data_5329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5329 _Entry.Title ; Backbone and Side Chain 1H, 13C, and 15N chemical shift assignments for conserved eukaryotic protein ZK652.3 from C. elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-20 _Entry.Accession_date 2002-03-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cort . R. . 5329 2 Yiwen Chiang . . . 5329 3 Zheng Deyou . . . 5329 4 Gaetano Montelione . T. . 5329 5 Michael Kennedy . A. . 5329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 5329 '1H chemical shifts' 527 5329 '15N chemical shifts' 85 5329 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 2 . . 2009-07-15 2002-03-20 update BMRB 'added time domain data' 5329 1 . . 2003-01-06 2002-03-20 original author 'original release' 5329 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5329 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22199947 _Citation.DOI . _Citation.PubMed_ID 12211038 _Citation.Full_citation . _Citation.Title ; NMR Structure of Conserved Eukaryotic Protein ZK652.3 from C. elegans: A Ubiquitin-like fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 4 _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 733 _Citation.Page_last 736 _Citation.Year 2002 _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 John Cort . R. . 5329 1 2 Yiwen Chiang . . . 5329 1 3 Deyou Zheng . . . 5329 1 4 Gaetano Montelione . T. . 5329 1 5 Michael Kennedy . A. . 5329 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NESG, Northeast Structural Genomics' 5329 1 'Consortium Structural Genomics' 5329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ZK652.3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ZK652.3 _Assembly.Entry_ID 5329 _Assembly.ID 1 _Assembly.Name 'C. elegans protein ZK652.3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5329 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ZK652.3 1 $ZK652.3 . . . native . . . . . 5329 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 1L7Y . . . . . . 5329 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C. elegans protein ZK652.3' system 5329 1 ZK652.3 abbreviation 5329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZK652.3 _Entity.Sf_category entity _Entity.Sf_framecode ZK652.3 _Entity.Entry_ID 5329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZK652.3 _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 ; MSGGTAATTAGSKVTFKITL TSDPKLPFKVLSVPESTPFT AVLKFAAEEFKVPAATSAII TNDGVGVNPAQPAGNIFLKH GSELRLIPRDRVGH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9800 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1L7Y . "Solution Nmr Structure Of C. Elegans Protein Zk652.3. Northeast Structural Genomics Consortium Target Wr41." . . . . . 100.00 94 100.00 100.00 7.54e-59 . . . . 5329 1 2 no EMBL CCD62548 . "Protein UFM-1 [Caenorhabditis elegans]" . . . . . 100.00 94 100.00 100.00 7.54e-59 . . . . 5329 1 3 no GB AAG50218 . "3H949 [Caenorhabditis elegans]" . . . . . 100.00 94 100.00 100.00 7.54e-59 . . . . 5329 1 4 no REF NP_498705 . "Protein TAG-277 [Caenorhabditis elegans]" . . . . . 100.00 94 100.00 100.00 7.54e-59 . . . . 5329 1 5 no SP P34661 . "RecName: Full=Ubiquitin-fold modifier 1; Flags: Precursor [Caenorhabditis elegans]" . . . . . 100.00 94 100.00 100.00 7.54e-59 . . . . 5329 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ZK652.3 common 5329 1 ZK652.3 abbreviation 5329 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5329 1 2 . SER . 5329 1 3 . GLY . 5329 1 4 . GLY . 5329 1 5 . THR . 5329 1 6 . ALA . 5329 1 7 . ALA . 5329 1 8 . THR . 5329 1 9 . THR . 5329 1 10 . ALA . 5329 1 11 . GLY . 5329 1 12 . SER . 5329 1 13 . LYS . 5329 1 14 . VAL . 5329 1 15 . THR . 5329 1 16 . PHE . 5329 1 17 . LYS . 5329 1 18 . ILE . 5329 1 19 . THR . 5329 1 20 . LEU . 5329 1 21 . THR . 5329 1 22 . SER . 5329 1 23 . ASP . 5329 1 24 . PRO . 5329 1 25 . LYS . 5329 1 26 . LEU . 5329 1 27 . PRO . 5329 1 28 . PHE . 5329 1 29 . LYS . 5329 1 30 . VAL . 5329 1 31 . LEU . 5329 1 32 . SER . 5329 1 33 . VAL . 5329 1 34 . PRO . 5329 1 35 . GLU . 5329 1 36 . SER . 5329 1 37 . THR . 5329 1 38 . PRO . 5329 1 39 . PHE . 5329 1 40 . THR . 5329 1 41 . ALA . 5329 1 42 . VAL . 5329 1 43 . LEU . 5329 1 44 . LYS . 5329 1 45 . PHE . 5329 1 46 . ALA . 5329 1 47 . ALA . 5329 1 48 . GLU . 5329 1 49 . GLU . 5329 1 50 . PHE . 5329 1 51 . LYS . 5329 1 52 . VAL . 5329 1 53 . PRO . 5329 1 54 . ALA . 5329 1 55 . ALA . 5329 1 56 . THR . 5329 1 57 . SER . 5329 1 58 . ALA . 5329 1 59 . ILE . 5329 1 60 . ILE . 5329 1 61 . THR . 5329 1 62 . ASN . 5329 1 63 . ASP . 5329 1 64 . GLY . 5329 1 65 . VAL . 5329 1 66 . GLY . 5329 1 67 . VAL . 5329 1 68 . ASN . 5329 1 69 . PRO . 5329 1 70 . ALA . 5329 1 71 . GLN . 5329 1 72 . PRO . 5329 1 73 . ALA . 5329 1 74 . GLY . 5329 1 75 . ASN . 5329 1 76 . ILE . 5329 1 77 . PHE . 5329 1 78 . LEU . 5329 1 79 . LYS . 5329 1 80 . HIS . 5329 1 81 . GLY . 5329 1 82 . SER . 5329 1 83 . GLU . 5329 1 84 . LEU . 5329 1 85 . ARG . 5329 1 86 . LEU . 5329 1 87 . ILE . 5329 1 88 . PRO . 5329 1 89 . ARG . 5329 1 90 . ASP . 5329 1 91 . ARG . 5329 1 92 . VAL . 5329 1 93 . GLY . 5329 1 94 . HIS . 5329 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5329 1 . SER 2 2 5329 1 . GLY 3 3 5329 1 . GLY 4 4 5329 1 . THR 5 5 5329 1 . ALA 6 6 5329 1 . ALA 7 7 5329 1 . THR 8 8 5329 1 . THR 9 9 5329 1 . ALA 10 10 5329 1 . GLY 11 11 5329 1 . SER 12 12 5329 1 . LYS 13 13 5329 1 . VAL 14 14 5329 1 . THR 15 15 5329 1 . PHE 16 16 5329 1 . LYS 17 17 5329 1 . ILE 18 18 5329 1 . THR 19 19 5329 1 . LEU 20 20 5329 1 . THR 21 21 5329 1 . SER 22 22 5329 1 . ASP 23 23 5329 1 . PRO 24 24 5329 1 . LYS 25 25 5329 1 . LEU 26 26 5329 1 . PRO 27 27 5329 1 . PHE 28 28 5329 1 . LYS 29 29 5329 1 . VAL 30 30 5329 1 . LEU 31 31 5329 1 . SER 32 32 5329 1 . VAL 33 33 5329 1 . PRO 34 34 5329 1 . GLU 35 35 5329 1 . SER 36 36 5329 1 . THR 37 37 5329 1 . PRO 38 38 5329 1 . PHE 39 39 5329 1 . THR 40 40 5329 1 . ALA 41 41 5329 1 . VAL 42 42 5329 1 . LEU 43 43 5329 1 . LYS 44 44 5329 1 . PHE 45 45 5329 1 . ALA 46 46 5329 1 . ALA 47 47 5329 1 . GLU 48 48 5329 1 . GLU 49 49 5329 1 . PHE 50 50 5329 1 . LYS 51 51 5329 1 . VAL 52 52 5329 1 . PRO 53 53 5329 1 . ALA 54 54 5329 1 . ALA 55 55 5329 1 . THR 56 56 5329 1 . SER 57 57 5329 1 . ALA 58 58 5329 1 . ILE 59 59 5329 1 . ILE 60 60 5329 1 . THR 61 61 5329 1 . ASN 62 62 5329 1 . ASP 63 63 5329 1 . GLY 64 64 5329 1 . VAL 65 65 5329 1 . GLY 66 66 5329 1 . VAL 67 67 5329 1 . ASN 68 68 5329 1 . PRO 69 69 5329 1 . ALA 70 70 5329 1 . GLN 71 71 5329 1 . PRO 72 72 5329 1 . ALA 73 73 5329 1 . GLY 74 74 5329 1 . ASN 75 75 5329 1 . ILE 76 76 5329 1 . PHE 77 77 5329 1 . LEU 78 78 5329 1 . LYS 79 79 5329 1 . HIS 80 80 5329 1 . GLY 81 81 5329 1 . SER 82 82 5329 1 . GLU 83 83 5329 1 . LEU 84 84 5329 1 . ARG 85 85 5329 1 . LEU 86 86 5329 1 . ILE 87 87 5329 1 . PRO 88 88 5329 1 . ARG 89 89 5329 1 . ASP 90 90 5329 1 . ARG 91 91 5329 1 . VAL 92 92 5329 1 . GLY 93 93 5329 1 . HIS 94 94 5329 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 5329 _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 $ZK652.3 . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 5329 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 5329 _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 $ZK652.3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET15b . . . . . . 5329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5329 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZK652.3 '[U-99% 15N]' . . 1 $ZK652.3 . . 0.9 . . mM . . . . 5329 1 2 'ammonium acetate' . . . . . . . 10 . . mm . . . . 5329 1 3 'sodium chloride' . . . . . . . 50 . . mm . . . . 5329 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5329 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZK652.3 '[U-99% 13C; U-99% 15N]' . . 1 $ZK652.3 . . 0.9 . . mM . . . . 5329 2 2 'ammonium acetate' . . . . . . . 10 . . mm . . . . 5329 2 3 'sodium chloride' . . . . . . . 50 . . mm . . . . 5329 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5329 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZK652.3 '[U-10% 13C; U-99% 15N]' . . 1 $ZK652.3 . . 0.9 . . mM . . . . 5329 3 2 'ammonium acetate' . . . . . . . 10 . . mm . . . . 5329 3 3 'sodium chloride' . . . . . . . 50 . . mm . . . . 5329 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5329 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.05 n/a 5329 1 temperature 298 1 K 5329 1 'ionic strength' 0.06 0.005 M 5329 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5329 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5329 1 assignment 5329 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 5329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5329 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5329 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 5329 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5329 _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 VARIAN UNITY . 600 . . . 5329 1 2 spectrometer_2 VARIAN INOVA . 600 . . . 5329 1 3 spectrometer_3 VARIAN INOVA . 750 . . . 5329 1 4 spectrometer_4 VARIAN INOVA . 800 . . . 