data_4831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4831 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Lysozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-15 _Entry.Accession_date 2000-09-15 _Entry.Last_release_date 2001-05-01 _Entry.Original_release_date 2001-05-01 _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 Harald Schwalbe . . . 4831 2 Shaun Grimshaw . . . 4831 3 Andrew Spencer . . . 4831 4 Matthias Buck . . . 4831 5 Jonathan Boyd . . . 4831 6 Christopher Dobson . M . 4831 7 Christina Redfield . . . 4831 8 Lorna Smith . J . 4831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4831 RDCs 2 4831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 4831 '15N chemical shifts' 147 4831 'residual dipolar couplings' 209 4831 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 . . 2001-05-01 2000-09-15 original author . 4831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4831 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11274458 _Citation.Full_citation . _Citation.Title ; A Refined Solution Structure of Hen Lysozyme Determined Using Residual Dipolar Coupling Data ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein Science' _Citation.Journal_volume 10 _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 677 _Citation.Page_last 688 _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 Harald Schwalbe . . . 4831 1 2 Shaun Grimshaw . . . 4831 1 3 Andrew Spencer . . . 4831 1 4 Matthias Buck . . . 4831 1 5 Jonathan Boyd . . . 4831 1 6 Christopher Dobson . M . 4831 1 7 Christina Redfield . . . 4831 1 8 Lorna Smith . J . 4831 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Lysozyme 4831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HEWL _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HEWL _Assembly.Entry_ID 4831 _Assembly.ID 1 _Assembly.Name 'hen egg white lysozyme' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomeric 4831 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 lysozyme 1 $lysozyme . . . native . . . . . 4831 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hen egg white lysozyme' system 4831 1 HEWL abbreviation 4831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lysozyme _Entity.Sf_category entity _Entity.Sf_framecode lysozyme _Entity.Entry_ID 4831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'hen egg white lysozyme' _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 ; KVFGRCELAAAMKRHGLDNY RGYSLGNWVCAAKFESNFNT EATNRNTDGSTDYGILQINS RWWCNDGRTPGSRNLCNIPC SALLSSDITASVNCAKKIVS DGNGMNAWVAWRNRCKGTDV QAWIRGCRL ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hen egg white lysozyme' common 4831 1 HEWL abbreviation 4831 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 . LYS . 4831 1 2 . VAL . 4831 1 3 . PHE . 4831 1 4 . GLY . 4831 1 5 . ARG . 4831 1 6 . CYS . 4831 1 7 . GLU . 4831 1 8 . LEU . 4831 1 9 . ALA . 4831 1 10 . ALA . 4831 1 11 . ALA . 4831 1 12 . MET . 4831 1 13 . LYS . 4831 1 14 . ARG . 4831 1 15 . HIS . 4831 1 16 . GLY . 4831 1 17 . LEU . 4831 1 18 . ASP . 4831 1 19 . ASN . 4831 1 20 . TYR . 4831 1 21 . ARG . 4831 1 22 . GLY . 4831 1 23 . TYR . 4831 1 24 . SER . 4831 1 25 . LEU . 4831 1 26 . GLY . 4831 1 27 . ASN . 4831 1 28 . TRP . 4831 1 29 . VAL . 4831 1 30 . CYS . 4831 1 31 . ALA . 4831 1 32 . ALA . 4831 1 33 . LYS . 4831 1 34 . PHE . 4831 1 35 . GLU . 4831 1 36 . SER . 4831 1 37 . ASN . 4831 1 38 . PHE . 4831 1 39 . ASN . 4831 1 40 . THR . 4831 1 41 . GLU . 4831 1 42 . ALA . 4831 1 43 . THR . 4831 1 44 . ASN . 4831 1 45 . ARG . 4831 1 46 . ASN . 4831 1 47 . THR . 4831 1 48 . ASP . 4831 1 49 . GLY . 4831 1 50 . SER . 4831 1 51 . THR . 4831 1 52 . ASP . 4831 1 53 . TYR . 4831 1 54 . GLY . 4831 1 55 . ILE . 4831 1 56 . LEU . 4831 1 57 . GLN . 4831 1 58 . ILE . 4831 1 59 . ASN . 4831 1 60 . SER . 4831 1 61 . ARG . 4831 1 62 . TRP . 4831 1 63 . TRP . 4831 1 64 . CYS . 4831 1 65 . ASN . 4831 1 66 . ASP . 4831 1 67 . GLY . 4831 1 68 . ARG . 4831 1 69 . THR . 4831 1 70 . PRO . 4831 1 71 . GLY . 4831 1 72 . SER . 4831 1 73 . ARG . 4831 1 74 . ASN . 4831 1 75 . LEU . 4831 1 76 . CYS . 4831 1 77 . ASN . 4831 1 78 . ILE . 4831 1 79 . PRO . 4831 1 80 . CYS . 4831 1 81 . SER . 4831 1 82 . ALA . 4831 1 83 . LEU . 4831 1 84 . LEU . 4831 1 85 . SER . 4831 1 86 . SER . 4831 1 87 . ASP . 4831 1 88 . ILE . 4831 1 89 . THR . 4831 1 90 . ALA . 4831 1 91 . SER . 4831 1 92 . VAL . 4831 1 93 . ASN . 4831 1 94 . CYS . 4831 1 95 . ALA . 4831 1 96 . LYS . 4831 1 97 . LYS . 4831 1 98 . ILE . 4831 1 99 . VAL . 4831 1 100 . SER . 4831 1 101 . ASP . 4831 1 102 . GLY . 4831 1 103 . ASN . 4831 1 104 . GLY . 4831 1 105 . MET . 4831 1 106 . ASN . 4831 1 107 . ALA . 4831 1 108 . TRP . 4831 1 109 . VAL . 4831 1 110 . ALA . 4831 1 111 . TRP . 4831 1 112 . ARG . 4831 1 113 . ASN . 4831 1 114 . ARG . 4831 1 115 . CYS . 4831 1 116 . LYS . 4831 1 117 . GLY . 4831 1 118 . THR . 4831 1 119 . ASP . 4831 1 120 . VAL . 4831 1 121 . GLN . 4831 1 122 . ALA . 4831 1 123 . TRP . 4831 1 124 . ILE . 4831 1 125 . ARG . 4831 1 126 . GLY . 4831 1 127 . CYS . 4831 1 128 . ARG . 4831 1 129 . LEU . 4831 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 . LYS 1 1 4831 1 . VAL 2 2 4831 1 . PHE 3 3 4831 1 . GLY 4 4 4831 1 . ARG 5 5 4831 1 . CYS 6 6 4831 1 . GLU 7 7 4831 1 . LEU 8 8 4831 1 . ALA 9 9 4831 1 . ALA 10 10 4831 1 . ALA 11 11 4831 1 . MET 12 12 4831 1 . LYS 13 13 4831 1 . ARG 14 14 4831 1 . HIS 15 15 4831 1 . GLY 16 16 4831 1 . LEU 17 17 4831 1 . ASP 18 18 4831 1 . ASN 19 19 4831 1 . TYR 20 20 4831 1 . ARG 21 21 4831 1 . GLY 22 22 4831 1 . TYR 23 23 4831 1 . SER 24 24 4831 1 . LEU 25 25 4831 1 . GLY 26 26 4831 1 . ASN 27 27 4831 1 . TRP 28 28 4831 1 . VAL 29 29 4831 1 . CYS 30 30 4831 1 . ALA 31 31 4831 1 . ALA 32 32 4831 1 . LYS 33 33 4831 1 . PHE 34 34 4831 1 . GLU 35 35 4831 1 . SER 36 36 4831 1 . ASN 37 37 4831 1 . PHE 38 38 4831 1 . ASN 39 39 4831 1 . THR 40 40 4831 1 . GLU 41 41 4831 1 . ALA 42 42 4831 1 . THR 43 43 4831 1 . ASN 44 44 4831 1 . ARG 45 45 4831 1 . ASN 46 46 4831 1 . THR 47 47 4831 1 . ASP 48 48 4831 1 . GLY 49 49 4831 1 . SER 50 50 4831 1 . THR 51 51 4831 1 . ASP 52 52 4831 1 . TYR 53 53 4831 1 . GLY 54 54 4831 1 . ILE 55 55 4831 1 . LEU 56 56 4831 1 . GLN 57 57 4831 1 . ILE 58 58 4831 1 . ASN 59 59 4831 1 . SER 60 60 4831 1 . ARG 61 61 4831 1 . TRP 62 62 4831 1 . TRP 63 63 4831 1 . CYS 64 64 4831 1 . ASN 65 65 4831 1 . ASP 66 66 4831 1 . GLY 67 67 4831 1 . ARG 68 68 4831 1 . THR 69 69 4831 1 . PRO 70 70 4831 1 . GLY 71 71 4831 1 . SER 72 72 4831 1 . ARG 73 73 4831 1 . ASN 74 74 4831 1 . LEU 75 75 4831 1 . CYS 76 76 4831 1 . ASN 77 77 4831 1 . ILE 78 78 4831 1 . PRO 79 79 4831 1 . CYS 80 80 4831 1 . SER 81 81 4831 1 . ALA 82 82 4831 1 . LEU 83 83 4831 1 . LEU 84 84 4831 1 . SER 85 85 4831 1 . SER 86 86 4831 1 . ASP 87 87 4831 1 . ILE 88 88 4831 1 . THR 89 89 4831 1 . ALA 90 90 4831 1 . SER 91 91 4831 1 . VAL 92 92 4831 1 . ASN 93 93 4831 1 . CYS 94 94 4831 1 . ALA 95 95 4831 1 . LYS 96 96 4831 1 . LYS 97 97 4831 1 . ILE 98 98 4831 1 . VAL 99 99 4831 1 . SER 100 100 4831 1 . ASP 101 101 4831 1 . GLY 102 102 4831 1 . ASN 103 103 4831 1 . GLY 104 104 4831 1 . MET 105 105 4831 1 . ASN 106 106 4831 1 . ALA 107 107 4831 1 . TRP 108 108 4831 1 . VAL 109 109 4831 1 . ALA 110 110 4831 1 . TRP 111 111 4831 1 . ARG 112 112 4831 1 . ASN 113 113 4831 1 . ARG 114 114 4831 1 . CYS 115 115 4831 1 . LYS 116 116 4831 1 . GLY 117 117 4831 1 . THR 118 118 4831 1 . ASP 119 119 4831 1 . VAL 120 120 4831 1 . GLN 121 121 4831 1 . ALA 122 122 4831 1 . TRP 123 123 4831 1 . ILE 124 124 4831 1 . ARG 125 125 4831 1 . GLY 126 126 4831 1 . CYS 127 127 4831 1 . ARG 128 128 4831 1 . LEU 129 129 4831 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 4831 _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 $lysozyme . 9031 organism . 'Gallus gallus' hen . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 'hen egg white' . . . . . . . 4831 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 4831 _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 $lysozyme . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4831 _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 'hen egg white lysozyme' '[U-95% 13C; U-98% 15N]' . . 1 $lysozyme . . 1.5 . . mM . . . . 