data_15117 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15117 _Entry.Title ; Backbone H, C, N Chemical Shifts for Influenza A NS1 (1-73) Protein Bound to dsRNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-29 _Entry.Accession_date 2007-01-29 _Entry.Last_release_date 2008-02-11 _Entry.Original_release_date 2008-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone H, C, N Chemical Shifts for Influenza A NonStructural Protein 1 (NS1) (1-73) Bound to unlabeled dsRNA' _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 Cuifeng Yin . . . 15117 2 Gaetano Montelione . T. . 15117 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15117 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Northeast Structural Genomics Consortium' . 15117 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'influenza A virus' . 15117 'Non-structural Protein 1' . 15117 'protein-dsRNA complex' . 15117 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15117 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 15117 '15N chemical shifts' 87 15117 '1H chemical shifts' 88 15117 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 . . 2008-02-11 2007-01-29 original author . 15117 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4317 'Corresponding chemical shift data for free NS1A (1-73)' 15117 PDB 1ns1 'structure of dsRNA binding domain of NS1' 15117 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 15117 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17475623 _Citation.Full_citation . _Citation.Title ; Conserved surface features form the double-stranded RNA binding site of non-structural protein 1 (NS1) from influenza A and B viruses. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 28 _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 20584 _Citation.Page_last 20592 _Citation.Year 2007 _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 Cuifeng Yin . . . 15117 1 2 Javed Khan . A. . 15117 1 3 Gurla Swapna . V.T. . 15117 1 4 Asli Ertekin . . . 15117 1 5 Robert Krug . M. . 15117 1 6 Liang Tong . . . 15117 1 7 Gaetano Montelione . T. . 15117 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15117 _Assembly.ID 1 _Assembly.Name 'NS1A:dsRNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 18649.8 _Assembly.Enzyme_commission_number . _Assembly.Details 'NS1A (1-73) dimer in complex with dsRNA' _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 'NS1A_chain 1' 1 $NS1A A . yes native no no . . . 15117 1 2 'NS1A_chain 2' 1 $NS1A A . yes native no no . . . 15117 1 3 dsRNA 2 $stranded_RNA_1 A . no native no no . . . 15117 1 4 dsRNA 3 $stranded_RNA_2 A . no native no no . . . 15117 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 yes PDB 1AIL . . X-ray 1.90 'free, dimer' '1-70 residues of the same structure in dsRNA free form' 15117 1 yes PDB 1NS1 . . 'solution NMR' . 'free, dimer' 'solution structure of the same protein in dsRNA-free form' 15117 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS1A _Entity.Sf_category entity _Entity.Sf_framecode NS1A _Entity.Entry_ID 15117 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS1A _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 ; MDSNTVSSFQVDCFLWHVRK QVVDQELGDAPFLDRLRRDQ KSLRGRGSTLGLNIEAATHV GKQIVEKILKEES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal RNA binding domain of influenza A NonStuctural Protein 1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8297.416 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Mass is only for the monomeric protein component' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4317 . "Non-structural protein 1" . . . . . 100.00 73 100.00 100.00 7.20e-45 . . . . 15117 1 2 no PDB 1AIL . "N-Terminal Fragment Of Ns1 Protein From Influenza A Virus" . . . . . 98.63 73 100.00 100.00 4.29e-44 . . . . 15117 1 3 no PDB 1NS1 . "Rna-Binding Domain Of Non-Structural Protein 1 From Influenza Virus, Nmr, 16 Structures" . . . . . 98.63 73 100.00 100.00 8.70e-44 . . . . 15117 1 4 no DBJ BAA01428 . "NS1 protein [Influenza A virus (A/Aichi/2/68 (Ao))]" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 5 no EMBL CAA24288 . "NS1 protein [Influenza A virus (A/Udorn/8/1972(H3N2))]" . . . . . 100.00 237 100.00 100.00 1.51e-43 . . . . 15117 1 6 no EMBL CAC09426 . "nonstructural protein 1 [Influenza A virus (A/England/939/69 x A/PR/8/34)]" . . . . . 100.00 237 97.26 98.63 8.22e-42 . . . . 15117 1 7 no GB AAA43086 . "nonstructural protein 1 [Influenza A virus (A/Aichi/2/1968(H3N2))]" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 8 no GB AAA43515 . "non-structural protein NS1 [Influenza A virus (A/Alaska/6/1977(H3N2))]" . . . . . 100.00 237 97.26 100.00 2.84e-42 . . . . 15117 1 9 no GB AAA43688 . "nonstructural protein 1 [Influenza A virus (A/Wa-182(H3N2))]" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 10 no GB AAC36136 . "nonstructural protein [Influenza A virus (A/swine/Colorado/1/1977(H3N2))]" . . . . . 100.00 237 97.26 100.00 1.43e-42 . . . . 15117 1 11 no GB AAC36138 . "nonstructural protein [Influenza A virus (A/swine/Italy/1850/1977(H3N2))]" . . . . . 100.00 230 98.63 100.00 5.78e-43 . . . . 15117 1 12 no PRF 2005320B . "nonstructural protein 1 [Influenza A virus]" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 13 no PRF 2005320D . "nonstructural protein 1 [Influenza A virus]" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 14 no SP P03494 . "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" . . . . . 100.00 237 97.26 100.00 2.84e-42 . . . . 15117 1 15 no SP P03495 . "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" . . . . . 