5329 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 5329 _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' yes 1 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 2 '3D 1H-15N NOESY-HSQC' yes 2 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 3 '3D HNHA' yes 3 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 4 '2D 1H-13C HSQC (aliph)' yes 4 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 5 HNCACB yes 5 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 6 HNCO yes 6 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 7 CBCA(CO)NH yes 7 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 8 CBCACOCAHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 9 HCCH-TOCSY yes 8 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 10 HCC-TOCSY-NNH yes 9 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 11 CCC-TOCSY-NNH yes 10 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 12 '3D CN-NOESY-HSQC' yes 11 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 13 '4D CC-NOESY' yes 12 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 14 '2D 1H-13C HSQC (alpha)' yes 13 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 15 '2D 1H-13C HSQC (alpha Sens. Enhanced)' yes 14 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 16 '2D 1H-13C HSQC (arom)' yes 15 . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 5329 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5329 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5329 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5329 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5329 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5329 1 . . 2 $sample_2 . 5329 1 . . 3 $sample_3 . 5329 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 176.1 0.1 . 1 . . . . . . . . 5329 1 2 . 1 1 1 1 MET CA C 13 55.6 0.1 . 1 . . . . . . . . 5329 1 3 . 1 1 1 1 MET CB C 13 33.0 0.1 . 1 . . . . . . . . 5329 1 4 . 1 1 2 2 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5329 1 5 . 1 1 2 2 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5329 1 6 . 1 1 2 2 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5329 1 7 . 1 1 2 2 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5329 1 8 . 1 1 2 2 SER N N 15 117.1 0.1 . 1 . . . . . . . . 5329 1 9 . 1 1 3 3 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 5329 1 10 . 1 1 3 3 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5329 1 11 . 1 1 3 3 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5329 1 12 . 1 1 3 3 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 5329 1 13 . 1 1 4 4 GLY H H 1 8.29 0.01 . 1 . . . . . . . . 5329 1 14 . 1 1 4 4 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5329 1 15 . 1 1 5 5 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5329 1 16 . 1 1 5 5 THR CA C 13 61.8 0.1 . 1 . . . . . . . . 5329 1 17 . 1 1 5 5 THR CB C 13 69.9 0.1 . 1 . . . . . . . . 5329 1 18 . 1 1 6 6 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 5329 1 19 . 1 1 6 6 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5329 1 20 . 1 1 6 6 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 5329 1 21 . 1 1 6 6 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5329 1 22 . 1 1 6 6 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5329 1 23 . 1 1 7 7 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5329 1 24 . 1 1 7 7 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5329 1 25 . 1 1 7 7 ALA CA C 13 52.7 0.1 . 1 . . . . . . . . 5329 1 26 . 1 1 7 7 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5329 1 27 . 1 1 7 7 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5329 1 28 . 1 1 8 8 THR H H 1 8.11 0.01 . 1 . . . . . . . . 5329 1 29 . 1 1 8 8 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5329 1 30 . 1 1 8 8 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 5329 1 31 . 1 1 8 8 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5329 1 32 . 1 1 8 8 THR N N 15 112.9 0.1 . 1 . . . . . . . . 5329 1 33 . 1 1 9 9 THR H H 1 8.09 0.01 . 1 . . . . . . . . 5329 1 34 . 1 1 9 9 THR C C 13 174.4 0.1 . 1 . . . . . . . . 5329 1 35 . 1 1 9 9 THR CA C 13 61.8 0.1 . 1 . . . . . . . . 5329 1 36 . 1 1 9 9 THR CB C 13 69.9 0.1 . 1 . . . . . . . . 5329 1 37 . 1 1 9 9 THR N N 15 115.9 0.1 . 1 . . . . . . . . 5329 1 38 . 1 1 10 10 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 5329 1 39 . 1 1 10 10 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5329 1 40 . 1 1 10 10 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 5329 1 41 . 1 1 10 10 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5329 1 42 . 1 1 10 10 ALA N N 15 126.6 0.1 . 1 . . . . . . . . 5329 1 43 . 1 1 11 11 GLY H H 1 8.36 0.01 . 1 . . . . . . . . 5329 1 44 . 1 1 11 11 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5329 1 45 . 1 1 11 11 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5329 1 46 . 1 1 11 11 GLY N N 15 108.3 0.1 . 1 . . . . . . . . 5329 1 47 . 1 1 12 12 SER H H 1 8.30 0.01 . 1 . . . . . . . . 5329 1 48 . 1 1 12 12 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 5329 1 49 . 1 1 12 12 SER HB2 H 1 3.85 0.01 . 1 . . . . . . . . 5329 1 50 . 1 1 12 12 SER HB3 H 1 3.85 0.01 . 1 . . . . . . . . 5329 1 51 . 1 1 12 12 SER C C 13 174.0 0.1 . 1 . . . . . . . . 5329 1 52 . 1 1 12 12 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5329 1 53 . 1 1 12 12 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5329 1 54 . 1 1 12 12 SER N N 15 116.1 0.1 . 1 . . . . . . . . 5329 1 55 . 1 1 13 13 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 5329 1 56 . 1 1 13 13 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 5329 1 57 . 1 1 13 13 LYS HB2 H 1 1.41 0.01 . 2 . . . . . . . . 5329 1 58 . 1 1 13 13 LYS HB3 H 1 1.47 0.01 . 2 . . . . . . . . 5329 1 59 . 1 1 13 13 LYS HG2 H 1 0.95 0.01 . 2 . . . . . . . . 5329 1 60 . 1 1 13 13 LYS HG3 H 1 1.35 0.01 . 2 . . . . . . . . 5329 1 61 . 1 1 13 13 LYS HD2 H 1 1.38 0.01 . 2 . . . . . . . . 5329 1 62 . 1 1 13 13 LYS HE2 H 1 2.83 0.01 . 2 . . . . . . . . 5329 1 63 . 1 1 13 13 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 5329 1 64 . 1 1 13 13 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5329 1 65 . 1 1 13 13 LYS CB C 13 34.9 0.1 . 1 . . . . . . . . 5329 1 66 . 1 1 13 13 LYS CG C 13 25.3 0.1 . 1 . . . . . . . . 5329 1 67 . 1 1 13 13 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5329 1 68 . 1 1 13 13 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5329 1 69 . 1 1 14 14 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 5329 1 70 . 1 1 14 14 VAL HA H 1 4.01 0.01 . 1 . . . . . . . . 5329 1 71 . 1 1 14 14 VAL HB H 1 1.07 0.01 . 1 . . . . . . . . 5329 1 72 . 1 1 14 14 VAL HG11 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 73 . 1 1 14 14 VAL HG12 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 74 . 1 1 14 14 VAL HG13 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 75 . 1 1 14 14 VAL HG21 H 1 0.56 0.01 . 1 . . . . . . . . 5329 1 76 . 1 1 14 14 VAL HG22 H 1 0.56 0.01 . 1 . . . . . . . . 5329 1 77 . 1 1 14 14 VAL HG23 H 1 0.56 0.01 . 1 . . . . . . . . 5329 1 78 . 1 1 14 14 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 5329 1 79 . 1 1 14 14 VAL CA C 13 59.2 0.1 . 1 . . . . . . . . 5329 1 80 . 1 1 14 14 VAL CB C 13 33.7 0.1 . 1 . . . . . . . . 5329 1 81 . 1 1 14 14 VAL CG1 C 13 23.0 0.1 . 1 . . . . . . . . 5329 1 82 . 1 1 14 14 VAL CG2 C 13 19.7 0.1 . 1 . . . . . . . . 5329 1 83 . 1 1 14 14 VAL N N 15 116.1 0.1 . 1 . . . . . . . . 5329 1 84 . 1 1 15 15 THR H H 1 7.27 0.01 . 1 . . . . . . . . 5329 1 85 . 1 1 15 15 THR HA H 1 5.05 0.01 . 1 . . . . . . . . 5329 1 86 . 1 1 15 15 THR HB H 1 3.63 0.01 . 1 . . . . . . . . 5329 1 87 . 1 1 15 15 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5329 1 88 . 1 1 15 15 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5329 1 89 . 1 1 15 15 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5329 1 90 . 1 1 15 15 THR C C 13 173.1 0.1 . 1 . . . . . . . . 5329 1 91 . 1 1 15 15 THR CA C 13 61.5 0.1 . 1 . . . . . . . . 5329 1 92 . 1 1 15 15 THR CB C 13 70.9 0.1 . 1 . . . . . . . . 5329 1 93 . 1 1 15 15 THR CG2 C 13 22.0 0.1 . 1 . . . . . . . . 5329 1 94 . 1 1 15 15 THR N N 15 118.2 0.1 . 1 . . . . . . . . 5329 1 95 . 1 1 16 16 PHE H H 1 9.10 0.01 . 1 . . . . . . . . 5329 1 96 . 1 1 16 16 PHE HA H 1 5.45 0.01 . 1 . . . . . . . . 5329 1 97 . 1 1 16 16 PHE HB2 H 1 2.68 0.01 . 2 . . . . . . . . 5329 1 98 . 1 1 16 16 PHE HB3 H 1 3.24 0.01 . 2 . . . . . . . . 5329 1 99 . 1 1 16 16 PHE HD1 H 1 7.44 0.01 . 3 . . . . . . . . 5329 1 100 . 1 1 16 16 PHE HE1 H 1 7.33 0.01 . 3 . . . . . . . . 5329 1 101 . 1 1 16 16 PHE HZ H 1 7.74 0.01 . 1 . . . . . . . . 5329 1 102 . 1 1 16 16 PHE C C 13 173.8 0.1 . 1 . . . . . . . . 5329 1 103 . 1 1 16 16 PHE CA C 13 56.6 0.1 . 1 . . . . . . . . 5329 1 104 . 1 1 16 16 PHE CB C 13 43.7 0.1 . 1 . . . . . . . . 5329 1 105 . 1 1 16 16 PHE CD1 C 13 132.7 0.1 . 3 . . . . . . . . 5329 1 106 . 1 1 16 16 PHE CE1 C 13 131.1 0.1 . 3 . . . . . . . . 5329 1 107 . 1 1 16 16 PHE CZ C 13 129.4 0.1 . 1 . . . . . . . . 5329 1 108 . 1 1 16 16 PHE N N 15 122.9 0.1 . 1 . . . . . . . . 5329 1 109 . 1 1 17 17 LYS H H 1 9.21 0.01 . 1 . . . . . . . . 5329 1 110 . 1 1 17 17 LYS HA H 1 5.12 0.01 . 1 . . . . . . . . 5329 1 111 . 1 1 17 17 LYS HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5329 1 112 . 1 1 17 17 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5329 1 113 . 1 1 17 17 LYS HG2 H 1 1.10 0.01 . 2 . . . . . . . . 5329 1 114 . 1 1 17 17 LYS HG3 H 1 1.27 0.01 . 2 . . . . . . . . 5329 1 115 . 1 1 17 17 LYS HE2 H 1 1.82 0.01 . 2 . . . . . . . . 5329 1 116 . 1 1 17 17 LYS HE3 H 1 2.16 0.01 . 2 . . . . . . . . 5329 1 117 . 1 1 17 17 LYS C C 13 175.1 0.1 . 1 . . . . . . . . 5329 1 118 . 1 1 17 17 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5329 1 119 . 1 1 17 17 LYS CB C 13 34.6 0.1 . 1 . . . . . . . . 5329 1 120 . 1 1 17 17 LYS CG C 13 25.2 0.1 . 1 . . . . . . . . 5329 1 121 . 1 1 17 17 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5329 1 122 . 1 1 17 17 LYS CE C 13 41.1 0.1 . 1 . . . . . . . . 5329 1 123 . 1 1 17 17 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 5329 1 124 . 1 1 18 18 ILE H H 1 9.33 0.01 . 1 . . . . . . . . 5329 1 125 . 1 1 18 18 ILE HA H 1 5.03 0.01 . 1 . . . . . . . . 5329 1 126 . 1 1 18 18 ILE HB H 1 1.99 0.01 . 1 . . . . . . . . 5329 1 127 . 1 1 18 18 ILE HG12 H 1 1.22 0.01 . 