data_6137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6137 _Entry.Title ; NMR solution structure of proBnIb of 2S albumin stortage proton from Brassica napus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-08 _Entry.Accession_date 2004-03-08 _Entry.Last_release_date 2004-03-08 _Entry.Original_release_date 2004-03-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 David Pantoja . . . . 6137 2 M. Bruix . . . . 6137 3 M. Rico . . . . 6137 4 J. Santoro . . . . 6137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 674 6137 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 . . 2005-01-24 . original BMRB . 6137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15609998 _Citation.Full_citation . _Citation.Title ; Solution structure and stability against digestion of rproBnIb from rapeseed: relationship to its allergenic properties ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 51 _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 16036 _Citation.Page_last 16045 _Citation.Year 2004 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Pantoja-Uceda . . . . 6137 1 2 O. Palomares . . . . 6137 1 3 M. Bruix . . . . 6137 1 4 M. Villalba . . . . 6137 1 5 R. Rodriguez . . . . 6137 1 6 M. Rico . . . . 6137 1 7 J. Santoro . . . . 6137 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1H Assigned Chemical Shifts for proBnIb' 6137 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6137 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12027892 _Citation.Full_citation ; Palomares O, Monsalve RI, Rodriguez R, Villalba M. Recombinant pronapin precursor produced in Pichia pastoris displays structural and immunologic equivalent properties to its mature product isolated from rapeseed. Eur J Biochem. 2002 May;269(10):2538-45. ; _Citation.Title ; Recombinant pronapin precursor produced in Pichia pastoris displays structural and immunologic equivalent properties to its mature product isolated from rapeseed. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European journal of biochemistry / FEBS' _Citation.Journal_volume 269 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-2956 _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 2538 _Citation.Page_last 2545 _Citation.Year 2002 _Citation.Details ; 2S albumin storage proteins from rapeseed (Brassica napus), called napins, consist of two different polypeptide chains linked by disulphide bridges, which are derived by proteolytic cleavage from a single precursor. The precursor form of the napin BnIb (proBnIb) has been cloned using a PCR strategy and sequenced. The amino-acid sequence deduced from the clone includes 31 residues of the small chain and 75 of the large chain, which are connected by the peptide Ser-Glu-Asn. Expression of the cDNA encoding proBnIb has been carried out in the methylotrophic yeast Pichia pastoris. The induced protein was secreted to the extracellular medium at a yield of 80 mg.L(-1) of culture and was purified by means of size-exclusion chromatography and reverse phase-HPLC. Recombinant proBnIb appeared properly folded as its molecular and spectroscopic properties were equivalent to those of the mature heterodimeric protein. As 2S albumin storage proteins from Brassicaceae have been shown to be type I allergy inducers, the immunological activity of the recombinant proBnIb was analysed as a measure of its structural integrity. The immunological properties of the recombinant precursor and the natural napin were indistinguishable by immunoblotting and ELISA inhibition using polyclonal antisera and sera of patients allergic to mustard and rapeseed. In conclusion, the recombinant expression of napin precursors in P. pastoris has been shown to be a successful method for high yield production of homogeneous and properly folded proteins whose polymorphism and complex maturation process limited hitherto their availability. ; 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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Oscar Palomares O. . . . 6137 2 2 'Rafael I' Monsalve R. I. . . 6137 2 3 Rosalia Rodriguez R. . . . 6137 2 4 Mayte Villalba M. . . . 6137 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_proBnIb _Assembly.Sf_category assembly _Assembly.Sf_framecode system_proBnIb _Assembly.Entry_ID 6137 _Assembly.ID 1 _Assembly.Name 'proBnIb monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6137 1 stop_ 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 'rproBnIb monomer' 1 $napin . . . native . . . . . 6137 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_asym_ID_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_asym_ID_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 5 5 SG . 1 . 1 CYS 59 59 SG . . . . . . . . . . . . 6137 1 2 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . . . 6137 1 3 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . . . 6137 1 4 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 104 104 SG . . . . . . . . . . . . 6137 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID proBnIb abbreviation 6137 1 'proBnIb monomer' system 6137 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'seed storage protein' 6137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_napin _Entity.Sf_category entity _Entity.Sf_framecode napin _Entity.Entry_ID 6137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Brassica napus' _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 ; QPQKCQREFQQEQHLRACQQ WIRQQLAGSPFSENQWGPQQ GPSLREQCCNELYQEDQVCV CPTLKQAAKSVRVQGQHGPF QSTRIYQIAKNLPNVCNMKQ IGTCPFIAI ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 1SM7 . 'Solution Structure Of The Recombinant Pronapin Precursor, Bnib.' . . . . . 100.00 109 100.00 100.00 2.82e-56 . . . . 6137 1 2 no GenBank AAN86249 . 'recombinant Ib pronapin precursor [Brassica napus]' . . . . . 100.00 109 100.00 100.00 2.82e-56 . . . . 6137 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Brassica napus' common 6137 1 napin abbreviation 6137 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 1 GLN . 6137 1 2 2 PRO . 6137 1 3 3 GLN . 6137 1 4 4 LYS . 6137 1 5 5 CYS . 6137 1 6 6 GLN . 6137 1 7 7 ARG . 6137 1 8 8 GLU . 6137 1 9 9 PHE . 6137 1 10 10 GLN . 6137 1 11 11 GLN . 6137 1 12 12 GLU . 6137 1 13 13 GLN . 6137 1 14 14 HIS . 6137 1 15 15 LEU . 6137 1 16 16 ARG . 6137 1 17 17 ALA . 6137 1 18 18 CYS . 6137 1 19 19 GLN . 6137 1 20 20 GLN . 6137 1 21 21 TRP . 6137 1 22 22 ILE . 6137 1 23 23 ARG . 6137 1 24 24 GLN . 6137 1 25 25 GLN . 6137 1 26 26 LEU . 6137 1 27 27 ALA . 6137 1 28 28 GLY . 6137 1 29 29 SER . 6137 1 30 30 PRO . 6137 1 31 31 PHE . 6137 1 32 32 SER . 6137 1 33 33 GLU . 6137 1 34 34 ASN . 6137 1 35 35 GLN . 6137 1 36 36 TRP . 6137 1 37 37 GLY . 6137 1 38 38 PRO . 6137 1 39 39 GLN . 6137 1 40 40 GLN . 6137 1 41 41 GLY . 6137 1 42 42 PRO . 6137 1 43 43 SER . 6137 1 44 44 LEU . 6137 1 45 45 ARG . 6137 1 46 46 GLU . 6137 1 47 47 GLN . 6137 1 48 48 CYS . 6137 1 49 49 CYS . 6137 1 50 50 ASN . 6137 1 51 51 GLU . 6137 1 52 52 LEU . 6137 1 53 53 TYR . 6137 1 54 54 GLN . 6137 1 55 55 GLU . 6137 1 56 56 ASP . 6137 1 57 57 GLN . 6137 1 58 58 VAL . 6137 1 59 59 CYS . 6137 1 60 60 VAL . 6137 1 61 61 CYS . 6137 1 62 62 PRO . 6137 1 63 63 THR . 6137 1 64 64 LEU . 6137 1 65 65 LYS . 6137 1 66 66 GLN . 