data_6715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6715 _Entry.Title ; Solution NMR Structure of the Membrane Protein Stannin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-30 _Entry.Accession_date 2005-07-21 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 B. Buck-Koehntop . A. . 6715 2 A. Mascioni . . . 6715 3 J. Buffy . J. . 6715 4 G. Veglia . . . 6715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 165 6715 '13C chemical shifts' 170 6715 '15N chemical shifts' 83 6715 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-29 2005-06-30 original author . 6715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16246365 _Citation.Full_citation . _Citation.Title ; Structure, Dynamics, and Membrane Topology of Stannin: A Mediator of Neuronal Cell Apoptosis Induced by Trimethyltin Chloride. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 354 _Citation.Journal_issue 3 _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 652 _Citation.Page_last 665 _Citation.Year 2005 _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 B. Buck-Koehntop . A. . 6715 1 2 A. Mascioni . . . 6715 1 3 J. Buffy . J. . 6715 1 4 G. Veglia . . . 6715 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix 6715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Stannin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Stannin _Assembly.Entry_ID 6715 _Assembly.ID 1 _Assembly.Name Stannin _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 'all free' _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 6715 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 Stannin 1 $Stannin . . . native . . . . . 6715 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ZZA . . . . . . 6715 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Stannin system 6715 1 Stannin abbreviation 6715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Stannin _Entity.Sf_category entity _Entity.Sf_framecode Stannin _Entity.Entry_ID 6715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Stannin _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 ; GSMSIMDHSPTTGVVTVIVI LIAIAALGALILGCWCYLRL QRISQSEDEESIVGDGETKE PFLLVQYSAKGPCVERKAKL MTPNGPEVHG ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 PDB 1ZZA . "Solution Nmr Structure Of The Membrane Protein Stannin" . . . . . 100.00 90 100.00 100.00 5.09e-58 . . . . 6715 1 2 no DBJ BAE29024 . "unnamed protein product [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 3 no DBJ BAI46912 . "stannin [synthetic construct]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 4 no EMBL CAB82314 . "hypothetical protein [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 5 no EMBL CAG46924 . "SNN [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 6 no EMBL CAG46935 . "SNN [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 7 no EMBL CAL37610 . "hypothetical protein [synthetic construct]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 8 no GB AAC28427 . "stannin [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 9 no GB AAC28428 . "stannin [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 10 no GB AAC83231 . "stannin [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 11 no GB AAH06961 . "Stannin [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 12 no GB AAH17685 . "Stannin [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 13 no REF NP_001029255 . "stannin [Rattus norvegicus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 14 no REF NP_001107194 . "stannin [Bos taurus]" . . . . . 96.67 87 98.85 98.85 2.72e-53 . . . . 6715 1 15 no REF NP_001180368 . "stannin [Macaca mulatta]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 16 no REF NP_003489 . "stannin [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 17 no REF NP_033249 . "stannin [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 18 no SP O75324 . "RecName: Full=Stannin; AltName: Full=AG8_1 [Homo sapiens]" . . . . . 97.78 88 100.00 100.00 1.33e-56 . . . . 6715 1 19 no SP P61807 . "RecName: Full=Stannin [Mus musculus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 20 no SP P61808 . "RecName: Full=Stannin [Rattus norvegicus]" . . . . . 97.78 88 97.73 97.73 5.25e-55 . . . . 6715 1 21 no SP Q17Q87 . "RecName: Full=Stannin [Bos taurus]" . . . . . 96.67 87 98.85 98.85 2.72e-53 . . . . 6715 1 22 no TPG DAA15615 . "TPA: stannin [Bos taurus]" . . . . . 96.67 87 98.85 98.85 2.72e-53 . . . . 6715 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Stannin common 6715 1 Stannin abbreviation 6715 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6715 1 2 . SER . 6715 1 3 . MET . 