2 . . . . . . . . 5329 1 128 . 1 1 18 18 ILE HG13 H 1 1.57 0.01 . 2 . . . . . . . . 5329 1 129 . 1 1 18 18 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5329 1 130 . 1 1 18 18 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5329 1 131 . 1 1 18 18 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5329 1 132 . 1 1 18 18 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 133 . 1 1 18 18 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 134 . 1 1 18 18 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 135 . 1 1 18 18 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 5329 1 136 . 1 1 18 18 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 5329 1 137 . 1 1 18 18 ILE CB C 13 39.6 0.1 . 1 . . . . . . . . 5329 1 138 . 1 1 18 18 ILE CG1 C 13 28.0 0.1 . 1 . . . . . . . . 5329 1 139 . 1 1 18 18 ILE CG2 C 13 19.1 0.1 . 1 . . . . . . . . 5329 1 140 . 1 1 18 18 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 5329 1 141 . 1 1 18 18 ILE N N 15 126.8 0.1 . 1 . . . . . . . . 5329 1 142 . 1 1 19 19 THR H H 1 8.53 0.01 . 1 . . . . . . . . 5329 1 143 . 1 1 19 19 THR HA H 1 5.01 0.01 . 1 . . . . . . . . 5329 1 144 . 1 1 19 19 THR HB H 1 3.91 0.01 . 1 . . . . . . . . 5329 1 145 . 1 1 19 19 THR HG21 H 1 1.06 0.01 . 1 . . . . . . . . 5329 1 146 . 1 1 19 19 THR HG22 H 1 1.06 0.01 . 1 . . . . . . . . 5329 1 147 . 1 1 19 19 THR HG23 H 1 1.06 0.01 . 1 . . . . . . . . 5329 1 148 . 1 1 19 19 THR C C 13 173.5 0.1 . 1 . . . . . . . . 5329 1 149 . 1 1 19 19 THR CA C 13 62.5 0.1 . 1 . . . . . . . . 5329 1 150 . 1 1 19 19 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 5329 1 151 . 1 1 19 19 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5329 1 152 . 1 1 19 19 THR N N 15 124.1 0.1 . 1 . . . . . . . . 5329 1 153 . 1 1 20 20 LEU H H 1 8.39 0.01 . 1 . . . . . . . . 5329 1 154 . 1 1 20 20 LEU HA H 1 4.48 0.01 . 1 . . . . . . . . 5329 1 155 . 1 1 20 20 LEU HB2 H 1 -0.39 0.01 . 2 . . . . . . . . 5329 1 156 . 1 1 20 20 LEU HB3 H 1 1.49 0.01 . 2 . . . . . . . . 5329 1 157 . 1 1 20 20 LEU HG H 1 1.19 0.01 . 1 . . . . . . . . 5329 1 158 . 1 1 20 20 LEU HD11 H 1 0.60 0.01 . 1 . . . . . . . . 5329 1 159 . 1 1 20 20 LEU HD12 H 1 0.60 0.01 . 1 . . . . . . . . 5329 1 160 . 1 1 20 20 LEU HD13 H 1 0.60 0.01 . 1 . . . . . . . . 5329 1 161 . 1 1 20 20 LEU HD21 H 1 0.69 0.01 . 1 . . . . . . . . 5329 1 162 . 1 1 20 20 LEU HD22 H 1 0.69 0.01 . 1 . . . . . . . . 5329 1 163 . 1 1 20 20 LEU HD23 H 1 0.69 0.01 . 1 . . . . . . . . 5329 1 164 . 1 1 20 20 LEU CA C 13 54.0 0.1 . 1 . . . . . . . . 5329 1 165 . 1 1 20 20 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5329 1 166 . 1 1 20 20 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5329 1 167 . 1 1 20 20 LEU CD1 C 13 23.7 0.1 . 1 . . . . . . . . 5329 1 168 . 1 1 20 20 LEU CD2 C 13 26.2 0.1 . 1 . . . . . . . . 5329 1 169 . 1 1 20 20 LEU N N 15 130.0 0.1 . 1 . . . . . . . . 5329 1 170 . 1 1 21 21 THR H H 1 7.69 0.01 . 1 . . . . . . . . 5329 1 171 . 1 1 21 21 THR HA H 1 4.15 0.01 . 1 . . . . . . . . 5329 1 172 . 1 1 21 21 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5329 1 173 . 1 1 21 21 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 5329 1 174 . 1 1 21 21 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 5329 1 175 . 1 1 21 21 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 5329 1 176 . 1 1 21 21 THR C C 13 175.3 0.1 . 1 . . . . . . . . 5329 1 177 . 1 1 21 21 THR CA C 13 64.1 0.1 . 1 . . . . . . . . 5329 1 178 . 1 1 21 21 THR CB C 13 68.6 0.1 . 1 . . . . . . . . 5329 1 179 . 1 1 21 21 THR CG2 C 13 22.6 0.1 . 1 . . . . . . . . 5329 1 180 . 1 1 22 22 SER H H 1 7.46 0.01 . 1 . . . . . . . . 5329 1 181 . 1 1 22 22 SER HA H 1 4.24 0.01 . 1 . . . . . . . . 5329 1 182 . 1 1 22 22 SER HB2 H 1 3.62 0.01 . 2 . . . . . . . . 5329 1 183 . 1 1 22 22 SER HB3 H 1 4.02 0.01 . 2 . . . . . . . . 5329 1 184 . 1 1 22 22 SER C C 13 173.2 0.1 . 1 . . . . . . . . 5329 1 185 . 1 1 22 22 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5329 1 186 . 1 1 22 22 SER CB C 13 62.8 0.1 . 1 . . . . . . . . 5329 1 187 . 1 1 22 22 SER N N 15 112.2 0.1 . 1 . . . . . . . . 5329 1 188 . 1 1 23 23 ASP H H 1 6.81 0.01 . 1 . . . . . . . . 5329 1 189 . 1 1 23 23 ASP HA H 1 5.09 0.01 . 1 . . . . . . . . 5329 1 190 . 1 1 23 23 ASP HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5329 1 191 . 1 1 23 23 ASP HB3 H 1 2.70 0.01 . 2 . . . . . . . . 5329 1 192 . 1 1 23 23 ASP CA C 13 50.4 0.1 . 1 . . . . . . . . 5329 1 193 . 1 1 23 23 ASP CB C 13 44.0 0.1 . 1 . . . . . . . . 5329 1 194 . 1 1 23 23 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 5329 1 195 . 1 1 24 24 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 5329 1 196 . 1 1 24 24 PRO HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5329 1 197 . 1 1 24 24 PRO HB3 H 1 2.38 0.01 . 2 . . . . . . . . 5329 1 198 . 1 1 24 24 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 5329 1 199 . 1 1 24 24 PRO HD2 H 1 3.82 0.01 . 2 . . . . . . . . 5329 1 200 . 1 1 24 24 PRO HD3 H 1 3.89 0.01 . 2 . . . . . . . . 5329 1 201 . 1 1 24 24 PRO C C 13 178.0 0.1 . 1 . . . . . . . . 5329 1 202 . 1 1 24 24 PRO CA C 13 64.2 0.1 . 1 . . . . . . . . 5329 1 203 . 1 1 24 24 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5329 1 204 . 1 1 24 24 PRO CG C 13 26.9 0.1 . 1 . . . . . . . . 5329 1 205 . 1 1 24 24 PRO CD C 13 51.1 0.1 . 1 . . . . . . . . 5329 1 206 . 1 1 25 25 LYS H H 1 8.72 0.01 . 1 . . . . . . . . 5329 1 207 . 1 1 25 25 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 5329 1 208 . 1 1 25 25 LYS HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5329 1 209 . 1 1 25 25 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5329 1 210 . 1 1 25 25 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 5329 1 211 . 1 1 25 25 LYS HD2 H 1 1.70 0.01 . 2 . . . . . . . . 5329 1 212 . 1 1 25 25 LYS CA C 13 57.1 0.1 . 1 . . . . . . . . 5329 1 213 . 1 1 25 25 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5329 1 214 . 1 1 25 25 LYS CG C 13 25.5 0.1 . 1 . . . . . . . . 5329 1 215 . 1 1 25 25 LYS CD C 13 28.7 0.1 . 1 . . . . . . . . 5329 1 216 . 1 1 25 25 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 5329 1 217 . 1 1 28 28 PHE HB2 H 1 2.82 0.01 . 2 . . . . . . . . 5329 1 218 . 1 1 28 28 PHE HB3 H 1 3.12 0.01 . 2 . . . . . . . . 5329 1 219 . 1 1 28 28 PHE HD1 H 1 7.13 0.01 . 3 . . . . . . . . 5329 1 220 . 1 1 28 28 PHE HE1 H 1 7.41 0.01 . 3 . . . . . . . . 5329 1 221 . 1 1 28 28 PHE C C 13 174.9 0.1 . 1 . . . . . . . . 5329 1 222 . 1 1 28 28 PHE CA C 13 55.0 0.1 . 1 . . . . . . . . 5329 1 223 . 1 1 28 28 PHE CB C 13 43.1 0.1 . 1 . . . . . . . . 5329 1 224 . 1 1 28 28 PHE CD1 C 13 132.9 0.1 . 1 . . . . . . . . 5329 1 225 . 1 1 29 29 LYS H H 1 9.05 0.01 . 1 . . . . . . . . 5329 1 226 . 1 1 29 29 LYS HA H 1 4.75 0.01 . 1 . . . . . . . . 5329 1 227 . 1 1 29 29 LYS HB2 H 1 1.41 0.01 . 2 . . . . . . . . 5329 1 228 . 1 1 29 29 LYS HB3 H 1 1.67 0.01 . 2 . . . . . . . . 5329 1 229 . 1 1 29 29 LYS HG2 H 1 0.75 0.01 . 2 . . . . . . . . 5329 1 230 . 1 1 29 29 LYS HG3 H 1 0.99 0.01 . 2 . . . . . . . . 5329 1 231 . 1 1 29 29 LYS HD2 H 1 1.25 0.01 . 2 . . . . . . . . 5329 1 232 . 1 1 29 29 LYS HD3 H 1 1.49 0.01 . 2 . . . . . . . . 5329 1 233 . 1 1 29 29 LYS HE2 H 1 2.46 0.01 . 1 . . . . . . . . 5329 1 234 . 1 1 29 29 LYS HE3 H 1 2.46 0.01 . 1 . . . . . . . . 5329 1 235 . 1 1 29 29 LYS C C 13 175.2 0.1 . 1 . . . . . . . . 5329 1 236 . 1 1 29 29 LYS CA C 13 53.7 0.1 . 1 . . . . . . . . 5329 1 237 . 1 1 29 29 LYS CB C 13 36.1 0.1 . 1 . . . . . . . . 5329 1 238 . 1 1 29 29 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5329 1 239 . 1 1 29 29 LYS CD C 13 27.8 0.1 . 1 . . . . . . . . 5329 1 240 . 1 1 29 29 LYS CE C 13 41.8 0.1 . 1 . . . . . . . . 5329 1 241 . 1 1 29 29 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 5329 1 242 . 1 1 30 30 VAL H H 1 8.71 0.01 . 1 . . . . . . . . 5329 1 243 . 1 1 30 30 VAL HA H 1 5.28 0.01 . 1 . . . . . . . . 5329 1 244 . 1 1 30 30 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 5329 1 245 . 1 1 30 30 VAL HG11 H 1 0.88 0.01 . 2 . . . . . . . . 5329 1 246 . 1 1 30 30 VAL HG12 H 1 0.88 0.01 . 2 . . . . . . . . 5329 1 247 . 1 1 30 30 VAL HG13 H 1 0.88 0.01 . 2 . . . . . . . . 5329 1 248 . 1 1 30 30 VAL HG21 H 1 1.12 0.01 . 2 . . . . . . . . 5329 1 249 . 1 1 30 30 VAL HG22 H 1 1.12 0.01 . 2 . . . . . . . . 5329 1 250 . 1 1 30 30 VAL HG23 H 1 1.12 0.01 . 2 . . . . . . . . 5329 1 251 . 1 1 30 30 VAL C C 13 175.6 0.1 . 1 . . . . . . . . 5329 1 252 . 1 1 30 30 VAL CA C 13 61.5 0.1 . 1 . . . . . . . . 5329 1 253 . 1 1 30 30 VAL CB C 13 33.0 0.1 . 1 . . . . . . . . 5329 1 254 . 1 1 30 30 VAL CG1 C 13 21.1 0.1 . 2 . . . . . . . . 5329 1 255 . 1 1 30 30 VAL CG2 C 13 21.7 0.1 . 2 . . . . . . . . 5329 1 256 . 1 1 30 30 VAL N N 15 124.3 0.1 . 1 . . . . . . . . 5329 1 257 . 1 1 31 31 LEU H H 1 9.14 0.01 . 1 . . . . . . . . 5329 1 258 . 1 1 31 31 LEU HA H 1 4.79 0.01 . 1 . . . . . . . . 5329 1 259 . 1 1 31 31 LEU HB2 H 1 1.51 0.01 . 1 . . . . . . . . 5329 1 260 . 1 1 31 31 LEU HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5329 1 261 . 1 1 31 31 LEU HG H 1 1.49 0.01 . 1 . . . . . . . . 5329 1 262 . 1 1 31 31 LEU HD11 H 1 0.68 0.01 . 1 . . . . . . . . 5329 1 263 . 1 1 31 31 LEU HD12 H 1 0.68 0.01 . 1 . . . . . . . . 5329 1 264 . 1 1 31 31 LEU HD13 H 1 0.68 0.01 . 1 . . . . . . . . 5329 1 265 . 1 1 31 31 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 266 . 1 1 31 31 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 267 . 1 1 31 31 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 268 . 1 1 31 31 LEU C C 13 174.5 0.1 . 1 . . . . . . . . 5329 1 269 . 1 1 31 31 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5329 1 270 . 1 1 31 31 LEU CB C 13 45.6 0.1 . 1 . . . . . . . . 