data_16621 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16621 _Entry.Title ; 1H, 13C, and 15N chemical shift assignment of KCNE3 in isotropic bicelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-02 _Entry.Accession_date 2009-12-02 _Entry.Last_release_date 2010-02-11 _Entry.Original_release_date 2010-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Congbao Kang . . . 16621 2 Carlos Vanoye . G. . 16621 3 Richard Welch . C. . 16621 4 Charles Sanders . R. . 16621 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16621 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 16621 '15N chemical shifts' 96 16621 '1H chemical shifts' 95 16621 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 . . 2010-02-11 2009-12-02 original author . 16621 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M9Z 'BMRB Entry Tracking System' 16621 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16621 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20044833 _Citation.Full_citation . _Citation.Title 'Functional delivery of a membrane protein into oocyte membranes using bicelles.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 653 _Citation.Page_last 655 _Citation.Year 2010 _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 Congbao Kang . . . 16621 1 2 Carlos Vanoye . G. . 16621 1 3 Richard Welch . C. . 16621 1 4 Wade 'Van Horn' . D. . 16621 1 5 Charles Sanders . R. . 16621 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID KCNE3 16621 1 'membrane protein' 16621 1 NMR 16621 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16621 _Assembly.ID 1 _Assembly.Name KCNE3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KCNE3 1 $KCNE3 A . yes native no no . . . 16621 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KCNE3 _Entity.Sf_category entity _Entity.Sf_framecode KCNE3 _Entity.Entry_ID 16621 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KCNE3 _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 ; MGHHHHHHGMETTNGTETWY ESLHAVLKALNATLHSNLLC RPGPGLGPDNQTERRASLPG RDDNSYMYILFVMFLFAVTV GSLILGYTRSRKVDKRSDPY HVYIKNRVSMI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -8,M -7,G -6,H -5,H -4,H -3,H -2,H -1,H 0,G 1,M ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 'human membrane protein KCNE3, MinK related protein 2' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB NM_005472 . KCNE3 . . . . . . . . . . . . . . 16621 1 2 no BMRB 16602 . KCNE3 . . . . . 100.90 112 99.11 99.11 3.35e-74 . . . . 16621 1 3 no DBJ BAG34817 . "unnamed protein product [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 4 no EMBL CAG33490 . "KCNE3 [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 5 no EMBL CAI56768 . "hypothetical protein [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 6 no GB AAD28089 . "minK-related peptide 2 [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 7 no GB AAG16255 . "voltage-gated K+ channel subunit MIRP2 [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 8 no GB AAI10613 . "Potassium voltage-gated channel, Isk-related family, member 3 [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 9 no GB AAI13744 . "KCNE3 protein [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 10 no GB ABB00304 . "cardiac voltage-gated potassium channel accessory subunit isoform 3a [Homo sapiens]" . . . . . 89.19 99 98.99 98.99 6.32e-64 . . . . 16621 1 11 no REF NP_005463 . "potassium voltage-gated channel subfamily E member 3 [Homo sapiens]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 12 no REF XP_001115704 . "PREDICTED: potassium voltage-gated channel subfamily E member 3-like [Macaca mulatta]" . . . . . 93.69 144 97.12 97.12 6.15e-66 . . . . 16621 1 13 no REF XP_001174917 . "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pan troglodytes]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 14 no REF XP_002822287 . "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pongo abelii]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 15 no REF XP_003777893 . "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pongo abelii]" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 16 no SP Q9Y6H6 . "RecName: Full=Potassium voltage-gated channel subfamily E member 3; AltName: Full=MinK-related peptide 2; AltName: Full=Minimum" . . . . . 92.79 103 99.03 99.03 7.03e-67 . . . . 16621 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulator of voltage-gated potassium channel KCNQ1' 16621 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 -8 MET . 16621 1 2 -7 GLY . 16621 1 3 -6 HIS . 16621 1 4 -5 HIS . 16621 1 5 -4 HIS . 16621 1 6 -3 HIS . 16621 1 7 -2 HIS . 16621 1 8 -1 HIS . 16621 1 9 0 GLY . 16621 1 10 1 MET . 16621 1 11 2 GLU . 16621 1 12 3 THR . 16621 1 13 4 THR . 16621 1 14 5 ASN . 16621 1 15 6 GLY . 16621 1 16 7 THR . 16621 1 17 8 GLU . 16621 1 18 9 THR . 16621 1 19 10 TRP . 16621 1 20 11 TYR . 16621 1 21 12 GLU . 16621 1 22 13 SER . 16621 1 23 14 LEU . 16621 1 24 15 HIS . 16621 1 25 16 ALA . 16621 1 26 17 VAL . 16621 1 27 18 LEU . 16621 1 28 19 LYS . 16621 1 29 20 ALA . 16621 1 30 21 LEU . 16621 1 31 22 ASN . 16621 1 32 23 ALA . 16621 1 33 24 THR . 16621 1 34 25 LEU . 16621 1 35 26 HIS . 16621 1 36 27 SER . 16621 1 37 28 ASN . 16621 1 38 29 LEU . 16621 1 39 30 LEU . 16621 1 40 31 CYS . 16621 1 41 32 ARG . 16621 1 42 33 PRO . 16621 1 43 34 GLY . 16621 1 44 35 PRO . 16621 1 45 36 GLY . 16621 1 46 37 LEU . 16621 1 47 38 GLY . 16621 1 48 39 PRO . 