data_5656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5656 _Entry.Title ; Resonance Assignments for the Z Domain of Staphylococcal Protein A using a 2H, 13C, 15N enriched, selective methyl protonated sample ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-09 _Entry.Accession_date 2003-01-13 _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 Deyou Zheng . . . 5656 2 G.V.T. Swapna . . . 5656 3 Moseley Hunter . N.B. . 5656 4 Gaetano Montelione . T. . 5656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 168 5656 '13C chemical shifts' 235 5656 '15N chemical shifts' 83 5656 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 . . 2009-07-13 2003-01-09 update BMRB 'added time domain data' 5656 1 . . 2005-05-03 2003-01-09 original author 'original release' 5656 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5656 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14718654 _Citation.Full_citation . _Citation.Title ; Validation of helical tilt angles in the solution NMR structure of the Z domain of Staphylococcal protein A by combined analysis of residual dipolar coupling and NOE data. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 549 _Citation.Page_last 554 _Citation.Year 2004 _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 D. Zheng . . . 5656 1 2 J. Aramini . M. . 5656 1 3 G. Montelione . T. . 5656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_staphylococcal_protein_A_Z_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_staphylococcal_protein_A_Z_domain _Assembly.Entry_ID 5656 _Assembly.ID 1 _Assembly.Name 'staphylococcal protein A Z domain' _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 5656 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 'staphylococcal protein A Z domain' 1 $staphylococcal_protein_A_Z_domain . . . native . . . . . 5656 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'staphylococcal protein A Z domain' system 5656 1 'staphylococcal protein A Z domain' abbreviation 5656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_staphylococcal_protein_A_Z_domain _Entity.Sf_category entity _Entity.Sf_framecode staphylococcal_protein_A_Z_domain _Entity.Entry_ID 5656 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'staphylococcal protein A Z domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KAIFVLNAQHDEAVDNKFNK EQQNAFYEILHLPNLNEEQR NAFIQSLKDDPSQSANLLAE AKKLNDAQAPK ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 19043 . Z_domain . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 2 no BMRB 4023 . staphylococcal_protein_A_Z_domain . . . . . 100.00 71 100.00 100.00 1.47e-40 . . . . 5656 1 3 no PDB 1H0T . "An Affibody In Complex With A Target Protein: Structure And Coupled Folding" . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 4 no PDB 1LP1 . "Protein Z In Complex With An In Vitro Selected Affibody" . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 5 no PDB 1Q2N . "Refined Solution Nmr Structure Of The Z Domain Of Staphylococcal Protein A" . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 6 no PDB 2M5A . "Protein A Binding By An Engineered Affibody Molecule" . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 7 no PDB 2SPZ . "Staphylococcal Protein A, Z-Domain, Nmr, 10 Structures" . . . . . 81.69 58 100.00 100.00 4.97e-31 . . . . 5656 1 8 no PDB 4GWP . "Structure Of The Mediator Head Module From S. Cerevisiae" . . . . . 81.69 407 98.28 98.28 1.56e-28 . . . . 5656 1 9 no PDB 4GWQ . "Structure Of The Mediator Head Module From S. Cerevisiae In Complex With The Carboxy-Terminal Domain (Ctd) Of Rna Polymerase Ii" . . . . . 81.69 407 98.28 98.28 1.56e-28 . . . . 5656 1 10 no DBJ BAC76617 . "protein A doublet [Cloning vector pscFvCA-E8VHd]" . . . . . 90.14 68 100.00 100.00 1.72e-35 . . . . 5656 1 11 no DBJ BAC76619 . "protein A doublet [Cloning vector pFCAH9-E8d]" . . . . . 81.69 126 100.00 100.00 3.56e-30 . . . . 5656 1 12 no DBJ BAL27690 . "FLAG-TEV cut site-protein A tag [Cloning vector pCtFLATAki-kanMX6]" . . . . . 90.14 86 100.00 100.00 2.16e-35 . . . . 5656 1 13 no DBJ BAL27694 . "Spac323.08-FLATA [Targeting vector pCtFLATAki-Pspac323.08-SalI-spac323.08(+)-kanMX6T]" . . . . . 90.14 298 100.00 100.00 1.70e-34 . . . . 5656 1 14 no DBJ BAL27697 . "HA-TEV cut site-protein A tag [Schizosaccharomyces pombe expression vector pFOX1-CHATA]" . . . . . 90.14 87 100.00 100.00 2.85e-35 . . . . 5656 1 15 no EMBL CAA49867 . "staphylococcal protein A [synthetic construct]" . . . . . 80.28 88 98.25 98.25 6.37e-30 . . . . 5656 1 16 no EMBL CAA65431 . "protein A [synthetic construct]" . . . . . 81.69 318 100.00 100.00 8.07e-29 . . . . 5656 1 17 no GB AAA72944 . "bifunctional fusion protein, partial [synthetic construct]" . . . . . 80.28 308 98.25 98.25 9.08e-31 . . . . 5656 1 18 no GB AAB00807 . "ZZ:beta-Gal' IgG-binding fusion protein [Cloning vector pKP497]" . . . . . 81.69 215 100.00 100.00 7.78e-30 . . . . 5656 1 19 no GB AAR10383 . "C-terminal TAP tag [synthetic construct]" . . . . . 81.69 194 100.00 100.00 2.01e-30 . . . . 5656 1 20 no GB AAR10384 . "N-terminal TAP tag [synthetic construct]" . . . . . 81.69 199 100.00 100.00 1.75e-30 . . . . 5656 1 21 no GB AAR10385 . "N-terminal TAP tag [synthetic construct]" . . . . . 81.69 200 100.00 100.00 1.27e-30 . . . . 5656 1 22 no REF WP_000298178 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 54.93 254 97.44 97.44 3.45e-15 . . . . 5656 1 23 no REF WP_000298179 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 54.93 254 97.44 97.44 3.52e-15 . . . . 