data_17912 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17912 _Entry.Title ; The third SH3 domain of R85FL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-02 _Entry.Accession_date 2011-09-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Ya-Jun Jiang . . . 17912 2 Hongyu Hu . . . 17912 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 'not applicable' 'not applicable' . 17912 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CAP . 17912 ponsin . 17912 R85FL . 17912 SH3 . 17912 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17912 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 17912 '15N chemical shifts' 66 17912 '1H chemical shifts' 396 17912 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 5 . . 2014-02-26 2011-09-02 update BMRB 'update entry citation' 17912 4 . . 2012-11-07 2011-09-02 update BMRB 'delete the outlier 2 THR atoms HB, HG2, CA and CB' 17912 3 . . 2012-11-06 2011-09-02 update BMRB 'delete the outlier 6 and 65 LEU of carbon and nitrogen atoms of 0.00' 17912 2 . . 2012-10-31 2011-09-02 update BMRB 'delete the outlier 26 ARG CA 0.00' 17912 1 . . 2012-09-14 2011-09-02 original author 'original release' 17912 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17913 'third SH3 domain of R85FL with ataxin-7 PRR' 17912 PDB 2LJ0 'BMRB Entry Tracking System' 17912 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17912 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23892081 _Citation.Full_citation . _Citation.Title 'Structural basis for recognition of the third SH3 domain of full-length R85 (R85FL)/ponsin by ataxin-7.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 587 _Citation.Journal_issue 18 _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 2905 _Citation.Page_last 2911 _Citation.Year 2013 _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 Ya-Jun Jiang . . . 17912 1 2 Chen-Jie Zhou . . . 17912 1 3 Zi-Ren Zhou . . . 17912 1 4 Meng Wu . . . 17912 1 5 Hong-Yu Hu . . . 17912 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17912 _Assembly.ID 1 _Assembly.Name 'third SH3 domain of R85FL' _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 'third SH3 domain of R85FL' 1 $entity A . yes native no no . . . 17912 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17912 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'third SH3 domain of R85FL' _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 ; QTSQDLFSYQALYSYIPQND DELELRDGDIVDVMEKCDDG WFVGTSRRTKQFGTFPGNYV KPLYL ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7581.400 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17913 . SH3C . . . . . 98.46 64 100.00 100.00 9.30e-39 . . . . 17912 1 2 no PDB 2LJ0 . "The Third Sh3 Domain Of R85fl" . . . . . 100.00 65 100.00 100.00 1.95e-39 . . . . 17912 1 3 no PDB 2LJ1 . "The Third Sh3 Domain Of R85fl With Ataxin-7 Prr" . . . . . 96.92 64 100.00 100.00 5.53e-38 . . . . 17912 1 4 no DBJ BAA92534 . "KIAA1296 protein [Homo sapiens]" . . . . . 100.00 781 100.00 100.00 1.95e-37 . . . . 17912 1 5 no DBJ BAG58006 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 428 100.00 100.00 1.65e-37 . . . . 17912 1 6 no DBJ BAG62137 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 749 100.00 100.00 2.27e-37 . . . . 17912 1 7 no DBJ BAG65026 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 496 100.00 100.00 1.74e-37 . . . . 17912 1 8 no DBJ BAG72789 . "sorbin and SH3 domain containing 1 [synthetic construct]" . . . . . 100.00 781 100.00 100.00 1.95e-37 . . . . 17912 1 9 no EMBL CAB55947 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 816 100.00 100.00 2.46e-37 . . . . 17912 1 10 no EMBL CAD34588 . "c-Cbl associated protein [Homo sapiens]" . . . . . 100.00 846 100.00 100.00 3.72e-37 . . . . 17912 1 11 no EMBL CAE45892 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 548 100.00 100.00 2.63e-37 . . . . 17912 1 12 no EMBL CAH89601 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 816 98.46 100.00 6.19e-37 . . . . 17912 1 13 no EMBL CAH90184 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 749 98.46 100.00 6.01e-37 . . . . 17912 1 14 no GB AAD27647 . "SH3P12 protein [Homo sapiens]" . . . . . 100.00 684 100.00 100.00 1.69e-37 . . . . 17912 1 15 no GB AAF22175 . "c-Cbl-associated protein SH3P12 [Homo sapiens]" . . . . . 100.00 1004 100.00 100.00 5.88e-37 . . . . 17912 1 16 no GB AAI52464 . "Sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 100.00 781 100.00 100.00 1.95e-37 . . . . 17912 1 17 no GB AAI60134 . "Sorbin and SH3 domain containing 1 [synthetic construct]" . . . . . 100.00 1292 100.00 100.00 2.94e-36 . . . . 17912 1 18 no GB AAK37563 . "sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 100.00 1292 100.00 100.00 2.94e-36 . . . . 17912 1 19 no REF NP_001030126 . "sorbin and SH3 domain-containing protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 1292 100.00 100.00 2.94e-36 . . . . 17912 1 20 no REF NP_001030127 . "sorbin and SH3 domain-containing protein 1 isoform 4 [Homo sapiens]" . . . . . 100.00 1151 100.00 100.00 5.54e-37 . . . . 17912 1 21 no REF NP_001030128 . "sorbin and SH3 domain-containing protein 1 isoform 5 [Homo sapiens]" . . . . . 100.00 905 100.00 100.00 3.57e-37 . . . . 17912 1 22 no REF NP_001030129 . "sorbin and SH3 domain-containing protein 1 isoform 7 [Homo sapiens]" . . . . . 100.00 740 100.00 100.00 2.23e-37 . . . . 17912 1 23 no REF NP_001068637 . "sorbin and SH3 domain-containing protein 1 [Bos taurus]" . . . . . 100.00 750 98.46 100.00 4.76e-37 . . . . 17912 1 24 no SP Q9BX66 . "RecName: Full=Sorbin and SH3 domain-containing protein 1; AltName: Full=Ponsin; AltName: Full=SH3 domain protein 5; AltName: Fu" . . . . . 100.00 1292 100.00 100.00 2.86e-36 . . . . 17912 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 . GLN . 17912 1 2 . THR . 17912 1 3 . SER . 17912 1 4 . GLN . 17912 1 5 . ASP . 17912 1 6 . LEU . 17912 1 7 . PHE . 17912 1 8 . SER . 17912 1 9 . TYR . 17912 1 10 . GLN . 17912 1 11 . ALA . 17912 1 12 . LEU . 17912 1 13 . TYR . 17912 1 14 . SER . 17912 1 15 . TYR . 17912 1 16 . ILE . 17912 1 17 . PRO . 17912 1 18 . GLN . 17912 1 19 . ASN . 17912 1 20 . ASP . 17912 1 21 . ASP . 17912 1 22 . GLU . 17912 1 23 . LEU . 17912 1 24 . GLU . 17912 1 25 . LEU . 17912 1 26 . ARG . 17912 1 27 . ASP . 17912 1 28 . GLY . 17912 1 29 . ASP . 17912 1 30 . ILE . 17912 1 31 . VAL . 17912 1 32 . ASP . 17912 1 33 . VAL . 17912 1 34 . MET . 17912 1 35 . GLU . 17912 1 36 . LYS . 17912 1 37 . CYS . 17912 1 38 . ASP . 17912 1 39 . ASP . 17912 1 40 . GLY . 17912 1 41 . TRP . 17912 1 42 . PHE . 17912 1 43 . VAL . 17912 1 44 . GLY . 17912 1 45 . THR . 17912 1 46 . SER . 17912 1 47 . ARG . 17912 1 48 . ARG . 17912 1 49 . THR . 17912 1 50 . LYS . 17912 1 51 . GLN . 17912 1 52 . PHE . 17912 1 53 . GLY . 17912 1 54 . THR . 17912 1 55 . PHE . 17912 1 56 . PRO . 17912 1 57 . GLY . 17912 1 58 . ASN . 17912 1 59 . TYR . 17912 1 60 . VAL . 17912 1 61 . LYS . 17912 1 62 . PRO . 17912 1 63 . LEU . 17912 1 64 . TYR . 17912 1 65 . LEU . 