data_4833 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4833 _Entry.Title ; 1H, 13C, and 15N assignments for the Antifungal protein from Streptomyces tendae Tu901 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-18 _Entry.Accession_date 2000-09-18 _Entry.Last_release_date 2001-07-11 _Entry.Original_release_date 2001-07-11 _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 Ramon Campos-Olivas . . . 4833 2 Ingmar Horr . . . 4833 3 Christiane Bormann . . . 4833 4 Guenther Jung . . . 4833 5 Angela Gronenborn . . . 4833 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4833 coupling_constants 1 4833 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 597 4833 '13C chemical shifts' 376 4833 '15N chemical shifts' 97 4833 'coupling constants' 68 4833 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 . . 2001-07-11 2000-09-18 original author . 4833 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4833 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21248995 _Citation.DOI . _Citation.PubMed_ID 11350173 _Citation.Full_citation . _Citation.Title ; Solution Structure, Backbone Dynamics and Chitin Binding of the Anti-fungal Protein from Streptomyces tendae Tu901 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 308 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 765 _Citation.Page_last 782 _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 Ramon Campos-Olivas . . . 4833 1 2 Ingmar Horr . . . 4833 1 3 Christiane Bormann . . . 4833 1 4 Guenther Jung . . . 4833 1 5 Angela Gronenborn . M. . 4833 1 stop_ save_ save_ref1 _Citation.Sf_category citations _Citation.Sf_framecode ref1 _Citation.Entry_ID 4833 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10601197 _Citation.Full_citation ; Bormann C, Baier D, Horr I, Raps C, Berger J, Jung G, Schwarz H. Characterization of a novel, antifungal, chitin-binding protein from Streptomyces tendae Tu901 that interferes with growth polarity. J Bacteriol. 1999 Dec; 181(24):7421-9. ; _Citation.Title 'Characterization of a novel, antifungal, chitin-binding protein from Streptomyces tendae Tu901 that interferes with growth polarity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full 'Journal of bacteriology' _Citation.Journal_volume 181 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9193 _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 7421 _Citation.Page_last 7429 _Citation.Year 1999 _Citation.Details ; The afp1 gene, which encodes the antifungal protein AFP1, was cloned from nikkomycin-producing Streptomyces tendae Tu901, using a nikkomycin-negative mutant as a host and screening transformants for antifungal activity against Paecilomyces variotii in agar diffusion assays. The 384-bp afp1 gene has a low G+C content (63%) and a transcription termination structure with a poly(T) region, unusual attributes for Streptomyces genes. AFP1 was purified from culture filtrate of S. tendae carrying the afp1 gene on the multicopy plasmid pIJ699. The purified protein had a molecular mass of 9,862 Da and lacked a 42-residue N-terminal peptide deduced from the nucleotide sequence. AFP1 was stable at extreme pH values and high temperatures and toward commercial proteinases. AFP1 had limited similarity to cellulose-binding domains of microbial plant cell wall hydrolases and bound to crab shell chitin, chitosan, and cell walls of P. variotii but showed no enzyme activity. The biological activity of AFP1, which represents the first chitin-binding protein from bacteria exhibiting antifungal activity, was directed against specific ascomycetes, and synergistic interaction with the chitin synthetase inhibitor nikkomycin inhibited growth of Aspergillus species. Microscopy studies revealed that fluorescein-labeled AFP1 strongly bound to the surface of germinated conidia and to tips of growing hyphae, causing severe alterations in cell morphogenesis that gave rise to large spherical conidia and/or swollen hyphae and to atypical branching. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C Bormann C. . . 4833 2 2 D Baier D. . . 4833 2 3 I Horr I. . . 4833 2 4 C Raps C. . . 4833 2 5 J Berger J. . . 4833 2 6 G Jung G. . . 4833 2 7 H Schwarz H. . . 4833 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AFP-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AFP-1 _Assembly.Entry_ID 4833 _Assembly.ID 1 _Assembly.Name 'Antifungal protein from Streptomyces tendae Tu901' _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 4833 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 'AFP-1 monomer' 1 $AFP-1 . . . native . . . . . 4833 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 disulphide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 25 25 SG . . . . . . . . . . 4833 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Antifungal protein from Streptomyces tendae Tu901' system 4833 1 AFP-1 abbreviation 4833 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Antifungal protein' 4833 1 'Chitin-binding protein' 4833 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AFP-1 _Entity.Sf_category entity _Entity.Sf_framecode AFP-1 _Entity.Entry_ID 4833 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Antifungal protein from Streptomyces tendae Tu901' _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 ; MINRTDCNENSYLEIHNNEG RDTLCFANAGTMPVAIYGVN WVESGNNVVTLQFQRNLSDP RLETITLQKWGSWNPGHIHE ILSIRIY ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9999.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The mature, wild-type protein contains only residues 2-87. The N-terminal methionine included in the system studied here is a cloning artifact. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . EMBL CAB63113 . 'antifungal protein [Streptomyces tendae]' . . . . . 98.85 128 100.00 100.00 8.04e-46 . . . . 4833 1 . . PDB 1GH5 . 'Antifungal Protein From Streptomyces Tendae Tu901, Nmr Average Structure' . . . . . 97.70 87 100.00 100.00 3.08e-43 . . . . 4833 1 . . PDB 1G6E . 'Antifungal Protein From Streptomyces Tendae Tu901, 30- Conformers Ensemble' . . . . . 97.70 87 100.00 100.00 3.08e-43 . . . . 4833 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Antifungal protein from Streptomyces tendae Tu901' common 4833 1 AFP-1 abbreviation 4833 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 . MET . 4833 1 2 . ILE . 4833 1 3 . ASN . 4833 1 4 . ARG . 4833 1 5 . THR . 4833 1 6 . ASP . 4833 1 7 . CYS . 4833 1 8 . ASN . 4833 1 9 . GLU . 4833 1 10 . ASN . 4833 1 11 . SER . 4833 1 12 . TYR . 4833 1 13 . LEU . 4833 1 14 . GLU . 4833 1 15 . ILE . 4833 1 16 . HIS . 4833 1 17 . ASN . 4833 1 18 . ASN . 4833 1 19 . GLU . 4833 1 20 . GLY . 4833 1 21 . ARG . 4833 1 22 . ASP . 4833 1 23 . THR . 4833 1 24 . LEU . 4833 1 25 . CYS . 4833 1 26 . PHE . 4833 1 27 . ALA . 4833 1 28 . ASN . 4833 1 29 . ALA . 4833 1 30 . GLY . 4833 1 31 . THR . 4833 1 32 . MET . 4833 1 33 . PRO . 4833 1 34 . VAL . 4833 1 35 . ALA . 4833 1 36 . ILE . 4833 1 37 . TYR . 4833 1 38 . GLY . 4833 1 39 . VAL . 4833 1 40 . ASN . 4833 1 41 . TRP . 4833 1 42 . VAL . 4833 1 43 . GLU . 4833 1 44 . SER . 4833 1 45 . GLY . 4833 1 46 . ASN . 4833 1 47 . ASN . 4833 1 48 . VAL . 4833 1 49 . VAL . 4833 1 50 . THR . 4833 1 51 . LEU . 4833 1 52 . GLN . 4833 1 53 . PHE . 4833 1 54 . GLN . 4833 1 55 . ARG . 4833 1 56 . ASN . 4833 1 57 . LEU . 4833 1 58 . SER . 4833 1 59 . ASP . 4833 1 60 . PRO . 4833 1 61 . ARG . 4833 1 62 . LEU . 4833 1 63 . GLU . 4833 1 64 . THR . 4833 1 65 . ILE . 4833 1 66 . THR . 4833 1 67 . LEU . 4833 1 68 . GLN . 4833 1 69 . LYS . 4833 1 70 . TRP . 4833 1 71 . GLY . 4833 1 72 . SER . 4833 1 73 . TRP . 4833 1 74 . ASN . 4833 1 75 . PRO . 4833 1 76 . GLY . 4833 1 77 . HIS . 4833 1 78 . ILE . 4833 1 79 . HIS . 4833 1 80 . GLU . 4833 1 81 . ILE . 4833 1 82 . LEU . 4833 1 83 . SER . 4833 1 84 . ILE . 4833 1 85 . ARG . 4833 1 86 . ILE . 4833 1 87 . TYR . 4833 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 . MET 1 1 4833 1 . ILE 2 2 4833 1 . ASN 3 3 4833 1 . ARG 4 4 4833 1 . THR 5 5 4833 1 . ASP 6 6 4833 1 . CYS 7 7 4833 1 . ASN 8 8 4833 1 . GLU 9 9 4833 1 . ASN 10 10 4833 1 . SER 11 11 4833 1 . TYR 12 12 4833 1 . LEU 13 13 4833 1 . GLU 14 14 4833 1 . ILE 15 15 4833 1 . HIS 16 16 4833 1 . ASN 17 17 4833 1 . ASN 18 18 4833 1 . GLU 19 19 4833 1 . GLY 20 20 4833 1 . ARG 21 21 4833 1 . ASP 22 22 4833 1 . THR 23 23 4833 1 . LEU 24 24 4833 1 . CYS 25 25 4833 1 . PHE 26 26 4833 1 . ALA 27 27 4833 1 . ASN 28 28 4833 1 . ALA 29 29 4833 1 . GLY 30 30 4833 1 . THR 31 31 4833 1 . MET 32 32 4833 1 . PRO 33 33 4833 1 . VAL 34 34 4833 1 . ALA 35 35 4833 1 . ILE 36 36 4833 1 . TYR 37 37 4833 1 . GLY 38 38 4833 1 . VAL 39 39 4833 1 . ASN 40 40 4833 1 . TRP 41 41 4833 1 . VAL 42 42 4833 1 . GLU 43 43 4833 1 . SER 44 44 4833 1 . GLY 45 45 4833 1 . ASN 46 46 4833 1 . ASN 47 47 4833 1 . VAL 48 48 4833 1 . VAL 49 49 4833 1 . THR 50 50 4833 1 . LEU 51 51 4833 1 . GLN 52 52 4833 1 . PHE 53 53 4833 1 . GLN 54 54 4833 1 . ARG 55 55 4833 1 . ASN 56 56 4833 1 . LEU 57 57 4833 1 . SER 58 58 4833 1 . ASP 59 59 4833 1 . PRO 60 60 4833 1 . ARG 61 61 4833 1 . LEU 62 62 4833 1 . GLU 63 63 4833 1 . THR 64 64 4833 1 . ILE 65 65 4833 1 . THR 66 66 4833 1 . LEU 67 67 4833 1 . GLN 68 68 4833 1 . LYS 69 69 4833 1 . TRP 70 70 4833 1 . GLY 71 71 4833 1 . SER 72 72 4833 1 . TRP 73 73 4833 1 . ASN 74 74 4833 1 . PRO 75 75 4833 1 . GLY 76 76 4833 1 . HIS 77 77 4833 1 . ILE 78 78 4833 1 . HIS 79 79 4833 1 . GLU 80 80 4833 1 . ILE 81 81 4833 1 . LEU 82 82 4833 1 . SER 83 83 4833 1 . ILE 84 84 4833 1 . ARG 85 85 4833 1 . ILE 86 86 4833 1 . TYR 87 87 4833 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 4833 _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 $AFP-1 . 1932 . . 'Streptomyces tendae' . . . Eubacteria . Streptomyces tendae Tu901 . . . . . . . . . . . . . . . afp1 . . . . 4833 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 4833 _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 $AFP-1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pET-11a . . . . . . 4833 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4833 _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 'Antifungal protein from Streptomyces tendae Tu901' '[U-99% 15N; U-10% 13C]' . . 1 $AFP-1 . . . 0.5 0.8 mM . . . . 4833 1 2 phosphate . . . . . . . 20 . . mM . . . . 4833 1 3 NaCl . . . . . . . 0.1 . . M . . . . 4833 1 4 EDTA . . . . . . . 20 . . uM . . . . 4833 1 5 NaN3 . . . . . . . 0.01 . . % . . . . 4833 1 6 D2O . . . . . . . 8.3 . . % . . . . 4833 1 7 H2O . . . . . . . 91.7 . . % . . . . 4833 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4833 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Antifungal protein from Streptomyces tendae Tu901' '[U-99% 15N; U-13C]' . . 1 $AFP-1 . . . 0.5 0.8 mM . . . . 4833 2 2 phosphate . . . . . . . 20 . . mM . . . . 4833 2 3 NaCl . . . . . . . 0.1 . . M . . . . 4833 2 4 EDTA . . . . . . . 20 . . uM . . . . 4833 2 5 NaN3 . . . . . . . 0.01 . . % . . . . 4833 2 6 D2O . . . . . . . 8.3 . . % . . . . 4833 2 7 H2O . . . . . . . 91.7 . . % . . . . 4833 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4833 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Antifungal protein from Streptomyces tendae Tu901' '[U-99% 15N; U-10% 13C]' . . 1 $AFP-1 . . . 0.5 0.8 mM . . . . 4833 3 2 phosphate . . . . . . . 20 . . mM . . . . 4833 3 3 NaCl . . . . . . . 0.1 . . M . . . . 4833 3 4 EDTA . . . . . . . 20 . . uM . . . . 4833 3 5 NaN3 . . . . . . . 0.01 . . % . . . . 4833 3 6 D2O . . . . . . . 100 . . % . . . . 4833 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4833 _Sample.ID 4 _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 'Antifungal protein from Streptomyces tendae Tu901' '[U-99% 15N; U-13C]' . . 1 $AFP-1 . . . 0.5 0.8 mM . . . . 4833 4 2 phosphate . . . . . . . 20 . . mM . . . . 4833 4 3 NaCl . . . . . . . 