data_5107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5107 _Entry.Title ; Assignments of the 1H, 13C, and 15N resonances of the substrate-binding SSD domain from Lon protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-15 _Entry.Accession_date 2001-08-15 _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 Catherine Smith . K. . 5107 2 Jens Wohnert . . . 5107 3 Robert Sauer . T. . 5107 4 Harald Schwalbe . . . 5107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 661 5107 '13C chemical shifts' 421 5107 '15N chemical shifts' 98 5107 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-09-12 . update author 'Correction of 3 chemical shifts' 5107 2 . . 2001-08-28 . original author 'Original release' 5107 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5107 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21682385 _Citation.DOI . _Citation.PubMed_ID 11824761 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignments of the 1H, 13C, and 15N resonances of the substrate-binding SSD domain from Lon protease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 387 _Citation.Page_last 388 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Catherine Smith . K. . 5107 1 2 Jens Wohnert . . . 5107 1 3 Robert Sauer . T. . 5107 1 4 Harald Schwalbe . . . 5107 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Heteronuclear NMR' 5107 1 'Resonance assignment' 5107 1 'Lon protease' 5107 1 'Clp/Hsp100 family' 5107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Lon_SSD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Lon_SSD _Assembly.Entry_ID 5107 _Assembly.ID 1 _Assembly.Name 'Sensor and Substrate Binding Domain from Lon (La) Protease (E. coli)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.4.21.53 _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 5107 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 'Lon SSD' 1 $Lon_SSD . . . native . . . . . 5107 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sensor and Substrate Binding Domain from Lon (La) Protease (E. coli)' system 5107 1 'Lon SSD' abbreviation 5107 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'substrate binding' 5107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lon_SSD _Entity.Sf_category entity _Entity.Sf_framecode Lon_SSD _Entity.Entry_ID 5107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Lon (La) protease SSD' _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 ; MRLSGYTEDEKLNIAKRHLL PKQIERNALKKGELTVDDSA IIGIIRYYTREAGVRGLERE ISKLCRKAVKQLLLDKSLKH IEINGDNLHDYLGVQRFDYG R ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11710 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1QZM . "Alpha-Domain Of Atpase" . . . . . 93.07 94 100.00 100.00 3.91e-59 . . . . 5107 1 2 no DBJ BAB33916 . "endopeptidase La [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 784 99.01 100.00 8.82e-60 . . . . 5107 1 3 no DBJ BAE76219 . "DNA-binding ATP-dependent protease La [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 4 no DBJ BAG75989 . "ATP-dependent protease [Escherichia coli SE11]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 5 no DBJ BAH62055 . "DNA-binding ATP-dependent protease La/heat shock K-protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 820 97.03 99.01 4.12e-58 . . . . 