19320 1 855 . 1 1 74 74 ILE CA C 13 65.826 0.3 . 1 . . . . 74 ILE CA . 19320 1 856 . 1 1 74 74 ILE CB C 13 38.840 0.3 . 1 . . . . 74 ILE CB . 19320 1 857 . 1 1 74 74 ILE CG1 C 13 29.239 0.3 . 1 . . . . 74 ILE CG1 . 19320 1 858 . 1 1 74 74 ILE CG2 C 13 16.888 0.3 . 1 . . . . 74 ILE CG2 . 19320 1 859 . 1 1 74 74 ILE CD1 C 13 13.256 0.3 . 1 . . . . 74 ILE CD1 . 19320 1 860 . 1 1 74 74 ILE N N 15 119.625 0.3 . 1 . . . . 74 ILE N . 19320 1 861 . 1 1 75 75 ASP H H 1 8.087 0.020 . 1 . . . . 75 ASP H . 19320 1 862 . 1 1 75 75 ASP HA H 1 4.289 0.020 . 1 . . . . 75 ASP HA . 19320 1 863 . 1 1 75 75 ASP HB2 H 1 2.707 0.020 . 2 . . . . 75 ASP HB2 . 19320 1 864 . 1 1 75 75 ASP HB3 H 1 2.591 0.020 . 2 . . . . 75 ASP HB3 . 19320 1 865 . 1 1 75 75 ASP C C 13 178.276 0.3 . 1 . . . . 75 ASP C . 19320 1 866 . 1 1 75 75 ASP CA C 13 57.117 0.3 . 1 . . . . 75 ASP CA . 19320 1 867 . 1 1 75 75 ASP CB C 13 40.428 0.3 . 1 . . . . 75 ASP CB . 19320 1 868 . 1 1 75 75 ASP N N 15 118.239 0.3 . 1 . . . . 75 ASP N . 19320 1 869 . 1 1 76 76 TRP H H 1 8.586 0.020 . 1 . . . . 76 TRP H . 19320 1 870 . 1 1 76 76 TRP HA H 1 4.357 0.020 . 1 . . . . 76 TRP HA . 19320 1 871 . 1 1 76 76 TRP HB2 H 1 2.979 0.020 . 2 . . . . 76 TRP HB2 . 19320 1 872 . 1 1 76 76 TRP HB3 H 1 2.432 0.020 . 2 . . . . 76 TRP HB3 . 19320 1 873 . 1 1 76 76 TRP HD1 H 1 7.144 0.020 . 1 . . . . 76 TRP HD1 . 19320 1 874 . 1 1 76 76 TRP HE1 H 1 9.863 0.020 . 1 . . . . 76 TRP HE1 . 19320 1 875 . 1 1 76 76 TRP HE3 H 1 7.368 0.020 . 1 . . . . 76 TRP HE3 . 19320 1 876 . 1 1 76 76 TRP HZ2 H 1 7.354 0.020 . 1 . . . . 76 TRP HZ2 . 19320 1 877 . 1 1 76 76 TRP HZ3 H 1 7.036 0.020 . 1 . . . . 76 TRP HZ3 . 19320 1 878 . 1 1 76 76 TRP HH2 H 1 5.631 0.020 . 1 . . . . 76 TRP HH2 . 19320 1 879 . 1 1 76 76 TRP C C 13 177.380 0.3 . 1 . . . . 76 TRP C . 19320 1 880 . 1 1 76 76 TRP CA C 13 59.338 0.3 . 1 . . . . 76 TRP CA . 19320 1 881 . 1 1 76 76 TRP CB C 13 30.440 0.3 . 1 . . . . 76 TRP CB . 19320 1 882 . 1 1 76 76 TRP CD1 C 13 124.429 0.3 . 1 . . . . 76 TRP CD1 . 19320 1 883 . 1 1 76 76 TRP CE3 C 13 120.787 0.3 . 1 . . . . 76 TRP CE3 . 19320 1 884 . 1 1 76 76 TRP CZ2 C 13 114.305 0.3 . 1 . . . . 76 TRP CZ2 . 19320 1 885 . 1 1 76 76 TRP CZ3 C 13 121.614 0.3 . 1 . . . . 76 TRP CZ3 . 19320 1 886 . 1 1 76 76 TRP CH2 C 13 126.707 0.3 . 1 . . . . 76 TRP CH2 . 19320 1 887 . 1 1 76 76 TRP N N 15 117.050 0.3 . 1 . . . . 76 TRP N . 19320 1 888 . 1 1 76 76 TRP NE1 N 15 128.101 0.3 . 1 . . . . 76 TRP NE1 . 19320 1 889 . 1 1 77 77 PHE H H 1 8.358 0.020 . 1 . . . . 77 PHE H . 19320 1 890 . 1 1 77 77 PHE HA H 1 4.783 0.020 . 1 . . . . 77 PHE HA . 19320 1 891 . 1 1 77 77 PHE HB2 H 1 3.441 0.020 . 