0.1 . . M . . . . 4833 4 4 EDTA . . . . . . . 20 . . uM . . . . 4833 4 5 NaN3 . . . . . . . 0.01 . . % . . . . 4833 4 6 D2O . . . . . . . 100 . . % . . . . 4833 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4833 _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 8.0 0.1 n/a 4833 1 temperature 293 0.1 K 4833 1 'ionic strength' 0.32 0.01 M 4833 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4833 _Software.ID 1 _Software.Name NMRView _Software.Version 4.1.1. _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4833 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4833 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4833 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 4833 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4833 _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_1 Bruker DMX . 500 . . . 4833 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 4833 1 3 NMR_spectrometer_3 Bruker DMX . 750 . . . 4833 1 4 NMR_spectrometer_4 Bruker DRX . 800 . . . 4833 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 4833 _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-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 3 '2D 1H-13C HSQC/HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 4 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 6 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 7 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 8 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 9 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 10 '4D 13C,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4833 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-13C HSQC/HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4833 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '4D 13C,13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 4833 _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 H2O proton . . . . ppm 4.821 internal direct . internal . . . . . . . . 4833 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4833 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4833 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_CS_afp1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CS_afp1 _Assigned_chem_shift_list.Entry_ID 4833 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4833 1 . . 2 $sample_2 . 4833 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 MET CA C 13 54.99 0.05 . 1 . . . . . . . . 4833 1 2 . 1 1 1 1 MET HA H 1 3.86 0.02 . 1 . . . . . . . . 4833 1 3 . 1 1 1 1 MET CB C 13 34.58 0.05 . 1 . . . . . . . . 4833 1 4 . 1 1 1 1 MET HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4833 1 5 . 1 1 1 1 MET CG C 13 31.71 0.05 . 1 . . . . . . . . 4833 1 6 . 1 1 1 1 MET HG3 H 1 2.70 0.02 . 2 . . . . . . . . 4833 1 7 . 1 1 1 1 MET HG2 H 1 2.77 0.02 . 2 . . . . . . . . 4833 1 8 . 1 1 1 1 MET CE C 13 16.65 0.05 . 1 . . . . . . . . 4833 1 9 . 1 1 1 1 MET HE1 H 1 2.18 0.02 . 1 . . . . . . . . 4833 1 10 . 1 1 1 1 MET HE2 H 1 2.18 0.02 . 1 . . . . . . . . 4833 1 11 . 1 1 1 1 MET HE3 H 1 2.18 0.02 . 1 . . . . . . . . 4833 1 12 . 1 1 1 1 MET C C 13 176.82 0.05 . 1 . . . . . . . . 4833 1 13 . 1 1 2 2 ILE N N 15 125.17 0.02 . 1 . . . . . . . . 4833 1 14 . 1 1 2 2 ILE H H 1 7.19 0.02 . 1 . . . . . . . . 4833 1 15 . 1 1 2 2 ILE CA C 13 60.40 0.05 . 1 . . . . . . . . 4833 1 16 . 1 1 2 2 ILE HA H 1 4.60 0.02 . 1 . . . . . . . . 4833 1 17 . 1 1 2 2 ILE CB C 13 37.88 0.05 . 1 . . . . . . . . 4833 1 18 . 1 1 2 2 ILE HB H 1 1.51 0.02 . 1 . . . . . . . . 4833 1 19 . 1 1 2 2 ILE CG1 C 13 28.22 0.05 . 1 . . . . . . . . 4833 1 20 . 1 1 2 2 ILE HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4833 1 21 . 1 1 2 2 ILE HG13 H 1 1.65 0.02 . 2 . . . . . . . . 4833 1 22 . 1 1 2 2 ILE CD1 C 13 14.71 0.05 . 1 . . . . . . . . 4833 1 23 . 1 1 2 2 ILE HD11 H 1 0.58 0.02 . 1 . . . . . . . . 4833 1 24 . 1 1 2 2 ILE HD12 H 1 0.58 0.02 . 1 . . . . . . . . 4833 1 25 . 1 1 2 2 ILE HD13 H 1 0.58 0.02 . 1 . . . . . . . . 4833 1 26 . 1 1 2 2 ILE CG2 C 13 15.02 0.05 . 1 . . . . . . . . 4833 1 27 . 1 1 2 2 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 4833 1 28 . 1 1 2 2 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 4833 1 29 . 1 1 2 2 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 4833 1 30 . 1 1 2 2 ILE C C 13 173.40 0.05 . 1 . . . . . . . . 4833 1 31 . 1 1 3 3 ASN N N 15 120.34 0.02 . 1 . . . . . . . . 4833 1 32 . 1 1 3 3 ASN H H 1 8.75 0.02 . 1 . . . . . . . . 4833 1 33 . 1 1 3 3 ASN CA C 13 51.60 0.05 . 1 . . . . . . . . 4833 1 34 . 1 1 3 3 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 4833 1 35 . 1 1 3 3 ASN CB C 13 41.45 0.05 . 1 . . . . . . . . 4833 1 36 . 1 1 3 3 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4833 1 37 . 1 1 3 3 ASN HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4833 1 38 . 1 1 3 3 ASN CG C 13 177.02 0.05 . 1 . . . . . . . . 4833 1 39 . 1 1 3 3 ASN ND2 N 15 111.87 0.02 . 1 . . . . . . . . 4833 1 40 . 1 1 3 3 ASN HD21 H 1 7.31 0.02 . 1 . . . . . . . . 4833 1 41 . 1 1 3 3 ASN HD22 H 1 6.93 0.02 . 1 . . . . . . . . 4833 1 42 . 1 1 3 3 ASN C C 13 174.34 0.05 . 1 . . . . . . . . 4833 1 43 . 1 1 4 4 ARG N N 15 122.76 0.02 . 1 . . . . . . . . 4833 1 44 . 1 1 4 4 ARG H H 1 8.53 0.02 . 1 . . . . . . . . 4833 1 45 . 1 1 4 4 ARG CA C 13 55.32 0.05 . 1 . . . . . . . . 4833 1 46 . 1 1 4 4 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 4833 1 47 . 1 1 4 4 ARG CB C 13 29.84 0.05 . 1 . . . . . . . . 4833 1 48 . 1 1 4 4 ARG HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4833 1 49 . 1 1 4 4 ARG HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4833 1 50 . 1 1 4 4 ARG CG C 13 26.25 0.05 . 1 . . . . . . . . 4833 1 51 . 1 1 4 4 ARG HG2 H 1 1.31 0.02 . 2 . . . . . . . . 4833 1 52 . 1 1 4 4 ARG CD C 13 42.75 0.05 . 1 . . . . . . . . 4833 1 53 . 1 1 4 4 ARG HD3 H 1 2.82 0.02 . 2 . . . . . . . . 4833 1 54 . 1 1 4 4 ARG HD2 H 1 2.87 0.02 . 2 . . . . . . . . 4833 1 55 . 1 1 4 4 ARG C C 13 175.24 0.05 . 1 . . . . . . . . 4833 1 56 . 1 1 5 5 THR N N 15 120.83 0.02 . 1 . . . . . . . . 4833 1 57 . 1 1 5 5 THR H H 1 8.12 0.02 . 1 . . . . . . . . 4833 1 58 . 1 1 5 5 THR CA C 13 58.78 0.05 . 1 . . . . . . . . 4833 1 59 . 1 1 5 5 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 4833 1 60 . 1 1 5 5 THR CB C 13 70.38 0.05 . 1 . . . . . . . . 4833 1 61 . 1 1 5 5 THR HB H 1 3.51 0.02 . 1 . . . . . . . . 4833 1 62 . 1 1 5 5 THR CG2 C 13 18.68 0.05 . 1 . . . . . . . . 4833 1 63 . 1 1 5 5 THR HG21 H 1 0.16 0.02 . 1 . . . . . . . . 4833 1 64 . 1 1 5 5 THR HG22 H 1 0.16 0.02 . 1 . . . . . . . . 4833 1 65 . 1 1 5 5 THR HG23 H 1 0.16 0.02 . 1 . . . . . . . . 4833 1 66 . 1 1 5 5 THR C C 13 181.43 0.05 . 1 . . . . . . . . 4833 1 67 . 1 1 6 6 ASP N N 15 124.31 0.02 . 1 . . . . . . . . 4833 1 68 . 1 1 6 6 ASP H H 1 8.13 0.02 . 1 . . . . . . . . 4833 1 69 . 1 1 6 6 ASP CA C 13 54.63 0.05 . 1 . . . . . . . . 4833 1 70 . 1 1 6 6 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 4833 1 71 . 1 1 6 6 ASP CB C 13 40.68 0.05 . 1 . . . . . . . . 4833 1 72 . 1 1 6 6 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4833 1 73 . 1 1 6 6 ASP HB2 H 1 2.60 0.02 . 2 . . . . . . . . 4833 1 74 . 1 1 7 7 CYS CA C 13 53.49 0.05 . 1 . . . . . . . . 4833 1 75 . 1 1 7 7 CYS HA H 1 4.83 0.02 . 1 . . . . . . . . 4833 1 76 . 1 1 7 7 CYS CB C 13 39.77 0.05 . 1 . . . . . . . . 4833 1 77 . 1 1 7 7 CYS HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4833 1 78 . 1 1 7 7 CYS HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4833 1 79 . 1 1 7 7 CYS C C 13 175.23 0.05 . 1 . . . . . . . . 4833 1 80 . 1 1 8 8 ASN N N 15 120.14 0.02 . 1 . . . . . . . . 4833 1 81 . 1 1 8 8 ASN H H 1 8.48 0.02 . 1 . . . . . . . . 4833 1 82 . 1 1 8 8 ASN CA C 13 52.78 0.05 . 1 . . . . . . . . 4833 1 83 . 1 1 8 8 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . 4833 1 84 . 1 1 8 8 ASN CB C 13 38.13 0.05 . 1 . . . . . . . . 4833 1 85 . 1 1 8 8 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4833 1 86 . 1 1 8 8 ASN HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4833 1 87 . 1 1 8 8 ASN CG C 13 176.52 0.05 . 1 . . . . . . . . 4833 1 88 . 1 1 8 8 ASN ND2 N 15 111.94 0.02 . 1 . . . . . . . . 4833 1 89 . 1 1 8 8 ASN HD21 H 1 7.65 0.02 . 1 . . . . . . . . 4833 1 90 . 1 1 8 8 ASN HD22 H 1 7.04 0.02 . 1 . . . . . . . . 4833 1 91 . 1 1 8 8 ASN C C 13 174.34 0.05 . 1 . . . . . . . . 4833 1 92 . 1 1 9 9 GLU N N 15 116.64 0.02 . 1 . . . . . . . . 4833 1 93 . 1 1 9 9 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 4833 1 94 . 1 1 9 9 GLU CA C 13 55.24 0.05 . 1 . . . . . . . . 4833 1 95 . 1 1 9 9 GLU HA H 1 4.50 0.02 . 1 . . . . . . . . 4833 1 96 . 1 1 9 9 GLU CB C 13 31.63 0.05 . 1 . . . . . . . . 4833 1 97 . 1 1 9 9 GLU HB3 H 1 1.26 0.02 . 2 . . . . . . . . 4833 1 98 . 1 1 9 9 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4833 1 99 . 1 1 9 9 GLU CG C 13 35.70 0.05 . 1 . . . . . . . . 4833 1 100 . 1 1 9 9 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 4833 1 101 . 1 1 9 9 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 4833 1 102 . 1 1 10 10 ASN CA C 13 53.47 0.05 . 1 . . . . . . . . 4833 1 103 . 1 1 10 10 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 4833 1 104 . 1 1 10 10 ASN CB C 13 38.53 0.05 . 1 . . . . . . . . 4833 1 105 . 1 1 10 10 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4833 1 106 . 1 1 10 10 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4833 1 107 . 1 1 10 10 ASN ND2 N 15 115.24 0.02 . 1 . . . . . . . . 4833 1 108 . 1 1 10 10 ASN HD21 H 1 8.09 0.02 . 1 . . . . . . . . 4833 1 109 . 1 1 10 10 ASN HD22 H 1 7.18 0.02 . 1 . . . . . . . . 4833 1 110 . 1 1 11 11 SER CA C 13 57.78 0.05 . 1 . . . . . . . . 4833 1 111 . 1 1 11 11 SER HA H 1 4.58 0.02 . 1 . . . . . . . . 4833 1 112 . 1 1 11 11 SER CB C 13 63.24 0.05 . 1 . . . . . . . . 4833 1 113 . 1 1 11 11 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 4833 1 114 . 1 1 11 11 SER HB2 H 1 4.09 0.02 . 2 . . . . . . . . 4833 1 115 . 1 1 11 11 SER C C 13 175.23 0.05 . 1 . . . . . . . . 4833 1 116 . 1 1 12 12 TYR N N 15 123.64 0.02 . 1 . . . . . . . . 4833 1 117 . 1 1 12 12 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 4833 1 118 . 1 1 12 12 TYR CA C 13 55.10 0.05 . 1 . . . . . . . . 4833 1 119 . 1 1 12 12 TYR HA H 1 4.99 0.02 . 1 . . . . . . . . 4833 1 120 . 1 1 12 12 TYR CB C 13 37.08 0.05 . 1 . . . . . . . . 4833 1 121 . 1 1 12 12 TYR HB2 H 1 2.96 0.02 . 1 . . . . . . . . 4833 1 122 . 1 1 12 12 TYR HB3 H 1 3.38 0.02 . 1 . . . . . . . . 4833 1 123 . 1 1 12 12 TYR CD1 C 13 131.64 0.05 . 3 . . . . . . . . 4833 1 124 . 1 1 12 12 TYR HD1 H 1 7.22 0.02 . 3 . . . . . . . . 4833 1 125 . 1 1 12 12 TYR CE1 C 13 118.75 0.05 . 3 . . . . . . . . 4833 1 126 . 1 1 12 12 TYR HE1 H 1 6.99 0.02 . 3 . . . . . . . . 4833 1 127 . 1 1 12 12 TYR C C 13 175.32 0.05 . 1 . . . . . . . . 4833 1 128 . 1 1 13 13 LEU N N 15 119.81 0.02 . 1 . . . . . . . . 4833 1 129 . 1 1 13 13 LEU H H 1 7.39 0.02 . 1 . . . . . . . . 4833 1 130 . 1 1 13 13 LEU CA C 13 55.33 0.05 . 1 . . . . . . . . 4833 1 131 . 1 1 13 13 LEU HA H 1 4.67 0.02 . 1 . . . . . . . . 4833 1 132 . 1 1 13 13 LEU CB C 13 41.42 0.05 . 1 . . . . . . . . 4833 1 133 . 1 1 13 13 LEU HB3 H 1 1.28 0.02 . 2 . . . . . . . . 4833 1 134 . 1 1 13 13 LEU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4833 1 135 . 1 1 13 13 LEU CG C 13 28.08 0.05 . 1 . . . . . . . . 4833 1 136 . 1 1 13 13 LEU HG H 1 0.77 0.02 . 1 . . . . . . . . 4833 1 137 . 1 1 13 13 LEU CD1 C 13 25.28 0.05 . 1 . . . . . . . . 4833 1 138 . 1 1 13 13 LEU HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 139 . 1 1 13 13 LEU HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 140 . 1 1 13 13 LEU HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 141 . 1 1 13 13 LEU CD2 C 13 28.00 0.05 . 1 . . . . . . . . 4833 1 142 . 1 1 13 13 LEU HD21 H 1 0.73 0.02 . 