16621 1 49 40 ASP . 16621 1 50 41 ASN . 16621 1 51 42 GLN . 16621 1 52 43 THR . 16621 1 53 44 GLU . 16621 1 54 45 ARG . 16621 1 55 46 ARG . 16621 1 56 47 ALA . 16621 1 57 48 SER . 16621 1 58 49 LEU . 16621 1 59 50 PRO . 16621 1 60 51 GLY . 16621 1 61 52 ARG . 16621 1 62 53 ASP . 16621 1 63 54 ASP . 16621 1 64 55 ASN . 16621 1 65 56 SER . 16621 1 66 57 TYR . 16621 1 67 58 MET . 16621 1 68 59 TYR . 16621 1 69 60 ILE . 16621 1 70 61 LEU . 16621 1 71 62 PHE . 16621 1 72 63 VAL . 16621 1 73 64 MET . 16621 1 74 65 PHE . 16621 1 75 66 LEU . 16621 1 76 67 PHE . 16621 1 77 68 ALA . 16621 1 78 69 VAL . 16621 1 79 70 THR . 16621 1 80 71 VAL . 16621 1 81 72 GLY . 16621 1 82 73 SER . 16621 1 83 74 LEU . 16621 1 84 75 ILE . 16621 1 85 76 LEU . 16621 1 86 77 GLY . 16621 1 87 78 TYR . 16621 1 88 79 THR . 16621 1 89 80 ARG . 16621 1 90 81 SER . 16621 1 91 82 ARG . 16621 1 92 83 LYS . 16621 1 93 84 VAL . 16621 1 94 85 ASP . 16621 1 95 86 LYS . 16621 1 96 87 ARG . 16621 1 97 88 SER . 16621 1 98 89 ASP . 16621 1 99 90 PRO . 16621 1 100 91 TYR . 16621 1 101 92 HIS . 16621 1 102 93 VAL . 16621 1 103 94 TYR . 16621 1 104 95 ILE . 16621 1 105 96 LYS . 16621 1 106 97 ASN . 16621 1 107 98 ARG . 16621 1 108 99 VAL . 16621 1 109 100 SER . 16621 1 110 101 MET . 16621 1 111 102 ILE . 16621 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16621 1 . GLY 2 2 16621 1 . HIS 3 3 16621 1 . HIS 4 4 16621 1 . HIS 5 5 16621 1 . HIS 6 6 16621 1 . HIS 7 7 16621 1 . HIS 8 8 16621 1 . GLY 9 9 16621 1 . MET 10 10 16621 1 . GLU 11 11 16621 1 . THR 12 12 16621 1 . THR 13 13 16621 1 . ASN 14 14 16621 1 . GLY 15 15 16621 1 . THR 16 16 16621 1 . GLU 17 17 16621 1 . THR 18 18 16621 1 . TRP 19 19 16621 1 . TYR 20 20 16621 1 . GLU 21 21 16621 1 . SER 22 22 16621 1 . LEU 23 23 16621 1 . HIS 24 24 16621 1 . ALA 25 25 16621 1 . VAL 26 26 16621 1 . LEU 27 27 16621 1 . LYS 28 28 16621 1 . ALA 29 29 16621 1 . LEU 30 30 16621 1 . ASN 31 31 16621 1 . ALA 32 32 16621 1 . THR 33 33 16621 1 . LEU 34 34 16621 1 . HIS 35 35 16621 1 . SER 36 36 16621 1 . ASN 37 37 16621 1 . LEU 38 38 16621 1 . LEU 39 39 16621 1 . CYS 40 40 16621 1 . ARG 41 41 16621 1 . PRO 42 42 16621 1 . GLY 43 43 16621 1 . PRO 44 44 16621 1 . GLY 45 45 16621 1 . LEU 46 46 16621 1 . GLY 47 47 16621 1 . PRO 48 48 16621 1 . ASP 49 49 16621 1 . ASN 50 50 16621 1 . GLN 51 51 16621 1 . THR 52 52 16621 1 . GLU 53 53 16621 1 . ARG 54 54 16621 1 . ARG 55 55 16621 1 . ALA 56 56 16621 1 . SER 57 57 16621 1 . LEU 58 58 16621 1 . PRO 59 59 16621 1 . GLY 60 60 16621 1 . ARG 61 61 16621 1 . ASP 62 62 16621 1 . ASP 63 63 16621 1 . ASN 64 64 16621 1 . SER 65 65 16621 1 . TYR 66 66 16621 1 . MET 67 67 16621 1 . TYR 68 68 16621 1 . ILE 69 69 16621 1 . LEU 70 70 16621 1 . PHE 71 71 16621 1 . VAL 72 72 16621 1 . MET 73 73 16621 1 . PHE 74 74 16621 1 . LEU 75 75 16621 1 . PHE 76 76 16621 1 . ALA 77 77 16621 1 . VAL 78 78 16621 1 . THR 79 79 16621 1 . VAL 80 80 16621 1 . GLY 81 81 16621 1 . SER 82 82 16621 1 . LEU 83 83 16621 1 . ILE 84 84 16621 1 . LEU 85 85 16621 1 . GLY 86 86 16621 1 . TYR 87 87 16621 1 . THR 88 88 16621 1 . ARG 89 89 16621 1 . SER 90 90 16621 1 . ARG 91 91 16621 1 . LYS 92 92 16621 1 . VAL 93 93 16621 1 . ASP 94 94 16621 1 . LYS 95 95 16621 1 . ARG 96 96 16621 1 . SER 97 97 16621 1 . ASP 98 98 16621 1 . PRO 99 99 16621 1 . TYR 100 100 16621 1 . HIS 101 101 16621 1 . VAL 102 102 16621 1 . TYR 103 103 16621 1 . ILE 104 104 16621 1 . LYS 105 105 16621 1 . ASN 106 106 16621 1 . ARG 107 107 16621 1 . VAL 108 108 16621 1 . SER 109 109 16621 1 . MET 110 110 16621 1 . ILE 111 111 16621 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 16621 _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 $KCNE3 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . KCNE3 . . . . 16621 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 16621 _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 $KCNE3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) condon plus RP' . . . . . . . . . . . . . . . pET16b . . . . . . 16621 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_KCNE3_in_bicelles _Sample.Sf_category sample _Sample.Sf_framecode KCNE3_in_bicelles _Sample.Entry_ID 16621 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'KCNE3 in bicelles solution containing 250 mM imidazole, 20% DHPC:DMPG (3:1), 2 mM EDTA, 2 mM DTT, pH 6.5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KCNE3 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $KCNE3 . . 0.8 . . mM . . . . 16621 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16621 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 16621 1 4 bicelles 'natural abundance' . . . . . . 20 . . % . . . . 16621 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16621 1 6 imidazole 'natural abundance' . . . . . . 250 . . mM . . . . 16621 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16621 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16621 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'KCNE3 in bicelles, pH 6.5, data acquired at 313K.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.250 . M 16621 1 pH 6.5 . pH 16621 1 pressure 1 . atm 16621 1 temperature 313 . K 16621 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16621 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16621 1 'Johnson, One Moon Scientific' . . 