data_10290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10290 _Entry.Title ; The solution structure of the homeobox domain of human Homeobox protein DLX-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 A. Sasagawa . . . 10290 2 S. Ohnishi . . . 10290 3 N. Tochio . . . 10290 4 K. Saito . . . 10290 5 S. Koshiba . . . 10290 6 M. Inoue . . . 10290 7 T. Kigawa . . . 10290 8 S. Yokoyama . . . 10290 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 10290 '15N chemical shifts' 62 10290 '1H chemical shifts' 433 10290 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 . . 2009-12-17 2008-12-17 original author . 10290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJN 'BMRB Entry Tracking System' 10290 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The solution structure of the homeobox domain of human Homeobox protein DLX-5' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Sasagawa . . . 10290 1 2 S. Ohnishi . . . 10290 1 3 N. Tochio . . . 10290 1 4 K. Saito . . . 10290 1 5 S. Koshiba . . . 10290 1 6 M. Inoue . . . 10290 1 7 T. Kigawa . . . 10290 1 8 S. Yokoyama . . . 10290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10290 _Assembly.ID 1 _Assembly.Name 'Homeobox protein DLX-5' _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 . _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 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10290 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DJN . . . . . . 10290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRKPRTIYSSFQLA ALQRRFQKTQYLALPERAEL AASLGLTQTQVKIWFQNKRS KIKKSGPSSG ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2DJN . "The Solution Structure Of The Homeobox Domain Of Human Homeobox Protein Dlx-5" . . . . . 100.00 70 100.00 100.00 5.74e-40 . . . . 10290 1 2 no DBJ BAA06534 . "Dlx-3 hoemeobox protein [Rattus norvegicus]" . . . . . 81.43 289 100.00 100.00 2.04e-30 . . . . 10290 1 3 no DBJ BAB14587 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 289 100.00 100.00 2.65e-30 . . . . 10290 1 4 no DBJ BAB69965 . "distal-less homeobox protein 5 [Oryctolagus cuniculus]" . . . . . 81.43 99 100.00 100.00 4.65e-31 . . . . 10290 1 5 no DBJ BAB71722 . "distal-less homeobox protein 5 [Rattus norvegicus]" . . . . . 81.43 197 100.00 100.00 9.79e-31 . . . . 10290 1 6 no DBJ BAE34656 . "unnamed protein product [Mus musculus]" . . . . . 81.43 289 100.00 100.00 2.29e-30 . . . . 10290 1 7 no EMBL CAG09955 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 62.86 370 100.00 100.00 5.32e-19 . . . . 10290 1 8 no EMBL CAJ82666 . "distal-less homeo box 5 [Xenopus (Silurana) tropicalis]" . . . . . 81.43 289 100.00 100.00 3.66e-30 . . . . 10290 1 9 no GB AAA02622 . "X-DLL3 [Xenopus laevis]" . . . . . 81.43 298 100.00 100.00 3.17e-30 . . . . 10290 1 10 no GB AAA02623 . "X-DLL3 [Xenopus laevis]" . . . . . 81.43 289 100.00 100.00 3.10e-30 . . . . 10290 1 11 no GB AAA42026 . "homeoprotein [Rattus norvegicus]" . . . . . 81.43 289 100.00 100.00 2.31e-30 . . . . 10290 1 12 no GB AAA96145 . "distal-less-5 [Gallus gallus]" . . . . . 81.43 286 100.00 100.00 3.74e-30 . . . . 10290 1 13 no GB AAB30280 . "homeobox DLX5 product [human, embryo, Peptide, 66 aa]" . . . . . 81.43 66 100.00 100.00 6.02e-31 . . . . 10290 1 14 no REF NP_001004778 . "homeobox protein DLX-5 [Xenopus (Silurana) tropicalis]" . . . . . 81.43 289 100.00 100.00 3.66e-30 . . . . 10290 1 15 no REF NP_001068781 . "homeobox protein DLX-5 [Bos taurus]" . . . . . 81.43 289 100.00 100.00 2.29e-30 . . . . 10290 1 16 no REF NP_001084033 . "homeobox protein DLL-3 [Xenopus laevis]" . . . . . 81.43 286 100.00 100.00 2.79e-30 . . . . 10290 1 17 no REF NP_001153132 . "homeobox protein DLX-5 [Sus scrofa]" . . . . . 81.43 289 100.00 100.00 2.22e-30 . . . . 10290 1 18 no REF NP_005212 . "homeobox protein DLX-5 [Homo sapiens]" . . . . . 81.43 289 100.00 100.00 2.65e-30 . . . . 10290 1 19 no SP P50575 . "RecName: Full=Homeobox protein DLX-5; AltName: Full=Homeobox protein DLX-3; AltName: Full=RDLX" . . . . . 81.43 289 100.00 100.00 2.04e-30 . . . . 10290 1 20 no SP P50577 . "RecName: Full=Homeobox protein DLX-5; Short=cDlx" . . . . . 81.43 286 100.00 100.00 3.74e-30 . . . . 10290 1 21 no SP P54655 . "RecName: Full=Homeobox protein DLL-3; Short=XDLL-3" . . . . . 81.43 289 100.00 100.00 3.10e-30 . . . . 10290 1 22 no SP P56178 . "RecName: Full=Homeobox protein DLX-5" . . . . . 81.43 289 100.00 100.00 2.65e-30 . . . . 10290 1 23 no SP P70396 . "RecName: Full=Homeobox protein DLX-5" . . . . . 81.43 289 100.00 100.00 2.29e-30 . . . . 10290 1 24 no TPG DAA30786 . "TPA: distal-less homeobox 5 [Bos taurus]" . . . . . 81.43 289 100.00 100.00 2.29e-30 . . . . 10290 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10290 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10290 1 2 . SER . 10290 1 3 . SER . 10290 1 4 . GLY . 10290 1 5 . SER . 10290 1 6 . SER . 10290 1 7 . GLY . 10290 1 8 . ARG . 10290 1 9 . LYS . 10290 1 10 . PRO . 10290 1 11 . ARG . 10290 1 12 . THR . 10290 1 13 . ILE . 10290 1 14 . TYR . 10290 1 15 . SER . 10290 1 16 . SER . 10290 1 17 . PHE . 10290 1 18 . GLN . 10290 1 19 . LEU . 10290 1 20 . ALA . 10290 1 21 . ALA . 10290 1 22 . LEU . 10290 1 23 . GLN . 10290 1 24 . ARG . 10290 1 25 . ARG . 10290 1 26 . PHE . 10290 1 27 . GLN . 10290 1 28 . LYS . 10290 1 29 . THR . 10290 1 30 . GLN . 10290 1 31 . TYR . 10290 1 32 . LEU . 10290 1 33 . ALA . 10290 1 34 . LEU . 10290 1 35 . PRO . 10290 1 36 . GLU . 10290 1 37 . ARG . 10290 1 38 . ALA . 10290 1 39 . GLU . 10290 1 40 . LEU . 10290 1 41 . ALA . 10290 1 42 . ALA . 10290 1 43 . SER . 10290 1 44 . LEU . 10290 1 45 . GLY . 10290 1 46 . LEU . 10290 1 47 . THR . 10290 1 48 . GLN . 10290 1 49 . THR . 10290 1 50 . GLN . 10290 1 51 . VAL . 10290 1 52 . LYS . 10290 1 53 . ILE . 10290 1 54 . TRP . 10290 1 55 . PHE . 10290 1 56 . GLN . 10290 1 57 . ASN . 10290 1 58 . LYS . 10290 1 59 . ARG . 10290 1 60 . SER . 10290 1 61 . LYS . 10290 1 62 . ILE . 10290 1 63 . LYS . 10290 1 64 . LYS . 10290 1 65 . SER . 10290 1 66 . GLY . 10290 1 67 . PRO . 10290 1 68 . SER . 10290 1 69 . SER . 10290 1 70 . GLY . 10290 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10290 1 . SER 2 2 10290 1 . SER 3 3 10290 1 . GLY 4 4 10290 1 . SER 5 5 10290 1 . SER 6 6 10290 1 . GLY 7 7 10290 1 . ARG 8 8 10290 1 . LYS 9 9 10290 1 . PRO 10 10 10290 1 . ARG 11 11 10290 1 . THR 12 12 10290 1 . ILE 13 13 10290 1 . TYR 14 14 10290 1 . SER 15 15 10290 1 . SER 16 16 10290 1 . PHE 17 17 10290 1 . GLN 18 18 10290 1 . LEU 19 19 10290 1 . ALA 20 20 10290 1 . ALA 21 21 10290 1 . LEU 22 22 10290 1 . GLN 23 23 10290 1 . ARG 24 24 10290 1 . ARG 25 25 10290 1 . PHE 26 26 10290 1 . GLN 27 27 10290 1 . LYS 28 28 10290 1 . THR 29 29 10290 1 . GLN 30 30 10290 1 . TYR 31 31 10290 1 . LEU 32 32 10290 1 . ALA 33 33 10290 1 . LEU 34 34 10290 1 . PRO 35 35 10290 1 . GLU 36 36 10290 1 . ARG 37 37 10290 1 . ALA 38 38 10290 1 . GLU 39 39 10290 1 . LEU 40 40 10290 1 . ALA 41 41 10290 1 . ALA 42 42 10290 1 . SER 43 43 10290 1 . LEU 44 44 10290 1 . GLY 45 45 10290 1 . LEU 46 46 10290 1 . THR 47 47 10290 1 . GLN 48 48 10290 1 . THR 49 49 10290 1 . GLN 50 50 10290 1 . VAL 51 51 10290 1 . LYS 52 52 10290 1 . ILE 53 53 10290 1 . TRP 54 54 10290 1 . PHE 55 55 10290 1 . GLN 56 56 10290 1 . ASN 57 57 10290 1 . LYS 58 58 10290 1 . ARG 59 59 10290 1 . SER 60 60 10290 1 . LYS 61 61 10290 1 . ILE 62 62 10290 1 . LYS 63 63 10290 1 . LYS 64 64 10290 1 . SER 65 65 10290 1 . GLY 66 66 10290 1 . PRO 67 67 10290 1 . SER 68 68 10290 1 . SER 69 69 10290 1 . GLY 70 70 10290 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 10290 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10290 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 10290 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050509-13 . . . . . . 10290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.35 . . mM . . . . 10290 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10290 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10290 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10290 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10290 1 6 H2O . . . . . . solvent 90 . . % . . . . 10290 1 7 D2O . . . . . . solvent 10 . . % . . . . 