data_5374 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5374 _Entry.Title ; Assignment of 1H and 15N resonances and secondary structure of the recombinant RicC3 of 2S albumin storage protein from ricinus communis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-13 _Entry.Accession_date 2002-05-13 _Entry.Last_release_date 2003-01-06 _Entry.Original_release_date 2003-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Pantoja-Uceda . . . 5374 2 Marta Bruix . . . 5374 3 Javier Varela . . . 5374 4 Maria Lopez-Lucendo . I.F. . 5374 5 Guillermo Gimenez-Gallego . . . 5374 6 Manuel Rico . . . 5374 7 Jorge Santoro . . . 5374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5374 coupling_constants 2 5374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 126 5374 '1H chemical shifts' 829 5374 'coupling constants' 99 5374 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 . . 2003-01-06 2002-05-13 original author . 5374 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5374 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H and 15N resonances and secondary structure of the recombinant RicC3 of 2S albumin storage protein from ricinus communis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 4 _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 331 _Citation.Page_last 332 _Citation.Year 2002 _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 David Pantoja-Uceda . . . 5374 1 2 Marta Bruix . . . 5374 1 3 Javier Varela . . . 5374 1 4 Maria Lopez-Lucendo . I.F. . 5374 1 5 Guillermo Gimenez-Gallego . . . 5374 1 6 Manuel Rico . . . 5374 1 7 Jorge Santoro . . . 5374 1 stop_ save_ save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 5374 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12074150 _Citation.Full_citation ; Fernandez-Tornero, C., Ramon A., Navarro, M.L., Varela, J. & Gimenez-Gallego (2002) Biotechniques,in press ; _Citation.Title 'Synthesis of proteins with disulfide bonds in E. coli using defined culture media.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev BioTechniques _Citation.Journal_name_full BioTechniques _Citation.Journal_volume 32 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0736-6205 _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 1238 _Citation.Page_last 1242 _Citation.Year 2002 _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 C Fernandez-Tornero C. . . 5374 2 2 A Ramon A. . . 5374 2 3 'M L' Navarro M. L. . 5374 2 4 J Varela J. . . 5374 2 5 G Gimenez-Gallego G. . . 5374 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RicC3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RicC3 _Assembly.Entry_ID 5374 _Assembly.ID 1 _Assembly.Name 'protein of 2S albumin storage protein from Ricinus communis' _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 5374 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 'RicC3 recombinant' 1 $RicC3 . . . native . . . . . 5374 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 18 18 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . 5374 1 2 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 5374 1 3 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 114 114 SG . . . . . . . . . . 5374 1 4 disulfide single . 1 . 1 CYS 79 79 SG . 1 . 1 CYS 118 118 SG . . . . . . . . . . 5374 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'protein of 2S albumin storage protein from Ricinus communis' system 5374 1 RicC3 abbreviation 5374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RicC3 _Entity.Sf_category entity _Entity.Sf_framecode RicC3 _Entity.Entry_ID 5374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '2S albumin storage protein from Ricinus communis' _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 ; AEFMESKGEREGSSSQQCRQ EVQRKDLSSCERYLRQSSSR RSTGEEVLRMPGDENQQQES QQLQQCCNQVKQVRDECQCE AIKYIAEDQIQQGQLHGEES ERVAQRAGEIVSSCGVRCMR QTRTN ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 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 . . PDB 1PSY . 'Structure Of Ricc3, Nmr, 20 Structures' . . . . . 100.00 125 100.00 100.00 5.98e-63 . . . . 5374 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2S albumin storage protein from Ricinus communis' common 5374 1 RicC3 abbreviation 5374 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 . ALA . 5374 1 2 . GLU . 5374 1 3 . PHE . 5374 1 4 . MET . 5374 1 5 . GLU . 5374 1 6 . SER . 5374 1 7 . LYS . 5374 1 8 . GLY . 5374 1 9 . GLU . 5374 1 10 . ARG . 5374 1 11 . GLU . 5374 1 12 . GLY . 5374 1 13 . SER . 5374 1 14 . SER . 5374 1 15 . SER . 5374 1 16 . GLN . 5374 1 17 . GLN . 5374 1 18 . CYS . 5374 1 19 . ARG . 5374 1 20 . GLN . 5374 1 21 . GLU . 5374 1 22 . VAL . 5374 1 23 . GLN . 5374 1 24 . ARG . 5374 1 25 . LYS . 5374 1 26 . ASP . 5374 1 27 . LEU . 5374 1 28 . SER . 5374 1 29 . SER . 5374 1 30 . CYS . 5374 1 31 . GLU . 5374 1 32 . ARG . 5374 1 33 . TYR . 5374 1 34 . LEU . 5374 1 35 . ARG . 5374 1 36 . GLN . 5374 1 37 . SER . 5374 1 38 . SER . 5374 1 39 . SER . 5374 1 40 . ARG . 5374 1 41 . ARG . 5374 1 42 . SER . 5374 1 43 . THR . 5374 1 44 . GLY . 5374 1 45 . GLU . 5374 1 46 . GLU . 5374 1 47 . VAL . 5374 1 48 . LEU . 5374 1 49 . ARG . 5374 1 50 . MET . 5374 1 51 . PRO . 5374 1 52 . GLY . 5374 1 53 . ASP . 5374 1 54 . GLU . 5374 1 55 . ASN . 5374 1 56 . GLN . 5374 1 57 . GLN . 5374 1 58 . GLN . 5374 1 59 . GLU . 5374 1 60 . SER . 5374 1 61 . GLN . 5374 1 62 . GLN . 5374 1 63 . LEU . 5374 1 64 . GLN . 5374 1 65 . GLN . 5374 1 66 . CYS . 5374 1 67 . CYS . 5374 1 68 . ASN . 5374 1 69 . GLN . 5374 1 70 . VAL . 5374 1 71 . LYS . 5374 1 72 . GLN . 5374 1 73 . VAL . 5374 1 74 . ARG . 5374 1 75 . ASP . 5374 1 76 . GLU . 5374 1 77 . CYS . 5374 1 78 . GLN . 5374 1 79 . CYS . 5374 1 80 . GLU . 5374 1 81 . ALA . 5374 1 82 . ILE . 5374 1 83 . LYS . 5374 1 84 . TYR . 5374 1 85 . ILE . 5374 1 86 . ALA . 5374 1 87 . GLU . 5374 1 88 . ASP . 5374 1 89 . GLN . 5374 1 90 . ILE . 5374 1 91 . GLN . 5374 1 92 . GLN . 5374 1 93 . GLY . 5374 1 94 . GLN . 5374 1 95 . LEU . 5374 1 96 . HIS . 5374 1 97 . GLY . 5374 1 98 . GLU . 5374 1 99 . GLU . 5374 1 100 . SER . 5374 1 101 . GLU . 5374 1 102 . ARG . 5374 1 103 . VAL . 5374 1 104 . ALA . 5374 1 105 . GLN . 5374 1 106 . ARG . 5374 1 107 . ALA . 5374 1 108 . GLY . 5374 1 109 . GLU . 5374 1 110 . ILE . 5374 1 111 . VAL . 5374 1 112 . SER . 5374 1 113 . SER . 5374 1 114 . CYS . 5374 1 115 . GLY . 5374 1 116 . VAL . 5374 1 117 . ARG . 5374 1 118 . CYS . 5374 1 119 . MET . 5374 1 120 . ARG . 5374 1 121 . GLN . 5374 1 122 . THR . 5374 1 123 . ARG . 5374 1 124 . THR . 5374 1 125 . ASN . 5374 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 . ALA 1 1 5374 1 . GLU 2 2 5374 1 . PHE 3 3 5374 1 . MET 4 4 5374 1 . GLU 5 5 5374 1 . SER 6 6 5374 1 . LYS 7 7 5374 1 . GLY 8 8 5374 1 . GLU 9 9 5374 1 . ARG 10 10 5374 1 . GLU 11 11 5374 1 . GLY 12 12 5374 1 . SER 13 13 5374 1 . SER 14 14 5374 1 . SER 15 15 5374 1 . GLN 16 16 5374 1 . GLN 17 17 5374 1 . CYS 18 18 5374 1 . ARG 19 19 5374 1 . GLN 20 20 5374 1 . GLU 21 21 5374 1 . VAL 22 22 5374 1 . GLN 23 23 5374 1 . ARG 24 24 5374 1 . LYS 25 25 5374 1 . ASP 26 26 5374 1 . LEU 27 27 5374 1 . SER 28 28 5374 1 . SER 29 29 5374 1 . CYS 30 30 5374 1 . GLU 31 31 5374 1 . ARG 32 32 5374 1 . TYR 33 33 5374 1 . LEU 34 34 5374 1 . ARG 35 35 5374 1 . GLN 36 36 5374 1 . SER 37 37 5374 1 . SER 38 38 5374 1 . SER 39 39 5374 1 . ARG 40 40 5374 1 . ARG 41 41 5374 1 . SER 42 42 5374 1 . THR 43 43 5374 1 . GLY 44 44 5374 1 . GLU 45 45 5374 1 . GLU 46 46 5374 1 . VAL 47 47 5374 1 . LEU 48 48 5374 1 . ARG 49 49 5374 1 . MET 50 50 5374 1 . PRO 51 51 5374 1 . GLY 52 52 5374 1 . ASP 53 53 5374 1 . GLU 54 54 5374 1 . ASN 55 55 5374 1 . GLN 56 56 5374 1 . GLN 57 57 5374 1 . GLN 58 58 5374 1 . GLU 59 59 5374 1 . SER 60 60 5374 1 . GLN 61 61 5374 1 . GLN 62 62 5374 1 . LEU 63 63 5374 1 . GLN 64 64 5374 1 . GLN 65 65 5374 1 . CYS 66 66 5374 1 . CYS 67 67 5374 1 . ASN 68 68 5374 1 . GLN 69 69 5374 1 . VAL 70 70 5374 1 . LYS 71 71 5374 1 . GLN 72 72 5374 1 . VAL 73 73 5374 1 . ARG 74 74 5374 1 . ASP 75 75 5374 1 . GLU 76 76 5374 1 . CYS 77 77 5374 1 . GLN 78 78 5374 1 . CYS 79 79 5374 1 . GLU 80 80 5374 1 . ALA 81 81 5374 1 . ILE 82 82 5374 1 . LYS 83 83 5374 1 . TYR 84 84 5374 1 . ILE 85 85 5374 1 . ALA 86 86 5374 1 . GLU 87 87 5374 1 . ASP 88 88 5374 1 . GLN 89 89 5374 1 . ILE 90 90 5374 1 . GLN 91 91 5374 1 . GLN 92 92 5374 1 . GLY 93 93 5374 1 . GLN 94 94 5374 1 . LEU 95 95 5374 1 . HIS 96 96 5374 1 . GLY 97 97 5374 1 . GLU 98 98 5374 1 . GLU 99 99 5374 1 . SER 100 100 5374 1 . GLU 101 101 5374 1 . ARG 102 102 5374 1 . VAL 103 103 5374 1 . ALA 104 104 5374 1 . GLN 105 105 5374 1 . ARG 106 106 5374 1 . ALA 107 107 5374 1 . GLY 108 108 5374 1 . GLU 109 109 5374 1 . ILE 110 110 5374 1 . VAL 111 111 5374 1 . SER 112 112 5374 1 . SER 113 113 5374 1 . CYS 114 114 5374 1 . GLY 115 115 5374 1 . VAL 116 116 5374 1 . ARG 117 117 5374 1 . CYS 118 118 5374 1 . MET 119 119 5374 1 . ARG 120 120 5374 1 . GLN 121 121 5374 1 . THR 122 122 5374 1 . ARG 123 123 5374 1 . THR 124 124 5374 1 . ASN 125 125 5374 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 5374 _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 $RicC3 . 3988 . . 'Ricinus communis' 'castor bean' . . Eukaryota . Ricinus communis . . . . . . . . . . . . . . . . . . . . . 5374 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 5374 _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 $RicC3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'This is a new system; see reference ref1' . . 5374 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5374 _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 '2S albumin storage protein from Ricinus communis' [U-15N] . . 1 $RicC3 . . 2.0 . . mM . . . . 5374 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5374 _Sample.ID 2 _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 '2S albumin storage protein from Ricinus communis' . . . 1 $RicC3 . . 2.0 . . mM . . . . 5374 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions-1 _Sample_condition_list.Entry_ID 5374 _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 3.5 0.1 n/a 5374 1 temperature 308 0.1 K 5374 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5374 _Software.ID 1 _Software.Name NMRView _Software.Version 413-504 _Software.Details ; Johnson, B. A., & Blevins, R. A. (1994) J. Biomol. NMR, 4, 603-614. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5374 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5374 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details ; Delaglio, F.,Grzesiek, S., Vuister, G. W., Zhu,G., Pfeifer, J. and Bax,A. (1995) J. Biomol. NMR, 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5374 2 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 5374 _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 5374 _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 . . . 