data_5365 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5365 _Entry.Title ; 1H, 15N, 13C resonance assignments for the DNA-binding domain of myocyte nuclear factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-08 _Entry.Accession_date 2002-05-08 _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 Woei-Jer Chuang . . . 5365 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5365 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 661 5365 '13C chemical shifts' 184 5365 '15N chemical shifts' 89 5365 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 . . 2003-01-13 . update author 'update citation' 5365 2 . . 2002-11-04 . original author 'original release' 5365 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5365 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letters to the Editor: 1H, 15N, 13C resonance assignments for the DNA-binding domain of myocyte nuclear factor (Foxk1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _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 75 _Citation.Page_last 76 _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 Woei-Jer Chuang . . . 5365 1 2 I-Ju Yeh . . . 5365 1 3 Yu-Huei Hsieh . . . 5365 1 4 Pei-Phen Liu . . . 5365 1 5 Shu-Wan Chen . . . 5365 1 6 W.-Y. Jeng . . . 5365 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domain' 5365 1 'myocyte nuclear factor' 5365 1 'resonance assignment' 5365 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_mnf _Assembly.Sf_category assembly _Assembly.Sf_framecode system_mnf _Assembly.Entry_ID 5365 _Assembly.ID 1 _Assembly.Name 'myocyte nuclear 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 5365 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 'myocyte nuclear factor' 1 $mnf . . . native . . . . . 5365 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'myocyte nuclear factor' system 5365 1 mnf abbreviation 5365 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcriptional factor' 5365 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mnf _Entity.Sf_category entity _Entity.Sf_framecode mnf _Entity.Entry_ID 5365 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'myocyte nuclear 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 ; ASMTGGQQMGRGSESKPPYS YAQLIVQAISSAQDRQLTLS GIYAHITKHYPYYRTADKGW QNSIRHNLSLNRYFIKVPRS QEEPGKGSFWRIDPASEAKL VEQAFRKRRQRGVS ; _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 114 _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 13012 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Recombinant protein contained 13 extra residues ASMTGGQQMGRGS at the N-terminus.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2A3S . "Solution Structure And Dynamics Of Dna-Binding Domain Of Myocyte Nuclear Factor" . . . . . 88.60 101 100.00 100.00 2.97e-67 . . . . 5365 1 2 no PDB 2D2W . "Solution Structure And Dynamics Of The Dna-Binding Domain Of Myocyte Nuclear Factor" . . . . . 88.60 101 100.00 100.00 2.97e-67 . . . . 5365 1 3 no DBJ BAE25880 . "unnamed protein product [Mus musculus]" . . . . . 88.60 616 100.00 100.00 2.17e-64 . . . . 5365 1 4 no DBJ BAE27871 . "unnamed protein product [Mus musculus]" . . . . . 88.60 719 100.00 100.00 2.36e-64 . . . . 5365 1 5 no DBJ BAG53651 . "unnamed protein product [Homo sapiens]" . . . . . 88.60 488 99.01 100.00 1.36e-65 . . . . 5365 1 6 no DBJ BAG63595 . "unnamed protein product [Homo sapiens]" . . . . . 88.60 583 98.02 99.01 5.20e-63 . . . . 5365 1 7 no GB AAA37529 . "myocyte nuclear factor [Mus musculus]" . . . . . 88.60 617 100.00 100.00 9.51e-64 . . . . 5365 1 8 no GB AAB69641 . "myocyte nuclear factor-beta [Mus musculus]" . . . . . 88.60 409 100.00 100.00 6.69e-65 . . . . 5365 1 9 no GB AAF97842 . "winged helix protein CWH-5, partial [Gallus gallus]" . . . . . 88.60 108 99.01 99.01 5.28e-66 . . . . 5365 1 10 no GB AAH54664 . "Forkhead box K1 [Danio rerio]" . . . . . 88.60 639 98.02 100.00 3.84e-63 . . . . 5365 1 11 no GB AAI56274 . "Forkhead box K1, partial [synthetic construct]" . . . . . 88.60 719 100.00 100.00 2.36e-64 . . . . 5365 1 12 no REF NP_001032242 . "forkhead box protein K1 [Homo sapiens]" . . . . . 88.60 733 99.01 100.00 6.54e-64 . . . . 5365 1 13 no REF NP_001032296 . "forkhead box protein K1 [Rattus norvegicus]" . . . . . 88.60 719 100.00 100.00 2.24e-64 . . . . 5365 1 14 no REF NP_951031 . "forkhead box protein K1 [Mus musculus]" . . . . . 88.60 719 100.00 100.00 2.36e-64 . . . . 5365 1 15 no REF NP_956196 . "forkhead box protein K1 [Danio rerio]" . . . . . 88.60 639 98.02 100.00 3.84e-63 . . . . 5365 1 16 no REF XP_002723111 . "PREDICTED: forkhead box protein K1 [Oryctolagus cuniculus]" . . . . . 88.60 616 100.00 100.00 2.00e-64 . . . . 5365 1 17 no SP P42128 . "RecName: Full=Forkhead box protein K1; AltName: Full=Myocyte nuclear factor; Short=MNF [Mus musculus]" . . . . . 88.60 719 100.00 100.00 2.36e-64 . . . . 5365 1 18 no SP P85037 . "RecName: Full=Forkhead box protein K1; AltName: Full=Myocyte nuclear factor; Short=MNF [Homo sapiens]" . . . . . 88.60 733 99.01 100.00 6.54e-64 . . . . 5365 1 19 no TPG DAA15159 . "TPA: hypothetical protein LOC512522 [Bos taurus]" . . . . . 88.60 1861 100.00 100.00 1.58e-61 . . . . 5365 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'myocyte nuclear factor' common 5365 1 mnf abbreviation 5365 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 -12 ALA . 5365 1 2 -11 SER . 5365 1 3 -10 MET . 5365 1 4 -9 THR . 5365 1 5 -8 GLY . 5365 1 6 -7 GLY . 5365 1 7 -6 GLN . 5365 1 8 -5 GLN . 5365 1 9 -4 MET . 5365 1 10 -3 GLY . 5365 1 11 -2 ARG . 5365 1 12 -1 GLY . 5365 1 13 0 SER . 5365 1 14 1 GLU . 5365 1 15 2 SER . 5365 1 16 3 LYS . 5365 1 17 4 PRO . 5365 1 18 5 PRO . 5365 1 19 6 TYR . 5365 1 20 7 SER . 5365 1 21 8 TYR . 5365 1 22 9 ALA . 5365 1 23 10 GLN . 5365 1 24 11 LEU . 5365 1 25 12 ILE . 5365 1 26 13 VAL . 5365 1 27 14 GLN . 5365 1 28 15 ALA . 5365 1 29 16 ILE . 5365 1 30 17 SER . 5365 1 31 18 SER . 5365 1 32 19 ALA . 5365 1 33 20 GLN . 5365 1 34 21 ASP . 5365 1 35 22 ARG . 5365 1 36 23 GLN . 5365 1 37 24 LEU . 5365 1 38 25 THR . 5365 1 39 26 LEU . 5365 1 40 27 SER . 5365 1 41 28 GLY . 5365 1 42 29 ILE . 5365 1 43 30 TYR . 5365 1 44 31 ALA . 5365 1 45 32 HIS . 5365 1 46 33 ILE . 5365 1 47 34 THR . 5365 1 48 35 LYS . 5365 1 49 36 HIS . 5365 1 50 37 TYR . 5365 1 51 38 PRO . 5365 1 52 39 TYR . 5365 1 53 40 TYR . 5365 1 54 41 ARG . 5365 1 55 42 THR . 5365 1 56 43 ALA . 5365 1 57 44 ASP . 5365 1 58 45 LYS . 5365 1 59 46 GLY . 5365 1 60 47 TRP . 5365 1 61 48 GLN . 5365 1 62 49 ASN . 5365 1 63 50 SER . 5365 1 64 51 ILE . 5365 1 65 52 ARG . 5365 1 66 53 HIS . 5365 1 67 54 ASN . 5365 1 68 55 LEU . 5365 1 69 56 SER . 5365 1 70 57 LEU . 5365 1 71 58 ASN . 5365 1 72 59 ARG . 5365 1 73 60 TYR . 5365 1 74 61 PHE . 5365 1 75 62 ILE . 5365 1 76 63 LYS . 5365 1 77 64 VAL . 5365 1 78 65 PRO . 5365 1 79 66 ARG . 5365 1 80 67 SER . 5365 1 81 68 GLN . 5365 1 82 69 GLU . 5365 1 83 70 GLU . 5365 1 84 71 PRO . 5365 1 85 72 GLY . 5365 1 86 73 LYS . 5365 1 87 74 GLY . 5365 1 88 75 SER . 5365 1 89 76 PHE . 5365 1 90 77 TRP . 5365 1 91 78 ARG . 5365 1 92 79 ILE . 5365 1 93 80 ASP . 5365 1 94 81 PRO . 5365 1 95 82 ALA . 5365 1 96 83 SER . 5365 1 97 84 GLU . 5365 1 98 85 ALA . 5365 1 99 86 LYS . 5365 1 100 87 LEU . 5365 1 101 88 VAL . 5365 1 102 89 GLU . 5365 1 103 90 GLN . 5365 1 104 91 ALA . 5365 1 105 92 PHE . 5365 1 106 93 ARG . 5365 1 107 94 LYS . 5365 1 108 95 ARG . 5365 1 109 96 ARG . 5365 1 110 97 GLN . 5365 1 111 98 ARG . 5365 1 112 99 GLY . 5365 1 113 100 VAL . 5365 1 114 101 SER . 5365 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 . ALA 1 1 5365 1 . SER 2 2 5365 1 . MET 3 3 5365 1 . THR 4 4 5365 1 . GLY 5 5 5365 1 . GLY 6 6 5365 1 . GLN 7 7 5365 1 . GLN 8 8 5365 1 . MET 9 9 5365 1 . GLY 10 10 5365 1 . ARG 11 11 5365 1 . GLY 12 12 5365 1 . SER 13 13 5365 1 . GLU 14 14 5365 1 . SER 15 15 5365 1 . LYS 16 16 5365 1 . PRO 17 17 5365 1 . PRO 18 18 5365 1 . TYR 19 19 5365 1 . SER 20 20 5365 1 . TYR 21 21 5365 1 . ALA 22 22 5365 1 . GLN 23 23 5365 1 . LEU 24 24 5365 1 . ILE 25 25 5365 1 . VAL 26 26 5365 1 . GLN 27 27 5365 1 . ALA 28 28 5365 1 . ILE 29 29 5365 1 . SER 30 30 5365 1 . SER 31 31 5365 1 . ALA 32 32 5365 1 . GLN 33 33 5365 1 . ASP 34 34 5365 1 . ARG 35 35 5365 1 . GLN 36 36 5365 1 . LEU 37 37 5365 1 . THR 38 38 5365 1 . LEU 39 39 5365 1 . SER 40 40 5365 1 . GLY 41 41 5365 1 . ILE 42 42 5365 1 . TYR 43 43 5365 1 . ALA 44 44 5365 1 . HIS 45 45 5365 1 . ILE 46 46 5365 1 . THR 47 47 5365 1 . LYS 48 48 5365 1 . HIS 49 49 5365 1 . TYR 50 50 5365 1 . PRO 51 51 5365 1 . TYR 52 52 5365 1 . TYR 53 53 5365 1 . ARG 54 54 5365 1 . THR 55 55 5365 1 . ALA 56 56 5365 1 . ASP 57 57 5365 1 . LYS 58 58 5365 1 . GLY 59 59 5365 1 . TRP 60 60 5365 1 . GLN 61 61 5365 1 . ASN 62 62 5365 1 . SER 63 63 5365 1 . ILE 64 64 5365 1 . ARG 65 65 5365 1 . HIS 66 66 5365 1 . ASN 67 67 5365 1 . LEU 68 68 5365 1 . SER 69 69 5365 1 . LEU 70 70 5365 1 . ASN 71 71 5365 1 . ARG 72 72 5365 1 . TYR 73 73 5365 1 . PHE 74 74 5365 1 . ILE 75 75 5365 1 . LYS 76 76 5365 1 . VAL 77 77 5365 1 . PRO 78 78 5365 1 . ARG 79 79 5365 1 . SER 80 80 5365 1 . GLN 81 81 5365 1 . GLU 82 82 5365 1 . GLU 83 83 5365 1 . PRO 84 84 5365 1 . GLY 85 85 5365 1 . LYS 86 86 5365 1 . GLY 87 87 5365 1 . SER 88 88 5365 1 . PHE 89 89 5365 1 . TRP 90 90 5365 1 . ARG 91 91 5365 1 . ILE 92 92 5365 1 . ASP 93 93 5365 1 . PRO 94 94 5365 1 . ALA 95 95 5365 1 . SER 96 96 5365 1 . GLU 97 97 5365 1 . ALA 98 98 5365 1 . LYS 99 99 5365 1 . LEU 100 100 5365 1 . VAL 101 101 5365 1 . GLU 102 102 5365 1 . GLN 103 103 5365 1 . ALA 104 104 5365 1 . PHE 105 105 5365 1 . ARG 106 106 5365 1 . LYS 107 107 5365 1 . ARG 108 108 5365 1 . ARG 109 109 5365 1 . GLN 110 110 5365 1 . ARG 111 111 5365 1 . GLY 112 112 5365 1 . VAL 113 113 5365 1 . SER 114 114 5365 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 5365 _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 $mnf . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . muscle . . . . . . . nucleus . . . mnf . . . . 5365 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 5365 _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 $mnf . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . BL21 . . . . . . 5365 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5365 _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 'myocyte nuclear factor' '[U-15N; U-13C]' . . 1 $mnf . . 3 . . mM . . . . 5365 1 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5365 1 3 NaCl . . . . . . . 100 . . mM . . . . 5365 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5365 _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 'myocyte nuclear factor' [U-15N] . . 1 $mnf . . 3 . . mM . . . . 5365 2 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5365 2 3 NaCl . . . . . . . 100 . . mM . . . . 5365 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5365 _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 'myocyte nuclear factor' [15N]-Ala . . 1 $mnf . . 1 . . mM . . . . 5365 3 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5365 3 3 NaCl . . . . . . . 100 . . mM . . . . 5365 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5365 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'myocyte nuclear factor' . . . 1 $mnf . . 3 . . mM . . . . 5365 4 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 5365 4 3 NaCl . . . . . . . 100 . . mM . . . . 5365 4 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5365 _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 5365 1 temperature 300 0.1 K 5365 1 'ionic strength' 1.5 0.02 M 5365 1 stop_ save_ ############################ # Computer software used # ############################ save_aurelia _Software.Sf_category software _Software.Sf_framecode aurelia _Software.Entry_ID 5365 _Software.ID 1 _Software.Name aurelia _Software.Version 2.7.5 _Software.Details . 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 5365 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5365 _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 DRX . 600 . . . 5365 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 5365 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 6 CACB(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 7 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 8 HBHA(CBCA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 9 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 10 HCC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 11 HCCH-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 12 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 1 13 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5365 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 5365 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CACB(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 5365 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CBCA)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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHA(CBCACO)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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCC(CO)NH-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-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 5365 _NMR_spec_expt.ID 12 _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5365 _NMR_spec_expt.ID 13 _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_ #################### # 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 5365 _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 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 5365 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5365 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5365 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 5365 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5365 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 14 14 GLU H H 1 8.586 0.01 . 1 . . . . 1 . . . 5365 1 2 . 1 1 14 14 GLU HA H 1 4.358 0.01 . 1 . . . . 1 . . . 5365 1 3 . 1 1 14 14 GLU HB2 H 1 1.944 0.01 . 2 . . . . 1 . . . 5365 1 4 . 1 1 14 14 GLU HB3 H 1 2.120 0.01 . 2 . . . . 1 . . . 5365 1 5 . 1 1 14 14 GLU HG2 H 1 2.276 0.01 . 1 . . . . 1 . . . 5365 1 6 . 1 1 14 14 GLU CA C 13 54.378 0.1 . 1 . . . . 1 . . . 5365 1 7 . 1 1 14 14 GLU CB C 13 27.687 0.1 . 1 . . . . 1 . . . 5365 1 8 . 1 1 14 14 GLU N N 15 121.837 0.1 . 1 . . . . 1 . . . 5365 1 9 . 1 1 15 15 SER H H 1 8.142 0.01 . 1 . . . . 2 . . . 5365 1 10 . 1 1 15 15 SER HA H 1 4.377 0.01 . 1 . . . . 2 . . . 5365 1 11 . 1 1 15 15 SER HB2 H 1 3.728 0.01 . 1 . . . . 2 . . . 5365 1 12 . 1 1 15 15 SER HB3 H 1 3.728 0.01 . 1 . . . . 2 . . . 5365 1 13 . 1 1 15 15 SER CA C 13 55.313 0.1 . 1 . . . . 2 . . . 5365 1 14 . 1 1 15 15 SER CB C 13 62.019 0.1 . 1 . . . . 2 . . . 5365 1 15 . 1 1 15 15 SER N N 15 115.965 0.1 . 1 . . . . 2 . . . 5365 1 16 . 1 1 16 16 LYS H H 1 8.045 0.01 . 1 . . . . 3 . . . 5365 1 17 . 1 1 16 16 LYS HA H 1 2.687 0.01 . 1 . . . . 3 . . . 5365 1 18 . 1 1 16 16 LYS HB2 H 1 0.880 0.01 . 2 . . . . 3 . . . 5365 1 19 . 1 1 16 16 LYS HB3 H 1 1.222 0.01 . 2 . . . . 3 . . . 5365 1 20 . 1 1 16 16 LYS HG2 H 1 0.707 0.01 . 2 . . . . 3 . . . 5365 1 21 . 1 1 16 16 LYS HG3 H 1 1.061 0.01 . 2 . . . . 3 . . . 5365 1 22 . 1 1 16 16 LYS HD2 H 1 1.456 0.01 . 1 . . . . 3 . . . 5365 1 23 . 1 1 16 16 LYS HD3 H 1 1.456 0.01 . 1 . . . . 3 . . . 5365 1 24 . 1 1 16 16 LYS HE2 H 1 2.957 0.01 . 1 . . . . 3 . . . 5365 1 25 . 1 1 16 16 LYS HE3 H 1 2.957 0.01 . 1 . . . . 3 . . . 5365 1 26 . 1 1 16 16 LYS CA C 13 52.080 0.1 . 1 . . . . 3 . . . 5365 1 27 . 1 1 16 16 LYS CB C 13 30.303 0.1 . 1 . . . . 3 . . . 5365 1 28 . 1 1 16 16 LYS N N 15 125.824 0.1 . 1 . . . . 3 . . . 5365 1 29 . 1 1 17 17 PRO HG2 H 1 1.991 0.01 . 1 . . . . 4 . . . 5365 1 30 . 1 1 17 17 PRO HD2 H 1 2.958 0.01 . 2 . . . . 4 . . . 5365 1 31 . 1 1 17 17 PRO HD3 H 1 3.574 0.01 . 2 . . . . 4 . . . 5365 1 32 . 1 1 18 18 PRO HA H 1 4.424 0.01 . 1 . . . . 5 . . . 5365 1 33 . 1 1 18 18 PRO HB2 H 1 1.629 0.01 . 2 . . . . 5 . . . 5365 1 34 . 1 1 18 18 PRO HB3 H 1 2.040 0.01 . 2 . . . . 5 . . . 5365 1 35 . 1 1 18 18 PRO HG2 H 1 1.980 0.01 . 1 . . . . 5 . . . 5365 1 36 . 1 1 18 18 PRO HG3 H 1 1.980 0.01 . 1 . . . . 5 . . . 5365 1 37 . 1 1 18 18 PRO HD2 H 1 3.508 0.01 . 1 . . . . 5 . . . 5365 1 38 . 1 1 18 18 PRO CA C 13 60.561 0.1 . 1 . . . . 5 . . . 5365 1 39 . 1 1 18 18 PRO CB C 13 26.551 0.1 . 1 . . . . 5 . . . 5365 1 40 . 1 1 19 19 TYR H H 1 7.150 0.01 . 1 . . . . 6 . . . 5365 1 41 . 1 1 19 19 TYR HA H 1 5.018 0.01 . 1 . . . . 6 . . . 5365 1 42 . 1 1 19 19 TYR HB2 H 1 1.907 0.01 . 2 . . . . 6 . . . 5365 1 43 . 1 1 19 19 TYR HB3 H 1 2.929 0.01 . 2 . . . . 6 . . . 5365 1 44 . 1 1 19 19 TYR HD1 H 1 6.686 0.01 . 1 . . . . 6 . . . 5365 1 45 . 1 1 19 19 TYR HD2 H 1 6.686 0.01 . 1 . . . . 6 . . . 5365 1 46 . 1 1 19 19 TYR HE1 H 1 6.764 0.01 . 1 . . . . 6 . . . 5365 1 47 . 1 1 19 19 TYR HE2 H 1 6.764 0.01 . 1 . . . . 6 . . . 5365 1 48 . 1 1 19 19 TYR CA C 13 53.276 0.1 . 1 . . . . 6 . . . 5365 1 49 . 1 1 19 19 TYR CB C 13 39.953 0.1 . 1 . . . . 6 . . . 5365 1 50 . 1 1 19 19 TYR N N 15 116.503 0.1 . 1 . . . . 6 . . . 5365 1 51 . 1 1 20 20 SER H H 1 9.778 0.01 . 1 . . . . 7 . . . 5365 1 52 . 1 1 20 20 SER HA H 1 4.370 0.01 . 1 . . . . 7 . . . 5365 1 53 . 1 1 20 20 SER HB2 H 1 3.976 0.01 . 2 . . . . 7 . . . 5365 1 54 . 1 1 20 20 SER HB3 H 1 4.456 0.01 . 2 . . . . 7 . . . 5365 1 55 . 1 1 20 20 SER CA C 13 54.140 0.1 . 1 . . . . 7 . . . 5365 1 56 . 1 1 20 20 SER CB C 13 63.214 0.1 . 1 . . . . 7 . . . 5365 1 57 . 1 1 20 20 SER N N 15 120.239 0.1 . 1 . . . . 7 . . . 5365 1 58 . 1 1 21 21 TYR H H 1 8.384 0.01 . 1 . . . . 8 . . . 5365 1 59 . 1 1 21 21 TYR HA H 1 4.223 0.01 . 1 . . . . 8 . . . 5365 1 60 . 1 1 21 21 TYR HB2 H 1 2.806 0.01 . 2 . . . . 8 . . . 5365 1 61 . 1 1 21 21 TYR HB3 H 1 2.870 0.01 . 2 . . . . 8 . . . 5365 1 62 . 1 1 21 21 TYR HD1 H 1 7.056 0.01 . 1 . . . . 8 . . . 5365 1 63 . 1 1 21 21 TYR HD2 H 1 7.056 0.01 . 1 . . . . 8 . . . 5365 1 64 . 1 1 21 21 TYR HE1 H 1 7.202 0.01 . 1 . . . . 8 . . . 5365 1 65 . 1 1 21 21 TYR HE2 H 1 7.202 0.01 . 1 . . . . 8 . . . 5365 1 66 . 1 1 21 21 TYR CA C 13 59.889 0.1 . 1 . . . . 8 . . . 5365 1 67 . 1 1 21 21 TYR CB C 13 35.027 0.1 . 1 . . . . 8 . . . 5365 1 68 . 1 1 21 21 TYR N N 15 118.215 0.1 . 1 . . . . 8 . . . 5365 1 69 . 1 1 22 22 ALA H H 1 8.578 0.01 . 1 . . . . 9 . . . 5365 1 70 . 1 1 22 22 ALA HA H 1 4.132 0.01 . 1 . . . . 9 . . . 5365 1 71 . 1 1 22 22 ALA HB1 H 1 1.588 0.01 . 1 . . . . 9 . . . 5365 1 72 . 1 1 22 22 ALA HB2 H 1 1.588 0.01 . 1 . . . . 9 . . . 5365 1 73 . 1 1 22 22 ALA HB3 H 1 1.588 0.01 . 1 . . . . 9 . . . 5365 1 74 . 1 1 22 22 ALA CA C 13 54.042 0.1 . 1 . . . . 9 . . . 5365 1 75 . 1 1 22 22 ALA CB C 13 15.438 0.1 . 1 . . . . 9 . . . 5365 1 76 . 1 1 22 22 ALA N N 15 119.203 0.1 . 1 . . . . 9 . . . 5365 1 77 . 1 1 23 23 GLN H H 1 7.817 0.01 . 1 . . . . 10 . . . 5365 1 78 . 1 1 23 23 GLN HA H 1 3.842 0.01 . 1 . . . . 10 . . . 5365 1 79 . 1 1 23 23 GLN HB2 H 1 2.168 0.01 . 2 . . . . 10 . . . 5365 1 80 . 1 1 23 23 GLN HB3 H 1 2.476 0.01 . 2 . . . . 10 . . . 5365 1 81 . 1 1 23 23 GLN HG2 H 1 2.170 0.01 . 2 . . . . 10 . . . 5365 1 82 . 1 1 23 23 GLN HG3 H 1 2.261 0.01 . 2 . . . . 10 . . . 5365 1 83 . 