10290 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10290 _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' 120 0.1 mM 10290 1 pH 7.0 0.05 pH 10290 1 pressure 1 0.001 atm 10290 1 temperature 298 0.1 K 10290 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10290 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10290 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10290 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10290 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10290 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10290 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10290 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10290 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10290 _Software.ID 4 _Software.Name Kujira _Software.Version 0.933 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10290 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10290 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10290 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10290 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10290 5 'structure solution' 10290 5 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 10290 _NMR_spectrometer.ID 1 _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 10290 _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 . 800 . . . 10290 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 10290 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10290 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10290 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10290 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10290 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10290 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10290 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10290 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 8 8 ARG HA H 1 4.360 0.030 . 1 . . . . 8 ARG HA . 10290 1 2 . 1 1 8 8 ARG HB2 H 1 1.805 0.030 . 1 . . . . 8 ARG HB2 . 10290 1 3 . 1 1 8 8 ARG HB3 H 1 1.805 0.030 . 1 . . . . 8 ARG HB3 . 10290 1 4 . 1 1 8 8 ARG HD2 H 1 3.217 0.030 . 1 . . . . 8 ARG HD2 . 10290 1 5 . 1 1 8 8 ARG HD3 H 1 3.217 0.030 . 1 . . . . 8 ARG HD3 . 10290 1 6 . 1 1 8 8 ARG HG2 H 1 1.644 0.030 . 2 . . . . 8 ARG HG2 . 10290 1 7 . 1 1 8 8 ARG HG3 H 1 1.680 0.030 . 2 . . . . 8 ARG HG3 . 10290 1 8 . 1 1 8 8 ARG C C 13 176.260 0.300 . 1 . . . . 8 ARG C . 10290 1 9 . 1 1 8 8 ARG CA C 13 55.966 0.300 . 1 . . . . 8 ARG CA . 10290 1 10 . 1 1 8 8 ARG CB C 13 30.838 0.300 . 1 . . . . 8 ARG CB . 10290 1 11 . 1 1 8 8 ARG CD C 13 43.413 0.300 . 1 . . . . 8 ARG CD . 10290 1 12 . 1 1 8 8 ARG CG C 13 27.180 0.300 . 1 . . . . 8 ARG CG . 10290 1 13 . 1 1 9 9 LYS H H 1 8.400 0.030 . 1 . . . . 9 LYS H . 10290 1 14 . 1 1 9 9 LYS C C 13 174.555 0.300 . 1 . . . . 9 LYS C . 10290 1 15 . 1 1 9 9 LYS CA C 13 54.274 0.300 . 1 . . . . 9 LYS CA . 10290 1 16 . 1 1 9 9 LYS CB C 13 32.440 0.300 . 1 . . . . 9 LYS CB . 10290 1 17 . 1 1 9 9 LYS N N 15 124.470 0.300 . 1 . . . . 9 LYS N . 10290 1 18 . 1 1 10 10 PRO HA H 1 4.441 0.030 . 1 . . . . 10 PRO HA . 10290 1 19 . 1 1 10 10 PRO HB2 H 1 2.314 0.030 . 2 . . . . 10 PRO HB2 . 10290 1 20 . 1 1 10 10 PRO HB3 H 1 1.901 0.030 . 2 . . . . 10 PRO HB3 . 10290 1 21 . 1 1 10 10 PRO HD2 H 1 3.845 0.030 . 2 . . . . 10 PRO HD2 . 10290 1 22 . 1 1 10 10 PRO HD3 H 1 3.652 0.030 . 2 . . . . 10 PRO HD3 . 10290 1 23 . 1 1 10 10 PRO HG2 H 1 2.026 0.030 . 1 . . . . 10 PRO HG2 . 10290 1 24 . 1 1 10 10 PRO HG3 H 1 2.026 0.030 . 1 . . . . 10 PRO HG3 . 10290 1 25 . 1 1 10 10 PRO C C 13 176.789 0.300 . 1 . . . . 10 PRO C . 10290 1 26 . 1 1 10 10 PRO CA C 13 63.088 0.300 . 1 . . . . 10 PRO CA . 10290 1 27 . 1 1 10 10 PRO CB C 13 32.156 0.300 . 1 . . . . 10 PRO CB . 10290 1 28 . 1 1 10 10 PRO CD C 13 50.749 0.300 . 1 . . . . 10 PRO CD . 10290 1 29 . 1 1 10 10 PRO CG C 13 27.427 0.300 . 1 . . . . 10 PRO CG . 10290 1 30 . 1 1 11 11 ARG H H 1 8.471 0.030 . 1 . . . . 11 ARG H . 10290 1 31 . 1 1 11 11 ARG HA H 1 4.370 0.030 . 1 . . . . 11 ARG HA . 10290 1 32 . 1 1 11 11 ARG HB2 H 1 1.894 0.030 . 1 . . . . 11 ARG HB2 . 10290 1 33 . 1 1 11 11 ARG HB3 H 1 1.894 0.030 . 1 . . . . 11 ARG HB3 . 10290 1 34 . 1 1 11 11 ARG HD2 H 1 3.207 0.030 . 1 . . . . 11 ARG HD2 . 10290 1 35 . 1 1 11 11 ARG HD3 H 1 3.207 0.030 . 1 . . . . 11 ARG HD3 . 10290 1 36 . 1 1 11 11 ARG C C 13 176.400 0.300 . 1 . . . . 11 ARG C . 10290 1 37 . 1 1 11 11 ARG CA C 13 56.439 0.300 . 1 . . . . 11 ARG CA . 10290 1 38 . 1 1 11 11 ARG CB C 13 30.710 0.300 . 1 . . . . 11 ARG CB . 10290 1 39 . 1 1 11 11 ARG CD C 13 43.934 0.300 . 1 . . . . 11 ARG CD . 10290 1 40 . 1 1 11 11 ARG N N 15 121.881 0.300 . 1 . . . . 11 ARG N . 10290 1 41 . 1 1 12 12 THR HA H 1 4.270 0.030 . 1 . . . . 12 THR HA . 10290 1 42 . 1 1 12 12 THR HB H 1 4.063 0.030 . 1 . . . . 12 THR HB . 10290 1 43 . 1 1 12 12 THR HG21 H 1 1.019 0.030 . 1 . . . . 12 THR HG2 . 10290 1 44 . 1 1 12 12 THR HG22 H 1 1.019 0.030 . 1 . . . . 12 THR HG2 . 10290 1 45 . 1 1 12 12 THR HG23 H 1 1.019 0.030 . 1 . . . . 12 THR HG2 . 10290 1 46 . 1 1 12 12 THR C C 13 173.737 0.300 . 1 . . . . 12 THR C . 10290 1 47 . 1 1 12 12 THR CA C 13 62.101 0.300 . 1 . . . . 12 THR CA . 10290 1 48 . 1 1 12 12 THR CB C 13 69.896 0.300 . 1 . . . . 12 THR CB . 10290 1 49 . 1 1 12 12 THR CG2 C 13 21.577 0.300 . 1 . . . . 12 THR CG2 . 10290 1 50 . 1 1 13 13 ILE H H 1 8.215 0.030 . 1 . . . . 13 ILE H . 10290 1 51 . 1 1 13 13 ILE HA H 1 4.063 0.030 . 1 . . . . 13 ILE HA . 10290 1 52 . 1 1 13 13 ILE HB H 1 1.698 0.030 . 1 . . . . 13 ILE HB . 10290 1 53 . 1 1 13 13 ILE HD11 H 1 0.775 0.030 . 1 . . . . 13 ILE HD1 . 10290 1 54 . 1 1 13 13 ILE HD12 H 1 0.775 0.030 . 1 . . . . 13 ILE HD1 . 10290 1 55 . 1 1 13 13 ILE HD13 H 1 0.775 0.030 . 1 . . . . 13 ILE HD1 . 10290 1 56 . 1 1 13 13 ILE HG12 H 1 1.288 0.030 . 2 . . . . 13 ILE HG12 . 10290 1 57 . 1 1 13 13 ILE HG13 H 1 1.045 0.030 . 2 . . . . 13 ILE HG13 . 10290 1 58 . 1 1 13 13 ILE HG21 H 1 0.656 0.030 . 1 . . . . 13 ILE HG2 . 10290 1 59 . 1 1 13 13 ILE HG22 H 1 0.656 0.030 . 1 . . . . 13 ILE HG2 . 10290 1 60 . 1 1 13 13 ILE HG23 H 1 0.656 0.030 . 1 . . . . 13 ILE HG2 . 10290 1 61 . 1 1 13 13 ILE C C 13 175.361 0.300 . 1 . . . . 13 ILE C . 10290 1 62 . 1 1 13 13 ILE CA C 13 61.109 0.300 . 1 . . . . 13 ILE CA . 10290 1 63 . 1 1 13 13 ILE CB C 13 38.748 0.300 . 1 . . . . 13 ILE CB . 10290 1 64 . 1 1 13 13 ILE CD1 C 13 12.768 0.300 . 1 . . . . 13 ILE CD1 . 10290 1 65 . 1 1 13 13 ILE CG1 C 13 26.998 0.300 . 1 . . . . 13 ILE CG1 . 10290 1 66 . 1 1 13 13 ILE CG2 C 13 17.247 0.300 . 1 . . . . 13 ILE CG2 . 10290 1 67 . 1 1 13 13 ILE N N 15 124.648 0.300 . 1 . . . . 13 ILE N . 10290 1 68 . 1 1 14 14 TYR H H 1 7.928 0.030 . 1 . . . . 14 TYR H . 10290 1 69 . 1 1 14 14 TYR HA H 1 4.923 0.030 . 1 . . . . 14 TYR HA . 10290 1 70 . 1 1 14 14 TYR HB2 H 1 2.756 0.030 . 2 . . . . 14 TYR HB2 . 10290 1 71 . 1 1 14 14 TYR HB3 H 1 2.985 0.030 . 2 . . . . 14 TYR HB3 . 10290 1 72 . 1 1 14 14 TYR HD1 H 1 7.014 0.030 . 1 . . . . 14 TYR HD1 . 10290 1 73 . 1 1 14 14 TYR HD2 H 1 7.014 0.030 . 1 . . . . 14 TYR HD2 . 10290 1 74 . 1 1 14 14 TYR HE1 H 1 6.732 0.030 . 1 . . . . 14 TYR HE1 . 10290 1 75 . 1 1 14 14 TYR HE2 H 1 6.732 0.030 . 1 . . . . 14 TYR HE2 . 10290 1 76 . 1 1 14 14 TYR C C 13 176.009 0.300 . 1 . . . . 14 TYR C . 10290 1 77 . 1 1 14 14 TYR CA C 13 56.425 0.300 . 1 . . . . 14 TYR CA . 10290 1 78 . 1 1 14 14 TYR CB C 13 39.984 0.300 . 1 . . . . 14 TYR CB . 10290 1 79 . 1 1 14 14 TYR CD1 C 13 133.071 0.300 . 1 . . . . 14 TYR CD1 . 10290 1 80 . 1 1 14 14 TYR CD2 C 13 133.071 0.300 . 1 . . . . 14 TYR CD2 . 10290 1 81 . 1 1 14 14 TYR CE1 C 13 117.917 0.300 . 1 . . . . 14 TYR CE1 . 10290 1 82 . 1 1 14 14 TYR CE2 C 13 117.917 0.300 . 1 . . . . 14 TYR CE2 . 10290 1 83 . 1 1 14 14 TYR N N 15 122.287 0.300 . 1 . . . . 14 TYR N . 10290 1 84 . 1 1 15 15 SER H H 1 9.368 0.030 . 1 . . . . 15 SER H . 10290 1 85 . 1 1 15 15 SER HA H 1 4.639 0.030 . 1 . . . . 15 SER HA . 10290 1 86 . 1 1 15 15 SER HB2 H 1 4.054 0.030 . 2 . . . . 15 SER HB2 . 10290 1 87 . 1 1 15 15 SER HB3 H 1 4.470 0.030 . 2 . . . . 15 SER HB3 . 10290 1 88 . 1 1 15 15 SER C C 13 175.065 0.300 . 1 . . . . 15 SER C . 10290 1 89 . 1 1 15 15 SER CA C 13 56.918 0.300 . 1 . . . . 15 SER CA . 10290 1 90 . 1 1 15 15 SER CB C 13 65.646 0.300 . 1 . . . . 15 SER CB . 10290 1 91 . 1 1 15 15 SER N N 15 119.482 0.300 . 1 . . . . 15 SER N . 10290 1 92 . 1 1 16 16 SER HA H 1 4.181 0.030 . 1 . . . . 