data_4829 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4829 _Entry.Title ; 1H, 15N and 13C resonance assignments for the DNA-binding domain of interleukin enhancer binding factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-09-14 _Entry.Accession_date 2000-09-14 _Entry.Last_release_date . _Entry.Original_release_date . _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 Pei-Phen Liu . . . 4829 2 Y.C. Chen . . . 4829 3 Chin Li . . . 4829 4 Yu-Huei Hsieh . . . 4829 5 Shu-Wan Chen . . . 4829 6 Shu-Huei Chen . . . 4829 7 W.Y. Jeng . . . 4829 8 Woei-Jer Chuang . . . 4829 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4829 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 612 4829 '13C chemical shifts' 298 4829 '15N chemical shifts' 105 4829 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 . . 2002-11-14 . update author 'Update the citation' 4829 2 . . 2001-11-14 . original author 'Original release' 4829 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4829 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12402362 _Citation.Full_citation . _Citation.Title ; Solution structure of the DNA-binding domain of interleukin enhancer binding factor 1 (FOXK1a) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct., Funct., Genet.' _Citation.Journal_name_full . _Citation.Journal_volume 49 _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 543 _Citation.Page_last 553 _Citation.Year 2002 _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 Pei-Phen Liu . . . 4829 1 2 Y.C. Chen . . . 4829 1 3 Chin Li . . . 4829 1 4 Yu-Huei Hsieh . . . 4829 1 5 Shu-Wan Chen . . . 4829 1 6 Shu-Huei Chen . . . 4829 1 7 W.Y. Jeng . . . 4829 1 8 Woei-Jer Chuang . . . 4829 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domain' 4829 1 'interleukin enhancer binding factor' 4829 1 'resonance assignment' 4829 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ILF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ILF _Assembly.Entry_ID 4829 _Assembly.ID 1 _Assembly.Name 'Interleukin enhancer binding factor' _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 'not present' _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 4829 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 ILF 1 $ILF . . . native . . . . . 4829 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Interleukin enhancer binding factor' system 4829 1 ILF abbreviation 4829 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA-binding protein' 4829 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ILF _Entity.Sf_category entity _Entity.Sf_framecode ILF _Entity.Entry_ID 4829 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Interleukin enhancer binding factor' _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 ; DSKPPYSYAQLIVQAITMAP DKQLTLNGIYTHITKNYPYY RTADKGWQNSIRHNLSLNRY FIKVPRSQEEPGKGSFWRID PASESKLIEQAFRKRRPR ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JXS . "Solution Structure Of The Dna-Binding Domain Of Interleukin Enhancer Binding Factor" . . . . . 100.00 98 100.00 100.00 2.22e-65 . . . . 4829 1 2 no PDB 2C6Y . "Crystal Structure Of Interleukin Enhancer-Binding Factor 1 Bound To Dna" . . . . . 100.00 111 100.00 100.00 1.05e-65 . . . . 4829 1 3 no DBJ BAE29561 . "unnamed protein product [Mus musculus]" . . . . . 100.00 513 98.98 100.00 3.66e-63 . . . . 4829 1 4 no EMBL CAA43200 . "transcription factor ILF [Homo sapiens]" . . . . . 100.00 543 100.00 100.00 1.43e-63 . . . . 4829 1 5 no EMBL CAG00839 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 100.00 512 97.96 98.98 8.64e-62 . . . . 4829 1 6 no GB AAB02820 . "interleukin enhancer binding factor 1 [Homo sapiens]" . . . . . 100.00 655 100.00 100.00 1.55e-62 . . . . 4829 1 7 no GB AAB02821 . "interleukin enhancer binding factor 2 [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.49e-62 . . . . 4829 1 8 no GB AAH46369 . "Foxk2 protein [Xenopus laevis]" . . . . . 100.00 642 98.98 100.00 3.81e-62 . . . . 4829 1 9 no GB AAI12950 . "Foxk2 protein [Xenopus laevis]" . . . . . 100.00 386 97.96 98.98 3.93e-62 . . . . 4829 1 10 no GB AAI52768 . "Forkhead box K2, partial [synthetic construct]" . . . . . 100.00 809 98.98 100.00 9.55e-62 . . . . 4829 1 11 no PIR B42827 . "interleukin enhancer-binding factor ILF-2 - human" . . . . . 100.00 497 97.96 97.96 5.44e-61 . . . . 4829 1 12 no REF NP_001074401 . "forkhead box protein K2 [Mus musculus]" . . . . . 100.00 651 98.98 100.00 2.01e-62 . . . . 4829 1 13 no REF NP_001100545 . "forkhead box protein K2 [Rattus norvegicus]" . . . . . 100.00 400 98.98 100.00 1.51e-64 . . . . 4829 1 14 no REF NP_001135634 . "forkhead box K2 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 645 98.98 100.00 2.44e-62 . . . . 4829 1 15 no REF NP_004505 . "forkhead box protein K2 [Homo sapiens]" . . . . . 100.00 660 100.00 100.00 1.36e-62 . . . . 4829 1 16 no REF XP_001114082 . "PREDICTED: forkhead box protein K2-like, partial [Macaca mulatta]" . . . . . 100.00 617 100.00 100.00 1.16e-62 . . . . 4829 1 17 no SP Q01167 . "RecName: Full=Forkhead box protein K2; AltName: Full=Cellular transcription factor ILF-1; AltName: Full=FOXK1; AltName: Full=In" . . . . . 100.00 660 100.00 100.00 1.36e-62 . . . . 4829 1 18 no SP Q3UCQ1 . "RecName: Full=Forkhead box protein K2; AltName: Full=Cellular transcription factor ILF-1; AltName: Full=Interleukin enhancer-bi" . . . . . 100.00 651 98.98 100.00 2.01e-62 . . . . 4829 1 19 no SP Q7ZX03 . "RecName: Full=Forkhead box protein K2; Short=FoxK2; AltName: Full=Interleukin enhancer-binding factor 1; Short=ILF1; Short=xFox" . . . . . 100.00 642 98.98 100.00 3.93e-62 . . . . 4829 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Interleukin enhancer binding factor' common 4829 1 ILF abbreviation 4829 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 . ASP . 4829 1 2 . SER . 4829 1 3 . LYS . 4829 1 4 . PRO . 4829 1 5 . PRO . 4829 1 6 . TYR . 4829 1 7 . SER . 4829 1 8 . TYR . 4829 1 9 . ALA . 4829 1 10 . GLN . 4829 1 11 . LEU . 4829 1 12 . ILE . 4829 1 13 . VAL . 4829 1 14 . GLN . 4829 1 15 . ALA . 4829 1 16 . ILE . 4829 1 17 . THR . 4829 1 18 . MET . 4829 1 19 . ALA . 4829 1 20 . PRO . 4829 1 21 . ASP . 4829 1 22 . LYS . 4829 1 23 . GLN . 4829 1 24 . LEU . 4829 1 25 . THR . 4829 1 26 . LEU . 4829 1 27 . ASN . 4829 1 28 . GLY . 4829 1 29 . ILE . 4829 1 30 . TYR . 4829 1 31 . THR . 4829 1 32 . HIS . 4829 1 33 . ILE . 4829 1 34 . THR . 4829 1 35 . LYS . 4829 1 36 . ASN . 4829 1 37 . TYR . 4829 1 38 . PRO . 4829 1 39 . TYR . 4829 1 40 . TYR . 4829 1 41 . ARG . 4829 1 42 . THR . 4829 1 43 . ALA . 4829 1 44 . ASP . 4829 1 45 . LYS . 4829 1 46 . GLY . 4829 1 47 . TRP . 4829 1 48 . GLN . 4829 1 49 . ASN . 4829 1 50 . SER . 4829 1 51 . ILE . 4829 1 52 . ARG . 4829 1 53 . HIS . 4829 1 54 . ASN . 4829 1 55 . LEU . 4829 1 56 . SER . 4829 1 57 . LEU . 4829 1 58 . ASN . 4829 1 59 . ARG . 4829 1 60 . TYR . 4829 1 61 . PHE . 4829 1 62 . ILE . 4829 1 63 . LYS . 4829 1 64 . VAL . 4829 1 65 . PRO . 4829 1 66 . ARG . 4829 1 67 . SER . 4829 1 68 . GLN . 4829 1 69 . GLU . 4829 1 70 . GLU . 4829 1 71 . PRO . 4829 1 72 . GLY . 4829 1 73 . LYS . 4829 1 74 . GLY . 4829 1 75 . SER . 4829 1 76 . PHE . 4829 1 77 . TRP . 4829 1 78 . ARG . 4829 1 79 . ILE . 4829 1 80 . ASP . 4829 1 81 . PRO . 4829 1 82 . ALA . 4829 1 83 . SER . 4829 1 84 . GLU . 4829 1 85 . SER . 4829 1 86 . LYS . 4829 1 87 . LEU . 4829 1 88 . ILE . 4829 1 89 . GLU . 4829 1 90 . GLN . 4829 1 91 . ALA . 4829 1 92 . PHE . 4829 1 93 . ARG . 4829 1 94 . LYS . 4829 1 95 . ARG . 4829 1 96 . ARG . 4829 1 97 . PRO . 4829 1 98 . ARG . 4829 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 . ASP 1 1 4829 1 . SER 2 2 4829 1 . LYS 3 3 4829 1 . PRO 4 4 4829 1 . PRO 5 5 4829 1 . TYR 6 6 4829 1 . SER 7 7 4829 1 . TYR 8 8 4829 1 . ALA 9 9 4829 1 . GLN 10 10 4829 1 . LEU 11 11 4829 1 . ILE 12 12 4829 1 . VAL 13 13 4829 1 . GLN 14 14 4829 1 . ALA 15 15 4829 1 . ILE 16 16 4829 1 . THR 17 17 4829 1 . MET 18 18 4829 1 . ALA 19 19 4829 1 . PRO 20 20 4829 1 . ASP 21 21 4829 1 . LYS 22 22 4829 1 . GLN 23 23 4829 1 . LEU 24 24 4829 1 . THR 25 25 4829 1 . LEU 26 26 4829 1 . ASN 27 27 4829 1 . GLY 28 28 4829 1 . ILE 29 29 4829 1 . TYR 30 30 4829 1 . THR 31 31 4829 1 . HIS 32 32 4829 1 . ILE 33 33 4829 1 . THR 34 34 4829 1 . LYS 35 35 4829 1 . ASN 36 36 4829 1 . TYR 37 37 4829 1 . PRO 38 38 4829 1 . TYR 39 39 4829 1 . TYR 40 40 4829 1 . ARG 41 41 4829 1 . THR 42 42 4829 1 . ALA 43 43 4829 1 . ASP 44 44 4829 1 . LYS 45 45 4829 1 . GLY 46 46 4829 1 . TRP 47 47 4829 1 . GLN 48 48 4829 1 . ASN 49 49 4829 1 . SER 50 50 4829 1 . ILE 51 51 4829 1 . ARG 52 52 4829 1 . HIS 53 53 4829 1 . ASN 54 54 4829 1 . LEU 55 55 4829 1 . SER 56 56 4829 1 . LEU 57 57 4829 1 . ASN 58 58 4829 1 . ARG 59 59 4829 1 . TYR 60 60 4829 1 . PHE 61 61 4829 1 . ILE 62 62 4829 1 . LYS 63 63 4829 1 . VAL 64 64 4829 1 . PRO 65 65 4829 1 . ARG 66 66 4829 1 . SER 67 67 4829 1 . GLN 68 68 4829 1 . GLU 69 69 4829 1 . GLU 70 70 4829 1 . PRO 71 71 4829 1 . GLY 72 72 4829 1 . LYS 73 73 4829 1 . GLY 74 74 4829 1 . SER 75 75 4829 1 . PHE 76 76 4829 1 . TRP 77 77 4829 1 . ARG 78 78 4829 1 . ILE 79 79 4829 1 . ASP 80 80 4829 1 . PRO 81 81 4829 1 . ALA 82 82 4829 1 . SER 83 83 4829 1 . GLU 84 84 4829 1 . SER 85 85 4829 1 . LYS 86 86 4829 1 . LEU 87 87 4829 1 . ILE 88 88 4829 1 . GLU 89 89 4829 1 . GLN 90 90 4829 1 . ALA 91 91 4829 1 . PHE 92 92 4829 1 . ARG 93 93 4829 1 . LYS 94 94 4829 1 . ARG 95 95 4829 1 . ARG 96 96 4829 1 . PRO 97 97 4829 1 . ARG 98 98 4829 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 4829 _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 $ILF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4829 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 4829 _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 $ILF . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . DE3 . . . 'Plasmid pPET-21a' . . 4829 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4829 _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 'Interleukin enhancer binding factor' '[U-13C; U-15N]' . . 