data_18010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18010 _Entry.Title ; FF11-60 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-19 _Entry.Accession_date 2011-10-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Julia Barette . . . 18010 2 Algirdas Velyvis . . . 18010 3 Tomasz Religa . L. . 18010 4 Dmitry Korzhnev . M. . 18010 5 Lewis Kay . E. . 18010 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18010 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 18010 '15N chemical shifts' 51 18010 '1H chemical shifts' 354 18010 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 . . 2013-02-15 2011-10-19 update BMRB 'update entry citation' 18010 1 . . 2011-11-21 2011-10-19 original author 'original release' 18010 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5537 'Entry for the full length FF domain native state' 18010 PDB 1UZC 'Entry for the full length FF domain native state' 18010 PDB 2KZG 'Entry for the full length FF domain folding intermediate state' 18010 PDB 2LKS 'BMRB Entry Tracking System' 18010 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22148426 _Citation.Full_citation . _Citation.Title 'Cross-validation of the structure of a transiently formed and low populated FF domain folding intermediate determined by relaxation dispersion NMR and CS-Rosetta.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full 'The journal of physical chemistry. B' _Citation.Journal_volume 116 _Citation.Journal_issue 23 _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 6637 _Citation.Page_last 6644 _Citation.Year 2012 _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 Julia Barette . . . 18010 1 2 Algirdas Velyvis . . . 18010 1 3 Tomasz Religa . L. . 18010 1 4 Dmitry Korzhnev . M. . 18010 1 5 Lewis Kay . E. . 18010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18010 _Assembly.ID 1 _Assembly.Name FF11-60 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FF11-60 1 $FF11-60 A . yes native no no . . . 18010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FF11-60 _Entity.Sf_category entity _Entity.Sf_framecode FF11-60 _Entity.Entry_ID 18010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FF11-60 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNTKEEAKQAFKELLKEKRV PSNASWEQAMKMIINDPRYS ALAKLSEKKQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5088.965 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17489 . FF_Domain_L24A . . . . . 98.00 70 97.96 97.96 7.29e-24 . . . . 18010 1 2 no BMRB 19591 . FF_domain_L24A_mutant . . . . . 98.00 71 97.96 97.96 8.14e-24 . . . . 18010 1 3 no BMRB 26520 . A39G_FF . . . . . 98.00 71 100.00 100.00 1.08e-24 . . . . 18010 1 4 no PDB 1UZC . "The Structure Of An Ff Domain From Human HypaFBP11" . . . . . 98.00 71 100.00 100.00 1.03e-24 . . . . 18010 1 5 no PDB 2KZG . "A Transient And Low Populated Protein Folding Intermediate At Atomic Resolution" . . . . . 98.00 71 100.00 100.00 1.03e-24 . . . . 18010 1 6 no PDB 2L9V . "Nmr Structure Of The Ff Domain L24a Mutant's Folding Transition State" . . . . . 96.00 49 97.92 97.92 5.40e-23 . . . . 18010 1 7 no PDB 2LKS . Ff11-60 . . . . . 100.00 50 100.00 100.00 6.77e-26 . . . . 18010 1 8 no DBJ BAB15016 . "unnamed protein product [Homo sapiens]" . . . . . 98.00 323 100.00 100.00 1.25e-23 . . . . 18010 1 9 no DBJ BAB61719 . "formin binding protein 11-related protein [Gallus gallus]" . . . . . 98.00 853 100.00 100.00 3.93e-22 . . . . 18010 1 10 no DBJ BAB68206 . "formin binding protein 11-related protein, partial [Gallus gallus]" . . . . . 98.00 1070 100.00 100.00 4.14e-22 . . . . 18010 1 11 no DBJ BAG60744 . "unnamed protein product [Homo sapiens]" . . . . . 98.00 816 100.00 100.00 3.10e-22 . . . . 18010 1 12 no GB AAC27501 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 98.00 423 97.96 97.96 6.95e-23 . . . . 18010 1 13 no GB AAC27506 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 98.00 452 97.96 97.96 1.10e-22 . . . . 18010 1 14 no GB AAD39463 . "formin binding protein 11 [Mus musculus]" . . . . . 98.00 953 100.00 100.00 4.33e-22 . . . . 18010 1 15 no GB AAH11788 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 98.00 411 100.00 100.00 1.81e-23 . . . . 18010 1 16 no GB AAH29414 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 98.00 414 100.00 100.00 2.17e-23 . . . . 18010 1 17 no REF NP_001099950 . "pre-mRNA-processing factor 40 homolog A [Rattus norvegicus]" . . . . . 98.00 953 100.00 100.00 4.33e-22 . . . . 18010 1 18 no REF NP_001121292 . "PRP40 pre-mRNA processing factor 40 homolog A [Xenopus laevis]" . . . . . 98.00 487 97.96 100.00 3.88e-22 . . . . 18010 1 19 no REF NP_001231502 . "pre-mRNA-processing factor 40 homolog A [Sus scrofa]" . . . . . 98.00 957 100.00 100.00 4.27e-22 . . . . 18010 1 20 no REF NP_001243869 . "pre-mRNA-processing factor 40 homolog A isoform 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.00 922 97.96 100.00 1.22e-21 . . . . 18010 1 21 no REF NP_001243870 . "pre-mRNA-processing factor 40 homolog A isoform 2 [Xenopus (Silurana) tropicalis]" . . . . . 98.00 917 97.96 100.00 1.15e-21 . . . . 18010 1 22 no SP O75400 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Fas ligand-associated factor 1; AltName: Full=Formin-bindi" . . . . . 98.00 957 100.00 100.00 4.02e-22 . . . . 18010 1 23 no SP Q9R1C7 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Formin-binding protein 11; Short=FBP-11; AltName: Full=For" . . . . . 98.00 953 100.00 100.00 4.33e-22 . . . . 18010 1 24 no TPG DAA32724 . "TPA: formin binding protein 3-like [Bos taurus]" . . . . . 98.00 929 100.00 100.00 3.84e-22 . . . . 18010 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 11 GLY . 18010 1 2 12 ASN . 18010 1 3 13 THR . 18010 1 4 14 LYS . 18010 1 5 15 GLU . 18010 1 6 16 GLU . 18010 1 7 17 ALA . 18010 1 8 18 LYS . 18010 1 9 19 GLN . 18010 1 10 20 ALA . 18010 1 11 21 PHE . 18010 1 12 22 LYS . 18010 1 13 23 GLU . 18010 1 14 24 LEU . 18010 1 15 25 LEU . 18010 1 16 26 LYS . 18010 1 17 27 GLU . 18010 1 18 28 LYS . 18010 1 19 29 ARG . 18010 1 20 30 VAL . 18010 1 21 31 PRO . 18010 1 22 32 SER . 18010 1 23 33 ASN . 18010 1 24 34 ALA . 18010 1 25 35 SER . 18010 1 26 36 TRP . 18010 1 27 37 GLU . 18010 1 28 38 GLN . 18010 1 29 39 ALA . 18010 1 30 40 MET . 18010 1 31 41 LYS . 18010 1 32 42 MET . 18010 1 33 43 ILE . 18010 1 34 44 ILE . 18010 1 35 45 ASN . 18010 1 36 46 ASP . 18010 1 37 47 PRO . 18010 1 38 48 ARG . 18010 1 39 49 TYR . 18010 1 40 50 SER . 18010 1 41 51 ALA . 18010 1 42 52 LEU . 18010 1 43 53 ALA . 18010 1 44 54 LYS . 18010 1 45 55 LEU . 18010 1 46 56 SER . 18010 1 47 57 GLU . 18010 1 48 58 LYS . 18010 1 49 59 LYS . 18010 1 50 60 GLN . 