5656 1 24 no REF WP_000316486 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 52.11 264 97.30 97.30 1.39e-13 . . . . 5656 1 25 no REF WP_000363686 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 71.83 290 98.04 98.04 2.05e-24 . . . . 5656 1 26 no REF WP_000496862 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 57.75 240 97.56 97.56 6.28e-17 . . . . 5656 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'staphylococcal protein A Z domain' common 5656 1 'staphylococcal protein A Z domain' abbreviation 5656 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 -13 LYS . 5656 1 2 -12 ALA . 5656 1 3 -11 ILE . 5656 1 4 -10 PHE . 5656 1 5 -9 VAL . 5656 1 6 -8 LEU . 5656 1 7 -7 ASN . 5656 1 8 -6 ALA . 5656 1 9 -5 GLN . 5656 1 10 -4 HIS . 5656 1 11 -3 ASP . 5656 1 12 -2 GLU . 5656 1 13 -1 ALA . 5656 1 14 1 VAL . 5656 1 15 2 ASP . 5656 1 16 3 ASN . 5656 1 17 4 LYS . 5656 1 18 5 PHE . 5656 1 19 6 ASN . 5656 1 20 7 LYS . 5656 1 21 8 GLU . 5656 1 22 9 GLN . 5656 1 23 10 GLN . 5656 1 24 11 ASN . 5656 1 25 12 ALA . 5656 1 26 13 PHE . 5656 1 27 14 TYR . 5656 1 28 15 GLU . 5656 1 29 16 ILE . 5656 1 30 17 LEU . 5656 1 31 18 HIS . 5656 1 32 19 LEU . 5656 1 33 20 PRO . 5656 1 34 21 ASN . 5656 1 35 22 LEU . 5656 1 36 23 ASN . 5656 1 37 24 GLU . 5656 1 38 25 GLU . 5656 1 39 26 GLN . 5656 1 40 27 ARG . 5656 1 41 28 ASN . 5656 1 42 29 ALA . 5656 1 43 30 PHE . 5656 1 44 31 ILE . 5656 1 45 32 GLN . 5656 1 46 33 SER . 5656 1 47 34 LEU . 5656 1 48 35 LYS . 5656 1 49 36 ASP . 5656 1 50 37 ASP . 5656 1 51 38 PRO . 5656 1 52 39 SER . 5656 1 53 40 GLN . 5656 1 54 41 SER . 5656 1 55 42 ALA . 5656 1 56 43 ASN . 5656 1 57 44 LEU . 5656 1 58 45 LEU . 5656 1 59 46 ALA . 5656 1 60 47 GLU . 5656 1 61 48 ALA . 5656 1 62 49 LYS . 5656 1 63 50 LYS . 5656 1 64 51 LEU . 5656 1 65 52 ASN . 5656 1 66 53 ASP . 5656 1 67 54 ALA . 5656 1 68 55 GLN . 5656 1 69 56 ALA . 5656 1 70 57 PRO . 5656 1 71 58 LYS . 5656 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 . LYS 1 1 5656 1 . ALA 2 2 5656 1 . ILE 3 3 5656 1 . PHE 4 4 5656 1 . VAL 5 5 5656 1 . LEU 6 6 5656 1 . ASN 7 7 5656 1 . ALA 8 8 5656 1 . GLN 9 9 5656 1 . HIS 10 10 5656 1 . ASP 11 11 5656 1 . GLU 12 12 5656 1 . ALA 13 13 5656 1 . VAL 14 14 5656 1 . ASP 15 15 5656 1 . ASN 16 16 5656 1 . LYS 17 17 5656 1 . PHE 18 18 5656 1 . ASN 19 19 5656 1 . LYS 20 20 5656 1 . GLU 21 21 5656 1 . GLN 22 22 5656 1 . GLN 23 23 5656 1 . ASN 24 24 5656 1 . ALA 25 25 5656 1 . PHE 26 26 5656 1 . TYR 27 27 5656 1 . GLU 28 28 5656 1 . ILE 29 29 5656 1 . LEU 30 30 5656 1 . HIS 31 31 5656 1 . LEU 32 32 5656 1 . PRO 33 33 5656 1 . ASN 34 34 5656 1 . LEU 35 35 5656 1 . ASN 36 36 5656 1 . GLU 37 37 5656 1 . GLU 38 38 5656 1 . GLN 39 39 5656 1 . ARG 40 40 5656 1 . ASN 41 41 5656 1 . ALA 42 42 5656 1 . PHE 43 43 5656 1 . ILE 44 44 5656 1 . GLN 45 45 5656 1 . SER 46 46 5656 1 . LEU 47 47 5656 1 . LYS 48 48 5656 1 . ASP 49 49 5656 1 . ASP 50 50 5656 1 . PRO 51 51 5656 1 . SER 52 52 5656 1 . GLN 53 53 5656 1 . SER 54 54 5656 1 . ALA 55 55 5656 1 . ASN 56 56 5656 1 . LEU 57 57 5656 1 . LEU 58 58 5656 1 . ALA 59 59 5656 1 . GLU 60 60 5656 1 . ALA 61 61 5656 1 . LYS 62 62 5656 1 . LYS 63 63 5656 1 . LEU 64 64 5656 1 . ASN 65 65 5656 1 . ASP 66 66 5656 1 . ALA 67 67 5656 1 . GLN 68 68 5656 1 . ALA 69 69 5656 1 . PRO 70 70 5656 1 . LYS 71 71 5656 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 5656 _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 $staphylococcal_protein_A_Z_domain . 1280 . . 'Staphylococcus aureus' 'S. aureus' . . Eubacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 5656 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 5656 _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 $staphylococcal_protein_A_Z_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 5656 _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 'staphylococcal protein A Z domain' '[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated' . . 1 $staphylococcal_protein_A_Z_domain . . 1.1 . . mM . . . . 5656 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 5656 _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 6.5 . pH 5656 1 temperature 303 . K 5656 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 5656 _Software.ID 1 _Software.Name AutoAssign _Software.Version 1.9 _Software.Details ; 1. Moseley, H.N., Monleon, D., and Montelione, G.T. (2001) Methods Enzymol. 339: 91-108. 2. Zimmerman, D.E., Kulikowski, C.A., Huang, Y., Feng, W., Tashiro, M., Shimotakahara, S., Chien, C., Powers, R., and Montelione, G.T. (1997). J. Mol. Biol. 269: 592-610. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated backbone assignments' 5656 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 5656 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5656 _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 NMR_spectrometer_one Varian INOVA . 600 . . . 5656 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 5656 _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 '1H-15N HSQC' yes 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 2 '1H-13C HSQC' yes 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 3 HNCO yes 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 4 HN(CA)CO yes 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 5 HNCACB yes 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 6 HN(CO)CACB yes 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 7 H(CCCO)NH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 8 (H)CC(CO)NH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5656 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.069_ZDOMAIN_pfghetzych2_NH_se2.fid/' . . . . . . . 