100.00 237 100.00 100.00 1.51e-43 . . . . 15117 1 16 no SP P69277 . "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 17 no SP P69278 . "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" . . . . . 100.00 237 97.26 98.63 6.49e-42 . . . . 15117 1 18 no SP Q1PUD3 . "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" . . . . . 100.00 237 98.63 100.00 1.14e-42 . . . . 15117 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protection of viral RNA against host cell defense mechanism' 15117 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15117 1 2 . ASP . 15117 1 3 . SER . 15117 1 4 . ASN . 15117 1 5 . THR . 15117 1 6 . VAL . 15117 1 7 . SER . 15117 1 8 . SER . 15117 1 9 . PHE . 15117 1 10 . GLN . 15117 1 11 . VAL . 15117 1 12 . ASP . 15117 1 13 . CYS . 15117 1 14 . PHE . 15117 1 15 . LEU . 15117 1 16 . TRP . 15117 1 17 . HIS . 15117 1 18 . VAL . 15117 1 19 . ARG . 15117 1 20 . LYS . 15117 1 21 . GLN . 15117 1 22 . VAL . 15117 1 23 . VAL . 15117 1 24 . ASP . 15117 1 25 . GLN . 15117 1 26 . GLU . 15117 1 27 . LEU . 15117 1 28 . GLY . 15117 1 29 . ASP . 15117 1 30 . ALA . 15117 1 31 . PRO . 15117 1 32 . PHE . 15117 1 33 . LEU . 15117 1 34 . ASP . 15117 1 35 . ARG . 15117 1 36 . LEU . 15117 1 37 . ARG . 15117 1 38 . ARG . 15117 1 39 . ASP . 15117 1 40 . GLN . 15117 1 41 . LYS . 15117 1 42 . SER . 15117 1 43 . LEU . 15117 1 44 . ARG . 15117 1 45 . GLY . 15117 1 46 . ARG . 15117 1 47 . GLY . 15117 1 48 . SER . 15117 1 49 . THR . 15117 1 50 . LEU . 15117 1 51 . GLY . 15117 1 52 . LEU . 15117 1 53 . ASN . 15117 1 54 . ILE . 15117 1 55 . GLU . 15117 1 56 . ALA . 15117 1 57 . ALA . 15117 1 58 . THR . 15117 1 59 . HIS . 15117 1 60 . VAL . 15117 1 61 . GLY . 15117 1 62 . LYS . 15117 1 63 . GLN . 15117 1 64 . ILE . 15117 1 65 . VAL . 15117 1 66 . GLU . 15117 1 67 . LYS . 15117 1 68 . ILE . 15117 1 69 . LEU . 15117 1 70 . LYS . 15117 1 71 . GLU . 15117 1 72 . GLU . 15117 1 73 . SER . 15117 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 15117 1 . ASP 2 2 15117 1 . SER 3 3 15117 1 . ASN 4 4 15117 1 . THR 5 5 15117 1 . VAL 6 6 15117 1 . SER 7 7 15117 1 . SER 8 8 15117 1 . PHE 9 9 15117 1 . GLN 10 10 15117 1 . VAL 11 11 15117 1 . ASP 12 12 15117 1 . CYS 13 13 15117 1 . PHE 14 14 15117 1 . LEU 15 15 15117 1 . TRP 16 16 15117 1 . HIS 17 17 15117 1 . VAL 18 18 15117 1 . ARG 19 19 15117 1 . LYS 20 20 15117 1 . GLN 21 21 15117 1 . VAL 22 22 15117 1 . VAL 23 23 15117 1 . ASP 24 24 15117 1 . GLN 25 25 15117 1 . GLU 26 26 15117 1 . LEU 27 27 15117 1 . GLY 28 28 15117 1 . ASP 29 29 15117 1 . ALA 30 30 15117 1 . PRO 31 31 15117 1 . PHE 32 32 15117 1 . LEU 33 33 15117 1 . ASP 34 34 15117 1 . ARG 35 35 15117 1 . LEU 36 36 15117 1 . ARG 37 37 15117 1 . ARG 38 38 15117 1 . ASP 39 39 15117 1 . GLN 40 40 15117 1 . LYS 41 41 15117 1 . SER 42 42 15117 1 . LEU 43 43 15117 1 . ARG 44 44 15117 1 . GLY 45 45 15117 1 . ARG 46 46 15117 1 . GLY 47 47 15117 1 . SER 48 48 15117 1 . THR 49 49 15117 1 . LEU 50 50 15117 1 . GLY 51 51 15117 1 . LEU 52 52 15117 1 . ASN 53 53 15117 1 . ILE 54 54 15117 1 . GLU 55 55 15117 1 . ALA 56 56 15117 1 . ALA 57 57 15117 1 . THR 58 58 15117 1 . HIS 59 59 15117 1 . VAL 60 60 15117 1 . GLY 61 61 15117 1 . LYS 62 62 15117 1 . GLN 63 63 15117 1 . ILE 64 64 15117 1 . VAL 65 65 15117 1 . GLU 66 66 15117 1 . LYS 67 67 15117 1 . ILE 68 68 15117 1 . LEU 69 69 15117 1 . LYS 70 70 15117 1 . GLU 71 71 15117 1 . GLU 72 72 15117 1 . SER 73 73 15117 1 stop_ save_ save_stranded_RNA_1 _Entity.Sf_category entity _Entity.Sf_framecode stranded_RNA_1 _Entity.Entry_ID 15117 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name stranded_RNA_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCAUCCUCUACAGGCG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . 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 . C . 15117 2 2 . C . 15117 2 3 . A . 15117 2 4 . U . 15117 2 5 . C . 15117 2 6 . C . 15117 2 7 . U . 15117 2 8 . C . 15117 2 9 . U . 15117 2 10 . A . 15117 2 11 . C . 15117 2 12 . A . 15117 2 13 . G . 15117 2 14 . G . 15117 2 15 . C . 15117 2 16 . G . 15117 2 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 . C 1 1 15117 2 . C 2 2 15117 2 . A 3 3 15117 2 . U 4 4 15117 2 . C 5 5 15117 2 . C 6 6 15117 2 . U 7 7 15117 2 . C 8 8 15117 2 . U 9 9 15117 2 . A 10 10 15117 2 . C 11 11 15117 2 . A 12 12 15117 2 . G 13 13 15117 2 . G 14 14 15117 2 . C 15 15 15117 2 . G 16 16 15117 2 stop_ save_ save_stranded_RNA_2 _Entity.Sf_category entity _Entity.Sf_framecode stranded_RNA_2 _Entity.Entry_ID 15117 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name stranded_RNA_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCAUCCUCUACAGGCG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . 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 . C . 15117 3 2 . C . 15117 3 3 . A . 15117 3 4 . U . 15117 3 5 . C . 15117 3 6 . C . 15117 3 7 . U . 15117 3 8 . C . 15117 3 9 . U . 15117 3 10 . A . 15117 3 11 . C . 15117 3 12 . A . 15117 3 13 . G . 15117 3 14 . G . 15117 3 15 . C . 15117 3 16 . G . 15117 3 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 . C 1 1 15117 3 . C 2 2 15117 3 . A 3 3 15117 3 . U 4 4 15117 3 . C 5 5 15117 3 . C 6 6 15117 3 . U 7 7 15117 3 . C 8 8 15117 3 . U 9 9 15117 3 . A 10 10 15117 3 . C 11 11 15117 3 . A 12 12 15117 3 . G 13 13 15117 3 . G 14 14 15117 3 . C 15 15 15117 3 . G 16 16 15117 3 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 15117 _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 $NS1A . 11320 virus . 'influenza A virus A/Udorn/72' 'influenza A virus A/Udorn/72' . . Viruses . 