1 . . . . 77 PHE HB2 . 19320 1 892 . 1 1 77 77 PHE HB3 H 1 3.441 0.020 . 1 . . . . 77 PHE HB3 . 19320 1 893 . 1 1 77 77 PHE HD1 H 1 6.933 0.020 . 1 . . . . 77 PHE HD1 . 19320 1 894 . 1 1 77 77 PHE HD2 H 1 6.933 0.020 . 1 . . . . 77 PHE HD2 . 19320 1 895 . 1 1 77 77 PHE HE1 H 1 7.349 0.020 . 1 . . . . 77 PHE HE1 . 19320 1 896 . 1 1 77 77 PHE HE2 H 1 7.349 0.020 . 1 . . . . 77 PHE HE2 . 19320 1 897 . 1 1 77 77 PHE HZ H 1 6.823 0.020 . 1 . . . . 77 PHE HZ . 19320 1 898 . 1 1 77 77 PHE C C 13 176.390 0.3 . 1 . . . . 77 PHE C . 19320 1 899 . 1 1 77 77 PHE CA C 13 59.229 0.3 . 1 . . . . 77 PHE CA . 19320 1 900 . 1 1 77 77 PHE CB C 13 40.852 0.3 . 1 . . . . 77 PHE CB . 19320 1 901 . 1 1 77 77 PHE CD1 C 13 131.118 0.3 . 1 . . . . 77 PHE CD1 . 19320 1 902 . 1 1 77 77 PHE CD2 C 13 131.118 0.3 . 1 . . . . 77 PHE CD2 . 19320 1 903 . 1 1 77 77 PHE CE1 C 13 130.929 0.3 . 1 . . . . 77 PHE CE1 . 19320 1 904 . 1 1 77 77 PHE CE2 C 13 130.929 0.3 . 1 . . . . 77 PHE CE2 . 19320 1 905 . 1 1 77 77 PHE CZ C 13 128.324 0.3 . 1 . . . . 77 PHE CZ . 19320 1 906 . 1 1 77 77 PHE N N 15 112.215 0.3 . 1 . . . . 77 PHE N . 19320 1 907 . 1 1 78 78 ASP H H 1 8.081 0.020 . 1 . . . . 78 ASP H . 19320 1 908 . 1 1 78 78 ASP HA H 1 4.475 0.020 . 1 . . . . 78 ASP HA . 19320 1 909 . 1 1 78 78 ASP HB2 H 1 3.222 0.020 . 2 . . . . 78 ASP HB2 . 19320 1 910 . 1 1 78 78 ASP HB3 H 1 2.773 0.020 . 2 . . . . 78 ASP HB3 . 19320 1 911 . 1 1 78 78 ASP C C 13 178.229 0.3 . 1 . . . . 78 ASP C . 19320 1 912 . 1 1 78 78 ASP CA C 13 58.514 0.3 . 1 . . . . 78 ASP CA . 19320 1 913 . 1 1 78 78 ASP CB C 13 42.072 0.3 . 1 . . . . 78 ASP CB . 19320 1 914 . 1 1 78 78 ASP N N 15 118.386 0.3 . 1 . . . . 78 ASP N . 19320 1 915 . 1 1 79 79 GLY H H 1 8.843 0.020 . 1 . . . . 79 GLY H . 19320 1 916 . 1 1 79 79 GLY HA2 H 1 4.208 0.020 . 2 . . . . 79 GLY HA2 . 19320 1 917 . 1 1 79 79 GLY HA3 H 1 3.784 0.020 . 2 . . . . 79 GLY HA3 . 19320 1 918 . 1 1 79 79 GLY C C 13 174.270 0.3 . 1 . . . . 79 GLY C . 19320 1 919 . 1 1 79 79 GLY CA C 13 46.231 0.3 . 1 . . . . 79 GLY CA . 19320 1 920 . 1 1 79 79 GLY N N 15 115.738 0.3 . 1 . . . . 79 GLY N . 19320 1 921 . 1 1 80 80 LYS H H 1 7.902 0.020 . 1 . . . . 80 LYS H . 19320 1 922 . 1 1 80 80 LYS HA H 1 4.573 0.020 . 1 . . . . 80 LYS HA . 19320 1 923 . 1 1 80 80 LYS HB2 H 1 2.184 0.020 . 1 . . . . 80 LYS HB2 . 19320 1 924 . 1 1 80 80 LYS HB3 H 1 2.184 0.020 . 1 . . . . 80 LYS HB3 . 19320 1 925 . 1 1 80 80 LYS HG2 H 1 1.283 0.020 . 1 . . . . 80 LYS HG2 . 19320 1 926 . 1 1 80 80 LYS HG3 H 1 1.283 0.020 . 1 . . . . 80 LYS HG3 . 19320 1 927 . 1 1 80 80 LYS HD2 H 1 1.586 0.020 . 1 . . . . 80 LYS HD2 . 19320 1 928 . 