data_16597 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16597 _Entry.Title ; Influenza Virus Fusion Peptide in Membranes without Cholesterol at pH 5.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-04 _Entry.Accession_date 2009-11-04 _Entry.Last_release_date 2009-11-09 _Entry.Original_release_date 2009-11-09 _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 SOLID-STATE _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 David Weliky . P. . 16597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 63 16597 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 . . 2009-11-09 2009-11-04 original author . 16597 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16595 'HIV Fusion Peptide in Cholesterol-Rich Membranes' 16597 stop_ save_ ############### # Citations # ############### save_Sun_JACS _Citation.Sf_category citations _Citation.Sf_framecode Sun_JACS _Citation.Entry_ID 16597 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/ja905198q _Citation.PubMed_ID 19711890 _Citation.Full_citation . _Citation.Title 'C13-C13 Correlation Spectroscopy of Membrane-Associated Influenza Virus Fusion Peptide Strongly Supports a Helix-Turn-Helix Motif and Two Turn Conformations' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue 37 _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 13228 _Citation.Page_last 13229 _Citation.Year 2009 _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 Yan Sun . . . 16597 1 2 David Weliky . P. . 16597 1 stop_ save_ save_Bodner_JCP _Citation.Sf_category citations _Citation.Sf_framecode Bodner_JCP _Citation.Entry_ID 16597 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1063/1.2829984 _Citation.PubMed_ID 18266436 _Citation.Full_citation . _Citation.Title 'C13-C13 and N15-C13 correlation spectroscopy of membrane-associated and uniformly labeled human immunodeficiency virus and influenza fusion peptides: Amino acid-type assignments and evidence for multiple conformations' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Chem. Phys.' _Citation.Journal_name_full . _Citation.Journal_volume 128 _Citation.Journal_issue 5 _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 052319 _Citation.Page_last . _Citation.Year 2008 _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 Michele Bodner . L. . 16597 2 2 Charles Gabrys . M. . 16597 2 3 Jochem Struppe . O. . 16597 2 4 David Weliky . P. . 16597 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16597 _Assembly.ID 1 _Assembly.Name 'Membrane-Associated Influenza Virus Fusion Peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Influenza Virus Fusion Peptide, conformer 1' 1 $Influenza_Fusion_Peptide A . yes native yes no . . . 16597 1 2 'Influenza Virus Fusion Peptide, conformer 2' 1 $Influenza_Fusion_Peptide B . yes native yes no . . . 16597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Influenza_Fusion_Peptide _Entity.Sf_category entity _Entity.Sf_framecode Influenza_Fusion_Peptide _Entity.Entry_ID 16597 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Influenza_Fusion_Peptide _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 ; GLFGAIAGFIENGWEGMIDG GGKKKKG ; _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 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EO8 . "Influenza Virus Hemagglutinin Complexed With A Neutralizing Antibody" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 2 no PDB 1HA0 . "Hemagglutinin Precursor Ha0" . . . . . 