5329 1 271 . 1 1 31 31 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5329 1 272 . 1 1 31 31 LEU CD1 C 13 25.4 0.1 . 1 . . . . . . . . 5329 1 273 . 1 1 31 31 LEU CD2 C 13 25.8 0.1 . 1 . . . . . . . . 5329 1 274 . 1 1 31 31 LEU N N 15 128.0 0.1 . 1 . . . . . . . . 5329 1 275 . 1 1 32 32 SER H H 1 8.57 0.01 . 1 . . . . . . . . 5329 1 276 . 1 1 32 32 SER HA H 1 5.69 0.01 . 1 . . . . . . . . 5329 1 277 . 1 1 32 32 SER HB2 H 1 3.53 0.01 . 1 . . . . . . . . 5329 1 278 . 1 1 32 32 SER HB3 H 1 3.53 0.01 . 1 . . . . . . . . 5329 1 279 . 1 1 32 32 SER C C 13 174.4 0.1 . 1 . . . . . . . . 5329 1 280 . 1 1 32 32 SER CA C 13 56.7 0.1 . 1 . . . . . . . . 5329 1 281 . 1 1 32 32 SER CB C 13 64.3 0.1 . 1 . . . . . . . . 5329 1 282 . 1 1 32 32 SER N N 15 118.6 0.1 . 1 . . . . . . . . 5329 1 283 . 1 1 33 33 VAL H H 1 8.91 0.01 . 1 . . . . . . . . 5329 1 284 . 1 1 33 33 VAL HA H 1 5.03 0.01 . 1 . . . . . . . . 5329 1 285 . 1 1 33 33 VAL HB H 1 2.31 0.01 . 1 . . . . . . . . 5329 1 286 . 1 1 33 33 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 5329 1 287 . 1 1 33 33 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 5329 1 288 . 1 1 33 33 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 5329 1 289 . 1 1 33 33 VAL HG21 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 290 . 1 1 33 33 VAL HG22 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 291 . 1 1 33 33 VAL HG23 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 292 . 1 1 33 33 VAL CA C 13 57.5 0.1 . 1 . . . . . . . . 5329 1 293 . 1 1 33 33 VAL CB C 13 34.4 0.1 . 1 . . . . . . . . 5329 1 294 . 1 1 33 33 VAL CG1 C 13 22.6 0.1 . 1 . . . . . . . . 5329 1 295 . 1 1 33 33 VAL CG2 C 13 18.4 0.1 . 1 . . . . . . . . 5329 1 296 . 1 1 33 33 VAL N N 15 117.6 0.1 . 1 . . . . . . . . 5329 1 297 . 1 1 34 34 PRO HA H 1 4.62 0.01 . 1 . . . . . . . . 5329 1 298 . 1 1 34 34 PRO HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5329 1 299 . 1 1 34 34 PRO HB3 H 1 2.54 0.01 . 2 . . . . . . . . 5329 1 300 . 1 1 34 34 PRO HG2 H 1 1.90 0.01 . 1 . . . . . . . . 5329 1 301 . 1 1 34 34 PRO HD2 H 1 3.70 0.01 . 1 . . . . . . . . 5329 1 302 . 1 1 34 34 PRO HD3 H 1 3.87 0.01 . 1 . . . . . . . . 5329 1 303 . 1 1 34 34 PRO C C 13 179.0 0.1 . 1 . . . . . . . . 5329 1 304 . 1 1 34 34 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5329 1 305 . 1 1 34 34 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5329 1 306 . 1 1 34 34 PRO CG C 13 28.1 0.1 . 1 . . . . . . . . 5329 1 307 . 1 1 34 34 PRO CD C 13 50.7 0.1 . 1 . . . . . . . . 5329 1 308 . 1 1 35 35 GLU H H 1 8.83 0.01 . 1 . . . . . . . . 5329 1 309 . 1 1 35 35 GLU HA H 1 3.87 0.01 . 1 . . . . . . . . 5329 1 310 . 1 1 35 35 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5329 1 311 . 1 1 35 35 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5329 1 312 . 1 1 35 35 GLU HG2 H 1 2.31 0.01 . 2 . . . . . . . . 5329 1 313 . 1 1 35 35 GLU HG3 H 1 2.34 0.01 . 2 . . . . . . . . 5329 1 314 . 1 1 35 35 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5329 1 315 . 1 1 35 35 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5329 1 316 . 1 1 35 35 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5329 1 317 . 1 1 35 35 GLU CG C 13 35.8 0.1 . 1 . . . . . . . . 5329 1 318 . 1 1 35 35 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 5329 1 319 . 1 1 36 36 SER H H 1 7.86 0.01 . 1 . . . . . . . . 5329 1 320 . 1 1 36 36 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5329 1 321 . 1 1 36 36 SER HB2 H 1 4.15 0.01 . 1 . . . . . . . . 5329 1 322 . 1 1 36 36 SER HB3 H 1 4.15 0.01 . 1 . . . . . . . . 5329 1 323 . 1 1 36 36 SER C C 13 175.0 0.1 . 1 . . . . . . . . 5329 1 324 . 1 1 36 36 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5329 1 325 . 1 1 36 36 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 5329 1 326 . 1 1 36 36 SER N N 15 109.7 0.1 . 1 . . . . . . . . 5329 1 327 . 1 1 37 37 THR H H 1 7.89 0.01 . 1 . . . . . . . . 5329 1 328 . 1 1 37 37 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 5329 1 329 . 1 1 37 37 THR HB H 1 4.03 0.01 . 1 . . . . . . . . 5329 1 330 . 1 1 37 37 THR HG21 H 1 1.35 0.01 . 1 . . . . . . . . 5329 1 331 . 1 1 37 37 THR HG22 H 1 1.35 0.01 . 1 . . . . . . . . 5329 1 332 . 1 1 37 37 THR HG23 H 1 1.35 0.01 . 1 . . . . . . . . 5329 1 333 . 1 1 37 37 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 5329 1 334 . 1 1 37 37 THR CB C 13 71.0 0.1 . 1 . . . . . . . . 5329 1 335 . 1 1 37 37 THR CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5329 1 336 . 1 1 37 37 THR N N 15 122.9 0.1 . 1 . . . . . . . . 5329 1 337 . 1 1 38 38 PRO HA H 1 4.54 0.01 . 1 . . . . . . . . 5329 1 338 . 1 1 38 38 PRO HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5329 1 339 . 1 1 38 38 PRO HB3 H 1 2.36 0.01 . 2 . . . . . . . . 5329 1 340 . 1 1 38 38 PRO HG2 H 1 2.10 0.01 . 2 . . . . . . . . 5329 1 341 . 1 1 38 38 PRO HG3 H 1 2.18 0.01 . 2 . . . . . . . . 5329 1 342 . 1 1 38 38 PRO HD2 H 1 3.88 0.01 . 2 . . . . . . . . 5329 1 343 . 1 1 38 38 PRO HD3 H 1 4.05 0.01 . 2 . . . . . . . . 5329 1 344 . 1 1 38 38 PRO C C 13 178.4 0.1 . 1 . . . . . . . . 5329 1 345 . 1 1 38 38 PRO CA C 13 63.0 0.1 . 1 . . . . . . . . 5329 1 346 . 1 1 38 38 PRO CB C 13 32.0 0.1 . 1 . . . . . . . . 5329 1 347 . 1 1 38 38 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . 5329 1 348 . 1 1 38 38 PRO CD C 13 50.9 0.1 . 1 . . . . . . . . 5329 1 349 . 1 1 39 39 PHE H H 1 9.34 0.01 . 1 . . . . . . . . 5329 1 350 . 1 1 39 39 PHE HA H 1 4.00 0.01 . 1 . . . . . . . . 5329 1 351 . 1 1 39 39 PHE HB2 H 1 3.01 0.01 . 2 . . . . . . . . 5329 1 352 . 1 1 39 39 PHE HB3 H 1 3.58 0.01 . 2 . . . . . . . . 5329 1 353 . 1 1 39 39 PHE HD1 H 1 6.78 0.01 . 3 . . . . . . . . 5329 1 354 . 1 1 39 39 PHE HE1 H 1 6.30 0.01 . 3 . . . . . . . . 5329 1 355 . 1 1 39 39 PHE HZ H 1 6.50 0.01 . 1 . . . . . . . . 5329 1 356 . 1 1 39 39 PHE C C 13 176.8 0.1 . 1 . . . . . . . . 5329 1 357 . 1 1 39 39 PHE CA C 13 62.3 0.1 . 1 . . . . . . . . 5329 1 358 . 1 1 39 39 PHE CB C 13 38.9 0.1 . 1 . . . . . . . . 5329 1 359 . 1 1 39 39 PHE CD1 C 13 131.4 0.1 . 3 . . . . . . . . 5329 1 360 . 1 1 39 39 PHE CE1 C 13 130.3 0.1 . 3 . . . . . . . . 5329 1 361 . 1 1 39 39 PHE CZ C 13 128.5 0.1 . 1 . . . . . . . . 5329 1 362 . 1 1 39 39 PHE N N 15 126.4 0.1 . 1 . . . . . . . . 5329 1 363 . 1 1 40 40 THR H H 1 7.95 0.01 . 1 . . . . . . . . 5329 1 364 . 1 1 40 40 THR HA H 1 3.73 0.01 . 1 . . . . . . . . 5329 1 365 . 1 1 40 40 THR HB H 1 4.15 0.01 . 1 . . . . . . . . 5329 1 366 . 1 1 40 40 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5329 1 367 . 1 1 40 40 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5329 1 368 . 1 1 40 40 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5329 1 369 . 1 1 40 40 THR C C 13 176.3 0.1 . 1 . . . . . . . . 5329 1 370 . 1 1 40 40 THR CA C 13 65.2 0.1 . 1 . . . . . . . . 5329 1 371 . 1 1 40 40 THR CB C 13 68.2 0.1 . 1 . . . . . . . . 5329 1 372 . 1 1 40 40 THR CG2 C 13 22.8 0.1 . 1 . . . . . . . . 5329 1 373 . 1 1 40 40 THR N N 15 112.6 0.1 . 1 . . . . . . . . 5329 1 374 . 1 1 41 41 ALA H H 1 7.81 0.01 . 1 . . . . . . . . 5329 1 375 . 1 1 41 41 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 5329 1 376 . 1 1 41 41 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5329 1 377 . 1 1 41 41 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5329 1 378 . 1 1 41 41 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5329 1 379 . 1 1 41 41 ALA C C 13 179.9 0.1 . 1 . . . . . . . . 5329 1 380 . 1 1 41 41 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 5329 1 381 . 1 1 41 41 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5329 1 382 . 1 1 41 41 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 5329 1 383 . 1 1 42 42 VAL H H 1 7.01 0.01 . 1 . . . . . . . . 5329 1 384 . 1 1 42 42 VAL HA H 1 3.32 0.01 . 1 . . . . . . . . 5329 1 385 . 1 1 42 42 VAL HB H 1 0.96 0.01 . 1 . . . . . . . . 5329 1 386 . 1 1 42 42 VAL HG11 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 387 . 1 1 42 42 VAL HG12 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 388 . 1 1 42 42 VAL HG13 H 1 0.39 0.01 . 1 . . . . . . . . 5329 1 389 . 1 1 42 42 VAL HG21 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 390 . 1 1 42 42 VAL HG22 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 391 . 1 1 42 42 VAL HG23 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 392 . 1 1 42 42 VAL C C 13 176.7 0.1 . 1 . . . . . . . . 5329 1 393 . 1 1 42 42 VAL CA C 13 65.9 0.1 . 1 . . . . . . . . 5329 1 394 . 1 1 42 42 VAL CB C 13 30.2 0.1 . 1 . . . . . . . . 5329 1 395 . 1 1 42 42 VAL CG1 C 13 21.3 0.1 . 1 . . . . . . . . 5329 1 396 . 1 1 42 42 VAL CG2 C 13 22.9 0.1 . 1 . . . . . . . . 5329 1 397 . 1 1 42 42 VAL N N 15 119.6 0.1 . 1 . . . . . . . . 5329 1 398 . 1 1 43 43 LEU H H 1 7.40 0.01 . 1 . . . . . . . . 5329 1 399 . 1 1 43 43 LEU HA H 1 3.69 0.01 . 1 . . . . . . . . 5329 1 400 . 1 1 43 43 LEU HB2 H 1 1.28 0.01 . 1 . . . . . . . . 5329 1 401 . 1 1 43 43 LEU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5329 1 402 . 1 1 43 43 LEU HG H 1 1.48 0.01 . 1 . . . . . . . . 5329 1 403 . 1 1 43 43 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 5329 1 404 . 1 1 43 43 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 5329 1 405 . 1 1 43 43 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 5329 1 406 . 1 1 43 43 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 5329 1 407 . 1 1 43 43 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 5329 1 408 . 1 1 43 43 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 5329 1 409 . 1 1 43 43 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5329 1 410 . 1 1 43 43 LEU CA C 13 58.9 0.1 . 1 . . . . . . . . 5329 1 411 . 1 1 43 43 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5329 1 412 . 