1 1 80 80 LYS HD3 H 1 1.586 0.020 . 1 . . . . 80 LYS HD3 . 19320 1 929 . 1 1 80 80 LYS HE2 H 1 2.598 0.020 . 1 . . . . 80 LYS HE2 . 19320 1 930 . 1 1 80 80 LYS HE3 H 1 2.598 0.020 . 1 . . . . 80 LYS HE3 . 19320 1 931 . 1 1 80 80 LYS C C 13 174.205 0.3 . 1 . . . . 80 LYS C . 19320 1 932 . 1 1 80 80 LYS CA C 13 54.477 0.3 . 1 . . . . 80 LYS CA . 19320 1 933 . 1 1 80 80 LYS CB C 13 32.833 0.3 . 1 . . . . 80 LYS CB . 19320 1 934 . 1 1 80 80 LYS CG C 13 26.141 0.3 . 1 . . . . 80 LYS CG . 19320 1 935 . 1 1 80 80 LYS CD C 13 28.014 0.3 . 1 . . . . 80 LYS CD . 19320 1 936 . 1 1 80 80 LYS CE C 13 42.460 0.3 . 1 . . . . 80 LYS CE . 19320 1 937 . 1 1 80 80 LYS N N 15 119.722 0.3 . 1 . . . . 80 LYS N . 19320 1 938 . 1 1 81 81 GLU H H 1 8.058 0.020 . 1 . . . . 81 GLU H . 19320 1 939 . 1 1 81 81 GLU HA H 1 4.829 0.020 . 1 . . . . 81 GLU HA . 19320 1 940 . 1 1 81 81 GLU HB2 H 1 1.895 0.020 . 1 . . . . 81 GLU HB2 . 19320 1 941 . 1 1 81 81 GLU HB3 H 1 1.895 0.020 . 1 . . . . 81 GLU HB3 . 19320 1 942 . 1 1 81 81 GLU HG2 H 1 2.169 0.020 . 1 . . . . 81 GLU HG2 . 19320 1 943 . 1 1 81 81 GLU HG3 H 1 2.169 0.020 . 1 . . . . 81 GLU HG3 . 19320 1 944 . 1 1 81 81 GLU C C 13 175.980 0.3 . 1 . . . . 81 GLU C . 19320 1 945 . 1 1 81 81 GLU CA C 13 55.859 0.3 . 1 . . . . 81 GLU CA . 19320 1 946 . 1 1 81 81 GLU CB C 13 31.848 0.3 . 1 . . . . 81 GLU CB . 19320 1 947 . 1 1 81 81 GLU CG C 13 36.469 0.3 . 1 . . . . 81 GLU CG . 19320 1 948 . 1 1 81 81 GLU N N 15 116.650 0.3 . 1 . . . . 81 GLU N . 19320 1 949 . 1 1 82 82 PHE H H 1 9.412 0.020 . 1 . . . . 82 PHE H . 19320 1 950 . 1 1 82 82 PHE HA H 1 4.365 0.020 . 1 . . . . 82 PHE HA . 19320 1 951 . 1 1 82 82 PHE HB2 H 1 2.730 0.020 . 2 . . . . 82 PHE HB2 . 19320 1 952 . 1 1 82 82 PHE HB3 H 1 2.109 0.020 . 2 . . . . 82 PHE HB3 . 19320 1 953 . 1 1 82 82 PHE HD1 H 1 6.202 0.020 . 1 . . . . 82 PHE HD1 . 19320 1 954 . 1 1 82 82 PHE HD2 H 1 6.202 0.020 . 1 . . . . 82 PHE HD2 . 19320 1 955 . 1 1 82 82 PHE HE1 H 1 6.853 0.020 . 1 . . . . 82 PHE HE1 . 19320 1 956 . 1 1 82 82 PHE HE2 H 1 6.853 0.020 . 1 . . . . 82 PHE HE2 . 19320 1 957 . 1 1 82 82 PHE HZ H 1 6.695 0.020 . 1 . . . . 82 PHE HZ . 19320 1 958 . 1 1 82 82 PHE C C 13 174.524 0.3 . 1 . . . . 82 PHE C . 19320 1 959 . 1 1 82 82 PHE CA C 13 56.289 0.3 . 1 . . . . 82 PHE CA . 19320 1 960 . 1 1 82 82 PHE CB C 13 41.692 0.3 . 1 . . . . 82 PHE CB . 19320 1 961 . 1 1 82 82 PHE CD1 C 13 132.671 0.3 . 1 . . . . 82 PHE CD1 . 19320 1 962 . 1 1 82 82 PHE CD2 C 13 132.671 0.3 . 1 . . . . 82 PHE CD2 . 19320 1 963 . 1 1 82 82 PHE CE1 C 13 130.272 0.3 . 1 . . . . 82 PHE CE1 . 19320 1 964 . 1 1 82 82 PHE CE2 C 13 130.272 0.3 . 1 . . . . 82 PHE CE2 . 