'Influenzavirus A' 'Influenza A virus' . . . . . . . . . . . . . . . . j02169 . . . . 15117 1 2 2 $stranded_RNA_1 . 11320 virus . 'influenza A virus A/Udorn/72' 'influenza A virus A/Udorn/72' . . Viruses . 'Influenzavirus A' 'Influenza A virus' . . . . . . . . . . . . . . . . j02169 . . . . 15117 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 15117 _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 $NS1A . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pET11a . . . . . . 15117 1 2 2 $stranded_RNA_1 . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pET11a . . . . . . 15117 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NS1A_(1-73) _Sample.Sf_category sample _Sample.Sf_framecode NS1A_(1-73) _Sample.Entry_ID 15117 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NS1A '[U-100% 13C; U-100% 15N]' . . 1 $NS1A . . 0.1 . . mM . . . . 15117 1 2 'ammonium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 15117 1 3 ds-RNA 'natural abundance' . . 2 $stranded_RNA_1 . . 0.2 . . mM . . . . 15117 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 15117 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.1 mM complex concentration' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 0.05 pH 15117 1 pressure 1 . atm 15117 1 temperature 293 0.1 K 15117 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15117 _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' ; National Institutes of Health NIDDK, LCP Building 5, Room B1-35 5 Center Dr MSC 0505 Bethesda, MD 20892-050 ; delaglio@nih.gov 15117 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15117 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15117 _Software.ID 2 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski, Montelione' . . 15117 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15117 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15117 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15117 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15117 3 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 15117 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15117 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15117 _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 . 600 . . . 15117 1 2 spectrometer_2 Varian INOVA . 600 . . . 15117 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 15117 _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 $NS1A_(1-73) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15117 1 2 '3D HNCO' no . . . . . . . . . . 1 $NS1A_(1-73) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15117 1 3 '3D HNCA' no . . . . . . . . . . 1 $NS1A_(1-73) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15117 1 4 '3D HNCACB' no . . . . . . . . . . 1 $NS1A_(1-73) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15117 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $NS1A_(1-73) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15117 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 15117 _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 . . . . . . . . . 15117 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 15117 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15117 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 15117 _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' . . . 15117 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $AutoAssign . . 15117 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.88 0.3 . 1 . . . . 1 Met C . 15117 1 2 . 1 1 1 1 MET CA C 13 54.42 0.3 . 1 . . . . 1 Met CA . 15117 1 3 . 1 1 1 1 MET CB C 13 32.50 0.3 . 1 . . . . 1 Met CB . 15117 1 4 . 1 1 2 2 ASP H H 1 8.82 0.04 . 6 . . . . 2 Asp H . 15117 1 5 . 1 1 2 2 ASP C C 13 176.98 0.3 . 1 . . . . 2 Asp C . 15117 1 6 . 1 1 2 2 ASP CA C 13 53.98 0.3 . 6 . . . . 2 Asp CA . 15117 1 7 . 1 1 2 2 ASP CB C 13 41.90 0.3 . 6 . . . . 2 Asp CB . 15117 1 8 . 1 1 2 2 ASP N N 15 124.55 0.2 . 6 . . . . 2 Asp N . 15117 1 9 . 1 1 3 3 SER H H 1 8.82 0.04 . 6 . . . . 3 Ser H . 15117 1 10 . 1 1 3 3 SER C C 13 177.35 0.3 . 6 . . . . 3 Ser C . 15117 1 11 . 1 1 3 3 SER CA C 13 60.42 0.3 . 6 . . . . 3 Ser CA . 15117 1 12 . 1 1 3 3 SER CB C 13 62.42 0.3 . 6 . . . . 3 Ser CB . 15117 1 13 . 1 1 3 3 SER N N 15 120.83 0.2 . 6 . . . . 3 Ser N . 15117 1 14 . 1 1 4 4 ASN H H 1 9.18 0.04 . 6 . . . . 4 Asn H . 15117 1 15 . 1 1 4 4 ASN C C 13 179.40 0.3 . 1 . . . . 4 Asn C . 15117 1 16 . 1 1 4 4 ASN CA C 13 54.49 0.3 . 1 . . . . 4 Asn CA . 15117 1 17 . 1 1 4 4 ASN CB C 13 35.25 0.3 . 1 . . . . 4 Asn CB . 15117 1 18 . 1 1 4 4 ASN N N 15 121.28 0.2 . 6 . . . . 4 Asn N . 15117 1 19 . 1 1 5 5 THR H H 1 8.06 0.04 . 1 . . . . 5 Thr H . 15117 1 20 . 1 1 5 5 THR C C 13 178.43 0.3 . 6 . . . . 5 Thr C . 15117 1 21 . 1 1 5 5 THR CA C 13 66.22 0.3 . 1 . . . . 5 Thr CA . 15117 1 22 . 1 1 5 5 THR N N 15 122.18 0.2 . 1 . . . . 5 Thr N . 15117 1 23 . 1 1 6 6 VAL H H 1 7.50 0.04 . 6 . . . . 6 Val H . 15117 1 24 . 1 1 6 6 VAL C C 13 178.52 0.3 . 6 . . . . 6 Val C . 15117 1 25 . 1 1 6 6 VAL CA C 13 67.68 0.3 . 6 . . . . 6 Val CA . 15117 1 26 . 1 1 6 6 VAL CB C 13 31.21 0.3 . 1 . . . . 6 Val CB . 15117 1 27 . 1 1 6 6 VAL N N 15 124.30 0.2 . 6 . . . . 6 Val N . 15117 1 28 . 1 1 7 7 SER H H 1 8.81 0.04 . 6 . . . . 7 Ser H . 15117 1 29 . 1 1 7 7 SER C C 13 178.20 0.3 . 6 . . . . 7 Ser C . 15117 1 30 . 1 1 7 7 SER CA C 13 61.31 0.3 . 6 . . . . 7 Ser CA . 15117 1 31 . 1 1 7 7 SER N N 15 115.34 0.2 . 6 . . . . 7 Ser N . 15117 1 32 . 1 1 8 8 SER H H 1 8.20 0.04 . 6 . . . . 8 Ser H . 15117 1 33 . 