data_5094 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5094 _Entry.Title ; Chemosensory Protein from Moth Mamestra brassicae. Expression and Secondary Structure from 1H and 15N NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-02 _Entry.Accession_date 2001-08-02 _Entry.Last_release_date 2001-08-02 _Entry.Original_release_date 2001-08-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 V. Campanacci . . . . 5094 2 A. Mosbah . . . . 5094 3 O. Bornet . . . . 5094 4 R. Wechselberger . . . . 5094 5 E. Jacquin-Joly . . . . 5094 6 C. Cambillau . . . . 5094 7 H. Darbon . . . . 5094 8 M. Tegoni . . . . 5094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5094 coupling_constants 1 5094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 116 5094 '1H chemical shifts' 724 5094 'coupling constants' 96 5094 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 . . 2003-01-07 . original BMRB . 5094 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5094 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21423492 _Citation.DOI . _Citation.PubMed_ID 11532009 _Citation.Full_citation . _Citation.Title ; Chemosensory Protein from Moth Mamestra brassicae. Expression and Secondary Structure from 1H and 15N NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 268 _Citation.Journal_issue 17 _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 4731 _Citation.Page_last 4739 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 V. Campanacci . . . . 5094 1 2 A. Mosbah . . . . 5094 1 3 O. Bornet . . . . 5094 1 4 R. Wechselberger . . . . 5094 1 5 E. Jacquin-Joly . . . . 5094 1 6 C. Cambillau . . . . 5094 1 7 H. Darbon . . . . 5094 1 8 M. Tegoni . . . . 5094 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 5094 1 'chemosensory protein' 5094 1 membrane 5094 1 moth 5094 1 pheromone 5094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cs_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cs_protein _Assembly.Entry_ID 5094 _Assembly.ID 1 _Assembly.Name 'chemosensory protein' _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 5094 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 'chemosensory protein' 1 $cs_protein . . . native . . . . . 5094 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . . . 5094 1 2 disulfide single . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . . . 5094 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1JJL . . . . . . 5094 1 yes PDB 1K19 . . . . . . 5094 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'chemosensory protein' abbreviation 5094 1 'chemosensory protein' system 5094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cs_protein _Entity.Sf_category entity _Entity.Sf_framecode cs_protein _Entity.Entry_ID 5094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'chemosensory protein' _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 ; EDKYTDKYDNINLDEILANK RLLVAYVNCVMERGKCSPEG KELKEHLQDAIENGCKKCTE NQEKGAYRVIEHLIKNEIEI WRELTAKYDPTGNWRKKYED RAKAAGIVIPEE ; _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 112 _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 . no PDB 1K19 . 'Nmr Solution Structure Of The Chemosensory Protein Csp2 From Moth Mamestra Brassicae' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no PDB 1KX8 . 'Antennal Chemosensory Protein A6 From Mamestra Brassicae, Tetragonal Form' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no PDB 1KX9 . 'Antennal Chemosensory Protein A6 From The Moth Mamestra Brassicae' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no PDB 1N8U . 'Chemosensory Protein In Complex With Bromo-Dodecanol' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no PDB 1N8V . 'Chemosensory Protein In Complex With Bromo-Dodecanol' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no GenBank AAF19647 . 'chemosensory protein [Mamestra brassicae]' . . . . . 100.00 112 99.11 99.11 1.10e-57 . . . . 5094 1 . no GenBank AAF19648 . 'chemosensory protein [Mamestra brassicae]' . . . . . 100.00 112 98.21 99.11 2.88e-57 . . . . 5094 1 . no GenBank AAF19649 . 'chemosensory protein [Mamestra brassicae]' . . . . . 100.00 112 100.00 100.00 2.90e-58 . . . . 5094 1 . no GenBank AAF19650 . 'chemosensory protein [Mamestra brassicae]' . . . . . 100.00 112 99.11 99.11 2.50e-57 . . . . 5094 1 . no GenBank AAF19651 . 'chemosensory protein [Mamestra brassicae]' . . . . . 100.00 112 99.11 99.11 8.45e-58 . . . . 5094 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'chemosensory protein' abbreviation 5094 1 'chemosensory protein' common 5094 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 . GLU . 5094 1 2 . ASP . 5094 1 3 . LYS . 5094 1 4 . TYR . 5094 1 5 . THR . 5094 1 6 . ASP . 5094 1 7 . LYS . 5094 1 8 . TYR . 5094 1 9 . ASP . 5094 1 10 . ASN . 5094 1 11 . ILE . 5094 1 12 . ASN . 5094 1 13 . LEU . 5094 1 14 . ASP . 5094 1 15 . GLU . 5094 1 16 . ILE . 5094 1 17 . LEU . 5094 1 18 . ALA . 5094 1 19 . ASN . 5094 1 20 . LYS . 5094 1 21 . ARG . 5094 1 22 . LEU . 5094 1 23 . LEU . 5094 1 24 . VAL . 5094 1 25 . ALA . 5094 1 26 . TYR . 5094 1 27 . VAL . 5094 1 28 . ASN . 5094 1 29 . CYS . 5094 1 30 . VAL . 5094 1 31 . MET . 5094 1 32 . GLU . 5094 1 33 . ARG . 5094 1 34 . GLY . 5094 1 35 . LYS . 5094 1 36 . CYS . 5094 1 37 . SER . 5094 1 38 . PRO . 5094 1 39 . GLU . 5094 1 40 . GLY . 5094 1 41 . LYS . 5094 1 42 . GLU . 5094 1 43 . LEU . 5094 1 44 . LYS . 5094 1 45 . GLU . 5094 1 46 . HIS . 5094 1 47 . LEU . 5094 1 48 . GLN . 5094 1 49 . ASP . 5094 1 50 . ALA . 5094 1 51 . ILE . 5094 1 52 . GLU . 5094 1 53 . ASN . 5094 1 54 . GLY . 5094 1 55 . CYS . 5094 1 56 . LYS . 5094 1 57 . LYS . 5094 1 58 . CYS . 5094 1 59 . THR . 5094 1 60 . GLU . 5094 1 61 . ASN . 5094 1 62 . GLN . 5094 1 63 . GLU . 5094 1 64 . LYS . 5094 1 65 . GLY . 5094 1 66 . ALA . 5094 1 67 . TYR . 5094 1 68 . ARG . 5094 1 69 . VAL . 5094 1 70 . ILE . 5094 1 71 . GLU . 5094 1 72 . HIS . 5094 1 73 . LEU . 5094 1 74 . ILE . 5094 1 75 . LYS . 5094 1 76 . ASN . 5094 1 77 . GLU . 5094 1 78 . ILE . 5094 1 79 . GLU . 5094 1 80 . ILE . 5094 1 81 . TRP . 5094 1 82 . ARG . 5094 1 83 . GLU . 5094 1 84 . LEU . 5094 1 85 . THR . 5094 1 86 . ALA . 5094 1 87 . LYS . 5094 1 88 . TYR . 5094 1 89 . ASP . 5094 1 90 . PRO . 5094 1 91 . THR . 5094 1 92 . GLY . 5094 1 93 . ASN . 5094 1 94 . TRP . 5094 1 95 . ARG . 5094 1 96 . LYS . 5094 1 97 . LYS . 5094 1 98 . TYR . 5094 1 99 . GLU . 5094 1 100 . ASP . 5094 1 101 . ARG . 5094 1 102 . ALA . 5094 1 103 . LYS . 5094 1 104 . ALA . 5094 1 105 . ALA . 5094 1 106 . GLY . 5094 1 107 . ILE . 5094 1 108 . VAL . 5094 1 109 . ILE . 5094 1 110 . PRO . 5094 1 111 . GLU . 5094 1 112 . GLU . 5094 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 . GLU 1 1 5094 1 . ASP 2 2 5094 1 . LYS 3 3 5094 1 . TYR 4 4 5094 1 . THR 5 5 5094 1 . ASP 6 6 5094 1 . LYS 7 7 5094 1 . TYR 8 8 5094 1 . ASP 9 9 5094 1 . ASN 10 10 5094 1 . ILE 11 11 5094 1 . ASN 12 12 5094 1 . LEU 13 13 5094 1 . ASP 14 14 5094 1 . GLU 15 15 5094 1 . ILE 16 16 5094 1 . LEU 17 17 5094 1 . ALA 18 18 5094 1 . ASN 19 19 5094 1 . LYS 20 20 5094 1 . ARG 21 21 5094 1 . LEU 22 22 5094 1 . LEU 23 23 5094 1 . VAL 24 24 5094 1 . ALA 25 25 5094 1 . TYR 26 26 5094 1 . VAL 27 27 5094 1 . ASN 28 28 5094 1 . CYS 29 29 5094 1 . VAL 30 30 5094 1 . MET 31 31 5094 1 . GLU 32 32 5094 1 . ARG 33 33 5094 1 . GLY 34 34 5094 1 . LYS 35 35 5094 1 . CYS 36 36 5094 1 . SER 37 37 5094 1 . PRO 38 38 5094 1 . GLU 39 39 5094 1 . GLY 40 40 5094 1 . LYS 41 41 5094 1 . GLU 42 42 5094 1 . LEU 43 43 5094 1 . LYS 44 44 5094 1 . GLU 45 45 5094 1 . HIS 46 46 5094 1 . LEU 47 47 5094 1 . GLN 48 48 5094 1 . ASP 49 49 5094 1 . ALA 50 50 5094 1 . ILE 51 51 5094 1 . GLU 52 52 5094 1 . ASN 53 53 5094 1 . GLY 54 54 5094 1 . CYS 55 55 5094 1 . LYS 56 56 5094 1 . LYS 57 57 5094 1 . CYS 58 58 5094 1 . THR 59 59 5094 1 . GLU 60 60 5094 1 . ASN 61 61 5094 1 . GLN 62 62 5094 1 . GLU 63 63 5094 1 . LYS 64 64 5094 1 . GLY 65 65 5094 1 . ALA 66 66 5094 1 . TYR 67 67 5094 1 . ARG 68 68 5094 1 . VAL 69 69 5094 1 . ILE 70 70 5094 1 . GLU 71 71 5094 1 . HIS 72 72 5094 1 . LEU 73 73 5094 1 . ILE 74 74 5094 1 . LYS 75 75 5094 1 . ASN 76 76 5094 1 . GLU 77 77 5094 1 . ILE 78 78 5094 1 . GLU 79 79 5094 1 . ILE 80 80 5094 1 . TRP 81 81 5094 1 . ARG 82 82 5094 1 . GLU 83 83 5094 1 . LEU 84 84 5094 1 . THR 85 85 5094 1 . ALA 86 86 5094 1 . LYS 87 87 5094 1 . TYR 88 88 5094 1 . ASP 89 89 5094 1 . PRO 90 90 5094 1 . THR 91 91 5094 1 . GLY 92 92 5094 1 . ASN 93 93 5094 1 . TRP 94 94 5094 1 . ARG 95 95 5094 1 . LYS 96 96 5094 1 . LYS 97 97 5094 1 . TYR 98 98 5094 1 . GLU 99 99 5094 1 . ASP 100 100 5094 1 . ARG 101 101 5094 1 . ALA 102 102 5094 1 . LYS 103 103 5094 1 . ALA 104 104 5094 1 . ALA 105 105 5094 1 . GLY 106 106 5094 1 . ILE 107 107 5094 1 . VAL 108 108 5094 1 . ILE 109 109 5094 1 . PRO 110 110 5094 1 . GLU 111 111 5094 1 . GLU 112 112 5094 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 5094 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cs_protein . 55057 . . 'Mamestra brassicae' 'Mamestra brassicae' . . Eukaryota Metazoa Mamestra brassicae . . . . . . . . . . . . . 5094 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 5094 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cs_protein . 'recombinant technology' . . . . . . . . . . . . . . . . 5094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5094 _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 'chemosensory protein' . . . 1 $cs_protein . . 2 . . mM . . . . 5094 1 2 'sodium phosphate buffer' . . . . . . . 2 . . mM . . . . 5094 1 3 H2O . . . . . . . 90 . . % . . . . 5094 1 4 D2O . . . . . . . 10 . . % . . . . 5094 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5094 _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 'chemosensory protein' [U-15N] . . 1 $cs_protein . . 0.5 . . mM . . . . 