data_16294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16294 _Entry.Title ; 1H (NH, HA, HB, other) Chemical Shift Assignments of Peach Pru p 3, Non-Specific Lipid Transfer Protein (nsLTP) isolated from Peach fruit skin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-08 _Entry.Accession_date 2009-05-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 . . . 16294 2 Yuri Alexeev . . . 16294 3 Phil Johnson . A. . 16294 4 Justin Marsh . A. . 16294 5 Ana Sancho . I. . 16294 6 Alan Mackie . R. . 16294 7 Peter Shewry . R. . 16294 8 Lorna Smith . J. . 16294 9 'E. N' Mills . Clare . 16294 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 . 'not applicable' 'not applicable' . 16294 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Rothamsted Research' . 16294 . . 'IFR Norwich' . 16294 1 . 'Inorganic Chemistry Laboratory, LJS group Oxford' . 16294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 332 16294 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 2 . . 2010-05-20 2009-05-08 update BMRB 'complete entry citation' 16294 1 . . 2010-03-01 2009-05-08 original author 'orginal release' 16294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ALG 'entry containing coordinates for peach Pru p 3' 16294 stop_ save_ ############### # Citations # ############### save_cited_reference_1_within_the_entry _Citation.Sf_category citations _Citation.Sf_framecode cited_reference_1_within_the_entry _Citation.Entry_ID 16294 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16388823 _Citation.Full_citation . _Citation.Title 'Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 356 _Citation.Journal_issue 3 _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 684 _Citation.Page_last 694 _Citation.Year 2006 _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 Nicola Pasquato . . . 16294 1 2 Rodolfo Berni . . . 16294 1 3 Claudia Folli . . . 16294 1 4 Silvia Folloni . . . 16294 1 5 Michele Cianci . . . 16294 1 6 Sergio Pantano . . . 16294 1 7 John Helliwell . R. . 16294 1 8 Giuseppe Zanotti . . . 16294 1 stop_ save_ save_Entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Entry_citation_1 _Citation.Entry_ID 16294 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20121231 _Citation.Full_citation . _Citation.Title 'The structural characteristics of nonspecific lipid transfer proteins explain their resistance to gastroduodenal proteolysis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 10 _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 2130 _Citation.Page_last 2139 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ramani Wijesinha-Bettoni . . . 16294 2 2 Yuri Alexeev . . . 16294 2 3 Phil Johnson . . . 16294 2 4 Justin Marsh . . . 16294 2 5 Ana Sancho . I. . 16294 2 6 Syed Abdullah . U. . 16294 2 7 Alan Mackie . R. . 16294 2 8 Peter Shewry . R. . 16294 2 9 Lorna Smith . J. . 16294 2 10 'E. N Clare' Mills . . . 16294 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16294 _Assembly.ID 1 _Assembly.Name 'Pru p 3 (nsLTP)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 9144 _Assembly.Enzyme_commission_number . _Assembly.Details 'non-specific lipid transfer protein of peach (Pru p 3)' _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 'non specific lipid transfer protein from peach (Pru p 3)' 1 $Pru_p_3_(nsLTP) A . yes native no no . . . 16294 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 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 16294 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 16294 1 3 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 16294 1 4 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 16294 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 16294 1 . . 1 1 CYS 87 87 HG . 87 CYS HG 16294 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 16294 1 . . 1 1 CYS 50 50 HG . 50 CYS HG 16294 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 16294 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 16294 1 . . 1 1 CYS 3 3 HG . 3 CYS HG 16294 1 . . 1 1 CYS 13 13 HG . 13 CYS HG 16294 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' 16294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pru_p_3_(nsLTP) _Entity.Sf_category entity _Entity.Sf_framecode Pru_p_3_(nsLTP) _Entity.Entry_ID 16294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pru_p_3_(nsLTP) _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 ; ITCGQVSSSLAPCIPYVRGG GAVPPACCNGIRNVNNLART TPDRQAACNCLKQLSASVPG VNPNNAAALPGKCGVSIPYK ISASTNCATVK ; _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2ALG . "Crystal Structure Of Peach Pru P3, The Prototypic Member Of The Family Of Plant Non-Specific Lipid Transfer Protein Pan-Allerge" . . . . . 