6137 1 67 67 ALA . 6137 1 68 68 ALA . 6137 1 69 69 LYS . 6137 1 70 70 SER . 6137 1 71 71 VAL . 6137 1 72 72 ARG . 6137 1 73 73 VAL . 6137 1 74 74 GLN . 6137 1 75 75 GLY . 6137 1 76 76 GLN . 6137 1 77 77 HIS . 6137 1 78 78 GLY . 6137 1 79 79 PRO . 6137 1 80 80 PHE . 6137 1 81 81 GLN . 6137 1 82 82 SER . 6137 1 83 83 THR . 6137 1 84 84 ARG . 6137 1 85 85 ILE . 6137 1 86 86 TYR . 6137 1 87 87 GLN . 6137 1 88 88 ILE . 6137 1 89 89 ALA . 6137 1 90 90 LYS . 6137 1 91 91 ASN . 6137 1 92 92 LEU . 6137 1 93 93 PRO . 6137 1 94 94 ASN . 6137 1 95 95 VAL . 6137 1 96 96 CYS . 6137 1 97 97 ASN . 6137 1 98 98 MET . 6137 1 99 99 LYS . 6137 1 100 100 GLN . 6137 1 101 101 ILE . 6137 1 102 102 GLY . 6137 1 103 103 THR . 6137 1 104 104 CYS . 6137 1 105 105 PRO . 6137 1 106 106 PHE . 6137 1 107 107 ILE . 6137 1 108 108 ALA . 6137 1 109 109 ILE . 6137 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 . GLN 1 1 6137 1 . PRO 2 2 6137 1 . GLN 3 3 6137 1 . LYS 4 4 6137 1 . CYS 5 5 6137 1 . GLN 6 6 6137 1 . ARG 7 7 6137 1 . GLU 8 8 6137 1 . PHE 9 9 6137 1 . GLN 10 10 6137 1 . GLN 11 11 6137 1 . GLU 12 12 6137 1 . GLN 13 13 6137 1 . HIS 14 14 6137 1 . LEU 15 15 6137 1 . ARG 16 16 6137 1 . ALA 17 17 6137 1 . CYS 18 18 6137 1 . GLN 19 19 6137 1 . GLN 20 20 6137 1 . TRP 21 21 6137 1 . ILE 22 22 6137 1 . ARG 23 23 6137 1 . GLN 24 24 6137 1 . GLN 25 25 6137 1 . LEU 26 26 6137 1 . ALA 27 27 6137 1 . GLY 28 28 6137 1 . SER 29 29 6137 1 . PRO 30 30 6137 1 . PHE 31 31 6137 1 . SER 32 32 6137 1 . GLU 33 33 6137 1 . ASN 34 34 6137 1 . GLN 35 35 6137 1 . TRP 36 36 6137 1 . GLY 37 37 6137 1 . PRO 38 38 6137 1 . GLN 39 39 6137 1 . GLN 40 40 6137 1 . GLY 41 41 6137 1 . PRO 42 42 6137 1 . SER 43 43 6137 1 . LEU 44 44 6137 1 . ARG 45 45 6137 1 . GLU 46 46 6137 1 . GLN 47 47 6137 1 . CYS 48 48 6137 1 . CYS 49 49 6137 1 . ASN 50 50 6137 1 . GLU 51 51 6137 1 . LEU 52 52 6137 1 . TYR 53 53 6137 1 . GLN 54 54 6137 1 . GLU 55 55 6137 1 . ASP 56 56 6137 1 . GLN 57 57 6137 1 . VAL 58 58 6137 1 . CYS 59 59 6137 1 . VAL 60 60 6137 1 . CYS 61 61 6137 1 . PRO 62 62 6137 1 . THR 63 63 6137 1 . LEU 64 64 6137 1 . LYS 65 65 6137 1 . GLN 66 66 6137 1 . ALA 67 67 6137 1 . ALA 68 68 6137 1 . LYS 69 69 6137 1 . SER 70 70 6137 1 . VAL 71 71 6137 1 . ARG 72 72 6137 1 . VAL 73 73 6137 1 . GLN 74 74 6137 1 . GLY 75 75 6137 1 . GLN 76 76 6137 1 . HIS 77 77 6137 1 . GLY 78 78 6137 1 . PRO 79 79 6137 1 . PHE 80 80 6137 1 . GLN 81 81 6137 1 . SER 82 82 6137 1 . THR 83 83 6137 1 . ARG 84 84 6137 1 . ILE 85 85 6137 1 . TYR 86 86 6137 1 . GLN 87 87 6137 1 . ILE 88 88 6137 1 . ALA 89 89 6137 1 . LYS 90 90 6137 1 . ASN 91 91 6137 1 . LEU 92 92 6137 1 . PRO 93 93 6137 1 . ASN 94 94 6137 1 . VAL 95 95 6137 1 . CYS 96 96 6137 1 . ASN 97 97 6137 1 . MET 98 98 6137 1 . LYS 99 99 6137 1 . GLN 100 100 6137 1 . ILE 101 101 6137 1 . GLY 102 102 6137 1 . THR 103 103 6137 1 . CYS 104 104 6137 1 . PRO 105 105 6137 1 . PHE 106 106 6137 1 . ILE 107 107 6137 1 . ALA 108 108 6137 1 . ILE 109 109 6137 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 6137 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $napin . 3708 . . 'Brassica napus' Rape . . Eukaryota Viridiplantae Brassica napus . . . . . . . . . . . . . 6137 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 6137 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $napin . 'recombinant technology' . . . . . . . . . . . . . . . . 6137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Brassica napus' . . . 1 $napin . . . 1.2 . mM . . . . 6137 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6137 _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 3.0 0.1 pH 6137 1 temperature 308 1 K 6137 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6137 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID asignment 6137 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6137 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6137 _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 NMR_spectrometer BRUKER DMX . 600 . . . 6137 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 6137 _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 COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6137 1 2 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6137 1 3 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6137 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6137 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 COSY 1 $sample_1 . 6137 1 2 TOCSY 1 $sample_1 . 6137 1 3 NOESY 1 $sample_1 . 6137 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.744 0.01 . 1 . . . . . 1 . . . 6137 1 2 . 1 1 1 1 GLN HB3 H 1 2.029 0.01 . 2 . . . . . 1 . . . 6137 1 3 . 1 1 1 1 GLN HG2 H 1 2.583 0.01 . 2 . . . . . 1 . . . 6137 1 4 . 1 1 2 2 PRO HA H 1 4.481 0.01 . 1 . . . . . 2 . . . 6137 1 5 . 1 1 2 2 PRO HB2 H 1 2.442 0.01 . 2 . . . . . 2 . . . 6137 1 6 . 1 1 2 2 PRO HB3 H 1 2.013 0.01 . 2 . . . . . 2 . . . 6137 1 7 . 1 1 2 2 PRO HG2 H 1 2.099 0.01 . 2 . . . . . 2 . . . 6137 1 8 . 1 1 2 2 PRO HD2 H 1 3.857 0.01 . 2 . . . . . 2 . . . 6137 1 9 . 1 1 2 2 PRO HD3 H 1 3.569 0.01 . 2 . . . . . 2 . . . 6137 1 10 . 1 1 3 3 GLN H H 1 8.874 0.01 . 1 . . . . . 3 . . . 6137 1 11 . 1 1 3 3 GLN HA H 1 4.180 0.01 . 1 . . . . . 3 . . . 6137 1 12 . 1 1 3 3 GLN HB2 H 1 2.153 0.01 . 2 . . . . . 3 . . . 6137 1 13 . 1 1 3 3 GLN HB3 H 1 2.177 0.01 . 2 . . . . . 3 . . . 6137 1 14 . 1 1 3 3 GLN HG3 H 1 2.511 0.01 . 2 . . . . . 3 . . . 6137 1 15 . 1 1 4 4 LYS H H 1 8.442 0.01 . 1 . . . . . 4 . . . 6137 1 16 . 1 1 4 4 LYS HA H 1 4.185 0.01 . 1 . . . . . 4 . . . 6137 1 17 . 1 1 4 4 LYS HB2 H 1 2.041 0.01 . 2 . . . . . 4 . . . 6137 1 18 . 1 1 4 4 LYS HB3 H 1 1.887 0.01 . 2 . . . . . 4 . . . 6137 1 19 . 1 1 4 4 LYS HG2 H 1 1.382 0.01 . 2 . . . . . 4 . . . 6137 1 20 . 1 1 4 4 LYS HD2 H 1 1.702 0.01 . 2 . . . . . 4 . . . 6137 1 21 . 1 1 4 4 LYS HE2 H 1 2.970 0.01 . 2 . . . . . 4 . . . 6137 1 22 . 1 1 4 4 LYS HE3 H 1 2.902 0.01 . 2 . . . . . 4 . . . 6137 1 23 . 1 1 4 4 LYS HZ1 H 1 7.552 0.01 . 1 . . . . . 4 . . . 6137 1 24 . 1 1 4 4 LYS HZ2 H 1 7.552 0.01 . 1 . . . . . 4 . . . 6137 1 25 . 1 1 4 4 LYS HZ3 H 1 7.552 0.01 . 1 . . . . . 4 . . . 6137 1 26 . 1 1 5 5 CYS H H 1 8.148 0.01 . 1 . . . . . 5 . . . 6137 1 27 . 1 1 5 5 CYS HA H 1 4.615 0.01 . 1 . . . . . 5 . . . 6137 1 28 . 1 1 5 5 CYS HB2 H 1 2.939 0.01 . 2 . . . . . 5 . . . 6137 1 29 . 1 1 5 5 CYS HB3 H 1 2.905 0.01 . 2 . . . . . 5 . . . 6137 1 30 . 1 1 6 6 GLN H H 1 8.059 0.01 . 1 . . . . . 6 . . . 6137 1 31 . 1 1 6 6 GLN HA H 1 4.175 0.01 . 1 . . . . . 6 . . . 6137 1 32 . 1 1 6 6 GLN HB2 H 1 2.221 0.01 . 2 . . . . . 6 . . . 6137 1 33 . 1 1 6 6 GLN HG2 H 1 2.634 0.01 . 2 . . . . . 6 . . . 6137 1 34 . 1 1 6 6 GLN HG3 H 1 2.457 0.01 . 2 . . . . . 6 . . . 6137 1 35 . 1 1 7 7 ARG H H 1 7.723 0.01 . 1 . . . . . 7 . . . 6137 1 36 . 1 1 7 7 ARG HA H 1 4.223 0.01 . 1 . . . . . 7 . . . 6137 1 37 . 1 1 7 7 ARG HB2 H 1 2.075 0.01 . 2 . . . . . 7 . . . 6137 1 38 . 1 1 7 7 ARG HG3 H 1 1.711 0.01 . 2 . . . . . 7 . . . 6137 1 39 . 1 1 7 7 ARG HG2 H 1 1.822 0.01 . 2 . . . . . 7 . . . 6137 1 40 . 1 1 7 7 ARG HD2 H 1 3.303 0.01 . 2 . . . . . 7 . . . 6137 1 41 . 1 1 7 7 ARG HE H 1 7.327 0.01 . 1 . . . . . 7 . . . 6137 1 42 . 1 1 8 8 GLU H H 1 8.033 0.01 . 1 . . . . . 8 . . . 6137 1 43 . 1 1 8 8 GLU HA H 1 4.170 0.01 . 