1 . . . . . . . . 4833 1 143 . 1 1 13 13 LEU HD22 H 1 0.73 0.02 . 1 . . . . . . . . 4833 1 144 . 1 1 13 13 LEU HD23 H 1 0.73 0.02 . 1 . . . . . . . . 4833 1 145 . 1 1 13 13 LEU C C 13 175.15 0.05 . 1 . . . . . . . . 4833 1 146 . 1 1 14 14 GLU N N 15 126.91 0.02 . 1 . . . . . . . . 4833 1 147 . 1 1 14 14 GLU H H 1 9.37 0.02 . 1 . . . . . . . . 4833 1 148 . 1 1 14 14 GLU CA C 13 54.11 0.05 . 1 . . . . . . . . 4833 1 149 . 1 1 14 14 GLU HA H 1 5.16 0.02 . 1 . . . . . . . . 4833 1 150 . 1 1 14 14 GLU CB C 13 33.39 0.05 . 1 . . . . . . . . 4833 1 151 . 1 1 14 14 GLU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4833 1 152 . 1 1 14 14 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4833 1 153 . 1 1 14 14 GLU CG C 13 35.20 0.05 . 1 . . . . . . . . 4833 1 154 . 1 1 14 14 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . 4833 1 155 . 1 1 14 14 GLU HG2 H 1 2.50 0.02 . 2 . . . . . . . . 4833 1 156 . 1 1 14 14 GLU C C 13 174.89 0.05 . 1 . . . . . . . . 4833 1 157 . 1 1 15 15 ILE N N 15 124.01 0.02 . 1 . . . . . . . . 4833 1 158 . 1 1 15 15 ILE H H 1 9.50 0.02 . 1 . . . . . . . . 4833 1 159 . 1 1 15 15 ILE CA C 13 60.48 0.05 . 1 . . . . . . . . 4833 1 160 . 1 1 15 15 ILE HA H 1 4.32 0.02 . 1 . . . . . . . . 4833 1 161 . 1 1 15 15 ILE CB C 13 39.20 0.05 . 1 . . . . . . . . 4833 1 162 . 1 1 15 15 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 4833 1 163 . 1 1 15 15 ILE CG1 C 13 27.98 0.05 . 1 . . . . . . . . 4833 1 164 . 1 1 15 15 ILE HG12 H 1 1.16 0.02 . 2 . . . . . . . . 4833 1 165 . 1 1 15 15 ILE HG13 H 1 1.61 0.02 . 2 . . . . . . . . 4833 1 166 . 1 1 15 15 ILE CD1 C 13 13.36 0.05 . 1 . . . . . . . . 4833 1 167 . 1 1 15 15 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 168 . 1 1 15 15 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 169 . 1 1 15 15 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 170 . 1 1 15 15 ILE CG2 C 13 19.37 0.05 . 1 . . . . . . . . 4833 1 171 . 1 1 15 15 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 172 . 1 1 15 15 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 173 . 1 1 15 15 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 174 . 1 1 15 15 ILE C C 13 173.70 0.05 . 1 . . . . . . . . 4833 1 175 . 1 1 16 16 HIS N N 15 127.19 0.02 . 1 . . . . . . . . 4833 1 176 . 1 1 16 16 HIS H H 1 8.68 0.02 . 1 . . . . . . . . 4833 1 177 . 1 1 16 16 HIS CA C 13 53.77 0.05 . 1 . . . . . . . . 4833 1 178 . 1 1 16 16 HIS HA H 1 5.36 0.02 . 1 . . . . . . . . 4833 1 179 . 1 1 16 16 HIS CB C 13 29.24 0.05 . 1 . . . . . . . . 4833 1 180 . 1 1 16 16 HIS HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4833 1 181 . 1 1 16 16 HIS HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4833 1 182 . 1 1 16 16 HIS HD2 H 1 6.18 0.02 . 1 . . . . . . . . 4833 1 183 . 1 1 16 16 HIS HE1 H 1 7.27 0.02 . 1 . . . . . . . . 4833 1 184 . 1 1 16 16 HIS C C 13 174.01 0.05 . 1 . . . . . . . . 4833 1 185 . 1 1 17 17 ASN N N 15 125.64 0.02 . 1 . . . . . . . . 4833 1 186 . 1 1 17 17 ASN H H 1 8.94 0.02 . 1 . . . . . . . . 4833 1 187 . 1 1 17 17 ASN CA C 13 51.30 0.05 . 1 . . . . . . . . 4833 1 188 . 1 1 17 17 ASN HA H 1 5.28 0.02 . 1 . . . . . . . . 4833 1 189 . 1 1 17 17 ASN CB C 13 40.52 0.05 . 1 . . . . . . . . 4833 1 190 . 1 1 17 17 ASN HB3 H 1 2.14 0.02 . 1 . . . . . . . . 4833 1 191 . 1 1 17 17 ASN HB2 H 1 3.16 0.02 . 1 . . . . . . . . 4833 1 192 . 1 1 17 17 ASN ND2 N 15 106.34 0.02 . 1 . . . . . . . . 4833 1 193 . 1 1 17 17 ASN HD21 H 1 7.15 0.02 . 1 . . . . . . . . 4833 1 194 . 1 1 17 17 ASN HD22 H 1 6.18 0.02 . 1 . . . . . . . . 4833 1 195 . 1 1 17 17 ASN C C 13 173.82 0.05 . 1 . . . . . . . . 4833 1 196 . 1 1 18 18 ASN N N 15 115.11 0.02 . 1 . . . . . . . . 4833 1 197 . 1 1 18 18 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 4833 1 198 . 1 1 18 18 ASN CA C 13 52.95 0.05 . 1 . . . . . . . . 4833 1 199 . 1 1 18 18 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 4833 1 200 . 1 1 18 18 ASN CB C 13 35.86 0.05 . 1 . . . . . . . . 4833 1 201 . 1 1 18 18 ASN HB3 H 1 2.50 0.02 . 2 . . . . . . . . 4833 1 202 . 1 1 18 18 ASN HB2 H 1 3.31 0.02 . 2 . . . . . . . . 4833 1 203 . 1 1 18 18 ASN CG C 13 178.28 0.05 . 1 . . . . . . . . 4833 1 204 . 1 1 18 18 ASN ND2 N 15 112.02 0.02 . 1 . . . . . . . . 4833 1 205 . 1 1 18 18 ASN HD21 H 1 8.06 0.02 . 1 . . . . . . . . 4833 1 206 . 1 1 18 18 ASN HD22 H 1 6.85 0.02 . 1 . . . . . . . . 4833 1 207 . 1 1 18 18 ASN C C 13 175.54 0.05 . 1 . . . . . . . . 4833 1 208 . 1 1 19 19 GLU N N 15 119.71 0.02 . 1 . . . . . . . . 4833 1 209 . 1 1 19 19 GLU H H 1 9.84 0.02 . 1 . . . . . . . . 4833 1 210 . 1 1 19 19 GLU CA C 13 56.28 0.05 . 1 . . . . . . . . 4833 1 211 . 1 1 19 19 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 4833 1 212 . 1 1 19 19 GLU CB C 13 26.81 0.05 . 1 . . . . . . . . 4833 1 213 . 1 1 19 19 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4833 1 214 . 1 1 19 19 GLU CG C 13 36.46 0.05 . 1 . . . . . . . . 4833 1 215 . 1 1 19 19 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 4833 1 216 . 1 1 19 19 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4833 1 217 . 1 1 19 19 GLU C C 13 176.75 0.05 . 1 . . . . . . . . 4833 1 218 . 1 1 20 20 GLY N N 15 106.23 0.02 . 1 . . . . . . . . 4833 1 219 . 1 1 20 20 GLY H H 1 8.09 0.02 . 1 . . . . . . . . 4833 1 220 . 1 1 20 20 GLY CA C 13 45.77 0.05 . 1 . . . . . . . . 4833 1 221 . 1 1 20 20 GLY HA2 H 1 3.43 0.02 . 1 . . . . . . . . 4833 1 222 . 1 1 20 20 GLY HA3 H 1 4.28 0.02 . 1 . . . . . . . . 4833 1 223 . 1 1 20 20 GLY C C 13 175.17 0.05 . 1 . . . . . . . . 4833 1 224 . 1 1 21 21 ARG N N 15 120.29 0.02 . 1 . . . . . . . . 4833 1 225 . 1 1 21 21 ARG H H 1 8.02 0.02 . 1 . . . . . . . . 4833 1 226 . 1 1 21 21 ARG CA C 13 58.23 0.05 . 1 . . . . . . . . 4833 1 227 . 1 1 21 21 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4833 1 228 . 1 1 21 21 ARG CB C 13 31.62 0.05 . 1 . . . . . . . . 4833 1 229 . 1 1 21 21 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4833 1 230 . 1 1 21 21 ARG HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4833 1 231 . 1 1 21 21 ARG CG C 13 27.72 0.05 . 1 . . . . . . . . 4833 1 232 . 1 1 21 21 ARG HG3 H 1 1.71 0.02 . 2 . . . . . . . . 4833 1 233 . 1 1 21 21 ARG HG2 H 1 1.88 0.02 . 2 . . . . . . . . 4833 1 234 . 1 1 21 21 ARG CD C 13 43.28 0.05 . 1 . . . . . . . . 4833 1 235 . 1 1 21 21 ARG HD3 H 1 3.26 0.02 . 2 . . . . . . . . 4833 1 236 . 1 1 21 21 ARG HD2 H 1 3.34 0.02 . 2 . . . . . . . . 4833 1 237 . 1 1 21 21 ARG C C 13 176.50 0.05 . 1 . . . . . . . . 4833 1 238 . 1 1 22 22 ASP N N 15 117.89 0.02 . 1 . . . . . . . . 4833 1 239 . 1 1 22 22 ASP H H 1 8.14 0.02 . 1 . . . . . . . . 4833 1 240 . 1 1 22 22 ASP CA C 13 53.33 0.05 . 1 . . . . . . . . 4833 1 241 . 1 1 22 22 ASP HA H 1 5.20 0.02 . 1 . . . . . . . . 4833 1 242 . 1 1 22 22 ASP CB C 13 43.47 0.05 . 1 . . . . . . . . 4833 1 243 . 1 1 22 22 ASP HB3 H 1 2.56 0.02 . 1 . . . . . . . . 4833 1 244 . 1 1 22 22 ASP HB2 H 1 2.79 0.02 . 1 . . . . . . . . 4833 1 245 . 1 1 22 22 ASP C C 13 175.20 0.05 . 1 . . . . . . . . 4833 1 246 . 1 1 23 23 THR N N 15 114.36 0.02 . 1 . . . . . . . . 4833 1 247 . 1 1 23 23 THR H H 1 8.34 0.02 . 1 . . . . . . . . 4833 1 248 . 1 1 23 23 THR CA C 13 61.52 0.05 . 1 . . . . . . . . 4833 1 249 . 1 1 23 23 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 4833 1 250 . 1 1 23 23 THR CB C 13 70.45 0.05 . 1 . . . . . . . . 4833 1 251 . 1 1 23 23 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 4833 1 252 . 1 1 23 23 THR CG2 C 13 22.17 0.05 . 1 . . . . . . . . 4833 1 253 . 1 1 23 23 THR HG21 H 1 0.53 0.02 . 1 . . . . . . . . 4833 1 254 . 1 1 23 23 THR HG22 H 1 0.53 0.02 . 1 . . . . . . . . 4833 1 255 . 1 1 23 23 THR HG23 H 1 0.53 0.02 . 1 . . . . . . . . 4833 1 256 . 1 1 23 23 THR C C 13 181.58 0.05 . 1 . . . . . . . . 4833 1 257 . 1 1 24 24 LEU N N 15 128.77 0.02 . 1 . . . . . . . . 4833 1 258 . 1 1 24 24 LEU H H 1 9.14 0.02 . 1 . . . . . . . . 4833 1 259 . 1 1 24 24 LEU CA C 13 54.34 0.05 . 1 . . . . . . . . 4833 1 260 . 1 1 24 24 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 4833 1 261 . 1 1 24 24 LEU CB C 13 44.98 0.05 . 1 . . . . . . . . 4833 1 262 . 1 1 24 24 LEU HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4833 1 263 . 1 1 24 24 LEU HB2 H 1 1.61 0.02 . 1 . . . . . . . . 4833 1 264 . 1 1 24 24 LEU CG C 13 28.06 0.05 . 1 . . . . . . . . 4833 1 265 . 1 1 24 24 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 4833 1 266 . 1 1 24 24 LEU CD1 C 13 25.73 0.05 . 1 . . . . . . . . 4833 1 267 . 1 1 24 24 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 268 . 1 1 24 24 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 269 . 1 1 24 24 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4833 1 270 . 1 1 24 24 LEU CD2 C 13 25.26 0.05 . 1 . . . . . . . . 4833 1 271 . 1 1 24 24 LEU HD21 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 272 . 1 1 24 24 LEU HD22 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 273 . 1 1 24 24 LEU HD23 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 274 . 1 1 24 24 LEU C C 13 174.76 0.05 . 1 . . . . . . . . 4833 1 275 . 1 1 25 25 CYS N N 15 118.95 0.02 . 1 . . . . . . . . 4833 1 276 . 1 1 25 25 CYS H H 1 8.49 0.02 . 1 . . . . . . . . 4833 1 277 . 1 1 25 25 CYS CA C 13 56.51 0.05 . 1 . . . . . . . . 4833 1 278 . 1 1 25 25 CYS HA H 1 5.91 0.02 . 1 . . . . . . . . 4833 1 279 . 1 1 25 25 CYS CB C 13 48.44 0.05 . 1 . . . . . . . . 4833 1 280 . 1 1 25 25 CYS HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4833 1 281 . 1 1 25 25 CYS HB3 H 1 3.04 0.02 . 1 . . . . . . . . 4833 1 282 . 1 1 25 25 CYS C C 13 172.69 0.05 . 1 . . . . . . . . 4833 1 283 . 1 1 26 26 PHE N N 15 117.61 0.02 . 1 . . . . . . . . 4833 1 284 . 1 1 26 26 PHE H H 1 8.54 0.02 . 1 . . . . . . . . 4833 1 285 . 1 1 26 26 PHE CA C 13 56.19 0.05 . 1 . . . . . . . . 4833 1 286 . 1 1 26 26 PHE HA H 1 4.95 0.02 . 1 . . . . . . . . 4833 1 287 . 1 1 26 26 PHE CB C 13 44.33 0.05 . 1 . . . . . . . . 4833 1 288 . 1 1 26 26 PHE HB2 H 1 2.51 0.02 . 1 . . . . . . . . 4833 1 289 . 1 1 26 26 PHE HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4833 1 290 . 1 1 26 26 PHE CD1 C 13 131.37 0.05 . 3 . . . . . . . . 4833 1 291 . 1 1 26 26 PHE HD1 H 1 6.75 0.02 . 3 . . . . . . . . 4833 1 292 . 1 1 26 26 PHE CE1 C 13 131.02 0.05 . 3 . . . . . . . . 4833 1 293 . 1 1 26 26 PHE HE1 H 1 6.96 0.02 . 3 . . . . . . . . 4833 1 294 . 1 1 26 26 PHE CZ C 13 128.89 0.05 . 1 . . . . . . . . 4833 1 295 . 1 1 26 26 PHE HZ H 1 7.04 0.02 . 1 . . . . . . . . 4833 1 296 . 1 1 26 26 PHE C C 13 172.69 0.05 . 1 . . . . . . . . 4833 1 297 . 1 1 27 27 ALA N N 15 120.01 0.02 . 1 . . . . . . . . 4833 1 298 . 1 1 27 27 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4833 1 299 . 1 1 27 27 ALA CA C 13 51.31 0.05 . 1 . . . . . . . . 4833 1 300 . 1 1 27 27 ALA HA H 1 4.54 0.02 . 1 . . . . . . . . 4833 1 301 . 1 1 27 27 ALA CB C 13 24.02 0.05 . 1 . . . . . . . . 4833 1 302 . 1 1 27 27 ALA HB1 H 1 1.11 0.02 . 1 . . . . . . . . 4833 1 303 . 1 1 27 27 ALA HB2 H 1 1.11 0.02 . 1 . . . . . . . . 4833 1 304 . 1 1 27 27 ALA HB3 H 1 1.11 0.02 . 1 . . . . . . . . 4833 1 305 . 1 1 27 27 ALA C C 13 175.50 0.05 . 1 . . . . . . . . 4833 1 306 . 1 1 28 28 ASN N N 15 110.42 0.02 . 1 . . . . . . . . 4833 1 307 . 1 1 28 28 ASN H H 1 8.45 0.02 . 1 . . . . . . . . 4833 1 308 . 1 1 28 28 ASN CA C 13 54.97 0.05 . 1 . . . . . . . . 4833 1 309 . 1 1 28 28 ASN HA H 1 4.19 0.02 . 1 . . . . . . . . 4833 1 310 . 1 1 28 28 ASN CB C 13 37.50 0.05 . 1 . . . . . . . . 4833 1 311 . 1 1 28 28 ASN HB3 H 1 2.61 0.02 . 1 . . . . . . . . 4833 1 312 . 1 1 28 28 ASN HB2 H 1 3.55 0.02 . 1 . . . . . . . . 4833 1 313 . 1 1 28 28 ASN ND2 N 15 112.88 0.02 . 1 . . . . . . . . 4833 1 314 . 1 1 28 28 ASN HD21 H 1 7.16 0.02 . 1 . . . . . . . . 4833 1 315 . 1 1 28 28 ASN HD22 H 1 6.95 0.02 . 1 . . . . . . . . 4833 1 316 . 1 1 28 28 ASN C C 13 180.77 0.05 . 