5107 1 6 no DBJ BAI23813 . "DNA-binding ATP-dependent protease La [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 7 no EMBL CAD08909 . "Lon protease [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 784 98.02 99.01 5.58e-59 . . . . 5107 1 8 no EMBL CAP74973 . "ATP-dependent protease La [Escherichia coli LF82]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 9 no EMBL CAQ30912 . "DNA-binding, ATP-dependent protease La [Escherichia coli BL21(DE3)]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 10 no EMBL CAQ90073 . "DNA-binding ATP-dependent protease La [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 784 99.01 100.00 1.00e-59 . . . . 5107 1 11 no EMBL CAQ97315 . "DNA-binding ATP-dependent protease La [Escherichia coli IAI1]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 12 no GB AAA16837 . "ATP-dependent protease [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 784 99.01 100.00 1.13e-59 . . . . 5107 1 13 no GB AAA24079 . "ATP-dependent proteinase (lon) [Escherichia coli]" . . . . . 100.00 797 99.01 100.00 1.16e-59 . . . . 5107 1 14 no GB AAB40195 . "ATP-dependent protease LA [Escherichia coli]" . . . . . 100.00 799 99.01 100.00 8.47e-60 . . . . 5107 1 15 no GB AAC36871 . "lon protease [Escherichia coli]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 16 no GB AAC73542 . "DNA-binding ATP-dependent protease La [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 17 no PIR AE0558 . "Lon protease [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 784 98.02 99.01 5.58e-59 . . . . 5107 1 18 no PRF 2004285A . "lon protease" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 19 no REF NP_286181 . "DNA-binding ATP-dependent protease La [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 799 99.01 100.00 7.75e-60 . . . . 5107 1 20 no REF NP_308520 . "DNA-binding ATP-dependent protease La [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 784 99.01 100.00 8.82e-60 . . . . 5107 1 21 no REF NP_414973 . "DNA-binding ATP-dependent protease La [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 22 no REF NP_455047 . "Lon protease [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 784 98.02 99.01 5.58e-59 . . . . 5107 1 23 no REF NP_459446 . "Lon protease [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 784 98.02 99.01 5.36e-59 . . . . 5107 1 24 no SP P0A9M0 . "RecName: Full=Lon protease; AltName: Full=ATP-dependent protease La [Escherichia coli K-12]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 25 no SP P0A9M1 . "RecName: Full=Lon protease; AltName: Full=ATP-dependent protease La [Escherichia coli CFT073]" . . . . . 100.00 784 99.01 100.00 8.91e-60 . . . . 5107 1 26 no SP Q32JJ5 . "RecName: Full=Lon protease; AltName: Full=ATP-dependent protease La [Shigella dysenteriae Sd197]" . . . . . 100.00 812 99.01 100.00 9.30e-60 . . . . 5107 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Lon (La) protease SSD' common 5107 1 'Lon SSD' abbreviation 5107 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5107 1 2 . ARG . 5107 1 3 . LEU . 5107 1 4 . SER . 5107 1 5 . GLY . 5107 1 6 . TYR . 5107 1 7 . THR . 5107 1 8 . GLU . 5107 1 9 . ASP . 5107 1 10 . GLU . 5107 1 11 . LYS . 5107 1 12 . LEU . 5107 1 13 . ASN . 5107 1 14 . ILE . 5107 1 15 . ALA . 5107 1 16 . LYS . 5107 1 17 . ARG . 5107 1 18 . HIS . 5107 1 19 . LEU . 5107 1 20 . LEU . 5107 1 21 . PRO . 5107 1 22 . LYS . 5107 1 23 . GLN . 5107 1 24 . ILE . 5107 1 25 . GLU . 