1 1 43 43 LEU CG C 13 28.1 0.1 . 1 . . . . . . . . 5329 1 413 . 1 1 43 43 LEU CD1 C 13 24.4 0.1 . 1 . . . . . . . . 5329 1 414 . 1 1 43 43 LEU CD2 C 13 25.0 0.1 . 1 . . . . . . . . 5329 1 415 . 1 1 43 43 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 5329 1 416 . 1 1 44 44 LYS H H 1 7.65 0.01 . 1 . . . . . . . . 5329 1 417 . 1 1 44 44 LYS HA H 1 3.79 0.01 . 1 . . . . . . . . 5329 1 418 . 1 1 44 44 LYS HB2 H 1 1.62 0.01 . 2 . . . . . . . . 5329 1 419 . 1 1 44 44 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5329 1 420 . 1 1 44 44 LYS HG2 H 1 1.29 0.01 . 2 . . . . . . . . 5329 1 421 . 1 1 44 44 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 5329 1 422 . 1 1 44 44 LYS HD2 H 1 1.59 0.01 . 2 . . . . . . . . 5329 1 423 . 1 1 44 44 LYS HE2 H 1 2.93 0.01 . 2 . . . . . . . . 5329 1 424 . 1 1 44 44 LYS C C 13 178.1 0.1 . 1 . . . . . . . . 5329 1 425 . 1 1 44 44 LYS CA C 13 60.2 0.1 . 1 . . . . . . . . 5329 1 426 . 1 1 44 44 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5329 1 427 . 1 1 44 44 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5329 1 428 . 1 1 44 44 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5329 1 429 . 1 1 44 44 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5329 1 430 . 1 1 44 44 LYS N N 15 117.5 0.1 . 1 . . . . . . . . 5329 1 431 . 1 1 45 45 PHE H H 1 7.71 0.01 . 1 . . . . . . . . 5329 1 432 . 1 1 45 45 PHE HA H 1 4.44 0.01 . 1 . . . . . . . . 5329 1 433 . 1 1 45 45 PHE HB2 H 1 3.12 0.01 . 2 . . . . . . . . 5329 1 434 . 1 1 45 45 PHE HB3 H 1 3.18 0.01 . 2 . . . . . . . . 5329 1 435 . 1 1 45 45 PHE HD1 H 1 7.12 0.01 . 3 . . . . . . . . 5329 1 436 . 1 1 45 45 PHE C C 13 177.8 0.1 . 1 . . . . . . . . 5329 1 437 . 1 1 45 45 PHE CA C 13 59.9 0.1 . 1 . . . . . . . . 5329 1 438 . 1 1 45 45 PHE CB C 13 39.1 0.1 . 1 . . . . . . . . 5329 1 439 . 1 1 45 45 PHE CD1 C 13 131.5 0.1 . 3 . . . . . . . . 5329 1 440 . 1 1 45 45 PHE N N 15 118.1 0.1 . 1 . . . . . . . . 5329 1 441 . 1 1 46 46 ALA H H 1 8.66 0.01 . 1 . . . . . . . . 5329 1 442 . 1 1 46 46 ALA HA H 1 3.55 0.01 . 1 . . . . . . . . 5329 1 443 . 1 1 46 46 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 444 . 1 1 46 46 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 445 . 1 1 46 46 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 446 . 1 1 46 46 ALA C C 13 178.0 0.1 . 1 . . . . . . . . 5329 1 447 . 1 1 46 46 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 5329 1 448 . 1 1 46 46 ALA CB C 13 17.9 0.1 . 1 . . . . . . . . 5329 1 449 . 1 1 46 46 ALA N N 15 120.8 0.1 . 1 . . . . . . . . 5329 1 450 . 1 1 47 47 ALA H H 1 8.63 0.01 . 1 . . . . . . . . 5329 1 451 . 1 1 47 47 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 5329 1 452 . 1 1 47 47 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5329 1 453 . 1 1 47 47 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5329 1 454 . 1 1 47 47 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5329 1 455 . 1 1 47 47 ALA C C 13 179.6 0.1 . 1 . . . . . . . . 5329 1 456 . 1 1 47 47 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5329 1 457 . 1 1 47 47 ALA CB C 13 16.8 0.1 . 1 . . . . . . . . 5329 1 458 . 1 1 47 47 ALA N N 15 119.1 0.1 . 1 . . . . . . . . 5329 1 459 . 1 1 48 48 GLU H H 1 8.03 0.01 . 1 . . . . . . . . 5329 1 460 . 1 1 48 48 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 5329 1 461 . 1 1 48 48 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5329 1 462 . 1 1 48 48 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5329 1 463 . 1 1 48 48 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 5329 1 464 . 1 1 48 48 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 5329 1 465 . 1 1 48 48 GLU C C 13 180.5 0.1 . 1 . . . . . . . . 5329 1 466 . 1 1 48 48 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5329 1 467 . 1 1 48 48 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5329 1 468 . 1 1 48 48 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5329 1 469 . 1 1 48 48 GLU N N 15 116.4 0.1 . 1 . . . . . . . . 5329 1 470 . 1 1 49 49 GLU H H 1 8.06 0.01 . 1 . . . . . . . . 5329 1 471 . 1 1 49 49 GLU HA H 1 3.89 0.01 . 1 . . . . . . . . 5329 1 472 . 1 1 49 49 GLU HB2 H 1 1.45 0.01 . 2 . . . . . . . . 5329 1 473 . 1 1 49 49 GLU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5329 1 474 . 1 1 49 49 GLU HG2 H 1 1.54 0.01 . 2 . . . . . . . . 5329 1 475 . 1 1 49 49 GLU HG3 H 1 1.76 0.01 . 2 . . . . . . . . 5329 1 476 . 1 1 49 49 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5329 1 477 . 1 1 49 49 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5329 1 478 . 1 1 49 49 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5329 1 479 . 1 1 49 49 GLU CG C 13 35.8 0.1 . 1 . . . . . . . . 5329 1 480 . 1 1 49 49 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 5329 1 481 . 1 1 50 50 PHE H H 1 8.05 0.01 . 1 . . . . . . . . 5329 1 482 . 1 1 50 50 PHE HA H 1 4.62 0.01 . 1 . . . . . . . . 5329 1 483 . 1 1 50 50 PHE HB2 H 1 2.80 0.01 . 2 . . . . . . . . 5329 1 484 . 1 1 50 50 PHE HB3 H 1 3.42 0.01 . 2 . . . . . . . . 5329 1 485 . 1 1 50 50 PHE HD1 H 1 7.22 0.01 . 3 . . . . . . . . 5329 1 486 . 1 1 50 50 PHE HE1 H 1 6.99 0.01 . 3 . . . . . . . . 5329 1 487 . 1 1 50 50 PHE C C 13 174.1 0.1 . 1 . . . . . . . . 5329 1 488 . 1 1 50 50 PHE CA C 13 58.4 0.1 . 1 . . . . . . . . 5329 1 489 . 1 1 50 50 PHE CB C 13 39.7 0.1 . 1 . . . . . . . . 5329 1 490 . 1 1 50 50 PHE CD1 C 13 132.3 0.1 . 3 . . . . . . . . 5329 1 491 . 1 1 50 50 PHE CE1 C 13 130.1 0.1 . 3 . . . . . . . . 5329 1 492 . 1 1 50 50 PHE N N 15 116.0 0.1 . 1 . . . . . . . . 5329 1 493 . 1 1 51 51 LYS H H 1 7.93 0.01 . 1 . . . . . . . . 5329 1 494 . 1 1 51 51 LYS HA H 1 3.91 0.01 . 1 . . . . . . . . 5329 1 495 . 1 1 51 51 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5329 1 496 . 1 1 51 51 LYS HB3 H 1 2.18 0.01 . 2 . . . . . . . . 5329 1 497 . 1 1 51 51 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 5329 1 498 . 1 1 51 51 LYS HG3 H 1 1.32 0.01 . 1 . . . . . . . . 5329 1 499 . 1 1 51 51 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5329 1 500 . 1 1 51 51 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5329 1 501 . 1 1 51 51 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5329 1 502 . 1 1 51 51 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5329 1 503 . 1 1 51 51 LYS C C 13 175.9 0.1 . 1 . . . . . . . . 5329 1 504 . 1 1 51 51 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5329 1 505 . 1 1 51 51 LYS CB C 13 28.6 0.1 . 1 . . . . . . . . 5329 1 506 . 1 1 51 51 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5329 1 507 . 1 1 51 51 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5329 1 508 . 1 1 51 51 LYS CE C 13 42.4 0.1 . 1 . . . . . . . . 5329 1 509 . 1 1 51 51 LYS N N 15 116.8 0.1 . 1 . . . . . . . . 5329 1 510 . 1 1 52 52 VAL H H 1 8.21 0.01 . 1 . . . . . . . . 5329 1 511 . 1 1 52 52 VAL HA H 1 4.86 0.01 . 1 . . . . . . . . 5329 1 512 . 1 1 52 52 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 5329 1 513 . 1 1 52 52 VAL HG11 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 514 . 1 1 52 52 VAL HG12 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 515 . 1 1 52 52 VAL HG13 H 1 0.83 0.01 . 1 . . . . . . . . 5329 1 516 . 1 1 52 52 VAL HG21 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 517 . 1 1 52 52 VAL HG22 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 518 . 1 1 52 52 VAL HG23 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 519 . 1 1 52 52 VAL CA C 13 57.8 0.1 . 1 . . . . . . . . 5329 1 520 . 1 1 52 52 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5329 1 521 . 1 1 52 52 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5329 1 522 . 1 1 52 52 VAL CG2 C 13 19.1 0.1 . 1 . . . . . . . . 5329 1 523 . 1 1 52 52 VAL N N 15 112.9 0.1 . 1 . . . . . . . . 5329 1 524 . 1 1 53 53 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 5329 1 525 . 1 1 53 53 PRO HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5329 1 526 . 1 1 53 53 PRO HB3 H 1 2.30 0.01 . 2 . . . . . . . . 5329 1 527 . 1 1 53 53 PRO HG2 H 1 1.89 0.01 . 2 . . . . . . . . 5329 1 528 . 1 1 53 53 PRO HD2 H 1 3.43 0.01 . 2 . . . . . . . . 5329 1 529 . 1 1 53 53 PRO HD3 H 1 3.76 0.01 . 2 . . . . . . . . 5329 1 530 . 1 1 53 53 PRO C C 13 179.1 0.1 . 1 . . . . . . . . 5329 1 531 . 1 1 53 53 PRO CA C 13 62.6 0.1 . 1 . . . . . . . . 5329 1 532 . 1 1 53 53 PRO CB C 13 31.3 0.1 . 1 . . . . . . . . 5329 1 533 . 1 1 53 53 PRO CG C 13 27.9 0.1 . 1 . . . . . . . . 5329 1 534 . 1 1 53 53 PRO CD C 13 50.7 0.1 . 1 . . . . . . . . 5329 1 535 . 1 1 54 54 ALA H H 1 8.97 0.01 . 1 . . . . . . . . 5329 1 536 . 1 1 54 54 ALA HA H 1 3.71 0.01 . 1 . . . . . . . . 5329 1 537 . 1 1 54 54 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 5329 1 538 . 1 1 54 54 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5329 1 539 . 1 1 54 54 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5329 1 540 . 1 1 54 54 ALA C C 13 180.0 0.1 . 1 . . . . . . . . 5329 1 541 . 1 1 54 54 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5329 1 542 . 1 1 54 54 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5329 1 543 . 1 1 54 54 ALA N N 15 130.9 0.1 . 1 . . . . . . . . 5329 1 544 . 1 1 55 55 ALA H H 1 8.60 0.01 . 1 . . . . . . . . 5329 1 545 . 1 1 55 55 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 5329 1 546 . 1 1 55 55 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5329 1 547 . 1 1 55 55 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5329 1 548 . 1 1 55 55 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5329 1 549 . 1 1 55 55 ALA C C 13 178.9 0.1 . 1 . . . . . . . . 5329 1 550 . 1 1 55 55 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5329 1 551 . 