data_19701 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19701 _Entry.Title ; NMR structure of the soluble A 17-34 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-23 _Entry.Accession_date 2013-12-23 _Entry.Last_release_date 2014-11-03 _Entry.Original_release_date 2014-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of the soluble A 17-34 peptide' _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 Gennadiy Fonar . . . 19701 2 Avraham Samson . O. . 19701 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 1 'not applicable' 'not applicable' . 19701 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID alzheimer . 19701 amyloid . 19701 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19701 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 106 19701 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 . . 2014-11-03 2013-12-23 original author . 19701 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1lfm . 19701 PDB 2MJ1 'BMRB Entry Tracking System' 19701 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19701 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25284368 _Citation.Full_citation . _Citation.Title 'NMR structure of the water soluble Abeta17-34 peptide' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biosci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Avraham Samson . O. . 19701 1 2 Gennadiy Fonar . . . 19701 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19701 _Assembly.ID 1 _Assembly.Name 'soluble A 17-34 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'soluble A 17-34 peptide' 1 $entity A . yes native no no . . . 19701 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19701 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code LVFFAEDVGSNKGAIIGL _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1851.147 _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 BMRB 11435 . Amyloid-beta-(1-40) . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 2 no BMRB 15775 . APP_C99 . . . . . 100.00 122 100.00 100.00 8.23e-03 . . . . 19701 1 3 no BMRB 17159 . Amyloid_beta-Peptide . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 4 no BMRB 17186 . Abeta . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 5 no BMRB 17764 . Abeta . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 6 no BMRB 17793 . Abeta(1-42) . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 7 no BMRB 17794 . Abeta(1-42) . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 8 no BMRB 17795 . Abeta(1-40) . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 9 no BMRB 17796 . Abeta40 . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 10 no BMRB 18052 . Pyroglutamate_Abeta . . . . . 100.00 38 100.00 100.00 4.78e-02 . . . . 19701 1 11 no BMRB 18080 . entity . . . . . 100.00 43 100.00 100.00 3.33e-02 . . . . 19701 1 12 no BMRB 18127 . beta-amyloid . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 13 no BMRB 18128 . beta-amyloid . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 14 no BMRB 18129 . beta-amyloid . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 15 no BMRB 18131 . beta-amyloid . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 16 no BMRB 19009 . beta-amyloid_peptide . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 17 no BMRB 19309 . amyloid_peptide . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 18 no BMRB 25218 . amyloid_peptide . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 19 no BMRB 25429 . entity . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 20 no BMRB 26508 . amyloid_B . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 21 no BMRB 26516 . amyloid_B . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 22 no PDB 1AML . "The Alzheimer`s Disease Amyloid A4 Peptide (Residues 1-40)" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 23 no PDB 1BA4 . "The Solution Structure Of Amyloid Beta-Peptide (1-40) In A Water-Micelle Environment. Is The Membrane-Spanning Domain Where We " . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 24 no PDB 1BA6 . "Solution Structure Of The Methionine-Oxidized Amyloid Beta- Peptide (1-40). Does Oxidation Affect Conformational Switching? Nmr" . . . . . 100.00 40 100.00 100.00 5.24e-02 . . . . 19701 1 25 no PDB 1HZ3 . "Alzheimer's Disease Amyloid-Beta Peptide (Residues 10-35)" . . . . . 100.00 26 100.00 100.00 3.68e-02 . . . . 19701 1 26 no PDB 1IYT . "Solution Structure Of The Alzheimer's Disease Amyloid Beta- Peptide (1-42)" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 27 no PDB 1Z0Q . "Aqueous Solution Structure Of The Alzheimer's Disease Abeta Peptide (1-42)" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 28 no PDB 2BEG . "3d Structure Of Alzheimer's Abeta(1-42) Fibrils" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 29 no PDB 2G47 . "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Amyloid-Beta (1-40)" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 30 no PDB 2LFM . "A Partially Folded Structure Of Amyloid-Beta(1 40) In An Aqueous Environment" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 31 no PDB 2LLM . "Structure Of Amyloid Precursor Protein's Transmembrane Domain" . . . . . 100.00 43 100.00 100.00 3.33e-02 . . . . 19701 1 32 no PDB 2LMN . "Structural Model For A 40-Residue Beta-Amyloid Fibril With Two-Fold Symmetry, Positive Stagger" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 33 no PDB 2LMO . "Structural Model For A 40-Residue Beta-Amyloid Fibril With Two-Fold Symmetry, Negative Stagger" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 34 no PDB 2LMP . "Structural Model For A 40-Residue Beta-Amyloid Fibril With Three-Fold Symmetry, Positive Stagger" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 35 no PDB 2LMQ . "Structural Model For A 40-Residue Beta-Amyloid Fibril With Three-Fold Symmetry, Negative Stagger" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 36 no PDB 2LOH . "Dimeric Structure Of Transmembrane Domain Of Amyloid Precursor Protein In Micellar Environment" . . . . . 100.00 43 100.00 100.00 3.33e-02 . . . . 19701 1 37 no PDB 2LP1 . "The Solution Nmr Structure Of The Transmembrane C-Terminal Domain Of The Amyloid Precursor Protein (C99)" . . . . . 100.00 122 100.00 100.00 8.23e-03 . . . . 