100.00 92 100.00 100.00 7.34e-55 . . . . 16294 1 2 no PDB 2B5S . "Crystal Structure Of Peach Pru P3, The Prototypic Member Of The Family Of Plant Non-Specific Lipid Transfer Protein Pan-Allerge" . . . . . 100.00 92 100.00 100.00 7.34e-55 . . . . 16294 1 3 no EMBL CAB96876 . "pru p 1 [Prunus persica]" . . . . . 100.00 91 100.00 100.00 1.08e-54 . . . . 16294 1 4 no GB AAV40850 . "lipid transfer protein 1 precursor [Prunus persica]" . . . . . 100.00 117 98.90 98.90 1.07e-54 . . . . 16294 1 5 no GB AAV64877 . "non-specific lipid transfer protein [Prunus persica]" . . . . . 100.00 117 100.00 100.00 1.86e-55 . . . . 16294 1 6 no GB ACE80965 . "putative allergen Pru p 3.01 [Prunus dulcis x Prunus persica]" . . . . . 100.00 117 100.00 100.00 1.86e-55 . . . . 16294 1 7 no GB ADR66939 . "non-specific lipid transfer protein [Prunus persica]" . . . . . 100.00 117 100.00 100.00 1.86e-55 . . . . 16294 1 8 no GB ADR66940 . "non-specific lipid transfer protein [Prunus persica var. nucipersica]" . . . . . 100.00 117 100.00 100.00 1.86e-55 . . . . 16294 1 9 no REF XP_007206159 . "hypothetical protein PRUPE_ppa013554mg [Prunus persica]" . . . . . 100.00 117 100.00 100.00 1.86e-55 . . . . 16294 1 10 no SP P81402 . "RecName: Full=Non-specific lipid-transfer protein 1; Short=LTP 1; AltName: Full=Allergen Pru p 1; AltName: Full=Major allergen " . . . . . 100.00 91 97.80 98.90 1.06e-53 . . . . 16294 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' 16294 1 'probably involved in the inhibition of bacterial and fungal pathogens' 16294 1 'the transfer of lipids between membranes' 16294 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 . ILE . 16294 1 2 . THR . 16294 1 3 . CYS . 16294 1 4 . GLY . 16294 1 5 . GLN . 16294 1 6 . VAL . 16294 1 7 . SER . 16294 1 8 . SER . 16294 1 9 . SER . 16294 1 10 . LEU . 16294 1 11 . ALA . 16294 1 12 . PRO . 16294 1 13 . CYS . 16294 1 14 . ILE . 16294 1 15 . PRO . 16294 1 16 . TYR . 16294 1 17 . VAL . 16294 1 18 . ARG . 16294 1 19 . GLY . 16294 1 20 . GLY . 16294 1 21 . GLY . 16294 1 22 . ALA . 16294 1 23 . VAL . 16294 1 24 . PRO . 16294 1 25 . PRO . 16294 1 26 . ALA . 16294 1 27 . CYS . 16294 1 28 . CYS . 16294 1 29 . ASN . 16294 1 30 . GLY . 16294 1 31 . ILE . 16294 1 32 . ARG . 16294 1 33 . ASN . 16294 1 34 . VAL . 16294 1 35 . ASN . 16294 1 36 . ASN . 16294 1 37 . LEU . 16294 1 38 . ALA . 16294 1 39 . ARG . 16294 1 40 . THR . 16294 1 41 . THR . 16294 1 42 . PRO . 16294 1 43 . ASP . 16294 1 44 . ARG . 16294 1 45 . GLN . 16294 1 46 . ALA . 16294 1 47 . ALA . 16294 1 48 . CYS . 16294 1 49 . ASN . 16294 1 50 . CYS . 16294 1 51 . LEU . 16294 1 52 . LYS . 16294 1 53 . GLN . 16294 1 54 . LEU . 16294 1 55 . SER . 16294 1 56 . ALA . 16294 1 57 . SER . 16294 1 58 . VAL . 16294 1 59 . PRO . 16294 1 60 . GLY . 16294 1 61 . VAL . 16294 1 62 . ASN . 16294 1 63 . PRO . 16294 1 64 . ASN . 16294 1 65 . ASN . 16294 1 66 . ALA . 16294 1 67 . ALA . 16294 1 68 . ALA . 16294 1 69 . LEU . 16294 1 70 . PRO . 16294 1 71 . GLY . 16294 1 72 . LYS . 16294 1 73 . CYS . 16294 1 74 . GLY . 16294 1 75 . VAL . 16294 1 76 . SER . 16294 1 77 . ILE . 16294 1 78 . PRO . 16294 1 79 . TYR . 16294 1 80 . LYS . 16294 1 81 . ILE . 16294 1 82 . SER . 16294 1 83 . ALA . 16294 1 84 . SER . 16294 1 85 . THR . 16294 1 86 . ASN . 16294 1 87 . CYS . 16294 1 88 . ALA . 16294 1 89 . THR . 16294 1 90 . VAL . 16294 1 91 . LYS . 16294 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 . ILE 1 1 16294 1 . THR 2 2 16294 1 . CYS 3 3 16294 1 . GLY 4 4 16294 1 . GLN 5 5 16294 1 . VAL 6 6 16294 1 . SER 7 7 16294 1 . SER 8 8 16294 1 . SER 9 9 16294 1 . LEU 10 10 16294 1 . ALA 11 11 16294 1 . PRO 12 12 16294 1 . CYS 13 13 16294 1 . ILE 14 14 16294 1 . PRO 15 15 16294 1 . TYR 16 16 16294 1 . VAL 17 17 16294 1 . ARG 18 18 16294 1 . GLY 19 19 16294 1 . GLY 20 20 16294 1 . GLY 21 21 16294 1 . ALA 22 22 16294 1 . VAL 23 23 16294 1 . PRO 24 24 16294 1 . PRO 25 25 16294 1 . ALA 26 26 16294 1 . CYS 27 27 16294 1 . CYS 28 28 16294 1 . ASN 29 29 16294 1 . GLY 30 30 16294 1 . ILE 31 31 16294 1 . ARG 32 32 16294 1 . ASN 33 33 16294 1 . VAL 34 34 16294 1 . ASN 35 35 16294 1 . ASN 36 36 16294 1 . LEU 37 37 16294 1 . ALA 38 38 16294 1 . ARG 39 39 16294 1 . THR 40 40 16294 1 . THR 41 41 16294 1 . PRO 42 42 16294 1 . ASP 43 43 16294 1 . ARG 44 44 16294 1 . GLN 45 45 16294 1 . ALA 46 46 16294 1 . ALA 47 47 16294 1 . CYS 48 48 16294 1 . ASN 49 49 16294 1 . CYS 50 50 16294 1 . LEU 51 51 16294 1 . LYS 52 52 16294 1 . GLN 