1 . . . . . . . . 4833 1 317 . 1 1 29 29 ALA N N 15 116.18 0.02 . 1 . . . . . . . . 4833 1 318 . 1 1 29 29 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 4833 1 319 . 1 1 29 29 ALA CA C 13 52.07 0.05 . 1 . . . . . . . . 4833 1 320 . 1 1 29 29 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4833 1 321 . 1 1 29 29 ALA CB C 13 19.52 0.05 . 1 . . . . . . . . 4833 1 322 . 1 1 29 29 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 4833 1 323 . 1 1 29 29 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 4833 1 324 . 1 1 29 29 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 4833 1 325 . 1 1 29 29 ALA C C 13 178.46 0.05 . 1 . . . . . . . . 4833 1 326 . 1 1 30 30 GLY N N 15 108.58 0.02 . 1 . . . . . . . . 4833 1 327 . 1 1 30 30 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 4833 1 328 . 1 1 30 30 GLY CA C 13 44.11 0.05 . 1 . . . . . . . . 4833 1 329 . 1 1 30 30 GLY HA3 H 1 3.79 0.02 . 1 . . . . . . . . 4833 1 330 . 1 1 30 30 GLY HA2 H 1 4.50 0.02 . 1 . . . . . . . . 4833 1 331 . 1 1 30 30 GLY C C 13 173.21 0.05 . 1 . . . . . . . . 4833 1 332 . 1 1 31 31 THR N N 15 114.59 0.02 . 1 . . . . . . . . 4833 1 333 . 1 1 31 31 THR H H 1 8.52 0.02 . 1 . . . . . . . . 4833 1 334 . 1 1 31 31 THR CA C 13 60.84 0.05 . 1 . . . . . . . . 4833 1 335 . 1 1 31 31 THR HA H 1 5.38 0.02 . 1 . . . . . . . . 4833 1 336 . 1 1 31 31 THR CB C 13 70.47 0.05 . 1 . . . . . . . . 4833 1 337 . 1 1 31 31 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 4833 1 338 . 1 1 31 31 THR CG2 C 13 20.34 0.05 . 1 . . . . . . . . 4833 1 339 . 1 1 31 31 THR HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4833 1 340 . 1 1 31 31 THR HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4833 1 341 . 1 1 31 31 THR HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4833 1 342 . 1 1 31 31 THR C C 13 172.99 0.05 . 1 . . . . . . . . 4833 1 343 . 1 1 32 32 MET N N 15 126.09 0.02 . 1 . . . . . . . . 4833 1 344 . 1 1 32 32 MET H H 1 9.22 0.02 . 1 . . . . . . . . 4833 1 345 . 1 1 32 32 MET CA C 13 52.45 0.05 . 1 . . . . . . . . 4833 1 346 . 1 1 32 32 MET HA H 1 5.02 0.02 . 1 . . . . . . . . 4833 1 347 . 1 1 32 32 MET CB C 13 36.24 0.05 . 1 . . . . . . . . 4833 1 348 . 1 1 32 32 MET HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4833 1 349 . 1 1 32 32 MET HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4833 1 350 . 1 1 32 32 MET CG C 13 30.37 0.05 . 1 . . . . . . . . 4833 1 351 . 1 1 32 32 MET HG3 H 1 2.28 0.02 . 2 . . . . . . . . 4833 1 352 . 1 1 32 32 MET HG2 H 1 2.36 0.02 . 2 . . . . . . . . 4833 1 353 . 1 1 32 32 MET CE C 13 17.30 0.05 . 1 . . . . . . . . 4833 1 354 . 1 1 32 32 MET HE1 H 1 2.11 0.02 . 1 . . . . . . . . 4833 1 355 . 1 1 32 32 MET HE2 H 1 2.11 0.02 . 1 . . . . . . . . 4833 1 356 . 1 1 32 32 MET HE3 H 1 2.11 0.02 . 1 . . . . . . . . 4833 1 357 . 1 1 33 33 PRO CA C 13 61.85 0.05 . 1 . . . . . . . . 4833 1 358 . 1 1 33 33 PRO HA H 1 4.86 0.02 . 1 . . . . . . . . 4833 1 359 . 1 1 33 33 PRO CB C 13 31.62 0.05 . 1 . . . . . . . . 4833 1 360 . 1 1 33 33 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4833 1 361 . 1 1 33 33 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4833 1 362 . 1 1 33 33 PRO CG C 13 26.77 0.05 . 1 . . . . . . . . 4833 1 363 . 1 1 33 33 PRO HG3 H 1 1.99 0.02 . 2 . . . . . . . . 4833 1 364 . 1 1 33 33 PRO HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4833 1 365 . 1 1 33 33 PRO CD C 13 51.03 0.05 . 1 . . . . . . . . 4833 1 366 . 1 1 33 33 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 4833 1 367 . 1 1 33 33 PRO HD2 H 1 3.79 0.02 . 2 . . . . . . . . 4833 1 368 . 1 1 33 33 PRO C C 13 176.23 0.05 . 1 . . . . . . . . 4833 1 369 . 1 1 34 34 VAL N N 15 115.35 0.02 . 1 . . . . . . . . 4833 1 370 . 1 1 34 34 VAL H H 1 7.88 0.02 . 1 . . . . . . . . 4833 1 371 . 1 1 34 34 VAL CA C 13 59.27 0.05 . 1 . . . . . . . . 4833 1 372 . 1 1 34 34 VAL HA H 1 4.49 0.02 . 1 . . . . . . . . 4833 1 373 . 1 1 34 34 VAL CB C 13 37.03 0.05 . 1 . . . . . . . . 4833 1 374 . 1 1 34 34 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 4833 1 375 . 1 1 34 34 VAL CG2 C 13 17.62 0.05 . 1 . . . . . . . . 4833 1 376 . 1 1 34 34 VAL HG21 H 1 0.35 0.02 . 1 . . . . . . . . 4833 1 377 . 1 1 34 34 VAL HG22 H 1 0.35 0.02 . 1 . . . . . . . . 4833 1 378 . 1 1 34 34 VAL HG23 H 1 0.35 0.02 . 1 . . . . . . . . 4833 1 379 . 1 1 34 34 VAL CG1 C 13 22.89 0.05 . 1 . . . . . . . . 4833 1 380 . 1 1 34 34 VAL HG11 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 381 . 1 1 34 34 VAL HG12 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 382 . 1 1 34 34 VAL HG13 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 383 . 1 1 34 34 VAL C C 13 172.95 0.05 . 1 . . . . . . . . 4833 1 384 . 1 1 35 35 ALA N N 15 122.84 0.02 . 1 . . . . . . . . 4833 1 385 . 1 1 35 35 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 4833 1 386 . 1 1 35 35 ALA CA C 13 51.70 0.05 . 1 . . . . . . . . 4833 1 387 . 1 1 35 35 ALA HA H 1 4.67 0.02 . 1 . . . . . . . . 4833 1 388 . 1 1 35 35 ALA CB C 13 18.79 0.05 . 1 . . . . . . . . 4833 1 389 . 1 1 35 35 ALA HB1 H 1 1.17 0.02 . 1 . . . . . . . . 4833 1 390 . 1 1 35 35 ALA HB2 H 1 1.17 0.02 . 1 . . . . . . . . 4833 1 391 . 1 1 35 35 ALA HB3 H 1 1.17 0.02 . 1 . . . . . . . . 4833 1 392 . 1 1 35 35 ALA C C 13 175.11 0.05 . 1 . . . . . . . . 4833 1 393 . 1 1 36 36 ILE N N 15 121.46 0.02 . 1 . . . . . . . . 4833 1 394 . 1 1 36 36 ILE H H 1 7.51 0.02 . 1 . . . . . . . . 4833 1 395 . 1 1 36 36 ILE CA C 13 60.06 0.05 . 1 . . . . . . . . 4833 1 396 . 1 1 36 36 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 4833 1 397 . 1 1 36 36 ILE CB C 13 40.57 0.05 . 1 . . . . . . . . 4833 1 398 . 1 1 36 36 ILE HB H 1 1.31 0.02 . 1 . . . . . . . . 4833 1 399 . 1 1 36 36 ILE CG1 C 13 26.27 0.05 . 1 . . . . . . . . 4833 1 400 . 1 1 36 36 ILE HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4833 1 401 . 1 1 36 36 ILE HG13 H 1 1.44 0.02 . 2 . . . . . . . . 4833 1 402 . 1 1 36 36 ILE CD1 C 13 15.32 0.05 . 1 . . . . . . . . 4833 1 403 . 1 1 36 36 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 4833 1 404 . 1 1 36 36 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 4833 1 405 . 1 1 36 36 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 4833 1 406 . 1 1 36 36 ILE CG2 C 13 18.42 0.05 . 1 . . . . . . . . 4833 1 407 . 1 1 36 36 ILE HG21 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 408 . 1 1 36 36 ILE HG22 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 409 . 1 1 36 36 ILE HG23 H 1 0.68 0.02 . 1 . . . . . . . . 4833 1 410 . 1 1 36 36 ILE C C 13 174.51 0.05 . 1 . . . . . . . . 4833 1 411 . 1 1 37 37 TYR N N 15 126.17 0.02 . 1 . . . . . . . . 4833 1 412 . 1 1 37 37 TYR H H 1 8.89 0.02 . 1 . . . . . . . . 4833 1 413 . 1 1 37 37 TYR CA C 13 57.04 0.05 . 1 . . . . . . . . 4833 1 414 . 1 1 37 37 TYR HA H 1 5.32 0.02 . 1 . . . . . . . . 4833 1 415 . 1 1 37 37 TYR CB C 13 40.12 0.05 . 1 . . . . . . . . 4833 1 416 . 1 1 37 37 TYR HB2 H 1 2.73 0.02 . 1 . . . . . . . . 4833 1 417 . 1 1 37 37 TYR HB3 H 1 3.15 0.02 . 1 . . . . . . . . 4833 1 418 . 1 1 37 37 TYR CD1 C 13 132.98 0.05 . 3 . . . . . . . . 4833 1 419 . 1 1 37 37 TYR HD1 H 1 6.93 0.02 . 3 . . . . . . . . 4833 1 420 . 1 1 37 37 TYR CE1 C 13 117.79 0.05 . 3 . . . . . . . . 4833 1 421 . 1 1 37 37 TYR HE1 H 1 6.60 0.02 . 3 . . . . . . . . 4833 1 422 . 1 1 37 37 TYR C C 13 178.50 0.05 . 1 . . . . . . . . 4833 1 423 . 1 1 38 38 GLY N N 15 113.83 0.02 . 1 . . . . . . . . 4833 1 424 . 1 1 38 38 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 4833 1 425 . 1 1 38 38 GLY CA C 13 48.18 0.05 . 1 . . . . . . . . 4833 1 426 . 1 1 38 38 GLY HA2 H 1 3.58 0.02 . 1 . . . . . . . . 4833 1 427 . 1 1 38 38 GLY HA3 H 1 3.68 0.02 . 1 . . . . . . . . 4833 1 428 . 1 1 38 38 GLY C C 13 175.54 0.05 . 1 . . . . . . . . 4833 1 429 . 1 1 39 39 VAL N N 15 120.04 0.02 . 1 . . . . . . . . 4833 1 430 . 1 1 39 39 VAL H H 1 7.54 0.02 . 1 . . . . . . . . 4833 1 431 . 1 1 39 39 VAL CA C 13 63.25 0.05 . 1 . . . . . . . . 4833 1 432 . 1 1 39 39 VAL HA H 1 3.49 0.02 . 1 . . . . . . . . 4833 1 433 . 1 1 39 39 VAL CB C 13 32.86 0.05 . 1 . . . . . . . . 4833 1 434 . 1 1 39 39 VAL HB H 1 1.43 0.02 . 1 . . . . . . . . 4833 1 435 . 1 1 39 39 VAL CG2 C 13 20.58 0.05 . 1 . . . . . . . . 4833 1 436 . 1 1 39 39 VAL HG21 H 1 0.61 0.02 . 1 . . . . . . . . 4833 1 437 . 1 1 39 39 VAL HG22 H 1 0.61 0.02 . 1 . . . . . . . . 4833 1 438 . 1 1 39 39 VAL HG23 H 1 0.61 0.02 . 1 . . . . . . . . 4833 1 439 . 1 1 39 39 VAL CG1 C 13 23.45 0.05 . 1 . . . . . . . . 4833 1 440 . 1 1 39 39 VAL HG11 H 1 0.63 0.02 . 1 . . . . . . . . 4833 1 441 . 1 1 39 39 VAL HG12 H 1 0.63 0.02 . 1 . . . . . . . . 4833 1 442 . 1 1 39 39 VAL HG13 H 1 0.63 0.02 . 1 . . . . . . . . 4833 1 443 . 1 1 39 39 VAL C C 13 173.81 0.05 . 1 . . . . . . . . 4833 1 444 . 1 1 40 40 ASN N N 15 122.51 0.02 . 1 . . . . . . . . 4833 1 445 . 1 1 40 40 ASN H H 1 9.14 0.02 . 1 . . . . . . . . 4833 1 446 . 1 1 40 40 ASN CA C 13 54.70 0.05 . 1 . . . . . . . . 4833 1 447 . 1 1 40 40 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . 4833 1 448 . 1 1 40 40 ASN CB C 13 43.31 0.05 . 1 . . . . . . . . 4833 1 449 . 1 1 40 40 ASN HB3 H 1 3.20 0.02 . 2 . . . . . . . . 4833 1 450 . 1 1 40 40 ASN HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4833 1 451 . 1 1 40 40 ASN CG C 13 174.97 0.05 . 1 . . . . . . . . 4833 1 452 . 1 1 40 40 ASN ND2 N 15 105.18 0.02 . 1 . . . . . . . . 4833 1 453 . 1 1 40 40 ASN HD21 H 1 7.51 0.02 . 1 . . . . . . . . 4833 1 454 . 1 1 40 40 ASN HD22 H 1 6.87 0.02 . 1 . . . . . . . . 4833 1 455 . 1 1 40 40 ASN C C 13 173.99 0.05 . 1 . . . . . . . . 4833 1 456 . 1 1 41 41 TRP N N 15 113.70 0.02 . 1 . . . . . . . . 4833 1 457 . 1 1 41 41 TRP H H 1 7.43 0.02 . 1 . . . . . . . . 4833 1 458 . 1 1 41 41 TRP CA C 13 57.80 0.05 . 1 . . . . . . . . 4833 1 459 . 1 1 41 41 TRP HA H 1 5.08 0.02 . 1 . . . . . . . . 4833 1 460 . 1 1 41 41 TRP CB C 13 30.40 0.05 . 1 . . . . . . . . 4833 1 461 . 1 1 41 41 TRP HB3 H 1 3.36 0.02 . 2 . . . . . . . . 4833 1 462 . 1 1 41 41 TRP HB2 H 1 3.45 0.02 . 2 . . . . . . . . 4833 1 463 . 1 1 41 41 TRP CD1 C 13 126.84 0.05 . 1 . . . . . . . . 4833 1 464 . 1 1 41 41 TRP HD1 H 1 6.88 0.02 . 1 . . . . . . . . 4833 1 465 . 1 1 41 41 TRP NE1 N 15 131.01 0.02 . 1 . . . . . . . . 4833 1 466 . 1 1 41 41 TRP HE1 H 1 10.28 0.02 . 1 . . . . . . . . 4833 1 467 . 1 1 41 41 TRP CZ2 C 13 113.93 0.05 . 1 . . . . . . . . 4833 1 468 . 1 1 41 41 TRP HZ2 H 1 7.02 0.02 . 1 . . . . . . . . 4833 1 469 . 1 1 41 41 TRP CH2 C 13 124.23 0.05 . 1 . . . . . . . . 4833 1 470 . 1 1 41 41 TRP HH2 H 1 7.12 0.02 . 1 . . . . . . . . 4833 1 471 . 1 1 41 41 TRP CZ3 C 13 120.99 0.05 . 1 . . . . . . . . 4833 1 472 . 1 1 41 41 TRP HZ3 H 1 6.99 0.02 . 1 . . . . . . . . 4833 1 473 . 1 1 41 41 TRP C C 13 181.56 0.05 . 1 . . . . . . . . 4833 1 474 . 1 1 42 42 VAL N N 15 120.78 0.02 . 1 . . . . . . . . 4833 1 475 . 1 1 42 42 VAL H H 1 9.10 0.02 . 1 . . . . . . . . 4833 1 476 . 1 1 42 42 VAL CA C 13 60.43 0.05 . 1 . . . . . . . . 4833 1 477 . 1 1 42 42 VAL HA H 1 5.15 0.02 . 1 . . . . . . . . 4833 1 478 . 1 1 42 42 VAL CB C 13 37.49 0.05 . 1 . . . . . . . . 4833 1 479 . 1 1 42 42 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 4833 1 480 . 1 1 42 42 VAL CG2 C 13 22.51 0.05 . 1 . . . . . . . . 4833 1 481 . 1 1 42 42 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4833 1 482 . 1 1 42 42 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4833 1 483 . 1 1 42 42 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4833 1 484 . 1 1 42 42 VAL CG1 C 13 22.00 0.05 . 1 . . . . . . . . 4833 1 485 . 1 1 42 42 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4833 1 486 . 1 1 42 42 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4833 1 487 . 1 1 42 42 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4833 1 488 . 1 1 42 42 VAL C C 13 174.07 0.05 . 