19701 1 38 no PDB 2M4J . "40-residue Beta-amyloid Fibril Derived From Alzheimer's Disease Brain" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 39 no PDB 2M9R . "3d Nmr Structure Of A Complex Between The Amyloid Beta Peptide (1-40) And The Polyphenol Epsilon-viniferin Glucoside" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 40 no PDB 2M9S . "3d Nmr Structure Of A Complex Between The Amyloid Beta Peptide (1-40) And The Polyphenol Epsilon-viniferin Glucoside" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 41 no PDB 2MJ1 . "Nmr Structure Of The Soluble A Beta 17-34 Peptide" . . . . . 100.00 18 100.00 100.00 7.54e-02 . . . . 19701 1 42 no PDB 2MXU . "42-residue Beta Amyloid Fibril" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 43 no PDB 2OTK . "Structure Of Alzheimer Ab Peptide In Complex With An Engineered Binding Protein" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 44 no PDB 2WK3 . "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Amyloid-Beta (1-42)" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 45 no PDB 3IFN . "X-ray Structure Of Amyloid Beta Peptide:antibody (abeta1-40:12a11) Complex" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 46 no PDB 3MOQ . "Amyloid Beta(18-41) Peptide Fusion With New Antigen Receptor Variable Domain From Sharks" . . . . . 94.44 126 100.00 100.00 1.78e-01 . . . . 19701 1 47 no PDB 4M1C . "Crystal Structure Analysis Of Fab-bound Human Insulin Degrading Enzyme (ide) In Complex With Amyloid-beta (1-40)" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 48 no PDB 4MVI . "Crystal Structure Of An Engineered Lipocalin (anticalin Us7) In Complex With The Alzheimer Amyloid Peptide Abeta(1-40)" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 49 no PDB 4MVL . "Crystal Structure Of An Engineered Lipocalin (anticalin H1ga) In Complex With The Alzheimer Amyloid Peptide Abeta1-40" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 50 no PDB 4NGE . "Crystal Structure Of Human Presequence Protease In Complex With Amyloid-beta (1-40)" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 51 no PDB 4ONG . "Fab Fragment Of 3d6 In Complex With Amyloid Beta 1-40" . . . . . 100.00 40 100.00 100.00 4.83e-02 . . . . 19701 1 52 no PDB 5AEF . "Electron Cryo-microscopy Of An Abeta(1-42)amyloid Fibril" . . . . . 100.00 28 100.00 100.00 5.85e-02 . . . . 19701 1 53 no DBJ BAA22264 . "amyloid precursor protein [Homo sapiens]" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 54 no DBJ BAA84580 . "amyloid precursor protein [Sus scrofa]" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 55 no DBJ BAB71958 . "amyloid precursor protein [Homo sapiens]" . . . . . 100.00 52 100.00 100.00 3.83e-02 . . . . 19701 1 56 no DBJ BAC34997 . "unnamed protein product [Mus musculus]" . . . . . 100.00 218 100.00 100.00 2.71e-02 . . . . 19701 1 57 no DBJ BAC36369 . "unnamed protein product [Mus musculus]" . . . . . 100.00 384 100.00 100.00 4.69e-02 . . . . 19701 1 58 no EMBL CAA30050 . "amyloid A4 protein [Homo sapiens]" . . . . . 100.00 751 100.00 100.00 6.13e-02 . . . . 19701 1 59 no EMBL CAA30488 . "unnamed protein product [Rattus rattus]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 60 no EMBL CAA31830 . "A4 amyloid protein precursor [Homo sapiens]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 61 no EMBL CAA39589 . "amyloid precursor protein [Bos taurus]" . . . . . 100.00 59 100.00 100.00 3.40e-02 . . . . 19701 1 62 no EMBL CAA39590 . "amyloid precursor protein [Canis lupus familiaris]" . . . . . 