1 1 55 55 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 5329 1 552 . 1 1 55 55 ALA N N 15 115.6 0.1 . 1 . . . . . . . . 5329 1 553 . 1 1 56 56 THR H H 1 6.92 0.01 . 1 . . . . . . . . 5329 1 554 . 1 1 56 56 THR HA H 1 4.52 0.01 . 1 . . . . . . . . 5329 1 555 . 1 1 56 56 THR HB H 1 4.65 0.01 . 1 . . . . . . . . 5329 1 556 . 1 1 56 56 THR HG21 H 1 1.11 0.01 . 1 . . . . . . . . 5329 1 557 . 1 1 56 56 THR HG22 H 1 1.11 0.01 . 1 . . . . . . . . 5329 1 558 . 1 1 56 56 THR HG23 H 1 1.11 0.01 . 1 . . . . . . . . 5329 1 559 . 1 1 56 56 THR C C 13 174.1 0.1 . 1 . . . . . . . . 5329 1 560 . 1 1 56 56 THR CA C 13 60.1 0.1 . 1 . . . . . . . . 5329 1 561 . 1 1 56 56 THR CB C 13 68.2 0.1 . 1 . . . . . . . . 5329 1 562 . 1 1 56 56 THR CG2 C 13 21.6 0.1 . 1 . . . . . . . . 5329 1 563 . 1 1 56 56 THR N N 15 102.3 0.1 . 1 . . . . . . . . 5329 1 564 . 1 1 57 57 SER H H 1 7.27 0.01 . 1 . . . . . . . . 5329 1 565 . 1 1 57 57 SER HA H 1 5.04 0.01 . 1 . . . . . . . . 5329 1 566 . 1 1 57 57 SER HB2 H 1 3.55 0.01 . 1 . . . . . . . . 5329 1 567 . 1 1 57 57 SER HB3 H 1 3.67 0.01 . 1 . . . . . . . . 5329 1 568 . 1 1 57 57 SER C C 13 171.3 0.1 . 1 . . . . . . . . 5329 1 569 . 1 1 57 57 SER CA C 13 59.3 0.1 . 1 . . . . . . . . 5329 1 570 . 1 1 57 57 SER CB C 13 65.7 0.1 . 1 . . . . . . . . 5329 1 571 . 1 1 57 57 SER N N 15 118.2 0.1 . 1 . . . . . . . . 5329 1 572 . 1 1 58 58 ALA H H 1 8.89 0.01 . 1 . . . . . . . . 5329 1 573 . 1 1 58 58 ALA HA H 1 4.62 0.01 . 1 . . . . . . . . 5329 1 574 . 1 1 58 58 ALA HB1 H 1 1.29 0.01 . 1 . . . . . . . . 5329 1 575 . 1 1 58 58 ALA HB2 H 1 1.29 0.01 . 1 . . . . . . . . 5329 1 576 . 1 1 58 58 ALA HB3 H 1 1.29 0.01 . 1 . . . . . . . . 5329 1 577 . 1 1 58 58 ALA C C 13 174.7 0.1 . 1 . . . . . . . . 5329 1 578 . 1 1 58 58 ALA CA C 13 50.8 0.1 . 1 . . . . . . . . 5329 1 579 . 1 1 58 58 ALA CB C 13 22.3 0.1 . 1 . . . . . . . . 5329 1 580 . 1 1 58 58 ALA N N 15 124.9 0.1 . 1 . . . . . . . . 5329 1 581 . 1 1 59 59 ILE H H 1 8.78 0.01 . 1 . . . . . . . . 5329 1 582 . 1 1 59 59 ILE HA H 1 5.39 0.01 . 1 . . . . . . . . 5329 1 583 . 1 1 59 59 ILE HB H 1 1.78 0.01 . 1 . . . . . . . . 5329 1 584 . 1 1 59 59 ILE HG12 H 1 1.30 0.01 . 2 . . . . . . . . 5329 1 585 . 1 1 59 59 ILE HG13 H 1 1.52 0.01 . 2 . . . . . . . . 5329 1 586 . 1 1 59 59 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 5329 1 587 . 1 1 59 59 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 5329 1 588 . 1 1 59 59 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 5329 1 589 . 1 1 59 59 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 5329 1 590 . 1 1 59 59 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 5329 1 591 . 1 1 59 59 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 5329 1 592 . 1 1 59 59 ILE C C 13 175.2 0.1 . 1 . . . . . . . . 5329 1 593 . 1 1 59 59 ILE CA C 13 58.3 0.1 . 1 . . . . . . . . 5329 1 594 . 1 1 59 59 ILE CB C 13 38.2 0.1 . 1 . . . . . . . . 5329 1 595 . 1 1 59 59 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 5329 1 596 . 1 1 59 59 ILE CG2 C 13 19.4 0.1 . 1 . . . . . . . . 5329 1 597 . 1 1 59 59 ILE CD1 C 13 12.1 0.1 . 1 . . . . . . . . 5329 1 598 . 1 1 59 59 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 5329 1 599 . 1 1 60 60 ILE H H 1 8.96 0.01 . 1 . . . . . . . . 5329 1 600 . 1 1 60 60 ILE HA H 1 5.31 0.01 . 1 . . . . . . . . 5329 1 601 . 1 1 60 60 ILE HB H 1 1.59 0.01 . 1 . . . . . . . . 5329 1 602 . 1 1 60 60 ILE HG12 H 1 0.89 0.01 . 2 . . . . . . . . 5329 1 603 . 1 1 60 60 ILE HG13 H 1 1.37 0.01 . 2 . . . . . . . . 5329 1 604 . 1 1 60 60 ILE HG21 H 1 0.72 0.01 . 1 . . . . . . . . 5329 1 605 . 1 1 60 60 ILE HG22 H 1 0.72 0.01 . 1 . . . . . . . . 5329 1 606 . 1 1 60 60 ILE HG23 H 1 0.72 0.01 . 1 . . . . . . . . 5329 1 607 . 1 1 60 60 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5329 1 608 . 1 1 60 60 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5329 1 609 . 1 1 60 60 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5329 1 610 . 1 1 60 60 ILE C C 13 175.8 0.1 . 1 . . . . . . . . 5329 1 611 . 1 1 60 60 ILE CA C 13 58.4 0.1 . 1 . . . . . . . . 5329 1 612 . 1 1 60 60 ILE CB C 13 42.8 0.1 . 1 . . . . . . . . 5329 1 613 . 1 1 60 60 ILE CG1 C 13 26.1 0.1 . 1 . . . . . . . . 5329 1 614 . 1 1 60 60 ILE CG2 C 13 16.9 0.1 . 1 . . . . . . . . 5329 1 615 . 1 1 60 60 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . 5329 1 616 . 1 1 60 60 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 5329 1 617 . 1 1 61 61 THR H H 1 8.51 0.01 . 1 . . . . . . . . 5329 1 618 . 1 1 61 61 THR HA H 1 4.57 0.01 . 1 . . . . . . . . 5329 1 619 . 1 1 61 61 THR HB H 1 4.77 0.01 . 1 . . . . . . . . 5329 1 620 . 1 1 61 61 THR HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 621 . 1 1 61 61 THR HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 622 . 1 1 61 61 THR HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 623 . 1 1 61 61 THR C C 13 177.3 0.1 . 1 . . . . . . . . 5329 1 624 . 1 1 61 61 THR CA C 13 60.6 0.1 . 1 . . . . . . . . 5329 1 625 . 1 1 61 61 THR CB C 13 71.1 0.1 . 1 . . . . . . . . 5329 1 626 . 1 1 61 61 THR CG2 C 13 21.9 0.1 . 1 . . . . . . . . 5329 1 627 . 1 1 61 61 THR N N 15 110.6 0.1 . 1 . . . . . . . . 5329 1 628 . 1 1 62 62 ASN H H 1 9.49 0.01 . 1 . . . . . . . . 5329 1 629 . 1 1 62 62 ASN HA H 1 4.36 0.01 . 1 . . . . . . . . 5329 1 630 . 1 1 62 62 ASN HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5329 1 631 . 1 1 62 62 ASN HB3 H 1 2.90 0.01 . 2 . . . . . . . . 5329 1 632 . 1 1 62 62 ASN HD21 H 1 6.84 0.01 . 2 . . . . . . . . 5329 1 633 . 1 1 62 62 ASN HD22 H 1 7.61 0.01 . 2 . . . . . . . . 5329 1 634 . 1 1 62 62 ASN C C 13 175.9 0.1 . 1 . . . . . . . . 5329 1 635 . 1 1 62 62 ASN CA C 13 55.9 0.1 . 1 . . . . . . . . 5329 1 636 . 1 1 62 62 ASN CB C 13 37.8 0.1 . 1 . . . . . . . . 5329 1 637 . 1 1 62 62 ASN N N 15 119.8 0.1 . 1 . . . . . . . . 5329 1 638 . 1 1 62 62 ASN ND2 N 15 111.8 0.1 . 2 . . . . . . . . 5329 1 639 . 1 1 63 63 ASP H H 1 8.01 0.01 . 1 . . . . . . . . 5329 1 640 . 1 1 63 63 ASP HA H 1 4.72 0.01 . 1 . . . . . . . . 5329 1 641 . 1 1 63 63 ASP HB2 H 1 2.71 0.01 . 2 . . . . . . . . 5329 1 642 . 1 1 63 63 ASP HB3 H 1 2.75 0.01 . 2 . . . . . . . . 5329 1 643 . 1 1 63 63 ASP C C 13 176.4 0.1 . 1 . . . . . . . . 5329 1 644 . 1 1 63 63 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 5329 1 645 . 1 1 63 63 ASP CB C 13 40.4 0.1 . 1 . . . . . . . . 5329 1 646 . 1 1 63 63 ASP N N 15 115.0 0.1 . 1 . . . . . . . . 5329 1 647 . 1 1 64 64 GLY H H 1 7.94 0.01 . 1 . . . . . . . . 5329 1 648 . 1 1 64 64 GLY HA2 H 1 3.53 0.01 . 2 . . . . . . . . 5329 1 649 . 1 1 64 64 GLY HA3 H 1 4.16 0.01 . 2 . . . . . . . . 5329 1 650 . 1 1 64 64 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5329 1 651 . 1 1 64 64 GLY CA C 13 46.0 0.1 . 1 . . . . . . . . 5329 1 652 . 1 1 64 64 GLY N N 15 107.7 0.1 . 1 . . . . . . . . 5329 1 653 . 1 1 65 65 VAL H H 1 7.53 0.01 . 1 . . . . . . . . 5329 1 654 . 1 1 65 65 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 5329 1 655 . 1 1 65 65 VAL HB H 1 2.01 0.01 . 1 . . . . . . . . 5329 1 656 . 1 1 65 65 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 5329 1 657 . 1 1 65 65 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 5329 1 658 . 1 1 65 65 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 5329 1 659 . 1 1 65 65 VAL HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 660 . 1 1 65 65 VAL HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 661 . 1 1 65 65 VAL HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5329 1 662 . 1 1 65 65 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5329 1 663 . 1 1 65 65 VAL CA C 13 62.4 0.1 . 1 . . . . . . . . 5329 1 664 . 1 1 65 65 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 5329 1 665 . 1 1 65 65 VAL CG1 C 13 20.8 0.1 . 1 . . . . . . . . 5329 1 666 . 1 1 65 65 VAL CG2 C 13 21.7 0.1 . 1 . . . . . . . . 5329 1 667 . 1 1 65 65 VAL N N 15 122.1 0.1 . 1 . . . . . . . . 5329 1 668 . 1 1 66 66 GLY H H 1 8.67 0.01 . 1 . . . . . . . . 5329 1 669 . 1 1 66 66 GLY HA2 H 1 3.60 0.01 . 2 . . . . . . . . 5329 1 670 . 1 1 66 66 GLY HA3 H 1 4.29 0.01 . 2 . . . . . . . . 5329 1 671 . 1 1 66 66 GLY C C 13 173.6 0.1 . 1 . . . . . . . . 5329 1 672 . 1 1 66 66 GLY CA C 13 46.0 0.1 . 1 . . . . . . . . 5329 1 673 . 1 1 66 66 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 5329 1 674 . 1 1 67 67 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 5329 1 675 . 1 1 67 67 VAL HA H 1 3.86 0.01 . 1 . . . . . . . . 5329 1 676 . 1 1 67 67 VAL HB H 1 1.57 0.01 . 1 . . . . . . . . 5329 1 677 . 1 1 67 67 VAL HG11 H 1 0.24 0.01 . 1 . . . . . . . . 5329 1 678 . 1 1 67 67 VAL HG12 H 1 0.24 0.01 . 1 . . . . . . . . 5329 1 679 . 1 1 67 67 VAL HG13 H 1 0.24 0.01 . 1 . . . . . . . . 5329 1 680 . 1 1 67 67 VAL HG21 H 1 0.34 0.01 . 1 . . . . . . . . 5329 1 681 . 1 1 67 67 VAL HG22 H 1 0.34 0.01 . 1 . . . . . . . . 5329 1 682 . 1 1 67 67 VAL HG23 H 1 0.34 0.01 . 1 . . . . . . . . 5329 1 683 . 1 1 67 67 VAL C C 13 175.2 0.1 . 1 . . . . . . . . 5329 1 684 . 1 1 67 67 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . 5329 1 685 . 1 1 67 67 VAL CB C 13 33.2 0.1 . 1 . . . . . . . . 5329 1 686 . 1 1 67 67 VAL CG1 C 13 21.3 0.1 . 1 . . . . . . . . 5329 1 687 . 1 1 67 67 VAL CG2 C 13 20.9 0.1 . 1 . . . . . . . . 5329 1 688 . 1 1 67 67 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5329 1 689 . 1 1 68 68 ASN H H 1 8.63 0.01 . 1 . . . . . . . . 5329 1 690 . 1 1 68 68 ASN HA H 1 4.92 0.01 . 1 . . . . . . . . 5329 1 691 . 1 1 68 68 ASN HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5329 1 692 . 1 1 68 68 ASN HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5329 1 693 . 1 1 68 68 ASN HD21 H 1 7.08 0.01 . 2 . . . . . . . . 5329 1 694 . 1 1 68 68 ASN HD22 H 1 7.70 0.01 . 