19320 1 965 . 1 1 82 82 PHE CZ C 13 128.145 0.3 . 1 . . . . 82 PHE CZ . 19320 1 966 . 1 1 82 82 PHE N N 15 125.017 0.3 . 1 . . . . 82 PHE N . 19320 1 967 . 1 1 83 83 HIS H H 1 9.222 0.020 . 1 . . . . 83 HIS H . 19320 1 968 . 1 1 83 83 HIS HA H 1 3.912 0.020 . 1 . . . . 83 HIS HA . 19320 1 969 . 1 1 83 83 HIS HB2 H 1 3.178 0.020 . 2 . . . . 83 HIS HB2 . 19320 1 970 . 1 1 83 83 HIS HB3 H 1 2.682 0.020 . 2 . . . . 83 HIS HB3 . 19320 1 971 . 1 1 83 83 HIS HD2 H 1 5.412 0.020 . 1 . . . . 83 HIS HD2 . 19320 1 972 . 1 1 83 83 HIS HE1 H 1 8.419 0.020 . 1 . . . . 83 HIS HE1 . 19320 1 973 . 1 1 83 83 HIS C C 13 174.618 0.3 . 1 . . . . 83 HIS C . 19320 1 974 . 1 1 83 83 HIS CA C 13 55.875 0.3 . 1 . . . . 83 HIS CA . 19320 1 975 . 1 1 83 83 HIS CB C 13 26.756 0.3 . 1 . . . . 83 HIS CB . 19320 1 976 . 1 1 83 83 HIS CD2 C 13 118.171 0.3 . 1 . . . . 83 HIS CD2 . 19320 1 977 . 1 1 83 83 HIS CE1 C 13 135.798 0.3 . 1 . . . . 83 HIS CE1 . 19320 1 978 . 1 1 83 83 HIS N N 15 125.633 0.3 . 1 . . . . 83 HIS N . 19320 1 979 . 1 1 84 84 GLY H H 1 8.578 0.020 . 1 . . . . 84 GLY H . 19320 1 980 . 1 1 84 84 GLY HA2 H 1 4.178 0.020 . 2 . . . . 84 GLY HA2 . 19320 1 981 . 1 1 84 84 GLY HA3 H 1 3.604 0.020 . 2 . . . . 84 GLY HA3 . 19320 1 982 . 1 1 84 84 GLY C C 13 173.231 0.3 . 1 . . . . 84 GLY C . 19320 1 983 . 1 1 84 84 GLY CA C 13 45.373 0.3 . 1 . . . . 84 GLY CA . 19320 1 984 . 1 1 84 84 GLY N N 15 103.092 0.3 . 1 . . . . 84 GLY N . 19320 1 985 . 1 1 85 85 ASN H H 1 7.812 0.020 . 1 . . . . 85 ASN H . 19320 1 986 . 1 1 85 85 ASN HA H 1 5.025 0.020 . 1 . . . . 85 ASN HA . 19320 1 987 . 1 1 85 85 ASN HB2 H 1 3.009 0.020 . 2 . . . . 85 ASN HB2 . 19320 1 988 . 1 1 85 85 ASN HB3 H 1 2.911 0.020 . 2 . . . . 85 ASN HB3 . 19320 1 989 . 1 1 85 85 ASN HD21 H 1 7.981 0.020 . 1 . . . . 85 ASN HD21 . 19320 1 990 . 1 1 85 85 ASN HD22 H 1 7.286 0.020 . 1 . . . . 85 ASN HD22 . 19320 1 991 . 1 1 85 85 ASN C C 13 173.787 0.3 . 1 . . . . 85 ASN C . 19320 1 992 . 1 1 85 85 ASN CA C 13 51.657 0.3 . 1 . . . . 85 ASN CA . 19320 1 993 . 1 1 85 85 ASN CB C 13 41.428 0.3 . 1 . . . . 85 ASN CB . 19320 1 994 . 1 1 85 85 ASN N N 15 119.384 0.3 . 1 . . . . 85 ASN N . 19320 1 995 . 1 1 85 85 ASN ND2 N 15 113.193 0.3 . 1 . . . . 85 ASN ND2 . 19320 1 996 . 1 1 86 86 ILE H H 1 8.675 0.020 . 1 . . . . 86 ILE H . 19320 1 997 . 1 1 86 86 ILE HA H 1 4.312 0.020 . 1 . . . . 86 ILE HA . 19320 1 998 . 1 1 86 86 ILE HB H 1 1.840 0.020 . 1 . . . . 86 ILE HB . 19320 1 999 . 1 1 86 86 ILE HG12 H 1 1.522 0.020 . 2 . . . . 86 ILE HG12 . 19320 1 1000 . 1 1 86 86 ILE HG13 H 1 1.290 0.020 . 2 . . . . 86 ILE HG13 . 19320 1 1001 . 1 1 86 86 ILE HG21 H 1 0.793 0.020 . 