100.00 58 100.00 100.00 3.48e-02 . . . . 19701 1 63 no GB AAA35540 . "amyloid protein, partial [Homo sapiens]" . . . . . 100.00 97 100.00 100.00 2.29e-02 . . . . 19701 1 64 no GB AAA36829 . "amyloid b-protein precursor [Macaca fascicularis]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 65 no GB AAA37139 . "beta-amyloid protein [Mus musculus]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 66 no GB AAA51564 . "amyloid beta protein, partial [Homo sapiens]" . . . . . 88.89 30 100.00 100.00 7.71e-01 . . . . 19701 1 67 no GB AAA51722 . "amyloid beta-protein precursor, partial [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 4.89e-02 . . . . 19701 1 68 no PIR A60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - dog (fragment)" . . . . . 100.00 57 100.00 100.00 3.43e-02 . . . . 19701 1 69 no PIR D60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - bovine (fragment)" . . . . . 100.00 57 100.00 100.00 3.43e-02 . . . . 19701 1 70 no PIR E60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - sheep (fragment)" . . . . . 100.00 57 100.00 100.00 3.43e-02 . . . . 19701 1 71 no PIR G60045 . "Alzheimer's disease amyloid beta/A4 protein precursor - guinea pig (fragment)" . . . . . 100.00 57 100.00 100.00 3.43e-02 . . . . 19701 1 72 no PIR PQ0438 . "Alzheimer's disease amyloid A4 protein precursor - rabbit (fragment)" . . . . . 100.00 82 100.00 100.00 2.40e-02 . . . . 19701 1 73 no PRF 1303338A . "amyloid A4 protein precursor" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 74 no PRF 1403400A . "amyloid protein A4" . . . . . 100.00 751 100.00 100.00 6.13e-02 . . . . 19701 1 75 no PRF 1405204A . "amyloid protein" . . . . . 100.00 42 100.00 100.00 4.99e-02 . . . . 19701 1 76 no PRF 1507304A . "beta amyloid peptide precursor" . . . . . 100.00 412 100.00 100.00 4.89e-02 . . . . 19701 1 77 no PRF 1507304B . "beta amyloid peptide precursor" . . . . . 100.00 574 100.00 100.00 5.66e-02 . . . . 19701 1 78 no REF NP_000475 . "amyloid beta A4 protein isoform a precursor [Homo sapiens]" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 79 no REF NP_001006601 . "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 80 no REF NP_001013036 . "amyloid beta A4 protein precursor [Pan troglodytes]" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 81 no REF NP_001070264 . "amyloid beta A4 protein precursor [Bos taurus]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 82 no REF NP_001127014 . "amyloid beta A4 protein precursor [Pongo abelii]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 1 83 no SP O73683 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 780 100.00 100.00 6.18e-02 . . . . 19701 1 84 no SP P05067 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 85 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 86 no SP P12023 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 87 no SP P53601 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 6.16e-02 . . . . 19701 1 88 no TPG DAA33655 . "TPA: amyloid beta A4 protein [Bos taurus]" . . . . . 100.00 695 100.00 100.00 6.01e-02 . . . . 19701 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 . LEU . 19701 1 2 . VAL . 19701 1 3 . PHE . 19701 1 4 . PHE . 19701 1 5 . ALA . 