2 . . . . . . . . 5329 1 695 . 1 1 68 68 ASN CA C 13 50.0 0.1 . 1 . . . . . . . . 5329 1 696 . 1 1 68 68 ASN CB C 13 38.5 0.1 . 1 . . . . . . . . 5329 1 697 . 1 1 68 68 ASN N N 15 126.9 0.1 . 1 . . . . . . . . 5329 1 698 . 1 1 68 68 ASN ND2 N 15 111.9 0.1 . 1 . . . . . . . . 5329 1 699 . 1 1 69 69 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 5329 1 700 . 1 1 69 69 PRO HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5329 1 701 . 1 1 69 69 PRO HG2 H 1 2.04 0.01 . 2 . . . . . . . . 5329 1 702 . 1 1 69 69 PRO HD2 H 1 3.88 0.01 . 1 . . . . . . . . 5329 1 703 . 1 1 69 69 PRO HD3 H 1 4.32 0.01 . 1 . . . . . . . . 5329 1 704 . 1 1 69 69 PRO C C 13 175.3 0.1 . 1 . . . . . . . . 5329 1 705 . 1 1 69 69 PRO CA C 13 63.7 0.1 . 1 . . . . . . . . 5329 1 706 . 1 1 69 69 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5329 1 707 . 1 1 69 69 PRO CG C 13 26.7 0.1 . 1 . . . . . . . . 5329 1 708 . 1 1 69 69 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5329 1 709 . 1 1 70 70 ALA H H 1 7.69 0.01 . 1 . . . . . . . . 5329 1 710 . 1 1 70 70 ALA HA H 1 4.61 0.01 . 1 . . . . . . . . 5329 1 711 . 1 1 70 70 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 712 . 1 1 70 70 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 713 . 1 1 70 70 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 5329 1 714 . 1 1 70 70 ALA C C 13 177.3 0.1 . 1 . . . . . . . . 5329 1 715 . 1 1 70 70 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 5329 1 716 . 1 1 70 70 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . 5329 1 717 . 1 1 70 70 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5329 1 718 . 1 1 71 71 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 5329 1 719 . 1 1 71 71 GLN HA H 1 4.79 0.01 . 1 . . . . . . . . 5329 1 720 . 1 1 71 71 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5329 1 721 . 1 1 71 71 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5329 1 722 . 1 1 71 71 GLN HG2 H 1 2.24 0.01 . 2 . . . . . . . . 5329 1 723 . 1 1 71 71 GLN HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5329 1 724 . 1 1 71 71 GLN HE21 H 1 6.96 0.01 . 2 . . . . . . . . 5329 1 725 . 1 1 71 71 GLN HE22 H 1 8.20 0.01 . 2 . . . . . . . . 5329 1 726 . 1 1 71 71 GLN CA C 13 54.1 0.1 . 1 . . . . . . . . 5329 1 727 . 1 1 71 71 GLN CB C 13 30.7 0.1 . 1 . . . . . . . . 5329 1 728 . 1 1 71 71 GLN CG C 13 34.0 0.1 . 1 . . . . . . . . 5329 1 729 . 1 1 71 71 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 5329 1 730 . 1 1 71 71 GLN NE2 N 15 114.0 0.1 . 1 . . . . . . . . 5329 1 731 . 1 1 72 72 PRO HA H 1 4.54 0.01 . 1 . . . . . . . . 5329 1 732 . 1 1 72 72 PRO HB2 H 1 2.37 0.01 . 2 . . . . . . . . 5329 1 733 . 1 1 72 72 PRO HB3 H 1 2.45 0.01 . 2 . . . . . . . . 5329 1 734 . 1 1 72 72 PRO HG2 H 1 2.11 0.01 . 2 . . . . . . . . 5329 1 735 . 1 1 72 72 PRO HD2 H 1 3.66 0.01 . 2 . . . . . . . . 5329 1 736 . 1 1 72 72 PRO HD3 H 1 3.94 0.01 . 2 . . . . . . . . 5329 1 737 . 1 1 72 72 PRO C C 13 178.2 0.1 . 1 . . . . . . . . 5329 1 738 . 1 1 72 72 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 5329 1 739 . 1 1 72 72 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 5329 1 740 . 1 1 72 72 PRO CG C 13 27.8 0.1 . 1 . . . . . . . . 5329 1 741 . 1 1 72 72 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5329 1 742 . 1 1 73 73 ALA H H 1 9.58 0.01 . 1 . . . . . . . . 5329 1 743 . 1 1 73 73 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 5329 1 744 . 1 1 73 73 ALA HB1 H 1 1.69 0.01 . 1 . . . . . . . . 5329 1 745 . 1 1 73 73 ALA HB2 H 1 1.69 0.01 . 1 . . . . . . . . 5329 1 746 . 1 1 73 73 ALA HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5329 1 747 . 1 1 73 73 ALA C C 13 180.1 0.1 . 1 . . . . . . . . 5329 1 748 . 1 1 73 73 ALA CA C 13 56.1 0.1 . 1 . . . . . . . . 5329 1 749 . 1 1 73 73 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5329 1 750 . 1 1 73 73 ALA N N 15 126.4 0.1 . 1 . . . . . . . . 5329 1 751 . 1 1 74 74 GLY H H 1 10.1 0.01 . 2 . . . . . . . . 5329 1 752 . 1 1 74 74 GLY HA2 H 1 3.89 0.01 . 2 . . . . . . . . 5329 1 753 . 1 1 74 74 GLY HA3 H 1 4.29 0.01 . 2 . . . . . . . . 5329 1 754 . 1 1 74 74 GLY C C 13 175.6 0.1 . 1 . . . . . . . . 5329 1 755 . 1 1 74 74 GLY CA C 13 47.8 0.1 . 1 . . . . . . . . 5329 1 756 . 1 1 74 74 GLY N N 15 104.6 0.1 . 2 . . . . . . . . 5329 1 757 . 1 1 75 75 ASN H H 1 7.48 0.01 . 1 . . . . . . . . 5329 1 758 . 1 1 75 75 ASN HA H 1 4.55 0.01 . 1 . . . . . . . . 5329 1 759 . 1 1 75 75 ASN HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5329 1 760 . 1 1 75 75 ASN HB3 H 1 2.99 0.01 . 2 . . . . . . . . 5329 1 761 . 1 1 75 75 ASN HD21 H 1 7.09 0.01 . 2 . . . . . . . . 5329 1 762 . 1 1 75 75 ASN HD22 H 1 7.77 0.01 . 2 . . . . . . . . 5329 1 763 . 1 1 75 75 ASN C C 13 177.9 0.1 . 1 . . . . . . . . 5329 1 764 . 1 1 75 75 ASN CA C 13 55.9 0.1 . 1 . . . . . . . . 5329 1 765 . 1 1 75 75 ASN CB C 13 37.9 0.1 . 1 . . . . . . . . 5329 1 766 . 1 1 75 75 ASN N N 15 119.7 0.1 . 1 . . . . . . . . 5329 1 767 . 1 1 75 75 ASN ND2 N 15 110.7 0.1 . 1 . . . . . . . . 5329 1 768 . 1 1 76 76 ILE H H 1 7.39 0.01 . 1 . . . . . . . . 5329 1 769 . 1 1 76 76 ILE HA H 1 3.75 0.01 . 1 . . . . . . . . 5329 1 770 . 1 1 76 76 ILE HB H 1 2.11 0.01 . 1 . . . . . . . . 5329 1 771 . 1 1 76 76 ILE HG12 H 1 0.85 0.01 . 2 . . . . . . . . 5329 1 772 . 1 1 76 76 ILE HG13 H 1 1.20 0.01 . 2 . . . . . . . . 5329 1 773 . 1 1 76 76 ILE HG21 H 1 0.48 0.01 . 1 . . . . . . . . 5329 1 774 . 1 1 76 76 ILE HG22 H 1 0.48 0.01 . 1 . . . . . . . . 5329 1 775 . 1 1 76 76 ILE HG23 H 1 0.48 0.01 . 1 . . . . . . . . 5329 1 776 . 1 1 76 76 ILE HD11 H 1 0.45 0.01 . 1 . . . . . . . . 5329 1 777 . 1 1 76 76 ILE HD12 H 1 0.45 0.01 . 1 . . . . . . . . 5329 1 778 . 1 1 76 76 ILE HD13 H 1 0.45 0.01 . 1 . . . . . . . . 5329 1 779 . 1 1 76 76 ILE C C 13 177.6 0.1 . 1 . . . . . . . . 5329 1 780 . 1 1 76 76 ILE CA C 13 63.2 0.1 . 1 . . . . . . . . 5329 1 781 . 1 1 76 76 ILE CB C 13 36.1 0.1 . 1 . . . . . . . . 5329 1 782 . 1 1 76 76 ILE CG1 C 13 27.7 0.1 . 1 . . . . . . . . 5329 1 783 . 1 1 76 76 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5329 1 784 . 1 1 76 76 ILE CD1 C 13 11.4 0.1 . 1 . . . . . . . . 5329 1 785 . 1 1 76 76 ILE N N 15 120.4 0.1 . 1 . . . . . . . . 5329 1 786 . 1 1 77 77 PHE H H 1 8.60 0.01 . 1 . . . . . . . . 5329 1 787 . 1 1 77 77 PHE HA H 1 4.46 0.01 . 1 . . . . . . . . 5329 1 788 . 1 1 77 77 PHE HB2 H 1 3.10 0.01 . 2 . . . . . . . . 5329 1 789 . 1 1 77 77 PHE HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5329 1 790 . 1 1 77 77 PHE HD1 H 1 6.83 0.01 . 3 . . . . . . . . 5329 1 791 . 1 1 77 77 PHE HE1 H 1 7.38 0.01 . 3 . . . . . . . . 5329 1 792 . 1 1 77 77 PHE C C 13 178.4 0.1 . 1 . . . . . . . . 5329 1 793 . 1 1 77 77 PHE CA C 13 61.2 0.1 . 1 . . . . . . . . 5329 1 794 . 1 1 77 77 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5329 1 795 . 1 1 77 77 PHE CD1 C 13 131.6 0.1 . 3 . . . . . . . . 5329 1 796 . 1 1 77 77 PHE CE1 C 13 131.4 0.1 . 3 . . . . . . . . 5329 1 797 . 1 1 77 77 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 5329 1 798 . 1 1 78 78 LEU H H 1 7.99 0.01 . 1 . . . . . . . . 5329 1 799 . 1 1 78 78 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 5329 1 800 . 1 1 78 78 LEU HB2 H 1 1.61 0.01 . 2 . . . . . . . . 5329 1 801 . 1 1 78 78 LEU HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5329 1 802 . 1 1 78 78 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 5329 1 803 . 1 1 78 78 LEU HD11 H 1 0.94 0.01 . 2 . . . . . . . . 5329 1 804 . 1 1 78 78 LEU HD12 H 1 0.94 0.01 . 2 . . . . . . . . 5329 1 805 . 1 1 78 78 LEU HD13 H 1 0.94 0.01 . 2 . . . . . . . . 5329 1 806 . 1 1 78 78 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 5329 1 807 . 1 1 78 78 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 5329 1 808 . 1 1 78 78 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5329 1 809 . 1 1 78 78 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5329 1 810 . 1 1 78 78 LEU CD1 C 13 23.7 0.1 . 2 . . . . . . . . 5329 1 811 . 1 1 78 78 LEU N N 15 118.9 0.1 . 1 . . . . . . . . 5329 1 812 . 1 1 79 79 LYS H H 1 7.54 0.01 . 1 . . . . . . . . 5329 1 813 . 1 1 79 79 LYS HA H 1 3.99 0.01 . 1 . . . . . . . . 5329 1 814 . 1 1 79 79 LYS HB2 H 1 1.06 0.01 . 2 . . . . . . . . 5329 1 815 . 1 1 79 79 LYS HB3 H 1 1.40 0.01 . 2 . . . . . . . . 5329 1 816 . 1 1 79 79 LYS HG2 H 1 0.87 0.01 . 2 . . . . . . . . 5329 1 817 . 1 1 79 79 LYS HG3 H 1 1.11 0.01 . 2 . . . . . . . . 5329 1 818 . 1 1 79 79 LYS HD2 H 1 1.46 0.01 . 2 . . . . . . . . 5329 1 819 . 1 1 79 79 LYS HE2 H 1 2.87 0.01 . 2 . . . . . . . . 5329 1 820 . 1 1 79 79 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 5329 1 821 . 1 1 79 79 LYS CA C 13 58.1 0.1 . 1 . . . . . . . . 5329 1 822 . 1 1 79 79 LYS CB C 13 33.6 0.1 . 1 . . . . . . . . 5329 1 823 . 1 1 79 79 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5329 1 824 . 1 1 79 79 LYS CD C 13 28.6 0.1 . 1 . . . . . . . . 5329 1 825 . 1 1 79 79 LYS CE C 13 41.8 0.1 . 1 . . . . . . . . 5329 1 826 . 1 1 79 79 LYS N N 15 116.0 0.1 . 1 . . . . . . . . 5329 1 827 . 1 1 80 80 HIS H H 1 8.54 0.01 . 1 . . . . . . . . 5329 1 828 . 1 1 80 80 HIS HA H 1 4.89 0.01 . 1 . . . . . . . . 5329 1 829 . 1 1 80 80 HIS HB2 H 1 2.98 0.01 . 2 . . . . . . . . 5329 1 830 . 1 1 80 80 HIS HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5329 1 831 . 1 1 80 80 HIS HD2 H 1 6.70 0.01 . 1 . . . . . . . . 5329 1 832 . 1 1 80 80 HIS C C 13 175.6 0.1 . 1 . . . . . . . . 5329 1 833 . 1 1 80 80 HIS CA C 13 55.5 0.1 . 1 . . . . . . . . 5329 1 834 . 1 1 80 80 HIS CB C 13 31.3 0.1 . 1 . . . . . . . . 5329 1 835 . 1 1 80 80 HIS CD2 C 13 125.3 0.1 . 1 . . . . . . . . 5329 1 836 . 1 1 80 80 HIS N N 15 114.1 0.1 . 1 . . . . . . . . 5329 1 837 . 1 1 81 81 GLY H H 1 7.99 0.01 . 