1 1 8 8 SER C C 13 175.63 0.3 . 6 . . . . 8 Ser C . 15117 1 34 . 1 1 8 8 SER CA C 13 63.19 0.3 . 6 . . . . 8 Ser CA . 15117 1 35 . 1 1 8 8 SER N N 15 117.01 0.2 . 6 . . . . 8 Ser N . 15117 1 36 . 1 1 9 9 PHE H H 1 7.35 0.04 . 6 . . . . 9 Phe H . 15117 1 37 . 1 1 9 9 PHE C C 13 178.30 0.3 . 1 . . . . 9 Phe C . 15117 1 38 . 1 1 9 9 PHE CA C 13 61.18 0.3 . 6 . . . . 9 Phe CA . 15117 1 39 . 1 1 9 9 PHE CB C 13 39.07 0.3 . 1 . . . . 9 Phe CB . 15117 1 40 . 1 1 9 9 PHE N N 15 121.24 0.2 . 6 . . . . 9 Phe N . 15117 1 41 . 1 1 10 10 GLN H H 1 8.65 0.04 . 1 . . . . 10 Gln H . 15117 1 42 . 1 1 10 10 GLN C C 13 179.92 0.3 . 1 . . . . 10 Gln C . 15117 1 43 . 1 1 10 10 GLN CA C 13 59.19 0.3 . 1 . . . . 10 Gln CA . 15117 1 44 . 1 1 10 10 GLN CB C 13 26.10 0.3 . 1 . . . . 10 Gln CB . 15117 1 45 . 1 1 10 10 GLN N N 15 120.15 0.2 . 1 . . . . 10 Gln N . 15117 1 46 . 1 1 11 11 VAL H H 1 8.75 0.04 . 1 . . . . 11 Val H . 15117 1 47 . 1 1 11 11 VAL C C 13 178.47 0.3 . 1 . . . . 11 Val C . 15117 1 48 . 1 1 11 11 VAL CA C 13 67.85 0.3 . 1 . . . . 11 Val CA . 15117 1 49 . 1 1 11 11 VAL CB C 13 30.95 0.3 . 1 . . . . 11 Val CB . 15117 1 50 . 1 1 11 11 VAL N N 15 119.46 0.2 . 1 . . . . 11 Val N . 15117 1 51 . 1 1 12 12 ASP H H 1 8.70 0.04 . 1 . . . . 12 Asp H . 15117 1 52 . 1 1 12 12 ASP C C 13 181.85 0.3 . 1 . . . . 12 Asp C . 15117 1 53 . 1 1 12 12 ASP CA C 13 58.10 0.3 . 1 . . . . 12 Asp CA . 15117 1 54 . 1 1 12 12 ASP CB C 13 39.47 0.3 . 1 . . . . 12 Asp CB . 15117 1 55 . 1 1 12 12 ASP N N 15 120.55 0.2 . 1 . . . . 12 Asp N . 15117 1 56 . 1 1 13 13 CYS H H 1 8.65 0.04 . 1 . . . . 13 Cys H . 15117 1 57 . 1 1 13 13 CYS C C 13 179.24 0.3 . 1 . . . . 13 Cys C . 15117 1 58 . 1 1 13 13 CYS CA C 13 64.61 0.3 . 1 . . . . 13 Cys CA . 15117 1 59 . 1 1 13 13 CYS CB C 13 26.12 0.3 . 1 . . . . 13 Cys CB . 15117 1 60 . 1 1 13 13 CYS N N 15 119.73 0.2 . 1 . . . . 13 Cys N . 15117 1 61 . 1 1 14 14 PHE H H 1 8.39 0.04 . 1 . . . . 14 Phe H . 15117 1 62 . 1 1 14 14 PHE C C 13 177.95 0.3 . 1 . . . . 14 Phe C . 15117 1 63 . 1 1 14 14 PHE CA C 13 61.89 0.3 . 1 . . . . 14 Phe CA . 15117 1 64 . 1 1 14 14 PHE CB C 13 38.17 0.3 . 1 . . . . 14 Phe CB . 15117 1 65 . 1 1 14 14 PHE N N 15 121.36 0.2 . 1 . . . . 14 Phe N . 15117 1 66 . 1 1 15 15 LEU H H 1 9.49 0.04 . 1 . . . . 15 Leu H . 15117 1 67 . 1 1 15 15 LEU C C 13 180.11 0.3 . 1 . . . . 15 Leu C . 15117 1 68 . 1 1 15 15 LEU CA C 13 57.92 0.3 . 1 . . . . 15 Leu CA . 15117 1 69 . 1 1 15 15 LEU CB C 13 38.87 0.3 . 1 . . . . 15 Leu CB . 15117 1 70 . 1 1 15 15 LEU N N 15 118.61 0.2 . 1 . . . . 15 Leu N . 15117 1 71 . 1 1 16 16 TRP H H 1 8.37 0.04 . 1 . . . . 16 Trp H . 15117 1 72 . 1 1 16 16 TRP C C 13 177.84 0.3 . 1 . . . . 16 Trp C . 15117 1 73 . 1 1 16 16 TRP CA C 13 63.60 0.3 . 1 . . . . 16 Trp CA . 15117 1 74 . 1 1 16 16 TRP CB C 13 28.79 0.3 . 1 . . . . 16 Trp CB . 15117 1 75 . 1 1 16 16 TRP N N 15 120.53 0.2 . 1 . . . . 16 Trp N . 15117 1 76 . 1 1 17 17 HIS H H 1 7.82 0.04 . 1 . . . . 17 His H . 15117 1 77 . 1 1 17 17 HIS C C 13 178.07 0.3 . 1 . . . . 17 His C . 15117 1 78 . 1 1 17 17 HIS CA C 13 59.80 0.3 . 1 . . . . 17 His CA . 15117 1 79 . 1 1 17 17 HIS CB C 13 27.23 0.3 . 1 . . . . 17 His CB . 15117 1 80 . 1 1 17 17 HIS N N 15 117.51 0.2 . 1 . . . . 17 His N . 15117 1 81 . 1 1 18 18 VAL H H 1 7.93 0.04 . 1 . . . . 18 Val H . 15117 1 82 . 1 1 18 18 VAL C C 13 178.53 0.3 . 1 . . . . 18 Val C . 15117 1 83 . 1 1 18 18 VAL CA C 13 66.70 0.3 . 1 . . . . 18 Val CA . 15117 1 84 . 1 1 18 18 VAL CB C 13 30.93 0.3 . 1 . . . . 18 Val CB . 15117 1 85 . 1 1 18 18 VAL N N 15 119.28 0.2 . 1 . . . . 18 Val N . 15117 1 86 . 1 1 19 19 ARG H H 1 7.94 0.04 . 1 . . . . 19 Arg H . 15117 1 87 . 1 1 19 19 ARG C C 13 178.56 0.3 . 1 . . . . 19 Arg C . 15117 1 88 . 1 1 19 19 ARG CA C 13 59.79 0.3 . 1 . . . . 19 Arg CA . 15117 1 89 . 1 1 19 19 ARG CB C 13 30.34 0.3 . 1 . . . . 19 Arg CB . 15117 1 90 . 1 1 19 19 ARG N N 15 119.16 0.2 . 1 . . . . 19 Arg N . 15117 1 91 . 1 1 20 20 LYS H H 1 8.34 0.04 . 1 . . . . 20 Lys H . 15117 1 92 . 1 1 20 20 LYS C C 13 179.08 0.3 . 1 . . . . 20 Lys C . 15117 1 93 . 1 1 20 20 LYS CA C 13 58.13 0.3 . 1 . . . . 20 Lys CA . 15117 1 94 . 1 1 20 20 LYS CB C 13 30.40 0.3 . 1 . . . . 20 Lys CB . 15117 1 95 . 1 1 20 20 LYS N N 15 121.54 0.2 . 1 . . . . 20 Lys N . 15117 1 96 . 1 1 21 21 GLN H H 1 7.54 0.04 . 1 . . . . 21 Gln H . 15117 1 97 . 1 1 21 21 GLN C C 13 179.50 0.3 . 1 . . . . 21 Gln C . 15117 1 98 . 1 1 21 21 GLN CA C 13 58.21 0.3 . 1 . . . . 21 Gln CA . 15117 1 99 . 1 1 21 21 GLN CB C 13 28.71 0.3 . 1 . . . . 21 Gln CB . 15117 1 100 . 1 1 21 21 GLN N N 15 118.15 0.2 . 1 . . . . 21 Gln N . 15117 1 101 . 1 1 22 22 VAL H H 1 7.79 0.04 . 1 . . . . 22 Val H . 15117 1 102 . 1 1 22 22 VAL C C 13 178.96 0.3 . 1 . . . . 22 Val C . 15117 1 103 . 1 1 22 22 VAL CA C 13 66.69 0.3 . 1 . . . . 22 Val CA . 15117 1 104 . 1 1 22 22 VAL CB C 13 30.60 0.3 . 1 . . . . 22 Val CB . 15117 1 105 . 1 1 22 22 VAL N N 15 120.64 0.2 . 1 . . . . 22 Val N . 15117 1 106 . 1 1 23 23 VAL H H 1 7.76 0.04 . 1 . . . . 23 Val H . 15117 1 107 . 1 1 23 23 VAL C C 13 182.22 0.3 . 1 . . . . 23 Val C . 15117 1 108 . 1 1 23 23 VAL CA C 13 65.81 0.3 . 1 . . . . 23 Val CA . 15117 1 109 . 1 1 23 23 VAL CB C 13 30.70 0.3 . 1 . . . . 23 Val CB . 15117 1 110 . 1 1 23 23 VAL N N 15 119.81 0.2 . 1 . . . . 23 Val N . 15117 1 111 . 1 1 24 24 ASP H H 1 8.89 0.04 . 1 . . . . 24 Asp H . 15117 1 112 . 1 1 24 24 ASP C C 13 178.97 0.3 . 1 . . . . 24 Asp C . 15117 1 113 . 1 1 24 24 ASP CA C 13 56.75 0.3 . 1 . . . . 24 Asp CA . 15117 1 114 . 1 1 24 24 ASP CB C 13 39.15 0.3 . 