19701 1 6 . GLU . 19701 1 7 . ASP . 19701 1 8 . VAL . 19701 1 9 . GLY . 19701 1 10 . SER . 19701 1 11 . ASN . 19701 1 12 . LYS . 19701 1 13 . GLY . 19701 1 14 . ALA . 19701 1 15 . ILE . 19701 1 16 . ILE . 19701 1 17 . GLY . 19701 1 18 . LEU . 19701 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 . LEU 1 1 19701 1 . VAL 2 2 19701 1 . PHE 3 3 19701 1 . PHE 4 4 19701 1 . ALA 5 5 19701 1 . GLU 6 6 19701 1 . ASP 7 7 19701 1 . VAL 8 8 19701 1 . GLY 9 9 19701 1 . SER 10 10 19701 1 . ASN 11 11 19701 1 . LYS 12 12 19701 1 . GLY 13 13 19701 1 . ALA 14 14 19701 1 . ILE 15 15 19701 1 . ILE 16 16 19701 1 . GLY 17 17 19701 1 . LEU 18 18 19701 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 19701 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19701 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 19701 _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 $entity . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19701 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19701 _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 'soluble A 17-34 peptide' 'natural abundance' . . 1 $entity . . . . . mM . . . . 19701 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19701 1 3 'sodium azide' 'natural abundance' . . . . . . 0.2 . . uM . . . . 19701 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 19701 _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' 0.12 . mM 19701 1 pH 7 . pH 19701 1 pressure 1 . atm 19701 1 temperature 278 . K 19701 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19701 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19701 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 19701 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 19701 _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 AMX . 600 . . . 19701 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 19701 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19701 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19701 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 19701 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.75 internal direct 1.0 'insert at outer edge of experimental sample tube' spherical parallel . . . . . . 19701 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 19701 _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-1H TOCSY' . . . 19701 1 2 '2D 1H-1H COSY' . . . 19701 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 LEU H H 1 8.307 0.01 . . . . . A 1 LEU H1 . 19701 1 2 . 1 1 1 1 LEU HA H 1 4.016 0.01 . . . . . A 1 LEU HA . 19701 1 3 . 1 1 1 1 LEU HB2 H 1 2.003 0.01 . . . . . A 1 LEU HB2 . 19701 1 4 . 1 1 1 1 LEU HB3 H 1 1.957 0.01 . . . . . A 1 LEU HB3 . 19701 1 5 . 1 1 1 1 LEU HG H 1 1.777 0.01 . . . . . A 1 LEU HG . 19701 1 6 . 1 1 1 1 LEU HD11 H 1 1.604 0.01 . . . . . A 1 LEU HD11 . 19701 1 7 . 1 1 1 1 LEU HD12 H 1 1.132 0.01 . . . . . A 1 LEU HD12 . 19701 1 8 . 1 1 1 1 LEU HD13 H 1 0.619 0.01 . . . . . A 1 LEU HD13 . 19701 1 9 . 1 1 1 1 LEU HD21 H 1 0.54 0.01 . . . . . A 1 LEU HD21 . 19701 1 10 . 1 1 1 1 LEU HD22 H 1 0.54 0.01 . . . . . A 1 LEU HD22 . 19701 1 11 . 1 1 1 1 LEU HD23 H 1 0.54 0.01 . . . . . A 1 LEU HD23 . 19701 1 12 . 1 1 2 2 VAL H H 1 7.894 0.01 . . . . . A 2 VAL H . 19701 1 13 . 