53 53 16294 1 . LEU 54 54 16294 1 . SER 55 55 16294 1 . ALA 56 56 16294 1 . SER 57 57 16294 1 . VAL 58 58 16294 1 . PRO 59 59 16294 1 . GLY 60 60 16294 1 . VAL 61 61 16294 1 . ASN 62 62 16294 1 . PRO 63 63 16294 1 . ASN 64 64 16294 1 . ASN 65 65 16294 1 . ALA 66 66 16294 1 . ALA 67 67 16294 1 . ALA 68 68 16294 1 . LEU 69 69 16294 1 . PRO 70 70 16294 1 . GLY 71 71 16294 1 . LYS 72 72 16294 1 . CYS 73 73 16294 1 . GLY 74 74 16294 1 . VAL 75 75 16294 1 . SER 76 76 16294 1 . ILE 77 77 16294 1 . PRO 78 78 16294 1 . TYR 79 79 16294 1 . LYS 80 80 16294 1 . ILE 81 81 16294 1 . SER 82 82 16294 1 . ALA 83 83 16294 1 . SER 84 84 16294 1 . THR 85 85 16294 1 . ASN 86 86 16294 1 . CYS 87 87 16294 1 . ALA 88 88 16294 1 . THR 89 89 16294 1 . VAL 90 90 16294 1 . LYS 91 91 16294 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 16294 _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 $Pru_p_3_(nsLTP) . 3760 organism . 'Prunus persica' peach . . Eukaryota Viridiplantae Prunus persica . . . . . . . . . . . . . . . . . . . . . 16294 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 16294 _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 $Pru_p_3_(nsLTP) . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . 'purified from skin of peach fruit' . . 16294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16294 _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 'Pru p 3 (nsLTP)' 'natural abundance' . . 1 $Pru_p_3_(nsLTP) . . . 2.0 3.0 mM 0.2 . . . 16294 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16294 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16294 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 16294 _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 5.3 0.1 pH 16294 1 temperature 310 1 K 16294 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 16294 _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 5.3 0.1 pH 16294 2 temperature 298 1 K 16294 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 16294 _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 4 0.1 pH 16294 3 temperature 298 1 K 16294 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 16294 _Sample_condition_list.ID 4 _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 6.5 0.1 pH 16294 4 temperature 293 1 K 16294 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 16294 _Sample_condition_list.ID 5 _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 1.8 0.1 pH 16294 5 temperature 310 1 K 16294 5 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16294 _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/ 16294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16294 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 16294 _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 ?,AM _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 16294 _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 ?,AM . 600 ; The home-built spectrometer consists of an Oxford Instruments magnet, the GE-Omega data acquisition software and home-built probe. ; . . 16294 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 16294 _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 . . . . . . . . . . . . . . . . 16294 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 6 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 10 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16294 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 16294 _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 . . . . . . . . 16294 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 16294 _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' . . . 16294 1 2 '2D 1H-1H COSY' . . . 16294 1 3 '2D 1H-1H NOESY' . . . 16294 1 4 '2D DQF-COSY' . . . 16294 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 THR H H 1 8.33 0.03 . 1 . . . . 2 THR H . 16294 1 2 . 1 1 2 2 THR HA H 1 4.88 0.03 . 1 . . . . 2 THR HA . 16294 1 3 . 1 1 2 2 THR HB H 1 4.62 0.03 . 1 . . . . 2 THR HB . 16294 1 4 . 1 1 2 2 THR HG21 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 5 . 1 1 2 2 THR HG22 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 6 . 1 1 2 2 THR HG23 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 7 . 1 1 3 3 CYS H H 1 9.39 0.03 . 1 . . . . 3 CYS H . 16294 1 8 . 1 1 3 3 CYS HA H 1 4.62 0.03 . 1 . . . . 3 CYS HA . 16294 1 9 . 1 1 3 3 CYS HB2 H 1 3.45 0.03 . . . . . . 3 CYS HB2 . 16294 1 10 . 1 1 3 3 CYS HB3 H 1 2.96 0.03 . . . . . . 3 CYS HB3 . 16294 1 11 . 1 1 4 4 GLY H H 1 8.79 0.03 . 1 . . . . 4 GLY H . 16294 1 12 . 1 1 4 4 GLY HA2 H 1 3.96 0.03 . . . . . . 4 GLY HA2 . 16294 1 13 . 