data_4638 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4638 _Entry.Title ; SOLUTION STRUCTURE OF MNEI, A SWEET PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-12 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2001-05-07 _Entry.Original_release_date 2001-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 P. Temussi . A. . 4638 2 R. Spadaccini . . . 4638 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4638 coupling_constants 3 4638 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 102 4638 '1H chemical shifts' 604 4638 'coupling constants' 114 4638 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 . . 2001-05-07 2000-07-12 original author . 4638 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FA3 'BMRB Entry Tracking System' 4638 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4638 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11152608 _Citation.Full_citation . _Citation.Title ; Solution structure of a sweet protein: NMR study of MNEI, a single chain monellin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 305 _Citation.Journal_issue . _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 505 _Citation.Page_last 514 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Spadaccini . . . 4638 1 2 O. Crescenzi . O. . 4638 1 3 T. tancredi . . . 4638 1 4 N. 'De casamassimi' . . . 4638 1 5 G. saviano . . . 4638 1 6 R. scognamiglio . . . 4638 1 7 A. 'Di Donato' . . . 4638 1 8 P. Temussi . A. . 4638 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '1 helix' 4638 1 '5 stranded beta sheet' 4638 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MNEI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MNEI _Assembly.Entry_ID 4638 _Assembly.ID 1 _Assembly.Name 'MNEI, A SINGLE CHAIN SWEET 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 free' _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 4638 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 MNEI 1 $MNEI . . . native . . . . . 4638 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 . PDB 1FA3 . . . . . . 4638 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MNEI abbreviation 4638 1 'MNEI, A SINGLE CHAIN SWEET PROTEIN' system 4638 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MNEI _Entity.Sf_category entity _Entity.Sf_framecode MNEI _Entity.Entry_ID 4638 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MNEI SWEET PROTEIN RELATED TO MONELLIN' _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 ; GEWEIIDIGPFTQNLGKFAV DEENKIGQYGRLTFNKVIRP CMKKTIYENEGFREIKGYEY QLYVYASDKLFRADISEDYK TRGRKLLRFNGPVPPP ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4222 . monellin . . . . . 100.00 94 97.92 97.92 4.50e-59 . . . . 4638 1 2 no PDB 1FA3 . "Solution Structure Of Mnei, A Sweet Protein" . . . . . 100.00 96 100.00 100.00 1.39e-62 . . . . 4638 1 3 no PDB 1IV7 . "Crystal Structure Of Single Chain Monellin" . . . . . 100.00 96 100.00 100.00 1.39e-62 . . . . 4638 1 4 no PDB 1IV9 . "Crystal Structure Of Single Chain Monellin" . . . . . 100.00 96 97.92 97.92 6.66e-61 . . . . 4638 1 5 no PDB 1KRL . "Crystal Structure Of Racemic Dl-Monellin In P-1" . . . . . 50.00 50 100.00 100.00 1.50e-25 . . . . 4638 1 6 no PDB 1M9G . "Solution Structure Of G16a-Mnei, A Structural Mutant Of Single Chain Monellin Mnei" . . . . . 100.00 97 98.96 98.96 3.86e-62 . . . . 4638 1 7 no PDB 1MNL . "High-Resolution Solution Structure Of A Sweet Protein Single-Chain Monellin (Scm) Determined By Nuclear Magnetic Resonance Spec" . . . . . 100.00 94 97.92 97.92 4.50e-59 . . . . 4638 1 8 no PDB 1MOL . "Two Crystal Structures Of A Potently Sweet Protein: Natural Monellin At 2.75 Angstroms Resolution And Single-Chain Monellin At " . . . . . 100.00 94 97.92 97.92 4.50e-59 . . . . 4638 1 9 no PDB 2O9U . "Monellin (Mnei) At 1.15 Resolution" . . . . . 100.00 97 100.00 100.00 1.10e-62 . . . . 4638 1 10 no PDB 3MON . "Crystal Structures Of Two Intensely Sweet Proteins" . . . . . 52.08 50 100.00 100.00 5.00e-27 . . . . 4638 1 11 no PDB 3PXM . "Reduced Sweetness Of A Monellin (Mnei) Mutant Results From Increased Protein Flexibility And Disruption Of A Distant Poly-(L-Pr" . . . . . 100.00 97 98.96 98.96 3.61e-62 . . . . 4638 1 12 no PDB 3PYJ . "Reduced Sweetness Of A Monellin (Mnei) Mutant Results From Increased Protein Flexibility And Disruption Of A Distant Poly-(L-Pr" . . . . . 100.00 97 98.96 98.96 3.86e-62 . . . . 4638 1 13 no PDB 3Q2P . "Reduced Sweetness Of A Monellin (mnei) Mutant Results From Increased Protein Flexibility And Disruption Of A Distant Poly-(l-pr" . . . . . 100.00 97 97.92 97.92 1.40e-61 . . . . 4638 1 14 no PDB 4MON . "Orthorhombic Monellin" . . . . . 52.08 50 100.00 100.00 5.00e-27 . . . . 4638 1 15 no GB AFF58925 . "monellin [synthetic construct]" . . . . . 100.00 97 100.00 100.00 1.10e-62 . . . . 4638 1 16 no PRF 761801B . "monellin B" . . . . . 52.08 50 100.00 100.00 5.00e-27 . . . . 4638 1 17 no SP P02882 . "RecName: Full=Monellin chain B; AltName: Full=Monellin chain II" . . . . . 50.00 50 100.00 100.00 1.50e-25 . . . . 4638 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MNEI abbreviation 4638 1 'MNEI SWEET PROTEIN RELATED TO MONELLIN' common 4638 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 . GLY . 4638 1 2 . GLU . 4638 1 3 . TRP . 4638 1 4 . GLU . 4638 1 5 . ILE . 4638 1 6 . ILE . 4638 1 7 . ASP . 4638 1 8 . ILE . 4638 1 9 . GLY . 4638 1 10 . PRO . 4638 1 11 . PHE . 4638 1 12 . THR . 4638 1 13 . GLN . 4638 1 14 . ASN . 4638 1 15 . LEU . 4638 1 16 . GLY . 4638 1 17 . LYS . 4638 1 18 . PHE . 4638 1 19 . ALA . 4638 1 20 . VAL . 4638 1 21 . ASP . 4638 1 22 . GLU . 4638 1 23 . GLU . 4638 1 24 . ASN . 4638 1 25 . LYS . 4638 1 26 . ILE . 4638 1 27 . GLY . 4638 1 28 . GLN . 4638 1 29 . TYR . 4638 1 30 . GLY . 4638 1 31 . ARG . 4638 1 32 . LEU . 4638 1 33 . THR . 4638 1 34 . PHE . 4638 1 35 . ASN . 4638 1 36 . LYS . 4638 1 37 . VAL . 4638 1 38 . ILE . 4638 1 39 . ARG . 4638 1 40 . PRO . 4638 1 41 . CYS . 4638 1 42 . MET . 4638 1 43 . LYS . 4638 1 44 . LYS . 4638 1 45 . THR . 4638 1 46 . ILE . 4638 1 47 . TYR . 4638 1 48 . GLU . 4638 1 49 . ASN . 4638 1 50 . GLU . 4638 1 51 . GLY . 4638 1 52 . PHE . 4638 1 53 . ARG . 4638 1 54 . GLU . 4638 1 55 . ILE . 4638 1 56 . LYS . 4638 1 57 . GLY . 4638 1 58 . TYR . 4638 1 59 . GLU . 4638 1 60 . TYR . 4638 1 61 . GLN . 4638 1 62 . LEU . 4638 1 63 . TYR . 4638 1 64 . VAL . 4638 1 65 . TYR . 4638 1 66 . ALA . 4638 1 67 . SER . 4638 1 68 . ASP . 4638 1 69 . LYS . 4638 1 70 . LEU . 4638 1 71 . PHE . 4638 1 72 . ARG . 4638 1 73 . ALA . 4638 1 74 . ASP . 4638 1 75 . ILE . 4638 1 76 . SER . 4638 1 77 . GLU . 4638 1 78 . ASP . 4638 1 79 . TYR . 4638 1 80 . LYS . 4638 1 81 . THR . 4638 1 82 . ARG . 4638 1 83 . GLY . 4638 1 84 . ARG . 4638 1 85 . LYS . 4638 1 86 . LEU . 4638 1 87 . LEU . 4638 1 88 . ARG . 4638 1 89 . PHE . 4638 1 90 . ASN . 4638 1 91 . GLY . 4638 1 92 . PRO . 4638 1 93 . VAL . 4638 1 94 . PRO . 4638 1 95 . PRO . 4638 1 96 . PRO . 4638 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 . GLY 1 1 4638 1 . GLU 2 2 4638 1 . TRP 3 3 4638 1 . GLU 4 4 4638 1 . ILE 5 5 4638 1 . ILE 6 6 4638 1 . ASP 7 7 4638 1 . ILE 8 8 4638 1 . GLY 9 9 4638 1 . PRO 10 10 4638 1 . PHE 11 11 4638 1 . THR 12 12 4638 1 . GLN 13 13 4638 1 . ASN 14 14 4638 1 . LEU 15 15 4638 1 . GLY 16 16 4638 1 . LYS 17 17 4638 1 . PHE 18 18 4638 1 . ALA 19 19 4638 1 . VAL 20 20 4638 1 . ASP 21 21 4638 1 . GLU 22 22 4638 1 . GLU 23 23 4638 1 . ASN 24 24 4638 1 . LYS 25 25 4638 1 . ILE 26 26 4638 1 . GLY 27 27 4638 1 . GLN 28 28 4638 1 . TYR 29 29 4638 1 . GLY 30 30 4638 1 . ARG 31 31 4638 1 . LEU 32 32 4638 1 . THR 33 33 4638 1 . PHE 34 34 4638 1 . ASN 35 35 4638 1 . LYS 36 36 4638 1 . VAL 37 37 4638 1 . ILE 38 38 4638 1 . ARG 39 39 4638 1 . PRO 40 40 4638 1 . CYS 41 41 4638 1 . MET 42 42 4638 1 . LYS 43 43 4638 1 . LYS 44 44 4638 1 . THR 45 45 4638 1 . ILE 46 46 4638 1 . TYR 47 47 4638 1 . GLU 48 48 4638 1 . ASN 49 49 4638 1 . GLU 50 50 4638 1 . GLY 51 51 4638 1 . PHE 52 52 4638 1 . ARG 53 53 4638 1 . GLU 54 54 4638 1 . ILE 55 55 4638 1 . LYS 56 56 4638 1 . GLY 57 57 4638 1 . TYR 58 58 4638 1 . GLU 59 59 4638 1 . TYR 60 60 4638 1 . GLN 61 61 4638 1 . LEU 62 62 4638 1 . TYR 63 63 4638 1 . VAL 64 64 4638 1 . TYR 65 65 4638 1 . ALA 66 66 4638 1 . SER 67 67 4638 1 . ASP 68 68 4638 1 . LYS 69 69 4638 1 . LEU 70 70 4638 1 . PHE 71 71 4638 1 . ARG 72 72 4638 1 . ALA 73 73 4638 1 . ASP 74 74 4638 1 . ILE 75 75 4638 1 . SER 76 76 4638 1 . GLU 77 77 4638 1 . ASP 78 78 4638 1 . TYR 79 79 4638 1 . LYS 80 80 4638 1 . THR 81 81 4638 1 . ARG 82 82 4638 1 . GLY 83 83 4638 1 . ARG 84 84 4638 1 . LYS 85 85 4638 1 . LEU 86 86 4638 1 . LEU 87 87 4638 1 . ARG 88 88 4638 1 . PHE 89 89 4638 1 . ASN 90 90 4638 1 . GLY 91 91 4638 1 . PRO 92 92 4638 1 . VAL 93 93 4638 1 . PRO 94 94 4638 1 . PRO 95 95 4638 1 . PRO 96 96 4638 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 4638 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MNEI . 3457 organism . 