1 1 2 2 VAL HA H 1 3.708 0.01 . . . . . A 2 VAL HA . 19701 1 14 . 1 1 2 2 VAL HB H 1 1.581 0.01 . . . . . A 2 VAL HB . 19701 1 15 . 1 1 2 2 VAL HG11 H 1 0.537 0.01 . . . . . A 2 VAL HG11 . 19701 1 16 . 1 1 2 2 VAL HG12 H 1 0.537 0.01 . . . . . A 2 VAL HG12 . 19701 1 17 . 1 1 2 2 VAL HG13 H 1 0.537 0.01 . . . . . A 2 VAL HG13 . 19701 1 18 . 1 1 2 2 VAL HG21 H 1 0.435 0.01 . . . . . A 2 VAL HG21 . 19701 1 19 . 1 1 2 2 VAL HG22 H 1 0.435 0.01 . . . . . A 2 VAL HG22 . 19701 1 20 . 1 1 2 2 VAL HG23 H 1 0.435 0.01 . . . . . A 2 VAL HG23 . 19701 1 21 . 1 1 3 3 PHE H H 1 8.109 0.01 . . . . . A 3 PHE H . 19701 1 22 . 1 1 3 3 PHE HA H 1 4.267 0.01 . . . . . A 3 PHE HA . 19701 1 23 . 1 1 3 3 PHE HD1 H 1 0.603 0.01 . . . . . A 3 PHE HD1 . 19701 1 24 . 1 1 3 3 PHE HD2 H 1 0.603 0.01 . . . . . A 3 PHE HD2 . 19701 1 25 . 1 1 4 4 PHE H H 1 8.026 0.01 . . . . . A 4 PHE H . 19701 1 26 . 1 1 4 4 PHE HA H 1 4.24 0.01 . . . . . A 4 PHE HA . 19701 1 27 . 1 1 4 4 PHE HB2 H 1 2.75 0.01 . . . . . A 4 PHE HB2 . 19701 1 28 . 1 1 4 4 PHE HB3 H 1 2.613 0.01 . . . . . A 4 PHE HB3 . 19701 1 29 . 1 1 4 4 PHE HD2 H 1 2.596 0.01 . . . . . A 4 PHE HD2 . 19701 1 30 . 1 1 5 5 ALA H H 1 8.023 0.01 . . . . . A 5 ALA H . 19701 1 31 . 1 1 5 5 ALA HA H 1 3.901 0.01 . . . . . A 5 ALA HA . 19701 1 32 . 1 1 5 5 ALA HB1 H 1 1.045 0.01 . . . . . A 5 ALA HB1 . 19701 1 33 . 1 1 5 5 ALA HB2 H 1 1.045 0.01 . . . . . A 5 ALA HB2 . 19701 1 34 . 1 1 5 5 ALA HB3 H 1 1.045 0.01 . . . . . A 5 ALA HB3 . 19701 1 35 . 1 1 6 6 GLU H H 1 8.138 0.01 . . . . . A 6 GLU H . 19701 1 36 . 1 1 6 6 GLU HA H 1 3.87 0.01 . . . . . A 6 GLU HA . 19701 1 37 . 1 1 6 6 GLU HB2 H 1 2.671 0.01 . . . . . A 6 GLU HB2 . 19701 1 38 . 1 1 6 6 GLU HB3 H 1 2.617 0.01 . . . . . A 6 GLU HB3 . 19701 1 39 . 1 1 6 6 GLU HG2 H 1 1.716 0.01 . . . . . A 6 GLU HG2 . 19701 1 40 . 1 1 6 6 GLU HG3 H 1 1.589 0.01 . . . . . A 6 GLU HG3 . 19701 1 41 . 1 1 7 7 ASP H H 1 8.231 0.01 . . . . . A 7 ASP H . 19701 1 42 . 1 1 7 7 ASP HA H 1 4.322 0.01 . . . . . A 7 ASP HA . 19701 1 43 . 1 1 7 7 ASP HB2 H 1 2.442 0.01 . . . . . A 7 ASP HB2 . 19701 1 44 . 1 1 7 7 ASP HB3 H 1 2.329 0.01 . . . . . A 7 ASP HB3 . 19701 1 45 . 1 1 8 8 VAL H H 1 7.954 0.01 . . . . . A 8 VAL H . 19701 1 46 . 1 1 8 8 VAL HA H 1 3.822 0.01 . . . . . A 8 VAL HA . 19701 1 47 . 1 1 8 8 VAL HB H 1 1.873 0.01 . . . . . A 8 VAL HB . 19701 1 48 . 1 1 8 8 VAL HG11 H 1 1.051 0.01 . . . . . A 8 VAL HG11 . 19701 1 49 . 1 1 8 8 VAL HG12 H 1 1.051 0.01 . . . . . A 8 VAL HG12 . 19701 1 50 . 1 1 8 8 VAL HG13 H 1 1.051 0.01 . . . . . A 8 VAL HG13 . 19701 1 51 . 1 1 8 8 VAL HG21 H 1 0.644 0.01 . . . . . A 8 VAL HG21 . 19701 1 52 . 1 1 8 8 VAL HG22 H 1 0.644 0.01 . . . . . A 8 VAL HG22 . 19701 1 53 . 1 1 8 8 VAL HG23 H 1 0.644 0.01 . . . . . A 8 VAL HG23 . 19701 1 54 . 1 1 9 9 GLY H H 1 8.341 0.01 . . . . . A 9 GLY H . 19701 1 55 . 1 1 9 9 GLY HA2 H 1 3.668 0.01 . . . . . A 9 GLY HA2 . 19701 1 56 . 1 1 9 9 GLY HA3 H 1 3.668 0.01 . . . . . A 9 GLY HA3 . 19701 1 57 . 1 1 10 10 SER H H 1 7.94 0.01 . . . . . A 10 SER H . 19701 1 58 . 1 1 10 10 SER HA H 1 4.127 0.01 . . . . . A 10 SER HA . 19701 1 59 . 1 1 10 10 SER HB2 H 1 3.586 0.01 . . . . . A 10 SER HB2 . 19701 1 60 . 1 1 10 10 SER HB3 H 1 3.545 0.01 . . . . . A 10 SER HB3 . 19701 1 61 . 