1 1 23 23 GLN HE21 H 1 6.653 0.01 . 2 . . . . 10 . . . 5365 1 84 . 1 1 23 23 GLN HE22 H 1 7.714 0.01 . 2 . . . . 10 . . . 5365 1 85 . 1 1 23 23 GLN CA C 13 57.504 0.1 . 1 . . . . 10 . . . 5365 1 86 . 1 1 23 23 GLN CB C 13 27.827 0.1 . 1 . . . . 10 . . . 5365 1 87 . 1 1 23 23 GLN N N 15 116.166 0.1 . 1 . . . . 10 . . . 5365 1 88 . 1 1 24 24 LEU H H 1 8.149 0.01 . 1 . . . . 11 . . . 5365 1 89 . 1 1 24 24 LEU HA H 1 3.453 0.01 . 1 . . . . 11 . . . 5365 1 90 . 1 1 24 24 LEU HB2 H 1 1.133 0.01 . 2 . . . . 11 . . . 5365 1 91 . 1 1 24 24 LEU HB3 H 1 2.085 0.01 . 2 . . . . 11 . . . 5365 1 92 . 1 1 24 24 LEU HG H 1 1.602 0.01 . 1 . . . . 11 . . . 5365 1 93 . 1 1 24 24 LEU HD11 H 1 0.346 0.01 . 2 . . . . 11 . . . 5365 1 94 . 1 1 24 24 LEU HD12 H 1 0.346 0.01 . 2 . . . . 11 . . . 5365 1 95 . 1 1 24 24 LEU HD13 H 1 0.346 0.01 . 2 . . . . 11 . . . 5365 1 96 . 1 1 24 24 LEU HD21 H 1 0.582 0.01 . 2 . . . . 11 . . . 5365 1 97 . 1 1 24 24 LEU HD22 H 1 0.582 0.01 . 2 . . . . 11 . . . 5365 1 98 . 1 1 24 24 LEU HD23 H 1 0.582 0.01 . 2 . . . . 11 . . . 5365 1 99 . 1 1 24 24 LEU CA C 13 55.775 0.1 . 1 . . . . 11 . . . 5365 1 100 . 1 1 24 24 LEU CB C 13 39.303 0.1 . 1 . . . . 11 . . . 5365 1 101 . 1 1 24 24 LEU N N 15 118.038 0.1 . 1 . . . . 11 . . . 5365 1 102 . 1 1 25 25 ILE H H 1 8.046 0.01 . 1 . . . . 12 . . . 5365 1 103 . 1 1 25 25 ILE HA H 1 3.239 0.01 . 1 . . . . 12 . . . 5365 1 104 . 1 1 25 25 ILE HB H 1 1.740 0.01 . 1 . . . . 12 . . . 5365 1 105 . 1 1 25 25 ILE HG12 H 1 0.516 0.01 . 2 . . . . 12 . . . 5365 1 106 . 1 1 25 25 ILE HG13 H 1 1.161 0.01 . 2 . . . . 12 . . . 5365 1 107 . 1 1 25 25 ILE HG21 H 1 0.025 0.01 . 1 . . . . 12 . . . 5365 1 108 . 1 1 25 25 ILE HG22 H 1 0.025 0.01 . 1 . . . . 12 . . . 5365 1 109 . 1 1 25 25 ILE HG23 H 1 0.025 0.01 . 1 . . . . 12 . . . 5365 1 110 . 1 1 25 25 ILE HD11 H 1 -0.592 0.01 . 1 . . . . 12 . . . 5365 1 111 . 1 1 25 25 ILE HD12 H 1 -0.592 0.01 . 1 . . . . 12 . . . 5365 1 112 . 1 1 25 25 ILE HD13 H 1 -0.592 0.01 . 1 . . . . 12 . . . 5365 1 113 . 1 1 25 25 ILE CA C 13 63.720 0.1 . 1 . . . . 12 . . . 5365 1 114 . 1 1 25 25 ILE CB C 13 35.283 0.1 . 1 . . . . 12 . . . 5365 1 115 . 1 1 25 25 ILE N N 15 118.423 0.1 . 1 . . . . 12 . . . 5365 1 116 . 1 1 26 26 VAL H H 1 8.164 0.01 . 1 . . . . 13 . . . 5365 1 117 . 1 1 26 26 VAL HA H 1 3.438 0.01 . 1 . . . . 13 . . . 5365 1 118 . 1 1 26 26 VAL HB H 1 2.143 0.01 . 1 . . . . 13 . . . 5365 1 119 . 1 1 26 26 VAL HG11 H 1 0.719 0.01 . 2 . . . . 13 . . . 5365 1 120 . 1 1 26 26 VAL HG12 H 1 0.719 0.01 . 2 . . . . 13 . . . 5365 1 121 . 1 1 26 26 VAL HG13 H 1 0.719 0.01 . 2 . . . . 13 . . . 5365 1 122 . 1 1 26 26 VAL HG21 H 1 1.215 0.01 . 2 . . . . 13 . . . 5365 1 123 . 1 1 26 26 VAL HG22 H 1 1.215 0.01 . 2 . . . . 13 . . . 5365 1 124 . 1 1 26 26 VAL HG23 H 1 1.215 0.01 . 2 . . . . 13 . . . 5365 1 125 . 1 1 26 26 VAL CA C 13 56.819 0.1 . 1 . . . . 13 . . . 5365 1 126 . 1 1 26 26 VAL CB C 13 28.800 0.1 . 1 . . . . 13 . . . 5365 1 127 . 1 1 26 26 VAL N N 15 119.156 0.1 . 1 . . . . 13 . . . 5365 1 128 . 1 1 27 27 GLN H H 1 8.739 0.01 . 1 . . . . 14 . . . 5365 1 129 . 1 1 27 27 GLN HA H 1 3.298 0.01 . 1 . . . . 14 . . . 5365 1 130 . 1 1 27 27 GLN HB2 H 1 1.780 0.01 . 2 . . . . 14 . . . 5365 1 131 . 1 1 27 27 GLN HB3 H 1 1.909 0.01 . 2 . . . . 14 . . . 5365 1 132 . 1 1 27 27 GLN HG2 H 1 2.111 0.01 . 1 . . . . 14 . . . 5365 1 133 . 1 1 27 27 GLN HE21 H 1 3.913 0.01 . 2 . . . . 14 . . . 5365 1 134 . 1 1 27 27 GLN HE22 H 1 6.817 0.01 . 2 . . . . 14 . . . 5365 1 135 . 1 1 27 27 GLN CA C 13 56.819 0.1 . 1 . . . . 14 . . . 5365 1 136 . 1 1 27 27 GLN CB C 13 25.271 0.1 . 1 . . . . 14 . . . 5365 1 137 . 1 1 27 27 GLN N N 15 120.051 0.1 . 1 . . . . 14 . . . 5365 1 138 . 1 1 28 28 ALA H H 1 7.497 0.01 . 1 . . . . 15 . . . 5365 1 139 . 1 1 28 28 ALA HA H 1 2.110 0.01 . 1 . . . . 15 . . . 5365 1 140 . 1 1 28 28 ALA HB1 H 1 1.209 0.01 . 1 . . . . 15 . . . 5365 1 141 . 1 1 28 28 ALA HB2 H 1 1.209 0.01 . 1 . . . . 15 . . . 5365 1 142 . 1 1 28 28 ALA HB3 H 1 1.209 0.01 . 1 . . . . 15 . . . 5365 1 143 . 1 1 28 28 ALA CA C 13 52.353 0.1 . 1 . . . . 15 . . . 5365 1 144 . 1 1 28 28 ALA CB C 13 17.343 0.1 . 1 . . . . 15 . . . 5365 1 145 . 1 1 28 28 ALA N N 15 119.736 0.1 . 1 . . . . 15 . . . 5365 1 146 . 1 1 29 29 ILE H H 1 8.603 0.01 . 1 . . . . 16 . . . 5365 1 147 . 1 1 29 29 ILE HA H 1 3.182 0.01 . 1 . . . . 16 . . . 5365 1 148 . 1 1 29 29 ILE HB H 1 1.479 0.01 . 1 . . . . 16 . . . 5365 1 149 . 1 1 29 29 ILE HG12 H 1 0.571 0.01 . 2 . . . . 16 . . . 5365 1 150 . 1 1 29 29 ILE HG13 H 1 0.680 0.01 . 2 . . . . 16 . . . 5365 1 151 . 1 1 29 29 ILE HG21 H 1 0.839 0.01 . 1 . . . . 16 . . . 5365 1 152 . 1 1 29 29 ILE HG22 H 1 0.839 0.01 . 1 . . . . 16 . . . 5365 1 153 . 1 1 29 29 ILE HG23 H 1 0.839 0.01 . 1 . . . . 16 . . . 5365 1 154 . 1 1 29 29 ILE CA C 13 64.285 0.1 . 1 . . . . 16 . . . 5365 1 155 . 1 1 29 29 ILE N N 15 117.508 0.1 . 1 . . . . 16 . . . 5365 1 156 . 1 1 30 30 SER H H 1 8.300 0.01 . 1 . . . . 17 . . . 5365 1 157 . 1 1 30 30 SER HA H 1 4.071 0.01 . 1 . . . . 17 . . . 5365 1 158 . 1 1 30 30 SER HB2 H 1 3.770 0.01 . 2 . . . . 17 . . . 5365 1 159 . 1 1 30 30 SER HB3 H 1 3.931 0.01 . 2 . . . . 17 . . . 5365 1 160 . 1 1 30 30 SER CA C 13 58.899 0.1 . 1 . . . . 17 . . . 5365 1 161 . 1 1 30 30 SER CB C 13 61.558 0.1 . 1 . . . . 17 . . . 5365 1 162 . 1 1 30 30 SER N N 15 109.756 0.1 . 1 . . . . 17 . . . 5365 1 163 . 1 1 31 31 SER H H 1 7.035 0.01 . 1 . . . . 18 . . . 5365 1 164 . 1 1 31 31 SER HA H 1 4.519 0.01 . 1 . . . . 18 . . . 5365 1 165 . 1 1 31 31 SER HB2 H 1 3.918 0.01 . 2 . . . . 18 . . . 5365 1 166 . 1 1 31 31 SER HB3 H 1 4.033 0.01 . 2 . . . . 18 . . . 5365 1 167 . 1 1 31 31 SER CA C 13 56.751 0.1 . 1 . . . . 18 . . . 5365 1 168 . 1 1 31 31 SER CB C 13 61.853 0.1 . 1 . . . . 18 . . . 5365 1 169 . 1 1 31 31 SER N N 15 114.421 0.1 . 1 . . . . 18 . . . 5365 1 170 . 1 1 32 32 ALA H H 1 7.405 0.01 . 1 . . . . 19 . . . 5365 1 171 . 1 1 32 32 ALA HA H 1 4.447 0.01 . 1 . . . . 19 . . . 5365 1 172 . 1 1 32 32 ALA HB1 H 1 1.560 0.01 . 1 . . . . 19 . . . 5365 1 173 . 1 1 32 32 ALA HB2 H 1 1.560 0.01 . 1 . . . . 19 . . . 5365 1 174 . 1 1 32 32 ALA HB3 H 1 1.560 0.01 . 1 . . . . 19 . . . 5365 1 175 . 1 1 32 32 ALA CA C 13 49.571 0.1 . 1 . . . . 19 . . . 5365 1 176 . 1 1 32 32 ALA CB C 13 17.650 0.1 . 1 . . . . 19 . . . 5365 1 177 . 1 1 32 32 ALA N N 15 125.510 0.1 . 1 . . . . 19 . . . 5365 1 178 . 1 1 33 33 GLN H H 1 9.158 0.1 . 1 . . . . 20 . . . 5365 1 179 . 1 1 33 33 GLN HA H 1 4.026 0.01 . 1 . . . . 20 . . . 5365 1 180 . 1 1 33 33 GLN HB2 H 1 2.012 0.01 . 2 . . . . 20 . . . 5365 1 181 . 1 1 33 33 GLN HB3 H 1 2.184 0.01 . 2 . . . . 20 . . . 5365 1 182 . 1 1 33 33 GLN HG2 H 1 2.112 0.01 . 2 . . . . 20 . . . 5365 1 183 . 1 1 33 33 GLN HG3 H 1 2.418 0.01 . 2 . . . . 20 . . . 5365 1 184 . 1 1 33 33 GLN HE21 H 1 6.878 0.01 . 2 . . . . 20 . . . 5365 1 185 . 1 1 33 33 GLN HE22 H 1 7.643 0.01 . 2 . . . . 20 . . . 5365 1 186 . 1 1 34 34 ASP H H 1 8.792 0.01 . 1 . . . . 21 . . . 5365 1 187 . 1 1 34 34 ASP HA H 1 4.558 0.01 . 1 . . . . 21 . . . 5365 1 188 . 1 1 34 34 ASP HB2 H 1 2.685 0.01 . 1 . . . . 21 . . . 5365 1 189 . 1 1 34 34 ASP HB3 H 1 2.685 0.01 . 1 . . . . 21 . . . 5365 1 190 . 1 1 34 34 ASP CA C 13 52.115 0.1 . 1 . . . . 21 . . . 5365 1 191 . 1 1 34 34 ASP CB C 13 37.411 0.1 . 1 . . . . 21 . . . 5365 1 192 . 1 1 34 34 ASP N N 15 116.110 0.1 . 1 . . . . 21 . . . 5365 1 193 . 1 1 35 35 ARG H H 1 8.145 0.01 . 1 . . . . 22 . . . 5365 1 194 . 1 1 35 35 ARG HA H 1 4.190 0.01 . 1 . . . . 22 . . . 5365 1 195 . 1 1 35 35 ARG HB2 H 1 1.619 0.01 . 1 . . . . 22 . . . 5365 1 196 . 1 1 35 35 ARG HB3 H 1 1.619 0.01 . 1 . . . . 22 . . . 5365 1 197 . 1 1 35 35 ARG HG2 H 1 1.597 0.01 . 2 . . . . 22 . . . 5365 1 198 . 1 1 35 35 ARG HG3 H 1 1.936 0.01 . 2 . . . . 22 . . . 5365 1 199 . 1 1 35 35 ARG HD2 H 1 3.181 0.01 . 1 . . . . 22 . . . 5365 1 200 . 1 1 35 35 ARG HD3 H 1 3.181 0.01 . 1 . . . . 22 . . . 5365 1 201 . 1 1 35 35 ARG HE H 1 7.515 0.01 . 1 . . . . 22 . . . 5365 1 202 . 1 1 35 35 ARG CA C 13 54.310 0.1 . 1 . . . . 22 . . . 5365 1 203 . 1 1 35 35 ARG CB C 13 24.942 0.1 . 1 . . . . 22 . . . 5365 1 204 . 1 1 35 35 ARG N N 15 113.204 0.1 . 1 . . . . 22 . . . 5365 1 205 . 1 1 36 36 GLN H H 1 6.899 0.01 . 1 . . . . 23 . . . 5365 1 206 . 1 1 36 36 GLN HA H 1 5.391 0.01 . 1 . . . . 23 . . . 5365 1 207 . 1 1 36 36 GLN HB2 H 1 1.501 0.01 . 2 . . . . 23 . . . 5365 1 208 . 1 1 36 36 GLN HB3 H 1 2.168 0.01 . 2 . . . . 23 . . . 5365 1 209 . 1 1 36 36 GLN HG2 H 1 1.623 0.01 . 2 . . . . 23 . . . 5365 1 210 . 1 1 36 36 GLN HG3 H 1 1.990 0.01 . 2 . . . . 23 . . . 5365 1 211 . 1 1 36 36 GLN HE21 H 1 6.471 0.01 . 2 . . . . 23 . . . 5365 1 212 . 1 1 36 36 GLN HE22 H 1 6.110 0.01 . 2 . . . . 23 . . . 5365 1 213 . 1 1 36 36 GLN CA C 13 51.577 0.1 . 1 . . . . 23 . . . 5365 1 214 . 1 1 36 36 GLN CB C 13 28.589 0.1 . 1 . . . . 23 . . . 5365 1 215 . 1 1 36 36 GLN N N 15 108.286 0.1 . 1 . . . . 23 . . . 5365 1 216 . 1 1 37 37 LEU H H 1 8.728 0.01 . 1 . . . . 24 . . . 5365 1 217 . 1 1 37 37 LEU HA H 1 5.054 0.01 . 1 . . . . 24 . . . 5365 1 218 . 1 1 37 37 LEU HB2 H 1 1.387 0.01 . 2 . . . . 24 . . . 5365 1 219 . 1 1 37 37 LEU HB3 H 1 1.875 0.01 . 2 . . . . 24 . . . 5365 1 220 . 1 1 37 37 LEU HG H 1 1.046 0.01 . 1 . . . . 24 . . . 5365 1 221 . 1 1 37 37 LEU HD11 H 1 0.707 0.01 . 1 . . . . 24 . . . 5365 1 222 . 1 1 37 37 LEU HD12 H 1 0.707 0.01 . 1 . . . . 24 . . . 5365 1 223 . 1 1 37 37 LEU HD13 H 1 0.707 0.01 . 1 . . . . 24 . . . 5365 1 224 . 1 1 37 37 LEU CA C 13 51.902 0.1 . 1 . . . . 24 . . . 5365 1 225 . 1 1 37 37 LEU CB C 13 48.798 0.1 . 1 . . . . 24 . . . 5365 1 226 . 