1 $ILF . . 2.5 . . mM . . . . 4829 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4829 _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 'Interleukin enhancer binding factor' [U-15N] . . 1 $ILF . . 2.5 . . mM . . . . 4829 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4829 _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 'Interleukin enhancer binding factor' . . . 1 $ILF . . 2.5 . . mM . . . . 4829 3 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_set_1 _Sample_condition_list.Entry_ID 4829 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 n/a 4829 1 temperature 300 0.1 K 4829 1 'ionic strength' 0.25 0.02 M 4829 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4829 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4829 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 600 . . . 4829 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 4829 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 5 HBHANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 6 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 8 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 9 1H-15N-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 10 1H-15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 11 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 12 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 1 13 '2D COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4829 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 4829 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _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 4829 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _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 4829 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHANH _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 4829 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(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 4829 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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 4829 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _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 4829 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 1H-15N-TOCSY-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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 1H-15N-NOESY-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '2D 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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D TOCSY' _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4829 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D COSY' _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 4829 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4829 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4829 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4829 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_set_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 . 4829 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 ASP H H 1 8.436 0.01 . 1 . . . . . . . . 4829 1 2 . 1 1 1 1 ASP HA H 1 4.492 0.02 . 1 . . . . . . . . 4829 1 3 . 1 1 1 1 ASP HB2 H 1 2.736 0.01 . 2 . . . . . . . . 4829 1 4 . 1 1 1 1 ASP CA C 13 51.965 0.1 . 1 . . . . . . . . 4829 1 5 . 1 1 1 1 ASP CB C 13 38.559 0.1 . 1 . . . . . . . . 4829 1 6 . 1 1 1 1 ASP N N 15 121.101 0.1 . 1 . . . . . . . . 4829 1 7 . 1 1 2 2 SER H H 1 8.07 0.01 . 1 . . . . . . . . 4829 1 8 . 1 1 2 2 SER HA H 1 4.443 0.02 . 1 . . . . . . . . 4829 1 9 . 1 1 2 2 SER HB2 H 1 3.824 0.01 . 1 . . . . . . . . 4829 1 10 . 1 1 2 2 SER HB3 H 1 3.824 0.01 . 1 . . . . . . . . 4829 1 11 . 1 1 2 2 SER CA C 13 55.256 0.1 . 1 . . . . . . . . 4829 1 12 . 1 1 2 2 SER CB C 13 61.801 0.1 . 1 . . . . . . . . 4829 1 13 . 1 1 2 2 SER N N 15 114.742 0.1 . 1 . . . . . . . . 4829 1 14 . 1 1 3 3 LYS H H 1 8.086 0.01 . 1 . . . . . . . . 4829 1 15 . 1 1 3 3 LYS HA H 1 2.822 0.01 . 1 . . . . . . . . 4829 1 16 . 1 1 3 3 LYS HB2 H 1 0.892 0.01 . 2 . . . . . . . . 4829 1 17 . 1 1 3 3 LYS HB3 H 1 1.286 0.01 . 2 . . . . . . . . 4829 1 18 . 1 1 3 3 LYS HG2 H 1 0.708 0.01 . 1 . . . . . . . . 4829 1 19 . 1 1 3 3 LYS HG3 H 1 0.708 0.01 . 1 . . . . . . . . 4829 1 20 . 1 1 3 3 LYS HD2 H 1 1.497 0.01 . 1 . . . . . . . . 4829 1 21 . 1 1 3 3 LYS HD3 H 1 1.497 0.01 . 1 . . . . . . . . 4829 1 22 . 1 1 3 3 LYS HE2 H 1 2.926 0.01 . 1 . . . . . . . . 4829 1 23 . 1 1 3 3 LYS HE3 H 1 2.926 0.01 . 1 . . . . . . . . 4829 1 24 . 1 1 3 3 LYS CA C 13 52.055 0.1 . 1 . . . . . . . . 4829 1 25 . 1 1 3 3 LYS CB C 13 30.249 0.1 . 1 . . . . . . . . 4829 1 26 . 1 1 3 3 LYS CG C 13 21.535 0.1 . 1 . . . . . . . . 4829 1 27 . 1 1 3 3 LYS CD C 13 27.102 0.1 . 1 . . . . . . . . 4829 1 28 . 1 1 3 3 LYS CE C 13 39.689 0.1 . 1 . . . . . . . . 4829 1 29 . 1 1 3 3 LYS N N 15 125.607 0.1 . 1 . . . . . . . . 4829 1 30 . 1 1 5 5 PRO HA H 1 4.467 0.01 . 1 . . . . . . . . 4829 1 31 . 1 1 5 5 PRO HB2 H 1 2.493 0.02 . 2 . . . . . . . . 4829 1 32 . 1 1 5 5 PRO HB3 H 1 1.693 0.02 . 2 . . . . . . . . 4829 1 33 . 1 1 5 5 PRO HG2 H 1 1.801 0.02 . 1 . . . . . . . . 4829 1 34 . 1 1 5 5 PRO HG3 H 1 1.801 0.02 . 1 . . . . . . . . 4829 1 35 . 1 1 5 5 PRO HD2 H 1 3.604 0.01 . 2 . . . . . . . . 4829 1 36 . 1 1 5 5 PRO CA C 13 60.559 0.1 . 1 . . . . . . . . 4829 1 37 . 1 1 5 5 PRO CB C 13 26.167 0.1 . 1 . . . . . . . . 4829 1 38 . 1 1 6 6 TYR H H 1 7.084 0.01 . 1 . . . . . . . . 4829 1 39 . 1 1 6 6 TYR HA H 1 5.043 0.01 . 1 . . . . . . . . 4829 1 40 . 1 1 6 6 TYR HB2 H 1 3.041 0.01 . 2 . . . . . . . . 4829 1 41 . 1 1 6 6 TYR HB3 H 1 2.022 0.01 . 2 . . . . . . . . 4829 1 42 . 1 1 6 6 TYR HD1 H 1 6.798 0.01 . 1 . . . . . . . . 4829 1 43 . 1 1 6 6 TYR HD2 H 1 6.798 0.01 . 1 . . . . . . . . 4829 1 44 . 1 1 6 6 TYR CA C 13 53.31 0.1 . 1 . . . . . . . . 4829 1 45 . 1 1 6 6 TYR CB C 13 39.844 0.1 . 1 . . . . . . . . 4829 1 46 . 1 1 6 6 TYR CD1 C 13 130.967 0.1 . 1 . . . . . . . . 4829 1 47 . 1 1 6 6 TYR CD2 C 13 130.967 0.1 . 1 . . . . . . . . 4829 1 48 . 1 1 6 6 TYR N N 15 116.121 0.1 . 1 . . . . . . . . 4829 1 49 . 1 1 7 7 SER H H 1 9.691 0.01 . 1 . . . . . . . . 4829 1 50 . 1 1 7 7 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 4829 1 51 . 1 1 7 7 SER HB2 H 1 4.038 0.01 . 2 . . . . . . . . 4829 1 52 . 1 1 7 7 SER HB3 H 1 3.879 0.02 . 2 . . . . . . . . 4829 1 53 . 1 1 7 7 SER CA C 13 54.149 0.1 . 1 . . . . . . . . 4829 1 54 . 1 1 7 7 SER CB C 13 63.054 0.1 . 1 . . . . . . . . 4829 1 55 . 1 1 7 7 SER N N 15 119.742 0.1 . 1 . . . . . . . . 4829 1 56 . 1 1 8 8 TYR H H 1 8.302 0.01 . 1 . . . . . . . . 4829 1 57 . 1 1 8 8 TYR HA H 1 4.313 0.02 . 1 . . . . . . . . 4829 1 58 . 1 1 8 8 TYR HB2 H 1 2.894 0.02 . 1 . . . . . . . . 4829 1 59 . 1 1 8 8 TYR HD1 H 1 7.211 0.01 . 1 . . . . . . . . 4829 1 60 . 1 1 8 8 TYR HD2 H 1 7.211 0.01 . 1 . . . . . . . . 4829 1 61 . 1 1 8 8 TYR CA C 13 59.969 0.1 . 1 . . . . . . . . 4829 1 62 . 1 1 8 8 TYR CB C 13 34.657 0.1 . 1 . . . . . . . . 4829 1 63 . 1 1 8 8 TYR CD1 C 13 129.833 0.1 . 1 . . . . . . . . 4829 1 64 . 1 1 8 8 TYR CD2 C 13 129.833 0.1 . 1 . . . . . . . . 4829 1 65 . 1 1 8 8 TYR N N 15 117.512 0.1 . 1 . . . . . . . . 4829 1 66 . 1 1 9 9 ALA H H 1 8.559 0.01 . 1 . . . . . . . . 4829 1 67 . 1 1 9 9 ALA HA H 1 4.199 0.01 . 1 . . . . . . . . 4829 1 68 . 1 1 9 9 ALA HB1 H 1 1.648 0.01 . 1 . . . . . . . . 4829 1 69 . 1 1 9 9 ALA HB2 H 1 1.648 0.01 . 1 . . . . . . . . 4829 1 70 . 1 1 9 9 ALA HB3 H 1 1.648 0.01 . 1 . . . . . . . . 4829 1 71 . 1 1 9 9 ALA CA C 13 53.892 0.1 . 1 . . . . . . . . 4829 1 72 . 1 1 9 9 ALA CB C 13 14.869 0.1 . 1 . . . . . . . . 4829 1 73 . 1 1 9 9 ALA N N 15 118.393 0.1 . 1 . . . . . . . . 4829 1 74 . 1 1 10 10 GLN H H 1 7.747 0.01 . 1 . . . . . . . . 4829 1 75 . 1 1 10 10 GLN HA H 1 3.876 0.01 . 1 . . . . . . . . 4829 1 76 . 1 1 10 10 GLN HB2 H 1 2.567 0.01 . 2 . . . . . . . . 4829 1 77 . 1 1 10 10 GLN HB3 H 1 2.057 0.02 . 2 . . . . . . . . 4829 1 78 . 1 1 10 10 GLN HG2 H 1 2.509 0.01 . 2 . . . . . . . . 4829 1 79 . 1 1 10 10 GLN HG3 H 1 2.248 0.01 . 2 . . . . . . . . 4829 1 80 . 1 1 10 10 GLN HE21 H 1 6.834 0.01 . 2 . . . . . . . . 4829 1 81 . 1 1 10 10 GLN HE22 H 1 7.537 0.01 . 2 . . . . . . . . 4829 1 82 . 1 1 10 10 GLN CA C 13 57.455 0.1 . 1 . . . . . . . . 4829 1 83 . 1 1 10 10 GLN CB C 13 27.086 0.1 . 1 . . . . . . . . 4829 1 84 . 1 1 10 10 GLN N N 15 115.278 0.1 . 1 . . . . . . . . 4829 1 85 . 1 1 10 10 GLN NE2 N 15 110.595 0.1 . 1 . . . . . . . . 4829 1 86 . 1 1 11 11 LEU H H 1 8.134 0.01 . 1 . . . . . . . . 4829 1 87 . 1 1 11 11 LEU HA H 1 3.595 0.01 . 1 . . . . . . . . 4829 1 88 . 1 1 11 11 LEU HB2 H 1 2.177 0.01 . 2 . . . . . . . . 4829 1 89 . 1 1 11 11 LEU HB3 H 1 1.228 0.02 . 2 . . . . . . . . 4829 1 90 . 1 1 11 11 LEU HG H 1 1.682 0.02 . 1 . . . . . . . . 4829 1 91 . 1 1 11 11 LEU HD11 H 1 0.639 0.01 . 1 . . . . . . . . 4829 1 92 . 1 1 11 11 LEU HD12 H 1 0.639 0.01 . 1 . . . . . . . . 4829 1 93 . 1 1 11 11 LEU HD13 H 1 0.639 0.01 . 1 . . . . . . . . 4829 1 94 . 1 1 11 11 LEU HD21 H 1 0.442 0.01 . 1 . . . . . . . . 4829 1 95 . 1 1 11 11 LEU HD22 H 1 0.442 0.01 . 1 . . . . . . . . 4829 1 96 . 1 1 11 11 LEU HD23 H 1 0.442 0.01 . 1 . . . . . . . . 4829 1 97 . 1 1 11 11 LEU CA C 13 55.693 0.1 . 1 . . . . . . . . 4829 1 98 . 1 1 11 11 LEU CB C 13 39.114 0.1 . 1 . . . . . . . . 4829 1 99 . 1 1 11 11 LEU CD1 C 13 23.351 0.1 . 1 . . . . . . . . 4829 1 100 . 1 1 11 11 LEU CD2 C 13 21.233 0.1 . 1 . . . . . . . . 4829 1 101 . 1 1 11 11 LEU N N 15 117.335 0.1 . 1 . . . . . . . . 4829 1 102 . 1 1 12 12 ILE H H 1 7.972 0.01 . 1 . . . . . . . . 4829 1 103 . 1 1 12 12 ILE HA H 1 3.344 0.01 . 1 . . . . . . . . 4829 1 104 . 1 1 12 12 ILE HB H 1 1.835 0.01 . 1 . . . . . . . . 4829 1 105 . 1 1 12 12 ILE HG12 H 1 1.27 0.01 . 2 . . . . . . . . 4829 1 106 . 1 1 12 12 ILE HG13 H 1 0.558 0.01 . 2 . . . . . . . . 4829 1 107 . 1 1 12 12 ILE HG21 H 1 0.147 0.01 . 1 . . . . . . . . 4829 1 108 . 1 1 12 12 ILE HG22 H 1 0.147 0.01 . 1 . . . . . . . . 4829 1 109 . 1 1 12 12 ILE HG23 H 1 0.147 0.01 . 