16 SER HA . 10290 1 93 . 1 1 16 16 SER HB2 H 1 4.001 0.030 . 1 . . . . 16 SER HB2 . 10290 1 94 . 1 1 16 16 SER HB3 H 1 4.001 0.030 . 1 . . . . 16 SER HB3 . 10290 1 95 . 1 1 16 16 SER CA C 13 62.192 0.300 . 1 . . . . 16 SER CA . 10290 1 96 . 1 1 16 16 SER CB C 13 62.188 0.300 . 1 . . . . 16 SER CB . 10290 1 97 . 1 1 17 17 PHE H H 1 7.815 0.030 . 1 . . . . 17 PHE H . 10290 1 98 . 1 1 17 17 PHE HA H 1 4.313 0.030 . 1 . . . . 17 PHE HA . 10290 1 99 . 1 1 17 17 PHE HB2 H 1 2.954 0.030 . 2 . . . . 17 PHE HB2 . 10290 1 100 . 1 1 17 17 PHE HB3 H 1 3.318 0.030 . 2 . . . . 17 PHE HB3 . 10290 1 101 . 1 1 17 17 PHE HD1 H 1 7.213 0.030 . 1 . . . . 17 PHE HD1 . 10290 1 102 . 1 1 17 17 PHE HD2 H 1 7.213 0.030 . 1 . . . . 17 PHE HD2 . 10290 1 103 . 1 1 17 17 PHE HE1 H 1 7.366 0.030 . 1 . . . . 17 PHE HE1 . 10290 1 104 . 1 1 17 17 PHE HE2 H 1 7.366 0.030 . 1 . . . . 17 PHE HE2 . 10290 1 105 . 1 1 17 17 PHE HZ H 1 7.339 0.030 . 1 . . . . 17 PHE HZ . 10290 1 106 . 1 1 17 17 PHE C C 13 177.979 0.300 . 1 . . . . 17 PHE C . 10290 1 107 . 1 1 17 17 PHE CA C 13 60.981 0.300 . 1 . . . . 17 PHE CA . 10290 1 108 . 1 1 17 17 PHE CB C 13 39.519 0.300 . 1 . . . . 17 PHE CB . 10290 1 109 . 1 1 17 17 PHE CD1 C 13 131.945 0.300 . 1 . . . . 17 PHE CD1 . 10290 1 110 . 1 1 17 17 PHE CD2 C 13 131.945 0.300 . 1 . . . . 17 PHE CD2 . 10290 1 111 . 1 1 17 17 PHE CE1 C 13 131.733 0.300 . 1 . . . . 17 PHE CE1 . 10290 1 112 . 1 1 17 17 PHE CE2 C 13 131.733 0.300 . 1 . . . . 17 PHE CE2 . 10290 1 113 . 1 1 17 17 PHE CZ C 13 130.326 0.300 . 1 . . . . 17 PHE CZ . 10290 1 114 . 1 1 17 17 PHE N N 15 119.320 0.300 . 1 . . . . 17 PHE N . 10290 1 115 . 1 1 18 18 GLN H H 1 7.816 0.030 . 1 . . . . 18 GLN H . 10290 1 116 . 1 1 18 18 GLN HA H 1 3.720 0.030 . 1 . . . . 18 GLN HA . 10290 1 117 . 1 1 18 18 GLN HB2 H 1 1.604 0.030 . 2 . . . . 18 GLN HB2 . 10290 1 118 . 1 1 18 18 GLN HB3 H 1 2.668 0.030 . 2 . . . . 18 GLN HB3 . 10290 1 119 . 1 1 18 18 GLN HE21 H 1 7.782 0.030 . 2 . . . . 18 GLN HE21 . 10290 1 120 . 1 1 18 18 GLN HE22 H 1 6.922 0.030 . 2 . . . . 18 GLN HE22 . 10290 1 121 . 1 1 18 18 GLN HG2 H 1 2.640 0.030 . 2 . . . . 18 GLN HG2 . 10290 1 122 . 1 1 18 18 GLN HG3 H 1 2.469 0.030 . 2 . . . . 18 GLN HG3 . 10290 1 123 . 1 1 18 18 GLN C C 13 177.456 0.300 . 1 . . . . 18 GLN C . 10290 1 124 . 1 1 18 18 GLN CA C 13 58.902 0.300 . 1 . . . . 18 GLN CA . 10290 1 125 . 1 1 18 18 GLN CB C 13 28.118 0.300 . 1 . . . . 18 GLN CB . 10290 1 126 . 1 1 18 18 GLN CG C 13 34.654 0.300 . 1 . . . . 18 GLN CG . 10290 1 127 . 1 1 18 18 GLN N N 15 119.339 0.300 . 1 . . . . 18 GLN N . 10290 1 128 . 1 1 18 18 GLN NE2 N 15 111.014 0.300 . 1 . . . . 18 GLN NE2 . 10290 1 129 . 1 1 19 19 LEU H H 1 8.583 0.030 . 1 . . . . 19 LEU H . 10290 1 130 . 1 1 19 19 LEU HA H 1 3.570 0.030 . 1 . . . . 19 LEU HA . 10290 1 131 . 1 1 19 19 LEU HB2 H 1 1.691 0.030 . 2 . . . . 19 LEU HB2 . 10290 1 132 . 1 1 19 19 LEU HB3 H 1 1.517 0.030 . 2 . . . . 19 LEU HB3 . 10290 1 133 . 1 1 19 19 LEU HD11 H 1 0.923 0.030 . 1 . . . . 19 LEU HD1 . 10290 1 134 . 1 1 19 19 LEU HD12 H 1 0.923 0.030 . 1 . . . . 19 LEU HD1 . 10290 1 135 . 1 1 19 19 LEU HD13 H 1 0.923 0.030 . 1 . . . . 19 LEU HD1 . 10290 1 136 . 1 1 19 19 LEU HD21 H 1 0.839 0.030 . 1 . . . . 19 LEU HD2 . 10290 1 137 . 1 1 19 19 LEU HD22 H 1 0.839 0.030 . 1 . . . . 19 LEU HD2 . 10290 1 138 . 1 1 19 19 LEU HD23 H 1 0.839 0.030 . 1 . . . . 19 LEU HD2 . 10290 1 139 . 1 1 19 19 LEU HG H 1 1.626 0.030 . 1 . . . . 19 LEU HG . 10290 1 140 . 1 1 19 19 LEU C C 13 178.761 0.300 . 1 . . . . 19 LEU C . 10290 1 141 . 1 1 19 19 LEU CA C 13 57.837 0.300 . 1 . . . . 19 LEU CA . 10290 1 142 . 1 1 19 19 LEU CB C 13 41.883 0.300 . 1 . . . . 19 LEU CB . 10290 1 143 . 1 1 19 19 LEU CD1 C 13 24.873 0.300 . 2 . . . . 19 LEU CD1 . 10290 1 144 . 1 1 19 19 LEU CD2 C 13 23.851 0.300 . 2 . . . . 19 LEU CD2 . 10290 1 145 . 1 1 19 19 LEU CG C 13 26.882 0.300 . 1 . . . . 19 LEU CG . 10290 1 146 . 1 1 19 19 LEU N N 15 117.368 0.300 . 1 . . . . 19 LEU N . 10290 1 147 . 1 1 20 20 ALA H H 1 7.918 0.030 . 1 . . . . 20 ALA H . 10290 1 148 . 1 1 20 20 ALA HA H 1 4.019 0.030 . 1 . . . . 20 ALA HA . 10290 1 149 . 1 1 20 20 ALA HB1 H 1 1.394 0.030 . 1 . . . . 20 ALA HB . 10290 1 150 . 1 1 20 20 ALA HB2 H 1 1.394 0.030 . 1 . . . . 20 ALA HB . 10290 1 151 . 1 1 20 20 ALA HB3 H 1 1.394 0.030 . 1 . . . . 20 ALA HB . 10290 1 152 . 1 1 20 20 ALA C C 13 180.256 0.300 . 1 . . . . 20 ALA C . 10290 1 153 . 1 1 20 20 ALA CA C 13 54.944 0.300 . 1 . . . . 20 ALA CA . 10290 1 154 . 1 1 20 20 ALA CB C 13 17.731 0.300 . 1 . . . . 20 ALA CB . 10290 1 155 . 1 1 20 20 ALA N N 15 120.010 0.300 . 1 . . . . 20 ALA N . 10290 1 156 . 1 1 21 21 ALA H H 1 7.313 0.030 . 1 . . . . 21 ALA H . 10290 1 157 . 1 1 21 21 ALA HA H 1 3.945 0.030 . 1 . . . . 21 ALA HA . 10290 1 158 . 1 1 21 21 ALA HB1 H 1 1.276 0.030 . 1 . . . . 21 ALA HB . 10290 1 159 . 1 1 21 21 ALA HB2 H 1 1.276 0.030 . 1 . . . . 21 ALA HB . 10290 1 160 . 1 1 21 21 ALA HB3 H 1 1.276 0.030 . 1 . . . . 21 ALA HB . 10290 1 161 . 1 1 21 21 ALA C C 13 181.088 0.300 . 1 . . . . 21 ALA C . 10290 1 162 . 1 1 21 21 ALA CA C 13 54.749 0.300 . 1 . . . . 21 ALA CA . 10290 1 163 . 1 1 21 21 ALA CB C 13 19.723 0.300 . 1 . . . . 21 ALA CB . 10290 1 164 . 1 1 21 21 ALA N N 15 120.493 0.300 . 1 . . . . 21 ALA N . 10290 1 165 . 1 1 22 22 LEU H H 1 8.049 0.030 . 1 . . . . 22 LEU H . 10290 1 166 . 1 1 22 22 LEU HA H 1 3.507 0.030 . 1 . . . . 22 LEU HA . 10290 1 167 . 1 1 22 22 LEU HB2 H 1 -0.856 0.030 . 2 . . . . 22 LEU HB2 . 10290 1 168 . 1 1 22 22 LEU HB3 H 1 0.578 0.030 . 2 . . . . 22 LEU HB3 . 10290 1 169 . 1 1 22 22 LEU HD11 H 1 0.500 0.030 . 1 . . . . 22 LEU HD1 . 10290 1 170 . 1 1 22 22 LEU HD12 H 1 0.500 0.030 . 1 . . . . 22 LEU HD1 . 10290 1 171 . 1 1 22 22 LEU HD13 H 1 0.500 0.030 . 1 . . . . 22 LEU HD1 . 10290 1 172 . 1 1 22 22 LEU HD21 H 1 -0.501 0.030 . 1 . . . . 22 LEU HD2 . 10290 1 173 . 1 1 22 22 LEU HD22 H 1 -0.501 0.030 . 1 . . . . 22 LEU HD2 . 10290 1 174 . 1 1 22 22 LEU HD23 H 1 -0.501 0.030 . 1 . . . . 22 LEU HD2 . 10290 1 175 . 1 1 22 22 LEU HG H 1 1.204 0.030 . 1 . . . . 22 LEU HG . 10290 1 176 . 1 1 22 22 LEU C C 13 177.768 0.300 . 1 . . . . 22 LEU C . 10290 1 177 . 1 1 22 22 LEU CA C 13 58.418 0.300 . 1 . . . . 22 LEU CA . 10290 1 178 . 1 1 22 22 LEU CB C 13 38.280 0.300 . 1 . . . . 22 LEU CB . 10290 1 179 . 1 1 22 22 LEU CD1 C 13 23.004 0.300 . 2 . . . . 22 LEU CD1 . 10290 1 180 . 1 1 22 22 LEU CD2 C 13 23.604 0.300 . 2 . . . . 22 LEU CD2 . 10290 1 181 . 1 1 22 22 LEU CG C 13 25.791 0.300 . 1 . . . . 22 LEU CG . 10290 1 182 . 1 1 22 22 LEU N N 15 121.618 0.300 . 1 . . . . 22 LEU N . 10290 1 183 . 1 1 23 23 GLN H H 1 8.047 0.030 . 1 . . . . 23 GLN H . 10290 1 184 . 1 1 23 23 GLN HA H 1 4.042 0.030 . 1 . . . . 23 GLN HA . 10290 1 185 . 1 1 23 23 GLN HB2 H 1 2.245 0.030 . 2 . . . . 23 GLN HB2 . 10290 1 186 . 1 1 23 23 GLN HB3 H 1 2.050 0.030 . 2 . . . . 23 GLN HB3 . 10290 1 187 . 1 1 23 23 GLN HE21 H 1 7.297 0.030 . 2 . . . . 23 GLN HE21 . 10290 1 188 . 1 1 23 23 GLN HE22 H 1 6.875 0.030 . 2 . . . . 23 GLN HE22 . 10290 1 189 . 1 1 23 23 GLN HG2 H 1 2.533 0.030 . 2 . . . . 23 GLN HG2 . 10290 1 190 . 1 1 23 23 GLN HG3 H 1 2.470 0.030 . 2 . . . . 23 GLN HG3 . 10290 1 191 . 1 1 23 23 GLN C C 13 178.945 0.300 . 1 . . . . 23 GLN C . 10290 1 192 . 1 1 23 23 GLN CA C 13 59.172 0.300 . 1 . . . . 23 GLN CA . 10290 1 193 . 1 1 23 23 GLN CB C 13 28.225 0.300 . 1 . . . . 23 GLN CB . 10290 1 194 . 1 1 23 23 GLN CG C 13 34.051 0.300 . 1 . . . . 23 GLN CG . 10290 1 195 . 1 1 23 23 GLN N N 15 117.012 0.300 . 1 . . . . 23 GLN N . 10290 1 196 . 1 1 23 23 GLN NE2 N 15 110.510 0.300 . 1 . . . . 23 GLN NE2 . 10290 1 197 . 1 1 24 24 ARG H H 1 7.956 0.030 . 1 . . . . 24 ARG H . 10290 1 198 . 1 1 24 24 ARG HA H 1 4.098 0.030 . 1 . . . . 24 ARG HA . 10290 1 199 . 1 1 24 24 ARG HB2 H 1 1.943 0.030 . 2 . . . . 24 ARG HB2 . 10290 1 200 . 1 1 24 24 ARG HB3 H 1 1.856 0.030 . 2 . . . . 24 ARG HB3 . 10290 1 201 . 1 1 24 24 ARG HD2 H 1 3.269 0.030 . 2 . . . . 24 ARG HD2 . 10290 1 202 . 1 1 24 24 ARG HD3 H 1 3.205 0.030 . 2 . . . . 24 ARG HD3 . 10290 1 203 . 1 1 24 24 ARG HG2 H 1 1.821 0.030 . 2 . . . . 24 ARG HG2 . 10290 1 204 . 1 1 24 24 ARG HG3 H 1 1.627 0.030 . 2 . . . . 24 ARG HG3 . 10290 1 205 . 1 1 24 24 ARG C C 13 179.440 0.300 . 1 . . . . 24 ARG C . 10290 1 206 . 1 1 24 24 ARG CA C 13 59.443 0.300 . 1 . . . . 