5094 2 2 'sodium phosphate buffer' . . . . . . . 0.5 . . mM . . . . 5094 2 3 H2O . . . . . . . 90 . . % . . . . 5094 2 4 D2O . . . . . . . 10 . . % . . . . 5094 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5094 _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 6.9 . n/a 5094 1 pressure 1 . atm 5094 1 temperature 296 . K 5094 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5094 _Software.ID 1 _Software.Type . _Software.Name XWINNMR _Software.Version 2.1 _Software.DOI . _Software.Details bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5094 1 stop_ save_ save_DIANA _Software.Sf_category software _Software.Sf_framecode DIANA _Software.Entry_ID 5094 _Software.ID 2 _Software.Type . _Software.Name DIANA _Software.Version 2.8 _Software.DOI . _Software.Details 'Guntert et al., 1991; Guntert & Wuthrich, 1991' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5094 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5094 _Software.ID 3 _Software.Type . _Software.Name DYANA _Software.Version 1.5 _Software.DOI . _Software.Details 'Peter Guntert, Christian Mumenthaler & Torsten Herrmann' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5094 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5094 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 1.8 _Software.DOI . _Software.Details 'F. Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5094 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5094 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version 1.0 _Software.DOI . _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5094 5 stop_ save_ save_turbo_frodo _Software.Sf_category software _Software.Sf_framecode turbo_frodo _Software.Entry_ID 5094 _Software.ID 6 _Software.Type . _Software.Name 'turbo frodo' _Software.Version 'March 2001 release a' _Software.DOI . _Software.Details 'A. Roussel , A.G. Inisan , E. Knoops-Mouthuy and C. Cambillau' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5094 6 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5094 _Software.ID 7 _Software.Type . _Software.Name XEASY _Software.Version 1.3.13 _Software.DOI . _Software.Details 'Tai-he Xia and Christian Bartels' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5094 7 stop_ save_ save_Spscan _Software.Sf_category software _Software.Sf_framecode Spscan _Software.Entry_ID 5094 _Software.ID 8 _Software.Type . _Software.Name Spscan _Software.Version 1.1 _Software.DOI . _Software.Details 'Ralf W. Glaser' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5094 8 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 5094 _Software.ID 9 _Software.Type . _Software.Name MOLMOL _Software.Version 2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5094 9 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 5094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5094 _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 Varian INOVA . 750 . . . 5094 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 5094 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 3 clean-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 4 '3D 15N-1H-HSQC NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 5 '3D 15N-1H-HSQC TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 6 '2D 15N-1H-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5094 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . 5094 1 N 15 . . . . . . ppm . . . . . . . . . 5094 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 . 5094 1 2 DQF-COSY 1 $sample_1 . 5094 1 3 clean-TOCSY 1 $sample_1 . 5094 1 4 '3D 15N-1H-HSQC NOESY' 1 $sample_1 . 5094 1 5 '3D 15N-1H-HSQC TOCSY' 1 $sample_1 . 5094 1 6 '2D 15N-1H-HSQC' 1 $sample_1 . 5094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 TYR N N 15 121.91 . . . . . . . . . . . . 5094 1 2 . 1 1 4 4 TYR H H 1 8.40 . . . . . . . . . . . . 5094 1 3 . 1 1 4 4 TYR HA H 1 4.60 . . . . . . . . . . . . 5094 1 4 . 1 1 4 4 TYR HB2 H 1 3.08 . . . . . . . . . . . . 5094 1 5 . 1 1 4 4 TYR HB3 H 1 2.97 . . . . . . . . . . . . 5094 1 6 . 1 1 4 4 TYR HD1 H 1 7.10 . . . . . . . . . . . . 5094 1 7 . 1 1 4 4 TYR HD2 H 1 7.10 . . . . . . . . . . . . 5094 1 8 . 1 1 4 4 TYR HE1 H 1 6.80 . . . . . . . . . . . . 5094 1 9 . 1 1 4 4 TYR HE2 H 1 6.80 . . . . . . . . . . . . 5094 1 10 . 1 1 5 5 THR N N 15 117.20 . . . . . . . . . . . . 5094 1 11 . 1 1 5 5 THR H H 1 8.02 . . . . . . . . . . . . 5094 1 12 . 1 1 5 5 THR HA H 1 4.27 . . . . . . . . . . . . 5094 1 13 . 1 1 5 5 THR HB H 1 4.16 . . . . . . . . . . . . 5094 1 14 . 1 1 5 5 THR HG21 H 1 1.14 . . . . . . . . . . . . 5094 1 15 . 1 1 5 5 THR HG22 H 1 1.14 . . . . . . . . . . . . 5094 1 16 . 1 1 5 5 THR HG23 H 1 1.14 . . . . . . . . . . . . 5094 1 17 . 1 1 6 6 ASP N N 15 124.41 . . . . . . . . . . . . 5094 1 18 . 1 1 6 6 ASP H H 1 8.27 . . . . . . . . . . . . 5094 1 19 . 1 1 6 6 ASP HA H 1 4.54 . . . . . . . . . . . . 5094 1 20 . 1 1 6 6 ASP HB2 H 1 2.64 . . . . . . . . . . . . 5094 1 21 . 1 1 6 6 ASP HB3 H 1 2.64 . . . . . . . . . . . . 5094 1 22 . 1 1 7 7 LYS N N 15 122.49 . . . . . . . . . . . . 5094 1 23 . 1 1 7 7 LYS H H 1 8.14 . . . . . . . . . . . . 5094 1 24 . 1 1 7 7 LYS HA H 1 4.22 . . . . . . . . . . . . 5094 1 25 . 1 1 7 7 LYS HB2 H 1 1.62 . . . . . . . . . . . . 5094 1 26 . 1 1 7 7 LYS HB3 H 1 1.59 . . . . . . . . . . . . 5094 1 27 . 1 1 7 7 LYS HG2 H 1 1.23 . . . . . . . . . . . . 5094 1 28 . 1 1 7 7 LYS HG3 H 1 1.23 . . . . . . . . . . . . 5094 1 29 . 1 1 7 7 LYS HD2 H 1 3.07 . . . . . . . . . . . . 5094 1 30 . 1 1 7 7 LYS HD3 H 1 3.07 . . . . . . . . . . . . 5094 1 31 . 1 1 8 8 TYR N N 15 118.75 . . . . . . . . . . . . 5094 1 32 . 1 1 8 8 TYR H H 1 8.30 . . . . . . . . . . . . 5094 1 33 . 1 1 8 8 TYR HA H 1 4.49 . . . . . . . . . . . . 5094 1 34 . 1 1 8 8 TYR HB2 H 1 3.05 . . . . . . . . . . . . 5094 1 35 . 1 1 8 8 TYR HB3 H 1 2.90 . . . . . . . . . . . . 5094 1 36 . 1 1 8 8 TYR HD1 H 1 7.06 . . . . . . . . . . . . 5094 1 37 . 1 1 8 8 TYR HD2 H 1 7.06 . . . . . . . . . . . . 5094 1 38 . 1 1 8 8 TYR HE1 H 1 6.75 . . . . . . . . . . . . 5094 1 39 . 1 1 8 8 TYR HE2 H 1 6.75 . . . . . . . . . . . . 5094 1 40 . 1 1 9 9 ASP N N 15 124.64 . . . . . . . . . . . . 5094 1 41 . 1 1 9 9 ASP H H 1 7.76 . . . . . . . . . . . . 5094 1 42 . 1 1 9 9 ASP HA H 1 4.80 . . . . . . . . . . . . 5094 1 43 . 1 1 9 9 ASP HB2 H 1 2.50 . . . . . . . . . . . . 5094 1 44 . 1 1 9 9 ASP HB3 H 1 2.27 . . . . . . . . . . . . 5094 1 45 . 1 1 10 10 ASN N N 15 118.84 . . . . . . . . . . . . 5094 1 46 . 1 1 10 10 ASN H H 1 8.29 . . . . . . . . . . . . 5094 1 47 . 1 1 10 10 ASN HA H 1 4.59 . . . . . . . . . . . . 5094 1 48 . 1 1 10 10 ASN HB2 H 1 2.80 . . . . . . . . . . . . 5094 1 49 . 1 1 10 10 ASN HB3 H 1 2.70 . . . . . . . . . . . . 5094 1 50 . 1 1 10 10 ASN HD21 H 1 6.90 . . . . . . . . . . . . 5094 1 51 . 1 1 10 10 ASN HD22 H 1 7.65 . . . . . . . . . . . . 5094 1 52 . 1 1 10 10 ASN ND2 N 15 113.49 . . . . . . . . . . . . 5094 1 53 . 1 1 11 11 ILE N N 15 124.79 . . . . . . . . . . . . 5094 1 54 . 1 1 11 11 ILE H H 1 7.93 . . . . . . . . . . . . 5094 1 55 . 1 1 11 11 ILE HA H 1 3.99 . . . . . . . . . . . . 5094 1 56 . 1 1 11 11 ILE HB H 1 1.76 . . . . . . . . . . . . 5094 1 57 . 1 1 11 11 ILE HG12 H 1 1.07 . . . . . . . . . . . . 5094 1 58 . 1 1 11 11 ILE HG13 H 1 1.07 . . . . . . . . . . . . 5094 1 59 . 1 1 11 11 ILE HG21 H 1 0.76 . . . . . . . . . . . . 5094 1 60 . 1 1 11 11 ILE HG22 H 1 0.76 . . . . . . . . . . . . 5094 1 61 . 1 1 11 11 ILE HG23 H 1 0.76 . . . . . . . . . . . . 5094 1 62 . 1 1 12 12 ASN N N 15 123.21 . . . . . . . . . . . . 5094 1 63 . 1 1 12 12 ASN H H 1 8.47 . . . . . . . . . . . . 5094 1 64 . 1 1 12 12 ASN HA H 1 4.65 . . . . . . . . . . . . 5094 1 65 . 1 1 12 12 ASN HB2 H 1 2.92 . . . . . . . . . . . . 5094 1 66 . 1 1 12 12 ASN HB3 H 1 2.73 . . . . . . . . . . . . 5094 1 67 . 1 1 12 12 ASN HD21 H 1 7.17 . . . . . . . . . . . . 5094 1 68 . 1 1 12 12 ASN HD22 H 1 7.65 . . . . . . . . . . . . 5094 1 69 . 1 1 12 12 ASN ND2 N 15 114.49 . . . . . . . . . . . . 5094 1 70 . 1 1 13 13 LEU N N 15 122.41 . . . . . . . . . . . . 5094 1 71 . 1 1 13 13 LEU H H 1 8.31 . . . . . . . . . . . . 5094 1 72 . 1 1 13 13 LEU HA H 1 3.83 . . . . . . . . . . . . 5094 1 73 . 1 1 13 13 LEU HB2 H 1 1.60 . . . . . . . . . . . . 5094 1 74 . 1 1 13 13 LEU HB3 H 1 1.60 . . . . . . . . . . . . 5094 1 75 . 1 1 13 13 LEU HG H 1 1.34 . . . . . . . . . . . . 5094 1 76 . 1 1 13 13 LEU HD11 H 1 0.78 . . . . . . . . . . . . 5094 1 77 . 1 1 13 13 LEU HD12 H 1 0.78 . . . . . . . . . . . . 5094 1 78 . 1 1 13 13 LEU HD13 H 1 0.78 . . . . . . . . . . . . 5094 1 79 . 1 1 13 13 LEU HD21 H 1 0.67 . . . . . . . . . . . . 5094 1 80 . 1 1 13 13 LEU HD22 H 1 0.67 . . . . . . . . . . . . 5094 1 81 . 1 1 13 13 LEU HD23 H 1 0.67 . . . . . . . . . . . . 5094 1 82 . 1 1 14 14 ASP N N 15 118.85 . . . . . . . . . . . . 5094 1 83 . 1 1 14 14 ASP H H 1 8.10 . . . . . . . . . . . . 5094 1 84 . 1 1 14 14 ASP HA H 1 4.11 . . . . . . . . . . . . 5094 1 85 . 1 1 14 14 ASP HB2 H 1 2.75 . . . . . . . . . . . . 5094 1 86 . 1 1 14 14 ASP HB3 H 1 2.56 . . . . . . . . . . . . 5094 1 87 . 1 1 15 15 GLU N N 15 119.83 . . . . . . . . . . . . 5094 1 88 . 1 1 15 15 GLU H H 1 7.46 . . . . . . . . . . . . 5094 1 89 . 1 1 15 15 GLU HA H 1 3.98 . . . . . . . . . . . . 5094 1 90 . 1 1 15 15 GLU HB2 H 1 1.96 . . . . . . . . . . . . 5094 1 91 . 1 1 15 15 GLU HB3 H 1 1.96 . . . . . . . . . . . . 5094 1 92 . 1 1 15 15 GLU HG2 H 1 2.24 . . . . . . . . . . . . 5094 1 93 . 1 1 15 15 GLU HG3 H 1 2.18 . . . . . . . . . . . . 5094 1 94 . 1 1 16 16 ILE N N 15 120.26 . . . . . . . . . . . . 5094 1 95 . 1 1 16 16 ILE H H 1 7.34 . . . . . . . . . . . . 5094 1 96 . 1 1 16 16 ILE HA H 1 3.57 . . . . . . . . . . . . 5094 1 97 . 1 1 16 16 ILE HB H 1 1.60 . . . . . . . . . . . . 5094 1 98 . 