5374 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 5374 _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 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 2 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 3 '1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 4 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 5 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 6 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 8 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5374 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5374 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5374 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5374 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 5374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions-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 $sample1 . 5374 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 5374 1 2 . 1 1 1 1 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 5374 1 3 . 1 1 1 1 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5374 1 4 . 1 1 1 1 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 5374 1 5 . 1 1 2 2 GLU N N 15 120.1 0.15 . 1 . . . . . . . . 5374 1 6 . 1 1 2 2 GLU H H 1 8.58 0.01 . 1 . . . . . . . . 5374 1 7 . 1 1 2 2 GLU HA H 1 4.37 0.01 . 1 . . . . . . . . 5374 1 8 . 1 1 2 2 GLU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 5374 1 9 . 1 1 2 2 GLU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5374 1 10 . 1 1 2 2 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 5374 1 11 . 1 1 2 2 GLU HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5374 1 12 . 1 1 3 3 PHE N N 15 121.9 0.15 . 1 . . . . . . . . 5374 1 13 . 1 1 3 3 PHE H H 1 8.40 0.01 . 1 . . . . . . . . 5374 1 14 . 1 1 3 3 PHE HA H 1 4.62 0.01 . 1 . . . . . . . . 5374 1 15 . 1 1 3 3 PHE HB2 H 1 3.12 0.01 . 2 . . . . . . . . 5374 1 16 . 1 1 3 3 PHE HB3 H 1 3.08 0.01 . 2 . . . . . . . . 5374 1 17 . 1 1 3 3 PHE HD1 H 1 7.25 0.01 . 1 . . . . . . . . 5374 1 18 . 1 1 3 3 PHE HD2 H 1 7.25 0.01 . 1 . . . . . . . . 5374 1 19 . 1 1 3 3 PHE HE1 H 1 7.04 0.01 . 1 . . . . . . . . 5374 1 20 . 1 1 3 3 PHE HE2 H 1 7.04 0.01 . 1 . . . . . . . . 5374 1 21 . 1 1 3 3 PHE HZ H 1 7.35 0.01 . 1 . . . . . . . . 5374 1 22 . 1 1 4 4 MET N N 15 122.2 0.15 . 1 . . . . . . . . 5374 1 23 . 1 1 4 4 MET H H 1 8.23 0.01 . 1 . . . . . . . . 5374 1 24 . 1 1 4 4 MET HA H 1 4.41 0.01 . 1 . . . . . . . . 5374 1 25 . 1 1 4 4 MET HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5374 1 26 . 1 1 4 4 MET HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5374 1 27 . 1 1 4 4 MET HG2 H 1 2.47 0.01 . 1 . . . . . . . . 5374 1 28 . 1 1 4 4 MET HG3 H 1 2.47 0.01 . 1 . . . . . . . . 5374 1 29 . 1 1 5 5 GLU N N 15 121.9 0.15 . 1 . . . . . . . . 5374 1 30 . 1 1 5 5 GLU H H 1 8.26 0.01 . 1 . . . . . . . . 5374 1 31 . 1 1 5 5 GLU HA H 1 4.36 0.01 . 1 . . . . . . . . 5374 1 32 . 1 1 5 5 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5374 1 33 . 1 1 5 5 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5374 1 34 . 1 1 5 5 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5374 1 35 . 1 1 5 5 GLU HG3 H 1 2.43 0.01 . 1 . . . . . . . . 5374 1 36 . 1 1 6 6 SER N N 15 117.3 0.15 . 1 . . . . . . . . 5374 1 37 . 1 1 6 6 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5374 1 38 . 1 1 6 6 SER HA H 1 4.48 0.01 . 1 . . . . . . . . 5374 1 39 . 1 1 6 6 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 5374 1 40 . 1 1 6 6 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 5374 1 41 . 1 1 7 7 LYS N N 15 123.2 0.15 . 1 . . . . . . . . 5374 1 42 . 1 1 7 7 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 43 . 1 1 7 7 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 5374 1 44 . 1 1 7 7 LYS HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5374 1 45 . 1 1 7 7 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5374 1 46 . 1 1 7 7 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 5374 1 47 . 1 1 7 7 LYS HG3 H 1 1.46 0.01 . 2 . . . . . . . . 5374 1 48 . 1 1 8 8 GLY N N 15 109.4 0.15 . 1 . . . . . . . . 5374 1 49 . 1 1 8 8 GLY H H 1 8.37 0.01 . 1 . . . . . . . . 5374 1 50 . 1 1 8 8 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 5374 1 51 . 1 1 9 9 GLU N N 15 120.1 0.15 . 1 . . . . . . . . 5374 1 52 . 1 1 9 9 GLU H H 1 8.11 0.01 . 1 . . . . . . . . 5374 1 53 . 1 1 9 9 GLU HA H 1 4.35 0.01 . 1 . . . . . . . . 5374 1 54 . 1 1 9 9 GLU HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5374 1 55 . 1 1 9 9 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5374 1 56 . 1 1 9 9 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 57 . 1 1 9 9 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 58 . 1 1 10 10 ARG N N 15 122.2 0.15 . 1 . . . . . . . . 5374 1 59 . 1 1 10 10 ARG H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 60 . 1 1 10 10 ARG HA H 1 4.36 0.01 . 1 . . . . . . . . 5374 1 61 . 1 1 10 10 ARG HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5374 1 62 . 1 1 10 10 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5374 1 63 . 1 1 10 10 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 64 . 1 1 10 10 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 65 . 1 1 10 10 ARG HD2 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 66 . 1 1 10 10 ARG HD3 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 67 . 1 1 10 10 ARG HE H 1 7.46 0.01 . 1 . . . . . . . . 5374 1 68 . 1 1 10 10 ARG HH21 H 1 7.20 0.01 . 1 . . . . . . . . 5374 1 69 . 1 1 10 10 ARG HH22 H 1 7.20 0.01 . 1 . . . . . . . . 5374 1 70 . 1 1 11 11 GLU N N 15 121.6 0.15 . 1 . . . . . . . . 5374 1 71 . 1 1 11 11 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 72 . 1 1 11 11 GLU HA H 1 4.37 0.01 . 1 . . . . . . . . 5374 1 73 . 1 1 11 11 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5374 1 74 . 1 1 11 11 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5374 1 75 . 1 1 11 11 GLU HG2 H 1 2.44 0.01 . 1 . . . . . . . . 5374 1 76 . 1 1 11 11 GLU HG3 H 1 2.44 0.01 . 1 . . . . . . . . 5374 1 77 . 1 1 12 12 GLY N N 15 110.0 0.15 . 1 . . . . . . . . 5374 1 78 . 1 1 12 12 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 5374 1 79 . 1 1 12 12 GLY HA2 H 1 4.03 0.01 . 2 . . . . . . . . 5374 1 80 . 1 1 13 13 SER N N 15 115.8 0.15 . 1 . . . . . . . . 5374 1 81 . 1 1 13 13 SER H H 1 8.28 0.01 . 1 . . . . . . . . 5374 1 82 . 1 1 13 13 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5374 1 83 . 1 1 13 13 SER HB2 H 1 3.95 0.01 . 1 . . . . . . . . 5374 1 84 . 1 1 13 13 SER HB3 H 1 3.95 0.01 . 1 . . . . . . . . 5374 1 85 . 1 1 14 14 SER N N 15 118.2 0.15 . 1 . . . . . . . . 5374 1 86 . 1 1 14 14 SER H H 1 8.48 0.01 . 1 . . . . . . . . 5374 1 87 . 1 1 14 14 SER HA H 1 4.51 0.01 . 1 . . . . . . . . 5374 1 88 . 1 1 14 14 SER HB2 H 1 3.92 0.01 . 2 . . . . . . . . 5374 1 89 . 1 1 14 14 SER HB3 H 1 4.00 0.01 . 2 . . . . . . . . 5374 1 90 . 1 1 15 15 SER N N 15 117.7 0.15 . 1 . . . . . . . . 5374 1 91 . 1 1 15 15 SER H H 1 8.43 0.01 . 1 . . . . . . . . 5374 1 92 . 1 1 15 15 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 5374 1 93 . 1 1 15 15 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 94 . 1 1 15 15 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 95 . 1 1 16 16 GLN N N 15 122.4 0.15 . 1 . . . . . . . . 5374 1 96 . 1 1 16 16 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 5374 1 97 . 1 1 16 16 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 98 . 1 1 16 16 GLN HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5374 1 99 . 1 1 16 16 GLN HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5374 1 100 . 1 1 16 16 GLN HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 101 . 1 1 16 16 GLN HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 102 . 1 1 16 16 GLN NE2 N 15 112.1 0.15 . 1 . . . . . . . . 5374 1 103 . 1 1 16 16 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 5374 1 104 . 1 1 16 16 GLN HE22 H 1 7.48 0.01 . 2 . . . . . . . . 5374 1 105 . 1 1 17 17 GLN N N 15 119.7 0.15 . 1 . . . . . . . . 5374 1 106 . 1 1 17 17 GLN H H 1 8.34 0.01 . 1 . . . . . . . . 5374 1 107 . 1 1 17 17 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 108 . 1 1 17 17 GLN HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5374 1 109 . 1 1 17 17 GLN HB3 H 1 2.15 0.01 . 1 . . . . . . . . 5374 1 110 . 1 1 17 17 GLN HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 111 . 1 1 17 17 GLN HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 112 . 1 1 17 17 GLN NE2 N 15 111.8 0.15 . 1 . . . . . . . . 5374 1 113 . 1 1 17 17 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 5374 1 114 . 1 1 17 17 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 5374 1 115 . 1 1 18 18 CYS N N 15 116.4 0.15 . 1 . . . . . . . . 5374 1 116 . 1 1 18 18 CYS H H 1 8.44 0.01 . 1 . . . . . . . . 5374 1 117 . 1 1 18 18 CYS HA H 1 4.72 0.01 . 1 . . . . . . . . 5374 1 118 . 1 1 18 18 CYS HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5374 1 119 . 1 1 18 18 CYS HB3 H 1 3.07 0.01 . 2 . . . . . . . . 5374 1 120 . 1 1 19 19 ARG N N 15 121.9 0.15 . 1 . . . . . . . . 5374 1 121 . 1 1 19 19 ARG H H 1 8.21 0.01 . 1 . . . . . . . . 5374 1 122 . 1 1 19 19 ARG HA H 1 3.78 0.01 . 1 . . . . . . . . 5374 1 123 . 1 1 19 19 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5374 1 124 . 1 1 19 19 ARG HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5374 1 125 . 1 1 19 19 ARG HG2 H 1 1.38 0.01 . 2 . . . . . . . . 5374 1 126 . 1 1 19 19 ARG HG3 H 1 1.49 0.01 . 2 . . . . . . . . 5374 1 127 . 1 1 19 19 ARG HD2 H 1 3.00 0.01 . 1 . . . . . . . . 5374 1 128 . 1 1 19 19 ARG HD3 H 1 3.00 0.01 . 1 . . . . . . . . 5374 1 129 . 1 1 19 19 ARG HE H 1 7.12 0.01 . 1 . . . . . . . . 5374 1 130 . 1 1 19 19 ARG HH21 H 1 6.71 0.01 . 1 . . . . . . . . 5374 1 131 . 1 1 19 19 ARG HH22 H 1 6.71 0.01 . 1 . . . . . . . . 5374 1 132 . 1 1 20 20 GLN N N 15 116.7 0.15 . 1 . . . . . . . . 5374 1 133 . 1 1 20 20 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 5374 1 134 . 1 1 20 20 GLN HA H 1 4.06 0.01 . 1 . . . . . . . . 5374 1 135 . 1 1 20 20 GLN HB2 H 1 2.16 0.01 . 1 . . . . . . . . 5374 1 136 . 1 1 20 20 GLN HB3 H 1 2.16 0.01 . 1 . . . . . . . . 5374 1 137 . 1 1 20 20 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5374 1 138 . 1 1 20 20 GLN HG3 H 1 2.47 0.01 . 2 . . . . . . . . 5374 1 139 . 1 1 20 20 GLN HE21 H 1 6.84 0.01 . 2 . . . . . . . . 5374 1 140 . 1 1 20 20 GLN HE22 H 1 7.48 0.01 . 2 . . . . . . . . 5374 1 141 . 1 1 21 21 GLU N N 15 118.6 0.15 . 1 . . . . . . . . 5374 1 142 . 1 1 21 21 GLU H H 1 7.71 0.01 . 1 . . . . . . . . 5374 1 143 . 1 1 21 21 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 5374 1 144 . 1 1 21 21 GLU HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5374 1 145 . 1 1 21 21 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5374 1 146 . 1 1 21 21 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 5374 1 147 . 1 1 21 21 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 5374 1 148 . 1 1 22 22 VAL N N 15 114.5 0.15 . 1 . . . . . . . . 5374 1 149 . 1 1 22 22 VAL H H 1 7.82 0.01 . 1 . . . . . . . . 5374 1 150 . 1 1 22 22 VAL HA H 1 3.70 0.01 . 1 . . . . . . . . 5374 1 151 . 1 1 22 22 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 152 . 1 1 22 22 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 153 . 1 1 22 22 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 154 . 1 1 22 22 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 155 . 