24 ARG CA . 10290 1 207 . 1 1 24 24 ARG CB C 13 30.290 0.300 . 1 . . . . 24 ARG CB . 10290 1 208 . 1 1 24 24 ARG CD C 13 43.549 0.300 . 1 . . . . 24 ARG CD . 10290 1 209 . 1 1 24 24 ARG CG C 13 27.926 0.300 . 1 . . . . 24 ARG CG . 10290 1 210 . 1 1 24 24 ARG N N 15 118.511 0.300 . 1 . . . . 24 ARG N . 10290 1 211 . 1 1 25 25 ARG H H 1 7.768 0.030 . 1 . . . . 25 ARG H . 10290 1 212 . 1 1 25 25 ARG HA H 1 4.380 0.030 . 1 . . . . 25 ARG HA . 10290 1 213 . 1 1 25 25 ARG HB2 H 1 2.219 0.030 . 2 . . . . 25 ARG HB2 . 10290 1 214 . 1 1 25 25 ARG HB3 H 1 2.092 0.030 . 2 . . . . 25 ARG HB3 . 10290 1 215 . 1 1 25 25 ARG HD2 H 1 3.352 0.030 . 2 . . . . 25 ARG HD2 . 10290 1 216 . 1 1 25 25 ARG HD3 H 1 3.541 0.030 . 2 . . . . 25 ARG HD3 . 10290 1 217 . 1 1 25 25 ARG HG2 H 1 1.846 0.030 . 2 . . . . 25 ARG HG2 . 10290 1 218 . 1 1 25 25 ARG HG3 H 1 1.784 0.030 . 2 . . . . 25 ARG HG3 . 10290 1 219 . 1 1 25 25 ARG C C 13 177.933 0.300 . 1 . . . . 25 ARG C . 10290 1 220 . 1 1 25 25 ARG CA C 13 56.993 0.300 . 1 . . . . 25 ARG CA . 10290 1 221 . 1 1 25 25 ARG CB C 13 28.118 0.300 . 1 . . . . 25 ARG CB . 10290 1 222 . 1 1 25 25 ARG CD C 13 40.901 0.300 . 1 . . . . 25 ARG CD . 10290 1 223 . 1 1 25 25 ARG CG C 13 27.172 0.300 . 1 . . . . 25 ARG CG . 10290 1 224 . 1 1 25 25 ARG N N 15 119.018 0.300 . 1 . . . . 25 ARG N . 10290 1 225 . 1 1 26 26 PHE H H 1 8.739 0.030 . 1 . . . . 26 PHE H . 10290 1 226 . 1 1 26 26 PHE HA H 1 4.680 0.030 . 1 . . . . 26 PHE HA . 10290 1 227 . 1 1 26 26 PHE HB2 H 1 3.148 0.030 . 2 . . . . 26 PHE HB2 . 10290 1 228 . 1 1 26 26 PHE HB3 H 1 3.067 0.030 . 2 . . . . 26 PHE HB3 . 10290 1 229 . 1 1 26 26 PHE HD1 H 1 6.953 0.030 . 1 . . . . 26 PHE HD1 . 10290 1 230 . 1 1 26 26 PHE HD2 H 1 6.953 0.030 . 1 . . . . 26 PHE HD2 . 10290 1 231 . 1 1 26 26 PHE HE1 H 1 7.206 0.030 . 1 . . . . 26 PHE HE1 . 10290 1 232 . 1 1 26 26 PHE HE2 H 1 7.206 0.030 . 1 . . . . 26 PHE HE2 . 10290 1 233 . 1 1 26 26 PHE HZ H 1 6.819 0.030 . 1 . . . . 26 PHE HZ . 10290 1 234 . 1 1 26 26 PHE C C 13 175.842 0.300 . 1 . . . . 26 PHE C . 10290 1 235 . 1 1 26 26 PHE CA C 13 60.339 0.300 . 1 . . . . 26 PHE CA . 10290 1 236 . 1 1 26 26 PHE CB C 13 39.477 0.300 . 1 . . . . 26 PHE CB . 10290 1 237 . 1 1 26 26 PHE CD1 C 13 132.495 0.300 . 1 . . . . 26 PHE CD1 . 10290 1 238 . 1 1 26 26 PHE CD2 C 13 132.495 0.300 . 1 . . . . 26 PHE CD2 . 10290 1 239 . 1 1 26 26 PHE CE1 C 13 131.088 0.300 . 1 . . . . 26 PHE CE1 . 10290 1 240 . 1 1 26 26 PHE CE2 C 13 131.088 0.300 . 1 . . . . 26 PHE CE2 . 10290 1 241 . 1 1 26 26 PHE CZ C 13 129.053 0.300 . 1 . . . . 26 PHE CZ . 10290 1 242 . 1 1 26 26 PHE N N 15 121.838 0.300 . 1 . . . . 26 PHE N . 10290 1 243 . 1 1 27 27 GLN H H 1 7.712 0.030 . 1 . . . . 27 GLN H . 10290 1 244 . 1 1 27 27 GLN HA H 1 3.979 0.030 . 1 . . . . 27 GLN HA . 10290 1 245 . 1 1 27 27 GLN HB2 H 1 2.250 0.030 . 1 . . . . 27 GLN HB2 . 10290 1 246 . 1 1 27 27 GLN HB3 H 1 2.250 0.030 . 1 . . . . 27 GLN HB3 . 10290 1 247 . 1 1 27 27 GLN HE21 H 1 7.524 0.030 . 2 . . . . 27 GLN HE21 . 10290 1 248 . 1 1 27 27 GLN HE22 H 1 6.919 0.030 . 2 . . . . 27 GLN HE22 . 10290 1 249 . 1 1 27 27 GLN HG2 H 1 2.690 0.030 . 2 . . . . 27 GLN HG2 . 10290 1 250 . 1 1 27 27 GLN HG3 H 1 2.573 0.030 . 2 . . . . 27 GLN HG3 . 10290 1 251 . 1 1 27 27 GLN C C 13 177.336 0.300 . 1 . . . . 27 GLN C . 10290 1 252 . 1 1 27 27 GLN CA C 13 57.877 0.300 . 1 . . . . 27 GLN CA . 10290 1 253 . 1 1 27 27 GLN CB C 13 28.809 0.300 . 1 . . . . 27 GLN CB . 10290 1 254 . 1 1 27 27 GLN CG C 13 34.431 0.300 . 1 . . . . 27 GLN CG . 10290 1 255 . 1 1 27 27 GLN N N 15 113.533 0.300 . 1 . . . . 27 GLN N . 10290 1 256 . 1 1 27 27 GLN NE2 N 15 111.796 0.300 . 1 . . . . 27 GLN NE2 . 10290 1 257 . 1 1 28 28 LYS H H 1 7.469 0.030 . 1 . . . . 28 LYS H . 10290 1 258 . 1 1 28 28 LYS HA H 1 4.316 0.030 . 1 . . . . 28 LYS HA . 10290 1 259 . 1 1 28 28 LYS HB2 H 1 2.049 0.030 . 1 . . . . 28 LYS HB2 . 10290 1 260 . 1 1 28 28 LYS HB3 H 1 2.049 0.030 . 1 . . . . 28 LYS HB3 . 10290 1 261 . 1 1 28 28 LYS HD2 H 1 1.713 0.030 . 1 . . . . 28 LYS HD2 . 10290 1 262 . 1 1 28 28 LYS HD3 H 1 1.713 0.030 . 1 . . . . 28 LYS HD3 . 10290 1 263 . 1 1 28 28 LYS HE2 H 1 3.023 0.030 . 1 . . . . 28 LYS HE2 . 10290 1 264 . 1 1 28 28 LYS HE3 H 1 3.023 0.030 . 1 . . . . 28 LYS HE3 . 10290 1 265 . 1 1 28 28 LYS HG2 H 1 1.630 0.030 . 2 . . . . 28 LYS HG2 . 10290 1 266 . 1 1 28 28 LYS HG3 H 1 1.499 0.030 . 2 . . . . 28 LYS HG3 . 10290 1 267 . 1 1 28 28 LYS C C 13 177.011 0.300 . 1 . . . . 28 LYS C . 10290 1 268 . 1 1 28 28 LYS CA C 13 57.805 0.300 . 1 . . . . 28 LYS CA . 10290 1 269 . 1 1 28 28 LYS CB C 13 33.639 0.300 . 1 . . . . 28 LYS CB . 10290 1 270 . 1 1 28 28 LYS CD C 13 29.157 0.300 . 1 . . . . 28 LYS CD . 10290 1 271 . 1 1 28 28 LYS CE C 13 42.177 0.300 . 1 . . . . 28 LYS CE . 10290 1 272 . 1 1 28 28 LYS CG C 13 24.993 0.300 . 1 . . . . 28 LYS CG . 10290 1 273 . 1 1 28 28 LYS N N 15 117.851 0.300 . 1 . . . . 28 LYS N . 10290 1 274 . 1 1 29 29 THR H H 1 8.373 0.030 . 1 . . . . 29 THR H . 10290 1 275 . 1 1 29 29 THR HA H 1 4.457 0.030 . 1 . . . . 29 THR HA . 10290 1 276 . 1 1 29 29 THR HB H 1 4.213 0.030 . 1 . . . . 29 THR HB . 10290 1 277 . 1 1 29 29 THR HG21 H 1 1.222 0.030 . 1 . . . . 29 THR HG2 . 10290 1 278 . 1 1 29 29 THR HG22 H 1 1.222 0.030 . 1 . . . . 29 THR HG2 . 10290 1 279 . 1 1 29 29 THR HG23 H 1 1.222 0.030 . 1 . . . . 29 THR HG2 . 10290 1 280 . 1 1 29 29 THR C C 13 171.650 0.300 . 1 . . . . 29 THR C . 10290 1 281 . 1 1 29 29 THR CA C 13 59.598 0.300 . 1 . . . . 29 THR CA . 10290 1 282 . 1 1 29 29 THR CB C 13 70.546 0.300 . 1 . . . . 29 THR CB . 10290 1 283 . 1 1 29 29 THR CG2 C 13 20.523 0.300 . 1 . . . . 29 THR CG2 . 10290 1 284 . 1 1 29 29 THR N N 15 113.944 0.300 . 1 . . . . 29 THR N . 10290 1 285 . 1 1 30 30 GLN H H 1 8.210 0.030 . 1 . . . . 30 GLN H . 10290 1 286 . 1 1 30 30 GLN HA H 1 3.863 0.030 . 1 . . . . 30 GLN HA . 10290 1 287 . 1 1 30 30 GLN HB2 H 1 1.690 0.030 . 1 . . . . 30 GLN HB2 . 10290 1 288 . 1 1 30 30 GLN HB3 H 1 1.690 0.030 . 1 . . . . 30 GLN HB3 . 10290 1 289 . 1 1 30 30 GLN HE21 H 1 7.318 0.030 . 2 . . . . 30 GLN HE21 . 10290 1 290 . 1 1 30 30 GLN HE22 H 1 6.503 0.030 . 2 . . . . 30 GLN HE22 . 10290 1 291 . 1 1 30 30 GLN HG2 H 1 1.733 0.030 . 2 . . . . 30 GLN HG2 . 10290 1 292 . 1 1 30 30 GLN HG3 H 1 1.369 0.030 . 2 . . . . 30 GLN HG3 . 10290 1 293 . 1 1 30 30 GLN C C 13 174.111 0.300 . 1 . . . . 30 GLN C . 10290 1 294 . 1 1 30 30 GLN CA C 13 56.868 0.300 . 1 . . . . 30 GLN CA . 10290 1 295 . 1 1 30 30 GLN CB C 13 27.841 0.300 . 1 . . . . 30 GLN CB . 10290 1 296 . 1 1 30 30 GLN CG C 13 34.291 0.300 . 1 . . . . 30 GLN CG . 10290 1 297 . 1 1 30 30 GLN N N 15 121.138 0.300 . 1 . . . . 30 GLN N . 10290 1 298 . 1 1 30 30 GLN NE2 N 15 110.778 0.300 . 1 . . . . 30 GLN NE2 . 10290 1 299 . 1 1 31 31 TYR H H 1 7.532 0.030 . 1 . . . . 31 TYR H . 10290 1 300 . 1 1 31 31 TYR HA H 1 4.700 0.030 . 1 . . . . 31 TYR HA . 10290 1 301 . 1 1 31 31 TYR HB2 H 1 2.895 0.030 . 2 . . . . 31 TYR HB2 . 10290 1 302 . 1 1 31 31 TYR HB3 H 1 2.712 0.030 . 2 . . . . 31 TYR HB3 . 10290 1 303 . 1 1 31 31 TYR HD1 H 1 7.110 0.030 . 1 . . . . 31 TYR HD1 . 10290 1 304 . 1 1 31 31 TYR HD2 H 1 7.110 0.030 . 1 . . . . 31 TYR HD2 . 10290 1 305 . 1 1 31 31 TYR HE1 H 1 6.800 0.030 . 1 . . . . 31 TYR HE1 . 10290 1 306 . 1 1 31 31 TYR HE2 H 1 6.800 0.030 . 1 . . . . 31 TYR HE2 . 10290 1 307 . 1 1 31 31 TYR C C 13 174.485 0.300 . 1 . . . . 31 TYR C . 10290 1 308 . 1 1 31 31 TYR CA C 13 56.954 0.300 . 1 . . . . 31 TYR CA . 10290 1 309 . 1 1 31 31 TYR CB C 13 41.374 0.300 . 1 . . . . 31 TYR CB . 10290 1 310 . 1 1 31 31 TYR CD1 C 13 133.447 0.300 . 1 . . . . 31 TYR CD1 . 10290 1 311 . 1 1 31 31 TYR CD2 C 13 133.447 0.300 . 1 . . . . 31 TYR CD2 . 10290 1 312 . 1 1 31 31 TYR CE1 C 13 117.997 0.300 . 1 . . . . 31 TYR CE1 . 10290 1 313 . 1 1 31 31 TYR CE2 C 13 117.997 0.300 . 1 . . . . 31 TYR CE2 . 10290 1 314 . 1 1 31 31 TYR N N 15 114.987 0.300 . 1 . . . . 31 TYR N . 10290 1 315 . 1 1 32 32 LEU H H 1 8.382 0.030 . 1 . . . . 32 LEU H . 10290 1 316 . 1 1 32 32 LEU HA H 1 4.486 0.030 . 1 . . . . 32 LEU HA . 10290 1 317 . 1 1 32 32 LEU HB2 H 1 1.103 0.030 . 2 . . . . 32 LEU HB2 . 10290 1 318 . 1 1 32 32 LEU HB3 H 1 1.345 0.030 . 2 . . . . 32 LEU HB3 . 10290 1 319 . 1 1 32 32 LEU HD11 H 1 0.180 0.030 . 1 . . . . 32 LEU HD1 . 10290 1 320 . 1 1 32 32 LEU HD12 H 1 0.180 0.030 . 