4831 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4831 _Sample.ID 2 _Sample.Type Bi-cell _Sample.Sub_type . _Sample.Details ; dimyristoyl-phosphatidlycholine (DMPC) and dihexanoyl-phosphatidylcholine (DHPC), [DMPC]/[DHPC]=2.9, in 10mM phosphate buffer at pH 6.5 (93%/7% H2O/D2O) with a small amount of dioxane for 1H chemical shift referencing ; _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 'hen egg white lysozyme' [U-15N] . . 1 $lysozyme . . 0.5 . . mM . . . . 4831 2 2 DMPC/DHPC . . . . . . . 5 . . % . . . . 4831 2 3 phosphate . . . . . . . 10 . . mM . . . . 4831 2 4 H2O . . . . . . . 93 . . % . . . . 4831 2 5 D2O . . . . . . . 7 . . % . . . . 4831 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4831 _Sample.ID 3 _Sample.Type Bi-cell _Sample.Sub_type . _Sample.Details ; dimyristoyl-phosphatidlycholine (DMPC), dihexanoyl-phosphatidylcholine (DHPC) and cetyltrimethylammonium bromide (CTBA). DMPC]:[DHPC]:[CTAB] = 2.9:1.0:0.1, in 10mM phosphate buffer at pH 6.5 (93%/7% H2O/D2O) with a small amount of dioxane for 1H chemical shift referencing ; _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 'hen egg white lysozyme' [U-15N] . . 1 $lysozyme . . 0.5 . . mM . . . . 4831 3 2 DMPC/DHPC/CTAB . . . . . . . 7.5 . . % . . . . 4831 3 3 phosphate . . . . . . . 10 . . mM . . . . 4831 3 4 H2O . . . . . . . 93 . . % . . . . 4831 3 5 D2O . . . . . . . 7 . . % . . . . 4831 3 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 4831 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.8 0.2 n/a 4831 1 temperature 308 1 K 4831 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4831 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 4831 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4831 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home built console' _NMR_spectrometer.Manufacturer Omega _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4831 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home built console' _NMR_spectrometer.Manufacturer Omega _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4831 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'home built console' _NMR_spectrometer.Manufacturer Omega _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 4831 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 4831 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _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 4831 _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 Omega . . 750 'home built console' . . 4831 1 2 spectrometer_2 Omega . . 600 'home built console' . . 4831 1 3 spectrometer_3 Omega . . 500 'home built console' . . 4831 1 4 spectrometer_4 Bruker . . 800 . . . 4831 1 5 spectrometer_5 Bruker . . 600 . . . 4831 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 4831 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 3 '1H-15N HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 4 HNCO . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 5 HNCA . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 6 CBCACONH . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 7 CBCANH . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 9 HCCH-NOESY . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 10 'SOFT HCCH-COSY' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 11 'SOFT HCCH-E.COSY' . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 12 HMQCJ . . . . . . . . . . . . . . . . 1 $ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4831 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4831 _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 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4831 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4831 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4831 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4831 1 . . 2 $sample_2 . 4831 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 LYS C C 13 171.4 0.1 . . . . . . . . . . 4831 1 2 . 1 1 1 1 LYS CA C 13 55.5 0.1 . . . . . . . . . . 4831 1 3 . 1 1 1 1 LYS CB C 13 34.2 0.1 . . . . . . . . . . 4831 1 4 . 1 1 2 2 VAL C C 13 177.2 0.1 . . . . . . . . . . 4831 1 5 . 1 1 2 2 VAL CA C 13 61.7 0.1 . . . . . . . . . . 4831 1 6 . 1 1 2 2 VAL CB C 13 31.8 0.1 . . . . . . . . . . 4831 1 7 . 1 1 2 2 VAL N N 15 127.72 0.05 . . . . . . . . . . 4831 1 8 . 1 1 3 3 PHE C C 13 176.9 0.1 . . . . . . . . . . 4831 1 9 . 1 1 3 3 PHE CA C 13 59.2 0.1 . . . . . . . . . . 4831 1 10 . 1 1 3 3 PHE CB C 13 42.1 0.1 . . . . . . . . . . 4831 1 11 . 1 1 3 3 PHE N N 15 127.80 0.05 . . . . . . . . . . 4831 1 12 . 1 1 4 4 GLY C C 13 174.5 0.1 . . . . . . . . . . 4831 1 13 . 1 1 4 4 GLY CA C 13 44.4 0.1 . . . . . . . . . . 4831 1 14 . 1 1 4 4 GLY N N 15 104.86 0.05 . . . . . . . . . . 4831 1 15 . 1 1 5 5 ARG C C 13 177.4 0.1 . . . . . . . . . . 4831 1 16 . 1 1 5 5 ARG CA C 13 60.6 0.1 . . . . . . . . . . 4831 1 17 . 1 1 5 5 ARG CB C 13 31.0 0.1 . . . . . . . . . . 4831 1 18 . 1 1 5 5 ARG N N 15 122.92 0.05 . . . . . . . . . . 4831 1 19 . 1 1 6 6 CYS C C 13 177.8 0.1 . . . . . . . . . . 4831 1 20 . 1 1 6 6 CYS CA C 13 54.8 0.1 . . . . . . . . . . 4831 1 21 . 1 1 6 6 CYS CB C 13 33.7 0.1 . . . . . . . . . . 4831 1 22 . 1 1 6 6 CYS N N 15 114.84 0.05 . . . . . . . . . . 4831 1 23 . 1 1 7 7 GLU C C 13 179.7 0.1 . . . . . . . . . . 4831 1 24 . 1 1 7 7 GLU CA C 13 59.1 0.1 . . . . . . . . . . 4831 1 25 . 1 1 7 7 GLU CB C 13 29.5 0.1 . . . . . . . . . . 4831 1 26 . 1 1 7 7 GLU N N 15 125.30 0.05 . . . . . . . . . . 4831 1 27 . 1 1 8 8 LEU C C 13 178.2 0.1 . . . . . . . . . . 4831 1 28 . 1 1 8 8 LEU CA C 13 57.1 0.1 . . . . . . . . . . 4831 1 29 . 1 1 8 8 LEU CB C 13 40.2 0.1 . . . . . . . . . . 4831 1 30 . 1 1 8 8 LEU N N 15 120.56 0.05 . . . . . . . . . . 4831 1 31 . 1 1 9 9 ALA C C 13 178.5 0.1 . . . . . . . . . . 4831 1 32 . 1 1 9 9 ALA CA C 13 55.9 0.1 . . . . . . . . . . 4831 1 33 . 1 1 9 9 ALA CB C 13 19.1 0.1 . . . . . . . . . . 4831 1 34 . 1 1 9 9 ALA N N 15 121.56 0.05 . . . . . . . . . . 4831 1 35 . 1 1 10 10 ALA C C 13 179.9 0.1 . . . . . . . . . . 4831 1 36 . 1 1 10 10 ALA CA C 13 55.3 0.1 . . . . . . . . . . 4831 1 37 . 1 1 10 10 ALA CB C 13 18.2 0.1 . . . . . . . . . . 4831 1 38 . 1 1 10 10 ALA N N 15 118.40 0.05 . . . . . . . . . . 4831 1 39 . 1 1 11 11 ALA C C 13 180.9 0.1 . . . . . . . . . . 4831 1 40 . 1 1 11 11 ALA CA C 13 55.3 0.1 . . . . . . . . . . 4831 1 41 . 1 1 11 11 ALA CB C 13 18.3 0.1 . . . . . . . . . . 4831 1 42 . 1 1 11 11 ALA N N 15 121.56 0.05 . . . . . . . . . . 4831 1 43 . 1 1 12 12 MET C C 13 177.7 0.1 . . . . . . . . . . 4831 1 44 . 1 1 12 12 MET CA C 13 61.4 0.1 . . . . . . . . . . 4831 1 45 . 1 1 12 12 MET CB C 13 33.1 0.1 . . . . . . . . . . 4831 1 46 . 1 1 12 12 MET N N 15 118.66 0.05 . . . . . . . . . . 4831 1 47 . 1 1 13 13 LYS C C 13 180.8 0.1 . . . . . . . . . . 4831 1 48 . 1 1 13 13 LYS CA C 13 59.5 0.1 . . . . . . . . . . 4831 1 49 . 1 1 13 13 LYS CB C 13 32.6 0.1 . . . . . . . . . . 4831 1 50 . 1 1 13 13 LYS N N 15 122.06 0.05 . . . . . . . . . . 4831 1 51 . 1 1 14 14 ARG C C 13 177.2 0.1 . . . . . . . . . . 4831 1 52 . 1 1 14 14 ARG CA C 13 59.0 0.1 . . . . . . . . . . 4831 1 53 . 1 1 14 14 ARG CB C 13 29.7 0.1 . . . . . . . . . . 4831 1 54 . 1 1 14 14 ARG N N 15 120.14 0.05 . . . . . . . . . . 4831 1 55 . 1 1 15 15 HIS C C 13 174.2 0.1 . . . . . . . . . . 4831 1 56 . 1 1 15 15 HIS CA C 13 56.2 0.1 . . . . . . . . . . 4831 1 57 . 1 1 15 15 HIS CB C 13 28.8 0.1 . . . . . . . . . . 4831 1 58 . 1 1 15 15 HIS N N 15 112.48 0.05 . . . . . . . . . . 4831 1 59 . 1 1 16 16 GLY C C 13 175.8 0.1 . . . . . . . . . . 4831 1 60 . 1 1 16 16 GLY CA C 13 47.6 0.1 . . . . . . . . . . 4831 1 61 . 1 1 16 16 GLY N N 15 106.14 0.05 . . . . . . . . . . 4831 1 62 . 1 1 17 17 LEU C C 13 177.5 0.1 . . . . . . . . . . 4831 1 63 . 1 1 17 17 LEU CA C 13 55.2 0.1 . . . . . . . . . . 4831 1 64 . 1 1 17 17 LEU CB C 13 41.2 0.1 . . . . . . . . . . 4831 1 65 . 1 1 17 17 LEU N N 15 115.24 0.05 . . . . . . . . . . 4831 1 66 . 1 1 18 18 ASP C C 13 176.8 0.1 . . . . . . . . . . 4831 1 67 . 1 1 18 18 ASP CA C 13 56.4 0.1 . . . . . . . . . . 4831 1 68 . 1 1 18 18 ASP CB C 13 41.2 0.1 . . . . . . . . . . 4831 1 69 . 1 1 18 18 ASP N N 15 117.92 0.05 . . . . . . . . . . 4831 1 70 . 1 1 19 19 ASN C C 13 177.0 0.1 . . . . . . . . . . 4831 1 71 . 1 1 19 19 ASN CA C 13 55.2 0.1 . . . . . . . . . . 4831 1 72 . 1 1 19 19 ASN CB C 13 37.2 0.1 . . . . . . . . . . 