data_15143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15143 _Entry.Title ; 1H (NH, HA, HB) Chemical Shift Assignments of the Non-Specific Lipid Transfer Protein (nsLTP1) with post translational modification, isolated from Barley Seeds ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-24 _Entry.Accession_date 2007-02-24 _Entry.Last_release_date 2007-10-30 _Entry.Original_release_date 2007-10-30 _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 . _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 Ramani Wijesinha-Bettoni . . . 15143 2 Chunli Gao . . . 15143 3 John Jenkins . A. . 15143 4 Alan Mackie . R. . 15143 5 Peter Wilde . J. . 15143 6 'E. N' Mills . Clare . 15143 7 Lorna Smith . J. . 15143 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CRL, LJS group Oxford' . 15143 2 . 'IFR Norwich' . 15143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 279 15143 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-30 2007-02-24 original author . 15143 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1LiP 'entry containing coordinates for LTP1 without post-translational modification' 15143 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15143 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17854802 _Citation.Full_citation . _Citation.Title 'Post-translational modification of barley LTP1b: the lipid adduct lies in the hydrophobic cavity and alters the protein dynamics' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 581 _Citation.Journal_issue 24 _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 4557 _Citation.Page_last 4561 _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 Ramani Wijesinha-Bettoni . . . 15143 1 2 Chunli Gao . . . 15143 1 3 John Jenkins . A. . 15143 1 4 Alan Mackie . R. . 15143 1 5 Peter Wilde . J. . 15143 1 6 'E. N' Mills . Clare . 15143 1 7 Lorna Smith . J. . 15143 1 stop_ save_ save_cited_reference_within_the_entry _Citation.Sf_category citations _Citation.Sf_framecode cited_reference_within_the_entry _Citation.Entry_ID 15143 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11435437 _Citation.Full_citation . _Citation.Title 'Barley lipid transfer protein, LTP1, contains a new type of lipid-like post-translational modification.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 276 _Citation.Journal_issue 36 _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 33547 _Citation.Page_last 33553 _Citation.Year 2001 _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 Kresten Lindorff-Larsen . . . 15143 2 2 Mathilde Lerche . H. . 15143 2 3 Flemming Poulsen . M. . 15143 2 4 Peter Roepstorff . . . 15143 2 5 Jacob Winther . R. . 15143 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift' 15143 2 'lipid transfer protein' 15143 2 NMR 15143 2 'post translational modification' 15143 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15143 _Assembly.ID 1 _Assembly.Name nsLTP1b _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9983 _Assembly.Enzyme_commission_number . _Assembly.Details ; Non-specific lipid transfer protein from barley, containing post-translational modification, consisting of a substituted form of cis-7-heptadecenoic acid. ; _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 'barley lipid transfer protein with post-transaltional modification' 1 $nsLTP1b A . yes native no no . . . 15143 1 2 'cis-7-heptadecenoic acid' 2 $CHDA A . no native no no . . 'The modification is thought to be attached to the protein via an ester bond at Asp7, according to Lindorff-Larsen et al. 2001' 15143 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'most likely an ester bond' single . 1 . 1 ASP 7 7 OD . 2 . 2 CHDA 1 1 . . 'barley lipid transfer protein with post-transaltional modification' 7 Asp OD . 'cis-7-heptadecenoic acid' . . . 15143 1 2 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 50 50 SG . 'barley lipid transfer protein with post-transaltional modification' 3 CYS SG . 'barley lipid transfer protein with post-transaltional modification' 50 CYS SG 15143 1 3 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 27 27 SG . 'barley lipid transfer protein with post-transaltional modification' 13 CYS SG . 'barley lipid transfer protein with post-transaltional modification' 27 CYS SG 15143 1 4 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 73 73 SG . 