1 . . . . 32 LEU HD1 . 10290 1 321 . 1 1 32 32 LEU HD13 H 1 0.180 0.030 . 1 . . . . 32 LEU HD1 . 10290 1 322 . 1 1 32 32 LEU HD21 H 1 0.501 0.030 . 1 . . . . 32 LEU HD2 . 10290 1 323 . 1 1 32 32 LEU HD22 H 1 0.501 0.030 . 1 . . . . 32 LEU HD2 . 10290 1 324 . 1 1 32 32 LEU HD23 H 1 0.501 0.030 . 1 . . . . 32 LEU HD2 . 10290 1 325 . 1 1 32 32 LEU HG H 1 0.741 0.030 . 1 . . . . 32 LEU HG . 10290 1 326 . 1 1 32 32 LEU C C 13 176.526 0.300 . 1 . . . . 32 LEU C . 10290 1 327 . 1 1 32 32 LEU CA C 13 53.216 0.300 . 1 . . . . 32 LEU CA . 10290 1 328 . 1 1 32 32 LEU CB C 13 44.134 0.300 . 1 . . . . 32 LEU CB . 10290 1 329 . 1 1 32 32 LEU CD1 C 13 26.544 0.300 . 2 . . . . 32 LEU CD1 . 10290 1 330 . 1 1 32 32 LEU CD2 C 13 23.346 0.300 . 2 . . . . 32 LEU CD2 . 10290 1 331 . 1 1 32 32 LEU CG C 13 26.112 0.300 . 1 . . . . 32 LEU CG . 10290 1 332 . 1 1 32 32 LEU N N 15 123.429 0.300 . 1 . . . . 32 LEU N . 10290 1 333 . 1 1 33 33 ALA H H 1 8.805 0.030 . 1 . . . . 33 ALA H . 10290 1 334 . 1 1 33 33 ALA HA H 1 4.469 0.030 . 1 . . . . 33 ALA HA . 10290 1 335 . 1 1 33 33 ALA HB1 H 1 1.559 0.030 . 1 . . . . 33 ALA HB . 10290 1 336 . 1 1 33 33 ALA HB2 H 1 1.559 0.030 . 1 . . . . 33 ALA HB . 10290 1 337 . 1 1 33 33 ALA HB3 H 1 1.559 0.030 . 1 . . . . 33 ALA HB . 10290 1 338 . 1 1 33 33 ALA C C 13 178.230 0.300 . 1 . . . . 33 ALA C . 10290 1 339 . 1 1 33 33 ALA CA C 13 51.183 0.300 . 1 . . . . 33 ALA CA . 10290 1 340 . 1 1 33 33 ALA CB C 13 19.852 0.300 . 1 . . . . 33 ALA CB . 10290 1 341 . 1 1 33 33 ALA N N 15 126.131 0.300 . 1 . . . . 33 ALA N . 10290 1 342 . 1 1 34 34 LEU H H 1 8.898 0.030 . 1 . . . . 34 LEU H . 10290 1 343 . 1 1 34 34 LEU HA H 1 4.088 0.030 . 1 . . . . 34 LEU HA . 10290 1 344 . 1 1 34 34 LEU HB2 H 1 1.795 0.030 . 1 . . . . 34 LEU HB2 . 10290 1 345 . 1 1 34 34 LEU HB3 H 1 1.795 0.030 . 1 . . . . 34 LEU HB3 . 10290 1 346 . 1 1 34 34 LEU HD11 H 1 0.976 0.030 . 1 . . . . 34 LEU HD1 . 10290 1 347 . 1 1 34 34 LEU HD12 H 1 0.976 0.030 . 1 . . . . 34 LEU HD1 . 10290 1 348 . 1 1 34 34 LEU HD13 H 1 0.976 0.030 . 1 . . . . 34 LEU HD1 . 10290 1 349 . 1 1 34 34 LEU HD21 H 1 0.926 0.030 . 1 . . . . 34 LEU HD2 . 10290 1 350 . 1 1 34 34 LEU HD22 H 1 0.926 0.030 . 1 . . . . 34 LEU HD2 . 10290 1 351 . 1 1 34 34 LEU HD23 H 1 0.926 0.030 . 1 . . . . 34 LEU HD2 . 10290 1 352 . 1 1 34 34 LEU HG H 1 1.707 0.030 . 1 . . . . 34 LEU HG . 10290 1 353 . 1 1 34 34 LEU C C 13 178.245 0.300 . 1 . . . . 34 LEU C . 10290 1 354 . 1 1 34 34 LEU CA C 13 60.712 0.300 . 1 . . . . 34 LEU CA . 10290 1 355 . 1 1 34 34 LEU CB C 13 39.135 0.300 . 1 . . . . 34 LEU CB . 10290 1 356 . 1 1 34 34 LEU CD1 C 13 24.424 0.300 . 2 . . . . 34 LEU CD1 . 10290 1 357 . 1 1 34 34 LEU CD2 C 13 24.227 0.300 . 2 . . . . 34 LEU CD2 . 10290 1 358 . 1 1 34 34 LEU CG C 13 27.642 0.300 . 1 . . . . 34 LEU CG . 10290 1 359 . 1 1 34 34 LEU N N 15 122.061 0.300 . 1 . . . . 34 LEU N . 10290 1 360 . 1 1 35 35 PRO HA H 1 4.378 0.030 . 1 . . . . 35 PRO HA . 10290 1 361 . 1 1 35 35 PRO HB2 H 1 1.895 0.030 . 2 . . . . 35 PRO HB2 . 10290 1 362 . 1 1 35 35 PRO HB3 H 1 2.342 0.030 . 2 . . . . 35 PRO HB3 . 10290 1 363 . 1 1 35 35 PRO HD2 H 1 3.840 0.030 . 2 . . . . 35 PRO HD2 . 10290 1 364 . 1 1 35 35 PRO HD3 H 1 3.691 0.030 . 2 . . . . 35 PRO HD3 . 10290 1 365 . 1 1 35 35 PRO HG2 H 1 2.000 0.030 . 2 . . . . 35 PRO HG2 . 10290 1 366 . 1 1 35 35 PRO HG3 H 1 2.100 0.030 . 2 . . . . 35 PRO HG3 . 10290 1 367 . 1 1 35 35 PRO C C 13 179.888 0.300 . 1 . . . . 35 PRO C . 10290 1 368 . 1 1 35 35 PRO CA C 13 65.894 0.300 . 1 . . . . 35 PRO CA . 10290 1 369 . 1 1 35 35 PRO CB C 13 30.618 0.300 . 1 . . . . 35 PRO CB . 10290 1 370 . 1 1 35 35 PRO CD C 13 50.059 0.300 . 1 . . . . 35 PRO CD . 10290 1 371 . 1 1 35 35 PRO CG C 13 28.482 0.300 . 1 . . . . 35 PRO CG . 10290 1 372 . 1 1 36 36 GLU H H 1 6.984 0.030 . 1 . . . . 36 GLU H . 10290 1 373 . 1 1 36 36 GLU HA H 1 4.192 0.030 . 1 . . . . 36 GLU HA . 10290 1 374 . 1 1 36 36 GLU HB2 H 1 1.957 0.030 . 2 . . . . 36 GLU HB2 . 10290 1 375 . 1 1 36 36 GLU HB3 H 1 2.292 0.030 . 2 . . . . 36 GLU HB3 . 10290 1 376 . 1 1 36 36 GLU HG2 H 1 2.296 0.030 . 1 . . . . 36 GLU HG2 . 10290 1 377 . 1 1 36 36 GLU HG3 H 1 2.296 0.030 . 1 . . . . 36 GLU HG3 . 10290 1 378 . 1 1 36 36 GLU C C 13 179.230 0.300 . 1 . . . . 36 GLU C . 10290 1 379 . 1 1 36 36 GLU CA C 13 58.631 0.300 . 1 . . . . 36 GLU CA . 10290 1 380 . 1 1 36 36 GLU CB C 13 30.290 0.300 . 1 . . . . 36 GLU CB . 10290 1 381 . 1 1 36 36 GLU CG C 13 36.956 0.300 . 1 . . . . 36 GLU CG . 10290 1 382 . 1 1 36 36 GLU N N 15 116.910 0.300 . 1 . . . . 36 GLU N . 10290 1 383 . 1 1 37 37 ARG H H 1 8.489 0.030 . 1 . . . . 37 ARG H . 10290 1 384 . 1 1 37 37 ARG HA H 1 3.741 0.030 . 1 . . . . 37 ARG HA . 10290 1 385 . 1 1 37 37 ARG HB2 H 1 1.901 0.030 . 1 . . . . 37 ARG HB2 . 10290 1 386 . 1 1 37 37 ARG HB3 H 1 1.901 0.030 . 1 . . . . 37 ARG HB3 . 10290 1 387 . 1 1 37 37 ARG HD2 H 1 3.491 0.030 . 2 . . . . 37 ARG HD2 . 10290 1 388 . 1 1 37 37 ARG HD3 H 1 3.204 0.030 . 2 . . . . 37 ARG HD3 . 10290 1 389 . 1 1 37 37 ARG HG2 H 1 1.586 0.030 . 2 . . . . 37 ARG HG2 . 10290 1 390 . 1 1 37 37 ARG HG3 H 1 1.365 0.030 . 2 . . . . 37 ARG HG3 . 10290 1 391 . 1 1 37 37 ARG C C 13 177.835 0.300 . 1 . . . . 37 ARG C . 10290 1 392 . 1 1 37 37 ARG CA C 13 60.076 0.300 . 1 . . . . 37 ARG CA . 10290 1 393 . 1 1 37 37 ARG CB C 13 30.775 0.300 . 1 . . . . 37 ARG CB . 10290 1 394 . 1 1 37 37 ARG CD C 13 44.189 0.300 . 1 . . . . 37 ARG CD . 10290 1 395 . 1 1 37 37 ARG CG C 13 27.592 0.300 . 1 . . . . 37 ARG CG . 10290 1 396 . 1 1 37 37 ARG N N 15 121.545 0.300 . 1 . . . . 37 ARG N . 10290 1 397 . 1 1 38 38 ALA H H 1 8.308 0.030 . 1 . . . . 38 ALA H . 10290 1 398 . 1 1 38 38 ALA HA H 1 3.941 0.030 . 1 . . . . 38 ALA HA . 10290 1 399 . 1 1 38 38 ALA HB1 H 1 1.504 0.030 . 1 . . . . 38 ALA HB . 10290 1 400 . 1 1 38 38 ALA HB2 H 1 1.504 0.030 . 1 . . . . 38 ALA HB . 10290 1 401 . 1 1 38 38 ALA HB3 H 1 1.504 0.030 . 1 . . . . 38 ALA HB . 10290 1 402 . 1 1 38 38 ALA C C 13 180.311 0.300 . 1 . . . . 38 ALA C . 10290 1 403 . 1 1 38 38 ALA CA C 13 55.446 0.300 . 1 . . . . 38 ALA CA . 10290 1 404 . 1 1 38 38 ALA CB C 13 18.082 0.300 . 1 . . . . 38 ALA CB . 10290 1 405 . 1 1 38 38 ALA N N 15 120.571 0.300 . 1 . . . . 38 ALA N . 10290 1 406 . 1 1 39 39 GLU H H 1 7.819 0.030 . 1 . . . . 39 GLU H . 10290 1 407 . 1 1 39 39 GLU HA H 1 4.125 0.030 . 1 . . . . 39 GLU HA . 10290 1 408 . 1 1 39 39 GLU HB2 H 1 2.144 0.030 . 1 . . . . 39 GLU HB2 . 10290 1 409 . 1 1 39 39 GLU HB3 H 1 2.144 0.030 . 1 . . . . 39 GLU HB3 . 10290 1 410 . 1 1 39 39 GLU HG2 H 1 2.429 0.030 . 2 . . . . 39 GLU HG2 . 10290 1 411 . 1 1 39 39 GLU HG3 H 1 2.239 0.030 . 2 . . . . 39 GLU HG3 . 10290 1 412 . 1 1 39 39 GLU C C 13 178.851 0.300 . 1 . . . . 39 GLU C . 10290 1 413 . 1 1 39 39 GLU CA C 13 59.257 0.300 . 1 . . . . 39 GLU CA . 10290 1 414 . 1 1 39 39 GLU CB C 13 29.806 0.300 . 1 . . . . 39 GLU CB . 10290 1 415 . 1 1 39 39 GLU CG C 13 36.078 0.300 . 1 . . . . 39 GLU CG . 10290 1 416 . 1 1 39 39 GLU N N 15 119.614 0.300 . 1 . . . . 39 GLU N . 10290 1 417 . 1 1 40 40 LEU H H 1 8.251 0.030 . 1 . . . . 40 LEU H . 10290 1 418 . 1 1 40 40 LEU HA H 1 4.149 0.030 . 1 . . . . 40 LEU HA . 10290 1 419 . 1 1 40 40 LEU HB2 H 1 1.756 0.030 . 2 . . . . 40 LEU HB2 . 10290 1 420 . 1 1 40 40 LEU HB3 H 1 1.607 0.030 . 2 . . . . 40 LEU HB3 . 10290 1 421 . 1 1 40 40 LEU HD11 H 1 0.873 0.030 . 1 . . . . 40 LEU HD1 . 10290 1 422 . 1 1 40 40 LEU HD12 H 1 0.873 0.030 . 1 . . . . 40 LEU HD1 . 10290 1 423 . 1 1 40 40 LEU HD13 H 1 0.873 0.030 . 1 . . . . 40 LEU HD1 . 10290 1 424 . 1 1 40 40 LEU HD21 H 1 0.887 0.030 . 1 . . . . 40 LEU HD2 . 10290 1 425 . 1 1 40 40 LEU HD22 H 1 0.887 0.030 . 1 . . . . 40 LEU HD2 . 10290 1 426 . 1 1 40 40 LEU HD23 H 1 0.887 0.030 . 1 . . . . 40 LEU HD2 . 10290 1 427 . 1 1 40 40 LEU HG H 1 1.461 0.030 . 1 . . . . 40 LEU HG . 10290 1 428 . 1 1 40 40 LEU C C 13 178.939 0.300 . 1 . . . . 40 LEU C . 10290 1 429 . 1 1 40 40 LEU CA C 13 57.625 0.300 . 1 . . . . 40 LEU CA . 10290 1 430 . 1 1 40 40 LEU CB C 13 42.239 0.300 . 1 . . . . 40 LEU CB . 10290 1 431 . 1 1 40 40 LEU CD1 C 13 26.997 0.300 . 2 . . . . 40 LEU CD1 . 10290 1 432 . 1 1 40 40 LEU CD2 C 13 23.460 0.300 . 2 . . . . 40 LEU CD2 . 10290 1 433 . 1 1 40 40 LEU CG C 13 27.015 0.300 . 1 . . . . 40 LEU CG . 10290 1 434 . 1 1 40 40 LEU N N 15 121.912 0.300 . 1 . . . . 