1 . . . . . 8 . . . 6137 1 44 . 1 1 8 8 GLU HB3 H 1 2.104 0.01 . 2 . . . . . 8 . . . 6137 1 45 . 1 1 8 8 GLU HB2 H 1 2.320 0.01 . 2 . . . . . 8 . . . 6137 1 46 . 1 1 8 8 GLU HG3 H 1 2.628 0.01 . 2 . . . . . 8 . . . 6137 1 47 . 1 1 8 8 GLU HG2 H 1 3.018 0.01 . 2 . . . . . 8 . . . 6137 1 48 . 1 1 9 9 PHE H H 1 8.317 0.01 . 1 . . . . . 9 . . . 6137 1 49 . 1 1 9 9 PHE HA H 1 4.190 0.01 . 1 . . . . . 9 . . . 6137 1 50 . 1 1 9 9 PHE HB2 H 1 3.301 0.01 . 2 . . . . . 9 . . . 6137 1 51 . 1 1 9 9 PHE HB3 H 1 3.278 0.01 . 2 . . . . . 9 . . . 6137 1 52 . 1 1 9 9 PHE HZ H 1 6.935 0.01 . 1 . . . . . 9 . . . 6137 1 53 . 1 1 9 9 PHE HE1 H 1 7.076 0.01 . 1 . . . . . 9 . . . 6137 1 54 . 1 1 9 9 PHE HD1 H 1 7.120 0.01 . 1 . . . . . 9 . . . 6137 1 55 . 1 1 10 10 GLN H H 1 7.768 0.01 . 1 . . . . . 10 . . . 6137 1 56 . 1 1 10 10 GLN HA H 1 3.693 0.01 . 1 . . . . . 10 . . . 6137 1 57 . 1 1 10 10 GLN HB2 H 1 2.354 0.01 . 2 . . . . . 10 . . . 6137 1 58 . 1 1 10 10 GLN HB3 H 1 2.308 0.01 . 2 . . . . . 10 . . . 6137 1 59 . 1 1 10 10 GLN HG2 H 1 2.626 0.01 . 2 . . . . . 10 . . . 6137 1 60 . 1 1 10 10 GLN HG3 H 1 2.551 0.01 . 2 . . . . . 10 . . . 6137 1 61 . 1 1 11 11 GLN H H 1 8.597 0.01 . 1 . . . . . 11 . . . 6137 1 62 . 1 1 11 11 GLN HA H 1 4.133 0.01 . 1 . . . . . 11 . . . 6137 1 63 . 1 1 11 11 GLN HB2 H 1 2.356 0.01 . 2 . . . . . 11 . . . 6137 1 64 . 1 1 11 11 GLN HB3 H 1 2.279 0.01 . 2 . . . . . 11 . . . 6137 1 65 . 1 1 11 11 GLN HG2 H 1 2.568 0.01 . 2 . . . . . 11 . . . 6137 1 66 . 1 1 11 11 GLN HG3 H 1 2.538 0.01 . 2 . . . . . 11 . . . 6137 1 67 . 1 1 12 12 GLU H H 1 7.918 0.01 . 1 . . . . . 12 . . . 6137 1 68 . 1 1 12 12 GLU HA H 1 4.637 0.01 . 1 . . . . . 12 . . . 6137 1 69 . 1 1 12 12 GLU HB3 H 1 1.791 0.01 . 2 . . . . . 12 . . . 6137 1 70 . 1 1 12 12 GLU HB2 H 1 2.492 0.01 . 2 . . . . . 12 . . . 6137 1 71 . 1 1 12 12 GLU HG3 H 1 2.586 0.01 . 2 . . . . . 12 . . . 6137 1 72 . 1 1 12 12 GLU HG2 H 1 2.729 0.01 . 2 . . . . . 12 . . . 6137 1 73 . 1 1 13 13 GLN H H 1 7.753 0.01 . 1 . . . . . 13 . . . 6137 1 74 . 1 1 13 13 GLN HA H 1 3.192 0.01 . 1 . . . . . 13 . . . 6137 1 75 . 1 1 13 13 GLN HB2 H 1 2.189 0.01 . 2 . . . . . 13 . . . 6137 1 76 . 1 1 13 13 GLN HG2 H 1 2.307 0.01 . 2 . . . . . 13 . . . 6137 1 77 . 1 1 14 14 HIS H H 1 8.389 0.01 . 1 . . . . . 14 . . . 6137 1 78 . 1 1 14 14 HIS HA H 1 3.830 0.01 . 1 . . . . . 14 . . . 6137 1 79 . 1 1 14 14 HIS HB2 H 1 3.217 0.01 . 2 . . . . . 14 . . . 6137 1 80 . 1 1 14 14 HIS HB3 H 1 2.840 0.01 . 2 . . . . . 14 . . . 6137 1 81 . 1 1 14 14 HIS HD2 H 1 6.725 0.01 . 2 . . . . . 14 . . . 6137 1 82 . 1 1 14 14 HIS HE1 H 1 8.658 0.01 . 2 . . . . . 14 . . . 6137 1 83 . 1 1 15 15 LEU H H 1 7.727 0.01 . 1 . . . . . 15 . . . 6137 1 84 . 1 1 15 15 LEU HA H 1 3.959 0.01 . 1 . . . . . 15 . . . 6137 1 85 . 1 1 15 15 LEU HB2 H 1 2.188 0.01 . 2 . . . . . 15 . . . 6137 1 86 . 1 1 15 15 LEU HB3 H 1 1.403 0.01 . 2 . . . . . 15 . . . 6137 1 87 . 1 1 15 15 LEU HG H 1 1.667 0.01 . 1 . . . . . 15 . . . 6137 1 88 . 1 1 15 15 LEU HD11 H 1 1.023 0.01 . 2 . . . . . 15 . . . 6137 1 89 . 1 1 15 15 LEU HD12 H 1 1.023 0.01 . 2 . . . . . 15 . . . 6137 1 90 . 1 1 15 15 LEU HD13 H 1 1.023 0.01 . 2 . . . . . 15 . . . 6137 1 91 . 1 1 15 15 LEU HD21 H 1 0.908 0.01 . 2 . . . . . 15 . . . 6137 1 92 . 1 1 15 15 LEU HD22 H 1 0.908 0.01 . 2 . . . . . 15 . . . 6137 1 93 . 1 1 15 15 LEU HD23 H 1 0.908 0.01 . 2 . . . . . 15 . . . 6137 1 94 . 1 1 16 16 ARG H H 1 7.201 0.01 . 1 . . . . . 16 . . . 6137 1 95 . 1 1 16 16 ARG HA H 1 3.857 0.01 . 1 . . . . . 16 . . . 6137 1 96 . 1 1 16 16 ARG HB3 H 1 1.985 0.01 . 2 . . . . . 16 . . . 6137 1 97 . 1 1 16 16 ARG HB2 H 1 1.878 0.01 . 2 . . . . . 16 . . . 6137 1 98 . 1 1 16 16 ARG HG3 H 1 1.643 0.01 . 2 . . . . . 16 . . . 6137 1 99 . 1 1 16 16 ARG HG2 H 1 1.740 0.01 . 2 . . . . . 16 . . . 6137 1 100 . 1 1 16 16 ARG HD3 H 1 2.218 0.01 . 2 . . . . . 16 . . . 6137 1 101 . 1 1 16 16 ARG HD2 H 1 3.210 0.01 . 2 . . . . . 16 . . . 6137 1 102 . 1 1 16 16 ARG HE H 1 7.205 0.01 . 1 . . . . . 16 . . . 6137 1 103 . 1 1 16 16 ARG HH21 H 1 6.685 0.01 . 1 . . . . . 16 . . . 6137 1 104 . 1 1 17 17 ALA H H 1 8.266 0.01 . 1 . . . . . 17 . . . 6137 1 105 . 1 1 17 17 ALA HA H 1 4.343 0.01 . 1 . . . . . 17 . . . 6137 1 106 . 1 1 17 17 ALA HB1 H 1 1.300 0.01 . 1 . . . . . 17 . . . 6137 1 107 . 1 1 17 17 ALA HB2 H 1 1.300 0.01 . 1 . . . . . 17 . . . 6137 1 108 . 1 1 17 17 ALA HB3 H 1 1.300 0.01 . 1 . . . . . 17 . . . 6137 1 109 . 1 1 18 18 CYS H H 1 7.463 0.01 . 1 . . . . . 18 . . . 6137 1 110 . 1 1 18 18 CYS HA H 1 4.720 0.01 . 1 . . . . . 18 . . . 6137 1 111 . 1 1 18 18 CYS HB2 H 1 2.971 0.01 . 2 . . . . . 18 . . . 6137 1 112 . 1 1 18 18 CYS HB3 H 1 2.705 0.01 . 2 . . . . . 18 . . . 6137 1 113 . 1 1 19 19 GLN H H 1 8.785 0.01 . 1 . . . . . 19 . . . 6137 1 114 . 1 1 19 19 GLN HA H 1 3.813 0.01 . 1 . . . . . 19 . . . 6137 1 115 . 1 1 19 19 GLN HB2 H 1 2.172 0.01 . 2 . . . . . 19 . . . 6137 1 116 . 1 1 19 19 GLN HG2 H 1 2.633 0.01 . 2 . . . . . 19 . . . 6137 1 117 . 1 1 19 19 GLN HG3 H 1 2.372 0.01 . 2 . . . . . 19 . . . 6137 1 118 . 1 1 19 19 GLN HE21 H 1 7.969 0.01 . 2 . . . . . 19 . . . 6137 1 119 . 1 1 19 19 GLN HE22 H 1 7.074 0.01 . 2 . . . . . 19 . . . 6137 1 120 . 1 1 20 20 GLN H H 1 8.314 0.01 . 1 . . . . . 20 . . . 6137 1 121 . 1 1 20 20 GLN HA H 1 4.075 0.01 . 1 . . . . . 20 . . . 6137 1 122 . 1 1 20 20 GLN HB2 H 1 2.379 0.01 . 2 . . . . . 20 . . . 6137 1 123 . 1 1 20 20 GLN HB3 H 1 2.192 0.01 . 2 . . . . . 20 . . . 6137 1 124 . 1 1 20 20 GLN HG2 H 1 2.611 0.01 . 2 . . . . . 20 . . . 6137 1 125 . 1 1 20 20 GLN HG3 H 1 2.471 0.01 . 2 . . . . . 20 . . . 6137 1 126 . 1 1 21 21 TRP H H 1 8.779 0.01 . 1 . . . . . 21 . . . 6137 1 127 . 1 1 21 21 TRP HA H 1 4.278 0.01 . 1 . . . . . 21 . . . 6137 1 128 . 1 1 21 21 TRP HB2 H 1 3.617 0.01 . 2 . . . . . 21 . . . 6137 1 129 . 1 1 21 21 TRP HB3 H 1 3.251 0.01 . 2 . . . . . 21 . . . 6137 1 130 . 1 1 21 21 TRP HD1 H 1 7.123 0.01 . 1 . . . . . 21 . . . 6137 1 131 . 1 1 21 21 TRP HE1 H 1 10.377 0.01 . 2 . . . . . 21 . . . 6137 1 132 . 1 1 21 21 TRP HZ2 H 1 7.409 0.01 . 2 . . . . . 21 . . . 6137 1 133 . 1 1 21 21 TRP HZ3 H 1 6.960 0.01 . 2 . . . . . 21 . . . 6137 1 134 . 1 1 21 21 TRP HE3 H 1 7.460 0.01 . 2 . . . . . 21 . . . 6137 1 135 . 1 1 22 22 ILE H H 1 8.690 0.01 . 1 . . . . . 22 . . . 6137 1 136 . 1 1 22 22 ILE HA H 1 3.297 0.01 . 1 . . . . . 22 . . . 6137 1 137 . 1 1 22 22 ILE HB H 1 2.093 0.01 . 1 . . . . . 22 . . . 6137 1 138 . 1 1 22 22 ILE HG12 H 1 2.370 0.01 . 1 . . . . . 22 . . . 6137 1 139 . 1 1 22 22 ILE HG13 H 1 1.862 0.01 . 1 . . . . . 22 . . . 6137 1 140 . 1 1 22 22 ILE HD11 H 1 0.823 0.01 . 1 . . . . . 22 . . . 6137 1 141 . 1 1 22 22 ILE HD12 H 1 0.823 0.01 . 1 . . . . . 22 . . . 6137 1 142 . 1 1 22 22 ILE HD13 H 1 0.823 0.01 . 1 . . . . . 22 . . . 6137 1 143 . 1 1 22 22 ILE HG21 H 1 0.928 0.01 . 1 . . . . . 22 . . . 6137 1 144 . 1 1 22 22 ILE HG22 H 1 0.928 0.01 . 1 . . . . . 22 . . . 6137 1 145 . 1 1 22 22 ILE HG23 H 1 0.928 0.01 . 1 . . . . . 22 . . . 6137 1 146 . 1 1 23 23 ARG H H 1 7.997 0.01 . 1 . . . . . 23 . . . 6137 1 147 . 1 1 23 23 ARG HA H 1 3.740 0.01 . 1 . . . . . 23 . . . 6137 1 148 . 1 1 23 23 ARG HB3 H 1 1.880 0.01 . 2 . . . . . 23 . . . 6137 1 149 . 1 1 23 23 ARG HB2 H 1 1.959 0.01 . 2 . . . . . 23 . . . 6137 1 150 . 1 1 23 23 ARG HG2 H 1 1.584 0.01 . 