1 . . . . 24 Asp CB . 15117 1 115 . 1 1 24 24 ASP N N 15 125.00 0.2 . 1 . . . . 24 Asp N . 15117 1 116 . 1 1 25 25 GLN H H 1 7.68 0.04 . 1 . . . . 25 Gln H . 15117 1 117 . 1 1 25 25 GLN C C 13 175.19 0.3 . 1 . . . . 25 Gln C . 15117 1 118 . 1 1 25 25 GLN CA C 13 55.43 0.3 . 1 . . . . 25 Gln CA . 15117 1 119 . 1 1 25 25 GLN CB C 13 27.19 0.3 . 1 . . . . 25 Gln CB . 15117 1 120 . 1 1 25 25 GLN N N 15 117.65 0.2 . 1 . . . . 25 Gln N . 15117 1 121 . 1 1 26 26 GLU H H 1 8.13 0.04 . 1 . . . . 26 Glu H . 15117 1 122 . 1 1 26 26 GLU C C 13 176.89 0.3 . 1 . . . . 26 Glu C . 15117 1 123 . 1 1 26 26 GLU CA C 13 56.85 0.3 . 1 . . . . 26 Glu CA . 15117 1 124 . 1 1 26 26 GLU CB C 13 25.03 0.3 . 1 . . . . 26 Glu CB . 15117 1 125 . 1 1 26 26 GLU N N 15 113.15 0.2 . 1 . . . . 26 Glu N . 15117 1 126 . 1 1 27 27 LEU H H 1 7.28 0.04 . 6 . . . . 27 Leu H . 15117 1 127 . 1 1 27 27 LEU C C 13 177.66 0.3 . 6 . . . . 27 Leu C . 15117 1 128 . 1 1 27 27 LEU CA C 13 53.66 0.3 . 1 . . . . 27 Leu CA . 15117 1 129 . 1 1 27 27 LEU CB C 13 43.82 0.3 . 6 . . . . 27 Leu CB . 15117 1 130 . 1 1 27 27 LEU N N 15 115.50 0.2 . 6 . . . . 27 Leu N . 15117 1 131 . 1 1 28 28 GLY H H 1 7.80 0.04 . 6 . . . . 28 Gly H . 15117 1 132 . 1 1 28 28 GLY C C 13 175.31 0.3 . 1 . . . . 28 Gly C . 15117 1 133 . 1 1 28 28 GLY CA C 13 43.47 0.3 . 6 . . . . 28 Gly CA . 15117 1 134 . 1 1 28 28 GLY N N 15 104.06 0.2 . 6 . . . . 28 Gly N . 15117 1 135 . 1 1 29 29 ASP H H 1 8.15 0.04 . 1 . . . . 29 Asp H . 15117 1 136 . 1 1 29 29 ASP C C 13 176.38 0.3 . 1 . . . . 29 Asp C . 15117 1 137 . 1 1 29 29 ASP CA C 13 50.96 0.3 . 1 . . . . 29 Asp CA . 15117 1 138 . 1 1 29 29 ASP CB C 13 41.15 0.3 . 1 . . . . 29 Asp CB . 15117 1 139 . 1 1 29 29 ASP N N 15 124.80 0.2 . 1 . . . . 29 Asp N . 15117 1 140 . 1 1 30 30 ALA H H 1 8.88 0.04 . 1 . . . . 30 Ala H . 15117 1 141 . 1 1 30 30 ALA CA C 13 56.36 0.3 . 1 . . . . 30 Ala CA . 15117 1 142 . 1 1 30 30 ALA CB C 13 15.16 0.3 . 1 . . . . 30 Ala CB . 15117 1 143 . 1 1 30 30 ALA N N 15 121.05 0.2 . 1 . . . . 30 Ala N . 15117 1 144 . 1 1 31 31 PRO C C 13 179.06 0.3 . 1 . . . . 31 Pro C . 15117 1 145 . 1 1 31 31 PRO CA C 13 65.42 0.3 . 1 . . . . 31 Pro CA . 15117 1 146 . 1 1 31 31 PRO CB C 13 31.12 0.3 . 1 . . . . 31 Pro CB . 15117 1 147 . 1 1 32 32 PHE H H 1 8.01 0.04 . 1 . . . . 32 Phe H . 15117 1 148 . 1 1 32 32 PHE C C 13 181.16 0.3 . 1 . . . . 32 Phe C . 15117 1 149 . 1 1 32 32 PHE CA C 13 61.68 0.3 . 1 . . . . 32 Phe CA . 15117 1 150 . 1 1 32 32 PHE CB C 13 39.63 0.3 . 1 . . . . 32 Phe CB . 15117 1 151 . 1 1 32 32 PHE N N 15 119.96 0.2 . 1 . . . . 32 Phe N . 15117 1 152 . 1 1 33 33 LEU H H 1 8.19 0.04 . 1 . . . . 33 Leu H . 15117 1 153 . 1 1 33 33 LEU C C 13 179.90 0.3 . 1 . . . . 33 Leu C . 15117 1 154 . 1 1 33 33 LEU CA C 13 58.15 0.3 . 1 . . . . 33 Leu CA . 15117 1 155 . 1 1 33 33 LEU CB C 13 40.65 0.3 . 1 . . . . 33 Leu CB . 15117 1 156 . 1 1 33 33 LEU N N 15 123.12 0.2 . 1 . . . . 33 Leu N . 15117 1 157 . 1 1 34 34 ASP H H 1 8.66 0.04 . 1 . . . . 34 Asp H . 15117 1 158 . 1 1 34 34 ASP C C 13 182.08 0.3 . 1 . . . . 34 Asp C . 15117 1 159 . 1 1 34 34 ASP CA C 13 57.00 0.3 . 1 . . . . 34 Asp CA . 15117 1 160 . 1 1 34 34 ASP CB C 13 38.90 0.3 . 1 . . . . 34 Asp CB . 15117 1 161 . 1 1 34 34 ASP N N 15 121.47 0.2 . 1 . . . . 34 Asp N . 15117 1 162 . 1 1 35 35 ARG H H 1 8.31 0.04 . 1 . . . . 35 Arg H . 15117 1 163 . 1 1 35 35 ARG C C 13 178.72 0.3 . 1 . . . . 35 Arg C . 15117 1 164 . 1 1 35 35 ARG CA C 13 60.01 0.3 . 1 . . . . 35 Arg CA . 15117 1 165 . 1 1 35 35 ARG CB C 13 34.15 0.3 . 1 . . . . 35 Arg CB . 15117 1 166 . 1 1 35 35 ARG N N 15 120.72 0.2 . 1 . . . . 35 Arg N . 15117 1 167 . 1 1 36 36 LEU H H 1 7.85 0.04 . 6 . . . . 36 Leu H . 15117 1 168 . 1 1 36 36 LEU C C 13 181.97 0.3 . 6 . . . . 36 Leu C . 15117 1 169 . 1 1 36 36 LEU CA C 13 58.57 0.3 . 1 . . . . 36 Leu CA . 15117 1 170 . 1 1 36 36 LEU CB C 13 41.72 0.3 . 1 . . . . 36 Leu CB . 15117 1 171 . 1 1 36 36 LEU N N 15 122.98 0.2 . 6 . . . . 36 Leu N . 15117 1 172 . 1 1 37 37 ARG H H 1 8.34 0.04 . 6 . . . . 37 Arg H . 15117 1 173 . 1 1 37 37 ARG C C 13 180.28 0.3 . 1 . . . . 37 Arg C . 15117 1 174 . 1 1 37 37 ARG CA C 13 59.57 0.3 . 1 . . . . 37 Arg CA . 15117 1 175 . 1 1 37 37 ARG CB C 13 29.01 0.3 . 1 . . . . 37 Arg CB . 15117 1 176 . 1 1 37 37 ARG N N 15 119.29 0.2 . 6 . . . . 37 Arg N . 15117 1 177 . 1 1 38 38 ARG H H 1 7.65 0.04 . 6 . . . . 38 Arg H . 15117 1 178 . 1 1 38 38 ARG C C 13 180.70 0.3 . 1 . . . . 38 Arg C . 15117 1 179 . 1 1 38 38 ARG CA C 13 59.64 0.3 . 1 . . . . 38 Arg CA . 15117 1 180 . 1 1 38 38 ARG CB C 13 29.43 0.3 . 1 . . . . 38 Arg CB . 15117 1 181 . 1 1 38 38 ARG N N 15 122.08 0.2 . 6 . . . . 38 Arg N . 15117 1 182 . 1 1 39 39 ASP H H 1 8.72 0.04 . 1 . . . . 39 Asp H . 15117 1 183 . 1 1 39 39 ASP C C 13 178.41 0.3 . 1 . . . . 39 Asp C . 15117 1 184 . 1 1 39 39 ASP CA C 13 56.09 0.3 . 1 . . . . 39 Asp CA . 15117 1 185 . 1 1 39 39 ASP CB C 13 39.85 0.3 . 1 . . . . 39 Asp CB . 15117 1 186 . 1 1 39 39 ASP N N 15 120.31 0.2 . 1 . . . . 39 Asp N . 15117 1 187 . 1 1 40 40 GLN H H 1 8.27 0.04 . 1 . . . . 40 Gln H . 15117 1 188 . 1 1 40 40 GLN C C 13 179.16 0.3 . 1 . . . . 40 Gln C . 15117 1 189 . 1 1 40 40 GLN CA C 13 58.84 0.3 . 1 . . . . 40 Gln CA . 15117 1 190 . 1 1 40 40 GLN CB C 13 27.82 0.3 . 1 . . . . 40 Gln CB . 15117 1 191 . 1 1 40 40 GLN N N 15 121.91 0.2 . 1 . . . . 40 Gln N . 15117 1 192 . 1 1 41 41 LYS H H 1 7.10 0.04 . 1 . . . . 41 Lys H . 15117 1 193 . 1 1 41 41 LYS C C 13 180.53 0.3 . 6 . . . . 41 Lys C . 15117 1 194 . 1 1 41 41 LYS CA C 13 59.10 0.3 . 1 . . . . 