5656 1 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.069_ZDOMAIN_pfghetzych2_NH_se2.fid/' . . . . . . . 5656 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.069_ZDOMAIN_pfghetzych2_NH_se2.fid/' . . . . . . . 5656 1 N15-hsqc.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.070_ZDOMAIN_pfghetzych3_CH_se1.fid/' . . . . . . . 5656 2 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.070_ZDOMAIN_pfghetzych3_CH_se1.fid/' . . . . . . . 5656 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.070_ZDOMAIN_pfghetzych3_CH_se1.fid/' . . . . . . . 5656 2 13chsqc.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.062_ZDOMAIN_pfg_hnco_se3.fid/' . . . . . . . 5656 3 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.062_ZDOMAIN_pfg_hnco_se3.fid/' . . . . . . . 5656 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.062_ZDOMAIN_pfg_hnco_se3.fid/' . . . . . . . 5656 3 hnco.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.041_ZDOMAIN_ghn_ca_co.fid/' . . . . . . . 5656 4 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.041_ZDOMAIN_ghn_ca_co.fid/' . . . . . . . 5656 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.041_ZDOMAIN_ghn_ca_co.fid/' . . . . . . . 5656 4 hncaco.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.042_ZDOMAIN_ghn_cacb.fid/' . . . . . . . 5656 5 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.042_ZDOMAIN_ghn_cacb.fid/' . . . . . . . 5656 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.042_ZDOMAIN_ghn_cacb.fid/' . . . . . . . 5656 5 hncacb.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5656 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.043_ZDOMAIN_ghn_co_cacb.fid/' . . . . . . . 5656 6 fid.gz 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.043_ZDOMAIN_ghn_co_cacb.fid/' . . . . . . . 5656 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/timedomain_data/DZ.I.043_ZDOMAIN_ghn_co_cacb.fid/' . . . . . . . 5656 6 hncocacb.list 'peak list' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5656/analysis/' . . . . . . . 5656 6 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 5656 _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 0.00 . . 1.0 . . . . . . . . . 5656 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.25144953 . . . . . . . . . 5656 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5656 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 5656 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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_one . 5656 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 LYS C C 13 175.7 . . 1 . . . . . . . . 5656 1 2 . 1 1 1 1 LYS CA C 13 56.08 . . 1 . . . . . . . . 5656 1 3 . 1 1 1 1 LYS CB C 13 32.40 . . 1 . . . . . . . . 5656 1 4 . 1 1 2 2 ALA H H 1 8.41 . . 1 . . . . . . . . 5656 1 5 . 1 1 2 2 ALA C C 13 177.3 . . 1 . . . . . . . . 5656 1 6 . 1 1 2 2 ALA CA C 13 52.02 . . 1 . . . . . . . . 5656 1 7 . 1 1 2 2 ALA CB C 13 18.66 . . 1 . . . . . . . . 5656 1 8 . 1 1 2 2 ALA N N 15 126.4 . . 1 . . . . . . . . 5656 1 9 . 1 1 3 3 ILE H H 1 8.05 . . 1 . . . . . . . . 5656 1 10 . 1 1 3 3 ILE C C 13 175.8 . . 1 . . . . . . . . 5656 1 11 . 1 1 3 3 ILE CA C 13 60.66 . . 1 . . . . . . . . 5656 1 12 . 1 1 3 3 ILE CB C 13 38.18 . . 1 . . . . . . . . 5656 1 13 . 1 1 3 3 ILE CD1 C 13 12.63 . . 1 . . . . . . . . 5656 1 14 . 1 1 3 3 ILE HD11 H 1 0.77 . . 1 . . . . . . . . 5656 1 15 . 1 1 3 3 ILE HD12 H 1 0.77 . . 1 . . . . . . . . 5656 1 16 . 1 1 3 3 ILE HD13 H 1 0.77 . . 1 . . . . . . . . 5656 1 17 . 1 1 3 3 ILE N N 15 120.0 . . 1 . . . . . . . . 5656 1 18 . 1 1 4 4 PHE H H 1 8.25 . . 1 . . . . . . . . 5656 1 19 . 1 1 4 4 PHE C C 13 175.1 . . 1 . . . . . . . . 5656 1 20 . 1 1 4 4 PHE CA C 13 57.16 . . 1 . . . . . . . . 5656 1 21 . 1 1 4 4 PHE CB C 13 39.24 . . 1 . . . . . . . . 5656 1 22 . 1 1 4 4 PHE N N 15 124.2 . . 1 . . . . . . . . 5656 1 23 . 1 1 5 5 VAL H H 1 8.01 . . 1 . . . . . . . . 5656 1 24 . 1 1 5 5 VAL C C 13 175.4 . . 1 . . . . . . . . 5656 1 25 . 1 1 5 5 VAL CA C 13 61.66 . . 1 . . . . . . . . 5656 1 26 . 1 1 5 5 VAL CB C 13 32.76 . . 1 . . . . . . . . 5656 1 27 . 1 1 5 5 VAL CG1 C 13 20.51 . . 2 . . . . . . . . 5656 1 28 . 1 1 5 5 VAL CG2 C 13 20.89 . . 2 . . . . . . . . 5656 1 29 . 1 1 5 5 VAL HG11 H 1 0.83 . . 2 . . . . . . . . 5656 1 30 . 1 1 5 5 VAL HG12 H 1 0.83 . . 2 . . . . . . . . 5656 1 31 . 1 1 5 5 VAL HG13 H 1 0.83 . . 2 . . . . . . . . 5656 1 32 . 1 1 5 5 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 5656 1 33 . 1 1 5 5 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 5656 1 34 . 1 1 5 5 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 5656 1 35 . 1 1 5 5 VAL N N 15 123.2 . . 1 . . . . . . . . 5656 1 36 . 1 1 6 6 LEU H H 1 8.25 . . 1 . . . . . . . . 5656 1 37 . 1 1 6 6 LEU C C 13 177.0 . . 1 . . . . . . . . 5656 1 38 . 1 1 6 6 LEU CA C 13 55.17 . . 1 . . . . . . . . 5656 1 39 . 1 1 6 6 LEU CB C 13 41.50 . . 1 . . . . . . . . 5656 1 40 . 1 1 6 6 LEU CD1 C 13 23.78 . . 2 . . . . . . . . 5656 1 41 . 1 1 6 6 LEU CD2 C 13 25.09 . . 2 . . . . . . . . 5656 1 42 . 1 1 6 6 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 5656 1 43 . 1 1 6 6 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 5656 1 44 . 1 1 6 6 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 5656 1 45 . 1 1 6 6 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 5656 1 46 . 1 1 6 6 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 5656 1 47 . 1 1 6 6 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 5656 1 48 . 1 1 6 6 LEU N N 15 126.0 . . 