2 . . . . . 23 . . . 6137 1 151 . 1 1 23 23 ARG HD2 H 1 3.288 0.01 . 2 . . . . . 23 . . . 6137 1 152 . 1 1 23 23 ARG HE H 1 7.418 0.01 . 1 . . . . . 23 . . . 6137 1 153 . 1 1 24 24 GLN H H 1 8.169 0.01 . 1 . . . . . 24 . . . 6137 1 154 . 1 1 24 24 GLN HA H 1 3.971 0.01 . 1 . . . . . 24 . . . 6137 1 155 . 1 1 24 24 GLN HB2 H 1 2.052 0.01 . 2 . . . . . 24 . . . 6137 1 156 . 1 1 24 24 GLN HB3 H 1 2.112 0.01 . 2 . . . . . 24 . . . 6137 1 157 . 1 1 24 24 GLN HG2 H 1 2.395 0.01 . 2 . . . . . 24 . . . 6137 1 158 . 1 1 25 25 GLN H H 1 7.843 0.01 . 1 . . . . . 25 . . . 6137 1 159 . 1 1 25 25 GLN HA H 1 3.859 0.01 . 1 . . . . . 25 . . . 6137 1 160 . 1 1 25 25 GLN HB2 H 1 1.496 0.01 . 2 . . . . . 25 . . . 6137 1 161 . 1 1 25 25 GLN HB3 H 1 1.287 0.01 . 2 . . . . . 25 . . . 6137 1 162 . 1 1 25 25 GLN HG2 H 1 1.882 0.01 . 2 . . . . . 25 . . . 6137 1 163 . 1 1 25 25 GLN HG3 H 1 1.776 0.01 . 2 . . . . . 25 . . . 6137 1 164 . 1 1 25 25 GLN HE21 H 1 5.668 0.01 . 2 . . . . . 25 . . . 6137 1 165 . 1 1 25 25 GLN HE22 H 1 5.969 0.01 . 2 . . . . . 25 . . . 6137 1 166 . 1 1 26 26 LEU H H 1 7.718 0.01 . 1 . . . . . 26 . . . 6137 1 167 . 1 1 26 26 LEU HA H 1 4.040 0.01 . 1 . . . . . 26 . . . 6137 1 168 . 1 1 26 26 LEU HB2 H 1 1.664 0.01 . 2 . . . . . 26 . . . 6137 1 169 . 1 1 26 26 LEU HB3 H 1 1.486 0.01 . 2 . . . . . 26 . . . 6137 1 170 . 1 1 26 26 LEU HG H 1 1.730 0.01 . 1 . . . . . 26 . . . 6137 1 171 . 1 1 26 26 LEU HD11 H 1 0.692 0.01 . 2 . . . . . 26 . . . 6137 1 172 . 1 1 26 26 LEU HD12 H 1 0.692 0.01 . 2 . . . . . 26 . . . 6137 1 173 . 1 1 26 26 LEU HD13 H 1 0.692 0.01 . 2 . . . . . 26 . . . 6137 1 174 . 1 1 26 26 LEU HD21 H 1 0.712 0.01 . 2 . . . . . 26 . . . 6137 1 175 . 1 1 26 26 LEU HD22 H 1 0.712 0.01 . 2 . . . . . 26 . . . 6137 1 176 . 1 1 26 26 LEU HD23 H 1 0.712 0.01 . 2 . . . . . 26 . . . 6137 1 177 . 1 1 27 27 ALA H H 1 7.611 0.01 . 1 . . . . . 27 . . . 6137 1 178 . 1 1 27 27 ALA HA H 1 4.328 0.01 . 1 . . . . . 27 . . . 6137 1 179 . 1 1 27 27 ALA HB1 H 1 1.486 0.01 . 1 . . . . . 27 . . . 6137 1 180 . 1 1 27 27 ALA HB2 H 1 1.486 0.01 . 1 . . . . . 27 . . . 6137 1 181 . 1 1 27 27 ALA HB3 H 1 1.486 0.01 . 1 . . . . . 27 . . . 6137 1 182 . 1 1 28 28 GLY H H 1 7.609 0.01 . 1 . . . . . 28 . . . 6137 1 183 . 1 1 28 28 GLY HA3 H 1 4.345 0.01 . 2 . . . . . 28 . . . 6137 1 184 . 1 1 28 28 GLY HA2 H 1 3.738 0.01 . 2 . . . . . 28 . . . 6137 1 185 . 1 1 29 29 SER H H 1 7.997 0.01 . 1 . . . . . 29 . . . 6137 1 186 . 1 1 29 29 SER HA H 1 4.773 0.01 . 1 . . . . . 29 . . . 6137 1 187 . 1 1 29 29 SER HB2 H 1 3.860 0.01 . 2 . . . . . 29 . . . 6137 1 188 . 1 1 29 29 SER HB3 H 1 3.906 0.01 . 2 . . . . . 29 . . . 6137 1 189 . 1 1 30 30 PRO HA H 1 4.400 0.01 . 1 . . . . . 30 . . . 6137 1 190 . 1 1 30 30 PRO HB2 H 1 2.182 0.01 . 2 . . . . . 30 . . . 6137 1 191 . 1 1 30 30 PRO HB3 H 1 1.925 0.01 . 2 . . . . . 30 . . . 6137 1 192 . 1 1 30 30 PRO HG2 H 1 1.689 0.01 . 2 . . . . . 30 . . . 6137 1 193 . 1 1 30 30 PRO HG3 H 1 1.811 0.01 . 2 . . . . . 30 . . . 6137 1 194 . 1 1 30 30 PRO HD2 H 1 3.801 0.01 . 2 . . . . . 30 . . . 6137 1 195 . 1 1 30 30 PRO HD3 H 1 3.663 0.01 . 2 . . . . . 30 . . . 6137 1 196 . 1 1 31 31 PHE H H 1 8.067 0.01 . 1 . . . . . 31 . . . 6137 1 197 . 1 1 31 31 PHE HA H 1 4.655 0.01 . 1 . . . . . 31 . . . 6137 1 198 . 1 1 31 31 PHE HB2 H 1 3.036 0.01 . 2 . . . . . 31 . . . 6137 1 199 . 1 1 31 31 PHE HB3 H 1 3.244 0.01 . 2 . . . . . 31 . . . 6137 1 200 . 1 1 31 31 PHE HZ H 1 7.076 0.01 . 1 . . . . . 31 . . . 6137 1 201 . 1 1 31 31 PHE HE1 H 1 7.394 0.01 . 1 . . . . . 31 . . . 6137 1 202 . 1 1 31 31 PHE HD1 H 1 7.204 0.01 . 1 . . . . . 31 . . . 6137 1 203 . 1 1 32 32 SER H H 1 7.999 0.01 . 1 . . . . . 32 . . . 6137 1 204 . 1 1 32 32 SER HA H 1 4.430 0.01 . 1 . . . . . 32 . . . 6137 1 205 . 1 1 32 32 SER HB3 H 1 3.905 0.01 . 2 . . . . . 32 . . . 6137 1 206 . 1 1 34 34 ASN H H 1 8.285 0.01 . 1 . . . . . 34 . . . 6137 1 207 . 1 1 34 34 ASN HA H 1 4.637 0.01 . 1 . . . . . 34 . . . 6137 1 208 . 1 1 34 34 ASN HB2 H 1 2.740 0.01 . 2 . . . . . 34 . . . 6137 1 209 . 1 1 34 34 ASN HB3 H 1 2.464 0.01 . 2 . . . . . 34 . . . 6137 1 210 . 1 1 35 35 GLN H H 1 8.112 0.01 . 1 . . . . . 35 . . . 6137 1 211 . 1 1 35 35 GLN HA H 1 4.261 0.01 . 1 . . . . . 35 . . . 6137 1 212 . 1 1 35 35 GLN HB2 H 1 1.921 0.01 . 2 . . . . . 35 . . . 6137 1 213 . 1 1 35 35 GLN HB3 H 1 1.835 0.01 . 2 . . . . . 35 . . . 6137 1 214 . 1 1 35 35 GLN HG2 H 1 2.099 0.01 . 2 . . . . . 35 . . . 6137 1 215 . 1 1 36 36 TRP H H 1 8.069 0.01 . 1 . . . . . 36 . . . 6137 1 216 . 1 1 36 36 TRP HA H 1 4.777 0.01 . 1 . . . . . 36 . . . 6137 1 217 . 1 1 36 36 TRP HB2 H 1 3.397 0.01 . 2 . . . . . 36 . . . 6137 1 218 . 1 1 36 36 TRP HB3 H 1 3.234 0.01 . 2 . . . . . 36 . . . 6137 1 219 . 1 1 36 36 TRP HD1 H 1 7.266 0.01 . 1 . . . . . 36 . . . 6137 1 220 . 1 1 36 36 TRP HE1 H 1 10.063 0.01 . 2 . . . . . 36 . . . 6137 1 221 . 1 1 36 36 TRP HZ2 H 1 7.482 0.01 . 2 . . . . . 36 . . . 6137 1 222 . 1 1 36 36 TRP HH2 H 1 7.218 0.01 . 1 . . . . . 36 . . . 6137 1 223 . 1 1 36 36 TRP HZ3 H 1 7.161 0.01 . 2 . . . . . 36 . . . 6137 1 224 . 1 1 36 36 TRP HE3 H 1 7.652 0.01 . 2 . . . . . 36 . . . 6137 1 225 . 1 1 37 37 GLY H H 1 7.976 0.01 . 1 . . . . . 37 . . . 6137 1 226 . 1 1 37 37 GLY HA2 H 1 4.077 0.01 . 2 . . . . . 37 . . . 6137 1 227 . 1 1 38 38 PRO HA H 1 4.439 0.01 . 1 . . . . . 38 . . . 6137 1 228 . 1 1 38 38 PRO HG2 H 1 2.027 0.01 . 2 . . . . . 38 . . . 6137 1 229 . 1 1 38 38 PRO HD2 H 1 3.651 0.01 . 2 . . . . . 38 . . . 6137 1 230 . 1 1 38 38 PRO HD3 H 1 3.604 0.01 . 2 . . . . . 38 . . . 6137 1 231 . 1 1 39 39 GLN H H 1 8.540 0.01 . 1 . . . . . 39 . . . 6137 1 232 . 1 1 39 39 GLN HA H 1 4.307 0.01 . 1 . . . . . 39 . . . 6137 1 233 . 1 1 39 39 GLN HB2 H 1 2.178 0.01 . 2 . . . . . 39 . . . 6137 1 234 . 1 1 39 39 GLN HB3 H 1 2.037 0.01 . 2 . . . . . 39 . . . 6137 1 235 . 1 1 39 39 GLN HG2 H 1 2.412 0.01 . 2 . . . . . 39 . . . 6137 1 236 . 1 1 40 40 GLN H H 1 8.311 0.01 . 1 . . . . . 40 . . . 6137 1 237 . 1 1 40 40 GLN HA H 1 4.341 0.01 . 1 . . . . . 40 . . . 6137 1 238 . 1 1 40 40 GLN HB2 H 1 2.162 0.01 . 2 . . . . . 40 . . . 6137 1 239 . 1 1 40 40 GLN HB3 H 1 2.039 0.01 . 2 . . . . . 40 . . . 6137 1 240 . 1 1 40 40 GLN HG2 H 1 2.366 0.01 . 2 . . . . . 40 . . . 6137 1 241 . 1 1 41 41 GLY H H 1 8.272 0.01 . 1 . . . . . 41 . . . 6137 1 242 . 1 1 41 41 GLY HA2 H 1 4.161 0.01 . 2 . . . . . 41 . . . 6137 1 243 . 1 1 42 42 PRO HA H 1 4.447 0.01 . 1 . . . . . 42 . . . 6137 1 244 . 1 1 42 42 PRO HB2 H 1 2.271 0.01 . 2 . . . . . 42 . . . 6137 1 245 . 1 1 42 42 PRO HD2 H 1 3.685 0.01 . 2 . . . . . 42 . . . 6137 1 246 . 1 1 42 42 PRO HD3 H 1 3.662 0.01 . 2 . . . . . 42 . . . 6137 1 247 . 1 1 43 43 SER H H 1 8.285 0.01 . 1 . . . . . 43 . . . 6137 1 248 . 1 1 43 43 SER HA H 1 4.314 0.01 . 1 . . . . . 43 . . . 6137 1 249 . 1 1 43 43 SER HB2 H 1 4.143 0.01 . 2 . . . . . 43 . . . 6137 1 250 . 1 1 43 43 SER HB3 H 1 3.937 0.01 . 2 . . . . . 43 . . . 6137 1 251 . 1 1 44 44 LEU H H 1 8.546 0.01 . 1 . . . . . 44 . . . 6137 1 252 . 1 1 44 44 LEU HA H 1 4.071 0.01 . 1 . . . . . 44 . . . 6137 1 253 . 1 1 44 44 LEU HB2 H 1 1.656 0.01 . 1 . . . . . 44 . . . 6137 1 254 . 1 1 44 44 LEU HG H 1 1.841 0.01 . 1 . . . . . 44 . . . 6137 1 255 . 1 1 44 44 LEU HD11 H 1 1.006 0.01 . 2 . . . . . 44 . . . 6137 1 256 . 