41 Lys CA . 15117 1 195 . 1 1 41 41 LYS CB C 13 31.63 0.3 . 1 . . . . 41 Lys CB . 15117 1 196 . 1 1 41 41 LYS N N 15 118.33 0.2 . 1 . . . . 41 Lys N . 15117 1 197 . 1 1 42 42 SER H H 1 7.83 0.04 . 6 . . . . 42 Ser H . 15117 1 198 . 1 1 42 42 SER C C 13 178.50 0.3 . 1 . . . . 42 Ser C . 15117 1 199 . 1 1 42 42 SER CA C 13 60.74 0.3 . 6 . . . . 42 Ser CA . 15117 1 200 . 1 1 42 42 SER CB C 13 62.78 0.3 . 6 . . . . 42 Ser CB . 15117 1 201 . 1 1 42 42 SER N N 15 116.12 0.2 . 6 . . . . 42 Ser N . 15117 1 202 . 1 1 43 43 LEU H H 1 8.56 0.04 . 1 . . . . 43 Leu H . 15117 1 203 . 1 1 43 43 LEU C C 13 180.39 0.3 . 1 . . . . 43 Leu C . 15117 1 204 . 1 1 43 43 LEU CA C 13 57.85 0.3 . 1 . . . . 43 Leu CA . 15117 1 205 . 1 1 43 43 LEU CB C 13 41.11 0.3 . 1 . . . . 43 Leu CB . 15117 1 206 . 1 1 43 43 LEU N N 15 119.65 0.2 . 1 . . . . 43 Leu N . 15117 1 207 . 1 1 44 44 ARG H H 1 7.56 0.04 . 1 . . . . 44 Arg H . 15117 1 208 . 1 1 44 44 ARG C C 13 181.06 0.3 . 1 . . . . 44 Arg C . 15117 1 209 . 1 1 44 44 ARG CA C 13 59.34 0.3 . 1 . . . . 44 Arg CA . 15117 1 210 . 1 1 44 44 ARG CB C 13 29.09 0.3 . 1 . . . . 44 Arg CB . 15117 1 211 . 1 1 44 44 ARG N N 15 118.56 0.2 . 1 . . . . 44 Arg N . 15117 1 212 . 1 1 45 45 GLY H H 1 7.85 0.04 . 1 . . . . 45 Gly H . 15117 1 213 . 1 1 45 45 GLY C C 13 178.17 0.3 . 1 . . . . 45 Gly C . 15117 1 214 . 1 1 45 45 GLY CA C 13 47.22 0.3 . 1 . . . . 45 Gly CA . 15117 1 215 . 1 1 45 45 GLY N N 15 108.34 0.2 . 1 . . . . 45 Gly N . 15117 1 216 . 1 1 46 46 ARG H H 1 8.76 0.04 . 6 . . . . 46 Arg H . 15117 1 217 . 1 1 46 46 ARG C C 13 179.32 0.3 . 1 . . . . 46 Arg C . 15117 1 218 . 1 1 46 46 ARG CA C 13 59.65 0.3 . 1 . . . . 46 Arg CA . 15117 1 219 . 1 1 46 46 ARG CB C 13 32.36 0.3 . 1 . . . . 46 Arg CB . 15117 1 220 . 1 1 46 46 ARG N N 15 123.12 0.2 . 6 . . . . 46 Arg N . 15117 1 221 . 1 1 47 47 GLY H H 1 9.08 0.04 . 1 . . . . 47 Gly H . 15117 1 222 . 1 1 47 47 GLY C C 13 177.16 0.3 . 6 . . . . 47 Gly C . 15117 1 223 . 1 1 47 47 GLY CA C 13 47.91 0.3 . 1 . . . . 47 Gly CA . 15117 1 224 . 1 1 47 47 GLY N N 15 106.92 0.2 . 1 . . . . 47 Gly N . 15117 1 225 . 1 1 48 48 SER H H 1 7.96 0.04 . 6 . . . . 48 Ser H . 15117 1 226 . 1 1 48 48 SER C C 13 178.67 0.3 . 1 . . . . 48 Ser C . 15117 1 227 . 1 1 48 48 SER CA C 13 60.91 0.3 . 1 . . . . 48 Ser CA . 15117 1 228 . 1 1 48 48 SER CB C 13 62.02 0.3 . 1 . . . . 48 Ser CB . 15117 1 229 . 1 1 48 48 SER N N 15 116.65 0.2 . 6 . . . . 48 Ser N . 15117 1 230 . 1 1 49 49 THR H H 1 8.23 0.04 . 1 . . . . 49 Thr H . 15117 1 231 . 1 1 49 49 THR C C 13 176.97 0.3 . 6 . . . . 49 Thr C . 15117 1 232 . 1 1 49 49 THR CA C 13 66.14 0.3 . 1 . . . . 49 Thr CA . 15117 1 233 . 1 1 49 49 THR CB C 13 67.71 0.3 . 1 . . . . 49 Thr CB . 15117 1 234 . 1 1 49 49 THR N N 15 119.73 0.2 . 1 . . . . 49 Thr N . 15117 1 235 . 1 1 50 50 LEU H H 1 8.01 0.04 . 6 . . . . 50 Leu H . 15117 1 236 . 1 1 50 50 LEU C C 13 177.86 0.3 . 1 . . . . 50 Leu C . 15117 1 237 . 1 1 50 50 LEU CA C 13 55.11 0.3 . 6 . . . . 50 Leu CA . 15117 1 238 . 1 1 50 50 LEU CB C 13 42.30 0.3 . 1 . . . . 50 Leu CB . 15117 1 239 . 1 1 50 50 LEU N N 15 118.54 0.2 . 6 . . . . 50 Leu N . 15117 1 240 . 1 1 51 51 GLY H H 1 7.81 0.04 . 1 . . . . 51 Gly H . 15117 1 241 . 1 1 51 51 GLY C C 13 175.66 0.3 . 1 . . . . 51 Gly C . 15117 1 242 . 1 1 51 51 GLY CA C 13 45.85 0.3 . 1 . . . . 51 Gly CA . 15117 1 243 . 1 1 51 51 GLY N N 15 109.11 0.2 . 1 . . . . 51 Gly N . 15117 1 244 . 1 1 52 52 LEU H H 1 7.79 0.04 . 1 . . . . 52 Leu H . 15117 1 245 . 1 1 52 52 LEU C C 13 178.52 0.3 . 1 . . . . 52 Leu C . 15117 1 246 . 1 1 52 52 LEU CA C 13 52.54 0.3 . 1 . . . . 52 Leu CA . 15117 1 247 . 1 1 52 52 LEU CB C 13 44.53 0.3 . 1 . . . . 52 Leu CB . 15117 1 248 . 1 1 52 52 LEU N N 15 118.63 0.2 . 1 . . . . 52 Leu N . 15117 1 249 . 1 1 53 53 ASN H H 1 8.36 0.04 . 1 . . . . 53 Asn H . 15117 1 250 . 1 1 53 53 ASN C C 13 177.49 0.3 . 1 . . . . 53 Asn C . 15117 1 251 . 1 1 53 53 ASN CA C 13 52.80 0.3 . 1 . . . . 53 Asn CA . 15117 1 252 . 1 1 53 53 ASN CB C 13 40.11 0.3 . 1 . . . . 53 Asn CB . 15117 1 253 . 1 1 53 53 ASN N N 15 121.48 0.2 . 1 . . . . 53 Asn N . 15117 1 254 . 1 1 54 54 ILE H H 1 9.06 0.04 . 1 . . . . 54 Ile H . 15117 1 255 . 1 1 54 54 ILE C C 13 179.80 0.3 . 1 . . . . 54 Ile C . 15117 1 256 . 1 1 54 54 ILE CA C 13 65.13 0.3 . 1 . . . . 54 Ile CA . 15117 1 257 . 1 1 54 54 ILE CB C 13 37.85 0.3 . 1 . . . . 54 Ile CB . 15117 1 258 . 1 1 54 54 ILE N N 15 128.63 0.2 . 1 . . . . 54 Ile N . 15117 1 259 . 1 1 55 55 GLU H H 1 8.68 0.04 . 1 . . . . 55 Glu H . 15117 1 260 . 1 1 55 55 GLU C C 13 180.14 0.3 . 6 . . . . 55 Glu C . 15117 1 261 . 1 1 55 55 GLU CA C 13 60.41 0.3 . 1 . . . . 55 Glu CA . 15117 1 262 . 1 1 55 55 GLU CB C 13 27.92 0.3 . 1 . . . . 55 Glu CB . 15117 1 263 . 1 1 55 55 GLU N N 15 125.97 0.2 . 1 . . . . 55 Glu N . 15117 1 264 . 1 1 56 56 ALA H H 1 8.38 0.04 . 6 . . . . 56 Ala H . 15117 1 265 . 1 1 56 56 ALA C C 13 182.01 0.3 . 1 . . . . 56 Ala C . 15117 1 266 . 1 1 56 56 ALA CA C 13 54.57 0.3 . 6 . . . . 56 Ala CA . 15117 1 267 . 1 1 56 56 ALA CB C 13 17.55 0.3 . 6 . . . . 56 Ala CB . 15117 1 268 . 1 1 56 56 ALA N N 15 122.54 0.2 . 1 . . . . 56 Ala N . 15117 1 269 . 1 1 57 57 ALA H H 1 8.31 0.04 . 1 . . . . 57 Ala H . 15117 1 270 . 1 1 57 57 ALA C C 13 180.55 0.3 . 1 . . . . 57 Ala C . 15117 1 271 . 1 1 57 57 ALA CA C 13 54.86 0.3 . 1 . . . . 57 Ala CA . 15117 1 272 . 1 1 57 57 ALA CB C 13 19.94 0.3 . 1 . . . . 57 Ala CB . 15117 1 273 . 1 1 57 57 ALA N N 15 121.38 0.2 . 1 . . . . 57 Ala N . 15117 1 274 . 1 1 58 58 THR H H 1 8.43 0.04 . 1 . . . . 58 Thr H . 15117 1 275 . 