1 1 16 16 ILE HG12 H 1 0.76 . . . . . . . . . . . . 5094 1 99 . 1 1 16 16 ILE HG13 H 1 0.76 . . . . . . . . . . . . 5094 1 100 . 1 1 16 16 ILE HG21 H 1 0.52 . . . . . . . . . . . . 5094 1 101 . 1 1 16 16 ILE HG22 H 1 0.52 . . . . . . . . . . . . 5094 1 102 . 1 1 16 16 ILE HG23 H 1 0.52 . . . . . . . . . . . . 5094 1 103 . 1 1 16 16 ILE HD11 H 1 0.32 . . . . . . . . . . . . 5094 1 104 . 1 1 16 16 ILE HD12 H 1 0.32 . . . . . . . . . . . . 5094 1 105 . 1 1 16 16 ILE HD13 H 1 0.32 . . . . . . . . . . . . 5094 1 106 . 1 1 17 17 LEU N N 15 119.02 . . . . . . . . . . . . 5094 1 107 . 1 1 17 17 LEU H H 1 7.57 . . . . . . . . . . . . 5094 1 108 . 1 1 17 17 LEU HA H 1 3.58 . . . . . . . . . . . . 5094 1 109 . 1 1 17 17 LEU HB2 H 1 2.07 . . . . . . . . . . . . 5094 1 110 . 1 1 17 17 LEU HB3 H 1 2.07 . . . . . . . . . . . . 5094 1 111 . 1 1 17 17 LEU HG H 1 1.50 . . . . . . . . . . . . 5094 1 112 . 1 1 17 17 LEU HD11 H 1 0.60 . . . . . . . . . . . . 5094 1 113 . 1 1 17 17 LEU HD12 H 1 0.60 . . . . . . . . . . . . 5094 1 114 . 1 1 17 17 LEU HD13 H 1 0.60 . . . . . . . . . . . . 5094 1 115 . 1 1 17 17 LEU HD21 H 1 0.39 . . . . . . . . . . . . 5094 1 116 . 1 1 17 17 LEU HD22 H 1 0.39 . . . . . . . . . . . . 5094 1 117 . 1 1 17 17 LEU HD23 H 1 0.39 . . . . . . . . . . . . 5094 1 118 . 1 1 18 18 ALA N N 15 121.15 . . . . . . . . . . . . 5094 1 119 . 1 1 18 18 ALA H H 1 7.19 . . . . . . . . . . . . 5094 1 120 . 1 1 18 18 ALA HA H 1 4.29 . . . . . . . . . . . . 5094 1 121 . 1 1 18 18 ALA HB1 H 1 1.42 . . . . . . . . . . . . 5094 1 122 . 1 1 18 18 ALA HB2 H 1 1.42 . . . . . . . . . . . . 5094 1 123 . 1 1 18 18 ALA HB3 H 1 1.42 . . . . . . . . . . . . 5094 1 124 . 1 1 19 19 ASN N N 15 119.06 . . . . . . . . . . . . 5094 1 125 . 1 1 19 19 ASN H H 1 7.32 . . . . . . . . . . . . 5094 1 126 . 1 1 19 19 ASN HA H 1 4.82 . . . . . . . . . . . . 5094 1 127 . 1 1 19 19 ASN HB2 H 1 2.98 . . . . . . . . . . . . 5094 1 128 . 1 1 19 19 ASN HB3 H 1 2.74 . . . . . . . . . . . . 5094 1 129 . 1 1 19 19 ASN HD21 H 1 6.98 . . . . . . . . . . . . 5094 1 130 . 1 1 19 19 ASN HD22 H 1 8.04 . . . . . . . . . . . . 5094 1 131 . 1 1 19 19 ASN ND2 N 15 115.30 . . . . . . . . . . . . 5094 1 132 . 1 1 20 20 LYS N N 15 117.36 . . . . . . . . . . . . 5094 1 133 . 1 1 20 20 LYS H H 1 8.16 . . . . . . . . . . . . 5094 1 134 . 1 1 20 20 LYS HA H 1 4.04 . . . . . . . . . . . . 5094 1 135 . 1 1 20 20 LYS HB2 H 1 1.90 . . . . . . . . . . . . 5094 1 136 . 1 1 20 20 LYS HB3 H 1 1.85 . . . . . . . . . . . . 5094 1 137 . 1 1 20 20 LYS HG2 H 1 1.73 . . . . . . . . . . . . 5094 1 138 . 1 1 20 20 LYS HG3 H 1 1.61 . . . . . . . . . . . . 5094 1 139 . 1 1 20 20 LYS HD2 H 1 0.91 . . . . . . . . . . . . 5094 1 140 . 1 1 20 20 LYS HD3 H 1 0.91 . . . . . . . . . . . . 5094 1 141 . 1 1 20 20 LYS HE2 H 1 3.24 . . . . . . . . . . . . 5094 1 142 . 1 1 20 20 LYS HE3 H 1 3.22 . . . . . . . . . . . . 5094 1 143 . 1 1 21 21 ARG N N 15 121.78 . . . . . . . . . . . . 5094 1 144 . 1 1 21 21 ARG H H 1 7.51 . . . . . . . . . . . . 5094 1 145 . 1 1 21 21 ARG HA H 1 4.22 . . . . . . . . . . . . 5094 1 146 . 1 1 21 21 ARG HB2 H 1 2.09 . . . . . . . . . . . . 5094 1 147 . 1 1 21 21 ARG HB3 H 1 2.07 . . . . . . . . . . . . 5094 1 148 . 1 1 21 21 ARG HG2 H 1 1.56 . . . . . . . . . . . . 5094 1 149 . 1 1 21 21 ARG HG3 H 1 1.52 . . . . . . . . . . . . 5094 1 150 . 1 1 22 22 LEU N N 15 124.71 . . . . . . . . . . . . 5094 1 151 . 1 1 22 22 LEU H H 1 8.54 . . . . . . . . . . . . 5094 1 152 . 1 1 22 22 LEU HA H 1 3.98 . . . . . . . . . . . . 5094 1 153 . 1 1 22 22 LEU HB2 H 1 2.18 . . . . . . . . . . . . 5094 1 154 . 1 1 22 22 LEU HB3 H 1 1.99 . . . . . . . . . . . . 5094 1 155 . 1 1 22 22 LEU HG H 1 1.77 . . . . . . . . . . . . 5094 1 156 . 1 1 22 22 LEU HD11 H 1 1.37 . . . . . . . . . . . . 5094 1 157 . 1 1 22 22 LEU HD12 H 1 1.37 . . . . . . . . . . . . 5094 1 158 . 1 1 22 22 LEU HD13 H 1 1.37 . . . . . . . . . . . . 5094 1 159 . 1 1 22 22 LEU HD21 H 1 0.97 . . . . . . . . . . . . 5094 1 160 . 1 1 22 22 LEU HD22 H 1 0.97 . . . . . . . . . . . . 5094 1 161 . 1 1 22 22 LEU HD23 H 1 0.97 . . . . . . . . . . . . 5094 1 162 . 1 1 23 23 LEU N N 15 125.99 . . . . . . . . . . . . 5094 1 163 . 1 1 23 23 LEU H H 1 8.42 . . . . . . . . . . . . 5094 1 164 . 1 1 23 23 LEU HA H 1 4.34 . . . . . . . . . . . . 5094 1 165 . 1 1 23 23 LEU HB2 H 1 1.87 . . . . . . . . . . . . 5094 1 166 . 1 1 23 23 LEU HB3 H 1 1.49 . . . . . . . . . . . . 5094 1 167 . 1 1 23 23 LEU HG H 1 1.17 . . . . . . . . . . . . 5094 1 168 . 1 1 23 23 LEU HD11 H 1 0.92 . . . . . . . . . . . . 5094 1 169 . 1 1 23 23 LEU HD12 H 1 0.92 . . . . . . . . . . . . 5094 1 170 . 1 1 23 23 LEU HD13 H 1 0.92 . . . . . . . . . . . . 5094 1 171 . 1 1 23 23 LEU HD21 H 1 0.84 . . . . . . . . . . . . 5094 1 172 . 1 1 23 23 LEU HD22 H 1 0.84 . . . . . . . . . . . . 5094 1 173 . 1 1 23 23 LEU HD23 H 1 0.84 . . . . . . . . . . . . 5094 1 174 . 1 1 24 24 VAL N N 15 119.72 . . . . . . . . . . . . 5094 1 175 . 1 1 24 24 VAL H H 1 8.57 . . . . . . . . . . . . 5094 1 176 . 1 1 24 24 VAL HA H 1 3.46 . . . . . . . . . . . . 5094 1 177 . 1 1 24 24 VAL HB H 1 2.08 . . . . . . . . . . . . 5094 1 178 . 1 1 24 24 VAL HG11 H 1 1.06 . . . . . . . . . . . . 5094 1 179 . 1 1 24 24 VAL HG12 H 1 1.06 . . . . . . . . . . . . 5094 1 180 . 1 1 24 24 VAL HG13 H 1 1.06 . . . . . . . . . . . . 5094 1 181 . 1 1 24 24 VAL HG21 H 1 0.92 . . . . . . . . . . . . 5094 1 182 . 1 1 24 24 VAL HG22 H 1 0.92 . . . . . . . . . . . . 5094 1 183 . 1 1 24 24 VAL HG23 H 1 0.92 . . . . . . . . . . . . 5094 1 184 . 1 1 25 25 ALA N N 15 123.01 . . . . . . . . . . . . 5094 1 185 . 1 1 25 25 ALA H H 1 7.46 . . . . . . . . . . . . 5094 1 186 . 1 1 25 25 ALA HA H 1 4.15 . . . . . . . . . . . . 5094 1 187 . 1 1 25 25 ALA HB1 H 1 1.57 . . . . . . . . . . . . 5094 1 188 . 1 1 25 25 ALA HB2 H 1 1.57 . . . . . . . . . . . . 5094 1 189 . 1 1 25 25 ALA HB3 H 1 1.57 . . . . . . . . . . . . 5094 1 190 . 1 1 26 26 TYR N N 15 122.17 . . . . . . . . . . . . 5094 1 191 . 1 1 26 26 TYR H H 1 8.42 . . . . . . . . . . . . 5094 1 192 . 1 1 26 26 TYR HA H 1 4.34 . . . . . . . . . . . . 5094 1 193 . 1 1 26 26 TYR HB2 H 1 3.17 . . . . . . . . . . . . 5094 1 194 . 1 1 26 26 TYR HB3 H 1 2.93 . . . . . . . . . . . . 5094 1 195 . 1 1 26 26 TYR HD1 H 1 7.01 . . . . . . . . . . . . 5094 1 196 . 1 1 26 26 TYR HD2 H 1 7.01 . . . . . . . . . . . . 5094 1 197 . 1 1 26 26 TYR HE1 H 1 6.67 . . . . . . . . . . . . 5094 1 198 . 1 1 26 26 TYR HE2 H 1 6.67 . . . . . . . . . . . . 5094 1 199 . 1 1 27 27 VAL N N 15 122.93 . . . . . . . . . . . . 5094 1 200 . 1 1 27 27 VAL H H 1 9.17 . . . . . . . . . . . . 5094 1 201 . 1 1 27 27 VAL HA H 1 3.18 . . . . . . . . . . . . 5094 1 202 . 1 1 27 27 VAL HB H 1 2.19 . . . . . . . . . . . . 5094 1 203 . 1 1 27 27 VAL HG11 H 1 0.98 . . . . . . . . . . . . 5094 1 204 . 1 1 27 27 VAL HG12 H 1 0.98 . . . . . . . . . . . . 5094 1 205 . 1 1 27 27 VAL HG13 H 1 0.98 . . . . . . . . . . . . 5094 1 206 . 1 1 27 27 VAL HG21 H 1 0.87 . . . . . . . . . . . . 5094 1 207 . 1 1 27 27 VAL HG22 H 1 0.87 . . . . . . . . . . . . 5094 1 208 . 1 1 27 27 VAL HG23 H 1 0.87 . . . . . . . . . . . . 5094 1 209 . 1 1 28 28 ASN N N 15 123.34 . . . . . . . . . . . . 5094 1 210 . 1 1 28 28 ASN H H 1 8.78 . . . . . . . . . . . . 5094 1 211 . 1 1 28 28 ASN HA H 1 4.29 . . . . . . . . . . . . 5094 1 212 . 1 1 28 28 ASN HB2 H 1 3.18 . . . . . . . . . . . . 5094 1 213 . 1 1 28 28 ASN HB3 H 1 2.93 . . . . . . . . . . . . 5094 1 214 . 1 1 28 28 ASN HD21 H 1 7.15 . . . . . . . . . . . . 5094 1 215 . 1 1 28 28 ASN HD22 H 1 7.60 . . . . . . . . . . . . 5094 1 216 . 1 1 28 28 ASN ND2 N 15 113.25 . . . . . . . . . . . . 5094 1 217 . 1 1 29 29 CYS N N 15 120.23 . . . . . . . . . . . . 5094 1 218 . 1 1 29 29 CYS H H 1 7.40 . . . . . . . . . . . . 5094 1 219 . 1 1 29 29 CYS HA H 1 4.46 . . . . . . . . . . . . 5094 1 220 . 1 1 29 29 CYS HB2 H 1 3.55 . . . . . . . . . . . . 5094 1 221 . 1 1 29 29 CYS HB3 H 1 3.42 . . . . . . . . . . . . 5094 1 222 . 1 1 30 30 VAL N N 15 124.15 . . . . . . . . . . . . 5094 1 223 . 1 1 30 30 VAL H H 1 8.27 . . . . . . . . . . . . 5094 1 224 . 1 1 30 30 VAL HA H 1 3.41 . . . . . . . . . . . . 5094 1 225 . 1 1 30 30 VAL HB H 1 2.14 . . . . . . . . . . . . 5094 1 226 . 1 1 30 30 VAL HG11 H 1 0.87 . . . . . . . . . . . . 5094 1 227 . 1 1 30 30 VAL HG12 H 1 0.87 . . . . . . . . . . . . 5094 1 228 . 1 1 30 30 VAL HG13 H 1 0.87 . . . . . . . . . . . . 5094 1 229 . 1 1 30 30 VAL HG21 H 1 0.70 . . . . . . . . . . . . 5094 1 230 . 1 1 30 30 VAL HG22 H 1 0.70 . . . . . . . . . . . . 5094 1 231 . 1 1 30 30 VAL HG23 H 1 0.70 . . . . . . . . . . . . 5094 1 232 . 1 1 31 31 MET N N 15 116.88 . . . . . . . . . . . . 5094 1 233 . 1 1 31 31 MET H H 1 8.47 . . . . . . . . . . . . 5094 1 234 . 1 1 31 31 MET HA H 1 4.55 . . . . . . . . . . . . 5094 1 235 . 1 1 31 31 MET HB2 H 1 1.96 . . . . . . . . . . . . 5094 1 236 . 1 1 31 31 MET HB3 H 1 1.96 . . . . . . . . . . . . 5094 1 237 . 1 1 31 31 MET HG2 H 1 2.42 . . . . . . . . . . . . 5094 1 238 . 1 1 31 31 MET HG3 H 1 2.26 . . . . . . . . . . . . 5094 1 239 . 1 1 32 32 GLU N N 15 116.31 . . . . . . . . . . . . 5094 1 240 . 1 1 32 32 GLU H H 1 7.89 . . . . . . . . . . . . 5094 1 241 . 1 1 32 32 GLU HA H 1 4.28 . . . . . . . . . . . . 5094 1 242 . 1 1 32 32 GLU HB2 H 1 2.24 . . . . . . . . . . . . 5094 1 243 . 1 1 32 32 GLU HB3 H 1 2.24 . . . . . . . . . . . . 5094 1 244 . 1 1 33 33 ARG N N 15 119.10 . . . . . . . . . . . . 5094 1 245 . 1 1 33 33 ARG H H 1 8.59 . . . . . . . . . . . . 5094 1 246 . 1 1 33 33 ARG HA H 1 4.69 . . . . . . . . . . . . 5094 1 247 . 1 1 33 33 ARG HB2 H 1 1.75 . . . . . . . . . . . . 5094 1 248 . 1 1 33 33 ARG HB3 H 1 1.70 . . . . . . . . . . . . 5094 1 249 . 1 1 33 33 ARG HG2 H 1 1.50 . . . . . . . . . . . . 5094 1 250 . 