74.07 494 100.00 100.00 9.57e-05 . . . . 16597 1 3 no PDB 1HGD . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 4 no PDB 1HGE . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 5 no PDB 1HGF . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 6 no PDB 1HGG . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 7 no PDB 1HGH . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 8 no PDB 1HGI . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 9 no PDB 1HGJ . "Binding Of Influenza Virus Hemagglutinin To Analogs Of Its Cell- Surface Receptor, Sialic Acid: Analysis By Proton Nuclear Magn" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 10 no PDB 1IBN . "Nmr Structure Of Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" . . . . . 70.37 20 100.00 100.00 9.15e-03 . . . . 16597 1 11 no PDB 1IBO . "Nmr Structure Of Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 7.4" . . . . . 70.37 20 100.00 100.00 9.15e-03 . . . . 16597 1 12 no PDB 1KEN . "Influenza Virus Hemagglutinin Complexed With An Antibody That Prevents The Hemagglutinin Low Ph Fusogenic Transition" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 13 no PDB 1MQL . "Bha Of Ukr63" . . . . . 74.07 221 100.00 100.00 2.41e-03 . . . . 16597 1 14 no PDB 1MQM . BhaLSTA . . . . . 74.07 221 100.00 100.00 2.41e-03 . . . . 16597 1 15 no PDB 1MQN . BhaLSTC . . . . . 74.07 221 100.00 100.00 2.41e-03 . . . . 16597 1 16 no PDB 1QFU . "Influenza Virus Hemagglutinin Complexed With A Neutralizing Antibody" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 17 no PDB 1XOO . "Nmr Structure Of G1s Mutant Of Influenza Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" . . . . . 70.37 20 100.00 100.00 7.28e-03 . . . . 16597 1 18 no PDB 1XOP . "Nmr Structure Of G1v Mutant Of Influenza Hemagglutinin Fusion Peptide In Dpc Micelles At Ph 5" . . . . . 70.37 20 100.00 100.00 7.99e-03 . . . . 16597 1 19 no PDB 2HMG . "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 20 no PDB 2VIU . "Influenza Virus Hemagglutinin" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 21 no PDB 2YPG . "Haemagglutinin Of 1968 Human H3n2 Virus In Complex With Human Receptor Analogue Lstc" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 22 no PDB 3EYM . "Structure Of Influenza Haemagglutinin In Complex With An Inhibitor Of Membrane Fusion" . . . . . 74.07 172 100.00 100.00 7.65e-04 . . . . 16597 1 23 no PDB 3HMG . "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 24 no PDB 3SDY . "Crystal Structure Of Broadly Neutralizing Antibody Cr8020 Bound To The Influenza A H3 Hemagglutinin" . . . . . 74.07 176 100.00 100.00 9.15e-04 . . . . 16597 1 25 no PDB 3VUN . "Crystal Structure Of A Influenza A Virus (AAICHI21968 H3N2) Hemagglutinin In C2 Space Group." . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 26 no PDB 3WHE . "A New Conserved Neutralizing Epitope At The Globular Head Of Hemagglutinin In H3n2 Influenza Viruses" . . . . . 74.07 493 100.00 100.00 9.56e-05 . . . . 16597 1 27 no PDB 3ZTJ . "Structure Of Influenza A Neutralizing Antibody Selected From Cultures Of Single Human Plasma Cells In Complex With Human H3 Inf" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 28 no PDB 4FNK . "Crystal Structure Of The AHONG KONG11968 (H3N2) INFLUENZA VIRUS Hemagglutinin" . . . . . 74.07 174 100.00 100.00 9.15e-04 . . . . 16597 1 29 no PDB 4FQR . "Crystal Structure Of Broadly Neutralizing Antibody C05 Bound To H3 Influenza Hemagglutinin" . . . . . 