1 1 58 58 THR C C 13 176.40 0.3 . 1 . . . . 58 Thr C . 15117 1 276 . 1 1 58 58 THR CA C 13 67.37 0.3 . 1 . . . . 58 Thr CA . 15117 1 277 . 1 1 58 58 THR CB C 13 68.45 0.3 . 1 . . . . 58 Thr CB . 15117 1 278 . 1 1 58 58 THR N N 15 115.47 0.2 . 1 . . . . 58 Thr N . 15117 1 279 . 1 1 59 59 HIS H H 1 7.32 0.04 . 1 . . . . 59 His H . 15117 1 280 . 1 1 59 59 HIS C C 13 178.20 0.3 . 1 . . . . 59 His C . 15117 1 281 . 1 1 59 59 HIS CA C 13 58.44 0.3 . 1 . . . . 59 His CA . 15117 1 282 . 1 1 59 59 HIS CB C 13 28.24 0.3 . 1 . . . . 59 His CB . 15117 1 283 . 1 1 59 59 HIS N N 15 118.39 0.2 . 1 . . . . 59 His N . 15117 1 284 . 1 1 60 60 VAL H H 1 7.45 0.04 . 1 . . . . 60 Val H . 15117 1 285 . 1 1 60 60 VAL C C 13 179.64 0.3 . 1 . . . . 60 Val C . 15117 1 286 . 1 1 60 60 VAL CA C 13 65.77 0.3 . 1 . . . . 60 Val CA . 15117 1 287 . 1 1 60 60 VAL CB C 13 31.23 0.3 . 1 . . . . 60 Val CB . 15117 1 288 . 1 1 60 60 VAL N N 15 119.66 0.2 . 1 . . . . 60 Val N . 15117 1 289 . 1 1 61 61 GLY H H 1 8.71 0.04 . 1 . . . . 61 Gly H . 15117 1 290 . 1 1 61 61 GLY C C 13 175.29 0.3 . 1 . . . . 61 Gly C . 15117 1 291 . 1 1 61 61 GLY CA C 13 46.70 0.3 . 1 . . . . 61 Gly CA . 15117 1 292 . 1 1 61 61 GLY N N 15 107.94 0.2 . 1 . . . . 61 Gly N . 15117 1 293 . 1 1 62 62 LYS H H 1 7.75 0.04 . 1 . . . . 62 Lys H . 15117 1 294 . 1 1 62 62 LYS C C 13 178.28 0.3 . 1 . . . . 62 Lys C . 15117 1 295 . 1 1 62 62 LYS CA C 13 58.80 0.3 . 1 . . . . 62 Lys CA . 15117 1 296 . 1 1 62 62 LYS CB C 13 32.29 0.3 . 1 . . . . 62 Lys CB . 15117 1 297 . 1 1 62 62 LYS N N 15 121.77 0.2 . 1 . . . . 62 Lys N . 15117 1 298 . 1 1 63 63 GLN H H 1 6.85 0.04 . 1 . . . . 63 Gln H . 15117 1 299 . 1 1 63 63 GLN C C 13 180.62 0.3 . 1 . . . . 63 Gln C . 15117 1 300 . 1 1 63 63 GLN CA C 13 58.12 0.3 . 1 . . . . 63 Gln CA . 15117 1 301 . 1 1 63 63 GLN CB C 13 27.68 0.3 . 1 . . . . 63 Gln CB . 15117 1 302 . 1 1 63 63 GLN N N 15 116.62 0.2 . 1 . . . . 63 Gln N . 15117 1 303 . 1 1 64 64 ILE H H 1 7.99 0.04 . 1 . . . . 64 Ile H . 15117 1 304 . 1 1 64 64 ILE C C 13 179.47 0.3 . 1 . . . . 64 Ile C . 15117 1 305 . 1 1 64 64 ILE CA C 13 64.94 0.3 . 1 . . . . 64 Ile CA . 15117 1 306 . 1 1 64 64 ILE CB C 13 38.58 0.3 . 1 . . . . 64 Ile CB . 15117 1 307 . 1 1 64 64 ILE N N 15 120.27 0.2 . 1 . . . . 64 Ile N . 15117 1 308 . 1 1 65 65 VAL H H 1 8.27 0.04 . 1 . . . . 65 Val H . 15117 1 309 . 1 1 65 65 VAL C C 13 178.40 0.3 . 1 . . . . 65 Val C . 15117 1 310 . 1 1 65 65 VAL CA C 13 66.48 0.3 . 1 . . . . 65 Val CA . 15117 1 311 . 1 1 65 65 VAL CB C 13 30.63 0.3 . 1 . . . . 65 Val CB . 15117 1 312 . 1 1 65 65 VAL N N 15 118.47 0.2 . 1 . . . . 65 Val N . 15117 1 313 . 1 1 66 66 GLU H H 1 8.91 0.04 . 1 . . . . 66 Glu H . 15117 1 314 . 1 1 66 66 GLU C C 13 179.96 0.3 . 1 . . . . 66 Glu C . 15117 1 315 . 1 1 66 66 GLU CA C 13 60.04 0.3 . 1 . . . . 66 Glu CA . 15117 1 316 . 1 1 66 66 GLU CB C 13 28.40 0.3 . 1 . . . . 66 Glu CB . 15117 1 317 . 1 1 66 66 GLU N N 15 119.18 0.2 . 1 . . . . 66 Glu N . 15117 1 318 . 1 1 67 67 LYS H H 1 7.37 0.04 . 1 . . . . 67 Lys H . 15117 1 319 . 1 1 67 67 LYS C C 13 179.74 0.3 . 1 . . . . 67 Lys C . 15117 1 320 . 1 1 67 67 LYS CA C 13 59.49 0.3 . 1 . . . . 67 Lys CA . 15117 1 321 . 1 1 67 67 LYS CB C 13 31.86 0.3 . 1 . . . . 67 Lys CB . 15117 1 322 . 1 1 67 67 LYS N N 15 119.19 0.2 . 1 . . . . 67 Lys N . 15117 1 323 . 1 1 68 68 ILE H H 1 7.37 0.04 . 1 . . . . 68 Ile H . 15117 1 324 . 1 1 68 68 ILE C C 13 179.98 0.3 . 1 . . . . 68 Ile C . 15117 1 325 . 1 1 68 68 ILE CA C 13 64.11 0.3 . 1 . . . . 68 Ile CA . 15117 1 326 . 1 1 68 68 ILE CB C 13 37.76 0.3 . 1 . . . . 68 Ile CB . 15117 1 327 . 1 1 68 68 ILE N N 15 119.81 0.2 . 1 . . . . 68 Ile N . 15117 1 328 . 1 1 69 69 LEU H H 1 8.40 0.04 . 1 . . . . 69 Leu H . 15117 1 329 . 1 1 69 69 LEU C C 13 180.53 0.3 . 1 . . . . 69 Leu C . 15117 1 330 . 1 1 69 69 LEU CA C 13 56.89 0.3 . 1 . . . . 69 Leu CA . 15117 1 331 . 1 1 69 69 LEU CB C 13 40.56 0.3 . 1 . . . . 69 Leu CB . 15117 1 332 . 1 1 69 69 LEU N N 15 118.79 0.2 . 1 . . . . 69 Leu N . 15117 1 333 . 1 1 70 70 LYS H H 1 7.91 0.04 . 1 . . . . 70 Lys H . 15117 1 334 . 1 1 70 70 LYS C C 13 179.07 0.3 . 1 . . . . 70 Lys C . 15117 1 335 . 1 1 70 70 LYS CA C 13 57.88 0.3 . 1 . . . . 70 Lys CA . 15117 1 336 . 1 1 70 70 LYS CB C 13 31.95 0.3 . 1 . . . . 70 Lys CB . 15117 1 337 . 1 1 70 70 LYS N N 15 119.44 0.2 . 1 . . . . 70 Lys N . 15117 1 338 . 1 1 71 71 GLU H H 1 7.72 0.04 . 1 . . . . 71 Glu H . 15117 1 339 . 1 1 71 71 GLU C C 13 177.69 0.3 . 1 . . . . 71 Glu C . 15117 1 340 . 1 1 71 71 GLU CA C 13 56.49 0.3 . 1 . . . . 71 Glu CA . 15117 1 341 . 1 1 71 71 GLU CB C 13 29.06 0.3 . 1 . . . . 71 Glu CB . 15117 1 342 . 1 1 71 71 GLU N N 15 117.74 0.2 . 1 . . . . 71 Glu N . 15117 1 343 . 1 1 72 72 GLU H H 1 7.70 0.04 . 1 . . . . 72 Glu H . 15117 1 344 . 1 1 72 72 GLU C C 13 176.63 0.3 . 1 . . . . 72 Glu C . 15117 1 345 . 1 1 72 72 GLU CA C 13 55.94 0.3 . 1 . . . . 72 Glu CA . 15117 1 346 . 1 1 72 72 GLU CB C 13 29.66 0.3 . 1 . . . . 72 Glu CB . 15117 1 347 . 1 1 72 72 GLU N N 15 119.54 0.2 . 1 . . . . 72 Glu N . 15117 1 348 . 1 1 73 73 SER H H 1 7.91 0.04 . 1 . . . . 73 Ser H . 15117 1 349 . 1 1 73 73 SER CA C 13 59.85 0.3 . 1 . . . . 73 Ser CA . 15117 1 350 . 1 1 73 73 SER CB C 13 64.08 0.3 . 1 . . . . 73 Ser CB . 15117 1 351 . 1 1 73 73 SER N N 15 122.69 0.2 . 1 . . . . 73 Ser N . 15117 1 352 . 2 1 2 2 ASP H H 1 8.96 0.04 . 6 . . . . 2 Asp H . 15117 1 353 . 2 1 2 2 ASP CA C 13 54.39 0.3 . 6 . . . . 2 Asp CA . 15117 1 354 . 2 1 2 2 ASP CB C 13 43.07 0.3 . 6 . . . . 2 Asp CB . 15117 1 355 . 