1 1 37 37 LEU N N 15 120.046 0.1 . 1 . . . . 24 . . . 5365 1 227 . 1 1 38 38 THR H H 1 8.351 0.01 . 1 . . . . 25 . . . 5365 1 228 . 1 1 38 38 THR HA H 1 4.939 0.01 . 1 . . . . 25 . . . 5365 1 229 . 1 1 38 38 THR HB H 1 4.567 0.01 . 1 . . . . 25 . . . 5365 1 230 . 1 1 38 38 THR HG21 H 1 0.699 0.01 . 1 . . . . 25 . . . 5365 1 231 . 1 1 38 38 THR HG22 H 1 0.699 0.01 . 1 . . . . 25 . . . 5365 1 232 . 1 1 38 38 THR HG23 H 1 0.699 0.01 . 1 . . . . 25 . . . 5365 1 233 . 1 1 38 38 THR CA C 13 57.965 0.1 . 1 . . . . 25 . . . 5365 1 234 . 1 1 38 38 THR CB C 13 69.182 0.1 . 1 . . . . 25 . . . 5365 1 235 . 1 1 38 38 THR N N 15 111.738 0.1 . 1 . . . . 25 . . . 5365 1 236 . 1 1 39 39 LEU H H 1 9.366 0.01 . 1 . . . . 26 . . . 5365 1 237 . 1 1 39 39 LEU HA H 1 3.607 0.01 . 1 . . . . 26 . . . 5365 1 238 . 1 1 39 39 LEU HB2 H 1 1.414 0.01 . 2 . . . . 26 . . . 5365 1 239 . 1 1 39 39 LEU HB3 H 1 1.603 0.01 . 2 . . . . 26 . . . 5365 1 240 . 1 1 39 39 LEU HG H 1 0.719 0.01 . 1 . . . . 26 . . . 5365 1 241 . 1 1 39 39 LEU HD11 H 1 0.417 0.01 . 1 . . . . 26 . . . 5365 1 242 . 1 1 39 39 LEU HD12 H 1 0.417 0.01 . 1 . . . . 26 . . . 5365 1 243 . 1 1 39 39 LEU HD13 H 1 0.417 0.01 . 1 . . . . 26 . . . 5365 1 244 . 1 1 39 39 LEU CA C 13 56.216 0.1 . 1 . . . . 26 . . . 5365 1 245 . 1 1 39 39 LEU CB C 13 39.248 0.1 . 1 . . . . 26 . . . 5365 1 246 . 1 1 39 39 LEU N N 15 121.992 0.1 . 1 . . . . 26 . . . 5365 1 247 . 1 1 40 40 SER H H 1 8.243 0.01 . 1 . . . . 27 . . . 5365 1 248 . 1 1 40 40 SER HA H 1 4.022 0.01 . 1 . . . . 27 . . . 5365 1 249 . 1 1 40 40 SER HB2 H 1 3.844 0.01 . 1 . . . . 27 . . . 5365 1 250 . 1 1 40 40 SER HB3 H 1 3.844 0.01 . 1 . . . . 27 . . . 5365 1 251 . 1 1 40 40 SER CA C 13 59.761 0.1 . 1 . . . . 27 . . . 5365 1 252 . 1 1 40 40 SER N N 15 110.527 0.1 . 1 . . . . 27 . . . 5365 1 253 . 1 1 41 41 GLY H H 1 8.061 0.01 . 1 . . . . 28 . . . 5365 1 254 . 1 1 41 41 GLY HA2 H 1 3.939 0.01 . 1 . . . . 28 . . . 5365 1 255 . 1 1 41 41 GLY HA3 H 1 3.939 0.01 . 1 . . . . 28 . . . 5365 1 256 . 1 1 41 41 GLY CA C 13 44.872 0.1 . 1 . . . . 28 . . . 5365 1 257 . 1 1 41 41 GLY N N 15 111.798 0.1 . 1 . . . . 28 . . . 5365 1 258 . 1 1 42 42 ILE H H 1 8.384 0.01 . 1 . . . . 29 . . . 5365 1 259 . 1 1 42 42 ILE HA H 1 3.535 0.01 . 1 . . . . 29 . . . 5365 1 260 . 1 1 42 42 ILE HB H 1 1.909 0.01 . 1 . . . . 29 . . . 5365 1 261 . 1 1 42 42 ILE HG12 H 1 1.383 0.01 . 2 . . . . 29 . . . 5365 1 262 . 1 1 42 42 ILE HG13 H 1 1.602 0.01 . 2 . . . . 29 . . . 5365 1 263 . 1 1 42 42 ILE HG21 H 1 0.707 0.01 . 1 . . . . 29 . . . 5365 1 264 . 1 1 42 42 ILE HG22 H 1 0.707 0.01 . 1 . . . . 29 . . . 5365 1 265 . 1 1 42 42 ILE HG23 H 1 0.707 0.01 . 1 . . . . 29 . . . 5365 1 266 . 1 1 42 42 ILE HD11 H 1 0.499 0.01 . 1 . . . . 29 . . . 5365 1 267 . 1 1 42 42 ILE HD12 H 1 0.499 0.01 . 1 . . . . 29 . . . 5365 1 268 . 1 1 42 42 ILE HD13 H 1 0.499 0.01 . 1 . . . . 29 . . . 5365 1 269 . 1 1 42 42 ILE CA C 13 64.097 0.1 . 1 . . . . 29 . . . 5365 1 270 . 1 1 42 42 ILE CB C 13 35.596 0.1 . 1 . . . . 29 . . . 5365 1 271 . 1 1 42 42 ILE N N 15 126.645 0.1 . 1 . . . . 29 . . . 5365 1 272 . 1 1 43 43 TYR H H 1 8.263 0.01 . 1 . . . . 30 . . . 5365 1 273 . 1 1 43 43 TYR HA H 1 4.705 0.01 . 1 . . . . 30 . . . 5365 1 274 . 1 1 43 43 TYR HB2 H 1 3.274 0.01 . 2 . . . . 30 . . . 5365 1 275 . 1 1 43 43 TYR HB3 H 1 3.376 0.01 . 2 . . . . 30 . . . 5365 1 276 . 1 1 43 43 TYR HD1 H 1 6.907 0.01 . 1 . . . . 30 . . . 5365 1 277 . 1 1 43 43 TYR HD2 H 1 6.907 0.01 . 1 . . . . 30 . . . 5365 1 278 . 1 1 43 43 TYR HE1 H 1 6.477 0.01 . 1 . . . . 30 . . . 5365 1 279 . 1 1 43 43 TYR HE2 H 1 6.477 0.01 . 1 . . . . 30 . . . 5365 1 280 . 1 1 43 43 TYR CA C 13 55.851 0.1 . 1 . . . . 30 . . . 5365 1 281 . 1 1 43 43 TYR CB C 13 34.567 0.1 . 1 . . . . 30 . . . 5365 1 282 . 1 1 43 43 TYR N N 15 117.608 0.1 . 1 . . . . 30 . . . 5365 1 283 . 1 1 44 44 ALA H H 1 8.380 0.01 . 1 . . . . 31 . . . 5365 1 284 . 1 1 44 44 ALA HA H 1 4.220 0.01 . 1 . . . . 31 . . . 5365 1 285 . 1 1 44 44 ALA HB1 H 1 1.598 0.01 . 1 . . . . 31 . . . 5365 1 286 . 1 1 44 44 ALA HB2 H 1 1.598 0.01 . 1 . . . . 31 . . . 5365 1 287 . 1 1 44 44 ALA HB3 H 1 1.598 0.01 . 1 . . . . 31 . . . 5365 1 288 . 1 1 44 44 ALA CA C 13 52.576 0.1 . 1 . . . . 31 . . . 5365 1 289 . 1 1 44 44 ALA CB C 13 15.901 0.1 . 1 . . . . 31 . . . 5365 1 290 . 1 1 44 44 ALA N N 15 119.109 0.1 . 1 . . . . 31 . . . 5365 1 291 . 1 1 45 45 HIS H H 1 8.099 0.01 . 1 . . . . 32 . . . 5365 1 292 . 1 1 45 45 HIS HA H 1 4.236 0.01 . 1 . . . . 32 . . . 5365 1 293 . 1 1 45 45 HIS HB2 H 1 3.257 0.01 . 1 . . . . 32 . . . 5365 1 294 . 1 1 45 45 HIS HB3 H 1 3.391 0.01 . 1 . . . . 32 . . . 5365 1 295 . 1 1 45 45 HIS HD1 H 1 6.771 0.01 . 1 . . . . 32 . . . 5365 1 296 . 1 1 45 45 HIS HE1 H 1 7.423 0.01 . 1 . . . . 32 . . . 5365 1 297 . 1 1 45 45 HIS CA C 13 58.792 0.1 . 1 . . . . 32 . . . 5365 1 298 . 1 1 45 45 HIS CB C 13 29.394 0.1 . 1 . . . . 32 . . . 5365 1 299 . 1 1 45 45 HIS N N 15 117.833 0.1 . 1 . . . . 32 . . . 5365 1 300 . 1 1 46 46 ILE H H 1 8.398 0.01 . 1 . . . . 33 . . . 5365 1 301 . 1 1 46 46 ILE HA H 1 3.821 0.01 . 1 . . . . 33 . . . 5365 1 302 . 1 1 46 46 ILE HB H 1 2.173 0.01 . 1 . . . . 33 . . . 5365 1 303 . 1 1 46 46 ILE HG12 H 1 1.117 0.01 . 1 . . . . 33 . . . 5365 1 304 . 1 1 46 46 ILE HG21 H 1 0.871 0.01 . 1 . . . . 33 . . . 5365 1 305 . 1 1 46 46 ILE HG22 H 1 0.871 0.01 . 1 . . . . 33 . . . 5365 1 306 . 1 1 46 46 ILE HG23 H 1 0.871 0.01 . 1 . . . . 33 . . . 5365 1 307 . 1 1 46 46 ILE HD11 H 1 0.490 0.01 . 1 . . . . 33 . . . 5365 1 308 . 1 1 46 46 ILE HD12 H 1 0.490 0.01 . 1 . . . . 33 . . . 5365 1 309 . 1 1 46 46 ILE HD13 H 1 0.490 0.01 . 1 . . . . 33 . . . 5365 1 310 . 1 1 46 46 ILE CA C 13 65.002 0.1 . 1 . . . . 33 . . . 5365 1 311 . 1 1 46 46 ILE CB C 13 36.146 0.1 . 1 . . . . 33 . . . 5365 1 312 . 1 1 46 46 ILE N N 15 119.321 0.1 . 1 . . . . 33 . . . 5365 1 313 . 1 1 47 47 THR H H 1 8.689 0.01 . 1 . . . . 34 . . . 5365 1 314 . 1 1 47 47 THR HA H 1 4.029 0.01 . 1 . . . . 34 . . . 5365 1 315 . 1 1 47 47 THR HB H 1 4.192 0.01 . 1 . . . . 34 . . . 5365 1 316 . 1 1 47 47 THR HG21 H 1 1.444 0.01 . 1 . . . . 34 . . . 5365 1 317 . 1 1 47 47 THR HG22 H 1 1.444 0.01 . 1 . . . . 34 . . . 5365 1 318 . 1 1 47 47 THR HG23 H 1 1.444 0.01 . 1 . . . . 34 . . . 5365 1 319 . 1 1 47 47 THR CA C 13 63.367 0.1 . 1 . . . . 34 . . . 5365 1 320 . 1 1 47 47 THR CB C 13 66.699 0.1 . 1 . . . . 34 . . . 5365 1 321 . 1 1 47 47 THR N N 15 110.476 0.1 . 1 . . . . 34 . . . 5365 1 322 . 1 1 48 48 LYS H H 1 7.821 0.01 . 1 . . . . 35 . . . 5365 1 323 . 1 1 48 48 LYS HA H 1 3.931 0.01 . 1 . . . . 35 . . . 5365 1 324 . 1 1 48 48 LYS HB2 H 1 1.650 0.01 . 2 . . . . 35 . . . 5365 1 325 . 1 1 48 48 LYS HB3 H 1 1.879 0.01 . 2 . . . . 35 . . . 5365 1 326 . 1 1 48 48 LYS HG2 H 1 1.444 0.01 . 1 . . . . 35 . . . 5365 1 327 . 1 1 48 48 LYS HG3 H 1 1.444 0.01 . 1 . . . . 35 . . . 5365 1 328 . 1 1 48 48 LYS HD2 H 1 1.156 0.01 . 1 . . . . 35 . . . 5365 1 329 . 1 1 48 48 LYS HD3 H 1 1.156 0.01 . 1 . . . . 35 . . . 5365 1 330 . 1 1 48 48 LYS HE2 H 1 2.962 0.01 . 1 . . . . 35 . . . 5365 1 331 . 1 1 48 48 LYS HE3 H 1 2.962 0.01 . 1 . . . . 35 . . . 5365 1 332 . 1 1 48 48 LYS CA C 13 56.641 0.1 . 1 . . . . 35 . . . 5365 1 333 . 1 1 48 48 LYS CB C 13 30.244 0.1 . 1 . . . . 35 . . . 5365 1 334 . 1 1 48 48 LYS N N 15 120.564 0.1 . 1 . . . . 35 . . . 5365 1 335 . 1 1 49 49 HIS H H 1 7.626 0.01 . 1 . . . . 36 . . . 5365 1 336 . 1 1 49 49 HIS HA H 1 3.951 0.01 . 1 . . . . 36 . . . 5365 1 337 . 1 1 49 49 HIS HB2 H 1 2.403 0.01 . 1 . . . . 36 . . . 5365 1 338 . 1 1 49 49 HIS HB3 H 1 2.403 0.01 . 1 . . . . 36 . . . 5365 1 339 . 1 1 49 49 HIS HD1 H 1 6.419 0.01 . 1 . . . . 36 . . . 5365 1 340 . 1 1 49 49 HIS HE1 H 1 8.013 0.01 . 1 . . . . 36 . . . 5365 1 341 . 1 1 49 49 HIS CA C 13 56.268 0.1 . 1 . . . . 36 . . . 5365 1 342 . 1 1 49 49 HIS CB C 13 27.568 0.1 . 1 . . . . 36 . . . 5365 1 343 . 1 1 49 49 HIS N N 15 113.243 0.1 . 1 . . . . 36 . . . 5365 1 344 . 1 1 50 50 TYR H H 1 8.523 0.01 . 1 . . . . 37 . . . 5365 1 345 . 1 1 50 50 TYR HA H 1 5.151 0.01 . 1 . . . . 37 . . . 5365 1 346 . 1 1 50 50 TYR HB2 H 1 2.973 0.01 . 2 . . . . 37 . . . 5365 1 347 . 1 1 50 50 TYR HB3 H 1 3.499 0.01 . 2 . . . . 37 . . . 5365 1 348 . 1 1 50 50 TYR HD1 H 1 7.424 0.01 . 1 . . . . 37 . . . 5365 1 349 . 1 1 50 50 TYR HD2 H 1 7.424 0.01 . 1 . . . . 37 . . . 5365 1 350 . 1 1 50 50 TYR HE1 H 1 6.967 0.01 . 1 . . . . 37 . . . 5365 1 351 . 1 1 50 50 TYR HE2 H 1 6.967 0.01 . 1 . . . . 37 . . . 5365 1 352 . 1 1 50 50 TYR CA C 13 53.068 0.1 . 1 . . . . 37 . . . 5365 1 353 . 1 1 50 50 TYR CB C 13 36.800 0.1 . 1 . . . . 37 . . . 5365 1 354 . 1 1 50 50 TYR N N 15 117.347 0.1 . 1 . . . . 37 . . . 5365 1 355 . 1 1 51 51 PRO HG2 H 1 1.710 0.1 . 1 . . . . 38 . . . 5365 1 356 . 1 1 51 51 PRO HD2 H 1 3.450 0.1 . 1 . . . . 38 . . . 5365 1 357 . 1 1 51 51 PRO HD3 H 1 3.858 0.1 . 1 . . . . 38 . . . 5365 1 358 . 1 1 52 52 TYR H H 1 8.566 0.01 . 1 . . . . 39 . . . 5365 1 359 . 1 1 52 52 TYR HA H 1 3.792 0.01 . 1 . . . . 39 . . . 5365 1 360 . 1 1 52 52 TYR HB2 H 1 1.854 0.01 . 2 . . . . 39 . . . 5365 1 361 . 1 1 52 52 TYR HB3 H 1 3.082 0.01 . 2 . . . . 39 . . . 5365 1 362 . 1 1 52 52 TYR HD1 H 1 5.819 0.01 . 1 . . . . 39 . . . 5365 1 363 . 1 1 52 52 TYR HD2 H 1 5.819 0.01 . 1 . . . . 39 . . . 5365 1 364 . 1 1 52 52 TYR HE1 H 1 6.441 0.01 . 1 . . . . 39 . . . 5365 1 365 . 1 1 52 52 TYR HE2 H 1 6.441 0.01 . 1 . . . . 39 . . . 5365 1 366 . 1 1 52 52 TYR CA C 13 59.506 0.1 . 1 . . . . 39 . . . 5365 1 367 . 1 1 52 52 TYR CB C 13 38.228 0.1 . 1 . . . . 39 . . . 5365 1 368 . 1 1 52 52 TYR N N 15 118.200 0.1 . 1 . . . . 