18010 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18010 1 . ASN 2 2 18010 1 . THR 3 3 18010 1 . LYS 4 4 18010 1 . GLU 5 5 18010 1 . GLU 6 6 18010 1 . ALA 7 7 18010 1 . LYS 8 8 18010 1 . GLN 9 9 18010 1 . ALA 10 10 18010 1 . PHE 11 11 18010 1 . LYS 12 12 18010 1 . GLU 13 13 18010 1 . LEU 14 14 18010 1 . LEU 15 15 18010 1 . LYS 16 16 18010 1 . GLU 17 17 18010 1 . LYS 18 18 18010 1 . ARG 19 19 18010 1 . VAL 20 20 18010 1 . PRO 21 21 18010 1 . SER 22 22 18010 1 . ASN 23 23 18010 1 . ALA 24 24 18010 1 . SER 25 25 18010 1 . TRP 26 26 18010 1 . GLU 27 27 18010 1 . GLN 28 28 18010 1 . ALA 29 29 18010 1 . MET 30 30 18010 1 . LYS 31 31 18010 1 . MET 32 32 18010 1 . ILE 33 33 18010 1 . ILE 34 34 18010 1 . ASN 35 35 18010 1 . ASP 36 36 18010 1 . PRO 37 37 18010 1 . ARG 38 38 18010 1 . TYR 39 39 18010 1 . SER 40 40 18010 1 . ALA 41 41 18010 1 . LEU 42 42 18010 1 . ALA 43 43 18010 1 . LYS 44 44 18010 1 . LEU 45 45 18010 1 . SER 46 46 18010 1 . GLU 47 47 18010 1 . LYS 48 48 18010 1 . LYS 49 49 18010 1 . GLN 50 50 18010 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 18010 _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 $FF11-60 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Hypa/FBP11 . . . . 18010 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 18010 _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 $FF11-60 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pRSET A' . . . ; N-His6-Lyp-Thr-FF11-60-C, His6 - Histag, Lyp - Lipoil Domain Solublity Tag, Thr - Thrombin Cleavage Site, FF11-60 - FF11-60 ; . . 18010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18010 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details FF11-60 _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 18010 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18010 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18010 1 4 FF11-60 '[U-100% 13C; U-100% 15N]' . . 1 $FF11-60 . . 1 . . mM . . . . 18010 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18010 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18010 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18010 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FF11-60 A51L mutant to remove Ala chemical shift ambiguity' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 18010 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18010 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18010 2 4 'FF11-60 A51L' '[U-100% 13C; U-100% 15N]' . . 1 $FF11-60 . . 1 . . mM . . . . 18010 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18010 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18010 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18010 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FF11-60 10% 13C-labelled sample for stereospecific methyl assignment experiment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '20mM sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 18010 3 2 '50 mM sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18010 3 3 '0.05% sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 18010 3 4 FF11-60 '[U-10% 13C; U-100% 15N]' . . 1 $FF11-60 . . 1 . . mM . . . . 18010 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18010 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18010 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18010 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.070 . M 18010 1 pH 4.8 . pH 18010 1 pressure 1 . atm 18010 1 temperature 273 . K 18010 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18010 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18010 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18010 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18010 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18010 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18010 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18010 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.23 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18010 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18010 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18010 _Software.ID 4 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18010 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18010 4 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 18010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18010 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18010 _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 INOVA . 500 . . . 18010 1 2 spectrometer_2 Varian INOVA . 800 . . . 18010 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 18010 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 3 '3D CBCACONNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 6 '3D HCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 7 '3D CCC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 8 '3D HACACONNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 9 '3D NC-NOESY (simultaneous N and C)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 10 '3D methyl-methyl NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18010 1 11 '3D 1H(ALA)-13C(ALA)-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18010 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18010 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18010 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 acetate 'methyl carbon' . . . . ppm 25.85 na direct 1.0 . . . . . . . . . 18010 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 18010 1 N 15 urea nitrogen . . . . ppm 78.98 na direct 1.0 . . . . . . . . . 18010 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18010 1 2 '2D 1H-13C HSQC' . . . 18010 1 3 '3D CBCACONNH' . . . 18010 1 4 '3D HNCO' . . . 18010 1 5 '3D HNCACB' . . . 18010 1 6 '3D HCC-TOCSY' . . . 18010 1 7 '3D CCC-TOCSY' . . . 18010 1 8 '3D HACACONNH' . . . 18010 1 9 '3D NC-NOESY (simultaneous N and C)' . . . 18010 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.88 0.03 . 1 . . . . 11 GLY HA2 . 18010 1 2 . 1 1 1 1 GLY HA3 H 1 3.88 0.03 . 1 . . . . 11 GLY HA3 . 18010 1 3 . 1 1 1 1 GLY CA C 13 43.01 0.2 . 1 . . . . 11 GLY CA . 18010 1 4 . 1 1 2 2 ASN H H 1 8.78 0.03 . 1 . . . . 12 ASN H . 18010 1 5 . 1 1 2 2 ASN HA H 1 4.89 0.03 . 1 . . . . 12 ASN HA . 18010 1 6 . 1 1 2 2 ASN HB2 H 1 2.90 0.03 . 2 . . . . 12 ASN HB2 . 18010 1 7 . 1 1 2 2 ASN HB3 H 1 2.80 0.03 . 2 . . . . 12 ASN HB3 . 18010 1 8 . 1 1 2 2 ASN HD21 H 1 7.65 0.03 . 2 . . . . 12 ASN HD21 . 18010 1 9 . 1 1 2 2 ASN HD22 H 1 6.95 0.03 . 2 . . . . 12 ASN HD22 . 18010 1 10 . 1 1 2 2 ASN C C 13 175.53 0.2 . 1 . . . . 12 ASN C . 18010 1 11 . 1 1 2 2 ASN CA C 13 53.16 0.2 . 1 . . . . 12 ASN CA . 18010 1 12 . 1 1 2 2 ASN CB C 13 39.08 0.2 . 1 . . . . 12 ASN CB . 18010 1 13 . 1 1 2 2 ASN N N 15 119.15 0.2 . 1 . . . . 12 ASN N . 18010 1 14 . 1 1 2 2 ASN ND2 N 15 112.99 0.2 . 1 . . . . 12 ASN ND2 . 18010 1 15 . 1 1 3 3 THR H H 1 8.33 0.03 . 1 . . . A 13 THR H . 18010 1 16 . 1 1 3 3 THR HA H 1 4.31 0.03 . 1 . . . A 13 THR HA . 18010 1 17 . 1 1 3 3 THR HB H 1 4.30 0.03 . 1 . . . A 13 THR HB . 18010 1 18 . 1 1 3 3 THR HG21 H 1 1.25 0.03 . 1 . . . A 13 THR HG21 . 18010 1 19 . 1 1 3 3 THR HG22 H 1 1.25 0.03 . 1 . . . A 13 THR HG22 . 18010 1 20 . 1 1 3 3 THR HG23 H 1 1.25 0.03 . 1 . . . A 13 THR HG23 . 18010 1 21 . 1 1 3 3 THR C C 13 175.14 0.2 . 1 . . . A 13 THR C . 18010 1 22 . 1 1 3 3 THR CA C 13 62.72 0.2 . 