1 1 44 44 LEU HD12 H 1 1.006 0.01 . 2 . . . . . 44 . . . 6137 1 257 . 1 1 44 44 LEU HD13 H 1 1.006 0.01 . 2 . . . . . 44 . . . 6137 1 258 . 1 1 44 44 LEU HD21 H 1 0.985 0.01 . 2 . . . . . 44 . . . 6137 1 259 . 1 1 44 44 LEU HD22 H 1 0.985 0.01 . 2 . . . . . 44 . . . 6137 1 260 . 1 1 44 44 LEU HD23 H 1 0.985 0.01 . 2 . . . . . 44 . . . 6137 1 261 . 1 1 45 45 ARG H H 1 7.864 0.01 . 1 . . . . . 45 . . . 6137 1 262 . 1 1 45 45 ARG HA H 1 3.970 0.01 . 1 . . . . . 45 . . . 6137 1 263 . 1 1 45 45 ARG HB3 H 1 1.175 0.01 . 2 . . . . . 45 . . . 6137 1 264 . 1 1 45 45 ARG HB2 H 1 1.414 0.01 . 2 . . . . . 45 . . . 6137 1 265 . 1 1 45 45 ARG HG3 H 1 0.729 0.01 . 2 . . . . . 45 . . . 6137 1 266 . 1 1 45 45 ARG HG2 H 1 1.028 0.01 . 2 . . . . . 45 . . . 6137 1 267 . 1 1 45 45 ARG HD3 H 1 2.674 0.01 . 2 . . . . . 45 . . . 6137 1 268 . 1 1 45 45 ARG HD2 H 1 2.952 0.01 . 2 . . . . . 45 . . . 6137 1 269 . 1 1 45 45 ARG HE H 1 6.935 0.01 . 1 . . . . . 45 . . . 6137 1 270 . 1 1 45 45 ARG HH21 H 1 6.632 0.01 . 1 . . . . . 45 . . . 6137 1 271 . 1 1 46 46 GLU H H 1 7.598 0.01 . 1 . . . . . 46 . . . 6137 1 272 . 1 1 46 46 GLU HA H 1 3.742 0.01 . 1 . . . . . 46 . . . 6137 1 273 . 1 1 46 46 GLU HB2 H 1 2.099 0.01 . 2 . . . . . 46 . . . 6137 1 274 . 1 1 46 46 GLU HG3 H 1 2.467 0.01 . 2 . . . . . 46 . . . 6137 1 275 . 1 1 46 46 GLU HG2 H 1 2.446 0.01 . 2 . . . . . 46 . . . 6137 1 276 . 1 1 47 47 GLN H H 1 8.223 0.01 . 1 . . . . . 47 . . . 6137 1 277 . 1 1 47 47 GLN HA H 1 3.978 0.01 . 1 . . . . . 47 . . . 6137 1 278 . 1 1 47 47 GLN HB2 H 1 2.125 0.01 . 2 . . . . . 47 . . . 6137 1 279 . 1 1 47 47 GLN HB3 H 1 1.971 0.01 . 2 . . . . . 47 . . . 6137 1 280 . 1 1 47 47 GLN HG2 H 1 2.518 0.01 . 2 . . . . . 47 . . . 6137 1 281 . 1 1 47 47 GLN HG3 H 1 2.312 0.01 . 2 . . . . . 47 . . . 6137 1 282 . 1 1 47 47 GLN HE21 H 1 7.065 0.01 . 2 . . . . . 47 . . . 6137 1 283 . 1 1 47 47 GLN HE22 H 1 6.887 0.01 . 2 . . . . . 47 . . . 6137 1 284 . 1 1 48 48 CYS H H 1 8.193 0.01 . 1 . . . . . 48 . . . 6137 1 285 . 1 1 48 48 CYS HA H 1 4.422 0.01 . 1 . . . . . 48 . . . 6137 1 286 . 1 1 48 48 CYS HB2 H 1 2.794 0.01 . 2 . . . . . 48 . . . 6137 1 287 . 1 1 48 48 CYS HB3 H 1 2.717 0.01 . 2 . . . . . 48 . . . 6137 1 288 . 1 1 49 49 CYS H H 1 8.700 0.01 . 1 . . . . . 49 . . . 6137 1 289 . 1 1 49 49 CYS HA H 1 4.253 0.01 . 1 . . . . . 49 . . . 6137 1 290 . 1 1 49 49 CYS HB2 H 1 2.810 0.01 . 2 . . . . . 49 . . . 6137 1 291 . 1 1 49 49 CYS HB3 H 1 2.593 0.01 . 2 . . . . . 49 . . . 6137 1 292 . 1 1 50 50 ASN H H 1 8.419 0.01 . 1 . . . . . 50 . . . 6137 1 293 . 1 1 50 50 ASN HA H 1 4.433 0.01 . 1 . . . . . 50 . . . 6137 1 294 . 1 1 50 50 ASN HB2 H 1 2.888 0.01 . 2 . . . . . 50 . . . 6137 1 295 . 1 1 50 50 ASN HB3 H 1 2.771 0.01 . 2 . . . . . 50 . . . 6137 1 296 . 1 1 50 50 ASN HD21 H 1 7.564 0.01 . 2 . . . . . 50 . . . 6137 1 297 . 1 1 50 50 ASN HD22 H 1 6.781 0.01 . 2 . . . . . 50 . . . 6137 1 298 . 1 1 51 51 GLU H H 1 7.515 0.01 . 1 . . . . . 51 . . . 6137 1 299 . 1 1 51 51 GLU HA H 1 4.060 0.01 . 1 . . . . . 51 . . . 6137 1 300 . 1 1 51 51 GLU HB3 H 1 1.907 0.01 . 2 . . . . . 51 . . . 6137 1 301 . 1 1 51 51 GLU HB2 H 1 2.068 0.01 . 2 . . . . . 51 . . . 6137 1 302 . 1 1 51 51 GLU HG3 H 1 2.703 0.01 . 2 . . . . . 51 . . . 6137 1 303 . 1 1 51 51 GLU HG2 H 1 2.922 0.01 . 2 . . . . . 51 . . . 6137 1 304 . 1 1 52 52 LEU H H 1 7.697 0.01 . 1 . . . . . 52 . . . 6137 1 305 . 1 1 52 52 LEU HA H 1 4.057 0.01 . 1 . . . . . 52 . . . 6137 1 306 . 1 1 52 52 LEU HB2 H 1 1.899 0.01 . 2 . . . . . 52 . . . 6137 1 307 . 1 1 52 52 LEU HB3 H 1 1.207 0.01 . 2 . . . . . 52 . . . 6137 1 308 . 1 1 52 52 LEU HG H 1 2.088 0.01 . 1 . . . . . 52 . . . 6137 1 309 . 1 1 52 52 LEU HD21 H 1 0.898 0.01 . 2 . . . . . 52 . . . 6137 1 310 . 1 1 52 52 LEU HD22 H 1 0.898 0.01 . 2 . . . . . 52 . . . 6137 1 311 . 1 1 52 52 LEU HD23 H 1 0.898 0.01 . 2 . . . . . 52 . . . 6137 1 312 . 1 1 53 53 TYR H H 1 8.689 0.01 . 1 . . . . . 53 . . . 6137 1 313 . 1 1 53 53 TYR HA H 1 4.442 0.01 . 1 . . . . . 53 . . . 6137 1 314 . 1 1 53 53 TYR HB2 H 1 3.295 0.01 . 2 . . . . . 53 . . . 6137 1 315 . 1 1 53 53 TYR HB3 H 1 3.136 0.01 . 2 . . . . . 53 . . . 6137 1 316 . 1 1 53 53 TYR HE1 H 1 6.871 0.01 . 1 . . . . . 53 . . . 6137 1 317 . 1 1 53 53 TYR HD1 H 1 7.243 0.01 . 1 . . . . . 53 . . . 6137 1 318 . 1 1 54 54 GLN H H 1 7.346 0.01 . 1 . . . . . 54 . . . 6137 1 319 . 1 1 54 54 GLN HA H 1 4.234 0.01 . 1 . . . . . 54 . . . 6137 1 320 . 1 1 54 54 GLN HB2 H 1 2.253 0.01 . 2 . . . . . 54 . . . 6137 1 321 . 1 1 54 54 GLN HB3 H 1 2.055 0.01 . 2 . . . . . 54 . . . 6137 1 322 . 1 1 54 54 GLN HG2 H 1 2.683 0.01 . 2 . . . . . 54 . . . 6137 1 323 . 1 1 54 54 GLN HG3 H 1 2.582 0.01 . 2 . . . . . 54 . . . 6137 1 324 . 1 1 55 55 GLU H H 1 7.200 0.01 . 1 . . . . . 55 . . . 6137 1 325 . 1 1 55 55 GLU HA H 1 4.269 0.01 . 1 . . . . . 55 . . . 6137 1 326 . 1 1 55 55 GLU HB2 H 1 2.090 0.01 . 2 . . . . . 55 . . . 6137 1 327 . 1 1 55 55 GLU HG3 H 1 2.160 0.01 . 2 . . . . . 55 . . . 6137 1 328 . 1 1 55 55 GLU HG2 H 1 2.214 0.01 . 2 . . . . . 55 . . . 6137 1 329 . 1 1 56 56 ASP H H 1 8.578 0.01 . 1 . . . . . 56 . . . 6137 1 330 . 1 1 56 56 ASP HA H 1 4.649 0.01 . 1 . . . . . 56 . . . 6137 1 331 . 1 1 56 56 ASP HB2 H 1 2.884 0.01 . 2 . . . . . 56 . . . 6137 1 332 . 1 1 56 56 ASP HB3 H 1 2.568 0.01 . 2 . . . . . 56 . . . 6137 1 333 . 1 1 57 57 GLN H H 1 9.035 0.01 . 1 . . . . . 57 . . . 6137 1 334 . 1 1 57 57 GLN HA H 1 4.077 0.01 . 1 . . . . . 57 . . . 6137 1 335 . 1 1 57 57 GLN HB2 H 1 2.214 0.01 . 2 . . . . . 57 . . . 6137 1 336 . 1 1 57 57 GLN HB3 H 1 2.097 0.01 . 2 . . . . . 57 . . . 6137 1 337 . 1 1 57 57 GLN HG2 H 1 2.377 0.01 . 2 . . . . . 57 . . . 6137 1 338 . 1 1 57 57 GLN HG3 H 1 2.536 0.01 . 2 . . . . . 57 . . . 6137 1 339 . 1 1 58 58 VAL H H 1 8.195 0.01 . 1 . . . . . 58 . . . 6137 1 340 . 1 1 58 58 VAL HA H 1 4.161 0.01 . 1 . . . . . 58 . . . 6137 1 341 . 1 1 58 58 VAL HB H 1 2.326 0.01 . 1 . . . . . 58 . . . 6137 1 342 . 1 1 58 58 VAL HG21 H 1 1.046 0.01 . 2 . . . . . 58 . . . 6137 1 343 . 1 1 58 58 VAL HG22 H 1 1.046 0.01 . 2 . . . . . 58 . . . 6137 1 344 . 1 1 58 58 VAL HG23 H 1 1.046 0.01 . 2 . . . . . 58 . . . 6137 1 345 . 1 1 58 58 VAL HG11 H 1 1.030 0.01 . 2 . . . . . 58 . . . 6137 1 346 . 1 1 58 58 VAL HG12 H 1 1.030 0.01 . 2 . . . . . 58 . . . 6137 1 347 . 1 1 58 58 VAL HG13 H 1 1.030 0.01 . 2 . . . . . 58 . . . 6137 1 348 . 1 1 59 59 CYS H H 1 8.063 0.01 . 1 . . . . . 59 . . . 6137 1 349 . 1 1 59 59 CYS HA H 1 5.073 0.01 . 1 . . . . . 59 . . . 6137 1 350 . 1 1 59 59 CYS HB2 H 1 3.144 0.01 . 2 . . . . . 59 . . . 6137 1 351 . 1 1 59 59 CYS HB3 H 1 3.031 0.01 . 2 . . . . . 59 . . . 6137 1 352 . 1 1 60 60 VAL H H 1 7.791 0.01 . 1 . . . . . 60 . . . 6137 1 353 . 1 1 60 60 VAL HA H 1 3.634 0.01 . 1 . . . . . 60 . . . 6137 1 354 . 1 1 60 60 VAL HB H 1 2.336 0.01 . 1 . . . . . 60 . . . 6137 1 355 . 1 1 60 60 VAL HG21 H 1 0.999 0.01 . 2 . . . . . 60 . . . 6137 1 356 . 1 1 60 60 VAL HG22 H 1 0.999 0.01 . 2 . . . . . 60 . . . 6137 1 357 . 1 1 60 60 VAL HG23 H 1 0.999 0.01 . 2 . . . . . 60 . . . 6137 1 358 . 1 1 60 60 VAL HG11 H 1 1.160 0.01 . 2 . . . . . 60 . . . 6137 1 359 . 1 1 60 60 VAL HG12 H 1 1.160 0.01 . 2 . . . . . 60 . . . 6137 1 360 . 1 1 60 60 VAL HG13 H 1 1.160 0.01 . 2 . . . . . 60 . . . 6137 1 361 . 1 1 61 61 CYS H H 1 9.752 0.01 . 1 . . . . . 