'barley lipid transfer protein with post-transaltional modification' 27 CYS SG . 'barley lipid transfer protein with post-transaltional modification' 73 CYS SG 15143 1 5 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 87 87 SG . 'barley lipid transfer protein with post-transaltional modification' 48 CYS SG . 'barley lipid transfer protein with post-transaltional modification' 87 CYS SG 15143 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 73 73 HG . 73 CYS HG 15143 1 . . 1 1 CYS 87 87 HG . 87 CYS HG 15143 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 15143 1 . . 1 1 CYS 50 50 HG . 50 CYS HG 15143 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 15143 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 15143 1 . . 1 1 CYS 3 3 HG . 3 CYS HG 15143 1 . . 1 1 CYS 13 13 HG . 13 CYS HG 15143 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 1LiP . . 'solution NMR' . 'ns-ltp from barley without post-translational modification' . 15143 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'may include antibiotic activity mediated through either prtoein-bound lipids or release of lipids as response to pathogens' 15143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsLTP1b _Entity.Sf_category entity _Entity.Sf_framecode nsLTP1b _Entity.Entry_ID 15143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsLTP1b _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 ; LNCGQVDSKMKPCLTYVQGG PGPSGECCNGVRDLHNQAQS SGDRQTVCNCLKGIARGIHN LNLNNAASIPSKCNVNVPYT ISPDIDCSRIY ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-11-26 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 4142 . LTP . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 15143 1 2 no PDB 1BE2 . "Lipid Transfer Protein Complexed With Palmitate, Nmr, 10 Structures" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 15143 1 3 no PDB 1JTB . "Lipid Transfer Protein Complexed With Palmitoyl Coenzyme A, Nmr, 16 Structures" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 15143 1 4 no PDB 1LIP . "Barley Lipid Transfer Protein (Nmr, 4 Structures)" . . . . . 98.90 91 100.00 100.00 5.90e-57 . . . . 15143 1 5 no PDB 1MID . "Non-Specific Lipid Transfer Protein 1 From Barley In Complex With L-Alfa-Lysophosphatidylcholine, Laudoyl" . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 15143 1 6 no PDB 3GSH . "Three-Dimensional Structure Of A Post Translational Modified Barley Ltp1" . . . . . 100.00 91 100.00 100.00 4.76e-58 . . . . 15143 1 7 no DBJ BAK05317 . "predicted protein [Hordeum vulgare subsp. vulgare]" . . . . . 100.00 117 100.00 100.00 1.91e-59 . . . . 15143 1 8 no EMBL CAA28805 . "unnamed protein product [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 15143 1 9 no EMBL CAA41946 . "lipid transfer protein [Hordeum vulgare subsp. vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 15143 1 10 no EMBL CAA42832 . "LTP 1, partial [Hordeum vulgare]" . . . . . 98.90 134 98.89 98.89 2.74e-58 . . . . 15143 1 11 no EMBL CAP16136 . "non-specific lipid transport protein 1 precursor [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 15143 1 12 no GB AAA32970 . "amylase/protease inhibitor [Hordeum vulgare]" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 15143 1 13 no SP P07597 . "RecName: Full=Non-specific lipid-transfer protein 1; Short=LTP 1; AltName: Full=Probable amylase/protease inhibitor; Flags: Pre" . . . . . 100.00 117 100.00 100.00 2.00e-59 . . . . 15143 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'possible role in the formation of cutin layers' 15143 1 'probably involved in the inhibition of bacterial and fungal pathogens' 15143 1 'the transfer of lipids between membranes' 15143 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 . 15143 1 2 . ASN . 15143 1 3 . CYS . 15143 1 4 . GLY . 15143 1 5 . GLN . 15143 1 6 . VAL . 15143 1 7 . ASP . 15143 1 8 . SER . 15143 1 9 . LYS . 15143 1 10 . MET . 15143 1 11 . LYS . 15143 1 12 . PRO . 15143 1 13 . CYS . 15143 1 14 . LEU . 15143 1 15 . THR . 15143 1 16 . TYR . 15143 1 17 . VAL . 15143 1 18 . GLN . 15143 1 19 . GLY . 15143 1 20 . GLY . 15143 1 21 . PRO . 15143 1 22 . GLY . 15143 1 23 . PRO . 15143 1 24 . SER . 15143 1 25 . GLY . 15143 1 26 . GLU . 15143 1 27 . CYS . 15143 1 28 . CYS . 15143 1 29 . ASN . 15143 1 30 . GLY . 15143 1 31 . VAL . 15143 1 32 . ARG . 15143 1 33 . ASP . 