17912 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 . GLN 1 1 17912 1 . THR 2 2 17912 1 . SER 3 3 17912 1 . GLN 4 4 17912 1 . ASP 5 5 17912 1 . LEU 6 6 17912 1 . PHE 7 7 17912 1 . SER 8 8 17912 1 . TYR 9 9 17912 1 . GLN 10 10 17912 1 . ALA 11 11 17912 1 . LEU 12 12 17912 1 . TYR 13 13 17912 1 . SER 14 14 17912 1 . TYR 15 15 17912 1 . ILE 16 16 17912 1 . PRO 17 17 17912 1 . GLN 18 18 17912 1 . ASN 19 19 17912 1 . ASP 20 20 17912 1 . ASP 21 21 17912 1 . GLU 22 22 17912 1 . LEU 23 23 17912 1 . GLU 24 24 17912 1 . LEU 25 25 17912 1 . ARG 26 26 17912 1 . ASP 27 27 17912 1 . GLY 28 28 17912 1 . ASP 29 29 17912 1 . ILE 30 30 17912 1 . VAL 31 31 17912 1 . ASP 32 32 17912 1 . VAL 33 33 17912 1 . MET 34 34 17912 1 . GLU 35 35 17912 1 . LYS 36 36 17912 1 . CYS 37 37 17912 1 . ASP 38 38 17912 1 . ASP 39 39 17912 1 . GLY 40 40 17912 1 . TRP 41 41 17912 1 . PHE 42 42 17912 1 . VAL 43 43 17912 1 . GLY 44 44 17912 1 . THR 45 45 17912 1 . SER 46 46 17912 1 . ARG 47 47 17912 1 . ARG 48 48 17912 1 . THR 49 49 17912 1 . LYS 50 50 17912 1 . GLN 51 51 17912 1 . PHE 52 52 17912 1 . GLY 53 53 17912 1 . THR 54 54 17912 1 . PHE 55 55 17912 1 . PRO 56 56 17912 1 . GLY 57 57 17912 1 . ASN 58 58 17912 1 . TYR 59 59 17912 1 . VAL 60 60 17912 1 . LYS 61 61 17912 1 . PRO 62 62 17912 1 . LEU 63 63 17912 1 . TYR 64 64 17912 1 . LEU 65 65 17912 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 17912 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17912 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 17912 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 17912 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17912 _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 'sodium phosphate' 'natural abundance' . . . . . . 1 . . mM . . . . 17912 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17912 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17912 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17912 _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' 0.12 . M 17912 1 pH 6.5 . pH 17912 1 pressure 1 . atm 17912 1 temperature 298 . K 17912 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17912 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17912 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17912 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17912 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17912 _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 . . . 17912 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 17912 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17912 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 17912 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17912 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17912 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17912 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 17912 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17912 1 2 '3D CBCA(CO)NH' . . . 17912 1 3 '3D C(CO)NH' . . . 17912 1 6 '3D H(CCO)NH' . . . 17912 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN H H 1 8.666 0.000 . 1 . . . A 1 GLN HN . 17912 1 2 . 1 1 1 1 GLN HA H 1 4.459 0.000 . 1 . . . A 1 GLN HA . 17912 1 3 . 1 1 1 1 GLN N N 15 122.370 0.000 . 1 . . . A 1 GLN N . 17912 1 4 . 1 1 2 2 THR H H 1 8.299 0.000 . 1 . . . A 2 THR H . 17912 1 5 . 1 1 2 2 THR HA H 1 4.421 0.005 . 1 . . . A 2 THR HA . 17912 1 6 . 1 1 2 2 THR C C 13 174.670 0.000 . 1 . . . A 2 THR C . 17912 1 7 . 1 1 2 2 THR N N 15 115.102 0.011 . 1 . . . A 2 THR N . 17912 1 8 . 1 1 3 3 SER H H 1 8.364 0.009 . 1 . . . A 3 SER H . 17912 1 9 . 1 1 3 3 SER HA H 1 4.437 0.004 . 1 . . . A 3 SER HA . 17912 1 10 . 1 1 3 3 SER HB2 H 1 3.898 0.013 . 2 . . . A 3 SER HB2 . 17912 1 11 . 1 1 3 3 SER CA C 13 58.631 0.009 . 1 . . . A 3 SER CA . 17912 1 12 . 1 1 3 3 SER CB C 13 63.886 0.000 . 1 . . . A 3 SER CB . 17912 1 13 . 1 1 3 3 SER N N 15 117.894 0.011 . 1 . . . A 3 SER N . 17912 1 14 . 1 1 4 4 GLN H H 1 8.403 0.000 . 1 . . . A 4 GLN H . 17912 1 15 . 1 1 4 4 GLN HA H 1 4.338 0.006 . 1 . . . A 4 GLN HA . 17912 1 16 . 1 1 4 4 GLN HB2 H 1 2.102 0.009 . 2 . . . A 4 GLN HB2 . 17912 1 17 . 1 1 4 4 GLN HB3 H 1 1.954 0.009 . 2 . . . A 4 GLN HB3 . 17912 1 18 . 1 1 4 4 GLN HG2 H 1 2.335 0.008 . 2 . . . A 4 GLN HG2 . 17912 1 19 . 1 1 4 4 GLN CA C 13 56.038 0.037 . 1 . . . A 4 GLN CA . 17912 1 20 . 1 1 4 4 GLN CB C 13 29.636 0.071 . 1 . . . A 4 GLN CB . 17912 1 21 . 1 1 4 4 GLN CG C 13 33.952 0.032 . 1 . . . A 4 GLN CG . 17912 1 22 . 1 1 4 4 GLN N N 15 122.020 0.013 . 1 . . . A 4 GLN N . 17912 1 23 . 1 1 5 5 ASP H H 1 8.268 0.007 . 1 . . . A 5 ASP H . 17912 1 24 . 1 1 5 5 ASP HA H 1 4.568 0.003 . 1 . . . A 5 ASP HA . 17912 1 25 . 1 1 5 5 ASP HB2 H 1 2.563 0.006 . 2 . . . A 5 ASP HB2 . 17912 1 26 . 1 1 5 5 ASP C C 13 175.558 0.000 . 1 . . . A 5 ASP C . 17912 1 27 . 1 1 5 5 ASP CA C 13 54.664 0.081 . 1 . . . A 5 ASP CA . 17912 1 28 . 1 1 5 5 ASP CB C 13 41.320 0.019 . 1 . . . A 5 ASP CB . 17912 1 29 . 1 1 5 5 ASP N N 15 121.296 0.039 . 1 . . . A 5 ASP N . 17912 1 30 . 1 1 6 6 LEU H H 1 7.833 0.005 . 1 . . . A 6 LEU H . 17912 1 31 . 1 1 6 6 LEU HA H 1 4.316 0.011 . 1 . . . A 6 LEU HA . 17912 1 32 . 1 1 6 6 LEU HB2 H 1 1.447 0.006 . 2 . . . A 6 LEU HB2 . 17912 1 33 . 1 1 6 6 LEU HB3 H 1 1.312 0.006 . 2 . . . A 6 LEU HB3 . 17912 1 34 . 1 1 6 6 LEU HG H 1 1.436 0.003 . 1 . . . A 6 LEU HG . 17912 1 35 . 1 1 6 6 LEU HD11 H 1 0.773 0.010 . 2 . . . A 6 LEU HD11 . 17912 1 36 . 1 1 6 6 LEU HD12 H 1 0.773 0.010 . 2 . . . A 6 LEU HD11 . 17912 1 37 . 1 1 6 6 LEU HD13 H 1 0.773 0.010 . 2 . . . A 6 LEU HD11 . 17912 1 38 . 1 1 6 6 LEU HD21 H 1 0.722 0.003 . 2 . . . A 6 LEU HD21 . 17912 1 39 . 1 1 6 6 LEU HD22 H 1 0.722 0.003 . 2 . . . A 6 LEU HD21 . 17912 1 40 . 1 1 6 6 LEU HD23 H 1 0.722 0.003 . 2 . . . A 6 LEU HD21 . 17912 1 41 . 1 1 6 6 LEU C C 13 176.489 0.000 . 1 . . . A 6 LEU C . 17912 1 42 . 1 1 6 6 LEU CB C 13 42.830 0.028 . 1 . . . A 6 LEU CB . 17912 1 43 . 1 1 6 6 LEU CG C 13 26.962 0.063 . 1 . . . A 6 LEU CG . 17912 1 44 . 1 1 6 6 LEU CD2 C 13 23.692 0.077 . 2 . . . A 6 LEU CD2 . 17912 1 45 . 1 1 6 6 LEU N N 15 121.230 0.013 . 1 . . . A 6 LEU N . 17912 1 46 . 1 1 7 7 PHE H H 1 8.285 0.004 . 1 . . . A 7 PHE H . 17912 1 47 . 1 1 7 7 PHE HA H 1 4.897 0.003 . 1 . . . A 7 PHE HA . 17912 1 48 . 1 1 7 7 PHE HB2 H 1 3.423 0.006 . 2 . . . A 7 PHE HB2 . 17912 1 49 . 1 1 7 7 PHE HB3 H 1 3.049 0.006 . 2 . . . A 7 PHE HB3 . 17912 1 50 . 1 1 7 7 PHE HD1 H 1 7.220 0.001 . 3 . . . A 7 PHE HD1 . 17912 1 51 . 1 1 7 7 PHE HE1 H 1 6.756 0.001 . 3 . . . A 7 PHE HE1 . 17912 1 52 . 1 1 7 7 PHE C C 13 175.228 0.000 . 1 . . . A 7 PHE C . 17912 1 53 . 1 1 7 7 PHE CA C 13 57.049 0.001 . 1 . . . A 7 PHE CA . 17912 1 54 . 1 1 7 7 PHE CB C 13 40.687 0.042 . 1 . . . A 7 PHE CB . 17912 1 55 . 1 1 7 7 PHE N N 15 119.516 0.049 . 1 . . . A 7 PHE N . 17912 1 56 . 1 1 8 8 SER H H 1 8.256 0.017 . 1 . . . A 8 SER H . 17912 1 57 . 1 1 8 8 SER HA H 1 5.364 0.007 . 1 . . . A 8 SER HA . 17912 1 58 . 1 1 8 8 SER HB2 H 1 3.828 0.005 . 2 . . . A 8 SER HB2 . 17912 1 59 . 1 1 8 8 SER HB3 H 1 3.716 0.004 . 2 . . . A 8 SER HB3 . 17912 1 60 . 1 1 8 8 SER C C 13 173.206 0.000 . 1 . . . A 8 SER C . 17912 1 61 . 1 1 8 8 SER CA C 13 58.572 0.023 . 1 . . . A 8 SER CA . 17912 1 62 . 1 1 8 8 SER CB C 13 64.695 0.026 . 1 . . . A 8 SER CB . 17912 1 63 . 1 1 8 8 SER N N 15 117.412 0.031 . 1 . . . A 8 SER N . 17912 1 64 . 1 1 9 9 TYR H H 1 9.285 0.005 . 1 . . . A 9 TYR H . 17912 1 65 . 1 1 9 9 TYR HA H 1 5.079 0.009 . 1 . . . A 9 TYR HA . 17912 1 66 . 1 1 9 9 TYR HB2 H 1 2.798 0.012 . 2 . . . A 9 TYR HB2 . 17912 1 67 . 1 1 9 9 TYR HB3 H 1 2.748 0.014 . 2 . . . A 9 TYR HB3 . 17912 1 68 . 1 1 9 9 TYR HD2 H 1 6.934 0.011 . 3 . . . A 9 TYR HD2 . 17912 1 69 . 1 1 9 9 TYR HE2 H 1 6.765 0.008 . 3 . . . A 9 TYR HE2 . 17912 1 70 . 1 1 9 9 TYR C C 13 173.446 0.000 . 1 . . . A 9 TYR C . 17912 1 71 . 1 1 9 9 TYR CA C 13 56.844 0.067 . 1 . . . A 9 TYR CA . 17912 1 72 . 1 1 9 9 TYR CB C 13 42.746 0.034 . 1 . . . A 9 TYR CB . 17912 1 73 . 1 1 9 9 TYR N N 15 123.596 0.064 . 