data_15152 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15152 _Entry.Title ; Hydrogenase isoenzymes formation protein HypC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-01 _Entry.Accession_date 2007-03-01 _Entry.Last_release_date 2007-10-24 _Entry.Original_release_date 2007-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Lei Wang . . . 15152 2 Changwen Jin . . . 15152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 15152 '15N chemical shifts' 100 15152 '1H chemical shifts' 603 15152 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-24 2007-03-01 original author . 15152 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OT2 'BMRB Entry Tracking System' 15152 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15152 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17669368 _Citation.Full_citation . _Citation.Title 'Solution structure of hydrogenase isoenzymes formation protein HypC from Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem Biophys Res Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 361 _Citation.Journal_issue 3 _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 665 _Citation.Page_last 669 _Citation.Year 2007 _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 Lei Wang . . . 15152 1 2 B. Xia . . . 15152 1 3 Changwen Jin . . . 15152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15152 _Assembly.ID 1 _Assembly.Name HypC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 9594.40 _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 HypC 1 $HypC A . yes native no no . . . 15152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HypC _Entity.Sf_category entity _Entity.Sf_framecode HypC _Entity.Entry_ID 15152 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HypC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MCIGVPGQIRTIDGNQAKVD VCGIQRDVDLTLVGSCDENG QPRVGQWVLVHVGFAMSVIN EAEARDTLDALQNMFDVEPD VGALLYGEEK ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9742.051 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2OT2 . "Solution Structure Of Hypc" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 2 no DBJ BAB37007 . "hydrogenase isoenzyme HypC [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 3 no DBJ BAE76805 . "protein required for maturation of hydrogenases 1 and 3 [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 4 no DBJ BAG78500 . "hydrogenase isoenzyme [Escherichia coli SE11]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 5 no DBJ BAI26986 . "HypC protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 6 no DBJ BAI32015 . "HypC protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 7 no EMBL CAA38414 . "hydrogenase isoenzyme hypC [Escherichia coli]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 8 no EMBL CAP77164 . "hydrogenase isoenzymes formation protein hypC [Escherichia coli LF82]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 9 no EMBL CAQ33060 . "protein involved in hydrogenase 3 maturation [Escherichia coli BL21(DE3)]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 10 no EMBL CAQ87912 . "protein required for maturation of hydrogenases 1 and 3 [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 11 no EMBL CAQ99647 . "protein required for maturation of hydrogenases 1 and 3 [Escherichia coli IAI1]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 12 no GB AAA69238 . "CG Site no. 33113; ORF_o90 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 13 no GB AAC75770 . "hydrogenase maturation protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 14 no GB AAG57836 . "pleiotrophic effects on 3 hydrogenase isozymes [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 15 no GB AAN44236 . "hydrogenase isoenzyme HypC [Shigella flexneri 2a str. 301]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 16 no GB AAN81737 . "Hydrogenase isoenzymes formation protein hypC [Escherichia coli CFT073]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 17 no REF NP_311611 . "hydrogenase assembly chaperone [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 18 no REF NP_417208 . "hydrogenase maturation protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 19 no REF NP_708529 . "hydrogenase assembly chaperone [Shigella flexneri 2a str. 301]" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 20 no REF WP_000334869 . "MULTISPECIES: hydrogenase assembly chaperone [Escherichia]" . . . . . 100.00 90 97.78 97.78 1.23e-55 . . . . 15152 1 21 no REF WP_000334872 . "MULTISPECIES: hydrogenase assembly protein HypC [Escherichia]" . . . . . 100.00 90 98.89 98.89 8.14e-57 . . . . 15152 1 22 no SP P0AAM3 . "RecName: Full=Hydrogenase isoenzymes formation protein HypC" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 23 no SP P0AAM4 . "RecName: Full=Hydrogenase isoenzymes formation protein HypC" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 24 no SP P0AAM5 . "RecName: Full=Hydrogenase isoenzymes formation protein HypC" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 25 no SP P0AAM6 . "RecName: Full=Hydrogenase isoenzymes formation protein HypC" . . . . . 100.00 90 100.00 100.00 1.77e-57 . . . . 15152 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15152 1 2 . CYS . 15152 1 3 . ILE . 15152 1 4 . GLY . 15152 1 5 . VAL . 15152 1 6 . PRO . 15152 1 7 . GLY . 15152 1 8 . GLN . 15152 1 9 . ILE . 15152 1 10 . ARG . 15152 1 11 . THR . 15152 1 12 . ILE . 15152 1 13 . ASP . 15152 1 14 . GLY . 15152 1 15 . ASN . 15152 1 16 . GLN . 15152 1 17 . ALA . 15152 1 18 . LYS . 15152 1 19 . VAL . 15152 1 20 . ASP . 15152 1 21 . VAL . 15152 1 22 . CYS . 15152 1 23 . GLY . 15152 1 24 . ILE . 15152 1 25 . GLN . 15152 1 26 . ARG . 15152 1 27 . ASP . 15152 1 28 . VAL . 15152 1 29 . ASP . 15152 1 30 . LEU . 15152 1 31 . THR . 15152 1 32 . LEU . 15152 1 33 . VAL . 15152 1 34 . GLY . 15152 1 35 . SER . 15152 1 36 . CYS . 15152 1 37 . ASP . 15152 1 38 . GLU . 15152 1 39 . ASN . 15152 1 40 . GLY . 15152 1 41 . GLN . 15152 1 42 . PRO . 15152 1 43 . ARG . 15152 1 44 . VAL . 15152 1 45 . GLY . 15152 1 46 . GLN . 15152 1 47 . TRP . 15152 1 48 . VAL . 15152 1 49 . LEU . 15152 1 50 . VAL . 15152 1 51 . HIS . 15152 1 52 . VAL . 15152 1 53 . GLY . 15152 1 54 . PHE . 15152 1 55 . ALA . 15152 1 56 . MET . 15152 1 57 . SER . 15152 1 58 . VAL . 15152 1 59 . ILE . 15152 1 60 . ASN . 15152 1 61 . GLU . 15152 1 62 . ALA . 15152 1 63 . GLU . 15152 1 64 . ALA . 15152 1 65 . ARG . 15152 1 66 . ASP . 15152 1 67 . THR . 15152 1 68 . LEU . 15152 1 69 . ASP . 15152 1 70 . ALA . 15152 1 71 . LEU . 15152 1 72 . GLN . 15152 1 73 . ASN . 15152 1 74 . MET . 15152 1 75 . PHE . 15152 1 76 . ASP . 15152 1 77 . VAL . 15152 1 78 . GLU . 15152 1 79 . PRO . 15152 1 80 . ASP . 15152 1 81 . VAL . 15152 1 82 . GLY . 15152 1 83 . ALA . 15152 1 84 . LEU . 15152 1 85 . LEU . 15152 1 86 . TYR . 15152 1 87 . GLY . 15152 1 88 . GLU . 15152 1 89 . GLU . 15152 1 90 . LYS . 15152 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15152 1 . CYS 2 2 15152 1 . ILE 3 3 15152 1 . GLY 4 4 15152 1 . VAL 5 5 15152 1 . PRO 6 6 15152 1 . GLY 7 7 15152 1 . GLN 8 8 15152 1 . ILE 9 9 15152 1 . ARG 10 10 15152 1 . THR 11 11 15152 1 . ILE 12 12 15152 1 . ASP 13 13 15152 1 . GLY 14 14 15152 1 . ASN 15 15 15152 1 . GLN 16 16 15152 1 . ALA 17 17 15152 1 . LYS 18 18 15152 1 . VAL 19 19 15152 1 . ASP 20 20 15152 1 . VAL 21 21 15152 1 . CYS 22 22 15152 1 . GLY 23 23 15152 1 . ILE 24 24 15152 1 . GLN 25 25 15152 1 . ARG 26 26 15152 1 . ASP 27 27 15152 1 . VAL 28 28 15152 1 . ASP 29 29 15152 1 . LEU 30 30 15152 1 . THR 31 31 15152 1 . LEU 32 32 15152 1 . VAL 33 33 15152 1 . GLY 34 34 15152 1 . SER 35 35 15152 1 . CYS 36 36 15152 1 . ASP 37 37 15152 1 . GLU 38 38 15152 1 . ASN 39 39 15152 1 . GLY 40 40 15152 1 . GLN 41 41 15152 1 . PRO 42 42 15152 1 . ARG 43 43 15152 1 . VAL 44 44 15152 1 . GLY 45 45 15152 1 . GLN 46 46 15152 1 . TRP 47 47 15152 1 . VAL 48 48 15152 1 . LEU 49 49 15152 1 . VAL 50 50 15152 1 . HIS 51 51 15152 1 . VAL 52 52 15152 1 . GLY 53 53 15152 1 . PHE 54 54 15152 1 . ALA 55 55 15152 1 . MET 56 56 15152 1 . SER 57 57 15152 1 . VAL 58 58 15152 1 . ILE 59 59 15152 1 . ASN 60 60 15152 1 . GLU 61 61 15152 1 . ALA 62 62 15152 1 . GLU 63 63 15152 1 . ALA 64 64 15152 1 . ARG 65 65 15152 1 . ASP 66 66 15152 1 . THR 67 67 15152 1 . LEU 68 68 15152 1 . ASP 69 69 15152 1 . ALA 70 70 15152 1 . LEU 71 71 15152 1 . GLN 72 72 15152 1 . ASN 73 73 15152 1 . MET 74 74 15152 1 . PHE 75 75 15152 1 . ASP 76 76 15152 1 . VAL 77 77 15152 1 . GLU 78 78 15152 1 . PRO 79 79 15152 1 . ASP 80 80 15152 1 . VAL 81 81 15152 1 . GLY 82 82 15152 1 . ALA 83 83 15152 1 . LEU 84 84 15152 1 . LEU 85 85 15152 1 . TYR 86 86 15152 1 . GLY 87 87 15152 1 . GLU 88 88 15152 1 . GLU 89 89 15152 1 . LYS 90 90 15152 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 15152 _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 $HypC . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . hypC . . . . 15152 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 15152 _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 $HypC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 15152 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15152 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HypC '[U-95% 15N]' . . 1 $HypC . . 1 . . mM . . . . 15152 1 2 'potassium phosphate' . . . . . . . 30 . . mM . . . . 15152 1 3 KCl . . . . . . . 30 . . mM . . . . 15152 1 4 dithiothreitol . . . . . . . 25 . . uM . . . . 15152 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 15152 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15152 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HypC '[U-95% 13C; U-95% 15N]' . . 1 $HypC . . 1 . . mM . . . . 15152 2 2 'potassium phosphate' . . . . . . . 30 . . mM . . . . 15152 2 3 KCl . . . . . . . 30 . . mM . . . . 15152 2 4 dithiothreitol . . . . . . . 25 . . uM . . . . 15152 2 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 15152 2 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 15152 _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' 0.06 . M 15152 1 pH 7.0 . pH 15152 1 pressure 1 . atm 15152 1 temperature 298 . K 15152 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15152 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15152 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15152 1 processing 15152 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15152 _Software.ID 2 _Software.Name CYANA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15152 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15152 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15152 _Software.ID 3 _Software.Name AMBER _Software.Version 7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15152 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15152 3 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 15152 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15152 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15152 _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 . 