74.07 174 100.00 100.00 9.15e-04 . . . . 16597 1 30 no PDB 4FQY . "Crystal Structure Of Broadly Neutralizing Antibody Cr9114 Bound To H3 Influenza Hemagglutinin" . . . . . 74.07 174 100.00 100.00 9.15e-04 . . . . 16597 1 31 no PDB 4HMG . "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 32 no PDB 4NM8 . "Crystal Structure Of Broadly Neutralizing Antibody Cr8043 Bound To H3 Influenza Hemagglutinin" . . . . . 74.07 176 100.00 100.00 9.15e-04 . . . . 16597 1 33 no PDB 4UBD . "Crystal Structure Of A Neutralizing Human Monoclonal Antibody With 1968 H3 Ha" . . . . . 74.07 175 100.00 100.00 8.91e-04 . . . . 16597 1 34 no PDB 4WA1 . "The Crystal Structure Of Hemagglutinin From A H3n8 Influenza Virus Isolated From New England Harbor Seals" . . . . . 74.07 496 100.00 100.00 9.06e-05 . . . . 16597 1 35 no PDB 4WA2 . "The Crystal Structure Of Hemagglutinin From A H3n8 Influenza Virus Isolated From New England Harbor Seals In Complex With 3'sln" . . . . . 74.07 496 100.00 100.00 9.06e-05 . . . . 16597 1 36 no PDB 4WE4 . "The Crystal Structure Of Hemagglutinin From 1968 H3n2 Influenza Virus" . . . . . 74.07 172 100.00 100.00 7.57e-04 . . . . 16597 1 37 no PDB 4ZCJ . "Crystal Structure Of The A/hong Kong/1/1968 (h3n2) Influenza Virus Hemagglutinin Ha1 Cys30, Ha2 Cys47 Mutant" . . . . . 74.07 176 100.00 100.00 1.02e-03 . . . . 16597 1 38 no PDB 5HMG . "Refinement Of The Influenza Virus Hemagglutinin By Simulated Annealing" . . . . . 74.07 175 100.00 100.00 9.01e-04 . . . . 16597 1 39 no DBJ BAA00769 . "hemagglutinin, partial [Influenza A virus (A/DK/HK/7/1975(H3))]" . . . . . 74.07 550 100.00 100.00 1.76e-04 . . . . 16597 1 40 no DBJ BAA00770 . "hemagglutinin, partial [Influenza A virus (A/Gs/HK/10/1976(H3))]" . . . . . 74.07 550 100.00 100.00 1.51e-04 . . . . 16597 1 41 no DBJ BAA00771 . "hemagglutinin, partial [Influenza A virus (A/duck/Hong Kong/64/76(H3))]" . . . . . 74.07 550 100.00 100.00 1.37e-04 . . . . 16597 1 42 no DBJ BAA00772 . "hemagglutinin, partial [Influenza A virus (A/duck/Hong Kong/231/77(H3))]" . . . . . 70.37 550 100.00 100.00 6.58e-04 . . . . 16597 1 43 no DBJ BAF33059 . "haemagglutinin [Influenza A virus (A/Duck/Hokkaido/8/80 (H3N8))] [Influenza A virus (A/duck/Hokkaido/8/1980(H3N8))]" . . . . . 74.07 566 100.00 100.00 1.39e-04 . . . . 16597 1 44 no EMBL CAA24269 . "haemagglutinin [Influenza A virus (A/Aichi/2/1968(H3N2))]" . . . . . 74.07 566 100.00 100.00 1.30e-04 . . . . 16597 1 45 no EMBL CAA24271 . "unnamed protein product [Influenza A virus (A/duck/Ukraine/1/1963(H3N8))]" . . . . . 74.07 566 100.00 100.00 1.19e-04 . . . . 16597 1 46 no EMBL CAA24273 . "haemagglutinin, partial [Influenza A virus (A/Memphis/102/1972(H3N2))]" . . . . . 74.07 550 100.00 100.00 2.54e-04 . . . . 16597 1 47 no EMBL CAA24291 . "haemagluttinin, partial [Influenza A virus (A/NT/60/68/29c(H3N2))]" . . . . . 74.07 221 100.00 100.00 2.44e-03 . . . . 16597 1 48 no EMBL CAC18525 . "haemagglutinin [Influenza A virus (A/England/939/69(H3N2)) x (A/PR/8/34(H1N1))]" . . . . . 74.07 566 100.00 100.00 1.25e-04 . . . . 16597 1 49 no GB AAA43143 . "hemagglutinin precursor, partial [Influenza A virus (A/duck/5/1977(H3))]" . . . . . 74.07 550 100.00 100.00 1.28e-04 . . . . 16597 1 50 no GB AAA43144 . "hemagglutinin precursor, partial [Influenza A virus (A/duck/8/1980(H3))]" . . . . . 74.07 550 100.00 100.00 1.44e-04 . . . . 16597 1 51 no GB AAA43145 . "hemagglutinin precursor, partial [Influenza A virus (A/duck/33/1980(H3))]" . . . . . 