data_4932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4932 _Entry.Title ; NMR Structure of wheat nonspecific lipid transfer protein ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-12-21 _Entry.Accession_date 2000-12-21 _Entry.Last_release_date 2001-01-09 _Entry.Original_release_date 2001-01-09 _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 Anita Caille . . . 4932 2 Francoise Vovelle . . . 4932 3 Denise Sy . . . 4932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4932 coupling_constants 1 4932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 597 4932 'coupling constants' 69 4932 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 . . 2001-01-09 2000-12-21 original author . 4932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H Assigned Chemical Shifts for Wheat ns-LTP.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details ; A NMR study of wheat ns-LTP has been published previously (Gincel E., Simorre J.P., Caille A., Ptak M., Vovelle F., Eur.J.Biochem. 1994, 226, 413-422) ; 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 Anita Caille . . . 4932 1 2 Francoise Vovelle . . . 4932 1 3 Denise Sy . . . 4932 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '4-helix winding' 4932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ns-LTP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ns-LTP _Assembly.Entry_ID 4932 _Assembly.ID 1 _Assembly.Name 'nonspecific lipid transfer protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4932 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 'nonspecific lipid transfer protein' 1 $ns-LTP_monomer . . . native . . . . . 4932 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 3 3 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 4932 1 2 disulfide single . 1 . . CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 4932 1 3 disulfide single . 1 . . CYS 28 28 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 4932 1 4 disulfide single . 1 . . CYS 48 48 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 4932 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 1GH1 . 'A Chain A, Nmr Structures Of Wheat Nonspecific Lipid Transfer Protein' . . . . 4932 1 . PDB 1BWO . 'A Chain A, The Crystal Structure Of Wheat Non-Specific Transfer Protein Complexed With Two Molecules Of Phospholipid At 2.1 A Resolution' . . . . 4932 1 . PDB 1CZ2 . 'A Chain A, Solution Structure Of Wheat Ns-Ltp Complexed With Prostaglandin B2' . . . . 4932 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nonspecific lipid transfer protein' system 4932 1 ns-LTP abbreviation 4932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ns-LTP_monomer _Entity.Sf_category entity _Entity.Sf_framecode ns-LTP_monomer _Entity.Entry_ID 4932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'non specific lipid transfer protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IDCGHVDSLVRPCLSYVQGG PGPSGQCCDGVKNLHNQARS QSDRQSACNCLKGIARGIHN LNEDNARSIPPKCGVNLPYT ISLNIDCSRV ; _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 90 _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 9000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 16415 . ns-LTP . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 2 no BMRB 2065 . "phospholipid transfer protein" . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 3 no BMRB 4383 . wheat_ns-LTP . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 4 no PDB 1BWO . "The Crystal Structure Of Wheat Non-Specific Transfer Protein Complexed With Two Molecules Of Phospholipid At 2.1 A Resolution" . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 5 no PDB 1CZ2 . "Solution Structure Of Wheat Ns-Ltp Complexed With Prostaglandin B2" . . . . . 98.89 90 100.00 100.00 4.21e-56 . . . . 4932 1 6 no PDB 1GH1 . "Nmr Structures Of Wheat Nonspecific Lipid Transfer Protein" . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 7 no EMBL CAA45210 . "lipid transfer protein [Triticum turgidum subsp. durum]" . . . . . 100.00 113 100.00 100.00 5.01e-58 . . . . 4932 1 8 no EMBL CAH69187 . "type 1 non specific lipid transfer protein precursor [Triticum aestivum]" . . . . . 100.00 116 100.00 100.00 3.15e-58 . . . . 4932 1 9 no GB AAB22334 . "non-specific phospholipid transfer protein, nsPLTP [Tricum aestivum=wheat, var. Camp Remy, seeds, Peptide, 90 aa]" . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 10 no GB AAN75627 . "lipid transfer protein 1 precursor [Triticum aestivum]" . . . . . 100.00 116 100.00 100.00 3.15e-58 . . . . 4932 1 11 no PIR S22528 . "lipid transfer protein precursor - durum wheat (fragment)" . . . . . 100.00 113 100.00 100.00 5.01e-58 . . . . 4932 1 12 no PRF 1814270A . "phospholipid transfer protein" . . . . . 100.00 90 100.00 100.00 8.95e-57 . . . . 4932 1 13 no SP P24296 . "RecName: Full=Non-specific lipid-transfer protein; Short=LTP; AltName: Full=Phospholipid transfer protein; Short=PLTP; AltName:" . . . . . 100.00 113 100.00 100.00 5.01e-58 . . . . 4932 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'non specific lipid transfer protein' common 4932 1 ns_LTP abbreviation 4932 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 . ILE . 4932 1 2 . ASP . 4932 1 3 . CYS . 4932 1 4 . GLY . 4932 1 5 . HIS . 4932 1 6 . VAL . 4932 1 7 . ASP . 4932 1 8 . SER . 4932 1 9 . LEU . 4932 1 10 . VAL . 4932 1 11 . ARG . 4932 1 12 . PRO . 4932 1 13 . CYS . 4932 1 14 . LEU . 4932 1 15 . SER . 4932 1 16 . TYR . 4932 1 17 . VAL . 4932 1 18 . GLN . 4932 1 19 . GLY . 4932 1 20 . GLY . 4932 1 21 . PRO . 4932 1 22 . GLY . 4932 1 23 . PRO . 4932 1 24 . SER . 4932 1 25 . GLY . 4932 1 26 . GLN . 4932 1 27 . CYS . 4932 1 28 . CYS . 4932 1 29 . ASP . 4932 1 30 . GLY . 4932 1 31 . VAL . 4932 1 32 . LYS . 4932 1 33 . ASN . 4932 1 34 . LEU . 4932 1 35 . HIS . 4932 1 36 . ASN . 4932 1 37 . GLN . 4932 1 38 . ALA . 4932 1 39 . ARG . 4932 1 40 . SER . 4932 1 41 . GLN . 4932 1 42 . SER . 4932 1 43 . ASP . 4932 1 44 . ARG . 4932 1 45 . GLN . 4932 1 46 . SER . 4932 1 47 . ALA . 4932 1 48 . CYS . 4932 1 49 . ASN . 4932 1 50 . CYS . 4932 1 51 . LEU . 4932 1 52 . LYS . 4932 1 53 . GLY . 4932 1 54 . ILE . 4932 1 55 . ALA . 4932 1 56 . ARG . 4932 1 57 . GLY . 4932 1 58 . ILE . 4932 1 59 . HIS . 4932 1 60 . ASN . 4932 1 61 . LEU . 4932 1 62 . ASN . 4932 1 63 . GLU . 4932 1 64 . ASP . 4932 1 65 . ASN . 4932 1 66 . ALA . 4932 1 67 . ARG . 4932 1 68 . SER . 4932 1 69 . ILE . 4932 1 70 . PRO . 4932 1 71 . PRO . 4932 1 72 . LYS . 4932 1 73 . CYS . 4932 1 74 . GLY . 4932 1 75 . VAL . 4932 1 76 . ASN . 4932 1 77 . LEU . 4932 1 78 . PRO . 4932 1 79 . TYR . 4932 1 80 . THR . 4932 1 81 . ILE . 4932 1 82 . SER . 4932 1 83 . LEU . 4932 1 84 . ASN . 4932 1 85 . ILE . 4932 1 86 . ASP . 4932 1 87 . CYS . 4932 1 88 . SER . 4932 1 89 . ARG . 4932 1 90 . VAL . 