1 1 33 33 ARG HG3 H 1 1.41 . . . . . . . . . . . . 5094 1 251 . 1 1 33 33 ARG HD2 H 1 3.09 . . . . . . . . . . . . 5094 1 252 . 1 1 33 33 ARG HD3 H 1 3.09 . . . . . . . . . . . . 5094 1 253 . 1 1 34 34 GLY N N 15 108.86 . . . . . . . . . . . . 5094 1 254 . 1 1 34 34 GLY H H 1 7.23 . . . . . . . . . . . . 5094 1 255 . 1 1 34 34 GLY HA2 H 1 3.70 . . . . . . . . . . . . 5094 1 256 . 1 1 34 34 GLY HA3 H 1 4.17 . . . . . . . . . . . . 5094 1 257 . 1 1 35 35 LYS N N 15 120.47 . . . . . . . . . . . . 5094 1 258 . 1 1 35 35 LYS H H 1 8.41 . . . . . . . . . . . . 5094 1 259 . 1 1 35 35 LYS HA H 1 4.19 . . . . . . . . . . . . 5094 1 260 . 1 1 35 35 LYS HB2 H 1 1.75 . . . . . . . . . . . . 5094 1 261 . 1 1 35 35 LYS HB3 H 1 1.75 . . . . . . . . . . . . 5094 1 262 . 1 1 35 35 LYS HG2 H 1 1.39 . . . . . . . . . . . . 5094 1 263 . 1 1 35 35 LYS HG3 H 1 1.39 . . . . . . . . . . . . 5094 1 264 . 1 1 35 35 LYS HD2 H 1 2.97 . . . . . . . . . . . . 5094 1 265 . 1 1 35 35 LYS HD3 H 1 2.97 . . . . . . . . . . . . 5094 1 266 . 1 1 36 36 CYS N N 15 112.61 . . . . . . . . . . . . 5094 1 267 . 1 1 36 36 CYS H H 1 7.48 . . . . . . . . . . . . 5094 1 268 . 1 1 36 36 CYS HA H 1 3.89 . . . . . . . . . . . . 5094 1 269 . 1 1 36 36 CYS HB2 H 1 2.23 . . . . . . . . . . . . 5094 1 270 . 1 1 36 36 CYS HB3 H 1 1.94 . . . . . . . . . . . . 5094 1 271 . 1 1 37 37 SER N N 15 117.60 . . . . . . . . . . . . 5094 1 272 . 1 1 37 37 SER H H 1 7.31 . . . . . . . . . . . . 5094 1 273 . 1 1 37 37 SER HA H 1 4.58 . . . . . . . . . . . . 5094 1 274 . 1 1 37 37 SER HB2 H 1 3.21 . . . . . . . . . . . . 5094 1 275 . 1 1 37 37 SER HB3 H 1 3.21 . . . . . . . . . . . . 5094 1 276 . 1 1 38 38 PRO HA H 1 4.05 . . . . . . . . . . . . 5094 1 277 . 1 1 38 38 PRO HB2 H 1 1.83 . . . . . . . . . . . . 5094 1 278 . 1 1 38 38 PRO HB3 H 1 1.70 . . . . . . . . . . . . 5094 1 279 . 1 1 38 38 PRO HG2 H 1 1.42 . . . . . . . . . . . . 5094 1 280 . 1 1 38 38 PRO HG3 H 1 1.31 . . . . . . . . . . . . 5094 1 281 . 1 1 38 38 PRO HD2 H 1 3.64 . . . . . . . . . . . . 5094 1 282 . 1 1 38 38 PRO HD3 H 1 3.27 . . . . . . . . . . . . 5094 1 283 . 1 1 39 39 GLU N N 15 118.97 . . . . . . . . . . . . 5094 1 284 . 1 1 39 39 GLU H H 1 9.19 . . . . . . . . . . . . 5094 1 285 . 1 1 39 39 GLU HA H 1 4.06 . . . . . . . . . . . . 5094 1 286 . 1 1 39 39 GLU HB2 H 1 2.40 . . . . . . . . . . . . 5094 1 287 . 1 1 39 39 GLU HB3 H 1 2.20 . . . . . . . . . . . . 5094 1 288 . 1 1 39 39 GLU HG2 H 1 2.01 . . . . . . . . . . . . 5094 1 289 . 1 1 39 39 GLU HG3 H 1 1.90 . . . . . . . . . . . . 5094 1 290 . 1 1 40 40 GLY N N 15 124.57 . . . . . . . . . . . . 5094 1 291 . 1 1 40 40 GLY H H 1 8.19 . . . . . . . . . . . . 5094 1 292 . 1 1 40 40 GLY HA2 H 1 3.75 . . . . . . . . . . . . 5094 1 293 . 1 1 40 40 GLY HA3 H 1 3.92 . . . . . . . . . . . . 5094 1 294 . 1 1 41 41 LYS N N 15 124.87 . . . . . . . . . . . . 5094 1 295 . 1 1 41 41 LYS H H 1 8.51 . . . . . . . . . . . . 5094 1 296 . 1 1 41 41 LYS HA H 1 3.84 . . . . . . . . . . . . 5094 1 297 . 1 1 41 41 LYS HG2 H 1 1.67 . . . . . . . . . . . . 5094 1 298 . 1 1 41 41 LYS HG3 H 1 1.67 . . . . . . . . . . . . 5094 1 299 . 1 1 41 41 LYS HD2 H 1 1.39 . . . . . . . . . . . . 5094 1 300 . 1 1 41 41 LYS HD3 H 1 1.39 . . . . . . . . . . . . 5094 1 301 . 1 1 42 42 GLU N N 15 121.66 . . . . . . . . . . . . 5094 1 302 . 1 1 42 42 GLU H H 1 7.38 . . . . . . . . . . . . 5094 1 303 . 1 1 42 42 GLU HA H 1 4.02 . . . . . . . . . . . . 5094 1 304 . 1 1 42 42 GLU HB2 H 1 2.16 . . . . . . . . . . . . 5094 1 305 . 1 1 42 42 GLU HB3 H 1 1.94 . . . . . . . . . . . . 5094 1 306 . 1 1 42 42 GLU HG2 H 1 2.28 . . . . . . . . . . . . 5094 1 307 . 1 1 42 42 GLU HG3 H 1 2.15 . . . . . . . . . . . . 5094 1 308 . 1 1 43 43 LEU N N 15 119.85 . . . . . . . . . . . . 5094 1 309 . 1 1 43 43 LEU H H 1 7.80 . . . . . . . . . . . . 5094 1 310 . 1 1 43 43 LEU HA H 1 4.01 . . . . . . . . . . . . 5094 1 311 . 1 1 43 43 LEU HB2 H 1 2.38 . . . . . . . . . . . . 5094 1 312 . 1 1 43 43 LEU HB3 H 1 2.18 . . . . . . . . . . . . 5094 1 313 . 1 1 43 43 LEU HG H 1 1.77 . . . . . . . . . . . . 5094 1 314 . 1 1 43 43 LEU HD11 H 1 0.95 . . . . . . . . . . . . 5094 1 315 . 1 1 43 43 LEU HD12 H 1 0.95 . . . . . . . . . . . . 5094 1 316 . 1 1 43 43 LEU HD13 H 1 0.95 . . . . . . . . . . . . 5094 1 317 . 1 1 43 43 LEU HD21 H 1 0.95 . . . . . . . . . . . . 5094 1 318 . 1 1 43 43 LEU HD22 H 1 0.95 . . . . . . . . . . . . 5094 1 319 . 1 1 43 43 LEU HD23 H 1 0.95 . . . . . . . . . . . . 5094 1 320 . 1 1 44 44 LYS N N 15 115.43 . . . . . . . . . . . . 5094 1 321 . 1 1 44 44 LYS H H 1 8.66 . . . . . . . . . . . . 5094 1 322 . 1 1 44 44 LYS HA H 1 3.86 . . . . . . . . . . . . 5094 1 323 . 1 1 45 45 GLU N N 15 117.57 . . . . . . . . . . . . 5094 1 324 . 1 1 45 45 GLU H H 1 7.77 . . . . . . . . . . . . 5094 1 325 . 1 1 45 45 GLU HA H 1 5.46 . . . . . . . . . . . . 5094 1 326 . 1 1 45 45 GLU HB2 H 1 2.04 . . . . . . . . . . . . 5094 1 327 . 1 1 45 45 GLU HB3 H 1 2.04 . . . . . . . . . . . . 5094 1 328 . 1 1 45 45 GLU HG2 H 1 1.68 . . . . . . . . . . . . 5094 1 329 . 1 1 45 45 GLU HG3 H 1 1.62 . . . . . . . . . . . . 5094 1 330 . 1 1 46 46 HIS N N 15 113.35 . . . . . . . . . . . . 5094 1 331 . 1 1 46 46 HIS H H 1 7.77 . . . . . . . . . . . . 5094 1 332 . 1 1 46 46 HIS HA H 1 5.24 . . . . . . . . . . . . 5094 1 333 . 1 1 46 46 HIS HB2 H 1 2.89 . . . . . . . . . . . . 5094 1 334 . 1 1 46 46 HIS HB3 H 1 2.81 . . . . . . . . . . . . 5094 1 335 . 1 1 46 46 HIS HD2 H 1 7.93 . . . . . . . . . . . . 5094 1 336 . 1 1 46 46 HIS HE1 H 1 7.14 . . . . . . . . . . . . 5094 1 337 . 1 1 46 46 HIS ND1 N 15 118.54 . . . . . . . . . . . . 5094 1 338 . 1 1 47 47 LEU N N 15 121.65 . . . . . . . . . . . . 5094 1 339 . 1 1 47 47 LEU H H 1 8.64 . . . . . . . . . . . . 5094 1 340 . 1 1 47 47 LEU HA H 1 4.64 . . . . . . . . . . . . 5094 1 341 . 1 1 47 47 LEU HB2 H 1 2.66 . . . . . . . . . . . . 5094 1 342 . 1 1 47 47 LEU HB3 H 1 2.56 . . . . . . . . . . . . 5094 1 343 . 1 1 47 47 LEU HG H 1 2.106 . . . . . . . . . . . . 5094 1 344 . 1 1 48 48 GLN N N 15 119.24 . . . . . . . . . . . . 5094 1 345 . 1 1 48 48 GLN H H 1 8.59 . . . . . . . . . . . . 5094 1 346 . 1 1 48 48 GLN HA H 1 4.29 . . . . . . . . . . . . 5094 1 347 . 1 1 49 49 ASP N N 15 123.56 . . . . . . . . . . . . 5094 1 348 . 1 1 49 49 ASP H H 1 8.33 . . . . . . . . . . . . 5094 1 349 . 1 1 49 49 ASP HA H 1 4.05 . . . . . . . . . . . . 5094 1 350 . 1 1 50 50 ALA N N 15 125.38 . . . . . . . . . . . . 5094 1 351 . 1 1 50 50 ALA H H 1 8.61 . . . . . . . . . . . . 5094 1 352 . 1 1 50 50 ALA HA H 1 3.94 . . . . . . . . . . . . 5094 1 353 . 1 1 50 50 ALA HB1 H 1 1.509 . . . . . . . . . . . . 5094 1 354 . 1 1 50 50 ALA HB2 H 1 1.509 . . . . . . . . . . . . 5094 1 355 . 1 1 50 50 ALA HB3 H 1 1.509 . . . . . . . . . . . . 5094 1 356 . 1 1 51 51 ILE N N 15 120.11 . . . . . . . . . . . . 5094 1 357 . 1 1 51 51 ILE H H 1 8.60 . . . . . . . . . . . . 5094 1 358 . 1 1 51 51 ILE HA H 1 3.18 . . . . . . . . . . . . 5094 1 359 . 1 1 53 53 ASN N N 15 114.00 . . . . . . . . . . . . 5094 1 360 . 1 1 53 53 ASN H H 1 7.62 . . . . . . . . . . . . 5094 1 361 . 1 1 53 53 ASN HA H 1 4.76 . . . . . . . . . . . . 5094 1 362 . 1 1 53 53 ASN HB2 H 1 3.23 . . . . . . . . . . . . 5094 1 363 . 1 1 53 53 ASN HB3 H 1 2.56 . . . . . . . . . . . . 5094 1 364 . 1 1 53 53 ASN HD21 H 1 6.70 . . . . . . . . . . . . 5094 1 365 . 1 1 53 53 ASN HD22 H 1 7.26 . . . . . . . . . . . . 5094 1 366 . 1 1 53 53 ASN ND2 N 15 114.48 . . . . . . . . . . . . 5094 1 367 . 1 1 54 54 GLY N N 15 109.94 . . . . . . . . . . . . 5094 1 368 . 1 1 54 54 GLY H H 1 6.31 . . . . . . . . . . . . 5094 1 369 . 1 1 54 54 GLY HA2 H 1 3.08 . . . . . . . . . . . . 5094 1 370 . 1 1 54 54 GLY HA3 H 1 3.18 . . . . . . . . . . . . 5094 1 371 . 1 1 55 55 CYS N N 15 122.78 . . . . . . . . . . . . 5094 1 372 . 1 1 55 55 CYS H H 1 8.67 . . . . . . . . . . . . 5094 1 373 . 1 1 55 55 CYS HA H 1 4.29 . . . . . . . . . . . . 5094 1 374 . 1 1 55 55 CYS HB2 H 1 3.04 . . . . . . . . . . . . 5094 1 375 . 1 1 55 55 CYS HB3 H 1 3.01 . . . . . . . . . . . . 5094 1 376 . 1 1 56 56 LYS N N 15 118.46 . . . . . . . . . . . . 5094 1 377 . 1 1 56 56 LYS H H 1 7.18 . . . . . . . . . . . . 5094 1 378 . 1 1 56 56 LYS HA H 1 3.93 . . . . . . . . . . . . 5094 1 379 . 1 1 56 56 LYS HB2 H 1 1.87 . . . . . . . . . . . . 5094 1 380 . 1 1 56 56 LYS HB3 H 1 1.85 . . . . . . . . . . . . 5094 1 381 . 1 1 56 56 LYS HG2 H 1 1.91 . . . . . . . . . . . . 5094 1 382 . 1 1 56 56 LYS HG3 H 1 1.91 . . . . . . . . . . . . 5094 1 383 . 1 1 56 56 LYS HD2 H 1 3.23 . . . . . . . . . . . . 5094 1 384 . 1 1 56 56 LYS HD3 H 1 3.23 . . . . . . . . . . . . 5094 1 385 . 1 1 57 57 LYS N N 15 119.00 . . . . . . . . . . . . 5094 1 386 . 1 1 57 57 LYS H H 1 9.51 . . . . . . . . . . . . 5094 1 387 . 1 1 57 57 LYS HA H 1 4.42 . . . . . . . . . . . . 5094 1 388 . 1 1 57 57 LYS HB2 H 1 1.91 . . . . . . . . . . . . 5094 1 389 . 1 1 57 57 LYS HB3 H 1 1.67 . . . . . . . . . . . . 5094 1 390 . 1 1 57 57 LYS HG2 H 1 1.37 . . . . . . . . . . . . 5094 1 391 . 1 1 57 57 LYS HG3 H 1 1.37 . . . . . . . . . . . . 5094 1 392 . 1 1 57 57 LYS HD2 H 1 2.96 . . . . . . . . . . . . 5094 1 393 . 1 1 57 57 LYS HD3 H 1 2.96 . . . . . . . . . . . . 5094 1 394 . 1 1 58 58 CYS N N 15 120.79 . . . . . . . . . . . . 5094 1 395 . 1 1 58 58 CYS H H 1 7.44 . . . . . . . . . . . . 5094 1 396 . 1 1 58 58 CYS HA H 1 4.42 . . . . . . . . . . . . 5094 1 397 . 1 1 58 58 CYS HB2 H 1 3.37 . . . . . . . . . . . . 5094 1 398 . 1 1 58 58 CYS HB3 H 1 3.13 . . . . . . . . . . . . 5094 1 399 . 1 1 59 59 THR N N 15 116.44 . . . . . . . . . . . . 5094 1 400 . 1 1 59 59 THR H H 1 8.51 . . . . . . . . . . . . 5094 1 401 . 1 1 59 59 THR HA H 1 4.14 . . . . . . . . . . . . 5094 1 402 . 1 1 59 59 THR HB H 1 4.48 . . . . . . . . . . . . 