15143 1 34 . LEU . 15143 1 35 . HIS . 15143 1 36 . ASN . 15143 1 37 . GLN . 15143 1 38 . ALA . 15143 1 39 . GLN . 15143 1 40 . SER . 15143 1 41 . SER . 15143 1 42 . GLY . 15143 1 43 . ASP . 15143 1 44 . ARG . 15143 1 45 . GLN . 15143 1 46 . THR . 15143 1 47 . VAL . 15143 1 48 . CYS . 15143 1 49 . ASN . 15143 1 50 . CYS . 15143 1 51 . LEU . 15143 1 52 . LYS . 15143 1 53 . GLY . 15143 1 54 . ILE . 15143 1 55 . ALA . 15143 1 56 . ARG . 15143 1 57 . GLY . 15143 1 58 . ILE . 15143 1 59 . HIS . 15143 1 60 . ASN . 15143 1 61 . LEU . 15143 1 62 . ASN . 15143 1 63 . LEU . 15143 1 64 . ASN . 15143 1 65 . ASN . 15143 1 66 . ALA . 15143 1 67 . ALA . 15143 1 68 . SER . 15143 1 69 . ILE . 15143 1 70 . PRO . 15143 1 71 . SER . 15143 1 72 . LYS . 15143 1 73 . CYS . 15143 1 74 . ASN . 15143 1 75 . VAL . 15143 1 76 . ASN . 15143 1 77 . VAL . 15143 1 78 . PRO . 15143 1 79 . TYR . 15143 1 80 . THR . 15143 1 81 . ILE . 15143 1 82 . SER . 15143 1 83 . PRO . 15143 1 84 . ASP . 15143 1 85 . ILE . 15143 1 86 . ASP . 15143 1 87 . CYS . 15143 1 88 . SER . 15143 1 89 . ARG . 15143 1 90 . ILE . 15143 1 91 . TYR . 15143 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 15143 1 . ASN 2 2 15143 1 . CYS 3 3 15143 1 . GLY 4 4 15143 1 . GLN 5 5 15143 1 . VAL 6 6 15143 1 . ASP 7 7 15143 1 . SER 8 8 15143 1 . LYS 9 9 15143 1 . MET 10 10 15143 1 . LYS 11 11 15143 1 . PRO 12 12 15143 1 . CYS 13 13 15143 1 . LEU 14 14 15143 1 . THR 15 15 15143 1 . TYR 16 16 15143 1 . VAL 17 17 15143 1 . GLN 18 18 15143 1 . GLY 19 19 15143 1 . GLY 20 20 15143 1 . PRO 21 21 15143 1 . GLY 22 22 15143 1 . PRO 23 23 15143 1 . SER 24 24 15143 1 . GLY 25 25 15143 1 . GLU 26 26 15143 1 . CYS 27 27 15143 1 . CYS 28 28 15143 1 . ASN 29 29 15143 1 . GLY 30 30 15143 1 . VAL 31 31 15143 1 . ARG 32 32 15143 1 . ASP 33 33 15143 1 . LEU 34 34 15143 1 . HIS 35 35 15143 1 . ASN 36 36 15143 1 . GLN 37 37 15143 1 . ALA 38 38 15143 1 . GLN 39 39 15143 1 . SER 40 40 15143 1 . SER 41 41 15143 1 . GLY 42 42 15143 1 . ASP 43 43 15143 1 . ARG 44 44 15143 1 . GLN 45 45 15143 1 . THR 46 46 15143 1 . VAL 47 47 15143 1 . CYS 48 48 15143 1 . ASN 49 49 15143 1 . CYS 50 50 15143 1 . LEU 51 51 15143 1 . LYS 52 52 15143 1 . GLY 53 53 15143 1 . ILE 54 54 15143 1 . ALA 55 55 15143 1 . ARG 56 56 15143 1 . GLY 57 57 15143 1 . ILE 58 58 15143 1 . HIS 59 59 15143 1 . ASN 60 60 15143 1 . LEU 61 61 15143 1 . ASN 62 62 15143 1 . LEU 63 63 15143 1 . ASN 64 64 15143 1 . ASN 65 65 15143 1 . ALA 66 66 15143 1 . ALA 67 67 15143 1 . SER 68 68 15143 1 . ILE 69 69 15143 1 . PRO 70 70 15143 1 . SER 71 71 15143 1 . LYS 72 72 15143 1 . CYS 73 73 15143 1 . ASN 74 74 15143 1 . VAL 75 75 15143 1 . ASN 76 76 15143 1 . VAL 77 77 15143 1 . PRO 78 78 15143 1 . TYR 79 79 15143 1 . THR 80 80 15143 1 . ILE 81 81 15143 1 . SER 82 82 15143 1 . PRO 83 83 15143 1 . ASP 84 84 15143 1 . ILE 85 85 15143 1 . ASP 86 86 15143 1 . CYS 87 87 15143 1 . SER 88 88 15143 1 . ARG 89 89 15143 1 . ILE 90 90 15143 1 . TYR 91 91 15143 1 stop_ save_ save_CHDA _Entity.Sf_category entity _Entity.Sf_framecode CHDA _Entity.Entry_ID 15143 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CHDA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CHDA _Entity.Nonpolymer_comp_label $chem_comp_CHDA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . CHDA . 15143 2 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 15143 _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 $nsLTP1b . 4513 organism . 'Hordeum vulgare' barley . . Eukaryota Viridiplantae Hordeum vulgare . . . . . . . . . . . . . . . . . . . . . 15143 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 15143 _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 $nsLTP1b . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . 'purified from barley flour (cv. Optic)' . . 15143 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CHDA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CHDA _Chem_comp.Entry_ID 15143 _Chem_comp.ID CHDA _Chem_comp.Provenance . _Chem_comp.Name cis-7-heptadecenoic_acid _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CHDA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C17 H28 05' _Chem_comp.Formula_weight 294.3 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID . SMILES . . 15143 CHDA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID cis-7-heptadecenoic_acid 'SYSTEMATIC NAME' . . 