4932 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 . ILE 1 1 4932 1 . ASP 2 2 4932 1 . CYS 3 3 4932 1 . GLY 4 4 4932 1 . HIS 5 5 4932 1 . VAL 6 6 4932 1 . ASP 7 7 4932 1 . SER 8 8 4932 1 . LEU 9 9 4932 1 . VAL 10 10 4932 1 . ARG 11 11 4932 1 . PRO 12 12 4932 1 . CYS 13 13 4932 1 . LEU 14 14 4932 1 . SER 15 15 4932 1 . TYR 16 16 4932 1 . VAL 17 17 4932 1 . GLN 18 18 4932 1 . GLY 19 19 4932 1 . GLY 20 20 4932 1 . PRO 21 21 4932 1 . GLY 22 22 4932 1 . PRO 23 23 4932 1 . SER 24 24 4932 1 . GLY 25 25 4932 1 . GLN 26 26 4932 1 . CYS 27 27 4932 1 . CYS 28 28 4932 1 . ASP 29 29 4932 1 . GLY 30 30 4932 1 . VAL 31 31 4932 1 . LYS 32 32 4932 1 . ASN 33 33 4932 1 . LEU 34 34 4932 1 . HIS 35 35 4932 1 . ASN 36 36 4932 1 . GLN 37 37 4932 1 . ALA 38 38 4932 1 . ARG 39 39 4932 1 . SER 40 40 4932 1 . GLN 41 41 4932 1 . SER 42 42 4932 1 . ASP 43 43 4932 1 . ARG 44 44 4932 1 . GLN 45 45 4932 1 . SER 46 46 4932 1 . ALA 47 47 4932 1 . CYS 48 48 4932 1 . ASN 49 49 4932 1 . CYS 50 50 4932 1 . LEU 51 51 4932 1 . LYS 52 52 4932 1 . GLY 53 53 4932 1 . ILE 54 54 4932 1 . ALA 55 55 4932 1 . ARG 56 56 4932 1 . GLY 57 57 4932 1 . ILE 58 58 4932 1 . HIS 59 59 4932 1 . ASN 60 60 4932 1 . LEU 61 61 4932 1 . ASN 62 62 4932 1 . GLU 63 63 4932 1 . ASP 64 64 4932 1 . ASN 65 65 4932 1 . ALA 66 66 4932 1 . ARG 67 67 4932 1 . SER 68 68 4932 1 . ILE 69 69 4932 1 . PRO 70 70 4932 1 . PRO 71 71 4932 1 . LYS 72 72 4932 1 . CYS 73 73 4932 1 . GLY 74 74 4932 1 . VAL 75 75 4932 1 . ASN 76 76 4932 1 . LEU 77 77 4932 1 . PRO 78 78 4932 1 . TYR 79 79 4932 1 . THR 80 80 4932 1 . ILE 81 81 4932 1 . SER 82 82 4932 1 . LEU 83 83 4932 1 . ASN 84 84 4932 1 . ILE 85 85 4932 1 . ASP 86 86 4932 1 . CYS 87 87 4932 1 . SER 88 88 4932 1 . ARG 89 89 4932 1 . VAL 90 90 4932 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 4932 _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 $ns-LTP_monomer . 4565 organism . 'Triticum aestivum' Wheat . . Eukaryota Viridiplantae Triticum aestivum . . . seeds . . . . . . . . extracellular . . . . . . . . 4932 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 4932 _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 $ns-LTP_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4932 _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 'non specific lipid transfer protein' . . . 1 $ns-LTP_monomer . . 4 . . mM . . . . 4932 1 2 'acetate buffer' . . . . . . . 50 . . mM . . . . 4932 1 3 H2O . . . . . . . 90 . . % . . . . 4932 1 4 D2O . . . . . . . 10 . . % . . . . 4932 1 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 4932 _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 5.3 0.2 n/a 4932 1 temperature 308 2 K 4932 1 'ionic strength' 50 . mM 4932 1 pressure 1 . atm 4932 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 4932 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4932 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4932 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details 'C.Bartels (1995)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4932 2 stop_ save_ save_INFIT _Software.Sf_category software _Software.Sf_framecode INFIT _Software.Entry_ID 4932 _Software.ID 3 _Software.Name INFIT _Software.Version . _Software.Details 'C.Bartels (1995)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'J-coupling analysis' 4932 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4932 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4932 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AMX . 500 . . . 4932 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 4932 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-NOESY 60-ms mixing time' . 1 $NMR_applied_experiment . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4932 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4932 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-NOESY 60-ms mixing time' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4932 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4932 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 4932 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4932 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 ILE HA H 1 4.02 0.03 . 1 . . . . . . . . 4932 1 2 . 1 1 1 1 ILE HB H 1 1.85 0.03 . 1 . . . . . . . . 4932 1 3 . 1 1 1 1 ILE HG12 H 1 1.68 0.03 . 2 . . . . . . . . 4932 1 4 . 1 1 1 1 ILE HG13 H 1 1.30 0.03 . 2 . . . . . . . . 4932 1 5 . 1 1 1 1 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 4932 1 6 . 1 1 1 1 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 4932 1 7 . 1 1 1 1 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 4932 1 8 . 1 1 1 1 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 9 . 1 1 1 1 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 10 . 1 1 1 1 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 11 . 1 1 2 2 ASP H H 1 8.51 0.03 . 1 . . . . . . . . 4932 1 12 . 1 1 2 2 ASP HA H 1 4.87 0.03 . 1 . . . . . . . . 4932 1 13 . 1 1 2 2 ASP HB2 H 1 2.83 0.03 . 2 . . . . . . . . 4932 1 14 . 1 1 2 2 ASP HB3 H 1 2.79 0.03 . 2 . . . . . . . . 4932 1 15 . 1 1 3 3 CYS H H 1 9.28 0.03 . 1 . . . . . . . . 4932 1 16 . 1 1 3 3 CYS HA H 1 4.67 0.03 . 1 . . . . . . . . 4932 1 17 . 1 1 3 3 CYS HB2 H 1 3.39 0.03 . 2 . . . . . . . . 4932 1 18 . 1 1 3 3 CYS HB3 H 1 2.99 0.03 . 1 . . . . . . . . 4932 1 19 . 1 1 4 4 GLY H H 1 8.86 0.03 . 1 . . . . . . . . 4932 1 20 . 1 1 4 4 GLY HA2 H 1 3.97 0.03 . 1 . . . . . . . . 4932 1 21 . 1 1 4 4 GLY HA3 H 1 3.97 0.03 . 1 . . . . . . . . 4932 1 22 . 1 1 5 5 HIS H H 1 8.0 0.03 . 1 . . . . . . . . 4932 1 23 . 1 1 5 5 HIS HA H 1 4.58 0.03 . 1 . . . . . . . . 4932 1 24 . 1 1 5 5 HIS HB2 H 1 3.43 0.03 . 2 . . . . . . . . 4932 1 25 . 1 1 5 5 HIS HB3 H 1 3.36 0.03 . 2 . . . . . . . . 4932 1 26 . 1 1 5 5 HIS HD2 H 1 7.10 0.03 . 1 . . . . . . . . 4932 1 27 . 1 1 5 5 HIS HE1 H 1 8.55 0.03 . 1 . . . . . . . . 4932 1 28 . 1 1 6 6 VAL H H 1 7.88 0.03 . 1 . . . . . . . . 4932 1 29 . 1 1 6 6 VAL HA H 1 3.39 0.03 . 1 . . . . . . . . 4932 1 30 . 1 1 6 6 VAL HB H 1 2.29 0.03 . 1 . . . . . . . . 4932 1 31 . 1 1 6 6 VAL HG11 H 1 1.06 0.03 . 2 . . . . . . . . 4932 1 32 . 1 1 6 6 VAL HG12 H 1 1.06 0.03 . 2 . . . . . . . . 4932 1 33 . 1 1 6 6 VAL HG13 H 1 1.06 0.03 . 2 . . . . . . . . 4932 1 34 . 1 1 6 6 VAL HG21 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 35 . 1 1 6 6 VAL HG22 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 36 . 1 1 6 6 VAL HG23 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 37 . 1 1 7 7 ASP H H 1 8.64 0.03 . 1 . . . . . . . . 4932 1 38 . 1 1 7 7 ASP HA H 1 4.14 0.03 . 1 . . . . . . . . 4932 1 39 . 1 1 7 7 ASP HB2 H 1 2.84 0.03 . 2 . . . . . . . . 4932 1 40 . 1 1 7 7 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4932 1 41 . 1 1 8 8 SER H H 1 7.53 0.03 . 1 . . . . . . . . 4932 1 42 . 1 1 8 8 SER HA H 1 4.15 0.03 . 1 . . . . . . . . 4932 1 43 . 1 1 8 8 SER HB2 H 1 4.05 0.03 . 1 . . . . . . . . 4932 1 44 . 1 1 8 8 SER HB3 H 1 4.05 0.03 . 1 . . . . . . . . 4932 1 45 . 1 1 9 9 LEU H H 1 7.66 0.03 . 1 . . . . . . . . 4932 1 46 . 1 1 9 9 LEU HA H 1 4.20 0.03 . 1 . . . . . . . . 4932 1 47 . 1 1 9 9 LEU HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4932 1 48 . 1 1 9 9 LEU HB3 H 1 1.45 0.03 . 2 . . . . . . . . 4932 1 49 . 1 1 9 9 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4932 1 50 . 1 1 9 9 LEU HD11 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 51 . 1 1 9 9 LEU HD12 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 52 . 1 1 9 9 LEU HD13 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 53 . 1 1 9 9 LEU HD21 H 1 0.71 0.03 . 2 . . . . . . . . 4932 1 54 . 1 1 9 9 LEU HD22 H 1 0.71 0.03 . 2 . . . . . . . . 4932 1 55 . 1 1 9 9 LEU HD23 H 1 0.71 0.03 . 2 . . . . . . . . 4932 1 56 . 1 1 10 10 VAL H H 1 7.51 0.03 . 1 . . . . . . . . 