1 . . . . . . . . 5656 1 49 . 1 1 7 7 ASN H H 1 8.43 . . 1 . . . . . . . . 5656 1 50 . 1 1 7 7 ASN C C 13 174.8 . . 1 . . . . . . . . 5656 1 51 . 1 1 7 7 ASN CA C 13 53.03 . . 1 . . . . . . . . 5656 1 52 . 1 1 7 7 ASN CB C 13 38.31 . . 1 . . . . . . . . 5656 1 53 . 1 1 7 7 ASN HD21 H 1 6.90 . . 2 . . . . . . . . 5656 1 54 . 1 1 7 7 ASN HD22 H 1 7.60 . . 2 . . . . . . . . 5656 1 55 . 1 1 7 7 ASN ND2 N 15 112.89 . . 1 . . . . . . . . 5656 1 56 . 1 1 7 7 ASN N N 15 119.5 . . 1 . . . . . . . . 5656 1 57 . 1 1 8 8 ALA H H 1 8.22 . . 1 . . . . . . . . 5656 1 58 . 1 1 8 8 ALA C C 13 177.6 . . 1 . . . . . . . . 5656 1 59 . 1 1 8 8 ALA CA C 13 52.39 . . 1 . . . . . . . . 5656 1 60 . 1 1 8 8 ALA CB C 13 18.56 . . 1 . . . . . . . . 5656 1 61 . 1 1 8 8 ALA N N 15 124.0 . . 1 . . . . . . . . 5656 1 62 . 1 1 9 9 GLN H H 1 8.29 . . 1 . . . . . . . . 5656 1 63 . 1 1 9 9 GLN C C 13 175.9 . . 1 . . . . . . . . 5656 1 64 . 1 1 9 9 GLN CA C 13 55.69 . . 1 . . . . . . . . 5656 1 65 . 1 1 9 9 GLN CB C 13 28.69 . . 1 . . . . . . . . 5656 1 66 . 1 1 9 9 GLN HE21 H 1 7.56 . . 2 . . . . . . . . 5656 1 67 . 1 1 9 9 GLN HE22 H 1 6.86 . . 2 . . . . . . . . 5656 1 68 . 1 1 9 9 GLN NE2 N 15 112.8 . . 1 . . . . . . . . 5656 1 69 . 1 1 9 9 GLN N N 15 118.7 . . 1 . . . . . . . . 5656 1 70 . 1 1 10 10 HIS H H 1 8.23 . . 1 . . . . . . . . 5656 1 71 . 1 1 10 10 HIS C C 13 174.1 . . 1 . . . . . . . . 5656 1 72 . 1 1 10 10 HIS CA C 13 55.29 . . 1 . . . . . . . . 5656 1 73 . 1 1 10 10 HIS CB C 13 29.03 . . 1 . . . . . . . . 5656 1 74 . 1 1 10 10 HIS N N 15 119.6 . . 1 . . . . . . . . 5656 1 75 . 1 1 11 11 ASP H H 1 8.39 . . 1 . . . . . . . . 5656 1 76 . 1 1 11 11 ASP C C 13 176.2 . . 1 . . . . . . . . 5656 1 77 . 1 1 11 11 ASP CA C 13 54.01 . . 1 . . . . . . . . 5656 1 78 . 1 1 11 11 ASP CB C 13 40.96 . . 1 . . . . . . . . 5656 1 79 . 1 1 11 11 ASP N N 15 122.0 . . 1 . . . . . . . . 5656 1 80 . 1 1 12 12 GLU H H 1 8.54 . . 1 . . . . . . . . 5656 1 81 . 1 1 12 12 GLU C C 13 176.5 . . 1 . . . . . . . . 5656 1 82 . 1 1 12 12 GLU CA C 13 56.83 . . 1 . . . . . . . . 5656 1 83 . 1 1 12 12 GLU CB C 13 29.42 . . 1 . . . . . . . . 5656 1 84 . 1 1 12 12 GLU N N 15 122.1 . . 1 . . . . . . . . 5656 1 85 . 1 1 13 13 ALA H H 1 8.28 . . 1 . . . . . . . . 5656 1 86 . 1 1 13 13 ALA C C 13 178.2 . . 1 . . . . . . . . 5656 1 87 . 1 1 13 13 ALA CA C 13 52.60 . . 1 . . . . . . . . 5656 1 88 . 1 1 13 13 ALA CB C 13 18.32 . . 1 . . . . . . . . 5656 1 89 . 1 1 13 13 ALA N N 15 123.8 . . 1 . . . . . . . . 5656 1 90 . 1 1 14 14 VAL H H 1 7.85 . . 1 . . . . . . . . 5656 1 91 . 1 1 14 14 VAL C C 13 176.1 . . 1 . . . . . . . . 5656 1 92 . 1 1 14 14 VAL CA C 13 62.40 . . 1 . . . . . . . . 5656 1 93 . 1 1 14 14 VAL CB C 13 32.17 . . 1 . . . . . . . . 5656 1 94 . 1 1 14 14 VAL CG1 C 13 20.51 . . 2 . . . . . . . . 5656 1 95 . 1 1 14 14 VAL CG2 C 13 20.68 . . 2 . . . . . . . . 5656 1 96 . 1 1 14 14 VAL HG11 H 1 0.70 . . 2 . . . . . . . . 5656 1 97 . 1 1 14 14 VAL HG12 H 1 0.70 . . 2 . . . . . . . . 5656 1 98 . 1 1 14 14 VAL HG13 H 1 0.70 . . 2 . . . . . . . . 5656 1 99 . 1 1 14 14 VAL HG21 H 1 0.73 . . 2 . . . . . . . . 5656 1 100 . 1 1 14 14 VAL HG22 H 1 0.73 . . 2 . . . . . . . . 5656 1 101 . 1 1 14 14 VAL HG23 H 1 0.73 . . 2 . . . . . . . . 5656 1 102 . 1 1 14 14 VAL N N 15 118.2 . . 1 . . . . . . . . 5656 1 103 . 1 1 15 15 ASP H H 1 8.00 . . 1 . . . . . . . . 5656 1 104 . 1 1 15 15 ASP C C 13 176.5 . . 1 . . . . . . . . 5656 1 105 . 1 1 15 15 ASP CA C 13 54.40 . . 1 . . . . . . . . 5656 1 106 . 1 1 15 15 ASP CB C 13 40.60 . . 1 . . . . . . . . 5656 1 107 . 1 1 15 15 ASP N N 15 122.0 . . 1 . . . . . . . . 5656 1 108 . 1 1 16 16 ASN H H 1 8.13 . . 1 . . . . . . . . 5656 1 109 . 1 1 16 16 ASN C C 13 175.4 . . 1 . . . . . . . . 5656 1 110 . 1 1 16 16 ASN CA C 13 53.82 . . 1 . . . . . . . . 5656 1 111 . 1 1 16 16 ASN CB C 13 38.31 . . 1 . . . . . . . . 5656 1 112 . 1 1 16 16 ASN HD21 H 1 7.50 . . 2 . . . . . . . . 5656 1 113 . 1 1 16 16 ASN HD22 H 1 6.82 . . 2 . . . . . . . . 5656 1 114 . 1 1 16 16 ASN ND2 N 15 112.69 . . 1 . . . . . . . . 5656 1 115 . 1 1 16 16 ASN N N 15 118.9 . . 1 . . . . . . . . 5656 1 116 . 1 1 17 17 LYS H H 1 8.21 . . 1 . . . . . . . . 5656 1 117 . 1 1 17 17 LYS C C 13 176.8 . . 1 . . . . . . . . 5656 1 118 . 1 1 17 17 LYS CA C 13 56.58 . . 1 . . . . . . . . 5656 1 119 . 1 1 17 17 LYS CB C 13 31.40 . . 1 . . . . . . . . 5656 1 120 . 1 1 17 17 LYS N N 15 119.4 . . 1 . . . . . . . . 5656 1 121 . 1 1 18 18 PHE H H 1 7.87 . . 1 . . . . . . . . 5656 1 122 . 1 1 18 18 PHE C C 13 177.0 . . 1 . . . . . . . . 5656 1 123 . 1 1 18 18 PHE CA C 13 55.06 . . 1 . . . . . . . . 5656 1 124 . 1 1 18 18 PHE CB C 13 39.12 . . 1 . . . . . . . . 5656 1 125 . 1 1 18 18 PHE N N 15 118.8 . . 1 . . . . . . . . 5656 1 126 . 1 1 19 19 ASN H H 1 8.43 . . 1 . . . . . . . . 5656 1 127 . 1 1 19 19 ASN C C 13 175.8 . . 1 . . . . . . . . 5656 1 128 . 1 1 19 19 ASN CA C 13 51.79 . . 1 . . . . . . . . 5656 1 129 . 1 1 19 19 ASN CB C 13 37.64 . . 1 . . . . . . . . 5656 1 130 . 1 1 19 19 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 5656 1 131 . 1 1 19 19 ASN HD22 H 1 6.91 . . 2 . . . . . . . . 5656 1 132 . 1 1 19 19 ASN ND2 N 15 110.38 . . 1 . . . . . . . . 5656 1 133 . 1 1 19 19 ASN N N 15 120.4 . . 1 . . . . . . . . 5656 1 134 . 1 1 20 20 LYS H H 1 8.33 . . 1 . . . . . . . . 5656 1 135 . 1 1 20 20 LYS C C 13 178.6 . . 1 . . . . . . . . 5656 1 136 . 1 1 20 20 LYS CA C 13 59.67 . . 1 . . . . . . . . 5656 1 137 . 1 1 20 20 LYS CB C 13 31.30 . . 1 . . . . . . . . 5656 1 138 . 1 1 20 20 LYS N N 15 118.5 . . 1 . . . . . . . . 