15143 CHDA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING . . . . . . 15143 CHDA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15143 _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 nsLTP1b 'natural abundance' 1 $assembly . . . . 4 . . mM 0.2 . . . 15143 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 15143 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.0 0.1 pH 15143 1 temperature 310 1 K 15143 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15143 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3 0.1 pH 15143 2 temperature 299 1 K 15143 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 15143 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5 0.1 pH 15143 3 temperature 298 1 K 15143 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15143 _Software.ID 1 _Software.Name SPARKY _Software.Version 'Version 3.110' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; www.cgl.ucsf.edu/home/sparky/ 15143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15143 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 15143 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; The home-built spectrometer consists of an Oxford Instruments magnet, the GE-Omega data acquisition software and home-built probe. ; _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model . _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 15143 _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 Home-built . . 600 ; The home-built spectrometer consists of an Oxford Instruments magnet, the GE-Omega data acquisition software and home-built probe. ; . . 15143 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 15143 _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 . . . . . . . . . . . . . . . . 15143 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15143 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 15143 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; The chemical shift of water at 20C has previously been determined with respect to dioxane at 3.743ppm. ; 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 H2O protons . . . . ppm 4.80 internal direct 1.0 internal . . . . . . . . 15143 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 15143 _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' . . . 15143 1 3 '2D 1H-1H NOESY' . . . 15143 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 2 2 ASN H H 1 8.14 0.03 . 1 . . . . 2 ASN H . 15143 1 2 . 1 1 2 2 ASN HA H 1 5.0 0.03 . 1 . . . . 2 ASN HA . 15143 1 3 . 1 1 2 2 ASN HB2 H 1 3.21 0.03 . 2 . . . . 2 ASN HB2 . 15143 1 4 . 1 1 2 2 ASN HB3 H 1 2.95 0.03 . 2 . . . . 2 ASN HB3 . 15143 1 5 . 1 1 3 3 CYS H H 1 9.04 0.03 . 1 . . . . 3 CYS H . 15143 1 6 . 1 1 3 3 CYS HA H 1 4.55 0.03 . 1 . . . . 3 CYS HA . 15143 1 7 . 1 1 3 3 CYS HB2 H 1 2.97 0.03 . 2 . . . . 3 CYS HB2 . 15143 1 8 . 1 1 3 3 CYS HB3 H 1 3.25 0.03 . 2 . . . . 3 CYS HB3 . 15143 1 9 . 1 1 4 4 GLY H H 1 8.81 0.03 . 1 . . . . 4 GLY H . 15143 1 10 . 1 1 4 4 GLY HA2 H 1 3.92 0.03 . 2 . . . . 4 GLY HA2 . 15143 1 11 . 1 1 4 4 GLY HA3 H 1 4.03 0.03 . 2 . . . . 4 GLY HA3 . 15143 1 12 . 1 1 5 5 GLN H H 1 8.01 0.03 . 1 . . . . 5 GLN H . 15143 1 13 . 1 1 5 5 GLN HA H 1 4.23 0.03 . 1 . . . . 5 GLN HA . 15143 1 14 . 1 1 5 5 GLN HB2 H 1 2.37 0.03 . 2 . . . . 5 GLN HB2 . 15143 1 15 . 1 1 6 6 VAL H H 1 7.61 0.03 . 1 . . . . 6 VAL H . 15143 1 16 . 1 1 6 6 VAL HA H 1 3.59 0.03 . 1 . . . . 6 VAL HA . 15143 1 17 . 1 1 6 6 VAL HB H 1 2.27 0.03 . 1 . . . . 6 VAL HB . 15143 1 18 . 1 1 7 7 ASP H H 1 8.53 0.03 . 1 . . . . 7 ASP H . 15143 1 19 . 1 1 7 7 ASP HA H 1 4.05 0.03 . 1 . . . . 7 ASP HA . 15143 1 20 . 1 1 8 8 SER H H 1 8.29 0.03 . 1 . . . . 8 SER H . 15143 1 21 . 1 1 9 9 LYS H H 1 7.97 0.03 . 1 . . . . 9 LYS H . 15143 1 22 . 1 1 9 9 LYS HA H 1 4.17 0.03 . 1 . . . . 9 LYS HA . 15143 1 23 . 1 1 9 9 LYS HB2 H 1 1.97 0.03 . 2 . . . . 9 LYS HB2 . 15143 1 24 . 1 1 10 10 MET H H 1 7.32 0.03 . 1 . . . . 10 MET H . 15143 1 25 . 1 1 10 10 MET HA H 1 4.69 0.03 . 1 . . . . 10 MET HA . 15143 1 26 . 1 1 10 10 MET HB2 H 1 1.96 0.03 . 2 . . . . 10 MET HB2 . 15143 1 27 . 1 1 10 10 MET HB3 H 1 2.04 0.03 . 2 . . . . 10 MET HB3 . 15143 1 28 . 1 1 11 11 LYS H H 1 7.49 0.03 . 1 . . . . 11 LYS H . 15143 1 29 . 1 1 11 11 LYS HA H 1 4.08 0.03 . 1 . . . . 11 LYS HA . 15143 1 30 . 1 1 11 11 LYS HB2 H 1 1.98 0.03 . 