4932 1 57 . 1 1 10 10 VAL HA H 1 4.64 0.03 . 1 . . . . . . . . 4932 1 58 . 1 1 10 10 VAL HB H 1 2.31 0.03 . 1 . . . . . . . . 4932 1 59 . 1 1 10 10 VAL HG11 H 1 0.92 0.03 . 2 . . . . . . . . 4932 1 60 . 1 1 10 10 VAL HG12 H 1 0.92 0.03 . 2 . . . . . . . . 4932 1 61 . 1 1 10 10 VAL HG13 H 1 0.92 0.03 . 2 . . . . . . . . 4932 1 62 . 1 1 10 10 VAL HG21 H 1 0.87 0.03 . 2 . . . . . . . . 4932 1 63 . 1 1 10 10 VAL HG22 H 1 0.87 0.03 . 2 . . . . . . . . 4932 1 64 . 1 1 10 10 VAL HG23 H 1 0.87 0.03 . 2 . . . . . . . . 4932 1 65 . 1 1 11 11 ARG H H 1 7.92 0.03 . 1 . . . . . . . . 4932 1 66 . 1 1 11 11 ARG HA H 1 4.25 0.03 . 1 . . . . . . . . 4932 1 67 . 1 1 11 11 ARG HB2 H 1 2.24 0.03 . 2 . . . . . . . . 4932 1 68 . 1 1 11 11 ARG HB3 H 1 1.97 0.03 . 2 . . . . . . . . 4932 1 69 . 1 1 11 11 ARG HG2 H 1 1.79 0.03 . 1 . . . . . . . . 4932 1 70 . 1 1 11 11 ARG HG3 H 1 1.79 0.03 . 1 . . . . . . . . 4932 1 71 . 1 1 11 11 ARG HD2 H 1 3.31 0.03 . 2 . . . . . . . . 4932 1 72 . 1 1 11 11 ARG HD3 H 1 3.22 0.03 . 2 . . . . . . . . 4932 1 73 . 1 1 11 11 ARG HE H 1 7.65 0.03 . 1 . . . . . . . . 4932 1 74 . 1 1 12 12 PRO HA H 1 4.64 0.03 . 1 . . . . . . . . 4932 1 75 . 1 1 12 12 PRO HB2 H 1 2.54 0.03 . 2 . . . . . . . . 4932 1 76 . 1 1 12 12 PRO HB3 H 1 1.31 0.03 . 2 . . . . . . . . 4932 1 77 . 1 1 12 12 PRO HG2 H 1 2.02 0.03 . 2 . . . . . . . . 4932 1 78 . 1 1 12 12 PRO HG3 H 1 1.96 0.03 . 2 . . . . . . . . 4932 1 79 . 1 1 12 12 PRO HD2 H 1 3.76 0.03 . 2 . . . . . . . . 4932 1 80 . 1 1 12 12 PRO HD3 H 1 3.58 0.03 . 2 . . . . . . . . 4932 1 81 . 1 1 13 13 CYS H H 1 8.78 0.03 . 1 . . . . . . . . 4932 1 82 . 1 1 13 13 CYS HA H 1 4.79 0.03 . 1 . . . . . . . . 4932 1 83 . 1 1 13 13 CYS HB2 H 1 3.31 0.03 . 2 . . . . . . . . 4932 1 84 . 1 1 13 13 CYS HB3 H 1 3.21 0.03 . 2 . . . . . . . . 4932 1 85 . 1 1 14 14 LEU H H 1 8.24 0.03 . 1 . . . . . . . . 4932 1 86 . 1 1 14 14 LEU HA H 1 4.01 0.03 . 1 . . . . . . . . 4932 1 87 . 1 1 14 14 LEU HB2 H 1 2.04 0.03 . 2 . . . . . . . . 4932 1 88 . 1 1 14 14 LEU HB3 H 1 1.51 0.03 . 2 . . . . . . . . 4932 1 89 . 1 1 14 14 LEU HG H 1 2.03 0.03 . 1 . . . . . . . . 4932 1 90 . 1 1 14 14 LEU HD11 H 1 0.97 0.03 . 2 . . . . . . . . 4932 1 91 . 1 1 14 14 LEU HD12 H 1 0.97 0.03 . 2 . . . . . . . . 4932 1 92 . 1 1 14 14 LEU HD13 H 1 0.97 0.03 . 2 . . . . . . . . 4932 1 93 . 1 1 14 14 LEU HD21 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 94 . 1 1 14 14 LEU HD22 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 95 . 1 1 14 14 LEU HD23 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 96 . 1 1 15 15 SER H H 1 8.66 0.03 . 1 . . . . . . . . 4932 1 97 . 1 1 15 15 SER HA H 1 4.24 0.03 . 1 . . . . . . . . 4932 1 98 . 1 1 15 15 SER HB2 H 1 4.06 0.03 . 2 . . . . . . . . 4932 1 99 . 1 1 15 15 SER HB3 H 1 3.96 0.03 . 2 . . . . . . . . 4932 1 100 . 1 1 16 16 TYR H H 1 7.30 0.03 . 1 . . . . . . . . 4932 1 101 . 1 1 16 16 TYR HA H 1 4.65 0.03 . 1 . . . . . . . . 4932 1 102 . 1 1 16 16 TYR HB2 H 1 3.51 0.03 . 2 . . . . . . . . 4932 1 103 . 1 1 16 16 TYR HB3 H 1 3.15 0.03 . 2 . . . . . . . . 4932 1 104 . 1 1 16 16 TYR HD1 H 1 7.04 0.03 . 1 . . . . . . . . 4932 1 105 . 1 1 16 16 TYR HD2 H 1 7.04 0.03 . 1 . . . . . . . . 4932 1 106 . 1 1 16 16 TYR HE1 H 1 6.61 0.03 . 1 . . . . . . . . 4932 1 107 . 1 1 16 16 TYR HE2 H 1 6.61 0.03 . 1 . . . . . . . . 4932 1 108 . 1 1 17 17 VAL H H 1 7.97 0.03 . 1 . . . . . . . . 4932 1 109 . 1 1 17 17 VAL HA H 1 3.75 0.03 . 1 . . . . . . . . 4932 1 110 . 1 1 17 17 VAL HB H 1 2.45 0.03 . 1 . . . . . . . . 4932 1 111 . 1 1 17 17 VAL HG11 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 112 . 1 1 17 17 VAL HG12 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 113 . 1 1 17 17 VAL HG13 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 114 . 1 1 17 17 VAL HG21 H 1 1.03 0.03 . 2 . . . . . . . . 4932 1 115 . 1 1 17 17 VAL HG22 H 1 1.03 0.03 . 2 . . . . . . . . 4932 1 116 . 1 1 17 17 VAL HG23 H 1 1.03 0.03 . 2 . . . . . . . . 4932 1 117 . 1 1 18 18 GLN H H 1 7.61 0.03 . 1 . . . . . . . . 4932 1 118 . 1 1 18 18 GLN HA H 1 4.69 0.03 . 1 . . . . . . . . 4932 1 119 . 1 1 18 18 GLN HB2 H 1 2.43 0.03 . 2 . . . . . . . . 4932 1 120 . 1 1 18 18 GLN HB3 H 1 2.08 0.03 . 2 . . . . . . . . 4932 1 121 . 1 1 18 18 GLN HG2 H 1 2.43 0.03 . 2 . . . . . . . . 4932 1 122 . 1 1 18 18 GLN HG3 H 1 2.37 0.03 . 2 . . . . . . . . 4932 1 123 . 1 1 18 18 GLN HE21 H 1 7.15 0.03 . 2 . . . . . . . . 4932 1 124 . 1 1 18 18 GLN HE22 H 1 6.95 0.03 . 2 . . . . . . . . 4932 1 125 . 1 1 19 19 GLY H H 1 7.74 0.03 . 1 . . . . . . . . 4932 1 126 . 1 1 19 19 GLY HA2 H 1 4.61 0.03 . 2 . . . . . . . . 4932 1 127 . 1 1 19 19 GLY HA3 H 1 3.50 0.03 . 2 . . . . . . . . 4932 1 128 . 1 1 20 20 GLY H H 1 8.33 0.03 . 1 . . . . . . . . 4932 1 129 . 1 1 20 20 GLY HA2 H 1 4.46 0.03 . 2 . . . . . . . . 4932 1 130 . 1 1 20 20 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 4932 1 131 . 1 1 21 21 PRO HA H 1 4.73 0.03 . 1 . . . . . . . . 4932 1 132 . 1 1 21 21 PRO HB2 H 1 2.35 0.03 . 2 . . . . . . . . 4932 1 133 . 1 1 21 21 PRO HB3 H 1 1.92 0.03 . 2 . . . . . . . . 4932 1 134 . 1 1 21 21 PRO HG2 H 1 2.07 0.03 . 2 . . . . . . . . 4932 1 135 . 1 1 21 21 PRO HG3 H 1 2.03 0.03 . 2 . . . . . . . . 4932 1 136 . 1 1 21 21 PRO HD2 H 1 3.66 0.03 . 1 . . . . . . . . 4932 1 137 . 1 1 21 21 PRO HD3 H 1 3.66 0.03 . 1 . . . . . . . . 4932 1 138 . 1 1 22 22 GLY H H 1 8.18 0.03 . 1 . . . . . . . . 4932 1 139 . 1 1 22 22 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 4932 1 140 . 1 1 22 22 GLY HA3 H 1 3.21 0.03 . 2 . . . . . . . . 4932 1 141 . 1 1 23 23 PRO HA H 1 3.82 0.03 . 1 . . . . . . . . 4932 1 142 . 1 1 23 23 PRO HB2 H 1 1.83 0.03 . 2 . . . . . . . . 4932 1 143 . 1 1 23 23 PRO HB3 H 1 1.79 0.03 . 2 . . . . . . . . 4932 1 144 . 1 1 23 23 PRO HG2 H 1 1.83 0.03 . 2 . . . . . . . . 4932 1 145 . 1 1 23 23 PRO HG3 H 1 1.56 0.03 . 2 . . . . . . . . 4932 1 146 . 1 1 23 23 PRO HD2 H 1 3.35 0.03 . 2 . . . . . . . . 4932 1 147 . 1 1 23 23 PRO HD3 H 1 2.86 0.03 . 2 . . . . . . . . 4932 1 148 . 1 1 24 24 SER H H 1 8.99 0.03 . 1 . . . . . . . . 4932 1 149 . 1 1 24 24 SER HA H 1 4.44 0.03 . 1 . . . . . . . . 4932 1 150 . 1 1 24 24 SER HB2 H 1 4.44 0.03 . 2 . . . . . . . . 4932 1 151 . 1 1 24 24 SER HB3 H 1 4.18 0.03 . 2 . . . . . . . . 4932 1 152 . 1 1 24 24 SER HG H 1 5.67 0.03 . 1 . . . . . . . . 4932 1 153 . 1 1 25 25 GLY H H 1 9.04 0.03 . 1 . . . . . . . . 4932 1 154 . 1 1 25 25 GLY HA2 H 1 3.96 0.03 . 2 . . . . . . . . 4932 1 155 . 1 1 25 25 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 4932 1 156 . 1 1 26 26 GLN H H 1 8.37 0.03 . 1 . . . . . . . . 4932 1 157 . 1 1 26 26 GLN HA H 1 4.20 0.03 . 1 . . . . . . . . 4932 1 158 . 1 1 26 26 GLN HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4932 1 159 . 1 1 26 26 GLN HB3 H 1 2.05 0.03 . 2 . . . . . . . . 4932 1 160 . 1 1 26 26 GLN HG2 H 1 2.60 0.03 . 1 . . . . . . . . 4932 1 161 . 1 1 26 26 GLN HG3 H 1 2.60 0.03 . 1 . . . . . . . . 4932 1 162 . 1 1 26 26 GLN HE21 H 1 7.39 0.03 . 2 . . . . . . . . 4932 1 163 . 1 1 26 26 GLN HE22 H 1 6.93 0.03 . 2 . . . . . . . . 4932 1 164 . 1 1 27 27 CYS H H 1 8.00 0.03 . 1 . . . . . . . . 4932 1 165 . 1 1 27 27 CYS HA H 1 4.37 0.03 . 1 . . . . . . . . 4932 1 166 . 1 1 27 27 CYS HB2 H 1 3.36 0.03 . 2 . . . . . . . . 4932 1 167 . 