1 . . . . . . . . 4829 1 110 . 1 1 12 12 ILE HD11 H 1 -0.535 0.01 . 1 . . . . . . . . 4829 1 111 . 1 1 12 12 ILE HD12 H 1 -0.535 0.01 . 1 . . . . . . . . 4829 1 112 . 1 1 12 12 ILE HD13 H 1 -0.535 0.01 . 1 . . . . . . . . 4829 1 113 . 1 1 12 12 ILE CA C 13 63.775 0.1 . 1 . . . . . . . . 4829 1 114 . 1 1 12 12 ILE CB C 13 34.446 0.1 . 1 . . . . . . . . 4829 1 115 . 1 1 12 12 ILE CG1 C 13 27.334 0.1 . 1 . . . . . . . . 4829 1 116 . 1 1 12 12 ILE CG2 C 13 17.338 0.1 . 1 . . . . . . . . 4829 1 117 . 1 1 12 12 ILE CD1 C 13 19.68 0.1 . 1 . . . . . . . . 4829 1 118 . 1 1 12 12 ILE N N 15 117.975 0.1 . 1 . . . . . . . . 4829 1 119 . 1 1 13 13 VAL H H 1 8.171 0.01 . 1 . . . . . . . . 4829 1 120 . 1 1 13 13 VAL HA H 1 3.52 0.01 . 1 . . . . . . . . 4829 1 121 . 1 1 13 13 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 4829 1 122 . 1 1 13 13 VAL HG11 H 1 0.79 0.01 . 2 . . . . . . . . 4829 1 123 . 1 1 13 13 VAL HG12 H 1 0.79 0.01 . 2 . . . . . . . . 4829 1 124 . 1 1 13 13 VAL HG13 H 1 0.79 0.01 . 2 . . . . . . . . 4829 1 125 . 1 1 13 13 VAL HG21 H 1 1.333 0.01 . 2 . . . . . . . . 4829 1 126 . 1 1 13 13 VAL HG22 H 1 1.333 0.01 . 2 . . . . . . . . 4829 1 127 . 1 1 13 13 VAL HG23 H 1 1.333 0.01 . 2 . . . . . . . . 4829 1 128 . 1 1 13 13 VAL CA C 13 65.101 0.1 . 1 . . . . . . . . 4829 1 129 . 1 1 13 13 VAL CB C 13 29.704 0.1 . 1 . . . . . . . . 4829 1 130 . 1 1 13 13 VAL CG1 C 13 20.083 0.1 . 1 . . . . . . . . 4829 1 131 . 1 1 13 13 VAL CG2 C 13 21.437 0.1 . 1 . . . . . . . . 4829 1 132 . 1 1 13 13 VAL N N 15 118.185 0.1 . 1 . . . . . . . . 4829 1 133 . 1 1 14 14 GLN H H 1 8.457 0.01 . 1 . . . . . . . . 4829 1 134 . 1 1 14 14 GLN HA H 1 3.467 0.01 . 1 . . . . . . . . 4829 1 135 . 1 1 14 14 GLN HB2 H 1 1.988 0.01 . 2 . . . . . . . . 4829 1 136 . 1 1 14 14 GLN HB3 H 1 2.239 0.02 . 2 . . . . . . . . 4829 1 137 . 1 1 14 14 GLN HE21 H 1 3.727 0.01 . 2 . . . . . . . . 4829 1 138 . 1 1 14 14 GLN HE22 H 1 6.928 0.01 . 2 . . . . . . . . 4829 1 139 . 1 1 14 14 GLN CA C 13 56.819 0.1 . 1 . . . . . . . . 4829 1 140 . 1 1 14 14 GLN CB C 13 24.812 0.1 . 1 . . . . . . . . 4829 1 141 . 1 1 14 14 GLN N N 15 118.326 0.1 . 1 . . . . . . . . 4829 1 142 . 1 1 14 14 GLN NE2 N 15 105.311 0.1 . 1 . . . . . . . . 4829 1 143 . 1 1 15 15 ALA H H 1 7.369 0.01 . 1 . . . . . . . . 4829 1 144 . 1 1 15 15 ALA HA H 1 2.244 0.01 . 1 . . . . . . . . 4829 1 145 . 1 1 15 15 ALA HB1 H 1 1.261 0.01 . 1 . . . . . . . . 4829 1 146 . 1 1 15 15 ALA HB2 H 1 1.261 0.01 . 1 . . . . . . . . 4829 1 147 . 1 1 15 15 ALA HB3 H 1 1.261 0.01 . 1 . . . . . . . . 4829 1 148 . 1 1 15 15 ALA CA C 13 52.217 0.1 . 1 . . . . . . . . 4829 1 149 . 1 1 15 15 ALA CB C 13 16.82 0.1 . 1 . . . . . . . . 4829 1 150 . 1 1 15 15 ALA N N 15 116.568 0.1 . 1 . . . . . . . . 4829 1 151 . 1 1 16 16 ILE H H 1 8.363 0.01 . 1 . . . . . . . . 4829 1 152 . 1 1 16 16 ILE HA H 1 3.3 0.01 . 1 . . . . . . . . 4829 1 153 . 1 1 16 16 ILE HB H 1 1.545 0.01 . 1 . . . . . . . . 4829 1 154 . 1 1 16 16 ILE HG12 H 1 0.724 0.01 . 1 . . . . . . . . 4829 1 155 . 1 1 16 16 ILE HG21 H 1 0.896 0.01 . 1 . . . . . . . . 4829 1 156 . 1 1 16 16 ILE HG22 H 1 0.896 0.01 . 1 . . . . . . . . 4829 1 157 . 1 1 16 16 ILE HG23 H 1 0.896 0.01 . 1 . . . . . . . . 4829 1 158 . 1 1 16 16 ILE CA C 13 64.107 0.1 . 1 . . . . . . . . 4829 1 159 . 1 1 16 16 ILE CG1 C 13 24.379 0.1 . 1 . . . . . . . . 4829 1 160 . 1 1 16 16 ILE CG2 C 13 16.271 0.1 . 1 . . . . . . . . 4829 1 161 . 1 1 16 16 ILE N N 15 115.643 0.1 . 1 . . . . . . . . 4829 1 162 . 1 1 17 17 THR H H 1 8.203 0.01 . 1 . . . . . . . . 4829 1 163 . 1 1 17 17 THR HA H 1 4.029 0.01 . 1 . . . . . . . . 4829 1 164 . 1 1 17 17 THR HB H 1 4.254 0.01 . 1 . . . . . . . . 4829 1 165 . 1 1 17 17 THR HG21 H 1 1.344 0.01 . 1 . . . . . . . . 4829 1 166 . 1 1 17 17 THR HG22 H 1 1.344 0.01 . 1 . . . . . . . . 4829 1 167 . 1 1 17 17 THR HG23 H 1 1.344 0.01 . 1 . . . . . . . . 4829 1 168 . 1 1 17 17 THR CA C 13 63.344 0.1 . 1 . . . . . . . . 4829 1 169 . 1 1 17 17 THR CB C 13 66.799 0.1 . 1 . . . . . . . . 4829 1 170 . 1 1 17 17 THR CG2 C 13 19.175 0.1 . 1 . . . . . . . . 4829 1 171 . 1 1 17 17 THR N N 15 108.084 0.1 . 1 . . . . . . . . 4829 1 172 . 1 1 18 18 MET H H 1 7.294 0.01 . 1 . . . . . . . . 4829 1 173 . 1 1 18 18 MET HA H 1 4.551 0.01 . 1 . . . . . . . . 4829 1 174 . 1 1 18 18 MET HB2 H 1 2.793 0.01 . 2 . . . . . . . . 4829 1 175 . 1 1 18 18 MET HB3 H 1 3.048 0.01 . 2 . . . . . . . . 4829 1 176 . 1 1 18 18 MET HG2 H 1 2.042 0.01 . 2 . . . . . . . . 4829 1 177 . 1 1 18 18 MET HG3 H 1 2.397 0.01 . 2 . . . . . . . . 4829 1 178 . 1 1 18 18 MET HE1 H 1 1.84 0.01 . 1 . . . . . . . . 4829 1 179 . 1 1 18 18 MET HE2 H 1 1.84 0.01 . 1 . . . . . . . . 4829 1 180 . 1 1 18 18 MET HE3 H 1 1.84 0.01 . 1 . . . . . . . . 4829 1 181 . 1 1 18 18 MET CA C 13 53.147 0.1 . 1 . . . . . . . . 4829 1 182 . 1 1 18 18 MET CB C 13 29.97 0.1 . 1 . . . . . . . . 4829 1 183 . 1 1 18 18 MET CG C 13 30.806 0.1 . 1 . . . . . . . . 4829 1 184 . 1 1 18 18 MET N N 15 116.762 0.1 . 1 . . . . . . . . 4829 1 185 . 1 1 19 19 ALA H H 1 7.494 0.01 . 1 . . . . . . . . 4829 1 186 . 1 1 19 19 ALA HA H 1 4.733 0.01 . 1 . . . . . . . . 4829 1 187 . 1 1 19 19 ALA HB1 H 1 1.616 0.01 . 1 . . . . . . . . 4829 1 188 . 1 1 19 19 ALA HB2 H 1 1.616 0.01 . 1 . . . . . . . . 4829 1 189 . 1 1 19 19 ALA HB3 H 1 1.616 0.01 . 1 . . . . . . . . 4829 1 190 . 1 1 19 19 ALA CA C 13 48.158 0.1 . 1 . . . . . . . . 4829 1 191 . 1 1 19 19 ALA CB C 13 16.029 0.1 . 1 . . . . . . . . 4829 1 192 . 1 1 19 19 ALA N N 15 125.679 0.1 . 1 . . . . . . . . 4829 1 193 . 1 1 20 20 PRO HA H 1 4.365 0.01 . 1 . . . . . . . . 4829 1 194 . 1 1 20 20 PRO HB2 H 1 2.452 0.01 . 2 . . . . . . . . 4829 1 195 . 1 1 20 20 PRO HB3 H 1 2.008 0.01 . 2 . . . . . . . . 4829 1 196 . 1 1 20 20 PRO HG2 H 1 2.221 0.01 . 1 . . . . . . . . 4829 1 197 . 1 1 20 20 PRO HG3 H 1 2.221 0.01 . 1 . . . . . . . . 4829 1 198 . 1 1 21 21 ASP H H 1 8.604 0.01 . 1 . . . . . . . . 4829 1 199 . 1 1 21 21 ASP HA H 1 4.663 0.01 . 1 . . . . . . . . 4829 1 200 . 1 1 21 21 ASP HB2 H 1 2.762 0.01 . 1 . . . . . . . . 4829 1 201 . 1 1 21 21 ASP CA C 13 51.656 0.1 . 1 . . . . . . . . 4829 1 202 . 1 1 21 21 ASP CB C 13 37.813 0.1 . 1 . . . . . . . . 4829 1 203 . 1 1 21 21 ASP N N 15 113.902 0.1 . 1 . . . . . . . . 4829 1 204 . 1 1 22 22 LYS H H 1 8.286 0.01 . 1 . . . . . . . . 4829 1 205 . 1 1 22 22 LYS HA H 1 4.364 0.01 . 1 . . . . . . . . 4829 1 206 . 1 1 22 22 LYS HB2 H 1 2.061 0.01 . 2 . . . . . . . . 4829 1 207 . 1 1 22 22 LYS HB3 H 1 1.887 0.01 . 2 . . . . . . . . 4829 1 208 . 1 1 22 22 LYS HG2 H 1 1.504 0.01 . 1 . . . . . . . . 4829 1 209 . 1 1 22 22 LYS HG3 H 1 1.504 0.01 . 1 . . . . . . . . 4829 1 210 . 1 1 22 22 LYS HD2 H 1 1.462 0.01 . 1 . . . . . . . . 4829 1 211 . 1 1 22 22 LYS HD3 H 1 1.462 0.01 . 1 . . . . . . . . 4829 1 212 . 1 1 22 22 LYS HE2 H 1 3.069 0.01 . 1 . . . . . . . . 4829 1 213 . 1 1 22 22 LYS HE3 H 1 3.069 0.01 . 1 . . . . . . . . 4829 1 214 . 1 1 22 22 LYS CA C 13 54.292 0.1 . 1 . . . . . . . . 4829 1 215 . 1 1 22 22 LYS CB C 13 26.583 0.1 . 1 . . . . . . . . 4829 1 216 . 1 1 22 22 LYS CG C 13 22.685 0.1 . 1 . . . . . . . . 4829 1 217 . 1 1 22 22 LYS CD C 13 24.984 0.1 . 1 . . . . . . . . 4829 1 218 . 1 1 22 22 LYS N N 15 113.03 0.1 . 1 . . . . . . . . 4829 1 219 . 1 1 23 23 GLN H H 1 6.961 0.01 . 1 . . . . . . . . 4829 1 220 . 1 1 23 23 GLN HA H 1 5.488 0.01 . 1 . . . . . . . . 4829 1 221 . 1 1 23 23 GLN HB2 H 1 2.229 0.02 . 2 . . . . . . . . 4829 1 222 . 1 1 23 23 GLN HB3 H 1 1.593 0.01 . 2 . . . . . . . . 4829 1 223 . 1 1 23 23 GLN HG2 H 1 1.577 0.01 . 2 . . . . . . . . 4829 1 224 . 1 1 23 23 GLN HG3 H 1 1.615 0.01 . 2 . . . . . . . . 4829 1 225 . 1 1 23 23 GLN HE21 H 1 6.137 0.01 . 2 . . . . . . . . 4829 1 226 . 1 1 23 23 GLN HE22 H 1 6.55 0.01 . 2 . . . . . . . . 4829 1 227 . 1 1 23 23 GLN CA C 13 51.338 0.1 . 1 . . . . . . . . 4829 1 228 . 1 1 23 23 GLN CB C 13 28.918 0.1 . 1 . . . . . . . . 4829 1 229 . 1 1 23 23 GLN CG C 13 28.494 0.1 . 1 . . . . . . . . 4829 1 230 . 1 1 23 23 GLN N N 15 107.82 0.1 . 1 . . . . . . . . 4829 1 231 . 1 1 23 23 GLN NE2 N 15 108.775 0.1 . 1 . . . . . . . . 4829 1 232 . 1 1 24 24 LEU H H 1 8.744 0.01 . 1 . . . . . . . . 4829 1 233 . 1 1 24 24 LEU HA H 1 5.142 0.01 . 1 . . . . . . . . 4829 1 234 . 1 1 24 24 LEU HB2 H 1 1.955 0.01 . 2 . . . . . . . . 4829 1 235 . 1 1 24 24 LEU HB3 H 1 1.508 0.01 . 2 . . . . . . . . 4829 1 236 . 1 1 24 24 LEU HG H 1 1.13 0.01 . 1 . . . . . . . . 4829 1 237 . 1 1 24 24 LEU HD11 H 1 0.738 0.01 . 1 . . . . . . . . 4829 1 238 . 1 1 24 24 LEU HD12 H 1 0.738 0.01 . 1 . . . . . . . . 4829 1 239 . 1 1 24 24 LEU HD13 H 1 0.738 0.01 . 1 . . . . . . . . 4829 1 240 . 1 1 24 24 LEU CA C 13 51.693 0.1 . 1 . . . . . . . . 4829 1 241 . 1 1 24 24 LEU CB C 13 48.463 0.1 . 1 . . . . . . . . 4829 1 242 . 1 1 24 24 LEU CG C 13 22.624 0.1 . 1 . . . . . . . . 4829 1 243 . 1 1 24 24 LEU CD1 C 13 24.379 0.1 . 1 . . . . . . . . 4829 1 244 . 1 1 24 24 LEU N N 15 119.516 0.1 . 1 . . . . . . . . 4829 1 245 . 1 1 25 25 THR H H 1 8.28 0.01 . 1 . . . . . . . . 4829 1 246 . 1 1 25 25 THR HA H 1 5.019 0.01 . 1 . . . . . . . . 4829 1 247 . 1 1 25 25 THR HB H 1 4.628 0.01 . 1 . . . . . . . . 4829 1 248 . 1 1 25 25 THR HG21 H 1 0.757 0.01 . 1 . . . . . . . . 4829 1 249 . 1 1 25 25 THR HG22 H 1 0.757 0.01 . 1 . . . . . . . . 4829 1 250 . 1 1 25 25 THR HG23 H 1 0.757 0.01 . 1 . . . . . . . . 4829 1 251 . 1 1 25 25 THR CA C 13 57.819 0.1 . 1 . . . . . . . . 4829 1 252 . 1 1 25 25 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 4829 1 253 . 1 1 25 25 THR CG2 C 13 19.095 0.1 . 1 . . . . . . . . 4829 1 254 . 1 1 25 25 THR N N 15 110.734 0.1 . 1 . . . . . . . . 4829 1 255 . 1 1 26 26 LEU H H 1 9.338 0.01 . 1 . . . . . . . . 4829 1 256 . 1 1 26 26 LEU HA H 1 3.674 0.01 . 1 . . . . . . . . 4829 1 257 . 1 1 26 26 LEU HB2 H 1 1.573 0.02 . 2 . . . . . . . . 4829 1 258 . 1 1 26 26 LEU HB3 H 1 1.451 0.02 . 2 . . . . . . . . 4829 1 259 . 1 1 26 26 LEU HG H 1 0.776 0.01 . 1 . . . . . . . . 4829 1 260 . 1 1 26 26 LEU HD11 H 1 0.482 0.01 . 