1 1 5 5 GLN H H 1 7.71 0.03 . 1 . . . . 5 GLN H . 16294 1 14 . 1 1 5 5 GLN HA H 1 4.19 0.03 . 1 . . . . 5 GLN HA . 16294 1 15 . 1 1 5 5 GLN HB2 H 1 2.45 0.03 . . . . . . 5 GLN HB2 . 16294 1 16 . 1 1 5 5 GLN HB3 H 1 2.41 0.03 . . . . . . 5 GLN HB3 . 16294 1 17 . 1 1 6 6 VAL H H 1 7.65 0.03 . 1 . . . . 6 VAL H . 16294 1 18 . 1 1 6 6 VAL HA H 1 3.55 0.03 . 1 . . . . 6 VAL HA . 16294 1 19 . 1 1 6 6 VAL HB H 1 2.33 0.03 . 1 . . . . 6 VAL HB . 16294 1 20 . 1 1 6 6 VAL HG11 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 21 . 1 1 6 6 VAL HG12 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 22 . 1 1 6 6 VAL HG13 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 23 . 1 1 6 6 VAL HG21 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 24 . 1 1 6 6 VAL HG22 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 25 . 1 1 6 6 VAL HG23 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 26 . 1 1 7 7 SER H H 1 8.87 0.03 . 1 . . . . 7 SER H . 16294 1 27 . 1 1 7 7 SER HA H 1 3.95 0.03 . 1 . . . . 7 SER HA . 16294 1 28 . 1 1 7 7 SER HB2 H 1 3.98 0.03 . . . . . . 7 SER HB2 . 16294 1 29 . 1 1 8 8 SER H H 1 8.07 0.03 . 1 . . . . 8 SER H . 16294 1 30 . 1 1 8 8 SER HA H 1 4.29 0.03 . 1 . . . . 8 SER HA . 16294 1 31 . 1 1 8 8 SER HB2 H 1 3.99 0.03 . . . . . . 8 SER HB2 . 16294 1 32 . 1 1 9 9 SER H H 1 7.74 0.03 . 1 . . . . 9 SER H . 16294 1 33 . 1 1 9 9 SER HA H 1 4.35 0.03 . 1 . . . . 9 SER HA . 16294 1 34 . 1 1 9 9 SER HB2 H 1 3.98 0.03 . . . . . . 9 SER HB2 . 16294 1 35 . 1 1 9 9 SER HB3 H 1 4.04 0.03 . . . . . . 9 SER HB3 . 16294 1 36 . 1 1 10 10 LEU H H 1 7.68 0.03 . 1 . . . . 10 LEU H . 16294 1 37 . 1 1 10 10 LEU HA H 1 4.47 0.03 . 1 . . . . 10 LEU HA . 16294 1 38 . 1 1 11 11 ALA H H 1 7.49 0.03 . 1 . . . . 11 ALA H . 16294 1 39 . 1 1 11 11 ALA HA H 1 4.30 0.03 . 1 . . . . 11 ALA HA . 16294 1 40 . 1 1 11 11 ALA HB1 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 41 . 1 1 11 11 ALA HB2 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 42 . 1 1 11 11 ALA HB3 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 43 . 1 1 13 13 CYS H H 1 8.67 0.03 . 1 . . . . 13 CYS H . 16294 1 44 . 1 1 13 13 CYS HA H 1 4.69 0.03 . 1 . . . . 13 CYS HA . 16294 1 45 . 1 1 13 13 CYS HB2 H 1 3.33 0.03 . . . . . . 13 CYS HB2 . 16294 1 46 . 1 1 13 13 CYS HB3 H 1 3.24 0.03 . . . . . . 13 CYS HB3 . 16294 1 47 . 1 1 14 14 ILE H H 1 7.89 0.03 . 1 . . . . 14 ILE H . 16294 1 48 . 1 1 14 14 ILE HA H 1 3.90 0.03 . 1 . . . . 14 ILE HA . 16294 1 49 . 1 1 14 14 ILE HB H 1 2.36 0.03 . 1 . . . . 14 ILE HB . 16294 1 50 . 1 1 16 16 TYR H H 1 7.98 0.03 . 1 . . . . 16 TYR H . 16294 1 51 . 1 1 16 16 TYR HA H 1 4.40 0.03 . 1 . . . . 16 TYR HA . 16294 1 52 . 1 1 16 16 TYR HB2 H 1 3.32 0.03 . . . . . . 16 TYR HB2 . 16294 1 53 . 1 1 16 16 TYR HB3 H 1 3.03 0.03 . . . . . . 16 TYR HB3 . 16294 1 54 . 1 1 17 17 VAL H H 1 8.47 0.03 . 1 . . . . 17 VAL H . 16294 1 55 . 1 1 17 17 VAL HA H 1 3.49 0.03 . 1 . . . . 17 VAL HA . 16294 1 56 . 1 1 17 17 VAL HB H 1 2.31 0.03 . 1 . . . . 17 VAL HB . 16294 1 57 . 1 1 17 17 VAL HG11 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 58 . 1 1 17 17 VAL HG12 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 59 . 1 1 17 17 VAL HG13 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 60 . 1 1 17 17 VAL HG21 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 61 . 1 1 17 17 VAL HG22 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 62 . 1 1 17 17 VAL HG23 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 63 . 1 1 18 18 ARG H H 1 7.93 0.03 . 1 . . . . 18 ARG H . 16294 1 64 . 1 1 18 18 ARG HA H 1 4.54 0.03 . 1 . . . . 18 ARG HA . 16294 1 65 . 1 1 18 18 ARG HB2 H 1 1.86 0.03 . . . . . . 18 ARG HB2 . 16294 1 66 . 1 1 18 18 ARG HB3 H 1 1.72 0.03 . . . . . . 18 ARG HB3 . 16294 1 67 . 1 1 19 19 GLY H H 1 7.93 0.03 . 1 . . . . 19 GLY H . 16294 1 68 . 1 1 19 19 GLY HA2 H 1 4.39 0.03 . . . . . . 19 GLY HA2 . 16294 1 69 . 1 1 19 19 GLY HA3 H 1 3.75 0.03 . . . . . . 19 GLY HA3 . 16294 1 70 . 1 1 20 20 GLY H H 1 8.77 0.03 . 1 . . . . 20 GLY H . 16294 1 71 . 1 1 20 20 GLY HA2 H 1 3.21 0.03 . . . . . . 20 GLY HA2 . 16294 1 72 . 1 1 20 20 GLY HA3 H 1 3.98 0.03 . . . . . . 20 GLY HA3 . 16294 1 73 . 1 1 21 21 GLY H H 1 8.38 0.03 . 1 . . . . 21 GLY H . 16294 1 74 . 1 1 21 21 GLY HA2 H 1 3.78 0.03 . . . . . . 21 GLY HA2 . 16294 1 75 . 1 1 21 21 GLY HA3 H 1 4.31 0.03 . . . . . . 21 GLY HA3 . 16294 1 76 . 1 1 22 22 ALA H H 1 8.32 0.03 . 1 . . . . 22 ALA H . 16294 1 77 . 1 1 22 22 ALA HA H 1 4.36 0.03 . 1 . . . . 22 ALA HA . 16294 1 78 . 1 1 22 22 ALA HB1 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 79 . 