2 . . . . 11 LYS HB2 . 15143 1 31 . 1 1 13 13 CYS H H 1 8.97 0.03 . 1 . . . . 13 CYS H . 15143 1 32 . 1 1 13 13 CYS HA H 1 4.84 0.03 . 1 . . . . 13 CYS HA . 15143 1 33 . 1 1 13 13 CYS HB2 H 1 3.35 0.03 . 2 . . . . 13 CYS HB2 . 15143 1 34 . 1 1 13 13 CYS HB3 H 1 3.24 0.03 . 2 . . . . 13 CYS HB3 . 15143 1 35 . 1 1 14 14 LEU H H 1 8.41 0.03 . 1 . . . . 14 LEU H . 15143 1 36 . 1 1 14 14 LEU HA H 1 4.11 0.03 . 1 . . . . 14 LEU HA . 15143 1 37 . 1 1 15 15 THR H H 1 8.40 0.03 . 1 . . . . 15 THR H . 15143 1 38 . 1 1 15 15 THR HA H 1 4.13 0.03 . 1 . . . . 15 THR HA . 15143 1 39 . 1 1 15 15 THR HB H 1 4.29 0.03 . 1 . . . . 15 THR HB . 15143 1 40 . 1 1 15 15 THR HG21 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 41 . 1 1 15 15 THR HG22 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 42 . 1 1 15 15 THR HG23 H 1 1.43 0.03 . 1 . . . . 15 THR HG2 . 15143 1 43 . 1 1 16 16 TYR H H 1 7.35 0.03 . 1 . . . . 16 TYR H . 15143 1 44 . 1 1 16 16 TYR HA H 1 4.55 0.03 . 1 . . . . 16 TYR HA . 15143 1 45 . 1 1 16 16 TYR HB2 H 1 3.06 0.03 . 2 . . . . 16 TYR HB2 . 15143 1 46 . 1 1 16 16 TYR HB3 H 1 3.52 0.03 . 2 . . . . 16 TYR HB3 . 15143 1 47 . 1 1 17 17 VAL H H 1 8.29 0.03 . 1 . . . . 17 VAL H . 15143 1 48 . 1 1 17 17 VAL HA H 1 3.84 0.03 . 1 . . . . 17 VAL HA . 15143 1 49 . 1 1 17 17 VAL HB H 1 2.46 0.03 . 1 . . . . 17 VAL HB . 15143 1 50 . 1 1 18 18 GLN H H 1 7.58 0.03 . 1 . . . . 18 GLN H . 15143 1 51 . 1 1 18 18 GLN HA H 1 4.75 0.03 . 1 . . . . 18 GLN HA . 15143 1 52 . 1 1 18 18 GLN HB2 H 1 2.13 0.03 . 2 . . . . 18 GLN HB2 . 15143 1 53 . 1 1 19 19 GLY H H 1 8.34 0.03 . 1 . . . . 19 GLY H . 15143 1 54 . 1 1 19 19 GLY HA2 H 1 3.72 0.03 . 2 . . . . 19 GLY HA2 . 15143 1 55 . 1 1 19 19 GLY HA3 H 1 4.47 0.03 . 2 . . . . 19 GLY HA3 . 15143 1 56 . 1 1 20 20 GLY H H 1 7.78 0.03 . 1 . . . . 20 GLY H . 15143 1 57 . 1 1 20 20 GLY HA2 H 1 3.46 0.03 . 2 . . . . 20 GLY HA2 . 15143 1 58 . 1 1 20 20 GLY HA3 H 1 4.61 0.03 . 2 . . . . 20 GLY HA3 . 15143 1 59 . 1 1 22 22 GLY H H 1 8.15 0.03 . 1 . . . . 22 GLY H . 15143 1 60 . 1 1 22 22 GLY HA2 H 1 3.24 0.03 . 2 . . . . 22 GLY HA2 . 15143 1 61 . 1 1 22 22 GLY HA3 H 1 4.13 0.03 . 2 . . . . 22 GLY HA3 . 15143 1 62 . 1 1 24 24 SER H H 1 8.93 0.03 . 1 . . . . 24 SER H . 15143 1 63 . 1 1 24 24 SER HA H 1 4.44 0.03 . 1 . . . . 24 SER HA . 15143 1 64 . 1 1 24 24 SER HB2 H 1 4.15 0.03 . 2 . . . . 24 SER HB2 . 15143 1 65 . 1 1 25 25 GLY H H 1 9.05 0.03 . 1 . . . . 25 GLY H . 15143 1 66 . 1 1 25 25 GLY HA2 H 1 3.80 0.03 . 2 . . . . 25 GLY HA2 . 15143 1 67 . 1 1 25 25 GLY HA3 H 1 3.96 0.03 . 2 . . . . 25 GLY HA3 . 15143 1 68 . 1 1 26 26 GLU H H 1 8.56 0.03 . 1 . . . . 26 GLU H . 15143 1 69 . 1 1 26 26 GLU HA H 1 4.16 0.03 . 1 . . . . 26 GLU HA . 15143 1 70 . 1 1 26 26 GLU HB2 H 1 2.01 0.03 . 2 . . . . 26 GLU HB2 . 15143 1 71 . 1 1 26 26 GLU HB3 H 1 2.07 0.03 . 2 . . . . 26 GLU HB3 . 15143 1 72 . 1 1 27 27 CYS H H 1 7.99 0.03 . 1 . . . . 27 CYS H . 15143 1 73 . 1 1 27 27 CYS HA H 1 4.34 0.03 . 1 . . . . 27 CYS HA . 15143 1 74 . 1 1 27 27 CYS HB2 H 1 3.32 0.03 . 2 . . . . 27 CYS HB2 . 15143 1 75 . 1 1 27 27 CYS HB3 H 1 2.89 0.03 . 2 . . . . 27 CYS HB3 . 15143 1 76 . 1 1 28 28 CYS H H 1 8.17 0.03 . 1 . . . . 28 CYS H . 15143 1 77 . 1 1 28 28 CYS HA H 1 4.69 0.03 . 1 . . . . 28 CYS HA . 15143 1 78 . 1 1 28 28 CYS HB2 H 1 2.83 0.03 . 2 . . . . 28 CYS HB2 . 15143 1 79 . 1 1 28 28 CYS HB3 H 1 3.03 0.03 . 2 . . . . 28 CYS HB3 . 15143 1 80 . 1 1 29 29 ASN H H 1 8.81 0.03 . 1 . . . . 29 ASN H . 15143 1 81 . 1 1 29 29 ASN HA H 1 4.46 0.03 . 1 . . . . 29 ASN HA . 15143 1 82 . 1 1 29 29 ASN HB2 H 1 2.94 0.03 . 2 . . . . 29 ASN HB2 . 15143 1 83 . 1 1 29 29 ASN HB3 H 1 2.90 0.03 . 2 . . . . 29 ASN HB3 . 15143 1 84 . 1 1 30 30 GLY H H 1 7.98 0.03 . 1 . . . . 30 GLY H . 15143 1 85 . 1 1 30 30 GLY HA2 H 1 3.87 0.03 . 2 . . . . 30 GLY HA2 . 15143 1 86 . 1 1 30 30 GLY HA3 H 1 4.13 0.03 . 2 . . . . 30 GLY HA3 . 15143 1 87 . 1 1 31 31 VAL H H 1 7.98 0.03 . 1 . . . . 31 VAL H . 15143 1 88 . 1 1 31 31 VAL HA H 1 3.75 0.03 . 1 . . . . 31 VAL HA . 15143 1 89 . 1 1 31 31 VAL HB H 1 2.13 0.03 . 1 . . . . 31 VAL HB . 15143 1 90 . 1 1 32 32 ARG H H 1 8.46 0.03 . 1 . . . . 32 ARG H . 15143 1 91 . 1 1 32 32 ARG HA H 1 3.86 0.03 . 1 . . . . 32 ARG HA . 15143 1 92 . 1 1 33 33 ASP H H 1 8.45 0.03 . 1 . . . . 33 ASP H . 15143 1 93 . 1 1 33 33 ASP HA H 1 4.40 0.03 . 