1 1 22 22 VAL HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 156 . 1 1 22 22 VAL HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 157 . 1 1 22 22 VAL HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 158 . 1 1 23 23 GLN N N 15 116.7 0.15 . 1 . . . . . . . . 5374 1 159 . 1 1 23 23 GLN H H 1 7.45 0.01 . 1 . . . . . . . . 5374 1 160 . 1 1 23 23 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 5374 1 161 . 1 1 23 23 GLN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5374 1 162 . 1 1 23 23 GLN HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5374 1 163 . 1 1 23 23 GLN HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5374 1 164 . 1 1 23 23 GLN HG3 H 1 2.45 0.01 . 2 . . . . . . . . 5374 1 165 . 1 1 23 23 GLN HE21 H 1 7.20 0.01 . 2 . . . . . . . . 5374 1 166 . 1 1 23 23 GLN HE22 H 1 6.79 0.01 . 2 . . . . . . . . 5374 1 167 . 1 1 24 24 ARG N N 15 115.7 0.15 . 1 . . . . . . . . 5374 1 168 . 1 1 24 24 ARG H H 1 7.52 0.01 . 1 . . . . . . . . 5374 1 169 . 1 1 24 24 ARG HA H 1 4.44 0.01 . 1 . . . . . . . . 5374 1 170 . 1 1 24 24 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5374 1 171 . 1 1 24 24 ARG HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5374 1 172 . 1 1 24 24 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 5374 1 173 . 1 1 24 24 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 5374 1 174 . 1 1 24 24 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 175 . 1 1 24 24 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 176 . 1 1 24 24 ARG HE H 1 7.24 0.01 . 1 . . . . . . . . 5374 1 177 . 1 1 24 24 ARG HH21 H 1 5.97 0.01 . 1 . . . . . . . . 5374 1 178 . 1 1 24 24 ARG HH22 H 1 5.97 0.01 . 1 . . . . . . . . 5374 1 179 . 1 1 25 25 LYS N N 15 119.8 0.15 . 1 . . . . . . . . 5374 1 180 . 1 1 25 25 LYS H H 1 7.46 0.01 . 1 . . . . . . . . 5374 1 181 . 1 1 25 25 LYS HA H 1 4.51 0.01 . 1 . . . . . . . . 5374 1 182 . 1 1 25 25 LYS HB2 H 1 1.73 0.01 . 2 . . . . . . . . 5374 1 183 . 1 1 25 25 LYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 5374 1 184 . 1 1 25 25 LYS HG2 H 1 1.50 0.01 . 2 . . . . . . . . 5374 1 185 . 1 1 25 25 LYS HG3 H 1 1.40 0.01 . 2 . . . . . . . . 5374 1 186 . 1 1 25 25 LYS HD2 H 1 1.69 0.01 . 1 . . . . . . . . 5374 1 187 . 1 1 25 25 LYS HD3 H 1 1.69 0.01 . 1 . . . . . . . . 5374 1 188 . 1 1 25 25 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . 5374 1 189 . 1 1 25 25 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . 5374 1 190 . 1 1 26 26 ASP N N 15 120.4 0.15 . 1 . . . . . . . . 5374 1 191 . 1 1 26 26 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 5374 1 192 . 1 1 26 26 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 5374 1 193 . 1 1 26 26 ASP HB2 H 1 2.73 0.01 . 2 . . . . . . . . 5374 1 194 . 1 1 26 26 ASP HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5374 1 195 . 1 1 27 27 LEU N N 15 128.5 0.15 . 1 . . . . . . . . 5374 1 196 . 1 1 27 27 LEU H H 1 8.55 0.01 . 1 . . . . . . . . 5374 1 197 . 1 1 27 27 LEU HA H 1 4.75 0.01 . 1 . . . . . . . . 5374 1 198 . 1 1 27 27 LEU HB2 H 1 1.63 0.01 . 1 . . . . . . . . 5374 1 199 . 1 1 27 27 LEU HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5374 1 200 . 1 1 27 27 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 5374 1 201 . 1 1 27 27 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 5374 1 202 . 1 1 27 27 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 5374 1 203 . 1 1 27 27 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 5374 1 204 . 1 1 27 27 LEU HD21 H 1 0.89 0.01 . 2 . . . . . . . . 5374 1 205 . 1 1 27 27 LEU HD22 H 1 0.89 0.01 . 2 . . . . . . . . 5374 1 206 . 1 1 27 27 LEU HD23 H 1 0.89 0.01 . 2 . . . . . . . . 5374 1 207 . 1 1 28 28 SER N N 15 118.2 0.15 . 1 . . . . . . . . 5374 1 208 . 1 1 28 28 SER H H 1 8.62 0.01 . 1 . . . . . . . . 5374 1 209 . 1 1 28 28 SER HA H 1 4.71 0.01 . 1 . . . . . . . . 5374 1 210 . 1 1 28 28 SER HB2 H 1 3.95 0.01 . 2 . . . . . . . . 5374 1 211 . 1 1 28 28 SER HB3 H 1 4.12 0.01 . 2 . . . . . . . . 5374 1 212 . 1 1 29 29 SER N N 15 121.7 0.15 . 1 . . . . . . . . 5374 1 213 . 1 1 29 29 SER H H 1 10.15 0.01 . 1 . . . . . . . . 5374 1 214 . 1 1 29 29 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 5374 1 215 . 1 1 29 29 SER HB2 H 1 3.65 0.01 . 2 . . . . . . . . 5374 1 216 . 1 1 29 29 SER HB3 H 1 3.94 0.01 . 2 . . . . . . . . 5374 1 217 . 1 1 30 30 CYS N N 15 119.9 0.15 . 1 . . . . . . . . 5374 1 218 . 1 1 30 30 CYS H H 1 7.48 0.01 . 1 . . . . . . . . 5374 1 219 . 1 1 30 30 CYS HA H 1 4.50 0.01 . 1 . . . . . . . . 5374 1 220 . 1 1 30 30 CYS HB2 H 1 3.00 0.01 . 2 . . . . . . . . 5374 1 221 . 1 1 30 30 CYS HB3 H 1 3.21 0.01 . 2 . . . . . . . . 5374 1 222 . 1 1 31 31 GLU N N 15 119.1 0.15 . 1 . . . . . . . . 5374 1 223 . 1 1 31 31 GLU H H 1 8.13 0.01 . 1 . . . . . . . . 5374 1 224 . 1 1 31 31 GLU HA H 1 3.80 0.01 . 1 . . . . . . . . 5374 1 225 . 1 1 31 31 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5374 1 226 . 1 1 31 31 GLU HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5374 1 227 . 1 1 31 31 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 228 . 1 1 31 31 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 229 . 1 1 32 32 ARG N N 15 117.6 0.15 . 1 . . . . . . . . 5374 1 230 . 1 1 32 32 ARG H H 1 7.99 0.01 . 1 . . . . . . . . 5374 1 231 . 1 1 32 32 ARG HA H 1 3.94 0.01 . 1 . . . . . . . . 5374 1 232 . 1 1 32 32 ARG HB2 H 1 1.89 0.01 . 2 . . . . . . . . 5374 1 233 . 1 1 32 32 ARG HB3 H 1 1.94 0.01 . 2 . . . . . . . . 5374 1 234 . 1 1 32 32 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5374 1 235 . 1 1 32 32 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5374 1 236 . 1 1 32 32 ARG HD2 H 1 3.16 0.01 . 2 . . . . . . . . 5374 1 237 . 1 1 32 32 ARG HD3 H 1 3.27 0.01 . 2 . . . . . . . . 5374 1 238 . 1 1 32 32 ARG HE H 1 7.27 0.01 . 1 . . . . . . . . 5374 1 239 . 1 1 32 32 ARG HH21 H 1 6.69 0.01 . 1 . . . . . . . . 5374 1 240 . 1 1 32 32 ARG HH22 H 1 6.69 0.01 . 1 . . . . . . . . 5374 1 241 . 1 1 33 33 TYR N N 15 120.1 0.15 . 1 . . . . . . . . 5374 1 242 . 1 1 33 33 TYR H H 1 7.87 0.01 . 1 . . . . . . . . 5374 1 243 . 1 1 33 33 TYR HA H 1 4.16 0.01 . 1 . . . . . . . . 5374 1 244 . 1 1 33 33 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 5374 1 245 . 1 1 33 33 TYR HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5374 1 246 . 1 1 33 33 TYR HD1 H 1 6.93 0.01 . 1 . . . . . . . . 5374 1 247 . 1 1 33 33 TYR HD2 H 1 6.93 0.01 . 1 . . . . . . . . 5374 1 248 . 1 1 33 33 TYR HE1 H 1 6.92 0.01 . 1 . . . . . . . . 5374 1 249 . 1 1 33 33 TYR HE2 H 1 6.92 0.01 . 1 . . . . . . . . 5374 1 250 . 1 1 34 34 LEU N N 15 116.4 0.15 . 1 . . . . . . . . 5374 1 251 . 1 1 34 34 LEU H H 1 7.95 0.01 . 1 . . . . . . . . 5374 1 252 . 1 1 34 34 LEU HA H 1 3.83 0.01 . 1 . . . . . . . . 5374 1 253 . 1 1 34 34 LEU HB2 H 1 2.09 0.01 . 1 . . . . . . . . 5374 1 254 . 1 1 34 34 LEU HB3 H 1 2.09 0.01 . 1 . . . . . . . . 5374 1 255 . 1 1 34 34 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 5374 1 256 . 1 1 34 34 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 257 . 1 1 34 34 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 258 . 1 1 34 34 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 259 . 1 1 34 34 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 260 . 1 1 34 34 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 261 . 1 1 34 34 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 262 . 1 1 35 35 ARG N N 15 115.8 0.15 . 1 . . . . . . . . 5374 1 263 . 1 1 35 35 ARG H H 1 7.42 0.01 . 1 . . . . . . . . 5374 1 264 . 1 1 35 35 ARG HA H 1 4.21 0.01 . 1 . . . . . . . . 5374 1 265 . 1 1 35 35 ARG HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5374 1 266 . 1 1 35 35 ARG HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5374 1 267 . 1 1 35 35 ARG HG2 H 1 1.62 0.01 . 1 . . . . . . . . 5374 1 268 . 1 1 35 35 ARG HG3 H 1 1.62 0.01 . 1 . . . . . . . . 5374 1 269 . 1 1 35 35 ARG HD2 H 1 3.14 0.01 . 1 . . . . . . . . 5374 1 270 . 1 1 35 35 ARG HD3 H 1 3.14 0.01 . 1 . . . . . . . . 5374 1 271 . 1 1 35 35 ARG HE H 1 7.30 0.01 . 1 . . . . . . . . 5374 1 272 . 1 1 35 35 ARG HH21 H 1 6.82 0.01 . 1 . . . . . . . . 5374 1 273 . 1 1 35 35 ARG HH22 H 1 6.82 0.01 . 1 . . . . . . . . 5374 1 274 . 1 1 36 36 GLN N N 15 119.6 0.15 . 1 . . . . . . . . 5374 1 275 . 1 1 36 36 GLN H H 1 7.60 0.01 . 1 . . . . . . . . 5374 1 276 . 1 1 36 36 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 5374 1 277 . 1 1 36 36 GLN HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5374 1 278 . 1 1 36 36 GLN HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5374 1 279 . 1 1 36 36 GLN HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5374 1 280 . 1 1 36 36 GLN HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5374 1 281 . 1 1 36 36 GLN HE21 H 1 6.67 0.01 . 2 . . . . . . . . 5374 1 282 . 1 1 36 36 GLN HE22 H 1 7.43 0.01 . 2 . . . . . . . . 5374 1 283 . 1 1 37 37 SER N N 15 116.8 0.15 . 1 . . . . . . . . 5374 1 284 . 1 1 37 37 SER H H 1 8.28 0.01 . 1 . . . . . . . . 5374 1 285 . 1 1 37 37 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 5374 1 286 . 1 1 37 37 SER HB2 H 1 3.79 0.01 . 2 . . . . . . . . 5374 1 287 . 1 1 37 37 SER HB3 H 1 3.85 0.01 . 2 . . . . . . . . 5374 1 288 . 1 1 38 38 SER N N 15 117.3 0.15 . 1 . . . . . . . . 5374 1 289 . 1 1 38 38 SER H H 1 8.28 0.01 . 1 . . . . . . . . 5374 1 290 . 1 1 38 38 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5374 1 291 . 1 1 38 38 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 5374 1 292 . 1 1 38 38 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 5374 1 293 . 1 1 39 39 SER H H 1 8.32 0.01 . 1 . . . . . . . . 5374 1 294 . 1 1 39 39 SER HA H 1 4.50 0.01 . 1 . . . . . . . . 5374 1 295 . 1 1 39 39 SER HB2 H 1 3.88 0.01 . 1 . . . . . . . . 5374 1 296 . 1 1 39 39 SER HB3 H 1 3.88 0.01 . 1 . . . . . . . . 5374 1 297 . 1 1 40 40 ARG N N 15 123.0 0.15 . 1 . . . . . . . . 5374 1 298 . 1 1 40 40 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 5374 1 299 . 1 1 40 40 ARG HA H 1 4.39 0.01 . 1 . . . . . . . . 5374 1 300 . 1 1 40 40 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5374 1 301 . 1 1 40 40 ARG HB3 H 1 1.87 0.01 . 2 . . . . . . . . 5374 1 302 . 1 1 40 40 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5374 1 303 . 1 1 40 40 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5374 1 304 . 1 1 40 40 ARG HD2 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 305 . 1 1 40 40 ARG HD3 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 306 . 1 1 41 41 ARG N N 15 122.5 0.15 . 1 . . . . . . . . 5374 1 307 . 1 1 41 41 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 5374 1 308 . 1 1 41 41 ARG HA H 1 4.40 0.01 . 1 . . . . . . . . 5374 1 309 . 1 1 41 41 ARG HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5374 1 310 . 1 1 41 41 ARG HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5374 1 311 . 1 1 41 41 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 312 . 1 1 41 41 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 313 . 1 1 41 41 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 314 . 1 1 41 41 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 315 . 1 1 41 41 ARG HE H 1 7.20 0.01 . 1 . . . . . . . . 