1 1 22 22 ALA HB2 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 80 . 1 1 22 22 ALA HB3 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 81 . 1 1 23 23 VAL H H 1 8.38 0.03 . 1 . . . . 23 VAL H . 16294 1 82 . 1 1 23 23 VAL HA H 1 3.85 0.03 . 1 . . . . 23 VAL HA . 16294 1 83 . 1 1 23 23 VAL HB H 1 1.62 0.03 . 1 . . . . 23 VAL HB . 16294 1 84 . 1 1 23 23 VAL HG11 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 85 . 1 1 23 23 VAL HG12 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 86 . 1 1 23 23 VAL HG13 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 87 . 1 1 23 23 VAL HG21 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 88 . 1 1 23 23 VAL HG22 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 89 . 1 1 23 23 VAL HG23 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 90 . 1 1 26 26 ALA H H 1 8.75 0.03 . 1 . . . . 26 ALA H . 16294 1 91 . 1 1 26 26 ALA HA H 1 4.24 0.03 . 1 . . . . 26 ALA HA . 16294 1 92 . 1 1 26 26 ALA HB1 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 93 . 1 1 26 26 ALA HB2 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 94 . 1 1 26 26 ALA HB3 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 95 . 1 1 27 27 CYS H H 1 7.91 0.03 . 1 . . . . 27 CYS H . 16294 1 96 . 1 1 27 27 CYS HA H 1 4.48 0.03 . 1 . . . . 27 CYS HA . 16294 1 97 . 1 1 27 27 CYS HB2 H 1 3.31 0.03 . . . . . . 27 CYS HB2 . 16294 1 98 . 1 1 27 27 CYS HB3 H 1 2.69 0.03 . . . . . . 27 CYS HB3 . 16294 1 99 . 1 1 28 28 CYS H H 1 7.09 0.03 . 1 . . . . 28 CYS H . 16294 1 100 . 1 1 28 28 CYS HA H 1 4.68 0.03 . 1 . . . . 28 CYS HA . 16294 1 101 . 1 1 28 28 CYS HB2 H 1 2.87 0.03 . . . . . . 28 CYS HB2 . 16294 1 102 . 1 1 28 28 CYS HB3 H 1 3.11 0.03 . . . . . . 28 CYS HB3 . 16294 1 103 . 1 1 29 29 ASN H H 1 8.71 0.03 . 1 . . . . 29 ASN H . 16294 1 104 . 1 1 29 29 ASN HA H 1 4.43 0.03 . 1 . . . . 29 ASN HA . 16294 1 105 . 1 1 29 29 ASN HB2 H 1 2.87 0.03 . . . . . . 29 ASN HB2 . 16294 1 106 . 1 1 29 29 ASN HB3 H 1 2.81 0.03 . . . . . . 29 ASN HB3 . 16294 1 107 . 1 1 30 30 GLY H H 1 7.83 0.03 . 1 . . . . 30 GLY H . 16294 1 108 . 1 1 30 30 GLY HA2 H 1 4.24 0.03 . . . . . . 30 GLY HA2 . 16294 1 109 . 1 1 30 30 GLY HA3 H 1 3.99 0.03 . . . . . . 30 GLY HA3 . 16294 1 110 . 1 1 31 31 ILE H H 1 8.16 0.03 . 1 . . . . 31 ILE H . 16294 1 111 . 1 1 31 31 ILE HA H 1 3.84 0.03 . 1 . . . . 31 ILE HA . 16294 1 112 . 1 1 31 31 ILE HB H 1 1.94 0.03 . 1 . . . . 31 ILE HB . 16294 1 113 . 1 1 32 32 ARG H H 1 8.14 0.03 . 1 . . . . 32 ARG H . 16294 1 114 . 1 1 32 32 ARG HA H 1 3.91 0.03 . 1 . . . . 32 ARG HA . 16294 1 115 . 1 1 33 33 ASN H H 1 8.19 0.03 . 1 . . . . 33 ASN H . 16294 1 116 . 1 1 33 33 ASN HA H 1 4.48 0.03 . 1 . . . . 33 ASN HA . 16294 1 117 . 1 1 33 33 ASN HB2 H 1 2.98 0.03 . . . . . . 33 ASN HB2 . 16294 1 118 . 1 1 33 33 ASN HB3 H 1 3.05 0.03 . . . . . . 33 ASN HB3 . 16294 1 119 . 1 1 34 34 VAL H H 1 8.03 0.03 . 1 . . . . 34 VAL H . 16294 1 120 . 1 1 34 34 VAL HA H 1 3.51 0.03 . 1 . . . . 34 VAL HA . 16294 1 121 . 1 1 34 34 VAL HB H 1 2.24 0.03 . 1 . . . . 34 VAL HB . 16294 1 122 . 1 1 34 34 VAL HG11 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 123 . 1 1 34 34 VAL HG12 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 124 . 1 1 34 34 VAL HG13 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 125 . 1 1 34 34 VAL HG21 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 126 . 1 1 34 34 VAL HG22 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 127 . 1 1 34 34 VAL HG23 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 128 . 1 1 35 35 ASN H H 1 7.83 0.03 . 1 . . . . 35 ASN H . 16294 1 129 . 1 1 35 35 ASN HA H 1 4.48 0.03 . 1 . . . . 35 ASN HA . 16294 1 130 . 1 1 36 36 ASN H H 1 8.28 0.03 . 1 . . . . 36 ASN H . 16294 1 131 . 1 1 36 36 ASN HA H 1 4.43 0.03 . 1 . . . . 36 ASN HA . 16294 1 132 . 1 1 36 36 ASN HB2 H 1 2.89 0.03 . . . . . . 36 ASN HB2 . 16294 1 133 . 1 1 36 36 ASN HB3 H 1 2.95 0.03 . . . . . . 36 ASN HB3 . 16294 1 134 . 1 1 37 37 LEU H H 1 7.89 0.03 . 1 . . . . 37 LEU H . 16294 1 135 . 1 1 37 37 LEU HA H 1 4.25 0.03 . 1 . . . . 37 LEU HA . 16294 1 136 . 1 1 37 37 LEU HB2 H 1 1.87 0.03 . . . . . . 37 LEU HB2 . 16294 1 137 . 1 1 37 37 LEU HB3 H 1 1.51 0.03 . . . . . . 37 LEU HB3 . 16294 1 138 . 1 1 38 38 ALA H H 1 7.39 0.03 . 1 . . . . 38 ALA H . 16294 1 139 . 1 1 38 38 ALA HA H 1 4.33 0.03 . 1 . . . . 38 ALA HA . 16294 1 140 . 1 1 38 38 ALA HB1 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 141 . 1 1 38 38 ALA HB2 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 142 . 