74.07 550 100.00 100.00 1.53e-04 . . . . 16597 1 52 no GB AAA43146 . "hemagglutinin precursor, partial [Influenza A virus (A/duck/7/1982(H3))]" . . . . . 74.07 550 100.00 100.00 1.05e-04 . . . . 16597 1 53 no GB AAA43147 . "hemagglutinin precursor, partial [Influenza A virus (A/duck/21/1982(H3))]" . . . . . 74.07 550 100.00 100.00 1.23e-04 . . . . 16597 1 54 no PIR HMIV15 . "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/10/85) (fragment) [Influenza A virus]" . . . . . 74.07 550 100.00 100.00 1.18e-04 . . . . 16597 1 55 no PIR HMIV33 . "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/33/80) (fragment) [Influenza A virus]" . . . . . 74.07 550 100.00 100.00 1.53e-04 . . . . 16597 1 56 no PIR HMIV77 . "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/5/77) (fragment) [Influenza A virus]" . . . . . 74.07 550 100.00 100.00 1.28e-04 . . . . 16597 1 57 no PIR HMIV89 . "hemagglutinin precursor - influenza A virus (strain A/duck/ Hokkaido/7/82) (fragment) [Influenza A virus]" . . . . . 74.07 550 100.00 100.00 1.05e-04 . . . . 16597 1 58 no PIR HMIVDU . "hemagglutinin precursor - influenza A virus (strain A/duck/ Ukraine/63) [Influenza A virus]" . . . . . 74.07 566 100.00 100.00 1.19e-04 . . . . 16597 1 59 no PRF 0609236A . "hemagglutinin [Influenza A virus]" . . . . . 74.07 566 100.00 100.00 1.30e-04 . . . . 16597 1 60 no PRF 0704243B . "hemagglutinin HA2 [Influenza A virus]" . . . . . 74.07 188 100.00 100.00 1.07e-03 . . . . 16597 1 61 no SP P03436 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 74.07 566 100.00 100.00 1.06e-04 . . . . 16597 1 62 no SP P03437 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 74.07 566 100.00 100.00 1.30e-04 . . . . 16597 1 63 no SP P03438 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 74.07 566 100.00 100.00 8.86e-05 . . . . 16597 1 64 no SP P03439 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 74.07 566 100.00 100.00 2.19e-04 . . . . 16597 1 65 no SP P03442 . "RecName: Full=Hemagglutinin; Contains: RecName: Full=Hemagglutinin HA1 chain; Contains: RecName: Full=Hemagglutinin HA2 chain; " . . . . . 74.07 566 100.00 100.00 1.19e-04 . . . . 16597 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16597 1 2 . LEU . 16597 1 3 . PHE . 16597 1 4 . GLY . 16597 1 5 . ALA . 16597 1 6 . ILE . 16597 1 7 . ALA . 16597 1 8 . GLY . 16597 1 9 . PHE . 16597 1 10 . ILE . 16597 1 11 . GLU . 16597 1 12 . ASN . 16597 1 13 . GLY . 16597 1 14 . TRP . 16597 1 15 . GLU . 16597 1 16 . GLY . 16597 1 17 . MET . 16597 1 18 . ILE . 16597 1 19 . ASP . 16597 1 20 . GLY . 16597 1 21 . GLY . 16597 1 22 . GLY . 16597 1 23 . LYS . 16597 1 24 . LYS . 16597 1 25 . LYS . 16597 1 26 . LYS . 16597 1 27 . GLY . 16597 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16597 1 . LEU 2 2 16597 1 . PHE 3 3 16597 1 . GLY 4 4 16597 1 . ALA 5 5 16597 1 . ILE 6 6 16597 1 . ALA 7 7 16597 1 . GLY 8 8 16597 1 . PHE 9 9 16597 1 . ILE 10 10 16597 1 . GLU 11 11 16597 1 . ASN 12 12 16597 1 . GLY 13 13 16597 1 . TRP 14 14 16597 1 . GLU 15 15 16597 1 . GLY 16 16 16597 1 . MET 17 17 16597 1 . ILE 18 18 16597 1 . ASP 19 19 16597 1 . GLY 20 20 16597 1 . GLY 21 21 16597 1 . GLY 22 22 16597 1 . LYS 23 23 16597 1 . LYS 24 24 16597 1 . LYS 25 25 16597 1 . LYS 26 26 16597 1 . GLY 27 27 16597 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 16597 _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 $Influenza_Fusion_Peptide . 11309 virus . 