1 . . . . 86 ILE HG2 . 19320 1 1002 . 1 1 86 86 ILE HG22 H 1 0.793 0.020 . 1 . . . . 86 ILE HG2 . 19320 1 1003 . 1 1 86 86 ILE HG23 H 1 0.793 0.020 . 1 . . . . 86 ILE HG2 . 19320 1 1004 . 1 1 86 86 ILE HD11 H 1 0.749 0.020 . 1 . . . . 86 ILE HD1 . 19320 1 1005 . 1 1 86 86 ILE HD12 H 1 0.749 0.020 . 1 . . . . 86 ILE HD1 . 19320 1 1006 . 1 1 86 86 ILE HD13 H 1 0.749 0.020 . 1 . . . . 86 ILE HD1 . 19320 1 1007 . 1 1 86 86 ILE C C 13 176.736 0.3 . 1 . . . . 86 ILE C . 19320 1 1008 . 1 1 86 86 ILE CA C 13 60.614 0.3 . 1 . . . . 86 ILE CA . 19320 1 1009 . 1 1 86 86 ILE CB C 13 36.594 0.3 . 1 . . . . 86 ILE CB . 19320 1 1010 . 1 1 86 86 ILE CG1 C 13 27.378 0.3 . 1 . . . . 86 ILE CG1 . 19320 1 1011 . 1 1 86 86 ILE CG2 C 13 17.251 0.3 . 1 . . . . 86 ILE CG2 . 19320 1 1012 . 1 1 86 86 ILE CD1 C 13 11.079 0.3 . 1 . . . . 86 ILE CD1 . 19320 1 1013 . 1 1 86 86 ILE N N 15 123.379 0.3 . 1 . . . . 86 ILE N . 19320 1 1014 . 1 1 87 87 ILE H H 1 8.481 0.020 . 1 . . . . 87 ILE H . 19320 1 1015 . 1 1 87 87 ILE HA H 1 5.120 0.020 . 1 . . . . 87 ILE HA . 19320 1 1016 . 1 1 87 87 ILE HB H 1 1.809 0.020 . 1 . . . . 87 ILE HB . 19320 1 1017 . 1 1 87 87 ILE HG12 H 1 1.407 0.020 . 1 . . . . 87 ILE HG12 . 19320 1 1018 . 1 1 87 87 ILE HG13 H 1 1.407 0.020 . 1 . . . . 87 ILE HG13 . 19320 1 1019 . 1 1 87 87 ILE HG21 H 1 0.675 0.020 . 1 . . . . 87 ILE HG2 . 19320 1 1020 . 1 1 87 87 ILE HG22 H 1 0.675 0.020 . 1 . . . . 87 ILE HG2 . 19320 1 1021 . 1 1 87 87 ILE HG23 H 1 0.675 0.020 . 1 . . . . 87 ILE HG2 . 19320 1 1022 . 1 1 87 87 ILE HD11 H 1 0.731 0.020 . 1 . . . . 87 ILE HD1 . 19320 1 1023 . 1 1 87 87 ILE HD12 H 1 0.731 0.020 . 1 . . . . 87 ILE HD1 . 19320 1 1024 . 1 1 87 87 ILE HD13 H 1 0.731 0.020 . 1 . . . . 87 ILE HD1 . 19320 1 1025 . 1 1 87 87 ILE C C 13 175.362 0.3 . 1 . . . . 87 ILE C . 19320 1 1026 . 1 1 87 87 ILE CA C 13 59.635 0.3 . 1 . . . . 87 ILE CA . 19320 1 1027 . 1 1 87 87 ILE CB C 13 41.004 0.3 . 1 . . . . 87 ILE CB . 19320 1 1028 . 1 1 87 87 ILE CG1 C 13 24.658 0.3 . 1 . . . . 87 ILE CG1 . 19320 1 1029 . 1 1 87 87 ILE CG2 C 13 18.415 0.3 . 1 . . . . 87 ILE CG2 . 19320 1 1030 . 1 1 87 87 ILE CD1 C 13 14.952 0.3 . 1 . . . . 87 ILE CD1 . 19320 1 1031 . 1 1 87 87 ILE N N 15 122.166 0.3 . 1 . . . . 87 ILE N . 19320 1 1032 . 1 1 88 88 LYS H H 1 8.351 0.020 . 1 . . . . 88 LYS H . 19320 1 1033 . 1 1 88 88 LYS HA H 1 5.199 0.020 . 1 . . . . 88 LYS HA . 19320 1 1034 . 1 1 88 88 LYS HB2 H 1 1.807 0.020 . 2 . . . . 88 LYS HB2 . 19320 1 1035 . 1 1 88 88 LYS HB3 H 1 1.563 0.020 . 2 . . . . 88 LYS HB3 . 19320 1 1036 . 1 1 88 88 LYS HG2 H 1 1.538 0.020 . 1 . . . . 88 LYS HG2 . 19320 1 1037 . 