6715 1 4 . SER . 6715 1 5 . ILE . 6715 1 6 . MET . 6715 1 7 . ASP . 6715 1 8 . HIS . 6715 1 9 . SER . 6715 1 10 . PRO . 6715 1 11 . THR . 6715 1 12 . THR . 6715 1 13 . GLY . 6715 1 14 . VAL . 6715 1 15 . VAL . 6715 1 16 . THR . 6715 1 17 . VAL . 6715 1 18 . ILE . 6715 1 19 . VAL . 6715 1 20 . ILE . 6715 1 21 . LEU . 6715 1 22 . ILE . 6715 1 23 . ALA . 6715 1 24 . ILE . 6715 1 25 . ALA . 6715 1 26 . ALA . 6715 1 27 . LEU . 6715 1 28 . GLY . 6715 1 29 . ALA . 6715 1 30 . LEU . 6715 1 31 . ILE . 6715 1 32 . LEU . 6715 1 33 . GLY . 6715 1 34 . CYS . 6715 1 35 . TRP . 6715 1 36 . CYS . 6715 1 37 . TYR . 6715 1 38 . LEU . 6715 1 39 . ARG . 6715 1 40 . LEU . 6715 1 41 . GLN . 6715 1 42 . ARG . 6715 1 43 . ILE . 6715 1 44 . SER . 6715 1 45 . GLN . 6715 1 46 . SER . 6715 1 47 . GLU . 6715 1 48 . ASP . 6715 1 49 . GLU . 6715 1 50 . GLU . 6715 1 51 . SER . 6715 1 52 . ILE . 6715 1 53 . VAL . 6715 1 54 . GLY . 6715 1 55 . ASP . 6715 1 56 . GLY . 6715 1 57 . GLU . 6715 1 58 . THR . 6715 1 59 . LYS . 6715 1 60 . GLU . 6715 1 61 . PRO . 6715 1 62 . PHE . 6715 1 63 . LEU . 6715 1 64 . LEU . 6715 1 65 . VAL . 6715 1 66 . GLN . 6715 1 67 . TYR . 6715 1 68 . SER . 6715 1 69 . ALA . 6715 1 70 . LYS . 6715 1 71 . GLY . 6715 1 72 . PRO . 6715 1 73 . CYS . 6715 1 74 . VAL . 6715 1 75 . GLU . 6715 1 76 . ARG . 6715 1 77 . LYS . 6715 1 78 . ALA . 6715 1 79 . LYS . 6715 1 80 . LEU . 6715 1 81 . MET . 6715 1 82 . THR . 6715 1 83 . PRO . 6715 1 84 . ASN . 6715 1 85 . GLY . 6715 1 86 . PRO . 6715 1 87 . GLU . 6715 1 88 . VAL . 6715 1 89 . HIS . 6715 1 90 . GLY . 6715 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 6715 1 . SER 2 2 6715 1 . MET 3 3 6715 1 . SER 4 4 6715 1 . ILE 5 5 6715 1 . MET 6 6 6715 1 . ASP 7 7 6715 1 . HIS 8 8 6715 1 . SER 9 9 6715 1 . PRO 10 10 6715 1 . THR 11 11 6715 1 . THR 12 12 6715 1 . GLY 13 13 6715 1 . VAL 14 14 6715 1 . VAL 15 15 6715 1 . THR 16 16 6715 1 . VAL 17 17 6715 1 . ILE 18 18 6715 1 . VAL 19 19 6715 1 . ILE 20 20 6715 1 . LEU 21 21 6715 1 . ILE 22 22 6715 1 . ALA 23 23 6715 1 . ILE 24 24 6715 1 . ALA 25 25 6715 1 . ALA 26 26 6715 1 . LEU 27 27 6715 1 . GLY 28 28 6715 1 . ALA 29 29 6715 1 . LEU 30 30 6715 1 . ILE 31 31 6715 1 . LEU 32 32 6715 1 . GLY 33 33 6715 1 . CYS 34 34 6715 1 . TRP 35 35 6715 1 . CYS 36 36 6715 1 . TYR 37 37 6715 1 . LEU 38 38 6715 1 . ARG 39 39 6715 1 . LEU 40 40 6715 1 . GLN 41 41 6715 1 . ARG 42 42 6715 1 . ILE 43 43 6715 1 . SER 44 44 6715 1 . GLN 45 45 6715 1 . SER 46 46 6715 1 . GLU 47 47 6715 1 . ASP 48 48 6715 1 . GLU 49 49 6715 1 . GLU 50 50 6715 1 . SER 51 51 6715 1 . ILE 52 52 6715 1 . VAL 53 53 6715 1 . GLY 54 54 6715 1 . ASP 55 55 6715 1 . GLY 56 56 6715 1 . GLU 57 57 6715 1 . THR 58 58 6715 1 . LYS 59 59 6715 1 . GLU 60 60 6715 1 . PRO 61 61 6715 1 . PHE 62 62 6715 1 . LEU 63 63 6715 1 . LEU 64 64 6715 1 . VAL 65 65 6715 1 . GLN 66 66 6715 1 . TYR 67 67 6715 1 . SER 68 68 6715 1 . ALA 69 69 6715 1 . LYS 70 70 6715 1 . GLY 71 71 6715 1 . PRO 72 72 6715 1 . CYS 73 73 6715 1 . VAL 74 74 6715 1 . GLU 75 75 6715 1 . ARG 76 76 6715 1 . LYS 77 77 6715 1 . ALA 78 78 6715 1 . LYS 79 79 6715 1 . LEU 80 80 6715 1 . MET 81 81 6715 1 . THR 82 82 6715 1 . PRO 83 83 6715 1 . ASN 84 84 6715 1 . GLY 85 85 6715 1 . PRO 86 86 6715 1 . GLU 87 87 6715 1 . VAL 88 88 6715 1 . HIS 89 89 6715 1 . GLY 90 90 6715 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 6715 _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 $Stannin . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6715 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 6715 _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 $Stannin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; The gene encoding for stannin was inserted in the pMal-c2e DNA plasmid and the protein expressed in the BL21(DE3) strain of E. coli. ; . . 6715 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6715 _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 Stannin [U-15N] . . 1 $Stannin . . . 0.5 0.7 mM . . . . 6715 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6715 1 3 'd25-sodium dodecyl sulfate' . . . . . . . 600 . . mM . . . . 6715 1 4 'sodium azide' . . . . . . . 0.02 . . % . . . . 6715 1 5 DTT . . . . . . . 0.7 . . mM . . . . 6715 1 6 H2O . . . . . . . 90 . . % . . . . 6715 1 7 D2O . . . . . . . 10 . . % . . . . 6715 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6715 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Stannin '[U-13C; U-15N]' . . 1 $Stannin . . . 0.5 0.7 mM . . . . 6715 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 6715 2 3 'd25-sodium dodecyl sulfate' . . . . . . . 