1 . . . . 33 ASP HA . 15143 1 94 . 1 1 33 33 ASP HB2 H 1 3.01 0.03 . 2 . . . . 33 ASP HB2 . 15143 1 95 . 1 1 33 33 ASP HB3 H 1 2.76 0.03 . 2 . . . . 33 ASP HB3 . 15143 1 96 . 1 1 34 34 LEU H H 1 8.11 0.03 . 1 . . . . 34 LEU H . 15143 1 97 . 1 1 34 34 LEU HA H 1 4.01 0.03 . 1 . . . . 34 LEU HA . 15143 1 98 . 1 1 34 34 LEU HB2 H 1 1.62 0.03 . 2 . . . . 34 LEU HB2 . 15143 1 99 . 1 1 36 36 ASN H H 1 8.45 0.03 . 1 . . . . 36 ASN H . 15143 1 100 . 1 1 36 36 ASN HA H 1 4.47 0.03 . 1 . . . . 36 ASN HA . 15143 1 101 . 1 1 36 36 ASN HB2 H 1 2.93 0.03 . 2 . . . . 36 ASN HB2 . 15143 1 102 . 1 1 36 36 ASN HB3 H 1 3.05 0.03 . 2 . . . . 36 ASN HB3 . 15143 1 103 . 1 1 37 37 GLN H H 1 8.14 0.03 . 1 . . . . 37 GLN H . 15143 1 104 . 1 1 37 37 GLN HA H 1 4.26 0.03 . 1 . . . . 37 GLN HA . 15143 1 105 . 1 1 37 37 GLN HB2 H 1 2.10 0.03 . 2 . . . . 37 GLN HB2 . 15143 1 106 . 1 1 37 37 GLN HB3 H 1 2.17 0.03 . 2 . . . . 37 GLN HB3 . 15143 1 107 . 1 1 38 38 ALA H H 1 7.48 0.03 . 1 . . . . 38 ALA H . 15143 1 108 . 1 1 38 38 ALA HA H 1 4.52 0.03 . 1 . . . . 38 ALA HA . 15143 1 109 . 1 1 38 38 ALA HB1 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 110 . 1 1 38 38 ALA HB2 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 111 . 1 1 38 38 ALA HB3 H 1 1.24 0.03 . 1 . . . . 38 ALA HB . 15143 1 112 . 1 1 39 39 GLN H H 1 8.43 0.03 . 1 . . . . 39 GLN H . 15143 1 113 . 1 1 39 39 GLN HA H 1 4.33 0.03 . 1 . . . . 39 GLN HA . 15143 1 114 . 1 1 39 39 GLN HB2 H 1 2.27 0.03 . 2 . . . . 39 GLN HB2 . 15143 1 115 . 1 1 40 40 SER H H 1 8.40 0.03 . 1 . . . . 40 SER H . 15143 1 116 . 1 1 40 40 SER HA H 1 4.74 0.03 . 1 . . . . 40 SER HA . 15143 1 117 . 1 1 41 41 SER H H 1 9.10 0.03 . 1 . . . . 41 SER H . 15143 1 118 . 1 1 41 41 SER HA H 1 4.14 0.03 . 1 . . . . 41 SER HA . 15143 1 119 . 1 1 41 41 SER HB2 H 1 3.96 0.03 . 2 . . . . 41 SER HB2 . 15143 1 120 . 1 1 41 41 SER HB3 H 1 3.99 0.03 . 2 . . . . 41 SER HB3 . 15143 1 121 . 1 1 42 42 GLY H H 1 8.59 0.03 . 1 . . . . 42 GLY H . 15143 1 122 . 1 1 42 42 GLY HA2 H 1 3.87 0.03 . 2 . . . . 42 GLY HA2 . 15143 1 123 . 1 1 42 42 GLY HA3 H 1 3.96 0.03 . 2 . . . . 42 GLY HA3 . 15143 1 124 . 1 1 43 43 ASP H H 1 7.98 0.03 . 1 . . . . 43 ASP H . 15143 1 125 . 1 1 43 43 ASP HA H 1 4.55 0.03 . 1 . . . . 43 ASP HA . 15143 1 126 . 1 1 43 43 ASP HB2 H 1 2.52 0.03 . 2 . . . . 43 ASP HB2 . 15143 1 127 . 1 1 43 43 ASP HB3 H 1 2.79 0.03 . 2 . . . . 43 ASP HB3 . 15143 1 128 . 1 1 44 44 ARG H H 1 8.34 0.03 . 1 . . . . 44 ARG H . 15143 1 129 . 1 1 44 44 ARG HA H 1 3.88 0.03 . 1 . . . . 44 ARG HA . 15143 1 130 . 1 1 44 44 ARG HB2 H 1 1.80 0.03 . 2 . . . . 44 ARG HB2 . 15143 1 131 . 1 1 44 44 ARG HB3 H 1 1.99 0.03 . 2 . . . . 44 ARG HB3 . 15143 1 132 . 1 1 45 45 GLN H H 1 8.50 0.03 . 1 . . . . 45 GLN H . 15143 1 133 . 1 1 45 45 GLN HA H 1 3.83 0.03 . 1 . . . . 45 GLN HA . 15143 1 134 . 1 1 45 45 GLN HB2 H 1 2.18 0.03 . 2 . . . . 45 GLN HB2 . 15143 1 135 . 1 1 45 45 GLN HB3 H 1 2.13 0.03 . 2 . . . . 45 GLN HB3 . 15143 1 136 . 1 1 46 46 THR H H 1 8.33 0.03 . 1 . . . . 46 THR H . 15143 1 137 . 1 1 46 46 THR HA H 1 4.06 0.03 . 1 . . . . 46 THR HA . 15143 1 138 . 1 1 46 46 THR HB H 1 4.43 0.03 . 1 . . . . 46 THR HB . 15143 1 139 . 1 1 47 47 VAL H H 1 8.33 0.03 . 1 . . . . 47 VAL H . 15143 1 140 . 1 1 47 47 VAL HA H 1 3.24 0.03 . 1 . . . . 47 VAL HA . 15143 1 141 . 1 1 47 47 VAL HB H 1 2.14 0.03 . 1 . . . . 47 VAL HB . 15143 1 142 . 1 1 49 49 ASN H H 1 8.59 0.03 . 1 . . . . 49 ASN H . 15143 1 143 . 1 1 49 49 ASN HA H 1 4.40 0.03 . 1 . . . . 49 ASN HA . 15143 1 144 . 1 1 49 49 ASN HB2 H 1 2.72 0.03 . 2 . . . . 49 ASN HB2 . 15143 1 145 . 1 1 49 49 ASN HB3 H 1 2.87 0.03 . 2 . . . . 49 ASN HB3 . 15143 1 146 . 1 1 50 50 CYS H H 1 8.96 0.03 . 1 . . . . 50 CYS H . 15143 1 147 . 1 1 50 50 CYS HA H 1 4.65 0.03 . 1 . . . . 50 CYS HA . 15143 1 148 . 1 1 50 50 CYS HB2 H 1 3.12 0.03 . 2 . . . . 50 CYS HB2 . 15143 1 149 . 1 1 51 51 LEU H H 1 8.76 0.03 . 1 . . . . 51 LEU H . 15143 1 150 . 1 1 51 51 LEU HA H 1 3.96 0.03 . 1 . . . . 51 LEU HA . 15143 1 151 . 1 1 51 51 LEU HB2 H 1 2.23 0.03 . 2 . . . . 51 LEU HB2 . 15143 1 152 . 1 1 52 52 LYS H H 1 8.17 0.03 . 1 . . . . 52 LYS H . 15143 1 153 . 1 1 52 52 LYS HA H 1 4.33 0.03 . 1 . . . . 52 LYS HA . 15143 1 154 . 1 1 53 53 GLY H H 1 7.81 0.03 . 1 . . . . 53 GLY H . 15143 1 155 . 1 1 53 53 GLY HA2 H 1 3.83 0.03 . 2 . . . . 53 GLY HA2 . 