1 . . . A 9 TYR N . 17912 1 74 . 1 1 10 10 GLN H H 1 9.509 0.003 . 1 . . . A 10 GLN H . 17912 1 75 . 1 1 10 10 GLN HA H 1 5.486 0.007 . 1 . . . A 10 GLN HA . 17912 1 76 . 1 1 10 10 GLN HB2 H 1 1.823 0.007 . 2 . . . A 10 GLN HB2 . 17912 1 77 . 1 1 10 10 GLN HB3 H 1 1.741 0.005 . 2 . . . A 10 GLN HB3 . 17912 1 78 . 1 1 10 10 GLN HG2 H 1 2.052 0.007 . 2 . . . A 10 GLN HG2 . 17912 1 79 . 1 1 10 10 GLN HG3 H 1 1.876 0.000 . 2 . . . A 10 GLN HG3 . 17912 1 80 . 1 1 10 10 GLN HE21 H 1 7.533 0.000 . 2 . . . A 10 GLN HE21 . 17912 1 81 . 1 1 10 10 GLN HE22 H 1 6.807 0.003 . 2 . . . A 10 GLN HE22 . 17912 1 82 . 1 1 10 10 GLN C C 13 175.648 0.000 . 1 . . . A 10 GLN C . 17912 1 83 . 1 1 10 10 GLN CA C 13 53.377 0.019 . 1 . . . A 10 GLN CA . 17912 1 84 . 1 1 10 10 GLN CB C 13 33.081 0.115 . 1 . . . A 10 GLN CB . 17912 1 85 . 1 1 10 10 GLN CG C 13 33.608 0.090 . 1 . . . A 10 GLN CG . 17912 1 86 . 1 1 10 10 GLN N N 15 120.038 0.040 . 1 . . . A 10 GLN N . 17912 1 87 . 1 1 10 10 GLN NE2 N 15 111.314 0.003 . 1 . . . A 10 GLN NE2 . 17912 1 88 . 1 1 11 11 ALA H H 1 9.584 0.009 . 1 . . . A 11 ALA H . 17912 1 89 . 1 1 11 11 ALA HA H 1 4.722 0.007 . 1 . . . A 11 ALA HA . 17912 1 90 . 1 1 11 11 ALA HB1 H 1 1.484 0.007 . 1 . . . A 11 ALA HB1 . 17912 1 91 . 1 1 11 11 ALA HB2 H 1 1.484 0.007 . 1 . . . A 11 ALA HB1 . 17912 1 92 . 1 1 11 11 ALA HB3 H 1 1.484 0.007 . 1 . . . A 11 ALA HB1 . 17912 1 93 . 1 1 11 11 ALA C C 13 178.266 0.000 . 1 . . . A 11 ALA C . 17912 1 94 . 1 1 11 11 ALA CA C 13 52.723 0.144 . 1 . . . A 11 ALA CA . 17912 1 95 . 1 1 11 11 ALA CB C 13 19.046 0.063 . 1 . . . A 11 ALA CB . 17912 1 96 . 1 1 11 11 ALA N N 15 128.248 0.062 . 1 . . . A 11 ALA N . 17912 1 97 . 1 1 12 12 LEU H H 1 9.298 0.004 . 1 . . . A 12 LEU H . 17912 1 98 . 1 1 12 12 LEU HA H 1 4.064 0.005 . 1 . . . A 12 LEU HA . 17912 1 99 . 1 1 12 12 LEU HB2 H 1 0.923 0.008 . 2 . . . A 12 LEU HB2 . 17912 1 100 . 1 1 12 12 LEU HB3 H 1 0.656 0.009 . 2 . . . A 12 LEU HB3 . 17912 1 101 . 1 1 12 12 LEU HG H 1 1.342 0.009 . 1 . . . A 12 LEU HG . 17912 1 102 . 1 1 12 12 LEU HD11 H 1 0.703 0.005 . 2 . . . A 12 LEU HD11 . 17912 1 103 . 1 1 12 12 LEU HD12 H 1 0.703 0.005 . 2 . . . A 12 LEU HD11 . 17912 1 104 . 1 1 12 12 LEU HD13 H 1 0.703 0.005 . 2 . . . A 12 LEU HD11 . 17912 1 105 . 1 1 12 12 LEU HD21 H 1 0.686 0.009 . 2 . . . A 12 LEU HD21 . 17912 1 106 . 1 1 12 12 LEU HD22 H 1 0.686 0.009 . 2 . . . A 12 LEU HD21 . 17912 1 107 . 1 1 12 12 LEU HD23 H 1 0.686 0.009 . 2 . . . A 12 LEU HD21 . 17912 1 108 . 1 1 12 12 LEU C C 13 175.182 0.000 . 1 . . . A 12 LEU C . 17912 1 109 . 1 1 12 12 LEU CA C 13 55.373 0.045 . 1 . . . A 12 LEU CA . 17912 1 110 . 1 1 12 12 LEU CB C 13 43.758 0.041 . 1 . . . A 12 LEU CB . 17912 1 111 . 1 1 12 12 LEU CG C 13 27.010 0.086 . 1 . . . A 12 LEU CG . 17912 1 112 . 1 1 12 12 LEU CD1 C 13 25.528 0.050 . 2 . . . A 12 LEU CD1 . 17912 1 113 . 1 1 12 12 LEU CD2 C 13 22.891 0.035 . 2 . . . A 12 LEU CD2 . 17912 1 114 . 1 1 12 12 LEU N N 15 126.548 0.069 . 1 . . . A 12 LEU N . 17912 1 115 . 1 1 13 13 TYR H H 1 7.115 0.007 . 1 . . . A 13 TYR H . 17912 1 116 . 1 1 13 13 TYR HA H 1 4.814 0.007 . 1 . . . A 13 TYR HA . 17912 1 117 . 1 1 13 13 TYR HB2 H 1 3.286 0.004 . 2 . . . A 13 TYR HB2 . 17912 1 118 . 1 1 13 13 TYR HB3 H 1 2.482 0.013 . 2 . . . A 13 TYR HB3 . 17912 1 119 . 1 1 13 13 TYR HD1 H 1 6.732 0.010 . 3 . . . A 13 TYR HD1 . 17912 1 120 . 1 1 13 13 TYR HE1 H 1 6.982 0.013 . 3 . . . A 13 TYR HE1 . 17912 1 121 . 1 1 13 13 TYR C C 13 173.882 0.000 . 1 . . . A 13 TYR C . 17912 1 122 . 1 1 13 13 TYR CA C 13 53.835 0.001 . 1 . . . A 13 TYR CA . 17912 1 123 . 1 1 13 13 TYR CB C 13 42.324 0.160 . 1 . . . A 13 TYR CB . 17912 1 124 . 1 1 13 13 TYR N N 15 112.997 0.035 . 1 . . . A 13 TYR N . 17912 1 125 . 1 1 14 14 SER H H 1 8.367 0.004 . 1 . . . A 14 SER H . 17912 1 126 . 1 1 14 14 SER HA H 1 4.424 0.004 . 1 . . . A 14 SER HA . 17912 1 127 . 1 1 14 14 SER HB3 H 1 3.945 0.008 . 2 . . . A 14 SER HB3 . 17912 1 128 . 1 1 14 14 SER C C 13 173.315 0.000 . 1 . . . A 14 SER C . 17912 1 129 . 1 1 14 14 SER CA C 13 58.675 0.026 . 1 . . . A 14 SER CA . 17912 1 130 . 1 1 14 14 SER CB C 13 63.973 0.006 . 1 . . . A 14 SER CB . 17912 1 131 . 1 1 14 14 SER N N 15 113.679 0.046 . 1 . . . A 14 SER N . 17912 1 132 . 1 1 15 15 TYR H H 1 9.012 0.006 . 1 . . . A 15 TYR H . 17912 1 133 . 1 1 15 15 TYR HA H 1 4.682 0.008 . 1 . . . A 15 TYR HA . 17912 1 134 . 1 1 15 15 TYR HB2 H 1 2.726 0.007 . 2 . . . A 15 TYR HB2 . 17912 1 135 . 1 1 15 15 TYR HB3 H 1 2.584 0.008 . 2 . . . A 15 TYR HB3 . 17912 1 136 . 1 1 15 15 TYR HD2 H 1 6.999 0.012 . 3 . . . A 15 TYR HD2 . 17912 1 137 . 1 1 15 15 TYR HE2 H 1 6.783 0.000 . 3 . . . A 15 TYR HE2 . 17912 1 138 . 1 1 15 15 TYR C C 13 173.334 0.000 . 1 . . . A 15 TYR C . 17912 1 139 . 1 1 15 15 TYR CA C 13 58.746 0.059 . 1 . . . A 15 TYR CA . 17912 1 140 . 1 1 15 15 TYR CB C 13 42.071 0.066 . 1 . . . A 15 TYR CB . 17912 1 141 . 1 1 15 15 TYR N N 15 123.628 0.032 . 1 . . . A 15 TYR N . 17912 1 142 . 1 1 16 16 ILE H H 1 7.493 0.005 . 1 . . . A 16 ILE H . 17912 1 143 . 1 1 16 16 ILE HA H 1 4.369 0.005 . 1 . . . A 16 ILE HA . 17912 1 144 . 1 1 16 16 ILE HB H 1 1.583 0.005 . 1 . . . A 16 ILE HB . 17912 1 145 . 1 1 16 16 ILE HG12 H 1 1.413 0.003 . 2 . . . A 16 ILE HG12 . 17912 1 146 . 1 1 16 16 ILE HG13 H 1 1.200 0.004 . 2 . . . A 16 ILE HG13 . 17912 1 147 . 1 1 16 16 ILE HG21 H 1 0.782 0.003 . 1 . . . A 16 ILE HG21 . 17912 1 148 . 1 1 16 16 ILE HG22 H 1 0.782 0.003 . 1 . . . A 16 ILE HG21 . 17912 1 149 . 1 1 16 16 ILE HG23 H 1 0.782 0.003 . 1 . . . A 16 ILE HG21 . 17912 1 150 . 1 1 16 16 ILE HD11 H 1 0.781 0.003 . 1 . . . A 16 ILE HD11 . 17912 1 151 . 1 1 16 16 ILE HD12 H 1 0.781 0.003 . 1 . . . A 16 ILE HD11 . 17912 1 152 . 1 1 16 16 ILE HD13 H 1 0.781 0.003 . 1 . . . A 16 ILE HD11 . 17912 1 153 . 1 1 16 16 ILE CA C 13 56.482 0.031 . 1 . . . A 16 ILE CA . 17912 1 154 . 1 1 16 16 ILE CB C 13 37.995 0.048 . 1 . . . A 16 ILE CB . 17912 1 155 . 1 1 16 16 ILE CG2 C 13 16.608 0.004 . 1 . . . A 16 ILE CG2 . 17912 1 156 . 1 1 16 16 ILE CD1 C 13 11.646 0.021 . 1 . . . A 16 ILE CD1 . 17912 1 157 . 1 1 16 16 ILE N N 15 129.105 0.049 . 1 . . . A 16 ILE N . 17912 1 158 . 1 1 17 17 PRO HA H 1 4.447 0.004 . 1 . . . A 17 PRO HA . 17912 1 159 . 1 1 17 17 PRO HB2 H 1 2.330 0.007 . 2 . . . A 17 PRO HB2 . 17912 1 160 . 1 1 17 17 PRO HB3 H 1 2.044 0.005 . 2 . . . A 17 PRO HB3 . 17912 1 161 . 1 1 17 17 PRO HG2 H 1 2.158 0.005 . 2 . . . A 17 PRO HG2 . 17912 1 162 . 1 1 17 17 PRO HG3 H 1 1.832 0.004 . 2 . . . A 17 PRO HG3 . 17912 1 163 . 1 1 17 17 PRO HD2 H 1 3.834 0.008 . 2 . . . A 17 PRO HD2 . 17912 1 164 . 1 1 17 17 PRO HD3 H 1 3.780 0.018 . 2 . . . A 17 PRO HD3 . 17912 1 165 . 1 1 17 17 PRO C C 13 177.502 0.000 . 1 . . . A 17 PRO C . 17912 1 166 . 1 1 17 17 PRO CA C 13 63.106 0.009 . 1 . . . A 17 PRO CA . 17912 1 167 . 1 1 17 17 PRO CB C 13 34.053 0.060 . 1 . . . A 17 PRO CB . 17912 1 168 . 1 1 17 17 PRO CG C 13 27.788 0.042 . 1 . . . A 17 PRO CG . 17912 1 169 . 1 1 17 17 PRO CD C 13 51.086 0.056 . 1 . . . A 17 PRO CD . 17912 1 170 . 1 1 18 18 GLN H H 1 9.296 0.001 . 1 . . . A 18 GLN H . 17912 1 171 . 1 1 18 18 GLN HA H 1 4.284 0.005 . 1 . . . A 18 GLN HA . 17912 1 172 . 1 1 18 18 GLN HB2 H 1 2.316 0.008 . 2 . . . A 18 GLN HB2 . 17912 1 173 . 1 1 18 18 GLN HB3 H 1 2.111 0.006 . 2 . . . A 18 GLN HB3 . 17912 1 174 . 1 1 18 18 GLN HG2 H 1 2.559 0.006 . 2 . . . A 18 GLN HG2 . 17912 1 175 . 1 1 18 18 GLN HG3 H 1 2.428 0.001 . 2 . . . A 18 GLN HG3 . 17912 1 176 . 1 1 18 18 GLN HE21 H 1 7.566 0.000 . 2 . . . A 18 GLN HE21 . 