1 . . . . . . . . 4829 1 261 . 1 1 26 26 LEU HD12 H 1 0.482 0.01 . 1 . . . . . . . . 4829 1 262 . 1 1 26 26 LEU HD13 H 1 0.482 0.01 . 1 . . . . . . . . 4829 1 263 . 1 1 26 26 LEU CA C 13 56.21 0.1 . 1 . . . . . . . . 4829 1 264 . 1 1 26 26 LEU CB C 13 38.675 0.1 . 1 . . . . . . . . 4829 1 265 . 1 1 26 26 LEU CG C 13 22.927 0.1 . 1 . . . . . . . . 4829 1 266 . 1 1 26 26 LEU CD1 C 13 21.293 0.1 . 1 . . . . . . . . 4829 1 267 . 1 1 26 26 LEU N N 15 121.136 0.1 . 1 . . . . . . . . 4829 1 268 . 1 1 27 27 ASN H H 1 8.253 0.01 . 1 . . . . . . . . 4829 1 269 . 1 1 27 27 ASN HA H 1 4.377 0.01 . 1 . . . . . . . . 4829 1 270 . 1 1 27 27 ASN HB2 H 1 2.743 0.01 . 1 . . . . . . . . 4829 1 271 . 1 1 27 27 ASN HD21 H 1 7.053 0.01 . 2 . . . . . . . . 4829 1 272 . 1 1 27 27 ASN HD22 H 1 7.709 0.01 . 2 . . . . . . . . 4829 1 273 . 1 1 27 27 ASN CA C 13 54.214 0.1 . 1 . . . . . . . . 4829 1 274 . 1 1 27 27 ASN CB C 13 35.709 0.1 . 1 . . . . . . . . 4829 1 275 . 1 1 27 27 ASN N N 15 113.012 0.1 . 1 . . . . . . . . 4829 1 276 . 1 1 27 27 ASN ND2 N 15 111.921 0.1 . 1 . . . . . . . . 4829 1 277 . 1 1 28 28 GLY H H 1 8.241 0.01 . 1 . . . . . . . . 4829 1 278 . 1 1 28 28 GLY HA2 H 1 4.003 0.02 . 1 . . . . . . . . 4829 1 279 . 1 1 28 28 GLY HA3 H 1 4.003 0.02 . 1 . . . . . . . . 4829 1 280 . 1 1 28 28 GLY CA C 13 44.942 0.1 . 1 . . . . . . . . 4829 1 281 . 1 1 28 28 GLY N N 15 109.849 0.1 . 1 . . . . . . . . 4829 1 282 . 1 1 29 29 ILE H H 1 8.332 0.01 . 1 . . . . . . . . 4829 1 283 . 1 1 29 29 ILE HA H 1 3.597 0.01 . 1 . . . . . . . . 4829 1 284 . 1 1 29 29 ILE HB H 1 1.971 0.02 . 1 . . . . . . . . 4829 1 285 . 1 1 29 29 ILE HG12 H 1 1.672 0.01 . 2 . . . . . . . . 4829 1 286 . 1 1 29 29 ILE HG13 H 1 1.472 0.01 . 2 . . . . . . . . 4829 1 287 . 1 1 29 29 ILE HG21 H 1 0.774 0.01 . 1 . . . . . . . . 4829 1 288 . 1 1 29 29 ILE HG22 H 1 0.774 0.01 . 1 . . . . . . . . 4829 1 289 . 1 1 29 29 ILE HG23 H 1 0.774 0.01 . 1 . . . . . . . . 4829 1 290 . 1 1 29 29 ILE HD11 H 1 0.496 0.01 . 1 . . . . . . . . 4829 1 291 . 1 1 29 29 ILE HD12 H 1 0.496 0.01 . 1 . . . . . . . . 4829 1 292 . 1 1 29 29 ILE HD13 H 1 0.496 0.01 . 1 . . . . . . . . 4829 1 293 . 1 1 29 29 ILE CA C 13 64.156 0.1 . 1 . . . . . . . . 4829 1 294 . 1 1 29 29 ILE CB C 13 35.756 0.1 . 1 . . . . . . . . 4829 1 295 . 1 1 29 29 ILE CG2 C 13 16.21 0.1 . 1 . . . . . . . . 4829 1 296 . 1 1 29 29 ILE CD1 C 13 11.853 0.1 . 1 . . . . . . . . 4829 1 297 . 1 1 29 29 ILE N N 15 125.814 0.1 . 1 . . . . . . . . 4829 1 298 . 1 1 30 30 TYR H H 1 8.322 0.01 . 1 . . . . . . . . 4829 1 299 . 1 1 30 30 TYR HA H 1 4.791 0.01 . 1 . . . . . . . . 4829 1 300 . 1 1 30 30 TYR HB2 H 1 3.448 0.02 . 2 . . . . . . . . 4829 1 301 . 1 1 30 30 TYR HD1 H 1 6.9 0.01 . 1 . . . . . . . . 4829 1 302 . 1 1 30 30 TYR HD2 H 1 6.9 0.01 . 1 . . . . . . . . 4829 1 303 . 1 1 30 30 TYR HE1 H 1 7.4 0.01 . 1 . . . . . . . . 4829 1 304 . 1 1 30 30 TYR HE2 H 1 7.4 0.01 . 1 . . . . . . . . 4829 1 305 . 1 1 30 30 TYR CA C 13 56.321 0.1 . 1 . . . . . . . . 4829 1 306 . 1 1 30 30 TYR CB C 13 34.057 0.1 . 1 . . . . . . . . 4829 1 307 . 1 1 30 30 TYR CD1 C 13 128.377 0.1 . 1 . . . . . . . . 4829 1 308 . 1 1 30 30 TYR CD2 C 13 128.377 0.1 . 1 . . . . . . . . 4829 1 309 . 1 1 30 30 TYR CE1 C 13 121.66 0.1 . 1 . . . . . . . . 4829 1 310 . 1 1 30 30 TYR CE2 C 13 121.66 0.1 . 1 . . . . . . . . 4829 1 311 . 1 1 30 30 TYR N N 15 117.292 0.1 . 1 . . . . . . . . 4829 1 312 . 1 1 31 31 THR H H 1 8.672 0.01 . 1 . . . . . . . . 4829 1 313 . 1 1 31 31 THR HA H 1 4.104 0.01 . 1 . . . . . . . . 4829 1 314 . 1 1 31 31 THR HB H 1 4.377 0.01 . 1 . . . . . . . . 4829 1 315 . 1 1 31 31 THR HG21 H 1 1.381 0.01 . 1 . . . . . . . . 4829 1 316 . 1 1 31 31 THR HG22 H 1 1.381 0.01 . 1 . . . . . . . . 4829 1 317 . 1 1 31 31 THR HG23 H 1 1.381 0.01 . 1 . . . . . . . . 4829 1 318 . 1 1 31 31 THR CA C 13 64.341 0.1 . 1 . . . . . . . . 4829 1 319 . 1 1 31 31 THR CB C 13 66.677 0.1 . 1 . . . . . . . . 4829 1 320 . 1 1 31 31 THR CG2 C 13 19.175 0.1 . 1 . . . . . . . . 4829 1 321 . 1 1 31 31 THR N N 15 113.713 0.1 . 1 . . . . . . . . 4829 1 322 . 1 1 32 32 HIS H H 1 8.113 0.01 . 1 . . . . . . . . 4829 1 323 . 1 1 32 32 HIS HA H 1 4.142 0.01 . 1 . . . . . . . . 4829 1 324 . 1 1 32 32 HIS HB2 H 1 3.41 0.01 . 1 . . . . . . . . 4829 1 325 . 1 1 32 32 HIS HB3 H 1 3.206 0.01 . 1 . . . . . . . . 4829 1 326 . 1 1 32 32 HIS HD1 H 1 6.946 0.01 . 1 . . . . . . . . 4829 1 327 . 1 1 32 32 HIS HE1 H 1 8.12 0.01 . 1 . . . . . . . . 4829 1 328 . 1 1 32 32 HIS CA C 13 59.068 0.1 . 1 . . . . . . . . 4829 1 329 . 1 1 32 32 HIS CB C 13 28.884 0.1 . 1 . . . . . . . . 4829 1 330 . 1 1 32 32 HIS CD2 C 13 115.851 0.1 . 1 . . . . . . . . 4829 1 331 . 1 1 32 32 HIS CE1 C 13 136.002 0.1 . 1 . . . . . . . . 4829 1 332 . 1 1 32 32 HIS N N 15 120.616 0.1 . 1 . . . . . . . . 4829 1 333 . 1 1 33 33 ILE H H 1 8.436 0.01 . 1 . . . . . . . . 4829 1 334 . 1 1 33 33 ILE HA H 1 3.866 0.01 . 1 . . . . . . . . 4829 1 335 . 1 1 33 33 ILE HB H 1 2.254 0.01 . 1 . . . . . . . . 4829 1 336 . 1 1 33 33 ILE HG12 H 1 1.195 0.01 . 1 . . . . . . . . 4829 1 337 . 1 1 33 33 ILE HG21 H 1 0.946 0.01 . 1 . . . . . . . . 4829 1 338 . 1 1 33 33 ILE HG22 H 1 0.946 0.01 . 1 . . . . . . . . 4829 1 339 . 1 1 33 33 ILE HG23 H 1 0.946 0.01 . 1 . . . . . . . . 4829 1 340 . 1 1 33 33 ILE HD11 H 1 0.484 0.01 . 1 . . . . . . . . 4829 1 341 . 1 1 33 33 ILE HD12 H 1 0.484 0.01 . 1 . . . . . . . . 4829 1 342 . 1 1 33 33 ILE HD13 H 1 0.484 0.01 . 1 . . . . . . . . 4829 1 343 . 1 1 33 33 ILE CA C 13 64.85 0.1 . 1 . . . . . . . . 4829 1 344 . 1 1 33 33 ILE CB C 13 35.635 0.1 . 1 . . . . . . . . 4829 1 345 . 1 1 33 33 ILE CG1 C 13 27.707 0.1 . 1 . . . . . . . . 4829 1 346 . 1 1 33 33 ILE CG2 C 13 14.395 0.1 . 1 . . . . . . . . 4829 1 347 . 1 1 33 33 ILE CD1 C 13 15.726 0.1 . 1 . . . . . . . . 4829 1 348 . 1 1 33 33 ILE N N 15 119.054 0.1 . 1 . . . . . . . . 4829 1 349 . 1 1 34 34 THR H H 1 8.72 0.01 . 1 . . . . . . . . 4829 1 350 . 1 1 34 34 THR HA H 1 4.077 0.01 . 1 . . . . . . . . 4829 1 351 . 1 1 34 34 THR HB H 1 4.295 0.01 . 1 . . . . . . . . 4829 1 352 . 1 1 34 34 THR HG21 H 1 1.505 0.01 . 1 . . . . . . . . 4829 1 353 . 1 1 34 34 THR HG22 H 1 1.505 0.01 . 1 . . . . . . . . 4829 1 354 . 1 1 34 34 THR HG23 H 1 1.505 0.01 . 1 . . . . . . . . 4829 1 355 . 1 1 34 34 THR CA C 13 63.488 0.1 . 1 . . . . . . . . 4829 1 356 . 1 1 34 34 THR CB C 13 66.617 0.1 . 1 . . . . . . . . 4829 1 357 . 1 1 34 34 THR CG2 C 13 20.507 0.1 . 1 . . . . . . . . 4829 1 358 . 1 1 34 34 THR N N 15 110.592 0.1 . 1 . . . . . . . . 4829 1 359 . 1 1 35 35 LYS H H 1 8.217 0.01 . 1 . . . . . . . . 4829 1 360 . 1 1 35 35 LYS HA H 1 4.044 0.01 . 1 . . . . . . . . 4829 1 361 . 1 1 35 35 LYS HB2 H 1 1.974 0.01 . 2 . . . . . . . . 4829 1 362 . 1 1 35 35 LYS HB3 H 1 1.76 0.01 . 2 . . . . . . . . 4829 1 363 . 1 1 35 35 LYS HG2 H 1 1.521 0.01 . 2 . . . . . . . . 4829 1 364 . 1 1 35 35 LYS HG3 H 1 1.455 0.01 . 2 . . . . . . . . 4829 1 365 . 1 1 35 35 LYS HD2 H 1 1.285 0.01 . 1 . . . . . . . . 4829 1 366 . 1 1 35 35 LYS HD3 H 1 1.285 0.01 . 1 . . . . . . . . 4829 1 367 . 1 1 35 35 LYS HE2 H 1 3.067 0.01 . 1 . . . . . . . . 4829 1 368 . 1 1 35 35 LYS HE3 H 1 3.067 0.01 . 1 . . . . . . . . 4829 1 369 . 1 1 35 35 LYS CA C 13 56.963 0.1 . 1 . . . . . . . . 4829 1 370 . 1 1 35 35 LYS CB C 13 30.153 0.1 . 1 . . . . . . . . 4829 1 371 . 1 1 35 35 LYS CG C 13 22.624 0.1 . 1 . . . . . . . . 4829 1 372 . 1 1 35 35 LYS CE C 13 40.294 0.1 . 1 . . . . . . . . 4829 1 373 . 1 1 35 35 LYS N N 15 120.08 0.1 . 1 . . . . . . . . 4829 1 374 . 1 1 36 36 ASN H H 1 7.46 0.01 . 1 . . . . . . . . 4829 1 375 . 1 1 36 36 ASN HA H 1 4.287 0.01 . 1 . . . . . . . . 4829 1 376 . 1 1 36 36 ASN HB2 H 1 2.178 0.01 . 2 . . . . . . . . 4829 1 377 . 1 1 36 36 ASN HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4829 1 378 . 1 1 36 36 ASN HD21 H 1 6.699 0.01 . 2 . . . . . . . . 4829 1 379 . 1 1 36 36 ASN HD22 H 1 6.793 0.01 . 2 . . . . . . . . 4829 1 380 . 1 1 36 36 ASN CA C 13 53.327 0.1 . 1 . . . . . . . . 4829 1 381 . 1 1 36 36 ASN CB C 13 38.255 0.1 . 1 . . . . . . . . 4829 1 382 . 1 1 36 36 ASN N N 15 113.224 0.1 . 1 . . . . . . . . 4829 1 383 . 1 1 36 36 ASN ND2 N 15 112.716 0.1 . 1 . . . . . . . . 4829 1 384 . 1 1 37 37 TYR H H 1 8.522 0.01 . 1 . . . . . . . . 4829 1 385 . 1 1 37 37 TYR HA H 1 5.184 0.01 . 1 . . . . . . . . 4829 1 386 . 1 1 37 37 TYR HB2 H 1 3.554 0.01 . 2 . . . . . . . . 4829 1 387 . 1 1 37 37 TYR HB3 H 1 3.052 0.01 . 2 . . . . . . . . 4829 1 388 . 1 1 37 37 TYR HD1 H 1 6.331 0.01 . 1 . . . . . . . . 4829 1 389 . 1 1 37 37 TYR HD2 H 1 6.331 0.01 . 1 . . . . . . . . 4829 1 390 . 1 1 37 37 TYR HE1 H 1 6.673 0.01 . 1 . . . . . . . . 4829 1 391 . 1 1 37 37 TYR HE2 H 1 6.673 0.01 . 1 . . . . . . . . 4829 1 392 . 1 1 37 37 TYR CA C 13 53.195 0.1 . 1 . . . . . . . . 4829 1 393 . 1 1 37 37 TYR CB C 13 36.482 0.1 . 1 . . . . . . . . 4829 1 394 . 1 1 37 37 TYR CD1 C 13 130.374 0.1 . 1 . . . . . . . . 4829 1 395 . 1 1 37 37 TYR CD2 C 13 130.374 0.1 . 1 . . . . . . . . 4829 1 396 . 1 1 37 37 TYR CE1 C 13 114.58 0.1 . 1 . . . . . . . . 4829 1 397 . 1 1 37 37 TYR CE2 C 13 114.58 0.1 . 1 . . . . . . . . 4829 1 398 . 1 1 37 37 TYR N N 15 117.11 0.1 . 1 . . . . . . . . 4829 1 399 . 1 1 39 39 TYR H H 1 8.601 0.01 . 1 . . . . . . . . 4829 1 400 . 1 1 39 39 TYR HA H 1 3.917 0.02 . 1 . . . . . . . . 4829 1 401 . 1 1 39 39 TYR HB2 H 1 3.125 0.02 . 1 . . . . . . . . 4829 1 402 . 1 1 39 39 TYR HD1 H 1 5.901 0.01 . 1 . . . . . . . . 4829 1 403 . 1 1 39 39 TYR HD2 H 1 5.901 0.01 . 1 . . . . . . . . 4829 1 404 . 1 1 39 39 TYR HE1 H 1 6.513 0.01 . 1 . . . . . . . . 4829 1 405 . 1 1 39 39 TYR HE2 H 1 6.513 0.01 . 1 . . . . . . . . 4829 1 406 . 1 1 39 39 TYR CA C 13 58.992 0.1 . 1 . . . . . . . . 4829 1 407 . 1 1 39 39 TYR CB C 13 38.176 0.1 . 1 . . . . . . . . 4829 1 408 . 1 1 39 39 TYR CD1 C 13 130.857 0.1 . 1 . . . . . . . . 4829 1 409 . 1 1 39 39 TYR CD2 C 13 130.857 0.1 . 1 . . . . . . . . 4829 1 410 . 1 1 39 39 TYR CE1 C 13 115.791 0.1 . 1 . . . . . . . . 4829 1 411 . 1 1 39 39 TYR CE2 C 13 115.791 0.1 . 