16621 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16621 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16621 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16621 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16621 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 16621 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 2 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 3 '3D TROSY-CBCA(CO)NH' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 4 '3D TROSY-HNCA' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 6 '3D HNCO' no . . . . . . . . . . 1 $KCNE3_in_bicelles isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16621 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16621 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $citations . . 1 $citations 16621 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $citations . . 1 $citations 16621 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $citations . . 1 $citations 16621 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16621 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16621 1 2 '3D TROSY-HNCACB' . . . 16621 1 4 '3D TROSY-HNCA' . . . 16621 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 10 10 MET C C 13 174.378 . . 1 . . . . 1 M C . 16621 1 2 . 1 1 10 10 MET CA C 13 55.119 . . 1 . . . . 1 M CA . 16621 1 3 . 1 1 10 10 MET CB C 13 32.172 . . 1 . . . . 1 M CB . 16621 1 4 . 1 1 10 10 MET N N 15 120.137 . . 1 . . . . 1 M N . 16621 1 5 . 1 1 11 11 GLU H H 1 8.380 . . 1 . . . . 2 E HN . 16621 1 6 . 1 1 11 11 GLU C C 13 174.571 . . 1 . . . . 2 E C . 16621 1 7 . 1 1 11 11 GLU CA C 13 56.366 . . 1 . . . . 2 E CA . 16621 1 8 . 1 1 11 11 GLU CB C 13 29.234 . . 1 . . . . 2 E CB . 16621 1 9 . 1 1 11 11 GLU N N 15 122.175 . . 1 . . . . 2 E N . 16621 1 10 . 1 1 12 12 THR H H 1 7.995 . . 1 . . . . 3 T HN . 16621 1 11 . 1 1 12 12 THR C C 13 170.755 . . 1 . . . . 3 T C . 16621 1 12 . 1 1 12 12 THR CA C 13 61.171 . . 1 . . . . 3 T CA . 16621 1 13 . 1 1 12 12 THR CB C 13 69.368 . . 1 . . . . 3 T CB . 16621 1 14 . 1 1 12 12 THR N N 15 114.821 . . 1 . . . . 3 T N . 16621 1 15 . 1 1 13 13 THR H H 1 7.967 . . 1 . . . . 4 T HN . 16621 1 16 . 1 1 13 13 THR C C 13 168.503 . . 1 . . . . 4 T C . 16621 1 17 . 1 1 13 13 THR CA C 13 61.278 . . 1 . . . . 4 T CA . 16621 1 18 . 1 1 13 13 THR CB C 13 69.315 . . 1 . . . . 4 T CB . 16621 1 19 . 1 1 13 13 THR N N 15 115.823 . . 1 . . . . 4 T N . 16621 1 20 . 1 1 14 14 ASN H H 1 7.888 . . 1 . . . . 5 N HN . 16621 1 21 . 1 1 14 14 ASN C C 13 172.703 . . 1 . . . . 5 N C . 16621 1 22 . 1 1 14 14 ASN CA C 13 54.533 . . 1 . . . . 5 N CA . 16621 1 23 . 1 1 14 14 ASN CB C 13 40.476 . . 1 . . . . 5 N CB . 16621 1 24 . 1 1 14 14 ASN N N 15 126.247 . . 1 . . . . 5 N N . 16621 1 25 . 1 1 15 15 GLY H H 1 8.276 . . 1 . . . . 6 G HN . 16621 1 26 . 1 1 15 15 GLY C C 13 170.329 . . 1 . . . . 6 G C . 16621 1 27 . 1 1 15 15 GLY CA C 13 45.256 . . 1 . . . . 6 G CA . 16621 1 28 . 1 1 15 15 GLY N N 15 109.721 . . 1 . . . . 6 G N . 16621 1 29 . 1 1 16 16 THR H H 1 7.858 . . 1 . . . . 7 T HN . 16621 1 30 . 1 1 16 16 THR C C 13 171.166 . . 1 . . . . 7 T C . 16621 1 31 . 1 1 16 16 THR CA C 13 61.879 . . 1 . . . . 7 T CA . 16621 1 32 . 1 1 16 16 THR CB C 13 69.241 . . 1 . . . . 7 T CB . 16621 1 33 . 1 1 16 16 THR N N 15 113.567 . . 1 . . . . 7 T N . 16621 1 34 . 1 1 17 17 GLU H H 1 8.420 . . 1 . . . . 8 E HN . 16621 1 35 . 1 1 17 17 GLU C C 13 175.961 . . 1 . . . . 8 E C . 16621 1 36 . 1 1 17 17 GLU CA C 13 56.864 . . 1 . . . . 8 E CA . 16621 1 37 . 1 1 17 17 GLU CB C 13 29.149 . . 1 . . . . 8 E CB . 16621 1 38 . 1 1 17 17 GLU N N 15 123.111 . . 1 . . . . 8 E N . 16621 1 39 . 1 1 18 18 THR H H 1 8.042 . . 1 . . . . 9 T HN . 16621 1 40 . 1 1 18 18 THR C C 13 173.694 . . 1 . . . . 9 T C . 16621 1 41 . 1 1 18 18 THR CA C 13 61.776 . . 1 . . . . 9 T CA . 16621 1 42 . 1 1 18 18 THR CB C 13 70.119 . . 1 . . . . 9 T CB . 16621 1 43 . 1 1 18 18 THR N N 15 113.859 . . 1 . . . . 9 T N . 16621 1 44 . 1 1 19 19 TRP H H 1 8.378 . . 1 . . . . 10 W HN . 16621 1 45 . 1 1 19 19 TRP HE1 H 1 10.312 . . 3 . . . . 10 W HE1 . 16621 1 46 . 1 1 19 19 TRP C C 13 176.196 . . 1 . . . . 10 W C . 16621 1 47 . 1 1 19 19 TRP CA C 13 59.253 . . 1 . . . . 10 W CA . 16621 1 48 . 1 1 19 19 TRP CB C 13 27.815 . . 1 . . . . 10 W CB . 16621 1 49 . 1 1 19 19 TRP N N 15 121.999 . . 1 . . . . 10 W N . 16621 1 50 . 1 1 19 19 TRP NE1 N 15 130.592 . . 1 . . . . 10 W NE1 . 16621 1 51 . 1 1 20 20 TYR H H 1 7.087 . . 1 . . . . 11 Y HN . 16621 1 52 . 1 1 20 20 TYR C C 13 176.352 . . 1 . . . . 11 Y C . 16621 1 53 . 1 1 20 20 TYR CA C 13 60.160 . . 1 . . . . 11 Y CA . 16621 1 54 . 1 1 20 20 TYR CB C 13 36.622 . . 1 . . . . 11 Y CB . 16621 1 55 . 1 1 20 20 TYR N N 15 118.978 . . 1 . . . . 11 Y N . 16621 1 56 . 1 1 21 21 GLU H H 1 7.663 . . 1 . . . . 12 E HN . 16621 1 57 . 1 1 21 21 GLU C C 13 180.862 . . 1 . . . . 12 E C . 16621 1 58 . 1 1 21 21 GLU CA C 13 58.865 . . 1 . . . . 12 E CA . 16621 1 59 . 1 1 21 21 GLU CB C 13 28.497 . . 1 . . . . 12 E CB . 16621 1 60 . 1 1 21 21 GLU N N 15 120.509 . . 1 . . . . 12 E N . 16621 1 61 . 1 1 22 22 SER H H 1 8.045 . . 1 . . . . 13 S HN . 16621 1 62 . 1 1 22 22 SER C C 13 173.163 . . 1 . . . . 13 S C . 16621 1 63 . 1 1 22 22 SER CA C 13 61.509 . . 1 . . . . 13 S CA . 16621 1 64 . 1 1 22 22 SER CB C 13 62.539 . . 1 . . . . 13 S CB . 16621 1 65 . 1 1 22 22 SER N N 15 116.818 . . 1 . . . . 13 S N . 16621 1 66 . 1 1 23 23 LEU H H 1 8.019 . . 1 . . . . 14 L HN . 16621 1 67 . 1 1 23 23 LEU C C 13 178.076 . . 1 . . . . 14 L C . 