1 1 27 27 CYS HB3 H 1 2.87 0.03 . 2 . . . . . . . . 4932 1 168 . 1 1 28 28 CYS H H 1 8.23 0.03 . 1 . . . . . . . . 4932 1 169 . 1 1 28 28 CYS HA H 1 4.73 0.03 . 1 . . . . . . . . 4932 1 170 . 1 1 28 28 CYS HB2 H 1 3.13 0.03 . 2 . . . . . . . . 4932 1 171 . 1 1 28 28 CYS HB3 H 1 2.89 0.03 . 2 . . . . . . . . 4932 1 172 . 1 1 29 29 ASP H H 1 8.90 0.03 . 1 . . . . . . . . 4932 1 173 . 1 1 29 29 ASP HA H 1 4.45 0.03 . 1 . . . . . . . . 4932 1 174 . 1 1 29 29 ASP HB2 H 1 2.77 0.03 . 2 . . . . . . . . 4932 1 175 . 1 1 29 29 ASP HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4932 1 176 . 1 1 30 30 GLY H H 1 8.03 0.03 . 1 . . . . . . . . 4932 1 177 . 1 1 30 30 GLY HA2 H 1 4.34 0.03 . 2 . . . . . . . . 4932 1 178 . 1 1 30 30 GLY HA3 H 1 3.95 0.03 . 2 . . . . . . . . 4932 1 179 . 1 1 31 31 VAL H H 1 8.31 0.03 . 1 . . . . . . . . 4932 1 180 . 1 1 31 31 VAL HA H 1 3.80 0.03 . 1 . . . . . . . . 4932 1 181 . 1 1 31 31 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 4932 1 182 . 1 1 31 31 VAL HG11 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 183 . 1 1 31 31 VAL HG12 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 184 . 1 1 31 31 VAL HG13 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 185 . 1 1 31 31 VAL HG21 H 1 0.91 0.03 . 2 . . . . . . . . 4932 1 186 . 1 1 31 31 VAL HG22 H 1 0.91 0.03 . 2 . . . . . . . . 4932 1 187 . 1 1 31 31 VAL HG23 H 1 0.91 0.03 . 2 . . . . . . . . 4932 1 188 . 1 1 32 32 LYS H H 1 8.48 0.03 . 1 . . . . . . . . 4932 1 189 . 1 1 32 32 LYS HA H 1 3.95 0.03 . 1 . . . . . . . . 4932 1 190 . 1 1 32 32 LYS HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4932 1 191 . 1 1 32 32 LYS HB3 H 1 1.95 0.03 . 2 . . . . . . . . 4932 1 192 . 1 1 32 32 LYS HG2 H 1 1.56 0.03 . 2 . . . . . . . . 4932 1 193 . 1 1 32 32 LYS HG3 H 1 1.37 0.03 . 2 . . . . . . . . 4932 1 194 . 1 1 32 32 LYS HD2 H 1 1.72 0.03 . 1 . . . . . . . . 4932 1 195 . 1 1 32 32 LYS HD3 H 1 1.72 0.03 . 1 . . . . . . . . 4932 1 196 . 1 1 32 32 LYS HE2 H 1 2.95 0.03 . 2 . . . . . . . . 4932 1 197 . 1 1 32 32 LYS HE3 H 1 2.93 0.03 . 2 . . . . . . . . 4932 1 198 . 1 1 33 33 ASN H H 1 8.26 0.03 . 1 . . . . . . . . 4932 1 199 . 1 1 33 33 ASN HA H 1 4.56 0.03 . 1 . . . . . . . . 4932 1 200 . 1 1 33 33 ASN HB2 H 1 3.07 0.03 . 2 . . . . . . . . 4932 1 201 . 1 1 33 33 ASN HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4932 1 202 . 1 1 33 33 ASN HD21 H 1 7.23 0.03 . 2 . . . . . . . . 4932 1 203 . 1 1 33 33 ASN HD22 H 1 6.98 0.03 . 2 . . . . . . . . 4932 1 204 . 1 1 34 34 LEU H H 1 8.56 0.03 . 1 . . . . . . . . 4932 1 205 . 1 1 34 34 LEU HA H 1 3.89 0.03 . 1 . . . . . . . . 4932 1 206 . 1 1 34 34 LEU HB2 H 1 2.18 0.03 . 2 . . . . . . . . 4932 1 207 . 1 1 34 34 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4932 1 208 . 1 1 34 34 LEU HG H 1 1.83 0.03 . 1 . . . . . . . . 4932 1 209 . 1 1 34 34 LEU HD11 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 210 . 1 1 34 34 LEU HD12 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 211 . 1 1 34 34 LEU HD13 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 212 . 1 1 34 34 LEU HD21 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 213 . 1 1 34 34 LEU HD22 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 214 . 1 1 34 34 LEU HD23 H 1 0.99 0.03 . 1 . . . . . . . . 4932 1 215 . 1 1 35 35 HIS H H 1 8.30 0.03 . 1 . . . . . . . . 4932 1 216 . 1 1 35 35 HIS HA H 1 4.33 0.03 . 1 . . . . . . . . 4932 1 217 . 1 1 35 35 HIS HB2 H 1 3.35 0.03 . 2 . . . . . . . . 4932 1 218 . 1 1 35 35 HIS HB3 H 1 3.03 0.03 . 2 . . . . . . . . 4932 1 219 . 1 1 35 35 HIS HD2 H 1 7.10 0.03 . 1 . . . . . . . . 4932 1 220 . 1 1 35 35 HIS HE1 H 1 8.05 0.03 . 1 . . . . . . . . 4932 1 221 . 1 1 36 36 ASN H H 1 7.91 0.03 . 1 . . . . . . . . 4932 1 222 . 1 1 36 36 ASN HA H 1 4.40 0.03 . 1 . . . . . . . . 4932 1 223 . 1 1 36 36 ASN HB2 H 1 3.03 0.03 . 2 . . . . . . . . 4932 1 224 . 1 1 36 36 ASN HB3 H 1 2.95 0.03 . 2 . . . . . . . . 4932 1 225 . 1 1 36 36 ASN HD21 H 1 7.75 0.03 . 2 . . . . . . . . 4932 1 226 . 1 1 36 36 ASN HD22 H 1 6.96 0.03 . 2 . . . . . . . . 4932 1 227 . 1 1 37 37 GLN H H 1 7.97 0.03 . 1 . . . . . . . . 4932 1 228 . 1 1 37 37 GLN HA H 1 4.32 0.03 . 1 . . . . . . . . 4932 1 229 . 1 1 37 37 GLN HB2 H 1 2.19 0.03 . 2 . . . . . . . . 4932 1 230 . 1 1 37 37 GLN HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4932 1 231 . 1 1 37 37 GLN HG2 H 1 2.65 0.03 . 2 . . . . . . . . 4932 1 232 . 1 1 37 37 GLN HG3 H 1 2.49 0.03 . 2 . . . . . . . . 4932 1 233 . 1 1 37 37 GLN HE21 H 1 7.39 0.03 . 2 . . . . . . . . 4932 1 234 . 1 1 37 37 GLN HE22 H 1 6.93 0.03 . 2 . . . . . . . . 4932 1 235 . 1 1 38 38 ALA H H 1 7.99 0.03 . 1 . . . . . . . . 4932 1 236 . 1 1 38 38 ALA HA H 1 4.65 0.03 . 1 . . . . . . . . 4932 1 237 . 1 1 38 38 ALA HB1 H 1 1.18 0.03 . 1 . . . . . . . . 4932 1 238 . 1 1 38 38 ALA HB2 H 1 1.18 0.03 . 1 . . . . . . . . 4932 1 239 . 1 1 38 38 ALA HB3 H 1 1.18 0.03 . 1 . . . . . . . . 4932 1 240 . 1 1 39 39 ARG H H 1 8.30 0.03 . 1 . . . . . . . . 4932 1 241 . 1 1 39 39 ARG HA H 1 4.40 0.03 . 1 . . . . . . . . 4932 1 242 . 1 1 39 39 ARG HB2 H 1 1.88 0.03 . 2 . . . . . . . . 4932 1 243 . 1 1 39 39 ARG HB3 H 1 1.81 0.03 . 2 . . . . . . . . 4932 1 244 . 1 1 39 39 ARG HG2 H 1 1.60 0.03 . 2 . . . . . . . . 4932 1 245 . 1 1 39 39 ARG HG3 H 1 1.53 0.03 . 2 . . . . . . . . 4932 1 246 . 1 1 39 39 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 4932 1 247 . 1 1 39 39 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 4932 1 248 . 1 1 39 39 ARG HE H 1 7.08 0.03 . 1 . . . . . . . . 4932 1 249 . 1 1 40 40 SER H H 1 8.80 0.03 . 1 . . . . . . . . 4932 1 250 . 1 1 40 40 SER HA H 1 4.56 0.03 . 1 . . . . . . . . 4932 1 251 . 1 1 40 40 SER HB2 H 1 4.32 0.03 . 2 . . . . . . . . 4932 1 252 . 1 1 40 40 SER HB3 H 1 4.08 0.03 . 2 . . . . . . . . 4932 1 253 . 1 1 41 41 GLN H H 1 9.15 0.03 . 1 . . . . . . . . 4932 1 254 . 1 1 41 41 GLN HA H 1 3.88 0.03 . 1 . . . . . . . . 4932 1 255 . 1 1 41 41 GLN HB2 H 1 2.31 0.03 . 2 . . . . . . . . 4932 1 256 . 1 1 41 41 GLN HB3 H 1 2.19 0.03 . 2 . . . . . . . . 4932 1 257 . 1 1 41 41 GLN HG2 H 1 2.53 0.03 . 2 . . . . . . . . 4932 1 258 . 1 1 41 41 GLN HG3 H 1 2.33 0.03 . 2 . . . . . . . . 4932 1 259 . 1 1 41 41 GLN HE21 H 1 7.77 0.03 . 2 . . . . . . . . 4932 1 260 . 1 1 41 41 GLN HE22 H 1 6.87 0.03 . 2 . . . . . . . . 4932 1 261 . 1 1 42 42 SER H H 1 8.56 0.03 . 1 . . . . . . . . 4932 1 262 . 1 1 42 42 SER HA H 1 4.20 0.03 . 1 . . . . . . . . 4932 1 263 . 1 1 42 42 SER HB2 H 1 3.92 0.03 . 2 . . . . . . . . 4932 1 264 . 1 1 42 42 SER HB3 H 1 3.88 0.03 . 2 . . . . . . . . 4932 1 265 . 1 1 43 43 ASP H H 1 7.87 0.03 . 1 . . . . . . . . 4932 1 266 . 1 1 43 43 ASP HA H 1 4.54 0.03 . 1 . . . . . . . . 4932 1 267 . 1 1 43 43 ASP HB2 H 1 2.88 0.03 . 2 . . . . . . . . 4932 1 268 . 1 1 43 43 ASP HB3 H 1 2.43 0.03 . 2 . . . . . . . . 4932 1 269 . 1 1 44 44 ARG H H 1 8.68 0.03 . 1 . . . . . . . . 4932 1 270 . 1 1 44 44 ARG HA H 1 4.00 0.03 . 1 . . . . . . . . 4932 1 271 . 1 1 44 44 ARG HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4932 1 272 . 1 1 44 44 ARG HB3 H 1 1.70 0.03 . 2 . . . . . . . . 4932 1 273 . 1 1 44 44 ARG HG2 H 1 1.98 0.03 . 2 . . . . . . . . 4932 1 274 . 1 1 44 44 ARG HG3 H 1 1.70 0.03 . 2 . . . . . . . . 4932 1 275 . 1 1 44 44 ARG HD2 H 1 3.48 0.03 . 