1 1 38 38 ALA HB3 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 143 . 1 1 39 39 ARG H H 1 8.74 0.03 . 1 . . . . 39 ARG H . 16294 1 144 . 1 1 39 39 ARG HA H 1 4.49 0.03 . 1 . . . . 39 ARG HA . 16294 1 145 . 1 1 40 40 THR H H 1 7.81 0.03 . 1 . . . . 40 THR H . 16294 1 146 . 1 1 40 40 THR HA H 1 4.83 0.03 . 1 . . . . 40 THR HA . 16294 1 147 . 1 1 40 40 THR HB H 1 4.54 0.03 . 1 . . . . 40 THR HB . 16294 1 148 . 1 1 41 41 THR H H 1 9.17 0.03 . 1 . . . . 41 THR H . 16294 1 149 . 1 1 41 41 THR HA H 1 4.13 0.03 . 1 . . . . 41 THR HA . 16294 1 150 . 1 1 41 41 THR HB H 1 4.30 0.03 . 1 . . . . 41 THR HB . 16294 1 151 . 1 1 43 43 ASP H H 1 7.29 0.03 . 1 . . . . 43 ASP H . 16294 1 152 . 1 1 43 43 ASP HA H 1 4.63 0.03 . 1 . . . . 43 ASP HA . 16294 1 153 . 1 1 43 43 ASP HB2 H 1 2.83 0.03 . . . . . . 43 ASP HB2 . 16294 1 154 . 1 1 43 43 ASP HB3 H 1 2.64 0.03 . . . . . . 43 ASP HB3 . 16294 1 155 . 1 1 44 44 ARG H H 1 8.56 0.03 . 1 . . . . 44 ARG H . 16294 1 156 . 1 1 44 44 ARG HA H 1 4.00 0.03 . 1 . . . . 44 ARG HA . 16294 1 157 . 1 1 44 44 ARG HB2 H 1 2.06 0.03 . . . . . . 44 ARG HB2 . 16294 1 158 . 1 1 45 45 GLN H H 1 8.41 0.03 . 1 . . . . 45 GLN H . 16294 1 159 . 1 1 45 45 GLN HA H 1 3.68 0.03 . 1 . . . . 45 GLN HA . 16294 1 160 . 1 1 45 45 GLN HB2 H 1 2.05 0.03 . . . . . . 45 GLN HB2 . 16294 1 161 . 1 1 45 45 GLN HB3 H 1 2.63 0.03 . . . . . . 45 GLN HB3 . 16294 1 162 . 1 1 46 46 ALA H H 1 8.07 0.03 . 1 . . . . 46 ALA H . 16294 1 163 . 1 1 46 46 ALA HA H 1 4.26 0.03 . 1 . . . . 46 ALA HA . 16294 1 164 . 1 1 46 46 ALA HB1 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 165 . 1 1 46 46 ALA HB2 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 166 . 1 1 46 46 ALA HB3 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 167 . 1 1 47 47 ALA H H 1 8.63 0.03 . 1 . . . . 47 ALA H . 16294 1 168 . 1 1 47 47 ALA HA H 1 3.65 0.03 . 1 . . . . 47 ALA HA . 16294 1 169 . 1 1 47 47 ALA HB1 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 170 . 1 1 47 47 ALA HB2 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 171 . 1 1 47 47 ALA HB3 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 172 . 1 1 48 48 CYS H H 1 7.99 0.03 . 1 . . . . 48 CYS H . 16294 1 173 . 1 1 48 48 CYS HA H 1 3.67 0.03 . 1 . . . . 48 CYS HA . 16294 1 174 . 1 1 48 48 CYS HB2 H 1 3.23 0.03 . . . . . . 48 CYS HB2 . 16294 1 175 . 1 1 48 48 CYS HB3 H 1 3.05 0.03 . . . . . . 48 CYS HB3 . 16294 1 176 . 1 1 49 49 ASN H H 1 8.29 0.03 . 1 . . . . 49 ASN H . 16294 1 177 . 1 1 49 49 ASN HA H 1 4.43 0.03 . 1 . . . . 49 ASN HA . 16294 1 178 . 1 1 49 49 ASN HB2 H 1 2.83 0.03 . . . . . . 49 ASN HB2 . 16294 1 179 . 1 1 49 49 ASN HB3 H 1 2.74 0.03 . . . . . . 49 ASN HB3 . 16294 1 180 . 1 1 50 50 CYS H H 1 8.58 0.03 . 1 . . . . 50 CYS H . 16294 1 181 . 1 1 50 50 CYS HA H 1 4.49 0.03 . 1 . . . . 50 CYS HA . 16294 1 182 . 1 1 50 50 CYS HB2 H 1 3.00 0.03 . . . . . . 50 CYS HB2 . 16294 1 183 . 1 1 51 51 LEU H H 1 8.61 0.03 . 1 . . . . 51 LEU H . 16294 1 184 . 1 1 51 51 LEU HA H 1 4.02 0.03 . 1 . . . . 51 LEU HA . 16294 1 185 . 1 1 51 51 LEU HB2 H 1 2.15 0.03 . . . . . . 51 LEU HB2 . 16294 1 186 . 1 1 51 51 LEU HB3 H 1 1.51 0.03 . . . . . . 51 LEU HB3 . 16294 1 187 . 1 1 52 52 LYS H H 1 8.55 0.03 . 1 . . . . 52 LYS H . 16294 1 188 . 1 1 52 52 LYS HA H 1 4.04 0.03 . 1 . . . . 52 LYS HA . 16294 1 189 . 1 1 53 53 GLN H H 1 7.76 0.03 . 1 . . . . 53 GLN H . 16294 1 190 . 1 1 53 53 GLN HA H 1 4.18 0.03 . 1 . . . . 53 GLN HA . 16294 1 191 . 1 1 53 53 GLN HB2 H 1 2.47 0.03 . 4 . . . . 53 GLN HB2 . 16294 1 192 . 1 1 53 53 GLN HB3 H 1 2.24 0.03 . 4 . . . . 53 GLN HB3 . 16294 1 193 . 1 1 53 53 GLN HG2 H 1 2.56 0.03 . 4 . . . . 53 GLN HG2 . 16294 1 194 . 1 1 56 56 ALA H H 1 7.57 0.03 . 1 . . . . 56 ALA H . 16294 1 195 . 1 1 56 56 ALA HA H 1 4.37 0.03 . 1 . . . . 56 ALA HA . 16294 1 196 . 1 1 56 56 ALA HB1 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 197 . 1 1 56 56 ALA HB2 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 198 . 1 1 56 56 ALA HB3 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 199 . 1 1 57 57 SER H H 1 7.88 0.03 . 1 . . . . 57 SER H . 16294 1 200 . 1 1 57 57 SER HA H 1 4.53 0.03 . 1 . . . . 57 SER HA . 16294 1 201 . 1 1 57 57 SER HB2 H 1 4.00 0.03 . . . . . . 57 SER HB2 . 16294 1 202 . 1 1 57 57 SER HB3 H 1 3.95 0.03 . . . . . . 57 SER HB3 . 16294 1 203 . 1 1 58 58 VAL H H 1 7.58 0.03 . 1 . . . . 58 VAL H . 16294 1 204 . 1 1 58 58 VAL HA H 1 4.38 0.03 . 1 . . . . 58 VAL HA . 16294 1 205 . 1 1 58 58 VAL HB H 1 2.02 0.03 . 1 . . . . 58 VAL HB . 16294 1 206 . 1 1 58 58 VAL HG11 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 207 . 