39 . . . 5365 1 369 . 1 1 53 53 TYR H H 1 8.081 0.1 . 1 . . . . 40 . . . 5365 1 370 . 1 1 53 53 TYR HA H 1 3.656 0.01 . 1 . . . . 40 . . . 5365 1 371 . 1 1 53 53 TYR HB2 H 1 2.179 0.01 . 1 . . . . 40 . . . 5365 1 372 . 1 1 53 53 TYR HD1 H 1 6.318 0.01 . 1 . . . . 40 . . . 5365 1 373 . 1 1 53 53 TYR HD2 H 1 6.318 0.01 . 1 . . . . 40 . . . 5365 1 374 . 1 1 53 53 TYR CA C 13 57.731 0.1 . 1 . . . . 40 . . . 5365 1 375 . 1 1 53 53 TYR CB C 13 30.526 0.1 . 1 . . . . 40 . . . 5365 1 376 . 1 1 53 53 TYR N N 15 114.587 0.1 . 1 . . . . 40 . . . 5365 1 377 . 1 1 54 54 ARG H H 1 8.092 0.01 . 1 . . . . 41 . . . 5365 1 378 . 1 1 54 54 ARG HA H 1 4.386 0.01 . 1 . . . . 41 . . . 5365 1 379 . 1 1 54 54 ARG HB2 H 1 1.757 0.01 . 2 . . . . 41 . . . 5365 1 380 . 1 1 54 54 ARG HB3 H 1 1.939 0.01 . 2 . . . . 41 . . . 5365 1 381 . 1 1 54 54 ARG HG2 H 1 1.441 0.01 . 1 . . . . 41 . . . 5365 1 382 . 1 1 54 54 ARG HG3 H 1 1.441 0.01 . 1 . . . . 41 . . . 5365 1 383 . 1 1 54 54 ARG HD2 H 1 3.667 0.01 . 1 . . . . 41 . . . 5365 1 384 . 1 1 54 54 ARG HD3 H 1 3.667 0.01 . 1 . . . . 41 . . . 5365 1 385 . 1 1 54 54 ARG HE H 1 7.143 0.01 . 1 . . . . 41 . . . 5365 1 386 . 1 1 54 54 ARG CA C 13 54.926 0.1 . 1 . . . . 41 . . . 5365 1 387 . 1 1 54 54 ARG N N 15 119.641 0.1 . 1 . . . . 41 . . . 5365 1 388 . 1 1 57 57 ASP HA H 1 4.618 0.01 . 1 . . . . 44 . . . 5365 1 389 . 1 1 57 57 ASP HB2 H 1 2.822 0.01 . 2 . . . . 44 . . . 5365 1 390 . 1 1 57 57 ASP HB3 H 1 2.958 0.01 . 2 . . . . 44 . . . 5365 1 391 . 1 1 57 57 ASP CA C 13 53.793 0.1 . 1 . . . . 44 . . . 5365 1 392 . 1 1 57 57 ASP CB C 13 39.788 0.1 . 1 . . . . 44 . . . 5365 1 393 . 1 1 58 58 LYS H H 1 8.498 0.01 . 1 . . . . 45 . . . 5365 1 394 . 1 1 58 58 LYS HA H 1 3.871 0.01 . 1 . . . . 45 . . . 5365 1 395 . 1 1 58 58 LYS HB2 H 1 1.689 0.01 . 1 . . . . 45 . . . 5365 1 396 . 1 1 58 58 LYS HB3 H 1 1.689 0.01 . 1 . . . . 45 . . . 5365 1 397 . 1 1 58 58 LYS CA C 13 55.566 0.1 . 1 . . . . 45 . . . 5365 1 398 . 1 1 58 58 LYS CB C 13 29.550 0.1 . 1 . . . . 45 . . . 5365 1 399 . 1 1 58 58 LYS N N 15 121.048 0.1 . 1 . . . . 45 . . . 5365 1 400 . 1 1 59 59 GLY H H 1 8.913 0.01 . 1 . . . . 46 . . . 5365 1 401 . 1 1 59 59 GLY HA2 H 1 3.792 0.01 . 2 . . . . 46 . . . 5365 1 402 . 1 1 59 59 GLY HA3 H 1 4.077 0.01 . 2 . . . . 46 . . . 5365 1 403 . 1 1 59 59 GLY CA C 13 45.709 0.1 . 1 . . . . 46 . . . 5365 1 404 . 1 1 59 59 GLY N N 15 111.230 0.1 . 1 . . . . 46 . . . 5365 1 405 . 1 1 60 60 TRP H H 1 8.215 0.01 . 1 . . . . 47 . . . 5365 1 406 . 1 1 60 60 TRP HA H 1 4.305 0.01 . 1 . . . . 47 . . . 5365 1 407 . 1 1 60 60 TRP HB2 H 1 3.547 0.01 . 2 . . . . 47 . . . 5365 1 408 . 1 1 60 60 TRP HB3 H 1 3.651 0.01 . 2 . . . . 47 . . . 5365 1 409 . 1 1 60 60 TRP HD1 H 1 7.947 0.01 . 1 . . . . 47 . . . 5365 1 410 . 1 1 60 60 TRP HE1 H 1 10.608 0.01 . 1 . . . . 47 . . . 5365 1 411 . 1 1 60 60 TRP HE3 H 1 7.007 0.01 . 1 . . . . 47 . . . 5365 1 412 . 1 1 60 60 TRP HZ2 H 1 7.204 0.01 . 1 . . . . 47 . . . 5365 1 413 . 1 1 60 60 TRP HH2 H 1 7.285 0.01 . 1 . . . . 47 . . . 5365 1 414 . 1 1 60 60 TRP CA C 13 56.818 0.1 . 1 . . . . 47 . . . 5365 1 415 . 1 1 60 60 TRP CB C 13 25.176 0.1 . 1 . . . . 47 . . . 5365 1 416 . 1 1 60 60 TRP N N 15 121.033 0.1 . 1 . . . . 47 . . . 5365 1 417 . 1 1 61 61 GLN HA H 1 2.982 0.01 . 1 . . . . 48 . . . 5365 1 418 . 1 1 61 61 GLN HB2 H 1 -0.647 0.01 . 2 . . . . 48 . . . 5365 1 419 . 1 1 61 61 GLN HB3 H 1 -0.053 0.01 . 2 . . . . 48 . . . 5365 1 420 . 1 1 61 61 GLN HG2 H 1 1.270 0.01 . 2 . . . . 48 . . . 5365 1 421 . 1 1 61 61 GLN HG3 H 1 1.318 0.01 . 2 . . . . 48 . . . 5365 1 422 . 1 1 61 61 GLN HE21 H 1 5.515 0.01 . 2 . . . . 48 . . . 5365 1 423 . 1 1 61 61 GLN HE22 H 1 6.498 0.01 . 2 . . . . 48 . . . 5365 1 424 . 1 1 61 61 GLN CA C 13 56.722 0.1 . 1 . . . . 48 . . . 5365 1 425 . 1 1 61 61 GLN CB C 13 23.847 0.1 . 1 . . . . 48 . . . 5365 1 426 . 1 1 62 62 ASN H H 1 7.679 0.01 . 1 . . . . 49 . . . 5365 1 427 . 1 1 62 62 ASN HA H 1 4.322 0.01 . 1 . . . . 49 . . . 5365 1 428 . 1 1 62 62 ASN HB2 H 1 2.765 0.01 . 2 . . . . 49 . . . 5365 1 429 . 1 1 62 62 ASN HB3 H 1 2.892 0.01 . 2 . . . . 49 . . . 5365 1 430 . 1 1 62 62 ASN HD21 H 1 6.965 0.01 . 2 . . . . 49 . . . 5365 1 431 . 1 1 62 62 ASN HD22 H 1 7.697 0.01 . 2 . . . . 49 . . . 5365 1 432 . 1 1 62 62 ASN CA C 13 53.714 0.1 . 1 . . . . 49 . . . 5365 1 433 . 1 1 62 62 ASN CB C 13 35.277 0.1 . 1 . . . . 49 . . . 5365 1 434 . 1 1 62 62 ASN N N 15 120.502 0.1 . 1 . . . . 49 . . . 5365 1 435 . 1 1 63 63 SER H H 1 7.869 0.01 . 1 . . . . 50 . . . 5365 1 436 . 1 1 63 63 SER HA H 1 4.154 0.01 . 1 . . . . 50 . . . 5365 1 437 . 1 1 63 63 SER HB2 H 1 3.150 0.01 . 2 . . . . 50 . . . 5365 1 438 . 1 1 63 63 SER HB3 H 1 3.306 0.01 . 2 . . . . 50 . . . 5365 1 439 . 1 1 63 63 SER CA C 13 60.001 0.1 . 1 . . . . 50 . . . 5365 1 440 . 1 1 63 63 SER CB C 13 57.710 0.1 . 1 . . . . 50 . . . 5365 1 441 . 1 1 63 63 SER N N 15 117.373 0.1 . 1 . . . . 50 . . . 5365 1 442 . 1 1 64 64 ILE H H 1 7.948 0.01 . 1 . . . . 51 . . . 5365 1 443 . 1 1 64 64 ILE HA H 1 3.537 0.01 . 1 . . . . 51 . . . 5365 1 444 . 1 1 64 64 ILE HB H 1 2.389 0.01 . 1 . . . . 51 . . . 5365 1 445 . 1 1 64 64 ILE HG12 H 1 1.590 0.01 . 2 . . . . 51 . . . 5365 1 446 . 1 1 64 64 ILE HG13 H 1 1.885 0.01 . 2 . . . . 51 . . . 5365 1 447 . 1 1 64 64 ILE HG21 H 1 0.840 0.01 . 1 . . . . 51 . . . 5365 1 448 . 1 1 64 64 ILE HG22 H 1 0.840 0.01 . 1 . . . . 51 . . . 5365 1 449 . 1 1 64 64 ILE HG23 H 1 0.840 0.01 . 1 . . . . 51 . . . 5365 1 450 . 1 1 64 64 ILE HD11 H 1 0.635 0.01 . 1 . . . . 51 . . . 5365 1 451 . 1 1 64 64 ILE HD12 H 1 0.635 0.01 . 1 . . . . 51 . . . 5365 1 452 . 1 1 64 64 ILE HD13 H 1 0.635 0.01 . 1 . . . . 51 . . . 5365 1 453 . 1 1 64 64 ILE CA C 13 60.636 0.1 . 1 . . . . 51 . . . 5365 1 454 . 1 1 64 64 ILE CB C 13 33.204 0.1 . 1 . . . . 51 . . . 5365 1 455 . 1 1 64 64 ILE N N 15 123.738 0.1 . 1 . . . . 51 . . . 5365 1 456 . 1 1 65 65 ARG H H 1 7.458 0.01 . 1 . . . . 52 . . . 5365 1 457 . 1 1 65 65 ARG HA H 1 3.590 0.01 . 1 . . . . 52 . . . 5365 1 458 . 1 1 65 65 ARG HB2 H 1 1.872 0.01 . 1 . . . . 52 . . . 5365 1 459 . 1 1 65 65 ARG HB3 H 1 1.872 0.01 . 1 . . . . 52 . . . 5365 1 460 . 1 1 65 65 ARG HG2 H 1 1.499 0.01 . 2 . . . . 52 . . . 5365 1 461 . 1 1 65 65 ARG HG3 H 1 1.875 0.01 . 2 . . . . 52 . . . 5365 1 462 . 1 1 65 65 ARG HD2 H 1 3.204 0.01 . 2 . . . . 52 . . . 5365 1 463 . 1 1 65 65 ARG HD3 H 1 3.504 0.01 . 2 . . . . 52 . . . 5365 1 464 . 1 1 65 65 ARG HE H 1 7.261 0.01 . 1 . . . . 52 . . . 5365 1 465 . 1 1 65 65 ARG CA C 13 57.954 0.1 . 1 . . . . 52 . . . 5365 1 466 . 1 1 65 65 ARG CB C 13 27.541 0.1 . 1 . . . . 52 . . . 5365 1 467 . 1 1 65 65 ARG N N 15 118.190 0.1 . 1 . . . . 52 . . . 5365 1 468 . 1 1 66 66 HIS H H 1 8.312 0.01 . 1 . . . . 53 . . . 5365 1 469 . 1 1 66 66 HIS HA H 1 4.344 0.01 . 1 . . . . 53 . . . 5365 1 470 . 1 1 66 66 HIS HB2 H 1 3.172 0.01 . 1 . . . . 53 . . . 5365 1 471 . 1 1 66 66 HIS HB3 H 1 3.172 0.01 . 1 . . . . 53 . . . 5365 1 472 . 1 1 66 66 HIS CA C 13 56.378 0.1 . 1 . . . . 53 . . . 5365 1 473 . 1 1 66 66 HIS CB C 13 27.632 0.1 . 1 . . . . 53 . . . 5365 1 474 . 1 1 66 66 HIS N N 15 117.138 0.1 . 1 . . . . 53 . . . 5365 1 475 . 1 1 66 66 HIS HD1 H 1 7.008 0.1 . 1 . . . . 53 . . . 5365 1 476 . 1 1 66 66 HIS HE1 H 1 8.020 0.1 . 1 . . . . 53 . . . 5365 1 477 . 1 1 67 67 ASN H H 1 7.957 0.1 . 1 . . . . 54 . . . 5365 1 478 . 1 1 67 67 ASN HA H 1 4.171 0.01 . 1 . . . . 54 . . . 5365 1 479 . 1 1 67 67 ASN HB2 H 1 2.233 0.01 . 2 . . . . 54 . . . 5365 1 480 . 1 1 67 67 ASN HB3 H 1 2.773 0.01 . 2 . . . . 54 . . . 5365 1 481 . 1 1 67 67 ASN HD21 H 1 7.561 0.01 . 2 . . . . 54 . . . 5365 1 482 . 1 1 67 67 ASN HD22 H 1 7.649 0.01 . 2 . . . . 54 . . . 5365 1 483 . 1 1 67 67 ASN CA C 13 55.122 0.1 . 1 . . . . 54 . . . 5365 1 484 . 1 1 67 67 ASN CB C 13 38.401 0.1 . 1 . . . . 54 . . . 5365 1 485 . 1 1 67 67 ASN N N 15 116.777 0.1 . 1 . . . . 54 . . . 5365 1 486 . 1 1 68 68 LEU H H 1 7.733 0.01 . 1 . . . . 55 . . . 5365 1 487 . 1 1 68 68 LEU HA H 1 3.759 0.01 . 1 . . . . 55 . . . 5365 1 488 . 1 1 68 68 LEU HB2 H 1 -0.03 0.01 . 2 . . . . 55 . . . 5365 1 489 . 1 1 68 68 LEU HB3 H 1 1.062 0.01 . 2 . . . . 55 . . . 5365 1 490 . 1 1 68 68 LEU HG H 1 -0.482 0.01 . 1 . . . . 55 . . . 5365 1 491 . 1 1 68 68 LEU HD11 H 1 -0.604 0.01 . 1 . . . . 55 . . . 5365 1 492 . 1 1 68 68 LEU HD12 H 1 -0.604 0.01 . 1 . . . . 55 . . . 5365 1 493 . 1 1 68 68 LEU HD13 H 1 -0.604 0.01 . 1 . . . . 55 . . . 5365 1 494 . 1 1 68 68 LEU CA C 13 55.337 0.1 . 1 . . . . 55 . . . 5365 1 495 . 1 1 68 68 LEU CB C 13 38.501 0.1 . 1 . . . . 55 . . . 5365 1 496 . 1 1 68 68 LEU N N 15 119.470 0.1 . 1 . . . . 55 . . . 5365 1 497 . 1 1 69 69 SER H H 1 7.127 0.01 . 1 . . . . 56 . . . 5365 1 498 . 1 1 69 69 SER HA H 1 4.339 0.01 . 1 . . . . 56 . . . 5365 1 499 . 1 1 69 69 SER HB2 H 1 3.947 0.01 . 1 . . . . 56 . . . 5365 1 500 . 1 1 69 69 SER HB3 H 1 3.947 0.01 . 1 . . . . 56 . . . 5365 1 501 . 1 1 69 69 SER CA C 13 58.009 0.1 . 1 . . . . 56 . . . 5365 1 502 . 1 1 69 69 SER CB C 13 61.725 0.1 . 1 . . . . 56 . . . 5365 1 503 . 1 1 69 69 SER N N 15 108.687 0.1 . 1 . . . . 56 . . . 5365 1 504 . 1 1 70 70 LEU H H 1 7.620 0.01 . 1 . . . . 57 . . . 5365 1 505 . 1 1 70 70 LEU HA H 1 4.252 0.01 . 1 . . . . 57 . . . 5365 1 506 . 1 1 70 70 LEU HB2 H 1 1.444 0.01 . 2 . . . . 57 . . . 5365 1 507 . 1 1 70 70 LEU HB3 H 1 1.520 0.01 . 2 . . . . 57 . . . 5365 1 508 . 1 1 70 70 LEU HG H 1 1.597 0.01 . 1 . . . . 57 . . . 5365 1 509 . 1 1 70 70 LEU HD11 H 1 0.737 0.01 . 1 . . . . 57 . . . 5365 1 510 . 1 1 70 70 LEU HD12 H 1 0.737 0.01 . 1 . . . . 57 . . . 5365 1 511 . 1 1 70 70 LEU HD13 H 1 0.737 0.01 . 