5374 1 316 . 1 1 42 42 SER N N 15 117.5 0.15 . 1 . . . . . . . . 5374 1 317 . 1 1 42 42 SER H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 318 . 1 1 42 42 SER HA H 1 4.56 0.01 . 1 . . . . . . . . 5374 1 319 . 1 1 42 42 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 5374 1 320 . 1 1 42 42 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 5374 1 321 . 1 1 43 43 THR N N 15 115.1 0.15 . 1 . . . . . . . . 5374 1 322 . 1 1 43 43 THR H H 1 8.17 0.01 . 1 . . . . . . . . 5374 1 323 . 1 1 43 43 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 5374 1 324 . 1 1 43 43 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 5374 1 325 . 1 1 43 43 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5374 1 326 . 1 1 43 43 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5374 1 327 . 1 1 43 43 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5374 1 328 . 1 1 44 44 GLY N N 15 110.9 0.15 . 1 . . . . . . . . 5374 1 329 . 1 1 44 44 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 5374 1 330 . 1 1 44 44 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 5374 1 331 . 1 1 44 44 GLY HA3 H 1 4.06 0.01 . 2 . . . . . . . . 5374 1 332 . 1 1 45 45 GLU N N 15 119.8 0.15 . 1 . . . . . . . . 5374 1 333 . 1 1 45 45 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5374 1 334 . 1 1 45 45 GLU HA H 1 4.36 0.01 . 1 . . . . . . . . 5374 1 335 . 1 1 45 45 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5374 1 336 . 1 1 45 45 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 5374 1 337 . 1 1 45 45 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 338 . 1 1 45 45 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5374 1 339 . 1 1 46 46 GLU N N 15 121.3 0.15 . 1 . . . . . . . . 5374 1 340 . 1 1 46 46 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 341 . 1 1 46 46 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 5374 1 342 . 1 1 46 46 GLU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 5374 1 343 . 1 1 46 46 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5374 1 344 . 1 1 46 46 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5374 1 345 . 1 1 46 46 GLU HG3 H 1 2.43 0.01 . 1 . . . . . . . . 5374 1 346 . 1 1 47 47 VAL N N 15 120.9 0.15 . 1 . . . . . . . . 5374 1 347 . 1 1 47 47 VAL H H 1 8.05 0.01 . 1 . . . . . . . . 5374 1 348 . 1 1 47 47 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5374 1 349 . 1 1 47 47 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 5374 1 350 . 1 1 47 47 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 351 . 1 1 47 47 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 352 . 1 1 47 47 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 353 . 1 1 47 47 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 354 . 1 1 47 47 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 355 . 1 1 47 47 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 356 . 1 1 48 48 LEU N N 15 125.0 0.15 . 1 . . . . . . . . 5374 1 357 . 1 1 48 48 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 5374 1 358 . 1 1 48 48 LEU HA H 1 4.37 0.01 . 1 . . . . . . . . 5374 1 359 . 1 1 48 48 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 5374 1 360 . 1 1 48 48 LEU HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5374 1 361 . 1 1 48 48 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5374 1 362 . 1 1 48 48 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 5374 1 363 . 1 1 48 48 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 5374 1 364 . 1 1 48 48 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 5374 1 365 . 1 1 48 48 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 366 . 1 1 48 48 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 367 . 1 1 48 48 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 5374 1 368 . 1 1 49 49 ARG N N 15 121.6 0.15 . 1 . . . . . . . . 5374 1 369 . 1 1 49 49 ARG H H 1 8.21 0.01 . 1 . . . . . . . . 5374 1 370 . 1 1 49 49 ARG HA H 1 4.36 0.01 . 1 . . . . . . . . 5374 1 371 . 1 1 49 49 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5374 1 372 . 1 1 49 49 ARG HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5374 1 373 . 1 1 49 49 ARG HG2 H 1 1.62 0.01 . 1 . . . . . . . . 5374 1 374 . 1 1 49 49 ARG HG3 H 1 1.62 0.01 . 1 . . . . . . . . 5374 1 375 . 1 1 49 49 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 376 . 1 1 49 49 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 377 . 1 1 49 49 ARG HE H 1 7.23 0.01 . 1 . . . . . . . . 5374 1 378 . 1 1 50 50 MET N N 15 122.5 0.15 . 1 . . . . . . . . 5374 1 379 . 1 1 50 50 MET H H 1 8.27 0.01 . 1 . . . . . . . . 5374 1 380 . 1 1 50 50 MET HA H 1 4.83 0.01 . 1 . . . . . . . . 5374 1 381 . 1 1 50 50 MET HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5374 1 382 . 1 1 50 50 MET HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5374 1 383 . 1 1 50 50 MET HG2 H 1 2.55 0.01 . 2 . . . . . . . . 5374 1 384 . 1 1 50 50 MET HG3 H 1 2.64 0.01 . 2 . . . . . . . . 5374 1 385 . 1 1 51 51 PRO HA H 1 4.42 0.01 . 1 . . . . . . . . 5374 1 386 . 1 1 51 51 PRO HB2 H 1 2.32 0.01 . 1 . . . . . . . . 5374 1 387 . 1 1 51 51 PRO HB3 H 1 2.32 0.01 . 1 . . . . . . . . 5374 1 388 . 1 1 51 51 PRO HG2 H 1 1.95 0.01 . 1 . . . . . . . . 5374 1 389 . 1 1 51 51 PRO HG3 H 1 1.95 0.01 . 1 . . . . . . . . 5374 1 390 . 1 1 51 51 PRO HD2 H 1 3.70 0.01 . 2 . . . . . . . . 5374 1 391 . 1 1 51 51 PRO HD3 H 1 3.84 0.01 . 2 . . . . . . . . 5374 1 392 . 1 1 52 52 GLY N N 15 109.4 0.15 . 1 . . . . . . . . 5374 1 393 . 1 1 52 52 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 5374 1 394 . 1 1 52 52 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 5374 1 395 . 1 1 52 52 GLY HA3 H 1 4.03 0.01 . 2 . . . . . . . . 5374 1 396 . 1 1 53 53 ASP N N 15 119.5 0.15 . 1 . . . . . . . . 5374 1 397 . 1 1 53 53 ASP H H 1 8.15 0.01 . 1 . . . . . . . . 5374 1 398 . 1 1 53 53 ASP HA H 1 4.71 0.01 . 1 . . . . . . . . 5374 1 399 . 1 1 53 53 ASP HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5374 1 400 . 1 1 53 53 ASP HB3 H 1 2.84 0.01 . 1 . . . . . . . . 5374 1 401 . 1 1 54 54 GLU N N 15 120.7 0.15 . 1 . . . . . . . . 5374 1 402 . 1 1 54 54 GLU H H 1 8.40 0.01 . 1 . . . . . . . . 5374 1 403 . 1 1 54 54 GLU HA H 1 4.33 0.01 . 1 . . . . . . . . 5374 1 404 . 1 1 54 54 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5374 1 405 . 1 1 54 54 GLU HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5374 1 406 . 1 1 54 54 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5374 1 407 . 1 1 54 54 GLU HG3 H 1 2.53 0.01 . 2 . . . . . . . . 5374 1 408 . 1 1 55 55 ASN N N 15 119.1 0.15 . 1 . . . . . . . . 5374 1 409 . 1 1 55 55 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 410 . 1 1 55 55 ASN HA H 1 4.70 0.01 . 1 . . . . . . . . 5374 1 411 . 1 1 55 55 ASN HB2 H 1 2.89 0.01 . 1 . . . . . . . . 5374 1 412 . 1 1 55 55 ASN HB3 H 1 2.89 0.01 . 1 . . . . . . . . 5374 1 413 . 1 1 55 55 ASN HD21 H 1 6.94 0.01 . 2 . . . . . . . . 5374 1 414 . 1 1 55 55 ASN HD22 H 1 7.62 0.01 . 2 . . . . . . . . 5374 1 415 . 1 1 56 56 GLN N N 15 120.4 0.15 . 1 . . . . . . . . 5374 1 416 . 1 1 56 56 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 5374 1 417 . 1 1 56 56 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 418 . 1 1 56 56 GLN HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5374 1 419 . 1 1 56 56 GLN HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5374 1 420 . 1 1 56 56 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5374 1 421 . 1 1 56 56 GLN HG3 H 1 2.53 0.01 . 2 . . . . . . . . 5374 1 422 . 1 1 56 56 GLN HE21 H 1 6.86 0.01 . 2 . . . . . . . . 5374 1 423 . 1 1 56 56 GLN HE22 H 1 7.59 0.01 . 2 . . . . . . . . 5374 1 424 . 1 1 57 57 GLN N N 15 121.0 0.15 . 1 . . . . . . . . 5374 1 425 . 1 1 57 57 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 5374 1 426 . 1 1 57 57 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 5374 1 427 . 1 1 57 57 GLN HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5374 1 428 . 1 1 57 57 GLN HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5374 1 429 . 1 1 57 57 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 5374 1 430 . 1 1 57 57 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 5374 1 431 . 1 1 58 58 GLN N N 15 120.4 0.15 . 1 . . . . . . . . 5374 1 432 . 1 1 58 58 GLN H H 1 8.36 0.01 . 1 . . . . . . . . 5374 1 433 . 1 1 58 58 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 434 . 1 1 58 58 GLN HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 435 . 1 1 58 58 GLN HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 436 . 1 1 58 58 GLN HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5374 1 437 . 1 1 58 58 GLN HE21 H 1 6.85 0.01 . 2 . . . . . . . . 5374 1 438 . 1 1 58 58 GLN HE22 H 1 7.48 0.01 . 2 . . . . . . . . 5374 1 439 . 1 1 59 59 GLU N N 15 120.1 0.15 . 1 . . . . . . . . 5374 1 440 . 1 1 59 59 GLU H H 1 8.30 0.01 . 1 . . . . . . . . 5374 1 441 . 1 1 59 59 GLU HA H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 442 . 1 1 59 59 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 443 . 1 1 59 59 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 444 . 1 1 59 59 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5374 1 445 . 1 1 59 59 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 5374 1 446 . 1 1 60 60 SER N N 15 115.4 0.15 . 1 . . . . . . . . 5374 1 447 . 1 1 60 60 SER H H 1 8.30 0.01 . 1 . . . . . . . . 5374 1 448 . 1 1 60 60 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 5374 1 449 . 1 1 60 60 SER HB2 H 1 4.07 0.01 . 1 . . . . . . . . 5374 1 450 . 1 1 60 60 SER HB3 H 1 4.07 0.01 . 1 . . . . . . . . 5374 1 451 . 1 1 61 61 GLN N N 15 122.5 0.15 . 1 . . . . . . . . 5374 1 452 . 1 1 61 61 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 5374 1 453 . 1 1 61 61 GLN HA H 1 4.17 0.01 . 1 . . . . . . . . 5374 1 454 . 1 1 61 61 GLN HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 455 . 1 1 61 61 GLN HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 456 . 1 1 61 61 GLN HG2 H 1 2.41 0.01 . 2 . . . . . . . . 5374 1 457 . 1 1 61 61 GLN HG3 H 1 2.51 0.01 . 2 . . . . . . . . 5374 1 458 . 1 1 61 61 GLN NE2 N 15 111.5 0.15 . 1 . . . . . . . . 5374 1 459 . 1 1 61 61 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 5374 1 460 . 1 1 61 61 GLN HE22 H 1 7.44 0.01 . 2 . . . . . . . . 5374 1 461 . 1 1 62 62 GLN N N 15 119.4 0.15 . 1 . . . . . . . . 5374 1 462 . 1 1 62 62 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 5374 1 463 . 1 1 62 62 GLN HA H 1 4.03 0.01 . 1 . . . . . . . . 5374 1 464 . 1 1 62 62 GLN HB2 H 1 2.34 0.01 . 1 . . . . . . . . 5374 1 465 . 1 1 62 62 GLN HB3 H 1 2.34 0.01 . 1 . . . . . . . . 5374 1 466 . 1 1 62 62 GLN HG2 H 1 2.51 0.01 . 1 . . . . . . . . 5374 1 467 . 1 1 62 62 GLN HG3 H 1 2.51 0.01 . 1 . . . . . . . . 5374 1 468 . 1 1 62 62 GLN NE2 N 15 110.9 0.15 . 1 . . . . . . . . 5374 1 469 . 1 1 62 62 GLN HE21 H 1 7.05 0.01 . 2 . . . . . . . . 5374 1 470 . 1 1 62 62 GLN HE22 H 1 7.17 0.01 . 2 . . . . . . . . 5374 1 471 . 1 1 63 63 LEU N N 15 120.7 0.15 . 1 . . . . . . . . 5374 1 472 . 1 1 63 63 LEU H H 1 8.10 0.01 . 1 . . . . . . . . 5374 1 473 . 1 1 63 63 LEU HA H 1 3.45 0.01 . 1 . . . . . . . . 5374 1 474 . 1 1 63 63 LEU HB2 H 1 1.23 0.01 . 