5107 1 26 . ARG . 5107 1 27 . ASN . 5107 1 28 . ALA . 5107 1 29 . LEU . 5107 1 30 . LYS . 5107 1 31 . LYS . 5107 1 32 . GLY . 5107 1 33 . GLU . 5107 1 34 . LEU . 5107 1 35 . THR . 5107 1 36 . VAL . 5107 1 37 . ASP . 5107 1 38 . ASP . 5107 1 39 . SER . 5107 1 40 . ALA . 5107 1 41 . ILE . 5107 1 42 . ILE . 5107 1 43 . GLY . 5107 1 44 . ILE . 5107 1 45 . ILE . 5107 1 46 . ARG . 5107 1 47 . TYR . 5107 1 48 . TYR . 5107 1 49 . THR . 5107 1 50 . ARG . 5107 1 51 . GLU . 5107 1 52 . ALA . 5107 1 53 . GLY . 5107 1 54 . VAL . 5107 1 55 . ARG . 5107 1 56 . GLY . 5107 1 57 . LEU . 5107 1 58 . GLU . 5107 1 59 . ARG . 5107 1 60 . GLU . 5107 1 61 . ILE . 5107 1 62 . SER . 5107 1 63 . LYS . 5107 1 64 . LEU . 5107 1 65 . CYS . 5107 1 66 . ARG . 5107 1 67 . LYS . 5107 1 68 . ALA . 5107 1 69 . VAL . 5107 1 70 . LYS . 5107 1 71 . GLN . 5107 1 72 . LEU . 5107 1 73 . LEU . 5107 1 74 . LEU . 5107 1 75 . ASP . 5107 1 76 . LYS . 5107 1 77 . SER . 5107 1 78 . LEU . 5107 1 79 . LYS . 5107 1 80 . HIS . 5107 1 81 . ILE . 5107 1 82 . GLU . 5107 1 83 . ILE . 5107 1 84 . ASN . 5107 1 85 . GLY . 5107 1 86 . ASP . 5107 1 87 . ASN . 5107 1 88 . LEU . 5107 1 89 . HIS . 5107 1 90 . ASP . 5107 1 91 . TYR . 5107 1 92 . LEU . 5107 1 93 . GLY . 5107 1 94 . VAL . 5107 1 95 . GLN . 5107 1 96 . ARG . 5107 1 97 . PHE . 5107 1 98 . ASP . 5107 1 99 . TYR . 5107 1 100 . GLY . 5107 1 101 . ARG . 5107 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5107 1 . ARG 2 2 5107 1 . LEU 3 3 5107 1 . SER 4 4 5107 1 . GLY 5 5 5107 1 . TYR 6 6 5107 1 . THR 7 7 5107 1 . GLU 8 8 5107 1 . ASP 9 9 5107 1 . GLU 10 10 5107 1 . LYS 11 11 5107 1 . LEU 12 12 5107 1 . ASN 13 13 5107 1 . ILE 14 14 5107 1 . ALA 15 15 5107 1 . LYS 16 16 5107 1 . ARG 17 17 5107 1 . HIS 18 18 5107 1 . LEU 19 19 5107 1 . LEU 20 20 5107 1 . PRO 21 21 5107 1 . LYS 22 22 5107 1 . GLN 23 23 5107 1 . ILE 24 24 5107 1 . GLU 25 25 5107 1 . ARG 26 26 5107 1 . ASN 27 27 5107 1 . ALA 28 28 5107 1 . LEU 29 29 5107 1 . LYS 30 30 5107 1 . LYS 31 31 5107 1 . GLY 32 32 5107 1 . GLU 33 33 5107 1 . LEU 34 34 5107 1 . THR 35 35 5107 1 . VAL 36 36 5107 1 . ASP 37 37 5107 1 . ASP 38 38 5107 1 . SER 39 39 5107 1 . ALA 40 40 5107 1 . ILE 41 41 5107 1 . ILE 42 42 5107 1 . GLY 43 43 5107 1 . ILE 44 44 5107 1 . ILE 45 45 5107 1 . ARG 46 46 5107 1 . TYR 47 47 5107 1 . TYR 48 48 5107 1 . THR 49 49 5107 1 . ARG 50 50 5107 1 . GLU 51 51 5107 1 . ALA 52 52 5107 1 . GLY 53 53 5107 1 . VAL 54 54 5107 1 . ARG 55 55 5107 1 . GLY 56 56 5107 1 . LEU 57 57 5107 1 . GLU 58 58 5107 1 . ARG 59 59 5107 1 . GLU 60 60 5107 1 . ILE 61 61 5107 1 . SER 62 62 5107 1 . LYS 63 63 5107 1 . LEU 64 64 5107 1 . CYS 65 65 5107 1 . ARG 66 66 5107 1 . LYS 67 67 5107 1 . ALA 68 68 5107 1 . VAL 69 69 5107 1 . LYS 70 70 5107 1 . GLN 71 71 5107 1 . LEU 72 72 5107 1 . LEU 73 73 5107 1 . LEU 74 74 5107 1 . ASP 75 75 5107 1 . LYS 76 76 5107 1 . SER 77 77 5107 1 . LEU 78 78 5107 1 . LYS 79 79 5107 1 . HIS 80 80 5107 1 . ILE 81 81 5107 1 . GLU 82 82 5107 1 . ILE 83 83 5107 1 . ASN 84 84 5107 1 . GLY 85 85 5107 1 . ASP 86 86 5107 1 . ASN 87 87 5107 1 . LEU 88 88 5107 1 . HIS 89 89 5107 1 . ASP 90 90 5107 1 . TYR 91 91 5107 1 . LEU 92 92 5107 1 . GLY 93 93 5107 1 . VAL 94 94 5107 1 . GLN 95 95 5107 1 . ARG 96 96 5107 1 . PHE 97 97 5107 1 . ASP 98 98 5107 1 . TYR 99 99 5107 1 . GLY 100 100 5107 1 . ARG 101 101 5107 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 5107 _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 $Lon_SSD . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 5107 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 5107 _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 $Lon_SSD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pLysS . . . . . . 5107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5107 _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 'Lon (La) protease SSD' [U-15N] . . 1 $Lon_SSD . . 3.0 . . mM . . . . 5107 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5107 _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 'Lon (La) protease SSD' '[U-15N; U-13C]' . . 1 $Lon_SSD . . 3.0 . . mM . . . . 5107 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5107 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 5.3 0.1 n/a 5107 1 temperature 298 1 K 5107 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 5107 _Software.ID 1 _Software.Name NMRpipe _Software.Version 1.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 5107 1 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 5107 _Software.ID 2 _Software.Name nmrView _Software.Version 1.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analyzing spectra' 5107 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5107 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5107 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian UnityInova . 750 . . . 5107 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5107 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 5107 _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 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 2 '13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 3 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 7 HCC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 8 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 1 9 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5107 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 5107 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5107 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '13C 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 5107 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5107 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5107 _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 5107 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5107 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCC(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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5107 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CC(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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5107 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5107 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5107 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5107 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5107 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 5107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5107 1 . . 2 $sample_2 . 5107 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.117 0.03 . 1 . . . . . . . . 5107 1 2 . 1 1 1 1 MET HB2 H 1 2.098 0.03 . 2 . . . . . . . . 5107 1 3 . 1 1 1 1 MET HG2 H 1 2.572 0.03 . 2 . . . . . . . . 