1 . . . . . . . . 4829 1 412 . 1 1 39 39 TYR N N 15 118.935 0.1 . 1 . . . . . . . . 4829 1 413 . 1 1 40 40 TYR H H 1 8.092 0.1 . 1 . . . . . . . . 4829 1 414 . 1 1 40 40 TYR HA H 1 3.741 0.01 . 1 . . . . . . . . 4829 1 415 . 1 1 40 40 TYR HB2 H 1 2.199 0.01 . 1 . . . . . . . . 4829 1 416 . 1 1 40 40 TYR HD1 H 1 6.341 0.01 . 1 . . . . . . . . 4829 1 417 . 1 1 40 40 TYR HD2 H 1 6.341 0.01 . 1 . . . . . . . . 4829 1 418 . 1 1 40 40 TYR CA C 13 58.083 0.1 . 1 . . . . . . . . 4829 1 419 . 1 1 40 40 TYR CB C 13 34.485 0.1 . 1 . . . . . . . . 4829 1 420 . 1 1 40 40 TYR CD1 C 13 130.374 0.1 . 1 . . . . . . . . 4829 1 421 . 1 1 40 40 TYR CD2 C 13 130.374 0.1 . 1 . . . . . . . . 4829 1 422 . 1 1 40 40 TYR N N 15 113.821 0.1 . 1 . . . . . . . . 4829 1 423 . 1 1 41 41 ARG H H 1 8.137 0.01 . 1 . . . . . . . . 4829 1 424 . 1 1 41 41 ARG HA H 1 4.432 0.01 . 1 . . . . . . . . 4829 1 425 . 1 1 41 41 ARG HB2 H 1 2.028 0.01 . 2 . . . . . . . . 4829 1 426 . 1 1 41 41 ARG HB3 H 1 1.846 0.01 . 2 . . . . . . . . 4829 1 427 . 1 1 41 41 ARG HG2 H 1 1.481 0.01 . 1 . . . . . . . . 4829 1 428 . 1 1 41 41 ARG HG3 H 1 1.481 0.01 . 1 . . . . . . . . 4829 1 429 . 1 1 41 41 ARG HD2 H 1 3.175 0.01 . 1 . . . . . . . . 4829 1 430 . 1 1 41 41 ARG HD3 H 1 3.175 0.01 . 1 . . . . . . . . 4829 1 431 . 1 1 41 41 ARG HE H 1 7.2 0.01 . 1 . . . . . . . . 4829 1 432 . 1 1 41 41 ARG CA C 13 55.379 0.1 . 1 . . . . . . . . 4829 1 433 . 1 1 41 41 ARG N N 15 119.187 0.1 . 1 . . . . . . . . 4829 1 434 . 1 1 41 41 ARG NE N 15 119.943 0.1 . 1 . . . . . . . . 4829 1 435 . 1 1 45 45 LYS H H 1 8.531 0.01 . 1 . . . . . . . . 4829 1 436 . 1 1 45 45 LYS HA H 1 3.964 0.01 . 1 . . . . . . . . 4829 1 437 . 1 1 45 45 LYS HB2 H 1 1.735 0.01 . 2 . . . . . . . . 4829 1 438 . 1 1 45 45 LYS CA C 13 55.268 0.1 . 1 . . . . . . . . 4829 1 439 . 1 1 45 45 LYS CB C 13 29.825 0.1 . 1 . . . . . . . . 4829 1 440 . 1 1 45 45 LYS N N 15 120.776 0.1 . 1 . . . . . . . . 4829 1 441 . 1 1 46 46 GLY H H 1 8.975 0.01 . 1 . . . . . . . . 4829 1 442 . 1 1 46 46 GLY HA2 H 1 4.149 0.01 . 2 . . . . . . . . 4829 1 443 . 1 1 46 46 GLY HA3 H 1 3.868 0.01 . 2 . . . . . . . . 4829 1 444 . 1 1 46 46 GLY CA C 13 45.293 0.1 . 1 . . . . . . . . 4829 1 445 . 1 1 46 46 GLY N N 15 110.942 0.1 . 1 . . . . . . . . 4829 1 446 . 1 1 47 47 TRP H H 1 8.222 0.01 . 1 . . . . . . . . 4829 1 447 . 1 1 47 47 TRP HA H 1 4.37 0.02 . 1 . . . . . . . . 4829 1 448 . 1 1 47 47 TRP HB2 H 1 3.632 0.01 . 2 . . . . . . . . 4829 1 449 . 1 1 47 47 TRP HB3 H 1 3.732 0.01 . 2 . . . . . . . . 4829 1 450 . 1 1 47 47 TRP HD1 H 1 7.075 0.01 . 1 . . . . . . . . 4829 1 451 . 1 1 47 47 TRP HE1 H 1 10.542 0.01 . 1 . . . . . . . . 4829 1 452 . 1 1 47 47 TRP HE3 H 1 8.016 0.01 . 1 . . . . . . . . 4829 1 453 . 1 1 47 47 TRP HZ2 H 1 6.656 0.01 . 1 . . . . . . . . 4829 1 454 . 1 1 47 47 TRP HZ3 H 1 6.342 0.01 . 1 . . . . . . . . 4829 1 455 . 1 1 47 47 TRP HH2 H 1 6.669 0.01 . 1 . . . . . . . . 4829 1 456 . 1 1 47 47 TRP CA C 13 56.818 0.1 . 1 . . . . . . . . 4829 1 457 . 1 1 47 47 TRP CB C 13 25.226 0.1 . 1 . . . . . . . . 4829 1 458 . 1 1 47 47 TRP CD1 C 13 117.424 0.1 . 1 . . . . . . . . 4829 1 459 . 1 1 47 47 TRP CE3 C 13 126.804 0.1 . 1 . . . . . . . . 4829 1 460 . 1 1 47 47 TRP CZ2 C 13 114.641 0.1 . 1 . . . . . . . . 4829 1 461 . 1 1 47 47 TRP CZ3 C 13 130.374 0.1 . 1 . . . . . . . . 4829 1 462 . 1 1 47 47 TRP CH2 C 13 130.071 0.1 . 1 . . . . . . . . 4829 1 463 . 1 1 47 47 TRP N N 15 120.597 0.1 . 1 . . . . . . . . 4829 1 464 . 1 1 47 47 TRP NE1 N 15 131.082 0.1 . 1 . . . . . . . . 4829 1 465 . 1 1 48 48 GLN HE21 H 1 5.436 0.01 . 2 . . . . . . . . 4829 1 466 . 1 1 48 48 GLN HE22 H 1 6.551 0.01 . 2 . . . . . . . . 4829 1 467 . 1 1 48 48 GLN CA C 13 56.595 0.1 . 1 . . . . . . . . 4829 1 468 . 1 1 48 48 GLN NE2 N 15 108.298 0.1 . 1 . . . . . . . . 4829 1 469 . 1 1 49 49 ASN H H 1 7.676 0.01 . 1 . . . . . . . . 4829 1 470 . 1 1 49 49 ASN HA H 1 4.396 0.01 . 1 . . . . . . . . 4829 1 471 . 1 1 49 49 ASN HB2 H 1 2.977 0.01 . 2 . . . . . . . . 4829 1 472 . 1 1 49 49 ASN HB3 H 1 2.845 0.01 . 2 . . . . . . . . 4829 1 473 . 1 1 49 49 ASN HD21 H 1 7.004 0.01 . 2 . . . . . . . . 4829 1 474 . 1 1 49 49 ASN HD22 H 1 7.736 0.01 . 2 . . . . . . . . 4829 1 475 . 1 1 49 49 ASN CA C 13 53.492 0.1 . 1 . . . . . . . . 4829 1 476 . 1 1 49 49 ASN CB C 13 34.6 0.1 . 1 . . . . . . . . 4829 1 477 . 1 1 49 49 ASN N N 15 119.836 0.1 . 1 . . . . . . . . 4829 1 478 . 1 1 49 49 ASN ND2 N 15 112.769 0.1 . 1 . . . . . . . . 4829 1 479 . 1 1 50 50 SER H H 1 7.847 0.01 . 1 . . . . . . . . 4829 1 480 . 1 1 50 50 SER HA H 1 4.247 0.02 . 1 . . . . . . . . 4829 1 481 . 1 1 50 50 SER HB2 H 1 3.376 0.02 . 2 . . . . . . . . 4829 1 482 . 1 1 50 50 SER HB3 H 1 3.236 0.02 . 2 . . . . . . . . 4829 1 483 . 1 1 50 50 SER CA C 13 60.225 0.1 . 1 . . . . . . . . 4829 1 484 . 1 1 50 50 SER CB C 13 59.472 0.1 . 1 . . . . . . . . 4829 1 485 . 1 1 50 50 SER N N 15 116.784 0.1 . 1 . . . . . . . . 4829 1 486 . 1 1 51 51 ILE H H 1 7.977 0.01 . 1 . . . . . . . . 4829 1 487 . 1 1 51 51 ILE HA H 1 3.628 0.01 . 1 . . . . . . . . 4829 1 488 . 1 1 51 51 ILE HB H 1 2.476 0.01 . 1 . . . . . . . . 4829 1 489 . 1 1 51 51 ILE HG12 H 1 1.953 0.01 . 2 . . . . . . . . 4829 1 490 . 1 1 51 51 ILE HG13 H 1 1.654 0.01 . 2 . . . . . . . . 4829 1 491 . 1 1 51 51 ILE HG21 H 1 0.669 0.01 . 1 . . . . . . . . 4829 1 492 . 1 1 51 51 ILE HG22 H 1 0.669 0.01 . 1 . . . . . . . . 4829 1 493 . 1 1 51 51 ILE HG23 H 1 0.669 0.01 . 1 . . . . . . . . 4829 1 494 . 1 1 51 51 ILE HD11 H 1 0.918 0.01 . 1 . . . . . . . . 4829 1 495 . 1 1 51 51 ILE HD12 H 1 0.918 0.01 . 1 . . . . . . . . 4829 1 496 . 1 1 51 51 ILE HD13 H 1 0.918 0.01 . 1 . . . . . . . . 4829 1 497 . 1 1 51 51 ILE CA C 13 60.706 0.1 . 1 . . . . . . . . 4829 1 498 . 1 1 51 51 ILE CB C 13 32.161 0.1 . 1 . . . . . . . . 4829 1 499 . 1 1 51 51 ILE CG1 C 13 25.59 0.1 . 1 . . . . . . . . 4829 1 500 . 1 1 51 51 ILE CG2 C 13 14.334 0.1 . 1 . . . . . . . . 4829 1 501 . 1 1 51 51 ILE CD1 C 13 8.586 0.1 . 1 . . . . . . . . 4829 1 502 . 1 1 51 51 ILE N N 15 123.46 0.1 . 1 . . . . . . . . 4829 1 503 . 1 1 52 52 ARG H H 1 7.47 0.01 . 1 . . . . . . . . 4829 1 504 . 1 1 52 52 ARG HA H 1 3.676 0.02 . 1 . . . . . . . . 4829 1 505 . 1 1 52 52 ARG HB2 H 1 1.935 0.02 . 1 . . . . . . . . 4829 1 506 . 1 1 52 52 ARG HG2 H 1 1.565 0.01 . 1 . . . . . . . . 4829 1 507 . 1 1 52 52 ARG HG3 H 1 1.565 0.01 . 1 . . . . . . . . 4829 1 508 . 1 1 52 52 ARG HD2 H 1 3.254 0.01 . 1 . . . . . . . . 4829 1 509 . 1 1 52 52 ARG HD3 H 1 3.254 0.01 . 1 . . . . . . . . 4829 1 510 . 1 1 52 52 ARG HE H 1 7.309 0.01 . 1 . . . . . . . . 4829 1 511 . 1 1 52 52 ARG CA C 13 58.008 0.1 . 1 . . . . . . . . 4829 1 512 . 1 1 52 52 ARG CB C 13 27.465 0.1 . 1 . . . . . . . . 4829 1 513 . 1 1 52 52 ARG CG C 13 25.59 0.1 . 1 . . . . . . . . 4829 1 514 . 1 1 52 52 ARG CD C 13 41.081 0.1 . 1 . . . . . . . . 4829 1 515 . 1 1 52 52 ARG N N 15 117.693 0.1 . 1 . . . . . . . . 4829 1 516 . 1 1 52 52 ARG NE N 15 119.242 0.1 . 1 . . . . . . . . 4829 1 517 . 1 1 53 53 HIS H H 1 8.315 0.01 . 1 . . . . . . . . 4829 1 518 . 1 1 53 53 HIS HA H 1 4.326 0.02 . 1 . . . . . . . . 4829 1 519 . 1 1 53 53 HIS HB2 H 1 3.229 0.01 . 1 . . . . . . . . 4829 1 520 . 1 1 53 53 HIS CA C 13 56.596 0.1 . 1 . . . . . . . . 4829 1 521 . 1 1 53 53 HIS CB C 13 28.434 0.1 . 1 . . . . . . . . 4829 1 522 . 1 1 53 53 HIS N N 15 116.947 0.1 . 1 . . . . . . . . 4829 1 523 . 1 1 54 54 ASN H H 1 7.986 0.1 . 1 . . . . . . . . 4829 1 524 . 1 1 54 54 ASN HA H 1 4.251 0.01 . 1 . . . . . . . . 4829 1 525 . 1 1 54 54 ASN HB2 H 1 2.847 0.01 . 2 . . . . . . . . 4829 1 526 . 1 1 54 54 ASN HB3 H 1 2.299 0.01 . 2 . . . . . . . . 4829 1 527 . 1 1 54 54 ASN HD21 H 1 7.605 0.01 . 2 . . . . . . . . 4829 1 528 . 1 1 54 54 ASN HD22 H 1 7.707 0.01 . 2 . . . . . . . . 4829 1 529 . 1 1 54 54 ASN CA C 13 55.068 0.1 . 1 . . . . . . . . 4829 1 530 . 1 1 54 54 ASN CB C 13 38.102 0.1 . 1 . . . . . . . . 4829 1 531 . 1 1 54 54 ASN N N 15 116.131 0.1 . 1 . . . . . . . . 4829 1 532 . 1 1 54 54 ASN ND2 N 15 111.09 0.1 . 1 . . . . . . . . 4829 1 533 . 1 1 55 55 LEU H H 1 7.759 0.01 . 1 . . . . . . . . 4829 1 534 . 1 1 55 55 LEU HA H 1 3.837 0.01 . 1 . . . . . . . . 4829 1 535 . 1 1 55 55 LEU HB2 H 1 1.138 0.02 . 2 . . . . . . . . 4829 1 536 . 1 1 55 55 LEU HB3 H 1 0.109 0.01 . 2 . . . . . . . . 4829 1 537 . 1 1 55 55 LEU HG H 1 -0.423 0.01 . 1 . . . . . . . . 4829 1 538 . 1 1 55 55 LEU HD11 H 1 -0.528 0.01 . 2 . . . . . . . . 4829 1 539 . 1 1 55 55 LEU HD12 H 1 -0.528 0.01 . 2 . . . . . . . . 4829 1 540 . 1 1 55 55 LEU HD13 H 1 -0.528 0.01 . 2 . . . . . . . . 4829 1 541 . 1 1 55 55 LEU CA C 13 55.189 0.1 . 1 . . . . . . . . 4829 1 542 . 1 1 55 55 LEU CB C 13 38.479 0.1 . 1 . . . . . . . . 4829 1 543 . 1 1 55 55 LEU CG C 13 22.608 0.1 . 1 . . . . . . . . 4829 1 544 . 1 1 55 55 LEU CD1 C 13 19.478 0.1 . 1 . . . . . . . . 4829 1 545 . 1 1 55 55 LEU N N 15 119.31 0.1 . 1 . . . . . . . . 4829 1 546 . 1 1 56 56 SER H H 1 7.164 0.01 . 1 . . . . . . . . 4829 1 547 . 1 1 56 56 SER HA H 1 4.422 0.01 . 1 . . . . . . . . 4829 1 548 . 1 1 56 56 SER HB2 H 1 4.027 0.01 . 1 . . . . . . . . 4829 1 549 . 1 1 56 56 SER HB3 H 1 4.027 0.01 . 1 . . . . . . . . 4829 1 550 . 1 1 56 56 SER CA C 13 57.822 0.1 . 1 . . . . . . . . 4829 1 551 . 1 1 56 56 SER CB C 13 61.381 0.1 . 1 . . . . . . . . 4829 1 552 . 1 1 56 56 SER N N 15 108.317 0.1 . 1 . . . . . . . . 4829 1 553 . 1 1 57 57 LEU H H 1 7.548 0.01 . 1 . . . . . . . . 4829 1 554 . 1 1 57 57 LEU HA H 1 4.348 0.01 . 1 . . . . . . . . 4829 1 555 . 1 1 57 57 LEU HB2 H 1 1.611 0.01 . 2 . . . . . . . . 4829 1 556 . 1 1 57 57 LEU HB3 H 1 1.537 0.02 . 2 . . . . . . . . 4829 1 557 . 1 1 57 57 LEU HG H 1 1.622 0.01 . 1 . . . . . . . . 4829 1 558 . 1 1 57 57 LEU HD11 H 1 0.8 0.01 . 1 . . . . . . . . 4829 1 559 . 1 1 57 57 LEU HD12 H 1 0.8 0.01 . 1 . . . . . . . . 4829 1 560 . 1 1 57 57 LEU HD13 H 1 0.8 0.01 . 1 . . . . . . . . 4829 1 561 . 1 1 57 57 LEU CA C 13 53.489 0.1 . 1 . . . . . . . . 4829 1 562 . 1 1 57 57 LEU CB C 13 41.447 0.1 . 