1 . . . . . . . . 5329 1 838 . 1 1 81 81 GLY HA2 H 1 3.33 0.01 . 2 . . . . . . . . 5329 1 839 . 1 1 81 81 GLY HA3 H 1 4.15 0.01 . 2 . . . . . . . . 5329 1 840 . 1 1 81 81 GLY C C 13 171.3 0.1 . 1 . . . . . . . . 5329 1 841 . 1 1 81 81 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 5329 1 842 . 1 1 81 81 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 5329 1 843 . 1 1 82 82 SER H H 1 7.87 0.01 . 1 . . . . . . . . 5329 1 844 . 1 1 82 82 SER HA H 1 4.75 0.01 . 1 . . . . . . . . 5329 1 845 . 1 1 82 82 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 5329 1 846 . 1 1 82 82 SER HB3 H 1 4.17 0.01 . 2 . . . . . . . . 5329 1 847 . 1 1 82 82 SER C C 13 175.8 0.1 . 1 . . . . . . . . 5329 1 848 . 1 1 82 82 SER CA C 13 60.1 0.1 . 1 . . . . . . . . 5329 1 849 . 1 1 82 82 SER CB C 13 66.2 0.1 . 1 . . . . . . . . 5329 1 850 . 1 1 82 82 SER N N 15 107.6 0.1 . 1 . . . . . . . . 5329 1 851 . 1 1 83 83 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 5329 1 852 . 1 1 83 83 GLU HA H 1 5.03 0.01 . 1 . . . . . . . . 5329 1 853 . 1 1 83 83 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5329 1 854 . 1 1 83 83 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5329 1 855 . 1 1 83 83 GLU HG2 H 1 2.15 0.01 . 2 . . . . . . . . 5329 1 856 . 1 1 83 83 GLU HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5329 1 857 . 1 1 83 83 GLU C C 13 174.7 0.1 . 1 . . . . . . . . 5329 1 858 . 1 1 83 83 GLU CA C 13 56.8 0.1 . 1 . . . . . . . . 5329 1 859 . 1 1 83 83 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5329 1 860 . 1 1 83 83 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5329 1 861 . 1 1 83 83 GLU N N 15 120.6 0.1 . 1 . . . . . . . . 5329 1 862 . 1 1 84 84 LEU H H 1 8.68 0.01 . 1 . . . . . . . . 5329 1 863 . 1 1 84 84 LEU HA H 1 4.97 0.01 . 1 . . . . . . . . 5329 1 864 . 1 1 84 84 LEU HB2 H 1 1.53 0.01 . 2 . . . . . . . . 5329 1 865 . 1 1 84 84 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . 5329 1 866 . 1 1 84 84 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 5329 1 867 . 1 1 84 84 LEU HD11 H 1 0.62 0.01 . 1 . . . . . . . . 5329 1 868 . 1 1 84 84 LEU HD12 H 1 0.62 0.01 . 1 . . . . . . . . 5329 1 869 . 1 1 84 84 LEU HD13 H 1 0.62 0.01 . 1 . . . . . . . . 5329 1 870 . 1 1 84 84 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 5329 1 871 . 1 1 84 84 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 5329 1 872 . 1 1 84 84 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 5329 1 873 . 1 1 84 84 LEU C C 13 175.7 0.1 . 1 . . . . . . . . 5329 1 874 . 1 1 84 84 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5329 1 875 . 1 1 84 84 LEU CB C 13 46.8 0.1 . 1 . . . . . . . . 5329 1 876 . 1 1 84 84 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5329 1 877 . 1 1 84 84 LEU CD1 C 13 27.4 0.1 . 1 . . . . . . . . 5329 1 878 . 1 1 84 84 LEU CD2 C 13 22.9 0.1 . 1 . . . . . . . . 5329 1 879 . 1 1 84 84 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 5329 1 880 . 1 1 85 85 ARG H H 1 8.86 0.01 . 1 . . . . . . . . 5329 1 881 . 1 1 85 85 ARG HA H 1 5.20 0.01 . 1 . . . . . . . . 5329 1 882 . 1 1 85 85 ARG HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5329 1 883 . 1 1 85 85 ARG HB3 H 1 1.63 0.01 . 2 . . . . . . . . 5329 1 884 . 1 1 85 85 ARG HG2 H 1 1.48 0.01 . 2 . . . . . . . . 5329 1 885 . 1 1 85 85 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 5329 1 886 . 1 1 85 85 ARG HD2 H 1 3.06 0.01 . 2 . . . . . . . . 5329 1 887 . 1 1 85 85 ARG HE H 1 7.12 0.01 . 1 . . . . . . . . 5329 1 888 . 1 1 85 85 ARG C C 13 173.6 0.1 . 1 . . . . . . . . 5329 1 889 . 1 1 85 85 ARG CA C 13 54.7 0.1 . 1 . . . . . . . . 5329 1 890 . 1 1 85 85 ARG CB C 13 33.0 0.1 . 1 . . . . . . . . 5329 1 891 . 1 1 85 85 ARG CG C 13 27.2 0.1 . 1 . . . . . . . . 5329 1 892 . 1 1 85 85 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 5329 1 893 . 1 1 85 85 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 5329 1 894 . 1 1 85 85 ARG NE N 15 84.5 0.1 . 1 . . . . . . . . 5329 1 895 . 1 1 86 86 LEU H H 1 8.86 0.01 . 1 . . . . . . . . 5329 1 896 . 1 1 86 86 LEU HA H 1 5.18 0.01 . 1 . . . . . . . . 5329 1 897 . 1 1 86 86 LEU HB2 H 1 1.10 0.01 . 2 . . . . . . . . 5329 1 898 . 1 1 86 86 LEU HB3 H 1 1.58 0.01 . 2 . . . . . . . . 5329 1 899 . 1 1 86 86 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 5329 1 900 . 1 1 86 86 LEU HD11 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 901 . 1 1 86 86 LEU HD12 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 902 . 1 1 86 86 LEU HD13 H 1 0.79 0.01 . 1 . . . . . . . . 5329 1 903 . 1 1 86 86 LEU HD21 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 904 . 1 1 86 86 LEU HD22 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 905 . 1 1 86 86 LEU HD23 H 1 0.71 0.01 . 1 . . . . . . . . 5329 1 906 . 1 1 86 86 LEU C C 13 175.3 0.1 . 1 . . . . . . . . 5329 1 907 . 1 1 86 86 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5329 1 908 . 1 1 86 86 LEU CB C 13 44.6 0.1 . 1 . . . . . . . . 5329 1 909 . 1 1 86 86 LEU CG C 13 28.1 0.1 . 1 . . . . . . . . 5329 1 910 . 1 1 86 86 LEU CD1 C 13 26.0 0.1 . 1 . . . . . . . . 5329 1 911 . 1 1 86 86 LEU CD2 C 13 26.1 0.1 . 1 . . . . . . . . 5329 1 912 . 1 1 86 86 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 5329 1 913 . 1 1 87 87 ILE H H 1 9.17 0.01 . 1 . . . . . . . . 5329 1 914 . 1 1 87 87 ILE HA H 1 4.89 0.01 . 1 . . . . . . . . 5329 1 915 . 1 1 87 87 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 5329 1 916 . 1 1 87 87 ILE HG12 H 1 0.97 0.01 . 2 . . . . . . . . 5329 1 917 . 1 1 87 87 ILE HG13 H 1 1.36 0.01 . 2 . . . . . . . . 5329 1 918 . 1 1 87 87 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 919 . 1 1 87 87 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 920 . 1 1 87 87 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5329 1 921 . 1 1 87 87 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5329 1 922 . 1 1 87 87 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5329 1 923 . 1 1 87 87 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5329 1 924 . 1 1 87 87 ILE CA C 13 57.7 0.1 . 1 . . . . . . . . 5329 1 925 . 1 1 87 87 ILE CB C 13 40.9 0.1 . 1 . . . . . . . . 5329 1 926 . 1 1 87 87 ILE CG1 C 13 26.4 0.1 . 1 . . . . . . . . 5329 1 927 . 1 1 87 87 ILE CG2 C 13 17.4 0.1 . 1 . . . . . . . . 5329 1 928 . 1 1 87 87 ILE CD1 C 13 14.1 0.1 . 1 . . . . . . . . 5329 1 929 . 1 1 87 87 ILE N N 15 124.9 0.1 . 1 . . . . . . . . 5329 1 930 . 1 1 88 88 PRO HA H 1 4.82 0.01 . 1 . . . . . . . . 5329 1 931 . 1 1 88 88 PRO HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5329 1 932 . 1 1 88 88 PRO HB3 H 1 2.23 0.01 . 2 . . . . . . . . 5329 1 933 . 1 1 88 88 PRO HG2 H 1 1.87 0.01 . 2 . . . . . . . . 5329 1 934 . 1 1 88 88 PRO HG3 H 1 2.03 0.01 . 2 . . . . . . . . 5329 1 935 . 1 1 88 88 PRO HD2 H 1 3.59 0.01 . 2 . . . . . . . . 5329 1 936 . 1 1 88 88 PRO HD3 H 1 3.76 0.01 . 2 . . . . . . . . 5329 1 937 . 1 1 88 88 PRO C C 13 177.4 0.1 . 1 . . . . . . . . 5329 1 938 . 1 1 88 88 PRO CA C 13 62.3 0.1 . 1 . . . . . . . . 5329 1 939 . 1 1 88 88 PRO CB C 13 30.9 0.1 . 1 . . . . . . . . 5329 1 940 . 1 1 88 88 PRO CG C 13 27.5 0.1 . 1 . . . . . . . . 5329 1 941 . 1 1 88 88 PRO CD C 13 50.9 0.1 . 1 . . . . . . . . 5329 1 942 . 1 1 89 89 ARG H H 1 8.46 0.01 . 1 . . . . . . . . 5329 1 943 . 1 1 89 89 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 5329 1 944 . 1 1 89 89 ARG HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5329 1 945 . 1 1 89 89 ARG HG2 H 1 1.56 0.01 . 2 . . . . . . . . 5329 1 946 . 1 1 89 89 ARG C C 13 176.4 0.1 . 1 . . . . . . . . 5329 1 947 . 1 1 89 89 ARG CA C 13 57.4 0.1 . 1 . . . . . . . . 5329 1 948 . 1 1 89 89 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . 5329 1 949 . 1 1 89 89 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5329 1 950 . 1 1 89 89 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 5329 1 951 . 1 1 89 89 ARG N N 15 122.8 0.1 . 1 . . . . . . . . 5329 1 952 . 1 1 90 90 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 5329 1 953 . 1 1 90 90 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5329 1 954 . 1 1 90 90 ASP HB2 H 1 2.64 0.01 . 2 . . . . . . . . 5329 1 955 . 1 1 90 90 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 5329 1 956 . 1 1 90 90 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 5329 1 957 . 1 1 90 90 ASP CB C 13 41.0 0.1 . 1 . . . . . . . . 5329 1 958 . 1 1 90 90 ASP N N 15 119.7 0.1 . 1 . . . . . . . . 5329 1 959 . 1 1 91 91 ARG H H 1 8.11 0.01 . 1 . . . . . . . . 5329 1 960 . 1 1 91 91 ARG HA H 1 4.34 0.01 . 1 . . . . . . . . 5329 1 961 . 1 1 91 91 ARG C C 13 176.2 0.1 . 1 . . . . . . . . 5329 1 962 . 1 1 91 91 ARG CA C 13 55.6 0.1 . 1 . . . . . . . . 5329 1 963 . 1 1 91 91 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . 5329 1 964 . 1 1 91 91 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 5329 1 965 . 1 1 92 92 VAL H H 1 7.94 0.01 . 1 . . . . . . . . 5329 1 966 . 1 1 92 92 VAL C C 13 176.7 0.1 . 1 . . . . . . . . 5329 1 967 . 1 1 92 92 VAL CA C 13 63.0 0.1 . 1 . . . . . . . . 5329 1 968 . 1 1 92 92 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 5329 1 969 . 1 1 92 92 VAL N N 15 121.2 0.1 . 1 . . . . . . . . 5329 1 970 . 1 1 93 93 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 5329 1 971 . 1 1 93 93 GLY C C 13 173.2 0.1 . 1 . . . . . . . . 5329 1 972 . 1 1 93 93 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5329 1 973 . 1 1 93 93 GLY N N 15 113.2 0.1 . 1 . . . . . . . . 5329 1 974 . 1 1 94 94 HIS H H 1 7.90 0.01 . 1 . . . . . . . . 5329 1 975 . 1 1 94 94 HIS CA C 13 56.9 0.1 . 1 . . . . . . . . 5329 1 976 . 1 1 94 94 HIS CB C 13 30.1 0.1 . 1 . . . . . . . . 5329 1 977 . 1 1 94 94 HIS N N 15 122.9 0.1 . 1 . . . . . . . . 5329 1 stop_ save_