1 . . . . 57 . . . 5365 1 512 . 1 1 70 70 LEU CA C 13 53.622 0.1 . 1 . . . . 57 . . . 5365 1 513 . 1 1 70 70 LEU CB C 13 41.401 0.1 . 1 . . . . 57 . . . 5365 1 514 . 1 1 70 70 LEU N N 15 119.323 0.1 . 1 . . . . 57 . . . 5365 1 515 . 1 1 71 71 ASN H H 1 7.578 0.01 . 1 . . . . 58 . . . 5365 1 516 . 1 1 71 71 ASN HA H 1 4.575 0.01 . 1 . . . . 58 . . . 5365 1 517 . 1 1 71 71 ASN HB2 H 1 2.024 0.01 . 2 . . . . 58 . . . 5365 1 518 . 1 1 71 71 ASN HB3 H 1 2.594 0.01 . 2 . . . . 58 . . . 5365 1 519 . 1 1 71 71 ASN HD21 H 1 6.828 0.01 . 2 . . . . 58 . . . 5365 1 520 . 1 1 71 71 ASN HD22 H 1 7.767 0.01 . 2 . . . . 58 . . . 5365 1 521 . 1 1 71 71 ASN CA C 13 51.125 0.1 . 1 . . . . 58 . . . 5365 1 522 . 1 1 71 71 ASN CB C 13 37.082 0.1 . 1 . . . . 58 . . . 5365 1 523 . 1 1 71 71 ASN N N 15 116.564 0.1 . 1 . . . . 58 . . . 5365 1 524 . 1 1 72 72 ARG H H 1 8.427 0.1 . 1 . . . . 59 . . . 5365 1 525 . 1 1 72 72 ARG HA H 1 4.241 0.01 . 1 . . . . 59 . . . 5365 1 526 . 1 1 72 72 ARG HB2 H 1 1.706 0.01 . 2 . . . . 59 . . . 5365 1 527 . 1 1 72 72 ARG HB3 H 1 1.810 0.01 . 2 . . . . 59 . . . 5365 1 528 . 1 1 72 72 ARG HG2 H 1 1.485 0.01 . 1 . . . . 59 . . . 5365 1 529 . 1 1 72 72 ARG HG3 H 1 1.485 0.01 . 1 . . . . 59 . . . 5365 1 530 . 1 1 72 72 ARG HD2 H 1 3.129 0.01 . 1 . . . . 59 . . . 5365 1 531 . 1 1 72 72 ARG HD3 H 1 3.129 0.01 . 1 . . . . 59 . . . 5365 1 532 . 1 1 72 72 ARG HE H 1 7.268 0.01 . 1 . . . . 59 . . . 5365 1 533 . 1 1 72 72 ARG CA C 13 54.962 0.1 . 1 . . . . 59 . . . 5365 1 534 . 1 1 72 72 ARG CB C 13 27.115 0.1 . 1 . . . . 59 . . . 5365 1 535 . 1 1 72 72 ARG N N 15 121.236 0.1 . 1 . . . . 59 . . . 5365 1 536 . 1 1 73 73 TYR H H 1 7.251 0.01 . 1 . . . . 60 . . . 5365 1 537 . 1 1 73 73 TYR HA H 1 4.436 0.01 . 1 . . . . 60 . . . 5365 1 538 . 1 1 73 73 TYR HB2 H 1 2.435 0.02 . 2 . . . . 60 . . . 5365 1 539 . 1 1 73 73 TYR HB3 H 1 2.533 0.02 . 2 . . . . 60 . . . 5365 1 540 . 1 1 73 73 TYR HD1 H 1 6.643 0.01 . 1 . . . . 60 . . . 5365 1 541 . 1 1 73 73 TYR HD2 H 1 6.643 0.01 . 1 . . . . 60 . . . 5365 1 542 . 1 1 73 73 TYR HE1 H 1 6.542 0.01 . 1 . . . . 60 . . . 5365 1 543 . 1 1 73 73 TYR HE2 H 1 6.542 0.01 . 1 . . . . 60 . . . 5365 1 544 . 1 1 73 73 TYR CA C 13 54.480 0.1 . 1 . . . . 60 . . . 5365 1 545 . 1 1 73 73 TYR CB C 13 34.661 0.1 . 1 . . . . 60 . . . 5365 1 546 . 1 1 73 73 TYR N N 15 114.234 0.1 . 1 . . . . 60 . . . 5365 1 547 . 1 1 74 74 PHE H H 1 7.633 0.01 . 1 . . . . 61 . . . 5365 1 548 . 1 1 74 74 PHE HA H 1 5.726 0.01 . 1 . . . . 61 . . . 5365 1 549 . 1 1 74 74 PHE HB2 H 1 3.244 0.01 . 2 . . . . 61 . . . 5365 1 550 . 1 1 74 74 PHE HB3 H 1 3.351 0.01 . 2 . . . . 61 . . . 5365 1 551 . 1 1 74 74 PHE HD1 H 1 7.380 0.01 . 1 . . . . 61 . . . 5365 1 552 . 1 1 74 74 PHE HD2 H 1 7.380 0.01 . 1 . . . . 61 . . . 5365 1 553 . 1 1 74 74 PHE HE1 H 1 7.041 0.01 . 1 . . . . 61 . . . 5365 1 554 . 1 1 74 74 PHE HE2 H 1 7.041 0.01 . 1 . . . . 61 . . . 5365 1 555 . 1 1 74 74 PHE CA C 13 53.801 0.1 . 1 . . . . 61 . . . 5365 1 556 . 1 1 74 74 PHE CB C 13 37.733 0.1 . 1 . . . . 61 . . . 5365 1 557 . 1 1 74 74 PHE N N 15 118.938 0.1 . 1 . . . . 61 . . . 5365 1 558 . 1 1 75 75 ILE H H 1 9.406 0.01 . 1 . . . . 62 . . . 5365 1 559 . 1 1 75 75 ILE HA H 1 4.635 0.01 . 1 . . . . 62 . . . 5365 1 560 . 1 1 75 75 ILE HB H 1 1.755 0.01 . 1 . . . . 62 . . . 5365 1 561 . 1 1 75 75 ILE HG12 H 1 1.079 0.01 . 2 . . . . 62 . . . 5365 1 562 . 1 1 75 75 ILE HG13 H 1 1.430 0.01 . 2 . . . . 62 . . . 5365 1 563 . 1 1 75 75 ILE HG21 H 1 0.871 0.01 . 1 . . . . 62 . . . 5365 1 564 . 1 1 75 75 ILE HG22 H 1 0.871 0.01 . 1 . . . . 62 . . . 5365 1 565 . 1 1 75 75 ILE HG23 H 1 0.871 0.01 . 1 . . . . 62 . . . 5365 1 566 . 1 1 75 75 ILE CA C 13 56.929 0.1 . 1 . . . . 62 . . . 5365 1 567 . 1 1 75 75 ILE CB C 13 38.888 0.1 . 1 . . . . 62 . . . 5365 1 568 . 1 1 75 75 ILE N N 15 120.859 0.1 . 1 . . . . 62 . . . 5365 1 569 . 1 1 76 76 LYS H H 1 8.256 0.01 . 1 . . . . 63 . . . 5365 1 570 . 1 1 76 76 LYS HA H 1 3.859 0.01 . 1 . . . . 63 . . . 5365 1 571 . 1 1 76 76 LYS HB2 H 1 0.722 0.01 . 2 . . . . 63 . . . 5365 1 572 . 1 1 76 76 LYS HB3 H 1 1.077 0.01 . 2 . . . . 63 . . . 5365 1 573 . 1 1 76 76 LYS HG2 H 1 0.251 0.01 . 2 . . . . 63 . . . 5365 1 574 . 1 1 76 76 LYS HG3 H 1 0.350 0.01 . 2 . . . . 63 . . . 5365 1 575 . 1 1 76 76 LYS HD2 H 1 1.320 0.01 . 1 . . . . 63 . . . 5365 1 576 . 1 1 76 76 LYS HD3 H 1 1.320 0.01 . 1 . . . . 63 . . . 5365 1 577 . 1 1 76 76 LYS HE2 H 1 2.713 0.01 . 1 . . . . 63 . . . 5365 1 578 . 1 1 76 76 LYS HE3 H 1 2.713 0.01 . 1 . . . . 63 . . . 5365 1 579 . 1 1 76 76 LYS CA C 13 53.020 0.1 . 1 . . . . 63 . . . 5365 1 580 . 1 1 76 76 LYS CB C 13 30.403 0.1 . 1 . . . . 63 . . . 5365 1 581 . 1 1 76 76 LYS N N 15 125.904 0.1 . 1 . . . . 63 . . . 5365 1 582 . 1 1 77 77 VAL H H 1 8.741 0.01 . 1 . . . . 64 . . . 5365 1 583 . 1 1 77 77 VAL HA H 1 4.233 0.01 . 1 . . . . 64 . . . 5365 1 584 . 1 1 77 77 VAL HB H 1 1.912 0.01 . 1 . . . . 64 . . . 5365 1 585 . 1 1 77 77 VAL HG11 H 1 0.747 0.01 . 2 . . . . 64 . . . 5365 1 586 . 1 1 77 77 VAL HG12 H 1 0.747 0.01 . 2 . . . . 64 . . . 5365 1 587 . 1 1 77 77 VAL HG13 H 1 0.747 0.01 . 2 . . . . 64 . . . 5365 1 588 . 1 1 77 77 VAL HG21 H 1 0.887 0.01 . 2 . . . . 64 . . . 5365 1 589 . 1 1 77 77 VAL HG22 H 1 0.887 0.01 . 2 . . . . 64 . . . 5365 1 590 . 1 1 77 77 VAL HG23 H 1 0.887 0.01 . 2 . . . . 64 . . . 5365 1 591 . 1 1 77 77 VAL CA C 13 57.369 0.1 . 1 . . . . 64 . . . 5365 1 592 . 1 1 77 77 VAL CB C 13 30.606 0.1 . 1 . . . . 64 . . . 5365 1 593 . 1 1 77 77 VAL N N 15 127.526 0.1 . 1 . . . . 64 . . . 5365 1 594 . 1 1 78 78 PRO HA H 1 4.353 0.01 . 1 . . . . 65 . . . 5365 1 595 . 1 1 78 78 PRO HB2 H 1 1.792 0.01 . 2 . . . . 65 . . . 5365 1 596 . 1 1 78 78 PRO HB3 H 1 2.209 0.01 . 2 . . . . 65 . . . 5365 1 597 . 1 1 78 78 PRO HG2 H 1 2.143 0.01 . 1 . . . . 65 . . . 5365 1 598 . 1 1 78 78 PRO HG3 H 1 2.143 0.01 . 1 . . . . 65 . . . 5365 1 599 . 1 1 78 78 PRO CA C 13 60.729 0.1 . 1 . . . . 65 . . . 5365 1 600 . 1 1 78 78 PRO CB C 13 29.827 0.1 . 1 . . . . 65 . . . 5365 1 601 . 1 1 79 79 ARG H H 1 8.295 0.01 . 1 . . . . 66 . . . 5365 1 602 . 1 1 79 79 ARG HA H 1 4.250 0.01 . 1 . . . . 66 . . . 5365 1 603 . 1 1 79 79 ARG HB2 H 1 1.557 0.02 . 2 . . . . 66 . . . 5365 1 604 . 1 1 79 79 ARG HB3 H 1 1.752 0.02 . 2 . . . . 66 . . . 5365 1 605 . 1 1 79 79 ARG HG2 H 1 1.414 0.01 . 2 . . . . 66 . . . 5365 1 606 . 1 1 79 79 ARG HG3 H 1 1.470 0.01 . 2 . . . . 66 . . . 5365 1 607 . 1 1 79 79 ARG HD2 H 1 3.177 0.01 . 2 . . . . 66 . . . 5365 1 608 . 1 1 79 79 ARG HD3 H 1 3.394 0.01 . 2 . . . . 66 . . . 5365 1 609 . 1 1 79 79 ARG HE H 1 7.037 0.01 . 1 . . . . 66 . . . 5365 1 610 . 1 1 79 79 ARG CA C 13 54.046 0.1 . 1 . . . . 66 . . . 5365 1 611 . 1 1 79 79 ARG CB C 13 29.122 0.1 . 1 . . . . 66 . . . 5365 1 612 . 1 1 79 79 ARG N N 15 121.152 0.1 . 1 . . . . 66 . . . 5365 1 613 . 1 1 80 80 SER H H 1 8.596 0.01 . 1 . . . . 67 . . . 5365 1 614 . 1 1 80 80 SER HA H 1 4.405 0.01 . 1 . . . . 67 . . . 5365 1 615 . 1 1 80 80 SER HB2 H 1 3.791 0.01 . 2 . . . . 67 . . . 5365 1 616 . 1 1 80 80 SER HB3 H 1 3.921 0.01 . 2 . . . . 67 . . . 5365 1 617 . 1 1 80 80 SER CA C 13 55.837 0.1 . 1 . . . . 67 . . . 5365 1 618 . 1 1 80 80 SER CB C 13 61.664 0.1 . 1 . . . . 67 . . . 5365 1 619 . 1 1 80 80 SER N N 15 116.210 0.1 . 1 . . . . 67 . . . 5365 1 620 . 1 1 81 81 GLN H H 1 8.525 0.01 . 1 . . . . 68 . . . 5365 1 621 . 1 1 81 81 GLN HA H 1 4.179 0.01 . 1 . . . . 68 . . . 5365 1 622 . 1 1 81 81 GLN HB2 H 1 1.984 0.02 . 2 . . . . 68 . . . 5365 1 623 . 1 1 81 81 GLN HB3 H 1 2.094 0.02 . 2 . . . . 68 . . . 5365 1 624 . 1 1 81 81 GLN HG2 H 1 2.311 0.01 . 1 . . . . 68 . . . 5365 1 625 . 1 1 81 81 GLN HG3 H 1 2.311 0.01 . 1 . . . . 68 . . . 5365 1 626 . 1 1 81 81 GLN HE21 H 1 6.830 0.01 . 2 . . . . 68 . . . 5365 1 627 . 1 1 81 81 GLN HE22 H 1 7.558 0.01 . 2 . . . . 68 . . . 5365 1 628 . 1 1 81 81 GLN CA C 13 54.302 0.1 . 1 . . . . 68 . . . 5365 1 629 . 1 1 81 81 GLN CB C 13 26.865 0.1 . 1 . . . . 68 . . . 5365 1 630 . 1 1 81 81 GLN N N 15 121.898 0.1 . 1 . . . . 68 . . . 5365 1 631 . 1 1 82 82 GLU H H 1 8.349 0.01 . 1 . . . . 69 . . . 5365 1 632 . 1 1 82 82 GLU HA H 1 4.220 0.01 . 1 . . . . 69 . . . 5365 1 633 . 1 1 82 82 GLU HB2 H 1 1.886 0.01 . 2 . . . . 69 . . . 5365 1 634 . 1 1 82 82 GLU HB3 H 1 2.043 0.01 . 2 . . . . 69 . . . 5365 1 635 . 1 1 82 82 GLU HG2 H 1 2.209 0.01 . 1 . . . . 69 . . . 5365 1 636 . 1 1 82 82 GLU CA C 13 54.440 0.1 . 1 . . . . 69 . . . 5365 1 637 . 1 1 82 82 GLU CB C 13 27.413 0.1 . 1 . . . . 69 . . . 5365 1 638 . 1 1 82 82 GLU N N 15 118.654 0.1 . 1 . . . . 69 . . . 5365 1 639 . 1 1 83 83 GLU H H 1 7.851 0.01 . 1 . . . . 70 . . . 5365 1 640 . 1 1 83 83 GLU HA H 1 4.685 0.01 . 1 . . . . 70 . . . 5365 1 641 . 1 1 83 83 GLU HB2 H 1 1.878 0.01 . 2 . . . . 70 . . . 5365 1 642 . 1 1 83 83 GLU HB3 H 1 2.007 0.01 . 2 . . . . 70 . . . 5365 1 643 . 1 1 83 83 GLU HG2 H 1 2.193 0.01 . 1 . . . . 70 . . . 5365 1 644 . 1 1 83 83 GLU CA C 13 51.697 0.1 . 1 . . . . 70 . . . 5365 1 645 . 1 1 83 83 GLU CB C 13 28.107 0.1 . 1 . . . . 70 . . . 5365 1 646 . 1 1 83 83 GLU N N 15 120.365 0.1 . 1 . . . . 70 . . . 5365 1 647 . 1 1 84 84 PRO HA H 1 4.354 0.01 . 1 . . . . 71 . . . 5365 1 648 . 1 1 84 84 PRO HB2 H 1 1.915 0.01 . 2 . . . . 71 . . . 5365 1 649 . 1 1 84 84 PRO HB3 H 1 2.266 0.01 . 2 . . . . 71 . . . 5365 1 650 . 1 1 84 84 PRO HG2 H 1 2.062 0.01 . 1 . . . . 71 . . . 5365 1 651 . 1 1 84 84 PRO HG3 H 1 2.062 0.01 . 1 . . . . 71 . . . 5365 1 652 . 1 1 84 84 PRO HD2 H 1 3.669 0.01 . 1 . . . . 71 . . . 5365 1 653 . 1 1 84 84 PRO CA C 13 61.879 0.1 . 1 . . . . 71 . . . 5365 1 654 . 