1 . . . A 13 THR CA . 18010 1 23 . 1 1 3 3 THR CB C 13 69.81 0.2 . 1 . . . A 13 THR CB . 18010 1 24 . 1 1 3 3 THR CG2 C 13 21.69 0.2 . 1 . . . A 13 THR CG2 . 18010 1 25 . 1 1 3 3 THR N N 15 115.41 0.2 . 1 . . . A 13 THR N . 18010 1 26 . 1 1 4 4 LYS H H 1 8.48 0.03 . 1 . . . A 14 LYS H . 18010 1 27 . 1 1 4 4 LYS HA H 1 4.18 0.03 . 1 . . . A 14 LYS HA . 18010 1 28 . 1 1 4 4 LYS HB2 H 1 1.86 0.03 . 1 . . . A 14 LYS HB2 . 18010 1 29 . 1 1 4 4 LYS HB3 H 1 1.86 0.03 . 1 . . . A 14 LYS HB3 . 18010 1 30 . 1 1 4 4 LYS HG2 H 1 1.44 0.03 . 1 . . . A 14 LYS HG2 . 18010 1 31 . 1 1 4 4 LYS HG3 H 1 1.44 0.03 . 1 . . . A 14 LYS HG3 . 18010 1 32 . 1 1 4 4 LYS HD2 H 1 1.69 0.03 . 1 . . . A 14 LYS HD2 . 18010 1 33 . 1 1 4 4 LYS HD3 H 1 1.69 0.03 . 1 . . . A 14 LYS HD3 . 18010 1 34 . 1 1 4 4 LYS HE2 H 1 2.99 0.03 . 1 . . . A 14 LYS HE2 . 18010 1 35 . 1 1 4 4 LYS HE3 H 1 2.99 0.03 . 1 . . . A 14 LYS HE3 . 18010 1 36 . 1 1 4 4 LYS C C 13 177.77 0.2 . 1 . . . A 14 LYS C . 18010 1 37 . 1 1 4 4 LYS CA C 13 57.62 0.2 . 1 . . . A 14 LYS CA . 18010 1 38 . 1 1 4 4 LYS CB C 13 32.58 0.2 . 1 . . . A 14 LYS CB . 18010 1 39 . 1 1 4 4 LYS CG C 13 24.67 0.2 . 1 . . . A 14 LYS CG . 18010 1 40 . 1 1 4 4 LYS CD C 13 28.84 0.2 . 1 . . . A 14 LYS CD . 18010 1 41 . 1 1 4 4 LYS CE C 13 41.81 0.2 . 1 . . . A 14 LYS CE . 18010 1 42 . 1 1 4 4 LYS N N 15 123.25 0.2 . 1 . . . A 14 LYS N . 18010 1 43 . 1 1 5 5 GLU H H 1 8.33 0.03 . 1 . . . A 15 GLU H . 18010 1 44 . 1 1 5 5 GLU HA H 1 4.21 0.03 . 1 . . . A 15 GLU HA . 18010 1 45 . 1 1 5 5 GLU HB2 H 1 2.29 0.03 . 1 . . . A 15 GLU HB2 . 18010 1 46 . 1 1 5 5 GLU HB3 H 1 2.29 0.03 . 1 . . . A 15 GLU HB3 . 18010 1 47 . 1 1 5 5 GLU HG2 H 1 2.29 0.03 . 1 . . . A 15 GLU HG2 . 18010 1 48 . 1 1 5 5 GLU HG3 H 1 2.29 0.03 . 1 . . . A 15 GLU HG3 . 18010 1 49 . 1 1 5 5 GLU C C 13 177.39 0.2 . 1 . . . A 15 GLU C . 18010 1 50 . 1 1 5 5 GLU CA C 13 57.74 0.2 . 1 . . . A 15 GLU CA . 18010 1 51 . 1 1 5 5 GLU CB C 13 29.96 0.2 . 1 . . . A 15 GLU CB . 18010 1 52 . 1 1 5 5 GLU CG C 13 35.82 0.2 . 1 . . . A 15 GLU CG . 18010 1 53 . 1 1 5 5 GLU N N 15 121.27 0.2 . 1 . . . A 15 GLU N . 18010 1 54 . 1 1 6 6 GLU H H 1 8.35 0.03 . 1 . . . A 16 GLU H . 18010 1 55 . 1 1 6 6 GLU HA H 1 4.16 0.03 . 1 . . . A 16 GLU HA . 18010 1 56 . 1 1 6 6 GLU HB2 H 1 2.03 0.03 . 1 . . . A 16 GLU HB2 . 18010 1 57 . 1 1 6 6 GLU HB3 H 1 2.03 0.03 . 1 . . . A 16 GLU HB3 . 18010 1 58 . 1 1 6 6 GLU HG2 H 1 2.33 0.03 . 1 . . . A 16 GLU HG2 . 18010 1 59 . 1 1 6 6 GLU HG3 H 1 2.33 0.03 . 1 . . . A 16 GLU HG3 . 18010 1 60 . 1 1 6 6 GLU C C 13 177.74 0.2 . 1 . . . A 16 GLU C . 18010 1 61 . 1 1 6 6 GLU CA C 13 57.74 0.2 . 1 . . . A 16 GLU CA . 18010 1 62 . 1 1 6 6 GLU CB C 13 29.96 0.2 . 1 . . . A 16 GLU CB . 18010 1 63 . 1 1 6 6 GLU CG C 13 36.09 0.2 . 1 . . . A 16 GLU CG . 18010 1 64 . 1 1 6 6 GLU N N 15 121.48 0.2 . 1 . . . A 16 GLU N . 18010 1 65 . 1 1 7 7 ALA H H 1 8.23 0.03 . 1 . . . A 17 ALA H . 18010 1 66 . 1 1 7 7 ALA HA H 1 4.19 0.03 . 1 . . . A 17 ALA HA . 18010 1 67 . 1 1 7 7 ALA HB1 H 1 1.42 0.03 . 1 . . . A 17 ALA HB1 . 18010 1 68 . 1 1 7 7 ALA HB2 H 1 1.42 0.03 . 1 . . . A 17 ALA HB2 . 18010 1 69 . 1 1 7 7 ALA HB3 H 1 1.42 0.03 . 1 . . . A 17 ALA HB3 . 18010 1 70 . 1 1 7 7 ALA C C 13 178.58 0.2 . 1 . . . A 17 ALA C . 18010 1 71 . 1 1 7 7 ALA CA C 13 53.63 0.2 . 1 . . . A 17 ALA CA . 18010 1 72 . 1 1 7 7 ALA CB C 13 18.87 0.2 . 1 . . . A 17 ALA CB . 18010 1 73 . 1 1 7 7 ALA N N 15 124.39 0.2 . 1 . . . A 17 ALA N . 18010 1 74 . 1 1 8 8 LYS H H 1 8.07 0.03 . 1 . . . A 18 LYS H . 18010 1 75 . 1 1 8 8 LYS HA H 1 4.01 0.03 . 1 . . . A 18 LYS HA . 18010 1 76 . 1 1 8 8 LYS HB2 H 1 1.86 0.03 . 1 . . . A 18 LYS HB2 . 18010 1 77 . 1 1 8 8 LYS HB3 H 1 1.86 0.03 . 1 . . . A 18 LYS HB3 . 18010 1 78 . 1 1 8 8 LYS HG2 H 1 1.46 0.03 . 1 . . . A 18 LYS HG2 . 18010 1 79 . 1 1 8 8 LYS HG3 H 1 1.46 0.03 . 1 . . . A 18 LYS HG3 . 18010 1 80 . 1 1 8 8 LYS HD2 H 1 1.70 0.03 . 1 . . . A 18 LYS HD2 . 18010 1 81 . 1 1 8 8 LYS HD3 H 1 1.70 0.03 . 1 . . . A 18 LYS HD3 . 18010 1 82 . 1 1 8 8 LYS HE2 H 1 2.99 0.03 . 1 . . . A 18 LYS HE2 . 18010 1 83 . 1 1 8 8 LYS HE3 H 1 2.99 0.03 . 1 . . . A 18 LYS HE3 . 18010 1 84 . 1 1 8 8 LYS C C 13 177.96 0.2 . 1 . . . A 18 LYS C . 18010 1 85 . 1 1 8 8 LYS CA C 13 58.06 0.2 . 1 . . . A 18 LYS CA . 18010 1 86 . 1 1 8 8 LYS CB C 13 32.74 0.2 . 1 . . . A 18 LYS CB . 18010 1 87 . 1 1 8 8 LYS CG C 13 24.67 0.2 . 1 . . . A 18 LYS CG . 18010 1 88 . 1 1 8 8 LYS CD C 13 28.95 0.2 . 1 . . . A 18 LYS CD . 18010 1 89 . 1 1 8 8 LYS CE C 13 41.80 0.2 . 1 . . . A 18 LYS CE . 18010 1 90 . 1 1 8 8 LYS N N 15 119.38 0.2 . 1 . . . A 18 LYS N . 18010 1 91 . 1 1 9 9 GLN H H 1 8.14 0.03 . 1 . . . A 19 GLN H . 18010 1 92 . 1 1 9 9 GLN HA H 1 4.23 0.03 . 1 . . . A 19 GLN HA . 18010 1 93 . 1 1 9 9 GLN HB2 H 1 2.09 0.03 . 1 . . . A 19 GLN HB2 . 18010 1 94 . 1 1 9 9 GLN HB3 H 1 2.09 0.03 . 1 . . . A 19 GLN HB3 . 18010 1 95 . 1 1 9 9 GLN HG2 H 1 2.43 0.03 . 1 . . . A 19 GLN HG2 . 18010 1 96 . 1 1 9 9 GLN HG3 H 1 2.43 0.03 . 1 . . . A 19 GLN HG3 . 18010 1 97 . 1 1 9 9 GLN C C 13 176.55 0.2 . 1 . . . A 19 GLN C . 18010 1 98 . 1 1 9 9 GLN CA C 13 57.19 0.2 . 1 . . . A 19 GLN CA . 18010 1 99 . 1 1 9 9 GLN CB C 13 28.82 0.2 . 1 . . . A 19 GLN CB . 18010 1 100 . 1 1 9 9 GLN CG C 13 33.25 0.2 . 1 . . . A 19 GLN CG . 18010 1 101 . 1 1 9 9 GLN N N 15 120.23 0.2 . 1 . . . A 19 GLN N . 18010 1 102 . 1 1 10 10 ALA H H 1 8.18 0.03 . 1 . . . A 20 ALA H . 18010 1 103 . 1 1 10 10 ALA HA H 1 4.20 0.03 . 1 . . . A 20 ALA HA . 18010 1 104 . 1 1 10 10 ALA HB1 H 1 1.35 0.03 . 1 . . . A 20 ALA HB1 . 18010 1 105 . 1 1 10 10 ALA HB2 H 1 1.35 0.03 . 1 . . . A 20 ALA HB2 . 18010 1 106 . 1 1 10 10 ALA HB3 H 1 1.35 0.03 . 1 . . . A 20 ALA HB3 . 18010 1 107 . 1 1 10 10 ALA C C 13 178.73 0.2 . 1 . . . A 20 ALA C . 18010 1 108 . 1 1 10 10 ALA CA C 13 53.82 0.2 . 1 . . . A 20 ALA CA . 18010 1 109 . 1 1 10 10 ALA CB C 13 18.84 0.2 . 1 . . . A 20 ALA CB . 18010 1 110 . 1 1 10 10 ALA N N 15 123.74 0.2 . 1 . . . A 20 ALA N . 18010 1 111 . 1 1 11 11 PHE H H 1 8.18 0.03 . 1 . . . A 21 PHE H . 18010 1 112 . 1 1 11 11 PHE HA H 1 4.40 0.03 . 1 . . . A 21 PHE HA . 18010 1 113 . 1 1 11 11 PHE HB2 H 1 3.18 0.03 . 1 . . . A 21 PHE HB2 . 18010 1 114 . 1 1 11 11 PHE HB3 H 1 3.18 0.03 . 1 . . . A 21 PHE HB3 . 18010 1 115 . 1 1 11 11 PHE HD1 H 1 7.21 0.03 . 1 . . . A 21 PHE HD1 . 18010 1 116 . 1 1 11 11 PHE HD2 H 1 7.21 0.03 . 1 . . . A 21 PHE HD2 . 18010 1 117 . 1 1 11 11 PHE HE1 H 1 7.21 0.03 . 1 . . . A 21 PHE HE1 . 18010 1 118 . 1 1 11 11 PHE HE2 H 1 7.21 0.03 . 1 . . . A 21 PHE HE2 . 18010 1 119 . 1 1 11 11 PHE C C 13 176.38 0.2 . 1 . . . A 21 PHE C . 18010 1 120 . 1 1 11 11 PHE CA C 13 59.12 0.2 . 1 . . . A 21 PHE CA . 18010 1 121 . 1 1 11 11 PHE CB C 13 39.32 0.2 . 1 . . . A 21 PHE CB . 18010 1 122 . 1 1 11 11 PHE CD1 C 13 130.64 0.2 . 1 . . . A 21 PHE CD1 . 18010 1 123 . 1 1 11 11 PHE CD2 C 13 130.64 0.2 . 1 . . . A 21 PHE CD2 . 18010 1 124 . 1 1 11 11 PHE CE1 C 13 130.44 0.2 . 1 . . . A 21 PHE CE1 . 18010 1 125 . 1 1 11 11 PHE CE2 C 13 130.44 0.2 . 1 . . . A 21 PHE CE2 . 