17912 1 177 . 1 1 18 18 GLN HE22 H 1 6.884 0.000 . 2 . . . A 18 GLN HE22 . 17912 1 178 . 1 1 18 18 GLN C C 13 175.436 0.000 . 1 . . . A 18 GLN C . 17912 1 179 . 1 1 18 18 GLN CA C 13 55.065 0.116 . 1 . . . A 18 GLN CA . 17912 1 180 . 1 1 18 18 GLN CB C 13 30.401 0.033 . 1 . . . A 18 GLN CB . 17912 1 181 . 1 1 18 18 GLN CG C 13 34.315 0.030 . 1 . . . A 18 GLN CG . 17912 1 182 . 1 1 18 18 GLN N N 15 120.769 0.048 . 1 . . . A 18 GLN N . 17912 1 183 . 1 1 18 18 GLN NE2 N 15 114.272 0.007 . 1 . . . A 18 GLN NE2 . 17912 1 184 . 1 1 19 19 ASN H H 1 7.493 0.003 . 1 . . . A 19 ASN H . 17912 1 185 . 1 1 19 19 ASN HA H 1 4.787 0.004 . 1 . . . A 19 ASN HA . 17912 1 186 . 1 1 19 19 ASN HB2 H 1 2.922 0.007 . 2 . . . A 19 ASN HB2 . 17912 1 187 . 1 1 19 19 ASN HB3 H 1 2.808 0.007 . 2 . . . A 19 ASN HB3 . 17912 1 188 . 1 1 19 19 ASN HD21 H 1 7.565 0.000 . 2 . . . A 19 ASN HD21 . 17912 1 189 . 1 1 19 19 ASN HD22 H 1 6.711 0.006 . 2 . . . A 19 ASN HD22 . 17912 1 190 . 1 1 19 19 ASN C C 13 175.773 0.000 . 1 . . . A 19 ASN C . 17912 1 191 . 1 1 19 19 ASN CA C 13 52.239 0.002 . 1 . . . A 19 ASN CA . 17912 1 192 . 1 1 19 19 ASN CB C 13 41.637 0.038 . 1 . . . A 19 ASN CB . 17912 1 193 . 1 1 19 19 ASN N N 15 113.052 0.038 . 1 . . . A 19 ASN N . 17912 1 194 . 1 1 19 19 ASN ND2 N 15 115.031 0.003 . 1 . . . A 19 ASN ND2 . 17912 1 195 . 1 1 20 20 ASP H H 1 8.682 0.005 . 1 . . . A 20 ASP H . 17912 1 196 . 1 1 20 20 ASP HA H 1 4.554 0.006 . 1 . . . A 20 ASP HA . 17912 1 197 . 1 1 20 20 ASP HB2 H 1 2.841 0.007 . 2 . . . A 20 ASP HB2 . 17912 1 198 . 1 1 20 20 ASP HB3 H 1 2.710 0.004 . 2 . . . A 20 ASP HB3 . 17912 1 199 . 1 1 20 20 ASP C C 13 176.051 0.000 . 1 . . . A 20 ASP C . 17912 1 200 . 1 1 20 20 ASP CA C 13 56.688 0.128 . 1 . . . A 20 ASP CA . 17912 1 201 . 1 1 20 20 ASP CB C 13 40.775 0.014 . 1 . . . A 20 ASP CB . 17912 1 202 . 1 1 20 20 ASP N N 15 118.402 0.038 . 1 . . . A 20 ASP N . 17912 1 203 . 1 1 21 21 ASP H H 1 8.576 0.001 . 1 . . . A 21 ASP H . 17912 1 204 . 1 1 21 21 ASP HA H 1 4.808 0.006 . 1 . . . A 21 ASP HA . 17912 1 205 . 1 1 21 21 ASP HB2 H 1 2.901 0.010 . 2 . . . A 21 ASP HB2 . 17912 1 206 . 1 1 21 21 ASP HB3 H 1 2.771 0.011 . 2 . . . A 21 ASP HB3 . 17912 1 207 . 1 1 21 21 ASP C C 13 176.439 0.000 . 1 . . . A 21 ASP C . 17912 1 208 . 1 1 21 21 ASP CA C 13 54.362 0.001 . 1 . . . A 21 ASP CA . 17912 1 209 . 1 1 21 21 ASP CB C 13 40.707 0.046 . 1 . . . A 21 ASP CB . 17912 1 210 . 1 1 21 21 ASP N N 15 116.989 0.011 . 1 . . . A 21 ASP N . 17912 1 211 . 1 1 22 22 GLU H H 1 7.529 0.008 . 1 . . . A 22 GLU H . 17912 1 212 . 1 1 22 22 GLU HA H 1 5.290 0.006 . 1 . . . A 22 GLU HA . 17912 1 213 . 1 1 22 22 GLU HB2 H 1 2.541 0.006 . 2 . . . A 22 GLU HB2 . 17912 1 214 . 1 1 22 22 GLU HB3 H 1 2.319 0.007 . 2 . . . A 22 GLU HB3 . 17912 1 215 . 1 1 22 22 GLU HG2 H 1 2.580 0.013 . 2 . . . A 22 GLU HG2 . 17912 1 216 . 1 1 22 22 GLU HG3 H 1 2.503 0.003 . 2 . . . A 22 GLU HG3 . 17912 1 217 . 1 1 22 22 GLU C C 13 175.427 0.000 . 1 . . . A 22 GLU C . 17912 1 218 . 1 1 22 22 GLU CA C 13 55.243 0.034 . 1 . . . A 22 GLU CA . 17912 1 219 . 1 1 22 22 GLU CB C 13 32.529 0.124 . 1 . . . A 22 GLU CB . 17912 1 220 . 1 1 22 22 GLU CG C 13 36.813 0.075 . 1 . . . A 22 GLU CG . 17912 1 221 . 1 1 22 22 GLU N N 15 119.572 0.028 . 1 . . . A 22 GLU N . 17912 1 222 . 1 1 23 23 LEU H H 1 8.799 0.004 . 1 . . . A 23 LEU H . 17912 1 223 . 1 1 23 23 LEU HA H 1 4.355 0.006 . 1 . . . A 23 LEU HA . 17912 1 224 . 1 1 23 23 LEU HB2 H 1 1.700 0.006 . 2 . . . A 23 LEU HB2 . 17912 1 225 . 1 1 23 23 LEU HB3 H 1 0.825 0.005 . 2 . . . A 23 LEU HB3 . 17912 1 226 . 1 1 23 23 LEU HG H 1 0.548 0.006 . 1 . . . A 23 LEU HG . 17912 1 227 . 1 1 23 23 LEU HD11 H 1 1.338 0.004 . 2 . . . A 23 LEU HD11 . 17912 1 228 . 1 1 23 23 LEU HD12 H 1 1.338 0.004 . 2 . . . A 23 LEU HD11 . 17912 1 229 . 1 1 23 23 LEU HD13 H 1 1.338 0.004 . 2 . . . A 23 LEU HD11 . 17912 1 230 . 1 1 23 23 LEU HD21 H 1 0.747 0.008 . 2 . . . A 23 LEU HD21 . 17912 1 231 . 1 1 23 23 LEU HD22 H 1 0.747 0.008 . 2 . . . A 23 LEU HD21 . 17912 1 232 . 1 1 23 23 LEU HD23 H 1 0.747 0.008 . 2 . . . A 23 LEU HD21 . 17912 1 233 . 1 1 23 23 LEU C C 13 173.919 0.000 . 1 . . . A 23 LEU C . 17912 1 234 . 1 1 23 23 LEU CA C 13 53.322 0.024 . 1 . . . A 23 LEU CA . 17912 1 235 . 1 1 23 23 LEU CB C 13 45.768 0.032 . 1 . . . A 23 LEU CB . 17912 1 236 . 1 1 23 23 LEU CG C 13 26.067 0.047 . 1 . . . A 23 LEU CG . 17912 1 237 . 1 1 23 23 LEU CD1 C 13 25.865 0.000 . 2 . . . A 23 LEU CD1 . 17912 1 238 . 1 1 23 23 LEU CD2 C 13 24.881 0.026 . 2 . . . A 23 LEU CD2 . 17912 1 239 . 1 1 23 23 LEU N N 15 124.349 0.034 . 1 . . . A 23 LEU N . 17912 1 240 . 1 1 24 24 GLU H H 1 8.078 0.003 . 1 . . . A 24 GLU H . 17912 1 241 . 1 1 24 24 GLU HA H 1 4.551 0.009 . 1 . . . A 24 GLU HA . 17912 1 242 . 1 1 24 24 GLU HB3 H 1 2.003 0.010 . 2 . . . A 24 GLU HB3 . 17912 1 243 . 1 1 24 24 GLU HG2 H 1 2.561 0.007 . 2 . . . A 24 GLU HG2 . 17912 1 244 . 1 1 24 24 GLU HG3 H 1 1.924 0.010 . 2 . . . A 24 GLU HG3 . 17912 1 245 . 1 1 24 24 GLU C C 13 176.413 0.000 . 1 . . . A 24 GLU C . 17912 1 246 . 1 1 24 24 GLU CA C 13 56.379 0.001 . 1 . . . A 24 GLU CA . 17912 1 247 . 1 1 24 24 GLU CB C 13 29.971 0.000 . 1 . . . A 24 GLU CB . 17912 1 248 . 1 1 24 24 GLU CG C 13 36.421 0.023 . 1 . . . A 24 GLU CG . 17912 1 249 . 1 1 24 24 GLU N N 15 122.615 0.053 . 1 . . . A 24 GLU N . 17912 1 250 . 1 1 25 25 LEU H H 1 8.697 0.005 . 1 . . . A 25 LEU H . 17912 1 251 . 1 1 25 25 LEU HA H 1 4.637 0.008 . 1 . . . A 25 LEU HA . 17912 1 252 . 1 1 25 25 LEU HB2 H 1 1.878 0.004 . 2 . . . A 25 LEU HB2 . 17912 1 253 . 1 1 25 25 LEU HB3 H 1 1.176 0.005 . 2 . . . A 25 LEU HB3 . 17912 1 254 . 1 1 25 25 LEU HG H 1 1.563 0.013 . 1 . . . A 25 LEU HG . 17912 1 255 . 1 1 25 25 LEU HD11 H 1 0.386 0.008 . 2 . . . A 25 LEU HD11 . 17912 1 256 . 1 1 25 25 LEU HD12 H 1 0.386 0.008 . 2 . . . A 25 LEU HD11 . 17912 1 257 . 1 1 25 25 LEU HD13 H 1 0.386 0.008 . 2 . . . A 25 LEU HD11 . 17912 1 258 . 1 1 25 25 LEU HD21 H 1 0.322 0.009 . 2 . . . A 25 LEU HD21 . 17912 1 259 . 1 1 25 25 LEU HD22 H 1 0.322 0.009 . 2 . . . A 25 LEU HD21 . 17912 1 260 . 1 1 25 25 LEU HD23 H 1 0.322 0.009 . 2 . . . A 25 LEU HD21 . 17912 1 261 . 1 1 25 25 LEU C C 13 176.236 0.000 . 1 . . . A 25 LEU C . 17912 1 262 . 1 1 25 25 LEU CA C 13 53.699 0.046 . 1 . . . A 25 LEU CA . 17912 1 263 . 1 1 25 25 LEU CB C 13 45.305 0.025 . 1 . . . A 25 LEU CB . 17912 1 264 . 1 1 25 25 LEU CG C 13 25.917 0.118 . 1 . . . A 25 LEU CG . 17912 1 265 . 1 1 25 25 LEU CD1 C 13 24.893 0.037 . 2 . . . A 25 LEU CD1 . 17912 1 266 . 1 1 25 25 LEU CD2 C 13 23.348 0.034 . 2 . . . A 25 LEU CD2 . 17912 1 267 . 1 1 25 25 LEU N N 15 125.666 0.049 . 1 . . . A 25 LEU N . 17912 1 268 . 1 1 26 26 ARG H H 1 8.695 0.004 . 1 . . . A 26 ARG H . 17912 1 269 . 1 1 26 26 ARG HA H 1 4.750 0.008 . 1 . . . A 26 ARG HA . 17912 1 270 . 1 1 26 26 ARG HB2 H 1 1.806 0.008 . 2 . . . A 26 ARG HB2 . 17912 1 271 . 1 1 26 26 ARG HB3 H 1 1.643 0.006 . 2 . . . A 26 ARG HB3 . 17912 1 272 . 1 1 26 26 ARG HG2 H 1 1.676 0.004 . 2 . . . A 26 ARG HG2 . 17912 1 273 . 1 1 26 26 ARG HG3 H 1 1.585 0.002 . 2 . . . A 26 ARG HG3 . 17912 1 274 . 1 1 26 26 ARG HD2 H 1 3.166 0.006 . 2 . . . A 26 ARG HD2 . 17912 1 275 . 1 1 26 26 ARG HD3 H 1 3.055 0.005 . 2 . . . A 26 ARG HD3 . 17912 1 276 . 1 1 26 26 ARG C C 13 174.830 0.000 . 1 . . . A 26 ARG C . 17912 1 277 . 1 1 26 26 ARG CB C 13 32.685 0.033 . 1 . . . A 26 ARG CB . 17912 1 278 . 1 1 26 26 ARG CG C 13 27.082 0.029 . 1 . . . A 26 ARG CG . 17912 1 279 . 1 1 26 26 ARG CD C 13 43.782 0.027 . 