1 1 84 84 PRO CB C 13 29.505 0.1 . 1 . . . . 71 . . . 5365 1 655 . 1 1 85 85 GLY H H 1 8.675 0.01 . 1 . . . . 72 . . . 5365 1 656 . 1 1 85 85 GLY HA2 H 1 3.861 0.01 . 2 . . . . 72 . . . 5365 1 657 . 1 1 85 85 GLY HA3 H 1 3.992 0.01 . 2 . . . . 72 . . . 5365 1 658 . 1 1 85 85 GLY CA C 13 43.367 0.1 . 1 . . . . 72 . . . 5365 1 659 . 1 1 85 85 GLY N N 15 108.631 0.1 . 1 . . . . 72 . . . 5365 1 660 . 1 1 86 86 LYS H H 1 7.849 0.01 . 1 . . . . 73 . . . 5365 1 661 . 1 1 86 86 LYS HA H 1 4.385 0.01 . 1 . . . . 73 . . . 5365 1 662 . 1 1 86 86 LYS HB2 H 1 1.812 0.01 . 1 . . . . 73 . . . 5365 1 663 . 1 1 86 86 LYS HB3 H 1 1.812 0.01 . 1 . . . . 73 . . . 5365 1 664 . 1 1 86 86 LYS HG2 H 1 1.402 0.01 . 2 . . . . 73 . . . 5365 1 665 . 1 1 86 86 LYS HG3 H 1 1.320 0.01 . 2 . . . . 73 . . . 5365 1 666 . 1 1 86 86 LYS HD2 H 1 1.783 0.01 . 1 . . . . 73 . . . 5365 1 667 . 1 1 86 86 LYS HD3 H 1 1.783 0.01 . 1 . . . . 73 . . . 5365 1 668 . 1 1 86 86 LYS HE2 H 1 2.902 0.01 . 1 . . . . 73 . . . 5365 1 669 . 1 1 86 86 LYS HE3 H 1 2.902 0.01 . 1 . . . . 73 . . . 5365 1 670 . 1 1 86 86 LYS CA C 13 53.906 0.1 . 1 . . . . 73 . . . 5365 1 671 . 1 1 86 86 LYS CB C 13 31.026 0.1 . 1 . . . . 73 . . . 5365 1 672 . 1 1 86 86 LYS N N 15 119.278 0.1 . 1 . . . . 73 . . . 5365 1 673 . 1 1 87 87 GLY H H 1 8.195 0.01 . 1 . . . . 74 . . . 5365 1 674 . 1 1 87 87 GLY HA2 H 1 3.932 0.01 . 1 . . . . 74 . . . 5365 1 675 . 1 1 87 87 GLY HA3 H 1 4.025 0.01 . 1 . . . . 74 . . . 5365 1 676 . 1 1 87 87 GLY CA C 13 42.550 0.1 . 1 . . . . 74 . . . 5365 1 677 . 1 1 87 87 GLY N N 15 108.290 0.1 . 1 . . . . 74 . . . 5365 1 678 . 1 1 88 88 SER H H 1 8.064 0.01 . 1 . . . . 75 . . . 5365 1 679 . 1 1 88 88 SER HA H 1 4.441 0.01 . 1 . . . . 75 . . . 5365 1 680 . 1 1 88 88 SER HB2 H 1 3.304 0.01 . 2 . . . . 75 . . . 5365 1 681 . 1 1 88 88 SER HB3 H 1 3.492 0.01 . 2 . . . . 75 . . . 5365 1 682 . 1 1 88 88 SER CA C 13 56.265 0.1 . 1 . . . . 75 . . . 5365 1 683 . 1 1 88 88 SER CB C 13 62.173 0.1 . 1 . . . . 75 . . . 5365 1 684 . 1 1 88 88 SER N N 15 114.602 0.1 . 1 . . . . 75 . . . 5365 1 685 . 1 1 89 89 PHE H H 1 8.661 0.01 . 1 . . . . 76 . . . 5365 1 686 . 1 1 89 89 PHE HA H 1 4.434 0.01 . 1 . . . . 76 . . . 5365 1 687 . 1 1 89 89 PHE HB2 H 1 2.658 0.01 . 1 . . . . 76 . . . 5365 1 688 . 1 1 89 89 PHE HD1 H 1 6.919 0.01 . 1 . . . . 76 . . . 5365 1 689 . 1 1 89 89 PHE HD2 H 1 6.919 0.01 . 1 . . . . 76 . . . 5365 1 690 . 1 1 89 89 PHE HE1 H 1 7.358 0.01 . 1 . . . . 76 . . . 5365 1 691 . 1 1 89 89 PHE HE2 H 1 7.358 0.01 . 1 . . . . 76 . . . 5365 1 692 . 1 1 89 89 PHE CA C 13 55.705 0.1 . 1 . . . . 76 . . . 5365 1 693 . 1 1 89 89 PHE CB C 13 39.886 0.1 . 1 . . . . 76 . . . 5365 1 694 . 1 1 89 89 PHE N N 15 119.959 0.1 . 1 . . . . 76 . . . 5365 1 695 . 1 1 90 90 TRP H H 1 8.918 0.01 . 1 . . . . 77 . . . 5365 1 696 . 1 1 90 90 TRP HA H 1 5.260 0.01 . 1 . . . . 77 . . . 5365 1 697 . 1 1 90 90 TRP HB2 H 1 2.875 0.01 . 1 . . . . 77 . . . 5365 1 698 . 1 1 90 90 TRP HD1 H 1 6.918 0.01 . 1 . . . . 77 . . . 5365 1 699 . 1 1 90 90 TRP HE1 H 1 9.711 0.01 . 1 . . . . 77 . . . 5365 1 700 . 1 1 90 90 TRP HE3 H 1 7.351 0.01 . 1 . . . . 77 . . . 5365 1 701 . 1 1 90 90 TRP HZ2 H 1 7.305 0.01 . 1 . . . . 77 . . . 5365 1 702 . 1 1 90 90 TRP HH2 H 1 7.019 0.01 . 1 . . . . 77 . . . 5365 1 703 . 1 1 90 90 TRP CA C 13 54.229 0.1 . 1 . . . . 77 . . . 5365 1 704 . 1 1 90 90 TRP CB C 13 29.295 0.1 . 1 . . . . 77 . . . 5365 1 705 . 1 1 90 90 TRP N N 15 120.512 0.1 . 1 . . . . 77 . . . 5365 1 706 . 1 1 91 91 ARG H H 1 9.334 0.01 . 1 . . . . 78 . . . 5365 1 707 . 1 1 91 91 ARG HA H 1 5.060 0.01 . 1 . . . . 78 . . . 5365 1 708 . 1 1 91 91 ARG HB2 H 1 1.840 0.01 . 2 . . . . 78 . . . 5365 1 709 . 1 1 91 91 ARG HB3 H 1 2.030 0.01 . 2 . . . . 78 . . . 5365 1 710 . 1 1 91 91 ARG HG2 H 1 1.414 0.01 . 1 . . . . 78 . . . 5365 1 711 . 1 1 91 91 ARG HG3 H 1 1.608 0.01 . 1 . . . . 78 . . . 5365 1 712 . 1 1 91 91 ARG HD2 H 1 3.127 0.01 . 1 . . . . 78 . . . 5365 1 713 . 1 1 91 91 ARG HD3 H 1 3.192 0.01 . 1 . . . . 78 . . . 5365 1 714 . 1 1 91 91 ARG HE H 1 7.112 0.01 . 1 . . . . 78 . . . 5365 1 715 . 1 1 91 91 ARG CA C 13 51.970 0.1 . 1 . . . . 78 . . . 5365 1 716 . 1 1 91 91 ARG CB C 13 32.960 0.1 . 1 . . . . 78 . . . 5365 1 717 . 1 1 91 91 ARG N N 15 117.806 0.1 . 1 . . . . 78 . . . 5365 1 718 . 1 1 92 92 ILE H H 1 9.337 0.01 . 1 . . . . 79 . . . 5365 1 719 . 1 1 92 92 ILE HA H 1 4.760 0.01 . 1 . . . . 79 . . . 5365 1 720 . 1 1 92 92 ILE HB H 1 1.598 0.01 . 1 . . . . 79 . . . 5365 1 721 . 1 1 92 92 ILE HG12 H 1 0.953 0.01 . 1 . . . . 79 . . . 5365 1 722 . 1 1 92 92 ILE HG21 H 1 1.035 0.01 . 1 . . . . 79 . . . 5365 1 723 . 1 1 92 92 ILE HG22 H 1 1.035 0.01 . 1 . . . . 79 . . . 5365 1 724 . 1 1 92 92 ILE HG23 H 1 1.035 0.01 . 1 . . . . 79 . . . 5365 1 725 . 1 1 92 92 ILE CA C 13 58.173 0.1 . 1 . . . . 79 . . . 5365 1 726 . 1 1 92 92 ILE CB C 13 36.949 0.1 . 1 . . . . 79 . . . 5365 1 727 . 1 1 92 92 ILE N N 15 120.548 0.1 . 1 . . . . 79 . . . 5365 1 728 . 1 1 93 93 ASP H H 1 8.977 0.01 . 1 . . . . 80 . . . 5365 1 729 . 1 1 93 93 ASP HA H 1 4.492 0.01 . 1 . . . . 80 . . . 5365 1 730 . 1 1 93 93 ASP HB2 H 1 2.678 0.01 . 1 . . . . 80 . . . 5365 1 731 . 1 1 93 93 ASP CA C 13 50.450 0.1 . 1 . . . . 80 . . . 5365 1 732 . 1 1 93 93 ASP CB C 13 40.667 0.1 . 1 . . . . 80 . . . 5365 1 733 . 1 1 93 93 ASP N N 15 127.885 0.1 . 1 . . . . 80 . . . 5365 1 734 . 1 1 94 94 PRO HA H 1 4.361 0.01 . 1 . . . . 81 . . . 5365 1 735 . 1 1 94 94 PRO HB2 H 1 2.431 0.01 . 1 . . . . 81 . . . 5365 1 736 . 1 1 94 94 PRO HB3 H 1 2.431 0.01 . 1 . . . . 81 . . . 5365 1 737 . 1 1 94 94 PRO CA C 13 62.989 0.1 . 1 . . . . 81 . . . 5365 1 738 . 1 1 94 94 PRO CB C 13 29.900 0.1 . 1 . . . . 81 . . . 5365 1 739 . 1 1 95 95 ALA H H 1 8.321 0.01 . 1 . . . . 82 . . . 5365 1 740 . 1 1 95 95 ALA HA H 1 4.252 0.01 . 1 . . . . 82 . . . 5365 1 741 . 1 1 95 95 ALA HB1 H 1 1.478 0.01 . 1 . . . . 82 . . . 5365 1 742 . 1 1 95 95 ALA HB2 H 1 1.478 0.01 . 1 . . . . 82 . . . 5365 1 743 . 1 1 95 95 ALA HB3 H 1 1.478 0.01 . 1 . . . . 82 . . . 5365 1 744 . 1 1 95 95 ALA CA C 13 52.072 0.1 . 1 . . . . 82 . . . 5365 1 745 . 1 1 95 95 ALA CB C 13 16.094 0.1 . 1 . . . . 82 . . . 5365 1 746 . 1 1 95 95 ALA N N 15 119.126 0.1 . 1 . . . . 82 . . . 5365 1 747 . 1 1 96 96 SER H H 1 7.664 0.01 . 1 . . . . 83 . . . 5365 1 748 . 1 1 96 96 SER HA H 1 4.647 0.01 . 1 . . . . 83 . . . 5365 1 749 . 1 1 96 96 SER HB2 H 1 3.582 0.01 . 2 . . . . 83 . . . 5365 1 750 . 1 1 96 96 SER HB3 H 1 3.783 0.01 . 2 . . . . 83 . . . 5365 1 751 . 1 1 96 96 SER CA C 13 56.097 0.1 . 1 . . . . 83 . . . 5365 1 752 . 1 1 96 96 SER CB C 13 62.512 0.1 . 1 . . . . 83 . . . 5365 1 753 . 1 1 96 96 SER N N 15 111.162 0.1 . 1 . . . . 83 . . . 5365 1 754 . 1 1 97 97 GLU H H 1 7.403 0.01 . 1 . . . . 84 . . . 5365 1 755 . 1 1 97 97 GLU HA H 1 3.604 0.01 . 1 . . . . 84 . . . 5365 1 756 . 1 1 97 97 GLU HB2 H 1 1.982 0.01 . 2 . . . . 84 . . . 5365 1 757 . 1 1 97 97 GLU HB3 H 1 2.055 0.01 . 2 . . . . 84 . . . 5365 1 758 . 1 1 97 97 GLU HG2 H 1 1.729 0.01 . 2 . . . . 84 . . . 5365 1 759 . 1 1 97 97 GLU CA C 13 58.644 0.1 . 1 . . . . 84 . . . 5365 1 760 . 1 1 97 97 GLU CB C 13 28.592 0.1 . 1 . . . . 84 . . . 5365 1 761 . 1 1 97 97 GLU N N 15 121.589 0.1 . 1 . . . . 84 . . . 5365 1 762 . 1 1 98 98 ALA H H 1 8.721 0.01 . 1 . . . . 85 . . . 5365 1 763 . 1 1 98 98 ALA HA H 1 4.008 0.01 . 1 . . . . 85 . . . 5365 1 764 . 1 1 98 98 ALA HB1 H 1 1.390 0.01 . 1 . . . . 85 . . . 5365 1 765 . 1 1 98 98 ALA HB2 H 1 1.390 0.01 . 1 . . . . 85 . . . 5365 1 766 . 1 1 98 98 ALA HB3 H 1 1.390 0.01 . 1 . . . . 85 . . . 5365 1 767 . 1 1 98 98 ALA CA C 13 53.605 0.1 . 1 . . . . 85 . . . 5365 1 768 . 1 1 98 98 ALA CB C 13 15.135 0.1 . 1 . . . . 85 . . . 5365 1 769 . 1 1 98 98 ALA N N 15 119.396 0.1 . 1 . . . . 85 . . . 5365 1 770 . 1 1 99 99 LYS H H 1 7.965 0.01 . 1 . . . . 86 . . . 5365 1 771 . 1 1 99 99 LYS HA H 1 4.087 0.01 . 1 . . . . 86 . . . 5365 1 772 . 1 1 99 99 LYS HB2 H 1 1.734 0.01 . 2 . . . . 86 . . . 5365 1 773 . 1 1 99 99 LYS HB3 H 1 1.811 0.01 . 2 . . . . 86 . . . 5365 1 774 . 1 1 99 99 LYS HG2 H 1 1.390 0.01 . 2 . . . . 86 . . . 5365 1 775 . 1 1 99 99 LYS HG3 H 1 1.457 0.01 . 2 . . . . 86 . . . 5365 1 776 . 1 1 99 99 LYS HD2 H 1 1.635 0.01 . 1 . . . . 86 . . . 5365 1 777 . 1 1 99 99 LYS HD3 H 1 1.635 0.01 . 1 . . . . 86 . . . 5365 1 778 . 1 1 99 99 LYS HE2 H 1 2.918 0.01 . 1 . . . . 86 . . . 5365 1 779 . 1 1 99 99 LYS HE3 H 1 2.918 0.01 . 1 . . . . 86 . . . 5365 1 780 . 1 1 99 99 LYS CA C 13 55.879 0.1 . 1 . . . . 86 . . . 5365 1 781 . 1 1 99 99 LYS CB C 13 29.622 0.1 . 1 . . . . 86 . . . 5365 1 782 . 1 1 99 99 LYS N N 15 117.301 0.01 . 1 . . . . 86 . . . 5365 1 783 . 1 1 100 100 LEU H H 1 7.868 0.01 . 1 . . . . 87 . . . 5365 1 784 . 1 1 100 100 LEU HA H 1 3.902 0.01 . 1 . . . . 87 . . . 5365 1 785 . 1 1 100 100 LEU HB2 H 1 1.149 0.01 . 2 . . . . 87 . . . 5365 1 786 . 1 1 100 100 LEU HB3 H 1 1.628 0.01 . 2 . . . . 87 . . . 5365 1 787 . 1 1 100 100 LEU HG H 1 1.362 0.01 . 1 . . . . 87 . . . 5365 1 788 . 1 1 100 100 LEU HD11 H 1 0.107 0.01 . 2 . . . . 87 . . . 5365 1 789 . 1 1 100 100 LEU HD12 H 1 0.107 0.01 . 2 . . . . 87 . . . 5365 1 790 . 1 1 100 100 LEU HD13 H 1 0.107 0.01 . 2 . . . . 87 . . . 5365 1 791 . 1 1 100 100 LEU HD21 H 1 0.223 0.01 . 2 . . . . 87 . . . 5365 1 792 . 1 1 100 100 LEU HD22 H 1 0.223 0.01 . 2 . . . . 87 . . . 5365 1 793 . 1 1 100 100 LEU HD23 H 1 0.223 0.01 . 2 . . . . 87 . . . 5365 1 794 . 1 1 100 100 LEU CA C 13 55.481 0.1 . 1 . . . . 87 . . . 5365 1 795 . 1 1 100 100 LEU CB C 13 39.513 0.1 . 1 . . . . 87 . . . 5365 1 796 . 1 1 100 100 LEU N N 15 118.781 0.1 . 1 . . . . 