18010 1 126 . 1 1 11 11 PHE N N 15 118.79 0.2 . 1 . . . A 21 PHE N . 18010 1 127 . 1 1 12 12 LYS H H 1 7.98 0.03 . 1 . . . A 22 LYS H . 18010 1 128 . 1 1 12 12 LYS HA H 1 4.01 0.03 . 1 . . . A 22 LYS HA . 18010 1 129 . 1 1 12 12 LYS HB2 H 1 1.86 0.03 . 1 . . . A 22 LYS HB2 . 18010 1 130 . 1 1 12 12 LYS HB3 H 1 1.86 0.03 . 1 . . . A 22 LYS HB3 . 18010 1 131 . 1 1 12 12 LYS HG2 H 1 1.46 0.03 . 1 . . . A 22 LYS HG2 . 18010 1 132 . 1 1 12 12 LYS HG3 H 1 1.46 0.03 . 1 . . . A 22 LYS HG3 . 18010 1 133 . 1 1 12 12 LYS HD2 H 1 1.70 0.03 . 1 . . . A 22 LYS HD2 . 18010 1 134 . 1 1 12 12 LYS HD3 H 1 1.70 0.03 . 1 . . . A 22 LYS HD3 . 18010 1 135 . 1 1 12 12 LYS HE2 H 1 2.99 0.03 . 1 . . . A 22 LYS HE2 . 18010 1 136 . 1 1 12 12 LYS HE3 H 1 2.99 0.03 . 1 . . . A 22 LYS HE3 . 18010 1 137 . 1 1 12 12 LYS C C 13 177.95 0.2 . 1 . . . A 22 LYS C . 18010 1 138 . 1 1 12 12 LYS CA C 13 58.72 0.2 . 1 . . . A 22 LYS CA . 18010 1 139 . 1 1 12 12 LYS CB C 13 32.77 0.2 . 1 . . . A 22 LYS CB . 18010 1 140 . 1 1 12 12 LYS CG C 13 24.67 0.2 . 1 . . . A 22 LYS CG . 18010 1 141 . 1 1 12 12 LYS CD C 13 28.95 0.2 . 1 . . . A 22 LYS CD . 18010 1 142 . 1 1 12 12 LYS CE C 13 41.80 0.2 . 1 . . . A 22 LYS CE . 18010 1 143 . 1 1 12 12 LYS N N 15 120.47 0.2 . 1 . . . A 22 LYS N . 18010 1 144 . 1 1 13 13 GLU H H 1 8.14 0.03 . 1 . . . A 23 GLU H . 18010 1 145 . 1 1 13 13 GLU HA H 1 4.18 0.03 . 1 . . . A 23 GLU HA . 18010 1 146 . 1 1 13 13 GLU HB2 H 1 2.08 0.03 . 1 . . . A 23 GLU HB2 . 18010 1 147 . 1 1 13 13 GLU HB3 H 1 2.08 0.03 . 1 . . . A 23 GLU HB3 . 18010 1 148 . 1 1 13 13 GLU HG2 H 1 2.35 0.03 . 1 . . . A 23 GLU HG2 . 18010 1 149 . 1 1 13 13 GLU HG3 H 1 2.35 0.03 . 1 . . . A 23 GLU HG3 . 18010 1 150 . 1 1 13 13 GLU C C 13 178.17 0.2 . 1 . . . A 23 GLU C . 18010 1 151 . 1 1 13 13 GLU CA C 13 56.84 0.2 . 1 . . . A 23 GLU CA . 18010 1 152 . 1 1 13 13 GLU CB C 13 29.49 0.2 . 1 . . . A 23 GLU CB . 18010 1 153 . 1 1 13 13 GLU CG C 13 35.62 0.2 . 1 . . . A 23 GLU CG . 18010 1 154 . 1 1 13 13 GLU N N 15 120.06 0.2 . 1 . . . A 23 GLU N . 18010 1 155 . 1 1 14 14 LEU H H 1 8.03 0.03 . 1 . . . A 24 LEU H . 18010 1 156 . 1 1 14 14 LEU HA H 1 4.40 0.03 . 1 . . . A 24 LEU HA . 18010 1 157 . 1 1 14 14 LEU HB2 H 1 1.68 0.03 . 1 . . . A 24 LEU HB2 . 18010 1 158 . 1 1 14 14 LEU HB3 H 1 1.68 0.03 . 1 . . . A 24 LEU HB3 . 18010 1 159 . 1 1 14 14 LEU HG H 1 1.71 0.03 . 1 . . . A 24 LEU HG . 18010 1 160 . 1 1 14 14 LEU HD11 H 1 0.85 0.03 . 1 . . . A 24 LEU HD11 . 18010 1 161 . 1 1 14 14 LEU HD12 H 1 0.85 0.03 . 1 . . . A 24 LEU HD12 . 18010 1 162 . 1 1 14 14 LEU HD13 H 1 0.85 0.03 . 1 . . . A 24 LEU HD13 . 18010 1 163 . 1 1 14 14 LEU HD21 H 1 0.82 0.03 . 1 . . . A 24 LEU HD21 . 18010 1 164 . 1 1 14 14 LEU HD22 H 1 0.82 0.03 . 1 . . . A 24 LEU HD22 . 18010 1 165 . 1 1 14 14 LEU HD23 H 1 0.82 0.03 . 1 . . . A 24 LEU HD23 . 18010 1 166 . 1 1 14 14 LEU C C 13 178.26 0.2 . 1 . . . A 24 LEU C . 18010 1 167 . 1 1 14 14 LEU CA C 13 56.84 0.2 . 1 . . . A 24 LEU CA . 18010 1 168 . 1 1 14 14 LEU CB C 13 42.09 0.2 . 1 . . . A 24 LEU CB . 18010 1 169 . 1 1 14 14 LEU CG C 13 26.81 0.2 . 1 . . . A 24 LEU CG . 18010 1 170 . 1 1 14 14 LEU CD1 C 13 24.67 0.2 . 1 . . . A 24 LEU CD1 . 18010 1 171 . 1 1 14 14 LEU CD2 C 13 23.96 0.2 . 1 . . . A 24 LEU CD2 . 18010 1 172 . 1 1 14 14 LEU N N 15 122.36 0.2 . 1 . . . A 24 LEU N . 18010 1 173 . 1 1 15 15 LEU H H 1 7.99 0.03 . 1 . . . A 25 LEU H . 18010 1 174 . 1 1 15 15 LEU HA H 1 4.06 0.03 . 1 . . . A 25 LEU HA . 18010 1 175 . 1 1 15 15 LEU HB2 H 1 1.51 0.03 . 1 . . . A 25 LEU HB2 . 18010 1 176 . 1 1 15 15 LEU HB3 H 1 1.51 0.03 . 1 . . . A 25 LEU HB3 . 18010 1 177 . 1 1 15 15 LEU HG H 1 1.52 0.03 . 1 . . . A 25 LEU HG . 18010 1 178 . 1 1 15 15 LEU HD11 H 1 0.78 0.03 . 1 . . . A 25 LEU HD11 . 18010 1 179 . 1 1 15 15 LEU HD12 H 1 0.78 0.03 . 1 . . . A 25 LEU HD12 . 18010 1 180 . 1 1 15 15 LEU HD13 H 1 0.78 0.03 . 1 . . . A 25 LEU HD13 . 18010 1 181 . 1 1 15 15 LEU HD21 H 1 0.75 0.03 . 1 . . . A 25 LEU HD21 . 18010 1 182 . 1 1 15 15 LEU HD22 H 1 0.75 0.03 . 1 . . . A 25 LEU HD22 . 18010 1 183 . 1 1 15 15 LEU HD23 H 1 0.75 0.03 . 1 . . . A 25 LEU HD23 . 18010 1 184 . 1 1 15 15 LEU C C 13 177.99 0.2 . 1 . . . A 25 LEU C . 18010 1 185 . 1 1 15 15 LEU CA C 13 56.54 0.2 . 1 . . . A 25 LEU CA . 18010 1 186 . 1 1 15 15 LEU CB C 13 41.92 0.2 . 1 . . . A 25 LEU CB . 18010 1 187 . 1 1 15 15 LEU CG C 13 26.56 0.2 . 1 . . . A 25 LEU CG . 18010 1 188 . 1 1 15 15 LEU CD1 C 13 24.91 0.2 . 1 . . . A 25 LEU CD1 . 18010 1 189 . 1 1 15 15 LEU CD2 C 13 23.18 0.2 . 1 . . . A 25 LEU CD2 . 18010 1 190 . 1 1 15 15 LEU N N 15 120.26 0.2 . 1 . . . A 25 LEU N . 18010 1 191 . 1 1 16 16 LYS H H 1 7.89 0.03 . 1 . . . A 26 LYS H . 18010 1 192 . 1 1 16 16 LYS HA H 1 4.20 0.03 . 1 . . . A 26 LYS HA . 18010 1 193 . 1 1 16 16 LYS HB2 H 1 1.82 0.03 . 1 . . . A 26 LYS HB2 . 18010 1 194 . 1 1 16 16 LYS HB3 H 1 1.82 0.03 . 1 . . . A 26 LYS HB3 . 18010 1 195 . 1 1 16 16 LYS HG2 H 1 1.49 0.03 . 1 . . . A 26 LYS HG2 . 18010 1 196 . 1 1 16 16 LYS HG3 H 1 1.49 0.03 . 1 . . . A 26 LYS HG3 . 18010 1 197 . 1 1 16 16 LYS HD2 H 1 1.67 0.03 . 1 . . . A 26 LYS HD2 . 18010 1 198 . 1 1 16 16 LYS HD3 H 1 1.67 0.03 . 1 . . . A 26 LYS HD3 . 18010 1 199 . 1 1 16 16 LYS HE2 H 1 2.94 0.03 . 1 . . . A 26 LYS HE2 . 18010 1 200 . 1 1 16 16 LYS HE3 H 1 2.94 0.03 . 1 . . . A 26 LYS HE3 . 18010 1 201 . 1 1 16 16 LYS C C 13 177.94 0.2 . 1 . . . A 26 LYS C . 18010 1 202 . 1 1 16 16 LYS CA C 13 57.61 0.2 . 1 . . . A 26 LYS CA . 18010 1 203 . 1 1 16 16 LYS CB C 13 32.80 0.2 . 1 . . . A 26 LYS CB . 18010 1 204 . 1 1 16 16 LYS CG C 13 24.79 0.2 . 1 . . . A 26 LYS CG . 18010 1 205 . 1 1 16 16 LYS CD C 13 24.61 0.2 . 1 . . . A 26 LYS CD . 18010 1 206 . 1 1 16 16 LYS CE C 13 41.81 0.2 . 1 . . . A 26 LYS CE . 18010 1 207 . 1 1 16 16 LYS N N 15 120.68 0.2 . 1 . . . A 26 LYS N . 18010 1 208 . 1 1 17 17 GLU H H 1 8.17 0.03 . 1 . . . A 27 GLU H . 18010 1 209 . 1 1 17 17 GLU HA H 1 4.18 0.03 . 1 . . . A 27 GLU HA . 18010 1 210 . 1 1 17 17 GLU HB2 H 1 2.07 0.03 . 1 . . . A 27 GLU HB2 . 18010 1 211 . 1 1 17 17 GLU HB3 H 1 2.07 0.03 . 1 . . . A 27 GLU HB3 . 18010 1 212 . 1 1 17 17 GLU HG2 H 1 2.35 0.03 . 1 . . . A 27 GLU HG2 . 18010 1 213 . 1 1 17 17 GLU HG3 H 1 2.35 0.03 . 1 . . . A 27 GLU HG3 . 18010 1 214 . 1 1 17 17 GLU CA C 13 57.01 0.2 . 1 . . . A 27 GLU CA . 18010 1 215 . 1 1 17 17 GLU CB C 13 28.93 0.2 . 1 . . . A 27 GLU CB . 18010 1 216 . 1 1 17 17 GLU CG C 13 35.64 0.2 . 1 . . . A 27 GLU CG . 18010 1 217 . 1 1 17 17 GLU N N 15 120.47 0.2 . 1 . . . A 27 GLU N . 18010 1 218 . 1 1 19 19 ARG HA H 1 4.25 0.03 . 1 . . . A 29 ARG HA . 18010 1 219 . 1 1 19 19 ARG HB2 H 1 1.82 0.03 . 1 . . . A 29 ARG HB2 . 18010 1 220 . 1 1 19 19 ARG HB3 H 1 1.82 0.03 . 1 . . . A 29 ARG HB3 . 18010 1 221 . 1 1 19 19 ARG HG2 H 1 1.58 0.03 . 1 . . . A 29 ARG HG2 . 18010 1 222 . 1 1 19 19 ARG HG3 H 1 1.58 0.03 . 1 . . . A 29 ARG HG3 . 18010 1 223 . 1 1 19 19 ARG HD2 H 1 3.18 0.03 . 1 . . . A 29 ARG HD2 . 18010 1 224 . 1 1 19 19 ARG HD3 H 1 3.18 0.03 . 1 . . . A 29 ARG HD3 . 18010 1 225 . 