'Discoreophyllum cuminsii' 'serendipity berry' . . Eukaryota Viridiplantae Discoreophyllum cuminsii . . . . . . . . . . . . . . . . . . . . . 4638 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 4638 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MNEI . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . PET-22B+ . . . . . . 4638 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4638 _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 'MNEI SWEET PROTEIN RELATED TO MONELLIN' [U-15N] . . 1 $MNEI . . 2 . . mM . . . . 4638 1 2 'phosphate buffer K' . . . . . . . 18.5 . . mM . . . . 4638 1 3 H2O . . . . . . . 90 . . % . . . . 4638 1 4 D2O . . . . . . . 10 . . % . . . . 4638 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4638 _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 'MNEI SWEET PROTEIN RELATED TO MONELLIN' . . . 1 $MNEI . . 2 . . mM . . . . 4638 2 2 'phosphate buffer K' . . . . . . . 18.5 . . mM . . . . 4638 2 3 H2O . . . . . . . 90 . . % . . . . 4638 2 4 D2O . . . . . . . 10 . . % . . . . 4638 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4638 _Sample.ID 3 _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 'MNEI SWEET PROTEIN RELATED TO MONELLIN' . . . 1 $MNEI . . 2 . . mM . . . . 4638 3 2 'phosphate buffer K' . . . . . . . 18.5 . . mM . . . . 4638 3 3 D2O . . . . . . . 100 . . % . . . . 4638 3 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 4638 _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 'ionic strength' 18.5 . mM 4638 1 pH 2.9 . pH 4638 1 pressure 1 . atm 4638 1 temperature 308 . K 4638 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4638 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4638 1 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4638 _Software.ID 2 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4638 2 stop_ save_ save_AMBER_ _Software.Sf_category software _Software.Sf_framecode AMBER_ _Software.Entry_ID 4638 _Software.ID 3 _Software.Name AMBER _Software.Version 5.0 _Software.Details Kollman loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4638 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4638 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4638 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4638 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 4638 _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 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 2 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 3 HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 4 HNHB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 5 E-COSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 6 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4638 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4638 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4638 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4638 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 4638 _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_ref_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4638 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.173 0.000 . . . . . . . . . . 4638 1 2 . 1 1 1 1 GLY H H 1 8.972 0.000 . . . . . . . . . . 4638 1 3 . 1 1 1 1 GLY N N 15 112.885 0.000 . . . . . . . . . . 4638 1 4 . 1 1 2 2 GLU HA H 1 4.444 0.000 . . . . . . . . . . 4638 1 5 . 1 1 2 2 GLU HB2 H 1 2.160 0.000 . . . . . . . . . . 4638 1 6 . 1 1 2 2 GLU HB3 H 1 2.060 0.000 . . . . . . . . . . 4638 1 7 . 1 1 2 2 GLU HG2 H 1 2.433 0.000 . . . . . . . . . . 4638 1 8 . 1 1 2 2 GLU H H 1 8.616 0.000 . . . . . . . . . . 4638 1 9 . 1 1 2 2 GLU N N 15 120.764 0.000 . . . . . . . . . . 4638 1 10 . 1 1 3 3 TRP HA H 1 4.817 0.000 . . . . . . . . . . 4638 1 11 . 1 1 3 3 TRP HB2 H 1 3.172 0.000 . . . . . . . . . . 4638 1 12 . 1 1 3 3 TRP HD1 H 1 7.420 0.000 . . . . . . . . . . 4638 1 13 . 1 1 3 3 TRP HE1 H 1 10.114 0.000 . . . . . . . . . . 4638 1 14 . 1 1 3 3 TRP HE3 H 1 7.328 0.000 . . . . . . . . . . 4638 1 15 . 1 1 3 3 TRP H H 1 8.245 0.000 . . . . . . . . . . 4638 1 16 . 1 1 3 3 TRP HZ2 H 1 6.910 0.000 . . . . . . . . . . 4638 1 17 . 1 1 3 3 TRP HZ3 H 1 6.917 0.000 . . . . . . . . . . 4638 1 18 . 1 1 3 3 TRP NE1 N 15 130.025 0.000 . . . . . . . . . . 4638 1 19 . 1 1 3 3 TRP N N 15 121.007 0.000 . . . . . . . . . . 4638 1 20 . 1 1 4 4 GLU HA H 1 4.930 0.000 . . . . . . . . . . 4638 1 21 . 1 1 4 4 GLU HB2 H 1 2.248 0.000 . . . . . . . . . . 4638 1 22 . 1 1 4 4 GLU HB3 H 1 2.129 0.000 . . . . . . . . . . 4638 1 23 . 1 1 4 4 GLU HG2 H 1 2.582 0.000 . . . . . . . . . . 4638 1 24 . 1 1 4 4 GLU H H 1 9.513 0.000 . . . . . . . . . . 4638 1 25 . 1 1 4 4 GLU N N 15 122.856 0.000 . . . . . . . . . . 4638 1 26 . 1 1 5 5 ILE HA H 1 4.851 0.000 . . . . . . . . . . 4638 1 27 . 1 1 5 5 ILE HB H 1 1.968 0.000 . . . . . . . . . . 4638 1 28 . 1 1 5 5 ILE HG12 H 1 1.780 0.000 . . . . . . . . . . 4638 1 29 . 1 1 5 5 ILE HG13 H 1 1.382 0.000 . . . . . . . . . . 4638 1 30 . 1 1 5 5 ILE H H 1 8.748 0.000 . . . . . . . . . . 4638 1 31 . 1 1 5 5 ILE HD11 H 1 0.990 0.000 . 1 . . . . . . . . 4638 1 32 . 1 1 5 5 ILE HD12 H 1 0.990 0.000 . 1 . . . . . . . . 4638 1 33 . 1 1 5 5 ILE HD13 H 1 0.990 0.000 . 1 . . . . . . . . 4638 1 34 . 1 1 5 5 ILE HG21 H 1 1.125 0.000 . 1 . . . . . . . . 4638 1 35 . 1 1 5 5 ILE HG22 H 1 1.125 0.000 . 1 . . . . . . . . 4638 1 36 . 1 1 5 5 ILE HG23 H 1 1.125 0.000 . 1 . . . . . . . . 4638 1 37 . 1 1 5 5 ILE N N 15 125.476 0.000 . . . . . . . . . . 4638 1 38 . 1 1 6 6 ILE HA H 1 4.875 0.000 . . . . . . . . . . 4638 1 39 . 1 1 6 6 ILE HB H 1 2.113 0.000 . . . . . . . . . . 4638 1 40 . 1 1 6 6 ILE HG12 H 1 1.545 0.000 . . . . . . . . . . 4638 1 41 . 1 1 6 6 ILE H H 1 8.569 0.000 . . . . . . . . . . 4638 1 42 . 1 1 6 6 ILE HD11 H 1 1.111 0.000 . 1 . . . . . . . . 4638 1 43 . 1 1 6 6 ILE HD12 H 1 1.111 0.000 . 1 . . . . . . . . 4638 1 44 . 1 1 6 6 ILE HD13 H 1 1.111 0.000 . 1 . . . . . . . . 4638 1 45 . 1 1 6 6 ILE HG21 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 46 . 1 1 6 6 ILE HG22 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 47 . 1 1 6 6 ILE HG23 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 48 . 1 1 6 6 ILE N N 15 123.240 0.000 . . . . . . . . . . 4638 1 49 . 1 1 7 7 ASP HA H 1 4.786 0.000 . . . . . . . . . . 4638 1 50 . 1 1 7 7 ASP HB2 H 1 2.885 0.000 . . . . . . . . . . 4638 1 51 . 1 1 7 7 ASP H H 1 8.345 0.000 . . . . . . . . . . 4638 1 52 . 1 1 7 7 ASP N N 15 120.637 0.000 . . . . . . . . . . 4638 1 53 . 1 1 8 8 ILE HA H 1 4.577 0.000 . . . . . . . . . . 4638 1 54 . 1 1 8 8 ILE HB H 1 2.013 0.000 . . . . . . . . . . 4638 1 55 . 1 1 8 8 ILE HG12 H 1 1.584 0.000 . . . . . . . . . . 4638 1 56 . 1 1 8 8 ILE HG13 H 1 1.381 0.000 . . . . . . . . . . 4638 1 57 . 1 1 8 8 ILE H H 1 8.133 0.000 . . . . . . . . . . 4638 1 58 . 1 1 8 8 ILE HD11 H 1 0.952 0.000 . 1 . . . . . . . . 4638 1 59 . 1 1 8 8 ILE HD12 H 1 0.952 0.000 . 1 . . . . . . . . 4638 1 60 . 1 1 8 8 ILE HD13 H 1 0.952 0.000 . 1 . . . . . . . . 4638 1 61 . 1 1 8 8 ILE HG21 H 1 0.992 0.000 . 1 . . . . . . . . 4638 1 62 . 1 1 8 8 ILE HG22 H 1 0.992 0.000 . 1 . . . . . . . . 4638 1 63 . 1 1 8 8 ILE HG23 H 1 0.992 0.000 . 1 . . . . . . . . 4638 1 64 . 1 1 8 8 ILE N N 15 117.866 0.000 . . . . . . . . . . 4638 1 65 . 1 1 9 9 GLY HA2 H 1 4.316 0.000 . . . . . . . . . . 4638 1 66 . 1 1 9 9 GLY H H 1 8.120 0.000 . . . . . . . . . . 4638 1 67 . 1 1 9 9 GLY N N 15 113.666 0.000 . . . . . . . . . . 4638 1 68 . 1 1 10 10 PRO HA H 1 4.294 0.000 . . . . . . . . . . 4638 1 69 . 1 1 10 10 PRO HB2 H 1 2.297 0.000 . . . . . . . . . . 4638 1 70 . 1 1 10 10 PRO HB3 H 1 2.509 0.000 . . . . . . . . . . 4638 1 71 . 1 1 10 10 PRO HD2 H 1 3.892 0.000 . . . . . . . . . . 4638 1 72 . 1 1 10 10 PRO HD3 H 1 3.756 0.000 . . . . . . . . . . 4638 1 73 . 1 1 10 10 PRO HG2 H 1 2.140 0.000 . . . . . . . . . . 4638 1 74 . 1 1 11 11 PHE HA H 1 4.325 0.000 . . . . . . . . . . 4638 1 75 . 1 1 11 11 PHE HB2 H 1 3.328 0.000 . . . . . . . . . . 4638 1 76 . 1 1 11 11 PHE HB3 H 1 3.133 0.000 . . . . . . . . . . 4638 1 77 . 1 1 11 11 PHE HD1 H 1 7.162 0.000 . 1 . . . . . . . . 4638 1 78 . 1 1 11 11 PHE HD2 H 1 7.162 0.000 . 1 . . . . . . . . 4638 1 79 . 1 1 11 11 PHE H H 1 8.578 0.000 . . . . . . . . . . 4638 1 80 . 1 1 11 11 PHE N N 15 118.376 0.000 . . . . . . . . . . 4638 1 81 . 1 1 12 12 THR HA H 1 3.754 0.000 . . . . . . . . . . 4638 1 82 . 1 1 12 12 THR HB H 1 4.390 0.000 . . . . . . . . . . 4638 1 83 . 1 1 12 12 THR H H 1 7.786 0.000 . . . . . . . . . . 4638 1 84 . 1 1 12 12 THR HG21 H 1 1.513 0.000 . 1 . . . . . . . . 4638 1 85 . 1 1 12 12 THR HG22 H 1 1.513 0.000 . 1 . . . . . . . . 4638 1 86 . 1 1 12 12 THR HG23 H 1 1.513 0.000 . 1 . . . . . . . . 4638 1 87 . 1 1 12 12 THR N N 15 113.474 0.000 . . . . . . . . . . 4638 1 88 . 1 1 13 13 GLN HA H 1 4.285 0.000 . . . . . . . . . . 4638 1 89 . 1 1 13 13 GLN HB2 H 1 2.403 0.000 . . . . . . . . . . 4638 1 90 . 1 1 13 13 GLN HB3 H 1 2.232 0.000 . . . . . . . . . . 