600 . . mM . . . . 6715 2 4 'sodium azide' . . . . . . . 0.02 . . % . . . . 6715 2 5 DTT . . . . . . . 0.7 . . mM . . . . 6715 2 6 H2O . . . . . . . 90 . . % . . . . 6715 2 7 D2O . . . . . . . 10 . . % . . . . 6715 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6715 _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 4.0 . pH 6715 1 temperature 333 . K 6715 1 'ionic strength' 120 . mM 6715 1 pressure 1 . atm 6715 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6715 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1c _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6715 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6715 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6715 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6715 _Software.ID 3 _Software.Name Sparky _Software.Version 3.111 _Software.Details 'Goddard and Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6715 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6715 _Software.ID 4 _Software.Name X-PLOR _Software.Version 2.11 _Software.Details 'Schwieters, Kuszewski, Tjandra and Clore' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution, refinement' 6715 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6715 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6715 _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 Varian INOVA . 800 . . . 6715 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 6715 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6715 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 6715 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _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 . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6715 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal . 1.0 . . . . . . . . . 6715 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external . 0.251449530 . . . . . . . . . 6715 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external . 0.101329118 . . . . . . . . . 6715 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6715 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6715 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 3 3 MET H H 1 8.2 . . . . . . . . . . . 6715 1 2 . 1 1 3 3 MET N N 15 121.6 . . . . . . . . . . . 6715 1 3 . 1 1 3 3 MET CA C 13 56.4 . . . . . . . . . . . 6715 1 4 . 1 1 3 3 MET C C 13 174.4 . . . . . . . . . . . 6715 1 5 . 1 1 3 3 MET HA H 1 4.6 . . . . . . . . . . . 6715 1 6 . 1 1 4 4 SER H H 1 8.1 . . . . . . . . . . . 6715 1 7 . 1 1 4 4 SER N N 15 116.8 . . . . . . . . . . . 6715 1 8 . 1 1 4 4 SER CA C 13 58.9 . . . . . . . . . . . 6715 1 9 . 1 1 4 4 SER HA H 1 4.6 . . . . . . . . . . . 6715 1 10 . 1 1 4 4 SER C C 13 176.0 . . . . . . . . . . . 6715 1 11 . 1 1 5 5 ILE H H 1 7.9 . . . . . . . . . . . 6715 1 12 . 1 1 5 5 ILE N N 15 121.4 . . . . . . . . . . . 6715 1 13 . 1 1 5 5 ILE CA C 13 63.1 . . . . . . . . . . . 6715 1 14 . 1 1 5 5 ILE HA H 1 4.1 . . . . . . . . . . . 6715 1 15 . 1 1 5 5 ILE C C 13 175.3 . . . . . . . . . . . 6715 1 16 . 1 1 6 6 MET H H 1 7.9 . . . . . . . . . . . 6715 1 17 . 1 1 6 6 MET N N 15 118.5 . . . . . . . . . . . 6715 1 18 . 1 1 6 6 MET CA C 13 56.4 . . . . . . . . . . . 6715 1 19 . 1 1 6 6 MET HA H 1 4.5 . . . . . . . . . . . 6715 1 20 . 1 1 6 6 MET C C 13 176.3 . . . . . . . . . . . 6715 1 21 . 1 1 7 7 ASP H H 1 8.0 . . . . . . . . . . . 6715 1 22 . 1 1 7 7 ASP N N 15 117.7 . . . . . . . . . . . 6715 1 23 . 1 1 7 7 ASP CA C 13 53.8 . . . . . . . . . . . 6715 1 24 . 1 1 7 7 ASP HA H 1 4.7 . . . . . . . . . . . 6715 1 25 . 1 1 7 7 ASP C C 13 176.6 . . . . . . . . . . . 6715 1 26 . 1 1 8 8 HIS H H 1 7.9 . . . . . . . . . . . 6715 1 27 . 1 1 8 8 HIS N N 15 117.0 . . . . . . . . . . . 6715 1 28 . 1 1 8 8 HIS CA C 13 55.6 . . . . . . . . . . . 6715 1 29 . 1 1 8 8 HIS HA H 1 4.8 . . . . . . . . . . . 6715 1 30 . 1 1 8 8 HIS C C 13 175.0 . . . . . . . . . . . 6715 1 31 . 1 1 9 9 SER H H 1 8.0 . . . . . . . . . . . 6715 1 32 . 1 1 9 9 SER N N 15 116.4 . . . . . . . . . . . 6715 1 33 . 1 1 9 9 SER CA C 13 56.6 . . . . . . . . . . . 6715 1 34 . 1 1 9 9 SER HA H 1 4.5 . . . . . . . . . . . 6715 1 35 . 1 1 9 9 SER C C 13 173.5 . . . . . . . . . . . 6715 1 36 . 1 1 10 10 PRO HA H 1 4.7 . . . . . . . . . . . 6715 1 37 . 1 1 10 10 PRO CA C 13 63.9 . . . . . . . . . . . 6715 1 38 . 1 1 11 11 THR H H 1 7.8 . . . . . . . . . . . 6715 1 39 . 1 1 11 11 THR N N 15 112.6 . . . . . . . . . . . 6715 1 40 . 1 1 11 11 THR CA C 13 62.5 . . . . . . . . . . . 6715 1 41 . 1 1 11 11 THR HA H 1 4.5 . . . . . . . . . . . 6715 1 42 . 1 1 11 11 THR C C 13 176.8 . . . . . . . . . . . 