5094 1 403 . 1 1 59 59 THR HG21 H 1 1.25 . . . . . . . . . . . . 5094 1 404 . 1 1 59 59 THR HG22 H 1 1.25 . . . . . . . . . . . . 5094 1 405 . 1 1 59 59 THR HG23 H 1 1.25 . . . . . . . . . . . . 5094 1 406 . 1 1 60 60 GLU N N 15 123.32 . . . . . . . . . . . . 5094 1 407 . 1 1 60 60 GLU H H 1 9.00 . . . . . . . . . . . . 5094 1 408 . 1 1 60 60 GLU HA H 1 4.12 . . . . . . . . . . . . 5094 1 409 . 1 1 60 60 GLU HB2 H 1 3.10 . . . . . . . . . . . . 5094 1 410 . 1 1 60 60 GLU HB3 H 1 2.00 . . . . . . . . . . . . 5094 1 411 . 1 1 60 60 GLU HG2 H 1 2.37 . . . . . . . . . . . . 5094 1 412 . 1 1 60 60 GLU HG3 H 1 2.19 . . . . . . . . . . . . 5094 1 413 . 1 1 61 61 ASN N N 15 120.05 . . . . . . . . . . . . 5094 1 414 . 1 1 61 61 ASN H H 1 8.78 . . . . . . . . . . . . 5094 1 415 . 1 1 61 61 ASN HA H 1 4.45 . . . . . . . . . . . . 5094 1 416 . 1 1 61 61 ASN HB2 H 1 2.73 . . . . . . . . . . . . 5094 1 417 . 1 1 61 61 ASN HB3 H 1 2.65 . . . . . . . . . . . . 5094 1 418 . 1 1 61 61 ASN HD21 H 1 7.43 . . . . . . . . . . . . 5094 1 419 . 1 1 61 61 ASN HD22 H 1 7.36 . . . . . . . . . . . . 5094 1 420 . 1 1 61 61 ASN ND2 N 15 114.49 . . . . . . . . . . . . 5094 1 421 . 1 1 62 62 GLN N N 15 122.30 . . . . . . . . . . . . 5094 1 422 . 1 1 62 62 GLN H H 1 7.58 . . . . . . . . . . . . 5094 1 423 . 1 1 62 62 GLN HA H 1 3.86 . . . . . . . . . . . . 5094 1 424 . 1 1 62 62 GLN HB2 H 1 2.12 . . . . . . . . . . . . 5094 1 425 . 1 1 62 62 GLN HB3 H 1 1.93 . . . . . . . . . . . . 5094 1 426 . 1 1 62 62 GLN HG2 H 1 2.34 . . . . . . . . . . . . 5094 1 427 . 1 1 62 62 GLN HG3 H 1 2.29 . . . . . . . . . . . . 5094 1 428 . 1 1 62 62 GLN HE21 H 1 7.33 . . . . . . . . . . . . 5094 1 429 . 1 1 62 62 GLN HE22 H 1 6.80 . . . . . . . . . . . . 5094 1 430 . 1 1 62 62 GLN NE2 N 15 111.41 . . . . . . . . . . . . 5094 1 431 . 1 1 63 63 GLU N N 15 123.46 . . . . . . . . . . . . 5094 1 432 . 1 1 63 63 GLU H H 1 8.69 . . . . . . . . . . . . 5094 1 433 . 1 1 63 63 GLU HA H 1 4.15 . . . . . . . . . . . . 5094 1 434 . 1 1 63 63 GLU HB2 H 1 1.94 . . . . . . . . . . . . 5094 1 435 . 1 1 63 63 GLU HB3 H 1 1.91 . . . . . . . . . . . . 5094 1 436 . 1 1 63 63 GLU HG2 H 1 2.31 . . . . . . . . . . . . 5094 1 437 . 1 1 63 63 GLU HG3 H 1 2.19 . . . . . . . . . . . . 5094 1 438 . 1 1 64 64 LYS N N 15 119.92 . . . . . . . . . . . . 5094 1 439 . 1 1 64 64 LYS H H 1 8.01 . . . . . . . . . . . . 5094 1 440 . 1 1 64 64 LYS HA H 1 4.00 . . . . . . . . . . . . 5094 1 441 . 1 1 64 64 LYS HB2 H 1 1.92 . . . . . . . . . . . . 5094 1 442 . 1 1 64 64 LYS HB3 H 1 1.76 . . . . . . . . . . . . 5094 1 443 . 1 1 64 64 LYS HG2 H 1 1.68 . . . . . . . . . . . . 5094 1 444 . 1 1 64 64 LYS HG3 H 1 1.68 . . . . . . . . . . . . 5094 1 445 . 1 1 64 64 LYS HD2 H 1 1.46 . . . . . . . . . . . . 5094 1 446 . 1 1 64 64 LYS HD3 H 1 1.46 . . . . . . . . . . . . 5094 1 447 . 1 1 64 64 LYS HE2 H 1 2.97 . . . . . . . . . . . . 5094 1 448 . 1 1 64 64 LYS HE3 H 1 2.63 . . . . . . . . . . . . 5094 1 449 . 1 1 65 65 GLY N N 15 108.75 . . . . . . . . . . . . 5094 1 450 . 1 1 65 65 GLY H H 1 7.83 . . . . . . . . . . . . 5094 1 451 . 1 1 65 65 GLY HA2 H 1 3.83 . . . . . . . . . . . . 5094 1 452 . 1 1 65 65 GLY HA3 H 1 3.83 . . . . . . . . . . . . 5094 1 453 . 1 1 66 66 ALA N N 15 124.42 . . . . . . . . . . . . 5094 1 454 . 1 1 66 66 ALA H H 1 7.96 . . . . . . . . . . . . 5094 1 455 . 1 1 66 66 ALA HA H 1 3.99 . . . . . . . . . . . . 5094 1 456 . 1 1 66 66 ALA HB1 H 1 1.31 . . . . . . . . . . . . 5094 1 457 . 1 1 66 66 ALA HB2 H 1 1.31 . . . . . . . . . . . . 5094 1 458 . 1 1 66 66 ALA HB3 H 1 1.31 . . . . . . . . . . . . 5094 1 459 . 1 1 67 67 TYR N N 15 128.62 . . . . . . . . . . . . 5094 1 460 . 1 1 67 67 TYR H H 1 8.82 . . . . . . . . . . . . 5094 1 461 . 1 1 67 67 TYR HA H 1 3.98 . . . . . . . . . . . . 5094 1 462 . 1 1 67 67 TYR HB2 H 1 3.20 . . . . . . . . . . . . 5094 1 463 . 1 1 67 67 TYR HB3 H 1 2.92 . . . . . . . . . . . . 5094 1 464 . 1 1 67 67 TYR HD1 H 1 7.00 . . . . . . . . . . . . 5094 1 465 . 1 1 67 67 TYR HD2 H 1 7.00 . . . . . . . . . . . . 5094 1 466 . 1 1 67 67 TYR HE1 H 1 6.72 . . . . . . . . . . . . 5094 1 467 . 1 1 67 67 TYR HE2 H 1 6.72 . . . . . . . . . . . . 5094 1 468 . 1 1 68 68 ARG N N 15 119.96 . . . . . . . . . . . . 5094 1 469 . 1 1 68 68 ARG H H 1 7.93 . . . . . . . . . . . . 5094 1 470 . 1 1 68 68 ARG HA H 1 3.80 . . . . . . . . . . . . 5094 1 471 . 1 1 68 68 ARG HB2 H 1 1.99 . . . . . . . . . . . . 5094 1 472 . 1 1 68 68 ARG HB3 H 1 1.91 . . . . . . . . . . . . 5094 1 473 . 1 1 68 68 ARG HG2 H 1 1.76 . . . . . . . . . . . . 5094 1 474 . 1 1 68 68 ARG HG3 H 1 1.76 . . . . . . . . . . . . 5094 1 475 . 1 1 68 68 ARG HD2 H 1 3.24 . . . . . . . . . . . . 5094 1 476 . 1 1 68 68 ARG HD3 H 1 3.00 . . . . . . . . . . . . 5094 1 477 . 1 1 69 69 VAL N N 15 119.12 . . . . . . . . . . . . 5094 1 478 . 1 1 69 69 VAL H H 1 7.27 . . . . . . . . . . . . 5094 1 479 . 1 1 69 69 VAL HA H 1 3.53 . . . . . . . . . . . . 5094 1 480 . 1 1 69 69 VAL HB H 1 2.29 . . . . . . . . . . . . 5094 1 481 . 1 1 69 69 VAL HG11 H 1 1.02 . . . . . . . . . . . . 5094 1 482 . 1 1 69 69 VAL HG12 H 1 1.02 . . . . . . . . . . . . 5094 1 483 . 1 1 69 69 VAL HG13 H 1 1.02 . . . . . . . . . . . . 5094 1 484 . 1 1 69 69 VAL HG21 H 1 0.84 . . . . . . . . . . . . 5094 1 485 . 1 1 69 69 VAL HG22 H 1 0.84 . . . . . . . . . . . . 5094 1 486 . 1 1 69 69 VAL HG23 H 1 0.84 . . . . . . . . . . . . 5094 1 487 . 1 1 70 70 ILE N N 15 112.94 . . . . . . . . . . . . 5094 1 488 . 1 1 70 70 ILE H H 1 8.23 . . . . . . . . . . . . 5094 1 489 . 1 1 70 70 ILE HA H 1 3.07 . . . . . . . . . . . . 5094 1 490 . 1 1 70 70 ILE HB H 1 1.50 . . . . . . . . . . . . 5094 1 491 . 1 1 70 70 ILE HG12 H 1 0.23 . . . . . . . . . . . . 5094 1 492 . 1 1 70 70 ILE HG13 H 1 0.08 . . . . . . . . . . . . 5094 1 493 . 1 1 70 70 ILE HG21 H 1 0.05 . . . . . . . . . . . . 5094 1 494 . 1 1 70 70 ILE HG22 H 1 0.05 . . . . . . . . . . . . 5094 1 495 . 1 1 70 70 ILE HG23 H 1 0.05 . . . . . . . . . . . . 5094 1 496 . 1 1 70 70 ILE HD11 H 1 0.77 . . . . . . . . . . . . 5094 1 497 . 1 1 70 70 ILE HD12 H 1 0.77 . . . . . . . . . . . . 5094 1 498 . 1 1 70 70 ILE HD13 H 1 0.77 . . . . . . . . . . . . 5094 1 499 . 1 1 71 71 GLU N N 15 117.93 . . . . . . . . . . . . 5094 1 500 . 1 1 71 71 GLU H H 1 8.78 . . . . . . . . . . . . 5094 1 501 . 1 1 71 71 GLU HA H 1 4.17 . . . . . . . . . . . . 5094 1 502 . 1 1 71 71 GLU HB2 H 1 1.75 . . . . . . . . . . . . 5094 1 503 . 1 1 71 71 GLU HB3 H 1 1.75 . . . . . . . . . . . . 5094 1 504 . 1 1 71 71 GLU HG2 H 1 2.33 . . . . . . . . . . . . 5094 1 505 . 1 1 71 71 GLU HG3 H 1 2.33 . . . . . . . . . . . . 5094 1 506 . 1 1 72 72 HIS N N 15 117.84 . . . . . . . . . . . . 5094 1 507 . 1 1 72 72 HIS H H 1 7.20 . . . . . . . . . . . . 5094 1 508 . 1 1 72 72 HIS HA H 1 3.93 . . . . . . . . . . . . 5094 1 509 . 1 1 72 72 HIS HB2 H 1 3.37 . . . . . . . . . . . . 5094 1 510 . 1 1 72 72 HIS HB3 H 1 3.08 . . . . . . . . . . . . 5094 1 511 . 1 1 72 72 HIS HD2 H 1 7.75 . . . . . . . . . . . . 5094 1 512 . 1 1 72 72 HIS HE1 H 1 6.435 . . . . . . . . . . . . 5094 1 513 . 1 1 72 72 HIS ND1 N 15 112.66 . . . . . . . . . . . . 5094 1 514 . 1 1 73 73 LEU N N 15 120.17 . . . . . . . . . . . . 5094 1 515 . 1 1 73 73 LEU H H 1 8.53 . . . . . . . . . . . . 5094 1 516 . 1 1 73 73 LEU HA H 1 3.76 . . . . . . . . . . . . 5094 1 517 . 1 1 73 73 LEU HB2 H 1 1.56 . . . . . . . . . . . . 5094 1 518 . 1 1 73 73 LEU HB3 H 1 1.56 . . . . . . . . . . . . 5094 1 519 . 1 1 74 74 ILE N N 15 111.38 . . . . . . . . . . . . 5094 1 520 . 1 1 74 74 ILE H H 1 8.18 . . . . . . . . . . . . 5094 1 521 . 1 1 74 74 ILE HA H 1 2.97 . . . . . . . . . . . . 5094 1 522 . 1 1 74 74 ILE HB H 1 1.13 . . . . . . . . . . . . 5094 1 523 . 1 1 74 74 ILE HG12 H 1 -0.75 . . . . . . . . . . . . 5094 1 524 . 1 1 74 74 ILE HG13 H 1 -0.75 . . . . . . . . . . . . 5094 1 525 . 1 1 74 74 ILE HG21 H 1 0.14 . . . . . . . . . . . . 5094 1 526 . 1 1 74 74 ILE HG22 H 1 0.14 . . . . . . . . . . . . 5094 1 527 . 1 1 74 74 ILE HG23 H 1 0.14 . . . . . . . . . . . . 5094 1 528 . 1 1 74 74 ILE HD11 H 1 -0.09 . . . . . . . . . . . . 5094 1 529 . 1 1 74 74 ILE HD12 H 1 -0.09 . . . . . . . . . . . . 5094 1 530 . 1 1 74 74 ILE HD13 H 1 -0.09 . . . . . . . . . . . . 5094 1 531 . 1 1 75 75 LYS N N 15 114.76 . . . . . . . . . . . . 5094 1 532 . 1 1 75 75 LYS H H 1 7.60 . . . . . . . . . . . . 5094 1 533 . 1 1 75 75 LYS HA H 1 3.80 . . . . . . . . . . . . 5094 1 534 . 1 1 75 75 LYS HB2 H 1 1.63 . . . . . . . . . . . . 5094 1 535 . 1 1 75 75 LYS HB3 H 1 1.57 . . . . . . . . . . . . 5094 1 536 . 1 1 75 75 LYS HG2 H 1 1.36 . . . . . . . . . . . . 5094 1 537 . 1 1 75 75 LYS HG3 H 1 1.23 . . . . . . . . . . . . 5094 1 538 . 1 1 76 76 ASN N N 15 123.33 . . . . . . . . . . . . 5094 1 539 . 1 1 76 76 ASN H H 1 8.23 . . . . . . . . . . . . 5094 1 540 . 1 1 76 76 ASN HA H 1 4.83 . . . . . . . . . . . . 5094 1 541 . 1 1 76 76 ASN HB2 H 1 2.66 . . . . . . . . . . . . 5094 1 542 . 1 1 76 76 ASN HB3 H 1 2.07 . . . . . . . . . . . . 5094 1 543 . 1 1 76 76 ASN HD21 H 1 5.89 . . . . . . . . . . . . 5094 1 544 . 1 1 76 76 ASN HD22 H 1 7.20 . . . . . . . . . . . . 5094 1 545 . 1 1 76 76 ASN ND2 N 15 116.78 . . . . . . . . . . . . 5094 1 546 . 1 1 77 77 GLU N N 15 123.56 . . . . . . . . . . . . 5094 1 547 . 1 1 77 77 GLU H H 1 8.64 . . . . . . . . . . . . 5094 1 548 . 1 1 77 77 GLU HA H 1 5.02 . . . . . . . . . . . . 5094 1 549 . 1 1 77 77 GLU HB2 H 1 1.91 . . . . . . . . . . . . 5094 1 550 . 1 1 77 77 GLU HB3 H 1 1.83 . . . . . . . . . . . . 5094 1 551 . 1 1 77 77 GLU HG2 H 1 2.39 . . . . . . . . . . . . 5094 1 552 . 1 1 77 77 GLU HG3 H 1 2.17 . . . . . . . . . . . . 5094 1 553 . 1 1 78 78 ILE N N 15 119.83 . . . . . . . . . . . . 5094 1 554 . 1 1 78 78 ILE H H 1 8.18 . . . . . . . . . . . . 