2 . . . . . . . . 4932 1 276 . 1 1 44 44 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 4932 1 277 . 1 1 44 44 ARG HE H 1 8.45 0.03 . 1 . . . . . . . . 4932 1 278 . 1 1 44 44 ARG HH11 H 1 6.93 0.03 . 2 . . . . . . . . 4932 1 279 . 1 1 44 44 ARG HH21 H 1 6.93 0.03 . 2 . . . . . . . . 4932 1 280 . 1 1 45 45 GLN H H 1 8.24 0.03 . 1 . . . . . . . . 4932 1 281 . 1 1 45 45 GLN HA H 1 3.78 0.03 . 1 . . . . . . . . 4932 1 282 . 1 1 45 45 GLN HB2 H 1 2.14 0.03 . 2 . . . . . . . . 4932 1 283 . 1 1 45 45 GLN HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4932 1 284 . 1 1 45 45 GLN HG2 H 1 2.60 0.03 . 1 . . . . . . . . 4932 1 285 . 1 1 45 45 GLN HG3 H 1 2.60 0.03 . 1 . . . . . . . . 4932 1 286 . 1 1 45 45 GLN HE21 H 1 7.58 0.03 . 2 . . . . . . . . 4932 1 287 . 1 1 45 45 GLN HE22 H 1 6.66 0.03 . 2 . . . . . . . . 4932 1 288 . 1 1 46 46 SER H H 1 8.14 0.03 . 1 . . . . . . . . 4932 1 289 . 1 1 46 46 SER HA H 1 4.34 0.03 . 1 . . . . . . . . 4932 1 290 . 1 1 46 46 SER HB2 H 1 4.12 0.03 . 2 . . . . . . . . 4932 1 291 . 1 1 46 46 SER HB3 H 1 4.01 0.03 . 2 . . . . . . . . 4932 1 292 . 1 1 47 47 ALA H H 1 8.70 0.03 . 1 . . . . . . . . 4932 1 293 . 1 1 47 47 ALA HA H 1 3.75 0.03 . 1 . . . . . . . . 4932 1 294 . 1 1 47 47 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 4932 1 295 . 1 1 47 47 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 4932 1 296 . 1 1 47 47 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 4932 1 297 . 1 1 48 48 CYS H H 1 7.97 0.03 . 1 . . . . . . . . 4932 1 298 . 1 1 48 48 CYS HA H 1 3.58 0.03 . 1 . . . . . . . . 4932 1 299 . 1 1 48 48 CYS HB2 H 1 3.28 0.03 . 2 . . . . . . . . 4932 1 300 . 1 1 48 48 CYS HB3 H 1 2.08 0.03 . 2 . . . . . . . . 4932 1 301 . 1 1 49 49 ASN H H 1 8.26 0.03 . 1 . . . . . . . . 4932 1 302 . 1 1 49 49 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 4932 1 303 . 1 1 49 49 ASN HB2 H 1 2.91 0.03 . 2 . . . . . . . . 4932 1 304 . 1 1 49 49 ASN HB3 H 1 2.77 0.03 . 2 . . . . . . . . 4932 1 305 . 1 1 49 49 ASN HD21 H 1 7.31 0.03 . 2 . . . . . . . . 4932 1 306 . 1 1 49 49 ASN HD22 H 1 7.15 0.03 . 2 . . . . . . . . 4932 1 307 . 1 1 50 50 CYS H H 1 8.66 0.03 . 1 . . . . . . . . 4932 1 308 . 1 1 50 50 CYS HA H 1 4.60 0.03 . 1 . . . . . . . . 4932 1 309 . 1 1 50 50 CYS HB2 H 1 3.22 0.03 . 2 . . . . . . . . 4932 1 310 . 1 1 50 50 CYS HB3 H 1 3.08 0.03 . 2 . . . . . . . . 4932 1 311 . 1 1 51 51 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 4932 1 312 . 1 1 51 51 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . 4932 1 313 . 1 1 51 51 LEU HB2 H 1 2.12 0.03 . 2 . . . . . . . . 4932 1 314 . 1 1 51 51 LEU HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4932 1 315 . 1 1 51 51 LEU HG H 1 1.90 0.03 . 1 . . . . . . . . 4932 1 316 . 1 1 51 51 LEU HD11 H 1 0.82 0.03 . 2 . . . . . . . . 4932 1 317 . 1 1 51 51 LEU HD12 H 1 0.82 0.03 . 2 . . . . . . . . 4932 1 318 . 1 1 51 51 LEU HD13 H 1 0.82 0.03 . 2 . . . . . . . . 4932 1 319 . 1 1 51 51 LEU HD21 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 320 . 1 1 51 51 LEU HD22 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 321 . 1 1 51 51 LEU HD23 H 1 0.76 0.03 . 2 . . . . . . . . 4932 1 322 . 1 1 52 52 LYS H H 1 8.37 0.03 . 1 . . . . . . . . 4932 1 323 . 1 1 52 52 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 4932 1 324 . 1 1 52 52 LYS HB2 H 1 2.06 0.03 . 2 . . . . . . . . 4932 1 325 . 1 1 52 52 LYS HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4932 1 326 . 1 1 52 52 LYS HG2 H 1 1.91 0.03 . 2 . . . . . . . . 4932 1 327 . 1 1 52 52 LYS HG3 H 1 1.63 0.03 . 2 . . . . . . . . 4932 1 328 . 1 1 52 52 LYS HD2 H 1 1.89 0.03 . 1 . . . . . . . . 4932 1 329 . 1 1 52 52 LYS HD3 H 1 1.89 0.03 . 1 . . . . . . . . 4932 1 330 . 1 1 52 52 LYS HE2 H 1 3.15 0.03 . 2 . . . . . . . . 4932 1 331 . 1 1 52 52 LYS HE3 H 1 3.12 0.03 . 2 . . . . . . . . 4932 1 332 . 1 1 53 53 GLY H H 1 7.86 0.03 . 1 . . . . . . . . 4932 1 333 . 1 1 53 53 GLY HA2 H 1 3.97 0.03 . 2 . . . . . . . . 4932 1 334 . 1 1 53 53 GLY HA3 H 1 3.83 0.03 . 2 . . . . . . . . 4932 1 335 . 1 1 54 54 ILE H H 1 7.77 0.03 . 1 . . . . . . . . 4932 1 336 . 1 1 54 54 ILE HA H 1 3.74 0.03 . 1 . . . . . . . . 4932 1 337 . 1 1 54 54 ILE HB H 1 1.94 0.03 . 1 . . . . . . . . 4932 1 338 . 1 1 54 54 ILE HG12 H 1 1.78 0.03 . 1 . . . . . . . . 4932 1 339 . 1 1 54 54 ILE HG13 H 1 1.13 0.03 . 2 . . . . . . . . 4932 1 340 . 1 1 54 54 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 341 . 1 1 54 54 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 342 . 1 1 54 54 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 343 . 1 1 54 54 ILE HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 344 . 1 1 54 54 ILE HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 345 . 1 1 54 54 ILE HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 346 . 1 1 55 55 ALA H H 1 8.14 0.03 . 1 . . . . . . . . 4932 1 347 . 1 1 55 55 ALA HA H 1 3.69 0.03 . 1 . . . . . . . . 4932 1 348 . 1 1 55 55 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 4932 1 349 . 1 1 55 55 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4932 1 350 . 1 1 55 55 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 4932 1 351 . 1 1 56 56 ARG H H 1 7.74 0.03 . 1 . . . . . . . . 4932 1 352 . 1 1 56 56 ARG HA H 1 3.97 0.03 . 1 . . . . . . . . 4932 1 353 . 1 1 56 56 ARG HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4932 1 354 . 1 1 56 56 ARG HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4932 1 355 . 1 1 56 56 ARG HG2 H 1 1.95 0.03 . 2 . . . . . . . . 4932 1 356 . 1 1 56 56 ARG HG3 H 1 1.75 0.03 . 2 . . . . . . . . 4932 1 357 . 1 1 56 56 ARG HD2 H 1 3.29 0.03 . 2 . . . . . . . . 4932 1 358 . 1 1 56 56 ARG HD3 H 1 3.25 0.03 . 2 . . . . . . . . 4932 1 359 . 1 1 56 56 ARG HE H 1 7.33 0.03 . 1 . . . . . . . . 4932 1 360 . 1 1 57 57 GLY H H 1 7.53 0.03 . 1 . . . . . . . . 4932 1 361 . 1 1 57 57 GLY HA2 H 1 4.29 0.03 . 2 . . . . . . . . 4932 1 362 . 1 1 57 57 GLY HA3 H 1 3.80 0.03 . 2 . . . . . . . . 4932 1 363 . 1 1 58 58 ILE H H 1 7.25 0.03 . 1 . . . . . . . . 4932 1 364 . 1 1 58 58 ILE HA H 1 4.17 0.03 . 1 . . . . . . . . 4932 1 365 . 1 1 58 58 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 4932 1 366 . 1 1 58 58 ILE HG12 H 1 1.62 0.03 . 2 . . . . . . . . 4932 1 367 . 1 1 58 58 ILE HG13 H 1 1.19 0.03 . 2 . . . . . . . . 4932 1 368 . 1 1 58 58 ILE HG21 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 369 . 1 1 58 58 ILE HG22 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 370 . 1 1 58 58 ILE HG23 H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 371 . 1 1 58 58 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . 4932 1 372 . 1 1 58 58 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . 4932 1 373 . 1 1 58 58 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . 4932 1 374 . 1 1 59 59 HIS H H 1 8.74 0.03 . 1 . . . . . . . . 4932 1 375 . 1 1 59 59 HIS HA H 1 4.62 0.03 . 1 . . . . . . . . 4932 1 376 . 1 1 59 59 HIS HB2 H 1 3.22 0.03 . 1 . . . . . . . . 4932 1 377 . 1 1 59 59 HIS HB3 H 1 3.22 0.03 . 1 . . . . . . . . 4932 1 378 . 1 1 59 59 HIS HD2 H 1 7.31 0.03 . 1 . . . . . . . . 4932 1 379 . 1 1 60 60 ASN H H 1 8.65 0.03 . 1 . . . . . . . . 4932 1 380 . 1 1 60 60 ASN HA H 1 4.51 0.03 . 1 . . . . . . . . 4932 1 381 . 1 1 60 60 ASN HB2 H 1 2.88 0.03 . 