1 1 88 88 LYS HG3 H 1 1.538 0.020 . 1 . . . . 88 LYS HG3 . 19320 1 1038 . 1 1 88 88 LYS HD2 H 1 1.689 0.020 . 1 . . . . 88 LYS HD2 . 19320 1 1039 . 1 1 88 88 LYS HD3 H 1 1.689 0.020 . 1 . . . . 88 LYS HD3 . 19320 1 1040 . 1 1 88 88 LYS HE2 H 1 2.953 0.020 . 1 . . . . 88 LYS HE2 . 19320 1 1041 . 1 1 88 88 LYS HE3 H 1 2.953 0.020 . 1 . . . . 88 LYS HE3 . 19320 1 1042 . 1 1 88 88 LYS C C 13 176.049 0.3 . 1 . . . . 88 LYS C . 19320 1 1043 . 1 1 88 88 LYS CA C 13 53.958 0.3 . 1 . . . . 88 LYS CA . 19320 1 1044 . 1 1 88 88 LYS CB C 13 34.964 0.3 . 1 . . . . 88 LYS CB . 19320 1 1045 . 1 1 88 88 LYS CG C 13 24.298 0.3 . 1 . . . . 88 LYS CG . 19320 1 1046 . 1 1 88 88 LYS CD C 13 28.799 0.3 . 1 . . . . 88 LYS CD . 19320 1 1047 . 1 1 88 88 LYS CE C 13 41.939 0.3 . 1 . . . . 88 LYS CE . 19320 1 1048 . 1 1 88 88 LYS N N 15 121.695 0.3 . 1 . . . . 88 LYS N . 19320 1 1049 . 1 1 89 89 VAL H H 1 9.548 0.020 . 1 . . . . 89 VAL H . 19320 1 1050 . 1 1 89 89 VAL HA H 1 4.966 0.020 . 1 . . . . 89 VAL HA . 19320 1 1051 . 1 1 89 89 VAL HB H 1 1.947 0.020 . 1 . . . . 89 VAL HB . 19320 1 1052 . 1 1 89 89 VAL HG11 H 1 0.975 0.020 . 2 . . . . 89 VAL HG1 . 19320 1 1053 . 1 1 89 89 VAL HG12 H 1 0.975 0.020 . 2 . . . . 89 VAL HG1 . 19320 1 1054 . 1 1 89 89 VAL HG13 H 1 0.975 0.020 . 2 . . . . 89 VAL HG1 . 19320 1 1055 . 1 1 89 89 VAL HG21 H 1 1.102 0.020 . 2 . . . . 89 VAL HG2 . 19320 1 1056 . 1 1 89 89 VAL HG22 H 1 1.102 0.020 . 2 . . . . 89 VAL HG2 . 19320 1 1057 . 1 1 89 89 VAL HG23 H 1 1.102 0.020 . 2 . . . . 89 VAL HG2 . 19320 1 1058 . 1 1 89 89 VAL C C 13 173.174 0.3 . 1 . . . . 89 VAL C . 19320 1 1059 . 1 1 89 89 VAL CA C 13 61.266 0.3 . 1 . . . . 89 VAL CA . 19320 1 1060 . 1 1 89 89 VAL CB C 13 34.783 0.3 . 1 . . . . 89 VAL CB . 19320 1 1061 . 1 1 89 89 VAL CG1 C 13 24.203 0.3 . 1 . . . . 89 VAL CG1 . 19320 1 1062 . 1 1 89 89 VAL CG2 C 13 22.318 0.3 . 1 . . . . 89 VAL CG2 . 19320 1 1063 . 1 1 89 89 VAL N N 15 125.972 0.3 . 1 . . . . 89 VAL N . 19320 1 1064 . 1 1 90 90 SER H H 1 8.931 0.020 . 1 . . . . 90 SER H . 19320 1 1065 . 1 1 90 90 SER HA H 1 4.705 0.020 . 1 . . . . 90 SER HA . 19320 1 1066 . 1 1 90 90 SER HB2 H 1 4.105 0.020 . 2 . . . . 90 SER HB2 . 19320 1 1067 . 1 1 90 90 SER HB3 H 1 3.968 0.020 . 2 . . . . 90 SER HB3 . 19320 1 1068 . 1 1 90 90 SER C C 13 173.918 0.3 . 1 . . . . 90 SER C . 19320 1 1069 . 1 1 90 90 SER CA C 13 56.735 0.3 . 1 . . . . 90 SER CA . 19320 1 1070 . 1 1 90 90 SER CB C 13 66.431 0.3 . 1 . . . . 90 SER CB . 19320 1 1071 . 1 1 90 90 SER N N 15 119.623 0.3 . 1 . . . . 90 SER N . 19320 1 1072 . 1 1 91 91 PHE H H 1 8.933 0.020 . 1 . . . . 91 PHE H . 19320 1 1073 . 1 1 91 91 PHE HA H 1 4.798 0.020 . 