16621 1 68 . 1 1 23 23 LEU CA C 13 57.372 . . 1 . . . . 14 L CA . 16621 1 69 . 1 1 23 23 LEU CB C 13 40.584 . . 1 . . . . 14 L CB . 16621 1 70 . 1 1 23 23 LEU N N 15 121.867 . . 1 . . . . 14 L N . 16621 1 71 . 1 1 24 24 HIS H H 1 8.188 . . 1 . . . . 15 H HN . 16621 1 72 . 1 1 24 24 HIS C C 13 175.261 . . 1 . . . . 15 H C . 16621 1 73 . 1 1 24 24 HIS CA C 13 59.210 . . 1 . . . . 15 H CA . 16621 1 74 . 1 1 24 24 HIS CB C 13 29.199 . . 1 . . . . 15 H CB . 16621 1 75 . 1 1 24 24 HIS N N 15 118.243 . . 1 . . . . 15 H N . 16621 1 76 . 1 1 25 25 ALA H H 1 7.856 . . 1 . . . . 16 A HN . 16621 1 77 . 1 1 25 25 ALA C C 13 183.149 . . 1 . . . . 16 A C . 16621 1 78 . 1 1 25 25 ALA CA C 13 54.938 . . 1 . . . . 16 A CA . 16621 1 79 . 1 1 25 25 ALA CB C 13 17.349 . . 1 . . . . 16 A CB . 16621 1 80 . 1 1 25 25 ALA N N 15 121.014 . . 1 . . . . 16 A N . 16621 1 81 . 1 1 26 26 VAL H H 1 7.802 . . 1 . . . . 17 V HN . 16621 1 82 . 1 1 26 26 VAL C C 13 176.613 . . 1 . . . . 17 V C . 16621 1 83 . 1 1 26 26 VAL CA C 13 65.788 . . 1 . . . . 17 V CA . 16621 1 84 . 1 1 26 26 VAL CB C 13 30.426 . . 1 . . . . 17 V CB . 16621 1 85 . 1 1 26 26 VAL N N 15 119.417 . . 1 . . . . 17 V N . 16621 1 86 . 1 1 27 27 LEU H H 1 8.075 . . 1 . . . . 18 L HN . 16621 1 87 . 1 1 27 27 LEU CA C 13 57.729 . . 1 . . . . 18 L CA . 16621 1 88 . 1 1 27 27 LEU CB C 13 39.706 . . 1 . . . . 18 L CB . 16621 1 89 . 1 1 27 27 LEU N N 15 120.129 . . 1 . . . . 18 L N . 16621 1 90 . 1 1 28 28 LYS C C 13 180.319 . . 1 . . . . 19 K C . 16621 1 91 . 1 1 28 28 LYS CA C 13 59.244 . . 1 . . . . 19 K CA . 16621 1 92 . 1 1 28 28 LYS CB C 13 31.334 . . 1 . . . . 19 K CB . 16621 1 93 . 1 1 29 29 ALA H H 1 7.678 . . 1 . . . . 20 A HN . 16621 1 94 . 1 1 29 29 ALA C C 13 182.637 . . 1 . . . . 20 A C . 16621 1 95 . 1 1 29 29 ALA CA C 13 54.415 . . 1 . . . . 20 A CA . 16621 1 96 . 1 1 29 29 ALA CB C 13 17.459 . . 1 . . . . 20 A CB . 16621 1 97 . 1 1 29 29 ALA N N 15 122.880 . . 1 . . . . 20 A N . 16621 1 98 . 1 1 30 30 LEU H H 1 8.363 . . 1 . . . . 21 L HN . 16621 1 99 . 1 1 30 30 LEU C C 13 178.321 . . 1 . . . . 21 L C . 16621 1 100 . 1 1 30 30 LEU CA C 13 57.334 . . 1 . . . . 21 L CA . 16621 1 101 . 1 1 30 30 LEU CB C 13 40.958 . . 1 . . . . 21 L CB . 16621 1 102 . 1 1 30 30 LEU N N 15 120.404 . . 1 . . . . 21 L N . 16621 1 103 . 1 1 31 31 ASN H H 1 8.309 . . 1 . . . . 22 N HN . 16621 1 104 . 1 1 31 31 ASN CA C 13 56.214 . . 1 . . . . 22 N CA . 16621 1 105 . 1 1 31 31 ASN CB C 13 38.607 . . 1 . . . . 22 N CB . 16621 1 106 . 1 1 31 31 ASN N N 15 118.150 . . 1 . . . . 22 N N . 16621 1 107 . 1 1 32 32 ALA H H 1 7.917 . . 1 . . . . 23 A HN . 16621 1 108 . 1 1 32 32 ALA C C 13 181.658 . . 1 . . . . 23 A C . 16621 1 109 . 1 1 32 32 ALA CA C 13 54.524 . . 1 . . . . 23 A CA . 16621 1 110 . 1 1 32 32 ALA CB C 13 17.449 . . 1 . . . . 23 A CB . 16621 1 111 . 1 1 32 32 ALA N N 15 121.388 . . 1 . . . . 23 A N . 16621 1 112 . 1 1 33 33 THR H H 1 7.860 . . 1 . . . . 24 T HN . 16621 1 113 . 1 1 33 33 THR C C 13 174.058 . . 1 . . . . 24 T C . 16621 1 114 . 1 1 33 33 THR CA C 13 65.449 . . 1 . . . . 24 T CA . 16621 1 115 . 1 1 33 33 THR CB C 13 68.713 . . 1 . . . . 24 T CB . 16621 1 116 . 1 1 33 33 THR N N 15 114.946 . . 1 . . . . 24 T N . 16621 1 117 . 1 1 34 34 LEU H H 1 8.008 . . 1 . . . . 25 L HN . 16621 1 118 . 1 1 34 34 LEU C C 13 176.240 . . 1 . . . . 25 L C . 16621 1 119 . 1 1 34 34 LEU CA C 13 56.624 . . 1 . . . . 25 L CA . 16621 1 120 . 1 1 34 34 LEU CB C 13 40.637 . . 1 . . . . 25 L CB . 16621 1 121 . 1 1 34 34 LEU N N 15 121.495 . . 1 . . . . 25 L N . 16621 1 122 . 1 1 35 35 HIS H H 1 7.734 . . 1 . . . . 26 H HN . 16621 1 123 . 1 1 35 35 HIS C C 13 171.991 . . 1 . . . . 26 H C . 16621 1 124 . 1 1 35 35 HIS CA C 13 57.114 . . 1 . . . . 26 H CA . 16621 1 125 . 1 1 35 35 HIS CB C 13 28.169 . . 1 . . . . 26 H CB . 16621 1 126 . 1 1 35 35 HIS N N 15 115.542 . . 1 . . . . 26 H N . 16621 1 127 . 1 1 36 36 SER H H 1 7.826 . . 1 . . . . 27 S HN . 16621 1 128 . 1 1 36 36 SER C C 13 171.024 . . 1 . . . . 27 S C . 16621 1 129 . 1 1 36 36 SER CA C 13 59.206 . . 1 . . . . 27 S CA . 16621 1 130 . 1 1 36 36 SER CB C 13 63.532 . . 1 . . . . 27 S CB . 16621 1 131 . 1 1 36 36 SER N N 15 114.635 . . 1 . . . . 27 S N . 16621 1 132 . 1 1 37 37 ASN H H 1 8.151 . . 1 . . . . 28 N HN . 16621 1 133 . 1 1 37 37 ASN C C 13 172.243 . . 1 . . . . 28 N C . 16621 1 134 . 1 1 37 37 ASN CA C 13 53.949 . . 1 . . . . 28 N CA . 16621 1 135 . 1 1 37 37 ASN CB C 13 38.743 . . 1 . . . . 28 N CB . 16621 1 136 . 1 1 37 37 ASN N N 15 119.486 . . 1 . . . . 28 N N . 16621 1 137 . 1 1 38 38 LEU H H 1 7.822 . . 1 . . . . 29 L HN . 16621 1 138 . 1 1 38 38 LEU C C 13 175.370 . . 1 . . . . 29 L C . 16621 1 139 . 1 1 38 38 LEU CA C 13 55.933 . . 1 . . . . 29 L CA . 16621 1 140 . 1 1 38 38 LEU CB C 13 41.511 . . 1 . . . . 29 L CB . 16621 1 141 . 1 1 38 38 LEU N N 15 120.021 . . 1 . . . . 29 L N . 16621 1 142 . 1 1 39 39 LEU H H 1 7.685 . . 1 . . . . 30 L HN . 16621 1 143 . 1 1 39 39 LEU CA C 13 54.735 . . 1 . . . . 30 L CA . 16621 1 144 . 1 1 39 39 LEU CB C 13 41.256 . . 1 . . . . 30 L CB . 16621 1 145 . 1 1 39 39 LEU N N 15 118.307 . . 1 . . . . 30 L N . 16621 1 146 . 1 1 40 40 CYS H H 1 7.716 . . 1 . . . . 31 C HN . 16621 1 147 . 1 1 40 40 CYS C C 13 172.094 . . 1 . . . . 31 C C . 16621 1 148 . 1 1 40 40 CYS CA C 13 57.836 . . 1 . . . . 31 C CA . 16621 1 149 . 1 1 40 40 CYS CB C 13 27.477 . . 1 . . . . 31 C CB . 16621 1 150 . 