600 'with cryoprobe' . . 15152 1 2 spectrometer_2 Bruker Avance . 800 . . . 15152 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 15152 _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 . . . . . . . . . . . . . . . . . . . . . 15152 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15152 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 15152 _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 internal indirect 0.25144952 . . . . . . . . . 15152 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 15152 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10132905 . . . . . . . . . 15152 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 15152 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 15152 1 9 '3D 1H-15N NOESY' . . . 15152 1 10 '3D 1H-13C NOESY' . . . 15152 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 CYS HA H 1 4.170 0.03 . 1 . . . . 2 CYS HA . 15152 1 2 . 1 1 2 2 CYS HB2 H 1 3.130 0.03 . 1 . . . . 2 CYS HB1 . 15152 1 3 . 1 1 2 2 CYS HB3 H 1 3.130 0.03 . 1 . . . . 2 CYS HB2 . 15152 1 4 . 1 1 2 2 CYS C C 13 182.149 0.3 . 1 . . . . 2 CYS C . 15152 1 5 . 1 1 2 2 CYS CA C 13 68.510 0.3 . 1 . . . . 2 CYS CA . 15152 1 6 . 1 1 2 2 CYS CB C 13 38.760 0.3 . 1 . . . . 2 CYS CB . 15152 1 7 . 1 1 3 3 ILE H H 1 8.099 0.03 . 1 . . . . 3 ILE HN . 15152 1 8 . 1 1 3 3 ILE HA H 1 4.210 0.03 . 1 . . . . 3 ILE HA . 15152 1 9 . 1 1 3 3 ILE HB H 1 1.626 0.03 . 1 . . . . 3 ILE HB . 15152 1 10 . 1 1 3 3 ILE HG12 H 1 0.810 0.03 . 1 . . . . 3 ILE HG11 . 15152 1 11 . 1 1 3 3 ILE HG13 H 1 1.192 0.03 . 1 . . . . 3 ILE HG12 . 15152 1 12 . 1 1 3 3 ILE HG21 H 1 0.610 0.03 . 1 . . . . 3 ILE HG21 . 15152 1 13 . 1 1 3 3 ILE HG22 H 1 0.610 0.03 . 1 . . . . 3 ILE HG21 . 15152 1 14 . 1 1 3 3 ILE HG23 H 1 0.610 0.03 . 1 . . . . 3 ILE HG21 . 15152 1 15 . 1 1 3 3 ILE HD11 H 1 0.609 0.03 . 1 . . . . 3 ILE HD11 . 15152 1 16 . 1 1 3 3 ILE HD12 H 1 0.609 0.03 . 1 . . . . 3 ILE HD11 . 15152 1 17 . 1 1 3 3 ILE HD13 H 1 0.609 0.03 . 1 . . . . 3 ILE HD11 . 15152 1 18 . 1 1 3 3 ILE C C 13 184.030 0.3 . 1 . . . . 3 ILE C . 15152 1 19 . 1 1 3 3 ILE CA C 13 60.279 0.3 . 1 . . . . 3 ILE CA . 15152 1 20 . 1 1 3 3 ILE CB C 13 40.220 0.3 . 1 . . . . 3 ILE CB . 15152 1 21 . 1 1 3 3 ILE CG1 C 13 26.810 0.3 . 1 . . . . 3 ILE CG1 . 15152 1 22 . 1 1 3 3 ILE CG2 C 13 17.514 0.3 . 1 . . . . 3 ILE CG2 . 15152 1 23 . 1 1 3 3 ILE CD1 C 13 12.999 0.3 . 1 . . . . 3 ILE CD1 . 15152 1 24 . 1 1 3 3 ILE N N 15 118.648 0.3 . 1 . . . . 3 ILE N . 15152 1 25 . 1 1 4 4 GLY H H 1 7.776 0.03 . 1 . . . . 4 GLY HN . 15152 1 26 . 1 1 4 4 GLY HA2 H 1 4.003 0.03 . 1 . . . . 4 GLY HA1 . 15152 1 27 . 1 1 4 4 GLY HA3 H 1 4.003 0.03 . 1 . . . . 4 GLY HA2 . 15152 1 28 . 1 1 4 4 GLY C C 13 185.664 0.3 . 1 . . . . 4 GLY C . 15152 1 29 . 1 1 4 4 GLY CA C 13 43.811 0.3 . 1 . . . . 4 GLY CA . 15152 1 30 . 1 1 4 4 GLY N N 15 107.830 0.3 . 1 . . . . 4 GLY N . 15152 1 31 . 1 1 5 5 VAL H H 1 8.523 0.03 . 1 . . . . 5 VAL HN . 15152 1 32 . 1 1 5 5 VAL HA H 1 4.663 0.03 . 1 . . . . 5 VAL HA . 15152 1 33 . 1 1 5 5 VAL HB H 1 1.965 0.03 . 1 . . . . 5 VAL HB . 15152 1 34 . 1 1 5 5 VAL HG11 H 1 1.026 0.03 . 2 . . . . 5 VAL HG11 . 15152 1 35 . 1 1 5 5 VAL HG12 H 1 1.026 0.03 . 2 . . . . 5 VAL HG11 . 15152 1 36 . 1 1 5 5 VAL HG13 H 1 1.026 0.03 . 2 . . . . 5 VAL HG11 . 15152 1 37 . 1 1 5 5 VAL HG21 H 1 1.026 0.03 . 2 . . . . 5 VAL HG21 . 15152 1 38 . 1 1 5 5 VAL HG22 H 1 1.026 0.03 . 2 . . . . 5 VAL HG21 . 15152 1 39 . 1 1 5 5 VAL HG23 H 1 1.026 0.03 . 2 . . . . 5 VAL HG21 . 15152 1 40 . 1 1 5 5 VAL CA C 13 58.685 0.3 . 1 . . . . 5 VAL CA . 15152 1 41 . 1 1 5 5 VAL CB C 13 35.311 0.3 . 1 . . . . 5 VAL CB . 15152 1 42 . 1 1 5 5 VAL CG1 C 13 21.764 0.3 . 1 . . . . 5 VAL CG1 . 15152 1 43 . 1 1 5 5 VAL CG2 C 13 21.764 0.3 . 1 . . . . 5 VAL CG2 . 15152 1 44 . 1 1 5 5 VAL N N 15 119.271 0.3 . 1 . . . . 5 VAL N . 15152 1 45 . 1 1 6 6 PRO HA H 1 5.309 0.03 . 1 . . . . 6 PRO HA . 15152 1 46 . 1 1 6 6 PRO HB2 H 1 2.104 0.03 . 2 . . . . 6 PRO HB1 . 15152 1 47 . 1 1 6 6 PRO HB3 H 1 2.226 0.03 . 2 . . . . 6 PRO HB2 . 15152 1 48 . 1 1 6 6 PRO HG2 H 1 1.815 0.03 . 2 . . . . 6 PRO HG1 . 15152 1 49 . 1 1 6 6 PRO HG3 H 1 2.330 0.03 . 2 . . . . 6 PRO HG2 . 15152 1 50 . 1 1 6 6 PRO HD2 H 1 3.571 0.03 . 2 . . . . 6 PRO HD1 . 15152 1 51 . 1 1 6 6 PRO HD3 H 1 3.871 0.03 . 2 . . . . 6 PRO HD2 . 15152 1 52 . 1 1 6 6 PRO C C 13 181.620 0.3 . 1 . . . . 6 PRO C . 15152 1 53 . 1 1 6 6 PRO CA C 13 62.936 0.3 . 1 . . . . 6 PRO CA . 15152 1 54 . 1 1 6 6 PRO CB C 13 33.450 0.3 . 1 . . . . 6 PRO CB . 15152 1 55 . 1 1 6 6 PRO CG C 13 28.405 0.3 . 1 . . . . 6 PRO CG . 15152 1 56 . 1 1 6 6 PRO CD C 13 50.983 0.3 . 1 . . . . 6 PRO CD . 15152 1 57 . 1 1 7 7 GLY H H 1 9.505 0.03 . 1 . . . . 7 GLY HN . 15152 1 58 . 1 1 7 7 GLY HA2 H 1 3.422 0.03 . 2 . . . . 7 GLY HA1 . 15152 1 59 . 1 1 7 7 GLY HA3 H 1 4.943 0.03 . 2 . . . . 7 GLY HA2 . 15152 1 60 . 1 1 7 7 GLY C C 13 187.280 0.3 . 1 . . . . 7 GLY C . 15152 1 61 . 1 1 7 7 GLY CA C 13 45.930 0.3 . 1 . . . . 7 GLY CA . 15152 1 62 . 1 1 7 7 GLY N N 15 109.868 0.3 . 1 . . . . 7 GLY N . 15152 1 63 . 1 1 8 8 GLN H H 1 7.870 0.03 . 1 . . . . 8 GLN HN . 15152 1 64 . 1 1 8 8 GLN HA H 1 4.195 0.03 . 1 . . . . 8 GLN HA . 15152 1 65 . 1 1 8 8 GLN HB2 H 1 -0.653 0.03 . 2 . . . . 8 GLN HB1 . 15152 1 66 . 1 1 8 8 GLN HB3 H 1 1.224 0.03 . 2 . . . . 8 GLN HB2 . 15152 1 67 . 1 1 8 8 GLN HG2 H 1 0.682 0.03 . 2 . . . . 8 GLN HG1 . 15152 1 68 . 1 1 8 8 GLN HG3 H 1 1.340 0.03 . 2 . . . . 8 GLN HG2 . 15152 1 69 . 1 1 8 8 GLN HE21 H 1 7.455 0.03 . 2 . . . . 8 GLN HE21 . 15152 1 70 . 1 1 8 8 GLN HE22 H 1 6.863 0.03 . 2 . . . . 8 GLN HE22 . 15152 1 71 . 1 1 8 8 GLN C C 13 181.925 0.3 . 1 . . . . 8 GLN C . 15152 1 72 . 1 1 8 8 GLN CA C 13 53.639 0.3 . 1 . . . . 8 GLN CA . 15152 1 73 . 1 1 8 8 GLN CB C 13 29.467 0.3 . 1 . . . . 8 GLN CB . 15152 1 74 . 1 1 8 8 GLN CG C 13 32.655 0.3 . 1 . . . . 8 GLN CG . 15152 1 75 . 1 1 8 8 GLN N N 15 122.443 0.3 . 1 . . . . 8 GLN N . 15152 1 76 . 1 1 8 8 GLN NE2 N 15 111.790 0.3 . 1 . . . . 8 GLN NE2 . 15152 1 77 . 1 1 9 9 ILE H H 1 8.948 0.03 . 1 . . . . 9 ILE HN . 15152 1 78 . 1 1 9 9 ILE HA H 1 3.585 0.03 . 1 . . . . 9 ILE HA . 15152 1 79 . 1 1 9 9 ILE HB H 1 1.990 0.03 . 1 . . . . 9 ILE HB . 15152 1 80 . 1 1 9 9 ILE HG12 H 1 0.557 0.03 . 1 . . . . 9 ILE HG11 . 15152 1 81 . 1 1 9 9 ILE HG13 H 1 1.706 0.03 . 1 . . . . 9 ILE HG12 . 15152 1 82 . 1 1 9 9 ILE HG21 H 1 0.628 0.03 . 1 . . . . 9 ILE HG21 . 15152 1 83 . 1 1 9 9 ILE HG22 H 1 0.628 0.03 . 1 . . . . 9 ILE HG21 . 15152 1 84 . 1 1 9 9 ILE HG23 H 1 0.628 0.03 . 1 . . . . 9 ILE HG21 . 15152 1 85 . 1 1 9 9 ILE HD11 H 1 0.720 0.03 . 1 . . . . 9 ILE HD11 . 15152 1 86 . 1 1 9 9 ILE HD12 H 1 0.720 0.03 . 1 . . . . 9 ILE HD11 . 15152 1 87 . 1 1 9 9 ILE HD13 H 1 0.720 0.03 . 1 . . . . 9 ILE HD11 . 15152 1 88 . 1 1 9 9 ILE C C 13 181.140 0.3 . 1 . . . . 9 ILE C . 15152 1 89 . 1 1 9 9 ILE CA C 13 64.264 0.3 . 1 . . . . 9 ILE CA . 15152 1 90 . 1 1 9 9 ILE CB C 13 37.702 0.3 . 1 . . . . 9 ILE CB . 15152 1 91 . 1 1 9 9 ILE CG1 C 13 28.936 0.3 . 1 . . . . 9 ILE CG1 . 15152 1 92 . 1 1 9 9 ILE CG2 C 13 19.108 0.3 . 1 . . . . 9 ILE CG2 . 15152 1 93 . 1 1 9 9 ILE CD1 C 13 14.858 0.3 . 1 . . . . 9 ILE CD1 . 15152 1 94 . 1 1 9 9 ILE N N 15 128.616 0.3 . 1 . . . . 9 ILE N . 15152 1 95 . 1 1 10 10 ARG H H 1 9.410 0.03 . 1 . . . . 10 ARG HN . 15152 1 96 . 1 1 10 10 ARG HA H 1 4.487 0.03 . 1 . . . . 10 ARG HA . 15152 1 97 . 1 1 10 10 ARG HB2 H 1 1.786 0.03 . 1 . . . . 10 ARG HB1 . 15152 1 98 . 1 1 10 10 ARG HB3 H 1 1.786 0.03 . 1 . . . . 10 ARG HB2 . 15152 1 99 . 1 1 10 10 ARG HG2 H 1 1.597 0.03 . 1 . . . . 10 ARG HG1 . 15152 1 100 . 1 1 10 10 ARG HG3 H 1 1.597 0.03 . 1 . . . . 10 ARG HG2 . 15152 1 101 . 1 1 10 10 ARG HD2 H 1 2.965 0.03 . 2 . . . . 10 ARG HD1 . 15152 1 102 . 1 1 10 10 ARG HD3 H 1 3.112 0.03 . 2 . . . . 10 ARG HD2 . 15152 1 103 . 1 1 10 10 ARG HE H 1 7.408 0.03 . 1 . . . . 10 ARG HE . 15152 1 104 . 1 1 10 10 ARG C C 13 181.934 0.3 . 1 . . . . 10 ARG C . 15152 1 105 . 1 1 10 10 ARG CA C 13 56.561 0.3 . 1 . . . . 10 ARG CA . 15152 1 106 . 1 1 10 10 ARG CB C 13 31.061 0.3 . 1 . . . . 10 ARG CB . 15152 1 107 . 1 1 10 10 ARG CG C 13 26.014 0.3 . 1 . . . . 10 ARG CG . 15152 1 108 . 1 1 10 10 ARG CD C 13 42.217 0.3 . 1 . . . . 10 ARG CD . 15152 1 109 . 1 1 10 10 ARG N N 15 131.108 0.3 . 1 . . . . 10 ARG N . 15152 1 110 . 1 1 10 10 ARG NE N 15 114.230 0.3 . 1 . . . . 10 ARG NE . 15152 1 111 . 1 1 11 11 THR H H 1 7.504 0.03 . 1 . . . . 11 THR HN . 15152 1 112 . 1 1 11 11 THR HA H 1 4.547 0.03 . 1 . . . . 11 THR HA . 15152 1 113 . 1 1 11 11 THR HB H 1 4.069 0.03 . 1 . . . . 11 THR HB . 15152 1 114 . 1 1 11 11 THR HG21 H 1 1.103 0.03 . 1 . . . . 11 THR HG21 . 15152 1 115 . 1 1 11 11 THR HG22 H 1 1.103 0.03 . 1 . . . . 11 THR HG21 . 15152 1 116 . 1 1 11 11 THR HG23 H 1 1.103 0.03 . 1 . . . . 11 THR HG21 . 15152 1 117 . 1 1 11 11 THR C C 13 185.327 0.3 . 1 . . . . 11 THR C . 15152 1 118 . 1 1 11 11 THR CA C 13 60.279 0.3 . 1 . . . . 11 THR CA . 15152 1 119 . 1 1 11 11 THR CB C 13 72.232 0.3 . 1 . . . . 11 THR CB . 15152 1 120 . 1 1 11 11 THR CG2 C 13 22.030 0.3 . 1 . . . . 11 THR CG2 . 15152 1 121 . 1 1 11 11 THR N N 15 109.472 0.3 . 1 . . . . 11 THR N . 15152 1 122 . 1 1 12 12 ILE H H 1 8.589 0.03 . 1 . . . . 12 ILE HN . 15152 1 123 . 1 1 12 12 ILE HA H 1 4.421 0.03 . 1 . . . . 12 ILE HA . 15152 1 124 . 1 1 12 12 ILE HB H 1 1.458 0.03 . 1 . . . . 12 ILE HB . 15152 1 125 . 1 1 12 12 ILE HG12 H 1 0.696 0.03 . 1 . . . . 12 ILE HG11 . 15152 1 126 . 1 1 12 12 ILE HG13 H 1 1.282 0.03 . 1 . . . . 12 ILE HG12 . 15152 1 127 . 1 1 12 12 ILE HG21 H 1 0.812 0.03 . 1 . . . . 12 ILE HG21 . 15152 1 128 . 1 1 12 12 ILE HG22 H 1 0.812 0.03 . 1 . . . . 12 ILE HG21 . 15152 1 129 . 1 1 12 12 ILE HG23 H 1 0.812 0.03 . 1 . . . . 12 ILE HG21 . 15152 1 130 . 1 1 12 12 ILE HD11 H 1 0.836 0.03 . 1 . . . . 12 ILE HD11 . 15152 1 131 . 1 1 12 12 ILE HD12 H 1 0.836 0.03 . 1 . . . . 12 ILE HD11 . 15152 1 132 . 1 1 12 12 ILE HD13 H 1 0.836 0.03 . 1 . . . . 12 ILE HD11 . 15152 1 133 . 1 1 12 12 ILE C C 13 183.387 0.3 . 1 . . . . 12 ILE C . 15152 1 134 . 1 1 12 12 ILE CA C 13 61.342 0.3 . 1 . . . . 12 ILE CA . 15152 1 135 . 1 1 12 12 ILE CB C 13 42.217 0.3 . 1 . . . . 12 ILE CB . 15152 1 136 . 1 1 12 12 ILE CG1 C 13 28.671 0.3 . 1 . . . . 12 ILE CG1 . 15152 1 137 . 1 1 12 12 ILE CG2 C 13 18.577 0.3 . 1 . . . . 12 ILE CG2 . 15152 1 138 . 1 1 12 12 ILE CD1 C 13 15.921 0.3 . 1 . . . . 12 ILE CD1 . 15152 1 139 . 1 1 12 12 ILE N N 15 121.706 0.3 . 1 . . . . 12 ILE N . 15152 1 140 . 1 1 13 13 ASP H H 1 8.777 0.03 . 1 . . . . 13 ASP HN . 15152 1 141 . 1 1 13 13 ASP HA H 1 4.760 0.03 . 1 . . . . 13 ASP HA . 15152 1 142 . 1 1 13 13 ASP HB2 H 1 2.423 0.03 . 2 . . . . 13 ASP HB1 . 15152 1 143 . 1 1 13 13 ASP HB3 H 1 2.707 0.03 . 2 . . . . 13 ASP HB2 . 15152 1 144 . 1 1 13 13 ASP C C 13 181.760 0.3 . 1 . . . . 13 ASP C . 15152 1 145 . 1 1 13 13 ASP CA C 13 53.320 0.3 . 1 . . . . 13 ASP CA . 15152 1 146 . 1 1 13 13 ASP CB C 13 42.217 0.3 . 1 . . . . 13 ASP CB . 15152 1 147 . 