5656 1 139 . 1 1 21 21 GLU H H 1 8.22 . . 1 . . . . . . . . 5656 1 140 . 1 1 21 21 GLU C C 13 180.2 . . 1 . . . . . . . . 5656 1 141 . 1 1 21 21 GLU CA C 13 59.47 . . 1 . . . . . . . . 5656 1 142 . 1 1 21 21 GLU CB C 13 28.36 . . 1 . . . . . . . . 5656 1 143 . 1 1 21 21 GLU N N 15 119.5 . . 1 . . . . . . . . 5656 1 144 . 1 1 22 22 GLN H H 1 8.52 . . 1 . . . . . . . . 5656 1 145 . 1 1 22 22 GLN C C 13 177.8 . . 1 . . . . . . . . 5656 1 146 . 1 1 22 22 GLN CA C 13 58.44 . . 1 . . . . . . . . 5656 1 147 . 1 1 22 22 GLN CB C 13 26.35 . . 1 . . . . . . . . 5656 1 148 . 1 1 22 22 GLN HE21 H 1 6.96 . . 2 . . . . . . . . 5656 1 149 . 1 1 22 22 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 5656 1 150 . 1 1 22 22 GLN NE2 N 15 111.06 . . 1 . . . . . . . . 5656 1 151 . 1 1 22 22 GLN N N 15 121.4 . . 1 . . . . . . . . 5656 1 152 . 1 1 23 23 GLN H H 1 8.75 . . 1 . . . . . . . . 5656 1 153 . 1 1 23 23 GLN C C 13 178.4 . . 1 . . . . . . . . 5656 1 154 . 1 1 23 23 GLN CA C 13 58.66 . . 1 . . . . . . . . 5656 1 155 . 1 1 23 23 GLN CB C 13 27.86 . . 1 . . . . . . . . 5656 1 156 . 1 1 23 23 GLN HE21 H 1 6.88 . . 2 . . . . . . . . 5656 1 157 . 1 1 23 23 GLN HE22 H 1 7.24 . . 2 . . . . . . . . 5656 1 158 . 1 1 23 23 GLN NE2 N 15 111.88 . . 1 . . . . . . . . 5656 1 159 . 1 1 23 23 GLN N N 15 118.8 . . 1 . . . . . . . . 5656 1 160 . 1 1 24 24 ASN H H 1 8.29 . . 1 . . . . . . . . 5656 1 161 . 1 1 24 24 ASN C C 13 177.5 . . 1 . . . . . . . . 5656 1 162 . 1 1 24 24 ASN CA C 13 55.99 . . 1 . . . . . . . . 5656 1 163 . 1 1 24 24 ASN CB C 13 37.76 . . 1 . . . . . . . . 5656 1 164 . 1 1 24 24 ASN HD21 H 1 7.74 . . 2 . . . . . . . . 5656 1 165 . 1 1 24 24 ASN HD22 H 1 7.07 . . 2 . . . . . . . . 5656 1 166 . 1 1 24 24 ASN ND2 N 15 112.69 . . 1 . . . . . . . . 5656 1 167 . 1 1 24 24 ASN N N 15 117.4 . . 1 . . . . . . . . 5656 1 168 . 1 1 25 25 ALA H H 1 7.88 . . 1 . . . . . . . . 5656 1 169 . 1 1 25 25 ALA C C 13 178.2 . . 1 . . . . . . . . 5656 1 170 . 1 1 25 25 ALA CA C 13 55.20 . . 1 . . . . . . . . 5656 1 171 . 1 1 25 25 ALA CB C 13 17.50 . . 1 . . . . . . . . 5656 1 172 . 1 1 25 25 ALA N N 15 122.1 . . 1 . . . . . . . . 5656 1 173 . 1 1 26 26 PHE H H 1 8.13 . . 1 . . . . . . . . 5656 1 174 . 1 1 26 26 PHE C C 13 176.2 . . 1 . . . . . . . . 5656 1 175 . 1 1 26 26 PHE CA C 13 60.82 . . 1 . . . . . . . . 5656 1 176 . 1 1 26 26 PHE CB C 13 38.31 . . 1 . . . . . . . . 5656 1 177 . 1 1 26 26 PHE N N 15 117.8 . . 1 . . . . . . . . 5656 1 178 . 1 1 27 27 TYR H H 1 8.15 . . 1 . . . . . . . . 5656 1 179 . 1 1 27 27 TYR C C 13 178.9 . . 1 . . . . . . . . 5656 1 180 . 1 1 27 27 TYR CA C 13 61.88 . . 1 . . . . . . . . 5656 1 181 . 1 1 27 27 TYR CB C 13 37.64 . . 1 . . . . . . . . 5656 1 182 . 1 1 27 27 TYR N N 15 116.6 . . 1 . . . . . . . . 5656 1 183 . 1 1 28 28 GLU H H 1 8.54 . . 1 . . . . . . . . 5656 1 184 . 1 1 28 28 GLU C C 13 180.6 . . 1 . . . . . . . . 5656 1 185 . 1 1 28 28 GLU CA C 13 60.08 . . 1 . . . . . . . . 5656 1 186 . 1 1 28 28 GLU CB C 13 29.35 . . 1 . . . . . . . . 5656 1 187 . 1 1 28 28 GLU N N 15 119.0 . . 1 . . . . . . . . 5656 1 188 . 1 1 29 29 ILE H H 1 8.41 . . 1 . . . . . . . . 5656 1 189 . 1 1 29 29 ILE C C 13 178.1 . . 1 . . . . . . . . 5656 1 190 . 1 1 29 29 ILE CA C 13 65.36 . . 1 . . . . . . . . 5656 1 191 . 1 1 29 29 ILE CB C 13 36.74 . . 1 . . . . . . . . 5656 1 192 . 1 1 29 29 ILE CD1 C 13 12.38 . . 1 . . . . . . . . 5656 1 193 . 1 1 29 29 ILE HD11 H 1 0.47 . . 1 . . . . . . . . 5656 1 194 . 1 1 29 29 ILE HD12 H 1 0.47 . . 1 . . . . . . . . 5656 1 195 . 1 1 29 29 ILE HD13 H 1 0.47 . . 1 . . . . . . . . 5656 1 196 . 1 1 29 29 ILE N N 15 119.5 . . 1 . . . . . . . . 5656 1 197 . 1 1 30 30 LEU H H 1 7.88 . . 1 . . . . . . . . 5656 1 198 . 1 1 30 30 LEU C C 13 177.1 . . 1 . . . . . . . . 5656 1 199 . 1 1 30 30 LEU CA C 13 56.94 . . 1 . . . . . . . . 5656 1 200 . 1 1 30 30 LEU CB C 13 41.09 . . 1 . . . . . . . . 5656 1 201 . 1 1 30 30 LEU CD1 C 13 23.52 . . 2 . . . . . . . . 5656 1 202 . 1 1 30 30 LEU CD2 C 13 24.57 . . 2 . . . . . . . . 5656 1 203 . 1 1 30 30 LEU HD11 H 1 0.60 . . 2 . . . . . . . . 5656 1 204 . 1 1 30 30 LEU HD12 H 1 0.60 . . 2 . . . . . . . . 5656 1 205 . 1 1 30 30 LEU HD13 H 1 0.60 . . 2 . . . . . . . . 5656 1 206 . 1 1 30 30 LEU HD21 H 1 0.50 . . 2 . . . . . . . . 5656 1 207 . 1 1 30 30 LEU HD22 H 1 0.50 . . 2 . . . . . . . . 5656 1 208 . 1 1 30 30 LEU HD23 H 1 0.50 . . 2 . . . . . . . . 5656 1 209 . 1 1 30 30 LEU N N 15 117.4 . . 1 . . . . . . . . 5656 1 210 . 1 1 31 31 HIS H H 1 7.19 . . 1 . . . . . . . . 5656 1 211 . 1 1 31 31 HIS C C 13 174.7 . . 1 . . . . . . . . 5656 1 212 . 1 1 31 31 HIS CA C 13 55.39 . . 1 . . . . . . . . 5656 1 213 . 1 1 31 31 HIS CB C 13 28.89 . . 1 . . . . . . . . 5656 1 214 . 1 1 31 31 HIS N N 15 111.4 . . 1 . . . . . . . . 5656 1 215 . 1 1 32 32 LEU H H 1 7.19 . . 1 . . . . . . . . 5656 1 216 . 1 1 32 32 LEU C C 13 177.7 . . 1 . . . . . . . . 5656 1 217 . 1 1 32 32 LEU CA C 13 53.26 . . 1 . . . . . . . . 5656 1 218 . 1 1 32 32 LEU CB C 13 39.61 . . 1 . . . . . . . . 5656 1 219 . 1 1 32 32 LEU CD1 C 13 23.15 . . 2 . . . . . . . . 5656 1 220 . 1 1 32 32 LEU CD2 C 13 27.07 . . 2 . . . . . . . . 5656 1 221 . 1 1 32 32 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 5656 1 222 . 1 1 32 32 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 5656 1 223 . 1 1 32 32 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 5656 1 224 . 1 1 32 32 LEU HD21 H 1 0.63 . . 2 . . . . . . . . 5656 1 225 . 1 1 32 32 LEU HD22 H 1 0.63 . . 2 . . . . . . . . 5656 1 226 . 1 1 32 32 LEU HD23 H 1 0.63 . . 2 . . . . . . . . 