1 1 40 40 CYS N N 15 117.875 . . 1 . . . . 31 C N . 16621 1 151 . 1 1 41 41 ARG H H 1 8.053 . . 1 . . . . 32 R HN . 16621 1 152 . 1 1 41 41 ARG CA C 13 53.511 . . 1 . . . . 32 R CA . 16621 1 153 . 1 1 41 41 ARG CB C 13 29.271 . . 1 . . . . 32 R CB . 16621 1 154 . 1 1 41 41 ARG N N 15 123.688 . . 1 . . . . 32 R N . 16621 1 155 . 1 1 42 42 PRO C C 13 175.563 . . 1 . . . . 33 P C . 16621 1 156 . 1 1 42 42 PRO CA C 13 62.743 . . 1 . . . . 33 P CA . 16621 1 157 . 1 1 42 42 PRO CB C 13 31.277 . . 1 . . . . 33 P CB . 16621 1 158 . 1 1 43 43 GLY H H 1 8.021 . . 1 . . . . 34 G HN . 16621 1 159 . 1 1 43 43 GLY CA C 13 44.099 . . 1 . . . . 34 G CA . 16621 1 160 . 1 1 43 43 GLY N N 15 108.928 . . 1 . . . . 34 G N . 16621 1 161 . 1 1 44 44 PRO C C 13 175.917 . . 1 . . . . 35 P C . 16621 1 162 . 1 1 44 44 PRO CA C 13 62.891 . . 1 . . . . 35 P CA . 16621 1 163 . 1 1 44 44 PRO CB C 13 31.126 . . 1 . . . . 35 P CB . 16621 1 164 . 1 1 45 45 GLY H H 1 8.257 . . 1 . . . . 36 G HN . 16621 1 165 . 1 1 45 45 GLY CA C 13 44.834 . . 1 . . . . 36 G CA . 16621 1 166 . 1 1 45 45 GLY N N 15 109.248 . . 1 . . . . 36 G N . 16621 1 167 . 1 1 46 46 LEU H H 1 7.899 . . 1 . . . . 37 L HN . 16621 1 168 . 1 1 46 46 LEU C C 13 176.360 . . 1 . . . . 37 L C . 16621 1 169 . 1 1 46 46 LEU CA C 13 58.480 . . 1 . . . . 37 L CA . 16621 1 170 . 1 1 46 46 LEU CB C 13 41.789 . . 1 . . . . 37 L CB . 16621 1 171 . 1 1 46 46 LEU N N 15 121.667 . . 1 . . . . 37 L N . 16621 1 172 . 1 1 47 47 GLY H H 1 8.072 . . 1 . . . . 38 G HN . 16621 1 173 . 1 1 47 47 GLY CA C 13 44.130 . . 1 . . . . 38 G CA . 16621 1 174 . 1 1 47 47 GLY N N 15 109.648 . . 1 . . . . 38 G N . 16621 1 175 . 1 1 48 48 PRO C C 13 175.342 . . 1 . . . . 39 P C . 16621 1 176 . 1 1 48 48 PRO CA C 13 63.010 . . 1 . . . . 39 P CA . 16621 1 177 . 1 1 48 48 PRO CB C 13 31.027 . . 1 . . . . 39 P CB . 16621 1 178 . 1 1 49 49 ASP H H 1 8.214 . . 1 . . . . 40 D HN . 16621 1 179 . 1 1 49 49 ASP C C 13 176.334 . . 1 . . . . 40 D C . 16621 1 180 . 1 1 49 49 ASP CA C 13 53.972 . . 1 . . . . 40 D CA . 16621 1 181 . 1 1 49 49 ASP CB C 13 40.373 . . 1 . . . . 40 D CB . 16621 1 182 . 1 1 49 49 ASP N N 15 119.684 . . 1 . . . . 40 D N . 16621 1 183 . 1 1 50 50 ASN H H 1 8.044 . . 1 . . . . 41 N HN . 16621 1 184 . 1 1 50 50 ASN C C 13 171.984 . . 1 . . . . 41 N C . 16621 1 185 . 1 1 50 50 ASN CA C 13 53.131 . . 1 . . . . 41 N CA . 16621 1 186 . 1 1 50 50 ASN CB C 13 38.451 . . 1 . . . . 41 N CB . 16621 1 187 . 1 1 50 50 ASN N N 15 118.789 . . 1 . . . . 41 N N . 16621 1 188 . 1 1 51 51 GLN H H 1 8.254 . . 1 . . . . 42 Q HN . 16621 1 189 . 1 1 51 51 GLN C C 13 173.869 . . 1 . . . . 42 Q C . 16621 1 190 . 1 1 51 51 GLN CA C 13 55.769 . . 1 . . . . 42 Q CA . 16621 1 191 . 1 1 51 51 GLN CB C 13 28.705 . . 1 . . . . 42 Q CB . 16621 1 192 . 1 1 51 51 GLN CD C 13 28.448 . . 1 . . . . 42 Q CD . 16621 1 193 . 1 1 51 51 GLN CG C 13 33.047 . . 1 . . . . 42 Q CG . 16621 1 194 . 1 1 51 51 GLN N N 15 120.491 . . 1 . . . . 42 Q N . 16621 1 195 . 1 1 52 52 THR H H 1 7.924 . . 1 . . . . 43 T HN . 16621 1 196 . 1 1 52 52 THR C C 13 170.785 . . 1 . . . . 43 T C . 16621 1 197 . 1 1 52 52 THR CA C 13 61.836 . . 1 . . . . 43 T CA . 16621 1 198 . 1 1 52 52 THR CB C 13 69.261 . . 1 . . . . 43 T CB . 16621 1 199 . 1 1 52 52 THR N N 15 114.926 . . 1 . . . . 43 T N . 16621 1 200 . 1 1 53 53 GLU H H 1 8.179 . . 1 . . . . 44 E HN . 16621 1 201 . 1 1 53 53 GLU C C 13 174.553 . . 1 . . . . 44 E C . 16621 1 202 . 1 1 53 53 GLU CA C 13 56.383 . . 1 . . . . 44 E CA . 16621 1 203 . 1 1 53 53 GLU CB C 13 29.378 . . 1 . . . . 44 E CB . 16621 1 204 . 1 1 53 53 GLU N N 15 123.084 . . 1 . . . . 44 E N . 16621 1 205 . 1 1 54 54 ARG H H 1 8.207 . . 1 . . . . 45 E HN . 16621 1 206 . 1 1 54 54 ARG C C 13 174.470 . . 1 . . . . 45 E C . 16621 1 207 . 1 1 54 54 ARG CA C 13 56.431 . . 1 . . . . 45 E CA . 16621 1 208 . 1 1 54 54 ARG CB C 13 29.378 . . 1 . . . . 45 E CB . 16621 1 209 . 1 1 54 54 ARG N N 15 122.280 . . 1 . . . . 45 E N . 16621 1 210 . 1 1 55 55 ARG H H 1 8.095 . . 1 . . . . 46 R HN . 16621 1 211 . 1 1 55 55 ARG C C 13 173.490 . . 1 . . . . 47 R C . 16621 1 212 . 1 1 55 55 ARG CA C 13 55.667 . . 1 . . . . 46 R CA . 16621 1 213 . 1 1 55 55 ARG CB C 13 29.615 . . 1 . . . . 46 R CB . 16621 1 214 . 1 1 55 55 ARG N N 15 122.358 . . 1 . . . . 46 R N . 16621 1 215 . 1 1 56 56 ALA H H 1 8.090 . . 1 . . . . 48 A HN . 16621 1 216 . 1 1 56 56 ALA C C 13 176.158 . . 1 . . . . 48 A C . 16621 1 217 . 1 1 56 56 ALA CA C 13 52.015 . . 1 . . . . 48 A CA . 16621 1 218 . 1 1 56 56 ALA CB C 13 18.519 . . 1 . . . . 48 A CB . 16621 1 219 . 1 1 56 56 ALA N N 15 124.962 . . 1 . . . . 48 A N . 16621 1 220 . 1 1 57 57 SER H H 1 7.964 . . 1 . . . . 49 S HN . 16621 1 221 . 1 1 57 57 SER C C 13 167.755 . . 1 . . . . 49 S C . 16621 1 222 . 1 1 57 57 SER CA C 13 57.659 . . 1 . . . . 49 S CA . 16621 1 223 . 1 1 57 57 SER CB C 13 63.438 . . 1 . . . . 49 S CB . 16621 1 224 . 1 1 57 57 SER N N 15 115.141 . . 1 . . . . 49 S N . 16621 1 225 . 1 1 58 58 LEU H H 1 8.006 . . 1 . . . . 50 L HN . 16621 1 226 . 1 1 58 58 LEU CA C 13 52.245 . . 1 . . . . 50 L CA . 16621 1 227 . 1 1 58 58 LEU CB C 13 42.032 . . 1 . . . . 50 L CB . 16621 1 228 . 1 1 58 58 LEU N N 15 124.837 . . 1 . . . . 50 L N . 16621 1 229 . 1 1 59 59 PRO C C 13 174.819 . . 1 . . . . 51 P C . 16621 1 230 . 1 1 59 59 PRO CA C 13 62.699 . . 1 . . . . 51 P CA . 16621 1 231 . 1 1 59 59 PRO CB C 13 33.802 . . 1 . . . . 51 P CB . 16621 1 232 . 