1 1 13 13 ASP N N 15 128.673 0.3 . 1 . . . . 13 ASP N . 15152 1 148 . 1 1 14 14 GLY H H 1 8.993 0.03 . 1 . . . . 14 GLY HN . 15152 1 149 . 1 1 14 14 GLY HA2 H 1 3.576 0.03 . 2 . . . . 14 GLY HA1 . 15152 1 150 . 1 1 14 14 GLY HA3 H 1 3.968 0.03 . 2 . . . . 14 GLY HA2 . 15152 1 151 . 1 1 14 14 GLY C C 13 183.708 0.3 . 1 . . . . 14 GLY C . 15152 1 152 . 1 1 14 14 GLY CA C 13 47.264 0.3 . 1 . . . . 14 GLY CA . 15152 1 153 . 1 1 14 14 GLY N N 15 117.118 0.3 . 1 . . . . 14 GLY N . 15152 1 154 . 1 1 15 15 ASN H H 1 8.851 0.03 . 1 . . . . 15 ASN HN . 15152 1 155 . 1 1 15 15 ASN HA H 1 4.820 0.03 . 1 . . . . 15 ASN HA . 15152 1 156 . 1 1 15 15 ASN HB2 H 1 2.674 0.03 . 2 . . . . 15 ASN HB1 . 15152 1 157 . 1 1 15 15 ASN HB3 H 1 2.941 0.03 . 2 . . . . 15 ASN HB2 . 15152 1 158 . 1 1 15 15 ASN HD21 H 1 7.505 0.03 . 2 . . . . 15 ASN HD21 . 15152 1 159 . 1 1 15 15 ASN HD22 H 1 7.017 0.03 . 2 . . . . 15 ASN HD22 . 15152 1 160 . 1 1 15 15 ASN C C 13 184.216 0.3 . 1 . . . . 15 ASN C . 15152 1 161 . 1 1 15 15 ASN CA C 13 52.820 0.3 . 1 . . . . 15 ASN CA . 15152 1 162 . 1 1 15 15 ASN CB C 13 39.030 0.3 . 1 . . . . 15 ASN CB . 15152 1 163 . 1 1 15 15 ASN N N 15 124.935 0.3 . 1 . . . . 15 ASN N . 15152 1 164 . 1 1 15 15 ASN ND2 N 15 113.720 0.3 . 1 . . . . 15 ASN ND2 . 15152 1 165 . 1 1 16 16 GLN H H 1 7.997 0.03 . 1 . . . . 16 GLN HN . 15152 1 166 . 1 1 16 16 GLN HA H 1 4.780 0.03 . 1 . . . . 16 GLN HA . 15152 1 167 . 1 1 16 16 GLN HB2 H 1 2.079 0.03 . 2 . . . . 16 GLN HB1 . 15152 1 168 . 1 1 16 16 GLN HB3 H 1 2.142 0.03 . 2 . . . . 16 GLN HB2 . 15152 1 169 . 1 1 16 16 GLN HG2 H 1 2.314 0.03 . 1 . . . . 16 GLN HG1 . 15152 1 170 . 1 1 16 16 GLN HG3 H 1 2.314 0.03 . 1 . . . . 16 GLN HG2 . 15152 1 171 . 1 1 16 16 GLN HE21 H 1 7.388 0.03 . 2 . . . . 16 GLN HE21 . 15152 1 172 . 1 1 16 16 GLN HE22 H 1 6.608 0.03 . 2 . . . . 16 GLN HE22 . 15152 1 173 . 1 1 16 16 GLN C C 13 183.512 0.3 . 1 . . . . 16 GLN C . 15152 1 174 . 1 1 16 16 GLN CA C 13 54.630 0.3 . 1 . . . . 16 GLN CA . 15152 1 175 . 1 1 16 16 GLN CB C 13 30.790 0.3 . 1 . . . . 16 GLN CB . 15152 1 176 . 1 1 16 16 GLN CG C 13 33.717 0.3 . 1 . . . . 16 GLN CG . 15152 1 177 . 1 1 16 16 GLN N N 15 119.780 0.3 . 1 . . . . 16 GLN N . 15152 1 178 . 1 1 16 16 GLN NE2 N 15 111.796 0.3 . 1 . . . . 16 GLN NE2 . 15152 1 179 . 1 1 17 17 ALA H H 1 9.208 0.03 . 1 . . . . 17 ALA HN . 15152 1 180 . 1 1 17 17 ALA HA H 1 5.280 0.03 . 1 . . . . 17 ALA HA . 15152 1 181 . 1 1 17 17 ALA HB1 H 1 1.217 0.03 . 1 . . . . 17 ALA HB1 . 15152 1 182 . 1 1 17 17 ALA HB2 H 1 1.217 0.03 . 1 . . . . 17 ALA HB1 . 15152 1 183 . 1 1 17 17 ALA HB3 H 1 1.217 0.03 . 1 . . . . 17 ALA HB1 . 15152 1 184 . 1 1 17 17 ALA C C 13 180.348 0.3 . 1 . . . . 17 ALA C . 15152 1 185 . 1 1 17 17 ALA CA C 13 49.920 0.3 . 1 . . . . 17 ALA CA . 15152 1 186 . 1 1 17 17 ALA CB C 13 23.624 0.3 . 1 . . . . 17 ALA CB . 15152 1 187 . 1 1 17 17 ALA N N 15 125.331 0.3 . 1 . . . . 17 ALA N . 15152 1 188 . 1 1 18 18 LYS H H 1 8.219 0.03 . 1 . . . . 18 LYS HN . 15152 1 189 . 1 1 18 18 LYS HA H 1 4.980 0.03 . 1 . . . . 18 LYS HA . 15152 1 190 . 1 1 18 18 LYS HB2 H 1 1.433 0.03 . 2 . . . . 18 LYS HB1 . 15152 1 191 . 1 1 18 18 LYS HB3 H 1 1.958 0.03 . 2 . . . . 18 LYS HB2 . 15152 1 192 . 1 1 18 18 LYS HG2 H 1 1.267 0.03 . 2 . . . . 18 LYS HG1 . 15152 1 193 . 1 1 18 18 LYS HG3 H 1 1.332 0.03 . 2 . . . . 18 LYS HG2 . 15152 1 194 . 1 1 18 18 LYS HD2 H 1 1.622 0.03 . 2 . . . . 18 LYS HD1 . 15152 1 195 . 1 1 18 18 LYS HD3 H 1 1.300 0.03 . 2 . . . . 18 LYS HD2 . 15152 1 196 . 1 1 18 18 LYS HE2 H 1 2.832 0.03 . 1 . . . . 18 LYS HE1 . 15152 1 197 . 1 1 18 18 LYS HE3 H 1 2.832 0.03 . 1 . . . . 18 LYS HE2 . 15152 1 198 . 1 1 18 18 LYS C C 13 181.645 0.3 . 1 . . . . 18 LYS C . 15152 1 199 . 1 1 18 18 LYS CA C 13 54.436 0.3 . 1 . . . . 18 LYS CA . 15152 1 200 . 1 1 18 18 LYS CB C 13 32.390 0.3 . 1 . . . . 18 LYS CB . 15152 1 201 . 1 1 18 18 LYS CG C 13 24.150 0.3 . 1 . . . . 18 LYS CG . 15152 1 202 . 1 1 18 18 LYS CD C 13 28.405 0.3 . 1 . . . . 18 LYS CD . 15152 1 203 . 1 1 18 18 LYS CE C 13 42.217 0.3 . 1 . . . . 18 LYS CE . 15152 1 204 . 1 1 18 18 LYS N N 15 120.517 0.3 . 1 . . . . 18 LYS N . 15152 1 205 . 1 1 19 19 VAL H H 1 9.241 0.03 . 1 . . . . 19 VAL HN . 15152 1 206 . 1 1 19 19 VAL HA H 1 4.437 0.03 . 1 . . . . 19 VAL HA . 15152 1 207 . 1 1 19 19 VAL HB H 1 1.670 0.03 . 1 . . . . 19 VAL HB . 15152 1 208 . 1 1 19 19 VAL HG11 H 1 0.418 0.03 . 2 . . . . 19 VAL HG11 . 15152 1 209 . 1 1 19 19 VAL HG12 H 1 0.418 0.03 . 2 . . . . 19 VAL HG11 . 15152 1 210 . 1 1 19 19 VAL HG13 H 1 0.418 0.03 . 2 . . . . 19 VAL HG11 . 15152 1 211 . 1 1 19 19 VAL HG21 H 1 0.608 0.03 . 2 . . . . 19 VAL HG21 . 15152 1 212 . 1 1 19 19 VAL HG22 H 1 0.608 0.03 . 2 . . . . 19 VAL HG21 . 15152 1 213 . 1 1 19 19 VAL HG23 H 1 0.608 0.03 . 2 . . . . 19 VAL HG21 . 15152 1 214 . 1 1 19 19 VAL C C 13 181.965 0.3 . 1 . . . . 19 VAL C . 15152 1 215 . 1 1 19 19 VAL CA C 13 59.750 0.3 . 1 . . . . 19 VAL CA . 15152 1 216 . 1 1 19 19 VAL CB C 13 35.310 0.3 . 1 . . . . 19 VAL CB . 15152 1 217 . 1 1 19 19 VAL CG1 C 13 21.233 0.3 . 1 . . . . 19 VAL CG1 . 15152 1 218 . 1 1 19 19 VAL CG2 C 13 23.757 0.3 . 1 . . . . 19 VAL CG2 . 15152 1 219 . 1 1 19 19 VAL N N 15 125.784 0.3 . 1 . . . . 19 VAL N . 15152 1 220 . 1 1 20 20 ASP H H 1 8.707 0.03 . 1 . . . . 20 ASP HN . 15152 1 221 . 1 1 20 20 ASP HA H 1 4.494 0.03 . 1 . . . . 20 ASP HA . 15152 1 222 . 1 1 20 20 ASP HB2 H 1 2.262 0.03 . 2 . . . . 20 ASP HB1 . 15152 1 223 . 1 1 20 20 ASP HB3 H 1 2.663 0.03 . 2 . . . . 20 ASP HB2 . 15152 1 224 . 1 1 20 20 ASP C C 13 182.737 0.3 . 1 . . . . 20 ASP C . 15152 1 225 . 1 1 20 20 ASP CA C 13 54.436 0.3 . 1 . . . . 20 ASP CA . 15152 1 226 . 1 1 20 20 ASP CB C 13 41.952 0.3 . 1 . . . . 20 ASP CB . 15152 1 227 . 1 1 20 20 ASP N N 15 128.730 0.3 . 1 . . . . 20 ASP N . 15152 1 228 . 1 1 21 21 VAL H H 1 8.841 0.03 . 1 . . . . 21 VAL HN . 15152 1 229 . 1 1 21 21 VAL HA H 1 4.560 0.03 . 1 . . . . 21 VAL HA . 15152 1 230 . 1 1 21 21 VAL HB H 1 2.054 0.03 . 1 . . . . 21 VAL HB . 15152 1 231 . 1 1 21 21 VAL HG11 H 1 0.760 0.03 . 2 . . . . 21 VAL HG11 . 15152 1 232 . 1 1 21 21 VAL HG12 H 1 0.760 0.03 . 2 . . . . 21 VAL HG11 . 15152 1 233 . 1 1 21 21 VAL HG13 H 1 0.760 0.03 . 2 . . . . 21 VAL HG11 . 15152 1 234 . 1 1 21 21 VAL HG21 H 1 0.900 0.03 . 2 . . . . 21 VAL HG21 . 15152 1 235 . 1 1 21 21 VAL HG22 H 1 0.900 0.03 . 2 . . . . 21 VAL HG21 . 15152 1 236 . 1 1 21 21 VAL HG23 H 1 0.900 0.03 . 2 . . . . 21 VAL HG21 . 15152 1 237 . 1 1 21 21 VAL C C 13 181.629 0.3 . 1 . . . . 21 VAL C . 15152 1 238 . 1 1 21 21 VAL CA C 13 61.340 0.3 . 1 . . . . 21 VAL CA . 15152 1 239 . 1 1 21 21 VAL CB C 13 32.124 0.3 . 1 . . . . 21 VAL CB . 15152 1 240 . 1 1 21 21 VAL CG1 C 13 20.968 0.3 . 1 . . . . 21 VAL CG1 . 15152 1 241 . 1 1 21 21 VAL CG2 C 13 22.030 0.3 . 1 . . . . 21 VAL CG2 . 15152 1 242 . 1 1 21 21 VAL N N 15 128.616 0.3 . 1 . . . . 21 VAL N . 15152 1 243 . 1 1 22 22 CYS H H 1 10.101 0.03 . 1 . . . . 22 CYS HN . 15152 1 244 . 1 1 22 22 CYS HA H 1 4.017 0.03 . 1 . . . . 22 CYS HA . 15152 1 245 . 1 1 22 22 CYS HB2 H 1 2.955 0.03 . 2 . . . . 22 CYS HB1 . 15152 1 246 . 1 1 22 22 CYS HB3 H 1 3.233 0.03 . 2 . . . . 22 CYS HB2 . 15152 1 247 . 1 1 22 22 CYS C C 13 183.192 0.3 . 1 . . . . 22 CYS C . 15152 1 248 . 1 1 22 22 CYS CA C 13 60.280 0.3 . 1 . . . . 22 CYS CA . 15152 1 249 . 1 1 22 22 CYS CB C 13 26.280 0.3 . 1 . . . . 22 CYS CB . 15152 1 250 . 1 1 22 22 CYS N N 15 124.990 0.3 . 1 . . . . 22 CYS N . 15152 1 251 . 1 1 23 23 GLY H H 1 8.567 0.03 . 1 . . . . 23 GLY HN . 15152 1 252 . 1 1 23 23 GLY HA2 H 1 3.815 0.03 . 2 . . . . 23 GLY HA1 . 15152 1 253 . 1 1 23 23 GLY HA3 H 1 4.233 0.03 . 2 . . . . 23 GLY HA2 . 15152 1 254 . 1 1 23 23 GLY C C 13 183.593 0.3 . 1 . . . . 23 GLY C . 15152 1 255 . 1 1 23 23 GLY CA C 13 45.670 0.3 . 1 . . . . 23 GLY CA . 15152 1 256 . 1 1 23 23 GLY N N 15 105.507 0.3 . 1 . . . . 23 GLY N . 15152 1 257 . 1 1 24 24 ILE H H 1 7.560 0.03 . 1 . . . . 24 ILE HN . 15152 1 258 . 1 1 24 24 ILE HA H 1 4.272 0.03 . 1 . . . . 24 ILE HA . 15152 1 259 . 1 1 24 24 ILE HB H 1 1.838 0.03 . 1 . . . . 24 ILE HB . 15152 1 260 . 1 1 24 24 ILE HG12 H 1 1.148 0.03 . 1 . . . . 24 ILE HG11 . 15152 1 261 . 1 1 24 24 ILE HG13 H 1 1.423 0.03 . 1 . . . . 24 ILE HG12 . 15152 1 262 . 1 1 24 24 ILE HG21 H 1 0.825 0.03 . 1 . . . . 24 ILE HG21 . 15152 1 263 . 1 1 24 24 ILE HG22 H 1 0.825 0.03 . 1 . . . . 24 ILE HG21 . 15152 1 264 . 1 1 24 24 ILE HG23 H 1 0.825 0.03 . 1 . . . . 24 ILE HG21 . 15152 1 265 . 1 1 24 24 ILE HD11 H 1 0.823 0.03 . 1 . . . . 24 ILE HD11 . 15152 1 266 . 1 1 24 24 ILE HD12 H 1 0.823 0.03 . 1 . . . . 24 ILE HD11 . 15152 1 267 . 1 1 24 24 ILE HD13 H 1 0.823 0.03 . 1 . . . . 24 ILE HD11 . 15152 1 268 . 1 1 24 24 ILE C C 13 182.097 0.3 . 1 . . . . 24 ILE C . 15152 1 269 . 1 1 24 24 ILE CA C 13 59.217 0.3 . 1 . . . . 24 ILE CA . 15152 1 270 . 1 1 24 24 ILE CB C 13 39.827 0.3 . 1 . . . . 24 ILE CB . 15152 1 271 . 1 1 24 24 ILE CG1 C 13 27.340 0.3 . 1 . . . . 24 ILE CG1 . 15152 1 272 . 1 1 24 24 ILE CG2 C 13 17.514 0.3 . 1 . . . . 24 ILE CG2 . 15152 1 273 . 1 1 24 24 ILE CD1 C 13 12.200 0.3 . 1 . . . . 24 ILE CD1 . 15152 1 274 . 1 1 24 24 ILE N N 15 122.330 0.3 . 1 . . . . 24 ILE N . 15152 1 275 . 1 1 25 25 GLN H H 1 8.707 0.03 . 1 . . . . 25 GLN HN . 15152 1 276 . 1 1 25 25 GLN HA H 1 4.661 0.03 . 1 . . . . 25 GLN HA . 15152 1 277 . 1 1 25 25 GLN HB2 H 1 1.811 0.03 . 2 . . . . 25 GLN HB1 . 15152 1 278 . 1 1 25 25 GLN HB3 H 1 1.950 0.03 . 2 . . . . 25 GLN HB2 . 15152 1 279 . 1 1 25 25 GLN HG2 H 1 1.965 0.03 . 2 . . . . 25 GLN HG1 . 15152 1 280 . 1 1 25 25 GLN HG3 H 1 2.290 0.03 . 2 . . . . 25 GLN HG2 . 15152 1 281 . 1 1 25 25 GLN HE21 H 1 7.683 0.03 . 2 . . . . 25 GLN HE21 . 15152 1 282 . 1 1 25 25 GLN HE22 H 1 6.725 0.03 . 2 . . . . 25 GLN HE22 . 15152 1 283 . 1 1 25 25 GLN C C 13 181.985 0.3 . 1 . . . . 25 GLN C . 15152 1 284 . 1 1 25 25 GLN CA C 13 56.560 0.3 . 1 . . . . 25 GLN CA . 15152 1 285 . 1 1 25 25 GLN CB C 13 29.467 0.3 . 1 . . . . 25 GLN CB . 15152 1 286 . 1 1 25 25 GLN CG C 13 35.311 0.3 . 1 . . . . 25 GLN CG . 15152 1 287 . 1 1 25 25 GLN N N 15 127.030 0.3 . 1 . . . . 25 GLN N . 15152 1 288 . 1 1 25 25 GLN NE2 N 15 111.851 0.3 . 1 . . . . 25 GLN NE2 . 15152 1 289 . 1 1 26 26 ARG H H 1 9.208 0.03 . 1 . . . . 26 ARG HN . 15152 1 290 . 1 1 26 26 ARG HA H 1 4.664 0.03 . 1 . . . . 26 ARG HA . 15152 1 291 . 1 1 26 26 ARG HB2 H 1 1.555 0.03 . 2 . . . . 26 ARG HB1 . 15152 1 292 . 1 1 26 26 ARG HB3 H 1 1.836 0.03 . 2 . . . . 26 ARG HB2 . 15152 1 293 . 1 1 26 26 ARG HG2 H 1 1.700 0.03 . 1 . . . . 26 ARG HG1 . 15152 1 294 . 1 1 26 26 ARG HG3 H 1 1.700 0.03 . 1 . . . . 26 ARG HG2 . 15152 1 295 . 1 1 26 26 ARG HD2 H 1 3.000 0.03 . 2 . . . . 26 ARG HD1 . 15152 1 296 . 1 1 26 26 ARG HD3 H 1 3.160 0.03 . 2 . . . . 26 ARG HD2 . 15152 1 297 . 1 1 26 26 ARG HE H 1 7.149 0.03 . 1 . . . . 26 ARG HE . 15152 1 298 . 1 1 26 26 ARG C C 13 182.697 0.3 . 1 . . . . 26 ARG C . 15152 1 299 . 1 1 26 26 ARG CA C 13 53.506 0.3 . 1 . . . . 26 ARG CA . 15152 1 300 . 1 1 26 26 ARG CB C 13 32.920 0.3 . 