6715 1 43 . 1 1 12 12 THR N N 15 115.2 . . . . . . . . . . . 6715 1 44 . 1 1 12 12 THR CA C 13 63.8 . . . . . . . . . . . 6715 1 45 . 1 1 12 12 THR HA H 1 4.3 . . . . . . . . . . . 6715 1 46 . 1 1 12 12 THR C C 13 175.1 . . . . . . . . . . . 6715 1 47 . 1 1 13 13 GLY H H 1 8.3 . . . . . . . . . . . 6715 1 48 . 1 1 13 13 GLY N N 15 111.4 . . . . . . . . . . . 6715 1 49 . 1 1 13 13 GLY CA C 13 47.2 . . . . . . . . . . . 6715 1 50 . 1 1 13 13 GLY HA2 H 1 4.1 . . . . . . . . . . . 6715 1 51 . 1 1 13 13 GLY C C 13 176.1 . . . . . . . . . . . 6715 1 52 . 1 1 14 14 VAL H H 1 7.8 . . . . . . . . . . . 6715 1 53 . 1 1 14 14 VAL N N 15 120.0 . . . . . . . . . . . 6715 1 54 . 1 1 14 14 VAL CA C 13 66.2 . . . . . . . . . . . 6715 1 55 . 1 1 14 14 VAL HA H 1 3.9 . . . . . . . . . . . 6715 1 56 . 1 1 14 14 VAL C C 13 174.5 . . . . . . . . . . . 6715 1 57 . 1 1 15 15 VAL H H 1 7.7 . . . . . . . . . . . 6715 1 58 . 1 1 15 15 VAL N N 15 118.8 . . . . . . . . . . . 6715 1 59 . 1 1 15 15 VAL CA C 13 67.0 . . . . . . . . . . . 6715 1 60 . 1 1 15 15 VAL C C 13 176.8 . . . . . . . . . . . 6715 1 61 . 1 1 15 15 VAL HA H 1 3.7 . . . . . . . . . . . 6715 1 62 . 1 1 16 16 THR H H 1 7.6 . . . . . . . . . . . 6715 1 63 . 1 1 16 16 THR N N 15 115.3 . . . . . . . . . . . 6715 1 64 . 1 1 16 16 THR CA C 13 67.7 . . . . . . . . . . . 6715 1 65 . 1 1 16 16 THR HA H 1 3.8 . . . . . . . . . . . 6715 1 66 . 1 1 16 16 THR C C 13 176.6 . . . . . . . . . . . 6715 1 67 . 1 1 17 17 VAL H H 1 7.5 . . . . . . . . . . . 6715 1 68 . 1 1 17 17 VAL N N 15 118.6 . . . . . . . . . . . 6715 1 69 . 1 1 17 17 VAL CA C 13 67.3 . . . . . . . . . . . 6715 1 70 . 1 1 17 17 VAL HA H 1 3.6 . . . . . . . . . . . 6715 1 71 . 1 1 17 17 VAL C C 13 175.3 . . . . . . . . . . . 6715 1 72 . 1 1 18 18 ILE H H 1 7.8 . . . . . . . . . . . 6715 1 73 . 1 1 18 18 ILE N N 15 118.8 . . . . . . . . . . . 6715 1 74 . 1 1 18 18 ILE CA C 13 65.7 . . . . . . . . . . . 6715 1 75 . 1 1 18 18 ILE HA H 1 3.7 . . . . . . . . . . . 6715 1 76 . 1 1 18 18 ILE C C 13 177.9 . . . . . . . . . . . 6715 1 77 . 1 1 19 19 VAL H H 1 8.1 . . . . . . . . . . . 6715 1 78 . 1 1 19 19 VAL N N 15 118.4 . . . . . . . . . . . 6715 1 79 . 1 1 19 19 VAL CA C 13 67.7 . . . . . . . . . . . 6715 1 80 . 1 1 19 19 VAL HA H 1 3.7 . . . . . . . . . . . 6715 1 81 . 1 1 19 19 VAL C C 13 177.2 . . . . . . . . . . . 6715 1 82 . 1 1 20 20 ILE H H 1 7.8 . . . . . . . . . . . 6715 1 83 . 1 1 20 20 ILE N N 15 118.8 . . . . . . . . . . . 6715 1 84 . 1 1 20 20 ILE CA C 13 65.8 . . . . . . . . . . . 6715 1 85 . 1 1 20 20 ILE HA H 1 3.7 . . . . . . . . . . . 6715 1 86 . 1 1 20 20 ILE C C 13 177.5 . . . . . . . . . . . 6715 1 87 . 1 1 21 21 LEU H H 1 8.1 . . . . . . . . . . . 6715 1 88 . 1 1 21 21 LEU N N 15 119.5 . . . . . . . . . . . 6715 1 89 . 1 1 21 21 LEU CA C 13 58.9 . . . . . . . . . . . 6715 1 90 . 1 1 21 21 LEU HA H 1 4.1 . . . . . . . . . . . 6715 1 91 . 1 1 21 21 LEU C C 13 177.1 . . . . . . . . . . . 6715 1 92 . 1 1 22 22 ILE H H 1 8.2 . . . . . . . . . . . 6715 1 93 . 1 1 22 22 ILE N N 15 118.1 . . . . . . . . . . . 6715 1 94 . 1 1 22 22 ILE CA C 13 65.4 . . . . . . . . . . . 6715 1 95 . 1 1 22 22 ILE HA H 1 3.7 . . . . . . . . . . . 6715 1 96 . 1 1 22 22 ILE C C 13 178.5 . . . . . . . . . . . 6715 1 97 . 1 1 23 23 ALA H H 1 8.3 . . . . . . . . . . . 6715 1 98 . 1 1 23 23 ALA N N 15 122.2 . . . . . . . . . . . 6715 1 99 . 1 1 23 23 ALA CA C 13 56.1 . . . . . . . . . . . 6715 1 100 . 1 1 23 23 ALA HA H 1 4.0 . . . . . . . . . . . 6715 1 101 . 1 1 23 23 ALA C C 13 177.0 . . . . . . . . . . . 6715 1 102 . 1 1 24 24 ILE H H 1 8.3 . . . . . . . . . . . 6715 1 103 . 1 1 24 24 ILE N N 15 116.7 . . . . . . . . . . . 6715 1 104 . 1 1 24 24 ILE CA C 13 65.4 . . . . . . . . . . . 6715 1 105 . 1 1 24 24 ILE HA H 1 3.7 . . . . . . . . . . . 6715 1 106 . 1 1 24 24 ILE C C 13 179.1 . . . . . . . . . . . 6715 1 107 . 1 1 25 25 ALA H H 1 8.3 . . . . . . . . . . . 6715 1 108 . 1 1 25 25 ALA N N 15 122.8 . . . . . . . . . . . 6715 1 109 . 1 1 25 25 ALA CA C 13 55.6 . . . . . . . . . . . 6715 1 110 . 1 1 25 25 ALA HA H 1 4.0 . . . . . . . . . . . 6715 1 111 . 1 1 25 25 ALA C C 13 177.5 . . . . . . . . . . . 6715 1 112 . 1 1 26 26 ALA H H 1 8.6 . . . . . . . . . . . 6715 1 113 . 1 1 26 26 ALA N N 15 119.3 . . . . . . . . . . . 6715 1 114 . 1 1 26 26 ALA CA C 13 55.6 . . . . . . . . . . . 6715 1 115 . 1 1 26 26 ALA HA H 1 4.0 . . . . . . . . . . . 6715 1 116 . 1 1 26 26 ALA C C 13 178.7 . . . . . . . . . . . 6715 1 117 . 1 1 27 27 LEU H H 1 8.3 . . . . . . . . . . . 6715 1 118 . 1 1 27 27 LEU N N 15 117.8 . . . . . . . . . . . 