1 . . . A 26 ARG CD . 17912 1 280 . 1 1 26 26 ARG N N 15 124.689 0.041 . 1 . . . A 26 ARG N . 17912 1 281 . 1 1 27 27 ASP H H 1 8.218 0.006 . 1 . . . A 27 ASP H . 17912 1 282 . 1 1 27 27 ASP HA H 1 3.495 0.006 . 1 . . . A 27 ASP HA . 17912 1 283 . 1 1 27 27 ASP HB2 H 1 2.394 0.016 . 2 . . . A 27 ASP HB2 . 17912 1 284 . 1 1 27 27 ASP HB3 H 1 2.335 0.007 . 2 . . . A 27 ASP HB3 . 17912 1 285 . 1 1 27 27 ASP C C 13 176.106 0.000 . 1 . . . A 27 ASP C . 17912 1 286 . 1 1 27 27 ASP CA C 13 56.136 0.010 . 1 . . . A 27 ASP CA . 17912 1 287 . 1 1 27 27 ASP CB C 13 40.327 0.005 . 1 . . . A 27 ASP CB . 17912 1 288 . 1 1 27 27 ASP N N 15 121.139 0.041 . 1 . . . A 27 ASP N . 17912 1 289 . 1 1 28 28 GLY H H 1 8.563 0.003 . 1 . . . A 28 GLY H . 17912 1 290 . 1 1 28 28 GLY HA2 H 1 4.462 0.006 . 2 . . . A 28 GLY HA2 . 17912 1 291 . 1 1 28 28 GLY HA3 H 1 3.533 0.008 . 2 . . . A 28 GLY HA3 . 17912 1 292 . 1 1 28 28 GLY C C 13 174.968 0.000 . 1 . . . A 28 GLY C . 17912 1 293 . 1 1 28 28 GLY CA C 13 45.033 0.032 . 1 . . . A 28 GLY CA . 17912 1 294 . 1 1 28 28 GLY N N 15 113.430 0.087 . 1 . . . A 28 GLY N . 17912 1 295 . 1 1 29 29 ASP H H 1 8.469 0.004 . 1 . . . A 29 ASP H . 17912 1 296 . 1 1 29 29 ASP HA H 1 4.510 0.006 . 1 . . . A 29 ASP HA . 17912 1 297 . 1 1 29 29 ASP HB2 H 1 2.737 0.003 . 2 . . . A 29 ASP HB2 . 17912 1 298 . 1 1 29 29 ASP HB3 H 1 2.648 0.009 . 2 . . . A 29 ASP HB3 . 17912 1 299 . 1 1 29 29 ASP C C 13 175.229 0.000 . 1 . . . A 29 ASP C . 17912 1 300 . 1 1 29 29 ASP CB C 13 41.609 0.010 . 1 . . . A 29 ASP CB . 17912 1 301 . 1 1 29 29 ASP N N 15 122.391 0.037 . 1 . . . A 29 ASP N . 17912 1 302 . 1 1 30 30 ILE H H 1 8.630 0.004 . 1 . . . A 30 ILE H . 17912 1 303 . 1 1 30 30 ILE HA H 1 5.027 0.002 . 1 . . . A 30 ILE HA . 17912 1 304 . 1 1 30 30 ILE HB H 1 1.734 0.005 . 1 . . . A 30 ILE HB . 17912 1 305 . 1 1 30 30 ILE HG12 H 1 1.774 0.007 . 2 . . . A 30 ILE HG12 . 17912 1 306 . 1 1 30 30 ILE HG13 H 1 1.179 0.006 . 2 . . . A 30 ILE HG13 . 17912 1 307 . 1 1 30 30 ILE HG21 H 1 0.897 0.008 . 1 . . . A 30 ILE HG21 . 17912 1 308 . 1 1 30 30 ILE HG22 H 1 0.897 0.008 . 1 . . . A 30 ILE HG21 . 17912 1 309 . 1 1 30 30 ILE HG23 H 1 0.897 0.008 . 1 . . . A 30 ILE HG21 . 17912 1 310 . 1 1 30 30 ILE HD11 H 1 0.868 0.006 . 1 . . . A 30 ILE HD11 . 17912 1 311 . 1 1 30 30 ILE HD12 H 1 0.868 0.006 . 1 . . . A 30 ILE HD11 . 17912 1 312 . 1 1 30 30 ILE HD13 H 1 0.868 0.006 . 1 . . . A 30 ILE HD11 . 17912 1 313 . 1 1 30 30 ILE C C 13 175.466 0.000 . 1 . . . A 30 ILE C . 17912 1 314 . 1 1 30 30 ILE CA C 13 60.038 0.011 . 1 . . . A 30 ILE CA . 17912 1 315 . 1 1 30 30 ILE CB C 13 38.343 0.063 . 1 . . . A 30 ILE CB . 17912 1 316 . 1 1 30 30 ILE CG1 C 13 28.083 0.023 . 1 . . . A 30 ILE CG1 . 17912 1 317 . 1 1 30 30 ILE CG2 C 13 17.077 0.029 . 1 . . . A 30 ILE CG2 . 17912 1 318 . 1 1 30 30 ILE CD1 C 13 12.255 0.042 . 1 . . . A 30 ILE CD1 . 17912 1 319 . 1 1 30 30 ILE N N 15 121.551 0.041 . 1 . . . A 30 ILE N . 17912 1 320 . 1 1 31 31 VAL H H 1 9.325 0.008 . 1 . . . A 31 VAL H . 17912 1 321 . 1 1 31 31 VAL HA H 1 4.861 0.008 . 1 . . . A 31 VAL HA . 17912 1 322 . 1 1 31 31 VAL HB H 1 1.632 0.004 . 1 . . . A 31 VAL HB . 17912 1 323 . 1 1 31 31 VAL HG11 H 1 0.619 0.006 . 2 . . . A 31 VAL HG11 . 17912 1 324 . 1 1 31 31 VAL HG12 H 1 0.619 0.006 . 2 . . . A 31 VAL HG11 . 17912 1 325 . 1 1 31 31 VAL HG13 H 1 0.619 0.006 . 2 . . . A 31 VAL HG11 . 17912 1 326 . 1 1 31 31 VAL HG21 H 1 0.573 0.009 . 2 . . . A 31 VAL HG21 . 17912 1 327 . 1 1 31 31 VAL HG22 H 1 0.573 0.009 . 2 . . . A 31 VAL HG21 . 17912 1 328 . 1 1 31 31 VAL HG23 H 1 0.573 0.009 . 2 . . . A 31 VAL HG21 . 17912 1 329 . 1 1 31 31 VAL C C 13 174.298 0.000 . 1 . . . A 31 VAL C . 17912 1 330 . 1 1 31 31 VAL CA C 13 59.348 0.014 . 1 . . . A 31 VAL CA . 17912 1 331 . 1 1 31 31 VAL CB C 13 35.556 0.040 . 1 . . . A 31 VAL CB . 17912 1 332 . 1 1 31 31 VAL CG1 C 13 21.187 0.027 . 2 . . . A 31 VAL CG1 . 17912 1 333 . 1 1 31 31 VAL CG2 C 13 20.762 0.041 . 2 . . . A 31 VAL CG2 . 17912 1 334 . 1 1 31 31 VAL N N 15 126.077 0.084 . 1 . . . A 31 VAL N . 17912 1 335 . 1 1 32 32 ASP H H 1 8.648 0.006 . 1 . . . A 32 ASP H . 17912 1 336 . 1 1 32 32 ASP HA H 1 5.399 0.007 . 1 . . . A 32 ASP HA . 17912 1 337 . 1 1 32 32 ASP HB2 H 1 2.602 0.007 . 2 . . . A 32 ASP HB2 . 17912 1 338 . 1 1 32 32 ASP C C 13 175.878 0.000 . 1 . . . A 32 ASP C . 17912 1 339 . 1 1 32 32 ASP CA C 13 54.058 0.063 . 1 . . . A 32 ASP CA . 17912 1 340 . 1 1 32 32 ASP CB C 13 42.186 0.029 . 1 . . . A 32 ASP CB . 17912 1 341 . 1 1 32 32 ASP N N 15 125.845 0.050 . 1 . . . A 32 ASP N . 17912 1 342 . 1 1 33 33 VAL H H 1 9.417 0.005 . 1 . . . A 33 VAL H . 17912 1 343 . 1 1 33 33 VAL HA H 1 4.225 0.008 . 1 . . . A 33 VAL HA . 17912 1 344 . 1 1 33 33 VAL HB H 1 2.237 0.013 . 1 . . . A 33 VAL HB . 17912 1 345 . 1 1 33 33 VAL HG11 H 1 0.891 0.010 . 2 . . . A 33 VAL HG11 . 17912 1 346 . 1 1 33 33 VAL HG12 H 1 0.891 0.010 . 2 . . . A 33 VAL HG11 . 17912 1 347 . 1 1 33 33 VAL HG13 H 1 0.891 0.010 . 2 . . . A 33 VAL HG11 . 17912 1 348 . 1 1 33 33 VAL HG21 H 1 0.596 0.010 . 2 . . . A 33 VAL HG21 . 17912 1 349 . 1 1 33 33 VAL HG22 H 1 0.596 0.010 . 2 . . . A 33 VAL HG21 . 17912 1 350 . 1 1 33 33 VAL HG23 H 1 0.596 0.010 . 2 . . . A 33 VAL HG21 . 17912 1 351 . 1 1 33 33 VAL C C 13 174.990 0.000 . 1 . . . A 33 VAL C . 17912 1 352 . 1 1 33 33 VAL CA C 13 64.187 0.038 . 1 . . . A 33 VAL CA . 17912 1 353 . 1 1 33 33 VAL CB C 13 33.269 0.048 . 1 . . . A 33 VAL CB . 17912 1 354 . 1 1 33 33 VAL CG1 C 13 24.447 0.044 . 2 . . . A 33 VAL CG1 . 17912 1 355 . 1 1 33 33 VAL CG2 C 13 20.976 0.057 . 2 . . . A 33 VAL CG2 . 17912 1 356 . 1 1 33 33 VAL N N 15 127.691 0.041 . 1 . . . A 33 VAL N . 17912 1 357 . 1 1 34 34 MET H H 1 9.372 0.006 . 1 . . . A 34 MET H . 17912 1 358 . 1 1 34 34 MET HA H 1 4.676 0.009 . 1 . . . A 34 MET HA . 17912 1 359 . 1 1 34 34 MET HB2 H 1 2.152 0.008 . 2 . . . A 34 MET HB2 . 17912 1 360 . 1 1 34 34 MET HG2 H 1 2.652 0.004 . 2 . . . A 34 MET HG2 . 17912 1 361 . 1 1 34 34 MET HE1 H 1 0.767 0.004 . 1 . . . A 34 MET HE1 . 17912 1 362 . 1 1 34 34 MET HE2 H 1 0.767 0.004 . 1 . . . A 34 MET HE1 . 17912 1 363 . 1 1 34 34 MET HE3 H 1 0.767 0.004 . 1 . . . A 34 MET HE1 . 17912 1 364 . 1 1 34 34 MET C C 13 175.448 0.000 . 1 . . . A 34 MET C . 17912 1 365 . 1 1 34 34 MET CA C 13 56.116 0.064 . 1 . . . A 34 MET CA . 17912 1 366 . 1 1 34 34 MET CB C 13 35.470 0.102 . 1 . . . A 34 MET CB . 17912 1 367 . 1 1 34 34 MET CG C 13 32.118 0.017 . 1 . . . A 34 MET CG . 17912 1 368 . 1 1 34 34 MET N N 15 126.727 0.067 . 1 . . . A 34 MET N . 17912 1 369 . 1 1 35 35 GLU H H 1 7.739 0.006 . 1 . . . A 35 GLU H . 17912 1 370 . 1 1 35 35 GLU HA H 1 4.521 0.010 . 1 . . . A 35 GLU HA . 17912 1 371 . 1 1 35 35 GLU HB2 H 1 1.889 0.007 . 2 . . . A 35 GLU HB2 . 17912 1 372 . 1 1 35 35 GLU HG2 H 1 2.148 0.007 . 2 . . . A 35 GLU HG2 . 17912 1 373 . 1 1 35 35 GLU C C 13 173.316 0.000 . 1 . . . A 35 GLU C . 17912 1 374 . 1 1 35 35 GLU CA C 13 55.788 0.123 . 1 . . . A 35 GLU CA . 17912 1 375 . 1 1 35 35 GLU CB C 13 33.524 0.062 . 1 . . . A 35 GLU CB . 17912 1 376 . 1 1 35 35 GLU CG C 13 36.017 0.089 . 1 . . . A 35 GLU CG . 17912 1 377 . 1 1 35 35 GLU N N 15 118.079 0.068 . 1 . . . A 35 GLU N . 17912 1 378 . 1 1 36 36 LYS H H 1 8.577 0.004 . 1 . . . A 36 LYS H . 17912 1 379 . 1 1 36 36 LYS HA H 1 4.430 0.010 . 1 . . . A 36 LYS HA . 17912 1 380 . 1 1 36 36 LYS HB2 H 1 1.558 0.007 . 2 . . . A 36 LYS HB2 . 17912 1 381 . 1 1 36 36 LYS HG2 H 1 0.791 0.005 . 2 . . . A 36 LYS HG2 . 17912 1 382 . 1 1 36 36 LYS HG3 H 1 -0.074 0.063 . 