15143 1 156 . 1 1 53 53 GLY HA3 H 1 4.04 0.03 . 2 . . . . 53 GLY HA3 . 15143 1 157 . 1 1 54 54 ILE H H 1 8.47 0.03 . 1 . . . . 54 ILE H . 15143 1 158 . 1 1 54 54 ILE HA H 1 3.76 0.03 . 1 . . . . 54 ILE HA . 15143 1 159 . 1 1 55 55 ALA H H 1 8.53 0.03 . 1 . . . . 55 ALA H . 15143 1 160 . 1 1 55 55 ALA HA H 1 3.81 0.03 . 1 . . . . 55 ALA HA . 15143 1 161 . 1 1 55 55 ALA HB1 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 162 . 1 1 55 55 ALA HB2 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 163 . 1 1 55 55 ALA HB3 H 1 1.29 0.03 . 1 . . . . 55 ALA HB . 15143 1 164 . 1 1 56 56 ARG H H 1 7.59 0.03 . 1 . . . . 56 ARG H . 15143 1 165 . 1 1 56 56 ARG HA H 1 4.07 0.03 . 1 . . . . 56 ARG HA . 15143 1 166 . 1 1 56 56 ARG HB2 H 1 1.96 0.03 . 2 . . . . 56 ARG HB2 . 15143 1 167 . 1 1 57 57 GLY H H 1 7.69 0.03 . 1 . . . . 57 GLY H . 15143 1 168 . 1 1 57 57 GLY HA2 H 1 3.64 0.03 . 2 . . . . 57 GLY HA2 . 15143 1 169 . 1 1 57 57 GLY HA3 H 1 4.28 0.03 . 2 . . . . 57 GLY HA3 . 15143 1 170 . 1 1 58 58 ILE H H 1 7.10 0.03 . 1 . . . . 58 ILE H . 15143 1 171 . 1 1 58 58 ILE HA H 1 4.09 0.03 . 1 . . . . 58 ILE HA . 15143 1 172 . 1 1 58 58 ILE HB H 1 1.86 0.03 . 1 . . . . 58 ILE HB . 15143 1 173 . 1 1 59 59 HIS H H 1 8.72 0.03 . 1 . . . . 59 HIS H . 15143 1 174 . 1 1 59 59 HIS HA H 1 4.56 0.03 . 1 . . . . 59 HIS HA . 15143 1 175 . 1 1 59 59 HIS HB2 H 1 3.22 0.03 . 2 . . . . 59 HIS HB2 . 15143 1 176 . 1 1 60 60 ASN H H 1 8.75 0.03 . 1 . . . . 60 ASN H . 15143 1 177 . 1 1 60 60 ASN HA H 1 4.44 0.03 . 1 . . . . 60 ASN HA . 15143 1 178 . 1 1 60 60 ASN HB2 H 1 2.81 0.03 . 2 . . . . 60 ASN HB2 . 15143 1 179 . 1 1 60 60 ASN HB3 H 1 2.92 0.03 . 2 . . . . 60 ASN HB3 . 15143 1 180 . 1 1 61 61 LEU H H 1 7.36 0.03 . 1 . . . . 61 LEU H . 15143 1 181 . 1 1 61 61 LEU HA H 1 3.88 0.03 . 1 . . . . 61 LEU HA . 15143 1 182 . 1 1 61 61 LEU HB2 H 1 1.71 0.03 . 2 . . . . 61 LEU HB2 . 15143 1 183 . 1 1 62 62 ASN H H 1 9.12 0.03 . 1 . . . . 62 ASN H . 15143 1 184 . 1 1 62 62 ASN HA H 1 4.77 0.03 . 1 . . . . 62 ASN HA . 15143 1 185 . 1 1 62 62 ASN HB2 H 1 2.41 0.03 . 2 . . . . 62 ASN HB2 . 15143 1 186 . 1 1 62 62 ASN HB3 H 1 2.69 0.03 . 2 . . . . 62 ASN HB3 . 15143 1 187 . 1 1 63 63 LEU H H 1 8.54 0.03 . 1 . . . . 63 LEU H . 15143 1 188 . 1 1 63 63 LEU HA H 1 3.86 0.03 . 1 . . . . 63 LEU HA . 15143 1 189 . 1 1 63 63 LEU HB2 H 1 1.61 0.03 . 2 . . . . 63 LEU HB2 . 15143 1 190 . 1 1 64 64 ASN H H 1 8.29 0.03 . 1 . . . . 64 ASN H . 15143 1 191 . 1 1 64 64 ASN HA H 1 4.45 0.03 . 1 . . . . 64 ASN HA . 15143 1 192 . 1 1 64 64 ASN HB2 H 1 2.87 0.03 . 2 . . . . 64 ASN HB2 . 15143 1 193 . 1 1 65 65 ASN H H 1 8.51 0.03 . 1 . . . . 65 ASN H . 15143 1 194 . 1 1 65 65 ASN HA H 1 4.18 0.03 . 1 . . . . 65 ASN HA . 15143 1 195 . 1 1 66 66 ALA H H 1 8.18 0.03 . 1 . . . . 66 ALA H . 15143 1 196 . 1 1 66 66 ALA HA H 1 3.89 0.03 . 1 . . . . 66 ALA HA . 15143 1 197 . 1 1 66 66 ALA HB1 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 198 . 1 1 66 66 ALA HB2 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 199 . 1 1 66 66 ALA HB3 H 1 1.38 0.03 . 1 . . . . 66 ALA HB . 15143 1 200 . 1 1 67 67 ALA H H 1 8.00 0.03 . 1 . . . . 67 ALA H . 15143 1 201 . 1 1 67 67 ALA HA H 1 4.34 0.03 . 1 . . . . 67 ALA HA . 15143 1 202 . 1 1 67 67 ALA HB1 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 203 . 1 1 67 67 ALA HB2 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 204 . 1 1 67 67 ALA HB3 H 1 1.60 0.03 . 1 . . . . 67 ALA HB . 15143 1 205 . 1 1 68 68 SER H H 1 7.79 0.03 . 1 . . . . 68 SER H . 15143 1 206 . 1 1 68 68 SER HA H 1 4.59 0.03 . 1 . . . . 68 SER HA . 15143 1 207 . 1 1 68 68 SER HB2 H 1 4.10 0.03 . 2 . . . . 68 SER HB2 . 15143 1 208 . 1 1 68 68 SER HB3 H 1 4.32 0.03 . 2 . . . . 68 SER HB3 . 15143 1 209 . 1 1 69 69 ILE H H 1 7.32 0.03 . 1 . . . . 69 ILE H . 15143 1 210 . 1 1 69 69 ILE HA H 1 3.73 0.03 . 1 . . . . 69 ILE HA . 15143 1 211 . 1 1 69 69 ILE HB H 1 2.05 0.03 . 1 . . . . 69 ILE HB . 15143 1 212 . 1 1 71 71 SER H H 1 8.00 0.03 . 1 . . . . 71 SER H . 15143 1 213 . 1 1 71 71 SER HA H 1 4.29 0.03 . 1 . . . . 71 SER HA . 15143 1 214 . 1 1 71 71 SER HB2 H 1 3.99 0.03 . 2 . . . . 71 SER HB2 . 15143 1 215 . 1 1 72 72 LYS H H 1 8.51 0.03 . 1 . . . . 72 LYS H . 15143 1 216 . 1 1 72 72 LYS HA H 1 4.18 0.03 . 1 . . . . 72 LYS HA . 15143 1 217 . 1 1 72 72 LYS HB2 H 1 1.64 0.03 . 2 . . . . 