1 . . . . . . . . 4829 1 563 . 1 1 57 57 LEU CG C 13 24.379 0.1 . 1 . . . . . . . . 4829 1 564 . 1 1 57 57 LEU CD1 C 13 21.535 0.1 . 1 . . . . . . . . 4829 1 565 . 1 1 57 57 LEU N N 15 118.993 0.1 . 1 . . . . . . . . 4829 1 566 . 1 1 58 58 ASN H H 1 7.544 0.01 . 1 . . . . . . . . 4829 1 567 . 1 1 58 58 ASN HA H 1 4.667 0.01 . 1 . . . . . . . . 4829 1 568 . 1 1 58 58 ASN HB2 H 1 2.665 0.01 . 2 . . . . . . . . 4829 1 569 . 1 1 58 58 ASN HB3 H 1 2.105 0.02 . 2 . . . . . . . . 4829 1 570 . 1 1 58 58 ASN HD21 H 1 6.868 0.01 . 2 . . . . . . . . 4829 1 571 . 1 1 58 58 ASN HD22 H 1 7.807 0.01 . 2 . . . . . . . . 4829 1 572 . 1 1 58 58 ASN CA C 13 50.935 0.1 . 1 . . . . . . . . 4829 1 573 . 1 1 58 58 ASN CB C 13 37.208 0.1 . 1 . . . . . . . . 4829 1 574 . 1 1 58 58 ASN N N 15 116.112 0.1 . 1 . . . . . . . . 4829 1 575 . 1 1 58 58 ASN ND2 N 15 112.646 0.1 . 1 . . . . . . . . 4829 1 576 . 1 1 59 59 ARG H H 1 8.45 0.1 . 1 . . . . . . . . 4829 1 577 . 1 1 59 59 ARG HA H 1 4.324 0.01 . 1 . . . . . . . . 4829 1 578 . 1 1 59 59 ARG HB2 H 1 1.784 0.01 . 2 . . . . . . . . 4829 1 579 . 1 1 59 59 ARG HB3 H 1 1.787 0.01 . 2 . . . . . . . . 4829 1 580 . 1 1 59 59 ARG HG2 H 1 1.559 0.01 . 1 . . . . . . . . 4829 1 581 . 1 1 59 59 ARG HG3 H 1 1.559 0.01 . 1 . . . . . . . . 4829 1 582 . 1 1 59 59 ARG HD2 H 1 3.205 0.01 . 1 . . . . . . . . 4829 1 583 . 1 1 59 59 ARG HD3 H 1 3.205 0.01 . 1 . . . . . . . . 4829 1 584 . 1 1 59 59 ARG HE H 1 7.281 0.01 . 1 . . . . . . . . 4829 1 585 . 1 1 59 59 ARG CA C 13 54.936 0.1 . 1 . . . . . . . . 4829 1 586 . 1 1 59 59 ARG CB C 13 26.456 0.1 . 1 . . . . . . . . 4829 1 587 . 1 1 59 59 ARG CG C 13 24.379 0.1 . 1 . . . . . . . . 4829 1 588 . 1 1 59 59 ARG CD C 13 40.778 0.1 . 1 . . . . . . . . 4829 1 589 . 1 1 59 59 ARG N N 15 120.257 0.1 . 1 . . . . . . . . 4829 1 590 . 1 1 59 59 ARG NE N 15 119.871 0.1 . 1 . . . . . . . . 4829 1 591 . 1 1 60 60 TYR H H 1 7.215 0.01 . 1 . . . . . . . . 4829 1 592 . 1 1 60 60 TYR HA H 1 4.521 0.01 . 1 . . . . . . . . 4829 1 593 . 1 1 60 60 TYR HB2 H 1 2.624 0.02 . 2 . . . . . . . . 4829 1 594 . 1 1 60 60 TYR HB3 H 1 2.539 0.02 . 2 . . . . . . . . 4829 1 595 . 1 1 60 60 TYR HD1 H 1 6.683 0.01 . 1 . . . . . . . . 4829 1 596 . 1 1 60 60 TYR HD2 H 1 6.683 0.01 . 1 . . . . . . . . 4829 1 597 . 1 1 60 60 TYR HE1 H 1 7.094 0.01 . 1 . . . . . . . . 4829 1 598 . 1 1 60 60 TYR HE2 H 1 7.094 0.01 . 1 . . . . . . . . 4829 1 599 . 1 1 60 60 TYR CA C 13 54.521 0.1 . 1 . . . . . . . . 4829 1 600 . 1 1 60 60 TYR CB C 13 34.51 0.1 . 1 . . . . . . . . 4829 1 601 . 1 1 60 60 TYR CD1 C 13 130.253 0.1 . 1 . . . . . . . . 4829 1 602 . 1 1 60 60 TYR CD2 C 13 130.253 0.1 . 1 . . . . . . . . 4829 1 603 . 1 1 60 60 TYR CE1 C 13 116.698 0.1 . 1 . . . . . . . . 4829 1 604 . 1 1 60 60 TYR CE2 C 13 116.698 0.1 . 1 . . . . . . . . 4829 1 605 . 1 1 60 60 TYR N N 15 113.995 0.1 . 1 . . . . . . . . 4829 1 606 . 1 1 61 61 PHE H H 1 7.729 0.01 . 1 . . . . . . . . 4829 1 607 . 1 1 61 61 PHE HA H 1 5.765 0.01 . 1 . . . . . . . . 4829 1 608 . 1 1 61 61 PHE HB2 H 1 3.438 0.01 . 2 . . . . . . . . 4829 1 609 . 1 1 61 61 PHE HB3 H 1 3.33 0.01 . 2 . . . . . . . . 4829 1 610 . 1 1 61 61 PHE HD1 H 1 7.434 0.01 . 1 . . . . . . . . 4829 1 611 . 1 1 61 61 PHE HD2 H 1 7.434 0.01 . 1 . . . . . . . . 4829 1 612 . 1 1 61 61 PHE HE1 H 1 7.078 0.01 . 1 . . . . . . . . 4829 1 613 . 1 1 61 61 PHE HE2 H 1 7.078 0.01 . 1 . . . . . . . . 4829 1 614 . 1 1 61 61 PHE CA C 13 53.604 0.1 . 1 . . . . . . . . 4829 1 615 . 1 1 61 61 PHE CB C 13 37.367 0.1 . 1 . . . . . . . . 4829 1 616 . 1 1 61 61 PHE CD1 C 13 129.769 0.1 . 1 . . . . . . . . 4829 1 617 . 1 1 61 61 PHE CD2 C 13 129.769 0.1 . 1 . . . . . . . . 4829 1 618 . 1 1 61 61 PHE CE1 C 13 128.559 0.1 . 1 . . . . . . . . 4829 1 619 . 1 1 61 61 PHE CE2 C 13 128.559 0.1 . 1 . . . . . . . . 4829 1 620 . 1 1 61 61 PHE N N 15 118.575 0.1 . 1 . . . . . . . . 4829 1 621 . 1 1 62 62 ILE H H 1 9.438 0.01 . 1 . . . . . . . . 4829 1 622 . 1 1 62 62 ILE HA H 1 4.711 0.01 . 1 . . . . . . . . 4829 1 623 . 1 1 62 62 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 4829 1 624 . 1 1 62 62 ILE HG12 H 1 1.157 0.01 . 2 . . . . . . . . 4829 1 625 . 1 1 62 62 ILE HG13 H 1 1.513 0.01 . 2 . . . . . . . . 4829 1 626 . 1 1 62 62 ILE HG21 H 1 0.954 0.01 . 1 . . . . . . . . 4829 1 627 . 1 1 62 62 ILE HG22 H 1 0.954 0.01 . 1 . . . . . . . . 4829 1 628 . 1 1 62 62 ILE HG23 H 1 0.954 0.01 . 1 . . . . . . . . 4829 1 629 . 1 1 62 62 ILE HD11 H 1 0.964 0.01 . 1 . . . . . . . . 4829 1 630 . 1 1 62 62 ILE HD12 H 1 0.964 0.01 . 1 . . . . . . . . 4829 1 631 . 1 1 62 62 ILE HD13 H 1 0.964 0.01 . 1 . . . . . . . . 4829 1 632 . 1 1 62 62 ILE CA C 13 56.822 0.1 . 1 . . . . . . . . 4829 1 633 . 1 1 62 62 ILE CB C 13 39.023 0.1 . 1 . . . . . . . . 4829 1 634 . 1 1 62 62 ILE CG1 C 13 24.365 0.1 . 1 . . . . . . . . 4829 1 635 . 1 1 62 62 ILE CG2 C 13 14.879 0.1 . 1 . . . . . . . . 4829 1 636 . 1 1 62 62 ILE CD1 C 13 15.06 0.1 . 1 . . . . . . . . 4829 1 637 . 1 1 62 62 ILE N N 15 120.532 0.1 . 1 . . . . . . . . 4829 1 638 . 1 1 63 63 LYS H H 1 8.298 0.01 . 1 . . . . . . . . 4829 1 639 . 1 1 63 63 LYS HA H 1 3.952 0.02 . 1 . . . . . . . . 4829 1 640 . 1 1 63 63 LYS HB2 H 1 1.165 0.02 . 2 . . . . . . . . 4829 1 641 . 1 1 63 63 LYS HB3 H 1 0.927 0.01 . 2 . . . . . . . . 4829 1 642 . 1 1 63 63 LYS HG2 H 1 0.364 0.01 . 2 . . . . . . . . 4829 1 643 . 1 1 63 63 LYS HG3 H 1 0.386 0.01 . 2 . . . . . . . . 4829 1 644 . 1 1 63 63 LYS HD2 H 1 1.34 0.01 . 1 . . . . . . . . 4829 1 645 . 1 1 63 63 LYS HD3 H 1 1.34 0.01 . 1 . . . . . . . . 4829 1 646 . 1 1 63 63 LYS HE2 H 1 2.78 0.01 . 1 . . . . . . . . 4829 1 647 . 1 1 63 63 LYS HE3 H 1 2.78 0.01 . 1 . . . . . . . . 4829 1 648 . 1 1 63 63 LYS CA C 13 52.92 0.1 . 1 . . . . . . . . 4829 1 649 . 1 1 63 63 LYS CB C 13 29.757 0.1 . 1 . . . . . . . . 4829 1 650 . 1 1 63 63 LYS CG C 13 22.08 0.1 . 1 . . . . . . . . 4829 1 651 . 1 1 63 63 LYS CD C 13 26.8 0.1 . 1 . . . . . . . . 4829 1 652 . 1 1 63 63 LYS CE C 13 39.386 0.1 . 1 . . . . . . . . 4829 1 653 . 1 1 63 63 LYS N N 15 125.37 0.1 . 1 . . . . . . . . 4829 1 654 . 1 1 64 64 VAL H H 1 8.711 0.01 . 1 . . . . . . . . 4829 1 655 . 1 1 64 64 VAL HA H 1 4.294 0.01 . 1 . . . . . . . . 4829 1 656 . 1 1 64 64 VAL HB H 1 1.985 0.01 . 1 . . . . . . . . 4829 1 657 . 1 1 64 64 VAL HG11 H 1 0.958 0.01 . 2 . . . . . . . . 4829 1 658 . 1 1 64 64 VAL HG12 H 1 0.958 0.01 . 2 . . . . . . . . 4829 1 659 . 1 1 64 64 VAL HG13 H 1 0.958 0.01 . 2 . . . . . . . . 4829 1 660 . 1 1 64 64 VAL HG21 H 1 0.825 0.01 . 2 . . . . . . . . 4829 1 661 . 1 1 64 64 VAL HG22 H 1 0.825 0.01 . 2 . . . . . . . . 4829 1 662 . 1 1 64 64 VAL HG23 H 1 0.825 0.01 . 2 . . . . . . . . 4829 1 663 . 1 1 64 64 VAL CA C 13 57.317 0.1 . 1 . . . . . . . . 4829 1 664 . 1 1 64 64 VAL CB C 13 30.794 0.1 . 1 . . . . . . . . 4829 1 665 . 1 1 64 64 VAL CG1 C 13 18.207 0.1 . 1 . . . . . . . . 4829 1 666 . 1 1 64 64 VAL CG2 C 13 18.268 0.1 . 1 . . . . . . . . 4829 1 667 . 1 1 64 64 VAL N N 15 127.117 0.1 . 1 . . . . . . . . 4829 1 668 . 1 1 65 65 PRO HA H 1 4.419 0.01 . 1 . . . . . . . . 4829 1 669 . 1 1 65 65 PRO HB2 H 1 2.264 0.01 . 1 . . . . . . . . 4829 1 670 . 1 1 65 65 PRO HG2 H 1 1.962 0.01 . 1 . . . . . . . . 4829 1 671 . 1 1 65 65 PRO HG3 H 1 1.962 0.01 . 1 . . . . . . . . 4829 1 672 . 1 1 65 65 PRO CA C 13 60.703 0.1 . 1 . . . . . . . . 4829 1 673 . 1 1 65 65 PRO CB C 13 29.343 0.1 . 1 . . . . . . . . 4829 1 674 . 1 1 65 65 PRO CG C 13 27.526 0.1 . 1 . . . . . . . . 4829 1 675 . 1 1 66 66 ARG H H 1 8.304 0.01 . 1 . . . . . . . . 4829 1 676 . 1 1 66 66 ARG HA H 1 4.327 0.01 . 1 . . . . . . . . 4829 1 677 . 1 1 66 66 ARG HB2 H 1 1.832 0.02 . 2 . . . . . . . . 4829 1 678 . 1 1 66 66 ARG HB3 H 1 1.608 0.02 . 2 . . . . . . . . 4829 1 679 . 1 1 66 66 ARG HG2 H 1 1.531 0.01 . 2 . . . . . . . . 4829 1 680 . 1 1 66 66 ARG HG3 H 1 1.473 0.01 . 2 . . . . . . . . 4829 1 681 . 1 1 66 66 ARG HD2 H 1 3.054 0.01 . 1 . . . . . . . . 4829 1 682 . 1 1 66 66 ARG HD3 H 1 3.054 0.01 . 1 . . . . . . . . 4829 1 683 . 1 1 66 66 ARG HE H 1 7.101 0.01 . 1 . . . . . . . . 4829 1 684 . 1 1 66 66 ARG CA C 13 53.921 0.1 . 1 . . . . . . . . 4829 1 685 . 1 1 66 66 ARG CB C 13 28.377 0.1 . 1 . . . . . . . . 4829 1 686 . 1 1 66 66 ARG CG C 13 22.685 0.1 . 1 . . . . . . . . 4829 1 687 . 1 1 66 66 ARG CD C 13 40.112 0.1 . 1 . . . . . . . . 4829 1 688 . 1 1 66 66 ARG N N 15 120.768 0.1 . 1 . . . . . . . . 4829 1 689 . 1 1 66 66 ARG NE N 15 119.868 0.1 . 1 . . . . . . . . 4829 1 690 . 1 1 67 67 SER H H 1 8.597 0.01 . 1 . . . . . . . . 4829 1 691 . 1 1 67 67 SER HA H 1 4.467 0.01 . 1 . . . . . . . . 4829 1 692 . 1 1 67 67 SER HB2 H 1 3.984 0.01 . 2 . . . . . . . . 4829 1 693 . 1 1 67 67 SER HB3 H 1 3.868 0.01 . 2 . . . . . . . . 4829 1 694 . 1 1 67 67 SER CA C 13 55.823 0.1 . 1 . . . . . . . . 4829 1 695 . 1 1 67 67 SER CB C 13 61.421 0.1 . 1 . . . . . . . . 4829 1 696 . 1 1 67 67 SER N N 15 115.749 0.1 . 1 . . . . . . . . 4829 1 697 . 1 1 68 68 GLN H H 1 8.493 0.01 . 1 . . . . . . . . 4829 1 698 . 1 1 68 68 GLN HA H 1 4.269 0.01 . 1 . . . . . . . . 4829 1 699 . 1 1 68 68 GLN HB2 H 1 2.175 0.02 . 2 . . . . . . . . 4829 1 700 . 1 1 68 68 GLN HG2 H 1 2.4 0.01 . 1 . . . . . . . . 4829 1 701 . 1 1 68 68 GLN HG3 H 1 2.4 0.01 . 1 . . . . . . . . 4829 1 702 . 1 1 68 68 GLN HE21 H 1 6.863 0.01 . 2 . . . . . . . . 4829 1 703 . 1 1 68 68 GLN HE22 H 1 7.585 0.01 . 2 . . . . . . . . 4829 1 704 . 1 1 68 68 GLN CA C 13 54.309 0.1 . 1 . . . . . . . . 4829 1 705 . 1 1 68 68 GLN CB C 13 26.296 0.1 . 1 . . . . . . . . 4829 1 706 . 1 1 68 68 GLN CG C 13 31.459 0.1 . 1 . . . . . . . . 4829 1 707 . 1 1 68 68 GLN N N 15 121.175 0.1 . 1 . . . . . . . . 4829 1 708 . 1 1 68 68 GLN NE2 N 15 111.426 0.1 . 1 . . . . . . . . 4829 1 709 . 1 1 69 69 GLU H H 1 8.367 0.01 . 1 . . . . . . . . 4829 1 710 . 1 1 69 69 GLU HA H 1 4.022 0.01 . 1 . . . . . . . . 4829 1 711 . 1 1 69 69 GLU HB2 H 1 1.962 0.01 . 2 . . . . . . . . 4829 1 712 . 1 1 69 69 GLU HB3 H 1 2.099 0.02 . 2 . . . . . . . . 4829 1 713 . 1 1 69 69 GLU HG2 H 1 2.294 0.01 . 1 . . . . . . . . 