2 . . . A 36 LYS HG3 . 17912 1 383 . 1 1 36 36 LYS HD2 H 1 1.328 0.004 . 2 . . . A 36 LYS HD2 . 17912 1 384 . 1 1 36 36 LYS HE2 H 1 2.533 0.002 . 2 . . . A 36 LYS HE2 . 17912 1 385 . 1 1 36 36 LYS C C 13 175.797 0.000 . 1 . . . A 36 LYS C . 17912 1 386 . 1 1 36 36 LYS CA C 13 55.560 0.039 . 1 . . . A 36 LYS CA . 17912 1 387 . 1 1 36 36 LYS CB C 13 32.974 0.036 . 1 . . . A 36 LYS CB . 17912 1 388 . 1 1 36 36 LYS CG C 13 23.754 0.030 . 1 . . . A 36 LYS CG . 17912 1 389 . 1 1 36 36 LYS CD C 13 29.474 0.042 . 1 . . . A 36 LYS CD . 17912 1 390 . 1 1 36 36 LYS N N 15 124.081 0.045 . 1 . . . A 36 LYS N . 17912 1 391 . 1 1 37 37 CYS H H 1 8.675 0.003 . 1 . . . A 37 CYS H . 17912 1 392 . 1 1 37 37 CYS HA H 1 4.599 0.007 . 1 . . . A 37 CYS HA . 17912 1 393 . 1 1 37 37 CYS HB2 H 1 3.325 0.008 . 2 . . . A 37 CYS HB2 . 17912 1 394 . 1 1 37 37 CYS HB3 H 1 3.174 0.008 . 2 . . . A 37 CYS HB3 . 17912 1 395 . 1 1 37 37 CYS C C 13 176.540 0.000 . 1 . . . A 37 CYS C . 17912 1 396 . 1 1 37 37 CYS CA C 13 58.542 0.040 . 1 . . . A 37 CYS CA . 17912 1 397 . 1 1 37 37 CYS CB C 13 29.399 0.065 . 1 . . . A 37 CYS CB . 17912 1 398 . 1 1 37 37 CYS N N 15 122.585 0.055 . 1 . . . A 37 CYS N . 17912 1 399 . 1 1 38 38 ASP H H 1 9.039 0.007 . 1 . . . A 38 ASP H . 17912 1 400 . 1 1 38 38 ASP HA H 1 4.435 0.005 . 1 . . . A 38 ASP HA . 17912 1 401 . 1 1 38 38 ASP HB2 H 1 2.732 0.005 . 2 . . . A 38 ASP HB2 . 17912 1 402 . 1 1 38 38 ASP C C 13 176.151 0.000 . 1 . . . A 38 ASP C . 17912 1 403 . 1 1 38 38 ASP CA C 13 56.722 0.015 . 1 . . . A 38 ASP CA . 17912 1 404 . 1 1 38 38 ASP CB C 13 40.498 0.000 . 1 . . . A 38 ASP CB . 17912 1 405 . 1 1 38 38 ASP N N 15 123.650 0.022 . 1 . . . A 38 ASP N . 17912 1 406 . 1 1 39 39 ASP H H 1 8.029 0.004 . 1 . . . A 39 ASP H . 17912 1 407 . 1 1 39 39 ASP HA H 1 4.558 0.005 . 1 . . . A 39 ASP HA . 17912 1 408 . 1 1 39 39 ASP HB2 H 1 3.093 0.008 . 2 . . . A 39 ASP HB2 . 17912 1 409 . 1 1 39 39 ASP HB3 H 1 2.635 0.006 . 2 . . . A 39 ASP HB3 . 17912 1 410 . 1 1 39 39 ASP C C 13 177.152 0.000 . 1 . . . A 39 ASP C . 17912 1 411 . 1 1 39 39 ASP CA C 13 53.457 0.039 . 1 . . . A 39 ASP CA . 17912 1 412 . 1 1 39 39 ASP CB C 13 40.102 0.010 . 1 . . . A 39 ASP CB . 17912 1 413 . 1 1 39 39 ASP N N 15 117.104 0.013 . 1 . . . A 39 ASP N . 17912 1 414 . 1 1 40 40 GLY H H 1 8.068 0.011 . 1 . . . A 40 GLY H . 17912 1 415 . 1 1 40 40 GLY HA2 H 1 4.277 0.002 . 2 . . . A 40 GLY HA2 . 17912 1 416 . 1 1 40 40 GLY HA3 H 1 3.736 0.006 . 2 . . . A 40 GLY HA3 . 17912 1 417 . 1 1 40 40 GLY C C 13 174.808 0.000 . 1 . . . A 40 GLY C . 17912 1 418 . 1 1 40 40 GLY CA C 13 45.336 0.008 . 1 . . . A 40 GLY CA . 17912 1 419 . 1 1 40 40 GLY N N 15 106.440 0.062 . 1 . . . A 40 GLY N . 17912 1 420 . 1 1 41 41 TRP H H 1 8.081 0.001 . 1 . . . A 41 TRP H . 17912 1 421 . 1 1 41 41 TRP HA H 1 4.315 0.005 . 1 . . . A 41 TRP HA . 17912 1 422 . 1 1 41 41 TRP HB2 H 1 3.067 0.007 . 2 . . . A 41 TRP HB2 . 17912 1 423 . 1 1 41 41 TRP HB3 H 1 2.870 0.006 . 2 . . . A 41 TRP HB3 . 17912 1 424 . 1 1 41 41 TRP HD1 H 1 6.957 0.002 . 1 . . . A 41 TRP HD1 . 17912 1 425 . 1 1 41 41 TRP HE3 H 1 7.401 0.001 . 1 . . . A 41 TRP HE3 . 17912 1 426 . 1 1 41 41 TRP C C 13 174.465 0.000 . 1 . . . A 41 TRP C . 17912 1 427 . 1 1 41 41 TRP CA C 13 58.274 0.040 . 1 . . . A 41 TRP CA . 17912 1 428 . 1 1 41 41 TRP CB C 13 27.994 0.071 . 1 . . . A 41 TRP CB . 17912 1 429 . 1 1 41 41 TRP N N 15 122.773 0.048 . 1 . . . A 41 TRP N . 17912 1 430 . 1 1 42 42 PHE H H 1 8.665 0.007 . 1 . . . A 42 PHE H . 17912 1 431 . 1 1 42 42 PHE HA H 1 5.341 0.008 . 1 . . . A 42 PHE HA . 17912 1 432 . 1 1 42 42 PHE HB2 H 1 2.570 0.017 . 2 . . . A 42 PHE HB2 . 17912 1 433 . 1 1 42 42 PHE HB3 H 1 1.797 0.007 . 2 . . . A 42 PHE HB3 . 17912 1 434 . 1 1 42 42 PHE HD1 H 1 6.757 0.006 . 3 . . . A 42 PHE HD1 . 17912 1 435 . 1 1 42 42 PHE HE1 H 1 6.894 0.017 . 3 . . . A 42 PHE HE1 . 17912 1 436 . 1 1 42 42 PHE C C 13 175.553 0.000 . 1 . . . A 42 PHE C . 17912 1 437 . 1 1 42 42 PHE CA C 13 52.264 0.028 . 1 . . . A 42 PHE CA . 17912 1 438 . 1 1 42 42 PHE CB C 13 41.401 0.041 . 1 . . . A 42 PHE CB . 17912 1 439 . 1 1 42 42 PHE N N 15 120.693 0.043 . 1 . . . A 42 PHE N . 17912 1 440 . 1 1 43 43 VAL H H 1 8.644 0.005 . 1 . . . A 43 VAL H . 17912 1 441 . 1 1 43 43 VAL HA H 1 4.656 0.006 . 1 . . . A 43 VAL HA . 17912 1 442 . 1 1 43 43 VAL HB H 1 1.871 0.007 . 1 . . . A 43 VAL HB . 17912 1 443 . 1 1 43 43 VAL HG11 H 1 0.741 0.006 . 2 . . . A 43 VAL HG11 . 17912 1 444 . 1 1 43 43 VAL HG12 H 1 0.741 0.006 . 2 . . . A 43 VAL HG11 . 17912 1 445 . 1 1 43 43 VAL HG13 H 1 0.741 0.006 . 2 . . . A 43 VAL HG11 . 17912 1 446 . 1 1 43 43 VAL HG21 H 1 0.787 0.009 . 2 . . . A 43 VAL HG21 . 17912 1 447 . 1 1 43 43 VAL HG22 H 1 0.787 0.009 . 2 . . . A 43 VAL HG21 . 17912 1 448 . 1 1 43 43 VAL HG23 H 1 0.787 0.009 . 2 . . . A 43 VAL HG21 . 17912 1 449 . 1 1 43 43 VAL C C 13 176.743 0.000 . 1 . . . A 43 VAL C . 17912 1 450 . 1 1 43 43 VAL CA C 13 60.952 0.023 . 1 . . . A 43 VAL CA . 17912 1 451 . 1 1 43 43 VAL CB C 13 34.578 0.031 . 1 . . . A 43 VAL CB . 17912 1 452 . 1 1 43 43 VAL CG1 C 13 22.572 0.030 . 2 . . . A 43 VAL CG1 . 17912 1 453 . 1 1 43 43 VAL CG2 C 13 20.693 0.041 . 2 . . . A 43 VAL CG2 . 17912 1 454 . 1 1 43 43 VAL N N 15 119.702 0.079 . 1 . . . A 43 VAL N . 17912 1 455 . 1 1 44 44 GLY H H 1 8.932 0.005 . 1 . . . A 44 GLY H . 17912 1 456 . 1 1 44 44 GLY HA2 H 1 4.665 0.008 . 2 . . . A 44 GLY HA2 . 17912 1 457 . 1 1 44 44 GLY HA3 H 1 4.366 0.006 . 2 . . . A 44 GLY HA3 . 17912 1 458 . 1 1 44 44 GLY C C 13 169.281 0.000 . 1 . . . A 44 GLY C . 17912 1 459 . 1 1 44 44 GLY CA C 13 46.949 0.040 . 1 . . . A 44 GLY CA . 17912 1 460 . 1 1 44 44 GLY N N 15 113.197 0.034 . 1 . . . A 44 GLY N . 17912 1 461 . 1 1 45 45 THR H H 1 8.501 0.007 . 1 . . . A 45 THR H . 17912 1 462 . 1 1 45 45 THR HA H 1 5.559 0.006 . 1 . . . A 45 THR HA . 17912 1 463 . 1 1 45 45 THR HB H 1 4.023 0.007 . 1 . . . A 45 THR HB . 17912 1 464 . 1 1 45 45 THR HG1 H 1 5.685 0.009 . 1 . . . A 45 THR HG1 . 17912 1 465 . 1 1 45 45 THR HG21 H 1 1.141 0.007 . 1 . . . A 45 THR HG21 . 17912 1 466 . 1 1 45 45 THR HG22 H 1 1.141 0.007 . 1 . . . A 45 THR HG21 . 17912 1 467 . 1 1 45 45 THR HG23 H 1 1.141 0.007 . 1 . . . A 45 THR HG21 . 17912 1 468 . 1 1 45 45 THR C C 13 175.202 0.000 . 1 . . . A 45 THR C . 17912 1 469 . 1 1 45 45 THR CA C 13 60.470 0.028 . 1 . . . A 45 THR CA . 17912 1 470 . 1 1 45 45 THR CB C 13 71.148 0.029 . 1 . . . A 45 THR CB . 17912 1 471 . 1 1 45 45 THR CG2 C 13 21.241 0.040 . 1 . . . A 45 THR CG2 . 17912 1 472 . 1 1 45 45 THR N N 15 112.783 0.062 . 1 . . . A 45 THR N . 17912 1 473 . 1 1 46 46 SER H H 1 8.637 0.007 . 1 . . . A 46 SER H . 17912 1 474 . 1 1 46 46 SER HA H 1 4.544 0.008 . 1 . . . A 46 SER HA . 17912 1 475 . 1 1 46 46 SER HB2 H 1 4.136 0.011 . 2 . . . A 46 SER HB2 . 17912 1 476 . 1 1 46 46 SER HB3 H 1 3.907 0.010 . 2 . . . A 46 SER HB3 . 17912 1 477 . 1 1 46 46 SER C C 13 176.997 0.000 . 1 . . . A 46 SER C . 17912 1 478 . 1 1 46 46 SER CA C 13 56.959 0.133 . 1 . . . A 46 SER CA . 17912 1 479 . 1 1 46 46 SER CB C 13 63.941 0.055 . 1 . . . A 46 SER CB . 17912 1 480 . 1 1 46 46 SER N N 15 120.544 0.044 . 1 . . . A 46 SER N . 17912 1 481 . 1 1 47 47 ARG H H 1 9.086 0.008 . 1 . . . A 47 ARG H . 17912 1 482 . 1 1 47 47 ARG HA H 1 4.266 0.009 . 1 . . . A 47 ARG HA . 17912 1 483 . 1 1 47 47 ARG HB2 H 1 1.912 0.011 . 2 . . . A 47 ARG HB2 . 17912 1 484 . 1 1 47 47 ARG HG2 H 1 1.703 0.012 . 2 . . . A 47 ARG HG2 . 17912 1 485 . 1 1 47 47 ARG HD2 H 1 3.199 0.007 . 2 . . . A 47 ARG HD2 . 