'Influenza Virus' 'Influenza Virus' . . Viruses . Influenza Virus . . . . . . . . . . . . . . . . . . . . . 16597 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 16597 _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 $Influenza_Fusion_Peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16597 _Sample.ID 1 _Sample.Type membrane _Sample.Sub_type . _Sample.Details 'The membrane composition: Di-O-tetradecylphosphatidylcholine:Di-O-tetradecylphosphatidylglycerol (4:1).' _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 'Influenza Fusion Peptide' '[U-99% 13C; U-99% 15N]' . . 1 $Influenza_Fusion_Peptide . . 20 . . mM . . . . 16597 1 2 DTPC 'natural abundance' . . . . . . 400 . . mM . . . . 16597 1 3 DTPG 'natural abundance' . . . . . . 100 . . mM . . . . 16597 1 4 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 16597 1 5 MES 'natural abundance' . . . . . . 5 . . mM . . . . 16597 1 6 H2O 'natural abundance' . . . . . . 27 . . M . . . . 16597 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 16597 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 16597 1 pH 5.0 . pH 16597 1 pressure 1 . atm 16597 1 temperature 233 . K 16597 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16597 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16597 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16597 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16597 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 16597 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Infinity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 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 16597 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Infinity Plus' . 400 . . . 16597 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 16597 _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 13C-13C spin diffusion' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16597 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 16597 _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 adamantane 'methylene carbon' . . . . ppm 40.5 external direct 1.0 . . . . . . . . . 16597 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 16597 _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 13C-13C spin diffusion' . . . 16597 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 1 $NMRPipe . . 16597 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 171.2 0.5 . 1 . . . . 1 GLY C . 16597 1 2 . 1 1 1 1 GLY CA C 13 43.6 0.5 . 5 . . . . 1 GLY CA . 16597 1 3 . 1 1 2 2 LEU C C 13 177.5 0.5 . 1 . . . . 2 LEU C . 16597 1 4 . 1 1 2 2 LEU CA C 13 58.7 0.5 . 1 . . . . 2 LEU CA . 16597 1 5 . 1 1 2 2 LEU CB C 13 42.4 0.5 . 1 . . . . 2 LEU CB . 16597 1 6 . 1 1 2 2 LEU CD1 C 13 15.6 0.5 . 2 . . . . 2 LEU CD1 . 16597 1 7 . 1 1 2 2 LEU CD2 C 13 15.6 0.5 . 2 . . . . 2 LEU CD2 . 16597 1 8 . 1 1 2 2 LEU CG C 13 26.7 0.5 . 1 . . . . 2 LEU CG . 16597 1 9 . 1 1 3 3 PHE C C 13 178.1 0.5 . 1 . . . . 3 PHE C . 16597 1 10 . 1 1 3 3 PHE CA C 13 60.5 0.5 . 5 . . . . 3 PHE CA . 16597 1 11 . 1 1 3 3 PHE CB C 13 39.7 0.5 . 5 . . . . 3 PHE CB . 16597 1 12 . 1 1 3 3 PHE CD1 C 13 131.8 0.5 . 3 . . . . 3 PHE CD1 . 16597 1 13 . 1 1 3 3 PHE CD2 C 13 131.8 0.5 . 3 . . . . 3 PHE CD2 . 16597 1 14 . 1 1 3 3 PHE CE1 C 13 131.8 0.5 . 3 . . . . 3 PHE CE1 . 16597 1 15 . 1 1 3 3 PHE CE2 C 13 131.8 0.5 . 3 . . . . 3 PHE CE2 . 16597 1 16 . 1 1 3 3 PHE CZ C 13 131.8 0.5 . 1 . . . . 3 PHE CZ . 16597 1 17 . 