61 . . . 6137 1 362 . 1 1 61 61 CYS HA H 1 4.991 0.01 . 1 . . . . . 61 . . . 6137 1 363 . 1 1 61 61 CYS HB2 H 1 3.284 0.01 . 2 . . . . . 61 . . . 6137 1 364 . 1 1 61 61 CYS HB3 H 1 3.180 0.01 . 2 . . . . . 61 . . . 6137 1 365 . 1 1 62 62 PRO HA H 1 4.299 0.01 . 1 . . . . . 62 . . . 6137 1 366 . 1 1 62 62 PRO HB2 H 1 2.466 0.01 . 2 . . . . . 62 . . . 6137 1 367 . 1 1 62 62 PRO HB3 H 1 2.211 0.01 . 2 . . . . . 62 . . . 6137 1 368 . 1 1 62 62 PRO HG2 H 1 1.779 0.01 . 2 . . . . . 62 . . . 6137 1 369 . 1 1 62 62 PRO HD2 H 1 3.787 0.01 . 2 . . . . . 62 . . . 6137 1 370 . 1 1 63 63 THR H H 1 8.106 0.01 . 1 . . . . . 63 . . . 6137 1 371 . 1 1 63 63 THR HA H 1 4.419 0.01 . 1 . . . . . 63 . . . 6137 1 372 . 1 1 63 63 THR HB H 1 3.885 0.01 . 1 . . . . . 63 . . . 6137 1 373 . 1 1 63 63 THR HG21 H 1 1.465 0.01 . 1 . . . . . 63 . . . 6137 1 374 . 1 1 63 63 THR HG22 H 1 1.465 0.01 . 1 . . . . . 63 . . . 6137 1 375 . 1 1 63 63 THR HG23 H 1 1.465 0.01 . 1 . . . . . 63 . . . 6137 1 376 . 1 1 64 64 LEU H H 1 8.440 0.01 . 1 . . . . . 64 . . . 6137 1 377 . 1 1 64 64 LEU HA H 1 4.147 0.01 . 1 . . . . . 64 . . . 6137 1 378 . 1 1 64 64 LEU HB2 H 1 2.563 0.01 . 2 . . . . . 64 . . . 6137 1 379 . 1 1 64 64 LEU HB3 H 1 1.405 0.01 . 2 . . . . . 64 . . . 6137 1 380 . 1 1 64 64 LEU HG H 1 1.936 0.01 . 1 . . . . . 64 . . . 6137 1 381 . 1 1 64 64 LEU HD21 H 1 1.095 0.01 . 2 . . . . . 64 . . . 6137 1 382 . 1 1 64 64 LEU HD22 H 1 1.095 0.01 . 2 . . . . . 64 . . . 6137 1 383 . 1 1 64 64 LEU HD23 H 1 1.095 0.01 . 2 . . . . . 64 . . . 6137 1 384 . 1 1 65 65 LYS H H 1 8.082 0.01 . 1 . . . . . 65 . . . 6137 1 385 . 1 1 65 65 LYS HA H 1 3.172 0.01 . 1 . . . . . 65 . . . 6137 1 386 . 1 1 65 65 LYS HB2 H 1 1.722 0.01 . 2 . . . . . 65 . . . 6137 1 387 . 1 1 65 65 LYS HG2 H 1 1.176 0.01 . 2 . . . . . 65 . . . 6137 1 388 . 1 1 65 65 LYS HG3 H 1 1.087 0.01 . 2 . . . . . 65 . . . 6137 1 389 . 1 1 65 65 LYS HD2 H 1 0.687 0.01 . 2 . . . . . 65 . . . 6137 1 390 . 1 1 65 65 LYS HD3 H 1 1.430 0.01 . 2 . . . . . 65 . . . 6137 1 391 . 1 1 65 65 LYS HE2 H 1 2.779 0.01 . 2 . . . . . 65 . . . 6137 1 392 . 1 1 66 66 GLN H H 1 7.095 0.01 . 1 . . . . . 66 . . . 6137 1 393 . 1 1 66 66 GLN HA H 1 3.874 0.01 . 1 . . . . . 66 . . . 6137 1 394 . 1 1 66 66 GLN HB2 H 1 1.499 0.01 . 2 . . . . . 66 . . . 6137 1 395 . 1 1 66 66 GLN HB3 H 1 1.440 0.01 . 2 . . . . . 66 . . . 6137 1 396 . 1 1 66 66 GLN HG2 H 1 1.933 0.01 . 2 . . . . . 66 . . . 6137 1 397 . 1 1 66 66 GLN HG3 H 1 1.808 0.01 . 2 . . . . . 66 . . . 6137 1 398 . 1 1 66 66 GLN HE21 H 1 6.636 0.01 . 2 . . . . . 66 . . . 6137 1 399 . 1 1 66 66 GLN HE22 H 1 6.937 0.01 . 2 . . . . . 66 . . . 6137 1 400 . 1 1 67 67 ALA H H 1 8.709 0.01 . 1 . . . . . 67 . . . 6137 1 401 . 1 1 67 67 ALA HA H 1 4.190 0.01 . 1 . . . . . 67 . . . 6137 1 402 . 1 1 67 67 ALA HB1 H 1 1.673 0.01 . 1 . . . . . 67 . . . 6137 1 403 . 1 1 67 67 ALA HB2 H 1 1.673 0.01 . 1 . . . . . 67 . . . 6137 1 404 . 1 1 67 67 ALA HB3 H 1 1.673 0.01 . 1 . . . . . 67 . . . 6137 1 405 . 1 1 68 68 ALA H H 1 8.442 0.01 . 1 . . . . . 68 . . . 6137 1 406 . 1 1 68 68 ALA HA H 1 3.693 0.01 . 1 . . . . . 68 . . . 6137 1 407 . 1 1 68 68 ALA HB1 H 1 1.072 0.01 . 1 . . . . . 68 . . . 6137 1 408 . 1 1 68 68 ALA HB2 H 1 1.072 0.01 . 1 . . . . . 68 . . . 6137 1 409 . 1 1 68 68 ALA HB3 H 1 1.072 0.01 . 1 . . . . . 68 . . . 6137 1 410 . 1 1 69 69 LYS H H 1 7.840 0.01 . 1 . . . . . 69 . . . 6137 1 411 . 1 1 69 69 LYS HA H 1 3.987 0.01 . 1 . . . . . 69 . . . 6137 1 412 . 1 1 69 69 LYS HB2 H 1 1.941 0.01 . 2 . . . . . 69 . . . 6137 1 413 . 1 1 69 69 LYS HB3 H 1 1.788 0.01 . 2 . . . . . 69 . . . 6137 1 414 . 1 1 69 69 LYS HG2 H 1 1.491 0.01 . 2 . . . . . 69 . . . 6137 1 415 . 1 1 69 69 LYS HD2 H 1 1.607 0.01 . 2 . . . . . 69 . . . 6137 1 416 . 1 1 69 69 LYS HE2 H 1 2.946 0.01 . 2 . . . . . 69 . . . 6137 1 417 . 1 1 70 70 SER H H 1 7.589 0.01 . 1 . . . . . 70 . . . 6137 1 418 . 1 1 70 70 SER HA H 1 4.366 0.01 . 1 . . . . . 70 . . . 6137 1 419 . 1 1 70 70 SER HB2 H 1 4.100 0.01 . 2 . . . . . 70 . . . 6137 1 420 . 1 1 70 70 SER HB3 H 1 4.035 0.01 . 2 . . . . . 70 . . . 6137 1 421 . 1 1 71 71 VAL H H 1 7.483 0.01 . 1 . . . . . 71 . . . 6137 1 422 . 1 1 71 71 VAL HA H 1 3.815 0.01 . 1 . . . . . 71 . . . 6137 1 423 . 1 1 71 71 VAL HB H 1 2.204 0.01 . 1 . . . . . 71 . . . 6137 1 424 . 1 1 71 71 VAL HG21 H 1 0.867 0.01 . 2 . . . . . 71 . . . 6137 1 425 . 1 1 71 71 VAL HG22 H 1 0.867 0.01 . 2 . . . . . 71 . . . 6137 1 426 . 1 1 71 71 VAL HG23 H 1 0.867 0.01 . 2 . . . . . 71 . . . 6137 1 427 . 1 1 71 71 VAL HG11 H 1 1.161 0.01 . 2 . . . . . 71 . . . 6137 1 428 . 1 1 71 71 VAL HG12 H 1 1.161 0.01 . 2 . . . . . 71 . . . 6137 1 429 . 1 1 71 71 VAL HG13 H 1 1.161 0.01 . 2 . . . . . 71 . . . 6137 1 430 . 1 1 72 72 ARG H H 1 8.156 0.01 . 1 . . . . . 72 . . . 6137 1 431 . 1 1 72 72 ARG HA H 1 4.233 0.01 . 1 . . . . . 72 . . . 6137 1 432 . 1 1 72 72 ARG HB3 H 1 1.804 0.01 . 2 . . . . . 72 . . . 6137 1 433 . 1 1 72 72 ARG HB2 H 1 1.969 0.01 . 2 . . . . . 72 . . . 6137 1 434 . 1 1 72 72 ARG HG3 H 1 1.671 0.01 . 2 . . . . . 72 . . . 6137 1 435 . 1 1 72 72 ARG HD2 H 1 3.231 0.01 . 2 . . . . . 72 . . . 6137 1 436 . 1 1 72 72 ARG HE H 1 7.219 0.01 . 1 . . . . . 72 . . . 6137 1 437 . 1 1 73 73 VAL H H 1 8.305 0.01 . 1 . . . . . 73 . . . 6137 1 438 . 1 1 73 73 VAL HA H 1 4.196 0.01 . 1 . . . . . 73 . . . 6137 1 439 . 1 1 73 73 VAL HB H 1 2.151 0.01 . 1 . . . . . 73 . . . 6137 1 440 . 1 1 73 73 VAL HG11 H 1 0.954 0.01 . 2 . . . . . 73 . . . 6137 1 441 . 1 1 73 73 VAL HG12 H 1 0.954 0.01 . 2 . . . . . 73 . . . 6137 1 442 . 1 1 73 73 VAL HG13 H 1 0.954 0.01 . 2 . . . . . 73 . . . 6137 1 443 . 1 1 74 74 GLN H H 1 8.225 0.01 . 1 . . . . . 74 . . . 6137 1 444 . 1 1 74 74 GLN HA H 1 4.365 0.01 . 1 . . . . . 74 . . . 6137 1 445 . 1 1 74 74 GLN HB2 H 1 2.158 0.01 . 2 . . . . . 74 . . . 6137 1 446 . 1 1 74 74 GLN HB3 H 1 2.086 0.01 . 2 . . . . . 74 . . . 6137 1 447 . 1 1 74 74 GLN HG2 H 1 2.509 0.01 . 2 . . . . . 74 . . . 6137 1 448 . 1 1 74 74 GLN HG3 H 1 2.415 0.01 . 2 . . . . . 74 . . . 6137 1 449 . 1 1 75 75 GLY H H 1 8.196 0.01 . 1 . . . . . 75 . . . 6137 1 450 . 1 1 75 75 GLY HA3 H 1 3.643 0.01 . 2 . . . . . 75 . . . 6137 1 451 . 1 1 75 75 GLY HA2 H 1 3.971 0.01 . 2 . . . . . 75 . . . 6137 1 452 . 1 1 76 76 GLN H H 1 8.170 0.01 . 1 . . . . . 76 . . . 6137 1 453 . 1 1 76 76 GLN HA H 1 4.269 0.01 . 1 . . . . . 76 . . . 6137 1 454 . 1 1 76 76 GLN HB3 H 1 1.957 0.01 . 2 . . . . . 76 . . . 6137 1 455 . 1 1 76 76 GLN HG2 H 1 2.296 0.01 . 2 . . . . . 76 . . . 6137 1 456 . 1 1 77 77 HIS H H 1 8.612 0.01 . 1 . . . . . 77 . . . 6137 1 457 . 1 1 77 77 HIS HA H 1 4.886 0.01 . 1 . . . . . 77 . . . 6137 1 458 . 1 1 77 77 HIS HB2 H 1 3.352 0.01 . 2 . . . . . 77 . . . 6137 1 459 . 1 1 77 77 HIS HB3 H 1 3.187 0.01 . 2 . . . . . 77 . . . 6137 1 460 . 1 1 77 77 HIS HD2 H 1 7.370 0.01 . 2 . . . . . 77 . . . 6137 1 461 . 1 1 77 77 HIS HE1 H 1 8.659 0.01 . 2 . . . . . 77 . . . 6137 1 462 . 1 1 78 78 GLY H H 1 8.274 0.01 . 1 . . . . . 78 . . . 6137 1 463 . 1 1 78 78 GLY HA2 H 1 3.954 0.01 . 2 . . . . . 78 . . . 6137 1 464 . 1 1 79 79 PRO HA H 1 4.455 0.01 . 1 . . . . . 79 . . . 6137 1 465 . 1 1 79 79 PRO HB2 H 1 2.057 0.01 . 2 . . . . . 79 . . . 6137 1 466 . 1 1 79 79 PRO HB3 H 1 1.856 0.01 . 2 . . . . . 79 . . . 6137 1 467 . 1 1 79 79 PRO HD2 H 1 3.793 0.01 . 