72 LYS HB2 . 15143 1 218 . 1 1 72 72 LYS HB3 H 1 1.85 0.03 . 2 . . . . 72 LYS HB3 . 15143 1 219 . 1 1 73 73 CYS H H 1 8.10 0.03 . 1 . . . . 73 CYS H . 15143 1 220 . 1 1 73 73 CYS HA H 1 4.82 0.03 . 1 . . . . 73 CYS HA . 15143 1 221 . 1 1 73 73 CYS HB2 H 1 3.01 0.03 . 2 . . . . 73 CYS HB2 . 15143 1 222 . 1 1 73 73 CYS HB3 H 1 2.66 0.03 . 2 . . . . 73 CYS HB3 . 15143 1 223 . 1 1 74 74 ASN H H 1 7.95 0.03 . 1 . . . . 74 ASN H . 15143 1 224 . 1 1 74 74 ASN HA H 1 4.35 0.03 . 1 . . . . 74 ASN HA . 15143 1 225 . 1 1 74 74 ASN HB2 H 1 2.71 0.03 . 2 . . . . 74 ASN HB2 . 15143 1 226 . 1 1 74 74 ASN HB3 H 1 3.16 0.03 . 2 . . . . 74 ASN HB3 . 15143 1 227 . 1 1 75 75 VAL H H 1 8.40 0.03 . 1 . . . . 75 VAL H . 15143 1 228 . 1 1 75 75 VAL HA H 1 4.09 0.03 . 1 . . . . 75 VAL HA . 15143 1 229 . 1 1 75 75 VAL HB H 1 1.46 0.03 . 1 . . . . 75 VAL HB . 15143 1 230 . 1 1 76 76 ASN H H 1 8.38 0.03 . 1 . . . . 76 ASN H . 15143 1 231 . 1 1 76 76 ASN HA H 1 4.58 0.03 . 1 . . . . 76 ASN HA . 15143 1 232 . 1 1 76 76 ASN HB2 H 1 2.58 0.03 . 2 . . . . 76 ASN HB2 . 15143 1 233 . 1 1 76 76 ASN HB3 H 1 2.71 0.03 . 2 . . . . 76 ASN HB3 . 15143 1 234 . 1 1 77 77 VAL H H 1 7.67 0.03 . 1 . . . . 77 VAL H . 15143 1 235 . 1 1 77 77 VAL HA H 1 4.37 0.03 . 1 . . . . 77 VAL HA . 15143 1 236 . 1 1 77 77 VAL HB H 1 1.58 0.03 . 1 . . . . 77 VAL HB . 15143 1 237 . 1 1 79 79 TYR H H 1 6.71 0.03 . 1 . . . . 79 TYR H . 15143 1 238 . 1 1 79 79 TYR HA H 1 4.80 0.03 . 1 . . . . 79 TYR HA . 15143 1 239 . 1 1 79 79 TYR HB2 H 1 2.97 0.03 . 2 . . . . 79 TYR HB2 . 15143 1 240 . 1 1 79 79 TYR HB3 H 1 3.02 0.03 . 2 . . . . 79 TYR HB3 . 15143 1 241 . 1 1 80 80 THR H H 1 8.21 0.03 . 1 . . . . 80 THR H . 15143 1 242 . 1 1 80 80 THR HA H 1 4.51 0.03 . 1 . . . . 80 THR HA . 15143 1 243 . 1 1 80 80 THR HB H 1 4.05 0.03 . 1 . . . . 80 THR HB . 15143 1 244 . 1 1 81 81 ILE H H 1 9.02 0.03 . 1 . . . . 81 ILE H . 15143 1 245 . 1 1 81 81 ILE HA H 1 3.76 0.03 . 1 . . . . 81 ILE HA . 15143 1 246 . 1 1 81 81 ILE HB H 1 1.87 0.03 . 1 . . . . 81 ILE HB . 15143 1 247 . 1 1 82 82 SER H H 1 7.23 0.03 . 1 . . . . 82 SER H . 15143 1 248 . 1 1 82 82 SER HA H 1 4.63 0.03 . 1 . . . . 82 SER HA . 15143 1 249 . 1 1 82 82 SER HB2 H 1 3.67 0.03 . 2 . . . . 82 SER HB2 . 15143 1 250 . 1 1 82 82 SER HB3 H 1 4.09 0.03 . 2 . . . . 82 SER HB3 . 15143 1 251 . 1 1 84 84 ASP H H 1 8.12 0.03 . 1 . . . . 84 ASP H . 15143 1 252 . 1 1 84 84 ASP HA H 1 4.90 0.03 . 1 . . . . 84 ASP HA . 15143 1 253 . 1 1 84 84 ASP HB2 H 1 2.84 0.03 . 2 . . . . 84 ASP HB2 . 15143 1 254 . 1 1 84 84 ASP HB3 H 1 2.44 0.03 . 2 . . . . 84 ASP HB3 . 15143 1 255 . 1 1 85 85 ILE H H 1 6.83 0.03 . 1 . . . . 85 ILE H . 15143 1 256 . 1 1 85 85 ILE HA H 1 3.91 0.03 . 1 . . . . 85 ILE HA . 15143 1 257 . 1 1 85 85 ILE HB H 1 1.73 0.03 . 1 . . . . 85 ILE HB . 15143 1 258 . 1 1 86 86 ASP H H 1 8.29 0.03 . 1 . . . . 86 ASP H . 15143 1 259 . 1 1 86 86 ASP HA H 1 4.85 0.03 . 1 . . . . 86 ASP HA . 15143 1 260 . 1 1 86 86 ASP HB2 H 1 2.64 0.03 . 2 . . . . 86 ASP HB2 . 15143 1 261 . 1 1 86 86 ASP HB3 H 1 2.93 0.03 . 2 . . . . 86 ASP HB3 . 15143 1 262 . 1 1 87 87 CYS H H 1 8.57 0.03 . 1 . . . . 87 CYS H . 15143 1 263 . 1 1 87 87 CYS HA H 1 4.48 0.03 . 1 . . . . 87 CYS HA . 15143 1 264 . 1 1 87 87 CYS HB2 H 1 3.11 0.03 . 2 . . . . 87 CYS HB2 . 15143 1 265 . 1 1 87 87 CYS HB3 H 1 2.85 0.03 . 2 . . . . 87 CYS HB3 . 15143 1 266 . 1 1 88 88 SER H H 1 8.45 0.03 . 1 . . . . 88 SER H . 15143 1 267 . 1 1 88 88 SER HA H 1 4.23 0.03 . 1 . . . . 88 SER HA . 15143 1 268 . 1 1 88 88 SER HB2 H 1 4.00 0.03 . 2 . . . . 88 SER HB2 . 15143 1 269 . 1 1 89 89 ARG H H 1 7.46 0.03 . 1 . . . . 89 ARG H . 15143 1 270 . 1 1 89 89 ARG HA H 1 4.46 0.03 . 1 . . . . 89 ARG HA . 15143 1 271 . 1 1 89 89 ARG HB2 H 1 2.06 0.03 . 2 . . . . 89 ARG HB2 . 15143 1 272 . 1 1 89 89 ARG HB3 H 1 1.56 0.03 . 2 . . . . 89 ARG HB3 . 15143 1 273 . 1 1 90 90 ILE H H 1 7.21 0.03 . 1 . . . . 90 ILE H . 15143 1 274 . 1 1 90 90 ILE HA H 1 4.13 0.03 . 1 . . . . 90 ILE HA . 15143 1 275 . 1 1 90 90 ILE HB H 1 1.99 0.03 . 1 . . . . 90 ILE HB . 15143 1 276 . 1 1 91 91 TYR H H 1 7.59 0.03 . 1 . . . . 91 TYR H . 15143 1 277 . 1 1 91 91 TYR HA H 1 4.48 0.03 . 1 . . . . 91 TYR HA . 15143 1 278 . 1 1 91 91 TYR HB2 H 1 2.90 0.03 . 2 . . . . 91 TYR HB2 . 15143 1 279 . 1 1 91 91 TYR HB3 H 1 3.15 0.03 . 2 . . . . 91 TYR HB3 . 15143 1 stop_ save_