1 1 11 11 ASN H H 1 7.809 0.01 . . . . . A 11 ASN H . 19701 1 62 . 1 1 11 11 ASN HA H 1 3.798 0.01 . . . . . A 11 ASN HA . 19701 1 63 . 1 1 11 11 ASN HB2 H 1 1.877 0.01 . . . . . A 11 ASN HB2 . 19701 1 64 . 1 1 11 11 ASN HB3 H 1 1.743 0.01 . . . . . A 11 ASN HB3 . 19701 1 65 . 1 1 11 11 ASN HD21 H 1 1.712 0.01 . . . . . A 11 ASN HD21 . 19701 1 66 . 1 1 11 11 ASN HD22 H 1 1.545 0.01 . . . . . A 11 ASN HD22 . 19701 1 67 . 1 1 12 12 LYS H H 1 8.143 0.01 . . . . . A 12 LYS H . 19701 1 68 . 1 1 12 12 LYS HA H 1 3.959 0.01 . . . . . A 12 LYS HA . 19701 1 69 . 1 1 12 12 LYS HB2 H 1 2.678 0.01 . . . . . A 12 LYS HB2 . 19701 1 70 . 1 1 12 12 LYS HG2 H 1 1.956 0.01 . . . . . A 12 LYS HG2 . 19701 1 71 . 1 1 12 12 LYS HG3 H 1 1.719 0.01 . . . . . A 12 LYS HG3 . 19701 1 72 . 1 1 12 12 LYS HD2 H 1 1.623 0.01 . . . . . A 12 LYS HD2 . 19701 1 73 . 1 1 13 13 GLY H H 1 8.205 0.01 . . . . . A 13 GLY H . 19701 1 74 . 1 1 13 13 GLY HA2 H 1 3.61 0.01 . . . . . A 13 GLY HA2 . 19701 1 75 . 1 1 14 14 ALA H H 1 7.837 0.01 . . . . . A 14 ALA H . 19701 1 76 . 1 1 14 14 ALA HA H 1 3.993 0.01 . . . . . A 14 ALA HA . 19701 1 77 . 1 1 14 14 ALA HB1 H 1 1.051 0.01 . . . . . A 14 ALA HB1 . 19701 1 78 . 1 1 14 14 ALA HB2 H 1 1.051 0.01 . . . . . A 14 ALA HB2 . 19701 1 79 . 1 1 14 14 ALA HB3 H 1 1.051 0.01 . . . . . A 14 ALA HB3 . 19701 1 80 . 1 1 15 15 ILE H H 1 8.003 0.01 . . . . . A 15 ILE H . 19701 1 81 . 1 1 15 15 ILE HA H 1 3.836 0.01 . . . . . A 15 ILE HA . 19701 1 82 . 1 1 15 15 ILE HG12 H 1 1.212 0.01 . . . . . A 15 ILE HG12 . 19701 1 83 . 1 1 15 15 ILE HG13 H 1 0.88 0.01 . . . . . A 15 ILE HG13 . 19701 1 84 . 1 1 15 15 ILE HD11 H 1 0.562 0.01 . . . . . A 15 ILE HD11 . 19701 1 85 . 1 1 15 15 ILE HD12 H 1 0.562 0.01 . . . . . A 15 ILE HD12 . 19701 1 86 . 1 1 15 15 ILE HD13 H 1 0.562 0.01 . . . . . A 15 ILE HD13 . 19701 1 87 . 1 1 16 16 ILE H H 1 8.109 0.01 . . . . . A 16 ILE H . 19701 1 88 . 1 1 16 16 ILE HA H 1 3.86 0.01 . . . . . A 16 ILE HA . 19701 1 89 . 1 1 16 16 ILE HB H 1 2.661 0.01 . . . . . A 16 ILE HB . 19701 1 90 . 1 1 16 16 ILE HG12 H 1 2.61 0.01 . . . . . A 16 ILE HG12 . 19701 1 91 . 1 1 16 16 ILE HG13 H 1 1.202 0.01 . . . . . A 16 ILE HG13 . 19701 1 92 . 1 1 16 16 ILE HG21 H 1 0.908 0.01 . . . . . A 16 ILE HG21 . 19701 1 93 . 1 1 16 16 ILE HG22 H 1 0.908 0.01 . . . . . A 16 ILE HG22 . 19701 1 94 . 1 1 16 16 ILE HG23 H 1 0.908 0.01 . . . . . A 16 ILE HG23 . 19701 1 95 . 1 1 17 17 GLY H H 1 8.351 0.01 . . . . . A 17 GLY H . 19701 1 96 . 1 1 17 17 GLY HA2 H 1 3.613 0.01 . . . . . A 17 GLY HA2 . 19701 1 97 . 1 1 17 17 GLY HA3 H 1 3.613 0.01 . . . . . A 17 GLY HA3 . 19701 1 98 . 1 1 18 18 LEU H H 1 7.921 0.01 . . . . . A 18 LEU H . 19701 1 99 . 1 1 18 18 LEU HA H 1 4.072 0.01 . . . . . A 18 LEU HA . 19701 1 100 . 1 1 18 18 LEU HG H 1 1.298 0.01 . . . . . A 18 LEU HG . 19701 1 101 . 1 1 18 18 LEU HD11 H 1 0.616 0.01 . . . . . A 18 LEU HD11 . 19701 1 102 . 1 1 18 18 LEU HD12 H 1 0.616 0.01 . . . . . A 18 LEU HD12 . 19701 1 103 . 1 1 18 18 LEU HD13 H 1 0.616 0.01 . . . . . A 18 LEU HD13 . 19701 1 104 . 1 1 18 18 LEU HD21 H 1 0.565 0.01 . . . . . A 18 LEU HD21 . 19701 1 105 . 1 1 18 18 LEU HD22 H 1 0.565 0.01 . . . . . A 18 LEU HD22 . 19701 1 106 . 1 1 18 18 LEU HD23 H 1 0.565 0.01 . . . . . A 18 LEU HD23 . 19701 1 stop_ save_