4638 1 91 . 1 1 13 13 GLN HG2 H 1 2.626 0.000 . . . . . . . . . . 4638 1 92 . 1 1 13 13 GLN H H 1 8.506 0.000 . . . . . . . . . . 4638 1 93 . 1 1 13 13 GLN N N 15 121.814 0.000 . . . . . . . . . . 4638 1 94 . 1 1 14 14 ASN HA H 1 4.307 0.000 . . . . . . . . . . 4638 1 95 . 1 1 14 14 ASN HB2 H 1 2.882 0.000 . . . . . . . . . . 4638 1 96 . 1 1 14 14 ASN HB3 H 1 2.709 0.000 . . . . . . . . . . 4638 1 97 . 1 1 14 14 ASN HD21 H 1 7.479 0.000 . . . . . . . . . . 4638 1 98 . 1 1 14 14 ASN HD22 H 1 6.949 0.000 . . . . . . . . . . 4638 1 99 . 1 1 14 14 ASN H H 1 8.051 0.000 . . . . . . . . . . 4638 1 100 . 1 1 14 14 ASN ND2 N 15 113.130 0.000 . . . . . . . . . . 4638 1 101 . 1 1 14 14 ASN N N 15 117.736 0.000 . . . . . . . . . . 4638 1 102 . 1 1 15 15 LEU HA H 1 3.889 0.000 . . . . . . . . . . 4638 1 103 . 1 1 15 15 LEU HB2 H 1 1.848 0.000 . . . . . . . . . . 4638 1 104 . 1 1 15 15 LEU HG H 1 1.098 0.000 . . . . . . . . . . 4638 1 105 . 1 1 15 15 LEU H H 1 7.537 0.000 . . . . . . . . . . 4638 1 106 . 1 1 15 15 LEU HD11 H 1 0.245 0.000 . 1 . . . . . . . . 4638 1 107 . 1 1 15 15 LEU HD12 H 1 0.245 0.000 . 1 . . . . . . . . 4638 1 108 . 1 1 15 15 LEU HD13 H 1 0.245 0.000 . 1 . . . . . . . . 4638 1 109 . 1 1 15 15 LEU HD21 H 1 -0.027 0.000 . 1 . . . . . . . . 4638 1 110 . 1 1 15 15 LEU HD22 H 1 -0.027 0.000 . 1 . . . . . . . . 4638 1 111 . 1 1 15 15 LEU HD23 H 1 -0.027 0.000 . 1 . . . . . . . . 4638 1 112 . 1 1 15 15 LEU N N 15 122.625 0.000 . . . . . . . . . . 4638 1 113 . 1 1 16 16 GLY HA2 H 1 3.563 0.000 . . . . . . . . . . 4638 1 114 . 1 1 16 16 GLY H H 1 7.981 0.000 . . . . . . . . . . 4638 1 115 . 1 1 16 16 GLY N N 15 107.654 0.000 . . . . . . . . . . 4638 1 116 . 1 1 17 17 LYS HA H 1 3.139 0.000 . . . . . . . . . . 4638 1 117 . 1 1 17 17 LYS HB2 H 1 1.226 0.000 . . . . . . . . . . 4638 1 118 . 1 1 17 17 LYS HD2 H 1 1.610 0.000 . . . . . . . . . . 4638 1 119 . 1 1 17 17 LYS HG2 H 1 0.827 0.000 . . . . . . . . . . 4638 1 120 . 1 1 17 17 LYS H H 1 7.607 0.000 . . . . . . . . . . 4638 1 121 . 1 1 17 17 LYS N N 15 123.491 0.000 . . . . . . . . . . 4638 1 122 . 1 1 18 18 PHE HA H 1 4.290 0.000 . . . . . . . . . . 4638 1 123 . 1 1 18 18 PHE HB2 H 1 3.285 0.000 . . . . . . . . . . 4638 1 124 . 1 1 18 18 PHE HD1 H 1 7.237 0.000 . 1 . . . . . . . . 4638 1 125 . 1 1 18 18 PHE HD2 H 1 7.237 0.000 . 1 . . . . . . . . 4638 1 126 . 1 1 18 18 PHE HE1 H 1 7.160 0.000 . 1 . . . . . . . . 4638 1 127 . 1 1 18 18 PHE HE2 H 1 7.160 0.000 . 1 . . . . . . . . 4638 1 128 . 1 1 18 18 PHE H H 1 7.807 0.000 . . . . . . . . . . 4638 1 129 . 1 1 18 18 PHE HZ H 1 7.114 0.000 . . . . . . . . . . 4638 1 130 . 1 1 18 18 PHE N N 15 120.501 0.000 . . . . . . . . . . 4638 1 131 . 1 1 19 19 ALA HA H 1 3.660 0.000 . . . . . . . . . . 4638 1 132 . 1 1 19 19 ALA H H 1 8.211 0.000 . . . . . . . . . . 4638 1 133 . 1 1 19 19 ALA HB1 H 1 1.637 0.000 . 1 . . . . . . . . 4638 1 134 . 1 1 19 19 ALA HB2 H 1 1.637 0.000 . 1 . . . . . . . . 4638 1 135 . 1 1 19 19 ALA HB3 H 1 1.637 0.000 . 1 . . . . . . . . 4638 1 136 . 1 1 19 19 ALA N N 15 121.425 0.000 . . . . . . . . . . 4638 1 137 . 1 1 20 20 VAL HA H 1 3.057 0.000 . . . . . . . . . . 4638 1 138 . 1 1 20 20 VAL HB H 1 2.122 0.000 . . . . . . . . . . 4638 1 139 . 1 1 20 20 VAL H H 1 7.840 0.000 . . . . . . . . . . 4638 1 140 . 1 1 20 20 VAL HG11 H 1 1.201 0.000 . 1 . . . . . . . . 4638 1 141 . 1 1 20 20 VAL HG12 H 1 1.201 0.000 . 1 . . . . . . . . 4638 1 142 . 1 1 20 20 VAL HG13 H 1 1.201 0.000 . 1 . . . . . . . . 4638 1 143 . 1 1 20 20 VAL HG21 H 1 0.824 0.000 . 1 . . . . . . . . 4638 1 144 . 1 1 20 20 VAL HG22 H 1 0.824 0.000 . 1 . . . . . . . . 4638 1 145 . 1 1 20 20 VAL HG23 H 1 0.824 0.000 . 1 . . . . . . . . 4638 1 146 . 1 1 20 20 VAL N N 15 116.959 0.000 . . . . . . . . . . 4638 1 147 . 1 1 21 21 ASP HA H 1 4.334 0.000 . . . . . . . . . . 4638 1 148 . 1 1 21 21 ASP HB2 H 1 2.916 0.000 . . . . . . . . . . 4638 1 149 . 1 1 21 21 ASP HB3 H 1 2.709 0.000 . . . . . . . . . . 4638 1 150 . 1 1 21 21 ASP H H 1 8.546 0.000 . . . . . . . . . . 4638 1 151 . 1 1 21 21 ASP N N 15 121.010 0.000 . . . . . . . . . . 4638 1 152 . 1 1 22 22 GLU HA H 1 3.899 0.000 . . . . . . . . . . 4638 1 153 . 1 1 22 22 GLU HB2 H 1 1.652 0.000 . . . . . . . . . . 4638 1 154 . 1 1 22 22 GLU HB3 H 1 1.772 0.000 . . . . . . . . . . 4638 1 155 . 1 1 22 22 GLU H H 1 8.320 0.000 . . . . . . . . . . 4638 1 156 . 1 1 22 22 GLU N N 15 119.219 0.000 . . . . . . . . . . 4638 1 157 . 1 1 23 23 GLU HA H 1 3.877 0.000 . . . . . . . . . . 4638 1 158 . 1 1 23 23 GLU HB2 H 1 1.215 0.000 . . . . . . . . . . 4638 1 159 . 1 1 23 23 GLU HB3 H 1 1.081 0.000 . . . . . . . . . . 4638 1 160 . 1 1 23 23 GLU HG2 H 1 1.794 0.000 . . . . . . . . . . 4638 1 161 . 1 1 23 23 GLU H H 1 8.372 0.000 . . . . . . . . . . 4638 1 162 . 1 1 23 23 GLU N N 15 122.957 0.000 . . . . . . . . . . 4638 1 163 . 1 1 24 24 ASN HA H 1 4.636 0.000 . . . . . . . . . . 4638 1 164 . 1 1 24 24 ASN HB2 H 1 2.982 0.000 . . . . . . . . . . 4638 1 165 . 1 1 24 24 ASN HB3 H 1 2.723 0.000 . . . . . . . . . . 4638 1 166 . 1 1 24 24 ASN H H 1 8.756 0.000 . . . . . . . . . . 4638 1 167 . 1 1 24 24 ASN N N 15 122.663 0.000 . . . . . . . . . . 4638 1 168 . 1 1 25 25 LYS HA H 1 4.124 0.000 . . . . . . . . . . 4638 1 169 . 1 1 25 25 LYS HB2 H 1 1.969 0.000 . . . . . . . . . . 4638 1 170 . 1 1 25 25 LYS HD2 H 1 1.668 0.000 . . . . . . . . . . 4638 1 171 . 1 1 25 25 LYS HE2 H 1 2.946 0.000 . . . . . . . . . . 4638 1 172 . 1 1 25 25 LYS HG2 H 1 1.440 0.000 . . . . . . . . . . 4638 1 173 . 1 1 25 25 LYS H H 1 7.245 0.000 . . . . . . . . . . 4638 1 174 . 1 1 25 25 LYS N N 15 120.090 0.000 . . . . . . . . . . 4638 1 175 . 1 1 26 26 ILE HA H 1 3.921 0.000 . . . . . . . . . . 4638 1 176 . 1 1 26 26 ILE HB H 1 1.922 0.000 . . . . . . . . . . 4638 1 177 . 1 1 26 26 ILE HG12 H 1 1.647 0.000 . . . . . . . . . . 4638 1 178 . 1 1 26 26 ILE HG13 H 1 1.195 0.000 . . . . . . . . . . 4638 1 179 . 1 1 26 26 ILE H H 1 7.346 0.000 . . . . . . . . . . 4638 1 180 . 1 1 26 26 ILE HD11 H 1 0.875 0.000 . 1 . . . . . . . . 4638 1 181 . 1 1 26 26 ILE HD12 H 1 0.875 0.000 . 1 . . . . . . . . 4638 1 182 . 1 1 26 26 ILE HD13 H 1 0.875 0.000 . 1 . . . . . . . . 4638 1 183 . 1 1 26 26 ILE HG21 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 184 . 1 1 26 26 ILE HG22 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 185 . 1 1 26 26 ILE HG23 H 1 1.038 0.000 . 1 . . . . . . . . 4638 1 186 . 1 1 26 26 ILE N N 15 119.803 0.000 . . . . . . . . . . 4638 1 187 . 1 1 27 27 GLY HA2 H 1 4.136 0.000 . . . . . . . . . . 4638 1 188 . 1 1 27 27 GLY HA3 H 1 3.842 0.000 . . . . . . . . . . 4638 1 189 . 1 1 27 27 GLY H H 1 8.220 0.000 . . . . . . . . . . 4638 1 190 . 1 1 27 27 GLY N N 15 104.902 0.000 . . . . . . . . . . 4638 1 191 . 1 1 28 28 GLN HA H 1 4.013 0.000 . . . . . . . . . . 4638 1 192 . 1 1 28 28 GLN HB2 H 1 1.780 0.000 . . . . . . . . . . 4638 1 193 . 1 1 28 28 GLN HG2 H 1 2.003 0.000 . . . . . . . . . . 4638 1 194 . 1 1 28 28 GLN H H 1 6.855 0.000 . . . . . . . . . . 4638 1 195 . 1 1 28 28 GLN N N 15 119.638 0.000 . . . . . . . . . . 4638 1 196 . 1 1 29 29 TYR HA H 1 4.780 0.000 . . . . . . . . . . 4638 1 197 . 1 1 29 29 TYR HB2 H 1 3.505 0.000 . . . . . . . . . . 4638 1 198 . 1 1 29 29 TYR HB3 H 1 2.392 0.000 . . . . . . . . . . 4638 1 199 . 1 1 29 29 TYR HD1 H 1 7.153 0.000 . 1 . . . . . . . . 4638 1 200 . 1 1 29 29 TYR HD2 H 1 7.153 0.000 . 1 . . . . . . . . 4638 1 201 . 1 1 29 29 TYR HE1 H 1 7.170 0.000 . 1 . . . . . . . . 4638 1 202 . 1 1 29 29 TYR HE2 H 1 7.170 0.000 . 1 . . . . . . . . 4638 1 203 . 1 1 29 29 TYR H H 1 8.552 0.000 . . . . . . . . . . 4638 1 204 . 1 1 29 29 TYR N N 15 117.307 0.000 . . . . . . . . . . 4638 1 205 . 1 1 30 30 GLY HA2 H 1 4.150 0.000 . . . . . . . . . . 4638 1 206 . 1 1 30 30 GLY HA3 H 1 3.758 0.000 . . . . . . . . . . 4638 1 207 . 1 1 30 30 GLY H H 1 7.337 0.000 . . . . . . . . . . 4638 1 208 . 1 1 30 30 GLY N N 15 107.330 0.000 . . . . . . . . . . 4638 1 209 . 1 1 31 31 ARG HA H 1 4.300 0.000 . . . . . . . . . . 4638 1 210 . 1 1 31 31 ARG HB2 H 1 1.796 0.000 . . . . . . . . . . 4638 1 211 . 1 1 31 31 ARG HB3 H 1 1.690 0.000 . . . . . . . . . . 4638 1 212 . 1 1 31 31 ARG HD2 H 1 3.182 0.000 . . . . . . . . . . 4638 1 213 . 1 1 31 31 ARG HG2 H 1 1.523 0.000 . . . . . . . . . . 4638 1 214 . 1 1 31 31 ARG H H 1 8.451 0.000 . . . . . . . . . . 4638 1 215 . 1 1 31 31 ARG HE H 1 7.156 0.000 . . . . . . . . . . 4638 1 216 . 1 1 31 31 ARG NE N 15 115.143 0.000 . . . . . . . . . . 4638 1 217 . 1 1 31 31 ARG N N 15 123.728 0.000 . . . . . . . . . . 4638 1 218 . 1 1 32 32 LEU HA H 1 4.852 0.000 . . . . . . . . . . 4638 1 219 . 1 1 32 32 LEU HB2 H 1 1.744 0.000 . . . . . . . . . . 4638 1 220 . 1 1 32 32 LEU HB3 H 1 1.013 0.000 . . . . . . . . . . 4638 1 221 . 1 1 32 32 LEU HG H 1 1.586 0.000 . . . . . . . . . . 4638 1 222 . 1 1 32 32 LEU H H 1 9.615 0.000 . . . . . . . . . . 4638 1 223 . 1 1 32 32 LEU HD11 H 1 0.849 0.000 . 1 . . . . . . . . 