2 . . . . . . . . 5374 1 475 . 1 1 63 63 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5374 1 476 . 1 1 63 63 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 5374 1 477 . 1 1 63 63 LEU HD11 H 1 0.22 0.01 . 2 . . . . . . . . 5374 1 478 . 1 1 63 63 LEU HD12 H 1 0.22 0.01 . 2 . . . . . . . . 5374 1 479 . 1 1 63 63 LEU HD13 H 1 0.22 0.01 . 2 . . . . . . . . 5374 1 480 . 1 1 63 63 LEU HD21 H 1 0.68 0.01 . 2 . . . . . . . . 5374 1 481 . 1 1 63 63 LEU HD22 H 1 0.68 0.01 . 2 . . . . . . . . 5374 1 482 . 1 1 63 63 LEU HD23 H 1 0.68 0.01 . 2 . . . . . . . . 5374 1 483 . 1 1 64 64 GLN N N 15 117.4 0.15 . 1 . . . . . . . . 5374 1 484 . 1 1 64 64 GLN H H 1 7.89 0.01 . 1 . . . . . . . . 5374 1 485 . 1 1 64 64 GLN HA H 1 3.85 0.01 . 1 . . . . . . . . 5374 1 486 . 1 1 64 64 GLN HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5374 1 487 . 1 1 64 64 GLN HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5374 1 488 . 1 1 64 64 GLN HG2 H 1 2.39 0.01 . 1 . . . . . . . . 5374 1 489 . 1 1 64 64 GLN HG3 H 1 2.39 0.01 . 1 . . . . . . . . 5374 1 490 . 1 1 64 64 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 5374 1 491 . 1 1 65 65 GLN N N 15 118.3 0.15 . 1 . . . . . . . . 5374 1 492 . 1 1 65 65 GLN H H 1 8.08 0.01 . 1 . . . . . . . . 5374 1 493 . 1 1 65 65 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 5374 1 494 . 1 1 65 65 GLN HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5374 1 495 . 1 1 65 65 GLN HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5374 1 496 . 1 1 65 65 GLN HG2 H 1 2.46 0.01 . 2 . . . . . . . . 5374 1 497 . 1 1 65 65 GLN HG3 H 1 2.57 0.01 . 2 . . . . . . . . 5374 1 498 . 1 1 65 65 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 5374 1 499 . 1 1 65 65 GLN HE22 H 1 7.33 0.01 . 2 . . . . . . . . 5374 1 500 . 1 1 66 66 CYS N N 15 118.6 0.15 . 1 . . . . . . . . 5374 1 501 . 1 1 66 66 CYS H H 1 8.15 0.01 . 1 . . . . . . . . 5374 1 502 . 1 1 66 66 CYS HA H 1 4.53 0.01 . 1 . . . . . . . . 5374 1 503 . 1 1 66 66 CYS HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5374 1 504 . 1 1 66 66 CYS HB3 H 1 3.30 0.01 . 2 . . . . . . . . 5374 1 505 . 1 1 67 67 CYS N N 15 118.1 0.15 . 1 . . . . . . . . 5374 1 506 . 1 1 67 67 CYS H H 1 8.96 0.01 . 1 . . . . . . . . 5374 1 507 . 1 1 67 67 CYS HA H 1 4.44 0.01 . 1 . . . . . . . . 5374 1 508 . 1 1 67 67 CYS HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5374 1 509 . 1 1 67 67 CYS HB3 H 1 3.18 0.01 . 2 . . . . . . . . 5374 1 510 . 1 1 68 68 ASN N N 15 118.2 0.15 . 1 . . . . . . . . 5374 1 511 . 1 1 68 68 ASN H H 1 7.85 0.01 . 1 . . . . . . . . 5374 1 512 . 1 1 68 68 ASN HA H 1 4.43 0.01 . 1 . . . . . . . . 5374 1 513 . 1 1 68 68 ASN HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5374 1 514 . 1 1 68 68 ASN HB3 H 1 2.99 0.01 . 2 . . . . . . . . 5374 1 515 . 1 1 68 68 ASN HD21 H 1 6.95 0.01 . 2 . . . . . . . . 5374 1 516 . 1 1 68 68 ASN HD22 H 1 7.53 0.01 . 2 . . . . . . . . 5374 1 517 . 1 1 69 69 GLN N N 15 120.0 0.15 . 1 . . . . . . . . 5374 1 518 . 1 1 69 69 GLN H H 1 8.02 0.01 . 1 . . . . . . . . 5374 1 519 . 1 1 69 69 GLN HA H 1 4.21 0.01 . 1 . . . . . . . . 5374 1 520 . 1 1 69 69 GLN HB2 H 1 2.52 0.01 . 2 . . . . . . . . 5374 1 521 . 1 1 69 69 GLN HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5374 1 522 . 1 1 69 69 GLN HG2 H 1 2.76 0.01 . 1 . . . . . . . . 5374 1 523 . 1 1 69 69 GLN HG3 H 1 2.76 0.01 . 1 . . . . . . . . 5374 1 524 . 1 1 69 69 GLN HE22 H 1 7.43 0.01 . 2 . . . . . . . . 5374 1 525 . 1 1 70 70 VAL N N 15 121.9 0.15 . 1 . . . . . . . . 5374 1 526 . 1 1 70 70 VAL H H 1 9.13 0.01 . 1 . . . . . . . . 5374 1 527 . 1 1 70 70 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 5374 1 528 . 1 1 70 70 VAL HB H 1 2.16 0.01 . 1 . . . . . . . . 5374 1 529 . 1 1 70 70 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 5374 1 530 . 1 1 70 70 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 5374 1 531 . 1 1 70 70 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 5374 1 532 . 1 1 70 70 VAL HG21 H 1 1.01 0.01 . 2 . . . . . . . . 5374 1 533 . 1 1 70 70 VAL HG22 H 1 1.01 0.01 . 2 . . . . . . . . 5374 1 534 . 1 1 70 70 VAL HG23 H 1 1.01 0.01 . 2 . . . . . . . . 5374 1 535 . 1 1 71 71 LYS N N 15 117.1 0.15 . 1 . . . . . . . . 5374 1 536 . 1 1 71 71 LYS H H 1 7.62 0.01 . 1 . . . . . . . . 5374 1 537 . 1 1 71 71 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 5374 1 538 . 1 1 71 71 LYS HB2 H 1 1.70 0.01 . 2 . . . . . . . . 5374 1 539 . 1 1 71 71 LYS HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5374 1 540 . 1 1 71 71 LYS HG2 H 1 1.69 0.01 . 2 . . . . . . . . 5374 1 541 . 1 1 71 71 LYS HG3 H 1 1.63 0.01 . 2 . . . . . . . . 5374 1 542 . 1 1 71 71 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5374 1 543 . 1 1 71 71 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5374 1 544 . 1 1 72 72 GLN N N 15 114.5 0.15 . 1 . . . . . . . . 5374 1 545 . 1 1 72 72 GLN H H 1 7.32 0.01 . 1 . . . . . . . . 5374 1 546 . 1 1 72 72 GLN HA H 1 4.27 0.01 . 1 . . . . . . . . 5374 1 547 . 1 1 72 72 GLN HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5374 1 548 . 1 1 72 72 GLN HB3 H 1 2.43 0.01 . 2 . . . . . . . . 5374 1 549 . 1 1 72 72 GLN HG2 H 1 2.55 0.01 . 2 . . . . . . . . 5374 1 550 . 1 1 72 72 GLN HG3 H 1 2.64 0.01 . 2 . . . . . . . . 5374 1 551 . 1 1 72 72 GLN HE21 H 1 7.26 0.01 . 2 . . . . . . . . 5374 1 552 . 1 1 72 72 GLN HE22 H 1 7.33 0.01 . 2 . . . . . . . . 5374 1 553 . 1 1 73 73 VAL N N 15 122.8 0.15 . 1 . . . . . . . . 5374 1 554 . 1 1 73 73 VAL H H 1 7.82 0.01 . 1 . . . . . . . . 5374 1 555 . 1 1 73 73 VAL HA H 1 3.91 0.01 . 1 . . . . . . . . 5374 1 556 . 1 1 73 73 VAL HB H 1 2.48 0.01 . 1 . . . . . . . . 5374 1 557 . 1 1 73 73 VAL HG11 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 558 . 1 1 73 73 VAL HG12 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 559 . 1 1 73 73 VAL HG13 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 560 . 1 1 73 73 VAL HG21 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 561 . 1 1 73 73 VAL HG22 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 562 . 1 1 73 73 VAL HG23 H 1 0.98 0.01 . 1 . . . . . . . . 5374 1 563 . 1 1 74 74 ARG N N 15 128.0 0.15 . 1 . . . . . . . . 5374 1 564 . 1 1 74 74 ARG H H 1 8.92 0.01 . 1 . . . . . . . . 5374 1 565 . 1 1 74 74 ARG HA H 1 4.14 0.01 . 1 . . . . . . . . 5374 1 566 . 1 1 74 74 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 567 . 1 1 74 74 ARG HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 568 . 1 1 74 74 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 5374 1 569 . 1 1 74 74 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 5374 1 570 . 1 1 74 74 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5374 1 571 . 1 1 74 74 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 5374 1 572 . 1 1 74 74 ARG HE H 1 7.65 0.01 . 1 . . . . . . . . 5374 1 573 . 1 1 75 75 ASP N N 15 124.1 0.15 . 1 . . . . . . . . 5374 1 574 . 1 1 75 75 ASP H H 1 8.79 0.01 . 1 . . . . . . . . 5374 1 575 . 1 1 75 75 ASP HA H 1 4.14 0.01 . 1 . . . . . . . . 5374 1 576 . 1 1 75 75 ASP HB2 H 1 2.83 0.01 . 1 . . . . . . . . 5374 1 577 . 1 1 75 75 ASP HB3 H 1 2.83 0.01 . 1 . . . . . . . . 5374 1 578 . 1 1 76 76 GLU N N 15 117.1 0.15 . 1 . . . . . . . . 5374 1 579 . 1 1 76 76 GLU H H 1 9.61 0.01 . 1 . . . . . . . . 5374 1 580 . 1 1 76 76 GLU HA H 1 4.33 0.01 . 1 . . . . . . . . 5374 1 581 . 1 1 76 76 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 582 . 1 1 76 76 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 583 . 1 1 76 76 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 584 . 1 1 76 76 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5374 1 585 . 1 1 77 77 CYS N N 15 115.5 0.15 . 1 . . . . . . . . 5374 1 586 . 1 1 77 77 CYS H H 1 8.51 0.01 . 1 . . . . . . . . 5374 1 587 . 1 1 77 77 CYS HA H 1 5.21 0.01 . 1 . . . . . . . . 5374 1 588 . 1 1 77 77 CYS HB2 H 1 2.53 0.01 . 2 . . . . . . . . 5374 1 589 . 1 1 77 77 CYS HB3 H 1 3.17 0.01 . 2 . . . . . . . . 5374 1 590 . 1 1 78 78 GLN N N 15 122.8 0.15 . 1 . . . . . . . . 5374 1 591 . 1 1 78 78 GLN H H 1 7.51 0.01 . 1 . . . . . . . . 5374 1 592 . 1 1 78 78 GLN HA H 1 3.61 0.01 . 1 . . . . . . . . 5374 1 593 . 1 1 78 78 GLN HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 594 . 1 1 78 78 GLN HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 595 . 1 1 78 78 GLN HG2 H 1 2.23 0.01 . 1 . . . . . . . . 5374 1 596 . 1 1 78 78 GLN HG3 H 1 2.23 0.01 . 1 . . . . . . . . 5374 1 597 . 1 1 78 78 GLN HE21 H 1 7.08 0.01 . 2 . . . . . . . . 5374 1 598 . 1 1 78 78 GLN HE22 H 1 7.03 0.01 . 2 . . . . . . . . 5374 1 599 . 1 1 79 79 CYS N N 15 118.0 0.15 . 1 . . . . . . . . 5374 1 600 . 1 1 79 79 CYS H H 1 8.82 0.01 . 1 . . . . . . . . 5374 1 601 . 1 1 79 79 CYS HA H 1 3.93 0.01 . 1 . . . . . . . . 5374 1 602 . 1 1 79 79 CYS HB2 H 1 3.05 0.01 . 2 . . . . . . . . 5374 1 603 . 1 1 79 79 CYS HB3 H 1 3.72 0.01 . 2 . . . . . . . . 5374 1 604 . 1 1 80 80 GLU N N 15 118.8 0.15 . 1 . . . . . . . . 5374 1 605 . 1 1 80 80 GLU H H 1 8.26 0.01 . 1 . . . . . . . . 5374 1 606 . 1 1 80 80 GLU HA H 1 3.85 0.01 . 1 . . . . . . . . 5374 1 607 . 1 1 80 80 GLU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5374 1 608 . 1 1 80 80 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5374 1 609 . 1 1 80 80 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5374 1 610 . 1 1 80 80 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5374 1 611 . 1 1 81 81 ALA N N 15 120.4 0.15 . 1 . . . . . . . . 5374 1 612 . 1 1 81 81 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 5374 1 613 . 1 1 81 81 ALA HA H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 614 . 1 1 81 81 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 5374 1 615 . 1 1 81 81 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5374 1 616 . 1 1 81 81 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5374 1 617 . 1 1 82 82 ILE N N 15 115.3 0.15 . 1 . . . . . . . . 5374 1 618 . 1 1 82 82 ILE H H 1 7.26 0.01 . 1 . . . . . . . . 5374 1 619 . 1 1 82 82 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 5374 1 620 . 1 1 82 82 ILE HB H 1 2.05 0.01 . 1 . . . . . . . . 5374 1 621 . 1 1 82 82 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5374 1 622 . 1 1 82 82 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5374 1 623 . 1 1 82 82 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5374 1 624 . 1 1 82 82 ILE HG12 H 1 1.61 0.01 . 1 . . . . . . . . 5374 1 625 . 1 1 82 82 ILE HG13 H 1 1.61 0.01 . 1 . . . . . . . . 5374 1 626 . 1 1 82 82 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5374 1 627 . 1 1 82 82 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5374 1 628 . 1 1 82 82 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5374 1 629 . 1 1 83 83 LYS N N 15 119.7 0.15 . 1 . . . . . . . . 5374 1 630 . 1 1 83 83 LYS H H 1 7.81 0.01 . 1 . . . . . . . . 5374 1 631 . 1 1 83 83 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 5374 1 632 . 1 1 83 83 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 633 . 1 1 83 83 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5374 1 634 . 1 1 83 83 LYS HG2 H 1 1.33 0.01 . 1 . . . . . . . . 5374 1 635 . 