1 1 60 60 GLY H H 1 8.427 . . 1 . . . . 52 G HN . 16621 1 233 . 1 1 60 60 GLY C C 13 169.610 . . 1 . . . . 52 G C . 16621 1 234 . 1 1 60 60 GLY CA C 13 44.986 . . 1 . . . . 52 G CA . 16621 1 235 . 1 1 60 60 GLY N N 15 110.475 . . 1 . . . . 52 G N . 16621 1 236 . 1 1 61 61 ARG H H 1 7.949 . . 1 . . . . 53 R HN . 16621 1 237 . 1 1 61 61 ARG C C 13 173.476 . . 1 . . . . 53 R C . 16621 1 238 . 1 1 61 61 ARG CA C 13 55.758 . . 1 . . . . 53 R CA . 16621 1 239 . 1 1 61 61 ARG CB C 13 30.057 . . 1 . . . . 53 R CB . 16621 1 240 . 1 1 61 61 ARG N N 15 120.464 . . 1 . . . . 53 R N . 16621 1 241 . 1 1 62 62 ASP H H 1 8.253 . . 1 . . . . 54 D HN . 16621 1 242 . 1 1 62 62 ASP C C 13 173.150 . . 1 . . . . 54 D C . 16621 1 243 . 1 1 62 62 ASP CA C 13 53.886 . . 1 . . . . 54 D CA . 16621 1 244 . 1 1 62 62 ASP CB C 13 40.640 . . 1 . . . . 54 D CB . 16621 1 245 . 1 1 62 62 ASP N N 15 120.963 . . 1 . . . . 54 D N . 16621 1 246 . 1 1 63 63 ASP H H 1 8.022 . . 1 . . . . 55 D HN . 16621 1 247 . 1 1 63 63 ASP C C 13 174.227 . . 1 . . . . 55 D C . 16621 1 248 . 1 1 63 63 ASP CA C 13 54.166 . . 1 . . . . 55 D CA . 16621 1 249 . 1 1 63 63 ASP CB C 13 40.783 . . 1 . . . . 55 D CB . 16621 1 250 . 1 1 63 63 ASP N N 15 120.635 . . 1 . . . . 55 D N . 16621 1 251 . 1 1 64 64 ASN H H 1 8.311 . . 1 . . . . 56 N HN . 16621 1 252 . 1 1 64 64 ASN C C 13 173.646 . . 1 . . . . 56 N C . 16621 1 253 . 1 1 64 64 ASN CA C 13 53.394 . . 1 . . . . 56 N CA . 16621 1 254 . 1 1 64 64 ASN CB C 13 38.346 . . 1 . . . . 56 N CB . 16621 1 255 . 1 1 64 64 ASN N N 15 119.364 . . 1 . . . . 56 N N . 16621 1 256 . 1 1 65 65 SER H H 1 8.240 . . 1 . . . . 57 S HN . 16621 1 257 . 1 1 65 65 SER C C 13 173.516 . . 1 . . . . 57 S C . 16621 1 258 . 1 1 65 65 SER CA C 13 61.010 . . 1 . . . . 57 S CA . 16621 1 259 . 1 1 65 65 SER CB C 13 62.674 . . 1 . . . . 57 S CB . 16621 1 260 . 1 1 65 65 SER N N 15 116.359 . . 1 . . . . 57 S N . 16621 1 261 . 1 1 66 66 TYR H H 1 8.065 . . 1 . . . . 58 Y HN . 16621 1 262 . 1 1 66 66 TYR C C 13 175.733 . . 1 . . . . 58 Y C . 16621 1 263 . 1 1 66 66 TYR CA C 13 59.721 . . 1 . . . . 58 Y CA . 16621 1 264 . 1 1 66 66 TYR CB C 13 36.857 . . 1 . . . . 58 Y CB . 16621 1 265 . 1 1 66 66 TYR N N 15 120.131 . . 1 . . . . 58 Y N . 16621 1 266 . 1 1 67 67 MET H H 1 7.704 . . 1 . . . . 59 M HN . 16621 1 267 . 1 1 67 67 MET C C 13 177.171 . . 1 . . . . 59 M C . 16621 1 268 . 1 1 67 67 MET CA C 13 57.799 . . 1 . . . . 59 M CA . 16621 1 269 . 1 1 67 67 MET CB C 13 31.191 . . 1 . . . . 59 M CB . 16621 1 270 . 1 1 67 67 MET N N 15 118.717 . . 1 . . . . 59 M N . 16621 1 271 . 1 1 68 68 TYR H H 1 7.646 . . 1 . . . . 60 Y HN . 16621 1 272 . 1 1 68 68 TYR C C 13 177.175 . . 1 . . . . 60 Y C . 16621 1 273 . 1 1 68 68 TYR CA C 13 60.542 . . 1 . . . . 60 Y CA . 16621 1 274 . 1 1 68 68 TYR CB C 13 37.042 . . 1 . . . . 60 Y CB . 16621 1 275 . 1 1 68 68 TYR N N 15 117.752 . . 1 . . . . 60 Y N . 16621 1 276 . 1 1 69 69 ILE H H 1 7.772 . . 1 . . . . 61 I HN . 16621 1 277 . 1 1 69 69 ILE C C 13 176.940 . . 1 . . . . 61 I C . 16621 1 278 . 1 1 69 69 ILE CA C 13 64.383 . . 1 . . . . 61 I CA . 16621 1 279 . 1 1 69 69 ILE CB C 13 36.838 . . 1 . . . . 61 I CB . 16621 1 280 . 1 1 69 69 ILE N N 15 118.599 . . 1 . . . . 61 I N . 16621 1 281 . 1 1 70 70 LEU H H 1 7.976 . . 1 . . . . 62 L HN . 16621 1 282 . 1 1 70 70 LEU C C 13 179.745 . . 1 . . . . 62 L C . 16621 1 283 . 1 1 70 70 LEU CA C 13 57.924 . . 1 . . . . 62 L CA . 16621 1 284 . 1 1 70 70 LEU CB C 13 36.599 . . 1 . . . . 62 L CB . 16621 1 285 . 1 1 70 70 LEU N N 15 119.922 . . 1 . . . . 62 L N . 16621 1 286 . 1 1 71 71 PHE H H 1 8.176 . . 1 . . . . 63 F HN . 16621 1 287 . 1 1 71 71 PHE C C 13 175.889 . . 1 . . . . 63 F C . 16621 1 288 . 1 1 71 71 PHE CA C 13 59.233 . . 1 . . . . 63 F CA . 16621 1 289 . 1 1 71 71 PHE CB C 13 39.349 . . 1 . . . . 63 F CB . 16621 1 290 . 1 1 71 71 PHE N N 15 119.497 . . 1 . . . . 63 F N . 16621 1 291 . 1 1 72 72 VAL H H 1 8.193 . . 1 . . . . 64 V HN . 16621 1 292 . 1 1 72 72 VAL C C 13 176.902 . . 1 . . . . 64 V C . 16621 1 293 . 1 1 72 72 VAL CA C 13 66.658 . . 1 . . . . 64 V CA . 16621 1 294 . 1 1 72 72 VAL CB C 13 30.496 . . 1 . . . . 64 V CB . 16621 1 295 . 1 1 72 72 VAL N N 15 118.448 . . 1 . . . . 64 V N . 16621 1 296 . 1 1 73 73 MET H H 1 8.378 . . 1 . . . . 65 M HN . 16621 1 297 . 1 1 73 73 MET C C 13 177.346 . . 1 . . . . 65 M C . 16621 1 298 . 1 1 73 73 MET CA C 13 59.056 . . 1 . . . . 65 M CA . 16621 1 299 . 1 1 73 73 MET CB C 13 31.503 . . 1 . . . . 65 M CB . 16621 1 300 . 1 1 73 73 MET N N 15 118.789 . . 1 . . . . 65 M N . 16621 1 301 . 1 1 74 74 PHE H H 1 8.455 . . 1 . . . . 66 F HN . 16621 1 302 . 1 1 74 74 PHE C C 13 174.418 . . 1 . . . . 66 F C . 16621 1 303 . 1 1 74 74 PHE CA C 13 60.940 . . 1 . . . . 66 F CA . 16621 1 304 . 1 1 74 74 PHE CB C 13 37.971 . . 1 . . . . 66 F CB . 16621 1 305 . 1 1 74 74 PHE N N 15 119.947 . . 1 . . . . 66 F N . 16621 1 306 . 1 1 75 75 LEU H H 1 8.263 . . 1 . . . . 67 L HN . 16621 1 307 . 1 1 75 75 LEU C C 13 181.860 . . 1 . . . . 67 L C . 16621 1 308 . 1 1 75 75 LEU CA C 13 57.362 . . 1 . . . . 67 L CA . 16621 1 309 . 1 1 75 75 LEU CB C 13 40.533 . . 1 . . . . 67 L CB . 16621 1 310 . 1 1 75 75 LEU N N 15 119.215 . . 1 . . . . 67 L N . 16621 1 311 . 1 1 76 76 PHE H H 1 8.666 . . 1 . . . . 68 F HN . 16621 1 312 . 1 1 76 76 PHE C C 13 174.103 . . 1 . . . . 68 F C . 16621 1 313 . 1 1 76 76 PHE CA C 13 61.016 . . 1 . . . . 68 F CA . 16621 1 314 . 