4831 1 73 . 1 1 19 19 ASN N N 15 123.18 0.05 . . . . . . . . . . 4831 1 74 . 1 1 19 19 ASN ND2 N 15 111.55 0.05 . . . . . . . . . . 4831 1 75 . 1 1 20 20 TYR C C 13 176.9 0.1 . . . . . . . . . . 4831 1 76 . 1 1 20 20 TYR CA C 13 62.0 0.1 . . . . . . . . . . 4831 1 77 . 1 1 20 20 TYR CB C 13 38.5 0.1 . . . . . . . . . . 4831 1 78 . 1 1 20 20 TYR N N 15 125.30 0.05 . . . . . . . . . . 4831 1 79 . 1 1 21 21 ARG C C 13 174.9 0.1 . . . . . . . . . . 4831 1 80 . 1 1 21 21 ARG CA C 13 56.3 0.1 . . . . . . . . . . 4831 1 81 . 1 1 21 21 ARG CB C 13 27.5 0.1 . . . . . . . . . . 4831 1 82 . 1 1 21 21 ARG N N 15 126.10 0.05 . . . . . . . . . . 4831 1 83 . 1 1 22 22 GLY C C 13 174.7 0.1 . . . . . . . . . . 4831 1 84 . 1 1 22 22 GLY CA C 13 45.2 0.1 . . . . . . . . . . 4831 1 85 . 1 1 22 22 GLY N N 15 101.88 0.05 . . . . . . . . . . 4831 1 86 . 1 1 23 23 TYR C C 13 176.5 0.1 . . . . . . . . . . 4831 1 87 . 1 1 23 23 TYR CA C 13 58.4 0.1 . . . . . . . . . . 4831 1 88 . 1 1 23 23 TYR CB C 13 38.8 0.1 . . . . . . . . . . 4831 1 89 . 1 1 23 23 TYR N N 15 119.20 0.05 . . . . . . . . . . 4831 1 90 . 1 1 24 24 SER C C 13 176.3 0.1 . . . . . . . . . . 4831 1 91 . 1 1 24 24 SER CA C 13 59.0 0.1 . . . . . . . . . . 4831 1 92 . 1 1 24 24 SER CB C 13 64.3 0.1 . . . . . . . . . . 4831 1 93 . 1 1 24 24 SER N N 15 121.96 0.05 . . . . . . . . . . 4831 1 94 . 1 1 25 25 LEU C C 13 178.0 0.1 . . . . . . . . . . 4831 1 95 . 1 1 25 25 LEU CA C 13 58.8 0.1 . . . . . . . . . . 4831 1 96 . 1 1 25 25 LEU CB C 13 43.6 0.1 . . . . . . . . . . 4831 1 97 . 1 1 25 25 LEU N N 15 121.68 0.05 . . . . . . . . . . 4831 1 98 . 1 1 26 26 GLY C C 13 176.0 0.1 . . . . . . . . . . 4831 1 99 . 1 1 26 26 GLY CA C 13 48.3 0.1 . . . . . . . . . . 4831 1 100 . 1 1 26 26 GLY N N 15 105.02 0.05 . . . . . . . . . . 4831 1 101 . 1 1 27 27 ASN C C 13 176.2 0.1 . . . . . . . . . . 4831 1 102 . 1 1 27 27 ASN CA C 13 59.1 0.1 . . . . . . . . . . 4831 1 103 . 1 1 27 27 ASN N N 15 117.00 0.05 . . . . . . . . . . 4831 1 104 . 1 1 27 27 ASN ND2 N 15 117.73 0.05 . . . . . . . . . . 4831 1 105 . 1 1 28 28 TRP C C 13 177.6 0.1 . . . . . . . . . . 4831 1 106 . 1 1 28 28 TRP CA C 13 59.1 0.1 . . . . . . . . . . 4831 1 107 . 1 1 28 28 TRP CB C 13 29.6 0.1 . . . . . . . . . . 4831 1 108 . 1 1 28 28 TRP N N 15 120.26 0.05 . . . . . . . . . . 4831 1 109 . 1 1 28 28 TRP NE1 N 15 129.28 0.05 . . . . . . . . . . 4831 1 110 . 1 1 29 29 VAL C C 13 177.2 0.1 . . . . . . . . . . 4831 1 111 . 1 1 29 29 VAL CA C 13 66.9 0.1 . . . . . . . . . . 4831 1 112 . 1 1 29 29 VAL CB C 13 31.7 0.1 . . . . . . . . . . 4831 1 113 . 1 1 29 29 VAL N N 15 118.78 0.05 . . . . . . . . . . 4831 1 114 . 1 1 30 30 CYS C C 13 175.5 0.1 . . . . . . . . . . 4831 1 115 . 1 1 30 30 CYS CA C 13 60.2 0.1 . . . . . . . . . . 4831 1 116 . 1 1 30 30 CYS CB C 13 42.2 0.1 . . . . . . . . . . 4831 1 117 . 1 1 30 30 CYS N N 15 118.42 0.05 . . . . . . . . . . 4831 1 118 . 1 1 31 31 ALA C C 13 178.3 0.1 . . . . . . . . . . 4831 1 119 . 1 1 31 31 ALA CA C 13 55.7 0.1 . . . . . . . . . . 4831 1 120 . 1 1 31 31 ALA CB C 13 17.4 0.1 . . . . . . . . . . 4831 1 121 . 1 1 31 31 ALA N N 15 119.06 0.05 . . . . . . . . . . 4831 1 122 . 1 1 32 32 ALA C C 13 179.2 0.1 . . . . . . . . . . 4831 1 123 . 1 1 32 32 ALA CA C 13 55.1 0.1 . . . . . . . . . . 4831 1 124 . 1 1 32 32 ALA CB C 13 19.2 0.1 . . . . . . . . . . 4831 1 125 . 1 1 32 32 ALA N N 15 117.18 0.05 . . . . . . . . . . 4831 1 126 . 1 1 33 33 LYS C C 13 178.8 0.1 . . . . . . . . . . 4831 1 127 . 1 1 33 33 LYS CA C 13 58.8 0.1 . . . . . . . . . . 4831 1 128 . 1 1 33 33 LYS CB C 13 29.7 0.1 . . . . . . . . . . 4831 1 129 . 1 1 33 33 LYS N N 15 119.82 0.05 . . . . . . . . . . 4831 1 130 . 1 1 34 34 PHE C C 13 177.0 0.1 . . . . . . . . . . 4831 1 131 . 1 1 34 34 PHE CA C 13 61.1 0.1 . . . . . . . . . . 4831 1 132 . 1 1 34 34 PHE CB C 13 39.5 0.1 . . . . . . . . . . 4831 1 133 . 1 1 34 34 PHE N N 15 114.28 0.05 . . . . . . . . . . 4831 1 134 . 1 1 35 35 GLU C C 13 176.6 0.1 . . . . . . . . . . 4831 1 135 . 1 1 35 35 GLU CA C 13 58.1 0.1 . . . . . . . . . . 4831 1 136 . 1 1 35 35 GLU CB C 13 27.4 0.1 . . . . . . . . . . 4831 1 137 . 1 1 35 35 GLU N N 15 116.98 0.05 . . . . . . . . . . 4831 1 138 . 1 1 36 36 SER C C 13 177.0 0.1 . . . . . . . . . . 4831 1 139 . 1 1 36 36 SER CA C 13 58.3 0.1 . . . . . . . . . . 4831 1 140 . 1 1 36 36 SER CB C 13 67.4 0.1 . . . . . . . . . . 4831 1 141 . 1 1 36 36 SER N N 15 108.64 0.05 . . . . . . . . . . 4831 1 142 . 1 1 37 37 ASN C C 13 174.8 0.1 . . . . . . . . . . 4831 1 143 . 1 1 37 37 ASN CA C 13 54.4 0.1 . . . . . . . . . . 4831 1 144 . 1 1 37 37 ASN CB C 13 37.9 0.1 . . . . . . . . . . 4831 1 145 . 1 1 37 37 ASN N N 15 125.66 0.05 . . . . . . . . . . 4831 1 146 . 1 1 37 37 ASN ND2 N 15 110.32 0.05 . . . . . . . . . . 4831 1 147 . 1 1 38 38 PHE C C 13 173.2 0.1 . . . . . . . . . . 4831 1 148 . 1 1 38 38 PHE CA C 13 56.9 0.1 . . . . . . . . . . 4831 1 149 . 1 1 38 38 PHE CB C 13 37.7 0.1 . . . . . . . . . . 4831 1 150 . 1 1 38 38 PHE N N 15 105.04 0.05 . . . . . . . . . . 4831 1 151 . 1 1 39 39 ASN C C 13 176.9 0.1 . . . . . . . . . . 4831 1 152 . 1 1 39 39 ASN CA C 13 52.1 0.1 . . . . . . . . . . 4831 1 153 . 1 1 39 39 ASN CB C 13 39.7 0.1 . . . . . . . . . . 4831 1 154 . 1 1 39 39 ASN N N 15 117.72 0.05 . . . . . . . . . . 4831 1 155 . 1 1 39 39 ASN ND2 N 15 111.89 0.05 . . . . . . . . . . 4831 1 156 . 1 1 40 40 THR C C 13 175.4 0.1 . . . . . . . . . . 4831 1 157 . 1 1 40 40 THR CA C 13 64.6 0.1 . . . . . . . . . . 4831 1 158 . 1 1 40 40 THR CB C 13 69.8 0.1 . . . . . . . . . . 4831 1 159 . 1 1 40 40 THR N N 15 115.18 0.05 . . . . . . . . . . 4831 1 160 . 1 1 41 41 GLU C C 13 175.5 0.1 . . . . . . . . . . 4831 1 161 . 1 1 41 41 GLU CA C 13 54.9 0.1 . . . . . . . . . . 4831 1 162 . 1 1 41 41 GLU CB C 13 29.1 0.1 . . . . . . . . . . 4831 1 163 . 1 1 41 41 GLU N N 15 115.70 0.05 . . . . . . . . . . 4831 1 164 . 1 1 42 42 ALA C C 13 176.9 0.1 . . . . . . . . . . 4831 1 165 . 1 1 42 42 ALA CA C 13 53.7 0.1 . . . . . . . . . . 4831 1 166 . 1 1 42 42 ALA CB C 13 19.4 0.1 . . . . . . . . . . 4831 1 167 . 1 1 42 42 ALA N N 15 122.34 0.05 . . . . . . . . . . 4831 1 168 . 1 1 43 43 THR C C 13 175.2 0.1 . . . . . . . . . . 4831 1 169 . 1 1 43 43 THR CA C 13 60.4 0.1 . . . . . . . . . . 4831 1 170 . 1 1 43 43 THR CB C 13 73.2 0.1 . . . . . . . . . . 4831 1 171 . 1 1 43 43 THR N N 15 114.84 0.05 . . . . . . . . . . 4831 1 172 . 1 1 44 44 ASN C C 13 173.1 0.1 . . . . . . . . . . 4831 1 173 . 1 1 44 44 ASN CA C 13 53.1 0.1 . . . . . . . . . . 4831 1 174 . 1 1 44 44 ASN CB C 13 43.1 0.1 . . . . . . . . . . 4831 1 175 . 1 1 44 44 ASN N N 15 119.80 0.05 . . . . . . . . . . 4831 1 176 . 1 1 44 44 ASN ND2 N 15 111.13 0.05 . . . . . . . . . . 4831 1 177 . 1 1 45 45 ARG C C 13 175.5 0.1 . . . . . . . . . . 4831 1 178 . 1 1 45 45 ARG CA C 13 56.4 0.1 . . . . . . . . . . 4831 1 179 . 1 1 45 45 ARG CB C 13 30.7 0.1 . . . . . . . . . . 4831 1 180 . 1 1 45 45 ARG N N 15 126.20 0.05 . . . . . . . . . . 4831 1 181 . 1 1 46 46 ASN C C 13 177.4 0.1 . . . . . . . . . . 4831 1 182 . 1 1 46 46 ASN CA C 13 52.8 0.1 . . . . . . . . . . 4831 1 183 . 1 1 46 46 ASN CB C 13 41.1 0.1 . . . . . . . . . . 4831 1 184 . 1 1 46 46 ASN N N 15 121.68 0.05 . . . . . . . . . . 4831 1 185 . 1 1 46 46 ASN ND2 N 15 113.52 0.05 . . . . . . . . . . 4831 1 186 . 1 1 47 47 THR C C 13 175.1 0.1 . . . . . . . . . . 4831 1 187 . 1 1 47 47 THR CA C 13 64.8 0.1 . . . . . . . . . . 4831 1 188 . 1 1 47 47 THR CB C 13 69.1 0.1 . . . . . . . . . . 4831 1 189 . 1 1 47 47 THR N N 15 114.10 0.05 . . . . . . . . . . 4831 1 190 . 1 1 48 48 ASP C C 13 177.2 0.1 . . . . . . . . . . 4831 1 191 . 1 1 48 48 ASP CA C 13 53.7 0.1 . . . . . . . . . . 4831 1 192 . 1 1 48 48 ASP CB C 13 40.1 0.1 . . . . . . . . . . 4831 1 193 . 1 1 48 48 ASP N N 15 118.22 0.05 . . . . . . . . . . 4831 1 194 . 1 1 49 49 GLY C C 13 174.0 0.1 . . . . . . . . . . 4831 1 195 . 1 1 49 49 GLY CA C 13 45.4 0.1 . . . . . . . . . . 4831 1 196 . 1 1 49 49 GLY N N 15 107.80 0.05 . . . . . . . . . . 4831 1 197 . 1 1 50 50 SER C C 13 172.2 0.1 . . . . . . . . . . 4831 1 198 . 1 1 50 50 SER CA C 13 58.1 0.1 . . . . . . . . . . 4831 1 199 . 1 1 50 50 SER CB C 13 66.2 0.1 . . . . . . . . . . 4831 1 200 . 1 1 50 50 SER N N 15 116.14 0.05 . . . . . . . . . . 4831 1 201 . 