6715 1 119 . 1 1 27 27 LEU CA C 13 58.3 . . . . . . . . . . . 6715 1 120 . 1 1 27 27 LEU HA H 1 4.1 . . . . . . . . . . . 6715 1 121 . 1 1 27 27 LEU C C 13 179.0 . . . . . . . . . . . 6715 1 122 . 1 1 28 28 GLY H H 1 8.8 . . . . . . . . . . . 6715 1 123 . 1 1 28 28 GLY N N 15 106.8 . . . . . . . . . . . 6715 1 124 . 1 1 28 28 GLY CA C 13 47.8 . . . . . . . . . . . 6715 1 125 . 1 1 28 28 GLY HA2 H 1 3.6 . . . . . . . . . . . 6715 1 126 . 1 1 28 28 GLY C C 13 179.3 . . . . . . . . . . . 6715 1 127 . 1 1 29 29 ALA H H 1 8.5 . . . . . . . . . . . 6715 1 128 . 1 1 29 29 ALA N N 15 123.8 . . . . . . . . . . . 6715 1 129 . 1 1 29 29 ALA CA C 13 55.8 . . . . . . . . . . . 6715 1 130 . 1 1 29 29 ALA HA H 1 4.1 . . . . . . . . . . . 6715 1 131 . 1 1 29 29 ALA C C 13 174.6 . . . . . . . . . . . 6715 1 132 . 1 1 30 30 LEU H H 1 8.2 . . . . . . . . . . . 6715 1 133 . 1 1 30 30 LEU N N 15 118.5 . . . . . . . . . . . 6715 1 134 . 1 1 30 30 LEU CA C 13 58.8 . . . . . . . . . . . 6715 1 135 . 1 1 30 30 LEU C C 13 179.3 . . . . . . . . . . . 6715 1 136 . 1 1 30 30 LEU HA H 1 4.1 . . . . . . . . . . . 6715 1 137 . 1 1 31 31 ILE H H 1 8.5 . . . . . . . . . . . 6715 1 138 . 1 1 31 31 ILE N N 15 120.2 . . . . . . . . . . . 6715 1 139 . 1 1 31 31 ILE CA C 13 66.3 . . . . . . . . . . . 6715 1 140 . 1 1 31 31 ILE HA H 1 3.7 . . . . . . . . . . . 6715 1 141 . 1 1 31 31 ILE C C 13 179.2 . . . . . . . . . . . 6715 1 142 . 1 1 32 32 LEU H H 1 8.6 . . . . . . . . . . . 6715 1 143 . 1 1 32 32 LEU N N 15 120.5 . . . . . . . . . . . 6715 1 144 . 1 1 32 32 LEU CA C 13 58.7 . . . . . . . . . . . 6715 1 145 . 1 1 32 32 LEU HA H 1 4.3 . . . . . . . . . . . 6715 1 146 . 1 1 32 32 LEU C C 13 178.0 . . . . . . . . . . . 6715 1 147 . 1 1 33 33 GLY H H 1 9.1 . . . . . . . . . . . 6715 1 148 . 1 1 33 33 GLY N N 15 108.8 . . . . . . . . . . . 6715 1 149 . 1 1 33 33 GLY CA C 13 48.2 . . . . . . . . . . . 6715 1 150 . 1 1 33 33 GLY HA2 H 1 3.9 . . . . . . . . . . . 6715 1 151 . 1 1 33 33 GLY C C 13 180.7 . . . . . . . . . . . 6715 1 152 . 1 1 34 34 CYS H H 1 8.6 . . . . . . . . . . . 6715 1 153 . 1 1 34 34 CYS N N 15 121.2 . . . . . . . . . . . 6715 1 154 . 1 1 34 34 CYS CA C 13 64.8 . . . . . . . . . . . 6715 1 155 . 1 1 34 34 CYS HA H 1 4.3 . . . . . . . . . . . 6715 1 156 . 1 1 34 34 CYS C C 13 175.2 . . . . . . . . . . . 6715 1 157 . 1 1 35 35 TRP H H 1 8.8 . . . . . . . . . . . 6715 1 158 . 1 1 35 35 TRP N N 15 121.4 . . . . . . . . . . . 6715 1 159 . 1 1 35 35 TRP CA C 13 61.9 . . . . . . . . . . . 6715 1 160 . 1 1 35 35 TRP C C 13 176.6 . . . . . . . . . . . 6715 1 161 . 1 1 35 35 TRP HA H 1 4.4 . . . . . . . . . . . 6715 1 162 . 1 1 36 36 CYS H H 1 8.9 . . . . . . . . . . . 6715 1 163 . 1 1 36 36 CYS N N 15 117.2 . . . . . . . . . . . 6715 1 164 . 1 1 36 36 CYS CA C 13 64.5 . . . . . . . . . . . 6715 1 165 . 1 1 36 36 CYS HA H 1 3.9 . . . . . . . . . . . 6715 1 166 . 1 1 36 36 CYS C C 13 178.0 . . . . . . . . . . . 6715 1 167 . 1 1 37 37 TYR H H 1 8.5 . . . . . . . . . . . 6715 1 168 . 1 1 37 37 TYR N N 15 120.4 . . . . . . . . . . . 6715 1 169 . 1 1 37 37 TYR CA C 13 62.5 . . . . . . . . . . . 6715 1 170 . 1 1 37 37 TYR HA H 1 4.1 . . . . . . . . . . . 6715 1 171 . 1 1 37 37 TYR C C 13 176.6 . . . . . . . . . . . 6715 1 172 . 1 1 38 38 LEU H H 1 8.5 . . . . . . . . . . . 6715 1 173 . 1 1 38 38 LEU N N 15 119.6 . . . . . . . . . . . 6715 1 174 . 1 1 38 38 LEU CA C 13 58.2 . . . . . . . . . . . 6715 1 175 . 1 1 38 38 LEU HA H 1 3.9 . . . . . . . . . . . 6715 1 176 . 1 1 38 38 LEU C C 13 177.5 . . . . . . . . . . . 6715 1 177 . 1 1 39 39 ARG H H 1 8.2 . . . . . . . . . . . 6715 1 178 . 1 1 39 39 ARG N N 15 119.6 . . . . . . . . . . . 6715 1 179 . 1 1 39 39 ARG CA C 13 58.9 . . . . . . . . . . . 6715 1 180 . 1 1 39 39 ARG HA H 1 4.5 . . . . . . . . . . . 6715 1 181 . 1 1 39 39 ARG C C 13 180.4 . . . . . . . . . . . 6715 1 182 . 1 1 40 40 LEU H H 1 8.0 . . . . . . . . . . . 6715 1 183 . 1 1 40 40 LEU N N 15 120.0 . . . . . . . . . . . 6715 1 184 . 1 1 40 40 LEU CA C 13 57.7 . . . . . . . . . . . 6715 1 185 . 1 1 40 40 LEU HA H 1 4.1 . . . . . . . . . . . 6715 1 186 . 1 1 40 40 LEU C C 13 178.6 . . . . . . . . . . . 6715 1 187 . 1 1 41 41 GLN H H 1 7.9 . . . . . . . . . . . 6715 1 188 . 1 1 41 41 GLN N N 15 118.2 . . . . . . . . . . . 6715 1 189 . 1 1 41 41 GLN CA C 13 57.9 . . . . . . . . . . . 6715 1 190 . 1 1 41 41 GLN HA H 1 4.5 . . . . . . . . . . . 6715 1 191 . 1 1 41 41 GLN C C 13 179.4 . . . . . . . . . . . 6715 1 192 . 1 1 42 42 ARG H H 1 7.8 . . . . . . . . . . . 6715 1 193 . 1 1 42 42 ARG N N 15 119.0 . . . . . . . . . . . 