1 . . . . . . . . 4833 1 489 . 1 1 43 43 GLU N N 15 125.40 0.02 . 1 . . . . . . . . 4833 1 490 . 1 1 43 43 GLU H H 1 9.09 0.02 . 1 . . . . . . . . 4833 1 491 . 1 1 43 43 GLU CA C 13 54.46 0.05 . 1 . . . . . . . . 4833 1 492 . 1 1 43 43 GLU HA H 1 5.43 0.02 . 1 . . . . . . . . 4833 1 493 . 1 1 43 43 GLU CB C 13 32.26 0.05 . 1 . . . . . . . . 4833 1 494 . 1 1 43 43 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 4833 1 495 . 1 1 43 43 GLU HB3 H 1 2.61 0.02 . 1 . . . . . . . . 4833 1 496 . 1 1 43 43 GLU CG C 13 36.23 0.05 . 1 . . . . . . . . 4833 1 497 . 1 1 43 43 GLU HG3 H 1 2.52 0.02 . 2 . . . . . . . . 4833 1 498 . 1 1 43 43 GLU HG2 H 1 2.61 0.02 . 2 . . . . . . . . 4833 1 499 . 1 1 43 43 GLU C C 13 175.53 0.05 . 1 . . . . . . . . 4833 1 500 . 1 1 44 44 SER N N 15 116.93 0.02 . 1 . . . . . . . . 4833 1 501 . 1 1 44 44 SER H H 1 8.66 0.02 . 1 . . . . . . . . 4833 1 502 . 1 1 44 44 SER CA C 13 59.80 0.05 . 1 . . . . . . . . 4833 1 503 . 1 1 44 44 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 4833 1 504 . 1 1 44 44 SER CB C 13 63.78 0.05 . 1 . . . . . . . . 4833 1 505 . 1 1 44 44 SER HB2 H 1 3.67 0.02 . 1 . . . . . . . . 4833 1 506 . 1 1 44 44 SER HB3 H 1 4.22 0.02 . 1 . . . . . . . . 4833 1 507 . 1 1 44 44 SER C C 13 174.78 0.05 . 1 . . . . . . . . 4833 1 508 . 1 1 45 45 GLY N N 15 110.12 0.02 . 1 . . . . . . . . 4833 1 509 . 1 1 45 45 GLY H H 1 9.12 0.02 . 1 . . . . . . . . 4833 1 510 . 1 1 45 45 GLY CA C 13 45.11 0.05 . 1 . . . . . . . . 4833 1 511 . 1 1 45 45 GLY HA2 H 1 3.24 0.02 . 2 . . . . . . . . 4833 1 512 . 1 1 45 45 GLY HA3 H 1 3.29 0.02 . 2 . . . . . . . . 4833 1 513 . 1 1 45 45 GLY C C 13 174.71 0.05 . 1 . . . . . . . . 4833 1 514 . 1 1 46 46 ASN N N 15 124.51 0.02 . 1 . . . . . . . . 4833 1 515 . 1 1 46 46 ASN H H 1 8.16 0.02 . 1 . . . . . . . . 4833 1 516 . 1 1 46 46 ASN CA C 13 50.88 0.05 . 1 . . . . . . . . 4833 1 517 . 1 1 46 46 ASN HA H 1 3.94 0.02 . 1 . . . . . . . . 4833 1 518 . 1 1 46 46 ASN CB C 13 36.86 0.05 . 1 . . . . . . . . 4833 1 519 . 1 1 46 46 ASN HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4833 1 520 . 1 1 46 46 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4833 1 521 . 1 1 46 46 ASN ND2 N 15 109.93 0.02 . 1 . . . . . . . . 4833 1 522 . 1 1 46 46 ASN HD21 H 1 7.68 0.02 . 1 . . . . . . . . 4833 1 523 . 1 1 46 46 ASN HD22 H 1 6.93 0.02 . 1 . . . . . . . . 4833 1 524 . 1 1 46 46 ASN C C 13 174.90 0.05 . 1 . . . . . . . . 4833 1 525 . 1 1 47 47 ASN N N 15 115.55 0.02 . 1 . . . . . . . . 4833 1 526 . 1 1 47 47 ASN H H 1 7.50 0.02 . 1 . . . . . . . . 4833 1 527 . 1 1 47 47 ASN CA C 13 52.59 0.05 . 1 . . . . . . . . 4833 1 528 . 1 1 47 47 ASN HA H 1 4.82 0.02 . 1 . . . . . . . . 4833 1 529 . 1 1 47 47 ASN CB C 13 43.07 0.05 . 1 . . . . . . . . 4833 1 530 . 1 1 47 47 ASN HB2 H 1 2.24 0.02 . 1 . . . . . . . . 4833 1 531 . 1 1 47 47 ASN HB3 H 1 2.63 0.02 . 1 . . . . . . . . 4833 1 532 . 1 1 47 47 ASN CG C 13 175.95 0.05 . 1 . . . . . . . . 4833 1 533 . 1 1 47 47 ASN ND2 N 15 116.47 0.02 . 1 . . . . . . . . 4833 1 534 . 1 1 47 47 ASN HD21 H 1 7.91 0.02 . 1 . . . . . . . . 4833 1 535 . 1 1 47 47 ASN HD22 H 1 6.86 0.02 . 1 . . . . . . . . 4833 1 536 . 1 1 47 47 ASN C C 13 180.47 0.05 . 1 . . . . . . . . 4833 1 537 . 1 1 48 48 VAL N N 15 121.91 0.02 . 1 . . . . . . . . 4833 1 538 . 1 1 48 48 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 4833 1 539 . 1 1 48 48 VAL CA C 13 61.62 0.05 . 1 . . . . . . . . 4833 1 540 . 1 1 48 48 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 4833 1 541 . 1 1 48 48 VAL CB C 13 31.73 0.05 . 1 . . . . . . . . 4833 1 542 . 1 1 48 48 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 4833 1 543 . 1 1 48 48 VAL CG2 C 13 22.52 0.05 . 1 . . . . . . . . 4833 1 544 . 1 1 48 48 VAL HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 545 . 1 1 48 48 VAL HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 546 . 1 1 48 48 VAL HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 547 . 1 1 48 48 VAL CG1 C 13 20.50 0.05 . 1 . . . . . . . . 4833 1 548 . 1 1 48 48 VAL HG11 H 1 0.57 0.02 . 1 . . . . . . . . 4833 1 549 . 1 1 48 48 VAL HG12 H 1 0.57 0.02 . 1 . . . . . . . . 4833 1 550 . 1 1 48 48 VAL HG13 H 1 0.57 0.02 . 1 . . . . . . . . 4833 1 551 . 1 1 48 48 VAL C C 13 176.28 0.05 . 1 . . . . . . . . 4833 1 552 . 1 1 49 49 VAL N N 15 123.69 0.02 . 1 . . . . . . . . 4833 1 553 . 1 1 49 49 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 4833 1 554 . 1 1 49 49 VAL CA C 13 58.79 0.05 . 1 . . . . . . . . 4833 1 555 . 1 1 49 49 VAL HA H 1 5.73 0.02 . 1 . . . . . . . . 4833 1 556 . 1 1 49 49 VAL CB C 13 37.09 0.05 . 1 . . . . . . . . 4833 1 557 . 1 1 49 49 VAL HB H 1 1.80 0.02 . 1 . . . . . . . . 4833 1 558 . 1 1 49 49 VAL CG2 C 13 22.02 0.05 . 1 . . . . . . . . 4833 1 559 . 1 1 49 49 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 560 . 1 1 49 49 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 561 . 1 1 49 49 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 562 . 1 1 49 49 VAL CG1 C 13 21.59 0.05 . 1 . . . . . . . . 4833 1 563 . 1 1 49 49 VAL HG11 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 564 . 1 1 49 49 VAL HG12 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 565 . 1 1 49 49 VAL HG13 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 566 . 1 1 49 49 VAL C C 13 174.72 0.05 . 1 . . . . . . . . 4833 1 567 . 1 1 50 50 THR N N 15 122.29 0.02 . 1 . . . . . . . . 4833 1 568 . 1 1 50 50 THR H H 1 9.50 0.02 . 1 . . . . . . . . 4833 1 569 . 1 1 50 50 THR CA C 13 61.49 0.05 . 1 . . . . . . . . 4833 1 570 . 1 1 50 50 THR HA H 1 5.57 0.02 . 1 . . . . . . . . 4833 1 571 . 1 1 50 50 THR CB C 13 71.65 0.05 . 1 . . . . . . . . 4833 1 572 . 1 1 50 50 THR HB H 1 3.70 0.02 . 1 . . . . . . . . 4833 1 573 . 1 1 50 50 THR CG2 C 13 22.29 0.05 . 1 . . . . . . . . 4833 1 574 . 1 1 50 50 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4833 1 575 . 1 1 50 50 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4833 1 576 . 1 1 50 50 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4833 1 577 . 1 1 50 50 THR C C 13 173.75 0.05 . 1 . . . . . . . . 4833 1 578 . 1 1 51 51 LEU N N 15 127.36 0.02 . 1 . . . . . . . . 4833 1 579 . 1 1 51 51 LEU H H 1 9.19 0.02 . 1 . . . . . . . . 4833 1 580 . 1 1 51 51 LEU CA C 13 52.60 0.05 . 1 . . . . . . . . 4833 1 581 . 1 1 51 51 LEU HA H 1 5.22 0.02 . 1 . . . . . . . . 4833 1 582 . 1 1 51 51 LEU CB C 13 44.21 0.05 . 1 . . . . . . . . 4833 1 583 . 1 1 51 51 LEU HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4833 1 584 . 1 1 51 51 LEU HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4833 1 585 . 1 1 51 51 LEU CG C 13 27.05 0.05 . 1 . . . . . . . . 4833 1 586 . 1 1 51 51 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 4833 1 587 . 1 1 51 51 LEU CD1 C 13 26.66 0.05 . 1 . . . . . . . . 4833 1 588 . 1 1 51 51 LEU HD11 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 589 . 1 1 51 51 LEU HD12 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 590 . 1 1 51 51 LEU HD13 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 591 . 1 1 51 51 LEU CD2 C 13 25.73 0.05 . 1 . . . . . . . . 4833 1 592 . 1 1 51 51 LEU HD21 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 593 . 1 1 51 51 LEU HD22 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 594 . 1 1 51 51 LEU HD23 H 1 0.83 0.02 . 1 . . . . . . . . 4833 1 595 . 1 1 51 51 LEU C C 13 174.87 0.05 . 1 . . . . . . . . 4833 1 596 . 1 1 52 52 GLN N N 15 120.92 0.02 . 1 . . . . . . . . 4833 1 597 . 1 1 52 52 GLN H H 1 8.13 0.02 . 1 . . . . . . . . 4833 1 598 . 1 1 52 52 GLN CA C 13 53.99 0.05 . 1 . . . . . . . . 4833 1 599 . 1 1 52 52 GLN HA H 1 5.48 0.02 . 1 . . . . . . . . 4833 1 600 . 1 1 52 52 GLN CB C 13 31.25 0.05 . 1 . . . . . . . . 4833 1 601 . 1 1 52 52 GLN HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4833 1 602 . 1 1 52 52 GLN HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4833 1 603 . 1 1 52 52 GLN CG C 13 34.20 0.05 . 1 . . . . . . . . 4833 1 604 . 1 1 52 52 GLN HG3 H 1 2.01 0.02 . 2 . . . . . . . . 4833 1 605 . 1 1 52 52 GLN HG2 H 1 2.25 0.02 . 2 . . . . . . . . 4833 1 606 . 1 1 52 52 GLN CD C 13 178.78 0.05 . 1 . . . . . . . . 4833 1 607 . 1 1 52 52 GLN NE2 N 15 111.92 0.02 . 1 . . . . . . . . 4833 1 608 . 1 1 52 52 GLN HE21 H 1 7.20 0.02 . 1 . . . . . . . . 4833 1 609 . 1 1 52 52 GLN HE22 H 1 6.78 0.02 . 1 . . . . . . . . 4833 1 610 . 1 1 52 52 GLN C C 13 175.52 0.05 . 1 . . . . . . . . 4833 1 611 . 1 1 53 53 PHE N N 15 122.62 0.02 . 1 . . . . . . . . 4833 1 612 . 1 1 53 53 PHE H H 1 9.27 0.02 . 1 . . . . . . . . 4833 1 613 . 1 1 53 53 PHE CA C 13 55.41 0.05 . 1 . . . . . . . . 4833 1 614 . 1 1 53 53 PHE HA H 1 5.46 0.02 . 1 . . . . . . . . 4833 1 615 . 1 1 53 53 PHE CB C 13 43.53 0.05 . 1 . . . . . . . . 4833 1 616 . 1 1 53 53 PHE HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4833 1 617 . 1 1 53 53 PHE HB2 H 1 3.13 0.02 . 1 . . . . . . . . 4833 1 618 . 1 1 53 53 PHE CD1 C 13 132.50 0.05 . 3 . . . . . . . . 4833 1 619 . 1 1 53 53 PHE HD1 H 1 6.74 0.02 . 3 . . . . . . . . 4833 1 620 . 1 1 53 53 PHE CE1 C 13 131.49 0.05 . 3 . . . . . . . . 4833 1 621 . 1 1 53 53 PHE HE1 H 1 6.95 0.02 . 3 . . . . . . . . 4833 1 622 . 1 1 53 53 PHE CZ C 13 130.79 0.05 . 1 . . . . . . . . 4833 1 623 . 1 1 53 53 PHE HZ H 1 7.26 0.02 . 1 . . . . . . . . 4833 1 624 . 1 1 53 53 PHE C C 13 179.06 0.05 . 1 . . . . . . . . 4833 1 625 . 1 1 54 54 GLN N N 15 121.16 0.02 . 1 . . . . . . . . 4833 1 626 . 1 1 54 54 GLN H H 1 9.45 0.02 . 1 . . . . . . . . 4833 1 627 . 1 1 54 54 GLN CA C 13 53.85 0.05 . 1 . . . . . . . . 4833 1 628 . 1 1 54 54 GLN HA H 1 4.82 0.02 . 1 . . . . . . . . 4833 1 629 . 1 1 54 54 GLN CB C 13 30.26 0.05 . 1 . . . . . . . . 4833 1 630 . 1 1 54 54 GLN HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4833 1 631 . 1 1 54 54 GLN HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4833 1 632 . 1 1 54 54 GLN CG C 13 33.39 0.05 . 1 . . . . . . . . 4833 1 633 . 1 1 54 54 GLN HG3 H 1 2.32 0.02 . 2 . . . . . . . . 4833 1 634 . 1 1 54 54 GLN HG2 H 1 2.62 0.02 . 2 . . . . . . . . 4833 1 635 . 1 1 54 54 GLN CD C 13 179.09 0.05 . 1 . . . . . . . . 4833 1 636 . 1 1 54 54 GLN NE2 N 15 112.65 0.02 . 1 . . . . . . . . 4833 1 637 . 1 1 54 54 GLN HE21 H 1 7.37 0.02 . 1 . . . . . . . . 4833 1 638 . 1 1 54 54 GLN HE22 H 1 6.72 0.02 . 1 . . . . . . . . 4833 1 639 . 1 1 54 54 GLN C C 13 174.90 0.05 . 1 . . . . . . . . 4833 1 640 . 1 1 55 55 ARG N N 15 129.96 0.02 . 1 . . . . . . . . 4833 1 641 . 1 1 55 55 ARG H H 1 10.21 0.02 . 1 . . . . . . . . 4833 1 642 . 1 1 55 55 ARG CA C 13 61.32 0.05 . 1 . . . . . . . . 4833 1 643 . 1 1 55 55 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4833 1 644 . 1 1 55 55 ARG CB C 13 32.40 0.05 . 1 . . . . . . . . 4833 1 645 . 1 1 55 55 ARG HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4833 1 646 . 1 1 55 55 ARG HB2 H 1 2.38 0.02 . 2 . . . . . . . . 4833 1 647 . 1 1 55 55 ARG CG C 13 27.95 0.05 . 1 . . . . . . . . 4833 1 648 . 1 1 55 55 ARG HG2 H 1 1.79 0.02 . 2 . . . . . . . . 4833 1 649 . 1 1 55 55 ARG CD C 13 43.26 0.05 . 1 . . . . . . . . 4833 1 650 . 1 1 55 55 ARG HD3 H 1 3.29 0.02 . 2 . . . . . . . . 4833 1 651 . 1 1 55 55 ARG HD2 H 1 3.79 0.02 . 2 . . . . . . . . 4833 1 652 . 1 1 55 55 ARG NE N 15 82.88 0.02 . 1 . . . . . . . . 4833 1 653 . 1 1 55 55 ARG HE H 1 8.87 0.02 . 1 . . . . . . . . 4833 1 654 . 1 1 55 55 ARG C C 13 176.83 0.05 . 1 . . . . . . . . 4833 1 655 . 1 1 56 56 ASN N N 15 117.56 0.02 . 1 . . . . . . . . 4833 1 656 . 1 1 56 56 ASN H H 1 9.94 0.02 . 1 . . . . . . . . 4833 1 657 . 1 1 56 56 ASN CA C 13 51.83 0.05 . 1 . . . . . . . . 4833 1 658 . 1 1 56 56 ASN HA H 1 5.32 0.02 . 1 . . . . . . . . 4833 1 659 . 1 1 56 56 ASN CB C 13 42.49 0.05 . 1 . . . . . . . . 4833 1 660 . 1 1 56 56 ASN HB2 H 1 2.76 0.02 . 1 . . . . . . . . 4833 1 661 . 1 1 56 56 ASN HB3 H 1 2.87 0.02 . 