1 1 19 19 ARG HE H 1 7.24 0.03 . 1 . . . A 29 ARG HE . 18010 1 226 . 1 1 19 19 ARG C C 13 175.92 0.2 . 1 . . . A 29 ARG C . 18010 1 227 . 1 1 19 19 ARG CA C 13 55.94 0.2 . 1 . . . A 29 ARG CA . 18010 1 228 . 1 1 19 19 ARG CB C 13 30.18 0.2 . 1 . . . A 29 ARG CB . 18010 1 229 . 1 1 19 19 ARG CG C 13 26.94 0.2 . 1 . . . A 29 ARG CG . 18010 1 230 . 1 1 19 19 ARG CD C 13 43.00 0.2 . 1 . . . A 29 ARG CD . 18010 1 231 . 1 1 19 19 ARG NE N 15 85.12 0.2 . 1 . . . A 29 ARG NE . 18010 1 232 . 1 1 20 20 VAL H H 1 7.99 0.03 . 1 . . . A 30 VAL H . 18010 1 233 . 1 1 20 20 VAL HA H 1 4.33 0.03 . 1 . . . A 30 VAL HA . 18010 1 234 . 1 1 20 20 VAL HB H 1 1.99 0.03 . 1 . . . A 30 VAL HB . 18010 1 235 . 1 1 20 20 VAL HG11 H 1 0.90 0.03 . 1 . . . A 30 VAL HG11 . 18010 1 236 . 1 1 20 20 VAL HG12 H 1 0.90 0.03 . 1 . . . A 30 VAL HG12 . 18010 1 237 . 1 1 20 20 VAL HG13 H 1 0.90 0.03 . 1 . . . A 30 VAL HG13 . 18010 1 238 . 1 1 20 20 VAL HG21 H 1 0.86 0.03 . 1 . . . A 30 VAL HG21 . 18010 1 239 . 1 1 20 20 VAL HG22 H 1 0.86 0.03 . 1 . . . A 30 VAL HG22 . 18010 1 240 . 1 1 20 20 VAL HG23 H 1 0.86 0.03 . 1 . . . A 30 VAL HG23 . 18010 1 241 . 1 1 20 20 VAL CA C 13 59.66 0.2 . 1 . . . A 30 VAL CA . 18010 1 242 . 1 1 20 20 VAL CB C 13 32.78 0.2 . 1 . . . A 30 VAL CB . 18010 1 243 . 1 1 20 20 VAL CG1 C 13 21.09 0.2 . 1 . . . A 30 VAL CG1 . 18010 1 244 . 1 1 20 20 VAL CG2 C 13 20.71 0.2 . 1 . . . A 30 VAL CG2 . 18010 1 245 . 1 1 20 20 VAL N N 15 121.11 0.2 . 1 . . . A 30 VAL N . 18010 1 246 . 1 1 21 21 PRO HA H 1 4.42 0.03 . 1 . . . A 31 PRO HA . 18010 1 247 . 1 1 21 21 PRO HB2 H 1 2.33 0.03 . 1 . . . A 31 PRO HB2 . 18010 1 248 . 1 1 21 21 PRO HB3 H 1 2.33 0.03 . 1 . . . A 31 PRO HB3 . 18010 1 249 . 1 1 21 21 PRO HG2 H 1 1.96 0.03 . 1 . . . A 31 PRO HG2 . 18010 1 250 . 1 1 21 21 PRO HG3 H 1 1.96 0.03 . 1 . . . A 31 PRO HG3 . 18010 1 251 . 1 1 21 21 PRO HD2 H 1 3.88 0.03 . 2 . . . A 31 PRO HD2 . 18010 1 252 . 1 1 21 21 PRO HD3 H 1 3.55 0.03 . 2 . . . A 31 PRO HD3 . 18010 1 253 . 1 1 21 21 PRO CA C 13 62.70 0.2 . 1 . . . A 31 PRO CA . 18010 1 254 . 1 1 21 21 PRO CB C 13 32.39 0.2 . 1 . . . A 31 PRO CB . 18010 1 255 . 1 1 21 21 PRO CG C 13 27.29 0.2 . 1 . . . A 31 PRO CG . 18010 1 256 . 1 1 21 21 PRO CD C 13 50.82 0.2 . 1 . . . A 31 PRO CD . 18010 1 257 . 1 1 22 22 SER H H 1 8.53 0.03 . 1 . . . A 32 SER H . 18010 1 258 . 1 1 22 22 SER HA H 1 4.31 0.03 . 1 . . . A 32 SER HA . 18010 1 259 . 1 1 22 22 SER HB2 H 1 3.93 0.03 . 1 . . . A 32 SER HB2 . 18010 1 260 . 1 1 22 22 SER HB3 H 1 3.93 0.03 . 1 . . . A 32 SER HB3 . 18010 1 261 . 1 1 22 22 SER C C 13 174.60 0.2 . 1 . . . A 32 SER C . 18010 1 262 . 1 1 22 22 SER CA C 13 59.37 0.2 . 1 . . . A 32 SER CA . 18010 1 263 . 1 1 22 22 SER CB C 13 63.87 0.2 . 1 . . . A 32 SER CB . 18010 1 264 . 1 1 22 22 SER N N 15 116.50 0.2 . 1 . . . A 32 SER N . 18010 1 265 . 1 1 23 23 ASN H H 1 8.31 0.03 . 1 . . . A 33 ASN H . 18010 1 266 . 1 1 23 23 ASN HA H 1 4.72 0.03 . 1 . . . A 33 ASN HA . 18010 1 267 . 1 1 23 23 ASN HB2 H 1 2.89 0.03 . 1 . . . A 33 ASN HB2 . 18010 1 268 . 1 1 23 23 ASN HB3 H 1 2.89 0.03 . 1 . . . A 33 ASN HB3 . 18010 1 269 . 1 1 23 23 ASN HD21 H 1 7.60 0.03 . 2 . . . A 33 ASN HD21 . 18010 1 270 . 1 1 23 23 ASN HD22 H 1 6.87 0.03 . 2 . . . A 33 ASN HD22 . 18010 1 271 . 1 1 23 23 ASN C C 13 175.22 0.2 . 1 . . . A 33 ASN C . 18010 1 272 . 1 1 23 23 ASN CA C 13 52.95 0.2 . 1 . . . A 33 ASN CA . 18010 1 273 . 1 1 23 23 ASN CB C 13 38.30 0.2 . 1 . . . A 33 ASN CB . 18010 1 274 . 1 1 23 23 ASN N N 15 119.05 0.2 . 1 . . . A 33 ASN N . 18010 1 275 . 1 1 23 23 ASN ND2 N 15 112.57 0.2 . 1 . . . A 33 ASN ND2 . 18010 1 276 . 1 1 24 24 ALA H H 1 7.96 0.03 . 1 . . . A 34 ALA H . 18010 1 277 . 1 1 24 24 ALA HA H 1 4.30 0.03 . 1 . . . A 34 ALA HA . 18010 1 278 . 1 1 24 24 ALA HB1 H 1 1.35 0.03 . 1 . . . A 34 ALA HB1 . 18010 1 279 . 1 1 24 24 ALA HB2 H 1 1.35 0.03 . 1 . . . A 34 ALA HB2 . 18010 1 280 . 1 1 24 24 ALA HB3 H 1 1.35 0.03 . 1 . . . A 34 ALA HB3 . 18010 1 281 . 1 1 24 24 ALA C C 13 178.10 0.2 . 1 . . . A 34 ALA C . 18010 1 282 . 1 1 24 24 ALA CA C 13 53.02 0.2 . 1 . . . A 34 ALA CA . 18010 1 283 . 1 1 24 24 ALA CB C 13 19.26 0.2 . 1 . . . A 34 ALA CB . 18010 1 284 . 1 1 24 24 ALA N N 15 123.61 0.2 . 1 . . . A 34 ALA N . 18010 1 285 . 1 1 25 25 SER H H 1 8.35 0.03 . 1 . . . A 35 SER H . 18010 1 286 . 1 1 25 25 SER HA H 1 4.49 0.03 . 1 . . . A 35 SER HA . 18010 1 287 . 1 1 25 25 SER HB2 H 1 4.16 0.03 . 1 . . . A 35 SER HB2 . 18010 1 288 . 1 1 25 25 SER HB3 H 1 4.16 0.03 . 1 . . . A 35 SER HB3 . 18010 1 289 . 1 1 25 25 SER C C 13 175.38 0.2 . 1 . . . A 35 SER C . 18010 1 290 . 1 1 25 25 SER CA C 13 58.29 0.2 . 1 . . . A 35 SER CA . 18010 1 291 . 1 1 25 25 SER CB C 13 64.10 0.2 . 1 . . . A 35 SER CB . 18010 1 292 . 1 1 25 25 SER N N 15 116.14 0.2 . 1 . . . A 35 SER N . 18010 1 293 . 1 1 26 26 TRP H H 1 8.57 0.03 . 1 . . . A 36 TRP H . 18010 1 294 . 1 1 26 26 TRP HA H 1 4.31 0.03 . 1 . . . A 36 TRP HA . 18010 1 295 . 1 1 26 26 TRP HB2 H 1 3.24 0.03 . 1 . . . A 36 TRP HB2 . 18010 1 296 . 1 1 26 26 TRP HB3 H 1 3.24 0.03 . 1 . . . A 36 TRP HB3 . 18010 1 297 . 1 1 26 26 TRP HD1 H 1 7.22 0.03 . 1 . . . A 36 TRP HD1 . 18010 1 298 . 1 1 26 26 TRP HE3 H 1 7.43 0.03 . 1 . . . A 36 TRP HE3 . 18010 1 299 . 1 1 26 26 TRP HZ3 H 1 6.99 0.03 . 1 . . . A 36 TRP HZ3 . 18010 1 300 . 1 1 26 26 TRP C C 13 177.06 0.2 . 1 . . . A 36 TRP C . 18010 1 301 . 1 1 26 26 TRP CA C 13 59.19 0.2 . 1 . . . A 36 TRP CA . 18010 1 302 . 1 1 26 26 TRP CB C 13 28.72 0.2 . 1 . . . A 36 TRP CB . 18010 1 303 . 1 1 26 26 TRP CD1 C 13 126.36 0.2 . 1 . . . A 36 TRP CD1 . 18010 1 304 . 1 1 26 26 TRP CE3 C 13 120.01 0.2 . 1 . . . A 36 TRP CE3 . 18010 1 305 . 1 1 26 26 TRP CZ3 C 13 120.57 0.2 . 1 . . . A 36 TRP CZ3 . 18010 1 306 . 1 1 26 26 TRP N N 15 123.67 0.2 . 1 . . . A 36 TRP N . 18010 1 307 . 1 1 27 27 GLU H H 1 8.32 0.03 . 1 . . . A 37 GLU H . 18010 1 308 . 1 1 27 27 GLU HA H 1 3.74 0.03 . 1 . . . A 37 GLU HA . 18010 1 309 . 1 1 27 27 GLU HB2 H 1 1.91 0.03 . 1 . . . A 37 GLU HB2 . 18010 1 310 . 1 1 27 27 GLU HB3 H 1 1.91 0.03 . 1 . . . A 37 GLU HB3 . 18010 1 311 . 1 1 27 27 GLU HG2 H 1 2.14 0.03 . 1 . . . A 37 GLU HG2 . 18010 1 312 . 1 1 27 27 GLU HG3 H 1 2.14 0.03 . 1 . . . A 37 GLU HG3 . 18010 1 313 . 1 1 27 27 GLU C C 13 178.57 0.2 . 1 . . . A 37 GLU C . 18010 1 314 . 1 1 27 27 GLU CA C 13 59.46 0.2 . 1 . . . A 37 GLU CA . 18010 1 315 . 1 1 27 27 GLU CB C 13 29.30 0.2 . 1 . . . A 37 GLU CB . 18010 1 316 . 1 1 27 27 GLU CG C 13 36.05 0.2 . 1 . . . A 37 GLU CG . 18010 1 317 . 1 1 27 27 GLU N N 15 119.05 0.2 . 1 . . . A 37 GLU N . 18010 1 318 . 1 1 28 28 GLN H H 1 7.79 0.03 . 1 . . . A 38 GLN H . 18010 1 319 . 1 1 28 28 GLN HA H 1 3.98 0.03 . 1 . . . A 38 GLN HA . 18010 1 320 . 1 1 28 28 GLN HB2 H 1 2.13 0.03 . 1 . . . A 38 GLN HB2 . 18010 1 321 . 1 1 28 28 GLN HB3 H 1 2.13 0.03 . 1 . . . A 38 GLN HB3 . 18010 1 322 . 1 1 28 28 GLN HG2 H 1 2.38 0.03 . 1 . . . A 38 GLN HG2 . 18010 1 323 . 1 1 28 28 GLN HG3 H 1 2.38 0.03 . 1 . . . A 38 GLN HG3 . 18010 1 324 . 1 1 28 28 GLN HE21 H 1 6.88 0.03 . 2 . . . A 38 GLN HE21 . 