1 1 58 58 VAL HG12 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 208 . 1 1 58 58 VAL HG13 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 209 . 1 1 58 58 VAL HG21 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 210 . 1 1 58 58 VAL HG22 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 211 . 1 1 58 58 VAL HG23 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 212 . 1 1 60 60 GLY H H 1 8.72 0.03 . 1 . . . . 60 GLY H . 16294 1 213 . 1 1 60 60 GLY HA2 H 1 4.01 0.03 . . . . . . 60 GLY HA2 . 16294 1 214 . 1 1 60 60 GLY HA3 H 1 3.79 0.03 . . . . . . 60 GLY HA3 . 16294 1 215 . 1 1 61 61 VAL H H 1 7.36 0.03 . 1 . . . . 61 VAL H . 16294 1 216 . 1 1 61 61 VAL HA H 1 3.43 0.03 . 1 . . . . 61 VAL HA . 16294 1 217 . 1 1 61 61 VAL HB H 1 2.16 0.03 . 1 . . . . 61 VAL HB . 16294 1 218 . 1 1 61 61 VAL HG11 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 219 . 1 1 61 61 VAL HG12 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 220 . 1 1 61 61 VAL HG13 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 221 . 1 1 61 61 VAL HG21 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 222 . 1 1 61 61 VAL HG22 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 223 . 1 1 61 61 VAL HG23 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 224 . 1 1 62 62 ASN H H 1 8.14 0.03 . 1 . . . . 62 ASN H . 16294 1 225 . 1 1 62 62 ASN HA H 1 5.20 0.03 . 1 . . . . 62 ASN HA . 16294 1 226 . 1 1 62 62 ASN HB2 H 1 3.20 0.03 . . . . . . 62 ASN HB2 . 16294 1 227 . 1 1 62 62 ASN HB3 H 1 2.87 0.03 . . . . . . 62 ASN HB3 . 16294 1 228 . 1 1 64 64 ASN H H 1 8.21 0.03 . 1 . . . . 64 ASN H . 16294 1 229 . 1 1 64 64 ASN HA H 1 4.55 0.03 . 1 . . . . 64 ASN HA . 16294 1 230 . 1 1 64 64 ASN HB2 H 1 2.83 0.03 . . . . . . 64 ASN HB2 . 16294 1 231 . 1 1 64 64 ASN HB3 H 1 2.11 0.03 . . . . . . 64 ASN HB3 . 16294 1 232 . 1 1 65 65 ASN H H 1 7.69 0.03 . 1 . . . . 65 ASN H . 16294 1 233 . 1 1 65 65 ASN HA H 1 4.56 0.03 . 1 . . . . 65 ASN HA . 16294 1 234 . 1 1 65 65 ASN HB2 H 1 3.06 0.03 . . . . . . 65 ASN HB2 . 16294 1 235 . 1 1 65 65 ASN HB3 H 1 2.42 0.03 . . . . . . 65 ASN HB3 . 16294 1 236 . 1 1 66 66 ALA H H 1 8.06 0.03 . 1 . . . . 66 ALA H . 16294 1 237 . 1 1 66 66 ALA HA H 1 4.02 0.03 . 1 . . . . 66 ALA HA . 16294 1 238 . 1 1 66 66 ALA HB1 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 239 . 1 1 66 66 ALA HB2 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 240 . 1 1 66 66 ALA HB3 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 241 . 1 1 67 67 ALA H H 1 7.64 0.03 . 1 . . . . 67 ALA H . 16294 1 242 . 1 1 67 67 ALA HA H 1 4.31 0.03 . 1 . . . . 67 ALA HA . 16294 1 243 . 1 1 67 67 ALA HB1 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 244 . 1 1 67 67 ALA HB2 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 245 . 1 1 67 67 ALA HB3 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 246 . 1 1 68 68 ALA H H 1 7.48 0.03 . 1 . . . . 68 ALA H . 16294 1 247 . 1 1 68 68 ALA HA H 1 4.40 0.03 . 1 . . . . 68 ALA HA . 16294 1 248 . 1 1 68 68 ALA HB1 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 249 . 1 1 68 68 ALA HB2 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 250 . 1 1 68 68 ALA HB3 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 251 . 1 1 69 69 LEU H H 1 7.37 0.03 . 1 . . . . 69 LEU H . 16294 1 252 . 1 1 69 69 LEU HA H 1 4.04 0.03 . 1 . . . . 69 LEU HA . 16294 1 253 . 1 1 71 71 GLY H H 1 8.30 0.03 . 1 . . . . 71 GLY H . 16294 1 254 . 1 1 71 71 GLY HA2 H 1 3.91 0.03 . . . . . . 71 GLY HA2 . 16294 1 255 . 1 1 71 71 GLY HA3 H 1 3.91 0.03 . . . . . . 71 GLY HA3 . 16294 1 256 . 1 1 72 72 LYS H H 1 8.17 0.03 . 1 . . . . 72 LYS H . 16294 1 257 . 1 1 72 72 LYS HA H 1 4.17 0.03 . 1 . . . . 72 LYS HA . 16294 1 258 . 1 1 72 72 LYS HB2 H 1 1.98 0.03 . . . . . . 72 LYS HB2 . 16294 1 259 . 1 1 72 72 LYS HB3 H 1 1.74 0.03 . . . . . . 72 LYS HB3 . 16294 1 260 . 1 1 73 73 CYS H H 1 7.79 0.03 . 1 . . . . 73 CYS H . 16294 1 261 . 1 1 73 73 CYS HA H 1 4.79 0.03 . 1 . . . . 73 CYS HA . 16294 1 262 . 1 1 73 73 CYS HB2 H 1 2.65 0.03 . . . . . . 73 CYS HB2 . 16294 1 263 . 1 1 73 73 CYS HB3 H 1 3.00 0.03 . . . . . . 73 CYS HB3 . 16294 1 264 . 1 1 74 74 GLY H H 1 7.93 0.03 . 1 . . . . 74 GLY H . 16294 1 265 . 1 1 74 74 GLY HA2 H 1 3.90 0.03 . . . . . . 74 GLY HA2 . 16294 1 266 . 1 1 74 74 GLY HA3 H 1 4.00 0.03 . . . . . . 74 GLY HA3 . 16294 1 267 . 1 1 75 75 VAL H H 1 8.06 0.03 . 1 . . . . 75 VAL H . 16294 1 268 . 1 1 75 75 VAL HA H 1 4.24 0.03 . 1 . . . . 75 VAL HA . 16294 1 269 . 1 1 75 75 VAL HB H 1 1.71 0.03 . 1 . . . . 75 VAL HB . 16294 1 270 . 