5656 1 227 . 1 1 32 32 LEU N N 15 124.2 . . 1 . . . . . . . . 5656 1 228 . 1 1 33 33 PRO C C 13 178.2 . . 1 . . . . . . . . 5656 1 229 . 1 1 33 33 PRO CA C 13 64.74 . . 1 . . . . . . . . 5656 1 230 . 1 1 33 33 PRO CB C 13 31.84 . . 1 . . . . . . . . 5656 1 231 . 1 1 34 34 ASN H H 1 8.89 . . 1 . . . . . . . . 5656 1 232 . 1 1 34 34 ASN C C 13 176.4 . . 1 . . . . . . . . 5656 1 233 . 1 1 34 34 ASN CA C 13 52.46 . . 1 . . . . . . . . 5656 1 234 . 1 1 34 34 ASN CB C 13 38.22 . . 1 . . . . . . . . 5656 1 235 . 1 1 34 34 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 5656 1 236 . 1 1 34 34 ASN HD22 H 1 7.44 . . 2 . . . . . . . . 5656 1 237 . 1 1 34 34 ASN ND2 N 15 114.88 . . 1 . . . . . . . . 5656 1 238 . 1 1 34 34 ASN N N 15 113.6 . . 1 . . . . . . . . 5656 1 239 . 1 1 35 35 LEU H H 1 6.48 . . 1 . . . . . . . . 5656 1 240 . 1 1 35 35 LEU C C 13 176.6 . . 1 . . . . . . . . 5656 1 241 . 1 1 35 35 LEU CA C 13 54.09 . . 1 . . . . . . . . 5656 1 242 . 1 1 35 35 LEU CB C 13 42.22 . . 1 . . . . . . . . 5656 1 243 . 1 1 35 35 LEU CD1 C 13 22.15 . . 2 . . . . . . . . 5656 1 244 . 1 1 35 35 LEU CD2 C 13 26.42 . . 2 . . . . . . . . 5656 1 245 . 1 1 35 35 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 5656 1 246 . 1 1 35 35 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 5656 1 247 . 1 1 35 35 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 5656 1 248 . 1 1 35 35 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 5656 1 249 . 1 1 35 35 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 5656 1 250 . 1 1 35 35 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 5656 1 251 . 1 1 35 35 LEU N N 15 117.2 . . 1 . . . . . . . . 5656 1 252 . 1 1 36 36 ASN H H 1 8.54 . . 1 . . . . . . . . 5656 1 253 . 1 1 36 36 ASN C C 13 175.8 . . 1 . . . . . . . . 5656 1 254 . 1 1 36 36 ASN CA C 13 51.15 . . 1 . . . . . . . . 5656 1 255 . 1 1 36 36 ASN CB C 13 38.28 . . 1 . . . . . . . . 5656 1 256 . 1 1 36 36 ASN HD21 H 1 7.05 . . 2 . . . . . . . . 5656 1 257 . 1 1 36 36 ASN HD22 H 1 7.51 . . 2 . . . . . . . . 5656 1 258 . 1 1 36 36 ASN ND2 N 15 112.18 . . 1 . . . . . . . . 5656 1 259 . 1 1 36 36 ASN N N 15 119.0 . . 1 . . . . . . . . 5656 1 260 . 1 1 37 37 GLU H H 1 8.61 . . 1 . . . . . . . . 5656 1 261 . 1 1 37 37 GLU C C 13 178.3 . . 1 . . . . . . . . 5656 1 262 . 1 1 37 37 GLU CA C 13 59.41 . . 1 . . . . . . . . 5656 1 263 . 1 1 37 37 GLU CB C 13 28.77 . . 1 . . . . . . . . 5656 1 264 . 1 1 37 37 GLU N N 15 118.0 . . 1 . . . . . . . . 5656 1 265 . 1 1 38 38 GLU H H 1 8.23 . . 1 . . . . . . . . 5656 1 266 . 1 1 38 38 GLU C C 13 178.3 . . 1 . . . . . . . . 5656 1 267 . 1 1 38 38 GLU CA C 13 59.47 . . 1 . . . . . . . . 5656 1 268 . 1 1 38 38 GLU CB C 13 28.36 . . 1 . . . . . . . . 5656 1 269 . 1 1 38 38 GLU N N 15 119.6 . . 1 . . . . . . . . 5656 1 270 . 1 1 39 39 GLN H H 1 8.50 . . 1 . . . . . . . . 5656 1 271 . 1 1 39 39 GLN C C 13 178.6 . . 1 . . . . . . . . 5656 1 272 . 1 1 39 39 GLN CA C 13 57.69 . . 1 . . . . . . . . 5656 1 273 . 1 1 39 39 GLN CB C 13 28.37 . . 1 . . . . . . . . 5656 1 274 . 1 1 39 39 GLN HE21 H 1 7.67 . . 2 . . . . . . . . 5656 1 275 . 1 1 39 39 GLN HE22 H 1 8.25 . . 2 . . . . . . . . 5656 1 276 . 1 1 39 39 GLN NE2 N 15 113.01 . . 1 . . . . . . . . 5656 1 277 . 1 1 39 39 GLN N N 15 119.6 . . 1 . . . . . . . . 5656 1 278 . 1 1 40 40 ARG H H 1 8.54 . . 1 . . . . . . . . 5656 1 279 . 1 1 40 40 ARG C C 13 177.9 . . 1 . . . . . . . . 5656 1 280 . 1 1 40 40 ARG CA C 13 60.11 . . 1 . . . . . . . . 5656 1 281 . 1 1 40 40 ARG CB C 13 29.35 . . 1 . . . . . . . . 5656 1 282 . 1 1 40 40 ARG N N 15 118.7 . . 1 . . . . . . . . 5656 1 283 . 1 1 41 41 ASN H H 1 8.45 . . 1 . . . . . . . . 5656 1 284 . 1 1 41 41 ASN C C 13 177.9 . . 1 . . . . . . . . 5656 1 285 . 1 1 41 41 ASN CA C 13 55.72 . . 1 . . . . . . . . 5656 1 286 . 1 1 41 41 ASN CB C 13 37.55 . . 1 . . . . . . . . 5656 1 287 . 1 1 41 41 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 5656 1 288 . 1 1 41 41 ASN HD22 H 1 7.01 . . 2 . . . . . . . . 5656 1 289 . 1 1 41 41 ASN ND2 N 15 112.46 . . 1 . . . . . . . . 5656 1 290 . 1 1 41 41 ASN N N 15 114.8 . . 1 . . . . . . . . 5656 1 291 . 1 1 42 42 ALA H H 1 7.84 . . 1 . . . . . . . . 5656 1 292 . 1 1 42 42 ALA C C 13 181.0 . . 1 . . . . . . . . 5656 1 293 . 1 1 42 42 ALA CA C 13 54.89 . . 1 . . . . . . . . 5656 1 294 . 1 1 42 42 ALA CB C 13 17.19 . . 1 . . . . . . . . 5656 1 295 . 1 1 42 42 ALA N N 15 123.0 . . 1 . . . . . . . . 5656 1 296 . 1 1 43 43 PHE H H 1 7.95 . . 1 . . . . . . . . 5656 1 297 . 1 1 43 43 PHE C C 13 178.2 . . 1 . . . . . . . . 5656 1 298 . 1 1 43 43 PHE CA C 13 62.07 . . 1 . . . . . . . . 5656 1 299 . 1 1 43 43 PHE CB C 13 39.11 . . 1 . . . . . . . . 5656 1 300 . 1 1 43 43 PHE N N 15 116.8 . . 1 . . . . . . . . 5656 1 301 . 1 1 44 44 ILE H H 1 8.24 . . 1 . . . . . . . . 5656 1 302 . 1 1 44 44 ILE C C 13 177.8 . . 1 . . . . . . . . 5656 1 303 . 1 1 44 44 ILE CA C 13 63.73 . . 1 . . . . . . . . 5656 1 304 . 1 1 44 44 ILE CB C 13 35.83 . . 1 . . . . . . . . 5656 1 305 . 1 1 44 44 ILE CD1 C 13 11.60 . . 1 . . . . . . . . 5656 1 306 . 1 1 44 44 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 5656 1 307 . 1 1 44 44 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 5656 1 308 . 1 1 44 44 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 5656 1 309 . 1 1 44 44 ILE N N 15 118.1 . . 1 . . . . . . . . 5656 1 310 . 1 1 45 45 GLN H H 1 8.40 . . 1 . . . . . . . . 5656 1 311 . 1 1 45 45 GLN C C 13 178.4 . . 1 . . . . . . . . 5656 1 312 . 1 1 45 45 GLN CA C 13 58.33 . . 1 . . . . . . . . 5656 1 313 . 