18010 1 325 . 1 1 28 28 GLN HE22 H 1 7.45 0.03 . 2 . . . A 38 GLN HE22 . 18010 1 326 . 1 1 28 28 GLN C C 13 177.94 0.2 . 1 . . . A 38 GLN C . 18010 1 327 . 1 1 28 28 GLN CA C 13 56.63 0.2 . 1 . . . A 38 GLN CA . 18010 1 328 . 1 1 28 28 GLN CB C 13 30.42 0.2 . 1 . . . A 38 GLN CB . 18010 1 329 . 1 1 28 28 GLN CG C 13 33.57 0.2 . 1 . . . A 38 GLN CG . 18010 1 330 . 1 1 28 28 GLN N N 15 118.90 0.2 . 1 . . . A 38 GLN N . 18010 1 331 . 1 1 28 28 GLN NE2 N 15 111.99 0.2 . 1 . . . A 38 GLN NE2 . 18010 1 332 . 1 1 29 29 ALA H H 1 8.17 0.03 . 1 . . . A 39 ALA H . 18010 1 333 . 1 1 29 29 ALA HA H 1 3.98 0.03 . 1 . . . A 39 ALA HA . 18010 1 334 . 1 1 29 29 ALA HB1 H 1 1.25 0.03 . 1 . . . A 39 ALA HB1 . 18010 1 335 . 1 1 29 29 ALA HB2 H 1 1.25 0.03 . 1 . . . A 39 ALA HB2 . 18010 1 336 . 1 1 29 29 ALA HB3 H 1 1.25 0.03 . 1 . . . A 39 ALA HB3 . 18010 1 337 . 1 1 29 29 ALA C C 13 179.11 0.2 . 1 . . . A 39 ALA C . 18010 1 338 . 1 1 29 29 ALA CA C 13 54.56 0.2 . 1 . . . A 39 ALA CA . 18010 1 339 . 1 1 29 29 ALA CB C 13 18.58 0.2 . 1 . . . A 39 ALA CB . 18010 1 340 . 1 1 29 29 ALA N N 15 122.81 0.2 . 1 . . . A 39 ALA N . 18010 1 341 . 1 1 30 30 MET H H 1 8.15 0.03 . 1 . . . A 40 MET H . 18010 1 342 . 1 1 30 30 MET HA H 1 4.07 0.03 . 1 . . . A 40 MET HA . 18010 1 343 . 1 1 30 30 MET HB2 H 1 2.05 0.03 . 1 . . . A 40 MET HB2 . 18010 1 344 . 1 1 30 30 MET HB3 H 1 2.05 0.03 . 1 . . . A 40 MET HB3 . 18010 1 345 . 1 1 30 30 MET HG2 H 1 2.24 0.03 . 1 . . . A 40 MET HG2 . 18010 1 346 . 1 1 30 30 MET HG3 H 1 2.24 0.03 . 1 . . . A 40 MET HG3 . 18010 1 347 . 1 1 30 30 MET HE1 H 1 1.78 0.03 . 1 . . . A 40 MET HE1 . 18010 1 348 . 1 1 30 30 MET HE2 H 1 1.78 0.03 . 1 . . . A 40 MET HE2 . 18010 1 349 . 1 1 30 30 MET HE3 H 1 1.78 0.03 . 1 . . . A 40 MET HE3 . 18010 1 350 . 1 1 30 30 MET C C 13 177.71 0.2 . 1 . . . A 40 MET C . 18010 1 351 . 1 1 30 30 MET CA C 13 56.93 0.2 . 1 . . . A 40 MET CA . 18010 1 352 . 1 1 30 30 MET CB C 13 32.00 0.2 . 1 . . . A 40 MET CB . 18010 1 353 . 1 1 30 30 MET CG C 13 31.58 0.2 . 1 . . . A 40 MET CG . 18010 1 354 . 1 1 30 30 MET CE C 13 17.12 0.2 . 1 . . . A 40 MET CE . 18010 1 355 . 1 1 30 30 MET N N 15 116.27 0.2 . 1 . . . A 40 MET N . 18010 1 356 . 1 1 31 31 LYS H H 1 7.62 0.03 . 1 . . . A 41 LYS H . 18010 1 357 . 1 1 31 31 LYS HA H 1 3.96 0.03 . 1 . . . A 41 LYS HA . 18010 1 358 . 1 1 31 31 LYS HB2 H 1 1.78 0.03 . 1 . . . A 41 LYS HB2 . 18010 1 359 . 1 1 31 31 LYS HB3 H 1 1.78 0.03 . 1 . . . A 41 LYS HB3 . 18010 1 360 . 1 1 31 31 LYS HG2 H 1 1.39 0.03 . 2 . . . A 41 LYS HG2 . 18010 1 361 . 1 1 31 31 LYS HG3 H 1 1.51 0.03 . 2 . . . A 41 LYS HG3 . 18010 1 362 . 1 1 31 31 LYS HD2 H 1 2.04 0.03 . 1 . . . A 41 LYS HD2 . 18010 1 363 . 1 1 31 31 LYS HD3 H 1 2.04 0.03 . 1 . . . A 41 LYS HD3 . 18010 1 364 . 1 1 31 31 LYS C C 13 177.86 0.2 . 1 . . . A 41 LYS C . 18010 1 365 . 1 1 31 31 LYS CA C 13 58.58 0.2 . 1 . . . A 41 LYS CA . 18010 1 366 . 1 1 31 31 LYS CB C 13 32.44 0.2 . 1 . . . A 41 LYS CB . 18010 1 367 . 1 1 31 31 LYS CG C 13 24.92 0.2 . 1 . . . A 41 LYS CG . 18010 1 368 . 1 1 31 31 LYS CD C 13 29.07 0.2 . 1 . . . A 41 LYS CD . 18010 1 369 . 1 1 31 31 LYS CE C 13 41.80 0.2 . 1 . . . A 41 LYS CE . 18010 1 370 . 1 1 31 31 LYS N N 15 118.73 0.2 . 1 . . . A 41 LYS N . 18010 1 371 . 1 1 32 32 MET H H 1 7.68 0.03 . 1 . . . A 42 MET H . 18010 1 372 . 1 1 32 32 MET HA H 1 4.26 0.03 . 1 . . . A 42 MET HA . 18010 1 373 . 1 1 32 32 MET HB2 H 1 2.09 0.03 . 1 . . . A 42 MET HB2 . 18010 1 374 . 1 1 32 32 MET HB3 H 1 2.09 0.03 . 1 . . . A 42 MET HB3 . 18010 1 375 . 1 1 32 32 MET HG2 H 1 2.55 0.03 . 2 . . . A 42 MET HG2 . 18010 1 376 . 1 1 32 32 MET HG3 H 1 2.71 0.03 . 2 . . . A 42 MET HG3 . 18010 1 377 . 1 1 32 32 MET HE1 H 1 2.05 0.03 . 1 . . . A 42 MET HE1 . 18010 1 378 . 1 1 32 32 MET HE2 H 1 2.05 0.03 . 1 . . . A 42 MET HE2 . 18010 1 379 . 1 1 32 32 MET HE3 H 1 2.05 0.03 . 1 . . . A 42 MET HE3 . 18010 1 380 . 1 1 32 32 MET C C 13 177.46 0.2 . 1 . . . A 42 MET C . 18010 1 381 . 1 1 32 32 MET CA C 13 57.23 0.2 . 1 . . . A 42 MET CA . 18010 1 382 . 1 1 32 32 MET CB C 13 32.85 0.2 . 1 . . . A 42 MET CB . 18010 1 383 . 1 1 32 32 MET CG C 13 32.54 0.2 . 1 . . . A 42 MET CG . 18010 1 384 . 1 1 32 32 MET CE C 13 16.98 0.2 . 1 . . . A 42 MET CE . 18010 1 385 . 1 1 32 32 MET N N 15 117.33 0.2 . 1 . . . A 42 MET N . 18010 1 386 . 1 1 33 33 ILE H H 1 7.74 0.03 . 1 . . . A 43 ILE H . 18010 1 387 . 1 1 33 33 ILE HA H 1 4.05 0.03 . 1 . . . A 43 ILE HA . 18010 1 388 . 1 1 33 33 ILE HB H 1 1.91 0.03 . 1 . . . A 43 ILE HB . 18010 1 389 . 1 1 33 33 ILE HG12 H 1 1.44 0.03 . 1 . . . A 43 ILE HG12 . 18010 1 390 . 1 1 33 33 ILE HG13 H 1 1.44 0.03 . 1 . . . A 43 ILE HG13 . 18010 1 391 . 1 1 33 33 ILE HG21 H 1 0.74 0.03 . 1 . . . A 43 ILE HG21 . 18010 1 392 . 1 1 33 33 ILE HG22 H 1 0.74 0.03 . 1 . . . A 43 ILE HG22 . 18010 1 393 . 1 1 33 33 ILE HG23 H 1 0.74 0.03 . 1 . . . A 43 ILE HG23 . 18010 1 394 . 1 1 33 33 ILE HD11 H 1 0.75 0.03 . 1 . . . A 43 ILE HD11 . 18010 1 395 . 1 1 33 33 ILE HD12 H 1 0.75 0.03 . 1 . . . A 43 ILE HD12 . 18010 1 396 . 1 1 33 33 ILE HD13 H 1 0.75 0.03 . 1 . . . A 43 ILE HD13 . 18010 1 397 . 1 1 33 33 ILE C C 13 176.78 0.2 . 1 . . . A 43 ILE C . 18010 1 398 . 1 1 33 33 ILE CA C 13 62.83 0.2 . 1 . . . A 43 ILE CA . 18010 1 399 . 1 1 33 33 ILE CB C 13 38.70 0.2 . 1 . . . A 43 ILE CB . 18010 1 400 . 1 1 33 33 ILE CG1 C 13 27.29 0.2 . 1 . . . A 43 ILE CG1 . 18010 1 401 . 1 1 33 33 ILE CG2 C 13 17.54 0.2 . 1 . . . A 43 ILE CG2 . 18010 1 402 . 1 1 33 33 ILE CD1 C 13 13.34 0.2 . 1 . . . A 43 ILE CD1 . 18010 1 403 . 1 1 33 33 ILE N N 15 118.21 0.2 . 1 . . . A 43 ILE N . 18010 1 404 . 1 1 34 34 ILE H H 1 7.77 0.03 . 1 . . . A 44 ILE H . 18010 1 405 . 1 1 34 34 ILE HA H 1 4.11 0.03 . 1 . . . A 44 ILE HA . 18010 1 406 . 1 1 34 34 ILE HB H 1 1.55 0.03 . 1 . . . A 44 ILE HB . 18010 1 407 . 1 1 34 34 ILE HG12 H 1 1.37 0.03 . 1 . . . A 44 ILE HG12 . 18010 1 408 . 1 1 34 34 ILE HG13 H 1 1.37 0.03 . 1 . . . A 44 ILE HG13 . 18010 1 409 . 1 1 34 34 ILE HG21 H 1 0.82 0.03 . 1 . . . A 44 ILE HG21 . 18010 1 410 . 1 1 34 34 ILE HG22 H 1 0.82 0.03 . 1 . . . A 44 ILE HG22 . 18010 1 411 . 1 1 34 34 ILE HG23 H 1 0.82 0.03 . 1 . . . A 44 ILE HG23 . 18010 1 412 . 1 1 34 34 ILE HD11 H 1 0.69 0.03 . 1 . . . A 44 ILE HD11 . 18010 1 413 . 1 1 34 34 ILE HD12 H 1 0.69 0.03 . 1 . . . A 44 ILE HD12 . 18010 1 414 . 1 1 34 34 ILE HD13 H 1 0.69 0.03 . 1 . . . A 44 ILE HD13 . 18010 1 415 . 1 1 34 34 ILE C C 13 175.92 0.2 . 1 . . . A 44 ILE C . 18010 1 416 . 1 1 34 34 ILE CA C 13 62.68 0.2 . 1 . . . A 44 ILE CA . 18010 1 417 . 1 1 34 34 ILE CB C 13 38.91 0.2 . 1 . . . A 44 ILE CB . 18010 1 418 . 1 1 34 34 ILE CG1 C 13 27.81 0.2 . 1 . . . A 44 ILE CG1 . 18010 1 419 . 1 1 34 34 ILE CG2 C 13 17.29 0.2 . 1 . . . A 44 ILE CG2 . 18010 1 420 . 1 1 34 34 ILE CD1 C 13 13.34 0.2 . 1 . . . A 44 ILE CD1 . 18010 1 421 . 1 1 34 34 ILE N N 15 119.00 0.2 . 1 . . . A 44 ILE N . 18010 1 422 . 1 1 35 35 ASN H H 1 7.87 0.03 . 1 . . . A 45 ASN H . 18010 1 423 . 1 1 35 35 ASN HA H 1 4.72 0.03 . 1 . . . A 45 ASN HA . 18010 1 424 . 