1 . . . . 91 PHE HA . 19320 1 1074 . 1 1 91 91 PHE HB2 H 1 3.201 0.020 . 2 . . . . 91 PHE HB2 . 19320 1 1075 . 1 1 91 91 PHE HB3 H 1 2.891 0.020 . 2 . . . . 91 PHE HB3 . 19320 1 1076 . 1 1 91 91 PHE HD1 H 1 7.351 0.020 . 1 . . . . 91 PHE HD1 . 19320 1 1077 . 1 1 91 91 PHE HD2 H 1 7.351 0.020 . 1 . . . . 91 PHE HD2 . 19320 1 1078 . 1 1 91 91 PHE HE1 H 1 6.846 0.020 . 1 . . . . 91 PHE HE1 . 19320 1 1079 . 1 1 91 91 PHE HE2 H 1 6.846 0.020 . 1 . . . . 91 PHE HE2 . 19320 1 1080 . 1 1 91 91 PHE HZ H 1 7.188 0.020 . 1 . . . . 91 PHE HZ . 19320 1 1081 . 1 1 91 91 PHE C C 13 176.967 0.3 . 1 . . . . 91 PHE C . 19320 1 1082 . 1 1 91 91 PHE CA C 13 60.642 0.3 . 1 . . . . 91 PHE CA . 19320 1 1083 . 1 1 91 91 PHE CB C 13 39.426 0.3 . 1 . . . . 91 PHE CB . 19320 1 1084 . 1 1 91 91 PHE CD1 C 13 131.515 0.3 . 1 . . . . 91 PHE CD1 . 19320 1 1085 . 1 1 91 91 PHE CD2 C 13 131.515 0.3 . 1 . . . . 91 PHE CD2 . 19320 1 1086 . 1 1 91 91 PHE CE1 C 13 130.552 0.3 . 1 . . . . 91 PHE CE1 . 19320 1 1087 . 1 1 91 91 PHE CE2 C 13 130.552 0.3 . 1 . . . . 91 PHE CE2 . 19320 1 1088 . 1 1 91 91 PHE CZ C 13 129.420 0.3 . 1 . . . . 91 PHE CZ . 19320 1 1089 . 1 1 91 91 PHE N N 15 119.951 0.3 . 1 . . . . 91 PHE N . 19320 1 1090 . 1 1 92 92 ALA H H 1 8.563 0.020 . 1 . . . . 92 ALA H . 19320 1 1091 . 1 1 92 92 ALA HA H 1 4.374 0.020 . 1 . . . . 92 ALA HA . 19320 1 1092 . 1 1 92 92 ALA HB1 H 1 1.276 0.020 . 1 . . . . 92 ALA HB . 19320 1 1093 . 1 1 92 92 ALA HB2 H 1 1.276 0.020 . 1 . . . . 92 ALA HB . 19320 1 1094 . 1 1 92 92 ALA HB3 H 1 1.276 0.020 . 1 . . . . 92 ALA HB . 19320 1 1095 . 1 1 92 92 ALA C C 13 177.292 0.3 . 1 . . . . 92 ALA C . 19320 1 1096 . 1 1 92 92 ALA CA C 13 51.976 0.3 . 1 . . . . 92 ALA CA . 19320 1 1097 . 1 1 92 92 ALA CB C 13 19.619 0.3 . 1 . . . . 92 ALA CB . 19320 1 1098 . 1 1 92 92 ALA N N 15 124.430 0.3 . 1 . . . . 92 ALA N . 19320 1 1099 . 1 1 93 93 THR H H 1 8.333 0.020 . 1 . . . . 93 THR H . 19320 1 1100 . 1 1 93 93 THR HA H 1 4.242 0.020 . 1 . . . . 93 THR HA . 19320 1 1101 . 1 1 93 93 THR HB H 1 4.133 0.020 . 1 . . . . 93 THR HB . 19320 1 1102 . 1 1 93 93 THR HG21 H 1 1.156 0.020 . 1 . . . . 93 THR HG2 . 19320 1 1103 . 1 1 93 93 THR HG22 H 1 1.156 0.020 . 1 . . . . 93 THR HG2 . 19320 1 1104 . 1 1 93 93 THR HG23 H 1 1.156 0.020 . 1 . . . . 93 THR HG2 . 19320 1 1105 . 1 1 93 93 THR C C 13 174.324 0.3 . 1 . . . . 93 THR C . 19320 1 1106 . 1 1 93 93 THR CA C 13 61.945 0.3 . 1 . . . . 93 THR CA . 19320 1 1107 . 1 1 93 93 THR CB C 13 69.692 0.3 . 1 . . . . 93 THR CB . 19320 1 1108 . 1 1 93 93 THR CG2 C 13 21.643 0.3 . 1 . . . . 93 THR CG2 . 19320 1 1109 . 1 1 93 93 THR N N 15 115.093 0.3 . 1 . . . . 