1 1 45 45 GLN CB C 13 27.53 . . 1 . . . . . . . . 5656 1 314 . 1 1 45 45 GLN HE21 H 1 7.86 . . 2 . . . . . . . . 5656 1 315 . 1 1 45 45 GLN HE22 H 1 6.95 . . 2 . . . . . . . . 5656 1 316 . 1 1 45 45 GLN NE2 N 15 116.61 . . 1 . . . . . . . . 5656 1 317 . 1 1 45 45 GLN N N 15 119.2 . . 1 . . . . . . . . 5656 1 318 . 1 1 46 46 SER H H 1 8.05 . . 1 . . . . . . . . 5656 1 319 . 1 1 46 46 SER C C 13 176.2 . . 1 . . . . . . . . 5656 1 320 . 1 1 46 46 SER CA C 13 62.19 . . 1 . . . . . . . . 5656 1 321 . 1 1 46 46 SER CB C 13 62.16 . . 1 . . . . . . . . 5656 1 322 . 1 1 46 46 SER N N 15 114.9 . . 1 . . . . . . . . 5656 1 323 . 1 1 47 47 LEU H H 1 8.09 . . 1 . . . . . . . . 5656 1 324 . 1 1 47 47 LEU C C 13 177.5 . . 1 . . . . . . . . 5656 1 325 . 1 1 47 47 LEU CA C 13 57.42 . . 1 . . . . . . . . 5656 1 326 . 1 1 47 47 LEU CB C 13 41.54 . . 1 . . . . . . . . 5656 1 327 . 1 1 47 47 LEU CD1 C 13 25.05 . . 2 . . . . . . . . 5656 1 328 . 1 1 47 47 LEU CD2 C 13 26.07 . . 2 . . . . . . . . 5656 1 329 . 1 1 47 47 LEU HD11 H 1 0.74 . . 2 . . . . . . . . 5656 1 330 . 1 1 47 47 LEU HD12 H 1 0.74 . . 2 . . . . . . . . 5656 1 331 . 1 1 47 47 LEU HD13 H 1 0.74 . . 2 . . . . . . . . 5656 1 332 . 1 1 47 47 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 5656 1 333 . 1 1 47 47 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 5656 1 334 . 1 1 47 47 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 5656 1 335 . 1 1 47 47 LEU N N 15 124.1 . . 1 . . . . . . . . 5656 1 336 . 1 1 48 48 LYS H H 1 7.98 . . 1 . . . . . . . . 5656 1 337 . 1 1 48 48 LYS C C 13 179.2 . . 1 . . . . . . . . 5656 1 338 . 1 1 48 48 LYS CA C 13 59.37 . . 1 . . . . . . . . 5656 1 339 . 1 1 48 48 LYS CB C 13 31.80 . . 1 . . . . . . . . 5656 1 340 . 1 1 48 48 LYS N N 15 115.4 . . 1 . . . . . . . . 5656 1 341 . 1 1 49 49 ASP H H 1 8.15 . . 1 . . . . . . . . 5656 1 342 . 1 1 49 49 ASP C C 13 177.5 . . 1 . . . . . . . . 5656 1 343 . 1 1 49 49 ASP CA C 13 56.43 . . 1 . . . . . . . . 5656 1 344 . 1 1 49 49 ASP CB C 13 40.41 . . 1 . . . . . . . . 5656 1 345 . 1 1 49 49 ASP N N 15 117.8 . . 1 . . . . . . . . 5656 1 346 . 1 1 50 50 ASP H H 1 7.56 . . 1 . . . . . . . . 5656 1 347 . 1 1 50 50 ASP CA C 13 51.61 . . 1 . . . . . . . . 5656 1 348 . 1 1 50 50 ASP CB C 13 39.84 . . 1 . . . . . . . . 5656 1 349 . 1 1 50 50 ASP N N 15 113.6 . . 1 . . . . . . . . 5656 1 350 . 1 1 51 51 PRO C C 13 178.5 . . 1 . . . . . . . . 5656 1 351 . 1 1 51 51 PRO CA C 13 64.33 . . 1 . . . . . . . . 5656 1 352 . 1 1 51 51 PRO CB C 13 31.18 . . 1 . . . . . . . . 5656 1 353 . 1 1 52 52 SER H H 1 7.98 . . 1 . . . . . . . . 5656 1 354 . 1 1 52 52 SER C C 13 176.4 . . 1 . . . . . . . . 5656 1 355 . 1 1 52 52 SER CA C 13 60.90 . . 1 . . . . . . . . 5656 1 356 . 1 1 52 52 SER CB C 13 61.97 . . 1 . . . . . . . . 5656 1 357 . 1 1 52 52 SER N N 15 112.5 . . 1 . . . . . . . . 5656 1 358 . 1 1 53 53 GLN H H 1 7.85 . . 1 . . . . . . . . 5656 1 359 . 1 1 53 53 GLN C C 13 176.4 . . 1 . . . . . . . . 5656 1 360 . 1 1 53 53 GLN CA C 13 54.78 . . 1 . . . . . . . . 5656 1 361 . 1 1 53 53 GLN CB C 13 27.46 . . 1 . . . . . . . . 5656 1 362 . 1 1 53 53 GLN HE21 H 1 7.59 . . 2 . . . . . . . . 5656 1 363 . 1 1 53 53 GLN HE22 H 1 6.86 . . 2 . . . . . . . . 5656 1 364 . 1 1 53 53 GLN NE2 N 15 114.41 . . 1 . . . . . . . . 5656 1 365 . 1 1 53 53 GLN N N 15 120.3 . . 1 . . . . . . . . 5656 1 366 . 1 1 54 54 SER H H 1 7.76 . . 1 . . . . . . . . 5656 1 367 . 1 1 54 54 SER C C 13 174.3 . . 1 . . . . . . . . 5656 1 368 . 1 1 54 54 SER CA C 13 63.13 . . 1 . . . . . . . . 5656 1 369 . 1 1 54 54 SER CB C 13 62.22 . . 1 . . . . . . . . 5656 1 370 . 1 1 54 54 SER N N 15 115.3 . . 1 . . . . . . . . 5656 1 371 . 1 1 55 55 ALA H H 1 8.47 . . 1 . . . . . . . . 5656 1 372 . 1 1 55 55 ALA C C 13 181.2 . . 1 . . . . . . . . 5656 1 373 . 1 1 55 55 ALA CA C 13 55.26 . . 1 . . . . . . . . 5656 1 374 . 1 1 55 55 ALA CB C 13 17.29 . . 1 . . . . . . . . 5656 1 375 . 1 1 55 55 ALA N N 15 122.8 . . 1 . . . . . . . . 5656 1 376 . 1 1 56 56 ASN H H 1 7.91 . . 1 . . . . . . . . 5656 1 377 . 1 1 56 56 ASN C C 13 178.0 . . 1 . . . . . . . . 5656 1 378 . 1 1 56 56 ASN CA C 13 55.58 . . 1 . . . . . . . . 5656 1 379 . 1 1 56 56 ASN CB C 13 37.67 . . 1 . . . . . . . . 5656 1 380 . 1 1 56 56 ASN HD21 H 1 7.77 . . 2 . . . . . . . . 5656 1 381 . 1 1 56 56 ASN HD22 H 1 7.01 . . 2 . . . . . . . . 5656 1 382 . 1 1 56 56 ASN ND2 N 15 113.13 . . 1 . . . . . . . . 5656 1 383 . 1 1 56 56 ASN N N 15 118.4 . . 1 . . . . . . . . 5656 1 384 . 1 1 57 57 LEU H H 1 8.59 . . 1 . . . . . . . . 5656 1 385 . 1 1 57 57 LEU C C 13 178.5 . . 1 . . . . . . . . 5656 1 386 . 1 1 57 57 LEU CA C 13 57.49 . . 1 . . . . . . . . 5656 1 387 . 1 1 57 57 LEU CB C 13 41.60 . . 1 . . . . . . . . 5656 1 388 . 1 1 57 57 LEU CD1 C 13 23.07 . . 2 . . . . . . . . 5656 1 389 . 1 1 57 57 LEU CD2 C 13 26.02 . . 2 . . . . . . . . 5656 1 390 . 1 1 57 57 LEU HD11 H 1 1.08 . . 2 . . . . . . . . 5656 1 391 . 1 1 57 57 LEU HD12 H 1 1.08 . . 2 . . . . . . . . 5656 1 392 . 1 1 57 57 LEU HD13 H 1 1.08 . . 2 . . . . . . . . 5656 1 393 . 1 1 57 57 LEU HD21 H 1 0.74 . . 2 . . . . . . . . 5656 1 394 . 1 1 57 57 LEU HD22 H 1 0.74 . . 2 . . . . . . . . 5656 1 395 . 1 1 57 57 LEU HD23 H 1 0.74 . . 2 . . . . . . . . 5656 1 396 . 1 1 57 57 LEU N N 15 121.3 . . 1 . . . . . . . . 5656 1 397 . 1 1 58 58 LEU H H 1 8.40 . . 1 . . . . . . . . 5656 1 398 . 1 1 58 58 LEU C C 13 178.1 . . 1 . . . . . . . . 5656 1 399 . 1 1 58 58 LEU CA C 13 57.52 . . 1 . . . . . . . . 5656 1 400 . 1 1 58 58 LEU CB C 13 41.17 . . 1 . . . . . . . . 5656 1 401 . 