1 1 75 75 VAL HG11 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 271 . 1 1 75 75 VAL HG12 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 272 . 1 1 75 75 VAL HG13 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 273 . 1 1 75 75 VAL HG21 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 274 . 1 1 75 75 VAL HG22 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 275 . 1 1 75 75 VAL HG23 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 276 . 1 1 76 76 SER H H 1 8.41 0.03 . 1 . . . . 76 SER H . 16294 1 277 . 1 1 76 76 SER HA H 1 4.48 0.03 . 1 . . . . 76 SER HA . 16294 1 278 . 1 1 76 76 SER HB2 H 1 3.69 0.03 . . . . . . 76 SER HB2 . 16294 1 279 . 1 1 77 77 ILE H H 1 7.83 0.03 . 5 . . . . 77 ILE H . 16294 1 280 . 1 1 77 77 ILE HA H 1 4.48 0.03 . 5 . . . . 77 ILE HA . 16294 1 281 . 1 1 79 79 TYR H H 1 6.62 0.03 . 1 . . . . 79 TYR H . 16294 1 282 . 1 1 79 79 TYR HA H 1 4.75 0.03 . 1 . . . . 79 TYR HA . 16294 1 283 . 1 1 79 79 TYR HB2 H 1 3.07 0.03 . . . . . . 79 TYR HB2 . 16294 1 284 . 1 1 79 79 TYR HB3 H 1 2.90 0.03 . . . . . . 79 TYR HB3 . 16294 1 285 . 1 1 80 80 LYS H H 1 8.29 0.03 . 1 . . . . 80 LYS H . 16294 1 286 . 1 1 80 80 LYS HA H 1 4.39 0.03 . 1 . . . . 80 LYS HA . 16294 1 287 . 1 1 80 80 LYS HB2 H 1 1.68 0.03 . . . . . . 80 LYS HB2 . 16294 1 288 . 1 1 80 80 LYS HB3 H 1 1.72 0.03 . . . . . . 80 LYS HB3 . 16294 1 289 . 1 1 83 83 ALA H H 1 8.88 0.03 . 1 . . . . 83 ALA H . 16294 1 290 . 1 1 83 83 ALA HA H 1 4.37 0.03 . 1 . . . . 83 ALA HA . 16294 1 291 . 1 1 83 83 ALA HB1 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 292 . 1 1 83 83 ALA HB2 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 293 . 1 1 83 83 ALA HB3 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 294 . 1 1 84 84 SER H H 1 8.13 0.03 . 5 . . . . 84 SER H . 16294 1 295 . 1 1 84 84 SER HA H 1 4.55 0.03 . 5 . . . . 84 SER HA . 16294 1 296 . 1 1 84 84 SER HB2 H 1 3.96 0.03 . 5 . . . . 84 SER HB2 . 16294 1 297 . 1 1 85 85 THR H H 1 7.28 0.03 . 1 . . . . 85 THR H . 16294 1 298 . 1 1 85 85 THR HA H 1 3.87 0.03 . 1 . . . . 85 THR HA . 16294 1 299 . 1 1 85 85 THR HB H 1 4.08 0.03 . 1 . . . . 85 THR HB . 16294 1 300 . 1 1 85 85 THR HG21 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 301 . 1 1 85 85 THR HG22 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 302 . 1 1 85 85 THR HG23 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 303 . 1 1 86 86 ASN H H 1 8.81 0.03 . 1 . . . . 86 ASN H . 16294 1 304 . 1 1 86 86 ASN HA H 1 4.88 0.03 . 1 . . . . 86 ASN HA . 16294 1 305 . 1 1 86 86 ASN HB2 H 1 3.14 0.03 . . . . . . 86 ASN HB2 . 16294 1 306 . 1 1 86 86 ASN HB3 H 1 2.82 0.03 . . . . . . 86 ASN HB3 . 16294 1 307 . 1 1 87 87 CYS H H 1 8.70 0.03 . 1 . . . . 87 CYS H . 16294 1 308 . 1 1 87 87 CYS HA H 1 4.88 0.03 . 1 . . . . 87 CYS HA . 16294 1 309 . 1 1 87 87 CYS HB2 H 1 2.83 0.03 . . . . . . 87 CYS HB2 . 16294 1 310 . 1 1 88 88 ALA H H 1 7.97 0.03 . 1 . . . . 88 ALA H . 16294 1 311 . 1 1 88 88 ALA HA H 1 4.16 0.03 . 1 . . . . 88 ALA HA . 16294 1 312 . 1 1 88 88 ALA HB1 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 313 . 1 1 88 88 ALA HB2 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 314 . 1 1 88 88 ALA HB3 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 315 . 1 1 89 89 THR H H 1 7.26 0.03 . 1 . . . . 89 THR H . 16294 1 316 . 1 1 89 89 THR HA H 1 4.33 0.03 . 1 . . . . 89 THR HA . 16294 1 317 . 1 1 89 89 THR HG21 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 318 . 1 1 89 89 THR HG22 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 319 . 1 1 89 89 THR HG23 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 320 . 1 1 90 90 VAL H H 1 7.05 0.03 . 1 . . . . 90 VAL H . 16294 1 321 . 1 1 90 90 VAL HA H 1 3.89 0.03 . 1 . . . . 90 VAL HA . 16294 1 322 . 1 1 90 90 VAL HB H 1 2.15 0.03 . 1 . . . . 90 VAL HB . 16294 1 323 . 1 1 90 90 VAL HG11 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 324 . 1 1 90 90 VAL HG12 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 325 . 1 1 90 90 VAL HG13 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 326 . 1 1 90 90 VAL HG21 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 327 . 1 1 90 90 VAL HG22 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 328 . 1 1 90 90 VAL HG23 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 329 . 1 1 91 91 LYS H H 1 7.89 0.03 . 1 . . . . 91 LYS H . 16294 1 330 . 1 1 91 91 LYS HA H 1 4.39 0.03 . 1 . . . . 91 LYS HA . 16294 1 331 . 1 1 91 91 LYS HB2 H 1 1.87 0.03 . . . . . . 91 LYS HB2 . 16294 1 332 . 1 1 91 91 LYS HB3 H 1 1.72 0.03 . . . . . . 91 LYS HB3 . 16294 1 stop_ save_