1 . . . . . . . . 4833 1 662 . 1 1 56 56 ASN ND2 N 15 111.86 0.02 . 1 . . . . . . . . 4833 1 663 . 1 1 56 56 ASN HD21 H 1 7.64 0.02 . 1 . . . . . . . . 4833 1 664 . 1 1 56 56 ASN HD22 H 1 6.89 0.02 . 1 . . . . . . . . 4833 1 665 . 1 1 56 56 ASN C C 13 174.75 0.05 . 1 . . . . . . . . 4833 1 666 . 1 1 57 57 LEU N N 15 126.20 0.02 . 1 . . . . . . . . 4833 1 667 . 1 1 57 57 LEU H H 1 9.00 0.02 . 1 . . . . . . . . 4833 1 668 . 1 1 57 57 LEU CA C 13 57.92 0.05 . 1 . . . . . . . . 4833 1 669 . 1 1 57 57 LEU HA H 1 3.22 0.02 . 1 . . . . . . . . 4833 1 670 . 1 1 57 57 LEU CB C 13 41.67 0.05 . 1 . . . . . . . . 4833 1 671 . 1 1 57 57 LEU HB3 H 1 1.16 0.02 . 2 . . . . . . . . 4833 1 672 . 1 1 57 57 LEU HB2 H 1 1.38 0.02 . 2 . . . . . . . . 4833 1 673 . 1 1 57 57 LEU CG C 13 26.53 0.05 . 1 . . . . . . . . 4833 1 674 . 1 1 57 57 LEU HG H 1 1.24 0.02 . 1 . . . . . . . . 4833 1 675 . 1 1 57 57 LEU CD1 C 13 23.76 0.05 . 1 . . . . . . . . 4833 1 676 . 1 1 57 57 LEU HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 677 . 1 1 57 57 LEU HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 678 . 1 1 57 57 LEU HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 679 . 1 1 57 57 LEU CD2 C 13 25.00 0.05 . 1 . . . . . . . . 4833 1 680 . 1 1 57 57 LEU HD21 H 1 0.76 0.02 . 1 . . . . . . . . 4833 1 681 . 1 1 57 57 LEU HD22 H 1 0.76 0.02 . 1 . . . . . . . . 4833 1 682 . 1 1 57 57 LEU HD23 H 1 0.76 0.02 . 1 . . . . . . . . 4833 1 683 . 1 1 57 57 LEU C C 13 176.83 0.05 . 1 . . . . . . . . 4833 1 684 . 1 1 58 58 SER N N 15 110.06 0.02 . 1 . . . . . . . . 4833 1 685 . 1 1 58 58 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4833 1 686 . 1 1 58 58 SER CA C 13 59.13 0.05 . 1 . . . . . . . . 4833 1 687 . 1 1 58 58 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4833 1 688 . 1 1 58 58 SER CB C 13 63.23 0.05 . 1 . . . . . . . . 4833 1 689 . 1 1 58 58 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4833 1 690 . 1 1 58 58 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4833 1 691 . 1 1 58 58 SER C C 13 173.01 0.05 . 1 . . . . . . . . 4833 1 692 . 1 1 59 59 ASP N N 15 121.09 0.02 . 1 . . . . . . . . 4833 1 693 . 1 1 59 59 ASP H H 1 7.32 0.02 . 1 . . . . . . . . 4833 1 694 . 1 1 59 59 ASP CA C 13 49.97 0.05 . 1 . . . . . . . . 4833 1 695 . 1 1 59 59 ASP HA H 1 5.25 0.02 . 1 . . . . . . . . 4833 1 696 . 1 1 59 59 ASP CB C 13 42.86 0.05 . 1 . . . . . . . . 4833 1 697 . 1 1 59 59 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4833 1 698 . 1 1 59 59 ASP HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4833 1 699 . 1 1 60 60 PRO CA C 13 62.74 0.05 . 1 . . . . . . . . 4833 1 700 . 1 1 60 60 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4833 1 701 . 1 1 60 60 PRO CB C 13 31.64 0.05 . 1 . . . . . . . . 4833 1 702 . 1 1 60 60 PRO HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4833 1 703 . 1 1 60 60 PRO HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4833 1 704 . 1 1 60 60 PRO CG C 13 26.30 0.05 . 1 . . . . . . . . 4833 1 705 . 1 1 60 60 PRO HG3 H 1 1.90 0.02 . 2 . . . . . . . . 4833 1 706 . 1 1 60 60 PRO HG2 H 1 2.02 0.02 . 2 . . . . . . . . 4833 1 707 . 1 1 60 60 PRO CD C 13 50.66 0.05 . 1 . . . . . . . . 4833 1 708 . 1 1 60 60 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 4833 1 709 . 1 1 60 60 PRO HD2 H 1 3.97 0.02 . 2 . . . . . . . . 4833 1 710 . 1 1 60 60 PRO C C 13 175.98 0.05 . 1 . . . . . . . . 4833 1 711 . 1 1 61 61 ARG N N 15 122.39 0.02 . 1 . . . . . . . . 4833 1 712 . 1 1 61 61 ARG H H 1 7.92 0.02 . 1 . . . . . . . . 4833 1 713 . 1 1 61 61 ARG CA C 13 56.92 0.05 . 1 . . . . . . . . 4833 1 714 . 1 1 61 61 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 4833 1 715 . 1 1 61 61 ARG CB C 13 30.59 0.05 . 1 . . . . . . . . 4833 1 716 . 1 1 61 61 ARG HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4833 1 717 . 1 1 61 61 ARG HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4833 1 718 . 1 1 61 61 ARG CG C 13 26.81 0.05 . 1 . . . . . . . . 4833 1 719 . 1 1 61 61 ARG HG3 H 1 1.57 0.02 . 2 . . . . . . . . 4833 1 720 . 1 1 61 61 ARG HG2 H 1 1.63 0.02 . 2 . . . . . . . . 4833 1 721 . 1 1 61 61 ARG CD C 13 43.30 0.05 . 1 . . . . . . . . 4833 1 722 . 1 1 61 61 ARG HD3 H 1 3.23 0.02 . 2 . . . . . . . . 4833 1 723 . 1 1 61 61 ARG C C 13 175.06 0.05 . 1 . . . . . . . . 4833 1 724 . 1 1 62 62 LEU N N 15 124.38 0.02 . 1 . . . . . . . . 4833 1 725 . 1 1 62 62 LEU H H 1 8.38 0.02 . 1 . . . . . . . . 4833 1 726 . 1 1 62 62 LEU CA C 13 53.44 0.05 . 1 . . . . . . . . 4833 1 727 . 1 1 62 62 LEU HA H 1 4.77 0.02 . 1 . . . . . . . . 4833 1 728 . 1 1 62 62 LEU CB C 13 43.04 0.05 . 1 . . . . . . . . 4833 1 729 . 1 1 62 62 LEU HB3 H 1 1.15 0.02 . 2 . . . . . . . . 4833 1 730 . 1 1 62 62 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4833 1 731 . 1 1 62 62 LEU CG C 13 26.65 0.05 . 1 . . . . . . . . 4833 1 732 . 1 1 62 62 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 4833 1 733 . 1 1 62 62 LEU CD1 C 13 25.25 0.05 . 1 . . . . . . . . 4833 1 734 . 1 1 62 62 LEU HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4833 1 735 . 1 1 62 62 LEU HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4833 1 736 . 1 1 62 62 LEU HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4833 1 737 . 1 1 62 62 LEU CD2 C 13 23.53 0.05 . 1 . . . . . . . . 4833 1 738 . 1 1 62 62 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 739 . 1 1 62 62 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 740 . 1 1 62 62 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 741 . 1 1 62 62 LEU C C 13 176.96 0.05 . 1 . . . . . . . . 4833 1 742 . 1 1 63 63 GLU N N 15 123.20 0.02 . 1 . . . . . . . . 4833 1 743 . 1 1 63 63 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 4833 1 744 . 1 1 63 63 GLU CA C 13 54.28 0.05 . 1 . . . . . . . . 4833 1 745 . 1 1 63 63 GLU HA H 1 4.42 0.02 . 1 . . . . . . . . 4833 1 746 . 1 1 63 63 GLU CB C 13 36.45 0.05 . 1 . . . . . . . . 4833 1 747 . 1 1 63 63 GLU HB2 H 1 0.64 0.02 . 1 . . . . . . . . 4833 1 748 . 1 1 63 63 GLU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4833 1 749 . 1 1 63 63 GLU CG C 13 38.11 0.05 . 1 . . . . . . . . 4833 1 750 . 1 1 63 63 GLU HG3 H 1 1.78 0.02 . 2 . . . . . . . . 4833 1 751 . 1 1 63 63 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4833 1 752 . 1 1 63 63 GLU C C 13 173.61 0.05 . 1 . . . . . . . . 4833 1 753 . 1 1 64 64 THR N N 15 109.89 0.02 . 1 . . . . . . . . 4833 1 754 . 1 1 64 64 THR H H 1 8.17 0.02 . 1 . . . . . . . . 4833 1 755 . 1 1 64 64 THR CA C 13 59.28 0.05 . 1 . . . . . . . . 4833 1 756 . 1 1 64 64 THR HA H 1 5.60 0.02 . 1 . . . . . . . . 4833 1 757 . 1 1 64 64 THR CB C 13 71.89 0.05 . 1 . . . . . . . . 4833 1 758 . 1 1 64 64 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 4833 1 759 . 1 1 64 64 THR CG2 C 13 20.79 0.05 . 1 . . . . . . . . 4833 1 760 . 1 1 64 64 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4833 1 761 . 1 1 64 64 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4833 1 762 . 1 1 64 64 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4833 1 763 . 1 1 64 64 THR C C 13 173.70 0.05 . 1 . . . . . . . . 4833 1 764 . 1 1 65 65 ILE N N 15 121.86 0.02 . 1 . . . . . . . . 4833 1 765 . 1 1 65 65 ILE H H 1 8.65 0.02 . 1 . . . . . . . . 4833 1 766 . 1 1 65 65 ILE CA C 13 59.82 0.05 . 1 . . . . . . . . 4833 1 767 . 1 1 65 65 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . 4833 1 768 . 1 1 65 65 ILE CB C 13 41.69 0.05 . 1 . . . . . . . . 4833 1 769 . 1 1 65 65 ILE HB H 1 1.34 0.02 . 1 . . . . . . . . 4833 1 770 . 1 1 65 65 ILE CG1 C 13 28.72 0.05 . 1 . . . . . . . . 4833 1 771 . 1 1 65 65 ILE HG12 H 1 0.32 0.02 . 2 . . . . . . . . 4833 1 772 . 1 1 65 65 ILE HG13 H 1 1.21 0.02 . 2 . . . . . . . . 4833 1 773 . 1 1 65 65 ILE CD1 C 13 12.73 0.05 . 1 . . . . . . . . 4833 1 774 . 1 1 65 65 ILE HD11 H 1 -0.04 0.02 . 1 . . . . . . . . 4833 1 775 . 1 1 65 65 ILE HD12 H 1 -0.04 0.02 . 1 . . . . . . . . 4833 1 776 . 1 1 65 65 ILE HD13 H 1 -0.04 0.02 . 1 . . . . . . . . 4833 1 777 . 1 1 65 65 ILE CG2 C 13 15.36 0.05 . 1 . . . . . . . . 4833 1 778 . 1 1 65 65 ILE HG21 H 1 -0.18 0.02 . 1 . . . . . . . . 4833 1 779 . 1 1 65 65 ILE HG22 H 1 -0.18 0.02 . 1 . . . . . . . . 4833 1 780 . 1 1 65 65 ILE HG23 H 1 -0.18 0.02 . 1 . . . . . . . . 4833 1 781 . 1 1 65 65 ILE C C 13 180.82 0.05 . 1 . . . . . . . . 4833 1 782 . 1 1 66 66 THR N N 15 123.54 0.02 . 1 . . . . . . . . 4833 1 783 . 1 1 66 66 THR H H 1 8.36 0.02 . 1 . . . . . . . . 4833 1 784 . 1 1 66 66 THR CA C 13 60.68 0.05 . 1 . . . . . . . . 4833 1 785 . 1 1 66 66 THR HA H 1 5.62 0.02 . 1 . . . . . . . . 4833 1 786 . 1 1 66 66 THR CB C 13 70.73 0.05 . 1 . . . . . . . . 4833 1 787 . 1 1 66 66 THR HB H 1 3.77 0.02 . 1 . . . . . . . . 4833 1 788 . 1 1 66 66 THR CG2 C 13 20.04 0.05 . 1 . . . . . . . . 4833 1 789 . 1 1 66 66 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 790 . 1 1 66 66 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 791 . 1 1 66 66 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4833 1 792 . 1 1 66 66 THR C C 13 173.37 0.05 . 1 . . . . . . . . 4833 1 793 . 1 1 67 67 LEU N N 15 129.84 0.02 . 1 . . . . . . . . 4833 1 794 . 1 1 67 67 LEU H H 1 9.66 0.02 . 1 . . . . . . . . 4833 1 795 . 1 1 67 67 LEU CA C 13 53.47 0.05 . 1 . . . . . . . . 4833 1 796 . 1 1 67 67 LEU HA H 1 4.60 0.02 . 1 . . . . . . . . 4833 1 797 . 1 1 67 67 LEU CB C 13 44.06 0.05 . 1 . . . . . . . . 4833 1 798 . 1 1 67 67 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4833 1 799 . 1 1 67 67 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4833 1 800 . 1 1 67 67 LEU CG C 13 27.81 0.05 . 1 . . . . . . . . 4833 1 801 . 1 1 67 67 LEU HG H 1 1.44 0.02 . 1 . . . . . . . . 4833 1 802 . 1 1 67 67 LEU CD1 C 13 25.32 0.05 . 1 . . . . . . . . 4833 1 803 . 1 1 67 67 LEU HD11 H 1 0.66 0.02 . 1 . . . . . . . . 4833 1 804 . 1 1 67 67 LEU HD12 H 1 0.66 0.02 . 1 . . . . . . . . 4833 1 805 . 1 1 67 67 LEU HD13 H 1 0.66 0.02 . 1 . . . . . . . . 4833 1 806 . 1 1 67 67 LEU CD2 C 13 24.41 0.05 . 1 . . . . . . . . 4833 1 807 . 1 1 67 67 LEU HD21 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 808 . 1 1 67 67 LEU HD22 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 809 . 1 1 67 67 LEU HD23 H 1 0.72 0.02 . 1 . . . . . . . . 4833 1 810 . 1 1 67 67 LEU C C 13 175.29 0.05 . 1 . . . . . . . . 4833 1 811 . 1 1 68 68 GLN N N 15 117.63 0.02 . 1 . . . . . . . . 4833 1 812 . 1 1 68 68 GLN H H 1 8.22 0.02 . 1 . . . . . . . . 4833 1 813 . 1 1 68 68 GLN CA C 13 53.29 0.05 . 1 . . . . . . . . 4833 1 814 . 1 1 68 68 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4833 1 815 . 1 1 68 68 GLN CB C 13 28.20 0.05 . 1 . . . . . . . . 4833 1 816 . 1 1 68 68 GLN HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4833 1 817 . 1 1 68 68 GLN HB3 H 1 2.38 0.02 . 1 . . . . . . . . 4833 1 818 . 1 1 68 68 GLN CG C 13 33.20 0.05 . 1 . . . . . . . . 4833 1 819 . 1 1 68 68 GLN HG2 H 1 2.47 0.02 . 2 . . . . . . . . 4833 1 820 . 1 1 68 68 GLN CD C 13 179.69 0.05 . 1 . . . . . . . . 4833 1 821 . 1 1 68 68 GLN NE2 N 15 113.83 0.02 . 1 . . . . . . . . 4833 1 822 . 1 1 68 68 GLN HE21 H 1 7.62 0.02 . 1 . . . . . . . . 4833 1 823 . 1 1 68 68 GLN HE22 H 1 6.83 0.02 . 1 . . . . . . . . 4833 1 824 . 1 1 68 68 GLN C C 13 174.42 0.05 . 1 . . . . . . . . 4833 1 825 . 1 1 69 69 LYS N N 15 118.42 0.02 . 1 . . . . . . . . 4833 1 826 . 1 1 69 69 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 4833 1 827 . 1 1 69 69 LYS CA C 13 58.11 0.05 . 1 . . . . . . . . 4833 1 828 . 1 1 69 69 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 4833 1 829 . 1 1 69 69 LYS CB C 13 33.38 0.05 . 1 . . . . . . . . 4833 1 830 . 1 1 69 69 LYS HB3 H 1 1.20 0.02 . 1 . . . . . . . . 4833 1 831 . 1 1 69 69 LYS HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4833 1 832 . 1 1 69 69 LYS CG C 13 26.05 0.05 . 1 . . . . . . . . 4833 1 833 . 