4638 1 224 . 1 1 32 32 LEU HD12 H 1 0.849 0.000 . 1 . . . . . . . . 4638 1 225 . 1 1 32 32 LEU HD13 H 1 0.849 0.000 . 1 . . . . . . . . 4638 1 226 . 1 1 32 32 LEU HD21 H 1 0.301 0.000 . 1 . . . . . . . . 4638 1 227 . 1 1 32 32 LEU HD22 H 1 0.301 0.000 . 1 . . . . . . . . 4638 1 228 . 1 1 32 32 LEU HD23 H 1 0.301 0.000 . 1 . . . . . . . . 4638 1 229 . 1 1 32 32 LEU N N 15 130.486 0.000 . . . . . . . . . . 4638 1 230 . 1 1 33 33 THR HA H 1 4.537 0.000 . . . . . . . . . . 4638 1 231 . 1 1 33 33 THR HB H 1 4.023 0.000 . . . . . . . . . . 4638 1 232 . 1 1 33 33 THR H H 1 8.396 0.000 . . . . . . . . . . 4638 1 233 . 1 1 33 33 THR HG21 H 1 1.262 0.000 . 1 . . . . . . . . 4638 1 234 . 1 1 33 33 THR HG22 H 1 1.262 0.000 . 1 . . . . . . . . 4638 1 235 . 1 1 33 33 THR HG23 H 1 1.262 0.000 . 1 . . . . . . . . 4638 1 236 . 1 1 33 33 THR N N 15 118.001 0.000 . . . . . . . . . . 4638 1 237 . 1 1 34 34 PHE HA H 1 4.101 0.000 . . . . . . . . . . 4638 1 238 . 1 1 34 34 PHE HB2 H 1 3.088 0.000 . . . . . . . . . . 4638 1 239 . 1 1 34 34 PHE HB3 H 1 3.030 0.000 . . . . . . . . . . 4638 1 240 . 1 1 34 34 PHE HD1 H 1 7.070 0.000 . 1 . . . . . . . . 4638 1 241 . 1 1 34 34 PHE HD2 H 1 7.070 0.000 . 1 . . . . . . . . 4638 1 242 . 1 1 34 34 PHE HE1 H 1 7.246 0.000 . 1 . . . . . . . . 4638 1 243 . 1 1 34 34 PHE HE2 H 1 7.246 0.000 . 1 . . . . . . . . 4638 1 244 . 1 1 34 34 PHE H H 1 9.390 0.000 . . . . . . . . . . 4638 1 245 . 1 1 34 34 PHE HZ H 1 7.730 0.000 . . . . . . . . . . 4638 1 246 . 1 1 34 34 PHE N N 15 128.406 0.000 . . . . . . . . . . 4638 1 247 . 1 1 35 35 ASN HA H 1 4.854 0.000 . . . . . . . . . . 4638 1 248 . 1 1 35 35 ASN HB2 H 1 2.812 0.000 . . . . . . . . . . 4638 1 249 . 1 1 35 35 ASN HB3 H 1 2.596 0.000 . . . . . . . . . . 4638 1 250 . 1 1 35 35 ASN HD21 H 1 7.047 0.000 . . . . . . . . . . 4638 1 251 . 1 1 35 35 ASN HD22 H 1 6.949 0.000 . . . . . . . . . . 4638 1 252 . 1 1 35 35 ASN H H 1 8.451 0.000 . . . . . . . . . . 4638 1 253 . 1 1 35 35 ASN ND2 N 15 108.018 0.000 . . . . . . . . . . 4638 1 254 . 1 1 35 35 ASN N N 15 126.002 0.000 . . . . . . . . . . 4638 1 255 . 1 1 36 36 LYS HA H 1 4.440 0.000 . . . . . . . . . . 4638 1 256 . 1 1 36 36 LYS HB2 H 1 2.159 0.000 . . . . . . . . . . 4638 1 257 . 1 1 36 36 LYS HD2 H 1 1.786 0.000 . . . . . . . . . . 4638 1 258 . 1 1 36 36 LYS HG2 H 1 1.197 0.000 . . . . . . . . . . 4638 1 259 . 1 1 36 36 LYS H H 1 7.139 0.000 . . . . . . . . . . 4638 1 260 . 1 1 36 36 LYS N N 15 111.296 0.000 . . . . . . . . . . 4638 1 261 . 1 1 37 37 VAL HA H 1 5.117 0.000 . . . . . . . . . . 4638 1 262 . 1 1 37 37 VAL HB H 1 2.101 0.000 . . . . . . . . . . 4638 1 263 . 1 1 37 37 VAL H H 1 9.180 0.000 . . . . . . . . . . 4638 1 264 . 1 1 37 37 VAL HG11 H 1 1.373 0.000 . 1 . . . . . . . . 4638 1 265 . 1 1 37 37 VAL HG12 H 1 1.373 0.000 . 1 . . . . . . . . 4638 1 266 . 1 1 37 37 VAL HG13 H 1 1.373 0.000 . 1 . . . . . . . . 4638 1 267 . 1 1 37 37 VAL HG21 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 268 . 1 1 37 37 VAL HG22 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 269 . 1 1 37 37 VAL HG23 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 270 . 1 1 37 37 VAL N N 15 122.231 0.000 . . . . . . . . . . 4638 1 271 . 1 1 38 38 ILE HA H 1 4.901 0.000 . . . . . . . . . . 4638 1 272 . 1 1 38 38 ILE HB H 1 2.202 0.000 . . . . . . . . . . 4638 1 273 . 1 1 38 38 ILE HG12 H 1 2.205 0.000 . . . . . . . . . . 4638 1 274 . 1 1 38 38 ILE HG13 H 1 1.449 0.000 . . . . . . . . . . 4638 1 275 . 1 1 38 38 ILE H H 1 7.875 0.000 . . . . . . . . . . 4638 1 276 . 1 1 38 38 ILE HD11 H 1 0.787 0.000 . 1 . . . . . . . . 4638 1 277 . 1 1 38 38 ILE HD12 H 1 0.787 0.000 . 1 . . . . . . . . 4638 1 278 . 1 1 38 38 ILE HD13 H 1 0.787 0.000 . 1 . . . . . . . . 4638 1 279 . 1 1 38 38 ILE HG21 H 1 1.081 0.000 . 1 . . . . . . . . 4638 1 280 . 1 1 38 38 ILE HG22 H 1 1.081 0.000 . 1 . . . . . . . . 4638 1 281 . 1 1 38 38 ILE HG23 H 1 1.081 0.000 . 1 . . . . . . . . 4638 1 282 . 1 1 38 38 ILE N N 15 118.232 0.000 . . . . . . . . . . 4638 1 283 . 1 1 39 39 ARG HA H 1 4.407 0.000 . . . . . . . . . . 4638 1 284 . 1 1 39 39 ARG HB2 H 1 1.828 0.000 . . . . . . . . . . 4638 1 285 . 1 1 39 39 ARG HD2 H 1 3.335 0.000 . . . . . . . . . . 4638 1 286 . 1 1 39 39 ARG HG2 H 1 1.933 0.000 . . . . . . . . . . 4638 1 287 . 1 1 39 39 ARG H H 1 8.263 0.000 . . . . . . . . . . 4638 1 288 . 1 1 39 39 ARG HE H 1 7.423 0.000 . . . . . . . . . . 4638 1 289 . 1 1 39 39 ARG NE N 15 115.825 0.000 . . . . . . . . . . 4638 1 290 . 1 1 39 39 ARG N N 15 119.952 0.000 . . . . . . . . . . 4638 1 291 . 1 1 40 40 PRO HA H 1 4.848 0.000 . . . . . . . . . . 4638 1 292 . 1 1 40 40 PRO HB2 H 1 2.417 0.000 . . . . . . . . . . 4638 1 293 . 1 1 40 40 PRO HB3 H 1 1.953 0.000 . . . . . . . . . . 4638 1 294 . 1 1 41 41 CYS HA H 1 5.024 0.000 . . . . . . . . . . 4638 1 295 . 1 1 41 41 CYS HB2 H 1 3.058 0.000 . . . . . . . . . . 4638 1 296 . 1 1 41 41 CYS HB3 H 1 2.884 0.000 . . . . . . . . . . 4638 1 297 . 1 1 41 41 CYS HG H 1 2.106 0.000 . . . . . . . . . . 4638 1 298 . 1 1 41 41 CYS H H 1 9.190 0.000 . . . . . . . . . . 4638 1 299 . 1 1 41 41 CYS N N 15 125.796 0.000 . . . . . . . . . . 4638 1 300 . 1 1 42 42 MET HA H 1 5.861 0.000 . . . . . . . . . . 4638 1 301 . 1 1 42 42 MET HB2 H 1 1.891 0.000 . . . . . . . . . . 4638 1 302 . 1 1 42 42 MET HG2 H 1 2.464 0.000 . . . . . . . . . . 4638 1 303 . 1 1 42 42 MET HG3 H 1 2.271 0.000 . . . . . . . . . . 4638 1 304 . 1 1 42 42 MET H H 1 8.347 0.000 . . . . . . . . . . 4638 1 305 . 1 1 42 42 MET N N 15 124.013 0.000 . . . . . . . . . . 4638 1 306 . 1 1 43 43 LYS HA H 1 5.704 0.000 . . . . . . . . . . 4638 1 307 . 1 1 43 43 LYS HB2 H 1 1.732 0.000 . . . . . . . . . . 4638 1 308 . 1 1 43 43 LYS HB3 H 1 1.662 0.000 . . . . . . . . . . 4638 1 309 . 1 1 43 43 LYS HD2 H 1 1.458 0.000 . . . . . . . . . . 4638 1 310 . 1 1 43 43 LYS HE2 H 1 2.591 0.000 . . . . . . . . . . 4638 1 311 . 1 1 43 43 LYS HE3 H 1 2.448 0.000 . . . . . . . . . . 4638 1 312 . 1 1 43 43 LYS HG2 H 1 1.111 0.000 . . . . . . . . . . 4638 1 313 . 1 1 43 43 LYS HG3 H 1 0.859 0.000 . . . . . . . . . . 4638 1 314 . 1 1 43 43 LYS H H 1 9.761 0.000 . . . . . . . . . . 4638 1 315 . 1 1 43 43 LYS N N 15 123.919 0.000 . . . . . . . . . . 4638 1 316 . 1 1 44 44 LYS HA H 1 4.755 0.000 . . . . . . . . . . 4638 1 317 . 1 1 44 44 LYS HB2 H 1 0.744 0.000 . . . . . . . . . . 4638 1 318 . 1 1 44 44 LYS HB3 H 1 0.457 0.000 . . . . . . . . . . 4638 1 319 . 1 1 44 44 LYS HD2 H 1 0.592 0.000 . . . . . . . . . . 4638 1 320 . 1 1 44 44 LYS HE2 H 1 2.232 0.000 . . . . . . . . . . 4638 1 321 . 1 1 44 44 LYS HE3 H 1 2.074 0.000 . . . . . . . . . . 4638 1 322 . 1 1 44 44 LYS HG2 H 1 0.564 0.000 . . . . . . . . . . 4638 1 323 . 1 1 44 44 LYS H H 1 9.345 0.000 . . . . . . . . . . 4638 1 324 . 1 1 44 44 LYS N N 15 128.213 0.000 . . . . . . . . . . 4638 1 325 . 1 1 45 45 THR HA H 1 4.334 0.000 . . . . . . . . . . 4638 1 326 . 1 1 45 45 THR HB H 1 3.824 0.000 . . . . . . . . . . 4638 1 327 . 1 1 45 45 THR H H 1 8.596 0.000 . . . . . . . . . . 4638 1 328 . 1 1 45 45 THR HG21 H 1 0.562 0.000 . 1 . . . . . . . . 4638 1 329 . 1 1 45 45 THR HG22 H 1 0.562 0.000 . 1 . . . . . . . . 4638 1 330 . 1 1 45 45 THR HG23 H 1 0.562 0.000 . 1 . . . . . . . . 4638 1 331 . 1 1 45 45 THR N N 15 122.993 0.000 . . . . . . . . . . 4638 1 332 . 1 1 46 46 ILE HA H 1 4.105 0.000 . . . . . . . . . . 4638 1 333 . 1 1 46 46 ILE HB H 1 1.426 0.000 . . . . . . . . . . 4638 1 334 . 1 1 46 46 ILE HG12 H 1 1.182 0.000 . . . . . . . . . . 4638 1 335 . 1 1 46 46 ILE HG13 H 1 0.969 0.000 . . . . . . . . . . 4638 1 336 . 1 1 46 46 ILE H H 1 8.494 0.000 . . . . . . . . . . 4638 1 337 . 1 1 46 46 ILE HD11 H 1 0.611 0.000 . 1 . . . . . . . . 4638 1 338 . 1 1 46 46 ILE HD12 H 1 0.611 0.000 . 1 . . . . . . . . 4638 1 339 . 1 1 46 46 ILE HD13 H 1 0.611 0.000 . 1 . . . . . . . . 4638 1 340 . 1 1 46 46 ILE HG21 H 1 0.811 0.000 . 1 . . . . . . . . 4638 1 341 . 1 1 46 46 ILE HG22 H 1 0.811 0.000 . 1 . . . . . . . . 4638 1 342 . 1 1 46 46 ILE HG23 H 1 0.811 0.000 . 1 . . . . . . . . 4638 1 343 . 1 1 46 46 ILE N N 15 127.481 0.000 . . . . . . . . . . 4638 1 344 . 1 1 47 47 TYR HA H 1 4.894 0.000 . . . . . . . . . . 4638 1 345 . 1 1 47 47 TYR HB2 H 1 3.012 0.000 . . . . . . . . . . 4638 1 346 . 1 1 47 47 TYR HB3 H 1 2.701 0.000 . . . . . . . . . . 4638 1 347 . 1 1 47 47 TYR HD1 H 1 6.883 0.000 . 1 . . . . . . . . 4638 1 348 . 1 1 47 47 TYR HD2 H 1 6.883 0.000 . 1 . . . . . . . . 4638 1 349 . 1 1 47 47 TYR HE1 H 1 6.634 0.000 . 1 . . . . . . . . 4638 1 350 . 1 1 47 47 TYR HE2 H 1 6.634 0.000 . 1 . . . . . . . . 4638 1 351 . 1 1 47 47 TYR H H 1 8.749 0.000 . . . . . . . . . . 4638 1 352 . 1 1 47 47 TYR N N 15 127.213 0.000 . . . . . . . . . . 4638 1 353 . 1 1 48 48 GLU HA H 1 4.398 0.000 . . . . . . . . . . 4638 1 354 . 1 1 48 48 GLU HB2 H 1 1.996 0.000 . . . . . . . . . . 4638 1 355 . 1 1 48 48 GLU HB3 H 1 2.115 0.000 . . . . . . . . . . 4638 1 356 . 