6715 1 194 . 1 1 42 42 ARG CA C 13 58.3 . . . . . . . . . . . 6715 1 195 . 1 1 42 42 ARG HA H 1 4.3 . . . . . . . . . . . 6715 1 196 . 1 1 42 42 ARG C C 13 177.1 . . . . . . . . . . . 6715 1 197 . 1 1 43 43 ILE H H 1 7.8 . . . . . . . . . . . 6715 1 198 . 1 1 43 43 ILE N N 15 119.5 . . . . . . . . . . . 6715 1 199 . 1 1 43 43 ILE CA C 13 63.5 . . . . . . . . . . . 6715 1 200 . 1 1 43 43 ILE HA H 1 4.1 . . . . . . . . . . . 6715 1 201 . 1 1 43 43 ILE C C 13 176.7 . . . . . . . . . . . 6715 1 202 . 1 1 44 44 SER H H 1 7.9 . . . . . . . . . . . 6715 1 203 . 1 1 44 44 SER N N 15 117.2 . . . . . . . . . . . 6715 1 204 . 1 1 44 44 SER CA C 13 60.1 . . . . . . . . . . . 6715 1 205 . 1 1 44 44 SER HA H 1 4.5 . . . . . . . . . . . 6715 1 206 . 1 1 44 44 SER C C 13 177.6 . . . . . . . . . . . 6715 1 207 . 1 1 45 45 GLN H H 1 7.9 . . . . . . . . . . . 6715 1 208 . 1 1 45 45 GLN N N 15 121.1 . . . . . . . . . . . 6715 1 209 . 1 1 45 45 GLN CA C 13 57.0 . . . . . . . . . . . 6715 1 210 . 1 1 45 45 GLN HA H 1 4.5 . . . . . . . . . . . 6715 1 211 . 1 1 45 45 GLN C C 13 175.6 . . . . . . . . . . . 6715 1 212 . 1 1 46 46 SER H H 1 7.9 . . . . . . . . . . . 6715 1 213 . 1 1 46 46 SER N N 15 116.0 . . . . . . . . . . . 6715 1 214 . 1 1 46 46 SER CA C 13 59.4 . . . . . . . . . . . 6715 1 215 . 1 1 46 46 SER HA H 1 4.5 . . . . . . . . . . . 6715 1 216 . 1 1 46 46 SER C C 13 176.8 . . . . . . . . . . . 6715 1 217 . 1 1 47 47 GLU H H 1 8.0 . . . . . . . . . . . 6715 1 218 . 1 1 47 47 GLU N N 15 121.8 . . . . . . . . . . . 6715 1 219 . 1 1 47 47 GLU CA C 13 56.6 . . . . . . . . . . . 6715 1 220 . 1 1 47 47 GLU HA H 1 4.5 . . . . . . . . . . . 6715 1 221 . 1 1 48 48 ASP H H 1 8.1 . . . . . . . . . . . 6715 1 222 . 1 1 48 48 ASP N N 15 120.8 . . . . . . . . . . . 6715 1 223 . 1 1 48 48 ASP CA C 13 53.7 . . . . . . . . . . . 6715 1 224 . 1 1 48 48 ASP HA H 1 4.8 . . . . . . . . . . . 6715 1 225 . 1 1 48 48 ASP C C 13 175.3 . . . . . . . . . . . 6715 1 226 . 1 1 49 49 GLU H H 1 8.1 . . . . . . . . . . . 6715 1 227 . 1 1 49 49 GLU N N 15 120.9 . . . . . . . . . . . 6715 1 228 . 1 1 49 49 GLU CA C 13 56.5 . . . . . . . . . . . 6715 1 229 . 1 1 49 49 GLU HA H 1 4.5 . . . . . . . . . . . 6715 1 230 . 1 1 49 49 GLU C C 13 176.0 . . . . . . . . . . . 6715 1 231 . 1 1 50 50 GLU H H 1 8.2 . . . . . . . . . . . 6715 1 232 . 1 1 50 50 GLU N N 15 119.7 . . . . . . . . . . . 6715 1 233 . 1 1 50 50 GLU CA C 13 56.6 . . . . . . . . . . . 6715 1 234 . 1 1 50 50 GLU HA H 1 4.5 . . . . . . . . . . . 6715 1 235 . 1 1 50 50 GLU C C 13 176.1 . . . . . . . . . . . 6715 1 236 . 1 1 51 51 SER H H 1 8.0 . . . . . . . . . . . 6715 1 237 . 1 1 51 51 SER N N 15 116.6 . . . . . . . . . . . 6715 1 238 . 1 1 51 51 SER CA C 13 58.6 . . . . . . . . . . . 6715 1 239 . 1 1 51 51 SER HA H 1 4.6 . . . . . . . . . . . 6715 1 240 . 1 1 51 51 SER C C 13 175.9 . . . . . . . . . . . 6715 1 241 . 1 1 52 52 ILE H H 1 8.0 . . . . . . . . . . . 6715 1 242 . 1 1 52 52 ILE N N 15 122.3 . . . . . . . . . . . 6715 1 243 . 1 1 52 52 ILE CA C 13 62.6 . . . . . . . . . . . 6715 1 244 . 1 1 52 52 ILE HA H 1 4.3 . . . . . . . . . . . 6715 1 245 . 1 1 52 52 ILE C C 13 174.7 . . . . . . . . . . . 6715 1 246 . 1 1 53 53 VAL H H 1 7.7 . . . . . . . . . . . 6715 1 247 . 1 1 53 53 VAL N N 15 120.4 . . . . . . . . . . . 6715 1 248 . 1 1 53 53 VAL CA C 13 62.7 . . . . . . . . . . . 6715 1 249 . 1 1 53 53 VAL HA H 1 4.3 . . . . . . . . . . . 6715 1 250 . 1 1 53 53 VAL C C 13 176.1 . . . . . . . . . . . 6715 1 251 . 1 1 54 54 GLY H H 1 8.1 . . . . . . . . . . . 6715 1 252 . 1 1 54 54 GLY N N 15 111.7 . . . . . . . . . . . 6715 1 253 . 1 1 54 54 GLY CA C 13 45.7 . . . . . . . . . . . 6715 1 254 . 1 1 54 54 GLY HA2 H 1 4.1 . . . . . . . . . . . 6715 1 255 . 1 1 54 54 GLY C C 13 176.6 . . . . . . . . . . . 6715 1 256 . 1 1 55 55 ASP H H 1 8.1 . . . . . . . . . . . 6715 1 257 . 1 1 55 55 ASP N N 15 119.8 . . . . . . . . . . . 6715 1 258 . 1 1 55 55 ASP CA C 13 53.7 . . . . . . . . . . . 6715 1 259 . 1 1 55 55 ASP HA H 1 4.8 . . . . . . . . . . . 6715 1 260 . 1 1 55 55 ASP C C 13 174.4 . . . . . . . . . . . 6715 1 261 . 1 1 56 56 GLY H H 1 8.3 . . . . . . . . . . . 6715 1 262 . 1 1 56 56 GLY N N 15 109.6 . . . . . . . . . . . 6715 1 263 . 1 1 56 56 GLY CA C 13 46.3 . . . . . . . . . . . 6715 1 264 . 1 1 56 56 GLY C C 13 176.1 . . . . . . . . . . . 6715 1 265 . 1 1 56 56 GLY HA2 H 1 4.1 . . . . . . . . . . . 6715 1 266 . 1 1 57 57 GLU H H 1 8.0 . . . . . . . . . . . 6715 1 267 . 1 1 57 57 GLU N N 15 119.9 . . . . . . . . . . . 6715 1 268 . 1 1 57 57 GLU CA C 13 56.5 . . . . . . . . . . . 6715 1 269 . 