2 1 2 2 ASP N N 15 126.28 0.2 . 6 . . . . 2 Asp N . 15117 1 356 . 2 1 3 3 SER H H 1 8.88 0.04 . 6 . . . . 3 Ser H . 15117 1 357 . 2 1 3 3 SER C C 13 177.91 0.3 . 6 . . . . 3 Ser C . 15117 1 358 . 2 1 3 3 SER CA C 13 61.37 0.3 . 6 . . . . 3 Ser CA . 15117 1 359 . 2 1 3 3 SER CB C 13 62.60 0.3 . 6 . . . . 3 Ser CB . 15117 1 360 . 2 1 3 3 SER N N 15 123.17 0.2 . 6 . . . . 3 Ser N . 15117 1 361 . 2 1 4 4 ASN H H 1 9.29 0.04 . 6 . . . . 4 Asn H . 15117 1 362 . 2 1 4 4 ASN N N 15 121.22 0.2 . 6 . . . . 4 Asn N . 15117 1 363 . 2 1 5 5 THR C C 13 178.34 0.3 . 6 . . . . 5 Thr C . 15117 1 364 . 2 1 6 6 VAL H H 1 7.55 0.04 . 6 . . . . 6 Val H . 15117 1 365 . 2 1 6 6 VAL C C 13 178.60 0.3 . 6 . . . . 6 Val C . 15117 1 366 . 2 1 6 6 VAL CA C 13 67.55 0.3 . 6 . . . . 6 Val CA . 15117 1 367 . 2 1 6 6 VAL N N 15 123.88 0.2 . 6 . . . . 6 Val N . 15117 1 368 . 2 1 7 7 SER H H 1 8.91 0.04 . 6 . . . . 7 Ser H . 15117 1 369 . 2 1 7 7 SER C C 13 178.21 0.3 . 6 . . . . 7 Ser C . 15117 1 370 . 2 1 7 7 SER CA C 13 61.41 0.3 . 6 . . . . 7 Ser CA . 15117 1 371 . 2 1 7 7 SER N N 15 115.49 0.2 . 6 . . . . 7 Ser N . 15117 1 372 . 2 1 8 8 SER H H 1 8.32 0.04 . 6 . . . . 8 Ser H . 15117 1 373 . 2 1 8 8 SER C C 13 175.70 0.3 . 6 . . . . 8 Ser C . 15117 1 374 . 2 1 8 8 SER CA C 13 62.99 0.3 . 6 . . . . 8 Ser CA . 15117 1 375 . 2 1 8 8 SER N N 15 116.97 0.2 . 6 . . . . 8 Ser N . 15117 1 376 . 2 1 9 9 PHE H H 1 7.41 0.04 . 6 . . . . 9 Phe H . 15117 1 377 . 2 1 9 9 PHE CA C 13 61.05 0.3 . 6 . . . . 9 Phe CA . 15117 1 378 . 2 1 9 9 PHE N N 15 121.31 0.2 . 6 . . . . 9 Phe N . 15117 1 379 . 2 1 27 27 LEU H H 1 7.34 0.04 . 6 . . . . 27 Leu H . 15117 1 380 . 2 1 27 27 LEU C C 13 177.71 0.3 . 6 . . . . 27 Leu C . 15117 1 381 . 2 1 27 27 LEU CB C 13 44.02 0.3 . 6 . . . . 27 Leu CB . 15117 1 382 . 2 1 27 27 LEU N N 15 115.53 0.2 . 6 . . . . 27 Leu N . 15117 1 383 . 2 1 28 28 GLY H H 1 7.85 0.04 . 6 . . . . 28 Gly H . 15117 1 384 . 2 1 28 28 GLY CA C 13 43.58 0.3 . 6 . . . . 28 Gly CA . 15117 1 385 . 2 1 28 28 GLY N N 15 104.00 0.2 . 6 . . . . 28 Gly N . 15117 1 386 . 2 1 36 36 LEU H H 1 7.90 0.04 . 6 . . . . 36 Leu H . 15117 1 387 . 2 1 36 36 LEU C C 13 181.96 0.3 . 6 . . . . 36 Leu C . 15117 1 388 . 2 1 36 36 LEU N N 15 122.89 0.2 . 6 . . . . 36 Leu N . 15117 1 389 . 2 1 37 37 ARG H H 1 8.40 0.04 . 6 . . . . 37 Arg H . 15117 1 390 . 2 1 37 37 ARG N N 15 119.31 0.2 . 6 . . . . 37 Arg N . 15117 1 391 . 2 1 38 38 ARG H H 1 7.77 0.04 . 6 . . . . 38 Arg H . 15117 1 392 . 2 1 38 38 ARG N N 15 122.24 0.2 . 6 . . . . 38 Arg N . 15117 1 393 . 2 1 41 41 LYS C C 13 180.54 0.3 . 6 . . . . 41 Lys C . 15117 1 394 . 2 1 42 42 SER H H 1 7.93 0.04 . 6 . . . . 42 Ser H . 15117 1 395 . 2 1 42 42 SER CA C 13 60.94 0.3 . 6 . . . . 42 Ser CA . 15117 1 396 . 2 1 42 42 SER CB C 13 62.43 0.3 . 6 . . . . 42 Ser CB . 15117 1 397 . 2 1 42 42 SER N N 15 116.22 0.2 . 6 . . . . 42 Ser N . 15117 1 398 . 2 1 46 46 ARG H H 1 8.58 0.04 . 6 . . . . 46 Arg H . 15117 1 399 . 2 1 46 46 ARG N N 15 122.61 0.2 . 6 . . . . 46 Arg N . 15117 1 400 . 2 1 47 47 GLY C C 13 177.18 0.3 . 6 . . . . 47 Gly C . 15117 1 401 . 2 1 48 48 SER H H 1 8.01 0.04 . 6 . . . . 48 Ser H . 15117 1 402 . 2 1 48 48 SER N N 15 116.76 0.2 . 6 . . . . 48 Ser N . 15117 1 403 . 2 1 49 49 THR C C 13 176.93 0.3 . 6 . . . . 49 Thr C . 15117 1 404 . 2 1 50 50 LEU H H 1 8.08 0.04 . 6 . . . . 50 Leu H . 15117 1 405 . 2 1 50 50 LEU CA C 13 54.95 0.3 . 6 . . . . 50 Leu CA . 15117 1 406 . 2 1 50 50 LEU N N 15 118.54 0.2 . 6 . . . . 50 Leu N . 15117 1 407 . 2 1 55 55 GLU C C 13 180.15 0.3 . 6 . . . . 55 Glu C . 15117 1 408 . 2 1 56 56 ALA H H 1 8.42 0.04 . 6 . . . . 56 Ala H . 15117 1 409 . 2 1 56 56 ALA CA C 13 54.64 0.3 . 6 . . . . 56 Ala CA . 15117 1 410 . 2 1 56 56 ALA CB C 13 17.65 0.3 . 6 . . . . 56 Ala CB . 15117 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 4 15117 1 1 352 15117 1 2 6 15117 1 2 353 15117 1 3 7 15117 1 3 354 15117 1 4 8 15117 1 4 355 15117 1 5 9 15117 1 5 356 15117 1 6 10 15117 1 6 357 15117 1 7 11 15117 1 7 358 15117 1 8 12 15117 1 8 359 15117 1 9 13 15117 1 9 360 15117 1 10 14 15117 1 10 361 15117 1 11 18 15117 1 11 362 15117 1 12 20 15117 1 12 363 15117 1 13 23 15117 1 13 364 15117 1 14 24 15117 1 14 365 15117 1 15 25 15117 1 15 366 15117 1 16 27 15117 1 16 367 15117 1 17 28 15117 1 17 368 15117 1 18 29 15117 1 18 369 15117 1 19 30 15117 1 19 370 15117 1 20 31 15117 1 20 371 15117 1 21 32 15117 1 21 372 15117 1 22 33 15117 1 22 373 15117 1 23 34 15117 1 23 374 15117 1 24 35 15117 1 24 375 15117 1 25 36 15117 1 25 376 15117 1 26 38 15117 1 26 377 15117 1 27 40 15117 1 27 378 15117 1 28 127 15117 1 28 380 15117 1 29 129 15117 1 29 381 15117 1 30 130 15117 1 30 382 15117 1 31 131 15117 1 31 383 15117 1 32 133 15117 1 32 384 15117 1 33 134 15117 1 33 385 15117 1 34 167 15117 1 34 386 15117 1 35 168 15117 1 35 387 15117 1 36 171 15117 1 36 388 15117 1 37 172 15117 1 37 389 15117 1 38 176 15117 1 38 390 15117 1 39 177 15117 1 39 391 15117 1 40 181 15117 1 40 392 15117 1 41 193 15117 1 41 393 15117 1 42 197 15117 1 42 394 15117 1 43 199 15117 1 43 395 15117 1 44 200 15117 1 44 396 15117 1 45 201 15117 1 45 397 15117 1 46 216 15117 1 46 398 15117 1 47 220 15117 1 47 399 15117 1 48 222 15117 1 48 400 15117 1 49 225 15117 1 49 401 15117 1 50 229 15117 1 50 402 15117 1 51 231 15117 1 51 403 15117 1 52 235 15117 1 52 404 15117 1 53 237 15117 1 53 405 15117 1 54 239 15117 1 54 406 15117 1 55 260 15117 1 55 407 15117 1 56 264 15117 1 56 408 15117 1 57 266 15117 1 57 409 15117 1 58 267 15117 1 58 410 15117 1 59 126 15117 1 59 379 15117 1 stop_ save_