1 1 76 76 PHE CB C 13 38.136 . . 1 . . . . 68 F CB . 16621 1 315 . 1 1 76 76 PHE N N 15 121.467 . . 1 . . . . 68 F N . 16621 1 316 . 1 1 77 77 ALA H H 1 8.404 . . 1 . . . . 69 A HN . 16621 1 317 . 1 1 77 77 ALA C C 13 179.979 . . 1 . . . . 69 A C . 16621 1 318 . 1 1 77 77 ALA CA C 13 55.217 . . 1 . . . . 69 A CA . 16621 1 319 . 1 1 77 77 ALA CB C 13 17.336 . . 1 . . . . 69 A CB . 16621 1 320 . 1 1 77 77 ALA N N 15 121.609 . . 1 . . . . 69 A N . 16621 1 321 . 1 1 78 78 VAL H H 1 8.187 . . 1 . . . . 70 V HN . 16621 1 322 . 1 1 78 78 VAL C C 13 177.561 . . 1 . . . . 70 V C . 16621 1 323 . 1 1 78 78 VAL CA C 13 65.355 . . 1 . . . . 70 V CA . 16621 1 324 . 1 1 78 78 VAL CB C 13 30.441 . . 1 . . . . 70 V CB . 16621 1 325 . 1 1 78 78 VAL N N 15 114.778 . . 1 . . . . 70 V N . 16621 1 326 . 1 1 79 79 THR H H 1 7.764 . . 1 . . . . 71 T HN . 16621 1 327 . 1 1 79 79 THR C C 13 173.260 . . 1 . . . . 71 T C . 16621 1 328 . 1 1 79 79 THR CA C 13 67.419 . . 1 . . . . 71 T CA . 16621 1 329 . 1 1 79 79 THR N N 15 119.018 . . 1 . . . . 71 T N . 16621 1 330 . 1 1 80 80 VAL H H 1 8.168 . . 1 . . . . 72 V HN . 16621 1 331 . 1 1 80 80 VAL C C 13 177.260 . . 1 . . . . 72 V C . 16621 1 332 . 1 1 80 80 VAL CA C 13 66.405 . . 1 . . . . 72 V CA . 16621 1 333 . 1 1 80 80 VAL CB C 13 30.344 . . 1 . . . . 72 V CB . 16621 1 334 . 1 1 80 80 VAL N N 15 120.166 . . 1 . . . . 72 V N . 16621 1 335 . 1 1 81 81 GLY H H 1 8.392 . . 1 . . . . 73 G HN . 16621 1 336 . 1 1 81 81 GLY C C 13 170.625 . . 1 . . . . 73 G C . 16621 1 337 . 1 1 81 81 GLY CA C 13 47.249 . . 1 . . . . 73 G CA . 16621 1 338 . 1 1 81 81 GLY N N 15 106.335 . . 1 . . . . 73 G N . 16621 1 339 . 1 1 82 82 SER H H 1 7.935 . . 1 . . . . 74 S HN . 16621 1 340 . 1 1 82 82 SER C C 13 173.929 . . 1 . . . . 74 S C . 16621 1 341 . 1 1 82 82 SER CA C 13 62.792 . . 1 . . . . 74 S CA . 16621 1 342 . 1 1 82 82 SER CB C 13 63.921 . . 1 . . . . 74 S CB . 16621 1 343 . 1 1 82 82 SER N N 15 117.256 . . 1 . . . . 74 S N . 16621 1 344 . 1 1 83 83 LEU H H 1 7.652 . . 1 . . . . 75 L HN . 16621 1 345 . 1 1 83 83 LEU CA C 13 57.582 . . 1 . . . . 75 L CA . 16621 1 346 . 1 1 83 83 LEU CB C 13 41.015 . . 1 . . . . 75 L CB . 16621 1 347 . 1 1 83 83 LEU N N 15 122.599 . . 1 . . . . 75 L N . 16621 1 348 . 1 1 84 84 ILE C C 13 178.551 . . 1 . . . . 76 I C . 16621 1 349 . 1 1 84 84 ILE CA C 13 64.983 . . 1 . . . . 76 I CA . 16621 1 350 . 1 1 84 84 ILE CB C 13 36.994 . . 1 . . . . 76 I CB . 16621 1 351 . 1 1 85 85 LEU H H 1 8.239 . . 1 . . . . 77 L HN . 16621 1 352 . 1 1 85 85 LEU C C 13 179.681 . . 1 . . . . 77 L C . 16621 1 353 . 1 1 85 85 LEU CA C 13 57.496 . . 1 . . . . 77 L CA . 16621 1 354 . 1 1 85 85 LEU CB C 13 40.860 . . 1 . . . . 77 L CB . 16621 1 355 . 1 1 85 85 LEU N N 15 121.376 . . 1 . . . . 77 L N . 16621 1 356 . 1 1 86 86 GLY H H 1 8.342 . . 1 . . . . 78 G HN . 16621 1 357 . 1 1 86 86 GLY C C 13 172.879 . . 1 . . . . 78 G C . 16621 1 358 . 1 1 86 86 GLY CA C 13 46.779 . . 1 . . . . 78 G CA . 16621 1 359 . 1 1 86 86 GLY N N 15 106.450 . . 1 . . . . 78 G N . 16621 1 360 . 1 1 87 87 TYR H H 1 8.234 . . 1 . . . . 79 Y HN . 16621 1 361 . 1 1 87 87 TYR C C 13 177.085 . . 1 . . . . 79 Y C . 16621 1 362 . 1 1 87 87 TYR CA C 13 60.949 . . 1 . . . . 79 Y CA . 16621 1 363 . 1 1 87 87 TYR CB C 13 38.267 . . 1 . . . . 79 Y CB . 16621 1 364 . 1 1 87 87 TYR N N 15 122.178 . . 1 . . . . 79 Y N . 16621 1 365 . 1 1 88 88 THR H H 1 8.253 . . 1 . . . . 80 T HN . 16621 1 366 . 1 1 88 88 THR C C 13 174.648 . . 1 . . . . 80 T C . 16621 1 367 . 1 1 88 88 THR CA C 13 64.866 . . 1 . . . . 80 T CA . 16621 1 368 . 1 1 88 88 THR CB C 13 68.546 . . 1 . . . . 80 T CB . 16621 1 369 . 1 1 88 88 THR N N 15 112.368 . . 1 . . . . 80 T N . 16621 1 370 . 1 1 89 89 ARG H H 1 7.869 . . 1 . . . . 81 R HN . 16621 1 371 . 1 1 89 89 ARG C C 13 176.310 . . 1 . . . . 81 R C . 16621 1 372 . 1 1 89 89 ARG CA C 13 57.357 . . 1 . . . . 81 R CA . 16621 1 373 . 1 1 89 89 ARG CB C 13 29.215 . . 1 . . . . 81 R CB . 16621 1 374 . 1 1 89 89 ARG N N 15 120.972 . . 1 . . . . 81 R N . 16621 1 375 . 1 1 90 90 SER H H 1 7.624 . . 1 . . . . 82 S HN . 16621 1 376 . 1 1 90 90 SER C C 13 171.110 . . 1 . . . . 82 S C . 16621 1 377 . 1 1 90 90 SER CA C 13 59.293 . . 1 . . . . 82 S CA . 16621 1 378 . 1 1 90 90 SER CB C 13 63.285 . . 1 . . . . 82 S CB . 16621 1 379 . 1 1 90 90 SER N N 15 114.629 . . 1 . . . . 82 S N . 16621 1 380 . 1 1 91 91 ARG H H 1 7.513 . . 1 . . . . 83 R HN . 16621 1 381 . 1 1 91 91 ARG C C 13 173.969 . . 1 . . . . 83 R C . 16621 1 382 . 1 1 91 91 ARG CA C 13 55.752 . . 1 . . . . 83 R CA . 16621 1 383 . 1 1 91 91 ARG CB C 13 29.388 . . 1 . . . . 83 R CB . 16621 1 384 . 1 1 91 91 ARG N N 15 121.283 . . 1 . . . . 83 R N . 16621 1 385 . 1 1 92 92 LYS H H 1 7.770 . . 1 . . . . 84 K HN . 16621 1 386 . 1 1 92 92 LYS C C 13 174.392 . . 1 . . . . 84 K C . 16621 1 387 . 1 1 92 92 LYS CA C 13 55.972 . . 1 . . . . 84 K CA . 16621 1 388 . 1 1 92 92 LYS CB C 13 31.876 . . 1 . . . . 84 K CB . 16621 1 389 . 1 1 92 92 LYS N N 15 121.345 . . 1 . . . . 84 K N . 16621 1 390 . 1 1 93 93 VAL H H 1 7.757 . . 1 . . . . 85 V HN . 16621 1 391 . 1 1 93 93 VAL C C 13 172.671 . . 1 . . . . 85 V C . 16621 1 392 . 1 1 93 93 VAL CA C 13 61.743 . . 1 . . . . 85 V CA . 16621 1 393 . 1 1 93 93 VAL CB C 13 31.895 . . 1 . . . . 85 V CB . 16621 1 394 . 1 1 93 93 VAL N N 15 120.353 . . 1 . . . . 85 V N . 16621 1 395 . 1 1 94 94 ASP H H 1 8.133 . . 1 . . . . 86 D HN . 16621 1 396 . 