1 1 51 51 THR C C 13 171.4 0.1 . . . . . . . . . . 4831 1 202 . 1 1 51 51 THR CA C 13 62.6 0.1 . . . . . . . . . . 4831 1 203 . 1 1 51 51 THR CB C 13 72.2 0.1 . . . . . . . . . . 4831 1 204 . 1 1 51 51 THR N N 15 117.60 0.05 . . . . . . . . . . 4831 1 205 . 1 1 52 52 ASP C C 13 176.1 0.1 . . . . . . . . . . 4831 1 206 . 1 1 52 52 ASP CA C 13 52.6 0.1 . . . . . . . . . . 4831 1 207 . 1 1 52 52 ASP CB C 13 42.2 0.1 . . . . . . . . . . 4831 1 208 . 1 1 52 52 ASP N N 15 124.22 0.05 . . . . . . . . . . 4831 1 209 . 1 1 53 53 TYR C C 13 178.2 0.1 . . . . . . . . . . 4831 1 210 . 1 1 53 53 TYR CA C 13 59.7 0.1 . . . . . . . . . . 4831 1 211 . 1 1 53 53 TYR CB C 13 43.0 0.1 . . . . . . . . . . 4831 1 212 . 1 1 53 53 TYR N N 15 118.58 0.05 . . . . . . . . . . 4831 1 213 . 1 1 54 54 GLY C C 13 176.9 0.1 . . . . . . . . . . 4831 1 214 . 1 1 54 54 GLY CA C 13 46.6 0.1 . . . . . . . . . . 4831 1 215 . 1 1 54 54 GLY N N 15 111.60 0.05 . . . . . . . . . . 4831 1 216 . 1 1 55 55 ILE C C 13 175.5 0.1 . . . . . . . . . . 4831 1 217 . 1 1 55 55 ILE CA C 13 61.6 0.1 . . . . . . . . . . 4831 1 218 . 1 1 55 55 ILE CB C 13 40.2 0.1 . . . . . . . . . . 4831 1 219 . 1 1 55 55 ILE N N 15 121.02 0.05 . . . . . . . . . . 4831 1 220 . 1 1 56 56 LEU C C 13 174.3 0.1 . . . . . . . . . . 4831 1 221 . 1 1 56 56 LEU CA C 13 53.2 0.1 . . . . . . . . . . 4831 1 222 . 1 1 56 56 LEU CB C 13 42.5 0.1 . . . . . . . . . . 4831 1 223 . 1 1 56 56 LEU N N 15 119.04 0.05 . . . . . . . . . . 4831 1 224 . 1 1 57 57 GLN C C 13 173.2 0.1 . . . . . . . . . . 4831 1 225 . 1 1 57 57 GLN CA C 13 55.3 0.1 . . . . . . . . . . 4831 1 226 . 1 1 57 57 GLN N N 15 114.70 0.05 . . . . . . . . . . 4831 1 227 . 1 1 57 57 GLN NE2 N 15 115.36 0.05 . . . . . . . . . . 4831 1 228 . 1 1 58 58 ILE C C 13 177.4 0.1 . . . . . . . . . . 4831 1 229 . 1 1 58 58 ILE CA C 13 62.8 0.1 . . . . . . . . . . 4831 1 230 . 1 1 58 58 ILE CB C 13 32.6 0.1 . . . . . . . . . . 4831 1 231 . 1 1 58 58 ILE N N 15 121.10 0.05 . . . . . . . . . . 4831 1 232 . 1 1 59 59 ASN C C 13 177.6 0.1 . . . . . . . . . . 4831 1 233 . 1 1 59 59 ASN CA C 13 56.6 0.1 . . . . . . . . . . 4831 1 234 . 1 1 59 59 ASN CB C 13 44.2 0.1 . . . . . . . . . . 4831 1 235 . 1 1 59 59 ASN N N 15 127.22 0.05 . . . . . . . . . . 4831 1 236 . 1 1 59 59 ASN ND2 N 15 114.74 0.05 . . . . . . . . . . 4831 1 237 . 1 1 60 60 SER C C 13 175.0 0.1 . . . . . . . . . . 4831 1 238 . 1 1 60 60 SER CA C 13 61.1 0.1 . . . . . . . . . . 4831 1 239 . 1 1 60 60 SER CB C 13 65.4 0.1 . . . . . . . . . . 4831 1 240 . 1 1 60 60 SER N N 15 119.56 0.05 . . . . . . . . . . 4831 1 241 . 1 1 61 61 ARG C C 13 177.1 0.1 . . . . . . . . . . 4831 1 242 . 1 1 61 61 ARG CA C 13 58.6 0.1 . . . . . . . . . . 4831 1 243 . 1 1 61 61 ARG N N 15 123.26 0.05 . . . . . . . . . . 4831 1 244 . 1 1 62 62 TRP C C 13 177.2 0.1 . . . . . . . . . . 4831 1 245 . 1 1 62 62 TRP CA C 13 57.6 0.1 . . . . . . . . . . 4831 1 246 . 1 1 62 62 TRP N N 15 114.46 0.05 . . . . . . . . . . 4831 1 247 . 1 1 62 62 TRP NE1 N 15 128.90 0.05 . . . . . . . . . . 4831 1 248 . 1 1 63 63 TRP C C 13 175.0 0.1 . . . . . . . . . . 4831 1 249 . 1 1 63 63 TRP CA C 13 59.0 0.1 . . . . . . . . . . 4831 1 250 . 1 1 63 63 TRP N N 15 114.34 0.05 . . . . . . . . . . 4831 1 251 . 1 1 63 63 TRP NE1 N 15 127.74 0.05 . . . . . . . . . . 4831 1 252 . 1 1 64 64 CYS C C 13 172.1 0.1 . . . . . . . . . . 4831 1 253 . 1 1 64 64 CYS CA C 13 53.1 0.1 . . . . . . . . . . 4831 1 254 . 1 1 64 64 CYS CB C 13 46.0 0.1 . . . . . . . . . . 4831 1 255 . 1 1 64 64 CYS N N 15 111.72 0.05 . . . . . . . . . . 4831 1 256 . 1 1 65 65 ASN C C 13 176.6 0.1 . . . . . . . . . . 4831 1 257 . 1 1 65 65 ASN CA C 13 51.5 0.1 . . . . . . . . . . 4831 1 258 . 1 1 65 65 ASN CB C 13 40.7 0.1 . . . . . . . . . . 4831 1 259 . 1 1 65 65 ASN N N 15 117.94 0.05 . . . . . . . . . . 4831 1 260 . 1 1 65 65 ASN ND2 N 15 113.21 0.05 . . . . . . . . . . 4831 1 261 . 1 1 66 66 ASP C C 13 171.9 0.1 . . . . . . . . . . 4831 1 262 . 1 1 66 66 ASP CA C 13 52.3 0.1 . . . . . . . . . . 4831 1 263 . 1 1 66 66 ASP CB C 13 40.9 0.1 . . . . . . . . . . 4831 1 264 . 1 1 66 66 ASP N N 15 129.88 0.05 . . . . . . . . . . 4831 1 265 . 1 1 67 67 GLY C C 13 174.3 0.1 . . . . . . . . . . 4831 1 266 . 1 1 67 67 GLY CA C 13 46.7 0.1 . . . . . . . . . . 4831 1 267 . 1 1 67 67 GLY N N 15 108.70 0.05 . . . . . . . . . . 4831 1 268 . 1 1 68 68 ARG C C 13 175.2 0.1 . . . . . . . . . . 4831 1 269 . 1 1 68 68 ARG CA C 13 55.3 0.1 . . . . . . . . . . 4831 1 270 . 1 1 68 68 ARG CB C 13 31.7 0.1 . . . . . . . . . . 4831 1 271 . 1 1 68 68 ARG N N 15 117.24 0.05 . . . . . . . . . . 4831 1 272 . 1 1 69 69 THR CA C 13 60.3 0.1 . . . . . . . . . . 4831 1 273 . 1 1 69 69 THR CB C 13 70.2 0.1 . . . . . . . . . . 4831 1 274 . 1 1 69 69 THR N N 15 119.50 0.05 . . . . . . . . . . 4831 1 275 . 1 1 70 70 PRO C C 13 177.4 0.1 . . . . . . . . . . 4831 1 276 . 1 1 70 70 PRO CA C 13 63.5 0.1 . . . . . . . . . . 4831 1 277 . 1 1 70 70 PRO CB C 13 31.7 0.1 . . . . . . . . . . 4831 1 278 . 1 1 71 71 GLY C C 13 174.3 0.1 . . . . . . . . . . 4831 1 279 . 1 1 71 71 GLY CA C 13 46.1 0.1 . . . . . . . . . . 4831 1 280 . 1 1 71 71 GLY N N 15 110.44 0.05 . . . . . . . . . . 4831 1 281 . 1 1 72 72 SER C C 13 176.7 0.1 . . . . . . . . . . 4831 1 282 . 1 1 72 72 SER CA C 13 58.4 0.1 . . . . . . . . . . 4831 1 283 . 1 1 72 72 SER CB C 13 64.1 0.1 . . . . . . . . . . 4831 1 284 . 1 1 72 72 SER N N 15 112.04 0.05 . . . . . . . . . . 4831 1 285 . 1 1 73 73 ARG C C 13 176.4 0.1 . . . . . . . . . . 4831 1 286 . 1 1 73 73 ARG CA C 13 55.9 0.1 . . . . . . . . . . 4831 1 287 . 1 1 73 73 ARG N N 15 124.20 0.05 . . . . . . . . . . 4831 1 288 . 1 1 74 74 ASN C C 13 177.3 0.1 . . . . . . . . . . 4831 1 289 . 1 1 74 74 ASN CA C 13 52.5 0.1 . . . . . . . . . . 4831 1 290 . 1 1 74 74 ASN CB C 13 37.6 0.1 . . . . . . . . . . 4831 1 291 . 1 1 74 74 ASN N N 15 115.28 0.05 . . . . . . . . . . 4831 1 292 . 1 1 74 74 ASN ND2 N 15 105.24 0.05 . . . . . . . . . . 4831 1 293 . 1 1 75 75 LEU C C 13 180.3 0.1 . . . . . . . . . . 4831 1 294 . 1 1 75 75 LEU CA C 13 58.6 0.1 . . . . . . . . . . 4831 1 295 . 1 1 75 75 LEU CB C 13 41.9 0.1 . . . . . . . . . . 4831 1 296 . 1 1 75 75 LEU N N 15 118.40 0.05 . . . . . . . . . . 4831 1 297 . 1 1 76 76 CYS C C 13 173.2 0.1 . . . . . . . . . . 4831 1 298 . 1 1 76 76 CYS CA C 13 56.1 0.1 . . . . . . . . . . 4831 1 299 . 1 1 76 76 CYS CB C 13 40.0 0.1 . . . . . . . . . . 4831 1 300 . 1 1 76 76 CYS N N 15 113.14 0.05 . . . . . . . . . . 4831 1 301 . 1 1 77 77 ASN C C 13 173.5 0.1 . . . . . . . . . . 4831 1 302 . 1 1 77 77 ASN CA C 13 53.7 0.1 . . . . . . . . . . 4831 1 303 . 1 1 77 77 ASN CB C 13 37.0 0.1 . . . . . . . . . . 4831 1 304 . 1 1 77 77 ASN N N 15 120.28 0.05 . . . . . . . . . . 4831 1 305 . 1 1 77 77 ASN ND2 N 15 111.59 0.05 . . . . . . . . . . 4831 1 306 . 1 1 78 78 ILE CA C 13 56.9 0.1 . . . . . . . . . . 4831 1 307 . 1 1 78 78 ILE CB C 13 42.9 0.1 . . . . . . . . . . 4831 1 308 . 1 1 78 78 ILE N N 15 116.90 0.05 . . . . . . . . . . 4831 1 309 . 1 1 79 79 PRO C C 13 179.3 0.1 . . . . . . . . . . 4831 1 310 . 1 1 79 79 PRO CA C 13 61.3 0.1 . . . . . . . . . . 4831 1 311 . 1 1 79 79 PRO CB C 13 31.3 0.1 . . . . . . . . . . 4831 1 312 . 1 1 80 80 CYS C C 13 176.5 0.1 . . . . . . . . . . 4831 1 313 . 1 1 80 80 CYS CA C 13 57.0 0.1 . . . . . . . . . . 4831 1 314 . 1 1 80 80 CYS CB C 13 37.8 0.1 . . . . . . . . . . 4831 1 315 . 1 1 80 80 CYS N N 15 123.08 0.05 . . . . . . . . . . 4831 1 316 . 1 1 81 81 SER C C 13 177.3 0.1 . . . . . . . . . . 4831 1 317 . 1 1 81 81 SER CA C 13 61.1 0.1 . . . . . . . . . . 4831 1 318 . 1 1 81 81 SER CB C 13 64 0.1 . . . . . . . . . . 4831 1 319 . 1 1 81 81 SER N N 15 112.96 0.05 . . . . . . . . . . 4831 1 320 . 1 1 82 82 ALA C C 13 179.2 0.1 . . . . . . . . . . 4831 1 321 . 1 1 82 82 ALA CA C 13 54.2 0.1 . . . . . . . . . . 4831 1 322 . 1 1 82 82 ALA CB C 13 18.3 0.1 . . . . . . . . . . 4831 1 323 . 1 1 82 82 ALA N N 15 125.10 0.05 . . . . . . . . . . 4831 1 324 . 1 1 83 83 LEU C C 13 176.3 0.1 . . . . . . . . . . 4831 1 325 . 1 1 83 83 LEU CA C 13 54.5 0.1 . . . . . . . . . . 4831 1 326 . 1 1 83 83 LEU CB C 13 40.3 0.1 . . . . . . . . . . 4831 1 327 . 1 1 83 83 LEU N N 15 114.74 0.05 . . . . . . . . . . 4831 1 328 . 1 1 84 84 LEU C C 13 176.4 0.1 . . . . . . . . . . 4831 1 329 . 