40 LEU N . 10290 1 435 . 1 1 41 41 ALA H H 1 8.449 0.030 . 1 . . . . 41 ALA H . 10290 1 436 . 1 1 41 41 ALA HA H 1 3.629 0.030 . 1 . . . . 41 ALA HA . 10290 1 437 . 1 1 41 41 ALA HB1 H 1 1.352 0.030 . 1 . . . . 41 ALA HB . 10290 1 438 . 1 1 41 41 ALA HB2 H 1 1.352 0.030 . 1 . . . . 41 ALA HB . 10290 1 439 . 1 1 41 41 ALA HB3 H 1 1.352 0.030 . 1 . . . . 41 ALA HB . 10290 1 440 . 1 1 41 41 ALA C C 13 179.199 0.300 . 1 . . . . 41 ALA C . 10290 1 441 . 1 1 41 41 ALA CA C 13 56.202 0.300 . 1 . . . . 41 ALA CA . 10290 1 442 . 1 1 41 41 ALA CB C 13 17.819 0.300 . 1 . . . . 41 ALA CB . 10290 1 443 . 1 1 41 41 ALA N N 15 120.020 0.300 . 1 . . . . 41 ALA N . 10290 1 444 . 1 1 42 42 ALA H H 1 7.800 0.030 . 1 . . . . 42 ALA H . 10290 1 445 . 1 1 42 42 ALA HA H 1 4.240 0.030 . 1 . . . . 42 ALA HA . 10290 1 446 . 1 1 42 42 ALA HB1 H 1 1.567 0.030 . 1 . . . . 42 ALA HB . 10290 1 447 . 1 1 42 42 ALA HB2 H 1 1.567 0.030 . 1 . . . . 42 ALA HB . 10290 1 448 . 1 1 42 42 ALA HB3 H 1 1.567 0.030 . 1 . . . . 42 ALA HB . 10290 1 449 . 1 1 42 42 ALA C C 13 181.146 0.300 . 1 . . . . 42 ALA C . 10290 1 450 . 1 1 42 42 ALA CA C 13 54.991 0.300 . 1 . . . . 42 ALA CA . 10290 1 451 . 1 1 42 42 ALA CB C 13 17.983 0.300 . 1 . . . . 42 ALA CB . 10290 1 452 . 1 1 42 42 ALA N N 15 118.414 0.300 . 1 . . . . 42 ALA N . 10290 1 453 . 1 1 43 43 SER H H 1 8.172 0.030 . 1 . . . . 43 SER H . 10290 1 454 . 1 1 43 43 SER HA H 1 4.314 0.030 . 1 . . . . 43 SER HA . 10290 1 455 . 1 1 43 43 SER HB2 H 1 4.069 0.030 . 1 . . . . 43 SER HB2 . 10290 1 456 . 1 1 43 43 SER HB3 H 1 4.069 0.030 . 1 . . . . 43 SER HB3 . 10290 1 457 . 1 1 43 43 SER C C 13 175.817 0.300 . 1 . . . . 43 SER C . 10290 1 458 . 1 1 43 43 SER CA C 13 61.138 0.300 . 1 . . . . 43 SER CA . 10290 1 459 . 1 1 43 43 SER CB C 13 63.341 0.300 . 1 . . . . 43 SER CB . 10290 1 460 . 1 1 43 43 SER N N 15 113.508 0.300 . 1 . . . . 43 SER N . 10290 1 461 . 1 1 44 44 LEU H H 1 7.701 0.030 . 1 . . . . 44 LEU H . 10290 1 462 . 1 1 44 44 LEU HA H 1 4.662 0.030 . 1 . . . . 44 LEU HA . 10290 1 463 . 1 1 44 44 LEU HB2 H 1 1.717 0.030 . 2 . . . . 44 LEU HB2 . 10290 1 464 . 1 1 44 44 LEU HB3 H 1 1.515 0.030 . 2 . . . . 44 LEU HB3 . 10290 1 465 . 1 1 44 44 LEU HD11 H 1 0.685 0.030 . 1 . . . . 44 LEU HD1 . 10290 1 466 . 1 1 44 44 LEU HD12 H 1 0.685 0.030 . 1 . . . . 44 LEU HD1 . 10290 1 467 . 1 1 44 44 LEU HD13 H 1 0.685 0.030 . 1 . . . . 44 LEU HD1 . 10290 1 468 . 1 1 44 44 LEU HD21 H 1 0.746 0.030 . 1 . . . . 44 LEU HD2 . 10290 1 469 . 1 1 44 44 LEU HD22 H 1 0.746 0.030 . 1 . . . . 44 LEU HD2 . 10290 1 470 . 1 1 44 44 LEU HD23 H 1 0.746 0.030 . 1 . . . . 44 LEU HD2 . 10290 1 471 . 1 1 44 44 LEU HG H 1 2.005 0.030 . 1 . . . . 44 LEU HG . 10290 1 472 . 1 1 44 44 LEU C C 13 177.588 0.300 . 1 . . . . 44 LEU C . 10290 1 473 . 1 1 44 44 LEU CA C 13 54.556 0.300 . 1 . . . . 44 LEU CA . 10290 1 474 . 1 1 44 44 LEU CB C 13 44.134 0.300 . 1 . . . . 44 LEU CB . 10290 1 475 . 1 1 44 44 LEU CD1 C 13 26.114 0.300 . 2 . . . . 44 LEU CD1 . 10290 1 476 . 1 1 44 44 LEU CD2 C 13 22.510 0.300 . 2 . . . . 44 LEU CD2 . 10290 1 477 . 1 1 44 44 LEU CG C 13 26.273 0.300 . 1 . . . . 44 LEU CG . 10290 1 478 . 1 1 44 44 LEU N N 15 117.384 0.300 . 1 . . . . 44 LEU N . 10290 1 479 . 1 1 45 45 GLY H H 1 7.971 0.030 . 1 . . . . 45 GLY H . 10290 1 480 . 1 1 45 45 GLY HA2 H 1 4.130 0.030 . 2 . . . . 45 GLY HA2 . 10290 1 481 . 1 1 45 45 GLY HA3 H 1 3.991 0.030 . 2 . . . . 45 GLY HA3 . 10290 1 482 . 1 1 45 45 GLY C C 13 174.538 0.300 . 1 . . . . 45 GLY C . 10290 1 483 . 1 1 45 45 GLY CA C 13 46.623 0.300 . 1 . . . . 45 GLY CA . 10290 1 484 . 1 1 45 45 GLY N N 15 110.156 0.300 . 1 . . . . 45 GLY N . 10290 1 485 . 1 1 46 46 LEU H H 1 8.012 0.030 . 1 . . . . 46 LEU H . 10290 1 486 . 1 1 46 46 LEU HA H 1 4.914 0.030 . 1 . . . . 46 LEU HA . 10290 1 487 . 1 1 46 46 LEU HB2 H 1 1.324 0.030 . 2 . . . . 46 LEU HB2 . 10290 1 488 . 1 1 46 46 LEU HB3 H 1 1.777 0.030 . 2 . . . . 46 LEU HB3 . 10290 1 489 . 1 1 46 46 LEU HD11 H 1 0.692 0.030 . 1 . . . . 46 LEU HD1 . 10290 1 490 . 1 1 46 46 LEU HD12 H 1 0.692 0.030 . 1 . . . . 46 LEU HD1 . 10290 1 491 . 1 1 46 46 LEU HD13 H 1 0.692 0.030 . 1 . . . . 46 LEU HD1 . 10290 1 492 . 1 1 46 46 LEU HD21 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 10290 1 493 . 1 1 46 46 LEU HD22 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 10290 1 494 . 1 1 46 46 LEU HD23 H 1 0.835 0.030 . 1 . . . . 46 LEU HD2 . 10290 1 495 . 1 1 46 46 LEU HG H 1 1.504 0.030 . 1 . . . . 46 LEU HG . 10290 1 496 . 1 1 46 46 LEU C C 13 176.613 0.300 . 1 . . . . 46 LEU C . 10290 1 497 . 1 1 46 46 LEU CA C 13 52.652 0.300 . 1 . . . . 46 LEU CA . 10290 1 498 . 1 1 46 46 LEU CB C 13 46.882 0.300 . 1 . . . . 46 LEU CB . 10290 1 499 . 1 1 46 46 LEU CD1 C 13 27.058 0.300 . 2 . . . . 46 LEU CD1 . 10290 1 500 . 1 1 46 46 LEU CD2 C 13 23.426 0.300 . 2 . . . . 46 LEU CD2 . 10290 1 501 . 1 1 46 46 LEU CG C 13 27.001 0.300 . 1 . . . . 46 LEU CG . 10290 1 502 . 1 1 46 46 LEU N N 15 119.755 0.300 . 1 . . . . 46 LEU N . 10290 1 503 . 1 1 47 47 THR H H 1 8.846 0.030 . 1 . . . . 47 THR H . 10290 1 504 . 1 1 47 47 THR HA H 1 4.681 0.030 . 1 . . . . 47 THR HA . 10290 1 505 . 1 1 47 47 THR HB H 1 4.830 0.030 . 1 . . . . 47 THR HB . 10290 1 506 . 1 1 47 47 THR HG21 H 1 1.299 0.030 . 1 . . . . 47 THR HG2 . 10290 1 507 . 1 1 47 47 THR HG22 H 1 1.299 0.030 . 1 . . . . 47 THR HG2 . 10290 1 508 . 1 1 47 47 THR HG23 H 1 1.299 0.030 . 1 . . . . 47 THR HG2 . 10290 1 509 . 1 1 47 47 THR C C 13 176.869 0.300 . 1 . . . . 47 THR C . 10290 1 510 . 1 1 47 47 THR CA C 13 60.326 0.300 . 1 . . . . 47 THR CA . 10290 1 511 . 1 1 47 47 THR CB C 13 70.720 0.300 . 1 . . . . 47 THR CB . 10290 1 512 . 1 1 47 47 THR CG2 C 13 21.675 0.300 . 1 . . . . 47 THR CG2 . 10290 1 513 . 1 1 47 47 THR N N 15 109.908 0.300 . 1 . . . . 47 THR N . 10290 1 514 . 1 1 48 48 GLN H H 1 9.324 0.030 . 1 . . . . 48 GLN H . 10290 1 515 . 1 1 48 48 GLN HA H 1 3.708 0.030 . 1 . . . . 48 GLN HA . 10290 1 516 . 1 1 48 48 GLN HB2 H 1 2.105 0.030 . 1 . . . . 48 GLN HB2 . 10290 1 517 . 1 1 48 48 GLN HB3 H 1 2.105 0.030 . 1 . . . . 48 GLN HB3 . 10290 1 518 . 1 1 48 48 GLN HE21 H 1 7.696 0.030 . 2 . . . . 48 GLN HE21 . 10290 1 519 . 1 1 48 48 GLN HE22 H 1 6.996 0.030 . 2 . . . . 48 GLN HE22 . 10290 1 520 . 1 1 48 48 GLN HG2 H 1 2.716 0.030 . 2 . . . . 48 GLN HG2 . 10290 1 521 . 1 1 48 48 GLN HG3 H 1 2.087 0.030 . 2 . . . . 48 GLN HG3 . 10290 1 522 . 1 1 48 48 GLN C C 13 178.548 0.300 . 1 . . . . 48 GLN C . 10290 1 523 . 1 1 48 48 GLN CA C 13 60.839 0.300 . 1 . . . . 48 GLN CA . 10290 1 524 . 1 1 48 48 GLN CB C 13 27.998 0.300 . 1 . . . . 48 GLN CB . 10290 1 525 . 1 1 48 48 GLN CG C 13 35.204 0.300 . 1 . . . . 48 GLN CG . 10290 1 526 . 1 1 48 48 GLN N N 15 120.589 0.300 . 1 . . . . 48 GLN N . 10290 1 527 . 1 1 48 48 GLN NE2 N 15 111.765 0.300 . 1 . . . . 48 GLN NE2 . 10290 1 528 . 1 1 49 49 THR H H 1 8.172 0.030 . 1 . . . . 49 THR H . 10290 1 529 . 1 1 49 49 THR HA H 1 3.908 0.030 . 1 . . . . 49 THR HA . 10290 1 530 . 1 1 49 49 THR HB H 1 4.104 0.030 . 1 . . . . 49 THR HB . 10290 1 531 . 1 1 49 49 THR HG21 H 1 1.290 0.030 . 1 . . . . 49 THR HG2 . 10290 1 532 . 1 1 49 49 THR HG22 H 1 1.290 0.030 . 1 . . . . 49 THR HG2 . 10290 1 533 . 1 1 49 49 THR HG23 H 1 1.290 0.030 . 1 . . . . 49 THR HG2 . 10290 1 534 . 1 1 49 49 THR CA C 13 66.920 0.300 . 1 . . . . 49 THR CA . 10290 1 535 . 1 1 49 49 THR CB C 13 68.671 0.300 . 1 . . . . 49 THR CB . 10290 1 536 . 1 1 49 49 THR CG2 C 13 22.247 0.300 . 1 . . . . 49 THR CG2 . 10290 1 537 . 1 1 49 49 THR N N 15 115.925 0.300 . 1 . . . . 49 THR N . 10290 1 538 . 1 1 50 50 GLN H H 1 8.005 0.030 . 1 . . . . 50 GLN H . 10290 1 539 . 1 1 50 50 GLN HA H 1 4.049 0.030 . 1 . . . . 50 GLN HA . 10290 1 540 . 1 1 50 50 GLN HB2 H 1 2.024 0.030 . 2 . . . . 50 GLN HB2 . 10290 1 541 . 1 1 50 50 GLN HB3 H 1 2.617 0.030 . 2 . . . . 50 GLN HB3 . 10290 1 542 . 1 1 50 50 GLN HE21 H 1 7.346 0.030 . 2 . . . . 50 GLN HE21 . 10290 1 543 . 1 1 50 50 GLN HE22 H 1 6.851 0.030 . 2 . . . . 50 GLN HE22 . 10290 1 544 . 1 1 50 50 GLN HG2 H 1 2.572 0.030 . 2 . . . . 50 GLN HG2 . 10290 1 545 . 1 1 50 50 GLN HG3 H 1 2.472 0.030 . 2 . . . . 50 GLN HG3 . 10290 1 546 . 1 1 50 50 GLN C C 13 180.191 0.300 . 1 . . . . 50 GLN C . 10290 1 547 . 1 1 50 50 GLN CA C 13 59.633 0.300 . 1 . . . . 50 GLN CA . 10290 1 548 . 1 1 50 50 GLN CB C 13 28.965 0.300 . 