2 . . . . . 79 . . . 6137 1 468 . 1 1 79 79 PRO HD3 H 1 3.672 0.01 . 2 . . . . . 79 . . . 6137 1 469 . 1 1 80 80 PHE H H 1 8.330 0.01 . 1 . . . . . 80 . . . 6137 1 470 . 1 1 80 80 PHE HA H 1 4.622 0.01 . 1 . . . . . 80 . . . 6137 1 471 . 1 1 80 80 PHE HB2 H 1 3.163 0.01 . 2 . . . . . 80 . . . 6137 1 472 . 1 1 80 80 PHE HZ H 1 7.376 0.01 . 1 . . . . . 80 . . . 6137 1 473 . 1 1 80 80 PHE HE1 H 1 7.341 0.01 . 1 . . . . . 80 . . . 6137 1 474 . 1 1 80 80 PHE HD1 H 1 7.286 0.01 . 1 . . . . . 80 . . . 6137 1 475 . 1 1 81 81 GLN H H 1 8.280 0.01 . 1 . . . . . 81 . . . 6137 1 476 . 1 1 81 81 GLN HA H 1 4.231 0.01 . 1 . . . . . 81 . . . 6137 1 477 . 1 1 81 81 GLN HB2 H 1 2.119 0.01 . 2 . . . . . 81 . . . 6137 1 478 . 1 1 81 81 GLN HG2 H 1 2.469 0.01 . 2 . . . . . 81 . . . 6137 1 479 . 1 1 82 82 SER H H 1 8.451 0.01 . 1 . . . . . 82 . . . 6137 1 480 . 1 1 82 82 SER HA H 1 4.200 0.01 . 1 . . . . . 82 . . . 6137 1 481 . 1 1 82 82 SER HB2 H 1 4.000 0.01 . 2 . . . . . 82 . . . 6137 1 482 . 1 1 82 82 SER HB3 H 1 3.889 0.01 . 2 . . . . . 82 . . . 6137 1 483 . 1 1 83 83 THR H H 1 8.034 0.01 . 1 . . . . . 83 . . . 6137 1 484 . 1 1 83 83 THR HA H 1 4.066 0.01 . 1 . . . . . 83 . . . 6137 1 485 . 1 1 83 83 THR HB H 1 4.268 0.01 . 1 . . . . . 83 . . . 6137 1 486 . 1 1 83 83 THR HG21 H 1 1.309 0.01 . 1 . . . . . 83 . . . 6137 1 487 . 1 1 83 83 THR HG22 H 1 1.309 0.01 . 1 . . . . . 83 . . . 6137 1 488 . 1 1 83 83 THR HG23 H 1 1.309 0.01 . 1 . . . . . 83 . . . 6137 1 489 . 1 1 84 84 ARG H H 1 7.763 0.01 . 1 . . . . . 84 . . . 6137 1 490 . 1 1 84 84 ARG HA H 1 4.107 0.01 . 1 . . . . . 84 . . . 6137 1 491 . 1 1 84 84 ARG HB2 H 1 1.868 0.01 . 2 . . . . . 84 . . . 6137 1 492 . 1 1 84 84 ARG HG3 H 1 1.627 0.01 . 2 . . . . . 84 . . . 6137 1 493 . 1 1 84 84 ARG HG2 H 1 1.710 0.01 . 2 . . . . . 84 . . . 6137 1 494 . 1 1 84 84 ARG HD3 H 1 3.155 0.01 . 2 . . . . . 84 . . . 6137 1 495 . 1 1 84 84 ARG HD2 H 1 3.280 0.01 . 2 . . . . . 84 . . . 6137 1 496 . 1 1 84 84 ARG HE H 1 7.208 0.01 . 1 . . . . . 84 . . . 6137 1 497 . 1 1 85 85 ILE H H 1 7.830 0.01 . 1 . . . . . 85 . . . 6137 1 498 . 1 1 85 85 ILE HA H 1 3.418 0.01 . 1 . . . . . 85 . . . 6137 1 499 . 1 1 85 85 ILE HB H 1 1.907 0.01 . 1 . . . . . 85 . . . 6137 1 500 . 1 1 85 85 ILE HG12 H 1 0.775 0.01 . 2 . . . . . 85 . . . 6137 1 501 . 1 1 85 85 ILE HG21 H 1 0.828 0.01 . 1 . . . . . 85 . . . 6137 1 502 . 1 1 85 85 ILE HG22 H 1 0.828 0.01 . 1 . . . . . 85 . . . 6137 1 503 . 1 1 85 85 ILE HG23 H 1 0.828 0.01 . 1 . . . . . 85 . . . 6137 1 504 . 1 1 86 86 TYR H H 1 7.810 0.01 . 1 . . . . . 86 . . . 6137 1 505 . 1 1 86 86 TYR HA H 1 4.184 0.01 . 1 . . . . . 86 . . . 6137 1 506 . 1 1 86 86 TYR HB2 H 1 3.167 0.01 . 2 . . . . . 86 . . . 6137 1 507 . 1 1 86 86 TYR HB3 H 1 3.089 0.01 . 2 . . . . . 86 . . . 6137 1 508 . 1 1 86 86 TYR HD1 H 1 7.123 0.01 . 2 . . . . . 86 . . . 6137 1 509 . 1 1 86 86 TYR HE1 H 1 6.684 0.01 . 1 . . . . . 86 . . . 6137 1 510 . 1 1 86 86 TYR HD2 H 1 7.121 0.01 . 2 . . . . . 86 . . . 6137 1 511 . 1 1 87 87 GLN H H 1 8.139 0.01 . 1 . . . . . 87 . . . 6137 1 512 . 1 1 87 87 GLN HA H 1 3.900 0.01 . 1 . . . . . 87 . . . 6137 1 513 . 1 1 87 87 GLN HB2 H 1 2.310 0.01 . 2 . . . . . 87 . . . 6137 1 514 . 1 1 87 87 GLN HB3 H 1 2.189 0.01 . 2 . . . . . 87 . . . 6137 1 515 . 1 1 87 87 GLN HG2 H 1 2.564 0.01 . 2 . . . . . 87 . . . 6137 1 516 . 1 1 87 87 GLN HG3 H 1 2.450 0.01 . 2 . . . . . 87 . . . 6137 1 517 . 1 1 88 88 ILE H H 1 8.082 0.01 . 1 . . . . . 88 . . . 6137 1 518 . 1 1 88 88 ILE HA H 1 3.873 0.01 . 1 . . . . . 88 . . . 6137 1 519 . 1 1 88 88 ILE HB H 1 1.866 0.01 . 1 . . . . . 88 . . . 6137 1 520 . 1 1 88 88 ILE HG12 H 1 1.094 0.01 . 1 . . . . . 88 . . . 6137 1 521 . 1 1 88 88 ILE HG13 H 1 1.068 0.01 . 1 . . . . . 88 . . . 6137 1 522 . 1 1 88 88 ILE HD11 H 1 0.703 0.01 . 1 . . . . . 88 . . . 6137 1 523 . 1 1 88 88 ILE HD12 H 1 0.703 0.01 . 1 . . . . . 88 . . . 6137 1 524 . 1 1 88 88 ILE HD13 H 1 0.703 0.01 . 1 . . . . . 88 . . . 6137 1 525 . 1 1 88 88 ILE HG21 H 1 0.929 0.01 . 1 . . . . . 88 . . . 6137 1 526 . 1 1 88 88 ILE HG22 H 1 0.929 0.01 . 1 . . . . . 88 . . . 6137 1 527 . 1 1 88 88 ILE HG23 H 1 0.929 0.01 . 1 . . . . . 88 . . . 6137 1 528 . 1 1 89 89 ALA H H 1 8.349 0.01 . 1 . . . . . 89 . . . 6137 1 529 . 1 1 89 89 ALA HA H 1 4.108 0.01 . 1 . . . . . 89 . . . 6137 1 530 . 1 1 89 89 ALA HB1 H 1 1.610 0.01 . 1 . . . . . 89 . . . 6137 1 531 . 1 1 89 89 ALA HB2 H 1 1.610 0.01 . 1 . . . . . 89 . . . 6137 1 532 . 1 1 89 89 ALA HB3 H 1 1.610 0.01 . 1 . . . . . 89 . . . 6137 1 533 . 1 1 90 90 LYS H H 1 8.492 0.01 . 1 . . . . . 90 . . . 6137 1 534 . 1 1 90 90 LYS HA H 1 3.575 0.01 . 1 . . . . . 90 . . . 6137 1 535 . 1 1 90 90 LYS HB2 H 1 1.863 0.01 . 2 . . . . . 90 . . . 6137 1 536 . 1 1 90 90 LYS HG2 H 1 1.432 0.01 . 2 . . . . . 90 . . . 6137 1 537 . 1 1 90 90 LYS HD2 H 1 1.605 0.01 . 2 . . . . . 90 . . . 6137 1 538 . 1 1 90 90 LYS HD3 H 1 1.101 0.01 . 2 . . . . . 90 . . . 6137 1 539 . 1 1 90 90 LYS HE2 H 1 3.156 0.01 . 2 . . . . . 90 . . . 6137 1 540 . 1 1 90 90 LYS HZ1 H 1 7.392 0.01 . 1 . . . . . 90 . . . 6137 1 541 . 1 1 90 90 LYS HZ2 H 1 7.392 0.01 . 1 . . . . . 90 . . . 6137 1 542 . 1 1 90 90 LYS HZ3 H 1 7.392 0.01 . 1 . . . . . 90 . . . 6137 1 543 . 1 1 91 91 ASN H H 1 7.092 0.01 . 1 . . . . . 91 . . . 6137 1 544 . 1 1 91 91 ASN HA H 1 4.995 0.01 . 1 . . . . . 91 . . . 6137 1 545 . 1 1 91 91 ASN HB2 H 1 3.097 0.01 . 2 . . . . . 91 . . . 6137 1 546 . 1 1 91 91 ASN HB3 H 1 2.742 0.01 . 2 . . . . . 91 . . . 6137 1 547 . 1 1 91 91 ASN HD21 H 1 7.752 0.01 . 2 . . . . . 91 . . . 6137 1 548 . 1 1 91 91 ASN HD22 H 1 7.191 0.01 . 2 . . . . . 91 . . . 6137 1 549 . 1 1 92 92 LEU H H 1 7.717 0.01 . 1 . . . . . 92 . . . 6137 1 550 . 1 1 92 92 LEU HA H 1 4.116 0.01 . 1 . . . . . 92 . . . 6137 1 551 . 1 1 92 92 LEU HB2 H 1 2.368 0.01 . 2 . . . . . 92 . . . 6137 1 552 . 1 1 92 92 LEU HB3 H 1 1.235 0.01 . 2 . . . . . 92 . . . 6137 1 553 . 1 1 92 92 LEU HG H 1 1.919 0.01 . 1 . . . . . 92 . . . 6137 1 554 . 1 1 92 92 LEU HD11 H 1 1.074 0.01 . 2 . . . . . 92 . . . 6137 1 555 . 1 1 92 92 LEU HD12 H 1 1.074 0.01 . 2 . . . . . 92 . . . 6137 1 556 . 1 1 92 92 LEU HD13 H 1 1.074 0.01 . 2 . . . . . 92 . . . 6137 1 557 . 1 1 92 92 LEU HD21 H 1 0.555 0.01 . 2 . . . . . 92 . . . 6137 1 558 . 1 1 92 92 LEU HD22 H 1 0.555 0.01 . 2 . . . . . 92 . . . 6137 1 559 . 1 1 92 92 LEU HD23 H 1 0.555 0.01 . 2 . . . . . 92 . . . 6137 1 560 . 1 1 93 93 PRO HA H 1 4.999 0.01 . 1 . . . . . 93 . . . 6137 1 561 . 1 1 93 93 PRO HB2 H 1 2.383 0.01 . 2 . . . . . 93 . . . 6137 1 562 . 1 1 93 93 PRO HB3 H 1 2.274 0.01 . 2 . . . . . 93 . . . 6137 1 563 . 1 1 93 93 PRO HG2 H 1 2.153 0.01 . 2 . . . . . 93 . . . 6137 1 564 . 1 1 93 93 PRO HD3 H 1 3.549 0.01 . 2 . . . . . 93 . . . 6137 1 565 . 1 1 94 94 ASN H H 1 7.197 0.01 . 1 . . . . . 94 . . . 6137 1 566 . 1 1 94 94 ASN HA H 1 4.434 0.01 . 1 . . . . . 94 . . . 6137 1 567 . 1 1 94 94 ASN HB2 H 1 2.945 0.01 . 2 . . . . . 94 . . . 6137 1 568 . 1 1 94 94 ASN HB3 H 1 2.807 0.01 . 2 . . . . . 94 . . . 6137 1 569 . 1 1 94 94 ASN HD21 H 1 7.555 0.01 . 2 . . . . . 94 . . . 6137 1 570 . 1 1 94 94 ASN HD22 H 1 7.053 0.01 . 2 . . . . . 94 . . . 6137 1 571 . 1 1 95 95 VAL H H 1 7.799 0.01 . 1 . . . . . 95 . . . 6137 1 572 . 1 1 95 95 VAL HA H 1 3.740 0.01 . 1 . . . . . 