1 1 57 57 GLU HA H 1 4.5 . . . . . . . . . . . 6715 1 270 . 1 1 57 57 GLU C C 13 174.4 . . . . . . . . . . . 6715 1 271 . 1 1 58 58 THR H H 1 8.0 . . . . . . . . . . . 6715 1 272 . 1 1 58 58 THR N N 15 115.2 . . . . . . . . . . . 6715 1 273 . 1 1 58 58 THR CA C 13 62.4 . . . . . . . . . . . 6715 1 274 . 1 1 58 58 THR C C 13 176.2 . . . . . . . . . . . 6715 1 275 . 1 1 58 58 THR HA H 1 4.5 . . . . . . . . . . . 6715 1 276 . 1 1 59 59 LYS H H 1 8.0 . . . . . . . . . . . 6715 1 277 . 1 1 59 59 LYS N N 15 123.5 . . . . . . . . . . . 6715 1 278 . 1 1 59 59 LYS CA C 13 56.6 . . . . . . . . . . . 6715 1 279 . 1 1 59 59 LYS HA H 1 4.4 . . . . . . . . . . . 6715 1 280 . 1 1 59 59 LYS C C 13 174.3 . . . . . . . . . . . 6715 1 281 . 1 1 60 60 GLU H H 1 8.0 . . . . . . . . . . . 6715 1 282 . 1 1 60 60 GLU N N 15 121.3 . . . . . . . . . . . 6715 1 283 . 1 1 60 60 GLU CA C 13 54.7 . . . . . . . . . . . 6715 1 284 . 1 1 60 60 GLU HA H 1 4.7 . . . . . . . . . . . 6715 1 285 . 1 1 60 60 GLU C C 13 175.0 . . . . . . . . . . . 6715 1 286 . 1 1 61 61 PRO HA H 1 4.3 . . . . . . . . . . . 6715 1 287 . 1 1 61 61 PRO CA C 13 64.3 . . . . . . . . . . . 6715 1 288 . 1 1 62 62 PHE H H 1 7.9 . . . . . . . . . . . 6715 1 289 . 1 1 62 62 PHE N N 15 119.6 . . . . . . . . . . . 6715 1 290 . 1 1 62 62 PHE CA C 13 59.6 . . . . . . . . . . . 6715 1 291 . 1 1 62 62 PHE HA H 1 4.5 . . . . . . . . . . . 6715 1 292 . 1 1 62 62 PHE C C 13 176.8 . . . . . . . . . . . 6715 1 293 . 1 1 63 63 LEU N N 15 120.4 . . . . . . . . . . . 6715 1 294 . 1 1 63 63 LEU CA C 13 57.2 . . . . . . . . . . . 6715 1 295 . 1 1 63 63 LEU HA H 1 4.3 . . . . . . . . . . . 6715 1 296 . 1 1 63 63 LEU C C 13 176.5 . . . . . . . . . . . 6715 1 297 . 1 1 64 64 LEU H H 1 7.6 . . . . . . . . . . . 6715 1 298 . 1 1 64 64 LEU N N 15 118.5 . . . . . . . . . . . 6715 1 299 . 1 1 64 64 LEU CA C 13 57.1 . . . . . . . . . . . 6715 1 300 . 1 1 64 64 LEU HA H 1 4.3 . . . . . . . . . . . 6715 1 301 . 1 1 64 64 LEU C C 13 177.8 . . . . . . . . . . . 6715 1 302 . 1 1 65 65 VAL H H 1 7.5 . . . . . . . . . . . 6715 1 303 . 1 1 65 65 VAL N N 15 117.8 . . . . . . . . . . . 6715 1 304 . 1 1 65 65 VAL CA C 13 64.5 . . . . . . . . . . . 6715 1 305 . 1 1 65 65 VAL HA H 1 4.0 . . . . . . . . . . . 6715 1 306 . 1 1 65 65 VAL C C 13 178.2 . . . . . . . . . . . 6715 1 307 . 1 1 66 66 GLN H H 1 7.9 . . . . . . . . . . . 6715 1 308 . 1 1 66 66 GLN N N 15 120.1 . . . . . . . . . . . 6715 1 309 . 1 1 66 66 GLN CA C 13 57.4 . . . . . . . . . . . 6715 1 310 . 1 1 66 66 GLN HA H 1 4.3 . . . . . . . . . . . 6715 1 311 . 1 1 66 66 GLN C C 13 177.1 . . . . . . . . . . . 6715 1 312 . 1 1 67 67 TYR H H 1 7.8 . . . . . . . . . . . 6715 1 313 . 1 1 67 67 TYR N N 15 119.9 . . . . . . . . . . . 6715 1 314 . 1 1 67 67 TYR CA C 13 59.5 . . . . . . . . . . . 6715 1 315 . 1 1 67 67 TYR HA H 1 4.5 . . . . . . . . . . . 6715 1 316 . 1 1 67 67 TYR C C 13 178.4 . . . . . . . . . . . 6715 1 317 . 1 1 68 68 SER H H 1 7.8 . . . . . . . . . . . 6715 1 318 . 1 1 68 68 SER N N 15 115.8 . . . . . . . . . . . 6715 1 319 . 1 1 68 68 SER CA C 13 59.5 . . . . . . . . . . . 6715 1 320 . 1 1 68 68 SER HA H 1 4.5 . . . . . . . . . . . 6715 1 321 . 1 1 68 68 SER C C 13 176.2 . . . . . . . . . . . 6715 1 322 . 1 1 69 69 ALA H H 1 7.8 . . . . . . . . . . . 6715 1 323 . 1 1 69 69 ALA N N 15 125.0 . . . . . . . . . . . 6715 1 324 . 1 1 69 69 ALA CA C 13 53.3 . . . . . . . . . . . 6715 1 325 . 1 1 69 69 ALA HA H 1 4.4 . . . . . . . . . . . 6715 1 326 . 1 1 69 69 ALA C C 13 174.6 . . . . . . . . . . . 6715 1 327 . 1 1 70 70 LYS H H 1 7.8 . . . . . . . . . . . 6715 1 328 . 1 1 70 70 LYS N N 15 118.5 . . . . . . . . . . . 6715 1 329 . 1 1 70 70 LYS CA C 13 56.6 . . . . . . . . . . . 6715 1 330 . 1 1 70 70 LYS HA H 1 4.4 . . . . . . . . . . . 6715 1 331 . 1 1 70 70 LYS C C 13 177.7 . . . . . . . . . . . 6715 1 332 . 1 1 71 71 GLY H H 1 7.9 . . . . . . . . . . . 6715 1 333 . 1 1 71 71 GLY N N 15 108.7 . . . . . . . . . . . 6715 1 334 . 1 1 71 71 GLY CA C 13 45.6 . . . . . . . . . . . 6715 1 335 . 1 1 71 71 GLY HA2 H 1 4.1 . . . . . . . . . . . 6715 1 336 . 1 1 71 71 GLY C C 13 176.7 . . . . . . . . . . . 6715 1 337 . 1 1 72 72 PRO CA C 13 64.0 . . . . . . . . . . . 6715 1 338 . 1 1 73 73 CYS H H 1 8.1 . . . . . . . . . . . 6715 1 339 . 1 1 73 73 CYS N N 15 118.5 . . . . . . . . . . . 6715 1 340 . 1 1 73 73 CYS CA C 13 59.9 . . . . . . . . . . . 6715 1 341 . 1 1 73 73 CYS C C 13 177.0 . . . . . . . . . . . 6715 1 342 . 1 1 73 73 CYS HA H 1 4.5 . . . . . . . . . . . 6715 1 343 . 1 1 74 74 VAL N N 15 120.5 . . . . . . . . . . . 6715 1 344 . 