1 . . . . 50 GLN CB . 10290 1 549 . 1 1 50 50 GLN CG C 13 35.420 0.300 . 1 . . . . 50 GLN CG . 10290 1 550 . 1 1 50 50 GLN N N 15 120.680 0.300 . 1 . . . . 50 GLN N . 10290 1 551 . 1 1 50 50 GLN NE2 N 15 111.563 0.300 . 1 . . . . 50 GLN NE2 . 10290 1 552 . 1 1 51 51 VAL H H 1 7.759 0.030 . 1 . . . . 51 VAL H . 10290 1 553 . 1 1 51 51 VAL HA H 1 3.754 0.030 . 1 . . . . 51 VAL HA . 10290 1 554 . 1 1 51 51 VAL HB H 1 2.192 0.030 . 1 . . . . 51 VAL HB . 10290 1 555 . 1 1 51 51 VAL HG11 H 1 0.981 0.030 . 1 . . . . 51 VAL HG1 . 10290 1 556 . 1 1 51 51 VAL HG12 H 1 0.981 0.030 . 1 . . . . 51 VAL HG1 . 10290 1 557 . 1 1 51 51 VAL HG13 H 1 0.981 0.030 . 1 . . . . 51 VAL HG1 . 10290 1 558 . 1 1 51 51 VAL HG21 H 1 0.984 0.030 . 1 . . . . 51 VAL HG2 . 10290 1 559 . 1 1 51 51 VAL HG22 H 1 0.984 0.030 . 1 . . . . 51 VAL HG2 . 10290 1 560 . 1 1 51 51 VAL HG23 H 1 0.984 0.030 . 1 . . . . 51 VAL HG2 . 10290 1 561 . 1 1 51 51 VAL C C 13 176.534 0.300 . 1 . . . . 51 VAL C . 10290 1 562 . 1 1 51 51 VAL CA C 13 67.618 0.300 . 1 . . . . 51 VAL CA . 10290 1 563 . 1 1 51 51 VAL CB C 13 32.052 0.300 . 1 . . . . 51 VAL CB . 10290 1 564 . 1 1 51 51 VAL CG1 C 13 23.792 0.300 . 2 . . . . 51 VAL CG1 . 10290 1 565 . 1 1 51 51 VAL CG2 C 13 23.512 0.300 . 2 . . . . 51 VAL CG2 . 10290 1 566 . 1 1 51 51 VAL N N 15 119.814 0.300 . 1 . . . . 51 VAL N . 10290 1 567 . 1 1 52 52 LYS H H 1 8.504 0.030 . 1 . . . . 52 LYS H . 10290 1 568 . 1 1 52 52 LYS HA H 1 4.301 0.030 . 1 . . . . 52 LYS HA . 10290 1 569 . 1 1 52 52 LYS HB2 H 1 1.868 0.030 . 2 . . . . 52 LYS HB2 . 10290 1 570 . 1 1 52 52 LYS HB3 H 1 2.217 0.030 . 2 . . . . 52 LYS HB3 . 10290 1 571 . 1 1 52 52 LYS HD2 H 1 1.771 0.030 . 2 . . . . 52 LYS HD2 . 10290 1 572 . 1 1 52 52 LYS HD3 H 1 1.705 0.030 . 2 . . . . 52 LYS HD3 . 10290 1 573 . 1 1 52 52 LYS HE2 H 1 3.021 0.030 . 1 . . . . 52 LYS HE2 . 10290 1 574 . 1 1 52 52 LYS HE3 H 1 3.021 0.030 . 1 . . . . 52 LYS HE3 . 10290 1 575 . 1 1 52 52 LYS HG2 H 1 1.377 0.030 . 2 . . . . 52 LYS HG2 . 10290 1 576 . 1 1 52 52 LYS HG3 H 1 1.631 0.030 . 2 . . . . 52 LYS HG3 . 10290 1 577 . 1 1 52 52 LYS C C 13 179.918 0.300 . 1 . . . . 52 LYS C . 10290 1 578 . 1 1 52 52 LYS CA C 13 60.046 0.300 . 1 . . . . 52 LYS CA . 10290 1 579 . 1 1 52 52 LYS CB C 13 33.392 0.300 . 1 . . . . 52 LYS CB . 10290 1 580 . 1 1 52 52 LYS CD C 13 30.035 0.300 . 1 . . . . 52 LYS CD . 10290 1 581 . 1 1 52 52 LYS CE C 13 42.259 0.300 . 1 . . . . 52 LYS CE . 10290 1 582 . 1 1 52 52 LYS CG C 13 24.955 0.300 . 1 . . . . 52 LYS CG . 10290 1 583 . 1 1 52 52 LYS N N 15 121.422 0.300 . 1 . . . . 52 LYS N . 10290 1 584 . 1 1 53 53 ILE H H 1 8.775 0.030 . 1 . . . . 53 ILE H . 10290 1 585 . 1 1 53 53 ILE HA H 1 3.866 0.030 . 1 . . . . 53 ILE HA . 10290 1 586 . 1 1 53 53 ILE HB H 1 1.981 0.030 . 1 . . . . 53 ILE HB . 10290 1 587 . 1 1 53 53 ILE HD11 H 1 0.869 0.030 . 1 . . . . 53 ILE HD1 . 10290 1 588 . 1 1 53 53 ILE HD12 H 1 0.869 0.030 . 1 . . . . 53 ILE HD1 . 10290 1 589 . 1 1 53 53 ILE HD13 H 1 0.869 0.030 . 1 . . . . 53 ILE HD1 . 10290 1 590 . 1 1 53 53 ILE HG12 H 1 1.354 0.030 . 2 . . . . 53 ILE HG12 . 10290 1 591 . 1 1 53 53 ILE HG13 H 1 1.746 0.030 . 2 . . . . 53 ILE HG13 . 10290 1 592 . 1 1 53 53 ILE HG21 H 1 1.017 0.030 . 1 . . . . 53 ILE HG2 . 10290 1 593 . 1 1 53 53 ILE HG22 H 1 1.017 0.030 . 1 . . . . 53 ILE HG2 . 10290 1 594 . 1 1 53 53 ILE HG23 H 1 1.017 0.030 . 1 . . . . 53 ILE HG2 . 10290 1 595 . 1 1 53 53 ILE C C 13 177.447 0.300 . 1 . . . . 53 ILE C . 10290 1 596 . 1 1 53 53 ILE CA C 13 64.285 0.300 . 1 . . . . 53 ILE CA . 10290 1 597 . 1 1 53 53 ILE CB C 13 38.066 0.300 . 1 . . . . 53 ILE CB . 10290 1 598 . 1 1 53 53 ILE CD1 C 13 12.959 0.300 . 1 . . . . 53 ILE CD1 . 10290 1 599 . 1 1 53 53 ILE CG1 C 13 29.095 0.300 . 1 . . . . 53 ILE CG1 . 10290 1 600 . 1 1 53 53 ILE CG2 C 13 17.456 0.300 . 1 . . . . 53 ILE CG2 . 10290 1 601 . 1 1 53 53 ILE N N 15 119.411 0.300 . 1 . . . . 53 ILE N . 10290 1 602 . 1 1 54 54 TRP H H 1 8.052 0.030 . 1 . . . . 54 TRP H . 10290 1 603 . 1 1 54 54 TRP HA H 1 4.005 0.030 . 1 . . . . 54 TRP HA . 10290 1 604 . 1 1 54 54 TRP HB2 H 1 3.477 0.030 . 2 . . . . 54 TRP HB2 . 10290 1 605 . 1 1 54 54 TRP HB3 H 1 3.338 0.030 . 2 . . . . 54 TRP HB3 . 10290 1 606 . 1 1 54 54 TRP HD1 H 1 6.606 0.030 . 1 . . . . 54 TRP HD1 . 10290 1 607 . 1 1 54 54 TRP HE1 H 1 9.193 0.030 . 1 . . . . 54 TRP HE1 . 10290 1 608 . 1 1 54 54 TRP HE3 H 1 6.934 0.030 . 1 . . . . 54 TRP HE3 . 10290 1 609 . 1 1 54 54 TRP HH2 H 1 6.294 0.030 . 1 . . . . 54 TRP HH2 . 10290 1 610 . 1 1 54 54 TRP HZ2 H 1 7.106 0.030 . 1 . . . . 54 TRP HZ2 . 10290 1 611 . 1 1 54 54 TRP HZ3 H 1 5.762 0.030 . 1 . . . . 54 TRP HZ3 . 10290 1 612 . 1 1 54 54 TRP C C 13 179.712 0.300 . 1 . . . . 54 TRP C . 10290 1 613 . 1 1 54 54 TRP CA C 13 63.406 0.300 . 1 . . . . 54 TRP CA . 10290 1 614 . 1 1 54 54 TRP CB C 13 28.935 0.300 . 1 . . . . 54 TRP CB . 10290 1 615 . 1 1 54 54 TRP CD1 C 13 126.899 0.300 . 1 . . . . 54 TRP CD1 . 10290 1 616 . 1 1 54 54 TRP CE3 C 13 121.350 0.300 . 1 . . . . 54 TRP CE3 . 10290 1 617 . 1 1 54 54 TRP CH2 C 13 122.748 0.300 . 1 . . . . 54 TRP CH2 . 10290 1 618 . 1 1 54 54 TRP CZ2 C 13 113.813 0.300 . 1 . . . . 54 TRP CZ2 . 10290 1 619 . 1 1 54 54 TRP CZ3 C 13 120.938 0.300 . 1 . . . . 54 TRP CZ3 . 10290 1 620 . 1 1 54 54 TRP N N 15 122.233 0.300 . 1 . . . . 54 TRP N . 10290 1 621 . 1 1 54 54 TRP NE1 N 15 128.310 0.300 . 1 . . . . 54 TRP NE1 . 10290 1 622 . 1 1 55 55 PHE H H 1 8.720 0.030 . 1 . . . . 55 PHE H . 10290 1 623 . 1 1 55 55 PHE HA H 1 3.786 0.030 . 1 . . . . 55 PHE HA . 10290 1 624 . 1 1 55 55 PHE HB2 H 1 3.252 0.030 . 2 . . . . 55 PHE HB2 . 10290 1 625 . 1 1 55 55 PHE HB3 H 1 3.534 0.030 . 2 . . . . 55 PHE HB3 . 10290 1 626 . 1 1 55 55 PHE HD1 H 1 7.789 0.030 . 1 . . . . 55 PHE HD1 . 10290 1 627 . 1 1 55 55 PHE HD2 H 1 7.789 0.030 . 1 . . . . 55 PHE HD2 . 10290 1 628 . 1 1 55 55 PHE HE1 H 1 7.498 0.030 . 1 . . . . 55 PHE HE1 . 10290 1 629 . 1 1 55 55 PHE HE2 H 1 7.498 0.030 . 1 . . . . 55 PHE HE2 . 10290 1 630 . 1 1 55 55 PHE HZ H 1 7.124 0.030 . 1 . . . . 55 PHE HZ . 10290 1 631 . 1 1 55 55 PHE C C 13 177.753 0.300 . 1 . . . . 55 PHE C . 10290 1 632 . 1 1 55 55 PHE CA C 13 63.194 0.300 . 1 . . . . 55 PHE CA . 10290 1 633 . 1 1 55 55 PHE CB C 13 39.739 0.300 . 1 . . . . 55 PHE CB . 10290 1 634 . 1 1 55 55 PHE CD1 C 13 132.010 0.300 . 1 . . . . 55 PHE CD1 . 10290 1 635 . 1 1 55 55 PHE CD2 C 13 132.010 0.300 . 1 . . . . 55 PHE CD2 . 10290 1 636 . 1 1 55 55 PHE CE1 C 13 131.997 0.300 . 1 . . . . 55 PHE CE1 . 10290 1 637 . 1 1 55 55 PHE CE2 C 13 131.997 0.300 . 1 . . . . 55 PHE CE2 . 10290 1 638 . 1 1 55 55 PHE CZ C 13 129.150 0.300 . 1 . . . . 55 PHE CZ . 10290 1 639 . 1 1 55 55 PHE N N 15 118.671 0.300 . 1 . . . . 55 PHE N . 10290 1 640 . 1 1 56 56 GLN H H 1 8.294 0.030 . 1 . . . . 56 GLN H . 10290 1 641 . 1 1 56 56 GLN HA H 1 3.952 0.030 . 1 . . . . 56 GLN HA . 10290 1 642 . 1 1 56 56 GLN HB2 H 1 2.268 0.030 . 2 . . . . 56 GLN HB2 . 10290 1 643 . 1 1 56 56 GLN HB3 H 1 2.174 0.030 . 2 . . . . 56 GLN HB3 . 10290 1 644 . 1 1 56 56 GLN HE21 H 1 7.571 0.030 . 2 . . . . 56 GLN HE21 . 10290 1 645 . 1 1 56 56 GLN HE22 H 1 6.923 0.030 . 2 . . . . 56 GLN HE22 . 10290 1 646 . 1 1 56 56 GLN HG2 H 1 2.516 0.030 . 2 . . . . 56 GLN HG2 . 10290 1 647 . 1 1 56 56 GLN HG3 H 1 2.458 0.030 . 2 . . . . 56 GLN HG3 . 10290 1 648 . 1 1 56 56 GLN C C 13 179.029 0.300 . 1 . . . . 56 GLN C . 10290 1 649 . 1 1 56 56 GLN CA C 13 59.414 0.300 . 1 . . . . 56 GLN CA . 10290 1 650 . 1 1 56 56 GLN CB C 13 28.724 0.300 . 1 . . . . 56 GLN CB . 10290 1 651 . 1 1 56 56 GLN CG C 13 34.019 0.300 . 1 . . . . 56 GLN CG . 10290 1 652 . 1 1 56 56 GLN N N 15 118.357 0.300 . 1 . . . . 56 GLN N . 10290 1 653 . 1 1 56 56 GLN NE2 N 15 111.645 0.300 . 1 . . . . 56 GLN NE2 . 10290 1 654 . 1 1 57 57 ASN H H 1 8.580 0.030 . 1 . . . . 57 ASN H . 10290 1 655 . 1 1 57 57 ASN HA H 1 4.315 0.030 . 1 . . . . 57 ASN HA . 10290 1 656 . 1 1 57 57 ASN HB2 H 1 2.720 0.030 . 2 . . . . 57 ASN HB2 . 10290 1 657 . 1 1 57 57 ASN HB3 H 1 2.524 0.030 . 2 . . . . 57 ASN HB3 . 10290 1 658 . 1 1 57 57 ASN HD21 H 1 7.462 0.030 . 2 . . . . 57 ASN HD21 . 10290 1 659 . 1 1 57 57 ASN HD22 H 1 6.885 0.030 . 2 . . . . 57 ASN HD22 . 10290 1 660 . 1 1 57 57 ASN C C 13 177.717 0.300 . 1 . . . . 57 ASN C . 10290 1 661 . 1 1 57 57 ASN CA C 13 55.541 0.300 . 1 . . . . 57 ASN CA . 10290 1 662 . 