95 . . . 6137 1 573 . 1 1 95 95 VAL HB H 1 2.348 0.01 . 1 . . . . . 95 . . . 6137 1 574 . 1 1 95 95 VAL HG21 H 1 1.132 0.01 . 2 . . . . . 95 . . . 6137 1 575 . 1 1 95 95 VAL HG22 H 1 1.132 0.01 . 2 . . . . . 95 . . . 6137 1 576 . 1 1 95 95 VAL HG23 H 1 1.132 0.01 . 2 . . . . . 95 . . . 6137 1 577 . 1 1 95 95 VAL HG11 H 1 0.801 0.01 . 2 . . . . . 95 . . . 6137 1 578 . 1 1 95 95 VAL HG12 H 1 0.801 0.01 . 2 . . . . . 95 . . . 6137 1 579 . 1 1 95 95 VAL HG13 H 1 0.801 0.01 . 2 . . . . . 95 . . . 6137 1 580 . 1 1 96 96 CYS H H 1 7.868 0.01 . 1 . . . . . 96 . . . 6137 1 581 . 1 1 96 96 CYS HA H 1 4.764 0.01 . 1 . . . . . 96 . . . 6137 1 582 . 1 1 96 96 CYS HB2 H 1 3.292 0.01 . 2 . . . . . 96 . . . 6137 1 583 . 1 1 96 96 CYS HB3 H 1 2.504 0.01 . 2 . . . . . 96 . . . 6137 1 584 . 1 1 97 97 ASN H H 1 8.235 0.01 . 1 . . . . . 97 . . . 6137 1 585 . 1 1 97 97 ASN HA H 1 4.520 0.01 . 1 . . . . . 97 . . . 6137 1 586 . 1 1 97 97 ASN HB2 H 1 3.265 0.01 . 2 . . . . . 97 . . . 6137 1 587 . 1 1 97 97 ASN HB3 H 1 2.907 0.01 . 2 . . . . . 97 . . . 6137 1 588 . 1 1 97 97 ASN HD21 H 1 6.834 0.01 . 2 . . . . . 97 . . . 6137 1 589 . 1 1 97 97 ASN HD22 H 1 7.525 0.01 . 2 . . . . . 97 . . . 6137 1 590 . 1 1 98 98 MET H H 1 8.670 0.01 . 1 . . . . . 98 . . . 6137 1 591 . 1 1 98 98 MET HA H 1 4.673 0.01 . 1 . . . . . 98 . . . 6137 1 592 . 1 1 98 98 MET HB2 H 1 2.088 0.01 . 2 . . . . . 98 . . . 6137 1 593 . 1 1 98 98 MET HB3 H 1 2.007 0.01 . 2 . . . . . 98 . . . 6137 1 594 . 1 1 98 98 MET HG2 H 1 2.551 0.01 . 2 . . . . . 98 . . . 6137 1 595 . 1 1 98 98 MET HG3 H 1 2.355 0.01 . 2 . . . . . 98 . . . 6137 1 596 . 1 1 98 98 MET HE1 H 1 1.488 0.01 . 1 . . . . . 98 . . . 6137 1 597 . 1 1 98 98 MET HE2 H 1 1.488 0.01 . 1 . . . . . 98 . . . 6137 1 598 . 1 1 98 98 MET HE3 H 1 1.488 0.01 . 1 . . . . . 98 . . . 6137 1 599 . 1 1 99 99 LYS H H 1 7.912 0.01 . 1 . . . . . 99 . . . 6137 1 600 . 1 1 99 99 LYS HA H 1 4.010 0.01 . 1 . . . . . 99 . . . 6137 1 601 . 1 1 99 99 LYS HB2 H 1 1.860 0.01 . 2 . . . . . 99 . . . 6137 1 602 . 1 1 99 99 LYS HG2 H 1 1.496 0.01 . 2 . . . . . 99 . . . 6137 1 603 . 1 1 99 99 LYS HD2 H 1 1.722 0.01 . 2 . . . . . 99 . . . 6137 1 604 . 1 1 99 99 LYS HE2 H 1 3.053 0.01 . 2 . . . . . 99 . . . 6137 1 605 . 1 1 99 99 LYS HZ1 H 1 7.535 0.01 . 1 . . . . . 99 . . . 6137 1 606 . 1 1 99 99 LYS HZ2 H 1 7.535 0.01 . 1 . . . . . 99 . . . 6137 1 607 . 1 1 99 99 LYS HZ3 H 1 7.535 0.01 . 1 . . . . . 99 . . . 6137 1 608 . 1 1 100 100 GLN H H 1 9.012 0.01 . 1 . . . . . 100 . . . 6137 1 609 . 1 1 100 100 GLN HA H 1 4.212 0.01 . 1 . . . . . 100 . . . 6137 1 610 . 1 1 100 100 GLN HB2 H 1 2.176 0.01 . 2 . . . . . 100 . . . 6137 1 611 . 1 1 100 100 GLN HB3 H 1 2.087 0.01 . 2 . . . . . 100 . . . 6137 1 612 . 1 1 100 100 GLN HG2 H 1 2.523 0.01 . 2 . . . . . 100 . . . 6137 1 613 . 1 1 100 100 GLN HG3 H 1 2.396 0.01 . 2 . . . . . 100 . . . 6137 1 614 . 1 1 100 100 GLN HE21 H 1 7.594 0.01 . 2 . . . . . 100 . . . 6137 1 615 . 1 1 100 100 GLN HE22 H 1 6.944 0.01 . 2 . . . . . 100 . . . 6137 1 616 . 1 1 101 101 ILE H H 1 7.319 0.01 . 1 . . . . . 101 . . . 6137 1 617 . 1 1 101 101 ILE HA H 1 4.012 0.01 . 1 . . . . . 101 . . . 6137 1 618 . 1 1 101 101 ILE HB H 1 2.098 0.01 . 1 . . . . . 101 . . . 6137 1 619 . 1 1 101 101 ILE HG12 H 1 1.823 0.01 . 1 . . . . . 101 . . . 6137 1 620 . 1 1 101 101 ILE HG13 H 1 1.191 0.01 . 1 . . . . . 101 . . . 6137 1 621 . 1 1 101 101 ILE HG21 H 1 0.963 0.01 . 1 . . . . . 101 . . . 6137 1 622 . 1 1 101 101 ILE HG22 H 1 0.963 0.01 . 1 . . . . . 101 . . . 6137 1 623 . 1 1 101 101 ILE HG23 H 1 0.963 0.01 . 1 . . . . . 101 . . . 6137 1 624 . 1 1 102 102 GLY H H 1 7.574 0.01 . 1 . . . . . 102 . . . 6137 1 625 . 1 1 102 102 GLY HA3 H 1 3.716 0.01 . 2 . . . . . 102 . . . 6137 1 626 . 1 1 102 102 GLY HA2 H 1 3.978 0.01 . 2 . . . . . 102 . . . 6137 1 627 . 1 1 103 103 THR H H 1 7.845 0.01 . 1 . . . . . 103 . . . 6137 1 628 . 1 1 103 103 THR HA H 1 4.267 0.01 . 1 . . . . . 103 . . . 6137 1 629 . 1 1 103 103 THR HB H 1 3.895 0.01 . 1 . . . . . 103 . . . 6137 1 630 . 1 1 103 103 THR HG21 H 1 1.138 0.01 . 1 . . . . . 103 . . . 6137 1 631 . 1 1 103 103 THR HG22 H 1 1.138 0.01 . 1 . . . . . 103 . . . 6137 1 632 . 1 1 103 103 THR HG23 H 1 1.138 0.01 . 1 . . . . . 103 . . . 6137 1 633 . 1 1 104 104 CYS H H 1 8.728 0.01 . 1 . . . . . 104 . . . 6137 1 634 . 1 1 104 104 CYS HA H 1 4.885 0.01 . 1 . . . . . 104 . . . 6137 1 635 . 1 1 104 104 CYS HB2 H 1 2.591 0.01 . 2 . . . . . 104 . . . 6137 1 636 . 1 1 104 104 CYS HB3 H 1 1.969 0.01 . 2 . . . . . 104 . . . 6137 1 637 . 1 1 105 105 PRO HA H 1 4.604 0.01 . 1 . . . . . 105 . . . 6137 1 638 . 1 1 105 105 PRO HB2 H 1 2.200 0.01 . 2 . . . . . 105 . . . 6137 1 639 . 1 1 105 105 PRO HB3 H 1 2.082 0.01 . 2 . . . . . 105 . . . 6137 1 640 . 1 1 105 105 PRO HD2 H 1 3.945 0.01 . 2 . . . . . 105 . . . 6137 1 641 . 1 1 105 105 PRO HD3 H 1 3.683 0.01 . 2 . . . . . 105 . . . 6137 1 642 . 1 1 106 106 PHE H H 1 8.077 0.01 . 1 . . . . . 106 . . . 6137 1 643 . 1 1 106 106 PHE HA H 1 4.765 0.01 . 1 . . . . . 106 . . . 6137 1 644 . 1 1 106 106 PHE HB3 H 1 3.161 0.01 . 2 . . . . . 106 . . . 6137 1 645 . 1 1 106 106 PHE HZ H 1 6.951 0.01 . 1 . . . . . 106 . . . 6137 1 646 . 1 1 106 106 PHE HE1 H 1 7.154 0.01 . 1 . . . . . 106 . . . 6137 1 647 . 1 1 106 106 PHE HD1 H 1 7.411 0.01 . 1 . . . . . 106 . . . 6137 1 648 . 1 1 107 107 ILE H H 1 8.163 0.01 . 1 . . . . . 107 . . . 6137 1 649 . 1 1 107 107 ILE HA H 1 4.268 0.01 . 1 . . . . . 107 . . . 6137 1 650 . 1 1 107 107 ILE HB H 1 1.893 0.01 . 1 . . . . . 107 . . . 6137 1 651 . 1 1 107 107 ILE HG12 H 1 1.176 0.01 . 1 . . . . . 107 . . . 6137 1 652 . 1 1 107 107 ILE HG13 H 1 1.443 0.01 . 1 . . . . . 107 . . . 6137 1 653 . 1 1 107 107 ILE HD11 H 1 0.877 0.01 . 1 . . . . . 107 . . . 6137 1 654 . 1 1 107 107 ILE HD12 H 1 0.877 0.01 . 1 . . . . . 107 . . . 6137 1 655 . 1 1 107 107 ILE HD13 H 1 0.877 0.01 . 1 . . . . . 107 . . . 6137 1 656 . 1 1 107 107 ILE HG21 H 1 0.925 0.01 . 1 . . . . . 107 . . . 6137 1 657 . 1 1 107 107 ILE HG22 H 1 0.925 0.01 . 1 . . . . . 107 . . . 6137 1 658 . 1 1 107 107 ILE HG23 H 1 0.925 0.01 . 1 . . . . . 107 . . . 6137 1 659 . 1 1 108 108 ALA H H 1 8.249 0.01 . 1 . . . . . 108 . . . 6137 1 660 . 1 1 108 108 ALA HA H 1 4.101 0.01 . 1 . . . . . 108 . . . 6137 1 661 . 1 1 108 108 ALA HB1 H 1 1.261 0.01 . 1 . . . . . 108 . . . 6137 1 662 . 1 1 108 108 ALA HB2 H 1 1.261 0.01 . 1 . . . . . 108 . . . 6137 1 663 . 1 1 108 108 ALA HB3 H 1 1.261 0.01 . 1 . . . . . 108 . . . 6137 1 664 . 1 1 109 109 ILE H H 1 7.372 0.01 . 1 . . . . . 109 . . . 6137 1 665 . 1 1 109 109 ILE HA H 1 4.105 0.01 . 1 . . . . . 109 . . . 6137 1 666 . 1 1 109 109 ILE HB H 1 1.774 0.01 . 1 . . . . . 109 . . . 6137 1 667 . 1 1 109 109 ILE HG12 H 1 1.063 0.01 . 1 . . . . . 109 . . . 6137 1 668 . 1 1 109 109 ILE HG13 H 1 1.335 0.01 . 1 . . . . . 109 . . . 6137 1 669 . 1 1 109 109 ILE HD11 H 1 0.804 0.01 . 1 . . . . . 109 . . . 6137 1 670 . 1 1 109 109 ILE HD12 H 1 0.804 0.01 . 1 . . . . . 109 . . . 6137 1 671 . 1 1 109 109 ILE HD13 H 1 0.804 0.01 . 1 . . . . . 109 . . . 6137 1 672 . 1 1 109 109 ILE HG21 H 1 0.786 0.01 . 1 . . . . . 109 . . . 6137 1 673 . 1 1 109 109 ILE HG22 H 1 0.786 0.01 . 1 . . . . . 109 . . . 6137 1 674 . 1 1 109 109 ILE HG23 H 1 0.786 0.01 . 1 . . . . . 109 . . . 6137 1 stop_ save_