5107 1 4 . 1 1 1 1 MET HG3 H 1 2.405 0.03 . 2 . . . . . . . . 5107 1 5 . 1 1 1 1 MET HE1 H 1 2.633 0.03 . 1 . . . . . . . . 5107 1 6 . 1 1 1 1 MET HE2 H 1 2.633 0.03 . 1 . . . . . . . . 5107 1 7 . 1 1 1 1 MET HE3 H 1 2.633 0.03 . 1 . . . . . . . . 5107 1 8 . 1 1 1 1 MET CA C 13 54.860 0.08 . 1 . . . . . . . . 5107 1 9 . 1 1 1 1 MET CB C 13 32.850 0.08 . 1 . . . . . . . . 5107 1 10 . 1 1 1 1 MET CG C 13 30.428 0.08 . 1 . . . . . . . . 5107 1 11 . 1 1 1 1 MET CE C 13 17.902 0.08 . 1 . . . . . . . . 5107 1 12 . 1 1 2 2 ARG H H 1 8.713 0.03 . 1 . . . . . . . . 5107 1 13 . 1 1 2 2 ARG HA H 1 4.390 0.03 . 1 . . . . . . . . 5107 1 14 . 1 1 2 2 ARG HB2 H 1 1.808 0.03 . 2 . . . . . . . . 5107 1 15 . 1 1 2 2 ARG HG2 H 1 1.596 0.03 . 2 . . . . . . . . 5107 1 16 . 1 1 2 2 ARG HG3 H 1 1.531 0.03 . 2 . . . . . . . . 5107 1 17 . 1 1 2 2 ARG HD2 H 1 3.171 0.03 . 2 . . . . . . . . 5107 1 18 . 1 1 2 2 ARG HD3 H 1 3.133 0.03 . 2 . . . . . . . . 5107 1 19 . 1 1 2 2 ARG CA C 13 56.009 0.08 . 1 . . . . . . . . 5107 1 20 . 1 1 2 2 ARG CB C 13 30.904 0.08 . 1 . . . . . . . . 5107 1 21 . 1 1 2 2 ARG CG C 13 27.056 0.08 . 1 . . . . . . . . 5107 1 22 . 1 1 2 2 ARG CD C 13 43.215 0.08 . 1 . . . . . . . . 5107 1 23 . 1 1 2 2 ARG N N 15 124.738 0.08 . 1 . . . . . . . . 5107 1 24 . 1 1 3 3 LEU H H 1 8.596 0.03 . 1 . . . . . . . . 5107 1 25 . 1 1 3 3 LEU HA H 1 4.313 0.03 . 1 . . . . . . . . 5107 1 26 . 1 1 3 3 LEU HB2 H 1 1.629 0.03 . 2 . . . . . . . . 5107 1 27 . 1 1 3 3 LEU HB3 H 1 1.568 0.03 . 2 . . . . . . . . 5107 1 28 . 1 1 3 3 LEU HG H 1 1.621 0.03 . 1 . . . . . . . . 5107 1 29 . 1 1 3 3 LEU HD11 H 1 0.895 0.03 . 1 . . . . . . . . 5107 1 30 . 1 1 3 3 LEU HD12 H 1 0.895 0.03 . 1 . . . . . . . . 5107 1 31 . 1 1 3 3 LEU HD13 H 1 0.895 0.03 . 1 . . . . . . . . 5107 1 32 . 1 1 3 3 LEU HD21 H 1 0.850 0.03 . 1 . . . . . . . . 5107 1 33 . 1 1 3 3 LEU HD22 H 1 0.850 0.03 . 1 . . . . . . . . 5107 1 34 . 1 1 3 3 LEU HD23 H 1 0.850 0.03 . 1 . . . . . . . . 5107 1 35 . 1 1 3 3 LEU C C 13 176.180 0.08 . 1 . . . . . . . . 5107 1 36 . 1 1 3 3 LEU CA C 13 55.849 0.08 . 1 . . . . . . . . 5107 1 37 . 1 1 3 3 LEU CB C 13 42.209 0.08 . 1 . . . . . . . . 5107 1 38 . 1 1 3 3 LEU CG C 13 26.908 0.08 . 1 . . . . . . . . 5107 1 39 . 1 1 3 3 LEU CD1 C 13 24.890 0.08 . 2 . . . . . . . . 5107 1 40 . 1 1 3 3 LEU CD2 C 13 23.597 0.08 . 2 . . . . . . . . 5107 1 41 . 1 1 3 3 LEU N N 15 125.230 0.08 . 1 . . . . . . . . 5107 1 42 . 1 1 4 4 SER H H 1 8.078 0.03 . 1 . . . . . . . . 5107 1 43 . 1 1 4 4 SER HA H 1 4.376 0.03 . 1 . . . . . . . . 5107 1 44 . 1 1 4 4 SER HB2 H 1 3.896 0.03 . 2 . . . . . . . . 5107 1 45 . 1 1 4 4 SER HB3 H 1 3.820 0.03 . 2 . . . . . . . . 5107 1 46 . 1 1 4 4 SER C C 13 177.548 0.08 . 1 . . . . . . . . 5107 1 47 . 1 1 4 4 SER CA C 13 59.368 0.08 . 1 . . . . . . . . 5107 1 48 . 1 1 4 4 SER CB C 13 63.804 0.08 . 1 . . . . . . . . 5107 1 49 . 1 1 4 4 SER N N 15 114.434 0.08 . 1 . . . . . . . . 5107 1 50 . 1 1 5 5 GLY H H 1 8.005 0.03 . 1 . . . . . . . . 5107 1 51 . 1 1 5 5 GLY HA2 H 1 4.109 0.03 . 2 . . . . . . . . 5107 1 52 . 1 1 5 5 GLY HA3 H 1 3.766 0.03 . 2 . . . . . . . . 5107 1 53 . 1 1 5 5 GLY C C 13 174.519 0.08 . 1 . . . . . . . . 5107 1 54 . 1 1 5 5 GLY CA C 13 44.645 0.08 . 1 . . . . . . . . 5107 1 55 . 1 1 5 5 GLY N N 15 109.611 0.08 . 1 . . . . . . . . 5107 1 56 . 1 1 6 6 TYR H H 1 8.013 0.03 . 1 . . . . . . . . 5107 1 57 . 