2 . . . . . . . . 4932 1 382 . 1 1 60 60 ASN HB3 H 1 2.81 0.03 . 2 . . . . . . . . 4932 1 383 . 1 1 60 60 ASN HD21 H 1 7.52 0.03 . 2 . . . . . . . . 4932 1 384 . 1 1 60 60 ASN HD22 H 1 6.82 0.03 . 2 . . . . . . . . 4932 1 385 . 1 1 61 61 LEU H H 1 7.61 0.03 . 1 . . . . . . . . 4932 1 386 . 1 1 61 61 LEU HA H 1 3.87 0.03 . 1 . . . . . . . . 4932 1 387 . 1 1 61 61 LEU HB2 H 1 1.76 0.03 . 2 . . . . . . . . 4932 1 388 . 1 1 61 61 LEU HB3 H 1 1.48 0.03 . 2 . . . . . . . . 4932 1 389 . 1 1 61 61 LEU HG H 1 1.42 0.03 . 1 . . . . . . . . 4932 1 390 . 1 1 61 61 LEU HD11 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 391 . 1 1 61 61 LEU HD12 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 392 . 1 1 61 61 LEU HD13 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 393 . 1 1 61 61 LEU HD21 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 394 . 1 1 61 61 LEU HD22 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 395 . 1 1 61 61 LEU HD23 H 1 0.91 0.03 . 1 . . . . . . . . 4932 1 396 . 1 1 62 62 ASN H H 1 9.04 0.03 . 1 . . . . . . . . 4932 1 397 . 1 1 62 62 ASN HA H 1 4.80 0.03 . 1 . . . . . . . . 4932 1 398 . 1 1 62 62 ASN HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4932 1 399 . 1 1 62 62 ASN HB3 H 1 2.50 0.03 . 2 . . . . . . . . 4932 1 400 . 1 1 62 62 ASN HD21 H 1 7.49 0.03 . 2 . . . . . . . . 4932 1 401 . 1 1 62 62 ASN HD22 H 1 6.87 0.03 . 2 . . . . . . . . 4932 1 402 . 1 1 63 63 GLU H H 1 8.67 0.03 . 1 . . . . . . . . 4932 1 403 . 1 1 63 63 GLU HA H 1 3.98 0.03 . 1 . . . . . . . . 4932 1 404 . 1 1 63 63 GLU HB2 H 1 2.10 0.03 . 2 . . . . . . . . 4932 1 405 . 1 1 63 63 GLU HB3 H 1 1.99 0.03 . 2 . . . . . . . . 4932 1 406 . 1 1 63 63 GLU HG2 H 1 2.38 0.03 . 2 . . . . . . . . 4932 1 407 . 1 1 63 63 GLU HG3 H 1 2.31 0.03 . 2 . . . . . . . . 4932 1 408 . 1 1 64 64 ASP H H 1 8.08 0.03 . 1 . . . . . . . . 4932 1 409 . 1 1 64 64 ASP HA H 1 4.40 0.03 . 1 . . . . . . . . 4932 1 410 . 1 1 64 64 ASP HB2 H 1 2.81 0.03 . 2 . . . . . . . . 4932 1 411 . 1 1 64 64 ASP HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4932 1 412 . 1 1 65 65 ASN H H 1 8.22 0.03 . 1 . . . . . . . . 4932 1 413 . 1 1 65 65 ASN HA H 1 4.16 0.03 . 1 . . . . . . . . 4932 1 414 . 1 1 65 65 ASN HB2 H 1 2.43 0.03 . 2 . . . . . . . . 4932 1 415 . 1 1 65 65 ASN HB3 H 1 1.07 0.03 . 2 . . . . . . . . 4932 1 416 . 1 1 65 65 ASN HD21 H 1 6.97 0.03 . 2 . . . . . . . . 4932 1 417 . 1 1 65 65 ASN HD22 H 1 6.83 0.03 . 2 . . . . . . . . 4932 1 418 . 1 1 66 66 ALA H H 1 8.32 0.03 . 1 . . . . . . . . 4932 1 419 . 1 1 66 66 ALA HA H 1 3.88 0.03 . 1 . . . . . . . . 4932 1 420 . 1 1 66 66 ALA HB1 H 1 1.62 0.03 . 1 . . . . . . . . 4932 1 421 . 1 1 66 66 ALA HB2 H 1 1.62 0.03 . 1 . . . . . . . . 4932 1 422 . 1 1 66 66 ALA HB3 H 1 1.62 0.03 . 1 . . . . . . . . 4932 1 423 . 1 1 67 67 ARG H H 1 8.75 0.03 . 1 . . . . . . . . 4932 1 424 . 1 1 67 67 ARG HA H 1 4.10 0.03 . 1 . . . . . . . . 4932 1 425 . 1 1 67 67 ARG HB2 H 1 2.07 0.03 . 2 . . . . . . . . 4932 1 426 . 1 1 67 67 ARG HB3 H 1 1.98 0.03 . 2 . . . . . . . . 4932 1 427 . 1 1 67 67 ARG HG2 H 1 1.90 0.03 . 2 . . . . . . . . 4932 1 428 . 1 1 67 67 ARG HG3 H 1 1.76 0.03 . 2 . . . . . . . . 4932 1 429 . 1 1 67 67 ARG HD2 H 1 3.25 0.03 . 1 . . . . . . . . 4932 1 430 . 1 1 67 67 ARG HD3 H 1 3.25 0.03 . 1 . . . . . . . . 4932 1 431 . 1 1 67 67 ARG HE H 1 7.45 0.03 . 1 . . . . . . . . 4932 1 432 . 1 1 68 68 SER H H 1 7.72 0.03 . 1 . . . . . . . . 4932 1 433 . 1 1 68 68 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 4932 1 434 . 1 1 68 68 SER HB2 H 1 4.38 0.03 . 2 . . . . . . . . 4932 1 435 . 1 1 68 68 SER HB3 H 1 4.10 0.03 . 2 . . . . . . . . 4932 1 436 . 1 1 69 69 ILE H H 1 7.43 0.03 . 1 . . . . . . . . 4932 1 437 . 1 1 69 69 ILE HA H 1 3.82 0.03 . 1 . . . . . . . . 4932 1 438 . 1 1 69 69 ILE HB H 1 2.16 0.03 . 1 . . . . . . . . 4932 1 439 . 1 1 69 69 ILE HG12 H 1 2.50 0.03 . 2 . . . . . . . . 4932 1 440 . 1 1 69 69 ILE HG13 H 1 1.01 0.03 . 2 . . . . . . . . 4932 1 441 . 1 1 69 69 ILE HG21 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 442 . 1 1 69 69 ILE HG22 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 443 . 1 1 69 69 ILE HG23 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 444 . 1 1 69 69 ILE HD11 H 1 1.10 0.03 . 1 . . . . . . . . 4932 1 445 . 1 1 69 69 ILE HD12 H 1 1.10 0.03 . 1 . . . . . . . . 4932 1 446 . 1 1 69 69 ILE HD13 H 1 1.10 0.03 . 1 . . . . . . . . 4932 1 447 . 1 1 70 70 PRO HA H 1 4.36 0.03 . 1 . . . . . . . . 4932 1 448 . 1 1 70 70 PRO HB2 H 1 2.49 0.03 . 1 . . . . . . . . 4932 1 449 . 1 1 70 70 PRO HB3 H 1 2.36 0.03 . 1 . . . . . . . . 4932 1 450 . 1 1 70 70 PRO HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4932 1 451 . 1 1 70 70 PRO HG3 H 1 1.76 0.03 . 1 . . . . . . . . 4932 1 452 . 1 1 70 70 PRO HD2 H 1 3.77 0.03 . 1 . . . . . . . . 4932 1 453 . 1 1 70 70 PRO HD3 H 1 3.74 0.03 . 1 . . . . . . . . 4932 1 454 . 1 1 71 71 PRO HA H 1 4.45 0.03 . 1 . . . . . . . . 4932 1 455 . 1 1 71 71 PRO HB2 H 1 2.24 0.03 . 2 . . . . . . . . 4932 1 456 . 1 1 71 71 PRO HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4932 1 457 . 1 1 71 71 PRO HG2 H 1 2.44 0.03 . 2 . . . . . . . . 4932 1 458 . 1 1 71 71 PRO HG3 H 1 2.17 0.03 . 2 . . . . . . . . 4932 1 459 . 1 1 71 71 PRO HD2 H 1 3.66 0.03 . 2 . . . . . . . . 4932 1 460 . 1 1 71 71 PRO HD3 H 1 3.63 0.03 . 2 . . . . . . . . 4932 1 461 . 1 1 72 72 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 4932 1 462 . 1 1 72 72 LYS HA H 1 4.17 0.03 . 1 . . . . . . . . 4932 1 463 . 1 1 72 72 LYS HB2 H 1 1.99 0.03 . 2 . . . . . . . . 4932 1 464 . 1 1 72 72 LYS HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4932 1 465 . 1 1 72 72 LYS HG2 H 1 1.68 0.03 . 2 . . . . . . . . 4932 1 466 . 1 1 72 72 LYS HG3 H 1 1.53 0.03 . 2 . . . . . . . . 4932 1 467 . 1 1 72 72 LYS HD2 H 1 1.68 0.03 . 1 . . . . . . . . 4932 1 468 . 1 1 72 72 LYS HD3 H 1 1.68 0.03 . 1 . . . . . . . . 4932 1 469 . 1 1 72 72 LYS HE2 H 1 3.12 0.03 . 2 . . . . . . . . 4932 1 470 . 1 1 72 72 LYS HE3 H 1 3.06 0.03 . 2 . . . . . . . . 4932 1 471 . 1 1 73 73 CYS H H 1 8.29 0.03 . 1 . . . . . . . . 4932 1 472 . 1 1 73 73 CYS HA H 1 4.87 0.03 . 1 . . . . . . . . 4932 1 473 . 1 1 73 73 CYS HB2 H 1 2.95 0.03 . 2 . . . . . . . . 4932 1 474 . 1 1 73 73 CYS HB3 H 1 2.85 0.03 . 2 . . . . . . . . 4932 1 475 . 1 1 74 74 GLY H H 1 7.98 0.03 . 1 . . . . . . . . 4932 1 476 . 1 1 74 74 GLY HA2 H 1 3.97 0.03 . 2 . . . . . . . . 4932 1 477 . 1 1 74 74 GLY HA3 H 1 3.84 0.03 . 2 . . . . . . . . 4932 1 478 . 1 1 75 75 VAL H H 1 8.03 0.03 . 1 . . . . . . . . 4932 1 479 . 1 1 75 75 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 4932 1 480 . 1 1 75 75 VAL HB H 1 1.52 0.03 . 1 . . . . . . . . 4932 1 481 . 1 1 75 75 VAL HG11 H 1 0.68 0.03 . 2 . . . . . . . . 4932 1 482 . 1 1 75 75 VAL HG12 H 1 0.68 0.03 . 2 . . . . . . . . 4932 1 483 . 1 1 75 75 VAL HG13 H 1 0.68 0.03 . 2 . . . . . . . . 4932 1 484 . 1 1 75 75 VAL HG21 H 1 0.67 0.03 . 2 . . . . . . . . 4932 1 485 . 1 1 75 75 VAL HG22 H 1 0.67 0.03 . 2 . . . . . . . . 4932 1 486 . 1 1 75 75 VAL HG23 H 1 0.67 0.03 . 2 . . . . . . . . 4932 1 487 . 1 1 76 76 ASN H H 1 8.55 0.03 . 1 . . . . . . . . 4932 1 488 . 1 1 76 76 ASN HA H 1 4.66 0.03 . 1 . . . . . . . . 4932 1 489 . 1 1 76 76 ASN HB2 H 1 2.82 0.03 . 2 . . . . . . . . 