17912 1 486 . 1 1 47 47 ARG HD3 H 1 2.908 0.009 . 2 . . . A 47 ARG HD3 . 17912 1 487 . 1 1 47 47 ARG C C 13 177.356 0.000 . 1 . . . A 47 ARG C . 17912 1 488 . 1 1 47 47 ARG CA C 13 59.508 0.136 . 1 . . . A 47 ARG CA . 17912 1 489 . 1 1 47 47 ARG CB C 13 30.116 0.050 . 1 . . . A 47 ARG CB . 17912 1 490 . 1 1 47 47 ARG CG C 13 28.613 0.189 . 1 . . . A 47 ARG CG . 17912 1 491 . 1 1 47 47 ARG CD C 13 43.949 0.041 . 1 . . . A 47 ARG CD . 17912 1 492 . 1 1 47 47 ARG N N 15 129.066 0.048 . 1 . . . A 47 ARG N . 17912 1 493 . 1 1 48 48 ARG H H 1 8.533 0.004 . 1 . . . A 48 ARG H . 17912 1 494 . 1 1 48 48 ARG HA H 1 4.273 0.005 . 1 . . . A 48 ARG HA . 17912 1 495 . 1 1 48 48 ARG HB2 H 1 1.856 0.008 . 2 . . . A 48 ARG HB2 . 17912 1 496 . 1 1 48 48 ARG HB3 H 1 1.618 0.008 . 2 . . . A 48 ARG HB3 . 17912 1 497 . 1 1 48 48 ARG HG2 H 1 1.503 0.009 . 2 . . . A 48 ARG HG2 . 17912 1 498 . 1 1 48 48 ARG HG3 H 1 1.430 0.018 . 2 . . . A 48 ARG HG3 . 17912 1 499 . 1 1 48 48 ARG HD2 H 1 3.439 0.009 . 2 . . . A 48 ARG HD2 . 17912 1 500 . 1 1 48 48 ARG HD3 H 1 3.154 0.007 . 2 . . . A 48 ARG HD3 . 17912 1 501 . 1 1 48 48 ARG C C 13 177.895 0.000 . 1 . . . A 48 ARG C . 17912 1 502 . 1 1 48 48 ARG CA C 13 59.240 0.019 . 1 . . . A 48 ARG CA . 17912 1 503 . 1 1 48 48 ARG CB C 13 30.911 0.098 . 1 . . . A 48 ARG CB . 17912 1 504 . 1 1 48 48 ARG CG C 13 27.074 0.052 . 1 . . . A 48 ARG CG . 17912 1 505 . 1 1 48 48 ARG CD C 13 42.231 0.033 . 1 . . . A 48 ARG CD . 17912 1 506 . 1 1 48 48 ARG N N 15 118.892 0.031 . 1 . . . A 48 ARG N . 17912 1 507 . 1 1 49 49 THR H H 1 7.809 0.002 . 1 . . . A 49 THR H . 17912 1 508 . 1 1 49 49 THR HA H 1 4.375 0.003 . 1 . . . A 49 THR HA . 17912 1 509 . 1 1 49 49 THR HB H 1 4.494 0.007 . 1 . . . A 49 THR HB . 17912 1 510 . 1 1 49 49 THR HG1 H 1 5.788 0.004 . 1 . . . A 49 THR HG1 . 17912 1 511 . 1 1 49 49 THR HG21 H 1 1.199 0.007 . 1 . . . A 49 THR HG21 . 17912 1 512 . 1 1 49 49 THR HG22 H 1 1.199 0.007 . 1 . . . A 49 THR HG21 . 17912 1 513 . 1 1 49 49 THR HG23 H 1 1.199 0.007 . 1 . . . A 49 THR HG21 . 17912 1 514 . 1 1 49 49 THR C C 13 176.037 0.000 . 1 . . . A 49 THR C . 17912 1 515 . 1 1 49 49 THR CA C 13 61.513 0.053 . 1 . . . A 49 THR CA . 17912 1 516 . 1 1 49 49 THR CB C 13 70.686 0.039 . 1 . . . A 49 THR CB . 17912 1 517 . 1 1 49 49 THR CG2 C 13 21.337 0.092 . 1 . . . A 49 THR CG2 . 17912 1 518 . 1 1 49 49 THR N N 15 105.127 0.027 . 1 . . . A 49 THR N . 17912 1 519 . 1 1 50 50 LYS H H 1 8.037 0.004 . 1 . . . A 50 LYS H . 17912 1 520 . 1 1 50 50 LYS HA H 1 4.096 0.004 . 1 . . . A 50 LYS HA . 17912 1 521 . 1 1 50 50 LYS HB2 H 1 2.257 0.003 . 2 . . . A 50 LYS HB2 . 17912 1 522 . 1 1 50 50 LYS HB3 H 1 2.113 0.008 . 2 . . . A 50 LYS HB3 . 17912 1 523 . 1 1 50 50 LYS HG2 H 1 1.441 0.005 . 2 . . . A 50 LYS HG2 . 17912 1 524 . 1 1 50 50 LYS HG3 H 1 1.365 0.006 . 2 . . . A 50 LYS HG3 . 17912 1 525 . 1 1 50 50 LYS HD2 H 1 1.684 0.008 . 2 . . . A 50 LYS HD2 . 17912 1 526 . 1 1 50 50 LYS HE2 H 1 3.041 0.007 . 2 . . . A 50 LYS HE2 . 17912 1 527 . 1 1 50 50 LYS C C 13 175.503 0.000 . 1 . . . A 50 LYS C . 17912 1 528 . 1 1 50 50 LYS CA C 13 57.925 0.027 . 1 . . . A 50 LYS CA . 17912 1 529 . 1 1 50 50 LYS CB C 13 29.210 0.044 . 1 . . . A 50 LYS CB . 17912 1 530 . 1 1 50 50 LYS CG C 13 25.304 0.050 . 1 . . . A 50 LYS CG . 17912 1 531 . 1 1 50 50 LYS CD C 13 28.906 0.183 . 1 . . . A 50 LYS CD . 17912 1 532 . 1 1 50 50 LYS CE C 13 42.504 0.051 . 1 . . . A 50 LYS CE . 17912 1 533 . 1 1 50 50 LYS N N 15 115.682 0.045 . 1 . . . A 50 LYS N . 17912 1 534 . 1 1 51 51 GLN H H 1 7.763 0.008 . 1 . . . A 51 GLN H . 17912 1 535 . 1 1 51 51 GLN HA H 1 4.445 0.013 . 1 . . . A 51 GLN HA . 17912 1 536 . 1 1 51 51 GLN HB2 H 1 2.188 0.007 . 2 . . . A 51 GLN HB2 . 17912 1 537 . 1 1 51 51 GLN HB3 H 1 1.922 0.006 . 2 . . . A 51 GLN HB3 . 17912 1 538 . 1 1 51 51 GLN HG2 H 1 2.475 0.008 . 2 . . . A 51 GLN HG2 . 17912 1 539 . 1 1 51 51 GLN HG3 H 1 2.438 0.012 . 2 . . . A 51 GLN HG3 . 17912 1 540 . 1 1 51 51 GLN HE21 H 1 7.562 0.000 . 2 . . . A 51 GLN HE21 . 17912 1 541 . 1 1 51 51 GLN HE22 H 1 7.001 0.000 . 2 . . . A 51 GLN HE22 . 17912 1 542 . 1 1 51 51 GLN C C 13 173.051 0.000 . 1 . . . A 51 GLN C . 17912 1 543 . 1 1 51 51 GLN CA C 13 55.634 0.031 . 1 . . . A 51 GLN CA . 17912 1 544 . 1 1 51 51 GLN CB C 13 29.853 0.042 . 1 . . . A 51 GLN CB . 17912 1 545 . 1 1 51 51 GLN CG C 13 34.149 0.050 . 1 . . . A 51 GLN CG . 17912 1 546 . 1 1 51 51 GLN N N 15 118.240 0.057 . 1 . . . A 51 GLN N . 17912 1 547 . 1 1 51 51 GLN NE2 N 15 113.307 0.002 . 1 . . . A 51 GLN NE2 . 17912 1 548 . 1 1 52 52 PHE H H 1 8.566 0.007 . 1 . . . A 52 PHE H . 17912 1 549 . 1 1 52 52 PHE HA H 1 5.695 0.004 . 1 . . . A 52 PHE HA . 17912 1 550 . 1 1 52 52 PHE HB2 H 1 3.106 0.004 . 2 . . . A 52 PHE HB2 . 17912 1 551 . 1 1 52 52 PHE HB3 H 1 2.949 0.008 . 2 . . . A 52 PHE HB3 . 17912 1 552 . 1 1 52 52 PHE HD1 H 1 7.253 0.004 . 3 . . . A 52 PHE HD1 . 17912 1 553 . 1 1 52 52 PHE C C 13 175.869 0.000 . 1 . . . A 52 PHE C . 17912 1 554 . 1 1 52 52 PHE CA C 13 55.531 0.036 . 1 . . . A 52 PHE CA . 17912 1 555 . 1 1 52 52 PHE CB C 13 43.175 0.027 . 1 . . . A 52 PHE CB . 17912 1 556 . 1 1 52 52 PHE N N 15 122.141 0.036 . 1 . . . A 52 PHE N . 17912 1 557 . 1 1 53 53 GLY H H 1 8.561 0.005 . 1 . . . A 53 GLY H . 17912 1 558 . 1 1 53 53 GLY HA2 H 1 4.022 0.012 . 2 . . . A 53 GLY HA2 . 17912 1 559 . 1 1 53 53 GLY HA3 H 1 3.943 0.014 . 2 . . . A 53 GLY HA3 . 17912 1 560 . 1 1 53 53 GLY C C 13 170.867 0.000 . 1 . . . A 53 GLY C . 17912 1 561 . 1 1 53 53 GLY CA C 13 45.757 0.038 . 1 . . . A 53 GLY CA . 17912 1 562 . 1 1 53 53 GLY N N 15 112.949 0.045 . 1 . . . A 53 GLY N . 17912 1 563 . 1 1 54 54 THR H H 1 8.493 0.005 . 1 . . . A 54 THR H . 17912 1 564 . 1 1 54 54 THR HA H 1 5.973 0.006 . 1 . . . A 54 THR HA . 17912 1 565 . 1 1 54 54 THR HB H 1 4.096 0.004 . 1 . . . A 54 THR HB . 17912 1 566 . 1 1 54 54 THR HG1 H 1 5.297 0.007 . 1 . . . A 54 THR HG1 . 17912 1 567 . 1 1 54 54 THR HG21 H 1 1.189 0.005 . 1 . . . A 54 THR HG21 . 17912 1 568 . 1 1 54 54 THR HG22 H 1 1.189 0.005 . 1 . . . A 54 THR HG21 . 17912 1 569 . 1 1 54 54 THR HG23 H 1 1.189 0.005 . 1 . . . A 54 THR HG21 . 17912 1 570 . 1 1 54 54 THR C C 13 173.257 0.000 . 1 . . . A 54 THR C . 17912 1 571 . 1 1 54 54 THR CA C 13 58.605 0.021 . 1 . . . A 54 THR CA . 17912 1 572 . 1 1 54 54 THR CB C 13 71.662 0.053 . 1 . . . A 54 THR CB . 17912 1 573 . 1 1 54 54 THR CG2 C 13 20.772 0.065 . 1 . . . A 54 THR CG2 . 17912 1 574 . 1 1 54 54 THR N N 15 112.887 0.022 . 1 . . . A 54 THR N . 17912 1 575 . 1 1 55 55 PHE H H 1 8.254 0.006 . 1 . . . A 55 PHE H . 17912 1 576 . 1 1 55 55 PHE HA H 1 4.642 0.009 . 1 . . . A 55 PHE HA . 17912 1 577 . 1 1 55 55 PHE HB2 H 1 3.215 0.007 . 2 . . . A 55 PHE HB2 . 17912 1 578 . 1 1 55 55 PHE HB3 H 1 2.169 0.008 . 2 . . . A 55 PHE HB3 . 17912 1 579 . 1 1 55 55 PHE HD1 H 1 6.777 0.006 . 3 . . . A 55 PHE HD1 . 17912 1 580 . 1 1 55 55 PHE HE1 H 1 7.376 0.000 . 3 . . . A 55 PHE HE1 . 17912 1 581 . 1 1 55 55 PHE CA C 13 55.409 0.021 . 1 . . . A 55 PHE CA . 17912 1 582 . 1 1 55 55 PHE CB C 13 36.711 0.056 . 1 . . . A 55 PHE CB . 17912 1 583 . 1 1 55 55 PHE N N 15 120.587 0.043 . 1 . . . A 55 PHE N . 17912 1 584 . 1 1 56 56 PRO HA H 1 2.804 0.005 . 1 . . . A 56 PRO HA . 17912 1 585 . 1 1 56 56 PRO HB2 H 1 1.434 0.004 . 2 . . . A 56 PRO HB2 . 17912 1 586 . 1 1 56 56 PRO HB3 H 1 1.141 0.009 . 2 . . . A 56 PRO HB3 . 17912 1 587 . 1 1 56 56 PRO HG2 H 1 0.746 0.006 . 2 . . . A 56 PRO HG2 . 17912 1 588 . 1 1 56 56 PRO HG3 H 1 0.177 0.006 . 2 . . . A 56 PRO HG3 . 17912 1 589 . 