1 1 83 83 LYS HG3 H 1 1.33 0.01 . 1 . . . . . . . . 5374 1 636 . 1 1 83 83 LYS HD2 H 1 1.57 0.01 . 1 . . . . . . . . 5374 1 637 . 1 1 83 83 LYS HD3 H 1 1.57 0.01 . 1 . . . . . . . . 5374 1 638 . 1 1 83 83 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5374 1 639 . 1 1 83 83 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5374 1 640 . 1 1 84 84 TYR N N 15 118.8 0.15 . 1 . . . . . . . . 5374 1 641 . 1 1 84 84 TYR H H 1 8.72 0.01 . 1 . . . . . . . . 5374 1 642 . 1 1 84 84 TYR HA H 1 4.32 0.01 . 1 . . . . . . . . 5374 1 643 . 1 1 84 84 TYR HB2 H 1 3.18 0.01 . 1 . . . . . . . . 5374 1 644 . 1 1 84 84 TYR HB3 H 1 3.18 0.01 . 1 . . . . . . . . 5374 1 645 . 1 1 84 84 TYR HD1 H 1 6.99 0.01 . 1 . . . . . . . . 5374 1 646 . 1 1 84 84 TYR HD2 H 1 6.99 0.01 . 1 . . . . . . . . 5374 1 647 . 1 1 84 84 TYR HE1 H 1 6.71 0.01 . 1 . . . . . . . . 5374 1 648 . 1 1 84 84 TYR HE2 H 1 6.71 0.01 . 1 . . . . . . . . 5374 1 649 . 1 1 85 85 ILE N N 15 115.2 0.15 . 1 . . . . . . . . 5374 1 650 . 1 1 85 85 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 5374 1 651 . 1 1 85 85 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 652 . 1 1 85 85 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5374 1 653 . 1 1 85 85 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 654 . 1 1 85 85 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 655 . 1 1 85 85 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5374 1 656 . 1 1 85 85 ILE HG12 H 1 1.07 0.01 . 2 . . . . . . . . 5374 1 657 . 1 1 85 85 ILE HG13 H 1 1.52 0.01 . 2 . . . . . . . . 5374 1 658 . 1 1 85 85 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5374 1 659 . 1 1 85 85 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5374 1 660 . 1 1 85 85 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5374 1 661 . 1 1 86 86 ALA N N 15 125.2 0.15 . 1 . . . . . . . . 5374 1 662 . 1 1 86 86 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 5374 1 663 . 1 1 86 86 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 5374 1 664 . 1 1 86 86 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 5374 1 665 . 1 1 86 86 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 5374 1 666 . 1 1 86 86 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 5374 1 667 . 1 1 87 87 GLU N N 15 117.1 0.15 . 1 . . . . . . . . 5374 1 668 . 1 1 87 87 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 5374 1 669 . 1 1 87 87 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5374 1 670 . 1 1 87 87 GLU HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5374 1 671 . 1 1 87 87 GLU HB3 H 1 2.21 0.01 . 2 . . . . . . . . 5374 1 672 . 1 1 87 87 GLU HG2 H 1 2.56 0.01 . 1 . . . . . . . . 5374 1 673 . 1 1 87 87 GLU HG3 H 1 2.56 0.01 . 1 . . . . . . . . 5374 1 674 . 1 1 88 88 ASP N N 15 118.8 0.15 . 1 . . . . . . . . 5374 1 675 . 1 1 88 88 ASP H H 1 8.32 0.01 . 1 . . . . . . . . 5374 1 676 . 1 1 88 88 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5374 1 677 . 1 1 88 88 ASP HB2 H 1 2.69 0.01 . 1 . . . . . . . . 5374 1 678 . 1 1 88 88 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . 5374 1 679 . 1 1 89 89 GLN N N 15 118.3 0.15 . 1 . . . . . . . . 5374 1 680 . 1 1 89 89 GLN H H 1 7.83 0.01 . 1 . . . . . . . . 5374 1 681 . 1 1 89 89 GLN HA H 1 4.01 0.01 . 1 . . . . . . . . 5374 1 682 . 1 1 89 89 GLN HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5374 1 683 . 1 1 89 89 GLN HB3 H 1 2.26 0.01 . 2 . . . . . . . . 5374 1 684 . 1 1 89 89 GLN HG2 H 1 2.30 0.01 . 2 . . . . . . . . 5374 1 685 . 1 1 89 89 GLN HG3 H 1 2.50 0.01 . 2 . . . . . . . . 5374 1 686 . 1 1 89 89 GLN HE21 H 1 6.72 0.01 . 2 . . . . . . . . 5374 1 687 . 1 1 89 89 GLN HE22 H 1 7.40 0.01 . 2 . . . . . . . . 5374 1 688 . 1 1 90 90 ILE N N 15 120.6 0.15 . 1 . . . . . . . . 5374 1 689 . 1 1 90 90 ILE H H 1 7.96 0.01 . 1 . . . . . . . . 5374 1 690 . 1 1 90 90 ILE HA H 1 3.59 0.01 . 1 . . . . . . . . 5374 1 691 . 1 1 90 90 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 5374 1 692 . 1 1 90 90 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 693 . 1 1 90 90 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 694 . 1 1 90 90 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5374 1 695 . 1 1 90 90 ILE HD11 H 1 0.84 0.01 . 1 . . . . . . . . 5374 1 696 . 1 1 90 90 ILE HD12 H 1 0.84 0.01 . 1 . . . . . . . . 5374 1 697 . 1 1 90 90 ILE HD13 H 1 0.84 0.01 . 1 . . . . . . . . 5374 1 698 . 1 1 91 91 GLN N N 15 119.1 0.15 . 1 . . . . . . . . 5374 1 699 . 1 1 91 91 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 5374 1 700 . 1 1 91 91 GLN HA H 1 4.16 0.01 . 1 . . . . . . . . 5374 1 701 . 1 1 91 91 GLN HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 702 . 1 1 91 91 GLN HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 703 . 1 1 91 91 GLN HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5374 1 704 . 1 1 92 92 GLN N N 15 119.2 0.15 . 1 . . . . . . . . 5374 1 705 . 1 1 92 92 GLN H H 1 8.72 0.01 . 1 . . . . . . . . 5374 1 706 . 1 1 92 92 GLN HA H 1 4.10 0.01 . 1 . . . . . . . . 5374 1 707 . 1 1 92 92 GLN HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5374 1 708 . 1 1 92 92 GLN HB3 H 1 2.19 0.01 . 2 . . . . . . . . 5374 1 709 . 1 1 92 92 GLN HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5374 1 710 . 1 1 92 92 GLN HG3 H 1 2.52 0.01 . 2 . . . . . . . . 5374 1 711 . 1 1 93 93 GLY N N 15 104.4 0.15 . 1 . . . . . . . . 5374 1 712 . 1 1 93 93 GLY H H 1 7.78 0.01 . 1 . . . . . . . . 5374 1 713 . 1 1 93 93 GLY HA2 H 1 3.52 0.01 . 2 . . . . . . . . 5374 1 714 . 1 1 93 93 GLY HA3 H 1 4.18 0.01 . 2 . . . . . . . . 5374 1 715 . 1 1 94 94 GLN N N 15 118.0 0.15 . 1 . . . . . . . . 5374 1 716 . 1 1 94 94 GLN H H 1 7.75 0.01 . 1 . . . . . . . . 5374 1 717 . 1 1 94 94 GLN HA H 1 3.99 0.01 . 1 . . . . . . . . 5374 1 718 . 1 1 94 94 GLN HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 719 . 1 1 94 94 GLN HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5374 1 720 . 1 1 94 94 GLN HG2 H 1 2.34 0.01 . 1 . . . . . . . . 5374 1 721 . 1 1 94 94 GLN HG3 H 1 2.34 0.01 . 1 . . . . . . . . 5374 1 722 . 1 1 94 94 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 5374 1 723 . 1 1 94 94 GLN HE22 H 1 7.60 0.01 . 2 . . . . . . . . 5374 1 724 . 1 1 95 95 LEU N N 15 116.7 0.15 . 1 . . . . . . . . 5374 1 725 . 1 1 95 95 LEU H H 1 8.09 0.01 . 1 . . . . . . . . 5374 1 726 . 1 1 95 95 LEU HA H 1 4.31 0.01 . 1 . . . . . . . . 5374 1 727 . 1 1 95 95 LEU HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5374 1 728 . 1 1 95 95 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5374 1 729 . 1 1 95 95 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 5374 1 730 . 1 1 95 95 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 731 . 1 1 95 95 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 732 . 1 1 95 95 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 5374 1 733 . 1 1 95 95 LEU HD21 H 1 1.15 0.01 . 2 . . . . . . . . 5374 1 734 . 1 1 95 95 LEU HD22 H 1 1.15 0.01 . 2 . . . . . . . . 5374 1 735 . 1 1 95 95 LEU HD23 H 1 1.15 0.01 . 2 . . . . . . . . 5374 1 736 . 1 1 96 96 HIS N N 15 117.1 0.15 . 1 . . . . . . . . 5374 1 737 . 1 1 96 96 HIS H H 1 8.49 0.01 . 1 . . . . . . . . 5374 1 738 . 1 1 96 96 HIS HA H 1 4.96 0.01 . 1 . . . . . . . . 5374 1 739 . 1 1 96 96 HIS HB2 H 1 3.18 0.01 . 2 . . . . . . . . 5374 1 740 . 1 1 96 96 HIS HB3 H 1 3.38 0.01 . 2 . . . . . . . . 5374 1 741 . 1 1 96 96 HIS HD2 H 1 7.35 0.01 . 1 . . . . . . . . 5374 1 742 . 1 1 96 96 HIS HE1 H 1 8.60 0.01 . 1 . . . . . . . . 5374 1 743 . 1 1 97 97 GLY N N 15 109.1 0.15 . 1 . . . . . . . . 5374 1 744 . 1 1 97 97 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 5374 1 745 . 1 1 97 97 GLY HA2 H 1 3.90 0.01 . 2 . . . . . . . . 5374 1 746 . 1 1 97 97 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 5374 1 747 . 1 1 98 98 GLU N N 15 125.6 0.15 . 1 . . . . . . . . 5374 1 748 . 1 1 98 98 GLU H H 1 9.07 0.01 . 1 . . . . . . . . 5374 1 749 . 1 1 98 98 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 5374 1 750 . 1 1 98 98 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 751 . 1 1 98 98 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 5374 1 752 . 1 1 98 98 GLU HG2 H 1 2.50 0.01 . 1 . . . . . . . . 5374 1 753 . 1 1 98 98 GLU HG3 H 1 2.50 0.01 . 1 . . . . . . . . 5374 1 754 . 1 1 99 99 GLU N N 15 117.6 0.15 . 1 . . . . . . . . 5374 1 755 . 1 1 99 99 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 5374 1 756 . 1 1 99 99 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 5374 1 757 . 1 1 99 99 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5374 1 758 . 1 1 99 99 GLU HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5374 1 759 . 1 1 99 99 GLU HG2 H 1 2.32 0.01 . 2 . . . . . . . . 5374 1 760 . 1 1 99 99 GLU HG3 H 1 2.56 0.01 . 2 . . . . . . . . 5374 1 761 . 1 1 100 100 SER N N 15 114.0 0.15 . 1 . . . . . . . . 5374 1 762 . 1 1 100 100 SER H H 1 7.34 0.01 . 1 . . . . . . . . 5374 1 763 . 1 1 100 100 SER HA H 1 4.02 0.01 . 1 . . . . . . . . 5374 1 764 . 1 1 100 100 SER HB2 H 1 3.70 0.01 . 2 . . . . . . . . 5374 1 765 . 1 1 100 100 SER HB3 H 1 3.77 0.01 . 2 . . . . . . . . 5374 1 766 . 1 1 101 101 GLU N N 15 122.6 0.15 . 1 . . . . . . . . 5374 1 767 . 1 1 101 101 GLU H H 1 7.89 0.01 . 1 . . . . . . . . 5374 1 768 . 1 1 101 101 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 5374 1 769 . 1 1 101 101 GLU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 5374 1 770 . 1 1 101 101 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 5374 1 771 . 1 1 101 101 GLU HG2 H 1 2.48 0.01 . 1 . . . . . . . . 5374 1 772 . 1 1 101 101 GLU HG3 H 1 2.48 0.01 . 1 . . . . . . . . 5374 1 773 . 1 1 102 102 ARG N N 15 119.6 0.15 . 1 . . . . . . . . 5374 1 774 . 1 1 102 102 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 5374 1 775 . 1 1 102 102 ARG HA H 1 4.12 0.01 . 1 . . . . . . . . 5374 1 776 . 1 1 102 102 ARG HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5374 1 777 . 1 1 102 102 ARG HB3 H 1 1.97 0.01 . 1 . . . . . . . . 5374 1 778 . 1 1 102 102 ARG HG2 H 1 1.70 0.01 . 2 . . . . . . . . 5374 1 779 . 1 1 102 102 ARG HG3 H 1 1.83 0.01 . 2 . . . . . . . . 5374 1 780 . 1 1 102 102 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5374 1 781 . 1 1 102 102 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 5374 1 782 . 1 1 102 102 ARG HE H 1 7.33 0.01 . 1 . . . . . . . . 5374 1 783 . 1 1 102 102 ARG HH21 H 1 6.74 0.01 . 1 . . . . . . . . 5374 1 784 . 1 1 102 102 ARG HH22 H 1 6.74 0.01 . 1 . . . . . . . . 5374 1 785 . 1 1 103 103 VAL N N 15 119.4 0.15 . 1 . . . . . . . . 5374 1 786 . 1 1 103 103 VAL H H 1 7.35 0.01 . 1 . . . . . . . . 5374 1 787 . 1 1 103 103 VAL HA H 1 3.62 0.01 . 1 . . . . . . . . 5374 1 788 . 1 1 103 103 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5374 1 789 . 1 1 103 103 VAL HG11 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 790 . 1 1 103 103 VAL HG12 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 791 . 1 1 103 103 VAL HG13 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 792 . 1 1 103 103 VAL HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 793 . 1 1 103 103 VAL HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 794 . 