5094 1 555 . 1 1 78 78 ILE HA H 1 4.20 . . . . . . . . . . . . 5094 1 556 . 1 1 78 78 ILE HB H 1 1.14 . . . . . . . . . . . . 5094 1 557 . 1 1 78 78 ILE HG12 H 1 0.97 . . . . . . . . . . . . 5094 1 558 . 1 1 78 78 ILE HG13 H 1 0.97 . . . . . . . . . . . . 5094 1 559 . 1 1 78 78 ILE HG21 H 1 0.45 . . . . . . . . . . . . 5094 1 560 . 1 1 78 78 ILE HG22 H 1 0.45 . . . . . . . . . . . . 5094 1 561 . 1 1 78 78 ILE HG23 H 1 0.45 . . . . . . . . . . . . 5094 1 562 . 1 1 78 78 ILE HD11 H 1 -0.05 . . . . . . . . . . . . 5094 1 563 . 1 1 78 78 ILE HD12 H 1 -0.05 . . . . . . . . . . . . 5094 1 564 . 1 1 78 78 ILE HD13 H 1 -0.05 . . . . . . . . . . . . 5094 1 565 . 1 1 79 79 GLU N N 15 122.21 . . . . . . . . . . . . 5094 1 566 . 1 1 79 79 GLU H H 1 8.75 . . . . . . . . . . . . 5094 1 567 . 1 1 79 79 GLU HA H 1 4.10 . . . . . . . . . . . . 5094 1 568 . 1 1 79 79 GLU HB2 H 1 1.36 . . . . . . . . . . . . 5094 1 569 . 1 1 79 79 GLU HB3 H 1 1.22 . . . . . . . . . . . . 5094 1 570 . 1 1 79 79 GLU HG2 H 1 1.79 . . . . . . . . . . . . 5094 1 571 . 1 1 79 79 GLU HG3 H 1 1.70 . . . . . . . . . . . . 5094 1 572 . 1 1 80 80 ILE N N 15 122.80 . . . . . . . . . . . . 5094 1 573 . 1 1 80 80 ILE H H 1 7.77 . . . . . . . . . . . . 5094 1 574 . 1 1 80 80 ILE HA H 1 3.98 . . . . . . . . . . . . 5094 1 575 . 1 1 80 80 ILE HB H 1 2.25 . . . . . . . . . . . . 5094 1 576 . 1 1 80 80 ILE HG12 H 1 1.51 . . . . . . . . . . . . 5094 1 577 . 1 1 80 80 ILE HG13 H 1 1.51 . . . . . . . . . . . . 5094 1 578 . 1 1 80 80 ILE HG21 H 1 0.21 . . . . . . . . . . . . 5094 1 579 . 1 1 80 80 ILE HG22 H 1 0.21 . . . . . . . . . . . . 5094 1 580 . 1 1 80 80 ILE HG23 H 1 0.21 . . . . . . . . . . . . 5094 1 581 . 1 1 80 80 ILE HD11 H 1 0.39 . . . . . . . . . . . . 5094 1 582 . 1 1 80 80 ILE HD12 H 1 0.39 . . . . . . . . . . . . 5094 1 583 . 1 1 80 80 ILE HD13 H 1 0.39 . . . . . . . . . . . . 5094 1 584 . 1 1 81 81 TRP N N 15 122.44 . . . . . . . . . . . . 5094 1 585 . 1 1 81 81 TRP H H 1 8.29 . . . . . . . . . . . . 5094 1 586 . 1 1 81 81 TRP HA H 1 3.69 . . . . . . . . . . . . 5094 1 587 . 1 1 81 81 TRP HB2 H 1 2.73 . . . . . . . . . . . . 5094 1 588 . 1 1 81 81 TRP HB3 H 1 2.64 . . . . . . . . . . . . 5094 1 589 . 1 1 81 81 TRP HD1 H 1 7.24 . . . . . . . . . . . . 5094 1 590 . 1 1 81 81 TRP HE1 H 1 7.84 . . . . . . . . . . . . 5094 1 591 . 1 1 81 81 TRP HE3 H 1 7.36 . . . . . . . . . . . . 5094 1 592 . 1 1 81 81 TRP HZ2 H 1 7.08 . . . . . . . . . . . . 5094 1 593 . 1 1 81 81 TRP HZ3 H 1 7.00 . . . . . . . . . . . . 5094 1 594 . 1 1 81 81 TRP HH2 H 1 6.79 . . . . . . . . . . . . 5094 1 595 . 1 1 82 82 ARG N N 15 116.08 . . . . . . . . . . . . 5094 1 596 . 1 1 82 82 ARG H H 1 8.59 . . . . . . . . . . . . 5094 1 597 . 1 1 82 82 ARG HA H 1 3.53 . . . . . . . . . . . . 5094 1 598 . 1 1 82 82 ARG HB2 H 1 2.02 . . . . . . . . . . . . 5094 1 599 . 1 1 82 82 ARG HB3 H 1 2.02 . . . . . . . . . . . . 5094 1 600 . 1 1 82 82 ARG HG2 H 1 1.86 . . . . . . . . . . . . 5094 1 601 . 1 1 82 82 ARG HG3 H 1 1.86 . . . . . . . . . . . . 5094 1 602 . 1 1 82 82 ARG HD2 H 1 3.18 . . . . . . . . . . . . 5094 1 603 . 1 1 82 82 ARG HD3 H 1 3.18 . . . . . . . . . . . . 5094 1 604 . 1 1 83 83 GLU N N 15 121.44 . . . . . . . . . . . . 5094 1 605 . 1 1 83 83 GLU H H 1 7.76 . . . . . . . . . . . . 5094 1 606 . 1 1 83 83 GLU HA H 1 4.02 . . . . . . . . . . . . 5094 1 607 . 1 1 83 83 GLU HB2 H 1 1.83 . . . . . . . . . . . . 5094 1 608 . 1 1 83 83 GLU HB3 H 1 1.83 . . . . . . . . . . . . 5094 1 609 . 1 1 83 83 GLU HG2 H 1 2.26 . . . . . . . . . . . . 5094 1 610 . 1 1 83 83 GLU HG3 H 1 2.26 . . . . . . . . . . . . 5094 1 611 . 1 1 84 84 LEU N N 15 118.17 . . . . . . . . . . . . 5094 1 612 . 1 1 84 84 LEU H H 1 8.78 . . . . . . . . . . . . 5094 1 613 . 1 1 84 84 LEU HA H 1 3.18 . . . . . . . . . . . . 5094 1 614 . 1 1 84 84 LEU HB2 H 1 1.92 . . . . . . . . . . . . 5094 1 615 . 1 1 84 84 LEU HB3 H 1 1.71 . . . . . . . . . . . . 5094 1 616 . 1 1 84 84 LEU HG H 1 1.49 . . . . . . . . . . . . 5094 1 617 . 1 1 84 84 LEU HD11 H 1 1.47 . . . . . . . . . . . . 5094 1 618 . 1 1 84 84 LEU HD12 H 1 1.47 . . . . . . . . . . . . 5094 1 619 . 1 1 84 84 LEU HD13 H 1 1.47 . . . . . . . . . . . . 5094 1 620 . 1 1 84 84 LEU HD21 H 1 1.47 . . . . . . . . . . . . 5094 1 621 . 1 1 84 84 LEU HD22 H 1 1.47 . . . . . . . . . . . . 5094 1 622 . 1 1 84 84 LEU HD23 H 1 1.47 . . . . . . . . . . . . 5094 1 623 . 1 1 85 85 THR N N 15 110.01 . . . . . . . . . . . . 5094 1 624 . 1 1 85 85 THR H H 1 7.84 . . . . . . . . . . . . 5094 1 625 . 1 1 85 85 THR HA H 1 3.68 . . . . . . . . . . . . 5094 1 626 . 1 1 85 85 THR HB H 1 3.74 . . . . . . . . . . . . 5094 1 627 . 1 1 85 85 THR HG21 H 1 0.206 . . . . . . . . . . . . 5094 1 628 . 1 1 85 85 THR HG22 H 1 0.206 . . . . . . . . . . . . 5094 1 629 . 1 1 85 85 THR HG23 H 1 0.206 . . . . . . . . . . . . 5094 1 630 . 1 1 86 86 ALA N N 15 125.75 . . . . . . . . . . . . 5094 1 631 . 1 1 86 86 ALA H H 1 7.64 . . . . . . . . . . . . 5094 1 632 . 1 1 86 86 ALA HA H 1 3.78 . . . . . . . . . . . . 5094 1 633 . 1 1 86 86 ALA HB1 H 1 1.39 . . . . . . . . . . . . 5094 1 634 . 1 1 86 86 ALA HB2 H 1 1.39 . . . . . . . . . . . . 5094 1 635 . 1 1 86 86 ALA HB3 H 1 1.39 . . . . . . . . . . . . 5094 1 636 . 1 1 87 87 LYS N N 15 116.05 . . . . . . . . . . . . 5094 1 637 . 1 1 87 87 LYS H H 1 7.09 . . . . . . . . . . . . 5094 1 638 . 1 1 87 87 LYS HA H 1 3.94 . . . . . . . . . . . . 5094 1 639 . 1 1 87 87 LYS HB2 H 1 1.43 . . . . . . . . . . . . 5094 1 640 . 1 1 87 87 LYS HB3 H 1 1.27 . . . . . . . . . . . . 5094 1 641 . 1 1 87 87 LYS HG2 H 1 0.80 . . . . . . . . . . . . 5094 1 642 . 1 1 87 87 LYS HG3 H 1 0.80 . . . . . . . . . . . . 5094 1 643 . 1 1 87 87 LYS HD2 H 1 0.04 . . . . . . . . . . . . 5094 1 644 . 1 1 87 87 LYS HD3 H 1 0.04 . . . . . . . . . . . . 5094 1 645 . 1 1 87 87 LYS HE2 H 1 2.80 . . . . . . . . . . . . 5094 1 646 . 1 1 87 87 LYS HE3 H 1 2.64 . . . . . . . . . . . . 5094 1 647 . 1 1 88 88 TYR N N 15 119.58 . . . . . . . . . . . . 5094 1 648 . 1 1 88 88 TYR H H 1 8.63 . . . . . . . . . . . . 5094 1 649 . 1 1 88 88 TYR HA H 1 5.41 . . . . . . . . . . . . 5094 1 650 . 1 1 88 88 TYR HB2 H 1 3.12 . . . . . . . . . . . . 5094 1 651 . 1 1 88 88 TYR HB3 H 1 2.67 . . . . . . . . . . . . 5094 1 652 . 1 1 88 88 TYR HD1 H 1 7.53 . . . . . . . . . . . . 5094 1 653 . 1 1 88 88 TYR HD2 H 1 7.53 . . . . . . . . . . . . 5094 1 654 . 1 1 88 88 TYR HE1 H 1 7.02 . . . . . . . . . . . . 5094 1 655 . 1 1 88 88 TYR HE2 H 1 7.02 . . . . . . . . . . . . 5094 1 656 . 1 1 89 89 ASP N N 15 124.35 . . . . . . . . . . . . 5094 1 657 . 1 1 89 89 ASP H H 1 7.63 . . . . . . . . . . . . 5094 1 658 . 1 1 89 89 ASP HA H 1 4.43 . . . . . . . . . . . . 5094 1 659 . 1 1 89 89 ASP HB2 H 1 2.57 . . . . . . . . . . . . 5094 1 660 . 1 1 89 89 ASP HB3 H 1 2.57 . . . . . . . . . . . . 5094 1 661 . 1 1 90 90 PRO HA H 1 4.35 . . . . . . . . . . . . 5094 1 662 . 1 1 90 90 PRO HB2 H 1 2.47 . . . . . . . . . . . . 5094 1 663 . 1 1 90 90 PRO HB3 H 1 2.05 . . . . . . . . . . . . 5094 1 664 . 1 1 90 90 PRO HG2 H 1 2.15 . . . . . . . . . . . . 5094 1 665 . 1 1 90 90 PRO HG3 H 1 2.0 . . . . . . . . . . . . 5094 1 666 . 1 1 90 90 PRO HD2 H 1 3.914 . . . . . . . . . . . . 5094 1 667 . 1 1 90 90 PRO HD3 H 1 3.34 . . . . . . . . . . . . 5094 1 668 . 1 1 91 91 THR N N 15 109.50 . . . . . . . . . . . . 5094 1 669 . 1 1 91 91 THR H H 1 8.30 . . . . . . . . . . . . 5094 1 670 . 1 1 91 91 THR HA H 1 4.37 . . . . . . . . . . . . 5094 1 671 . 1 1 91 91 THR HB H 1 4.36 . . . . . . . . . . . . 5094 1 672 . 1 1 91 91 THR HG21 H 1 1.29 . . . . . . . . . . . . 5094 1 673 . 1 1 91 91 THR HG22 H 1 1.29 . . . . . . . . . . . . 5094 1 674 . 1 1 91 91 THR HG23 H 1 1.29 . . . . . . . . . . . . 5094 1 675 . 1 1 92 92 GLY N N 15 112.85 . . . . . . . . . . . . 5094 1 676 . 1 1 92 92 GLY H H 1 7.93 . . . . . . . . . . . . 5094 1 677 . 1 1 92 92 GLY HA2 H 1 3.89 . . . . . . . . . . . . 5094 1 678 . 1 1 92 92 GLY HA3 H 1 4.00 . . . . . . . . . . . . 5094 1 679 . 1 1 93 93 ASN N N 15 122.55 . . . . . . . . . . . . 5094 1 680 . 1 1 93 93 ASN H H 1 8.90 . . . . . . . . . . . . 5094 1 681 . 1 1 93 93 ASN HA H 1 4.21 . . . . . . . . . . . . 5094 1 682 . 1 1 93 93 ASN HB2 H 1 2.46 . . . . . . . . . . . . 5094 1 683 . 1 1 93 93 ASN HB3 H 1 2.10 . . . . . . . . . . . . 5094 1 684 . 1 1 93 93 ASN HD21 H 1 6.77 . . . . . . . . . . . . 5094 1 685 . 1 1 93 93 ASN HD22 H 1 7.04 . . . . . . . . . . . . 5094 1 686 . 1 1 94 94 TRP N N 15 126.59 . . . . . . . . . . . . 5094 1 687 . 1 1 94 94 TRP H H 1 9.67 . . . . . . . . . . . . 5094 1 688 . 1 1 94 94 TRP HA H 1 4.73 . . . . . . . . . . . . 5094 1 689 . 1 1 94 94 TRP HB2 H 1 3.59 . . . . . . . . . . . . 5094 1 690 . 1 1 94 94 TRP HB3 H 1 3.59 . . . . . . . . . . . . 5094 1 691 . 1 1 94 94 TRP HD1 H 1 7.29 . . . . . . . . . . . . 5094 1 692 . 1 1 94 94 TRP HE1 H 1 9.96 . . . . . . . . . . . . 5094 1 693 . 1 1 94 94 TRP HE3 H 1 6.98 . . . . . . . . . . . . 5094 1 694 . 1 1 94 94 TRP HZ2 H 1 7.38 . . . . . . . . . . . . 5094 1 695 . 1 1 94 94 TRP HZ3 H 1 7.10 . . . . . . . . . . . . 5094 1 696 . 1 1 94 94 TRP HH2 H 1 7.07 . . . . . . . . . . . . 5094 1 697 . 1 1 94 94 TRP NE1 N 15 129.05 . . . . . . . . . . . . 5094 1 698 . 1 1 95 95 ARG N N 15 124.00 . . . . . . . . . . . . 5094 1 699 . 1 1 95 95 ARG H H 1 9.21 . . . . . . . . . . . . 5094 1 700 . 1 1 95 95 ARG HA H 1 4.41 . . . . . . . . . . . . 5094 1 701 . 1 1 95 95 ARG HB2 H 1 1.90 . . . . . . . . . . . . 5094 1 702 . 1 1 95 95 ARG HB3 H 1 1.90 . . . . . . . . . . . . 5094 1 703 . 1 1 96 96 LYS N N 15 117.79 . . . . . . . . . . . . 5094 1 704 . 1 1 96 96 LYS H H 1 7.89 . . . . . . . . . . . . 5094 1 705 . 1 1 96 96 LYS HA H 1 4.15 . . . . . . . . . . . . 5094 1 706 . 1 1 96 96 LYS HB2 H 1 1.88 . . . . . . . . . . . . 