1 1 84 84 LEU CA C 13 53.3 0.1 . . . . . . . . . . 4831 1 330 . 1 1 84 84 LEU CB C 13 41.4 0.1 . . . . . . . . . . 4831 1 331 . 1 1 84 84 LEU N N 15 118.04 0.05 . . . . . . . . . . 4831 1 332 . 1 1 85 85 SER C C 13 174.0 0.1 . . . . . . . . . . 4831 1 333 . 1 1 85 85 SER CA C 13 57.3 0.1 . . . . . . . . . . 4831 1 334 . 1 1 85 85 SER CB C 13 64.4 0.1 . . . . . . . . . . 4831 1 335 . 1 1 85 85 SER N N 15 112.94 0.05 . . . . . . . . . . 4831 1 336 . 1 1 86 86 SER C C 13 173.7 0.1 . . . . . . . . . . 4831 1 337 . 1 1 86 86 SER CA C 13 60.9 0.1 . . . . . . . . . . 4831 1 338 . 1 1 86 86 SER CB C 13 63.4 0.1 . . . . . . . . . . 4831 1 339 . 1 1 86 86 SER N N 15 118.36 0.05 . . . . . . . . . . 4831 1 340 . 1 1 87 87 ASP C C 13 177.8 0.1 . . . . . . . . . . 4831 1 341 . 1 1 87 87 ASP CA C 13 52.8 0.1 . . . . . . . . . . 4831 1 342 . 1 1 87 87 ASP CB C 13 41.7 0.1 . . . . . . . . . . 4831 1 343 . 1 1 87 87 ASP N N 15 120.12 0.05 . . . . . . . . . . 4831 1 344 . 1 1 88 88 ILE C C 13 175.8 0.1 . . . . . . . . . . 4831 1 345 . 1 1 88 88 ILE CA C 13 62.2 0.1 . . . . . . . . . . 4831 1 346 . 1 1 88 88 ILE CB C 13 38.6 0.1 . . . . . . . . . . 4831 1 347 . 1 1 88 88 ILE N N 15 118.28 0.05 . . . . . . . . . . 4831 1 348 . 1 1 89 89 THR C C 13 175.2 0.1 . . . . . . . . . . 4831 1 349 . 1 1 89 89 THR CA C 13 69.0 0.1 . . . . . . . . . . 4831 1 350 . 1 1 89 89 THR CB C 13 68.3 0.1 . . . . . . . . . . 4831 1 351 . 1 1 89 89 THR N N 15 119.92 0.05 . . . . . . . . . . 4831 1 352 . 1 1 90 90 ALA C C 13 180.9 0.1 . . . . . . . . . . 4831 1 353 . 1 1 90 90 ALA CA C 13 56.0 0.1 . . . . . . . . . . 4831 1 354 . 1 1 90 90 ALA CB C 13 17.8 0.1 . . . . . . . . . . 4831 1 355 . 1 1 90 90 ALA N N 15 121.86 0.05 . . . . . . . . . . 4831 1 356 . 1 1 91 91 SER C C 13 175.3 0.1 . . . . . . . . . . 4831 1 357 . 1 1 91 91 SER CA C 13 63.7 0.1 . . . . . . . . . . 4831 1 358 . 1 1 91 91 SER CB C 13 63.2 0.1 . . . . . . . . . . 4831 1 359 . 1 1 91 91 SER N N 15 115.08 0.05 . . . . . . . . . . 4831 1 360 . 1 1 92 92 VAL C C 13 176.7 0.1 . . . . . . . . . . 4831 1 361 . 1 1 92 92 VAL CA C 13 67.0 0.1 . . . . . . . . . . 4831 1 362 . 1 1 92 92 VAL CB C 13 30.4 0.1 . . . . . . . . . . 4831 1 363 . 1 1 92 92 VAL N N 15 120.60 0.05 . . . . . . . . . . 4831 1 364 . 1 1 93 93 ASN C C 13 178.6 0.1 . . . . . . . . . . 4831 1 365 . 1 1 93 93 ASN CA C 13 56.1 0.1 . . . . . . . . . . 4831 1 366 . 1 1 93 93 ASN CB C 13 36.9 0.1 . . . . . . . . . . 4831 1 367 . 1 1 93 93 ASN N N 15 118.38 0.05 . . . . . . . . . . 4831 1 368 . 1 1 93 93 ASN ND2 N 15 111.26 0.05 . . . . . . . . . . 4831 1 369 . 1 1 94 94 CYS C C 13 175.4 0.1 . . . . . . . . . . 4831 1 370 . 1 1 94 94 CYS CA C 13 55.9 0.1 . . . . . . . . . . 4831 1 371 . 1 1 94 94 CYS CB C 13 34.5 0.1 . . . . . . . . . . 4831 1 372 . 1 1 94 94 CYS N N 15 117.34 0.05 . . . . . . . . . . 4831 1 373 . 1 1 95 95 ALA C C 13 179.0 0.1 . . . . . . . . . . 4831 1 374 . 1 1 95 95 ALA CA C 13 55.8 0.1 . . . . . . . . . . 4831 1 375 . 1 1 95 95 ALA CB C 13 18.5 0.1 . . . . . . . . . . 4831 1 376 . 1 1 95 95 ALA N N 15 122.90 0.05 . . . . . . . . . . 4831 1 377 . 1 1 96 96 LYS C C 13 178.8 0.1 . . . . . . . . . . 4831 1 378 . 1 1 96 96 LYS CA C 13 60.4 0.1 . . . . . . . . . . 4831 1 379 . 1 1 96 96 LYS CB C 13 32.8 0.1 . . . . . . . . . . 4831 1 380 . 1 1 96 96 LYS N N 15 114.98 0.05 . . . . . . . . . . 4831 1 381 . 1 1 97 97 LYS C C 13 178.7 0.1 . . . . . . . . . . 4831 1 382 . 1 1 97 97 LYS CA C 13 59.5 0.1 . . . . . . . . . . 4831 1 383 . 1 1 97 97 LYS CB C 13 31.9 0.1 . . . . . . . . . . 4831 1 384 . 1 1 97 97 LYS N N 15 120.98 0.05 . . . . . . . . . . 4831 1 385 . 1 1 98 98 ILE C C 13 179.4 0.1 . . . . . . . . . . 4831 1 386 . 1 1 98 98 ILE CA C 13 65.5 0.1 . . . . . . . . . . 4831 1 387 . 1 1 98 98 ILE CB C 13 37.4 0.1 . . . . . . . . . . 4831 1 388 . 1 1 98 98 ILE N N 15 121.12 0.05 . . . . . . . . . . 4831 1 389 . 1 1 99 99 VAL C C 13 176.2 0.1 . . . . . . . . . . 4831 1 390 . 1 1 99 99 VAL CA C 13 63.9 0.1 . . . . . . . . . . 4831 1 391 . 1 1 99 99 VAL CB C 13 32.2 0.1 . . . . . . . . . . 4831 1 392 . 1 1 99 99 VAL N N 15 116.14 0.05 . . . . . . . . . . 4831 1 393 . 1 1 100 100 SER C C 13 174.6 0.1 . . . . . . . . . . 4831 1 394 . 1 1 100 100 SER CA C 13 60.4 0.1 . . . . . . . . . . 4831 1 395 . 1 1 100 100 SER CB C 13 63.8 0.1 . . . . . . . . . . 4831 1 396 . 1 1 100 100 SER N N 15 115.38 0.05 . . . . . . . . . . 4831 1 397 . 1 1 101 101 ASP C C 13 176.5 0.1 . . . . . . . . . . 4831 1 398 . 1 1 101 101 ASP CA C 13 54.5 0.1 . . . . . . . . . . 4831 1 399 . 1 1 101 101 ASP CB C 13 40.6 0.1 . . . . . . . . . . 4831 1 400 . 1 1 101 101 ASP N N 15 119.98 0.05 . . . . . . . . . . 4831 1 401 . 1 1 102 102 GLY C C 13 174.6 0.1 . . . . . . . . . . 4831 1 402 . 1 1 102 102 GLY CA C 13 46.2 0.1 . . . . . . . . . . 4831 1 403 . 1 1 102 102 GLY N N 15 107.36 0.05 . . . . . . . . . . 4831 1 404 . 1 1 103 103 ASN C C 13 176.3 0.1 . . . . . . . . . . 4831 1 405 . 1 1 103 103 ASN CA C 13 52.8 0.1 . . . . . . . . . . 4831 1 406 . 1 1 103 103 ASN CB C 13 38.7 0.1 . . . . . . . . . . 4831 1 407 . 1 1 103 103 ASN N N 15 117.94 0.05 . . . . . . . . . . 4831 1 408 . 1 1 103 103 ASN ND2 N 15 112.48 0.05 . . . . . . . . . . 4831 1 409 . 1 1 104 104 GLY C C 13 175.0 0.1 . . . . . . . . . . 4831 1 410 . 1 1 104 104 GLY CA C 13 46.9 0.1 . . . . . . . . . . 4831 1 411 . 1 1 104 104 GLY N N 15 107.62 0.05 . . . . . . . . . . 4831 1 412 . 1 1 105 105 MET C C 13 175.1 0.1 . . . . . . . . . . 4831 1 413 . 1 1 105 105 MET CA C 13 57.8 0.1 . . . . . . . . . . 4831 1 414 . 1 1 105 105 MET CB C 13 39.6 0.1 . . . . . . . . . . 4831 1 415 . 1 1 105 105 MET N N 15 119.22 0.05 . . . . . . . . . . 4831 1 416 . 1 1 106 106 ASN C C 13 174.4 0.1 . . . . . . . . . . 4831 1 417 . 1 1 106 106 ASN CA C 13 56.1 0.1 . . . . . . . . . . 4831 1 418 . 1 1 106 106 ASN CB C 13 38.7 0.1 . . . . . . . . . . 4831 1 419 . 1 1 106 106 ASN N N 15 114.68 0.05 . . . . . . . . . . 4831 1 420 . 1 1 106 106 ASN ND2 N 15 113.81 0.05 . . . . . . . . . . 4831 1 421 . 1 1 107 107 ALA C C 13 177.6 0.1 . . . . . . . . . . 4831 1 422 . 1 1 107 107 ALA CA C 13 53.9 0.1 . . . . . . . . . . 4831 1 423 . 1 1 107 107 ALA CB C 13 18.5 0.1 . . . . . . . . . . 4831 1 424 . 1 1 107 107 ALA N N 15 118.66 0.05 . . . . . . . . . . 4831 1 425 . 1 1 108 108 TRP C C 13 176.5 0.1 . . . . . . . . . . 4831 1 426 . 1 1 108 108 TRP CA C 13 60.2 0.1 . . . . . . . . . . 4831 1 427 . 1 1 108 108 TRP CB C 13 28.1 0.1 . . . . . . . . . . 4831 1 428 . 1 1 108 108 TRP N N 15 117.98 0.05 . . . . . . . . . . 4831 1 429 . 1 1 108 108 TRP NE1 N 15 129.67 0.05 . . . . . . . . . . 4831 1 430 . 1 1 109 109 VAL C C 13 176.4 0.1 . . . . . . . . . . 4831 1 431 . 1 1 109 109 VAL CA C 13 66.6 0.1 . . . . . . . . . . 4831 1 432 . 1 1 109 109 VAL CB C 13 31.2 0.1 . . . . . . . . . . 4831 1 433 . 1 1 109 109 VAL N N 15 128.44 0.05 . . . . . . . . . . 4831 1 434 . 1 1 110 110 ALA C C 13 180.7 0.1 . . . . . . . . . . 4831 1 435 . 1 1 110 110 ALA CA C 13 55.1 0.1 . . . . . . . . . . 4831 1 436 . 1 1 110 110 ALA CB C 13 19.0 0.1 . . . . . . . . . . 4831 1 437 . 1 1 110 110 ALA N N 15 118.50 0.05 . . . . . . . . . . 4831 1 438 . 1 1 111 111 TRP C C 13 178.5 0.1 . . . . . . . . . . 4831 1 439 . 1 1 111 111 TRP CA C 13 61.9 0.1 . . . . . . . . . . 4831 1 440 . 1 1 111 111 TRP CB C 13 28.3 0.1 . . . . . . . . . . 4831 1 441 . 1 1 111 111 TRP N N 15 114.70 0.05 . . . . . . . . . . 4831 1 442 . 1 1 111 111 TRP NE1 N 15 129.68 0.05 . . . . . . . . . . 4831 1 443 . 1 1 112 112 ARG C C 13 177.1 0.1 . . . . . . . . . . 4831 1 444 . 1 1 112 112 ARG CA C 13 60.1 0.1 . . . . . . . . . . 4831 1 445 . 1 1 112 112 ARG CB C 13 30.6 0.1 . . . . . . . . . . 4831 1 446 . 1 1 112 112 ARG N N 15 121.30 0.05 . . . . . . . . . . 4831 1 447 . 1 1 113 113 ASN C C 13 177.0 0.1 . . . . . . . . . . 4831 1 448 . 1 1 113 113 ASN CA C 13 54.7 0.1 . . . . . . . . . . 4831 1 449 . 1 1 113 113 ASN CB C 13 39.0 0.1 . . . . . . . . . . 4831 1 450 . 1 1 113 113 ASN N N 15 112.64 0.05 . . . . . . . . . . 4831 1 451 . 1 1 113 113 ASN ND2 N 15 114.62 0.05 . . . . . . . . . . 4831 1 452 . 1 1 114 114 ARG C C 13 175.7 0.1 . . . . . . . . . . 4831 1 453 . 1 1 114 114 ARG CA C 13 54.8 0.1 . . . . . . . . . . 4831 1 454 . 1 1 114 114 ARG CB C 13 31.4 0.1 . . . . . . . . . . 4831 1 455 . 1 1 114 114 ARG N N 15 113.90 0.05 . . . . . . . . . . 