1 . . . . 26 ARG CB . 15152 1 301 . 1 1 26 26 ARG CG C 13 26.280 0.3 . 1 . . . . 26 ARG CG . 15152 1 302 . 1 1 26 26 ARG CD C 13 42.740 0.3 . 1 . . . . 26 ARG CD . 15152 1 303 . 1 1 26 26 ARG N N 15 125.500 0.3 . 1 . . . . 26 ARG N . 15152 1 304 . 1 1 26 26 ARG NE N 15 114.060 0.3 . 1 . . . . 26 ARG NE . 15152 1 305 . 1 1 27 27 ASP H H 1 8.505 0.03 . 1 . . . . 27 ASP HN . 15152 1 306 . 1 1 27 27 ASP HA H 1 5.170 0.03 . 1 . . . . 27 ASP HA . 15152 1 307 . 1 1 27 27 ASP HB2 H 1 2.485 0.03 . 2 . . . . 27 ASP HB1 . 15152 1 308 . 1 1 27 27 ASP HB3 H 1 2.540 0.03 . 2 . . . . 27 ASP HB2 . 15152 1 309 . 1 1 27 27 ASP C C 13 181.620 0.3 . 1 . . . . 27 ASP C . 15152 1 310 . 1 1 27 27 ASP CA C 13 54.701 0.3 . 1 . . . . 27 ASP CA . 15152 1 311 . 1 1 27 27 ASP CB C 13 41.420 0.3 . 1 . . . . 27 ASP CB . 15152 1 312 . 1 1 27 27 ASP N N 15 123.350 0.3 . 1 . . . . 27 ASP N . 15152 1 313 . 1 1 28 28 VAL H H 1 9.054 0.03 . 1 . . . . 28 VAL HN . 15152 1 314 . 1 1 28 28 VAL HA H 1 4.220 0.03 . 1 . . . . 28 VAL HA . 15152 1 315 . 1 1 28 28 VAL HB H 1 1.576 0.03 . 1 . . . . 28 VAL HB . 15152 1 316 . 1 1 28 28 VAL HG11 H 1 0.598 0.03 . 2 . . . . 28 VAL HG11 . 15152 1 317 . 1 1 28 28 VAL HG12 H 1 0.598 0.03 . 2 . . . . 28 VAL HG11 . 15152 1 318 . 1 1 28 28 VAL HG13 H 1 0.598 0.03 . 2 . . . . 28 VAL HG11 . 15152 1 319 . 1 1 28 28 VAL HG21 H 1 0.598 0.03 . 2 . . . . 28 VAL HG21 . 15152 1 320 . 1 1 28 28 VAL HG22 H 1 0.598 0.03 . 2 . . . . 28 VAL HG21 . 15152 1 321 . 1 1 28 28 VAL HG23 H 1 0.598 0.03 . 2 . . . . 28 VAL HG21 . 15152 1 322 . 1 1 28 28 VAL C C 13 185.044 0.3 . 1 . . . . 28 VAL C . 15152 1 323 . 1 1 28 28 VAL CA C 13 60.545 0.3 . 1 . . . . 28 VAL CA . 15152 1 324 . 1 1 28 28 VAL CB C 13 36.905 0.3 . 1 . . . . 28 VAL CB . 15152 1 325 . 1 1 28 28 VAL CG1 C 13 23.360 0.3 . 1 . . . . 28 VAL CG1 . 15152 1 326 . 1 1 28 28 VAL CG2 C 13 23.360 0.3 . 1 . . . . 28 VAL CG2 . 15152 1 327 . 1 1 28 28 VAL N N 15 124.760 0.3 . 1 . . . . 28 VAL N . 15152 1 328 . 1 1 29 29 ASP H H 1 8.346 0.03 . 1 . . . . 29 ASP HN . 15152 1 329 . 1 1 29 29 ASP HA H 1 4.780 0.03 . 1 . . . . 29 ASP HA . 15152 1 330 . 1 1 29 29 ASP HB2 H 1 2.299 0.03 . 2 . . . . 29 ASP HB1 . 15152 1 331 . 1 1 29 29 ASP HB3 H 1 2.188 0.03 . 2 . . . . 29 ASP HB2 . 15152 1 332 . 1 1 29 29 ASP C C 13 179.032 0.3 . 1 . . . . 29 ASP C . 15152 1 333 . 1 1 29 29 ASP CA C 13 53.940 0.3 . 1 . . . . 29 ASP CA . 15152 1 334 . 1 1 29 29 ASP CB C 13 42.480 0.3 . 1 . . . . 29 ASP CB . 15152 1 335 . 1 1 29 29 ASP N N 15 127.484 0.3 . 1 . . . . 29 ASP N . 15152 1 336 . 1 1 30 30 LEU H H 1 9.352 0.03 . 1 . . . . 30 LEU HN . 15152 1 337 . 1 1 30 30 LEU HA H 1 4.540 0.03 . 1 . . . . 30 LEU HA . 15152 1 338 . 1 1 30 30 LEU HB2 H 1 1.584 0.03 . 2 . . . . 30 LEU HB1 . 15152 1 339 . 1 1 30 30 LEU HB3 H 1 1.537 0.03 . 2 . . . . 30 LEU HB2 . 15152 1 340 . 1 1 30 30 LEU HG H 1 1.520 0.03 . 1 . . . . 30 LEU HG . 15152 1 341 . 1 1 30 30 LEU HD11 H 1 0.710 0.03 . 2 . . . . 30 LEU HD11 . 15152 1 342 . 1 1 30 30 LEU HD12 H 1 0.710 0.03 . 2 . . . . 30 LEU HD11 . 15152 1 343 . 1 1 30 30 LEU HD13 H 1 0.710 0.03 . 2 . . . . 30 LEU HD11 . 15152 1 344 . 1 1 30 30 LEU HD21 H 1 0.430 0.03 . 2 . . . . 30 LEU HD21 . 15152 1 345 . 1 1 30 30 LEU HD22 H 1 0.430 0.03 . 2 . . . . 30 LEU HD21 . 15152 1 346 . 1 1 30 30 LEU HD23 H 1 0.430 0.03 . 2 . . . . 30 LEU HD21 . 15152 1 347 . 1 1 30 30 LEU C C 13 180.318 0.3 . 1 . . . . 30 LEU C . 15152 1 348 . 1 1 30 30 LEU CA C 13 54.967 0.3 . 1 . . . . 30 LEU CA . 15152 1 349 . 1 1 30 30 LEU CB C 13 40.890 0.3 . 1 . . . . 30 LEU CB . 15152 1 350 . 1 1 30 30 LEU CG C 13 25.750 0.3 . 1 . . . . 30 LEU CG . 15152 1 351 . 1 1 30 30 LEU CD1 C 13 27.608 0.3 . 1 . . . . 30 LEU CD1 . 15152 1 352 . 1 1 30 30 LEU CD2 C 13 21.764 0.3 . 1 . . . . 30 LEU CD2 . 15152 1 353 . 1 1 30 30 LEU N N 15 128.277 0.3 . 1 . . . . 30 LEU N . 15152 1 354 . 1 1 31 31 THR H H 1 9.536 0.03 . 1 . . . . 31 THR HN . 15152 1 355 . 1 1 31 31 THR HA H 1 3.714 0.03 . 1 . . . . 31 THR HA . 15152 1 356 . 1 1 31 31 THR HB H 1 4.082 0.03 . 1 . . . . 31 THR HB . 15152 1 357 . 1 1 31 31 THR HG21 H 1 1.300 0.03 . 1 . . . . 31 THR HG21 . 15152 1 358 . 1 1 31 31 THR HG22 H 1 1.300 0.03 . 1 . . . . 31 THR HG21 . 15152 1 359 . 1 1 31 31 THR HG23 H 1 1.300 0.03 . 1 . . . . 31 THR HG21 . 15152 1 360 . 1 1 31 31 THR C C 13 181.547 0.3 . 1 . . . . 31 THR C . 15152 1 361 . 1 1 31 31 THR CA C 13 68.780 0.3 . 1 . . . . 31 THR CA . 15152 1 362 . 1 1 31 31 THR CB C 13 69.576 0.3 . 1 . . . . 31 THR CB . 15152 1 363 . 1 1 31 31 THR CG2 C 13 21.500 0.3 . 1 . . . . 31 THR CG2 . 15152 1 364 . 1 1 31 31 THR N N 15 118.930 0.3 . 1 . . . . 31 THR N . 15152 1 365 . 1 1 32 32 LEU H H 1 9.593 0.03 . 1 . . . . 32 LEU HN . 15152 1 366 . 1 1 32 32 LEU HA H 1 4.202 0.03 . 1 . . . . 32 LEU HA . 15152 1 367 . 1 1 32 32 LEU HB2 H 1 1.611 0.03 . 2 . . . . 32 LEU HB1 . 15152 1 368 . 1 1 32 32 LEU HB3 H 1 2.065 0.03 . 2 . . . . 32 LEU HB2 . 15152 1 369 . 1 1 32 32 LEU HG H 1 1.775 0.03 . 1 . . . . 32 LEU HG . 15152 1 370 . 1 1 32 32 LEU HD11 H 1 0.926 0.03 . 2 . . . . 32 LEU HD11 . 15152 1 371 . 1 1 32 32 LEU HD12 H 1 0.926 0.03 . 2 . . . . 32 LEU HD11 . 15152 1 372 . 1 1 32 32 LEU HD13 H 1 0.926 0.03 . 2 . . . . 32 LEU HD11 . 15152 1 373 . 1 1 32 32 LEU HD21 H 1 0.860 0.03 . 2 . . . . 32 LEU HD21 . 15152 1 374 . 1 1 32 32 LEU HD22 H 1 0.860 0.03 . 2 . . . . 32 LEU HD21 . 15152 1 375 . 1 1 32 32 LEU HD23 H 1 0.860 0.03 . 2 . . . . 32 LEU HD21 . 15152 1 376 . 1 1 32 32 LEU C C 13 178.591 0.3 . 1 . . . . 32 LEU C . 15152 1 377 . 1 1 32 32 LEU CA C 13 57.623 0.3 . 1 . . . . 32 LEU CA . 15152 1 378 . 1 1 32 32 LEU CB C 13 41.155 0.3 . 1 . . . . 32 LEU CB . 15152 1 379 . 1 1 32 32 LEU CG C 13 27.340 0.3 . 1 . . . . 32 LEU CG . 15152 1 380 . 1 1 32 32 LEU CD1 C 13 25.220 0.3 . 1 . . . . 32 LEU CD1 . 15152 1 381 . 1 1 32 32 LEU CD2 C 13 22.823 0.3 . 1 . . . . 32 LEU CD2 . 15152 1 382 . 1 1 32 32 LEU N N 15 118.870 0.3 . 1 . . . . 32 LEU N . 15152 1 383 . 1 1 33 33 VAL H H 1 7.125 0.03 . 1 . . . . 33 VAL HN . 15152 1 384 . 1 1 33 33 VAL HA H 1 4.535 0.03 . 1 . . . . 33 VAL HA . 15152 1 385 . 1 1 33 33 VAL HB H 1 2.217 0.03 . 1 . . . . 33 VAL HB . 15152 1 386 . 1 1 33 33 VAL HG11 H 1 0.800 0.03 . 2 . . . . 33 VAL HG11 . 15152 1 387 . 1 1 33 33 VAL HG12 H 1 0.800 0.03 . 2 . . . . 33 VAL HG11 . 15152 1 388 . 1 1 33 33 VAL HG13 H 1 0.800 0.03 . 2 . . . . 33 VAL HG11 . 15152 1 389 . 1 1 33 33 VAL HG21 H 1 0.684 0.03 . 2 . . . . 33 VAL HG21 . 15152 1 390 . 1 1 33 33 VAL HG22 H 1 0.684 0.03 . 2 . . . . 33 VAL HG21 . 15152 1 391 . 1 1 33 33 VAL HG23 H 1 0.684 0.03 . 2 . . . . 33 VAL HG21 . 15152 1 392 . 1 1 33 33 VAL C C 13 180.931 0.3 . 1 . . . . 33 VAL C . 15152 1 393 . 1 1 33 33 VAL CA C 13 60.678 0.3 . 1 . . . . 33 VAL CA . 15152 1 394 . 1 1 33 33 VAL CB C 13 33.186 0.3 . 1 . . . . 33 VAL CB . 15152 1 395 . 1 1 33 33 VAL CG1 C 13 18.310 0.3 . 1 . . . . 33 VAL CG1 . 15152 1 396 . 1 1 33 33 VAL CG2 C 13 21.500 0.3 . 1 . . . . 33 VAL CG2 . 15152 1 397 . 1 1 33 33 VAL N N 15 107.660 0.3 . 1 . . . . 33 VAL N . 15152 1 398 . 1 1 34 34 GLY H H 1 8.336 0.03 . 1 . . . . 34 GLY HN . 15152 1 399 . 1 1 34 34 GLY HA2 H 1 3.778 0.03 . 2 . . . . 34 GLY HA1 . 15152 1 400 . 1 1 34 34 GLY HA3 H 1 4.587 0.03 . 2 . . . . 34 GLY HA2 . 15152 1 401 . 1 1 34 34 GLY C C 13 183.907 0.3 . 1 . . . . 34 GLY C . 15152 1 402 . 1 1 34 34 GLY CA C 13 44.340 0.3 . 1 . . . . 34 GLY CA . 15152 1 403 . 1 1 34 34 GLY N N 15 113.320 0.3 . 1 . . . . 34 GLY N . 15152 1 404 . 1 1 35 35 SER H H 1 8.723 0.03 . 1 . . . . 35 SER HN . 15152 1 405 . 1 1 35 35 SER HA H 1 4.180 0.03 . 1 . . . . 35 SER HA . 15152 1 406 . 1 1 35 35 SER HB2 H 1 4.005 0.03 . 2 . . . . 35 SER HB1 . 15152 1 407 . 1 1 35 35 SER HB3 H 1 3.920 0.03 . 2 . . . . 35 SER HB2 . 15152 1 408 . 1 1 35 35 SER C C 13 183.459 0.3 . 1 . . . . 35 SER C . 15152 1 409 . 1 1 35 35 SER CA C 13 60.010 0.3 . 1 . . . . 35 SER CA . 15152 1 410 . 1 1 35 35 SER CB C 13 63.733 0.3 . 1 . . . . 35 SER CB . 15152 1 411 . 1 1 35 35 SER N N 15 118.760 0.3 . 1 . . . . 35 SER N . 15152 1 412 . 1 1 36 36 CYS H H 1 7.838 0.03 . 1 . . . . 36 CYS HN . 15152 1 413 . 1 1 36 36 CYS HA H 1 5.050 0.03 . 1 . . . . 36 CYS HA . 15152 1 414 . 1 1 36 36 CYS HB2 H 1 2.282 0.03 . 2 . . . . 36 CYS HB1 . 15152 1 415 . 1 1 36 36 CYS HB3 H 1 2.738 0.03 . 2 . . . . 36 CYS HB2 . 15152 1 416 . 1 1 36 36 CYS C C 13 184.372 0.3 . 1 . . . . 36 CYS C . 15152 1 417 . 1 1 36 36 CYS CA C 13 56.030 0.3 . 1 . . . . 36 CYS CA . 15152 1 418 . 1 1 36 36 CYS CB C 13 31.327 0.3 . 1 . . . . 36 CYS CB . 15152 1 419 . 1 1 36 36 CYS N N 15 116.610 0.3 . 1 . . . . 36 CYS N . 15152 1 420 . 1 1 37 37 ASP H H 1 8.555 0.03 . 1 . . . . 37 ASP HN . 15152 1 421 . 1 1 37 37 ASP HA H 1 4.510 0.03 . 1 . . . . 37 ASP HA . 15152 1 422 . 1 1 37 37 ASP HB2 H 1 2.621 0.03 . 2 . . . . 37 ASP HB1 . 15152 1 423 . 1 1 37 37 ASP HB3 H 1 3.308 0.03 . 2 . . . . 37 ASP HB2 . 15152 1 424 . 1 1 37 37 ASP C C 13 179.979 0.3 . 1 . . . . 37 ASP C . 15152 1 425 . 1 1 37 37 ASP CA C 13 52.310 0.3 . 1 . . . . 37 ASP CA . 15152 1 426 . 1 1 37 37 ASP CB C 13 41.951 0.3 . 1 . . . . 37 ASP CB . 15152 1 427 . 1 1 37 37 ASP N N 15 120.177 0.3 . 1 . . . . 37 ASP N . 15152 1 428 . 1 1 38 38 GLU H H 1 9.766 0.03 . 1 . . . . 38 GLU HN . 15152 1 429 . 1 1 38 38 GLU HA H 1 4.177 0.03 . 1 . . . . 38 GLU HA . 15152 1 430 . 1 1 38 38 GLU HB2 H 1 2.070 0.03 . 2 . . . . 38 GLU HB1 . 15152 1 431 . 1 1 38 38 GLU HB3 H 1 2.127 0.03 . 2 . . . . 38 GLU HB2 . 15152 1 432 . 1 1 38 38 GLU HG2 H 1 2.380 0.03 . 1 . . . . 38 GLU HG1 . 15152 1 433 . 1 1 38 38 GLU HG3 H 1 2.380 0.03 . 1 . . . . 38 GLU HG2 . 15152 1 434 . 1 1 38 38 GLU C C 13 180.776 0.3 . 1 . . . . 38 GLU C . 15152 1 435 . 1 1 38 38 GLU CA C 13 58.951 0.3 . 1 . . . . 38 GLU CA . 15152 1 436 . 1 1 38 38 GLU CB C 13 28.405 0.3 . 1 . . . . 38 GLU CB . 15152 1 437 . 1 1 38 38 GLU CG C 13 35.840 0.3 . 1 . . . . 38 GLU CG . 15152 1 438 . 1 1 38 38 GLU N N 15 119.214 0.3 . 1 . . . . 38 GLU N . 15152 1 439 . 1 1 39 39 ASN H H 1 8.360 0.03 . 1 . . . . 39 ASN HN . 15152 1 440 . 1 1 39 39 ASN HA H 1 4.943 0.03 . 1 . . . . 39 ASN HA . 15152 1 441 . 1 1 39 39 ASN HB2 H 1 2.840 0.03 . 2 . . . . 39 ASN HB1 . 15152 1 442 . 1 1 39 39 ASN HB3 H 1 3.029 0.03 . 2 . . . . 39 ASN HB2 . 15152 1 443 . 1 1 39 39 ASN HD21 H 1 6.992 0.03 . 2 . . . . 39 ASN HD21 . 15152 1 444 . 1 1 39 39 ASN HD22 H 1 7.849 0.03 . 2 . . . . 39 ASN HD22 . 15152 1 445 . 1 1 39 39 ASN C C 13 181.879 0.3 . 1 . . . . 39 ASN C . 15152 1 446 . 1 1 39 39 ASN CA C 13 52.842 0.3 . 1 . . . . 39 ASN CA . 15152 1 447 . 1 1 39 39 ASN CB C 13 39.560 0.3 . 1 . . . . 39 ASN CB . 15152 1 448 . 1 1 39 39 ASN N N 15 118.530 0.3 . 1 . . . . 39 ASN N . 15152 1 449 . 1 1 39 39 ASN ND2 N 15 115.532 0.3 . 1 . . . . 39 ASN ND2 . 15152 1 450 . 1 1 40 40 GLY H H 1 8.290 0.03 . 1 . . . . 40 GLY HN . 15152 1 451 . 1 1 40 40 GLY HA2 H 1 3.695 0.03 . 2 . . . . 40 GLY HA1 . 15152 1 452 . 1 1 40 40 GLY HA3 H 1 4.204 0.03 . 2 . . . . 40 GLY HA2 . 15152 1 453 . 1 1 40 40 GLY C C 13 183.670 0.3 . 1 . . . . 40 GLY C . 15152 1 454 . 