1 1 103 103 VAL HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5374 1 795 . 1 1 104 104 ALA N N 15 121.4 0.15 . 1 . . . . . . . . 5374 1 796 . 1 1 104 104 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 5374 1 797 . 1 1 104 104 ALA HA H 1 4.03 0.01 . 1 . . . . . . . . 5374 1 798 . 1 1 104 104 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 5374 1 799 . 1 1 104 104 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 5374 1 800 . 1 1 104 104 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 5374 1 801 . 1 1 105 105 GLN N N 15 119.8 0.15 . 1 . . . . . . . . 5374 1 802 . 1 1 105 105 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 5374 1 803 . 1 1 105 105 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 5374 1 804 . 1 1 105 105 GLN HB2 H 1 2.26 0.01 . 1 . . . . . . . . 5374 1 805 . 1 1 105 105 GLN HB3 H 1 2.26 0.01 . 1 . . . . . . . . 5374 1 806 . 1 1 105 105 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5374 1 807 . 1 1 105 105 GLN HG3 H 1 2.58 0.01 . 2 . . . . . . . . 5374 1 808 . 1 1 105 105 GLN HE21 H 1 6.77 0.01 . 2 . . . . . . . . 5374 1 809 . 1 1 105 105 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 5374 1 810 . 1 1 106 106 ARG N N 15 121.3 0.15 . 1 . . . . . . . . 5374 1 811 . 1 1 106 106 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 5374 1 812 . 1 1 106 106 ARG HA H 1 4.24 0.01 . 1 . . . . . . . . 5374 1 813 . 1 1 106 106 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 5374 1 814 . 1 1 106 106 ARG HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5374 1 815 . 1 1 106 106 ARG HG2 H 1 1.69 0.01 . 1 . . . . . . . . 5374 1 816 . 1 1 106 106 ARG HG3 H 1 1.69 0.01 . 1 . . . . . . . . 5374 1 817 . 1 1 106 106 ARG HD2 H 1 3.07 0.01 . 1 . . . . . . . . 5374 1 818 . 1 1 106 106 ARG HD3 H 1 3.07 0.01 . 1 . . . . . . . . 5374 1 819 . 1 1 106 106 ARG HE H 1 7.06 0.01 . 1 . . . . . . . . 5374 1 820 . 1 1 107 107 ALA N N 15 123.4 0.15 . 1 . . . . . . . . 5374 1 821 . 1 1 107 107 ALA H H 1 8.78 0.01 . 1 . . . . . . . . 5374 1 822 . 1 1 107 107 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 5374 1 823 . 1 1 107 107 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5374 1 824 . 1 1 107 107 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5374 1 825 . 1 1 107 107 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5374 1 826 . 1 1 108 108 GLY N N 15 105.1 0.15 . 1 . . . . . . . . 5374 1 827 . 1 1 108 108 GLY H H 1 8.03 0.01 . 1 . . . . . . . . 5374 1 828 . 1 1 108 108 GLY HA2 H 1 3.83 0.01 . 2 . . . . . . . . 5374 1 829 . 1 1 108 108 GLY HA3 H 1 4.01 0.01 . 2 . . . . . . . . 5374 1 830 . 1 1 109 109 GLU N N 15 122.8 0.15 . 1 . . . . . . . . 5374 1 831 . 1 1 109 109 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 5374 1 832 . 1 1 109 109 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 5374 1 833 . 1 1 109 109 GLU HB2 H 1 2.29 0.01 . 1 . . . . . . . . 5374 1 834 . 1 1 109 109 GLU HB3 H 1 2.29 0.01 . 1 . . . . . . . . 5374 1 835 . 1 1 109 109 GLU HG2 H 1 2.63 0.01 . 1 . . . . . . . . 5374 1 836 . 1 1 109 109 GLU HG3 H 1 2.63 0.01 . 1 . . . . . . . . 5374 1 837 . 1 1 110 110 ILE N N 15 121.5 0.15 . 1 . . . . . . . . 5374 1 838 . 1 1 110 110 ILE H H 1 7.94 0.01 . 1 . . . . . . . . 5374 1 839 . 1 1 110 110 ILE HA H 1 3.57 0.01 . 1 . . . . . . . . 5374 1 840 . 1 1 110 110 ILE HB H 1 2.07 0.01 . 1 . . . . . . . . 5374 1 841 . 1 1 110 110 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5374 1 842 . 1 1 110 110 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5374 1 843 . 1 1 110 110 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5374 1 844 . 1 1 110 110 ILE HG12 H 1 1.05 0.01 . 1 . . . . . . . . 5374 1 845 . 1 1 110 110 ILE HG13 H 1 1.05 0.01 . 1 . . . . . . . . 5374 1 846 . 1 1 110 110 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5374 1 847 . 1 1 110 110 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5374 1 848 . 1 1 110 110 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5374 1 849 . 1 1 111 111 VAL N N 15 118.3 0.15 . 1 . . . . . . . . 5374 1 850 . 1 1 111 111 VAL H H 1 7.84 0.01 . 1 . . . . . . . . 5374 1 851 . 1 1 111 111 VAL HA H 1 3.37 0.01 . 1 . . . . . . . . 5374 1 852 . 1 1 111 111 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 5374 1 853 . 1 1 111 111 VAL HG11 H 1 0.98 0.01 . 2 . . . . . . . . 5374 1 854 . 1 1 111 111 VAL HG12 H 1 0.98 0.01 . 2 . . . . . . . . 5374 1 855 . 1 1 111 111 VAL HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5374 1 856 . 1 1 111 111 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 5374 1 857 . 1 1 111 111 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 5374 1 858 . 1 1 111 111 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 5374 1 859 . 1 1 112 112 SER N N 15 111.6 0.15 . 1 . . . . . . . . 5374 1 860 . 1 1 112 112 SER H H 1 8.10 0.01 . 1 . . . . . . . . 5374 1 861 . 1 1 112 112 SER HA H 1 4.30 0.01 . 1 . . . . . . . . 5374 1 862 . 1 1 112 112 SER HB2 H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 863 . 1 1 112 112 SER HB3 H 1 3.97 0.01 . 1 . . . . . . . . 5374 1 864 . 1 1 113 113 SER N N 15 117.8 0.15 . 1 . . . . . . . . 5374 1 865 . 1 1 113 113 SER H H 1 8.77 0.01 . 1 . . . . . . . . 5374 1 866 . 1 1 113 113 SER HA H 1 4.32 0.01 . 1 . . . . . . . . 5374 1 867 . 1 1 113 113 SER HB2 H 1 3.79 0.01 . 2 . . . . . . . . 5374 1 868 . 1 1 113 113 SER HB3 H 1 3.99 0.01 . 2 . . . . . . . . 5374 1 869 . 1 1 114 114 CYS N N 15 114.0 0.15 . 1 . . . . . . . . 5374 1 870 . 1 1 114 114 CYS H H 1 8.34 0.01 . 1 . . . . . . . . 5374 1 871 . 1 1 114 114 CYS HA H 1 4.88 0.01 . 1 . . . . . . . . 5374 1 872 . 1 1 114 114 CYS HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5374 1 873 . 1 1 114 114 CYS HB3 H 1 3.20 0.01 . 2 . . . . . . . . 5374 1 874 . 1 1 115 115 GLY N N 15 109.0 0.15 . 1 . . . . . . . . 5374 1 875 . 1 1 115 115 GLY H H 1 7.57 0.01 . 1 . . . . . . . . 5374 1 876 . 1 1 115 115 GLY HA2 H 1 3.93 0.01 . 1 . . . . . . . . 5374 1 877 . 1 1 115 115 GLY HA3 H 1 3.93 0.01 . 1 . . . . . . . . 5374 1 878 . 1 1 116 116 VAL N N 15 120.7 0.15 . 1 . . . . . . . . 5374 1 879 . 1 1 116 116 VAL H H 1 7.93 0.01 . 1 . . . . . . . . 5374 1 880 . 1 1 116 116 VAL HA H 1 3.83 0.01 . 1 . . . . . . . . 5374 1 881 . 1 1 116 116 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5374 1 882 . 1 1 116 116 VAL HG11 H 1 0.84 0.01 . 2 . . . . . . . . 5374 1 883 . 1 1 116 116 VAL HG12 H 1 0.84 0.01 . 2 . . . . . . . . 5374 1 884 . 1 1 116 116 VAL HG13 H 1 0.84 0.01 . 2 . . . . . . . . 5374 1 885 . 1 1 116 116 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 5374 1 886 . 1 1 116 116 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 5374 1 887 . 1 1 116 116 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 5374 1 888 . 1 1 117 117 ARG N N 15 127.5 0.15 . 1 . . . . . . . . 5374 1 889 . 1 1 117 117 ARG H H 1 8.86 0.01 . 1 . . . . . . . . 5374 1 890 . 1 1 117 117 ARG HA H 1 4.46 0.01 . 1 . . . . . . . . 5374 1 891 . 1 1 117 117 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5374 1 892 . 1 1 117 117 ARG HB3 H 1 1.81 0.01 . 1 . . . . . . . . 5374 1 893 . 1 1 117 117 ARG HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5374 1 894 . 1 1 117 117 ARG HG3 H 1 1.68 0.01 . 2 . . . . . . . . 5374 1 895 . 1 1 117 117 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 896 . 1 1 117 117 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 897 . 1 1 117 117 ARG HE H 1 7.20 0.01 . 1 . . . . . . . . 5374 1 898 . 1 1 118 118 CYS N N 15 124.3 0.15 . 1 . . . . . . . . 5374 1 899 . 1 1 118 118 CYS H H 1 8.63 0.01 . 1 . . . . . . . . 5374 1 900 . 1 1 118 118 CYS HA H 1 4.87 0.01 . 1 . . . . . . . . 5374 1 901 . 1 1 118 118 CYS HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5374 1 902 . 1 1 118 118 CYS HB3 H 1 3.22 0.01 . 2 . . . . . . . . 5374 1 903 . 1 1 119 119 MET N N 15 122.5 0.15 . 1 . . . . . . . . 5374 1 904 . 1 1 119 119 MET H H 1 8.65 0.01 . 1 . . . . . . . . 5374 1 905 . 1 1 119 119 MET HA H 1 4.50 0.01 . 1 . . . . . . . . 5374 1 906 . 1 1 119 119 MET HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5374 1 907 . 1 1 119 119 MET HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5374 1 908 . 1 1 119 119 MET HG2 H 1 2.61 0.01 . 2 . . . . . . . . 5374 1 909 . 1 1 119 119 MET HG3 H 1 2.56 0.01 . 2 . . . . . . . . 5374 1 910 . 1 1 120 120 ARG N N 15 122.8 0.15 . 1 . . . . . . . . 5374 1 911 . 1 1 120 120 ARG H H 1 8.49 0.01 . 1 . . . . . . . . 5374 1 912 . 1 1 120 120 ARG HA H 1 4.33 0.01 . 1 . . . . . . . . 5374 1 913 . 1 1 120 120 ARG HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5374 1 914 . 1 1 120 120 ARG HB3 H 1 1.86 0.01 . 2 . . . . . . . . 5374 1 915 . 1 1 120 120 ARG HG2 H 1 1.65 0.01 . 1 . . . . . . . . 5374 1 916 . 1 1 120 120 ARG HG3 H 1 1.65 0.01 . 1 . . . . . . . . 5374 1 917 . 1 1 120 120 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 918 . 1 1 120 120 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5374 1 919 . 1 1 120 120 ARG HE H 1 7.20 0.01 . 1 . . . . . . . . 5374 1 920 . 1 1 121 121 GLN N N 15 122.2 0.15 . 1 . . . . . . . . 5374 1 921 . 1 1 121 121 GLN H H 1 8.49 0.01 . 1 . . . . . . . . 5374 1 922 . 1 1 121 121 GLN HA H 1 4.44 0.01 . 1 . . . . . . . . 5374 1 923 . 1 1 121 121 GLN HB2 H 1 2.01 0.01 . 2 . . . . . . . . 5374 1 924 . 1 1 121 121 GLN HB3 H 1 2.13 0.01 . 2 . . . . . . . . 5374 1 925 . 1 1 121 121 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 5374 1 926 . 1 1 121 121 GLN HG3 H 1 2.37 0.01 . 1 . . . . . . . . 5374 1 927 . 1 1 122 122 THR N N 15 116.2 0.15 . 1 . . . . . . . . 5374 1 928 . 1 1 122 122 THR H H 1 8.23 0.01 . 1 . . . . . . . . 5374 1 929 . 1 1 122 122 THR HA H 1 4.37 0.01 . 1 . . . . . . . . 5374 1 930 . 1 1 122 122 THR HB H 1 4.22 0.01 . 1 . . . . . . . . 5374 1 931 . 1 1 122 122 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5374 1 932 . 1 1 122 122 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5374 1 933 . 1 1 122 122 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5374 1 934 . 1 1 123 123 ARG N N 15 123.2 0.15 . 1 . . . . . . . . 5374 1 935 . 1 1 123 123 ARG H H 1 8.37 0.01 . 1 . . . . . . . . 5374 1 936 . 1 1 123 123 ARG HA H 1 4.49 0.01 . 1 . . . . . . . . 5374 1 937 . 1 1 123 123 ARG HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5374 1 938 . 1 1 123 123 ARG HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5374 1 939 . 1 1 123 123 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 940 . 1 1 123 123 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 5374 1 941 . 1 1 123 123 ARG HD2 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 942 . 1 1 123 123 ARG HD3 H 1 3.22 0.01 . 1 . . . . . . . . 5374 1 943 . 1 1 123 123 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 5374 1 944 . 1 1 124 124 THR N N 15 115.5 0.15 . 1 . . . . . . . . 5374 1 945 . 1 1 124 124 THR H H 1 8.26 0.01 . 1 . . . . . . . . 5374 1 946 . 1 1 124 124 THR HA H 1 4.37 0.01 . 1 . . . . . . . . 5374 1 947 . 1 1 124 124 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 5374 1 948 . 1 1 124 124 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 5374 1 949 . 1 1 124 124 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 5374 1 950 . 