1 1 94 94 ASP C C 13 173.723 . . 1 . . . . 86 D C . 16621 1 397 . 1 1 94 94 ASP CA C 13 53.782 . . 1 . . . . 86 D CA . 16621 1 398 . 1 1 94 94 ASP CB C 13 40.825 . . 1 . . . . 86 D CB . 16621 1 399 . 1 1 94 94 ASP N N 15 124.042 . . 1 . . . . 86 D N . 16621 1 400 . 1 1 95 95 LYS H H 1 8.047 . . 1 . . . . 87 K HN . 16621 1 401 . 1 1 95 95 LYS CA C 13 55.862 . . 1 . . . . 87 K CA . 16621 1 402 . 1 1 95 95 LYS CB C 13 31.707 . . 1 . . . . 87 K CB . 16621 1 403 . 1 1 95 95 LYS N N 15 122.446 . . 1 . . . . 87 K N . 16621 1 404 . 1 1 96 96 ARG H H 1 7.893 . . 1 . . . . 88 R HN . 16621 1 405 . 1 1 96 96 ARG C C 13 174.229 . . 1 . . . . 88 R C . 16621 1 406 . 1 1 96 96 ARG CA C 13 56.061 . . 1 . . . . 88 R CA . 16621 1 407 . 1 1 96 96 ARG CB C 13 29.694 . . 1 . . . . 88 R CB . 16621 1 408 . 1 1 96 96 ARG N N 15 120.644 . . 1 . . . . 88 R N . 16621 1 409 . 1 1 97 97 SER H H 1 8.026 . . 1 . . . . 89 S HN . 16621 1 410 . 1 1 97 97 SER C C 13 169.241 . . 1 . . . . 89 S C . 16621 1 411 . 1 1 97 97 SER CA C 13 57.757 . . 1 . . . . 89 S CA . 16621 1 412 . 1 1 97 97 SER CB C 13 63.376 . . 1 . . . . 89 S CB . 16621 1 413 . 1 1 97 97 SER N N 15 116.303 . . 1 . . . . 89 S N . 16621 1 414 . 1 1 98 98 ASP H H 1 7.763 . . 1 . . . . 90 D HN . 16621 1 415 . 1 1 98 98 ASP CA C 13 52.636 . . 1 . . . . 90 D CA . 16621 1 416 . 1 1 98 98 ASP CB C 13 40.934 . . 1 . . . . 90 D CB . 16621 1 417 . 1 1 98 98 ASP N N 15 123.123 . . 1 . . . . 90 D N . 16621 1 418 . 1 1 99 99 PRO C C 13 175.955 . . 1 . . . . 91 P C . 16621 1 419 . 1 1 99 99 PRO CA C 13 63.476 . . 1 . . . . 91 P CA . 16621 1 420 . 1 1 99 99 PRO CB C 13 31.152 . . 1 . . . . 91 P CB . 16621 1 421 . 1 1 100 100 TYR H H 1 8.068 . . 1 . . . . 92 Y HN . 16621 1 422 . 1 1 100 100 TYR C C 13 173.583 . . 1 . . . . 92 Y C . 16621 1 423 . 1 1 100 100 TYR CA C 13 58.605 . . 1 . . . . 92 Y CA . 16621 1 424 . 1 1 100 100 TYR CB C 13 37.433 . . 1 . . . . 92 Y CB . 16621 1 425 . 1 1 100 100 TYR N N 15 118.434 . . 1 . . . . 92 Y N . 16621 1 426 . 1 1 101 101 HIS H H 1 7.826 . . 1 . . . . 93 H HN . 16621 1 427 . 1 1 101 101 HIS CA C 13 57.033 . . 1 . . . . 93 H CA . 16621 1 428 . 1 1 101 101 HIS CB C 13 28.919 . . 1 . . . . 93 H CB . 16621 1 429 . 1 1 101 101 HIS N N 15 118.584 . . 1 . . . . 93 H N . 16621 1 430 . 1 1 102 102 VAL H H 1 7.705 . . 1 . . . . 94 V HN . 16621 1 431 . 1 1 102 102 VAL CA C 13 63.179 . . 1 . . . . 94 V CA . 16621 1 432 . 1 1 102 102 VAL CB C 13 31.569 . . 1 . . . . 94 V CB . 16621 1 433 . 1 1 102 102 VAL N N 15 119.820 . . 1 . . . . 94 V N . 16621 1 434 . 1 1 103 103 TYR H H 1 7.886 . . 1 . . . . 95 Y HN . 16621 1 435 . 1 1 103 103 TYR C C 13 173.544 . . 1 . . . . 95 Y C . 16621 1 436 . 1 1 103 103 TYR CA C 13 58.441 . . 1 . . . . 95 Y CA . 16621 1 437 . 1 1 103 103 TYR CB C 13 37.988 . . 1 . . . . 95 Y CB . 16621 1 438 . 1 1 103 103 TYR N N 15 121.600 . . 1 . . . . 95 Y N . 16621 1 439 . 1 1 104 104 ILE H H 1 7.689 . . 1 . . . . 96 I HN . 16621 1 440 . 1 1 104 104 ILE C C 13 173.819 . . 1 . . . . 96 I C . 16621 1 441 . 1 1 104 104 ILE CA C 13 61.177 . . 1 . . . . 96 I CA . 16621 1 442 . 1 1 104 104 ILE CB C 13 37.519 . . 1 . . . . 96 I CB . 16621 1 443 . 1 1 104 104 ILE N N 15 120.295 . . 1 . . . . 96 I N . 16621 1 444 . 1 1 105 105 LYS H H 1 7.871 . . 1 . . . . 97 K HN . 16621 1 445 . 1 1 105 105 LYS CA C 13 56.911 . . 1 . . . . 97 K CA . 16621 1 446 . 1 1 105 105 LYS CB C 13 31.743 . . 1 . . . . 97 K CB . 16621 1 447 . 1 1 105 105 LYS N N 15 123.117 . . 1 . . . . 97 K N . 16621 1 448 . 1 1 106 106 ASN H H 1 8.029 . . 1 . . . . 98 N HN . 16621 1 449 . 1 1 106 106 ASN C C 13 171.974 . . 1 . . . . 98 N C . 16621 1 450 . 1 1 106 106 ASN CA C 13 53.370 . . 1 . . . . 98 N CA . 16621 1 451 . 1 1 106 106 ASN CB C 13 38.161 . . 1 . . . . 98 N CB . 16621 1 452 . 1 1 106 106 ASN N N 15 118.281 . . 1 . . . . 98 N N . 16621 1 453 . 1 1 107 107 ARG H H 1 7.893 . . 1 . . . . 99 R HN . 16621 1 454 . 1 1 107 107 ARG CA C 13 56.061 . . 1 . . . . 99 R CA . 16621 1 455 . 1 1 107 107 ARG CB C 13 29.694 . . 1 . . . . 99 R CB . 16621 1 456 . 1 1 107 107 ARG N N 15 120.644 . . 1 . . . . 99 R N . 16621 1 457 . 1 1 108 108 VAL H H 1 7.687 . . 1 . . . . 100 V HN . 16621 1 458 . 1 1 108 108 VAL C C 13 173.067 . . 1 . . . . 100 V C . 16621 1 459 . 1 1 108 108 VAL CA C 13 61.869 . . 1 . . . . 100 V CA . 16621 1 460 . 1 1 108 108 VAL CB C 13 31.674 . . 1 . . . . 100 V CB . 16621 1 461 . 1 1 108 108 VAL N N 15 119.882 . . 1 . . . . 100 V N . 16621 1 462 . 1 1 109 109 SER H H 1 7.951 . . 1 . . . . 101 S HN . 16621 1 463 . 1 1 109 109 SER C C 13 169.940 . . 1 . . . . 101 S C . 16621 1 464 . 1 1 109 109 SER CA C 13 57.904 . . 1 . . . . 101 S CA . 16621 1 465 . 1 1 109 109 SER CB C 13 63.433 . . 1 . . . . 101 S CB . 16621 1 466 . 1 1 109 109 SER N N 15 117.969 . . 1 . . . . 101 S N . 16621 1 467 . 1 1 110 110 MET H H 1 8.118 . . 1 . . . . 102 M HN . 16621 1 468 . 1 1 110 110 MET C C 13 171.247 . . 1 . . . . 102 M C . 16621 1 469 . 1 1 110 110 MET CA C 13 55.477 . . 1 . . . . 102 M CA . 16621 1 470 . 1 1 110 110 MET CB C 13 32.293 . . 1 . . . . 102 M CB . 16621 1 471 . 1 1 110 110 MET N N 15 122.673 . . 1 . . . . 102 M N . 16621 1 472 . 1 1 111 111 ILE H H 1 7.362 . . 1 . . . . 103 I HN . 16621 1 473 . 1 1 111 111 ILE CA C 13 62.322 . . 1 . . . . 103 I CA . 16621 1 474 . 1 1 111 111 ILE CB C 13 38.707 . . 1 . . . . 103 I CB . 16621 1 475 . 1 1 111 111 ILE N N 15 124.604 . . 1 . . . . 103 I N . 16621 1 stop_ save_