1 1 74 74 VAL CA C 13 63.8 . . . . . . . . . . . 6715 1 345 . 1 1 74 74 VAL HA H 1 4.2 . . . . . . . . . . . 6715 1 346 . 1 1 74 74 VAL C C 13 175.1 . . . . . . . . . . . 6715 1 347 . 1 1 75 75 GLU H H 1 8.1 . . . . . . . . . . . 6715 1 348 . 1 1 75 75 GLU N N 15 121.9 . . . . . . . . . . . 6715 1 349 . 1 1 75 75 GLU CA C 13 57.0 . . . . . . . . . . . 6715 1 350 . 1 1 75 75 GLU HA H 1 4.4 . . . . . . . . . . . 6715 1 351 . 1 1 75 75 GLU C C 13 176.2 . . . . . . . . . . . 6715 1 352 . 1 1 76 76 ARG H H 1 7.9 . . . . . . . . . . . 6715 1 353 . 1 1 76 76 ARG N N 15 120.7 . . . . . . . . . . . 6715 1 354 . 1 1 76 76 ARG CA C 13 57.4 . . . . . . . . . . . 6715 1 355 . 1 1 76 76 ARG HA H 1 4.4 . . . . . . . . . . . 6715 1 356 . 1 1 76 76 ARG C C 13 176.3 . . . . . . . . . . . 6715 1 357 . 1 1 77 77 LYS H H 1 7.9 . . . . . . . . . . . 6715 1 358 . 1 1 77 77 LYS N N 15 120.6 . . . . . . . . . . . 6715 1 359 . 1 1 77 77 LYS CA C 13 57.6 . . . . . . . . . . . 6715 1 360 . 1 1 77 77 LYS HA H 1 4.3 . . . . . . . . . . . 6715 1 361 . 1 1 77 77 LYS C C 13 176.7 . . . . . . . . . . . 6715 1 362 . 1 1 78 78 ALA H H 1 7.9 . . . . . . . . . . . 6715 1 363 . 1 1 78 78 ALA N N 15 122.6 . . . . . . . . . . . 6715 1 364 . 1 1 78 78 ALA CA C 13 53.6 . . . . . . . . . . . 6715 1 365 . 1 1 78 78 ALA HA H 1 4.3 . . . . . . . . . . . 6715 1 366 . 1 1 78 78 ALA C C 13 176.7 . . . . . . . . . . . 6715 1 367 . 1 1 79 79 LYS H H 1 7.8 . . . . . . . . . . . 6715 1 368 . 1 1 79 79 LYS N N 15 118.5 . . . . . . . . . . . 6715 1 369 . 1 1 79 79 LYS CA C 13 57.2 . . . . . . . . . . . 6715 1 370 . 1 1 79 79 LYS HA H 1 4.3 . . . . . . . . . . . 6715 1 371 . 1 1 79 79 LYS C C 13 177.7 . . . . . . . . . . . 6715 1 372 . 1 1 80 80 LEU H H 1 7.8 . . . . . . . . . . . 6715 1 373 . 1 1 80 80 LEU N N 15 120.5 . . . . . . . . . . . 6715 1 374 . 1 1 80 80 LEU CA C 13 56.2 . . . . . . . . . . . 6715 1 375 . 1 1 80 80 LEU HA H 1 4.3 . . . . . . . . . . . 6715 1 376 . 1 1 80 80 LEU C C 13 176.8 . . . . . . . . . . . 6715 1 377 . 1 1 81 81 MET H H 1 7.7 . . . . . . . . . . . 6715 1 378 . 1 1 81 81 MET N N 15 118.1 . . . . . . . . . . . 6715 1 379 . 1 1 81 81 MET CA C 13 55.6 . . . . . . . . . . . 6715 1 380 . 1 1 81 81 MET HA H 1 4.6 . . . . . . . . . . . 6715 1 381 . 1 1 81 81 MET C C 13 176.9 . . . . . . . . . . . 6715 1 382 . 1 1 82 82 THR H H 1 7.7 . . . . . . . . . . . 6715 1 383 . 1 1 82 82 THR N N 15 114.5 . . . . . . . . . . . 6715 1 384 . 1 1 82 82 THR CA C 13 59.8 . . . . . . . . . . . 6715 1 385 . 1 1 82 82 THR HA H 1 4.6 . . . . . . . . . . . 6715 1 386 . 1 1 82 82 THR C C 13 175.4 . . . . . . . . . . . 6715 1 387 . 1 1 83 83 PRO HA H 1 4.5 . . . . . . . . . . . 6715 1 388 . 1 1 83 83 PRO CA C 13 64.1 . . . . . . . . . . . 6715 1 389 . 1 1 84 84 ASN H H 1 8.1 . . . . . . . . . . . 6715 1 390 . 1 1 84 84 ASN N N 15 117.5 . . . . . . . . . . . 6715 1 391 . 1 1 84 84 ASN CA C 13 53.4 . . . . . . . . . . . 6715 1 392 . 1 1 84 84 ASN HA H 1 4.9 . . . . . . . . . . . 6715 1 393 . 1 1 84 84 ASN C C 13 176.6 . . . . . . . . . . . 6715 1 394 . 1 1 85 85 GLY N N 15 109.0 . . . . . . . . . . . 6715 1 395 . 1 1 85 85 GLY CA C 13 45.3 . . . . . . . . . . . 6715 1 396 . 1 1 85 85 GLY HA2 H 1 4.2 . . . . . . . . . . . 6715 1 397 . 1 1 85 85 GLY C C 13 175.2 . . . . . . . . . . . 6715 1 398 . 1 1 86 86 PRO HA H 1 4.5 . . . . . . . . . . . 6715 1 399 . 1 1 86 86 PRO CA C 13 63.7 . . . . . . . . . . . 6715 1 400 . 1 1 87 87 GLU H H 1 8.2 . . . . . . . . . . . 6715 1 401 . 1 1 87 87 GLU N N 15 119.9 . . . . . . . . . . . 6715 1 402 . 1 1 87 87 GLU CA C 13 56.1 . . . . . . . . . . . 6715 1 403 . 1 1 87 87 GLU C C 13 176.8 . . . . . . . . . . . 6715 1 404 . 1 1 87 87 GLU HA H 1 4.6 . . . . . . . . . . . 6715 1 405 . 1 1 88 88 VAL N N 15 119.7 . . . . . . . . . . . 6715 1 406 . 1 1 88 88 VAL CA C 13 62.8 . . . . . . . . . . . 6715 1 407 . 1 1 88 88 VAL HA H 1 4.2 . . . . . . . . . . . 6715 1 408 . 1 1 88 88 VAL C C 13 175.8 . . . . . . . . . . . 6715 1 409 . 1 1 89 89 HIS H H 1 8.1 . . . . . . . . . . . 6715 1 410 . 1 1 89 89 HIS N N 15 120.4 . . . . . . . . . . . 6715 1 411 . 1 1 89 89 HIS CA C 13 55.3 . . . . . . . . . . . 6715 1 412 . 1 1 89 89 HIS HA H 1 4.8 . . . . . . . . . . . 6715 1 413 . 1 1 89 89 HIS C C 13 175.5 . . . . . . . . . . . 6715 1 414 . 1 1 90 90 GLY H H 1 7.9 . . . . . . . . . . . 6715 1 415 . 1 1 90 90 GLY N N 15 114.2 . . . . . . . . . . . 6715 1 416 . 1 1 90 90 GLY CA C 13 44.7 . . . . . . . . . . . 6715 1 417 . 1 1 90 90 GLY HA2 H 1 4.1 . . . . . . . . . . . 6715 1 418 . 1 1 90 90 GLY C C 13 174.2 . . . . . . . . . . . 6715 1 stop_ save_