1 1 48 48 GLU HG2 H 1 2.410 0.000 . . . . . . . . . . 4638 1 357 . 1 1 48 48 GLU HG3 H 1 2.358 0.000 . . . . . . . . . . 4638 1 358 . 1 1 48 48 GLU H H 1 8.836 0.000 . . . . . . . . . . 4638 1 359 . 1 1 48 48 GLU N N 15 120.154 0.000 . . . . . . . . . . 4638 1 360 . 1 1 49 49 ASN HA H 1 4.757 0.000 . . . . . . . . . . 4638 1 361 . 1 1 49 49 ASN HB2 H 1 2.947 0.000 . . . . . . . . . . 4638 1 362 . 1 1 49 49 ASN HB3 H 1 2.824 0.000 . . . . . . . . . . 4638 1 363 . 1 1 49 49 ASN HD21 H 1 7.608 0.000 . . . . . . . . . . 4638 1 364 . 1 1 49 49 ASN HD22 H 1 6.847 0.000 . . . . . . . . . . 4638 1 365 . 1 1 49 49 ASN H H 1 8.541 0.000 . . . . . . . . . . 4638 1 366 . 1 1 49 49 ASN ND2 N 15 113.608 0.000 . . . . . . . . . . 4638 1 367 . 1 1 49 49 ASN N N 15 119.097 0.000 . . . . . . . . . . 4638 1 368 . 1 1 50 50 GLU HA H 1 4.325 0.000 . . . . . . . . . . 4638 1 369 . 1 1 50 50 GLU HB2 H 1 2.152 0.000 . . . . . . . . . . 4638 1 370 . 1 1 50 50 GLU HB3 H 1 1.935 0.000 . . . . . . . . . . 4638 1 371 . 1 1 50 50 GLU HG2 H 1 2.370 0.000 . . . . . . . . . . 4638 1 372 . 1 1 50 50 GLU H H 1 8.181 0.000 . . . . . . . . . . 4638 1 373 . 1 1 50 50 GLU N N 15 120.858 0.000 . . . . . . . . . . 4638 1 374 . 1 1 51 51 GLY HA2 H 1 4.001 0.000 . . . . . . . . . . 4638 1 375 . 1 1 51 51 GLY HA3 H 1 3.693 0.000 . . . . . . . . . . 4638 1 376 . 1 1 51 51 GLY H H 1 8.298 0.000 . . . . . . . . . . 4638 1 377 . 1 1 51 51 GLY N N 15 110.634 0.000 . . . . . . . . . . 4638 1 378 . 1 1 52 52 PHE HA H 1 4.462 0.000 . . . . . . . . . . 4638 1 379 . 1 1 52 52 PHE HB2 H 1 3.117 0.000 . . . . . . . . . . 4638 1 380 . 1 1 52 52 PHE HB3 H 1 2.925 0.000 . . . . . . . . . . 4638 1 381 . 1 1 52 52 PHE HD1 H 1 7.120 0.000 . 1 . . . . . . . . 4638 1 382 . 1 1 52 52 PHE HD2 H 1 7.120 0.000 . 1 . . . . . . . . 4638 1 383 . 1 1 52 52 PHE HE1 H 1 7.363 0.000 . 1 . . . . . . . . 4638 1 384 . 1 1 52 52 PHE HE2 H 1 7.363 0.000 . 1 . . . . . . . . 4638 1 385 . 1 1 52 52 PHE H H 1 7.917 0.000 . . . . . . . . . . 4638 1 386 . 1 1 52 52 PHE HZ H 1 7.342 0.000 . . . . . . . . . . 4638 1 387 . 1 1 52 52 PHE N N 15 119.518 0.000 . . . . . . . . . . 4638 1 388 . 1 1 53 53 ARG HA H 1 4.144 0.000 . . . . . . . . . . 4638 1 389 . 1 1 53 53 ARG HB2 H 1 1.765 0.000 . . . . . . . . . . 4638 1 390 . 1 1 53 53 ARG HD2 H 1 3.000 0.000 . . . . . . . . . . 4638 1 391 . 1 1 53 53 ARG HG2 H 1 1.377 0.000 . . . . . . . . . . 4638 1 392 . 1 1 53 53 ARG H H 1 8.262 0.000 . . . . . . . . . . 4638 1 393 . 1 1 53 53 ARG HE H 1 7.002 0.000 . . . . . . . . . . 4638 1 394 . 1 1 53 53 ARG NE N 15 115.819 0.000 . . . . . . . . . . 4638 1 395 . 1 1 53 53 ARG N N 15 120.844 0.000 . . . . . . . . . . 4638 1 396 . 1 1 54 54 GLU HA H 1 4.594 0.000 . . . . . . . . . . 4638 1 397 . 1 1 54 54 GLU HB2 H 1 2.034 0.000 . . . . . . . . . . 4638 1 398 . 1 1 54 54 GLU HG2 H 1 2.405 0.000 . . . . . . . . . . 4638 1 399 . 1 1 54 54 GLU H H 1 8.302 0.000 . . . . . . . . . . 4638 1 400 . 1 1 54 54 GLU N N 15 121.746 0.000 . . . . . . . . . . 4638 1 401 . 1 1 55 55 ILE HA H 1 3.543 0.000 . . . . . . . . . . 4638 1 402 . 1 1 55 55 ILE HB H 1 0.750 0.000 . . . . . . . . . . 4638 1 403 . 1 1 55 55 ILE HG12 H 1 0.433 0.000 . . . . . . . . . . 4638 1 404 . 1 1 55 55 ILE HG13 H 1 1.454 0.000 . . . . . . . . . . 4638 1 405 . 1 1 55 55 ILE H H 1 8.459 0.000 . . . . . . . . . . 4638 1 406 . 1 1 55 55 ILE HD11 H 1 0.726 0.000 . 1 . . . . . . . . 4638 1 407 . 1 1 55 55 ILE HD12 H 1 0.726 0.000 . 1 . . . . . . . . 4638 1 408 . 1 1 55 55 ILE HD13 H 1 0.726 0.000 . 1 . . . . . . . . 4638 1 409 . 1 1 55 55 ILE HG21 H 1 0.176 0.000 . 1 . . . . . . . . 4638 1 410 . 1 1 55 55 ILE HG22 H 1 0.176 0.000 . 1 . . . . . . . . 4638 1 411 . 1 1 55 55 ILE HG23 H 1 0.176 0.000 . 1 . . . . . . . . 4638 1 412 . 1 1 55 55 ILE N N 15 127.407 0.000 . . . . . . . . . . 4638 1 413 . 1 1 56 56 LYS HA H 1 4.405 0.000 . . . . . . . . . . 4638 1 414 . 1 1 56 56 LYS HB2 H 1 1.417 0.000 . . . . . . . . . . 4638 1 415 . 1 1 56 56 LYS HD2 H 1 1.587 0.000 . . . . . . . . . . 4638 1 416 . 1 1 56 56 LYS HE2 H 1 2.987 0.000 . . . . . . . . . . 4638 1 417 . 1 1 56 56 LYS HG2 H 1 1.420 0.000 . . . . . . . . . . 4638 1 418 . 1 1 56 56 LYS H H 1 9.080 0.000 . . . . . . . . . . 4638 1 419 . 1 1 56 56 LYS N N 15 127.857 0.000 . . . . . . . . . . 4638 1 420 . 1 1 57 57 GLY HA2 H 1 4.577 0.000 . . . . . . . . . . 4638 1 421 . 1 1 57 57 GLY HA3 H 1 3.611 0.000 . . . . . . . . . . 4638 1 422 . 1 1 57 57 GLY H H 1 7.694 0.000 . . . . . . . . . . 4638 1 423 . 1 1 57 57 GLY N N 15 108.041 0.000 . . . . . . . . . . 4638 1 424 . 1 1 58 58 TYR HA H 1 5.496 0.000 . . . . . . . . . . 4638 1 425 . 1 1 58 58 TYR HB2 H 1 2.625 0.000 . . . . . . . . . . 4638 1 426 . 1 1 58 58 TYR HB3 H 1 2.488 0.000 . . . . . . . . . . 4638 1 427 . 1 1 58 58 TYR HD1 H 1 7.056 0.000 . 1 . . . . . . . . 4638 1 428 . 1 1 58 58 TYR HD2 H 1 7.056 0.000 . 1 . . . . . . . . 4638 1 429 . 1 1 58 58 TYR HE1 H 1 6.813 0.000 . 1 . . . . . . . . 4638 1 430 . 1 1 58 58 TYR HE2 H 1 6.813 0.000 . 1 . . . . . . . . 4638 1 431 . 1 1 58 58 TYR H H 1 8.917 0.000 . . . . . . . . . . 4638 1 432 . 1 1 58 58 TYR N N 15 116.461 0.000 . . . . . . . . . . 4638 1 433 . 1 1 59 59 GLU HA H 1 5.451 0.000 . . . . . . . . . . 4638 1 434 . 1 1 59 59 GLU HB2 H 1 1.884 0.000 . . . . . . . . . . 4638 1 435 . 1 1 59 59 GLU HB3 H 1 1.825 0.000 . . . . . . . . . . 4638 1 436 . 1 1 59 59 GLU HG2 H 1 2.456 0.000 . . . . . . . . . . 4638 1 437 . 1 1 59 59 GLU H H 1 9.074 0.000 . . . . . . . . . . 4638 1 438 . 1 1 59 59 GLU N N 15 122.916 0.000 . . . . . . . . . . 4638 1 439 . 1 1 60 60 TYR HA H 1 5.964 0.000 . . . . . . . . . . 4638 1 440 . 1 1 60 60 TYR HB2 H 1 2.921 0.000 . . . . . . . . . . 4638 1 441 . 1 1 60 60 TYR HB3 H 1 2.774 0.000 . . . . . . . . . . 4638 1 442 . 1 1 60 60 TYR HD1 H 1 6.965 0.000 . 1 . . . . . . . . 4638 1 443 . 1 1 60 60 TYR HD2 H 1 6.965 0.000 . 1 . . . . . . . . 4638 1 444 . 1 1 60 60 TYR HE1 H 1 6.767 0.000 . 1 . . . . . . . . 4638 1 445 . 1 1 60 60 TYR HE2 H 1 6.767 0.000 . 1 . . . . . . . . 4638 1 446 . 1 1 60 60 TYR H H 1 9.717 0.000 . . . . . . . . . . 4638 1 447 . 1 1 60 60 TYR N N 15 122.754 0.000 . . . . . . . . . . 4638 1 448 . 1 1 61 61 GLN HA H 1 5.515 0.000 . . . . . . . . . . 4638 1 449 . 1 1 61 61 GLN HB2 H 1 1.587 0.000 . . . . . . . . . . 4638 1 450 . 1 1 61 61 GLN HB3 H 1 1.467 0.000 . . . . . . . . . . 4638 1 451 . 1 1 61 61 GLN HG2 H 1 1.882 0.000 . . . . . . . . . . 4638 1 452 . 1 1 61 61 GLN HG3 H 1 1.826 0.000 . . . . . . . . . . 4638 1 453 . 1 1 61 61 GLN H H 1 9.179 0.000 . . . . . . . . . . 4638 1 454 . 1 1 61 61 GLN N N 15 122.540 0.000 . . . . . . . . . . 4638 1 455 . 1 1 62 62 LEU HA H 1 5.318 0.000 . . . . . . . . . . 4638 1 456 . 1 1 62 62 LEU HB2 H 1 1.731 0.000 . . . . . . . . . . 4638 1 457 . 1 1 62 62 LEU HB3 H 1 1.626 0.000 . . . . . . . . . . 4638 1 458 . 1 1 62 62 LEU HG H 1 1.777 0.000 . . . . . . . . . . 4638 1 459 . 1 1 62 62 LEU H H 1 9.308 0.000 . . . . . . . . . . 4638 1 460 . 1 1 62 62 LEU HD11 H 1 0.975 0.000 . 1 . . . . . . . . 4638 1 461 . 1 1 62 62 LEU HD12 H 1 0.975 0.000 . 1 . . . . . . . . 4638 1 462 . 1 1 62 62 LEU HD13 H 1 0.975 0.000 . 1 . . . . . . . . 4638 1 463 . 1 1 62 62 LEU HD21 H 1 0.857 0.000 . 1 . . . . . . . . 4638 1 464 . 1 1 62 62 LEU HD22 H 1 0.857 0.000 . 1 . . . . . . . . 4638 1 465 . 1 1 62 62 LEU HD23 H 1 0.857 0.000 . 1 . . . . . . . . 4638 1 466 . 1 1 62 62 LEU N N 15 126.745 0.000 . . . . . . . . . . 4638 1 467 . 1 1 63 63 TYR HA H 1 5.039 0.000 . . . . . . . . . . 4638 1 468 . 1 1 63 63 TYR HB2 H 1 2.864 0.000 . . . . . . . . . . 4638 1 469 . 1 1 63 63 TYR HB3 H 1 2.633 0.000 . . . . . . . . . . 4638 1 470 . 1 1 63 63 TYR HD1 H 1 7.028 0.000 . 1 . . . . . . . . 4638 1 471 . 1 1 63 63 TYR HD2 H 1 7.028 0.000 . 1 . . . . . . . . 4638 1 472 . 1 1 63 63 TYR HE1 H 1 6.698 0.000 . 1 . . . . . . . . 4638 1 473 . 1 1 63 63 TYR HE2 H 1 6.698 0.000 . 1 . . . . . . . . 4638 1 474 . 1 1 63 63 TYR H H 1 9.711 0.000 . . . . . . . . . . 4638 1 475 . 1 1 63 63 TYR N N 15 124.384 0.000 . . . . . . . . . . 4638 1 476 . 1 1 64 64 VAL HA H 1 4.804 0.000 . . . . . . . . . . 4638 1 477 . 1 1 64 64 VAL HB H 1 1.926 0.000 . . . . . . . . . . 4638 1 478 . 1 1 64 64 VAL H H 1 9.145 0.000 . . . . . . . . . . 4638 1 479 . 1 1 64 64 VAL HG11 H 1 1.036 0.000 . 1 . . . . . . . . 4638 1 480 . 1 1 64 64 VAL HG12 H 1 1.036 0.000 . 1 . . . . . . . . 4638 1 481 . 1 1 64 64 VAL HG13 H 1 1.036 0.000 . 1 . . . . . . . . 4638 1 482 . 1 1 64 64 VAL N N 15 122.337 0.000 . . . . . . . . . . 4638 1 483 . 1 1 65 65 TYR HA H 1 5.589 0.000 . . . . . . . . . . 4638 1 484 . 1 1 65 65 TYR HB2 H 1 3.194 0.000 . . . . . . . . . . 4638 1 485 . 1 1 65 65 TYR HB3 H 1 2.788 0.000 . . . . . . . . . . 4638 1 486 . 1 1 65 65 TYR HD1 H 1 6.751 0.000 . 1 . . . . . . . . 4638 1 487 . 1 1 65 65 TYR HD2 H 1 6.751 0.000 . 1 . . . . . . . . 4638 1 488 . 1 1 65 65 TYR H H 1 9.456 0.000 . . . . . . . . . . 4638 1 489 . 1 1 65 65 TYR N N 15 128.008 0.000 . . . . . . . . . . 