1 1 124 124 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 5374 1 951 . 1 1 125 125 ASN N N 15 125.2 0.15 . 1 . . . . . . . . 5374 1 952 . 1 1 125 125 ASN H H 1 8.10 0.01 . 1 . . . . . . . . 5374 1 953 . 1 1 125 125 ASN HA H 1 4.54 0.01 . 1 . . . . . . . . 5374 1 954 . 1 1 125 125 ASN HB2 H 1 2.74 0.01 . 2 . . . . . . . . 5374 1 955 . 1 1 125 125 ASN HB3 H 1 2.81 0.01 . 2 . . . . . . . . 5374 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_HNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_HNHA _Coupling_constant_list.Entry_ID 5374 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions-1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample1 . 5374 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 GLU H . . . . 1 1 2 2 GLU HA . . . 7.4 . . 1.5 . . . . . . . . . . . 5374 1 2 3JHNHA . 1 1 3 3 PHE H . . . . 1 1 3 3 PHE HA . . . 5.2 . . 1.5 . . . . . . . . . . . 5374 1 3 3JHNHA . 1 1 9 9 GLU H . . . . 1 1 9 9 GLU HA . . . 7.0 . . 1.5 . . . . . . . . . . . 5374 1 4 3JHNHA . 1 1 14 14 SER H . . . . 1 1 14 14 SER HA . . . 6.8 . . 1.5 . . . . . . . . . . . 5374 1 5 3JHNHA . 1 1 17 17 GLN H . . . . 1 1 17 17 GLN HA . . . 5.7 . . 1.5 . . . . . . . . . . . 5374 1 6 3JHNHA . 1 1 18 18 CYS H . . . . 1 1 18 18 CYS HA . . . 5.3 . . 1.5 . . . . . . . . . . . 5374 1 7 3JHNHA . 1 1 20 20 GLN H . . . . 1 1 20 20 GLN HA . . . 5.0 . . 1.5 . . . . . . . . . . . 5374 1 8 3JHNHA . 1 1 21 21 GLU H . . . . 1 1 21 21 GLU HA . . . 5.5 . . 1.5 . . . . . . . . . . . 5374 1 9 3JHNHA . 1 1 22 22 VAL H . . . . 1 1 22 22 VAL HA . . . 5.9 . . 1.5 . . . . . . . . . . . 5374 1 10 3JHNHA . 1 1 23 23 GLN H . . . . 1 1 23 23 GLN HA . . . 5.7 . . 1.5 . . . . . . . . . . . 5374 1 11 3JHNHA . 1 1 24 24 ARG H . . . . 1 1 24 24 ARG HA . . . 8.7 . . 1.5 . . . . . . . . . . . 5374 1 12 3JHNHA . 1 1 29 29 SER H . . . . 1 1 29 29 SER HA . . . 6.0 . . 1.5 . . . . . . . . . . . 5374 1 13 3JHNHA . 1 1 31 31 GLU H . . . . 1 1 31 31 GLU HA . . . 4.0 . . 1.5 . . . . . . . . . . . 5374 1 14 3JHNHA . 1 1 32 32 ARG H . . . . 1 1 32 32 ARG HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5374 1 15 3JHNHA . 1 1 33 33 TYR H . . . . 1 1 33 33 TYR HA . . . 3.7 . . 1.5 . . . . . . . . . . . 5374 1 16 3JHNHA . 1 1 34 34 LEU H . . . . 1 1 34 34 LEU HA . . . 4.9 . . 1.5 . . . . . . . . . . . 5374 1 17 3JHNHA . 1 1 35 35 ARG H . . . . 1 1 35 35 ARG HA . . . 7.1 . . 1.5 . . . . . . . . . . . 5374 1 18 3JHNHA . 1 1 36 36 GLN H . . . . 1 1 36 36 GLN HA . . . 5.9 . . 1.5 . . . . . . . . . . . 5374 1 19 3JHNHA . 1 1 37 37 SER H . . . . 1 1 37 37 SER HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5374 1 20 3JHNHA . 1 1 40 40 ARG H . . . . 1 1 40 40 ARG HA . . . 6.7 . . 1.5 . . . . . . . . . . . 5374 1 21 3JHNHA . 1 1 42 42 SER H . . . . 1 1 42 42 SER HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5374 1 22 3JHNHA . 1 1 43 43 THR H . . . . 1 1 43 43 THR HA . . . 7.5 . . 1.5 . . . . . . . . . . . 5374 1 23 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 6.5 . . 1.5 . . . . . . . . . . . 5374 1 24 3JHNHA . 1 1 47 47 VAL H . . . . 1 1 47 47 VAL HA . . . 7.3 . . 1.5 . . . . . . . . . . . 5374 1 25 3JHNHA . 1 1 53 53 ASP H . . . . 1 1 53 53 ASP HA . . . 4.6 . . 1.5 . . . . . . . . . . . 5374 1 26 3JHNHA . 1 1 60 60 SER H . . . . 1 1 60 60 SER HA . . . 4.2 . . 1.5 . . . . . . . . . . . 5374 1 27 3JHNHA . 1 1 61 61 GLN H . . . . 1 1 61 61 GLN HA . . . 4.5 . . 1.5 . . . . . . . . . . . 5374 1 28 3JHNHA . 1 1 62 62 GLN H . . . . 1 1 62 62 GLN HA . . . 4.3 . . 1.5 . . . . . . . . . . . 5374 1 29 3JHNHA . 1 1 63 63 LEU H . . . . 1 1 63 63 LEU HA . . . 3.9 . . 1.5 . . . . . . . . . . . 5374 1 30 3JHNHA . 1 1 64 64 GLN H . . . . 1 1 64 64 GLN HA . . . 4.0 . . 1.5 . . . . . . . . . . . 5374 1 31 3JHNHA . 1 1 65 65 GLN H . . . . 1 1 65 65 GLN HA . . . 4.6 . . 1.5 . . . . . . . . . . . 5374 1 32 3JHNHA . 1 1 66 66 CYS H . . . . 1 1 66 66 CYS HA . . . 4.9 . . 1.5 . . . . . . . . . . . 5374 1 33 3JHNHA . 1 1 68 68 ASN H . . . . 1 1 68 68 ASN HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5374 1 34 3JHNHA . 1 1 69 69 GLN H . . . . 1 1 69 69 GLN HA . . . 6.4 . . 1.5 . . . . . . . . . . . 5374 1 35 3JHNHA . 1 1 70 70 VAL H . . . . 1 1 70 70 VAL HA . . . 4.6 . . 1.5 . . . . . . . . . . . 5374 1 36 3JHNHA . 1 1 71 71 LYS H . . . . 1 1 71 71 LYS HA . . . 5.1 . . 1.5 . . . . . . . . . . . 5374 1 37 3JHNHA . 1 1 72 72 GLN H . . . . 1 1 72 72 GLN HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5374 1 38 3JHNHA . 1 1 73 73 VAL H . . . . 1 1 73 73 VAL HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5374 1 39 3JHNHA . 1 1 77 77 CYS H . . . . 1 1 77 77 CYS HA . . . 0.2 . . 1.5 . . . . . . . . . . . 5374 1 40 3JHNHA . 1 1 78 78 GLN H . . . . 1 1 78 78 GLN HA . . . 3.2 . . 1.5 . . . . . . . . . . . 5374 1 41 3JHNHA . 1 1 79 79 CYS H . . . . 1 1 79 79 CYS HA . . . 4.2 . . 1.5 . . . . . . . . . . . 5374 1 42 3JHNHA . 1 1 82 82 ILE H . . . . 1 1 82 82 ILE HA . . . 5.8 . . 1.5 . . . . . . . . . . . 5374 1 43 3JHNHA . 1 1 83 83 LYS H . . . . 1 1 83 83 LYS HA . . . 4.2 . . 1.5 . . . . . . . . . . . 5374 1 44 3JHNHA . 1 1 85 85 ILE H . . . . 1 1 85 85 ILE HA . . . 5.7 . . 1.5 . . . . . . . . . . . 5374 1 45 3JHNHA . 1 1 86 86 ALA H . . . . 1 1 86 86 ALA HA . . . 4.8 . . 1.5 . . . . . . . . . . . 5374 1 46 3JHNHA . 1 1 87 87 GLU H . . . . 1 1 87 87 GLU HA . . . 4.5 . . 1.5 . . . . . . . . . . . 5374 1 47 3JHNHA . 1 1 88 88 ASP H . . . . 1 1 88 88 ASP HA . . . 2.9 . . 1.5 . . . . . . . . . . . 5374 1 48 3JHNHA . 1 1 89 89 GLN H . . . . 1 1 89 89 GLN HA . . . 5.1 . . 1.5 . . . . . . . . . . . 5374 1 49 3JHNHA . 1 1 90 90 ILE H . . . . 1 1 90 90 ILE HA . . . 4.6 . . 1.5 . . . . . . . . . . . 5374 1 50 3JHNHA . 1 1 92 92 GLN H . . . . 1 1 92 92 GLN HA . . . 4.7 . . 1.5 . . . . . . . . . . . 5374 1 51 3JHNHA . 1 1 94 94 GLN H . . . . 1 1 94 94 GLN HA . . . 6.6 . . 1.5 . . . . . . . . . . . 5374 1 52 3JHNHA . 1 1 95 95 LEU H . . . . 1 1 95 95 LEU HA . . . 7.2 . . 1.5 . . . . . . . . . . . 5374 1 53 3JHNHA . 1 1 98 98 GLU H . . . . 1 1 98 98 GLU HA . . . 4.5 . . 1.5 . . . . . . . . . . . 5374 1 54 3JHNHA . 1 1 102 102 ARG H . . . . 1 1 102 102 ARG HA . . . 4.1 . . 1.5 . . . . . . . . . . . 5374 1 55 3JHNHA . 1 1 103 103 VAL H . . . . 1 1 103 103 VAL HA . . . 5.9 . . 1.5 . . . . . . . . . . . 5374 1 56 3JHNHA . 1 1 104 104 ALA H . . . . 1 1 104 104 ALA HA . . . 4.0 . . 1.5 . . . . . . . . . . . 5374 1 57 3JHNHA . 1 1 105 105 GLN H . . . . 1 1 105 105 GLN HA . . . 4.4 . . 1.5 . . . . . . . . . . . 5374 1 58 3JHNHA . 1 1 107 107 ALA H . . . . 1 1 107 107 ALA HA . . . 4.3 . . 1.5 . . . . . . . . . . . 5374 1 59 3JHNHA . 1 1 110 110 ILE H . . . . 1 1 110 110 ILE HA . . . 5.0 . . 1.5 . . . . . . . . . . . 5374 1 60 3JHNHA . 1 1 111 111 VAL H . . . . 1 1 111 111 VAL HA . . . 2.3 . . 1.5 . . . . . . . . . . . 5374 1 61 3JHNHA . 1 1 112 112 SER H . . . . 1 1 112 112 SER HA . . . 5.3 . . 1.5 . . . . . . . . . . . 5374 1 62 3JHNHA . 1 1 113 113 SER H . . . . 1 1 113 113 SER HA . . . 5.1 . . 1.5 . . . . . . . . . . . 5374 1 63 3JHNHA . 1 1 114 114 CYS H . . . . 1 1 114 114 CYS HA . . . 8.2 . . 1.5 . . . . . . . . . . . 5374 1 64 3JHNHA . 1 1 116 116 VAL H . . . . 1 1 116 116 VAL HA . . . 7.8 . . 1.5 . . . . . . . . . . . 5374 1 65 3JHNHA . 1 1 117 117 ARG H . . . . 1 1 117 117 ARG HA . . . 6.9 . . 1.5 . . . . . . . . . . . 5374 1 66 3JHNHA . 1 1 118 118 CYS H . . . . 1 1 118 118 CYS HA . . . 9.3 . . 1.5 . . . . . . . . . . . 5374 1 67 3JHNHA . 1 1 119 119 MET H . . . . 1 1 119 119 MET HA . . . 7.7 . . 1.5 . . . . . . . . . . . 5374 1 68 3JHNHA . 1 1 120 120 ARG H . . . . 1 1 120 120 ARG HA . . . 7.9 . . 1.5 . . . . . . . . . . . 5374 1 69 3JHNHA . 1 1 121 121 GLN H . . . . 1 1 121 121 GLN HA . . . 8.0 . . 1.5 . . . . . . . . . . . 5374 1 70 3JHNHA . 1 1 122 122 THR H . . . . 1 1 122 122 THR HA . . . 7.2 . . 1.5 . . . . . . . . . . . 5374 1 stop_ save_ save_J_values_HAN _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_HAN _Coupling_constant_list.Entry_ID 5374 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions-1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample1 . 5374 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHAN . 1 1 19 19 ARG HA . . . . 1 1 20 20 GLN N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 2 3JHAN . 1 1 20 20 GLN HA . . . . 1 1 21 21 GLU N . . . -1.7 . . 0.25 . . . . . . . . . . . 5374 2 3 3JHAN . 1 1 21 21 GLU HA . . . . 1 1 22 22 VAL N . . . -1.0 . . 0.25 . . . . . . . . . . . 5374 2 4 3JHAN . 1 1 31 31 GLU HA . . . . 1 1 32 32 ARG N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 5 3JHAN . 1 1 32 32 ARG HA . . . . 1 1 33 33 TYR N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 6 3JHAN . 1 1 33 33 TYR HA . . . . 1 1 34 34 LEU N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 7 3JHAN . 1 1 61 61 GLN HA . . . . 1 1 62 62 GLN N . . . -1.4 . . 0.25 . . . . . . . . . . . 5374 2 8 3JHAN . 1 1 62 62 GLN HA . . . . 1 1 63 63 LEU N . . . -1.5 . . 0.25 . . . . . . . . . . . 5374 2 9 3JHAN . 1 1 63 63 LEU HA . . . . 1 1 64 64 GLN N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 10 3JHAN . 1 1 64 64 GLN HA . . . . 1 1 65 65 GLN N . . . -1.5 . . 0.25 . . . . . . . . . . . 5374 2 11 3JHAN . 1 1 65 65 GLN HA . . . . 1 1 66 66 CYS N . . . -0.9 . . 0.25 . . . . . . . . . . . 5374 2 12 3JHAN . 1 1 66 66 CYS HA . . . . 1 1 67 67 CYS N . . . -1.7 . . 0.25 . . . . . . . . . . . 5374 2 13 3JHAN . 1 1 68 68 ASN HA . . . . 1 1 69 69 GLN N . . . -1.0 . . 0.25 . . . . . . . . . . . 5374 2 14 3JHAN . 1 1 69 69 GLN HA . . . . 1 1 70 70 VAL N . . . -1.4 . . 0.25 . . . . . . . . . . . 5374 2 15 3JHAN . 1 1 70 70 VAL HA . . . . 1 1 71 71 LYS N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 16 3JHAN . 1 1 72 72 GLN HA . . . . 1 1 73 73 VAL N . . . -0.9 . . 0.25 . . . . . . . . . . . 5374 2 17 3JHAN . 1 1 79 79 CYS HA . . . . 1 1 80 80 GLU N . . . -1.9 . . 0.25 . . . . . . . . . . . 5374 2 18 3JHAN . 1 1 82 82 ILE HA . . . . 1 1 83 83 LYS N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 19 3JHAN . 1 1 83 83 LYS HA . . . . 1 1 84 84 TYR N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 20 3JHAN . 1 1 84 84 TYR HA . . . . 1 1 85 85 ILE N . . . -1.5 . . 0.25 . . . . . . . . . . . 5374 2 21 3JHAN . 1 1 87 87 GLU HA . . . . 1 1 88 88 ASP N . . . -1.7 . . 0.25 . . . . . . . . . . . 5374 2 22 3JHAN . 1 1 89 89 GLN HA . . . . 1 1 90 90 ILE N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 23 3JHAN . 1 1 102 102 ARG HA . . . . 1 1 103 103 VAL N . . . -0.9 . . 0.25 . . . . . . . . . . . 5374 2 24 3JHAN . 1 1 103 103 VAL HA . . . . 1 1 104 104 ALA N . . . -1.2 . . 0.25 . . . . . . . . . . . 5374 2 25 3JHAN . 1 1 104 104 ALA HA . . . . 1 1 105 105 GLN N . . . -1.6 . . 0.25 . . . . . . . . . . . 5374 2 26 3JHAN . 1 1 109 109 GLU HA . . . . 1 1 110 110 ILE N . . . -1.6 . . 0.25 . . . . . . . . . . . 5374 2 27 3JHAN . 1 1 110 110 ILE HA . . . . 1 1 111 111 VAL N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 28 3JHAN . 1 1 111 111 VAL HA . . . . 1 1 112 112 SER N . . . -1.3 . . 0.25 . . . . . . . . . . . 5374 2 29 3JHAN . 1 1 113 113 SER HA . . . . 1 1 114 114 CYS N . . . -1.1 . . 0.25 . . . . . . . . . . . 5374 2 stop_ save_