1 1 35 35 ASN HB2 H 1 2.72 0.03 . 2 . . . A 45 ASN HB2 . 18010 1 425 . 1 1 35 35 ASN HB3 H 1 2.86 0.03 . 2 . . . A 45 ASN HB3 . 18010 1 426 . 1 1 35 35 ASN HD21 H 1 7.71 0.03 . 1 . . . A 45 ASN HD21 . 18010 1 427 . 1 1 35 35 ASN HD22 H 1 6.91 0.03 . 1 . . . A 45 ASN HD22 . 18010 1 428 . 1 1 35 35 ASN C C 13 174.60 0.2 . 1 . . . A 45 ASN C . 18010 1 429 . 1 1 35 35 ASN CA C 13 53.23 0.2 . 1 . . . A 45 ASN CA . 18010 1 430 . 1 1 35 35 ASN CB C 13 39.09 0.2 . 1 . . . A 45 ASN CB . 18010 1 431 . 1 1 35 35 ASN N N 15 118.21 0.2 . 1 . . . A 45 ASN N . 18010 1 432 . 1 1 35 35 ASN ND2 N 15 113.29 0.2 . 1 . . . A 45 ASN ND2 . 18010 1 433 . 1 1 36 36 ASP H H 1 7.92 0.03 . 1 . . . A 46 ASP H . 18010 1 434 . 1 1 36 36 ASP HA H 1 4.93 0.03 . 1 . . . A 46 ASP HA . 18010 1 435 . 1 1 36 36 ASP HB2 H 1 3.08 0.03 . 2 . . . A 46 ASP HB2 . 18010 1 436 . 1 1 36 36 ASP HB3 H 1 2.66 0.03 . 2 . . . A 46 ASP HB3 . 18010 1 437 . 1 1 36 36 ASP C C 13 175.63 0.03 . 1 . . . A 46 ASP C . 18010 1 438 . 1 1 36 36 ASP CA C 13 51.97 0.2 . 1 . . . A 46 ASP CA . 18010 1 439 . 1 1 36 36 ASP CB C 13 43.13 0.2 . 1 . . . A 46 ASP CB . 18010 1 440 . 1 1 36 36 ASP N N 15 123.51 0.2 . 1 . . . A 46 ASP N . 18010 1 441 . 1 1 37 37 PRO HA H 1 4.45 0.03 . 1 . . . A 47 PRO HA . 18010 1 442 . 1 1 37 37 PRO HB2 H 1 2.38 0.03 . 1 . . . A 47 PRO HB2 . 18010 1 443 . 1 1 37 37 PRO HB3 H 1 2.38 0.03 . 1 . . . A 47 PRO HB3 . 18010 1 444 . 1 1 37 37 PRO HG2 H 1 2.05 0.03 . 1 . . . A 47 PRO HG2 . 18010 1 445 . 1 1 37 37 PRO HG3 H 1 2.05 0.03 . 1 . . . A 47 PRO HG3 . 18010 1 446 . 1 1 37 37 PRO HD2 H 1 3.97 0.03 . 1 . . . A 47 PRO HD2 . 18010 1 447 . 1 1 37 37 PRO HD3 H 1 3.97 0.03 . 1 . . . A 47 PRO HD3 . 18010 1 448 . 1 1 37 37 PRO C C 13 178.10 0.2 . 1 . . . A 47 PRO C . 18010 1 449 . 1 1 37 37 PRO CA C 13 64.09 0.2 . 1 . . . A 47 PRO CA . 18010 1 450 . 1 1 37 37 PRO CB C 13 32.04 0.2 . 1 . . . A 47 PRO CB . 18010 1 451 . 1 1 37 37 PRO CG C 13 27.04 0.2 . 1 . . . A 47 PRO CG . 18010 1 452 . 1 1 37 37 PRO CD C 13 51.00 0.2 . 1 . . . A 47 PRO CD . 18010 1 453 . 1 1 38 38 ARG H H 1 8.78 0.03 . 1 . . . A 48 ARG H . 18010 1 454 . 1 1 38 38 ARG HA H 1 4.09 0.03 . 1 . . . A 48 ARG HA . 18010 1 455 . 1 1 38 38 ARG HB2 H 1 1.38 0.03 . 1 . . . A 48 ARG HB2 . 18010 1 456 . 1 1 38 38 ARG HB3 H 1 1.38 0.03 . 1 . . . A 48 ARG HB3 . 18010 1 457 . 1 1 38 38 ARG HG2 H 1 1.54 0.03 . 1 . . . A 48 ARG HG2 . 18010 1 458 . 1 1 38 38 ARG HG3 H 1 1.54 0.03 . 1 . . . A 48 ARG HG3 . 18010 1 459 . 1 1 38 38 ARG HD2 H 1 3.04 0.03 . 2 . . . A 48 ARG HD2 . 18010 1 460 . 1 1 38 38 ARG HD3 H 1 3.18 0.03 . 2 . . . A 48 ARG HD3 . 18010 1 461 . 1 1 38 38 ARG HE H 1 7.57 0.03 . 1 . . . A 48 ARG HE . 18010 1 462 . 1 1 38 38 ARG C C 13 177.70 0.2 . 1 . . . A 48 ARG C . 18010 1 463 . 1 1 38 38 ARG CA C 13 57.81 0.2 . 1 . . . A 48 ARG CA . 18010 1 464 . 1 1 38 38 ARG CB C 13 30.16 0.2 . 1 . . . A 48 ARG CB . 18010 1 465 . 1 1 38 38 ARG CG C 13 26.49 0.2 . 1 . . . A 48 ARG CG . 18010 1 466 . 1 1 38 38 ARG CD C 13 43.06 0.2 . 1 . . . A 48 ARG CD . 18010 1 467 . 1 1 38 38 ARG N N 15 118.49 0.2 . 1 . . . A 48 ARG N . 18010 1 468 . 1 1 38 38 ARG NE N 15 84.71 0.2 . 1 . . . A 48 ARG NE . 18010 1 469 . 1 1 39 39 TYR H H 1 7.90 0.03 . 1 . . . A 49 TYR H . 18010 1 470 . 1 1 39 39 TYR HA H 1 4.53 0.03 . 1 . . . A 49 TYR HA . 18010 1 471 . 1 1 39 39 TYR HB2 H 1 3.22 0.03 . 2 . . . A 49 TYR HB2 . 18010 1 472 . 1 1 39 39 TYR HB3 H 1 3.02 0.03 . 2 . . . A 49 TYR HB3 . 18010 1 473 . 1 1 39 39 TYR HD1 H 1 7.06 0.03 . 3 . . . A 49 TYR HD1 . 18010 1 474 . 1 1 39 39 TYR HD2 H 1 7.91 0.03 . 3 . . . A 49 TYR HD2 . 18010 1 475 . 1 1 39 39 TYR HE1 H 1 6.74 0.03 . 1 . . . A 49 TYR HE1 . 18010 1 476 . 1 1 39 39 TYR HE2 H 1 6.74 0.03 . 1 . . . A 49 TYR HE2 . 18010 1 477 . 1 1 39 39 TYR C C 13 176.55 0.2 . 1 . . . A 49 TYR C . 18010 1 478 . 1 1 39 39 TYR CA C 13 58.95 0.2 . 1 . . . A 49 TYR CA . 18010 1 479 . 1 1 39 39 TYR CB C 13 38.99 0.2 . 1 . . . A 49 TYR CB . 18010 1 480 . 1 1 39 39 TYR CD1 C 13 132.14 0.2 . 1 . . . A 49 TYR CD1 . 18010 1 481 . 1 1 39 39 TYR CD2 C 13 137.79 0.2 . 1 . . . A 49 TYR CD2 . 18010 1 482 . 1 1 39 39 TYR CE1 C 13 117.46 0.2 . 1 . . . A 49 TYR CE1 . 18010 1 483 . 1 1 39 39 TYR CE2 C 13 117.46 0.2 . 1 . . . A 49 TYR CE2 . 18010 1 484 . 1 1 39 39 TYR N N 15 118.35 0.2 . 1 . . . A 49 TYR N . 18010 1 485 . 1 1 40 40 SER H H 1 7.93 0.03 . 1 . . . A 50 SER H . 18010 1 486 . 1 1 40 40 SER HA H 1 4.23 0.03 . 1 . . . A 50 SER HA . 18010 1 487 . 1 1 40 40 SER HB2 H 1 3.93 0.03 . 1 . . . A 50 SER HB2 . 18010 1 488 . 1 1 40 40 SER HB3 H 1 3.93 0.03 . 1 . . . A 50 SER HB3 . 18010 1 489 . 1 1 40 40 SER C C 13 175.57 0.2 . 1 . . . A 50 SER C . 18010 1 490 . 1 1 40 40 SER CA C 13 60.08 0.2 . 1 . . . A 50 SER CA . 18010 1 491 . 1 1 40 40 SER CB C 13 63.23 0.2 . 1 . . . A 50 SER CB . 18010 1 492 . 1 1 40 40 SER N N 15 115.79 0.2 . 1 . . . A 50 SER N . 18010 1 493 . 1 1 41 41 ALA H H 1 8.18 0.03 . 1 . . . A 51 ALA H . 18010 1 494 . 1 1 41 41 ALA HA H 1 4.23 0.03 . 1 . . . A 51 ALA HA . 18010 1 495 . 1 1 41 41 ALA HB1 H 1 1.44 0.03 . 1 . . . A 51 ALA HB1 . 18010 1 496 . 1 1 41 41 ALA HB2 H 1 1.44 0.03 . 1 . . . A 51 ALA HB2 . 18010 1 497 . 1 1 41 41 ALA HB3 H 1 1.44 0.03 . 1 . . . A 51 ALA HB3 . 18010 1 498 . 1 1 41 41 ALA C C 13 178.57 0.2 . 1 . . . A 51 ALA C . 18010 1 499 . 1 1 41 41 ALA CA C 13 53.88 0.2 . 1 . . . A 51 ALA CA . 18010 1 500 . 1 1 41 41 ALA CB C 13 18.84 0.2 . 1 . . . A 51 ALA CB . 18010 1 501 . 1 1 42 42 LEU H H 1 7.79 0.03 . 1 . . . A 52 LEU H . 18010 1 502 . 1 1 42 42 LEU HA H 1 4.17 0.03 . 1 . . . A 52 LEU HA . 18010 1 503 . 1 1 42 42 LEU HB2 H 1 1.53 0.03 . 1 . . . A 52 LEU HB2 . 18010 1 504 . 1 1 42 42 LEU HB3 H 1 1.53 0.03 . 1 . . . A 52 LEU HB3 . 18010 1 505 . 1 1 42 42 LEU HG H 1 1.72 0.03 . 1 . . . A 52 LEU HG . 18010 1 506 . 1 1 42 42 LEU HD11 H 1 0.88 0.03 . 1 . . . A 52 LEU HD11 . 18010 1 507 . 1 1 42 42 LEU HD12 H 1 0.88 0.03 . 1 . . . A 52 LEU HD12 . 18010 1 508 . 1 1 42 42 LEU HD13 H 1 0.88 0.03 . 1 . . . A 52 LEU HD13 . 18010 1 509 . 1 1 42 42 LEU HD21 H 1 0.83 0.03 . 1 . . . A 52 LEU HD21 . 18010 1 510 . 1 1 42 42 LEU HD22 H 1 0.83 0.03 . 1 . . . A 52 LEU HD22 . 18010 1 511 . 1 1 42 42 LEU HD23 H 1 0.83 0.03 . 1 . . . A 52 LEU HD23 . 18010 1 512 . 1 1 42 42 LEU C C 13 178.14 0.2 . 1 . . . A 52 LEU C . 18010 1 513 . 1 1 42 42 LEU CA C 13 56.16 0.2 . 1 . . . A 52 LEU CA . 18010 1 514 . 1 1 42 42 LEU CB C 13 42.07 0.2 . 1 . . . A 52 LEU CB . 18010 1 515 . 1 1 42 42 LEU CG C 13 26.72 0.2 . 1 . . . A 52 LEU CG . 18010 1 516 . 1 1 42 42 LEU CD1 C 13 24.90 0.2 . 1 . . . A 52 LEU CD1 . 18010 1 517 . 1 1 42 42 LEU CD2 C 13 23.25 0.2 . 1 . . . A 52 LEU CD2 . 18010 1 518 . 1 1 42 42 LEU N N 15 118.90 0.2 . 1 . . . A 52 LEU N . 18010 1 519 . 1 1 43 43 ALA H H 1 7.99 0.03 . 1 . . . A 53 ALA H . 18010 1 520 . 1 1 43 43 ALA HA H 1 4.11 0.03 . 1 . . . A 53 ALA HA . 18010 1 521 . 1 1 43 43 ALA HB1 H 1 1.35 0.03 . 1 . . . A 53 ALA HB1 . 18010 1 522 . 1 1 43 43 ALA HB2 H 1 1.35 0.03 . 1 . . . A 53 ALA HB2 . 18010 1 523 . 1 1 43 43 ALA HB3 H 1 1.35 0.03 . 