4829 1 714 . 1 1 69 69 GLU CA C 13 54.439 0.1 . 1 . . . . . . . . 4829 1 715 . 1 1 69 69 GLU CB C 13 27.129 0.1 . 1 . . . . . . . . 4829 1 716 . 1 1 69 69 GLU N N 15 118.717 0.1 . 1 . . . . . . . . 4829 1 717 . 1 1 70 70 GLU H H 1 7.992 0.01 . 1 . . . . . . . . 4829 1 718 . 1 1 70 70 GLU HA H 1 4.749 0.01 . 1 . . . . . . . . 4829 1 719 . 1 1 70 70 GLU HB2 H 1 1.953 0.01 . 2 . . . . . . . . 4829 1 720 . 1 1 70 70 GLU HB3 H 1 2.069 0.01 . 2 . . . . . . . . 4829 1 721 . 1 1 70 70 GLU HG2 H 1 2.261 0.01 . 1 . . . . . . . . 4829 1 722 . 1 1 70 70 GLU CA C 13 51.551 0.1 . 1 . . . . . . . . 4829 1 723 . 1 1 70 70 GLU CB C 13 27.889 0.1 . 1 . . . . . . . . 4829 1 724 . 1 1 70 70 GLU CG C 13 33.88 0.1 . 1 . . . . . . . . 4829 1 725 . 1 1 70 70 GLU N N 15 120.519 0.1 . 1 . . . . . . . . 4829 1 726 . 1 1 71 71 PRO HA H 1 4.411 0.01 . 1 . . . . . . . . 4829 1 727 . 1 1 71 71 PRO HB2 H 1 2.331 0.01 . 2 . . . . . . . . 4829 1 728 . 1 1 71 71 PRO HB3 H 1 1.971 0.01 . 2 . . . . . . . . 4829 1 729 . 1 1 71 71 PRO HG2 H 1 2.082 0.01 . 1 . . . . . . . . 4829 1 730 . 1 1 71 71 PRO HG3 H 1 2.082 0.01 . 1 . . . . . . . . 4829 1 731 . 1 1 71 71 PRO HD2 H 1 3.749 0.01 . 1 . . . . . . . . 4829 1 732 . 1 1 71 71 PRO CA C 13 61.954 0.1 . 1 . . . . . . . . 4829 1 733 . 1 1 71 71 PRO CB C 13 29.644 0.1 . 1 . . . . . . . . 4829 1 734 . 1 1 71 71 PRO CG C 13 24.984 0.1 . 1 . . . . . . . . 4829 1 735 . 1 1 71 71 PRO CD C 13 48.403 0.1 . 1 . . . . . . . . 4829 1 736 . 1 1 72 72 GLY H H 1 8.76 0.01 . 1 . . . . . . . . 4829 1 737 . 1 1 72 72 GLY HA2 H 1 4.055 0.01 . 2 . . . . . . . . 4829 1 738 . 1 1 72 72 GLY HA3 H 1 3.936 0.01 . 2 . . . . . . . . 4829 1 739 . 1 1 72 72 GLY CA C 13 43.164 0.1 . 1 . . . . . . . . 4829 1 740 . 1 1 72 72 GLY N N 15 108.288 0.1 . 1 . . . . . . . . 4829 1 741 . 1 1 73 73 LYS H H 1 7.858 0.01 . 1 . . . . . . . . 4829 1 742 . 1 1 73 73 LYS HA H 1 4.443 0.01 . 1 . . . . . . . . 4829 1 743 . 1 1 73 73 LYS HB2 H 1 1.914 0.01 . 2 . . . . . . . . 4829 1 744 . 1 1 73 73 LYS HB3 H 1 1.873 0.01 . 2 . . . . . . . . 4829 1 745 . 1 1 73 73 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 4829 1 746 . 1 1 73 73 LYS HG3 H 1 1.511 0.01 . 2 . . . . . . . . 4829 1 747 . 1 1 73 73 LYS HD2 H 1 1.673 0.01 . 2 . . . . . . . . 4829 1 748 . 1 1 73 73 LYS HD3 H 1 1.708 0.01 . 2 . . . . . . . . 4829 1 749 . 1 1 73 73 LYS HE2 H 1 3.011 0.01 . 1 . . . . . . . . 4829 1 750 . 1 1 73 73 LYS HE3 H 1 3.011 0.01 . 1 . . . . . . . . 4829 1 751 . 1 1 73 73 LYS CA C 13 53.815 0.1 . 1 . . . . . . . . 4829 1 752 . 1 1 73 73 LYS CB C 13 30.521 0.1 . 1 . . . . . . . . 4829 1 753 . 1 1 73 73 LYS CG C 13 22.685 0.1 . 1 . . . . . . . . 4829 1 754 . 1 1 73 73 LYS CD C 13 26.497 0.1 . 1 . . . . . . . . 4829 1 755 . 1 1 73 73 LYS CE C 13 39.689 0.1 . 1 . . . . . . . . 4829 1 756 . 1 1 73 73 LYS N N 15 118.957 0.1 . 1 . . . . . . . . 4829 1 757 . 1 1 74 74 GLY H H 1 8.198 0.01 . 1 . . . . . . . . 4829 1 758 . 1 1 74 74 GLY HA2 H 1 4.017 0.02 . 1 . . . . . . . . 4829 1 759 . 1 1 74 74 GLY HA3 H 1 4.017 0.02 . 1 . . . . . . . . 4829 1 760 . 1 1 74 74 GLY CA C 13 42.313 0.1 . 1 . . . . . . . . 4829 1 761 . 1 1 74 74 GLY N N 15 107.525 0.1 . 1 . . . . . . . . 4829 1 762 . 1 1 75 75 SER H H 1 8.042 0.01 . 1 . . . . . . . . 4829 1 763 . 1 1 75 75 SER HA H 1 4.522 0.01 . 1 . . . . . . . . 4829 1 764 . 1 1 75 75 SER HB2 H 1 3.546 0.01 . 2 . . . . . . . . 4829 1 765 . 1 1 75 75 SER HB3 H 1 3.361 0.01 . 2 . . . . . . . . 4829 1 766 . 1 1 75 75 SER CA C 13 56.199 0.1 . 1 . . . . . . . . 4829 1 767 . 1 1 75 75 SER CB C 13 62.018 0.1 . 1 . . . . . . . . 4829 1 768 . 1 1 75 75 SER N N 15 113.918 0.1 . 1 . . . . . . . . 4829 1 769 . 1 1 76 76 PHE H H 1 8.71 0.01 . 1 . . . . . . . . 4829 1 770 . 1 1 76 76 PHE HA H 1 4.519 0.02 . 1 . . . . . . . . 4829 1 771 . 1 1 76 76 PHE HB2 H 1 2.733 0.02 . 1 . . . . . . . . 4829 1 772 . 1 1 76 76 PHE HD1 H 1 7.034 0.01 . 2 . . . . . . . . 4829 1 773 . 1 1 76 76 PHE HD2 H 1 7.383 0.01 . 2 . . . . . . . . 4829 1 774 . 1 1 76 76 PHE CA C 13 55.317 0.1 . 1 . . . . . . . . 4829 1 775 . 1 1 76 76 PHE CB C 13 39.806 0.1 . 1 . . . . . . . . 4829 1 776 . 1 1 76 76 PHE CD1 C 13 128.68 0.1 . 1 . . . . . . . . 4829 1 777 . 1 1 76 76 PHE CD2 C 13 129.103 0.1 . 1 . . . . . . . . 4829 1 778 . 1 1 76 76 PHE N N 15 119.734 0.1 . 1 . . . . . . . . 4829 1 779 . 1 1 77 77 TRP H H 1 8.994 0.01 . 1 . . . . . . . . 4829 1 780 . 1 1 77 77 TRP HA H 1 5.353 0.01 . 1 . . . . . . . . 4829 1 781 . 1 1 77 77 TRP HB2 H 1 2.961 0.01 . 1 . . . . . . . . 4829 1 782 . 1 1 77 77 TRP HD1 H 1 6.972 0.01 . 1 . . . . . . . . 4829 1 783 . 1 1 77 77 TRP HE1 H 1 9.632 0.01 . 1 . . . . . . . . 4829 1 784 . 1 1 77 77 TRP HE3 H 1 7.381 0.01 . 1 . . . . . . . . 4829 1 785 . 1 1 77 77 TRP HZ2 H 1 7.323 0.01 . 1 . . . . . . . . 4829 1 786 . 1 1 77 77 TRP HH2 H 1 7.074 0.01 . 1 . . . . . . . . 4829 1 787 . 1 1 77 77 TRP CA C 13 54.379 0.1 . 1 . . . . . . . . 4829 1 788 . 1 1 77 77 TRP CB C 13 29.099 0.1 . 1 . . . . . . . . 4829 1 789 . 1 1 77 77 TRP CD1 C 13 123.415 0.1 . 1 . . . . . . . . 4829 1 790 . 1 1 77 77 TRP CE3 C 13 118.09 0.1 . 1 . . . . . . . . 4829 1 791 . 1 1 77 77 TRP CZ2 C 13 111.373 0.1 . 1 . . . . . . . . 4829 1 792 . 1 1 77 77 TRP CH2 C 13 120.995 0.1 . 1 . . . . . . . . 4829 1 793 . 1 1 77 77 TRP N N 15 120.288 0.1 . 1 . . . . . . . . 4829 1 794 . 1 1 77 77 TRP NE1 N 15 126.097 0.1 . 1 . . . . . . . . 4829 1 795 . 1 1 78 78 ARG H H 1 9.331 0.01 . 1 . . . . . . . . 4829 1 796 . 1 1 78 78 ARG HA H 1 5.132 0.01 . 1 . . . . . . . . 4829 1 797 . 1 1 78 78 ARG HB2 H 1 1.944 0.01 . 2 . . . . . . . . 4829 1 798 . 1 1 78 78 ARG HB3 H 1 2.167 0.02 . 2 . . . . . . . . 4829 1 799 . 1 1 78 78 ARG HG2 H 1 1.477 0.01 . 1 . . . . . . . . 4829 1 800 . 1 1 78 78 ARG HG3 H 1 1.477 0.01 . 1 . . . . . . . . 4829 1 801 . 1 1 78 78 ARG HD2 H 1 3.186 0.01 . 1 . . . . . . . . 4829 1 802 . 1 1 78 78 ARG HD3 H 1 3.186 0.01 . 1 . . . . . . . . 4829 1 803 . 1 1 78 78 ARG HE H 1 7.164 0.01 . 1 . . . . . . . . 4829 1 804 . 1 1 78 78 ARG CA C 13 51.931 0.1 . 1 . . . . . . . . 4829 1 805 . 1 1 78 78 ARG CB C 13 32.4 0.1 . 1 . . . . . . . . 4829 1 806 . 1 1 78 78 ARG CG C 13 26.134 0.1 . 1 . . . . . . . . 4829 1 807 . 1 1 78 78 ARG CD C 13 41.383 0.1 . 1 . . . . . . . . 4829 1 808 . 1 1 78 78 ARG N N 15 117.292 0.1 . 1 . . . . . . . . 4829 1 809 . 1 1 78 78 ARG NE N 15 119.432 0.1 . 1 . . . . . . . . 4829 1 810 . 1 1 79 79 ILE H H 1 9.269 0.01 . 1 . . . . . . . . 4829 1 811 . 1 1 79 79 ILE HA H 1 4.93 0.01 . 1 . . . . . . . . 4829 1 812 . 1 1 79 79 ILE HB H 1 1.805 0.01 . 1 . . . . . . . . 4829 1 813 . 1 1 79 79 ILE HG12 H 1 1.317 0.01 . 2 . . . . . . . . 4829 1 814 . 1 1 79 79 ILE HG21 H 1 1.018 0.01 . 1 . . . . . . . . 4829 1 815 . 1 1 79 79 ILE HG22 H 1 1.018 0.01 . 1 . . . . . . . . 4829 1 816 . 1 1 79 79 ILE HG23 H 1 1.018 0.01 . 1 . . . . . . . . 4829 1 817 . 1 1 79 79 ILE CA C 13 57.699 0.1 . 1 . . . . . . . . 4829 1 818 . 1 1 79 79 ILE CB C 13 36.207 0.1 . 1 . . . . . . . . 4829 1 819 . 1 1 79 79 ILE CG1 C 13 26.739 0.1 . 1 . . . . . . . . 4829 1 820 . 1 1 79 79 ILE CG2 C 13 15.847 0.1 . 1 . . . . . . . . 4829 1 821 . 1 1 79 79 ILE N N 15 119.174 0.1 . 1 . . . . . . . . 4829 1 822 . 1 1 80 80 ASP H H 1 8.925 0.01 . 1 . . . . . . . . 4829 1 823 . 1 1 80 80 ASP HA H 1 4.608 0.01 . 1 . . . . . . . . 4829 1 824 . 1 1 80 80 ASP HB2 H 1 2.755 0.02 . 2 . . . . . . . . 4829 1 825 . 1 1 80 80 ASP CA C 13 50.298 0.1 . 1 . . . . . . . . 4829 1 826 . 1 1 80 80 ASP CB C 13 40.839 0.1 . 1 . . . . . . . . 4829 1 827 . 1 1 80 80 ASP N N 15 127.268 0.1 . 1 . . . . . . . . 4829 1 828 . 1 1 81 81 PRO HA H 1 4.429 0.01 . 1 . . . . . . . . 4829 1 829 . 1 1 81 81 PRO HB2 H 1 2.472 0.01 . 2 . . . . . . . . 4829 1 830 . 1 1 81 81 PRO HB3 H 1 2.113 0.01 . 2 . . . . . . . . 4829 1 831 . 1 1 81 81 PRO CA C 13 62.851 0.1 . 1 . . . . . . . . 4829 1 832 . 1 1 81 81 PRO CB C 13 29.455 0.1 . 1 . . . . . . . . 4829 1 833 . 1 1 82 82 ALA H H 1 8.349 0.01 . 1 . . . . . . . . 4829 1 834 . 1 1 82 82 ALA HA H 1 4.323 0.01 . 1 . . . . . . . . 4829 1 835 . 1 1 82 82 ALA HB1 H 1 1.542 0.01 . 1 . . . . . . . . 4829 1 836 . 1 1 82 82 ALA HB2 H 1 1.542 0.01 . 1 . . . . . . . . 4829 1 837 . 1 1 82 82 ALA HB3 H 1 1.542 0.01 . 1 . . . . . . . . 4829 1 838 . 1 1 82 82 ALA CA C 13 51.798 0.1 . 1 . . . . . . . . 4829 1 839 . 1 1 82 82 ALA CB C 13 15.72 0.1 . 1 . . . . . . . . 4829 1 840 . 1 1 82 82 ALA N N 15 118.607 0.1 . 1 . . . . . . . . 4829 1 841 . 1 1 83 83 SER H H 1 7.822 0.01 . 1 . . . . . . . . 4829 1 842 . 1 1 83 83 SER HA H 1 4.682 0.01 . 1 . . . . . . . . 4829 1 843 . 1 1 83 83 SER HB2 H 1 3.866 0.01 . 2 . . . . . . . . 4829 1 844 . 1 1 83 83 SER HB3 H 1 3.72 0.01 . 2 . . . . . . . . 4829 1 845 . 1 1 83 83 SER CA C 13 56.327 0.1 . 1 . . . . . . . . 4829 1 846 . 1 1 83 83 SER CB C 13 62.264 0.1 . 1 . . . . . . . . 4829 1 847 . 1 1 83 83 SER N N 15 111.327 0.1 . 1 . . . . . . . . 4829 1 848 . 1 1 84 84 GLU H H 1 7.43 0.01 . 1 . . . . . . . . 4829 1 849 . 1 1 84 84 GLU HA H 1 3.712 0.02 . 1 . . . . . . . . 4829 1 850 . 1 1 84 84 GLU HB2 H 1 2.136 0.02 . 2 . . . . . . . . 4829 1 851 . 1 1 84 84 GLU HB3 H 1 1.939 0.02 . 2 . . . . . . . . 4829 1 852 . 1 1 84 84 GLU HG2 H 1 1.766 0.01 . 2 . . . . . . . . 4829 1 853 . 1 1 84 84 GLU CA C 13 58.597 0.1 . 1 . . . . . . . . 4829 1 854 . 1 1 84 84 GLU CB C 13 27.996 0.1 . 1 . . . . . . . . 4829 1 855 . 1 1 84 84 GLU CG C 13 30.31 0.1 . 1 . . . . . . . . 4829 1 856 . 1 1 84 84 GLU N N 15 121.12 0.1 . 1 . . . . . . . . 4829 1 857 . 1 1 85 85 SER H H 1 8.831 0.01 . 1 . . . . . . . . 4829 1 858 . 1 1 85 85 SER HA H 1 4.161 0.01 . 1 . . . . . . . . 4829 1 859 . 1 1 85 85 SER HB2 H 1 3.972 0.01 . 1 . . . . . . . . 4829 1 860 . 1 1 85 85 SER HB3 H 1 3.972 0.01 . 1 . . . . . . . . 4829 1 861 . 1 1 85 85 SER CA C 13 59.824 0.1 . 1 . . . . . . . . 4829 1 862 . 1 1 85 85 SER CB C 13 59.824 0.1 . 1 . . . . . . . . 4829 1 863 . 1 1 85 85 SER N N 15 112.792 0.1 . 1 . . . . . . . . 4829 1 864 . 1 1 86 86 LYS H H 1 7.841 0.01 . 1 . . . . . . . . 4829 1 865 . 