4638 1 490 . 1 1 66 66 ALA HA H 1 5.144 0.000 . . . . . . . . . . 4638 1 491 . 1 1 66 66 ALA H H 1 9.921 0.000 . . . . . . . . . . 4638 1 492 . 1 1 66 66 ALA HB1 H 1 1.407 0.000 . 1 . . . . . . . . 4638 1 493 . 1 1 66 66 ALA HB2 H 1 1.407 0.000 . 1 . . . . . . . . 4638 1 494 . 1 1 66 66 ALA HB3 H 1 1.407 0.000 . 1 . . . . . . . . 4638 1 495 . 1 1 66 66 ALA N N 15 128.702 0.000 . . . . . . . . . . 4638 1 496 . 1 1 67 67 SER HA H 1 4.201 0.000 . . . . . . . . . . 4638 1 497 . 1 1 67 67 SER HB2 H 1 4.356 0.000 . . . . . . . . . . 4638 1 498 . 1 1 67 67 SER HB3 H 1 4.110 0.000 . . . . . . . . . . 4638 1 499 . 1 1 67 67 SER H H 1 9.483 0.000 . . . . . . . . . . 4638 1 500 . 1 1 67 67 SER N N 15 118.521 0.000 . . . . . . . . . . 4638 1 501 . 1 1 68 68 ASP HA H 1 4.125 0.000 . . . . . . . . . . 4638 1 502 . 1 1 68 68 ASP HB2 H 1 3.210 0.000 . . . . . . . . . . 4638 1 503 . 1 1 68 68 ASP HB3 H 1 3.110 0.000 . . . . . . . . . . 4638 1 504 . 1 1 68 68 ASP H H 1 9.326 0.000 . . . . . . . . . . 4638 1 505 . 1 1 68 68 ASP N N 15 110.462 0.000 . . . . . . . . . . 4638 1 506 . 1 1 69 69 LYS HA H 1 4.617 0.000 . . . . . . . . . . 4638 1 507 . 1 1 69 69 LYS HB2 H 1 1.966 0.000 . . . . . . . . . . 4638 1 508 . 1 1 69 69 LYS HD2 H 1 1.218 0.000 . . . . . . . . . . 4638 1 509 . 1 1 69 69 LYS HE2 H 1 3.180 0.000 . . . . . . . . . . 4638 1 510 . 1 1 69 69 LYS HG2 H 1 1.479 0.000 . . . . . . . . . . 4638 1 511 . 1 1 69 69 LYS H H 1 8.301 0.000 . . . . . . . . . . 4638 1 512 . 1 1 69 69 LYS N N 15 121.969 0.000 . . . . . . . . . . 4638 1 513 . 1 1 70 70 LEU HA H 1 4.359 0.000 . . . . . . . . . . 4638 1 514 . 1 1 70 70 LEU HB2 H 1 1.993 0.000 . . . . . . . . . . 4638 1 515 . 1 1 70 70 LEU HG H 1 1.155 0.000 . . . . . . . . . . 4638 1 516 . 1 1 70 70 LEU H H 1 8.163 0.000 . . . . . . . . . . 4638 1 517 . 1 1 70 70 LEU HD11 H 1 0.679 0.000 . 1 . . . . . . . . 4638 1 518 . 1 1 70 70 LEU HD12 H 1 0.679 0.000 . 1 . . . . . . . . 4638 1 519 . 1 1 70 70 LEU HD13 H 1 0.679 0.000 . 1 . . . . . . . . 4638 1 520 . 1 1 70 70 LEU HD21 H 1 0.131 0.000 . 1 . . . . . . . . 4638 1 521 . 1 1 70 70 LEU HD22 H 1 0.131 0.000 . 1 . . . . . . . . 4638 1 522 . 1 1 70 70 LEU HD23 H 1 0.131 0.000 . 1 . . . . . . . . 4638 1 523 . 1 1 70 70 LEU N N 15 124.009 0.000 . . . . . . . . . . 4638 1 524 . 1 1 71 71 PHE HA H 1 4.841 0.000 . . . . . . . . . . 4638 1 525 . 1 1 71 71 PHE HB2 H 1 2.058 0.000 . . . . . . . . . . 4638 1 526 . 1 1 71 71 PHE HB3 H 1 1.748 0.000 . . . . . . . . . . 4638 1 527 . 1 1 71 71 PHE HD1 H 1 6.729 0.000 . 1 . . . . . . . . 4638 1 528 . 1 1 71 71 PHE HD2 H 1 6.729 0.000 . 1 . . . . . . . . 4638 1 529 . 1 1 71 71 PHE HE1 H 1 6.920 0.000 . 1 . . . . . . . . 4638 1 530 . 1 1 71 71 PHE HE2 H 1 6.920 0.000 . 1 . . . . . . . . 4638 1 531 . 1 1 71 71 PHE H H 1 9.012 0.000 . . . . . . . . . . 4638 1 532 . 1 1 71 71 PHE N N 15 124.538 0.000 . . . . . . . . . . 4638 1 533 . 1 1 72 72 ARG HA H 1 4.946 0.000 . . . . . . . . . . 4638 1 534 . 1 1 72 72 ARG HB2 H 1 1.690 0.000 . . . . . . . . . . 4638 1 535 . 1 1 72 72 ARG HB3 H 1 1.272 0.000 . . . . . . . . . . 4638 1 536 . 1 1 72 72 ARG HD2 H 1 2.712 0.000 . . . . . . . . . . 4638 1 537 . 1 1 72 72 ARG HG2 H 1 1.056 0.000 . . . . . . . . . . 4638 1 538 . 1 1 72 72 ARG HG3 H 1 1.005 0.000 . . . . . . . . . . 4638 1 539 . 1 1 72 72 ARG H H 1 8.725 0.000 . . . . . . . . . . 4638 1 540 . 1 1 72 72 ARG HE H 1 6.566 0.000 . . . . . . . . . . 4638 1 541 . 1 1 72 72 ARG NE N 15 114.429 0.000 . . . . . . . . . . 4638 1 542 . 1 1 72 72 ARG N N 15 121.007 0.000 . . . . . . . . . . 4638 1 543 . 1 1 73 73 ALA HA H 1 5.384 0.000 . . . . . . . . . . 4638 1 544 . 1 1 73 73 ALA H H 1 9.076 0.000 . . . . . . . . . . 4638 1 545 . 1 1 73 73 ALA HB1 H 1 1.266 0.000 . 1 . . . . . . . . 4638 1 546 . 1 1 73 73 ALA HB2 H 1 1.266 0.000 . 1 . . . . . . . . 4638 1 547 . 1 1 73 73 ALA HB3 H 1 1.266 0.000 . 1 . . . . . . . . 4638 1 548 . 1 1 73 73 ALA N N 15 128.226 0.000 . . . . . . . . . . 4638 1 549 . 1 1 74 74 ASP HA H 1 6.289 0.000 . . . . . . . . . . 4638 1 550 . 1 1 74 74 ASP HB2 H 1 3.002 0.000 . . . . . . . . . . 4638 1 551 . 1 1 74 74 ASP HB3 H 1 2.687 0.000 . . . . . . . . . . 4638 1 552 . 1 1 74 74 ASP H H 1 8.817 0.000 . . . . . . . . . . 4638 1 553 . 1 1 74 74 ASP N N 15 121.147 0.000 . . . . . . . . . . 4638 1 554 . 1 1 75 75 ILE HA H 1 5.318 0.000 . . . . . . . . . . 4638 1 555 . 1 1 75 75 ILE HB H 1 1.896 0.000 . . . . . . . . . . 4638 1 556 . 1 1 75 75 ILE HG12 H 1 1.760 0.000 . . . . . . . . . . 4638 1 557 . 1 1 75 75 ILE HG13 H 1 1.346 0.000 . . . . . . . . . . 4638 1 558 . 1 1 75 75 ILE H H 1 9.595 0.000 . . . . . . . . . . 4638 1 559 . 1 1 75 75 ILE HD11 H 1 1.082 0.000 . 1 . . . . . . . . 4638 1 560 . 1 1 75 75 ILE HD12 H 1 1.082 0.000 . 1 . . . . . . . . 4638 1 561 . 1 1 75 75 ILE HD13 H 1 1.082 0.000 . 1 . . . . . . . . 4638 1 562 . 1 1 75 75 ILE HG21 H 1 1.086 0.000 . 1 . . . . . . . . 4638 1 563 . 1 1 75 75 ILE HG22 H 1 1.086 0.000 . 1 . . . . . . . . 4638 1 564 . 1 1 75 75 ILE HG23 H 1 1.086 0.000 . 1 . . . . . . . . 4638 1 565 . 1 1 75 75 ILE N N 15 126.349 0.000 . . . . . . . . . . 4638 1 566 . 1 1 76 76 SER HA H 1 5.646 0.000 . . . . . . . . . . 4638 1 567 . 1 1 76 76 SER HB2 H 1 4.116 0.000 . . . . . . . . . . 4638 1 568 . 1 1 76 76 SER HB3 H 1 3.865 0.000 . . . . . . . . . . 4638 1 569 . 1 1 76 76 SER H H 1 9.586 0.000 . . . . . . . . . . 4638 1 570 . 1 1 76 76 SER N N 15 121.854 0.000 . . . . . . . . . . 4638 1 571 . 1 1 77 77 GLU HA H 1 5.317 0.000 . . . . . . . . . . 4638 1 572 . 1 1 77 77 GLU HB2 H 1 2.317 0.000 . . . . . . . . . . 4638 1 573 . 1 1 77 77 GLU HB3 H 1 2.058 0.000 . . . . . . . . . . 4638 1 574 . 1 1 77 77 GLU HG2 H 1 2.246 0.000 . . . . . . . . . . 4638 1 575 . 1 1 77 77 GLU H H 1 9.159 0.000 . . . . . . . . . . 4638 1 576 . 1 1 77 77 GLU N N 15 123.998 0.000 . . . . . . . . . . 4638 1 577 . 1 1 78 78 ASP HA H 1 4.824 0.000 . . . . . . . . . . 4638 1 578 . 1 1 78 78 ASP HB2 H 1 2.870 0.000 . . . . . . . . . . 4638 1 579 . 1 1 78 78 ASP HB3 H 1 2.805 0.000 . . . . . . . . . . 4638 1 580 . 1 1 78 78 ASP H H 1 8.699 0.000 . . . . . . . . . . 4638 1 581 . 1 1 78 78 ASP N N 15 128.290 0.000 . . . . . . . . . . 4638 1 582 . 1 1 79 79 TYR HA H 1 4.244 0.000 . . . . . . . . . . 4638 1 583 . 1 1 79 79 TYR HB2 H 1 2.763 0.000 . . . . . . . . . . 4638 1 584 . 1 1 79 79 TYR HB3 H 1 2.519 0.000 . . . . . . . . . . 4638 1 585 . 1 1 79 79 TYR HD1 H 1 7.010 0.000 . 1 . . . . . . . . 4638 1 586 . 1 1 79 79 TYR HD2 H 1 7.010 0.000 . 1 . . . . . . . . 4638 1 587 . 1 1 79 79 TYR HE1 H 1 6.932 0.000 . 1 . . . . . . . . 4638 1 588 . 1 1 79 79 TYR HE2 H 1 6.932 0.000 . 1 . . . . . . . . 4638 1 589 . 1 1 79 79 TYR H H 1 8.560 0.000 . . . . . . . . . . 4638 1 590 . 1 1 79 79 TYR N N 15 127.821 0.000 . . . . . . . . . . 4638 1 591 . 1 1 80 80 LYS HA H 1 4.012 0.000 . . . . . . . . . . 4638 1 592 . 1 1 80 80 LYS HB2 H 1 2.032 0.000 . . . . . . . . . . 4638 1 593 . 1 1 80 80 LYS HB3 H 1 1.982 0.000 . . . . . . . . . . 4638 1 594 . 1 1 80 80 LYS HD2 H 1 1.790 0.000 . . . . . . . . . . 4638 1 595 . 1 1 80 80 LYS HD3 H 1 1.649 0.000 . . . . . . . . . . 4638 1 596 . 1 1 80 80 LYS HE2 H 1 3.112 0.000 . . . . . . . . . . 4638 1 597 . 1 1 80 80 LYS HG2 H 1 1.477 0.000 . . . . . . . . . . 4638 1 598 . 1 1 80 80 LYS H H 1 8.420 0.000 . . . . . . . . . . 4638 1 599 . 1 1 80 80 LYS N N 15 117.798 0.000 . . . . . . . . . . 4638 1 600 . 1 1 81 81 THR HA H 1 4.389 0.000 . . . . . . . . . . 4638 1 601 . 1 1 81 81 THR HB H 1 4.407 0.000 . . . . . . . . . . 4638 1 602 . 1 1 81 81 THR H H 1 8.229 0.000 . . . . . . . . . . 4638 1 603 . 1 1 81 81 THR HG1 H 1 5.038 0.000 . . . . . . . . . . 4638 1 604 . 1 1 81 81 THR HG21 H 1 1.293 0.000 . 1 . . . . . . . . 4638 1 605 . 1 1 81 81 THR HG22 H 1 1.293 0.000 . 1 . . . . . . . . 4638 1 606 . 1 1 81 81 THR HG23 H 1 1.293 0.000 . 1 . . . . . . . . 4638 1 607 . 1 1 81 81 THR N N 15 107.358 0.000 . . . . . . . . . . 4638 1 608 . 1 1 82 82 ARG HA H 1 4.234 0.000 . . . . . . . . . . 4638 1 609 . 1 1 82 82 ARG HB2 H 1 2.187 0.000 . . . . . . . . . . 4638 1 610 . 1 1 82 82 ARG HB3 H 1 2.100 0.000 . . . . . . . . . . 4638 1 611 . 1 1 82 82 ARG HD2 H 1 3.235 0.000 . . . . . . . . . . 4638 1 612 . 1 1 82 82 ARG HD3 H 1 3.171 0.000 . . . . . . . . . . 4638 1 613 . 1 1 82 82 ARG HG2 H 1 1.599 0.000 . . . . . . . . . . 4638 1 614 . 1 1 82 82 ARG H H 1 7.788 0.000 . . . . . . . . . . 4638 1 615 . 1 1 82 82 ARG HE H 1 7.080 0.000 . . . . . . . . . . 4638 1 616 . 1 1 82 82 ARG NE N 15 115.881 0.000 . . . . . . . . . . 4638 1 617 . 1 1 82 82 ARG N N 15 116.361 0.000 . . . . . . . . . . 4638 1 618 . 1 1 83 83 GLY HA2 H 1 4.032 0.000 . . . . . . . . . . 4638 1 619 . 1 1 83 83 GLY HA3 H 1 3.707 0.000 . . . . . . . . . . 4638 1 620 . 1 1 83 83 GLY H H 1 8.361 0.000 . . . . . . . . . . 4638 1 621 . 1 1 83 83 GLY N N 15 107.823 0.000 . . . . . . . . . . 4638 1 622 . 1 1 84 84 ARG HA H 1 5.504 0.000 . . . . . . . . . . 