4831 1 456 . 1 1 115 115 CYS C C 13 175.3 0.1 . . . . . . . . . . 4831 1 457 . 1 1 115 115 CYS CA C 13 54.9 0.1 . . . . . . . . . . 4831 1 458 . 1 1 115 115 CYS CB C 13 45.5 0.1 . . . . . . . . . . 4831 1 459 . 1 1 115 115 CYS N N 15 113.34 0.05 . . . . . . . . . . 4831 1 460 . 1 1 116 116 LYS C C 13 176.9 0.1 . . . . . . . . . . 4831 1 461 . 1 1 116 116 LYS CA C 13 58.3 0.1 . . . . . . . . . . 4831 1 462 . 1 1 116 116 LYS CB C 13 31.5 0.1 . . . . . . . . . . 4831 1 463 . 1 1 116 116 LYS N N 15 123.84 0.05 . . . . . . . . . . 4831 1 464 . 1 1 117 117 GLY C C 13 174.4 0.1 . . . . . . . . . . 4831 1 465 . 1 1 117 117 GLY CA C 13 45.9 0.1 . . . . . . . . . . 4831 1 466 . 1 1 117 117 GLY N N 15 114.32 0.05 . . . . . . . . . . 4831 1 467 . 1 1 118 118 THR C C 13 174.7 0.1 . . . . . . . . . . 4831 1 468 . 1 1 118 118 THR CA C 13 60.4 0.1 . . . . . . . . . . 4831 1 469 . 1 1 118 118 THR CB C 13 72.3 0.1 . . . . . . . . . . 4831 1 470 . 1 1 118 118 THR N N 15 109.92 0.05 . . . . . . . . . . 4831 1 471 . 1 1 119 119 ASP C C 13 178.1 0.1 . . . . . . . . . . 4831 1 472 . 1 1 119 119 ASP CA C 13 52.8 0.1 . . . . . . . . . . 4831 1 473 . 1 1 119 119 ASP N N 15 117.88 0.05 . . . . . . . . . . 4831 1 474 . 1 1 120 120 VAL C C 13 177.8 0.1 . . . . . . . . . . 4831 1 475 . 1 1 120 120 VAL CA C 13 64.4 0.1 . . . . . . . . . . 4831 1 476 . 1 1 120 120 VAL CB C 13 31.5 0.1 . . . . . . . . . . 4831 1 477 . 1 1 120 120 VAL N N 15 120.32 0.05 . . . . . . . . . . 4831 1 478 . 1 1 121 121 GLN C C 13 178.6 0.1 . . . . . . . . . . 4831 1 479 . 1 1 121 121 GLN CA C 13 58.0 0.1 . . . . . . . . . . 4831 1 480 . 1 1 121 121 GLN CB C 13 27.9 0.1 . . . . . . . . . . 4831 1 481 . 1 1 121 121 GLN N N 15 121.00 0.05 . . . . . . . . . . 4831 1 482 . 1 1 122 122 ALA C C 13 179.8 0.1 . . . . . . . . . . 4831 1 483 . 1 1 122 122 ALA CA C 13 55.1 0.1 . . . . . . . . . . 4831 1 484 . 1 1 122 122 ALA CB C 13 18.5 0.1 . . . . . . . . . . 4831 1 485 . 1 1 122 122 ALA N N 15 121.82 0.05 . . . . . . . . . . 4831 1 486 . 1 1 123 123 TRP C C 13 177.5 0.1 . . . . . . . . . . 4831 1 487 . 1 1 123 123 TRP CA C 13 60.1 0.1 . . . . . . . . . . 4831 1 488 . 1 1 123 123 TRP CB C 13 28.6 0.1 . . . . . . . . . . 4831 1 489 . 1 1 123 123 TRP N N 15 114.20 0.05 . . . . . . . . . . 4831 1 490 . 1 1 123 123 TRP NE1 N 15 129.53 0.05 . . . . . . . . . . 4831 1 491 . 1 1 124 124 ILE C C 13 175.9 0.1 . . . . . . . . . . 4831 1 492 . 1 1 124 124 ILE CA C 13 59.9 0.1 . . . . . . . . . . 4831 1 493 . 1 1 124 124 ILE CB C 13 38.5 0.1 . . . . . . . . . . 4831 1 494 . 1 1 124 124 ILE N N 15 108.60 0.05 . . . . . . . . . . 4831 1 495 . 1 1 125 125 ARG C C 13 177.5 0.1 . . . . . . . . . . 4831 1 496 . 1 1 125 125 ARG CA C 13 58.4 0.1 . . . . . . . . . . 4831 1 497 . 1 1 125 125 ARG CB C 13 30.1 0.1 . . . . . . . . . . 4831 1 498 . 1 1 125 125 ARG N N 15 125.34 0.05 . . . . . . . . . . 4831 1 499 . 1 1 126 126 GLY C C 13 174.5 0.1 . . . . . . . . . . 4831 1 500 . 1 1 126 126 GLY CA C 13 45.6 0.1 . . . . . . . . . . 4831 1 501 . 1 1 126 126 GLY N N 15 113.54 0.05 . . . . . . . . . . 4831 1 502 . 1 1 127 127 CYS C C 13 174.6 0.1 . . . . . . . . . . 4831 1 503 . 1 1 127 127 CYS CA C 13 55.6 0.1 . . . . . . . . . . 4831 1 504 . 1 1 127 127 CYS CB C 13 34.7 0.1 . . . . . . . . . . 4831 1 505 . 1 1 127 127 CYS N N 15 116.16 0.05 . . . . . . . . . . 4831 1 506 . 1 1 128 128 ARG CA C 13 56.4 0.1 . . . . . . . . . . 4831 1 507 . 1 1 128 128 ARG CB C 13 28.7 0.1 . . . . . . . . . . 4831 1 508 . 1 1 128 128 ARG N N 15 125.40 0.05 . . . . . . . . . . 4831 1 509 . 1 1 129 129 LEU CA C 13 55.6 0.1 . . . . . . . . . . 4831 1 510 . 1 1 129 129 LEU CB C 13 43.9 0.1 . . . . . . . . . . 4831 1 511 . 1 1 129 129 LEU N N 15 129.94 0.05 . . . . . . . . . . 4831 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_residual_dipolar_couplings_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_1 _RDC_list.Entry_ID 4831 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $ex-cond_1 _RDC_list.Spectrometer_frequency_1H . _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 2 $sample_2 . 4831 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 2 2 VAL H . . . . 1 1 2 2 VAL N . . . -16.4 . . . . . . . . . . . . . . 4831 1 2 1DHN . 1 1 3 3 PHE H . . . . 1 1 3 3 PHE N . . . 2.5 . . . . . . . . . . . . . . 4831 1 3 1DHN . 1 1 4 4 GLY H . . . . 1 1 4 4 GLY N . . . -9.7 . . . . . . . . . . . . . . 4831 1 4 1DHN . 1 1 6 6 CYS H . . . . 1 1 6 6 CYS N . . . -18.0 . . . . . . . . . . . . . . 4831 1 5 1DHN . 1 1 7 7 GLU H . . . . 1 1 7 7 GLU N . . . -18.4 . . . . . . . . . . . . . . 4831 1 6 1DHN . 1 1 8 8 LEU H . . . . 1 1 8 8 LEU N . . . -16.7 . . . . . . . . . . . . . . 4831 1 7 1DHN . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA N . . . -16.3 . . . . . . . . . . . . . . 4831 1 8 1DHN . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA N . . . -22.3 . . . . . . . . . . . . . . 4831 1 9 1DHN . 1 1 12 12 MET H . . . . 1 1 12 12 MET N . . . -14.9 . . . . . . . . . . . . . . 4831 1 10 1DHN . 1 1 14 14 ARG H . . . . 1 1 14 14 ARG N . . . -23.0 . . . . . . . . . . . . . . 4831 1 11 1DHN . 1 1 15 15 HIS H . . . . 1 1 15 15 HIS N . . . -19.0 . . . . . . . . . . . . . . 4831 1 12 1DHN . 1 1 16 16 GLY H . . . . 1 1 16 16 GLY N . . . 9.9 . . . . . . . . . . . . . . 4831 1 13 1DHN . 1 1 17 17 LEU H . . . . 1 1 17 17 LEU N . . . -20.1 . . . . . . . . . . . . . . 4831 1 14 1DHN . 1 1 18 18 ASP H . . . . 1 1 18 18 ASP N . . . -9.6 . . . . . . . . . . . . . . 4831 1 15 1DHN . 1 1 19 19 ASN H . . . . 1 1 19 19 ASN N . . . -10.2 . . . . . . . . . . . . . . 4831 1 16 1DHN . 1 1 20 20 TYR H . . . . 1 1 20 20 TYR N . . . -22.3 . . . . . . . . . . . . . . 4831 1 17 1DHN . 1 1 21 21 ARG H . . . . 1 1 21 21 ARG N . . . -9.0 . . . . . . . . . . . . . . 4831 1 18 1DHN . 1 1 22 22 GLY H . . . . 1 1 22 22 GLY N . . . -6.1 . . . . . . . . . . . . . . 4831 1 19 1DHN . 1 1 23 23 TYR H . . . . 1 1 23 23 TYR N . . . 6.3 . . . . . . . . . . . . . . 4831 1 20 1DHN . 1 1 25 25 LEU H . . . . 1 1 25 25 LEU N . . . 9.312 . . . . . . . . . . . . . . 4831 1 21 1DHN . 1 1 26 26 GLY H . . . . 1 1 26 26 GLY N . . . 16.1 . . . . . . . . . . . . . . 4831 1 22 1DHN . 1 1 27 27 ASN H . . . . 1 1 27 27 ASN N . . . -8.1 . . . . . . . . . . . . . . 4831 1 23 1DHN . 1 1 28 28 TRP H . . . . 1 1 28 28 TRP N . . . 14.3 . . . . . . . . . . . . . . 4831 1 24 1DHN . 1 1 29 29 VAL H . . . . 1 1 29 29 VAL N . . . 15.1 . . . . . . . . . . . . . . 4831 1 25 1DHN . 1 1 30 30 CYS H . . . . 1 1 30 30 CYS N . . . -1.7 . . . . . . . . . . . . . . 4831 1 26 1DHN . 1 1 31 31 ALA H . . . . 1 1 31 31 ALA N . . . -5.4 . . . . . . . . . . . . . . 4831 1 27 1DHN . 1 1 32 32 ALA H . . . . 1 1 32 32 ALA N . . . 13.1 . . . . . . . . . . . . . . 4831 1 28 1DHN . 1 1 33 33 LYS H . . . . 1 1 33 33 LYS N . . . 7.6 . . . . . . . . . . . . . . 4831 1 29 1DHN . 1 1 34 34 PHE H . . . . 1 1 34 34 PHE N . . . -5.5 . . . . . . . . . . . . . . 4831 1 30 1DHN . 1 1 35 35 GLU H . . . . 1 1 35 35 GLU N . . . 9.5 . . . . . . . . . . . . . . 4831 1 31 1DHN . 1 1 36 36 SER H . . . . 1 1 36 36 SER N . . . 18.8 . . . . . . . . . . . . . . 4831 1 32 1DHN . 1 1 37 37 ASN H . . . . 1 1 37 37 ASN N . . . -14.8 . . . . . . . . . . . . . . 4831 1 33 1DHN . 1 1 38 38 PHE H . . . . 1 1 38 38 PHE N . . . -14.9 . . . . . . . . . . . . . . 4831 1 34 1DHN . 1 1 39 39 ASN H . . . . 1 1 39 39 ASN N . . . -7.7 . . . . . . . . . . . . . . 4831 1 35 1DHN . 1 1 40 40 THR H . . . . 1 1 40 40 THR N . . . -0.8 . . . . . . . . . . . . . . 4831 1 36 1DHN . 1 1 41 41 GLU H . . . . 1 1 41 41 GLU N . . . 2.6 . . . . . . . . . . . . . . 4831 1 37 1DHN . 1 1 42 42 ALA H . . . . 1 1 42 42 ALA N . . . 24.7 . . . . . . . . . . . . . . 4831 1 38 1DHN . 1 1 43 43 THR H . . . . 1 1 43 43 THR N . . . -23.0 . . . . . . . . . . . . . . 4831 1 39 1DHN . 1 1 44 44 ASN H . . . . 1 1 44 44 ASN N . . . -21.1 . . . . . . . . . . . . . . 4831 1 40 1DHN . 1 1 45 45 ARG H . . . . 1 1 45 45 ARG N . . . -22.0 . . . . . . . . . . . . . . 4831 1 41 1DHN . 1 1 46 46 ASN H . . . . 1 1 46 46 ASN N . . . -9.0 . . . . . . . . . . . . . . 4831 1 42 1DHN . 1 1 49 49 GLY H . . . . 1 1 49 49 GLY N . . . -4.3 . . . . . . . . . . . . . . 4831 1 43 1DHN . 1 1 50 50 SER H . . . . 1 1 50 50 SER N . . . -8.8 . . . . . . . . . . . . . . 4831 1 44 1DHN . 