1 . . . A 53 ALA HB3 . 18010 1 524 . 1 1 43 43 ALA C C 13 178.49 0.2 . 1 . . . A 53 ALA C . 18010 1 525 . 1 1 43 43 ALA CA C 13 53.59 0.2 . 1 . . . A 53 ALA CA . 18010 1 526 . 1 1 43 43 ALA CB C 13 18.84 0.2 . 1 . . . A 53 ALA CB . 18010 1 527 . 1 1 43 43 ALA N N 15 122.85 0.2 . 1 . . . A 53 ALA N . 18010 1 528 . 1 1 44 44 LYS H H 1 7.85 0.03 . 1 . . . A 54 LYS H . 18010 1 529 . 1 1 44 44 LYS HA H 1 4.23 0.03 . 1 . . . A 54 LYS HA . 18010 1 530 . 1 1 44 44 LYS HB2 H 1 1.82 0.03 . 1 . . . A 54 LYS HB2 . 18010 1 531 . 1 1 44 44 LYS HB3 H 1 1.82 0.03 . 1 . . . A 54 LYS HB3 . 18010 1 532 . 1 1 44 44 LYS HG2 H 1 1.49 0.03 . 1 . . . A 54 LYS HG2 . 18010 1 533 . 1 1 44 44 LYS HG3 H 1 1.49 0.03 . 1 . . . A 54 LYS HG3 . 18010 1 534 . 1 1 44 44 LYS HD2 H 1 1.68 0.03 . 1 . . . A 54 LYS HD2 . 18010 1 535 . 1 1 44 44 LYS HD3 H 1 1.68 0.03 . 1 . . . A 54 LYS HD3 . 18010 1 536 . 1 1 44 44 LYS HE2 H 1 2.99 0.03 . 1 . . . A 54 LYS HE2 . 18010 1 537 . 1 1 44 44 LYS HE3 H 1 2.99 0.03 . 1 . . . A 54 LYS HE3 . 18010 1 538 . 1 1 44 44 LYS CA C 13 56.97 0.2 . 1 . . . A 54 LYS CA . 18010 1 539 . 1 1 44 44 LYS CB C 13 32.60 0.2 . 1 . . . A 54 LYS CB . 18010 1 540 . 1 1 44 44 LYS CG C 13 24.63 0.2 . 1 . . . A 54 LYS CG . 18010 1 541 . 1 1 44 44 LYS CD C 13 29.66 0.2 . 1 . . . A 54 LYS CD . 18010 1 542 . 1 1 44 44 LYS CE C 13 41.83 0.2 . 1 . . . A 54 LYS CE . 18010 1 543 . 1 1 44 44 LYS N N 15 118.37 0.2 . 1 . . . A 54 LYS N . 18010 1 544 . 1 1 45 45 LEU H H 1 7.92 0.03 . 1 . . . A 55 LEU H . 18010 1 545 . 1 1 45 45 LEU HA H 1 4.28 0.03 . 1 . . . A 55 LEU HA . 18010 1 546 . 1 1 45 45 LEU HB2 H 1 1.75 0.03 . 1 . . . A 55 LEU HB2 . 18010 1 547 . 1 1 45 45 LEU HB3 H 1 1.75 0.03 . 1 . . . A 55 LEU HB3 . 18010 1 548 . 1 1 45 45 LEU HG H 1 1.61 0.03 . 1 . . . A 55 LEU HG . 18010 1 549 . 1 1 45 45 LEU HD11 H 1 0.92 0.03 . 1 . . . A 55 LEU HD11 . 18010 1 550 . 1 1 45 45 LEU HD12 H 1 0.92 0.03 . 1 . . . A 55 LEU HD12 . 18010 1 551 . 1 1 45 45 LEU HD13 H 1 0.92 0.03 . 1 . . . A 55 LEU HD13 . 18010 1 552 . 1 1 45 45 LEU HD21 H 1 0.86 0.03 . 1 . . . A 55 LEU HD21 . 18010 1 553 . 1 1 45 45 LEU HD22 H 1 0.86 0.03 . 1 . . . A 55 LEU HD22 . 18010 1 554 . 1 1 45 45 LEU HD23 H 1 0.86 0.03 . 1 . . . A 55 LEU HD23 . 18010 1 555 . 1 1 45 45 LEU C C 13 177.79 0.2 . 1 . . . A 55 LEU C . 18010 1 556 . 1 1 45 45 LEU CA C 13 56.05 0.2 . 1 . . . A 55 LEU CA . 18010 1 557 . 1 1 45 45 LEU CB C 13 42.22 0.2 . 1 . . . A 55 LEU CB . 18010 1 558 . 1 1 45 45 LEU CG C 13 26.80 0.2 . 1 . . . A 55 LEU CG . 18010 1 559 . 1 1 45 45 LEU CD1 C 13 24.91 0.2 . 1 . . . A 55 LEU CD1 . 18010 1 560 . 1 1 45 45 LEU CD2 C 13 23.15 0.2 . 1 . . . A 55 LEU CD2 . 18010 1 561 . 1 1 45 45 LEU N N 15 121.54 0.2 . 1 . . . A 55 LEU N . 18010 1 562 . 1 1 46 46 SER H H 1 8.04 0.03 . 1 . . . A 56 SER H . 18010 1 563 . 1 1 46 46 SER HA H 1 4.39 0.03 . 1 . . . A 56 SER HA . 18010 1 564 . 1 1 46 46 SER HB2 H 1 3.88 0.03 . 1 . . . A 56 SER HB2 . 18010 1 565 . 1 1 46 46 SER HB3 H 1 3.88 0.03 . 1 . . . A 56 SER HB3 . 18010 1 566 . 1 1 46 46 SER C C 13 174.45 0.2 . 1 . . . A 56 SER C . 18010 1 567 . 1 1 46 46 SER CA C 13 58.62 0.2 . 1 . . . A 56 SER CA . 18010 1 568 . 1 1 46 46 SER CB C 13 63.75 0.2 . 1 . . . A 56 SER CB . 18010 1 569 . 1 1 46 46 SER N N 15 115.10 0.2 . 1 . . . A 56 SER N . 18010 1 570 . 1 1 47 47 GLU H H 1 8.10 0.03 . 1 . . . . 57 GLU H . 18010 1 571 . 1 1 47 47 GLU HA H 1 4.28 0.03 . 1 . . . . 57 GLU HA . 18010 1 572 . 1 1 47 47 GLU HB2 H 1 1.99 0.03 . 1 . . . . 57 GLU HB2 . 18010 1 573 . 1 1 47 47 GLU HB3 H 1 1.99 0.03 . 1 . . . . 57 GLU HB3 . 18010 1 574 . 1 1 47 47 GLU HG2 H 1 2.29 0.03 . 1 . . . . 57 GLU HG2 . 18010 1 575 . 1 1 47 47 GLU HG3 H 1 2.29 0.03 . 1 . . . . 57 GLU HG3 . 18010 1 576 . 1 1 47 47 GLU C C 13 176.23 0.2 . 1 . . . . 57 GLU C . 18010 1 577 . 1 1 47 47 GLU CA C 13 56.56 0.2 . 1 . . . . 57 GLU CA . 18010 1 578 . 1 1 47 47 GLU CB C 13 30.39 0.2 . 1 . . . . 57 GLU CB . 18010 1 579 . 1 1 47 47 GLU CG C 13 35.77 0.2 . 1 . . . . 57 GLU CG . 18010 1 580 . 1 1 47 47 GLU N N 15 122.66 0.2 . 1 . . . . 57 GLU N . 18010 1 581 . 1 1 48 48 LYS H H 1 8.23 0.03 . 1 . . . . 58 LYS H . 18010 1 582 . 1 1 48 48 LYS HA H 1 4.31 0.03 . 1 . . . . 58 LYS HA . 18010 1 583 . 1 1 48 48 LYS HB2 H 1 1.82 0.03 . 1 . . . . 58 LYS HB2 . 18010 1 584 . 1 1 48 48 LYS HB3 H 1 1.82 0.03 . 1 . . . . 58 LYS HB3 . 18010 1 585 . 1 1 48 48 LYS HG2 H 1 1.44 0.03 . 1 . . . . 58 LYS HG2 . 18010 1 586 . 1 1 48 48 LYS HG3 H 1 1.44 0.03 . 1 . . . . 58 LYS HG3 . 18010 1 587 . 1 1 48 48 LYS HD2 H 1 1.68 0.03 . 1 . . . . 58 LYS HD2 . 18010 1 588 . 1 1 48 48 LYS HD3 H 1 1.68 0.03 . 1 . . . . 58 LYS HD3 . 18010 1 589 . 1 1 48 48 LYS HE2 H 1 2.99 0.03 . 1 . . . . 58 LYS HE2 . 18010 1 590 . 1 1 48 48 LYS HE3 H 1 2.99 0.03 . 1 . . . . 58 LYS HE3 . 18010 1 591 . 1 1 48 48 LYS C C 13 176.20 0.2 . 1 . . . . 58 LYS C . 18010 1 592 . 1 1 48 48 LYS CA C 13 56.29 0.2 . 1 . . . . 58 LYS CA . 18010 1 593 . 1 1 48 48 LYS CB C 13 33.07 0.2 . 1 . . . . 58 LYS CB . 18010 1 594 . 1 1 48 48 LYS CG C 13 24.40 0.2 . 1 . . . . 58 LYS CG . 18010 1 595 . 1 1 48 48 LYS CD C 13 28.81 0.2 . 1 . . . . 58 LYS CD . 18010 1 596 . 1 1 48 48 LYS CE C 13 41.90 0.2 . 1 . . . . 58 LYS CE . 18010 1 597 . 1 1 48 48 LYS N N 15 122.74 0.2 . 1 . . . . 58 LYS N . 18010 1 598 . 1 1 49 49 LYS H H 1 8.38 0.03 . 1 . . . . 59 LYS H . 18010 1 599 . 1 1 49 49 LYS HA H 1 4.33 0.03 . 1 . . . . 59 LYS HA . 18010 1 600 . 1 1 49 49 LYS HB2 H 1 1.86 0.03 . 1 . . . . 59 LYS HB2 . 18010 1 601 . 1 1 49 49 LYS HB3 H 1 1.86 0.03 . 1 . . . . 59 LYS HB3 . 18010 1 602 . 1 1 49 49 LYS HG2 H 1 1.46 0.03 . 1 . . . . 59 LYS HG2 . 18010 1 603 . 1 1 49 49 LYS HG3 H 1 1.46 0.03 . 1 . . . . 59 LYS HG3 . 18010 1 604 . 1 1 49 49 LYS HD2 H 1 1.69 0.03 . 1 . . . . 59 LYS HD2 . 18010 1 605 . 1 1 49 49 LYS HD3 H 1 1.69 0.03 . 1 . . . . 59 LYS HD3 . 18010 1 606 . 1 1 49 49 LYS HE2 H 1 3.00 0.03 . 1 . . . . 59 LYS HE2 . 18010 1 607 . 1 1 49 49 LYS HE3 H 1 3.00 0.03 . 1 . . . . 59 LYS HE3 . 18010 1 608 . 1 1 49 49 LYS C C 13 175.65 0.2 . 1 . . . . 59 LYS C . 18010 1 609 . 1 1 49 49 LYS CA C 13 56.27 0.2 . 1 . . . . 59 LYS CA . 18010 1 610 . 1 1 49 49 LYS CB C 13 32.76 0.2 . 1 . . . . 59 LYS CB . 18010 1 611 . 1 1 49 49 LYS CG C 13 24.40 0.2 . 1 . . . . 59 LYS CG . 18010 1 612 . 1 1 49 49 LYS CD C 13 28.75 0.2 . 1 . . . . 59 LYS CD . 18010 1 613 . 1 1 49 49 LYS CE C 13 41.90 0.2 . 1 . . . . 59 LYS CE . 18010 1 614 . 1 1 49 49 LYS N N 15 124.38 0.2 . 1 . . . . 59 LYS N . 18010 1 615 . 1 1 50 50 GLN H H 1 8.02 0.03 . 1 . . . . 60 GLN H . 18010 1 616 . 1 1 50 50 GLN HE21 H 1 7.54 0.03 . 2 . . . . 60 GLN HE21 . 18010 1 617 . 1 1 50 50 GLN HE22 H 1 6.82 0.03 . 2 . . . . 60 GLN HE22 . 18010 1 618 . 1 1 50 50 GLN C C 13 180.39 0.2 . 1 . . . . 60 GLN C . 18010 1 619 . 1 1 50 50 GLN CA C 13 57.19 0.2 . 1 . . . . 60 GLN CA . 18010 1 620 . 1 1 50 50 GLN CB C 13 30.55 0.2 . 1 . . . . 60 GLN CB . 18010 1 621 . 1 1 50 50 GLN N N 15 127.09 0.2 . 1 . . . . 60 GLN N . 18010 1 622 . 1 1 50 50 GLN NE2 N 15 112.53 0.2 . 1 . . . . 60 GLN NE2 . 18010 1 stop_ save_