1 1 6 6 TYR HA H 1 4.984 0.03 . 1 . . . . . . . . 5107 1 58 . 1 1 6 6 TYR HB2 H 1 3.246 0.03 . 2 . . . . . . . . 5107 1 59 . 1 1 6 6 TYR HB3 H 1 2.470 0.03 . 2 . . . . . . . . 5107 1 60 . 1 1 6 6 TYR C C 13 173.836 0.08 . 1 . . . . . . . . 5107 1 61 . 1 1 6 6 TYR CA C 13 57.199 0.08 . 1 . . . . . . . . 5107 1 62 . 1 1 6 6 TYR CB C 13 41.655 0.08 . 1 . . . . . . . . 5107 1 63 . 1 1 6 6 TYR N N 15 119.397 0.08 . 1 . . . . . . . . 5107 1 64 . 1 1 7 7 THR H H 1 9.361 0.03 . 1 . . . . . . . . 5107 1 65 . 1 1 7 7 THR HA H 1 4.487 0.03 . 1 . . . . . . . . 5107 1 66 . 1 1 7 7 THR HB H 1 4.773 0.03 . 1 . . . . . . . . 5107 1 67 . 1 1 7 7 THR HG21 H 1 1.369 0.03 . 1 . . . . . . . . 5107 1 68 . 1 1 7 7 THR HG22 H 1 1.369 0.03 . 1 . . . . . . . . 5107 1 69 . 1 1 7 7 THR HG23 H 1 1.369 0.03 . 1 . . . . . . . . 5107 1 70 . 1 1 7 7 THR C C 13 177.841 0.08 . 1 . . . . . . . . 5107 1 71 . 1 1 7 7 THR CA C 13 60.795 0.08 . 1 . . . . . . . . 5107 1 72 . 1 1 7 7 THR CB C 13 70.996 0.08 . 1 . . . . . . . . 5107 1 73 . 1 1 7 7 THR CG2 C 13 21.787 0.08 . 1 . . . . . . . . 5107 1 74 . 1 1 7 7 THR N N 15 114.033 0.08 . 1 . . . . . . . . 5107 1 75 . 1 1 8 8 GLU H H 1 9.040 0.03 . 1 . . . . . . . . 5107 1 76 . 1 1 8 8 GLU HA H 1 3.812 0.03 . 1 . . . . . . . . 5107 1 77 . 1 1 8 8 GLU HB2 H 1 2.046 0.03 . 2 . . . . . . . . 5107 1 78 . 1 1 8 8 GLU HB3 H 1 2.205 0.03 . 2 . . . . . . . . 5107 1 79 . 1 1 8 8 GLU HG2 H 1 2.313 0.03 . 2 . . . . . . . . 5107 1 80 . 1 1 8 8 GLU HG3 H 1 2.106 0.03 . 2 . . . . . . . . 5107 1 81 . 1 1 8 8 GLU C C 13 175.594 0.08 . 1 . . . . . . . . 5107 1 82 . 1 1 8 8 GLU CA C 13 61.362 0.08 . 1 . . . . . . . . 5107 1 83 . 1 1 8 8 GLU CB C 13 29.957 0.08 . 1 . . . . . . . . 5107 1 84 . 1 1 8 8 GLU CG C 13 38.006 0.08 . 1 . . . . . . . . 5107 1 85 . 1 1 8 8 GLU N N 15 121.641 0.08 . 1 . . . . . . . . 5107 1 86 . 1 1 9 9 ASP H H 1 8.343 0.03 . 1 . . . . . . . . 5107 1 87 . 1 1 9 9 ASP HA H 1 4.335 0.03 . 1 . . . . . . . . 5107 1 88 . 1 1 9 9 ASP HB2 H 1 2.563 0.03 . 2 . . . . . . . . 5107 1 89 . 1 1 9 9 ASP HB3 H 1 2.455 0.03 . 2 . . . . . . . . 5107 1 90 . 1 1 9 9 ASP C C 13 177.938 0.08 . 1 . . . . . . . . 5107 1 91 . 1 1 9 9 ASP CA C 13 57.361 0.08 . 1 . . . . . . . . 5107 1 92 . 1 1 9 9 ASP CB C 13 40.931 0.08 . 1 . . . . . . . . 5107 1 93 . 1 1 9 9 ASP N N 15 116.143 0.08 . 1 . . . . . . . . 5107 1 94 . 1 1 10 10 GLU H H 1 7.800 0.03 . 1 . . . . . . . . 5107 1 95 . 1 1 10 10 GLU HA H 1 4.024 0.03 . 1 . . . . . . . . 5107 1 96 . 1 1 10 10 GLU HB2 H 1 1.874 0.03 . 2 . . . . . . . . 5107 1 97 . 1 1 10 10 GLU HB3 H 1 2.553 0.03 . 2 . . . . . . . . 5107 1 98 . 1 1 10 10 GLU HG2 H 1 2.337 0.03 . 2 . . . . . . . . 5107 1 99 . 1 1 10 10 GLU HG3 H 1 2.502 0.03 . 2 . . . . . . . . 5107 1 100 . 1 1 10 10 GLU C C 13 179.208 0.08 . 1 . . . . . . . . 5107 1 101 . 1 1 10 10 GLU CA C 13 59.086 0.08 . 1 . . . . . . . . 5107 1 102 . 1 1 10 10 GLU CB C 13 29.724 0.08 . 1 . . . . . . . . 5107 1 103 . 1 1 10 10 GLU CG C 13 37.434 0.08 . 1 . . . . . . . . 5107 1 104 . 1 1 10 10 GLU N N 15 120.215 0.08 . 1 . . . . . . . . 5107 1 105 . 1 1 11 11 LYS H H 1 8.465 0.03 . 1 . . . . . . . . 5107 1 106 . 1 1 11 11 LYS HA H 1 3.480 0.03 . 1 . . . . . . . . 5107 1 107 . 1 1 11 11 LYS HB2 H 1 2.078 0.03 . 2 . . . . . . . . 5107 1 108 . 1 1 11 11 LYS HB3 H 1 1.393 0.03 . 2 . . . . . . . . 5107 1 109 . 1 1 11 11 LYS HG2 H 1 0.764 0.03 . 