1 1 69 69 LYS HG3 H 1 0.81 0.02 . 2 . . . . . . . . 4833 1 834 . 1 1 69 69 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 4833 1 835 . 1 1 69 69 LYS CD C 13 29.63 0.05 . 1 . . . . . . . . 4833 1 836 . 1 1 69 69 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 4833 1 837 . 1 1 69 69 LYS CE C 13 41.97 0.05 . 1 . . . . . . . . 4833 1 838 . 1 1 69 69 LYS HE3 H 1 2.60 0.02 . 2 . . . . . . . . 4833 1 839 . 1 1 69 69 LYS HE2 H 1 2.89 0.02 . 2 . . . . . . . . 4833 1 840 . 1 1 69 69 LYS C C 13 177.68 0.05 . 1 . . . . . . . . 4833 1 841 . 1 1 70 70 TRP N N 15 119.59 0.02 . 1 . . . . . . . . 4833 1 842 . 1 1 70 70 TRP H H 1 9.43 0.02 . 1 . . . . . . . . 4833 1 843 . 1 1 70 70 TRP CA C 13 56.29 0.05 . 1 . . . . . . . . 4833 1 844 . 1 1 70 70 TRP HA H 1 4.89 0.02 . 1 . . . . . . . . 4833 1 845 . 1 1 70 70 TRP CB C 13 25.75 0.05 . 1 . . . . . . . . 4833 1 846 . 1 1 70 70 TRP HB3 H 1 3.39 0.02 . 2 . . . . . . . . 4833 1 847 . 1 1 70 70 TRP HB2 H 1 3.44 0.02 . 2 . . . . . . . . 4833 1 848 . 1 1 70 70 TRP CD1 C 13 127.16 0.05 . 1 . . . . . . . . 4833 1 849 . 1 1 70 70 TRP HD1 H 1 7.04 0.02 . 1 . . . . . . . . 4833 1 850 . 1 1 70 70 TRP NE1 N 15 126.86 0.02 . 1 . . . . . . . . 4833 1 851 . 1 1 70 70 TRP HE1 H 1 9.97 0.02 . 1 . . . . . . . . 4833 1 852 . 1 1 70 70 TRP CZ2 C 13 113.89 0.05 . 1 . . . . . . . . 4833 1 853 . 1 1 70 70 TRP HZ2 H 1 7.40 0.02 . 1 . . . . . . . . 4833 1 854 . 1 1 70 70 TRP CH2 C 13 124.18 0.05 . 1 . . . . . . . . 4833 1 855 . 1 1 70 70 TRP HH2 H 1 7.10 0.02 . 1 . . . . . . . . 4833 1 856 . 1 1 70 70 TRP CZ3 C 13 121.64 0.05 . 1 . . . . . . . . 4833 1 857 . 1 1 70 70 TRP HZ3 H 1 7.17 0.02 . 1 . . . . . . . . 4833 1 858 . 1 1 70 70 TRP CE3 C 13 121.30 0.05 . 1 . . . . . . . . 4833 1 859 . 1 1 70 70 TRP HE3 H 1 7.70 0.02 . 1 . . . . . . . . 4833 1 860 . 1 1 70 70 TRP C C 13 176.35 0.05 . 1 . . . . . . . . 4833 1 861 . 1 1 71 71 GLY N N 15 108.20 0.02 . 1 . . . . . . . . 4833 1 862 . 1 1 71 71 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 4833 1 863 . 1 1 71 71 GLY CA C 13 44.06 0.05 . 1 . . . . . . . . 4833 1 864 . 1 1 71 71 GLY HA2 H 1 3.69 0.02 . 1 . . . . . . . . 4833 1 865 . 1 1 71 71 GLY HA3 H 1 4.64 0.02 . 1 . . . . . . . . 4833 1 866 . 1 1 71 71 GLY C C 13 179.77 0.05 . 1 . . . . . . . . 4833 1 867 . 1 1 72 72 SER N N 15 113.79 0.02 . 1 . . . . . . . . 4833 1 868 . 1 1 72 72 SER H H 1 8.24 0.02 . 1 . . . . . . . . 4833 1 869 . 1 1 72 72 SER CA C 13 56.89 0.05 . 1 . . . . . . . . 4833 1 870 . 1 1 72 72 SER HA H 1 5.60 0.02 . 1 . . . . . . . . 4833 1 871 . 1 1 72 72 SER CB C 13 65.51 0.05 . 1 . . . . . . . . 4833 1 872 . 1 1 72 72 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4833 1 873 . 1 1 72 72 SER HB2 H 1 4.01 0.02 . 2 . . . . . . . . 4833 1 874 . 1 1 72 72 SER C C 13 173.22 0.05 . 1 . . . . . . . . 4833 1 875 . 1 1 73 73 TRP N N 15 125.90 0.02 . 1 . . . . . . . . 4833 1 876 . 1 1 73 73 TRP H H 1 9.26 0.02 . 1 . . . . . . . . 4833 1 877 . 1 1 73 73 TRP CA C 13 55.50 0.05 . 1 . . . . . . . . 4833 1 878 . 1 1 73 73 TRP HA H 1 5.09 0.02 . 1 . . . . . . . . 4833 1 879 . 1 1 73 73 TRP CB C 13 31.70 0.05 . 1 . . . . . . . . 4833 1 880 . 1 1 73 73 TRP HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4833 1 881 . 1 1 73 73 TRP HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4833 1 882 . 1 1 73 73 TRP CD1 C 13 125.56 0.05 . 1 . . . . . . . . 4833 1 883 . 1 1 73 73 TRP HD1 H 1 7.32 0.02 . 1 . . . . . . . . 4833 1 884 . 1 1 73 73 TRP NE1 N 15 130.92 0.02 . 1 . . . . . . . . 4833 1 885 . 1 1 73 73 TRP HE1 H 1 10.33 0.02 . 1 . . . . . . . . 4833 1 886 . 1 1 73 73 TRP CZ2 C 13 113.64 0.05 . 1 . . . . . . . . 4833 1 887 . 1 1 73 73 TRP HZ2 H 1 6.78 0.02 . 1 . . . . . . . . 4833 1 888 . 1 1 73 73 TRP CH2 C 13 124.61 0.05 . 1 . . . . . . . . 4833 1 889 . 1 1 73 73 TRP HH2 H 1 4.96 0.02 . 1 . . . . . . . . 4833 1 890 . 1 1 73 73 TRP CZ3 C 13 119.71 0.05 . 1 . . . . . . . . 4833 1 891 . 1 1 73 73 TRP HZ3 H 1 6.13 0.02 . 1 . . . . . . . . 4833 1 892 . 1 1 73 73 TRP CE3 C 13 118.63 0.05 . 1 . . . . . . . . 4833 1 893 . 1 1 73 73 TRP HE3 H 1 6.94 0.02 . 1 . . . . . . . . 4833 1 894 . 1 1 74 74 ASN CA C 13 50.27 0.05 . 1 . . . . . . . . 4833 1 895 . 1 1 74 74 ASN HA H 1 5.26 0.02 . 1 . . . . . . . . 4833 1 896 . 1 1 74 74 ASN CB C 13 38.52 0.05 . 1 . . . . . . . . 4833 1 897 . 1 1 74 74 ASN HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4833 1 898 . 1 1 74 74 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4833 1 899 . 1 1 74 74 ASN CG C 13 176.90 0.05 . 1 . . . . . . . . 4833 1 900 . 1 1 74 74 ASN ND2 N 15 109.54 0.02 . 1 . . . . . . . . 4833 1 901 . 1 1 74 74 ASN HD21 H 1 7.22 0.02 . 1 . . . . . . . . 4833 1 902 . 1 1 74 74 ASN HD22 H 1 6.41 0.02 . 1 . . . . . . . . 4833 1 903 . 1 1 75 75 PRO CA C 13 62.48 0.05 . 1 . . . . . . . . 4833 1 904 . 1 1 75 75 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 4833 1 905 . 1 1 75 75 PRO CB C 13 32.17 0.05 . 1 . . . . . . . . 4833 1 906 . 1 1 75 75 PRO HB3 H 1 1.33 0.02 . 2 . . . . . . . . 4833 1 907 . 1 1 75 75 PRO HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4833 1 908 . 1 1 75 75 PRO CG C 13 24.92 0.05 . 1 . . . . . . . . 4833 1 909 . 1 1 75 75 PRO HG3 H 1 -0.53 0.02 . 2 . . . . . . . . 4833 1 910 . 1 1 75 75 PRO HG2 H 1 0.72 0.02 . 2 . . . . . . . . 4833 1 911 . 1 1 75 75 PRO CD C 13 48.90 0.05 . 1 . . . . . . . . 4833 1 912 . 1 1 75 75 PRO HD3 H 1 1.14 0.02 . 2 . . . . . . . . 4833 1 913 . 1 1 75 75 PRO HD2 H 1 3.31 0.02 . 2 . . . . . . . . 4833 1 914 . 1 1 75 75 PRO C C 13 176.80 0.05 . 1 . . . . . . . . 4833 1 915 . 1 1 76 76 GLY N N 15 113.44 0.02 . 1 . . . . . . . . 4833 1 916 . 1 1 76 76 GLY H H 1 7.91 0.02 . 1 . . . . . . . . 4833 1 917 . 1 1 76 76 GLY CA C 13 46.86 0.05 . 1 . . . . . . . . 4833 1 918 . 1 1 76 76 GLY HA3 H 1 3.49 0.02 . 1 . . . . . . . . 4833 1 919 . 1 1 76 76 GLY HA2 H 1 4.52 0.02 . 1 . . . . . . . . 4833 1 920 . 1 1 76 76 GLY C C 13 174.39 0.05 . 1 . . . . . . . . 4833 1 921 . 1 1 77 77 HIS N N 15 120.22 0.02 . 1 . . . . . . . . 4833 1 922 . 1 1 77 77 HIS H H 1 7.43 0.02 . 1 . . . . . . . . 4833 1 923 . 1 1 77 77 HIS CA C 13 59.06 0.05 . 1 . . . . . . . . 4833 1 924 . 1 1 77 77 HIS HA H 1 4.49 0.02 . 1 . . . . . . . . 4833 1 925 . 1 1 77 77 HIS CB C 13 32.39 0.05 . 1 . . . . . . . . 4833 1 926 . 1 1 77 77 HIS HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4833 1 927 . 1 1 77 77 HIS HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4833 1 928 . 1 1 77 77 HIS HD2 H 1 6.99 0.02 . 1 . . . . . . . . 4833 1 929 . 1 1 77 77 HIS CE1 C 13 137.92 0.05 . 1 . . . . . . . . 4833 1 930 . 1 1 77 77 HIS HE1 H 1 7.89 0.02 . 1 . . . . . . . . 4833 1 931 . 1 1 77 77 HIS C C 13 173.26 0.05 . 1 . . . . . . . . 4833 1 932 . 1 1 78 78 ILE N N 15 127.36 0.02 . 1 . . . . . . . . 4833 1 933 . 1 1 78 78 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 4833 1 934 . 1 1 78 78 ILE CA C 13 56.49 0.05 . 1 . . . . . . . . 4833 1 935 . 1 1 78 78 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 4833 1 936 . 1 1 78 78 ILE CB C 13 39.38 0.05 . 1 . . . . . . . . 4833 1 937 . 1 1 78 78 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 4833 1 938 . 1 1 78 78 ILE CG1 C 13 25.94 0.05 . 1 . . . . . . . . 4833 1 939 . 1 1 78 78 ILE HG12 H 1 0.61 0.02 . 2 . . . . . . . . 4833 1 940 . 1 1 78 78 ILE HG13 H 1 0.79 0.02 . 2 . . . . . . . . 4833 1 941 . 1 1 78 78 ILE CD1 C 13 11.08 0.05 . 1 . . . . . . . . 4833 1 942 . 1 1 78 78 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 4833 1 943 . 1 1 78 78 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 4833 1 944 . 1 1 78 78 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 4833 1 945 . 1 1 78 78 ILE CG2 C 13 18.70 0.05 . 1 . . . . . . . . 4833 1 946 . 1 1 78 78 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 4833 1 947 . 1 1 78 78 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 4833 1 948 . 1 1 78 78 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 4833 1 949 . 1 1 78 78 ILE C C 13 174.84 0.05 . 1 . . . . . . . . 4833 1 950 . 1 1 79 79 HIS N N 15 126.30 0.02 . 1 . . . . . . . . 4833 1 951 . 1 1 79 79 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 4833 1 952 . 1 1 79 79 HIS CA C 13 60.73 0.05 . 1 . . . . . . . . 4833 1 953 . 1 1 79 79 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . 4833 1 954 . 1 1 79 79 HIS CB C 13 30.48 0.05 . 1 . . . . . . . . 4833 1 955 . 1 1 79 79 HIS HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4833 1 956 . 1 1 79 79 HIS HB2 H 1 3.14 0.02 . 2 . . . . . . . . 4833 1 957 . 1 1 79 79 HIS HD2 H 1 6.83 0.02 . 1 . . . . . . . . 4833 1 958 . 1 1 79 79 HIS CE1 C 13 139.32 0.05 . 1 . . . . . . . . 4833 1 959 . 1 1 79 79 HIS HE1 H 1 7.88 0.02 . 1 . . . . . . . . 4833 1 960 . 1 1 79 79 HIS C C 13 175.43 0.05 . 1 . . . . . . . . 4833 1 961 . 1 1 80 80 GLU N N 15 116.12 0.02 . 1 . . . . . . . . 4833 1 962 . 1 1 80 80 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4833 1 963 . 1 1 80 80 GLU CA C 13 55.11 0.05 . 1 . . . . . . . . 4833 1 964 . 1 1 80 80 GLU HA H 1 4.91 0.02 . 1 . . . . . . . . 4833 1 965 . 1 1 80 80 GLU CB C 13 34.49 0.05 . 1 . . . . . . . . 4833 1 966 . 1 1 80 80 GLU HB2 H 1 1.47 0.02 . 2 . . . . . . . . 4833 1 967 . 1 1 80 80 GLU C C 13 175.65 0.05 . 1 . . . . . . . . 4833 1 968 . 1 1 81 81 ILE N N 15 125.48 0.02 . 1 . . . . . . . . 4833 1 969 . 1 1 81 81 ILE H H 1 9.11 0.02 . 1 . . . . . . . . 4833 1 970 . 1 1 81 81 ILE CA C 13 61.31 0.05 . 1 . . . . . . . . 4833 1 971 . 1 1 81 81 ILE HA H 1 4.32 0.02 . 1 . . . . . . . . 4833 1 972 . 1 1 81 81 ILE CB C 13 38.38 0.05 . 1 . . . . . . . . 4833 1 973 . 1 1 81 81 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 4833 1 974 . 1 1 81 81 ILE CG1 C 13 28.46 0.05 . 1 . . . . . . . . 4833 1 975 . 1 1 81 81 ILE HG12 H 1 1.10 0.02 . 2 . . . . . . . . 4833 1 976 . 1 1 81 81 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 4833 1 977 . 1 1 81 81 ILE CD1 C 13 14.18 0.05 . 1 . . . . . . . . 4833 1 978 . 1 1 81 81 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 979 . 1 1 81 81 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 980 . 1 1 81 81 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4833 1 981 . 1 1 81 81 ILE CG2 C 13 17.62 0.05 . 1 . . . . . . . . 4833 1 982 . 1 1 81 81 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4833 1 983 . 1 1 81 81 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4833 1 984 . 1 1 81 81 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4833 1 985 . 1 1 81 81 ILE C C 13 174.10 0.05 . 1 . . . . . . . . 4833 1 986 . 1 1 82 82 LEU N N 15 125.61 0.02 . 1 . . . . . . . . 4833 1 987 . 1 1 82 82 LEU H H 1 8.60 0.02 . 1 . . . . . . . . 4833 1 988 . 1 1 82 82 LEU CA C 13 55.47 0.05 . 1 . . . . . . . . 4833 1 989 . 1 1 82 82 LEU HA H 1 5.11 0.02 . 1 . . . . . . . . 4833 1 990 . 1 1 82 82 LEU CB C 13 45.06 0.05 . 1 . . . . . . . . 4833 1 991 . 1 1 82 82 LEU HB2 H 1 1.21 0.02 . 1 . . . . . . . . 4833 1 992 . 1 1 82 82 LEU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4833 1 993 . 1 1 82 82 LEU CG C 13 29.08 0.05 . 1 . . . . . . . . 4833 1 994 . 1 1 82 82 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 4833 1 995 . 1 1 82 82 LEU CD1 C 13 26.18 0.05 . 1 . . . . . . . . 4833 1 996 . 1 1 82 82 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 997 . 1 1 82 82 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 998 . 1 1 82 82 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4833 1 999 . 1 1 82 82 LEU CD2 C 13 25.18 0.05 . 1 . . . . . . . . 4833 1 1000 . 1 1 82 82 LEU HD21 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 1001 . 1 1 82 82 LEU HD22 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 1002 . 1 1 82 82 LEU HD23 H 1 0.85 0.02 . 1 . . . . . . . . 4833 1 1003 . 1 1 82 82 LEU C C 13 178.54 0.05 . 1 . . . . . . . . 4833 1 1004 . 1 1 83 83 SER N N 15 112.83 0.02 . 1 . . . . . . . . 4833 1 1005 . 