1 1 40 40 GLY CA C 13 45.670 0.3 . 1 . . . . 40 GLY CA . 15152 1 455 . 1 1 40 40 GLY N N 15 109.530 0.3 . 1 . . . . 40 GLY N . 15152 1 456 . 1 1 41 41 GLN H H 1 8.258 0.03 . 1 . . . . 41 GLN HN . 15152 1 457 . 1 1 41 41 GLN HA H 1 4.720 0.03 . 1 . . . . 41 GLN HA . 15152 1 458 . 1 1 41 41 GLN HB2 H 1 2.100 0.03 . 1 . . . . 41 GLN HB1 . 15152 1 459 . 1 1 41 41 GLN HB3 H 1 2.100 0.03 . 1 . . . . 41 GLN HB2 . 15152 1 460 . 1 1 41 41 GLN HG2 H 1 2.260 0.03 . 2 . . . . 41 GLN HG1 . 15152 1 461 . 1 1 41 41 GLN HG3 H 1 2.410 0.03 . 2 . . . . 41 GLN HG2 . 15152 1 462 . 1 1 41 41 GLN HE21 H 1 7.559 0.03 . 2 . . . . 41 GLN HE21 . 15152 1 463 . 1 1 41 41 GLN HE22 H 1 6.925 0.03 . 2 . . . . 41 GLN HE22 . 15152 1 464 . 1 1 41 41 GLN CA C 13 52.810 0.3 . 1 . . . . 41 GLN CA . 15152 1 465 . 1 1 41 41 GLN CB C 13 28.670 0.3 . 1 . . . . 41 GLN CB . 15152 1 466 . 1 1 41 41 GLN CG C 13 33.450 0.3 . 1 . . . . 41 GLN CG . 15152 1 467 . 1 1 41 41 GLN N N 15 121.930 0.3 . 1 . . . . 41 GLN N . 15152 1 468 . 1 1 41 41 GLN NE2 N 15 113.776 0.3 . 1 . . . . 41 GLN NE2 . 15152 1 469 . 1 1 42 42 PRO HA H 1 4.880 0.03 . 1 . . . . 42 PRO HA . 15152 1 470 . 1 1 42 42 PRO HB2 H 1 1.860 0.03 . 2 . . . . 42 PRO HB1 . 15152 1 471 . 1 1 42 42 PRO HB3 H 1 2.400 0.03 . 2 . . . . 42 PRO HB2 . 15152 1 472 . 1 1 42 42 PRO HG2 H 1 2.066 0.03 . 2 . . . . 42 PRO HG1 . 15152 1 473 . 1 1 42 42 PRO HG3 H 1 2.170 0.03 . 2 . . . . 42 PRO HG2 . 15152 1 474 . 1 1 42 42 PRO HD2 H 1 3.685 0.03 . 2 . . . . 42 PRO HD1 . 15152 1 475 . 1 1 42 42 PRO HD3 H 1 4.082 0.03 . 2 . . . . 42 PRO HD2 . 15152 1 476 . 1 1 42 42 PRO C C 13 178.521 0.3 . 1 . . . . 42 PRO C . 15152 1 477 . 1 1 42 42 PRO CA C 13 63.200 0.3 . 1 . . . . 42 PRO CA . 15152 1 478 . 1 1 42 42 PRO CB C 13 33.186 0.3 . 1 . . . . 42 PRO CB . 15152 1 479 . 1 1 42 42 PRO CG C 13 28.140 0.3 . 1 . . . . 42 PRO CG . 15152 1 480 . 1 1 42 42 PRO CD C 13 50.980 0.3 . 1 . . . . 42 PRO CD . 15152 1 481 . 1 1 43 43 ARG H H 1 7.916 0.03 . 1 . . . . 43 ARG HN . 15152 1 482 . 1 1 43 43 ARG HA H 1 4.170 0.03 . 1 . . . . 43 ARG HA . 15152 1 483 . 1 1 43 43 ARG HB2 H 1 1.115 0.03 . 2 . . . . 43 ARG HB1 . 15152 1 484 . 1 1 43 43 ARG HB3 H 1 2.006 0.03 . 2 . . . . 43 ARG HB2 . 15152 1 485 . 1 1 43 43 ARG HG2 H 1 1.145 0.03 . 2 . . . . 43 ARG HG1 . 15152 1 486 . 1 1 43 43 ARG HG3 H 1 1.342 0.03 . 2 . . . . 43 ARG HG2 . 15152 1 487 . 1 1 43 43 ARG HD2 H 1 2.816 0.03 . 2 . . . . 43 ARG HD1 . 15152 1 488 . 1 1 43 43 ARG HD3 H 1 3.028 0.03 . 2 . . . . 43 ARG HD2 . 15152 1 489 . 1 1 43 43 ARG HE H 1 6.642 0.03 . 1 . . . . 43 ARG HE . 15152 1 490 . 1 1 43 43 ARG C C 13 182.298 0.3 . 1 . . . . 43 ARG C . 15152 1 491 . 1 1 43 43 ARG CA C 13 57.890 0.3 . 1 . . . . 43 ARG CA . 15152 1 492 . 1 1 43 43 ARG CB C 13 29.467 0.3 . 1 . . . . 43 ARG CB . 15152 1 493 . 1 1 43 43 ARG CG C 13 28.405 0.3 . 1 . . . . 43 ARG CG . 15152 1 494 . 1 1 43 43 ARG CD C 13 43.540 0.3 . 1 . . . . 43 ARG CD . 15152 1 495 . 1 1 43 43 ARG N N 15 123.236 0.3 . 1 . . . . 43 ARG N . 15152 1 496 . 1 1 43 43 ARG NE N 15 114.966 0.3 . 1 . . . . 43 ARG NE . 15152 1 497 . 1 1 44 44 VAL H H 1 6.742 0.03 . 1 . . . . 44 VAL HN . 15152 1 498 . 1 1 44 44 VAL HA H 1 3.050 0.03 . 1 . . . . 44 VAL HA . 15152 1 499 . 1 1 44 44 VAL HB H 1 1.855 0.03 . 1 . . . . 44 VAL HB . 15152 1 500 . 1 1 44 44 VAL HG11 H 1 0.890 0.03 . 2 . . . . 44 VAL HG11 . 15152 1 501 . 1 1 44 44 VAL HG12 H 1 0.890 0.03 . 2 . . . . 44 VAL HG11 . 15152 1 502 . 1 1 44 44 VAL HG13 H 1 0.890 0.03 . 2 . . . . 44 VAL HG11 . 15152 1 503 . 1 1 44 44 VAL HG21 H 1 0.900 0.03 . 2 . . . . 44 VAL HG21 . 15152 1 504 . 1 1 44 44 VAL HG22 H 1 0.900 0.03 . 2 . . . . 44 VAL HG21 . 15152 1 505 . 1 1 44 44 VAL HG23 H 1 0.900 0.03 . 2 . . . . 44 VAL HG21 . 15152 1 506 . 1 1 44 44 VAL C C 13 180.685 0.3 . 1 . . . . 44 VAL C . 15152 1 507 . 1 1 44 44 VAL CA C 13 65.858 0.3 . 1 . . . . 44 VAL CA . 15152 1 508 . 1 1 44 44 VAL CB C 13 31.858 0.3 . 1 . . . . 44 VAL CB . 15152 1 509 . 1 1 44 44 VAL CG1 C 13 21.670 0.3 . 1 . . . . 44 VAL CG1 . 15152 1 510 . 1 1 44 44 VAL CG2 C 13 22.030 0.3 . 1 . . . . 44 VAL CG2 . 15152 1 511 . 1 1 44 44 VAL N N 15 120.290 0.3 . 1 . . . . 44 VAL N . 15152 1 512 . 1 1 45 45 GLY H H 1 8.486 0.03 . 1 . . . . 45 GLY HN . 15152 1 513 . 1 1 45 45 GLY HA2 H 1 3.544 0.03 . 2 . . . . 45 GLY HA1 . 15152 1 514 . 1 1 45 45 GLY HA3 H 1 4.380 0.03 . 2 . . . . 45 GLY HA2 . 15152 1 515 . 1 1 45 45 GLY C C 13 183.124 0.3 . 1 . . . . 45 GLY C . 15152 1 516 . 1 1 45 45 GLY CA C 13 45.140 0.3 . 1 . . . . 45 GLY CA . 15152 1 517 . 1 1 45 45 GLY N N 15 116.380 0.3 . 1 . . . . 45 GLY N . 15152 1 518 . 1 1 46 46 GLN H H 1 7.781 0.03 . 1 . . . . 46 GLN HN . 15152 1 519 . 1 1 46 46 GLN HA H 1 4.487 0.03 . 1 . . . . 46 GLN HA . 15152 1 520 . 1 1 46 46 GLN HB2 H 1 2.128 0.03 . 2 . . . . 46 GLN HB1 . 15152 1 521 . 1 1 46 46 GLN HB3 H 1 2.284 0.03 . 2 . . . . 46 GLN HB2 . 15152 1 522 . 1 1 46 46 GLN HG2 H 1 2.296 0.03 . 1 . . . . 46 GLN HG1 . 15152 1 523 . 1 1 46 46 GLN HG3 H 1 2.296 0.03 . 1 . . . . 46 GLN HG2 . 15152 1 524 . 1 1 46 46 GLN HE21 H 1 7.300 0.03 . 2 . . . . 46 GLN HE21 . 15152 1 525 . 1 1 46 46 GLN HE22 H 1 6.515 0.03 . 2 . . . . 46 GLN HE22 . 15152 1 526 . 1 1 46 46 GLN C C 13 183.150 0.3 . 1 . . . . 46 GLN C . 15152 1 527 . 1 1 46 46 GLN CA C 13 56.560 0.3 . 1 . . . . 46 GLN CA . 15152 1 528 . 1 1 46 46 GLN CB C 13 29.200 0.3 . 1 . . . . 46 GLN CB . 15152 1 529 . 1 1 46 46 GLN CG C 13 35.311 0.3 . 1 . . . . 46 GLN CG . 15152 1 530 . 1 1 46 46 GLN N N 15 120.170 0.3 . 1 . . . . 46 GLN N . 15152 1 531 . 1 1 46 46 GLN NE2 N 15 109.585 0.3 . 1 . . . . 46 GLN NE2 . 15152 1 532 . 1 1 47 47 TRP H H 1 8.939 0.03 . 1 . . . . 47 TRP HN . 15152 1 533 . 1 1 47 47 TRP HA H 1 5.240 0.03 . 1 . . . . 47 TRP HA . 15152 1 534 . 1 1 47 47 TRP HB2 H 1 2.756 0.03 . 2 . . . . 47 TRP HB1 . 15152 1 535 . 1 1 47 47 TRP HB3 H 1 3.200 0.03 . 2 . . . . 47 TRP HB2 . 15152 1 536 . 1 1 47 47 TRP HD1 H 1 7.353 0.03 . 1 . . . . 47 TRP HD1 . 15152 1 537 . 1 1 47 47 TRP HE1 H 1 10.355 0.03 . 1 . . . . 47 TRP HE1 . 15152 1 538 . 1 1 47 47 TRP HE3 H 1 7.160 0.03 . 1 . . . . 47 TRP HE3 . 15152 1 539 . 1 1 47 47 TRP HZ2 H 1 7.318 0.03 . 1 . . . . 47 TRP HZ2 . 15152 1 540 . 1 1 47 47 TRP HZ3 H 1 6.860 0.03 . 1 . . . . 47 TRP HZ3 . 15152 1 541 . 1 1 47 47 TRP HH2 H 1 7.063 0.03 . 1 . . . . 47 TRP HH2 . 15152 1 542 . 1 1 47 47 TRP C C 13 181.809 0.3 . 1 . . . . 47 TRP C . 15152 1 543 . 1 1 47 47 TRP CA C 13 56.300 0.3 . 1 . . . . 47 TRP CA . 15152 1 544 . 1 1 47 47 TRP CB C 13 30.264 0.3 . 1 . . . . 47 TRP CB . 15152 1 545 . 1 1 47 47 TRP CD1 C 13 126.228 0.3 . 1 . . . . 47 TRP CD1 . 15152 1 546 . 1 1 47 47 TRP CE3 C 13 120.062 0.3 . 1 . . . . 47 TRP CE3 . 15152 1 547 . 1 1 47 47 TRP CZ2 C 13 114.555 0.3 . 1 . . . . 47 TRP CZ2 . 15152 1 548 . 1 1 47 47 TRP CZ3 C 13 118.891 0.3 . 1 . . . . 47 TRP CZ3 . 15152 1 549 . 1 1 47 47 TRP CH2 C 13 124.398 0.3 . 1 . . . . 47 TRP CH2 . 15152 1 550 . 1 1 47 47 TRP N N 15 122.273 0.3 . 1 . . . . 47 TRP N . 15152 1 551 . 1 1 47 47 TRP NE1 N 15 130.429 0.3 . 1 . . . . 47 TRP NE1 . 15152 1 552 . 1 1 48 48 VAL H H 1 9.265 0.03 . 1 . . . . 48 VAL HN . 15152 1 553 . 1 1 48 48 VAL HA H 1 5.554 0.03 . 1 . . . . 48 VAL HA . 15152 1 554 . 1 1 48 48 VAL HB H 1 2.040 0.03 . 1 . . . . 48 VAL HB . 15152 1 555 . 1 1 48 48 VAL HG11 H 1 0.610 0.03 . 2 . . . . 48 VAL HG11 . 15152 1 556 . 1 1 48 48 VAL HG12 H 1 0.610 0.03 . 2 . . . . 48 VAL HG11 . 15152 1 557 . 1 1 48 48 VAL HG13 H 1 0.610 0.03 . 2 . . . . 48 VAL HG11 . 15152 1 558 . 1 1 48 48 VAL HG21 H 1 0.876 0.03 . 2 . . . . 48 VAL HG21 . 15152 1 559 . 1 1 48 48 VAL HG22 H 1 0.876 0.03 . 2 . . . . 48 VAL HG21 . 15152 1 560 . 1 1 48 48 VAL HG23 H 1 0.876 0.03 . 2 . . . . 48 VAL HG21 . 15152 1 561 . 1 1 48 48 VAL C C 13 182.127 0.3 . 1 . . . . 48 VAL C . 15152 1 562 . 1 1 48 48 VAL CA C 13 56.826 0.3 . 1 . . . . 48 VAL CA . 15152 1 563 . 1 1 48 48 VAL CB C 13 36.370 0.3 . 1 . . . . 48 VAL CB . 15152 1 564 . 1 1 48 48 VAL CG1 C 13 18.046 0.3 . 1 . . . . 48 VAL CG1 . 15152 1 565 . 1 1 48 48 VAL CG2 C 13 23.360 0.3 . 1 . . . . 48 VAL CG2 . 15152 1 566 . 1 1 48 48 VAL N N 15 111.340 0.3 . 1 . . . . 48 VAL N . 15152 1 567 . 1 1 49 49 LEU H H 1 7.800 0.03 . 1 . . . . 49 LEU HN . 15152 1 568 . 1 1 49 49 LEU HA H 1 4.476 0.03 . 1 . . . . 49 LEU HA . 15152 1 569 . 1 1 49 49 LEU HB2 H 1 1.190 0.03 . 2 . . . . 49 LEU HB1 . 15152 1 570 . 1 1 49 49 LEU HB3 H 1 1.570 0.03 . 2 . . . . 49 LEU HB2 . 15152 1 571 . 1 1 49 49 LEU HG H 1 1.425 0.03 . 1 . . . . 49 LEU HG . 15152 1 572 . 1 1 49 49 LEU HD11 H 1 0.696 0.03 . 2 . . . . 49 LEU HD11 . 15152 1 573 . 1 1 49 49 LEU HD12 H 1 0.696 0.03 . 2 . . . . 49 LEU HD11 . 15152 1 574 . 1 1 49 49 LEU HD13 H 1 0.696 0.03 . 2 . . . . 49 LEU HD11 . 15152 1 575 . 1 1 49 49 LEU HD21 H 1 0.639 0.03 . 2 . . . . 49 LEU HD21 . 15152 1 576 . 1 1 49 49 LEU HD22 H 1 0.639 0.03 . 2 . . . . 49 LEU HD21 . 15152 1 577 . 1 1 49 49 LEU HD23 H 1 0.639 0.03 . 2 . . . . 49 LEU HD21 . 15152 1 578 . 1 1 49 49 LEU C C 13 181.445 0.3 . 1 . . . . 49 LEU C . 15152 1 579 . 1 1 49 49 LEU CA C 13 53.639 0.3 . 1 . . . . 49 LEU CA . 15152 1 580 . 1 1 49 49 LEU CB C 13 43.280 0.3 . 1 . . . . 49 LEU CB . 15152 1 581 . 1 1 49 49 LEU CG C 13 26.810 0.3 . 1 . . . . 49 LEU CG . 15152 1 582 . 1 1 49 49 LEU CD1 C 13 24.950 0.3 . 1 . . . . 49 LEU CD1 . 15152 1 583 . 1 1 49 49 LEU CD2 C 13 23.358 0.3 . 1 . . . . 49 LEU CD2 . 15152 1 584 . 1 1 49 49 LEU N N 15 119.950 0.3 . 1 . . . . 49 LEU N . 15152 1 585 . 1 1 50 50 VAL H H 1 9.116 0.03 . 1 . . . . 50 VAL HN . 15152 1 586 . 1 1 50 50 VAL HA H 1 4.610 0.03 . 1 . . . . 50 VAL HA . 15152 1 587 . 1 1 50 50 VAL HB H 1 2.168 0.03 . 1 . . . . 50 VAL HB . 15152 1 588 . 1 1 50 50 VAL HG11 H 1 0.760 0.03 . 2 . . . . 50 VAL HG11 . 15152 1 589 . 1 1 50 50 VAL HG12 H 1 0.760 0.03 . 2 . . . . 50 VAL HG11 . 15152 1 590 . 1 1 50 50 VAL HG13 H 1 0.760 0.03 . 2 . . . . 50 VAL HG11 . 15152 1 591 . 1 1 50 50 VAL HG21 H 1 0.830 0.03 . 2 . . . . 50 VAL HG21 . 15152 1 592 . 1 1 50 50 VAL HG22 H 1 0.830 0.03 . 2 . . . . 50 VAL HG21 . 15152 1 593 . 1 1 50 50 VAL HG23 H 1 0.830 0.03 . 2 . . . . 50 VAL HG21 . 15152 1 594 . 1 1 50 50 VAL C C 13 181.989 0.3 . 1 . . . . 50 VAL C . 15152 1 595 . 1 1 50 50 VAL CA C 13 62.404 0.3 . 1 . . . . 50 VAL CA . 15152 1 596 . 1 1 50 50 VAL CB C 13 32.920 0.3 . 1 . . . . 50 VAL CB . 15152 1 597 . 1 1 50 50 VAL CG1 C 13 22.560 0.3 . 1 . . . . 50 VAL CG1 . 15152 1 598 . 1 1 50 50 VAL CG2 C 13 22.830 0.3 . 1 . . . . 50 VAL CG2 . 15152 1 599 . 1 1 50 50 VAL N N 15 125.670 0.3 . 1 . . . . 50 VAL N . 15152 1 600 . 1 1 51 51 HIS H H 1 9.252 0.03 . 1 . . . . 51 HIS HN . 15152 1 601 . 1 1 51 51 HIS HA H 1 5.043 0.03 . 1 . . . . 51 HIS HA . 15152 1 602 . 1 1 51 51 HIS HB2 H 1 2.955 0.03 . 2 . . . . 51 HIS HB1 . 15152 1 603 . 1 1 51 51 HIS HB3 H 1 3.280 0.03 . 2 . . . . 51 HIS HB2 . 15152 1 604 . 1 1 51 51 HIS HD2 H 1 7.064 0.03 . 1 . . . . 51 HIS HD2 . 15152 1 605 . 1 1 51 51 HIS C C 13 183.827 0.3 . 1 . . . . 51 HIS C . 15152 1 606 . 1 1 51 51 HIS CA C 13 56.295 0.3 . 1 . . . . 