2 . . . . . . . . 5107 1 110 . 1 1 11 11 LYS HG3 H 1 1.810 0.03 . 2 . . . . . . . . 5107 1 111 . 1 1 11 11 LYS HD2 H 1 1.608 0.03 . 2 . . . . . . . . 5107 1 112 . 1 1 11 11 LYS HD3 H 1 1.801 0.03 . 2 . . . . . . . . 5107 1 113 . 1 1 11 11 LYS HE2 H 1 3.290 0.03 . 2 . . . . . . . . 5107 1 114 . 1 1 11 11 LYS C C 13 180.991 0.08 . 1 . . . . . . . . 5107 1 115 . 1 1 11 11 LYS CA C 13 60.894 0.08 . 1 . . . . . . . . 5107 1 116 . 1 1 11 11 LYS CB C 13 34.386 0.08 . 1 . . . . . . . . 5107 1 117 . 1 1 11 11 LYS CG C 13 27.094 0.08 . 4 . . . . . . . . 5107 1 118 . 1 1 11 11 LYS CD C 13 31.758 0.08 . 4 . . . . . . . . 5107 1 119 . 1 1 11 11 LYS CE C 13 41.603 0.08 . 1 . . . . . . . . 5107 1 120 . 1 1 11 11 LYS N N 15 119.175 0.08 . 1 . . . . . . . . 5107 1 121 . 1 1 12 12 LEU H H 1 8.410 0.03 . 1 . . . . . . . . 5107 1 122 . 1 1 12 12 LEU HA H 1 3.854 0.03 . 1 . . . . . . . . 5107 1 123 . 1 1 12 12 LEU HB2 H 1 2.065 0.03 . 2 . . . . . . . . 5107 1 124 . 1 1 12 12 LEU HB3 H 1 1.410 0.03 . 2 . . . . . . . . 5107 1 125 . 1 1 12 12 LEU HG H 1 1.481 0.03 . 1 . . . . . . . . 5107 1 126 . 1 1 12 12 LEU HD11 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 127 . 1 1 12 12 LEU HD12 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 128 . 1 1 12 12 LEU HD13 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 129 . 1 1 12 12 LEU HD21 H 1 0.901 0.03 . 1 . . . . . . . . 5107 1 130 . 1 1 12 12 LEU HD22 H 1 0.901 0.03 . 1 . . . . . . . . 5107 1 131 . 1 1 12 12 LEU HD23 H 1 0.901 0.03 . 1 . . . . . . . . 5107 1 132 . 1 1 12 12 LEU C C 13 177.841 0.08 . 1 . . . . . . . . 5107 1 133 . 1 1 12 12 LEU CA C 13 58.544 0.08 . 1 . . . . . . . . 5107 1 134 . 1 1 12 12 LEU CB C 13 41.567 0.08 . 1 . . . . . . . . 5107 1 135 . 1 1 12 12 LEU CG C 13 27.017 0.08 . 1 . . . . . . . . 5107 1 136 . 1 1 12 12 LEU CD1 C 13 25.735 0.08 . 2 . . . . . . . . 5107 1 137 . 1 1 12 12 LEU CD2 C 13 24.280 0.08 . 2 . . . . . . . . 5107 1 138 . 1 1 12 12 LEU N N 15 120.332 0.08 . 1 . . . . . . . . 5107 1 139 . 1 1 13 13 ASN H H 1 7.651 0.03 . 1 . . . . . . . . 5107 1 140 . 1 1 13 13 ASN HA H 1 4.407 0.03 . 1 . . . . . . . . 5107 1 141 . 1 1 13 13 ASN HB2 H 1 2.851 0.03 . 2 . . . . . . . . 5107 1 142 . 1 1 13 13 ASN HB3 H 1 2.732 0.03 . 2 . . . . . . . . 5107 1 143 . 1 1 13 13 ASN C C 13 178.036 0.08 . 1 . . . . . . . . 5107 1 144 . 1 1 13 13 ASN CA C 13 57.047 0.08 . 1 . . . . . . . . 5107 1 145 . 1 1 13 13 ASN CB C 13 38.914 0.08 . 1 . . . . . . . . 5107 1 146 . 1 1 13 13 ASN N N 15 116.496 0.08 . 1 . . . . . . . . 5107 1 147 . 1 1 14 14 ILE H H 1 8.362 0.03 . 1 . . . . . . . . 5107 1 148 . 1 1 14 14 ILE HA H 1 3.697 0.03 . 1 . . . . . . . . 5107 1 149 . 1 1 14 14 ILE HB H 1 1.688 0.03 . 1 . . . . . . . . 5107 1 150 . 1 1 14 14 ILE HG12 H 1 0.916 0.03 . 2 . . . . . . . . 5107 1 151 . 1 1 14 14 ILE HG13 H 1 1.695 0.03 . 2 . . . . . . . . 5107 1 152 . 1 1 14 14 ILE HG21 H 1 0.899 0.03 . 1 . . . . . . . . 5107 1 153 . 1 1 14 14 ILE HG22 H 1 0.899 0.03 . 1 . . . . . . . . 5107 1 154 . 1 1 14 14 ILE HG23 H 1 0.899 0.03 . 1 . . . . . . . . 5107 1 155 . 1 1 14 14 ILE HD11 H 1 0.216 0.03 . 1 . . . . . . . . 5107 1 156 . 1 1 14 14 ILE HD12 H 1 0.216 0.03 . 1 . . . . . . . . 5107 1 157 . 1 1 14 14 ILE HD13 H 1 0.216 0.03 . 1 . . . . . . . . 5107 1 158 . 1 1 14 14 ILE C C 13 177.645 0.08 . 1 . . . . . . . . 5107 1 159 . 1 1 14 14 ILE CA C 13 65.706 0.08 . 