1 1 4 4 GLY C C 13 175.9 0.5 . 5 . . . . 4 GLY C . 16597 1 18 . 1 1 4 4 GLY CA C 13 47.4 0.5 . 5 . . . . 4 GLY CA . 16597 1 19 . 1 1 5 5 ALA C C 13 179.5 0.5 . 1 . . . . 5 ALA C . 16597 1 20 . 1 1 5 5 ALA CA C 13 55.5 0.5 . 5 . . . . 5 ALA CA . 16597 1 21 . 1 1 5 5 ALA CB C 13 18.6 0.5 . 5 . . . . 5 ALA CB . 16597 1 22 . 1 1 6 6 ILE C C 13 177.8 0.5 . 1 . . . . 6 ILE C . 16597 1 23 . 1 1 6 6 ILE CA C 13 65.6 0.5 . 1 . . . . 6 ILE CA . 16597 1 24 . 1 1 6 6 ILE CB C 13 38.1 0.5 . 1 . . . . 6 ILE CB . 16597 1 25 . 1 1 6 6 ILE CD1 C 13 14.7 0.5 . 1 . . . . 6 ILE CD1 . 16597 1 26 . 1 1 6 6 ILE CG1 C 13 29.6 0.5 . 1 . . . . 6 ILE CG1 . 16597 1 27 . 1 1 6 6 ILE CG2 C 13 18.0 0.5 . 1 . . . . 6 ILE CG2 . 16597 1 28 . 1 1 7 7 ALA C C 13 179.3 0.5 . 1 . . . . 7 ALA C . 16597 1 29 . 1 1 7 7 ALA CA C 13 55.5 0.5 . 5 . . . . 7 ALA CA . 16597 1 30 . 1 1 7 7 ALA CB C 13 18.6 0.5 . 5 . . . . 7 ALA CB . 16597 1 31 . 1 1 8 8 GLY C C 13 175.4 0.5 . 1 . . . . 8 GLY C . 16597 1 32 . 1 1 8 8 GLY CA C 13 47.4 0.5 . 5 . . . . 8 GLY CA . 16597 1 33 . 1 1 9 9 PHE C C 13 178.6 0.5 . 1 . . . . 9 PHE C . 16597 1 34 . 1 1 9 9 PHE CA C 13 60.5 0.5 . 5 . . . . 9 PHE CA . 16597 1 35 . 1 1 9 9 PHE CB C 13 39.7 0.5 . 5 . . . . 9 PHE CB . 16597 1 36 . 1 1 9 9 PHE CD1 C 13 131.8 0.5 . 3 . . . . 9 PHE CD1 . 16597 1 37 . 1 1 9 9 PHE CD2 C 13 131.8 0.5 . 3 . . . . 9 PHE CD2 . 16597 1 38 . 1 1 9 9 PHE CE1 C 13 131.8 0.5 . 3 . . . . 9 PHE CE1 . 16597 1 39 . 1 1 9 9 PHE CE2 C 13 131.8 0.5 . 3 . . . . 9 PHE CE2 . 16597 1 40 . 1 1 9 9 PHE CZ C 13 131.8 0.5 . 1 . . . . 9 PHE CZ . 16597 1 41 . 1 1 10 10 ILE C C 13 178.0 0.5 . 1 . . . . 10 ILE C . 16597 1 42 . 1 1 10 10 ILE CA C 13 65.1 0.5 . 1 . . . . 10 ILE CA . 16597 1 43 . 1 1 10 10 ILE CB C 13 38.2 0.5 . 1 . . . . 10 ILE CB . 16597 1 44 . 1 1 10 10 ILE CD1 C 13 15.2 0.5 . 1 . . . . 10 ILE CD1 . 16597 1 45 . 1 1 10 10 ILE CG1 C 13 30.0 0.5 . 1 . . . . 10 ILE CG1 . 16597 1 46 . 1 1 10 10 ILE CG2 C 13 17.9 0.5 . 1 . . . . 10 ILE CG2 . 16597 1 47 . 1 1 11 11 GLU C C 13 178.7 0.5 . 6 . . . . 11 GLU C . 16597 1 48 . 1 1 11 11 GLU CA C 13 58.8 0.5 . 6 . . . . 11 GLU CA . 16597 1 49 . 1 1 11 11 GLU CB C 13 28.9 0.5 . 6 . . . . 11 GLU CB . 16597 1 50 . 1 1 11 11 GLU CD C 13 181.9 0.5 . 1 . . . . 11 GLU CD . 16597 1 51 . 1 1 11 11 GLU CG C 13 37.2 0.5 . 6 . . . . 11 GLU CG . 16597 1 52 . 1 1 12 12 ASN C C 13 175.5 0.5 . 1 . . . . 12 ASN C . 16597 1 53 . 1 1 12 12 ASN CA C 13 51.4 0.5 . 1 . . . . 12 ASN CA . 16597 1 54 . 1 1 12 12 ASN CB C 13 39.8 0.5 . 1 . . . . 12 ASN CB . 16597 1 55 . 1 1 12 12 ASN CG C 13 175.0 0.5 . 1 . . . . 12 ASN CG . 16597 1 56 . 1 1 13 13 GLY C C 13 174.5 0.5 . 1 . . . . 13 GLY C . 16597 1 57 . 1 1 13 13 GLY CA C 13 45.8 0.5 . 1 . . . . 13 GLY CA . 16597 1 58 . 1 1 16 16 GLY C C 13 175.2 0.5 . 1 . . . . 16 GLY C . 16597 1 59 . 1 1 20 20 GLY C C 13 174.7 0.5 . 1 . . . . 20 GLY C . 16597 1 60 . 2 1 11 11 GLU C C 13 174.5 0.5 . 6 . . . . 11 GLU C . 16597 1 61 . 2 1 11 11 GLU CA C 13 54.0 0.5 . 6 . . . . 11 GLU CA . 16597 1 62 . 2 1 11 11 GLU CB C 13 32.0 0.5 . 6 . . . . 11 GLU CB . 16597 1 63 . 2 1 11 11 GLU CG C 13 37.9 0.5 . 6 . . . . 11 GLU CG . 16597 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 2 16597 1 1 18 16597 1 1 32 16597 1 2 10 16597 1 2 34 16597 1 3 11 16597 1 3 35 16597 1 4 17 16597 1 5 20 16597 1 5 29 16597 1 6 21 16597 1 6 30 16597 1 7 47 16597 1 7 60 16597 1 8 48 16597 1 8 61 16597 1 9 49 16597 1 9 62 16597 1 10 51 16597 1 10 63 16597 1 stop_ save_