51 HIS CA . 15152 1 607 . 1 1 51 51 HIS CB C 13 33.452 0.3 . 1 . . . . 51 HIS CB . 15152 1 608 . 1 1 51 51 HIS CD2 C 13 120.414 0.3 . 1 . . . . 51 HIS CD2 . 15152 1 609 . 1 1 51 51 HIS N N 15 128.956 0.3 . 1 . . . . 51 HIS N . 15152 1 610 . 1 1 52 52 VAL H H 1 8.980 0.03 . 1 . . . . 52 VAL HN . 15152 1 611 . 1 1 52 52 VAL HA H 1 3.470 0.03 . 1 . . . . 52 VAL HA . 15152 1 612 . 1 1 52 52 VAL HB H 1 2.244 0.03 . 1 . . . . 52 VAL HB . 15152 1 613 . 1 1 52 52 VAL HG11 H 1 0.495 0.03 . 2 . . . . 52 VAL HG11 . 15152 1 614 . 1 1 52 52 VAL HG12 H 1 0.495 0.03 . 2 . . . . 52 VAL HG11 . 15152 1 615 . 1 1 52 52 VAL HG13 H 1 0.495 0.03 . 2 . . . . 52 VAL HG11 . 15152 1 616 . 1 1 52 52 VAL HG21 H 1 0.710 0.03 . 2 . . . . 52 VAL HG21 . 15152 1 617 . 1 1 52 52 VAL HG22 H 1 0.710 0.03 . 2 . . . . 52 VAL HG21 . 15152 1 618 . 1 1 52 52 VAL HG23 H 1 0.710 0.03 . 2 . . . . 52 VAL HG21 . 15152 1 619 . 1 1 52 52 VAL C C 13 182.417 0.3 . 1 . . . . 52 VAL C . 15152 1 620 . 1 1 52 52 VAL CA C 13 62.936 0.3 . 1 . . . . 52 VAL CA . 15152 1 621 . 1 1 52 52 VAL CB C 13 30.796 0.3 . 1 . . . . 52 VAL CB . 15152 1 622 . 1 1 52 52 VAL CG1 C 13 20.160 0.3 . 1 . . . . 52 VAL CG1 . 15152 1 623 . 1 1 52 52 VAL CG2 C 13 22.561 0.3 . 1 . . . . 52 VAL CG2 . 15152 1 624 . 1 1 52 52 VAL N N 15 125.275 0.3 . 1 . . . . 52 VAL N . 15152 1 625 . 1 1 53 53 GLY H H 1 8.346 0.03 . 1 . . . . 53 GLY HN . 15152 1 626 . 1 1 53 53 GLY HA2 H 1 3.690 0.03 . 2 . . . . 53 GLY HA1 . 15152 1 627 . 1 1 53 53 GLY HA3 H 1 4.110 0.03 . 2 . . . . 53 GLY HA2 . 15152 1 628 . 1 1 53 53 GLY C C 13 183.634 0.3 . 1 . . . . 53 GLY C . 15152 1 629 . 1 1 53 53 GLY CA C 13 45.670 0.3 . 1 . . . . 53 GLY CA . 15152 1 630 . 1 1 53 53 GLY N N 15 104.600 0.3 . 1 . . . . 53 GLY N . 15152 1 631 . 1 1 54 54 PHE H H 1 8.589 0.03 . 1 . . . . 54 PHE HN . 15152 1 632 . 1 1 54 54 PHE HA H 1 5.100 0.03 . 1 . . . . 54 PHE HA . 15152 1 633 . 1 1 54 54 PHE HB2 H 1 3.000 0.03 . 2 . . . . 54 PHE HB1 . 15152 1 634 . 1 1 54 54 PHE HB3 H 1 3.170 0.03 . 2 . . . . 54 PHE HB2 . 15152 1 635 . 1 1 54 54 PHE HD1 H 1 7.407 0.03 . 3 . . . . 54 PHE HD1 . 15152 1 636 . 1 1 54 54 PHE HE1 H 1 7.342 0.03 . 3 . . . . 54 PHE HE1 . 15152 1 637 . 1 1 54 54 PHE C C 13 182.978 0.3 . 1 . . . . 54 PHE C . 15152 1 638 . 1 1 54 54 PHE CA C 13 57.620 0.3 . 1 . . . . 54 PHE CA . 15152 1 639 . 1 1 54 54 PHE CB C 13 42.748 0.3 . 1 . . . . 54 PHE CB . 15152 1 640 . 1 1 54 54 PHE CD1 C 13 131.899 0.3 . 1 . . . . 54 PHE CD1 . 15152 1 641 . 1 1 54 54 PHE CE1 C 13 131.899 0.3 . 1 . . . . 54 PHE CE1 . 15152 1 642 . 1 1 54 54 PHE N N 15 121.140 0.3 . 1 . . . . 54 PHE N . 15152 1 643 . 1 1 55 55 ALA H H 1 7.619 0.03 . 1 . . . . 55 ALA HN . 15152 1 644 . 1 1 55 55 ALA HA H 1 4.821 0.03 . 1 . . . . 55 ALA HA . 15152 1 645 . 1 1 55 55 ALA HB1 H 1 1.220 0.03 . 1 . . . . 55 ALA HB1 . 15152 1 646 . 1 1 55 55 ALA HB2 H 1 1.220 0.03 . 1 . . . . 55 ALA HB1 . 15152 1 647 . 1 1 55 55 ALA HB3 H 1 1.220 0.03 . 1 . . . . 55 ALA HB1 . 15152 1 648 . 1 1 55 55 ALA C C 13 181.358 0.3 . 1 . . . . 55 ALA C . 15152 1 649 . 1 1 55 55 ALA CA C 13 50.490 0.3 . 1 . . . . 55 ALA CA . 15152 1 650 . 1 1 55 55 ALA CB C 13 19.370 0.3 . 1 . . . . 55 ALA CB . 15152 1 651 . 1 1 55 55 ALA N N 15 122.839 0.3 . 1 . . . . 55 ALA N . 15152 1 652 . 1 1 56 56 MET H H 1 9.486 0.03 . 1 . . . . 56 MET HN . 15152 1 653 . 1 1 56 56 MET HA H 1 4.650 0.03 . 1 . . . . 56 MET HA . 15152 1 654 . 1 1 56 56 MET HB2 H 1 1.920 0.03 . 2 . . . . 56 MET HB1 . 15152 1 655 . 1 1 56 56 MET HB3 H 1 2.156 0.03 . 2 . . . . 56 MET HB2 . 15152 1 656 . 1 1 56 56 MET HG2 H 1 2.779 0.03 . 2 . . . . 56 MET HG1 . 15152 1 657 . 1 1 56 56 MET HG3 H 1 2.580 0.03 . 2 . . . . 56 MET HG2 . 15152 1 658 . 1 1 56 56 MET C C 13 181.081 0.3 . 1 . . . . 56 MET C . 15152 1 659 . 1 1 56 56 MET CA C 13 55.498 0.3 . 1 . . . . 56 MET CA . 15152 1 660 . 1 1 56 56 MET CB C 13 33.452 0.3 . 1 . . . . 56 MET CB . 15152 1 661 . 1 1 56 56 MET CG C 13 32.650 0.3 . 1 . . . . 56 MET CG . 15152 1 662 . 1 1 56 56 MET N N 15 122.500 0.3 . 1 . . . . 56 MET N . 15152 1 663 . 1 1 57 57 SER H H 1 7.187 0.03 . 1 . . . . 57 SER HN . 15152 1 664 . 1 1 57 57 SER HA H 1 4.440 0.03 . 1 . . . . 57 SER HA . 15152 1 665 . 1 1 57 57 SER HB2 H 1 3.830 0.03 . 2 . . . . 57 SER HB1 . 15152 1 666 . 1 1 57 57 SER HB3 H 1 3.738 0.03 . 2 . . . . 57 SER HB2 . 15152 1 667 . 1 1 57 57 SER C C 13 185.136 0.3 . 1 . . . . 57 SER C . 15152 1 668 . 1 1 57 57 SER CA C 13 57.358 0.3 . 1 . . . . 57 SER CA . 15152 1 669 . 1 1 57 57 SER CB C 13 64.530 0.3 . 1 . . . . 57 SER CB . 15152 1 670 . 1 1 57 57 SER N N 15 108.565 0.3 . 1 . . . . 57 SER N . 15152 1 671 . 1 1 58 58 VAL H H 1 8.739 0.03 . 1 . . . . 58 VAL HN . 15152 1 672 . 1 1 58 58 VAL HA H 1 4.839 0.03 . 1 . . . . 58 VAL HA . 15152 1 673 . 1 1 58 58 VAL HB H 1 2.015 0.03 . 1 . . . . 58 VAL HB . 15152 1 674 . 1 1 58 58 VAL HG11 H 1 0.877 0.03 . 2 . . . . 58 VAL HG11 . 15152 1 675 . 1 1 58 58 VAL HG12 H 1 0.877 0.03 . 2 . . . . 58 VAL HG11 . 15152 1 676 . 1 1 58 58 VAL HG13 H 1 0.877 0.03 . 2 . . . . 58 VAL HG11 . 15152 1 677 . 1 1 58 58 VAL HG21 H 1 1.110 0.03 . 2 . . . . 58 VAL HG21 . 15152 1 678 . 1 1 58 58 VAL HG22 H 1 1.110 0.03 . 2 . . . . 58 VAL HG21 . 15152 1 679 . 1 1 58 58 VAL HG23 H 1 1.110 0.03 . 2 . . . . 58 VAL HG21 . 15152 1 680 . 1 1 58 58 VAL C C 13 181.378 0.3 . 1 . . . . 58 VAL C . 15152 1 681 . 1 1 58 58 VAL CA C 13 62.350 0.3 . 1 . . . . 58 VAL CA . 15152 1 682 . 1 1 58 58 VAL CB C 13 32.655 0.3 . 1 . . . . 58 VAL CB . 15152 1 683 . 1 1 58 58 VAL CG1 C 13 20.700 0.3 . 1 . . . . 58 VAL CG1 . 15152 1 684 . 1 1 58 58 VAL CG2 C 13 20.700 0.3 . 1 . . . . 58 VAL CG2 . 15152 1 685 . 1 1 58 58 VAL N N 15 124.820 0.3 . 1 . . . . 58 VAL N . 15152 1 686 . 1 1 59 59 ILE H H 1 8.575 0.03 . 1 . . . . 59 ILE HN . 15152 1 687 . 1 1 59 59 ILE HA H 1 4.830 0.03 . 1 . . . . 59 ILE HA . 15152 1 688 . 1 1 59 59 ILE HB H 1 1.920 0.03 . 1 . . . . 59 ILE HB . 15152 1 689 . 1 1 59 59 ILE HG12 H 1 0.767 0.03 . 1 . . . . 59 ILE HG11 . 15152 1 690 . 1 1 59 59 ILE HG13 H 1 1.370 0.03 . 1 . . . . 59 ILE HG12 . 15152 1 691 . 1 1 59 59 ILE HG21 H 1 0.763 0.03 . 1 . . . . 59 ILE HG21 . 15152 1 692 . 1 1 59 59 ILE HG22 H 1 0.763 0.03 . 1 . . . . 59 ILE HG21 . 15152 1 693 . 1 1 59 59 ILE HG23 H 1 0.763 0.03 . 1 . . . . 59 ILE HG21 . 15152 1 694 . 1 1 59 59 ILE HD11 H 1 0.646 0.03 . 1 . . . . 59 ILE HD11 . 15152 1 695 . 1 1 59 59 ILE HD12 H 1 0.646 0.03 . 1 . . . . 59 ILE HD11 . 15152 1 696 . 1 1 59 59 ILE HD13 H 1 0.646 0.03 . 1 . . . . 59 ILE HD11 . 15152 1 697 . 1 1 59 59 ILE C C 13 183.567 0.3 . 1 . . . . 59 ILE C . 15152 1 698 . 1 1 59 59 ILE CA C 13 59.250 0.3 . 1 . . . . 59 ILE CA . 15152 1 699 . 1 1 59 59 ILE CB C 13 41.420 0.3 . 1 . . . . 59 ILE CB . 15152 1 700 . 1 1 59 59 ILE CG1 C 13 26.014 0.3 . 1 . . . . 59 ILE CG1 . 15152 1 701 . 1 1 59 59 ILE CG2 C 13 18.040 0.3 . 1 . . . . 59 ILE CG2 . 15152 1 702 . 1 1 59 59 ILE CD1 C 13 13.530 0.3 . 1 . . . . 59 ILE CD1 . 15152 1 703 . 1 1 59 59 ILE N N 15 123.518 0.3 . 1 . . . . 59 ILE N . 15152 1 704 . 1 1 60 60 ASN H H 1 8.745 0.03 . 1 . . . . 60 ASN HN . 15152 1 705 . 1 1 60 60 ASN HA H 1 4.856 0.03 . 1 . . . . 60 ASN HA . 15152 1 706 . 1 1 60 60 ASN HB2 H 1 2.890 0.03 . 2 . . . . 60 ASN HB1 . 15152 1 707 . 1 1 60 60 ASN HB3 H 1 3.125 0.03 . 2 . . . . 60 ASN HB2 . 15152 1 708 . 1 1 60 60 ASN HD21 H 1 6.951 0.03 . 2 . . . . 60 ASN HD21 . 15152 1 709 . 1 1 60 60 ASN HD22 H 1 7.649 0.03 . 2 . . . . 60 ASN HD22 . 15152 1 710 . 1 1 60 60 ASN C C 13 182.397 0.3 . 1 . . . . 60 ASN C . 15152 1 711 . 1 1 60 60 ASN CA C 13 52.280 0.3 . 1 . . . . 60 ASN CA . 15152 1 712 . 1 1 60 60 ASN CB C 13 39.560 0.3 . 1 . . . . 60 ASN CB . 15152 1 713 . 1 1 60 60 ASN N N 15 119.720 0.3 . 1 . . . . 60 ASN N . 15152 1 714 . 1 1 60 60 ASN ND2 N 15 113.890 0.3 . 1 . . . . 60 ASN ND2 . 15152 1 715 . 1 1 61 61 GLU H H 1 8.723 0.03 . 1 . . . . 61 GLU HN . 15152 1 716 . 1 1 61 61 GLU HA H 1 2.881 0.03 . 1 . . . . 61 GLU HA . 15152 1 717 . 1 1 61 61 GLU HB2 H 1 1.940 0.03 . 2 . . . . 61 GLU HB1 . 15152 1 718 . 1 1 61 61 GLU HB3 H 1 2.079 0.03 . 2 . . . . 61 GLU HB2 . 15152 1 719 . 1 1 61 61 GLU HG2 H 1 1.996 0.03 . 2 . . . . 61 GLU HG1 . 15152 1 720 . 1 1 61 61 GLU HG3 H 1 2.077 0.03 . 2 . . . . 61 GLU HG2 . 15152 1 721 . 1 1 61 61 GLU C C 13 180.606 0.3 . 1 . . . . 61 GLU C . 15152 1 722 . 1 1 61 61 GLU CA C 13 59.748 0.3 . 1 . . . . 61 GLU CA . 15152 1 723 . 1 1 61 61 GLU CB C 13 29.467 0.3 . 1 . . . . 61 GLU CB . 15152 1 724 . 1 1 61 61 GLU CG C 13 36.370 0.3 . 1 . . . . 61 GLU CG . 15152 1 725 . 1 1 61 61 GLU N N 15 121.140 0.3 . 1 . . . . 61 GLU N . 15152 1 726 . 1 1 62 62 ALA H H 1 8.201 0.03 . 1 . . . . 62 ALA HN . 15152 1 727 . 1 1 62 62 ALA HA H 1 3.923 0.03 . 1 . . . . 62 ALA HA . 15152 1 728 . 1 1 62 62 ALA HB1 H 1 1.369 0.03 . 1 . . . . 62 ALA HB1 . 15152 1 729 . 1 1 62 62 ALA HB2 H 1 1.369 0.03 . 1 . . . . 62 ALA HB1 . 15152 1 730 . 1 1 62 62 ALA HB3 H 1 1.369 0.03 . 1 . . . . 62 ALA HB1 . 15152 1 731 . 1 1 62 62 ALA C C 13 177.769 0.3 . 1 . . . . 62 ALA C . 15152 1 732 . 1 1 62 62 ALA CA C 13 55.498 0.3 . 1 . . . . 62 ALA CA . 15152 1 733 . 1 1 62 62 ALA CB C 13 18.046 0.3 . 1 . . . . 62 ALA CB . 15152 1 734 . 1 1 62 62 ALA N N 15 122.500 0.3 . 1 . . . . 62 ALA N . 15152 1 735 . 1 1 63 63 GLU H H 1 7.839 0.03 . 1 . . . . 63 GLU HN . 15152 1 736 . 1 1 63 63 GLU HA H 1 4.037 0.03 . 1 . . . . 63 GLU HA . 15152 1 737 . 1 1 63 63 GLU HB2 H 1 1.870 0.03 . 2 . . . . 63 GLU HB1 . 15152 1 738 . 1 1 63 63 GLU HB3 H 1 2.129 0.03 . 2 . . . . 63 GLU HB2 . 15152 1 739 . 1 1 63 63 GLU HG2 H 1 2.359 0.03 . 2 . . . . 63 GLU HG1 . 15152 1 740 . 1 1 63 63 GLU HG3 H 1 2.131 0.03 . 2 . . . . 63 GLU HG2 . 15152 1 741 . 1 1 63 63 GLU C C 13 178.113 0.3 . 1 . . . . 63 GLU C . 15152 1 742 . 1 1 63 63 GLU CA C 13 58.686 0.3 . 1 . . . . 63 GLU CA . 15152 1 743 . 1 1 63 63 GLU CB C 13 29.470 0.3 . 1 . . . . 63 GLU CB . 15152 1 744 . 1 1 63 63 GLU CG C 13 36.905 0.3 . 1 . . . . 63 GLU CG . 15152 1 745 . 1 1 63 63 GLU N N 15 119.160 0.3 . 1 . . . . 63 GLU N . 15152 1 746 . 1 1 64 64 ALA H H 1 8.143 0.03 . 1 . . . . 64 ALA HN . 15152 1 747 . 1 1 64 64 ALA HA H 1 3.515 0.03 . 1 . . . . 64 ALA HA . 15152 1 748 . 1 1 64 64 ALA HB1 H 1 0.555 0.03 . 1 . . . . 64 ALA HB1 . 15152 1 749 . 1 1 64 64 ALA HB2 H 1 0.555 0.03 . 1 . . . . 64 ALA HB1 . 15152 1 750 . 1 1 64 64 ALA HB3 H 1 0.555 0.03 . 1 . . . . 64 ALA HB1 . 15152 1 751 . 1 1 64 64 ALA C C 13 179.207 0.3 . 1 . . . . 64 ALA C . 15152 1 752 . 1 1 64 64 ALA CA C 13 55.500 0.3 . 1 . . . . 64 ALA CA . 15152 1 753 . 1 1 64 64 ALA CB C 13 17.780 0.3 . 1 . . . . 64 ALA CB . 15152 1 754 . 1 1 64 64 ALA N N 15 124.370 0.3 . 1 . . . . 64 ALA N . 15152 1 755 . 1 1 65 65 ARG H H 1 7.928 0.03 . 1 . . . . 65 ARG HN . 15152 1 756 . 1 1 65 65 ARG HA H 1 3.740 0.03 . 1 . . . . 65 ARG HA . 15152 1 757 . 1 1 65 65 ARG HB2 H 1 1.773 0.03 . 2 . . . . 65 ARG HB1 . 15152 1 758 . 1 1 65 65 ARG HB3 H 1 1.842 0.03 . 2 . . . . 65 ARG HB2 . 15152 1 759 . 1 1 65 65 ARG HG2 H 1 1.500 0.03 . 2 . . . . 65 ARG HG1 . 15152 1 760 . 