87 . . . 5365 1 797 . 1 1 101 101 VAL H H 1 8.816 0.01 . 1 . . . . 88 . . . 5365 1 798 . 1 1 101 101 VAL HA H 1 3.442 0.01 . 1 . . . . 88 . . . 5365 1 799 . 1 1 101 101 VAL HB H 1 2.125 0.01 . 1 . . . . 88 . . . 5365 1 800 . 1 1 101 101 VAL HG11 H 1 0.986 0.01 . 1 . . . . 88 . . . 5365 1 801 . 1 1 101 101 VAL HG12 H 1 0.986 0.01 . 1 . . . . 88 . . . 5365 1 802 . 1 1 101 101 VAL HG13 H 1 0.986 0.01 . 1 . . . . 88 . . . 5365 1 803 . 1 1 101 101 VAL HG21 H 1 1.014 0.01 . 1 . . . . 88 . . . 5365 1 804 . 1 1 101 101 VAL HG22 H 1 1.014 0.01 . 1 . . . . 88 . . . 5365 1 805 . 1 1 101 101 VAL HG23 H 1 1.014 0.01 . 1 . . . . 88 . . . 5365 1 806 . 1 1 101 101 VAL CA C 13 64.885 0.1 . 1 . . . . 88 . . . 5365 1 807 . 1 1 101 101 VAL CB C 13 29.147 0.1 . 1 . . . . 88 . . . 5365 1 808 . 1 1 101 101 VAL N N 15 120.156 0.1 . 1 . . . . 88 . . . 5365 1 809 . 1 1 102 102 GLU H H 1 7.621 0.1 . 1 . . . . 89 . . . 5365 1 810 . 1 1 102 102 GLU HA H 1 4.108 0.01 . 1 . . . . 89 . . . 5365 1 811 . 1 1 102 102 GLU HB2 H 1 2.180 0.01 . 1 . . . . 89 . . . 5365 1 812 . 1 1 102 102 GLU HG2 H 1 2.261 0.01 . 2 . . . . 89 . . . 5365 1 813 . 1 1 102 102 GLU HG3 H 1 2.412 0.01 . 2 . . . . 89 . . . 5365 1 814 . 1 1 102 102 GLU CA C 13 57.044 0.1 . 1 . . . . 89 . . . 5365 1 815 . 1 1 102 102 GLU CB C 13 27.279 0.1 . 1 . . . . 89 . . . 5365 1 816 . 1 1 102 102 GLU N N 15 119.323 0.1 . 1 . . . . 89 . . . 5365 1 817 . 1 1 103 103 GLN H H 1 7.437 0.01 . 1 . . . . 90 . . . 5365 1 818 . 1 1 103 103 GLN HA H 1 4.252 0.01 . 1 . . . . 90 . . . 5365 1 819 . 1 1 103 103 GLN HB2 H 1 2.030 0.01 . 2 . . . . 90 . . . 5365 1 820 . 1 1 103 103 GLN HB3 H 1 2.280 0.01 . 2 . . . . 90 . . . 5365 1 821 . 1 1 103 103 GLN HG2 H 1 2.423 0.01 . 2 . . . . 90 . . . 5365 1 822 . 1 1 103 103 GLN HG3 H 1 2.530 0.01 . 2 . . . . 90 . . . 5365 1 823 . 1 1 103 103 GLN HE21 H 1 6.802 0.01 . 2 . . . . 90 . . . 5365 1 824 . 1 1 103 103 GLN HE22 H 1 7.541 0.01 . 2 . . . . 90 . . . 5365 1 825 . 1 1 103 103 GLN CA C 13 54.017 0.1 . 1 . . . . 90 . . . 5365 1 826 . 1 1 103 103 GLN CB C 13 27.089 0.1 . 1 . . . . 90 . . . 5365 1 827 . 1 1 103 103 GLN N N 15 114.207 0.1 . 1 . . . . 90 . . . 5365 1 828 . 1 1 104 104 ALA H H 1 7.893 0.01 . 1 . . . . 91 . . . 5365 1 829 . 1 1 104 104 ALA HA H 1 3.993 0.01 . 1 . . . . 91 . . . 5365 1 830 . 1 1 104 104 ALA HB1 H 1 1.293 0.01 . 1 . . . . 91 . . . 5365 1 831 . 1 1 104 104 ALA HB2 H 1 1.293 0.01 . 1 . . . . 91 . . . 5365 1 832 . 1 1 104 104 ALA HB3 H 1 1.293 0.01 . 1 . . . . 91 . . . 5365 1 833 . 1 1 104 104 ALA CA C 13 53.619 0.1 . 1 . . . . 91 . . . 5365 1 834 . 1 1 104 104 ALA CB C 13 16.666 0.1 . 1 . . . . 91 . . . 5365 1 835 . 1 1 104 104 ALA N N 15 123.301 0.1 . 1 . . . . 91 . . . 5365 1 836 . 1 1 105 105 PHE H H 1 7.952 0.01 . 1 . . . . 92 . . . 5365 1 837 . 1 1 105 105 PHE HA H 1 4.347 0.01 . 1 . . . . 92 . . . 5365 1 838 . 1 1 105 105 PHE HB2 H 1 2.700 0.01 . 2 . . . . 92 . . . 5365 1 839 . 1 1 105 105 PHE HB3 H 1 3.465 0.01 . 2 . . . . 92 . . . 5365 1 840 . 1 1 105 105 PHE HD1 H 1 7.188 0.01 . 1 . . . . 92 . . . 5365 1 841 . 1 1 105 105 PHE HD2 H 1 7.188 0.01 . 1 . . . . 92 . . . 5365 1 842 . 1 1 105 105 PHE HE1 H 1 7.304 0.01 . 1 . . . . 92 . . . 5365 1 843 . 1 1 105 105 PHE HE2 H 1 7.304 0.01 . 1 . . . . 92 . . . 5365 1 844 . 1 1 105 105 PHE CA C 13 55.192 0.1 . 1 . . . . 92 . . . 5365 1 845 . 1 1 105 105 PHE CB C 13 36.632 0.1 . 1 . . . . 92 . . . 5365 1 846 . 1 1 105 105 PHE N N 15 110.887 0.1 . 1 . . . . 92 . . . 5365 1 847 . 1 1 106 106 ARG H H 1 7.396 0.01 . 1 . . . . 93 . . . 5365 1 848 . 1 1 106 106 ARG HA H 1 4.442 0.01 . 1 . . . . 93 . . . 5365 1 849 . 1 1 106 106 ARG HB2 H 1 1.867 0.01 . 1 . . . . 93 . . . 5365 1 850 . 1 1 106 106 ARG HB3 H 1 1.867 0.01 . 1 . . . . 93 . . . 5365 1 851 . 1 1 106 106 ARG HG2 H 1 1.785 0.01 . 2 . . . . 93 . . . 5365 1 852 . 1 1 106 106 ARG HG3 H 1 1.854 0.01 . 2 . . . . 93 . . . 5365 1 853 . 1 1 106 106 ARG HD2 H 1 3.219 0.01 . 2 . . . . 93 . . . 5365 1 854 . 1 1 106 106 ARG HD3 H 1 3.258 0.01 . 2 . . . . 93 . . . 5365 1 855 . 1 1 106 106 ARG HE H 1 7.213 0.01 . 1 . . . . 93 . . . 5365 1 856 . 1 1 106 106 ARG CA C 13 54.043 0.1 . 1 . . . . 93 . . . 5365 1 857 . 1 1 106 106 ARG CB C 13 27.893 0.1 . 1 . . . . 93 . . . 5365 1 858 . 1 1 106 106 ARG N N 15 122.093 0.1 . 1 . . . . 93 . . . 5365 1 859 . 1 1 107 107 LYS H H 1 8.634 0.1 . 1 . . . . 94 . . . 5365 1 860 . 1 1 107 107 LYS HA H 1 4.122 0.01 . 1 . . . . 94 . . . 5365 1 861 . 1 1 107 107 LYS HB2 H 1 1.665 0.01 . 1 . . . . 94 . . . 5365 1 862 . 1 1 107 107 LYS HG2 H 1 1.199 0.01 . 1 . . . . 94 . . . 5365 1 863 . 1 1 107 107 LYS HG3 H 1 1.199 0.01 . 1 . . . . 94 . . . 5365 1 864 . 1 1 107 107 LYS HE2 H 1 3.028 0.01 . 1 . . . . 94 . . . 5365 1 865 . 1 1 107 107 LYS HE3 H 1 3.028 0.01 . 1 . . . . 94 . . . 5365 1 866 . 1 1 107 107 LYS CA C 13 54.522 0.1 . 1 . . . . 94 . . . 5365 1 867 . 1 1 107 107 LYS CB C 13 30.931 0.1 . 1 . . . . 94 . . . 5365 1 868 . 1 1 107 107 LYS N N 15 125.833 0.1 . 1 . . . . 94 . . . 5365 1 869 . 1 1 108 108 ARG H H 1 8.499 0.01 . 1 . . . . 95 . . . 5365 1 870 . 1 1 108 108 ARG HA H 1 4.290 0.01 . 1 . . . . 95 . . . 5365 1 871 . 1 1 108 108 ARG HB2 H 1 1.608 0.01 . 2 . . . . 95 . . . 5365 1 872 . 1 1 108 108 ARG HB3 H 1 1.721 0.01 . 2 . . . . 95 . . . 5365 1 873 . 1 1 108 108 ARG HG2 H 1 1.645 0.01 . 1 . . . . 95 . . . 5365 1 874 . 1 1 108 108 ARG HD2 H 1 3.121 0.01 . 1 . . . . 95 . . . 5365 1 875 . 1 1 108 108 ARG HD3 H 1 3.121 0.01 . 1 . . . . 95 . . . 5365 1 876 . 1 1 108 108 ARG CA C 13 53.964 0.1 . 1 . . . . 95 . . . 5365 1 877 . 1 1 108 108 ARG CB C 13 28.335 0.1 . 1 . . . . 95 . . . 5365 1 878 . 1 1 108 108 ARG N N 15 122.394 0.1 . 1 . . . . 95 . . . 5365 1 879 . 1 1 109 109 ARG H H 1 8.418 0.01 . 1 . . . . 96 . . . 5365 1 880 . 1 1 109 109 ARG HA H 1 4.230 0.01 . 1 . . . . 96 . . . 5365 1 881 . 1 1 109 109 ARG HB2 H 1 1.768 0.02 . 1 . . . . 96 . . . 5365 1 882 . 1 1 109 109 ARG HB3 H 1 1.768 0.02 . 1 . . . . 96 . . . 5365 1 883 . 1 1 109 109 ARG HG2 H 1 1.551 0.01 . 1 . . . . 96 . . . 5365 1 884 . 1 1 109 109 ARG HG3 H 1 1.551 0.01 . 1 . . . . 96 . . . 5365 1 885 . 1 1 109 109 ARG HD2 H 1 3.149 0.01 . 1 . . . . 96 . . . 5365 1 886 . 1 1 109 109 ARG HD3 H 1 3.149 0.01 . 1 . . . . 96 . . . 5365 1 887 . 1 1 109 109 ARG CA C 13 53.856 0.1 . 1 . . . . 96 . . . 5365 1 888 . 1 1 109 109 ARG CB C 13 28.540 0.1 . 1 . . . . 96 . . . 5365 1 889 . 1 1 109 109 ARG N N 15 122.919 0.1 . 1 . . . . 96 . . . 5365 1 890 . 1 1 110 110 GLN H H 1 8.435 0.01 . 1 . . . . 97 . . . 5365 1 891 . 1 1 110 110 GLN HA H 1 4.225 0.01 . 1 . . . . 97 . . . 5365 1 892 . 1 1 110 110 GLN HB2 H 1 1.907 0.01 . 2 . . . . 97 . . . 5365 1 893 . 1 1 110 110 GLN HB3 H 1 2.033 0.01 . 2 . . . . 97 . . . 5365 1 894 . 1 1 110 110 GLN HG2 H 1 2.290 0.01 . 1 . . . . 97 . . . 5365 1 895 . 1 1 110 110 GLN HG3 H 1 2.290 0.01 . 1 . . . . 97 . . . 5365 1 896 . 1 1 110 110 GLN HE21 H 1 6.849 0.01 . 2 . . . . 97 . . . 5365 1 897 . 1 1 110 110 GLN HE22 H 1 7.475 0.01 . 2 . . . . 97 . . . 5365 1 898 . 1 1 110 110 GLN CA C 13 53.592 0.1 . 1 . . . . 97 . . . 5365 1 899 . 1 1 110 110 GLN CB C 13 27.645 0.1 . 1 . . . . 97 . . . 5365 1 900 . 1 1 111 111 ARG H H 1 8.441 0.01 . 1 . . . . 98 . . . 5365 1 901 . 1 1 111 111 ARG HA H 1 4.284 0.01 . 1 . . . . 98 . . . 5365 1 902 . 1 1 111 111 ARG HB2 H 1 1.748 0.01 . 2 . . . . 98 . . . 5365 1 903 . 1 1 111 111 ARG HB3 H 1 1.892 0.01 . 2 . . . . 98 . . . 5365 1 904 . 1 1 111 111 ARG HG2 H 1 1.604 0.01 . 1 . . . . 98 . . . 5365 1 905 . 1 1 111 111 ARG HG3 H 1 1.604 0.01 . 1 . . . . 98 . . . 5365 1 906 . 1 1 111 111 ARG HD2 H 1 3.160 0.01 . 1 . . . . 98 . . . 5365 1 907 . 1 1 111 111 ARG HD3 H 1 3.160 0.01 . 1 . . . . 98 . . . 5365 1 908 . 1 1 111 111 ARG CA C 13 53.821 0.1 . 1 . . . . 98 . . . 5365 1 909 . 1 1 111 111 ARG CB C 13 27.925 0.1 . 1 . . . . 98 . . . 5365 1 910 . 1 1 111 111 ARG N N 15 122.441 0.1 . 1 . . . . 98 . . . 5365 1 911 . 1 1 112 112 GLY H H 1 8.483 0.01 . 1 . . . . 99 . . . 5365 1 912 . 1 1 112 112 GLY HA2 H 1 3.971 0.01 . 1 . . . . 99 . . . 5365 1 913 . 1 1 112 112 GLY HA3 H 1 3.971 0.01 . 1 . . . . 99 . . . 5365 1 914 . 1 1 112 112 GLY CA C 13 43.186 0.1 . 1 . . . . 99 . . . 5365 1 915 . 1 1 112 112 GLY N N 15 110.229 0.1 . 1 . . . . 99 . . . 5365 1 916 . 1 1 113 113 VAL H H 1 7.970 0.01 . 1 . . . . 100 . . . 5365 1 917 . 1 1 113 113 VAL HA H 1 4.199 0.01 . 1 . . . . 100 . . . 5365 1 918 . 1 1 113 113 VAL HB H 1 2.108 0.01 . 1 . . . . 100 . . . 5365 1 919 . 1 1 113 113 VAL HG11 H 1 0.870 0.01 . 2 . . . . 100 . . . 5365 1 920 . 1 1 113 113 VAL HG12 H 1 0.870 0.01 . 2 . . . . 100 . . . 5365 1 921 . 1 1 113 113 VAL HG13 H 1 0.870 0.01 . 2 . . . . 100 . . . 5365 1 922 . 1 1 113 113 VAL HG21 H 1 1.168 0.01 . 2 . . . . 100 . . . 5365 1 923 . 1 1 113 113 VAL HG22 H 1 1.168 0.01 . 2 . . . . 100 . . . 5365 1 924 . 1 1 113 113 VAL HG23 H 1 1.168 0.01 . 2 . . . . 100 . . . 5365 1 925 . 1 1 113 113 VAL CA C 13 59.830 0.1 . 1 . . . . 100 . . . 5365 1 926 . 1 1 113 113 VAL CB C 13 30.645 0.1 . 1 . . . . 100 . . . 5365 1 927 . 1 1 113 113 VAL N N 15 118.587 0.1 . 1 . . . . 100 . . . 5365 1 928 . 1 1 114 114 SER H H 1 7.992 0.01 . 1 . . . . 101 . . . 5365 1 929 . 1 1 114 114 SER HA H 1 4.335 0.01 . 1 . . . . 101 . . . 5365 1 930 . 1 1 114 114 SER HB2 H 1 3.817 0.01 . 1 . . . . 101 . . . 5365 1 931 . 1 1 114 114 SER HB3 H 1 3.817 0.01 . 1 . . . . 101 . . . 5365 1 932 . 1 1 114 114 SER CA C 13 57.834 0.1 . 1 . . . . 101 . . . 5365 1 933 . 1 1 114 114 SER CB C 13 62.717 0.1 . 1 . . . . 101 . . . 5365 1 934 . 1 1 114 114 SER N N 15 124.272 0.1 . 1 . . . . 101 . . . 5365 1 stop_ save_