1 1 56 56 PRO HD2 H 1 1.853 0.012 . 2 . . . A 56 PRO HD2 . 17912 1 590 . 1 1 56 56 PRO HD3 H 1 1.796 0.006 . 2 . . . A 56 PRO HD3 . 17912 1 591 . 1 1 56 56 PRO C C 13 178.203 0.000 . 1 . . . A 56 PRO C . 17912 1 592 . 1 1 56 56 PRO CA C 13 62.073 0.071 . 1 . . . A 56 PRO CA . 17912 1 593 . 1 1 56 56 PRO CB C 13 30.616 0.086 . 1 . . . A 56 PRO CB . 17912 1 594 . 1 1 56 56 PRO CG C 13 27.157 0.045 . 1 . . . A 56 PRO CG . 17912 1 595 . 1 1 56 56 PRO CD C 13 49.043 0.028 . 1 . . . A 56 PRO CD . 17912 1 596 . 1 1 57 57 GLY H H 1 7.812 0.007 . 1 . . . A 57 GLY H . 17912 1 597 . 1 1 57 57 GLY HA2 H 1 2.438 0.006 . 2 . . . A 57 GLY HA2 . 17912 1 598 . 1 1 57 57 GLY HA3 H 1 2.329 0.005 . 2 . . . A 57 GLY HA3 . 17912 1 599 . 1 1 57 57 GLY C C 13 174.153 0.000 . 1 . . . A 57 GLY C . 17912 1 600 . 1 1 57 57 GLY CA C 13 45.295 0.024 . 1 . . . A 57 GLY CA . 17912 1 601 . 1 1 57 57 GLY N N 15 112.103 0.039 . 1 . . . A 57 GLY N . 17912 1 602 . 1 1 58 58 ASN H H 1 8.024 0.005 . 1 . . . A 58 ASN H . 17912 1 603 . 1 1 58 58 ASN HA H 1 4.602 0.007 . 1 . . . A 58 ASN HA . 17912 1 604 . 1 1 58 58 ASN HB2 H 1 2.900 0.003 . 2 . . . A 58 ASN HB2 . 17912 1 605 . 1 1 58 58 ASN HB3 H 1 2.652 0.005 . 2 . . . A 58 ASN HB3 . 17912 1 606 . 1 1 58 58 ASN C C 13 175.621 0.000 . 1 . . . A 58 ASN C . 17912 1 607 . 1 1 58 58 ASN CA C 13 53.590 0.000 . 1 . . . A 58 ASN CA . 17912 1 608 . 1 1 58 58 ASN CB C 13 36.235 0.027 . 1 . . . A 58 ASN CB . 17912 1 609 . 1 1 58 58 ASN N N 15 113.060 0.075 . 1 . . . A 58 ASN N . 17912 1 610 . 1 1 59 59 TYR H H 1 7.782 0.006 . 1 . . . A 59 TYR H . 17912 1 611 . 1 1 59 59 TYR HA H 1 4.477 0.004 . 1 . . . A 59 TYR HA . 17912 1 612 . 1 1 59 59 TYR HB2 H 1 3.208 0.007 . 2 . . . A 59 TYR HB2 . 17912 1 613 . 1 1 59 59 TYR HB3 H 1 3.089 0.005 . 2 . . . A 59 TYR HB3 . 17912 1 614 . 1 1 59 59 TYR HD2 H 1 7.037 0.007 . 3 . . . A 59 TYR HD2 . 17912 1 615 . 1 1 59 59 TYR HE2 H 1 6.770 0.006 . 3 . . . A 59 TYR HE2 . 17912 1 616 . 1 1 59 59 TYR C C 13 175.251 0.000 . 1 . . . A 59 TYR C . 17912 1 617 . 1 1 59 59 TYR CA C 13 59.528 0.056 . 1 . . . A 59 TYR CA . 17912 1 618 . 1 1 59 59 TYR CB C 13 38.319 0.043 . 1 . . . A 59 TYR CB . 17912 1 619 . 1 1 59 59 TYR N N 15 118.964 0.063 . 1 . . . A 59 TYR N . 17912 1 620 . 1 1 60 60 VAL H H 1 7.512 0.007 . 1 . . . A 60 VAL H . 17912 1 621 . 1 1 60 60 VAL HA H 1 5.509 0.005 . 1 . . . A 60 VAL HA . 17912 1 622 . 1 1 60 60 VAL HB H 1 2.212 0.007 . 1 . . . A 60 VAL HB . 17912 1 623 . 1 1 60 60 VAL HG11 H 1 0.627 0.010 . 2 . . . A 60 VAL HG11 . 17912 1 624 . 1 1 60 60 VAL HG12 H 1 0.627 0.010 . 2 . . . A 60 VAL HG11 . 17912 1 625 . 1 1 60 60 VAL HG13 H 1 0.627 0.010 . 2 . . . A 60 VAL HG11 . 17912 1 626 . 1 1 60 60 VAL HG21 H 1 0.965 0.007 . 2 . . . A 60 VAL HG21 . 17912 1 627 . 1 1 60 60 VAL HG22 H 1 0.965 0.007 . 2 . . . A 60 VAL HG21 . 17912 1 628 . 1 1 60 60 VAL HG23 H 1 0.965 0.007 . 2 . . . A 60 VAL HG21 . 17912 1 629 . 1 1 60 60 VAL C C 13 173.950 0.000 . 1 . . . A 60 VAL C . 17912 1 630 . 1 1 60 60 VAL CA C 13 58.301 0.013 . 1 . . . A 60 VAL CA . 17912 1 631 . 1 1 60 60 VAL CB C 13 36.827 0.056 . 1 . . . A 60 VAL CB . 17912 1 632 . 1 1 60 60 VAL CG1 C 13 21.135 0.035 . 2 . . . A 60 VAL CG1 . 17912 1 633 . 1 1 60 60 VAL CG2 C 13 20.830 0.039 . 2 . . . A 60 VAL CG2 . 17912 1 634 . 1 1 60 60 VAL N N 15 108.904 0.039 . 1 . . . A 60 VAL N . 17912 1 635 . 1 1 61 61 LYS H H 1 8.980 0.007 . 1 . . . A 61 LYS H . 17912 1 636 . 1 1 61 61 LYS HA H 1 5.267 0.009 . 1 . . . A 61 LYS HA . 17912 1 637 . 1 1 61 61 LYS HB2 H 1 1.919 0.013 . 2 . . . A 61 LYS HB2 . 17912 1 638 . 1 1 61 61 LYS HB3 H 1 1.786 0.009 . 2 . . . A 61 LYS HB3 . 17912 1 639 . 1 1 61 61 LYS HG2 H 1 1.424 0.008 . 2 . . . A 61 LYS HG2 . 17912 1 640 . 1 1 61 61 LYS HG3 H 1 1.361 0.011 . 2 . . . A 61 LYS HG3 . 17912 1 641 . 1 1 61 61 LYS HD2 H 1 1.669 0.010 . 2 . . . A 61 LYS HD2 . 17912 1 642 . 1 1 61 61 LYS HE2 H 1 2.869 0.000 . 2 . . . A 61 LYS HE2 . 17912 1 643 . 1 1 61 61 LYS HE3 H 1 3.756 0.000 . 2 . . . A 61 LYS HE3 . 17912 1 644 . 1 1 61 61 LYS CA C 13 52.637 0.054 . 1 . . . A 61 LYS CA . 17912 1 645 . 1 1 61 61 LYS CB C 13 34.793 0.042 . 1 . . . A 61 LYS CB . 17912 1 646 . 1 1 61 61 LYS N N 15 118.497 0.060 . 1 . . . A 61 LYS N . 17912 1 647 . 1 1 62 62 PRO HA H 1 3.619 0.025 . 1 . . . A 62 PRO HA . 17912 1 648 . 1 1 62 62 PRO HB2 H 1 1.727 0.009 . 2 . . . A 62 PRO HB2 . 17912 1 649 . 1 1 62 62 PRO HB3 H 1 1.398 0.014 . 2 . . . A 62 PRO HB3 . 17912 1 650 . 1 1 62 62 PRO HG2 H 1 2.043 0.015 . 2 . . . A 62 PRO HG2 . 17912 1 651 . 1 1 62 62 PRO HG3 H 1 1.959 0.008 . 2 . . . A 62 PRO HG3 . 17912 1 652 . 1 1 62 62 PRO HD2 H 1 3.926 0.009 . 2 . . . A 62 PRO HD2 . 17912 1 653 . 1 1 62 62 PRO HD3 H 1 3.772 0.007 . 2 . . . A 62 PRO HD3 . 17912 1 654 . 1 1 62 62 PRO C C 13 176.069 0.000 . 1 . . . A 62 PRO C . 17912 1 655 . 1 1 62 62 PRO CA C 13 63.271 0.082 . 1 . . . A 62 PRO CA . 17912 1 656 . 1 1 62 62 PRO CB C 13 31.976 0.046 . 1 . . . A 62 PRO CB . 17912 1 657 . 1 1 62 62 PRO CG C 13 27.548 0.063 . 1 . . . A 62 PRO CG . 17912 1 658 . 1 1 62 62 PRO CD C 13 50.736 0.024 . 1 . . . A 62 PRO CD . 17912 1 659 . 1 1 63 63 LEU H H 1 7.961 0.010 . 1 . . . A 63 LEU H . 17912 1 660 . 1 1 63 63 LEU HA H 1 4.240 0.009 . 1 . . . A 63 LEU HA . 17912 1 661 . 1 1 63 63 LEU HB2 H 1 1.312 0.013 . 2 . . . A 63 LEU HB2 . 17912 1 662 . 1 1 63 63 LEU HB3 H 1 1.187 0.012 . 2 . . . A 63 LEU HB3 . 17912 1 663 . 1 1 63 63 LEU HG H 1 1.269 0.018 . 1 . . . A 63 LEU HG . 17912 1 664 . 1 1 63 63 LEU HD11 H 1 0.784 0.007 . 2 . . . A 63 LEU HD11 . 17912 1 665 . 1 1 63 63 LEU HD12 H 1 0.784 0.007 . 2 . . . A 63 LEU HD11 . 17912 1 666 . 1 1 63 63 LEU HD13 H 1 0.784 0.007 . 2 . . . A 63 LEU HD11 . 17912 1 667 . 1 1 63 63 LEU C C 13 176.177 0.000 . 1 . . . A 63 LEU C . 17912 1 668 . 1 1 63 63 LEU CA C 13 54.882 0.090 . 1 . . . A 63 LEU CA . 17912 1 669 . 1 1 63 63 LEU CB C 13 42.964 0.041 . 1 . . . A 63 LEU CB . 17912 1 670 . 1 1 63 63 LEU CG C 13 27.033 0.025 . 1 . . . A 63 LEU CG . 17912 1 671 . 1 1 63 63 LEU CD1 C 13 24.450 0.058 . 2 . . . A 63 LEU CD1 . 17912 1 672 . 1 1 63 63 LEU N N 15 122.887 0.063 . 1 . . . A 63 LEU N . 17912 1 673 . 1 1 64 64 TYR H H 1 8.085 0.006 . 1 . . . A 64 TYR H . 17912 1 674 . 1 1 64 64 TYR HA H 1 4.552 0.009 . 1 . . . A 64 TYR HA . 17912 1 675 . 1 1 64 64 TYR HB2 H 1 2.953 0.017 . 2 . . . A 64 TYR HB2 . 17912 1 676 . 1 1 64 64 TYR HB3 H 1 2.891 0.007 . 2 . . . A 64 TYR HB3 . 17912 1 677 . 1 1 64 64 TYR HD1 H 1 7.036 0.002 . 3 . . . A 64 TYR HD1 . 17912 1 678 . 1 1 64 64 TYR HE1 H 1 6.731 0.005 . 3 . . . A 64 TYR HE1 . 17912 1 679 . 1 1 64 64 TYR C C 13 175.025 0.000 . 1 . . . A 64 TYR C . 17912 1 680 . 1 1 64 64 TYR CB C 13 38.767 0.030 . 1 . . . A 64 TYR CB . 17912 1 681 . 1 1 64 64 TYR N N 15 120.687 0.058 . 1 . . . A 64 TYR N . 17912 1 682 . 1 1 65 65 LEU H H 1 7.996 0.006 . 1 . . . A 65 LEU H . 17912 1 683 . 1 1 65 65 LEU HA H 1 4.297 0.002 . 1 . . . A 65 LEU HA . 17912 1 684 . 1 1 65 65 LEU HB2 H 1 1.474 0.003 . 2 . . . A 65 LEU HB2 . 17912 1 685 . 1 1 65 65 LEU HB3 H 1 1.317 0.000 . 2 . . . A 65 LEU HB3 . 17912 1 686 . 1 1 65 65 LEU HD11 H 1 0.816 0.000 . 2 . . . A 65 LEU HD11 . 17912 1 687 . 1 1 65 65 LEU HD12 H 1 0.816 0.000 . 2 . . . A 65 LEU HD11 . 17912 1 688 . 1 1 65 65 LEU HD13 H 1 0.816 0.000 . 2 . . . A 65 LEU HD11 . 17912 1 689 . 1 1 65 65 LEU C C 13 176.648 0.000 . 1 . . . A 65 LEU C . 17912 1 690 . 1 1 65 65 LEU CB C 13 42.801 0.021 . 1 . . . A 65 LEU CB . 17912 1 691 . 1 1 65 65 LEU N N 15 123.853 0.034 . 1 . . . A 65 LEU N . 17912 1 stop_ save_