4932 1 490 . 1 1 76 76 ASN HB3 H 1 2.58 0.03 . 2 . . . . . . . . 4932 1 491 . 1 1 76 76 ASN HD21 H 1 7.46 0.03 . 2 . . . . . . . . 4932 1 492 . 1 1 76 76 ASN HD22 H 1 6.81 0.03 . 2 . . . . . . . . 4932 1 493 . 1 1 77 77 LEU H H 1 7.27 0.03 . 1 . . . . . . . . 4932 1 494 . 1 1 77 77 LEU HA H 1 4.54 0.03 . 1 . . . . . . . . 4932 1 495 . 1 1 77 77 LEU HB2 H 1 1.63 0.03 . 2 . . . . . . . . 4932 1 496 . 1 1 77 77 LEU HB3 H 1 0.98 0.03 . 2 . . . . . . . . 4932 1 497 . 1 1 77 77 LEU HG H 1 0.79 0.03 . 1 . . . . . . . . 4932 1 498 . 1 1 77 77 LEU HD11 H 1 0.83 0.03 . 2 . . . . . . . . 4932 1 499 . 1 1 77 77 LEU HD12 H 1 0.83 0.03 . 2 . . . . . . . . 4932 1 500 . 1 1 77 77 LEU HD13 H 1 0.83 0.03 . 2 . . . . . . . . 4932 1 501 . 1 1 77 77 LEU HD21 H 1 0.69 0.03 . 2 . . . . . . . . 4932 1 502 . 1 1 77 77 LEU HD22 H 1 0.69 0.03 . 2 . . . . . . . . 4932 1 503 . 1 1 77 77 LEU HD23 H 1 0.69 0.03 . 2 . . . . . . . . 4932 1 504 . 1 1 78 78 PRO HA H 1 4.66 0.03 . 1 . . . . . . . . 4932 1 505 . 1 1 78 78 PRO HB2 H 1 2.47 0.03 . 2 . . . . . . . . 4932 1 506 . 1 1 78 78 PRO HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4932 1 507 . 1 1 78 78 PRO HG2 H 1 2.31 0.03 . 2 . . . . . . . . 4932 1 508 . 1 1 78 78 PRO HG3 H 1 1.92 0.03 . 2 . . . . . . . . 4932 1 509 . 1 1 78 78 PRO HD2 H 1 3.99 0.03 . 2 . . . . . . . . 4932 1 510 . 1 1 78 78 PRO HD3 H 1 3.36 0.03 . 2 . . . . . . . . 4932 1 511 . 1 1 79 79 TYR H H 1 6.67 0.03 . 1 . . . . . . . . 4932 1 512 . 1 1 79 79 TYR HA H 1 4.69 0.03 . 1 . . . . . . . . 4932 1 513 . 1 1 79 79 TYR HB2 H 1 3.16 0.03 . 2 . . . . . . . . 4932 1 514 . 1 1 79 79 TYR HB3 H 1 3.14 0.03 . 2 . . . . . . . . 4932 1 515 . 1 1 79 79 TYR HD1 H 1 6.72 0.03 . 1 . . . . . . . . 4932 1 516 . 1 1 79 79 TYR HD2 H 1 6.72 0.03 . 1 . . . . . . . . 4932 1 517 . 1 1 79 79 TYR HE1 H 1 6.60 0.03 . 1 . . . . . . . . 4932 1 518 . 1 1 79 79 TYR HE2 H 1 6.60 0.03 . 1 . . . . . . . . 4932 1 519 . 1 1 80 80 THR H H 1 6.80 0.03 . 1 . . . . . . . . 4932 1 520 . 1 1 80 80 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 4932 1 521 . 1 1 80 80 THR HB H 1 4.21 0.03 . 1 . . . . . . . . 4932 1 522 . 1 1 80 80 THR HG21 H 1 0.92 0.03 . 1 . . . . . . . . 4932 1 523 . 1 1 80 80 THR HG22 H 1 0.92 0.03 . 1 . . . . . . . . 4932 1 524 . 1 1 80 80 THR HG23 H 1 0.92 0.03 . 1 . . . . . . . . 4932 1 525 . 1 1 81 81 ILE H H 1 7.99 0.03 . 1 . . . . . . . . 4932 1 526 . 1 1 81 81 ILE HA H 1 3.80 0.03 . 1 . . . . . . . . 4932 1 527 . 1 1 81 81 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . 4932 1 528 . 1 1 81 81 ILE HG12 H 1 1.69 0.03 . 2 . . . . . . . . 4932 1 529 . 1 1 81 81 ILE HG13 H 1 0.97 0.03 . 2 . . . . . . . . 4932 1 530 . 1 1 81 81 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 531 . 1 1 81 81 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 532 . 1 1 81 81 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 533 . 1 1 81 81 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 534 . 1 1 81 81 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 535 . 1 1 81 81 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4932 1 536 . 1 1 82 82 SER H H 1 6.93 0.03 . 1 . . . . . . . . 4932 1 537 . 1 1 82 82 SER HA H 1 4.56 0.03 . 1 . . . . . . . . 4932 1 538 . 1 1 82 82 SER HB2 H 1 3.89 0.03 . 2 . . . . . . . . 4932 1 539 . 1 1 82 82 SER HB3 H 1 3.12 0.03 . 2 . . . . . . . . 4932 1 540 . 1 1 83 83 LEU H H 1 9.10 0.03 . 1 . . . . . . . . 4932 1 541 . 1 1 83 83 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 4932 1 542 . 1 1 83 83 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 4932 1 543 . 1 1 83 83 LEU HB3 H 1 1.61 0.03 . 2 . . . . . . . . 4932 1 544 . 1 1 83 83 LEU HG H 1 1.61 0.03 . 1 . . . . . . . . 4932 1 545 . 1 1 83 83 LEU HD11 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 546 . 1 1 83 83 LEU HD12 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 547 . 1 1 83 83 LEU HD13 H 1 0.97 0.03 . 1 . . . . . . . . 4932 1 548 . 1 1 83 83 LEU HD21 H 1 0.90 0.03 . 1 . . . . . . . . 4932 1 549 . 1 1 83 83 LEU HD22 H 1 0.90 0.03 . 1 . . . . . . . . 4932 1 550 . 1 1 83 83 LEU HD23 H 1 0.90 0.03 . 1 . . . . . . . . 4932 1 551 . 1 1 84 84 ASN H H 1 8.64 0.03 . 1 . . . . . . . . 4932 1 552 . 1 1 84 84 ASN HA H 1 4.89 0.03 . 1 . . . . . . . . 4932 1 553 . 1 1 84 84 ASN HB2 H 1 2.89 0.03 . 2 . . . . . . . . 4932 1 554 . 1 1 84 84 ASN HB3 H 1 2.55 0.03 . 2 . . . . . . . . 4932 1 555 . 1 1 84 84 ASN HD21 H 1 7.52 0.03 . 2 . . . . . . . . 4932 1 556 . 1 1 84 84 ASN HD22 H 1 6.88 0.03 . 2 . . . . . . . . 4932 1 557 . 1 1 85 85 ILE H H 1 7.33 0.03 . 1 . . . . . . . . 4932 1 558 . 1 1 85 85 ILE HA H 1 4.19 0.03 . 1 . . . . . . . . 4932 1 559 . 1 1 85 85 ILE HB H 1 1.84 0.03 . 1 . . . . . . . . 4932 1 560 . 1 1 85 85 ILE HG12 H 1 1.44 0.03 . 2 . . . . . . . . 4932 1 561 . 1 1 85 85 ILE HG13 H 1 1.21 0.03 . 2 . . . . . . . . 4932 1 562 . 1 1 85 85 ILE HG21 H 1 0.93 0.03 . 1 . . . . . . . . 4932 1 563 . 1 1 85 85 ILE HG22 H 1 0.93 0.03 . 1 . . . . . . . . 4932 1 564 . 1 1 85 85 ILE HG23 H 1 0.93 0.03 . 1 . . . . . . . . 4932 1 565 . 1 1 85 85 ILE HD11 H 1 1.08 0.03 . 1 . . . . . . . . 4932 1 566 . 1 1 85 85 ILE HD12 H 1 1.08 0.03 . 1 . . . . . . . . 4932 1 567 . 1 1 85 85 ILE HD13 H 1 1.08 0.03 . 1 . . . . . . . . 4932 1 568 . 1 1 86 86 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 4932 1 569 . 1 1 86 86 ASP HA H 1 4.86 0.03 . 1 . . . . . . . . 4932 1 570 . 1 1 86 86 ASP HB2 H 1 2.94 0.03 . 2 . . . . . . . . 4932 1 571 . 1 1 86 86 ASP HB3 H 1 2.61 0.03 . 2 . . . . . . . . 4932 1 572 . 1 1 87 87 CYS H H 1 8.67 0.03 . 1 . . . . . . . . 4932 1 573 . 1 1 87 87 CYS HA H 1 4.70 0.03 . 1 . . . . . . . . 4932 1 574 . 1 1 87 87 CYS HB2 H 1 3.30 0.03 . 2 . . . . . . . . 4932 1 575 . 1 1 87 87 CYS HB3 H 1 2.86 0.03 . 2 . . . . . . . . 4932 1 576 . 1 1 88 88 SER H H 1 8.59 0.03 . 1 . . . . . . . . 4932 1 577 . 1 1 88 88 SER HA H 1 4.38 0.03 . 1 . . . . . . . . 4932 1 578 . 1 1 88 88 SER HB2 H 1 4.06 0.03 . 2 . . . . . . . . 4932 1 579 . 1 1 88 88 SER HB3 H 1 3.95 0.03 . 2 . . . . . . . . 4932 1 580 . 1 1 89 89 ARG H H 1 7.40 0.03 . 1 . . . . . . . . 4932 1 581 . 1 1 89 89 ARG HA H 1 4.64 0.03 . 1 . . . . . . . . 4932 1 582 . 1 1 89 89 ARG HB2 H 1 2.17 0.03 . 2 . . . . . . . . 4932 1 583 . 1 1 89 89 ARG HB3 H 1 1.66 0.03 . 2 . . . . . . . . 4932 1 584 . 1 1 89 89 ARG HG2 H 1 1.55 0.03 . 1 . . . . . . . . 4932 1 585 . 1 1 89 89 ARG HG3 H 1 1.55 0.03 . 1 . . . . . . . . 4932 1 586 . 1 1 89 89 ARG HD2 H 1 3.21 0.03 . 2 . . . . . . . . 4932 1 587 . 1 1 89 89 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 4932 1 588 . 1 1 89 89 ARG HE H 1 7.13 0.03 . 1 . . . . . . . . 4932 1 589 . 1 1 90 90 VAL H H 1 6.84 0.03 . 1 . . . . . . . . 4932 1 590 . 1 1 90 90 VAL HA H 1 4.30 0.03 . 1 . . . . . . . . 4932 1 591 . 1 1 90 90 VAL HB H 1 2.44 0.03 . 1 . . . . . . . . 4932 1 592 . 1 1 90 90 VAL HG11 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 593 . 1 1 90 90 VAL HG12 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 594 . 1 1 90 90 VAL HG13 H 1 1.10 0.03 . 2 . . . . . . . . 4932 1 595 . 1 1 90 90 VAL HG21 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 596 . 1 1 90 90 VAL HG22 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 597 . 1 1 90 90 VAL HG23 H 1 0.94 0.03 . 2 . . . . . . . . 