5094 1 707 . 1 1 96 96 LYS HB3 H 1 1.88 . . . . . . . . . . . . 5094 1 708 . 1 1 96 96 LYS HG2 H 1 1.72 . . . . . . . . . . . . 5094 1 709 . 1 1 96 96 LYS HG3 H 1 1.72 . . . . . . . . . . . . 5094 1 710 . 1 1 96 96 LYS HD2 H 1 1.75 . . . . . . . . . . . . 5094 1 711 . 1 1 96 96 LYS HD3 H 1 1.75 . . . . . . . . . . . . 5094 1 712 . 1 1 96 96 LYS HE2 H 1 3.03 . . . . . . . . . . . . 5094 1 713 . 1 1 96 96 LYS HE3 H 1 3.03 . . . . . . . . . . . . 5094 1 714 . 1 1 97 97 LYS N N 15 120.29 . . . . . . . . . . . . 5094 1 715 . 1 1 97 97 LYS H H 1 7.40 . . . . . . . . . . . . 5094 1 716 . 1 1 97 97 LYS HA H 1 4.09 . . . . . . . . . . . . 5094 1 717 . 1 1 97 97 LYS HB2 H 1 1.95 . . . . . . . . . . . . 5094 1 718 . 1 1 97 97 LYS HB3 H 1 1.87 . . . . . . . . . . . . 5094 1 719 . 1 1 97 97 LYS HG2 H 1 1.39 . . . . . . . . . . . . 5094 1 720 . 1 1 97 97 LYS HG3 H 1 1.39 . . . . . . . . . . . . 5094 1 721 . 1 1 97 97 LYS HD2 H 1 1.07 . . . . . . . . . . . . 5094 1 722 . 1 1 97 97 LYS HD3 H 1 1.07 . . . . . . . . . . . . 5094 1 723 . 1 1 97 97 LYS HE2 H 1 2.70 . . . . . . . . . . . . 5094 1 724 . 1 1 97 97 LYS HE3 H 1 2.70 . . . . . . . . . . . . 5094 1 725 . 1 1 98 98 TYR N N 15 119.59 . . . . . . . . . . . . 5094 1 726 . 1 1 98 98 TYR H H 1 8.35 . . . . . . . . . . . . 5094 1 727 . 1 1 98 98 TYR HA H 1 4.41 . . . . . . . . . . . . 5094 1 728 . 1 1 98 98 TYR HB2 H 1 3.26 . . . . . . . . . . . . 5094 1 729 . 1 1 98 98 TYR HB3 H 1 3.09 . . . . . . . . . . . . 5094 1 730 . 1 1 98 98 TYR HD1 H 1 7.35 . . . . . . . . . . . . 5094 1 731 . 1 1 98 98 TYR HD2 H 1 7.35 . . . . . . . . . . . . 5094 1 732 . 1 1 98 98 TYR HE1 H 1 7.00 . . . . . . . . . . . . 5094 1 733 . 1 1 98 98 TYR HE2 H 1 7.00 . . . . . . . . . . . . 5094 1 734 . 1 1 99 99 GLU N N 15 121.64 . . . . . . . . . . . . 5094 1 735 . 1 1 99 99 GLU H H 1 8.83 . . . . . . . . . . . . 5094 1 736 . 1 1 99 99 GLU HA H 1 3.94 . . . . . . . . . . . . 5094 1 737 . 1 1 99 99 GLU HB2 H 1 2.07 . . . . . . . . . . . . 5094 1 738 . 1 1 99 99 GLU HB3 H 1 2.07 . . . . . . . . . . . . 5094 1 739 . 1 1 99 99 GLU HG2 H 1 2.32 . . . . . . . . . . . . 5094 1 740 . 1 1 99 99 GLU HG3 H 1 2.26 . . . . . . . . . . . . 5094 1 741 . 1 1 100 100 ASP N N 15 121.43 . . . . . . . . . . . . 5094 1 742 . 1 1 100 100 ASP H H 1 8.89 . . . . . . . . . . . . 5094 1 743 . 1 1 100 100 ASP HA H 1 4.46 . . . . . . . . . . . . 5094 1 744 . 1 1 100 100 ASP HB2 H 1 2.89 . . . . . . . . . . . . 5094 1 745 . 1 1 100 100 ASP HB3 H 1 2.59 . . . . . . . . . . . . 5094 1 746 . 1 1 101 101 ARG N N 15 119.00 . . . . . . . . . . . . 5094 1 747 . 1 1 101 101 ARG H H 1 7.63 . . . . . . . . . . . . 5094 1 748 . 1 1 101 101 ARG HA H 1 4.04 . . . . . . . . . . . . 5094 1 749 . 1 1 101 101 ARG HB2 H 1 2.23 . . . . . . . . . . . . 5094 1 750 . 1 1 101 101 ARG HB3 H 1 2.01 . . . . . . . . . . . . 5094 1 751 . 1 1 101 101 ARG HG2 H 1 1.74 . . . . . . . . . . . . 5094 1 752 . 1 1 101 101 ARG HG3 H 1 1.53 . . . . . . . . . . . . 5094 1 753 . 1 1 101 101 ARG HD2 H 1 2.83 . . . . . . . . . . . . 5094 1 754 . 1 1 101 101 ARG HD3 H 1 2.57 . . . . . . . . . . . . 5094 1 755 . 1 1 102 102 ALA N N 15 123.18 . . . . . . . . . . . . 5094 1 756 . 1 1 102 102 ALA H H 1 8.40 . . . . . . . . . . . . 5094 1 757 . 1 1 102 102 ALA HA H 1 4.27 . . . . . . . . . . . . 5094 1 758 . 1 1 102 102 ALA HB1 H 1 1.42 . . . . . . . . . . . . 5094 1 759 . 1 1 102 102 ALA HB2 H 1 1.42 . . . . . . . . . . . . 5094 1 760 . 1 1 102 102 ALA HB3 H 1 1.42 . . . . . . . . . . . . 5094 1 761 . 1 1 103 103 LYS N N 15 120.19 . . . . . . . . . . . . 5094 1 762 . 1 1 103 103 LYS H H 1 8.80 . . . . . . . . . . . . 5094 1 763 . 1 1 103 103 LYS HA H 1 4.50 . . . . . . . . . . . . 5094 1 764 . 1 1 103 103 LYS HB2 H 1 1.95 . . . . . . . . . . . . 5094 1 765 . 1 1 103 103 LYS HB3 H 1 1.95 . . . . . . . . . . . . 5094 1 766 . 1 1 103 103 LYS HG2 H 1 1.74 . . . . . . . . . . . . 5094 1 767 . 1 1 103 103 LYS HG3 H 1 1.74 . . . . . . . . . . . . 5094 1 768 . 1 1 103 103 LYS HD2 H 1 1.57 . . . . . . . . . . . . 5094 1 769 . 1 1 103 103 LYS HD3 H 1 1.57 . . . . . . . . . . . . 5094 1 770 . 1 1 104 104 ALA N N 15 122.25 . . . . . . . . . . . . 5094 1 771 . 1 1 104 104 ALA H H 1 7.94 . . . . . . . . . . . . 5094 1 772 . 1 1 104 104 ALA HA H 1 4.20 . . . . . . . . . . . . 5094 1 773 . 1 1 104 104 ALA HB1 H 1 1.53 . . . . . . . . . . . . 5094 1 774 . 1 1 104 104 ALA HB2 H 1 1.53 . . . . . . . . . . . . 5094 1 775 . 1 1 104 104 ALA HB3 H 1 1.53 . . . . . . . . . . . . 5094 1 776 . 1 1 105 105 ALA N N 15 121.84 . . . . . . . . . . . . 5094 1 777 . 1 1 105 105 ALA H H 1 7.54 . . . . . . . . . . . . 5094 1 778 . 1 1 105 105 ALA HA H 1 4.46 . . . . . . . . . . . . 5094 1 779 . 1 1 105 105 ALA HB1 H 1 1.60 . . . . . . . . . . . . 5094 1 780 . 1 1 105 105 ALA HB2 H 1 1.60 . . . . . . . . . . . . 5094 1 781 . 1 1 105 105 ALA HB3 H 1 1.60 . . . . . . . . . . . . 5094 1 782 . 1 1 106 106 GLY N N 15 108.20 . . . . . . . . . . . . 5094 1 783 . 1 1 106 106 GLY H H 1 7.94 . . . . . . . . . . . . 5094 1 784 . 1 1 106 106 GLY HA2 H 1 3.68 . . . . . . . . . . . . 5094 1 785 . 1 1 106 106 GLY HA3 H 1 4.20 . . . . . . . . . . . . 5094 1 786 . 1 1 107 107 ILE N N 15 124.57 . . . . . . . . . . . . 5094 1 787 . 1 1 107 107 ILE H H 1 7.76 . . . . . . . . . . . . 5094 1 788 . 1 1 107 107 ILE HA H 1 3.94 . . . . . . . . . . . . 5094 1 789 . 1 1 107 107 ILE HB H 1 1.52 . . . . . . . . . . . . 5094 1 790 . 1 1 107 107 ILE HG12 H 1 0.818 . . . . . . . . . . . . 5094 1 791 . 1 1 107 107 ILE HG13 H 1 0.818 . . . . . . . . . . . . 5094 1 792 . 1 1 107 107 ILE HG21 H 1 0.99 . . . . . . . . . . . . 5094 1 793 . 1 1 107 107 ILE HG22 H 1 0.99 . . . . . . . . . . . . 5094 1 794 . 1 1 107 107 ILE HG23 H 1 0.99 . . . . . . . . . . . . 5094 1 795 . 1 1 107 107 ILE HD11 H 1 0.66 . . . . . . . . . . . . 5094 1 796 . 1 1 107 107 ILE HD12 H 1 0.66 . . . . . . . . . . . . 5094 1 797 . 1 1 107 107 ILE HD13 H 1 0.66 . . . . . . . . . . . . 5094 1 798 . 1 1 108 108 VAL N N 15 129.48 . . . . . . . . . . . . 5094 1 799 . 1 1 108 108 VAL H H 1 8.38 . . . . . . . . . . . . 5094 1 800 . 1 1 108 108 VAL HA H 1 3.98 . . . . . . . . . . . . 5094 1 801 . 1 1 108 108 VAL HB H 1 1.92 . . . . . . . . . . . . 5094 1 802 . 1 1 108 108 VAL HG11 H 1 0.94 . . . . . . . . . . . . 5094 1 803 . 1 1 108 108 VAL HG12 H 1 0.94 . . . . . . . . . . . . 5094 1 804 . 1 1 108 108 VAL HG13 H 1 0.94 . . . . . . . . . . . . 5094 1 805 . 1 1 108 108 VAL HG21 H 1 0.82 . . . . . . . . . . . . 5094 1 806 . 1 1 108 108 VAL HG22 H 1 0.82 . . . . . . . . . . . . 5094 1 807 . 1 1 108 108 VAL HG23 H 1 0.82 . . . . . . . . . . . . 5094 1 808 . 1 1 109 109 ILE N N 15 130.43 . . . . . . . . . . . . 5094 1 809 . 1 1 109 109 ILE H H 1 8.50 . . . . . . . . . . . . 5094 1 810 . 1 1 109 109 ILE HA H 1 4.47 . . . . . . . . . . . . 5094 1 811 . 1 1 109 109 ILE HB H 1 1.83 . . . . . . . . . . . . 5094 1 812 . 1 1 109 109 ILE HG12 H 1 0.82 . . . . . . . . . . . . 5094 1 813 . 1 1 109 109 ILE HG13 H 1 0.82 . . . . . . . . . . . . 5094 1 814 . 1 1 109 109 ILE HG21 H 1 1.47 . . . . . . . . . . . . 5094 1 815 . 1 1 109 109 ILE HG22 H 1 1.47 . . . . . . . . . . . . 5094 1 816 . 1 1 109 109 ILE HG23 H 1 1.47 . . . . . . . . . . . . 5094 1 817 . 1 1 109 109 ILE HD11 H 1 0.90 . . . . . . . . . . . . 5094 1 818 . 1 1 109 109 ILE HD12 H 1 0.90 . . . . . . . . . . . . 5094 1 819 . 1 1 109 109 ILE HD13 H 1 0.90 . . . . . . . . . . . . 5094 1 820 . 1 1 110 110 PRO HA H 1 4.42 . . . . . . . . . . . . 5094 1 821 . 1 1 110 110 PRO HB2 H 1 2.33 . . . . . . . . . . . . 5094 1 822 . 1 1 110 110 PRO HB3 H 1 2.33 . . . . . . . . . . . . 5094 1 823 . 1 1 110 110 PRO HG2 H 1 2.07 . . . . . . . . . . . . 5094 1 824 . 1 1 110 110 PRO HG3 H 1 1.96 . . . . . . . . . . . . 5094 1 825 . 1 1 110 110 PRO HD2 H 1 3.95 . . . . . . . . . . . . 5094 1 826 . 1 1 110 110 PRO HD3 H 1 3.67 . . . . . . . . . . . . 5094 1 827 . 1 1 111 111 GLU N N 15 123.31 . . . . . . . . . . . . 5094 1 828 . 1 1 111 111 GLU H H 1 8.51 . . . . . . . . . . . . 5094 1 829 . 1 1 111 111 GLU HA H 1 4.23 . . . . . . . . . . . . 5094 1 830 . 1 1 111 111 GLU HB2 H 1 2.10 . . . . . . . . . . . . 5094 1 831 . 1 1 111 111 GLU HB3 H 1 1.94 . . . . . . . . . . . . 5094 1 832 . 1 1 111 111 GLU HG2 H 1 2.34 . . . . . . . . . . . . 5094 1 833 . 1 1 111 111 GLU HG3 H 1 2.34 . . . . . . . . . . . . 5094 1 834 . 1 1 112 112 GLU N N 15 128.22 . . . . . . . . . . . . 5094 1 835 . 1 1 112 112 GLU H H 1 8.07 . . . . . . . . . . . . 5094 1 836 . 1 1 112 112 GLU HA H 1 4.08 . . . . . . . . . . . . 5094 1 837 . 1 1 112 112 GLU HB2 H 1 2.02 . . . . . . . . . . . . 5094 1 838 . 1 1 112 112 GLU HB3 H 1 1.88 . . . . . . . . . . . . 5094 1 839 . 1 1 112 112 GLU HG2 H 1 1.18 . . . . . . . . . . . . 5094 1 840 . 1 1 112 112 GLU HG3 H 1 1.18 . . . . . . . . . . . . 5094 1 stop_ save_ ######################## # Coupling constants # ######################## save_cc_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode cc_set_1 _Coupling_constant_list.Entry_ID 5094 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _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 '2D NOESY' 1 $sample_1 . 5094 1 2 DQF-COSY 1 $sample_1 . 5094 1 3 clean-TOCSY 1 $sample_1 . 5094 1 4 '3D 15N-1H-HSQC NOESY' 1 $sample_1 . 5094 1 5 '3D 15N-1H-HSQC TOCSY' 1 $sample_1 . 5094 1 6 '2D 15N-1H-HSQC' 1 $sample_1 . 5094 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_asym_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_asym_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 4 4 TYR H H 1 . . 1 1 4 4 TYR HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 2 3JHNHA . 1 1 5 5 THR H H 1 . . 1 1 5 5 THR HA H 1 . 6.9 . . . . . . . . . . . . . . . . 5094 1 3 3JHNHA . 1 1 6 6 ASP H H 1 . . 1 1 6 6 ASP HA H 1 . 