4638 1 623 . 1 1 84 84 ARG HB2 H 1 1.007 0.000 . . . . . . . . . . 4638 1 624 . 1 1 84 84 ARG HD2 H 1 2.460 0.000 . . . . . . . . . . 4638 1 625 . 1 1 84 84 ARG HG2 H 1 1.550 0.000 . . . . . . . . . . 4638 1 626 . 1 1 84 84 ARG HG3 H 1 1.221 0.000 . . . . . . . . . . 4638 1 627 . 1 1 84 84 ARG H H 1 8.364 0.000 . . . . . . . . . . 4638 1 628 . 1 1 84 84 ARG HE H 1 7.082 0.000 . . . . . . . . . . 4638 1 629 . 1 1 84 84 ARG NE N 15 115.763 0.000 . . . . . . . . . . 4638 1 630 . 1 1 84 84 ARG N N 15 123.716 0.000 . . . . . . . . . . 4638 1 631 . 1 1 85 85 LYS HA H 1 4.853 0.000 . . . . . . . . . . 4638 1 632 . 1 1 85 85 LYS HB2 H 1 1.864 0.000 . . . . . . . . . . 4638 1 633 . 1 1 85 85 LYS HD2 H 1 1.736 0.000 . . . . . . . . . . 4638 1 634 . 1 1 85 85 LYS HE2 H 1 3.041 0.000 . . . . . . . . . . 4638 1 635 . 1 1 85 85 LYS HG2 H 1 1.475 0.000 . . . . . . . . . . 4638 1 636 . 1 1 85 85 LYS HG3 H 1 1.363 0.000 . . . . . . . . . . 4638 1 637 . 1 1 85 85 LYS H H 1 8.740 0.000 . . . . . . . . . . 4638 1 638 . 1 1 85 85 LYS N N 15 120.750 0.000 . . . . . . . . . . 4638 1 639 . 1 1 86 86 LEU HA H 1 4.756 0.000 . . . . . . . . . . 4638 1 640 . 1 1 86 86 LEU HB2 H 1 2.181 0.000 . . . . . . . . . . 4638 1 641 . 1 1 86 86 LEU HB3 H 1 1.128 0.000 . . . . . . . . . . 4638 1 642 . 1 1 86 86 LEU HG H 1 1.506 0.000 . . . . . . . . . . 4638 1 643 . 1 1 86 86 LEU H H 1 9.498 0.000 . . . . . . . . . . 4638 1 644 . 1 1 86 86 LEU HD11 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 645 . 1 1 86 86 LEU HD12 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 646 . 1 1 86 86 LEU HD13 H 1 1.267 0.000 . 1 . . . . . . . . 4638 1 647 . 1 1 86 86 LEU HD21 H 1 1.015 0.000 . 1 . . . . . . . . 4638 1 648 . 1 1 86 86 LEU HD22 H 1 1.015 0.000 . 1 . . . . . . . . 4638 1 649 . 1 1 86 86 LEU HD23 H 1 1.015 0.000 . 1 . . . . . . . . 4638 1 650 . 1 1 86 86 LEU N N 15 127.484 0.000 . . . . . . . . . . 4638 1 651 . 1 1 87 87 LEU HA H 1 4.538 0.000 . . . . . . . . . . 4638 1 652 . 1 1 87 87 LEU HB2 H 1 1.741 0.000 . . . . . . . . . . 4638 1 653 . 1 1 87 87 LEU HB3 H 1 1.630 0.000 . . . . . . . . . . 4638 1 654 . 1 1 87 87 LEU HG H 1 1.762 0.000 . . . . . . . . . . 4638 1 655 . 1 1 87 87 LEU H H 1 9.207 0.000 . . . . . . . . . . 4638 1 656 . 1 1 87 87 LEU HD11 H 1 0.933 0.000 . 1 . . . . . . . . 4638 1 657 . 1 1 87 87 LEU HD12 H 1 0.933 0.000 . 1 . . . . . . . . 4638 1 658 . 1 1 87 87 LEU HD13 H 1 0.933 0.000 . 1 . . . . . . . . 4638 1 659 . 1 1 87 87 LEU N N 15 129.888 0.000 . . . . . . . . . . 4638 1 660 . 1 1 88 88 ARG HA H 1 4.683 0.000 . . . . . . . . . . 4638 1 661 . 1 1 88 88 ARG HB2 H 1 1.964 0.000 . . . . . . . . . . 4638 1 662 . 1 1 88 88 ARG HD2 H 1 3.272 0.000 . . . . . . . . . . 4638 1 663 . 1 1 88 88 ARG HG2 H 1 1.707 0.000 . . . . . . . . . . 4638 1 664 . 1 1 88 88 ARG H H 1 7.780 0.000 . . . . . . . . . . 4638 1 665 . 1 1 88 88 ARG HE H 1 7.271 0.000 . . . . . . . . . . 4638 1 666 . 1 1 88 88 ARG NE N 15 115.238 0.000 . . . . . . . . . . 4638 1 667 . 1 1 88 88 ARG N N 15 115.449 0.000 . . . . . . . . . . 4638 1 668 . 1 1 89 89 PHE HA H 1 5.115 0.000 . . . . . . . . . . 4638 1 669 . 1 1 89 89 PHE HB2 H 1 3.396 0.000 . . . . . . . . . . 4638 1 670 . 1 1 89 89 PHE HB3 H 1 2.753 0.000 . . . . . . . . . . 4638 1 671 . 1 1 89 89 PHE HD1 H 1 6.827 0.000 . 1 . . . . . . . . 4638 1 672 . 1 1 89 89 PHE HD2 H 1 6.827 0.000 . 1 . . . . . . . . 4638 1 673 . 1 1 89 89 PHE HE1 H 1 5.967 0.000 . 1 . . . . . . . . 4638 1 674 . 1 1 89 89 PHE HE2 H 1 5.967 0.000 . 1 . . . . . . . . 4638 1 675 . 1 1 89 89 PHE H H 1 8.768 0.000 . . . . . . . . . . 4638 1 676 . 1 1 89 89 PHE HZ H 1 6.134 0.000 . . . . . . . . . . 4638 1 677 . 1 1 89 89 PHE N N 15 128.128 0.000 . . . . . . . . . . 4638 1 678 . 1 1 90 90 ASN HA H 1 5.613 0.000 . . . . . . . . . . 4638 1 679 . 1 1 90 90 ASN HB2 H 1 2.834 0.000 . . . . . . . . . . 4638 1 680 . 1 1 90 90 ASN HB3 H 1 2.679 0.000 . . . . . . . . . . 4638 1 681 . 1 1 90 90 ASN HD21 H 1 7.624 0.000 . . . . . . . . . . 4638 1 682 . 1 1 90 90 ASN HD22 H 1 6.920 0.000 . . . . . . . . . . 4638 1 683 . 1 1 90 90 ASN H H 1 8.829 0.000 . . . . . . . . . . 4638 1 684 . 1 1 90 90 ASN ND2 N 15 112.803 0.000 . . . . . . . . . . 4638 1 685 . 1 1 90 90 ASN N N 15 124.667 0.000 . . . . . . . . . . 4638 1 686 . 1 1 91 91 GLY HA2 H 1 4.408 0.000 . . . . . . . . . . 4638 1 687 . 1 1 91 91 GLY HA3 H 1 3.607 0.000 . . . . . . . . . . 4638 1 688 . 1 1 91 91 GLY H H 1 8.209 0.000 . . . . . . . . . . 4638 1 689 . 1 1 91 91 GLY N N 15 108.353 0.000 . . . . . . . . . . 4638 1 690 . 1 1 92 92 PRO HA H 1 4.525 0.000 . . . . . . . . . . 4638 1 691 . 1 1 92 92 PRO HB2 H 1 2.119 0.000 . . . . . . . . . . 4638 1 692 . 1 1 92 92 PRO HB3 H 1 1.935 0.000 . . . . . . . . . . 4638 1 693 . 1 1 92 92 PRO HD2 H 1 3.156 0.000 . . . . . . . . . . 4638 1 694 . 1 1 92 92 PRO HD3 H 1 2.950 0.000 . . . . . . . . . . 4638 1 695 . 1 1 93 93 VAL HA H 1 4.895 0.000 . . . . . . . . . . 4638 1 696 . 1 1 93 93 VAL HB H 1 2.300 0.000 . . . . . . . . . . 4638 1 697 . 1 1 93 93 VAL H H 1 8.622 0.000 . . . . . . . . . . 4638 1 698 . 1 1 93 93 VAL HG11 H 1 0.968 0.000 . 1 . . . . . . . . 4638 1 699 . 1 1 93 93 VAL HG12 H 1 0.968 0.000 . 1 . . . . . . . . 4638 1 700 . 1 1 93 93 VAL HG13 H 1 0.968 0.000 . 1 . . . . . . . . 4638 1 701 . 1 1 93 93 VAL HG21 H 1 0.705 0.000 . 1 . . . . . . . . 4638 1 702 . 1 1 93 93 VAL HG22 H 1 0.705 0.000 . 1 . . . . . . . . 4638 1 703 . 1 1 93 93 VAL HG23 H 1 0.705 0.000 . 1 . . . . . . . . 4638 1 704 . 1 1 93 93 VAL N N 15 119.299 0.000 . . . . . . . . . . 4638 1 705 . 1 1 94 94 PRO HD2 H 1 3.805 0.000 . . . . . . . . . . 4638 1 706 . 1 1 94 94 PRO HD3 H 1 3.606 0.000 . . . . . . . . . . 4638 1 stop_ save_ ######################## # Coupling constants # ######################## save_JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHNHA _Coupling_constant_list.Entry_ID 4638 _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 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4638 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 GLU H . . . . 1 1 4 4 GLU HA . . . 10.74 . . . . . . . . . . . . . . 4638 1 2 3JHNHA . 1 1 6 6 ILE H . . . . 1 1 6 6 ILE HA . . . 9.94 . . . . . . . . . . . . . . 4638 1 3 3JHNHA . 1 1 11 11 PHE H . . . . 1 1 11 11 PHE HA . . . 3.91 . . . . . . . . . . . . . . 4638 1 4 3JHNHA . 1 1 13 13 GLN H . . . . 1 1 13 13 GLN HA . . . 4.68 . . . . . . . . . . . . . . 4638 1 5 3JHNHA . 1 1 14 14 ASN H . . . . 1 1 14 14 ASN HA . . . 4.38 . . . . . . . . . . . . . . 4638 1 6 3JHNHA . 1 1 15 15 LEU H . . . . 1 1 15 15 LEU HA . . . 4.87 . . . . . . . . . . . . . . 4638 1 7 3JHNHA . 1 1 17 17 LYS H . . . . 1 1 17 17 LYS HA . . . 3.48 . . . . . . . . . . . . . . 4638 1 8 3JHNHA . 1 1 18 18 PHE H . . . . 1 1 18 18 PHE HA . . . 3.82 . . . . . . . . . . . . . . 4638 1 9 3JHNHA . 1 1 19 19 ALA H . . . . 1 1 19 19 ALA HA . . . 3.38 . . . . . . . . . . . . . . 4638 1 10 3JHNHA . 1 1 21 21 ASP H . . . . 1 1 21 21 ASP HA . . . 3.67 . . . . . . . . . . . . . . 4638 1 11 3JHNHA . 1 1 23 23 GLU H . . . . 1 1 23 23 GLU HA . . . 4.81 . . . . . . . . . . . . . . 4638 1 12 3JHNHA . 1 1 24 24 ASN H . . . . 1 1 24 24 ASN HA . . . 3.82 . . . . . . . . . . . . . . 4638 1 13 3JHNHA . 1 1 28 28 GLN H . . . . 1 1 28 28 GLN HA . . . 4.42 . . . . . . . . . . . . . . 4638 1 14 3JHNHA . 1 1 29 29 TYR H . . . . 1 1 29 29 TYR HA . . . 9.47 . . . . . . . . . . . . . . 4638 1 15 3JHNHA . 1 1 32 32 LEU H . . . . 1 1 32 32 LEU HA . . . 8.96 . . . . . . . . . . . . . . 4638 1 16 3JHNHA . 1 1 33 33 THR H . . . . 1 1 33 33 THR HA . . . 8.96 . . . . . . . . . . . . . . 4638 1 17 3JHNHA . 1 1 34 34 PHE H . . . . 1 1 34 34 PHE HA . . . 3.15 . . . . . . . . . . . . . . 4638 1 18 3JHNHA . 1 1 35 35 ASN H . . . . 1 1 35 35 ASN HA . . . 11.13 . . . . . . . . . . . . . . 4638 1 19 3JHNHA . 1 1 36 36 LYS H . . . . 1 1 36 36 LYS HA . . . 4.11 . . . . . . . . . . . . . . 4638 1 20 3JHNHA . 1 1 38 38 ILE H . . . . 1 1 38 38 ILE HA . . . 10.15 . . . . . . . . . . . . . . 4638 1 21 3JHNHA . 1 1 39 39 ARG H . . . . 1 1 39 39 ARG HA . . . 5.15 . . . . . . . . . . . . . . 4638 1 22 3JHNHA . 1 1 41 41 CYS H . . . . 1 1 41 41 CYS HA . . . 9.42 . . . . . . . . . . . . . . 4638 1 23 3JHNHA . 1 1 42 42 MET H . . . . 1 1 42 42 MET HA . . . 9.32 . . . . . . . . . . . . . . 4638 1 24 3JHNHA . 1 1 43 43 LYS H . . . . 1 1 43 43 LYS HA . . . 9.52 . . . . . . . . . . . . . . 4638 1 25 3JHNHA . 1 1 44 44 LYS H . . . . 1 1 44 44 LYS HA . . . 10.37 . . . . . . . . . . . . . . 4638 1 26 3JHNHA . 1 1 45 45 THR H . . . . 1 1 45 45 THR HA . . . 8.61 . . . . . . . . . . . . . . 4638 1 27 3JHNHA . 1 1 46 46 ILE H . . . . 1 1 46 46 ILE HA . . . 8.71 . . . . . . . . . . . . . . 4638 1 28 3JHNHA . 1 1 47 47 TYR H . . . . 1 1 47 47 TYR HA . . . 9.79 . . . . . . . . . . . . . . 4638 1 29 3JHNHA . 1 1 52 52 PHE H . . . . 1 1 52 52 PHE HA . . . 9.04 . . . . . . . . . . . . . . 4638 1 30 3JHNHA . 1 1 56 56 LYS H . . . . 1 1 56 56 LYS HA . . . 