93 THR N . 19320 1 1110 . 1 1 94 94 ARG H H 1 8.177 0.020 . 1 . . . . 94 ARG H . 19320 1 1111 . 1 1 94 94 ARG HA H 1 4.337 0.020 . 1 . . . . 94 ARG HA . 19320 1 1112 . 1 1 94 94 ARG HB2 H 1 1.687 0.020 . 1 . . . . 94 ARG HB2 . 19320 1 1113 . 1 1 94 94 ARG HB3 H 1 1.687 0.020 . 1 . . . . 94 ARG HB3 . 19320 1 1114 . 1 1 94 94 ARG HG2 H 1 1.556 0.020 . 1 . . . . 94 ARG HG2 . 19320 1 1115 . 1 1 94 94 ARG HG3 H 1 1.556 0.020 . 1 . . . . 94 ARG HG3 . 19320 1 1116 . 1 1 94 94 ARG HD2 H 1 3.119 0.020 . 1 . . . . 94 ARG HD2 . 19320 1 1117 . 1 1 94 94 ARG HD3 H 1 3.119 0.020 . 1 . . . . 94 ARG HD3 . 19320 1 1118 . 1 1 94 94 ARG C C 13 175.699 0.3 . 1 . . . . 94 ARG C . 19320 1 1119 . 1 1 94 94 ARG CA C 13 55.760 0.3 . 1 . . . . 94 ARG CA . 19320 1 1120 . 1 1 94 94 ARG CB C 13 30.990 0.3 . 1 . . . . 94 ARG CB . 19320 1 1121 . 1 1 94 94 ARG CG C 13 26.877 0.3 . 1 . . . . 94 ARG CG . 19320 1 1122 . 1 1 94 94 ARG CD C 13 43.321 0.3 . 1 . . . . 94 ARG CD . 19320 1 1123 . 1 1 94 94 ARG N N 15 123.290 0.3 . 1 . . . . 94 ARG N . 19320 1 1124 . 1 1 95 95 ARG H H 1 8.524 0.020 . 1 . . . . 95 ARG H . 19320 1 1125 . 1 1 95 95 ARG C C 13 174.218 0.3 . 1 . . . . 95 ARG C . 19320 1 1126 . 1 1 95 95 ARG CA C 13 53.920 0.3 . 1 . . . . 95 ARG CA . 19320 1 1127 . 1 1 95 95 ARG CB C 13 30.156 0.3 . 1 . . . . 95 ARG CB . 19320 1 1128 . 1 1 95 95 ARG N N 15 124.572 0.3 . 1 . . . . 95 ARG N . 19320 1 1129 . 1 1 96 96 PRO HA H 1 4.375 0.020 . 1 . . . . 96 PRO HA . 19320 1 1130 . 1 1 96 96 PRO HB2 H 1 2.207 0.020 . 1 . . . . 96 PRO HB2 . 19320 1 1131 . 1 1 96 96 PRO HB3 H 1 2.207 0.020 . 1 . . . . 96 PRO HB3 . 19320 1 1132 . 1 1 96 96 PRO HG2 H 1 1.975 0.020 . 2 . . . . 96 PRO HG2 . 19320 1 1133 . 1 1 96 96 PRO HG3 H 1 1.914 0.020 . 2 . . . . 96 PRO HG3 . 19320 1 1134 . 1 1 96 96 PRO HD2 H 1 3.744 0.020 . 2 . . . . 96 PRO HD2 . 19320 1 1135 . 1 1 96 96 PRO HD3 H 1 3.593 0.020 . 2 . . . . 96 PRO HD3 . 19320 1 1136 . 1 1 96 96 PRO C C 13 175.873 0.3 . 1 . . . . 96 PRO C . 19320 1 1137 . 1 1 96 96 PRO CA C 13 63.289 0.3 . 1 . . . . 96 PRO CA . 19320 1 1138 . 1 1 96 96 PRO CB C 13 31.847 0.3 . 1 . . . . 96 PRO CB . 19320 1 1139 . 1 1 96 96 PRO CG C 13 27.378 0.3 . 1 . . . . 96 PRO CG . 19320 1 1140 . 1 1 96 96 PRO CD C 13 50.625 0.3 . 1 . . . . 96 PRO CD . 19320 1 1141 . 1 1 97 97 GLU H H 1 8.020 0.020 . 1 . . . . 97 GLU H . 19320 1 1142 . 1 1 97 97 GLU C C 13 181.036 0.3 . 1 . . . . 97 GLU C . 19320 1 1143 . 1 1 97 97 GLU CA C 13 57.965 0.3 . 1 . . . . 97 GLU CA . 19320 1 1144 . 1 1 97 97 GLU CB C 13 31.251 0.3 . 1 . . . . 97 GLU CB . 19320 1 1145 . 1 1 97 97 GLU N N 15 126.318 0.3 . 1 . . . . 97 GLU N . 19320 1 stop_ save_