1 1 65 65 ARG HG3 H 1 1.600 0.03 . 2 . . . . 65 ARG HG2 . 15152 1 761 . 1 1 65 65 ARG HD2 H 1 3.105 0.03 . 1 . . . . 65 ARG HD1 . 15152 1 762 . 1 1 65 65 ARG HD3 H 1 3.105 0.03 . 1 . . . . 65 ARG HD2 . 15152 1 763 . 1 1 65 65 ARG HE H 1 7.383 0.03 . 1 . . . . 65 ARG HE . 15152 1 764 . 1 1 65 65 ARG C C 13 184.234 0.3 . 1 . . . . 65 ARG C . 15152 1 765 . 1 1 65 65 ARG CA C 13 58.950 0.3 . 1 . . . . 65 ARG CA . 15152 1 766 . 1 1 65 65 ARG CB C 13 29.467 0.3 . 1 . . . . 65 ARG CB . 15152 1 767 . 1 1 65 65 ARG CG C 13 27.077 0.3 . 1 . . . . 65 ARG CG . 15152 1 768 . 1 1 65 65 ARG CD C 13 43.150 0.3 . 1 . . . . 65 ARG CD . 15152 1 769 . 1 1 65 65 ARG N N 15 118.138 0.3 . 1 . . . . 65 ARG N . 15152 1 770 . 1 1 65 65 ARG NE N 15 114.965 0.3 . 1 . . . . 65 ARG NE . 15152 1 771 . 1 1 66 66 ASP H H 1 8.003 0.03 . 1 . . . . 66 ASP HN . 15152 1 772 . 1 1 66 66 ASP HA H 1 4.373 0.03 . 1 . . . . 66 ASP HA . 15152 1 773 . 1 1 66 66 ASP HB2 H 1 2.701 0.03 . 2 . . . . 66 ASP HB1 . 15152 1 774 . 1 1 66 66 ASP HB3 H 1 2.653 0.03 . 2 . . . . 66 ASP HB2 . 15152 1 775 . 1 1 66 66 ASP C C 13 178.282 0.3 . 1 . . . . 66 ASP C . 15152 1 776 . 1 1 66 66 ASP CA C 13 57.225 0.3 . 1 . . . . 66 ASP CA . 15152 1 777 . 1 1 66 66 ASP CB C 13 40.358 0.3 . 1 . . . . 66 ASP CB . 15152 1 778 . 1 1 66 66 ASP N N 15 120.347 0.3 . 1 . . . . 66 ASP N . 15152 1 779 . 1 1 67 67 THR H H 1 8.263 0.03 . 1 . . . . 67 THR HN . 15152 1 780 . 1 1 67 67 THR HA H 1 3.990 0.03 . 1 . . . . 67 THR HA . 15152 1 781 . 1 1 67 67 THR HB H 1 4.183 0.03 . 1 . . . . 67 THR HB . 15152 1 782 . 1 1 67 67 THR HG21 H 1 1.190 0.03 . 1 . . . . 67 THR HG21 . 15152 1 783 . 1 1 67 67 THR HG22 H 1 1.190 0.03 . 1 . . . . 67 THR HG21 . 15152 1 784 . 1 1 67 67 THR HG23 H 1 1.190 0.03 . 1 . . . . 67 THR HG21 . 15152 1 785 . 1 1 67 67 THR C C 13 181.650 0.3 . 1 . . . . 67 THR C . 15152 1 786 . 1 1 67 67 THR CA C 13 66.654 0.3 . 1 . . . . 67 THR CA . 15152 1 787 . 1 1 67 67 THR CB C 13 68.510 0.3 . 1 . . . . 67 THR CB . 15152 1 788 . 1 1 67 67 THR CG2 C 13 21.764 0.3 . 1 . . . . 67 THR CG2 . 15152 1 789 . 1 1 67 67 THR N N 15 118.760 0.3 . 1 . . . . 67 THR N . 15152 1 790 . 1 1 68 68 LEU H H 1 8.415 0.03 . 1 . . . . 68 LEU HN . 15152 1 791 . 1 1 68 68 LEU HA H 1 4.016 0.03 . 1 . . . . 68 LEU HA . 15152 1 792 . 1 1 68 68 LEU HB2 H 1 1.507 0.03 . 2 . . . . 68 LEU HB1 . 15152 1 793 . 1 1 68 68 LEU HB3 H 1 1.855 0.03 . 2 . . . . 68 LEU HB2 . 15152 1 794 . 1 1 68 68 LEU HG H 1 1.620 0.03 . 1 . . . . 68 LEU HG . 15152 1 795 . 1 1 68 68 LEU HD11 H 1 0.900 0.03 . 2 . . . . 68 LEU HD11 . 15152 1 796 . 1 1 68 68 LEU HD12 H 1 0.900 0.03 . 2 . . . . 68 LEU HD11 . 15152 1 797 . 1 1 68 68 LEU HD13 H 1 0.900 0.03 . 2 . . . . 68 LEU HD11 . 15152 1 798 . 1 1 68 68 LEU HD21 H 1 1.002 0.03 . 2 . . . . 68 LEU HD21 . 15152 1 799 . 1 1 68 68 LEU HD22 H 1 1.002 0.03 . 2 . . . . 68 LEU HD21 . 15152 1 800 . 1 1 68 68 LEU HD23 H 1 1.002 0.03 . 2 . . . . 68 LEU HD21 . 15152 1 801 . 1 1 68 68 LEU C C 13 181.676 0.3 . 1 . . . . 68 LEU C . 15152 1 802 . 1 1 68 68 LEU CA C 13 58.420 0.3 . 1 . . . . 68 LEU CA . 15152 1 803 . 1 1 68 68 LEU CB C 13 41.686 0.3 . 1 . . . . 68 LEU CB . 15152 1 804 . 1 1 68 68 LEU CG C 13 27.608 0.3 . 1 . . . . 68 LEU CG . 15152 1 805 . 1 1 68 68 LEU CD1 C 13 25.480 0.3 . 1 . . . . 68 LEU CD1 . 15152 1 806 . 1 1 68 68 LEU CD2 C 13 23.620 0.3 . 1 . . . . 68 LEU CD2 . 15152 1 807 . 1 1 68 68 LEU N N 15 123.240 0.3 . 1 . . . . 68 LEU N . 15152 1 808 . 1 1 69 69 ASP H H 1 8.161 0.03 . 1 . . . . 69 ASP HN . 15152 1 809 . 1 1 69 69 ASP HA H 1 4.407 0.03 . 1 . . . . 69 ASP HA . 15152 1 810 . 1 1 69 69 ASP HB2 H 1 2.662 0.03 . 2 . . . . 69 ASP HB1 . 15152 1 811 . 1 1 69 69 ASP HB3 H 1 2.776 0.03 . 2 . . . . 69 ASP HB2 . 15152 1 812 . 1 1 69 69 ASP C C 13 179.453 0.3 . 1 . . . . 69 ASP C . 15152 1 813 . 1 1 69 69 ASP CA C 13 57.358 0.3 . 1 . . . . 69 ASP CA . 15152 1 814 . 1 1 69 69 ASP CB C 13 40.680 0.3 . 1 . . . . 69 ASP CB . 15152 1 815 . 1 1 69 69 ASP N N 15 120.234 0.3 . 1 . . . . 69 ASP N . 15152 1 816 . 1 1 70 70 ALA H H 1 7.681 0.03 . 1 . . . . 70 ALA HN . 15152 1 817 . 1 1 70 70 ALA HA H 1 4.208 0.03 . 1 . . . . 70 ALA HA . 15152 1 818 . 1 1 70 70 ALA HB1 H 1 1.544 0.03 . 1 . . . . 70 ALA HB1 . 15152 1 819 . 1 1 70 70 ALA HB2 H 1 1.544 0.03 . 1 . . . . 70 ALA HB1 . 15152 1 820 . 1 1 70 70 ALA HB3 H 1 1.544 0.03 . 1 . . . . 70 ALA HB1 . 15152 1 821 . 1 1 70 70 ALA C C 13 177.300 0.3 . 1 . . . . 70 ALA C . 15152 1 822 . 1 1 70 70 ALA CA C 13 54.700 0.3 . 1 . . . . 70 ALA CA . 15152 1 823 . 1 1 70 70 ALA CB C 13 18.310 0.3 . 1 . . . . 70 ALA CB . 15152 1 824 . 1 1 70 70 ALA N N 15 122.500 0.3 . 1 . . . . 70 ALA N . 15152 1 825 . 1 1 71 71 LEU H H 1 8.136 0.03 . 1 . . . . 71 LEU HN . 15152 1 826 . 1 1 71 71 LEU HA H 1 4.178 0.03 . 1 . . . . 71 LEU HA . 15152 1 827 . 1 1 71 71 LEU HB2 H 1 1.552 0.03 . 2 . . . . 71 LEU HB1 . 15152 1 828 . 1 1 71 71 LEU HB3 H 1 1.902 0.03 . 2 . . . . 71 LEU HB2 . 15152 1 829 . 1 1 71 71 LEU HG H 1 0.990 0.03 . 1 . . . . 71 LEU HG . 15152 1 830 . 1 1 71 71 LEU HD11 H 1 0.930 0.03 . 2 . . . . 71 LEU HD11 . 15152 1 831 . 1 1 71 71 LEU HD12 H 1 0.930 0.03 . 2 . . . . 71 LEU HD11 . 15152 1 832 . 1 1 71 71 LEU HD13 H 1 0.930 0.03 . 2 . . . . 71 LEU HD11 . 15152 1 833 . 1 1 71 71 LEU HD21 H 1 0.930 0.03 . 2 . . . . 71 LEU HD21 . 15152 1 834 . 1 1 71 71 LEU HD22 H 1 0.930 0.03 . 2 . . . . 71 LEU HD21 . 15152 1 835 . 1 1 71 71 LEU HD23 H 1 0.930 0.03 . 2 . . . . 71 LEU HD21 . 15152 1 836 . 1 1 71 71 LEU C C 13 180.171 0.3 . 1 . . . . 71 LEU C . 15152 1 837 . 1 1 71 71 LEU CA C 13 57.090 0.3 . 1 . . . . 71 LEU CA . 15152 1 838 . 1 1 71 71 LEU CB C 13 42.480 0.3 . 1 . . . . 71 LEU CB . 15152 1 839 . 1 1 71 71 LEU CG C 13 26.280 0.3 . 1 . . . . 71 LEU CG . 15152 1 840 . 1 1 71 71 LEU CD1 C 13 23.360 0.3 . 1 . . . . 71 LEU CD1 . 15152 1 841 . 1 1 71 71 LEU CD2 C 13 23.360 0.3 . 1 . . . . 71 LEU CD2 . 15152 1 842 . 1 1 71 71 LEU N N 15 119.890 0.3 . 1 . . . . 71 LEU N . 15152 1 843 . 1 1 72 72 GLN H H 1 7.998 0.03 . 1 . . . . 72 GLN HN . 15152 1 844 . 1 1 72 72 GLN HA H 1 4.144 0.03 . 1 . . . . 72 GLN HA . 15152 1 845 . 1 1 72 72 GLN HB2 H 1 2.169 0.03 . 1 . . . . 72 GLN HB1 . 15152 1 846 . 1 1 72 72 GLN HB3 H 1 2.169 0.03 . 1 . . . . 72 GLN HB2 . 15152 1 847 . 1 1 72 72 GLN HG2 H 1 2.520 0.03 . 2 . . . . 72 GLN HG1 . 15152 1 848 . 1 1 72 72 GLN HG3 H 1 2.450 0.03 . 2 . . . . 72 GLN HG2 . 15152 1 849 . 1 1 72 72 GLN HE21 H 1 7.453 0.03 . 2 . . . . 72 GLN HE21 . 15152 1 850 . 1 1 72 72 GLN HE22 H 1 6.862 0.03 . 2 . . . . 72 GLN HE22 . 15152 1 851 . 1 1 72 72 GLN C C 13 181.025 0.3 . 1 . . . . 72 GLN C . 15152 1 852 . 1 1 72 72 GLN CA C 13 57.623 0.3 . 1 . . . . 72 GLN CA . 15152 1 853 . 1 1 72 72 GLN CB C 13 28.940 0.3 . 1 . . . . 72 GLN CB . 15152 1 854 . 1 1 72 72 GLN CG C 13 34.250 0.3 . 1 . . . . 72 GLN CG . 15152 1 855 . 1 1 72 72 GLN N N 15 118.138 0.3 . 1 . . . . 72 GLN N . 15152 1 856 . 1 1 72 72 GLN NE2 N 15 112.417 0.3 . 1 . . . . 72 GLN NE2 . 15152 1 857 . 1 1 73 73 ASN H H 1 7.907 0.03 . 1 . . . . 73 ASN HN . 15152 1 858 . 1 1 73 73 ASN HA H 1 4.670 0.03 . 1 . . . . 73 ASN HA . 15152 1 859 . 1 1 73 73 ASN HB2 H 1 2.734 0.03 . 2 . . . . 73 ASN HB1 . 15152 1 860 . 1 1 73 73 ASN HB3 H 1 2.854 0.03 . 2 . . . . 73 ASN HB2 . 15152 1 861 . 1 1 73 73 ASN HD21 H 1 7.628 0.03 . 2 . . . . 73 ASN HD21 . 15152 1 862 . 1 1 73 73 ASN HD22 H 1 6.918 0.03 . 2 . . . . 73 ASN HD22 . 15152 1 863 . 1 1 73 73 ASN C C 13 179.099 0.3 . 1 . . . . 73 ASN C . 15152 1 864 . 1 1 73 73 ASN CA C 13 54.170 0.3 . 1 . . . . 73 ASN CA . 15152 1 865 . 1 1 73 73 ASN CB C 13 39.290 0.3 . 1 . . . . 73 ASN CB . 15152 1 866 . 1 1 73 73 ASN N N 15 117.000 0.3 . 1 . . . . 73 ASN N . 15152 1 867 . 1 1 73 73 ASN ND2 N 15 114.280 0.3 . 1 . . . . 73 ASN ND2 . 15152 1 868 . 1 1 74 74 MET H H 1 7.782 0.03 . 1 . . . . 74 MET HN . 15152 1 869 . 1 1 74 74 MET HA H 1 4.340 0.03 . 1 . . . . 74 MET HA . 15152 1 870 . 1 1 74 74 MET HB2 H 1 1.994 0.03 . 1 . . . . 74 MET HB1 . 15152 1 871 . 1 1 74 74 MET HB3 H 1 1.994 0.03 . 1 . . . . 74 MET HB2 . 15152 1 872 . 1 1 74 74 MET HG2 H 1 2.560 0.03 . 2 . . . . 74 MET HG1 . 15152 1 873 . 1 1 74 74 MET HG3 H 1 2.455 0.03 . 2 . . . . 74 MET HG2 . 15152 1 874 . 1 1 74 74 MET C C 13 178.440 0.3 . 1 . . . . 74 MET C . 15152 1 875 . 1 1 74 74 MET CA C 13 56.295 0.3 . 1 . . . . 74 MET CA . 15152 1 876 . 1 1 74 74 MET CB C 13 33.190 0.3 . 1 . . . . 74 MET CB . 15152 1 877 . 1 1 74 74 MET CG C 13 32.120 0.3 . 1 . . . . 74 MET CG . 15152 1 878 . 1 1 74 74 MET N N 15 120.010 0.3 . 1 . . . . 74 MET N . 15152 1 879 . 1 1 75 75 PHE H H 1 8.114 0.03 . 1 . . . . 75 PHE HN . 15152 1 880 . 1 1 75 75 PHE HA H 1 4.656 0.03 . 1 . . . . 75 PHE HA . 15152 1 881 . 1 1 75 75 PHE HB2 H 1 3.030 0.03 . 2 . . . . 75 PHE HB1 . 15152 1 882 . 1 1 75 75 PHE HB3 H 1 3.240 0.03 . 2 . . . . 75 PHE HB2 . 15152 1 883 . 1 1 75 75 PHE HD1 H 1 7.292 0.03 . 3 . . . . 75 PHE HD1 . 15152 1 884 . 1 1 75 75 PHE HE1 H 1 7.356 0.03 . 3 . . . . 75 PHE HE1 . 15152 1 885 . 1 1 75 75 PHE C C 13 182.078 0.3 . 1 . . . . 75 PHE C . 15152 1 886 . 1 1 75 75 PHE CA C 13 57.960 0.3 . 1 . . . . 75 PHE CA . 15152 1 887 . 1 1 75 75 PHE CB C 13 39.560 0.3 . 1 . . . . 75 PHE CB . 15152 1 888 . 1 1 75 75 PHE CD1 C 13 131.780 0.3 . 1 . . . . 75 PHE CD1 . 15152 1 889 . 1 1 75 75 PHE CE1 C 13 131.899 0.3 . 1 . . . . 75 PHE CE1 . 15152 1 890 . 1 1 75 75 PHE N N 15 120.460 0.3 . 1 . . . . 75 PHE N . 15152 1 891 . 1 1 76 76 ASP H H 1 8.257 0.03 . 1 . . . . 76 ASP HN . 15152 1 892 . 1 1 76 76 ASP HA H 1 4.636 0.03 . 1 . . . . 76 ASP HA . 15152 1 893 . 1 1 76 76 ASP HB2 H 1 2.712 0.03 . 2 . . . . 76 ASP HB1 . 15152 1 894 . 1 1 76 76 ASP HB3 H 1 2.600 0.03 . 2 . . . . 76 ASP HB2 . 15152 1 895 . 1 1 76 76 ASP C C 13 181.967 0.3 . 1 . . . . 76 ASP C . 15152 1 896 . 1 1 76 76 ASP CA C 13 54.436 0.3 . 1 . . . . 76 ASP CA . 15152 1 897 . 1 1 76 76 ASP CB C 13 41.420 0.3 . 1 . . . . 76 ASP CB . 15152 1 898 . 1 1 76 76 ASP N N 15 121.080 0.3 . 1 . . . . 76 ASP N . 15152 1 899 . 1 1 77 77 VAL H H 1 7.858 0.03 . 1 . . . . 77 VAL HN . 15152 1 900 . 1 1 77 77 VAL HA H 1 4.220 0.03 . 1 . . . . 77 VAL HA . 15152 1 901 . 1 1 77 77 VAL HB H 1 2.111 0.03 . 1 . . . . 77 VAL HB . 15152 1 902 . 1 1 77 77 VAL HG11 H 1 0.935 0.03 . 2 . . . . 77 VAL HG11 . 15152 1 903 . 1 1 77 77 VAL HG12 H 1 0.935 0.03 . 2 . . . . 77 VAL HG11 . 15152 1 904 . 1 1 77 77 VAL HG13 H 1 0.935 0.03 . 2 . . . . 77 VAL HG11 . 15152 1 905 . 1 1 77 77 VAL HG21 H 1 0.940 0.03 . 2 . . . . 77 VAL HG21 . 15152 1 906 . 1 1 77 77 VAL HG22 H 1 0.940 0.03 . 2 . . . . 77 VAL HG21 . 15152 1 907 . 1 1 77 77 VAL HG23 H 1 0.940 0.03 . 2 . . . . 77 VAL HG21 . 15152 1 908 . 1 1 77 77 VAL C C 13 181.709 0.3 . 1 . . . . 77 VAL C . 15152 1 909 . 1 1 77 77 VAL CA C 13 61.610 0.3 . 1 . . . . 77 VAL CA . 15152 1 910 . 1 1 77 77 VAL CB C 13 33.452 0.3 . 1 . . . . 77 VAL CB . 15152 1 911 . 1 1 77 77 VAL CG1 C 13 20.702 0.3 . 1 . . . . 77 VAL CG1 . 15152 1 912 . 1 1 77 77 VAL CG2 C 13 21.230 0.3 . 1 . . . . 77 VAL CG2 . 15152 1 913 . 1 1 77 77 VAL N N 15 118.420 0.3 . 