10.62 . . . . . . . . . . . . . . 4638 1 31 3JHNHA . 1 1 58 58 TYR H . . . . 1 1 58 58 TYR HA . . . 10.67 . . . . . . . . . . . . . . 4638 1 32 3JHNHA . 1 1 59 59 GLU H . . . . 1 1 59 59 GLU HA . . . 9.77 . . . . . . . . . . . . . . 4638 1 33 3JHNHA . 1 1 60 60 TYR H . . . . 1 1 60 60 TYR HA . . . 10.15 . . . . . . . . . . . . . . 4638 1 34 3JHNHA . 1 1 61 61 GLN H . . . . 1 1 61 61 GLN HA . . . 9.87 . . . . . . . . . . . . . . 4638 1 35 3JHNHA . 1 1 62 62 LEU H . . . . 1 1 62 62 LEU HA . . . 9.78 . . . . . . . . . . . . . . 4638 1 36 3JHNHA . 1 1 63 63 TYR H . . . . 1 1 63 63 TYR HA . . . 10.70 . . . . . . . . . . . . . . 4638 1 37 3JHNHA . 1 1 65 65 TYR H . . . . 1 1 65 65 TYR HA . . . 8.66 . . . . . . . . . . . . . . 4638 1 38 3JHNHA . 1 1 66 66 ALA H . . . . 1 1 66 66 ALA HA . . . 9.00 . . . . . . . . . . . . . . 4638 1 39 3JHNHA . 1 1 69 69 LYS H . . . . 1 1 69 69 LYS HA . . . 9.33 . . . . . . . . . . . . . . 4638 1 40 3JHNHA . 1 1 71 71 PHE H . . . . 1 1 71 71 PHE HA . . . 9.69 . . . . . . . . . . . . . . 4638 1 41 3JHNHA . 1 1 72 72 ARG H . . . . 1 1 72 72 ARG HA . . . 9.48 . . . . . . . . . . . . . . 4638 1 42 3JHNHA . 1 1 73 73 ALA H . . . . 1 1 73 73 ALA HA . . . 9.86 . . . . . . . . . . . . . . 4638 1 43 3JHNHA . 1 1 74 74 ASP H . . . . 1 1 74 74 ASP HA . . . 10.63 . . . . . . . . . . . . . . 4638 1 44 3JHNHA . 1 1 75 75 ILE H . . . . 1 1 75 75 ILE HA . . . 10.13 . . . . . . . . . . . . . . 4638 1 45 3JHNHA . 1 1 76 76 SER H . . . . 1 1 76 76 SER HA . . . 9.66 . . . . . . . . . . . . . . 4638 1 46 3JHNHA . 1 1 77 77 GLU H . . . . 1 1 77 77 GLU HA . . . 8.84 . . . . . . . . . . . . . . 4638 1 47 3JHNHA . 1 1 79 79 TYR H . . . . 1 1 79 79 TYR HA . . . 3.93 . . . . . . . . . . . . . . 4638 1 48 3JHNHA . 1 1 84 84 ARG H . . . . 1 1 84 84 ARG HA . . . 10.21 . . . . . . . . . . . . . . 4638 1 49 3JHNHA . 1 1 85 85 LYS H . . . . 1 1 85 85 LYS HA . . . 9.45 . . . . . . . . . . . . . . 4638 1 50 3JHNHA . 1 1 87 87 LEU H . . . . 1 1 87 87 LEU HA . . . 9.48 . . . . . . . . . . . . . . 4638 1 51 3JHNHA . 1 1 89 89 PHE H . . . . 1 1 89 89 PHE HA . . . 8.52 . . . . . . . . . . . . . . 4638 1 52 3JHNHA . 1 1 90 90 ASN H . . . . 1 1 90 90 ASN HA . . . 9.35 . . . . . . . . . . . . . . 4638 1 53 3JHNHA . 1 1 93 93 VAL H . . . . 1 1 93 93 VAL HA . . . 9.69 . . . . . . . . . . . . . . 4638 1 stop_ save_ save_JHAHB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JHAHB _Coupling_constant_list.Entry_ID 4638 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4638 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHAHB . 1 1 22 22 GLU HA . . . . 1 1 22 22 GLU HB2 . . . 5.9 . . . . . . . . . . . . . . 4638 2 2 3JHAHB . 1 1 24 24 ASN HA . . . . 1 1 24 24 ASN HB2 . . . 8.7 . . . . . . . . . . . . . . 4638 2 3 3JHAHB . 1 1 24 24 ASN HA . . . . 1 1 24 24 ASN HB3 . . . 4.6 . . . . . . . . . . . . . . 4638 2 4 3JHAHB . 1 1 29 29 TYR HA . . . . 1 1 29 29 TYR HB3 . . . 10.3 . . . . . . . . . . . . . . 4638 2 5 3JHAHB . 1 1 31 31 ARG HA . . . . 1 1 31 31 ARG HB2 . . . 9.6 . . . . . . . . . . . . . . 4638 2 6 3JHAHB . 1 1 32 32 LEU HA . . . . 1 1 32 32 LEU HB2 . . . 11.2 . . . . . . . . . . . . . . 4638 2 7 3JHAHB . 1 1 35 35 ASN HA . . . . 1 1 35 35 ASN HB2 . . . 8.0 . . . . . . . . . . . . . . 4638 2 8 3JHAHB . 1 1 41 41 CYS HA . . . . 1 1 41 41 CYS HB3 . . . 8.5 . . . . . . . . . . . . . . 4638 2 9 3JHAHB . 1 1 44 44 LYS HA . . . . 1 1 44 44 LYS HB3 . . . 13.1 . . . . . . . . . . . . . . 4638 2 10 3JHAHB . 1 1 47 47 TYR HA . . . . 1 1 47 47 TYR HB2 . . . 7.0 . . . . . . . . . . . . . . 4638 2 11 3JHAHB . 1 1 52 52 PHE HA . . . . 1 1 52 52 PHE HB2 . . . 7.2 . . . . . . . . . . . . . . 4638 2 12 3JHAHB . 1 1 52 52 PHE HA . . . . 1 1 52 52 PHE HB3 . . . 8.8 . . . . . . . . . . . . . . 4638 2 13 3JHAHB . 1 1 58 58 TYR HA . . . . 1 1 58 58 TYR HB2 . . . 6.1 . . . . . . . . . . . . . . 4638 2 14 3JHAHB . 1 1 58 58 TYR HA . . . . 1 1 58 58 TYR HB3 . . . 11.1 . . . . . . . . . . . . . . 4638 2 15 3JHAHB . 1 1 59 59 GLU HA . . . . 1 1 59 59 GLU HB2 . . . 10.2 . . . . . . . . . . . . . . 4638 2 16 3JHAHB . 1 1 59 59 GLU HA . . . . 1 1 59 59 GLU HB3 . . . 6.5 . . . . . . . . . . . . . . 4638 2 17 3JHAHB . 1 1 60 60 TYR HA . . . . 1 1 60 60 TYR HB2 . . . 6.0 . . . . . . . . . . . . . . 4638 2 18 3JHAHB . 1 1 60 60 TYR HA . . . . 1 1 60 60 TYR HB3 . . . 10.8 . . . . . . . . . . . . . . 4638 2 19 3JHAHB . 1 1 62 62 LEU HA . . . . 1 1 62 62 LEU HB2 . . . 5.7 . . . . . . . . . . . . . . 4638 2 20 3JHAHB . 1 1 62 62 LEU HA . . . . 1 1 62 62 LEU HB3 . . . 11.8 . . . . . . . . . . . . . . 4638 2 21 3JHAHB . 1 1 65 65 TYR HA . . . . 1 1 65 65 TYR HB3 . . . 9.9 . . . . . . . . . . . . . . 4638 2 22 3JHAHB . 1 1 68 68 ASP HA . . . . 1 1 68 68 ASP HB3 . . . 9.1 . . . . . . . . . . . . . . 4638 2 23 3JHAHB . 1 1 72 72 ARG HA . . . . 1 1 72 72 ARG HB2 . . . 10.0 . . . . . . . . . . . . . . 4638 2 24 3JHAHB . 1 1 72 72 ARG HA . . . . 1 1 72 72 ARG HB3 . . . 6.2 . . . . . . . . . . . . . . 4638 2 25 3JHAHB . 1 1 74 74 ASP HA . . . . 1 1 74 74 ASP HB2 . . . 7.7 . . . . . . . . . . . . . . 4638 2 26 3JHAHB . 1 1 74 74 ASP HA . . . . 1 1 74 74 ASP HB3 . . . 10.5 . . . . . . . . . . . . . . 4638 2 27 3JHAHB . 1 1 77 77 GLU HA . . . . 1 1 77 77 GLU HB2 . . . 10.5 . . . . . . . . . . . . . . 4638 2 28 3JHAHB . 1 1 77 77 GLU HA . . . . 1 1 77 77 GLU HB3 . . . 7.2 . . . . . . . . . . . . . . 4638 2 29 3JHAHB . 1 1 86 86 LEU HA . . . . 1 1 86 86 LEU HB2 . . . 10.8 . . . . . . . . . . . . . . 4638 2 30 3JHAHB . 1 1 86 86 LEU HA . . . . 1 1 86 86 LEU HB3 . . . 7.2 . . . . . . . . . . . . . . 4638 2 31 3JHAHB . 1 1 87 87 LEU HA . . . . 1 1 87 87 LEU HB2 . . . 10.8 . . . . . . . . . . . . . . 4638 2 32 3JHAHB . 1 1 87 87 LEU HA . . . . 1 1 87 87 LEU HB3 . . . 6.6 . . . . . . . . . . . . . . 4638 2 33 3JHAHB . 1 1 89 89 PHE HA . . . . 1 1 89 89 PHE HB2 . . . 10.5 . . . . . . . . . . . . . . 4638 2 34 3JHAHB . 1 1 89 89 PHE HA . . . . 1 1 89 89 PHE HB3 . . . 6.2 . . . . . . . . . . . . . . 4638 2 stop_ save_ save_JNHB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode JNHB _Coupling_constant_list.Entry_ID 4638 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4638 3 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JNHB . 1 1 5 5 ILE N . . . . 1 1 5 5 ILE HB . . . -1.83 . . 1.0 . . . . . . . . . . . 4638 3 2 3JNHB . 1 1 8 8 ILE N . . . . 1 1 8 8 ILE HB . . . -4.55 . . 1.0 . . . . . . . . . . . 4638 3 3 3JNHB . 1 1 11 11 PHE N . . . . 1 1 11 11 PHE HB2 . . . -0.96 . . 1.0 . . . . . . . . . . . 4638 3 4 3JNHB . 1 1 11 11 PHE N . . . . 1 1 11 11 PHE HB3 . . . -1.18 . . 1.0 . . . . . . . . . . . 4638 3 5 3JNHB . 1 1 12 12 THR N . . . . 1 1 12 12 THR HB . . . -0.64 . . 1.0 . . . . . . . . . . . 4638 3 6 3JNHB . 1 1 14 14 ASN N . . . . 1 1 14 14 ASN HB2 . . . -1.28 . . 1.0 . . . . . . . . . . . 4638 3 7 3JNHB . 1 1 14 14 ASN N . . . . 1 1 14 14 ASN HB3 . . . -3.49 . . 1.0 . . . . . . . . . . . 4638 3 8 3JNHB . 1 1 24 24 ASN N . . . . 1 1 24 24 ASN HB2 . . . -2.01 . . 1.0 . . . . . . . . . . . 4638 3 9 3JNHB . 1 1 24 24 ASN N . . . . 1 1 24 24 ASN HB3 . . . -3.95 . . 1.0 . . . . . . . . . . . 4638 3 10 3JNHB . 1 1 26 26 ILE N . . . . 1 1 26 26 ILE HB . . . -1.57 . . 1.0 . . . . . . . . . . . 4638 3 11 3JNHB . 1 1 29 29 TYR N . . . . 1 1 29 29 TYR HB2 . . . -4.62 . . 1.0 . . . . . . . . . . . 4638 3 12 3JNHB . 1 1 29 29 TYR N . . . . 1 1 29 29 TYR HB3 . . . -0.99 . . 1.0 . . . . . . . . . . . 4638 3 13 3JNHB . 1 1 32 32 LEU N . . . . 1 1 32 32 LEU HB2 . . . -1.25 . . 1.0 . . . . . . . . . . . 4638 3 14 3JNHB . 1 1 32 32 LEU N . . . . 1 1 32 32 LEU HB3 . . . -3.49 . . 1.0 . . . . . . . . . . . 4638 3 15 3JNHB . 1 1 35 35 ASN N . . . . 1 1 35 35 ASN HB2 . . . -4.95 . . 1.0 . . . . . . . . . . . 4638 3 16 3JNHB . 1 1 35 35 ASN N . . . . 1 1 35 35 ASN HB3 . . . -0.96 . . 1.0 . . . . . . . . . . . 4638 3 17 3JNHB . 1 1 38 38 ILE N . . . . 1 1 38 38 ILE HB . . . -3.48 . . 1.0 . . . . . . . . . . . 4638 3 18 3JNHB . 1 1 41 41 CYS N . . . . 1 1 41 41 CYS HB2 . . . -0.91 . . 1.0 . . . . . . . . . . . 4638 3 19 3JNHB . 1 1 41 41 CYS N . . . . 1 1 41 41 CYS HB3 . . . -2.17 . . 1.0 . . . . . . . . . . . 4638 3 20 3JNHB . 1 1 52 52 PHE N . . . . 1 1 52 52 PHE HB2 . . . -2.77 . . 1.0 . . . . . . . . . . . 4638 3 21 3JNHB . 1 1 52 52 PHE N . . . . 1 1 52 52 PHE HB3 . . . -1.47 . . 1.0 . . . . . . . . . . . 4638 3 22 3JNHB . 1 1 67 67 SER N . . . . 1 1 67 67 SER HB3 . . . -1.12 . . 1.0 . . . . . . . . . . . 4638 3 23 3JNHB . 1 1 71 71 PHE N . . . . 1 1 71 71 PHE HB2 . . . -1.53 . . 1.0 . . . . . . . . . . . 4638 3 24 3JNHB . 1 1 71 71 PHE N . . . . 1 1 71 71 PHE HB3 . . . -4.02 . . 1.0 . . . . . . . . . . . 4638 3 25 3JNHB . 1 1 75 75 ILE N . . . . 1 1 75 75 ILE HB . . . -1.75 . . 1.0 . . . . . . . . . . . 4638 3 26 3JNHB . 1 1 76 76 SER N . . . . 1 1 76 76 SER HB2 . . . -2.19 . . 1.0 . . . . . . . . . . . 4638 3 27 3JNHB . 1 1 76 76 SER N . . . . 1 1 76 76 SER HB3 . . . -1.09 . . 1.0 . . . . . . . . . . . 4638 3 stop_ save_