1 1 51 51 THR H . . . . 1 1 51 51 THR N . . . -17.6 . . . . . . . . . . . . . . 4831 1 45 1DHN . 1 1 52 52 ASP H . . . . 1 1 52 52 ASP N . . . -20.0 . . . . . . . . . . . . . . 4831 1 46 1DHN . 1 1 54 54 GLY H . . . . 1 1 54 54 GLY N . . . -10.6 . . . . . . . . . . . . . . 4831 1 47 1DHN . 1 1 55 55 ILE H . . . . 1 1 55 55 ILE N . . . -10.8 . . . . . . . . . . . . . . 4831 1 48 1DHN . 1 1 56 56 LEU H . . . . 1 1 56 56 LEU N . . . 4.6 . . . . . . . . . . . . . . 4831 1 49 1DHN . 1 1 57 57 GLN H . . . . 1 1 57 57 GLN N . . . -17.6 . . . . . . . . . . . . . . 4831 1 50 1DHN . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE N . . . -13.9 . . . . . . . . . . . . . . 4831 1 51 1DHN . 1 1 59 59 ASN H . . . . 1 1 59 59 ASN N . . . 1.7 . . . . . . . . . . . . . . 4831 1 52 1DHN . 1 1 60 60 SER H . . . . 1 1 60 60 SER N . . . -24.4 . . . . . . . . . . . . . . 4831 1 53 1DHN . 1 1 61 61 ARG H . . . . 1 1 61 61 ARG N . . . 6.3 . . . . . . . . . . . . . . 4831 1 54 1DHN . 1 1 62 62 TRP H . . . . 1 1 62 62 TRP N . . . -4.8 . . . . . . . . . . . . . . 4831 1 55 1DHN . 1 1 63 63 TRP H . . . . 1 1 63 63 TRP N . . . -18.5 . . . . . . . . . . . . . . 4831 1 56 1DHN . 1 1 64 64 CYS H . . . . 1 1 64 64 CYS N . . . -4.4 . . . . . . . . . . . . . . 4831 1 57 1DHN . 1 1 65 65 ASN H . . . . 1 1 65 65 ASN N . . . 2.0 . . . . . . . . . . . . . . 4831 1 58 1DHN . 1 1 66 66 ASP H . . . . 1 1 66 66 ASP N . . . -7.7 . . . . . . . . . . . . . . 4831 1 59 1DHN . 1 1 67 67 GLY H . . . . 1 1 67 67 GLY N . . . -15.9 . . . . . . . . . . . . . . 4831 1 60 1DHN . 1 1 68 68 ARG H . . . . 1 1 68 68 ARG N . . . 29.7 . . . . . . . . . . . . . . 4831 1 61 1DHN . 1 1 69 69 THR H . . . . 1 1 69 69 THR N . . . -6.7 . . . . . . . . . . . . . . 4831 1 62 1DHN . 1 1 72 72 SER H . . . . 1 1 72 72 SER N . . . 0.6 . . . . . . . . . . . . . . 4831 1 63 1DHN . 1 1 73 73 ARG H . . . . 1 1 73 73 ARG N . . . -2.2 . . . . . . . . . . . . . . 4831 1 64 1DHN . 1 1 74 74 ASN H . . . . 1 1 74 74 ASN N . . . -16.0 . . . . . . . . . . . . . . 4831 1 65 1DHN . 1 1 76 76 CYS H . . . . 1 1 76 76 CYS N . . . -7.4 . . . . . . . . . . . . . . 4831 1 66 1DHN . 1 1 77 77 ASN H . . . . 1 1 77 77 ASN N . . . 1.9 . . . . . . . . . . . . . . 4831 1 67 1DHN . 1 1 78 78 ILE H . . . . 1 1 78 78 ILE N . . . -3.3 . . . . . . . . . . . . . . 4831 1 68 1DHN . 1 1 80 80 CYS H . . . . 1 1 80 80 CYS N . . . 27.1 . . . . . . . . . . . . . . 4831 1 69 1DHN . 1 1 81 81 SER H . . . . 1 1 81 81 SER N . . . 24.0 . . . . . . . . . . . . . . 4831 1 70 1DHN . 1 1 82 82 ALA H . . . . 1 1 82 82 ALA N . . . -0.5 . . . . . . . . . . . . . . 4831 1 71 1DHN . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU N . . . 29.1 . . . . . . . . . . . . . . 4831 1 72 1DHN . 1 1 84 84 LEU H . . . . 1 1 84 84 LEU N . . . 14.4 . . . . . . . . . . . . . . 4831 1 73 1DHN . 1 1 85 85 SER H . . . . 1 1 85 85 SER N . . . -14.5 . . . . . . . . . . . . . . 4831 1 74 1DHN . 1 1 87 87 ASP H . . . . 1 1 87 87 ASP N . . . 27.9 . . . . . . . . . . . . . . 4831 1 75 1DHN . 1 1 88 88 ILE H . . . . 1 1 88 88 ILE N . . . 25.0 . . . . . . . . . . . . . . 4831 1 76 1DHN . 1 1 89 89 THR H . . . . 1 1 89 89 THR N . . . -12.7 . . . . . . . . . . . . . . 4831 1 77 1DHN . 1 1 90 90 ALA H . . . . 1 1 90 90 ALA N . . . -18.5 . . . . . . . . . . . . . . 4831 1 78 1DHN . 1 1 91 91 SER H . . . . 1 1 91 91 SER N . . . -13.1 . . . . . . . . . . . . . . 4831 1 79 1DHN . 1 1 92 92 VAL H . . . . 1 1 92 92 VAL N . . . -14.0 . . . . . . . . . . . . . . 4831 1 80 1DHN . 1 1 93 93 ASN H . . . . 1 1 93 93 ASN N . . . -16.0 . . . . . . . . . . . . . . 4831 1 81 1DHN . 1 1 94 94 CYS H . . . . 1 1 94 94 CYS N . . . -20.4 . . . . . . . . . . . . . . 4831 1 82 1DHN . 1 1 95 95 ALA H . . . . 1 1 95 95 ALA N . . . -17.5 . . . . . . . . . . . . . . 4831 1 83 1DHN . 1 1 96 96 LYS H . . . . 1 1 96 96 LYS N . . . -14.0 . . . . . . . . . . . . . . 4831 1 84 1DHN . 1 1 97 97 LYS H . . . . 1 1 97 97 LYS N . . . -17.0 . . . . . . . . . . . . . . 4831 1 85 1DHN . 1 1 99 99 VAL H . . . . 1 1 99 99 VAL N . . . -14.7 . . . . . . . . . . . . . . 4831 1 86 1DHN . 1 1 100 100 SER H . . . . 1 1 100 100 SER N . . . -5.8 . . . . . . . . . . . . . . 4831 1 87 1DHN . 1 1 101 101 ASP H . . . . 1 1 101 101 ASP N . . . -22.9 . . . . . . . . . . . . . . 4831 1 88 1DHN . 1 1 102 102 GLY H . . . . 1 1 102 102 GLY N . . . 4.6 . . . . . . . . . . . . . . 4831 1 89 1DHN . 1 1 104 104 GLY H . . . . 1 1 104 104 GLY N . . . -10.1 . . . . . . . . . . . . . . 4831 1 90 1DHN . 1 1 105 105 MET H . . . . 1 1 105 105 MET N . . . 11.7 . . . . . . . . . . . . . . 4831 1 91 1DHN . 1 1 106 106 ASN H . . . . 1 1 106 106 ASN N . . . -20.5 . . . . . . . . . . . . . . 4831 1 92 1DHN . 1 1 107 107 ALA H . . . . 1 1 107 107 ALA N . . . -1.1 . . . . . . . . . . . . . . 4831 1 93 1DHN . 1 1 108 108 TRP H . . . . 1 1 108 108 TRP N . . . 12.6 . . . . . . . . . . . . . . 4831 1 94 1DHN . 1 1 109 109 VAL H . . . . 1 1 109 109 VAL N . . . 19.0 . . . . . . . . . . . . . . 4831 1 95 1DHN . 1 1 111 111 TRP H . . . . 1 1 111 111 TRP N . . . 15.1 . . . . . . . . . . . . . . 4831 1 96 1DHN . 1 1 112 112 ARG H . . . . 1 1 112 112 ARG N . . . 23.8 . . . . . . . . . . . . . . 4831 1 97 1DHN . 1 1 113 113 ASN H . . . . 1 1 113 113 ASN N . . . 11.5 . . . . . . . . . . . . . . 4831 1 98 1DHN . 1 1 114 114 ARG H . . . . 1 1 114 114 ARG N . . . 3.6 . . . . . . . . . . . . . . 4831 1 99 1DHN . 1 1 115 115 CYS H . . . . 1 1 115 115 CYS N . . . 18.5 . . . . . . . . . . . . . . 4831 1 100 1DHN . 1 1 116 116 LYS H . . . . 1 1 116 116 LYS N . . . 31.5 . . . . . . . . . . . . . . 4831 1 101 1DHN . 1 1 118 118 THR H . . . . 1 1 118 118 THR N . . . 8.4 . . . . . . . . . . . . . . 4831 1 102 1DHN . 1 1 120 120 VAL H . . . . 1 1 120 120 VAL N . . . -19.6 . . . . . . . . . . . . . . 4831 1 103 1DHN . 1 1 123 123 TRP H . . . . 1 1 123 123 TRP N . . . -18.3 . . . . . . . . . . . . . . 4831 1 104 1DHN . 1 1 124 124 ILE H . . . . 1 1 124 124 ILE N . . . -8.9 . . . . . . . . . . . . . . 4831 1 105 1DHN . 1 1 125 125 ARG H . . . . 1 1 125 125 ARG N . . . 2.4 . . . . . . . . . . . . . . 4831 1 106 1DHN . 1 1 127 127 CYS H . . . . 1 1 127 127 CYS N . . . -13.0 . . . . . . . . . . . . . . 4831 1 107 1DHN . 1 1 129 129 LEU H . . . . 1 1 129 129 LEU N . . . 10.8 . . . . . . . . . . . . . . 4831 1 stop_ save_ save_residual_dipolar_couplings_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode residual_dipolar_couplings_2 _RDC_list.Entry_ID 4831 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $ex-cond_1 _RDC_list.Spectrometer_frequency_1H . _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 3 $sample_3 . 4831 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHN . 1 1 2 2 VAL H . . . . 1 1 2 2 VAL N . . . -7.0 . . . . . . . . . . . . . . 4831 2 2 1DHN . 1 1 3 3 PHE H . . . . 1 1 3 3 PHE N . . . 8.0 . . . . . . . . . . . . . . 4831 2 3 1DHN . 1 1 4 4 GLY H . . . . 1 1 4 4 GLY N . . . -13.5 . . . . . . . . . . . . . . 4831 2 4 1DHN . 1 1 6 6 CYS H . . . . 1 1 6 6 CYS N . . . -5.5 . . . . . . . . . . . . . . 4831 2 5 1DHN . 1 1 7 7 GLU H . . . . 1 1 7 7 GLU N . . . -14.5 . . . . . . . . . . . . . . 4831 2 6 1DHN . 1 1 8 8 LEU H . . . . 1 1 8 8 LEU N . . . -14.4 . . . . . . . . . . . . . . 4831 2 7 1DHN . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA N . . . -7.8 . . . . . . . . . . . . . . 4831 2 8 1DHN . 1 1 10 10 ALA H . . . . 1 1 10 10 ALA N . . . -11.8 . . . . . . . . . . . . . . 4831 2 9 1DHN . 1 1 12 12 MET H . . . . 1 1 12 12 MET N . . . -8.4 . . . . . . . . . . . . . . 4831 2 10 1DHN . 1 1 14 14 ARG H . . . . 1 1 14 14 ARG N . . . -14.1 . . . . . . . . . . . . . . 4831 2 11 1DHN . 1 1 15 15 HIS H . . . . 1 1 15 15 HIS N . . . -13.6 . . . . . . . . . . . . . . 4831 2 12 1DHN . 1 1 16 16 GLY H . . . . 1 1 16 16 GLY N . . . 17.5 . . . . . . . . . . . . . . 4831 2 13 1DHN . 1 1 17 17 LEU H . . . . 1 1 17 17 LEU N . . . -7.9 . . . . . . . . . . . . . . 4831 2 14 1DHN . 1 1 18 18 ASP H . . . . 1 1 18 18 ASP N . . . -11.4 . . . . . . . . . . . . . . 4831 2 15 1DHN . 1 1 19 19 ASN H . . . . 1 1 19 19 ASN N . . . -12.7 . . . . . . . . . . . . . . 4831 2 16 1DHN . 1 1 20 20 TYR H . . . . 1 1 20 20 TYR N . . . -13.0 . . . . . . . . . . . . . . 4831 2 17 1DHN . 1 1 21 21 ARG H . . . . 1 1 21 21 ARG N . . . -14.1 . . . . . . . . . . . . . . 4831 2 18 1DHN . 