4932 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4932 _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 500 _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 . 4932 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 6 6 VAL H . . . . 1 1 6 6 VAL HA . . . 4.88 . . 0.19 . . . . . . . . . . . 4932 1 2 3JHNHA . 1 1 7 7 ASP H . . . . 1 1 7 7 ASP HA . . . 3.64 . . 0.09 . . . . . . . . . . . 4932 1 3 3JHNHA . 1 1 8 8 SER H . . . . 1 1 8 8 SER HA . . . 4.16 . . 0.13 . . . . . . . . . . . 4932 1 4 3JHNHA . 1 1 9 9 LEU H . . . . 1 1 9 9 LEU HA . . . 5.44 . . 0.06 . . . . . . . . . . . 4932 1 5 3JHNHA . 1 1 10 10 VAL H . . . . 1 1 10 10 VAL HA . . . 9.46 . . 0.08 . . . . . . . . . . . 4932 1 6 3JHNHA . 1 1 11 11 ARG H . . . . 1 1 11 11 ARG HA . . . 3.55 . . 0.09 . . . . . . . . . . . 4932 1 7 3JHNHA . 1 1 13 13 CYS H . . . . 1 1 13 13 CYS HA . . . 8.80 . . 0.06 . . . . . . . . . . . 4932 1 8 3JHNHA . 1 1 14 14 LEU H . . . . 1 1 14 14 LEU HA . . . 3.66 . . 0.14 . . . . . . . . . . . 4932 1 9 3JHNHA . 1 1 15 15 SER H . . . . 1 1 15 15 SER HA . . . 3.54 . . 0.21 . . . . . . . . . . . 4932 1 10 3JHNHA . 1 1 16 16 TYR H . . . . 1 1 16 16 TYR HA . . . 6.17 . . 0.07 . . . . . . . . . . . 4932 1 11 3JHNHA . 1 1 17 17 VAL H . . . . 1 1 17 17 VAL HA . . . 6.22 . . 0.07 . . . . . . . . . . . 4932 1 12 3JHNHA . 1 1 18 18 GLN H . . . . 1 1 18 18 GLN HA . . . 8.76 . . 0.06 . . . . . . . . . . . 4932 1 13 3JHNHA . 1 1 24 24 SER H . . . . 1 1 24 24 SER HA . . . 4.92 . . 0.10 . . . . . . . . . . . 4932 1 14 3JHNHA . 1 1 26 26 GLN H . . . . 1 1 26 26 GLN HA . . . 4.81 . . 0.06 . . . . . . . . . . . 4932 1 15 3JHNHA . 1 1 27 27 CYS H . . . . 1 1 27 27 CYS HA . . . 5.34 . . 0.07 . . . . . . . . . . . 4932 1 16 3JHNHA . 1 1 28 28 CYS H . . . . 1 1 28 28 CYS HA . . . 3.96 . . 0.13 . . . . . . . . . . . 4932 1 17 3JHNHA . 1 1 29 29 ASP H . . . . 1 1 29 29 ASP HA . . . 4.14 . . 0.11 . . . . . . . . . . . 4932 1 18 3JHNHA . 1 1 31 31 VAL H . . . . 1 1 31 31 VAL HA . . . 5.61 . . 0.06 . . . . . . . . . . . 4932 1 19 3JHNHA . 1 1 32 32 LYS H . . . . 1 1 32 32 LYS HA . . . 4.89 . . 0.08 . . . . . . . . . . . 4932 1 20 3JHNHA . 1 1 33 33 ASN H . . . . 1 1 33 33 ASN HA . . . 5.05 . . 0.07 . . . . . . . . . . . 4932 1 21 3JHNHA . 1 1 34 34 LEU H . . . . 1 1 34 34 LEU HA . . . 3.99 . . 0.16 . . . . . . . . . . . 4932 1 22 3JHNHA . 1 1 35 35 HIS H . . . . 1 1 35 35 HIS HA . . . 3.61 . . 0.17 . . . . . . . . . . . 4932 1 23 3JHNHA . 1 1 36 36 ASN H . . . . 1 1 36 36 ASN HA . . . 5.84 . . 0.08 . . . . . . . . . . . 4932 1 24 3JHNHA . 1 1 37 37 GLN H . . . . 1 1 37 37 GLN HA . . . 8.03 . . 0.06 . . . . . . . . . . . 4932 1 25 3JHNHA . 1 1 38 38 ALA H . . . . 1 1 38 38 ALA HA . . . 8.96 . . 0.07 . . . . . . . . . . . 4932 1 26 3JHNHA . 1 1 39 39 ARG H . . . . 1 1 39 39 ARG HA . . . 9.23 . . 0.06 . . . . . . . . . . . 4932 1 27 3JHNHA . 1 1 40 40 SER H . . . . 1 1 40 40 SER HA . . . 6.58 . . 0.06 . . . . . . . . . . . 4932 1 28 3JHNHA . 1 1 41 41 GLN H . . . . 1 1 41 41 GLN HA . . . 3.86 . . 0.07 . . . . . . . . . . . 4932 1 29 3JHNHA . 1 1 42 42 SER H . . . . 1 1 42 42 SER HA . . . 4.21 . . 0.09 . . . . . . . . . . . 4932 1 30 3JHNHA . 1 1 43 43 ASP H . . . . 1 1 43 43 ASP HA . . . 5.73 . . 0.04 . . . . . . . . . . . 4932 1 31 3JHNHA . 1 1 45 45 GLN H . . . . 1 1 45 45 GLN HA . . . 4.68 . . 0.19 . . . . . . . . . . . 4932 1 32 3JHNHA . 1 1 46 46 SER H . . . . 1 1 46 46 SER HA . . . 4.88 . . 0.13 . . . . . . . . . . . 4932 1 33 3JHNHA . 1 1 47 47 ALA H . . . . 1 1 47 47 ALA HA . . . 3.98 . . 0.10 . . . . . . . . . . . 4932 1 34 3JHNHA . 1 1 48 48 CYS H . . . . 1 1 48 48 CYS HA . . . 3.74 . . 0.07 . . . . . . . . . . . 4932 1 35 3JHNHA . 1 1 49 49 ASN H . . . . 1 1 49 49 ASN HA . . . 4.67 . . 0.10 . . . . . . . . . . . 4932 1 36 3JHNHA . 1 1 51 51 LEU H . . . . 1 1 51 51 LEU HA . . . 4.97 . . 0.13 . . . . . . . . . . . 4932 1 37 3JHNHA . 1 1 52 52 LYS H . . . . 1 1 52 52 LYS HA . . . 4.74 . . 0.15 . . . . . . . . . . . 4932 1 38 3JHNHA . 1 1 54 54 ILE H . . . . 1 1 54 54 ILE HA . . . 6.21 . . 0.13 . . . . . . . . . . . 4932 1 39 3JHNHA . 1 1 55 55 ALA H . . . . 1 1 55 55 ALA HA . . . 3.86 . . 0.16 . . . . . . . . . . . 4932 1 40 3JHNHA . 1 1 56 56 ARG H . . . . 1 1 56 56 ARG HA . . . 3.91 . . 0.15 . . . . . . . . . . . 4932 1 41 3JHNHA . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE HA . . . 9.05 . . 0.05 . . . . . . . . . . . 4932 1 42 3JHNHA . 1 1 59 59 HIS H . . . . 1 1 59 59 HIS HA . . . 6.07 . . 1.81 . . . . . . . . . . . 4932 1 43 3JHNHA . 1 1 60 60 ASN H . . . . 1 1 60 60 ASN HA . . . 8.87 . . 0.07 . . . . . . . . . . . 4932 1 44 3JHNHA . 1 1 61 61 LEU H . . . . 1 1 61 61 LEU HA . . . 5.17 . . 0.06 . . . . . . . . . . . 4932 1 45 3JHNHA . 1 1 62 62 ASN H . . . . 1 1 62 62 ASN HA . . . 8.90 . . 0.06 . . . . . . . . . . . 4932 1 46 3JHNHA . 1 1 63 63 GLU H . . . . 1 1 63 63 GLU HA . . . 4.62 . . 0.09 . . . . . . . . . . . 4932 1 47 3JHNHA . 1 1 64 64 ASP H . . . . 1 1 64 64 ASP HA . . . 5.87 . . 0.05 . . . . . . . . . . . 4932 1 48 3JHNHA . 1 1 65 65 ASN H . . . . 1 1 65 65 ASN HA . . . 5.36 . . 0.05 . . . . . . . . . . . 4932 1 49 3JHNHA . 1 1 66 66 ALA H . . . . 1 1 66 66 ALA HA . . . 3.51 . . 0.21 . . . . . . . . . . . 4932 1 50 3JHNHA . 1 1 67 67 ARG H . . . . 1 1 67 67 ARG HA . . . 4.43 . . 0.14 . . . . . . . . . . . 4932 1 51 3JHNHA . 1 1 68 68 SER H . . . . 1 1 68 68 SER HA . . . 7.19 . . 0.06 . . . . . . . . . . . 4932 1 52 3JHNHA . 1 1 69 69 ILE H . . . . 1 1 69 69 ILE HA . . . 3.68 . . 0.25 . . . . . . . . . . . 4932 1 53 3JHNHA . 1 1 72 72 LYS H . . . . 1 1 72 72 LYS HA . . . 5.77 . . 0.05 . . . . . . . . . . . 4932 1 54 3JHNHA . 1 1 73 73 CYS H . . . . 1 1 73 73 CYS HA . . . 8.13 . . 0.06 . . . . . . . . . . . 4932 1 55 3JHNHA . 1 1 75 75 VAL H . . . . 1 1 75 75 VAL HA . . . 10.10 . . 0.06 . . . . . . . . . . . 4932 1 56 3JHNHA . 1 1 76 76 ASN H . . . . 1 1 76 76 ASN HA . . . 7.77 . . 0.06 . . . . . . . . . . . 4932 1 57 3JHNHA . 1 1 77 77 LEU H . . . . 1 1 77 77 LEU HA . . . 8.39 . . 0.06 . . . . . . . . . . . 4932 1 58 3JHNHA . 1 1 79 79 TYR H . . . . 1 1 79 79 TYR HA . . . 7.41 . . 0.05 . . . . . . . . . . . 4932 1 59 3JHNHA . 1 1 80 80 THR H . . . . 1 1 80 80 THR HA . . . 5.48 . . 0.13 . . . . . . . . . . . 4932 1 60 3JHNHA . 1 1 81 81 ILE H . . . . 1 1 81 81 ILE HA . . . 8.66 . . 0.12 . . . . . . . . . . . 4932 1 61 3JHNHA . 1 1 82 82 SER H . . . . 1 1 82 82 SER HA . . . 8.57 . . 0.07 . . . . . . . . . . . 4932 1 62 3JHNHA . 1 1 83 83 LEU H . . . . 1 1 83 83 LEU HA . . . 7.79 . . 0.07 . . . . . . . . . . . 4932 1 63 3JHNHA . 1 1 84 84 ASN H . . . . 1 1 84 84 ASN HA . . . 9.51 . . 0.07 . . . . . . . . . . . 4932 1 64 3JHNHA . 1 1 85 85 ILE H . . . . 1 1 85 85 ILE HA . . . 7.84 . . 0.06 . . . . . . . . . . . 4932 1 65 3JHNHA . 1 1 86 86 ASP H . . . . 1 1 86 86 ASP HA . . . 9.22 . . 0.06 . . . . . . . . . . . 4932 1 66 3JHNHA . 1 1 87 87 CYS H . . . . 1 1 87 87 CYS HA . . . 6.04 . . 0.10 . . . . . . . . . . . 4932 1 67 3JHNHA . 1 1 88 88 SER H . . . . 1 1 88 88 SER HA . . . 7.23 . . 0.06 . . . . . . . . . . . 4932 1 68 3JHNHA . 1 1 89 89 ARG H . . . . 1 1 89 89 ARG HA . . . 10.32 . . 0.05 . . . . . . . . . . . 4932 1 69 3JHNHA . 1 1 90 90 VAL H . . . . 1 1 90 90 VAL HA . . . 9.49 . . 0.05 . . . . . . . . . . . 4932 1 stop_ save_