5.0 . . . . . . . . . . . . . . . . 5094 1 4 3JHNHA . 1 1 7 7 LYS H H 1 . . 1 1 7 7 LYS HA H 1 . 6.4 . . . . . . . . . . . . . . . . 5094 1 5 3JHNHA . 1 1 8 8 TYR H H 1 . . 1 1 8 8 TYR HA H 1 . 6.8 . . . . . . . . . . . . . . . . 5094 1 6 3JHNHA . 1 1 9 9 ASP H H 1 . . 1 1 9 9 ASP HA H 1 . 5.8 . . . . . . . . . . . . . . . . 5094 1 7 3JHNHA . 1 1 10 10 ASN H H 1 . . 1 1 10 10 ASN HA H 1 . 7.8 . . . . . . . . . . . . . . . . 5094 1 8 3JHNHA . 1 1 11 11 ILE H H 1 . . 1 1 11 11 ILE HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 9 3JHNHA . 1 1 12 12 ASN H H 1 . . 1 1 12 12 ASN HA H 1 . 6.6 . . . . . . . . . . . . . . . . 5094 1 10 3JHNHA . 1 1 13 13 LEU H H 1 . . 1 1 13 13 LEU HA H 1 . 8.3 . . . . . . . . . . . . . . . . 5094 1 11 3JHNHA . 1 1 14 14 ASP H H 1 . . 1 1 14 14 ASP HA H 1 . 5.5 . . . . . . . . . . . . . . . . 5094 1 12 3JHNHA . 1 1 15 15 GLU H H 1 . . 1 1 15 15 GLU HA H 1 . 6.0 . . . . . . . . . . . . . . . . 5094 1 13 3JHNHA . 1 1 16 16 ILE H H 1 . . 1 1 16 16 ILE HA H 1 . 5.1 . . . . . . . . . . . . . . . . 5094 1 14 3JHNHA . 1 1 17 17 LEU H H 1 . . 1 1 17 17 LEU HA H 1 . 6.8 . . . . . . . . . . . . . . . . 5094 1 15 3JHNHA . 1 1 18 18 ALA H H 1 . . 1 1 18 18 ALA HA H 1 . 7.6 . . . . . . . . . . . . . . . . 5094 1 16 3JHNHA . 1 1 19 19 ASN H H 1 . . 1 1 19 19 ASN HA H 1 . 10.9 . . . . . . . . . . . . . . . . 5094 1 17 3JHNHA . 1 1 20 20 LYS H H 1 . . 1 1 20 20 LYS HA H 1 . 6.1 . . . . . . . . . . . . . . . . 5094 1 18 3JHNHA . 1 1 21 21 ARG H H 1 . . 1 1 21 21 ARG HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5094 1 19 3JHNHA . 1 1 22 22 LEU H H 1 . . 1 1 22 22 LEU HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 20 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 6.2 . . . . . . . . . . . . . . . . 5094 1 21 3JHNHA . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL HA H 1 . 6.0 . . . . . . . . . . . . . . . . 5094 1 22 3JHNHA . 1 1 25 25 ALA H H 1 . . 1 1 25 25 ALA HA H 1 . 6.1 . . . . . . . . . . . . . . . . 5094 1 23 3JHNHA . 1 1 26 26 TYR H H 1 . . 1 1 26 26 TYR HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 24 3JHNHA . 1 1 27 27 VAL H H 1 . . 1 1 27 27 VAL HA H 1 . 7.6 . . . . . . . . . . . . . . . . 5094 1 25 3JHNHA . 1 1 28 28 ASN H H 1 . . 1 1 28 28 ASN HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 26 3JHNHA . 1 1 29 29 CYS H H 1 . . 1 1 29 29 CYS HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 27 3JHNHA . 1 1 30 30 VAL H H 1 . . 1 1 30 30 VAL HA H 1 . 6.0 . . . . . . . . . . . . . . . . 5094 1 28 3JHNHA . 1 1 31 31 MET H H 1 . . 1 1 31 31 MET HA H 1 . 7.9 . . . . . . . . . . . . . . . . 5094 1 29 3JHNHA . 1 1 32 32 GLU H H 1 . . 1 1 32 32 GLU HA H 1 . 7.1 . . . . . . . . . . . . . . . . 5094 1 30 3JHNHA . 1 1 33 33 ARG H H 1 . . 1 1 33 33 ARG HA H 1 . 7.2 . . . . . . . . . . . . . . . . 5094 1 31 3JHNHA . 1 1 35 35 LYS H H 1 . . 1 1 35 35 LYS HA H 1 . 5.9 . . . . . . . . . . . . . . . . 5094 1 32 3JHNHA . 1 1 36 36 CYS H H 1 . . 1 1 36 36 CYS HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5094 1 33 3JHNHA . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER HA H 1 . 10.4 . . . . . . . . . . . . . . . . 5094 1 34 3JHNHA . 1 1 39 39 GLU H H 1 . . 1 1 39 39 GLU HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5094 1 35 3JHNHA . 1 1 41 41 LYS H H 1 . . 1 1 41 41 LYS HA H 1 . 6.9 . . . . . . . . . . . . . . . . 5094 1 36 3JHNHA . 1 1 42 42 GLU H H 1 . . 1 1 42 42 GLU HA H 1 . 9.0 . . . . . . . . . . . . . . . . 5094 1 37 3JHNHA . 1 1 43 43 LEU H H 1 . . 1 1 43 43 LEU HA H 1 . 6.6 . . . . . . . . . . . . . . . . 5094 1 38 3JHNHA . 1 1 44 44 LYS H H 1 . . 1 1 44 44 LYS HA H 1 . 8.3 . . . . . . . . . . . . . . . . 5094 1 39 3JHNHA . 1 1 45 45 GLU H H 1 . . 1 1 45 45 GLU HA H 1 . 7.9 . . . . . . . . . . . . . . . . 5094 1 40 3JHNHA . 1 1 46 46 HIS H H 1 . . 1 1 46 46 HIS HA H 1 . 8.8 . . . . . . . . . . . . . . . . 5094 1 41 3JHNHA . 1 1 47 47 LEU H H 1 . . 1 1 47 47 LEU HA H 1 . 5.3 . . . . . . . . . . . . . . . . 5094 1 42 3JHNHA . 1 1 48 48 GLN H H 1 . . 1 1 48 48 GLN HA H 1 . 6.5 . . . . . . . . . . . . . . . . 5094 1 43 3JHNHA . 1 1 49 49 ASP H H 1 . . 1 1 49 49 ASP HA H 1 . 5.8 . . . . . . . . . . . . . . . . 5094 1 44 3JHNHA . 1 1 50 50 ALA H H 1 . . 1 1 50 50 ALA HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5094 1 45 3JHNHA . 1 1 53 53 ASN H H 1 . . 1 1 53 53 ASN HA H 1 . 9.3 . . . . . . . . . . . . . . . . 5094 1 46 3JHNHA . 1 1 55 55 CYS H H 1 . . 1 1 55 55 CYS HA H 1 . 7.1 . . . . . . . . . . . . . . . . 5094 1 47 3JHNHA . 1 1 56 56 LYS H H 1 . . 1 1 56 56 LYS HA H 1 . 7.0 . . . . . . . . . . . . . . . . 5094 1 48 3JHNHA . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS HA H 1 . 8.8 . . . . . . . . . . . . . . . . 5094 1 49 3JHNHA . 1 1 58 58 CYS H H 1 . . 1 1 58 58 CYS HA H 1 . 5.8 . . . . . . . . . . . . . . . . 5094 1 50 3JHNHA . 1 1 59 59 THR H H 1 . . 1 1 59 59 THR HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 51 3JHNHA . 1 1 60 60 GLU H H 1 . . 1 1 60 60 GLU HA H 1 . 5.5 . . . . . . . . . . . . . . . . 5094 1 52 3JHNHA . 1 1 61 61 ASN H H 1 . . 1 1 61 61 ASN HA H 1 . 5.9 . . . . . . . . . . . . . . . . 5094 1 53 3JHNHA . 1 1 62 62 GLN H H 1 . . 1 1 62 62 GLN HA H 1 . 7.4 . . . . . . . . . . . . . . . . 5094 1 54 3JHNHA . 1 1 63 63 GLU H H 1 . . 1 1 63 63 GLU HA H 1 . 5.5 . . . . . . . . . . . . . . . . 5094 1 55 3JHNHA . 1 1 64 64 LYS H H 1 . . 1 1 64 64 LYS HA H 1 . 6.3 . . . . . . . . . . . . . . . . 5094 1 56 3JHNHA . 1 1 67 67 TYR H H 1 . . 1 1 67 67 TYR HA H 1 . 5.0 . . . . . . . . . . . . . . . . 5094 1 57 3JHNHA . 1 1 68 68 ARG H H 1 . . 1 1 68 68 ARG HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 58 3JHNHA . 1 1 69 69 VAL H H 1 . . 1 1 69 69 VAL HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 59 3JHNHA . 1 1 70 70 ILE H H 1 . . 1 1 70 70 ILE HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 60 3JHNHA . 1 1 71 71 GLU H H 1 . . 1 1 71 71 GLU HA H 1 . 4.9 . . . . . . . . . . . . . . . . 5094 1 61 3JHNHA . 1 1 72 72 HIS H H 1 . . 1 1 72 72 HIS HA H 1 . 6.4 . . . . . . . . . . . . . . . . 5094 1 62 3JHNHA . 1 1 73 73 LEU H H 1 . . 1 1 73 73 LEU HA H 1 . 4.1 . . . . . . . . . . . . . . . . 5094 1 63 3JHNHA . 1 1 74 74 ILE H H 1 . . 1 1 74 74 ILE HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 64 3JHNHA . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS HA H 1 . 6.4 . . . . . . . . . . . . . . . . 5094 1 65 3JHNHA . 1 1 76 76 ASN H H 1 . . 1 1 76 76 ASN HA H 1 . 9.2 . . . . . . . . . . . . . . . . 5094 1 66 3JHNHA . 1 1 77 77 GLU H H 1 . . 1 1 77 77 GLU HA H 1 . 7.7 . . . . . . . . . . . . . . . . 5094 1 67 3JHNHA . 1 1 78 78 ILE H H 1 . . 1 1 78 78 ILE HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 68 3JHNHA . 1 1 79 79 GLU H H 1 . . 1 1 79 79 GLU HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 69 3JHNHA . 1 1 80 80 ILE H H 1 . . 1 1 80 80 ILE HA H 1 . 5.2 . . . . . . . . . . . . . . . . 5094 1 70 3JHNHA . 1 1 81 81 TRP H H 1 . . 1 1 81 81 TRP HA H 1 . 6.5 . . . . . . . . . . . . . . . . 5094 1 71 3JHNHA . 1 1 82 82 ARG H H 1 . . 1 1 82 82 ARG HA H 1 . 6.5 . . . . . . . . . . . . . . . . 5094 1 72 3JHNHA . 1 1 83 83 GLU H H 1 . . 1 1 83 83 GLU HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 73 3JHNHA . 1 1 84 84 LEU H H 1 . . 1 1 84 84 LEU HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 74 3JHNHA . 1 1 85 85 THR H H 1 . . 1 1 85 85 THR HA H 1 . 6.5 . . . . . . . . . . . . . . . . 5094 1 75 3JHNHA . 1 1 86 86 ALA H H 1 . . 1 1 86 86 ALA HA H 1 . 5.1 . . . . . . . . . . . . . . . . 5094 1 76 3JHNHA . 1 1 87 87 LYS H H 1 . . 1 1 87 87 LYS HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 77 3JHNHA . 1 1 88 88 TYR H H 1 . . 1 1 88 88 TYR HA H 1 . 9.3 . . . . . . . . . . . . . . . . 5094 1 78 3JHNHA . 1 1 91 91 THR H H 1 . . 1 1 91 91 THR HA H 1 . 7.1 . . . . . . . . . . . . . . . . 5094 1 79 3JHNHA . 1 1 93 93 ASN H H 1 . . 1 1 93 93 ASN HA H 1 . 6.1 . . . . . . . . . . . . . . . . 5094 1 80 3JHNHA . 1 1 94 94 TRP H H 1 . . 1 1 94 94 TRP HA H 1 . 8.0 . . . . . . . . . . . . . . . . 5094 1 81 3JHNHA . 1 1 95 95 ARG H H 1 . . 1 1 95 95 ARG HA H 1 . 8.1 . . . . . . . . . . . . . . . . 5094 1 82 3JHNHA . 1 1 96 96 LYS H H 1 . . 1 1 96 96 LYS HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 83 3JHNHA . 1 1 97 97 LYS H H 1 . . 1 1 97 97 LYS HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 84 3JHNHA . 1 1 98 98 TYR H H 1 . . 1 1 98 98 TYR HA H 1 . 6.2 . . . . . . . . . . . . . . . . 5094 1 85 3JHNHA . 1 1 99 99 GLU H H 1 . . 1 1 99 99 GLU HA H 1 . 5.9 . . . . . . . . . . . . . . . . 5094 1 86 3JHNHA . 1 1 100 100 ASP H H 1 . . 1 1 100 100 ASP HA H 1 . 5.5 . . . . . . . . . . . . . . . . 5094 1 87 3JHNHA . 1 1 101 101 ARG H H 1 . . 1 1 101 101 ARG HA H 1 . 5.4 . . . . . . . . . . . . . . . . 5094 1 88 3JHNHA . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA HA H 1 . 5.6 . . . . . . . . . . . . . . . . 5094 1 89 3JHNHA . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS HA H 1 . 5.0 . . . . . . . . . . . . . . . . 5094 1 90 3JHNHA . 1 1 104 104 ALA H H 1 . . 1 1 104 104 ALA HA H 1 . 5.7 . . . . . . . . . . . . . . . . 5094 1 91 3JHNHA . 1 1 105 105 ALA H H 1 . . 1 1 105 105 ALA HA H 1 . 7.0 . . . . . . . . . . . . . . . . 5094 1 92 3JHNHA . 1 1 107 107 ILE H H 1 . . 1 1 107 107 ILE HA H 1 . 6.8 . . . . . . . . . . . . . . . . 5094 1 93 3JHNHA . 1 1 108 108 VAL H H 1 . . 1 1 108 108 VAL HA H 1 . 7.1 . . . . . . . . . . . . . . . . 5094 1 94 3JHNHA . 1 1 109 109 ILE H H 1 . . 1 1 109 109 ILE HA H 1 . 7.7 . . . . . . . . . . . . . . . . 5094 1 95 3JHNHA . 1 1 111 111 GLU H H 1 . . 1 1 111 111 GLU HA H 1 . 5.9 . . . . . . . . . . . . . . . . 5094 1 96 3JHNHA . 1 1 112 112 GLU H H 1 . . 1 1 112 112 GLU HA H 1 . 6.4 . . . . . . . . . . . . . . . . 5094 1 stop_ save_