1 1 86 86 LYS HA H 1 4.216 0.02 . 1 . . . . . . . . 4829 1 866 . 1 1 86 86 LYS HB2 H 1 1.862 0.02 . 2 . . . . . . . . 4829 1 867 . 1 1 86 86 LYS HG2 H 1 1.483 0.01 . 1 . . . . . . . . 4829 1 868 . 1 1 86 86 LYS HG3 H 1 1.483 0.01 . 1 . . . . . . . . 4829 1 869 . 1 1 86 86 LYS HD2 H 1 1.682 0.01 . 1 . . . . . . . . 4829 1 870 . 1 1 86 86 LYS HD3 H 1 1.682 0.01 . 1 . . . . . . . . 4829 1 871 . 1 1 86 86 LYS HE2 H 1 3.042 0.01 . 1 . . . . . . . . 4829 1 872 . 1 1 86 86 LYS HE3 H 1 3.042 0.01 . 1 . . . . . . . . 4829 1 873 . 1 1 86 86 LYS CA C 13 55.888 0.1 . 1 . . . . . . . . 4829 1 874 . 1 1 86 86 LYS CB C 13 29.248 0.1 . 1 . . . . . . . . 4829 1 875 . 1 1 86 86 LYS CG C 13 22.685 0.1 . 1 . . . . . . . . 4829 1 876 . 1 1 86 86 LYS CE C 13 39.689 0.1 . 1 . . . . . . . . 4829 1 877 . 1 1 86 86 LYS N N 15 120.597 0.01 . 1 . . . . . . . . 4829 1 878 . 1 1 87 87 LEU H H 1 7.848 0.01 . 1 . . . . . . . . 4829 1 879 . 1 1 87 87 LEU HA H 1 4.031 0.01 . 1 . . . . . . . . 4829 1 880 . 1 1 87 87 LEU HB2 H 1 1.707 0.02 . 2 . . . . . . . . 4829 1 881 . 1 1 87 87 LEU HB3 H 1 1.309 0.02 . 2 . . . . . . . . 4829 1 882 . 1 1 87 87 LEU HG H 1 1.29 0.01 . 1 . . . . . . . . 4829 1 883 . 1 1 87 87 LEU HD11 H 1 0.279 0.01 . 2 . . . . . . . . 4829 1 884 . 1 1 87 87 LEU HD12 H 1 0.279 0.01 . 2 . . . . . . . . 4829 1 885 . 1 1 87 87 LEU HD13 H 1 0.279 0.01 . 2 . . . . . . . . 4829 1 886 . 1 1 87 87 LEU HD21 H 1 0.27 0.01 . 2 . . . . . . . . 4829 1 887 . 1 1 87 87 LEU HD22 H 1 0.27 0.01 . 2 . . . . . . . . 4829 1 888 . 1 1 87 87 LEU HD23 H 1 0.27 0.01 . 2 . . . . . . . . 4829 1 889 . 1 1 87 87 LEU CA C 13 55.065 0.1 . 1 . . . . . . . . 4829 1 890 . 1 1 87 87 LEU CB C 13 38.835 0.1 . 1 . . . . . . . . 4829 1 891 . 1 1 87 87 LEU CG C 13 21.596 0.1 . 1 . . . . . . . . 4829 1 892 . 1 1 87 87 LEU CD1 C 13 19.417 0.1 . 1 . . . . . . . . 4829 1 893 . 1 1 87 87 LEU CD2 C 13 23.532 0.1 . 1 . . . . . . . . 4829 1 894 . 1 1 87 87 LEU N N 15 118.673 0.1 . 1 . . . . . . . . 4829 1 895 . 1 1 88 88 ILE H H 1 8.544 0.01 . 1 . . . . . . . . 4829 1 896 . 1 1 88 88 ILE HA H 1 3.688 0.01 . 1 . . . . . . . . 4829 1 897 . 1 1 88 88 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 4829 1 898 . 1 1 88 88 ILE HG12 H 1 1.208 0.01 . 1 . . . . . . . . 4829 1 899 . 1 1 88 88 ILE HG21 H 1 1.012 0.01 . 1 . . . . . . . . 4829 1 900 . 1 1 88 88 ILE HG22 H 1 1.012 0.01 . 1 . . . . . . . . 4829 1 901 . 1 1 88 88 ILE HG23 H 1 1.012 0.01 . 1 . . . . . . . . 4829 1 902 . 1 1 88 88 ILE HD11 H 1 0.779 0.01 . 1 . . . . . . . . 4829 1 903 . 1 1 88 88 ILE HD12 H 1 0.779 0.01 . 1 . . . . . . . . 4829 1 904 . 1 1 88 88 ILE HD13 H 1 0.779 0.01 . 1 . . . . . . . . 4829 1 905 . 1 1 88 88 ILE CA C 13 63.521 0.1 . 1 . . . . . . . . 4829 1 906 . 1 1 88 88 ILE CB C 13 35.574 0.1 . 1 . . . . . . . . 4829 1 907 . 1 1 88 88 ILE CG1 C 13 27.344 0.1 . 1 . . . . . . . . 4829 1 908 . 1 1 88 88 ILE CG2 C 13 15.242 0.1 . 1 . . . . . . . . 4829 1 909 . 1 1 88 88 ILE CD1 C 13 16.15 0.1 . 1 . . . . . . . . 4829 1 910 . 1 1 88 88 ILE N N 15 119.257 0.1 . 1 . . . . . . . . 4829 1 911 . 1 1 89 89 GLU H H 1 7.564 0.1 . 1 . . . . . . . . 4829 1 912 . 1 1 89 89 GLU HA H 1 4.185 0.01 . 1 . . . . . . . . 4829 1 913 . 1 1 89 89 GLU HB2 H 1 2.235 0.01 . 2 . . . . . . . . 4829 1 914 . 1 1 89 89 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 4829 1 915 . 1 1 89 89 GLU CA C 13 56.748 0.1 . 1 . . . . . . . . 4829 1 916 . 1 1 89 89 GLU CB C 13 26.777 0.1 . 1 . . . . . . . . 4829 1 917 . 1 1 89 89 GLU CG C 13 33.819 0.1 . 1 . . . . . . . . 4829 1 918 . 1 1 89 89 GLU N N 15 118.607 0.1 . 1 . . . . . . . . 4829 1 919 . 1 1 90 90 GLN H H 1 7.559 0.01 . 1 . . . . . . . . 4829 1 920 . 1 1 90 90 GLN HA H 1 4.292 0.01 . 1 . . . . . . . . 4829 1 921 . 1 1 90 90 GLN HB2 H 1 2.122 0.01 . 2 . . . . . . . . 4829 1 922 . 1 1 90 90 GLN HB3 H 1 2.255 0.02 . 2 . . . . . . . . 4829 1 923 . 1 1 90 90 GLN HG2 H 1 2.602 0.01 . 1 . . . . . . . . 4829 1 924 . 1 1 90 90 GLN HG3 H 1 2.602 0.01 . 1 . . . . . . . . 4829 1 925 . 1 1 90 90 GLN HE21 H 1 7.548 0.01 . 2 . . . . . . . . 4829 1 926 . 1 1 90 90 GLN HE22 H 1 7.788 0.01 . 2 . . . . . . . . 4829 1 927 . 1 1 90 90 GLN CA C 13 54.233 0.1 . 1 . . . . . . . . 4829 1 928 . 1 1 90 90 GLN CB C 13 26.605 0.1 . 1 . . . . . . . . 4829 1 929 . 1 1 90 90 GLN CG C 13 31.459 0.1 . 1 . . . . . . . . 4829 1 930 . 1 1 90 90 GLN N N 15 114.003 0.1 . 1 . . . . . . . . 4829 1 931 . 1 1 90 90 GLN NE2 N 15 113.529 0.1 . 1 . . . . . . . . 4829 1 932 . 1 1 91 91 ALA H H 1 8.087 0.01 . 1 . . . . . . . . 4829 1 933 . 1 1 91 91 ALA HA H 1 4.029 0.01 . 1 . . . . . . . . 4829 1 934 . 1 1 91 91 ALA HB1 H 1 1.359 0.01 . 1 . . . . . . . . 4829 1 935 . 1 1 91 91 ALA HB2 H 1 1.359 0.01 . 1 . . . . . . . . 4829 1 936 . 1 1 91 91 ALA HB3 H 1 1.359 0.01 . 1 . . . . . . . . 4829 1 937 . 1 1 91 91 ALA CA C 13 53.301 0.1 . 1 . . . . . . . . 4829 1 938 . 1 1 91 91 ALA CB C 13 16.198 0.1 . 1 . . . . . . . . 4829 1 939 . 1 1 91 91 ALA N N 15 122.263 0.1 . 1 . . . . . . . . 4829 1 940 . 1 1 92 92 PHE H H 1 7.967 0.01 . 1 . . . . . . . . 4829 1 941 . 1 1 92 92 PHE HA H 1 4.51 0.01 . 1 . . . . . . . . 4829 1 942 . 1 1 92 92 PHE HB2 H 1 3.503 0.01 . 2 . . . . . . . . 4829 1 943 . 1 1 92 92 PHE HB3 H 1 2.84 0.01 . 2 . . . . . . . . 4829 1 944 . 1 1 92 92 PHE HD1 H 1 7.396 0.01 . 2 . . . . . . . . 4829 1 945 . 1 1 92 92 PHE HD2 H 1 7.135 0.01 . 2 . . . . . . . . 4829 1 946 . 1 1 92 92 PHE CA C 13 55.101 0.1 . 1 . . . . . . . . 4829 1 947 . 1 1 92 92 PHE CB C 13 36.51 0.1 . 1 . . . . . . . . 4829 1 948 . 1 1 92 92 PHE CD1 C 13 130.495 0.1 . 1 . . . . . . . . 4829 1 949 . 1 1 92 92 PHE CD2 C 13 128.619 0.1 . 1 . . . . . . . . 4829 1 950 . 1 1 92 92 PHE N N 15 110.793 0.1 . 1 . . . . . . . . 4829 1 951 . 1 1 93 93 ARG H H 1 7.528 0.01 . 1 . . . . . . . . 4829 1 952 . 1 1 93 93 ARG HA H 1 4.478 0.01 . 1 . . . . . . . . 4829 1 953 . 1 1 93 93 ARG HB2 H 1 1.946 0.01 . 2 . . . . . . . . 4829 1 954 . 1 1 93 93 ARG HB3 H 1 1.702 0.01 . 2 . . . . . . . . 4829 1 955 . 1 1 93 93 ARG HG2 H 1 1.839 0.01 . 2 . . . . . . . . 4829 1 956 . 1 1 93 93 ARG HG3 H 1 1.738 0.01 . 2 . . . . . . . . 4829 1 957 . 1 1 93 93 ARG HD2 H 1 3.313 0.01 . 1 . . . . . . . . 4829 1 958 . 1 1 93 93 ARG HD3 H 1 3.313 0.01 . 1 . . . . . . . . 4829 1 959 . 1 1 93 93 ARG HE H 1 7.244 0.01 . 1 . . . . . . . . 4829 1 960 . 1 1 93 93 ARG CA C 13 53.941 0.1 . 1 . . . . . . . . 4829 1 961 . 1 1 93 93 ARG CB C 13 27.345 0.1 . 1 . . . . . . . . 4829 1 962 . 1 1 93 93 ARG CG C 13 24.984 0.1 . 1 . . . . . . . . 4829 1 963 . 1 1 93 93 ARG CD C 13 41.141 0.1 . 1 . . . . . . . . 4829 1 964 . 1 1 93 93 ARG N N 15 121.374 0.1 . 1 . . . . . . . . 4829 1 965 . 1 1 93 93 ARG NE N 15 120.08 0.1 . 1 . . . . . . . . 4829 1 966 . 1 1 94 94 LYS H H 1 8.603 0.1 . 1 . . . . . . . . 4829 1 967 . 1 1 94 94 LYS HA H 1 4.226 0.01 . 1 . . . . . . . . 4829 1 968 . 1 1 94 94 LYS HB2 H 1 1.766 0.01 . 1 . . . . . . . . 4829 1 969 . 1 1 94 94 LYS HG2 H 1 1.297 0.01 . 1 . . . . . . . . 4829 1 970 . 1 1 94 94 LYS HG3 H 1 1.297 0.01 . 1 . . . . . . . . 4829 1 971 . 1 1 94 94 LYS HE2 H 1 2.965 0.01 . 1 . . . . . . . . 4829 1 972 . 1 1 94 94 LYS HE3 H 1 2.965 0.01 . 1 . . . . . . . . 4829 1 973 . 1 1 94 94 LYS CA C 13 54.451 0.1 . 1 . . . . . . . . 4829 1 974 . 1 1 94 94 LYS CB C 13 30.521 0.1 . 1 . . . . . . . . 4829 1 975 . 1 1 94 94 LYS CG C 13 22.806 0.1 . 1 . . . . . . . . 4829 1 976 . 1 1 94 94 LYS CE C 13 39.628 0.1 . 1 . . . . . . . . 4829 1 977 . 1 1 94 94 LYS N N 15 124.518 0.1 . 1 . . . . . . . . 4829 1 978 . 1 1 95 95 ARG H H 1 8.471 0.01 . 1 . . . . . . . . 4829 1 979 . 1 1 95 95 ARG HA H 1 4.364 0.01 . 1 . . . . . . . . 4829 1 980 . 1 1 95 95 ARG HB2 H 1 1.794 0.02 . 2 . . . . . . . . 4829 1 981 . 1 1 95 95 ARG HG2 H 1 1.682 0.01 . 1 . . . . . . . . 4829 1 982 . 1 1 95 95 ARG HG3 H 1 1.682 0.01 . 1 . . . . . . . . 4829 1 983 . 1 1 95 95 ARG HD2 H 1 3.178 0.01 . 1 . . . . . . . . 4829 1 984 . 1 1 95 95 ARG HD3 H 1 3.178 0.01 . 1 . . . . . . . . 4829 1 985 . 1 1 95 95 ARG CA C 13 53.317 0.1 . 1 . . . . . . . . 4829 1 986 . 1 1 95 95 ARG CB C 13 28.221 0.1 . 1 . . . . . . . . 4829 1 987 . 1 1 95 95 ARG CG C 13 24.44 0.1 . 1 . . . . . . . . 4829 1 988 . 1 1 95 95 ARG N N 15 121.813 0.1 . 1 . . . . . . . . 4829 1 989 . 1 1 96 96 ARG H H 1 8.404 0.01 . 1 . . . . . . . . 4829 1 990 . 1 1 96 96 ARG HA H 1 4.62 0.01 . 1 . . . . . . . . 4829 1 991 . 1 1 96 96 ARG HB2 H 1 1.891 0.02 . 2 . . . . . . . . 4829 1 992 . 1 1 96 96 ARG HB3 H 1 1.776 0.02 . 2 . . . . . . . . 4829 1 993 . 1 1 96 96 ARG HG2 H 1 1.714 0.01 . 1 . . . . . . . . 4829 1 994 . 1 1 96 96 ARG HG3 H 1 1.714 0.01 . 1 . . . . . . . . 4829 1 995 . 1 1 96 96 ARG HD2 H 1 3.243 0.01 . 1 . . . . . . . . 4829 1 996 . 1 1 96 96 ARG HD3 H 1 3.243 0.01 . 1 . . . . . . . . 4829 1 997 . 1 1 96 96 ARG CA C 13 51.582 0.1 . 1 . . . . . . . . 4829 1 998 . 1 1 96 96 ARG CB C 13 28.978 0.1 . 1 . . . . . . . . 4829 1 999 . 1 1 96 96 ARG N N 15 123.203 0.1 . 1 . . . . . . . . 4829 1 1000 . 1 1 97 97 PRO HA H 1 4.321 0.02 . 1 . . . . . . . . 4829 1 1001 . 1 1 97 97 PRO HB2 H 1 2.122 0.02 . 2 . . . . . . . . 4829 1 1002 . 1 1 97 97 PRO HB3 H 1 1.924 0.02 . 2 . . . . . . . . 4829 1 1003 . 1 1 97 97 PRO CA C 13 61.286 0.1 . 1 . . . . . . . . 4829 1 1004 . 1 1 97 97 PRO CB C 13 29.025 0.1 . 1 . . . . . . . . 4829 1 1005 . 1 1 98 98 ARG H H 1 7.82 0.01 . 1 . . . . . . . . 4829 1 1006 . 1 1 98 98 ARG HA H 1 4.165 0.01 . 1 . . . . . . . . 4829 1 1007 . 1 1 98 98 ARG HB2 H 1 1.868 0.02 . 2 . . . . . . . . 4829 1 1008 . 1 1 98 98 ARG HB3 H 1 1.768 0.01 . 2 . . . . . . . . 4829 1 1009 . 1 1 98 98 ARG HG2 H 1 1.638 0.01 . 1 . . . . . . . . 4829 1 1010 . 1 1 98 98 ARG HG3 H 1 1.638 0.01 . 1 . . . . . . . . 4829 1 1011 . 1 1 98 98 ARG HD2 H 1 3.238 0.01 . 1 . . . . . . . . 4829 1 1012 . 1 1 98 98 ARG HD3 H 1 3.238 0.01 . 1 . . . . . . . . 4829 1 1013 . 1 1 98 98 ARG CA C 13 55.218 0.1 . 1 . . . . . . . . 4829 1 1014 . 1 1 98 98 ARG CB C 13 30.188 0.1 . 1 . . . . . . . . 4829 1 1015 . 1 1 98 98 ARG N N 15 124.407 0.1 . 1 . . . . . . . . 4829 1 stop_ save_