1 1 22 22 GLY H . . . . 1 1 22 22 GLY N . . . -9.1 . . . . . . . . . . . . . . 4831 2 19 1DHN . 1 1 23 23 TYR H . . . . 1 1 23 23 TYR N . . . 2.7 . . . . . . . . . . . . . . 4831 2 20 1DHN . 1 1 25 25 LEU H . . . . 1 1 25 25 LEU N . . . 1.5 . . . . . . . . . . . . . . 4831 2 21 1DHN . 1 1 26 26 GLY H . . . . 1 1 26 26 GLY N . . . 8.6 . . . . . . . . . . . . . . 4831 2 22 1DHN . 1 1 27 27 ASN H . . . . 1 1 27 27 ASN N . . . -11.8 . . . . . . . . . . . . . . 4831 2 23 1DHN . 1 1 28 28 TRP H . . . . 1 1 28 28 TRP N . . . 7.6 . . . . . . . . . . . . . . 4831 2 24 1DHN . 1 1 29 29 VAL H . . . . 1 1 29 29 VAL N . . . 6.8 . . . . . . . . . . . . . . 4831 2 25 1DHN . 1 1 30 30 CYS H . . . . 1 1 30 30 CYS N . . . -4.3 . . . . . . . . . . . . . . 4831 2 26 1DHN . 1 1 31 31 ALA H . . . . 1 1 31 31 ALA N . . . -7.9 . . . . . . . . . . . . . . 4831 2 27 1DHN . 1 1 32 32 ALA H . . . . 1 1 32 32 ALA N . . . 4.4 . . . . . . . . . . . . . . 4831 2 28 1DHN . 1 1 33 33 LYS H . . . . 1 1 33 33 LYS N . . . 1.1 . . . . . . . . . . . . . . 4831 2 29 1DHN . 1 1 34 34 PHE H . . . . 1 1 34 34 PHE N . . . -8.1 . . . . . . . . . . . . . . 4831 2 30 1DHN . 1 1 35 35 GLU H . . . . 1 1 35 35 GLU N . . . 1.2 . . . . . . . . . . . . . . 4831 2 31 1DHN . 1 1 36 36 SER H . . . . 1 1 36 36 SER N . . . 9.5 . . . . . . . . . . . . . . 4831 2 32 1DHN . 1 1 37 37 ASN H . . . . 1 1 37 37 ASN N . . . -11.6 . . . . . . . . . . . . . . 4831 2 33 1DHN . 1 1 38 38 PHE H . . . . 1 1 38 38 PHE N . . . -2.7 . . . . . . . . . . . . . . 4831 2 34 1DHN . 1 1 39 39 ASN H . . . . 1 1 39 39 ASN N . . . -8.0 . . . . . . . . . . . . . . 4831 2 35 1DHN . 1 1 40 40 THR H . . . . 1 1 40 40 THR N . . . 7.3 . . . . . . . . . . . . . . 4831 2 36 1DHN . 1 1 41 41 GLU H . . . . 1 1 41 41 GLU N . . . 10.1 . . . . . . . . . . . . . . 4831 2 37 1DHN . 1 1 42 42 ALA H . . . . 1 1 42 42 ALA N . . . 15.6 . . . . . . . . . . . . . . 4831 2 38 1DHN . 1 1 43 43 THR H . . . . 1 1 43 43 THR N . . . -15.9 . . . . . . . . . . . . . . 4831 2 39 1DHN . 1 1 44 44 ASN H . . . . 1 1 44 44 ASN N . . . -14.8 . . . . . . . . . . . . . . 4831 2 40 1DHN . 1 1 46 46 ASN H . . . . 1 1 46 46 ASN N . . . -9.8 . . . . . . . . . . . . . . 4831 2 41 1DHN . 1 1 49 49 GLY H . . . . 1 1 49 49 GLY N . . . 1.7 . . . . . . . . . . . . . . 4831 2 42 1DHN . 1 1 50 50 SER H . . . . 1 1 50 50 SER N . . . -11.2 . . . . . . . . . . . . . . 4831 2 43 1DHN . 1 1 51 51 THR H . . . . 1 1 51 51 THR N . . . -14.9 . . . . . . . . . . . . . . 4831 2 44 1DHN . 1 1 52 52 ASP H . . . . 1 1 52 52 ASP N . . . -17.1 . . . . . . . . . . . . . . 4831 2 45 1DHN . 1 1 54 54 GLY H . . . . 1 1 54 54 GLY N . . . -11.5 . . . . . . . . . . . . . . 4831 2 46 1DHN . 1 1 55 55 ILE H . . . . 1 1 55 55 ILE N . . . -13.9 . . . . . . . . . . . . . . 4831 2 47 1DHN . 1 1 56 56 LEU H . . . . 1 1 56 56 LEU N . . . -0.4 . . . . . . . . . . . . . . 4831 2 48 1DHN . 1 1 57 57 GLN H . . . . 1 1 57 57 GLN N . . . -6.4 . . . . . . . . . . . . . . 4831 2 49 1DHN . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE N . . . -7.5 . . . . . . . . . . . . . . 4831 2 50 1DHN . 1 1 59 59 ASN H . . . . 1 1 59 59 ASN N . . . -1.5 . . . . . . . . . . . . . . 4831 2 51 1DHN . 1 1 60 60 SER H . . . . 1 1 60 60 SER N . . . -12.8 . . . . . . . . . . . . . . 4831 2 52 1DHN . 1 1 61 61 ARG H . . . . 1 1 61 61 ARG N . . . 4.3 . . . . . . . . . . . . . . 4831 2 53 1DHN . 1 1 62 62 TRP H . . . . 1 1 62 62 TRP N . . . 2.2 . . . . . . . . . . . . . . 4831 2 54 1DHN . 1 1 63 63 TRP H . . . . 1 1 63 63 TRP N . . . -13.5 . . . . . . . . . . . . . . 4831 2 55 1DHN . 1 1 64 64 CYS H . . . . 1 1 64 64 CYS N . . . -10.4 . . . . . . . . . . . . . . 4831 2 56 1DHN . 1 1 65 65 ASN H . . . . 1 1 65 65 ASN N . . . -3.4 . . . . . . . . . . . . . . 4831 2 57 1DHN . 1 1 66 66 ASP H . . . . 1 1 66 66 ASP N . . . -5.6 . . . . . . . . . . . . . . 4831 2 58 1DHN . 1 1 67 67 GLY H . . . . 1 1 67 67 GLY N . . . -11.9 . . . . . . . . . . . . . . 4831 2 59 1DHN . 1 1 68 68 ARG H . . . . 1 1 68 68 ARG N . . . 22.1 . . . . . . . . . . . . . . 4831 2 60 1DHN . 1 1 72 72 SER H . . . . 1 1 72 72 SER N . . . -2.3 . . . . . . . . . . . . . . 4831 2 61 1DHN . 1 1 73 73 ARG H . . . . 1 1 73 73 ARG N . . . -1.9 . . . . . . . . . . . . . . 4831 2 62 1DHN . 1 1 76 76 CYS H . . . . 1 1 76 76 CYS N . . . -11.1 . . . . . . . . . . . . . . 4831 2 63 1DHN . 1 1 77 77 ASN H . . . . 1 1 77 77 ASN N . . . 0.2 . . . . . . . . . . . . . . 4831 2 64 1DHN . 1 1 78 78 ILE H . . . . 1 1 78 78 ILE N . . . -6.7 . . . . . . . . . . . . . . 4831 2 65 1DHN . 1 1 80 80 CYS H . . . . 1 1 80 80 CYS N . . . 25.1 . . . . . . . . . . . . . . 4831 2 66 1DHN . 1 1 81 81 SER H . . . . 1 1 81 81 SER N . . . 23.5 . . . . . . . . . . . . . . 4831 2 67 1DHN . 1 1 82 82 ALA H . . . . 1 1 82 82 ALA N . . . 10.3 . . . . . . . . . . . . . . 4831 2 68 1DHN . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU N . . . 22.0 . . . . . . . . . . . . . . 4831 2 69 1DHN . 1 1 84 84 LEU H . . . . 1 1 84 84 LEU N . . . 11.1 . . . . . . . . . . . . . . 4831 2 70 1DHN . 1 1 85 85 SER H . . . . 1 1 85 85 SER N . . . -7.1 . . . . . . . . . . . . . . 4831 2 71 1DHN . 1 1 87 87 ASP H . . . . 1 1 87 87 ASP N . . . 22.0 . . . . . . . . . . . . . . 4831 2 72 1DHN . 1 1 89 89 THR H . . . . 1 1 89 89 THR N . . . -6.5 . . . . . . . . . . . . . . 4831 2 73 1DHN . 1 1 90 90 ALA H . . . . 1 1 90 90 ALA N . . . -11.4 . . . . . . . . . . . . . . 4831 2 74 1DHN . 1 1 91 91 SER H . . . . 1 1 91 91 SER N . . . -2.2 . . . . . . . . . . . . . . 4831 2 75 1DHN . 1 1 92 92 VAL H . . . . 1 1 92 92 VAL N . . . -8.5 . . . . . . . . . . . . . . 4831 2 76 1DHN . 1 1 93 93 ASN H . . . . 1 1 93 93 ASN N . . . -10.6 . . . . . . . . . . . . . . 4831 2 77 1DHN . 1 1 94 94 CYS H . . . . 1 1 94 94 CYS N . . . -10.9 . . . . . . . . . . . . . . 4831 2 78 1DHN . 1 1 95 95 ALA H . . . . 1 1 95 95 ALA N . . . -7.0 . . . . . . . . . . . . . . 4831 2 79 1DHN . 1 1 96 96 LYS H . . . . 1 1 96 96 LYS N . . . -11.1 . . . . . . . . . . . . . . 4831 2 80 1DHN . 1 1 97 97 LYS H . . . . 1 1 97 97 LYS N . . . -11.5 . . . . . . . . . . . . . . 4831 2 81 1DHN . 1 1 99 99 VAL H . . . . 1 1 99 99 VAL N . . . -7.4 . . . . . . . . . . . . . . 4831 2 82 1DHN . 1 1 100 100 SER H . . . . 1 1 100 100 SER N . . . -5.4 . . . . . . . . . . . . . . 4831 2 83 1DHN . 1 1 101 101 ASP H . . . . 1 1 101 101 ASP N . . . -11.9 . . . . . . . . . . . . . . 4831 2 84 1DHN . 1 1 102 102 GLY H . . . . 1 1 102 102 GLY N . . . 9.7 . . . . . . . . . . . . . . 4831 2 85 1DHN . 1 1 104 104 GLY H . . . . 1 1 104 104 GLY N . . . -7.4 . . . . . . . . . . . . . . 4831 2 86 1DHN . 1 1 105 105 MET H . . . . 1 1 105 105 MET N . . . 8.8 . . . . . . . . . . . . . . 4831 2 87 1DHN . 1 1 106 106 ASN H . . . . 1 1 106 106 ASN N . . . -14.0 . . . . . . . . . . . . . . 4831 2 88 1DHN . 1 1 107 107 ALA H . . . . 1 1 107 107 ALA N . . . -6.3 . . . . . . . . . . . . . . 4831 2 89 1DHN . 1 1 109 109 VAL H . . . . 1 1 109 109 VAL N . . . 11.4 . . . . . . . . . . . . . . 4831 2 90 1DHN . 1 1 110 110 ALA H . . . . 1 1 110 110 ALA N . . . -3.9 . . . . . . . . . . . . . . 4831 2 91 1DHN . 1 1 111 111 TRP H . . . . 1 1 111 111 TRP N . . . 15.5 . . . . . . . . . . . . . . 4831 2 92 1DHN . 1 1 112 112 ARG H . . . . 1 1 112 112 ARG N . . . 16.9 . . . . . . . . . . . . . . 4831 2 93 1DHN . 1 1 113 113 ASN H . . . . 1 1 113 113 ASN N . . . 4.0 . . . . . . . . . . . . . . 4831 2 94 1DHN . 1 1 114 114 ARG H . . . . 1 1 114 114 ARG N . . . 0.0 . . . . . . . . . . . . . . 4831 2 95 1DHN . 1 1 116 116 LYS H . . . . 1 1 116 116 LYS N . . . 21.1 . . . . . . . . . . . . . . 4831 2 96 1DHN . 1 1 118 118 THR H . . . . 1 1 118 118 THR N . . . 3.9 . . . . . . . . . . . . . . 4831 2 97 1DHN . 1 1 120 120 VAL H . . . . 1 1 120 120 VAL N . . . -7.4 . . . . . . . . . . . . . . 4831 2 98 1DHN . 1 1 123 123 TRP H . . . . 1 1 123 123 TRP N . . . -4.8 . . . . . . . . . . . . . . 4831 2 99 1DHN . 1 1 124 124 ILE H . . . . 1 1 124 124 ILE N . . . -8.7 . . . . . . . . . . . . . . 4831 2 100 1DHN . 1 1 125 125 ARG H . . . . 1 1 125 125 ARG N . . . -2.1 . . . . . . . . . . . . . . 4831 2 101 1DHN . 1 1 127 127 CYS H . . . . 1 1 127 127 CYS N . . . -6.4 . . . . . . . . . . . . . . 4831 2 102 1DHN . 1 1 129 129 LEU H . . . . 1 1 129 129 LEU N . . . 4.5 . . . . . . . . . . . . . . 4831 2 stop_ save_