1 . . . . 77 VAL N . 15152 1 914 . 1 1 78 78 GLU H H 1 8.555 0.03 . 1 . . . . 78 GLU HN . 15152 1 915 . 1 1 78 78 GLU HA H 1 4.580 0.03 . 1 . . . . 78 GLU HA . 15152 1 916 . 1 1 78 78 GLU HB2 H 1 1.957 0.03 . 2 . . . . 78 GLU HB1 . 15152 1 917 . 1 1 78 78 GLU HB3 H 1 2.128 0.03 . 2 . . . . 78 GLU HB2 . 15152 1 918 . 1 1 78 78 GLU HG2 H 1 2.350 0.03 . 1 . . . . 78 GLU HG1 . 15152 1 919 . 1 1 78 78 GLU HG3 H 1 2.350 0.03 . 1 . . . . 78 GLU HG2 . 15152 1 920 . 1 1 78 78 GLU CA C 13 54.700 0.3 . 1 . . . . 78 GLU CA . 15152 1 921 . 1 1 78 78 GLU CB C 13 29.470 0.3 . 1 . . . . 78 GLU CB . 15152 1 922 . 1 1 78 78 GLU CG C 13 36.370 0.3 . 1 . . . . 78 GLU CG . 15152 1 923 . 1 1 78 78 GLU N N 15 126.070 0.3 . 1 . . . . 78 GLU N . 15152 1 924 . 1 1 79 79 PRO HA H 1 4.374 0.03 . 1 . . . . 79 PRO HA . 15152 1 925 . 1 1 79 79 PRO HB2 H 1 1.917 0.03 . 2 . . . . 79 PRO HB1 . 15152 1 926 . 1 1 79 79 PRO HB3 H 1 2.297 0.03 . 2 . . . . 79 PRO HB2 . 15152 1 927 . 1 1 79 79 PRO HG2 H 1 2.028 0.03 . 1 . . . . 79 PRO HG1 . 15152 1 928 . 1 1 79 79 PRO HG3 H 1 2.028 0.03 . 1 . . . . 79 PRO HG2 . 15152 1 929 . 1 1 79 79 PRO HD2 H 1 3.800 0.03 . 1 . . . . 79 PRO HD1 . 15152 1 930 . 1 1 79 79 PRO HD3 H 1 3.800 0.03 . 1 . . . . 79 PRO HD2 . 15152 1 931 . 1 1 79 79 PRO C C 13 180.310 0.3 . 1 . . . . 79 PRO C . 15152 1 932 . 1 1 79 79 PRO CA C 13 64.264 0.3 . 1 . . . . 79 PRO CA . 15152 1 933 . 1 1 79 79 PRO CB C 13 32.120 0.3 . 1 . . . . 79 PRO CB . 15152 1 934 . 1 1 79 79 PRO CG C 13 27.340 0.3 . 1 . . . . 79 PRO CG . 15152 1 935 . 1 1 79 79 PRO CD C 13 50.717 0.3 . 1 . . . . 79 PRO CD . 15152 1 936 . 1 1 80 80 ASP H H 1 8.604 0.03 . 1 . . . . 80 ASP HN . 15152 1 937 . 1 1 80 80 ASP HA H 1 4.573 0.03 . 1 . . . . 80 ASP HA . 15152 1 938 . 1 1 80 80 ASP HB2 H 1 2.633 0.03 . 2 . . . . 80 ASP HB1 . 15152 1 939 . 1 1 80 80 ASP HB3 H 1 2.727 0.03 . 2 . . . . 80 ASP HB2 . 15152 1 940 . 1 1 80 80 ASP C C 13 180.477 0.3 . 1 . . . . 80 ASP C . 15152 1 941 . 1 1 80 80 ASP CA C 13 55.100 0.3 . 1 . . . . 80 ASP CA . 15152 1 942 . 1 1 80 80 ASP CB C 13 40.889 0.3 . 1 . . . . 80 ASP CB . 15152 1 943 . 1 1 80 80 ASP N N 15 120.011 0.3 . 1 . . . . 80 ASP N . 15152 1 944 . 1 1 81 81 VAL H H 1 7.950 0.03 . 1 . . . . 81 VAL HN . 15152 1 945 . 1 1 81 81 VAL HA H 1 3.968 0.03 . 1 . . . . 81 VAL HA . 15152 1 946 . 1 1 81 81 VAL HB H 1 2.192 0.03 . 1 . . . . 81 VAL HB . 15152 1 947 . 1 1 81 81 VAL HG11 H 1 0.996 0.03 . 2 . . . . 81 VAL HG11 . 15152 1 948 . 1 1 81 81 VAL HG12 H 1 0.996 0.03 . 2 . . . . 81 VAL HG11 . 15152 1 949 . 1 1 81 81 VAL HG13 H 1 0.996 0.03 . 2 . . . . 81 VAL HG11 . 15152 1 950 . 1 1 81 81 VAL HG21 H 1 0.933 0.03 . 2 . . . . 81 VAL HG21 . 15152 1 951 . 1 1 81 81 VAL HG22 H 1 0.933 0.03 . 2 . . . . 81 VAL HG21 . 15152 1 952 . 1 1 81 81 VAL HG23 H 1 0.933 0.03 . 2 . . . . 81 VAL HG21 . 15152 1 953 . 1 1 81 81 VAL C C 13 180.276 0.3 . 1 . . . . 81 VAL C . 15152 1 954 . 1 1 81 81 VAL CA C 13 64.000 0.3 . 1 . . . . 81 VAL CA . 15152 1 955 . 1 1 81 81 VAL CB C 13 32.390 0.3 . 1 . . . . 81 VAL CB . 15152 1 956 . 1 1 81 81 VAL CG1 C 13 21.200 0.3 . 1 . . . . 81 VAL CG1 . 15152 1 957 . 1 1 81 81 VAL CG2 C 13 21.233 0.3 . 1 . . . . 81 VAL CG2 . 15152 1 958 . 1 1 81 81 VAL N N 15 121.370 0.3 . 1 . . . . 81 VAL N . 15152 1 959 . 1 1 82 82 GLY H H 1 8.530 0.03 . 1 . . . . 82 GLY HN . 15152 1 960 . 1 1 82 82 GLY HA2 H 1 3.767 0.03 . 2 . . . . 82 GLY HA1 . 15152 1 961 . 1 1 82 82 GLY HA3 H 1 3.929 0.03 . 2 . . . . 82 GLY HA2 . 15152 1 962 . 1 1 82 82 GLY C C 13 183.069 0.3 . 1 . . . . 82 GLY C . 15152 1 963 . 1 1 82 82 GLY CA C 13 46.200 0.3 . 1 . . . . 82 GLY CA . 15152 1 964 . 1 1 82 82 GLY N N 15 110.550 0.3 . 1 . . . . 82 GLY N . 15152 1 965 . 1 1 83 83 ALA H H 1 7.978 0.03 . 1 . . . . 83 ALA HN . 15152 1 966 . 1 1 83 83 ALA HA H 1 4.210 0.03 . 1 . . . . 83 ALA HA . 15152 1 967 . 1 1 83 83 ALA HB1 H 1 1.400 0.03 . 1 . . . . 83 ALA HB1 . 15152 1 968 . 1 1 83 83 ALA HB2 H 1 1.400 0.03 . 1 . . . . 83 ALA HB1 . 15152 1 969 . 1 1 83 83 ALA HB3 H 1 1.400 0.03 . 1 . . . . 83 ALA HB1 . 15152 1 970 . 1 1 83 83 ALA C C 13 179.081 0.3 . 1 . . . . 83 ALA C . 15152 1 971 . 1 1 83 83 ALA CA C 13 53.640 0.3 . 1 . . . . 83 ALA CA . 15152 1 972 . 1 1 83 83 ALA CB C 13 19.100 0.3 . 1 . . . . 83 ALA CB . 15152 1 973 . 1 1 83 83 ALA N N 15 123.575 0.3 . 1 . . . . 83 ALA N . 15152 1 974 . 1 1 84 84 LEU H H 1 7.737 0.03 . 1 . . . . 84 LEU HN . 15152 1 975 . 1 1 84 84 LEU HA H 1 4.220 0.03 . 1 . . . . 84 LEU HA . 15152 1 976 . 1 1 84 84 LEU HB2 H 1 1.460 0.03 . 2 . . . . 84 LEU HB1 . 15152 1 977 . 1 1 84 84 LEU HB3 H 1 1.766 0.03 . 2 . . . . 84 LEU HB2 . 15152 1 978 . 1 1 84 84 LEU HG H 1 1.686 0.03 . 1 . . . . 84 LEU HG . 15152 1 979 . 1 1 84 84 LEU HD11 H 1 0.924 0.03 . 2 . . . . 84 LEU HD11 . 15152 1 980 . 1 1 84 84 LEU HD12 H 1 0.924 0.03 . 2 . . . . 84 LEU HD11 . 15152 1 981 . 1 1 84 84 LEU HD13 H 1 0.924 0.03 . 2 . . . . 84 LEU HD11 . 15152 1 982 . 1 1 84 84 LEU HD21 H 1 0.873 0.03 . 2 . . . . 84 LEU HD21 . 15152 1 983 . 1 1 84 84 LEU HD22 H 1 0.873 0.03 . 2 . . . . 84 LEU HD21 . 15152 1 984 . 1 1 84 84 LEU HD23 H 1 0.873 0.03 . 2 . . . . 84 LEU HD21 . 15152 1 985 . 1 1 84 84 LEU C C 13 179.934 0.3 . 1 . . . . 84 LEU C . 15152 1 986 . 1 1 84 84 LEU CA C 13 56.030 0.3 . 1 . . . . 84 LEU CA . 15152 1 987 . 1 1 84 84 LEU CB C 13 42.480 0.3 . 1 . . . . 84 LEU CB . 15152 1 988 . 1 1 84 84 LEU CG C 13 27.077 0.3 . 1 . . . . 84 LEU CG . 15152 1 989 . 1 1 84 84 LEU CD1 C 13 25.217 0.3 . 1 . . . . 84 LEU CD1 . 15152 1 990 . 1 1 84 84 LEU CD2 C 13 23.358 0.3 . 1 . . . . 84 LEU CD2 . 15152 1 991 . 1 1 84 84 LEU N N 15 119.500 0.3 . 1 . . . . 84 LEU N . 15152 1 992 . 1 1 85 85 LEU H H 1 8.029 0.03 . 1 . . . . 85 LEU HN . 15152 1 993 . 1 1 85 85 LEU HA H 1 4.270 0.03 . 1 . . . . 85 LEU HA . 15152 1 994 . 1 1 85 85 LEU HB2 H 1 1.180 0.03 . 2 . . . . 85 LEU HB1 . 15152 1 995 . 1 1 85 85 LEU HB3 H 1 1.405 0.03 . 2 . . . . 85 LEU HB2 . 15152 1 996 . 1 1 85 85 LEU HG H 1 1.480 0.03 . 1 . . . . 85 LEU HG . 15152 1 997 . 1 1 85 85 LEU HD11 H 1 0.800 0.03 . 2 . . . . 85 LEU HD11 . 15152 1 998 . 1 1 85 85 LEU HD12 H 1 0.800 0.03 . 2 . . . . 85 LEU HD11 . 15152 1 999 . 1 1 85 85 LEU HD13 H 1 0.800 0.03 . 2 . . . . 85 LEU HD11 . 15152 1 1000 . 1 1 85 85 LEU HD21 H 1 0.760 0.03 . 2 . . . . 85 LEU HD21 . 15152 1 1001 . 1 1 85 85 LEU HD22 H 1 0.760 0.03 . 2 . . . . 85 LEU HD21 . 15152 1 1002 . 1 1 85 85 LEU HD23 H 1 0.760 0.03 . 2 . . . . 85 LEU HD21 . 15152 1 1003 . 1 1 85 85 LEU C C 13 180.024 0.3 . 1 . . . . 85 LEU C . 15152 1 1004 . 1 1 85 85 LEU CA C 13 55.500 0.3 . 1 . . . . 85 LEU CA . 15152 1 1005 . 1 1 85 85 LEU CB C 13 42.750 0.3 . 1 . . . . 85 LEU CB . 15152 1 1006 . 1 1 85 85 LEU CG C 13 27.077 0.3 . 1 . . . . 85 LEU CG . 15152 1 1007 . 1 1 85 85 LEU CD1 C 13 25.480 0.3 . 1 . . . . 85 LEU CD1 . 15152 1 1008 . 1 1 85 85 LEU CD2 C 13 23.889 0.3 . 1 . . . . 85 LEU CD2 . 15152 1 1009 . 1 1 85 85 LEU N N 15 121.250 0.3 . 1 . . . . 85 LEU N . 15152 1 1010 . 1 1 86 86 TYR H H 1 8.087 0.03 . 1 . . . . 86 TYR HN . 15152 1 1011 . 1 1 86 86 TYR HA H 1 4.660 0.03 . 1 . . . . 86 TYR HA . 15152 1 1012 . 1 1 86 86 TYR HB2 H 1 2.920 0.03 . 2 . . . . 86 TYR HB1 . 15152 1 1013 . 1 1 86 86 TYR HB3 H 1 3.170 0.03 . 2 . . . . 86 TYR HB2 . 15152 1 1014 . 1 1 86 86 TYR HD1 H 1 7.138 0.03 . 3 . . . . 86 TYR HD1 . 15152 1 1015 . 1 1 86 86 TYR HE1 H 1 6.800 0.03 . 3 . . . . 86 TYR HE1 . 15152 1 1016 . 1 1 86 86 TYR C C 13 181.109 0.3 . 1 . . . . 86 TYR C . 15152 1 1017 . 1 1 86 86 TYR CA C 13 57.650 0.3 . 1 . . . . 86 TYR CA . 15152 1 1018 . 1 1 86 86 TYR CB C 13 38.760 0.3 . 1 . . . . 86 TYR CB . 15152 1 1019 . 1 1 86 86 TYR CD1 C 13 133.530 0.3 . 1 . . . . 86 TYR CD1 . 15152 1 1020 . 1 1 86 86 TYR CE1 C 13 118.188 0.3 . 1 . . . . 86 TYR CE1 . 15152 1 1021 . 1 1 86 86 TYR N N 15 119.040 0.3 . 1 . . . . 86 TYR N . 15152 1 1022 . 1 1 87 87 GLY H H 1 8.081 0.03 . 1 . . . . 87 GLY HN . 15152 1 1023 . 1 1 87 87 GLY HA2 H 1 3.971 0.03 . 2 . . . . 87 GLY HA1 . 15152 1 1024 . 1 1 87 87 GLY HA3 H 1 3.931 0.03 . 2 . . . . 87 GLY HA2 . 15152 1 1025 . 1 1 87 87 GLY C C 13 183.936 0.3 . 1 . . . . 87 GLY C . 15152 1 1026 . 1 1 87 87 GLY CA C 13 45.670 0.3 . 1 . . . . 87 GLY CA . 15152 1 1027 . 1 1 87 87 GLY N N 15 110.550 0.3 . 1 . . . . 87 GLY N . 15152 1 1028 . 1 1 88 88 GLU H H 1 8.269 0.03 . 1 . . . . 88 GLU HN . 15152 1 1029 . 1 1 88 88 GLU HA H 1 4.320 0.03 . 1 . . . . 88 GLU HA . 15152 1 1030 . 1 1 88 88 GLU HB2 H 1 1.920 0.03 . 2 . . . . 88 GLU HB1 . 15152 1 1031 . 1 1 88 88 GLU HB3 H 1 2.070 0.03 . 2 . . . . 88 GLU HB2 . 15152 1 1032 . 1 1 88 88 GLU HG2 H 1 2.231 0.03 . 1 . . . . 88 GLU HG1 . 15152 1 1033 . 1 1 88 88 GLU HG3 H 1 2.231 0.03 . 1 . . . . 88 GLU HG2 . 15152 1 1034 . 1 1 88 88 GLU C C 13 181.426 0.3 . 1 . . . . 88 GLU C . 15152 1 1035 . 1 1 88 88 GLU CA C 13 56.290 0.3 . 1 . . . . 88 GLU CA . 15152 1 1036 . 1 1 88 88 GLU CB C 13 30.790 0.3 . 1 . . . . 88 GLU CB . 15152 1 1037 . 1 1 88 88 GLU CG C 13 36.506 0.3 . 1 . . . . 88 GLU CG . 15152 1 1038 . 1 1 88 88 GLU N N 15 120.630 0.3 . 1 . . . . 88 GLU N . 15152 1 1039 . 1 1 89 89 GLU H H 1 8.554 0.03 . 1 . . . . 89 GLU HN . 15152 1 1040 . 1 1 89 89 GLU HA H 1 4.300 0.03 . 1 . . . . 89 GLU HA . 15152 1 1041 . 1 1 89 89 GLU HB2 H 1 1.925 0.03 . 2 . . . . 89 GLU HB1 . 15152 1 1042 . 1 1 89 89 GLU HB3 H 1 2.076 0.03 . 2 . . . . 89 GLU HB2 . 15152 1 1043 . 1 1 89 89 GLU HG2 H 1 2.270 0.03 . 1 . . . . 89 GLU HG1 . 15152 1 1044 . 1 1 89 89 GLU HG3 H 1 2.270 0.03 . 1 . . . . 89 GLU HG2 . 15152 1 1045 . 1 1 89 89 GLU C C 13 182.213 0.3 . 1 . . . . 89 GLU C . 15152 1 1046 . 1 1 89 89 GLU CA C 13 56.290 0.3 . 1 . . . . 89 GLU CA . 15152 1 1047 . 1 1 89 89 GLU CB C 13 30.796 0.3 . 1 . . . . 89 GLU CB . 15152 1 1048 . 1 1 89 89 GLU CG C 13 36.500 0.3 . 1 . . . . 89 GLU CG . 15152 1 1049 . 1 1 89 89 GLU N N 15 123.630 0.3 . 1 . . . . 89 GLU N . 15152 1 1050 . 1 1 90 90 LYS H H 1 8.004 0.03 . 1 . . . . 90 LYS HN . 15152 1 1051 . 1 1 90 90 LYS HA H 1 4.140 0.03 . 1 . . . . 90 LYS HA . 15152 1 1052 . 1 1 90 90 LYS HB2 H 1 1.820 0.03 . 2 . . . . 90 LYS HB1 . 15152 1 1053 . 1 1 90 90 LYS HB3 H 1 1.650 0.03 . 2 . . . . 90 LYS HB2 . 15152 1 1054 . 1 1 90 90 LYS HG2 H 1 1.700 0.03 . 1 . . . . 90 LYS HG1 . 15152 1 1055 . 1 1 90 90 LYS HG3 H 1 1.700 0.03 . 1 . . . . 90 LYS HG2 . 15152 1 1056 . 1 1 90 90 LYS HD2 H 1 1.370 0.03 . 1 . . . . 90 LYS HD1 . 15152 1 1057 . 1 1 90 90 LYS HD3 H 1 1.370 0.03 . 1 . . . . 90 LYS HD2 . 15152 1 1058 . 1 1 90 90 LYS HE2 H 1 2.970 0.03 . 1 . . . . 90 LYS HE1 . 15152 1 1059 . 1 1 90 90 LYS HE3 H 1 2.970 0.03 . 1 . . . . 90 LYS HE2 . 15152 1 1060 . 1 1 90 90 LYS CA C 13 57.620 0.3 . 1 . . . . 90 LYS CA . 15152 1 1061 . 1 1 90 90 LYS CB C 13 33.830 0.3 . 1 . . . . 90 LYS CB . 15152 1 1062 . 1 1 90 90 LYS CG C 13 29.160 0.3 . 1 . . . . 90 LYS CG . 15152 1 1063 . 1 1 90 90 LYS CD C 13 24.550 0.3 . 1 . . . . 90 LYS CD . 15152 1 1064 . 1 1 90 90 LYS CE C 13 42.217 0.3 . 1 . . . . 90 LYS CE . 15152 1 1065 . 1 1 90 90 LYS N N 15 128.670 0.3 . 1 . . . . 90 LYS N . 15152 1 stop_ save_