1 1 83 83 SER H H 1 7.55 0.02 . 1 . . . . . . . . 4833 1 1006 . 1 1 83 83 SER CA C 13 57.93 0.05 . 1 . . . . . . . . 4833 1 1007 . 1 1 83 83 SER HA H 1 4.91 0.02 . 1 . . . . . . . . 4833 1 1008 . 1 1 83 83 SER CB C 13 64.01 0.05 . 1 . . . . . . . . 4833 1 1009 . 1 1 83 83 SER HB2 H 1 3.61 0.02 . 2 . . . . . . . . 4833 1 1010 . 1 1 83 83 SER C C 13 181.06 0.05 . 1 . . . . . . . . 4833 1 1011 . 1 1 84 84 ILE N N 15 122.25 0.02 . 1 . . . . . . . . 4833 1 1012 . 1 1 84 84 ILE H H 1 8.16 0.02 . 1 . . . . . . . . 4833 1 1013 . 1 1 84 84 ILE CA C 13 60.18 0.05 . 1 . . . . . . . . 4833 1 1014 . 1 1 84 84 ILE HA H 1 4.25 0.02 . 1 . . . . . . . . 4833 1 1015 . 1 1 84 84 ILE CB C 13 42.18 0.05 . 1 . . . . . . . . 4833 1 1016 . 1 1 84 84 ILE HB H 1 1.12 0.02 . 1 . . . . . . . . 4833 1 1017 . 1 1 84 84 ILE CG1 C 13 25.96 0.05 . 1 . . . . . . . . 4833 1 1018 . 1 1 84 84 ILE HG12 H 1 0.41 0.02 . 2 . . . . . . . . 4833 1 1019 . 1 1 84 84 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4833 1 1020 . 1 1 84 84 ILE CD1 C 13 13.38 0.05 . 1 . . . . . . . . 4833 1 1021 . 1 1 84 84 ILE HD11 H 1 -0.36 0.02 . 1 . . . . . . . . 4833 1 1022 . 1 1 84 84 ILE HD12 H 1 -0.36 0.02 . 1 . . . . . . . . 4833 1 1023 . 1 1 84 84 ILE HD13 H 1 -0.36 0.02 . 1 . . . . . . . . 4833 1 1024 . 1 1 84 84 ILE CG2 C 13 18.00 0.05 . 1 . . . . . . . . 4833 1 1025 . 1 1 84 84 ILE HG21 H 1 0.31 0.02 . 1 . . . . . . . . 4833 1 1026 . 1 1 84 84 ILE HG22 H 1 0.31 0.02 . 1 . . . . . . . . 4833 1 1027 . 1 1 84 84 ILE HG23 H 1 0.31 0.02 . 1 . . . . . . . . 4833 1 1028 . 1 1 84 84 ILE C C 13 172.72 0.05 . 1 . . . . . . . . 4833 1 1029 . 1 1 85 85 ARG N N 15 126.25 0.02 . 1 . . . . . . . . 4833 1 1030 . 1 1 85 85 ARG H H 1 8.48 0.02 . 1 . . . . . . . . 4833 1 1031 . 1 1 85 85 ARG CA C 13 53.84 0.05 . 1 . . . . . . . . 4833 1 1032 . 1 1 85 85 ARG HA H 1 5.36 0.02 . 1 . . . . . . . . 4833 1 1033 . 1 1 85 85 ARG CB C 13 33.01 0.05 . 1 . . . . . . . . 4833 1 1034 . 1 1 85 85 ARG HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4833 1 1035 . 1 1 85 85 ARG CG C 13 26.33 0.05 . 1 . . . . . . . . 4833 1 1036 . 1 1 85 85 ARG HG3 H 1 0.40 0.02 . 2 . . . . . . . . 4833 1 1037 . 1 1 85 85 ARG HG2 H 1 1.13 0.02 . 2 . . . . . . . . 4833 1 1038 . 1 1 85 85 ARG CD C 13 43.43 0.05 . 1 . . . . . . . . 4833 1 1039 . 1 1 85 85 ARG HD3 H 1 2.47 0.02 . 2 . . . . . . . . 4833 1 1040 . 1 1 85 85 ARG HD2 H 1 2.64 0.02 . 2 . . . . . . . . 4833 1 1041 . 1 1 85 85 ARG C C 13 174.76 0.05 . 1 . . . . . . . . 4833 1 1042 . 1 1 86 86 ILE N N 15 126.80 0.02 . 1 . . . . . . . . 4833 1 1043 . 1 1 86 86 ILE H H 1 8.67 0.02 . 1 . . . . . . . . 4833 1 1044 . 1 1 86 86 ILE CA C 13 60.84 0.05 . 1 . . . . . . . . 4833 1 1045 . 1 1 86 86 ILE HA H 1 4.72 0.02 . 1 . . . . . . . . 4833 1 1046 . 1 1 86 86 ILE CB C 13 38.96 0.05 . 1 . . . . . . . . 4833 1 1047 . 1 1 86 86 ILE HB H 1 2.04 0.02 . 1 . . . . . . . . 4833 1 1048 . 1 1 86 86 ILE CG1 C 13 29.10 0.05 . 1 . . . . . . . . 4833 1 1049 . 1 1 86 86 ILE HG12 H 1 0.73 0.02 . 2 . . . . . . . . 4833 1 1050 . 1 1 86 86 ILE HG13 H 1 1.48 0.02 . 2 . . . . . . . . 4833 1 1051 . 1 1 86 86 ILE CD1 C 13 11.91 0.05 . 1 . . . . . . . . 4833 1 1052 . 1 1 86 86 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 1053 . 1 1 86 86 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 1054 . 1 1 86 86 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 4833 1 1055 . 1 1 86 86 ILE CG2 C 13 17.36 0.05 . 1 . . . . . . . . 4833 1 1056 . 1 1 86 86 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 1057 . 1 1 86 86 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 1058 . 1 1 86 86 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4833 1 1059 . 1 1 86 86 ILE C C 13 176.55 0.05 . 1 . . . . . . . . 4833 1 1060 . 1 1 87 87 TYR N N 15 133.93 0.02 . 1 . . . . . . . . 4833 1 1061 . 1 1 87 87 TYR H H 1 8.37 0.02 . 1 . . . . . . . . 4833 1 1062 . 1 1 87 87 TYR CA C 13 61.50 0.05 . 1 . . . . . . . . 4833 1 1063 . 1 1 87 87 TYR HA H 1 4.02 0.02 . 1 . . . . . . . . 4833 1 1064 . 1 1 87 87 TYR CB C 13 38.71 0.05 . 1 . . . . . . . . 4833 1 1065 . 1 1 87 87 TYR HB2 H 1 2.70 0.02 . 1 . . . . . . . . 4833 1 1066 . 1 1 87 87 TYR HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4833 1 1067 . 1 1 87 87 TYR CD1 C 13 132.99 0.05 . 3 . . . . . . . . 4833 1 1068 . 1 1 87 87 TYR HD1 H 1 7.11 0.02 . 3 . . . . . . . . 4833 1 1069 . 1 1 87 87 TYR CE1 C 13 116.86 0.05 . 3 . . . . . . . . 4833 1 1070 . 1 1 87 87 TYR HE1 H 1 6.78 0.02 . 3 . . . . . . . . 4833 1 stop_ save_ ######################## # Coupling constants # ######################## save_afp_JHNHa _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode afp_JHNHa _Coupling_constant_list.Entry_ID 4833 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 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 . 4833 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 3 3 ASN H . . . . 1 1 3 3 ASN HA . . . 8.16 . . 1.00 . . . . . . . . . . . 4833 1 2 3JHNHA . 1 1 4 4 ARG H . . . . 1 1 4 4 ARG HA . . . 7.24 . . 1.00 . . . . . . . . . . . 4833 1 3 3JHNHA . 1 1 5 5 THR H . . . . 1 1 5 5 THR HA . . . 7.97 . . 1.00 . . . . . . . . . . . 4833 1 4 3JHNHA . 1 1 8 8 ASN H . . . . 1 1 8 8 ASN HA . . . 7.78 . . 1.00 . . . . . . . . . . . 4833 1 5 3JHNHA . 1 1 12 12 TYR H . . . . 1 1 12 12 TYR HA . . . 7.33 . . 1.00 . . . . . . . . . . . 4833 1 6 3JHNHA . 1 1 13 13 LEU H . . . . 1 1 13 13 LEU HA . . . 7.64 . . 1.00 . . . . . . . . . . . 4833 1 7 3JHNHA . 1 1 14 14 GLU H . . . . 1 1 14 14 GLU HA . . . 9.48 . . 1.00 . . . . . . . . . . . 4833 1 8 3JHNHA . 1 1 15 15 ILE H . . . . 1 1 15 15 ILE HA . . . 8.99 . . 1.00 . . . . . . . . . . . 4833 1 9 3JHNHA . 1 1 16 16 HIS H . . . . 1 1 16 16 HIS HA . . . 8.63 . . 1.00 . . . . . . . . . . . 4833 1 10 3JHNHA . 1 1 17 17 ASN H . . . . 1 1 17 17 ASN HA . . . 7.98 . . 1.00 . . . . . . . . . . . 4833 1 11 3JHNHA . 1 1 18 18 ASN H . . . . 1 1 18 18 ASN HA . . . 8.10 . . 1.00 . . . . . . . . . . . 4833 1 12 3JHNHA . 1 1 19 19 GLU H . . . . 1 1 19 19 GLU HA . . . 6.61 . . 1.00 . . . . . . . . . . . 4833 1 13 3JHNHA . 1 1 21 21 ARG H . . . . 1 1 21 21 ARG HA . . . 7.95 . . 1.00 . . . . . . . . . . . 4833 1 14 3JHNHA . 1 1 22 22 ASP H . . . . 1 1 22 22 ASP HA . . . 10.19 . . 1.00 . . . . . . . . . . . 4833 1 15 3JHNHA . 1 1 23 23 THR H . . . . 1 1 23 23 THR HA . . . 8.49 . . 1.00 . . . . . . . . . . . 4833 1 16 3JHNHA . 1 1 24 24 LEU H . . . . 1 1 24 24 LEU HA . . . 9.43 . . 1.00 . . . . . . . . . . . 4833 1 17 3JHNHA . 1 1 25 25 CYS H . . . . 1 1 25 25 CYS HA . . . 9.90 . . 1.00 . . . . . . . . . . . 4833 1 18 3JHNHA . 1 1 26 26 PHE H . . . . 1 1 26 26 PHE HA . . . 9.49 . . 1.00 . . . . . . . . . . . 4833 1 19 3JHNHA . 1 1 27 27 ALA H . . . . 1 1 27 27 ALA HA . . . 8.81 . . 1.00 . . . . . . . . . . . 4833 1 20 3JHNHA . 1 1 28 28 ASN H . . . . 1 1 28 28 ASN HA . . . 6.37 . . 1.00 . . . . . . . . . . . 4833 1 21 3JHNHA . 1 1 29 29 ALA H . . . . 1 1 29 29 ALA HA . . . 3.76 . . 1.00 . . . . . . . . . . . 4833 1 22 3JHNHA . 1 1 31 31 THR H . . . . 1 1 31 31 THR HA . . . 8.34 . . 1.00 . . . . . . . . . . . 4833 1 23 3JHNHA . 1 1 32 32 MET H . . . . 1 1 32 32 MET HA . . . 8.92 . . 1.00 . . . . . . . . . . . 4833 1 24 3JHNHA . 1 1 34 34 VAL H . . . . 1 1 34 34 VAL HA . . . 8.79 . . 1.00 . . . . . . . . . . . 4833 1 25 3JHNHA . 1 1 35 35 ALA H . . . . 1 1 35 35 ALA HA . . . 8.79 . . 1.00 . . . . . . . . . . . 4833 1 26 3JHNHA . 1 1 36 36 ILE H . . . . 1 1 36 36 ILE HA . . . 10.65 . . 1.00 . . . . . . . . . . . 4833 1 27 3JHNHA . 1 1 37 37 TYR H . . . . 1 1 37 37 TYR HA . . . 8.30 . . 1.00 . . . . . . . . . . . 4833 1 28 3JHNHA . 1 1 39 39 VAL H . . . . 1 1 39 39 VAL HA . . . 6.28 . . 1.00 . . . . . . . . . . . 4833 1 29 3JHNHA . 1 1 40 40 ASN H . . . . 1 1 40 40 ASN HA . . . 10.40 . . 1.00 . . . . . . . . . . . 4833 1 30 3JHNHA . 1 1 41 41 TRP H . . . . 1 1 41 41 TRP HA . . . 5.34 . . 1.00 . . . . . . . . . . . 4833 1 31 3JHNHA . 1 1 42 42 VAL H . . . . 1 1 42 42 VAL HA . . . 9.78 . . 1.00 . . . . . . . . . . . 4833 1 32 3JHNHA . 1 1 43 43 GLU H . . . . 1 1 43 43 GLU HA . . . 8.58 . . 1.00 . . . . . . . . . . . 4833 1 33 3JHNHA . 1 1 44 44 SER H . . . . 1 1 44 44 SER HA . . . 6.64 . . 1.00 . . . . . . . . . . . 4833 1 34 3JHNHA . 1 1 46 46 ASN H . . . . 1 1 46 46 ASN HA . . . 3.00 . . 2.00 . . . . . . . . . . . 4833 1 35 3JHNHA . 1 1 47 47 ASN H . . . . 1 1 47 47 ASN HA . . . 9.16 . . 1.00 . . . . . . . . . . . 4833 1 36 3JHNHA . 1 1 48 48 VAL H . . . . 1 1 48 48 VAL HA . . . 9.54 . . 1.00 . . . . . . . . . . . 4833 1 37 3JHNHA . 1 1 49 49 VAL H . . . . 1 1 49 49 VAL HA . . . 10.41 . . 1.00 . . . . . . . . . . . 4833 1 38 3JHNHA . 1 1 50 50 THR H . . . . 1 1 50 50 THR HA . . . 9.45 . . 1.00 . . . . . . . . . . . 4833 1 39 3JHNHA . 1 1 51 51 LEU H . . . . 1 1 51 51 LEU HA . . . 10.21 . . 1.00 . . . . . . . . . . . 4833 1 40 3JHNHA . 1 1 52 52 GLN H . . . . 1 1 52 52 GLN HA . . . 8.09 . . 1.00 . . . . . . . . . . . 4833 1 41 3JHNHA . 1 1 53 53 PHE H . . . . 1 1 53 53 PHE HA . . . 9.00 . . 1.00 . . . . . . . . . . . 4833 1 42 3JHNHA . 1 1 54 54 GLN H . . . . 1 1 54 54 GLN HA . . . 10.04 . . 1.00 . . . . . . . . . . . 4833 1 43 3JHNHA . 1 1 55 55 ARG H . . . . 1 1 55 55 ARG HA . . . 3.64 . . 1.00 . . . . . . . . . . . 4833 1 44 3JHNHA . 1 1 56 56 ASN H . . . . 1 1 56 56 ASN HA . . . 9.80 . . 1.00 . . . . . . . . . . . 4833 1 45 3JHNHA . 1 1 59 59 ASP H . . . . 1 1 59 59 ASP HA . . . 9.82 . . 1.00 . . . . . . . . . . . 4833 1 46 3JHNHA . 1 1 61 61 ARG H . . . . 1 1 61 61 ARG HA . . . 5.15 . . 1.00 . . . . . . . . . . . 4833 1 47 3JHNHA . 1 1 62 62 LEU H . . . . 1 1 62 62 LEU HA . . . 7.81 . . 1.00 . . . . . . . . . . . 4833 1 48 3JHNHA . 1 1 63 63 GLU H . . . . 1 1 63 63 GLU HA . . . 10.11 . . 1.00 . . . . . . . . . . . 4833 1 49 3JHNHA . 1 1 64 64 THR H . . . . 1 1 64 64 THR HA . . . 9.11 . . 1.00 . . . . . . . . . . . 4833 1 50 3JHNHA . 1 1 65 65 ILE H . . . . 1 1 65 65 ILE HA . . . 8.12 . . 1.00 . . . . . . . . . . . 4833 1 51 3JHNHA . 1 1 66 66 THR H . . . . 1 1 66 66 THR HA . . . 9.51 . . 1.00 . . . . . . . . . . . 4833 1 52 3JHNHA . 1 1 67 67 LEU H . . . . 1 1 67 67 LEU HA . . . 10.07 . . 1.00 . . . . . . . . . . . 4833 1 53 3JHNHA . 1 1 68 68 GLN H . . . . 1 1 68 68 GLN HA . . . 8.45 . . 1.00 . . . . . . . . . . . 4833 1 54 3JHNHA . 1 1 69 69 LYS H . . . . 1 1 69 69 LYS HA . . . 3.04 . . 1.00 . . . . . . . . . . . 4833 1 55 3JHNHA . 1 1 70 70 TRP H . . . . 1 1 70 70 TRP HA . . . 7.63 . . 1.00 . . . . . . . . . . . 4833 1 56 3JHNHA . 1 1 72 72 SER H . . . . 1 1 72 72 SER HA . . . 10.35 . . 1.00 . . . . . . . . . . . 4833 1 57 3JHNHA . 1 1 73 73 TRP H . . . . 1 1 73 73 TRP HA . . . 10.00 . . 1.00 . . . . . . . . . . . 4833 1 58 3JHNHA . 1 1 77 77 HIS H . . . . 1 1 77 77 HIS HA . . . 7.27 . . 1.00 . . . . . . . . . . . 4833 1 59 3JHNHA . 1 1 78 78 ILE H . . . . 1 1 78 78 ILE HA . . . 9.17 . . 1.00 . . . . . . . . . . . 4833 1 60 3JHNHA . 1 1 79 79 HIS H . . . . 1 1 79 79 HIS HA . . . 3.18 . . 1.00 . . . . . . . . . . . 4833 1 61 3JHNHA . 1 1 80 80 GLU H . . . . 1 1 80 80 GLU HA . . . 7.69 . . 1.00 . . . . . . . . . . . 4833 1 62 3JHNHA . 1 1 81 81 ILE H . . . . 1 1 81 81 ILE HA . . . 8.46 . . 1.00 . . . . . . . . . . . 4833 1 63 3JHNHA . 1 1 82 82 LEU H . . . . 1 1 82 82 LEU HA . . . 10.28 . . 1.00 . . . . . . . . . . . 4833 1 64 3JHNHA . 1 1 83 83 SER H . . . . 1 1 83 83 SER HA . . . 6.50 . . 1.00 . . . . . . . . . . . 4833 1 65 3JHNHA . 1 1 84 84 ILE H . . . . 1 1 84 84 ILE HA . . . 10.04 . . 1.00 . . . . . . . . . . . 4833 1 66 3JHNHA . 1 1 85 85 ARG H . . . . 1 1 85 85 ARG HA . . . 9.25 . . 1.00 . . . . . . . . . . . 4833 1 67 3JHNHA . 1 1 86 86 ILE H . . . . 1 1 86 86 ILE HA . . . 9.36 . . 1.00 . . . . . . . . . . . 4833 1 68 3JHNHA . 1 1 87 87 TYR H . . . . 1 1 87 87 TYR HA . . . 8.58 . . 1.00 . . . . . . . . . . . 4833 1 stop_ save_