1 1 57 57 ASN CB C 13 37.796 0.300 . 1 . . . . 57 ASN CB . 10290 1 663 . 1 1 57 57 ASN N N 15 118.858 0.300 . 1 . . . . 57 ASN N . 10290 1 664 . 1 1 57 57 ASN ND2 N 15 112.405 0.300 . 1 . . . . 57 ASN ND2 . 10290 1 665 . 1 1 58 58 LYS H H 1 7.761 0.030 . 1 . . . . 58 LYS H . 10290 1 666 . 1 1 58 58 LYS HA H 1 3.416 0.030 . 1 . . . . 58 LYS HA . 10290 1 667 . 1 1 58 58 LYS HB2 H 1 0.078 0.030 . 2 . . . . 58 LYS HB2 . 10290 1 668 . 1 1 58 58 LYS HB3 H 1 0.617 0.030 . 2 . . . . 58 LYS HB3 . 10290 1 669 . 1 1 58 58 LYS HD2 H 1 0.846 0.030 . 2 . . . . 58 LYS HD2 . 10290 1 670 . 1 1 58 58 LYS HD3 H 1 0.446 0.030 . 2 . . . . 58 LYS HD3 . 10290 1 671 . 1 1 58 58 LYS HE2 H 1 2.280 0.030 . 2 . . . . 58 LYS HE2 . 10290 1 672 . 1 1 58 58 LYS HE3 H 1 2.246 0.030 . 2 . . . . 58 LYS HE3 . 10290 1 673 . 1 1 58 58 LYS HG2 H 1 -0.403 0.030 . 2 . . . . 58 LYS HG2 . 10290 1 674 . 1 1 58 58 LYS HG3 H 1 -0.504 0.030 . 2 . . . . 58 LYS HG3 . 10290 1 675 . 1 1 58 58 LYS C C 13 178.937 0.300 . 1 . . . . 58 LYS C . 10290 1 676 . 1 1 58 58 LYS CA C 13 57.292 0.300 . 1 . . . . 58 LYS CA . 10290 1 677 . 1 1 58 58 LYS CB C 13 30.746 0.300 . 1 . . . . 58 LYS CB . 10290 1 678 . 1 1 58 58 LYS CD C 13 27.262 0.300 . 1 . . . . 58 LYS CD . 10290 1 679 . 1 1 58 58 LYS CE C 13 42.040 0.300 . 1 . . . . 58 LYS CE . 10290 1 680 . 1 1 58 58 LYS CG C 13 21.989 0.300 . 1 . . . . 58 LYS CG . 10290 1 681 . 1 1 58 58 LYS N N 15 122.418 0.300 . 1 . . . . 58 LYS N . 10290 1 682 . 1 1 59 59 ARG H H 1 7.965 0.030 . 1 . . . . 59 ARG H . 10290 1 683 . 1 1 59 59 ARG HA H 1 4.078 0.030 . 1 . . . . 59 ARG HA . 10290 1 684 . 1 1 59 59 ARG HB2 H 1 1.823 0.030 . 2 . . . . 59 ARG HB2 . 10290 1 685 . 1 1 59 59 ARG HB3 H 1 2.111 0.030 . 2 . . . . 59 ARG HB3 . 10290 1 686 . 1 1 59 59 ARG HD2 H 1 2.803 0.030 . 2 . . . . 59 ARG HD2 . 10290 1 687 . 1 1 59 59 ARG HD3 H 1 2.909 0.030 . 2 . . . . 59 ARG HD3 . 10290 1 688 . 1 1 59 59 ARG HG2 H 1 1.549 0.030 . 2 . . . . 59 ARG HG2 . 10290 1 689 . 1 1 59 59 ARG HG3 H 1 2.262 0.030 . 2 . . . . 59 ARG HG3 . 10290 1 690 . 1 1 59 59 ARG C C 13 178.804 0.300 . 1 . . . . 59 ARG C . 10290 1 691 . 1 1 59 59 ARG CA C 13 60.056 0.300 . 1 . . . . 59 ARG CA . 10290 1 692 . 1 1 59 59 ARG CB C 13 31.573 0.300 . 1 . . . . 59 ARG CB . 10290 1 693 . 1 1 59 59 ARG CD C 13 43.631 0.300 . 1 . . . . 59 ARG CD . 10290 1 694 . 1 1 59 59 ARG CG C 13 29.554 0.300 . 1 . . . . 59 ARG CG . 10290 1 695 . 1 1 59 59 ARG N N 15 116.992 0.300 . 1 . . . . 59 ARG N . 10290 1 696 . 1 1 60 60 SER H H 1 7.733 0.030 . 1 . . . . 60 SER H . 10290 1 697 . 1 1 60 60 SER HA H 1 4.308 0.030 . 1 . . . . 60 SER HA . 10290 1 698 . 1 1 60 60 SER HB2 H 1 3.996 0.030 . 1 . . . . 60 SER HB2 . 10290 1 699 . 1 1 60 60 SER HB3 H 1 3.996 0.030 . 1 . . . . 60 SER HB3 . 10290 1 700 . 1 1 60 60 SER C C 13 175.262 0.300 . 1 . . . . 60 SER C . 10290 1 701 . 1 1 60 60 SER CA C 13 60.550 0.300 . 1 . . . . 60 SER CA . 10290 1 702 . 1 1 60 60 SER CB C 13 63.304 0.300 . 1 . . . . 60 SER CB . 10290 1 703 . 1 1 60 60 SER N N 15 113.717 0.300 . 1 . . . . 60 SER N . 10290 1 704 . 1 1 61 61 LYS H H 1 7.622 0.030 . 1 . . . . 61 LYS H . 10290 1 705 . 1 1 61 61 LYS HA H 1 4.218 0.030 . 1 . . . . 61 LYS HA . 10290 1 706 . 1 1 61 61 LYS HB2 H 1 1.869 0.030 . 2 . . . . 61 LYS HB2 . 10290 1 707 . 1 1 61 61 LYS HB3 H 1 1.745 0.030 . 2 . . . . 61 LYS HB3 . 10290 1 708 . 1 1 61 61 LYS HD2 H 1 1.551 0.030 . 1 . . . . 61 LYS HD2 . 10290 1 709 . 1 1 61 61 LYS HD3 H 1 1.551 0.030 . 1 . . . . 61 LYS HD3 . 10290 1 710 . 1 1 61 61 LYS HE2 H 1 2.895 0.030 . 1 . . . . 61 LYS HE2 . 10290 1 711 . 1 1 61 61 LYS HE3 H 1 2.895 0.030 . 1 . . . . 61 LYS HE3 . 10290 1 712 . 1 1 61 61 LYS HG2 H 1 1.438 0.030 . 2 . . . . 61 LYS HG2 . 10290 1 713 . 1 1 61 61 LYS HG3 H 1 1.393 0.030 . 2 . . . . 61 LYS HG3 . 10290 1 714 . 1 1 61 61 LYS C C 13 177.402 0.300 . 1 . . . . 61 LYS C . 10290 1 715 . 1 1 61 61 LYS CA C 13 56.989 0.300 . 1 . . . . 61 LYS CA . 10290 1 716 . 1 1 61 61 LYS CB C 13 32.486 0.300 . 1 . . . . 61 LYS CB . 10290 1 717 . 1 1 61 61 LYS CD C 13 28.828 0.300 . 1 . . . . 61 LYS CD . 10290 1 718 . 1 1 61 61 LYS CE C 13 42.177 0.300 . 1 . . . . 61 LYS CE . 10290 1 719 . 1 1 61 61 LYS CG C 13 24.790 0.300 . 1 . . . . 61 LYS CG . 10290 1 720 . 1 1 61 61 LYS N N 15 121.107 0.300 . 1 . . . . 61 LYS N . 10290 1 721 . 1 1 62 62 ILE H H 1 7.632 0.030 . 1 . . . . 62 ILE H . 10290 1 722 . 1 1 62 62 ILE HA H 1 4.074 0.030 . 1 . . . . 62 ILE HA . 10290 1 723 . 1 1 62 62 ILE HB H 1 1.959 0.030 . 1 . . . . 62 ILE HB . 10290 1 724 . 1 1 62 62 ILE HD11 H 1 0.946 0.030 . 1 . . . . 62 ILE HD1 . 10290 1 725 . 1 1 62 62 ILE HD12 H 1 0.946 0.030 . 1 . . . . 62 ILE HD1 . 10290 1 726 . 1 1 62 62 ILE HD13 H 1 0.946 0.030 . 1 . . . . 62 ILE HD1 . 10290 1 727 . 1 1 62 62 ILE HG12 H 1 1.579 0.030 . 2 . . . . 62 ILE HG12 . 10290 1 728 . 1 1 62 62 ILE HG13 H 1 1.314 0.030 . 2 . . . . 62 ILE HG13 . 10290 1 729 . 1 1 62 62 ILE HG21 H 1 0.948 0.030 . 1 . . . . 62 ILE HG2 . 10290 1 730 . 1 1 62 62 ILE HG22 H 1 0.948 0.030 . 1 . . . . 62 ILE HG2 . 10290 1 731 . 1 1 62 62 ILE HG23 H 1 0.948 0.030 . 1 . . . . 62 ILE HG2 . 10290 1 732 . 1 1 62 62 ILE C C 13 176.614 0.300 . 1 . . . . 62 ILE C . 10290 1 733 . 1 1 62 62 ILE CA C 13 61.960 0.300 . 1 . . . . 62 ILE CA . 10290 1 734 . 1 1 62 62 ILE CB C 13 38.231 0.300 . 1 . . . . 62 ILE CB . 10290 1 735 . 1 1 62 62 ILE CD1 C 13 13.419 0.300 . 1 . . . . 62 ILE CD1 . 10290 1 736 . 1 1 62 62 ILE CG1 C 13 27.561 0.300 . 1 . . . . 62 ILE CG1 . 10290 1 737 . 1 1 62 62 ILE CG2 C 13 17.539 0.300 . 1 . . . . 62 ILE CG2 . 10290 1 738 . 1 1 62 62 ILE N N 15 119.268 0.300 . 1 . . . . 62 ILE N . 10290 1 739 . 1 1 63 63 LYS H H 1 8.100 0.030 . 1 . . . . 63 LYS H . 10290 1 740 . 1 1 63 63 LYS HA H 1 4.304 0.030 . 1 . . . . 63 LYS HA . 10290 1 741 . 1 1 63 63 LYS HB2 H 1 1.867 0.030 . 2 . . . . 63 LYS HB2 . 10290 1 742 . 1 1 63 63 LYS HB3 H 1 1.815 0.030 . 2 . . . . 63 LYS HB3 . 10290 1 743 . 1 1 63 63 LYS HD2 H 1 1.752 0.030 . 2 . . . . 63 LYS HD2 . 10290 1 744 . 1 1 63 63 LYS HE2 H 1 3.020 0.030 . 1 . . . . 63 LYS HE2 . 10290 1 745 . 1 1 63 63 LYS HE3 H 1 3.020 0.030 . 1 . . . . 63 LYS HE3 . 10290 1 746 . 1 1 63 63 LYS HG2 H 1 1.503 0.030 . 2 . . . . 63 LYS HG2 . 10290 1 747 . 1 1 63 63 LYS C C 13 176.623 0.300 . 1 . . . . 63 LYS C . 10290 1 748 . 1 1 63 63 LYS CA C 13 56.672 0.300 . 1 . . . . 63 LYS CA . 10290 1 749 . 1 1 63 63 LYS CB C 13 32.898 0.300 . 1 . . . . 63 LYS CB . 10290 1 750 . 1 1 63 63 LYS CD C 13 29.240 0.300 . 1 . . . . 63 LYS CD . 10290 1 751 . 1 1 63 63 LYS CE C 13 42.259 0.300 . 1 . . . . 63 LYS CE . 10290 1 752 . 1 1 63 63 LYS CG C 13 24.790 0.300 . 1 . . . . 63 LYS CG . 10290 1 753 . 1 1 63 63 LYS N N 15 124.673 0.300 . 1 . . . . 63 LYS N . 10290 1 754 . 1 1 64 64 LYS H H 1 8.272 0.030 . 1 . . . . 64 LYS H . 10290 1 755 . 1 1 64 64 LYS C C 13 176.619 0.300 . 1 . . . . 64 LYS C . 10290 1 756 . 1 1 64 64 LYS CA C 13 56.531 0.300 . 1 . . . . 64 LYS CA . 10290 1 757 . 1 1 64 64 LYS CB C 13 33.017 0.300 . 1 . . . . 64 LYS CB . 10290 1 758 . 1 1 64 64 LYS N N 15 122.722 0.300 . 1 . . . . 64 LYS N . 10290 1 759 . 1 1 65 65 SER HA H 1 4.533 0.030 . 1 . . . . 65 SER HA . 10290 1 760 . 1 1 65 65 SER HB2 H 1 3.910 0.030 . 1 . . . . 65 SER HB2 . 10290 1 761 . 1 1 65 65 SER HB3 H 1 3.910 0.030 . 1 . . . . 65 SER HB3 . 10290 1 762 . 1 1 65 65 SER C C 13 174.501 0.300 . 1 . . . . 65 SER C . 10290 1 763 . 1 1 65 65 SER CA C 13 58.364 0.300 . 1 . . . . 65 SER CA . 10290 1 764 . 1 1 65 65 SER CB C 13 64.210 0.300 . 1 . . . . 65 SER CB . 10290 1 765 . 1 1 66 66 GLY H H 1 8.264 0.030 . 1 . . . . 66 GLY H . 10290 1 766 . 1 1 66 66 GLY C C 13 171.884 0.300 . 1 . . . . 66 GLY C . 10290 1 767 . 1 1 66 66 GLY CA C 13 44.719 0.300 . 1 . . . . 66 GLY CA . 10290 1 768 . 1 1 66 66 GLY N N 15 110.727 0.300 . 1 . . . . 66 GLY N . 10290 1 769 . 1 1 67 67 PRO HD2 H 1 3.652 0.030 . 1 . . . . 67 PRO HD2 . 10290 1 770 . 1 1 67 67 PRO HD3 H 1 3.652 0.030 . 1 . . . . 67 PRO HD3 . 10290 1 771 . 1 1 67 67 PRO HG2 H 1 2.031 0.030 . 2 . . . . 67 PRO HG2 . 10290 1 772 . 1 1 67 67 PRO CA C 13 63.385 0.300 . 1 . . . . 67 PRO CA . 10290 1 773 . 1 1 67 67 PRO CB C 13 32.419 0.300 . 1 . . . . 67 PRO CB . 10290 1 774 . 1 1 67 67 PRO CD C 13 49.820 0.300 . 1 . . . . 67 PRO CD . 10290 1 775 . 1 1 67 67 PRO CG C 13 27.237 0.300 . 1 . . . . 67 PRO CG . 10290 1 stop_ save_