1 1 58 58 LEU CD1 C 13 23.51 . . 2 . . . . . . . . 5656 1 402 . 1 1 58 58 LEU CD2 C 13 24.41 . . 2 . . . . . . . . 5656 1 403 . 1 1 58 58 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 5656 1 404 . 1 1 58 58 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 5656 1 405 . 1 1 58 58 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 5656 1 406 . 1 1 58 58 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 5656 1 407 . 1 1 58 58 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 5656 1 408 . 1 1 58 58 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 5656 1 409 . 1 1 58 58 LEU N N 15 118.5 . . 1 . . . . . . . . 5656 1 410 . 1 1 59 59 ALA H H 1 7.58 . . 1 . . . . . . . . 5656 1 411 . 1 1 59 59 ALA C C 13 181.4 . . 1 . . . . . . . . 5656 1 412 . 1 1 59 59 ALA CA C 13 54.95 . . 1 . . . . . . . . 5656 1 413 . 1 1 59 59 ALA CB C 13 17.20 . . 1 . . . . . . . . 5656 1 414 . 1 1 59 59 ALA N N 15 119.2 . . 1 . . . . . . . . 5656 1 415 . 1 1 60 60 GLU H H 1 8.06 . . 1 . . . . . . . . 5656 1 416 . 1 1 60 60 GLU C C 13 179.1 . . 1 . . . . . . . . 5656 1 417 . 1 1 60 60 GLU CA C 13 58.80 . . 1 . . . . . . . . 5656 1 418 . 1 1 60 60 GLU CB C 13 28.88 . . 1 . . . . . . . . 5656 1 419 . 1 1 60 60 GLU N N 15 119.2 . . 1 . . . . . . . . 5656 1 420 . 1 1 61 61 ALA H H 1 8.45 . . 1 . . . . . . . . 5656 1 421 . 1 1 61 61 ALA C C 13 179.7 . . 1 . . . . . . . . 5656 1 422 . 1 1 61 61 ALA CA C 13 55.01 . . 1 . . . . . . . . 5656 1 423 . 1 1 61 61 ALA CB C 13 16.68 . . 1 . . . . . . . . 5656 1 424 . 1 1 61 61 ALA N N 15 123.8 . . 1 . . . . . . . . 5656 1 425 . 1 1 62 62 LYS H H 1 8.47 . . 1 . . . . . . . . 5656 1 426 . 1 1 62 62 LYS C C 13 178.9 . . 1 . . . . . . . . 5656 1 427 . 1 1 62 62 LYS CA C 13 60.01 . . 1 . . . . . . . . 5656 1 428 . 1 1 62 62 LYS CB C 13 31.29 . . 1 . . . . . . . . 5656 1 429 . 1 1 62 62 LYS N N 15 117.9 . . 1 . . . . . . . . 5656 1 430 . 1 1 63 63 LYS H H 1 7.66 . . 1 . . . . . . . . 5656 1 431 . 1 1 63 63 LYS C C 13 179.9 . . 1 . . . . . . . . 5656 1 432 . 1 1 63 63 LYS CA C 13 59.47 . . 1 . . . . . . . . 5656 1 433 . 1 1 63 63 LYS CB C 13 31.58 . . 1 . . . . . . . . 5656 1 434 . 1 1 63 63 LYS N N 15 119.9 . . 1 . . . . . . . . 5656 1 435 . 1 1 64 64 LEU H H 1 7.89 . . 1 . . . . . . . . 5656 1 436 . 1 1 64 64 LEU C C 13 178.2 . . 1 . . . . . . . . 5656 1 437 . 1 1 64 64 LEU CA C 13 57.20 . . 1 . . . . . . . . 5656 1 438 . 1 1 64 64 LEU CB C 13 41.21 . . 1 . . . . . . . . 5656 1 439 . 1 1 64 64 LEU CD1 C 13 23.48 . . 2 . . . . . . . . 5656 1 440 . 1 1 64 64 LEU CD2 C 13 24.68 . . 2 . . . . . . . . 5656 1 441 . 1 1 64 64 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 5656 1 442 . 1 1 64 64 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 5656 1 443 . 1 1 64 64 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 5656 1 444 . 1 1 64 64 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 5656 1 445 . 1 1 64 64 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 5656 1 446 . 1 1 64 64 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 5656 1 447 . 1 1 64 64 LEU N N 15 122.0 . . 1 . . . . . . . . 5656 1 448 . 1 1 65 65 ASN H H 1 8.54 . . 1 . . . . . . . . 5656 1 449 . 1 1 65 65 ASN C C 13 177.7 . . 1 . . . . . . . . 5656 1 450 . 1 1 65 65 ASN CA C 13 57.46 . . 1 . . . . . . . . 5656 1 451 . 1 1 65 65 ASN CB C 13 41.20 . . 1 . . . . . . . . 5656 1 452 . 1 1 65 65 ASN HD21 H 1 7.94 . . 2 . . . . . . . . 5656 1 453 . 1 1 65 65 ASN HD22 H 1 6.85 . . 2 . . . . . . . . 5656 1 454 . 1 1 65 65 ASN ND2 N 15 116.30 . . 1 . . . . . . . . 5656 1 455 . 1 1 65 65 ASN N N 15 116.7 . . 1 . . . . . . . . 5656 1 456 . 1 1 66 66 ASP H H 1 8.24 . . 1 . . . . . . . . 5656 1 457 . 1 1 66 66 ASP C C 13 179.1 . . 1 . . . . . . . . 5656 1 458 . 1 1 66 66 ASP CA C 13 56.79 . . 1 . . . . . . . . 5656 1 459 . 1 1 66 66 ASP CB C 13 39.46 . . 1 . . . . . . . . 5656 1 460 . 1 1 66 66 ASP N N 15 118.6 . . 1 . . . . . . . . 5656 1 461 . 1 1 67 67 ALA H H 1 8.00 . . 1 . . . . . . . . 5656 1 462 . 1 1 67 67 ALA C C 13 179.5 . . 1 . . . . . . . . 5656 1 463 . 1 1 67 67 ALA CA C 13 54.11 . . 1 . . . . . . . . 5656 1 464 . 1 1 67 67 ALA CB C 13 17.88 . . 1 . . . . . . . . 5656 1 465 . 1 1 67 67 ALA N N 15 122.7 . . 1 . . . . . . . . 5656 1 466 . 1 1 68 68 GLN H H 1 7.51 . . 1 . . . . . . . . 5656 1 467 . 1 1 68 68 GLN C C 13 174.2 . . 1 . . . . . . . . 5656 1 468 . 1 1 68 68 GLN CA C 13 54.66 . . 1 . . . . . . . . 5656 1 469 . 1 1 68 68 GLN CB C 13 27.46 . . 1 . . . . . . . . 5656 1 470 . 1 1 68 68 GLN HE21 H 1 8.75 . . 2 . . . . . . . . 5656 1 471 . 1 1 68 68 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 5656 1 472 . 1 1 68 68 GLN NE2 N 15 111.17 . . 1 . . . . . . . . 5656 1 473 . 1 1 68 68 GLN N N 15 114.8 . . 1 . . . . . . . . 5656 1 474 . 1 1 69 69 ALA H H 1 7.08 . . 1 . . . . . . . . 5656 1 475 . 1 1 69 69 ALA C C 13 175.6 . . 1 . . . . . . . . 5656 1 476 . 1 1 69 69 ALA CA C 13 50.77 . . 1 . . . . . . . . 5656 1 477 . 1 1 69 69 ALA CB C 13 17.23 . . 1 . . . . . . . . 5656 1 478 . 1 1 69 69 ALA N N 15 124.2 . . 1 . . . . . . . . 5656 1 479 . 1 1 70 70 PRO C C 13 176.3 . . 1 . . . . . . . . 5656 1 480 . 1 1 70 70 PRO CA C 13 63.02 . . 1 . . . . . . . . 5656 1 481 . 1 1 70 70 PRO CB C 13 31.21 . . 1 . . . . . . . . 5656 1 482 . 1 1 71 71 LYS H H 1 8.08 . . 1 . . . . . . . . 5656 1 483 . 1 1 71 71 LYS C C 13 181.7 . . 1 . . . . . . . . 5656 1 484 . 1 1 71 71 LYS CA C 13 57.13 . . 1 . . . . . . . . 5656 1 485 . 1 1 71 71 LYS CB C 13 32.96 . . 1 . . . . . . . . 5656 1 486 . 1 1 71 71 LYS N N 15 127.4 . . 1 . . . . . . . . 5656 1 stop_ save_