1 . . . . . . . . 5107 1 160 . 1 1 14 14 ILE CB C 13 38.589 0.08 . 1 . . . . . . . . 5107 1 161 . 1 1 14 14 ILE CG1 C 13 29.763 0.08 . 2 . . . . . . . . 5107 1 162 . 1 1 14 14 ILE CG2 C 13 17.234 0.08 . 2 . . . . . . . . 5107 1 163 . 1 1 14 14 ILE CD1 C 13 13.210 0.08 . 1 . . . . . . . . 5107 1 164 . 1 1 14 14 ILE N N 15 121.208 0.08 . 1 . . . . . . . . 5107 1 165 . 1 1 15 15 ALA H H 1 9.006 0.03 . 1 . . . . . . . . 5107 1 166 . 1 1 15 15 ALA HA H 1 3.930 0.03 . 1 . . . . . . . . 5107 1 167 . 1 1 15 15 ALA HB1 H 1 1.555 0.03 . 1 . . . . . . . . 5107 1 168 . 1 1 15 15 ALA HB2 H 1 1.555 0.03 . 1 . . . . . . . . 5107 1 169 . 1 1 15 15 ALA HB3 H 1 1.555 0.03 . 1 . . . . . . . . 5107 1 170 . 1 1 15 15 ALA C C 13 179.892 0.08 . 1 . . . . . . . . 5107 1 171 . 1 1 15 15 ALA CA C 13 55.822 0.08 . 1 . . . . . . . . 5107 1 172 . 1 1 15 15 ALA CB C 13 19.032 0.08 . 1 . . . . . . . . 5107 1 173 . 1 1 15 15 ALA N N 15 123.593 0.08 . 1 . . . . . . . . 5107 1 174 . 1 1 16 16 LYS H H 1 8.440 0.03 . 1 . . . . . . . . 5107 1 175 . 1 1 16 16 LYS HA H 1 3.914 0.03 . 1 . . . . . . . . 5107 1 176 . 1 1 16 16 LYS HB2 H 1 1.886 0.03 . 2 . . . . . . . . 5107 1 177 . 1 1 16 16 LYS HB3 H 1 1.758 0.03 . 2 . . . . . . . . 5107 1 178 . 1 1 16 16 LYS HG2 H 1 1.633 0.03 . 2 . . . . . . . . 5107 1 179 . 1 1 16 16 LYS HG3 H 1 1.387 0.03 . 2 . . . . . . . . 5107 1 180 . 1 1 16 16 LYS HD2 H 1 1.772 0.03 . 2 . . . . . . . . 5107 1 181 . 1 1 16 16 LYS HE2 H 1 2.961 0.03 . 2 . . . . . . . . 5107 1 182 . 1 1 16 16 LYS HE3 H 1 2.858 0.03 . 2 . . . . . . . . 5107 1 183 . 1 1 16 16 LYS CA C 13 60.133 0.08 . 1 . . . . . . . . 5107 1 184 . 1 1 16 16 LYS CB C 13 32.677 0.08 . 1 . . . . . . . . 5107 1 185 . 1 1 16 16 LYS CG C 13 25.273 0.08 . 4 . . . . . . . . 5107 1 186 . 1 1 16 16 LYS CD C 13 29.948 0.08 . 4 . . . . . . . . 5107 1 187 . 1 1 16 16 LYS CE C 13 41.275 0.08 . 1 . . . . . . . . 5107 1 188 . 1 1 16 16 LYS N N 15 115.301 0.08 . 1 . . . . . . . . 5107 1 189 . 1 1 17 17 ARG H H 1 8.388 0.03 . 1 . . . . . . . . 5107 1 190 . 1 1 17 17 ARG HA H 1 4.201 0.03 . 1 . . . . . . . . 5107 1 191 . 1 1 17 17 ARG HB2 H 1 1.641 0.03 . 2 . . . . . . . . 5107 1 192 . 1 1 17 17 ARG HB3 H 1 1.493 0.03 . 2 . . . . . . . . 5107 1 193 . 1 1 17 17 ARG HG2 H 1 1.650 0.03 . 2 . . . . . . . . 5107 1 194 . 1 1 17 17 ARG HG3 H 1 1.493 0.03 . 2 . . . . . . . . 5107 1 195 . 1 1 17 17 ARG HD2 H 1 3.057 0.03 . 2 . . . . . . . . 5107 1 196 . 1 1 17 17 ARG C C 13 178.232 0.08 . 1 . . . . . . . . 5107 1 197 . 1 1 17 17 ARG CA C 13 57.368 0.08 . 1 . . . . . . . . 5107 1 198 . 1 1 17 17 ARG CB C 13 30.976 0.08 . 1 . . . . . . . . 5107 1 199 . 1 1 17 17 ARG CG C 13 27.619 0.08 . 1 . . . . . . . . 5107 1 200 . 1 1 17 17 ARG CD C 13 43.095 0.08 . 1 . . . . . . . . 5107 1 201 . 1 1 17 17 ARG N N 15 113.414 0.08 . 1 . . . . . . . . 5107 1 202 . 1 1 18 18 HIS H H 1 7.936 0.03 . 1 . . . . . . . . 5107 1 203 . 1 1 18 18 HIS HA H 1 5.065 0.03 . 1 . . . . . . . . 5107 1 204 . 1 1 18 18 HIS HB2 H 1 3.255 0.03 . 2 . . . . . . . . 5107 1 205 . 1 1 18 18 HIS HB3 H 1 3.179 0.03 . 2 . . . . . . . . 5107 1 206 . 1 1 18 18 HIS C C 13 176.962 0.08 . 1 . . . . . . . . 5107 1 207 . 1 1 18 18 HIS CA C 13 56.779 0.08 . 1 . . . . . . . . 5107 1 208 . 1 1 18 18 HIS CB C 13 32.189 0.08 . 1 . . . . . . . . 5107 1 209 . 1 1 18 18 HIS N N 15 113.026 0.08 . 1 . . . . . . . . 5107 1 210 . 1 1 19 19 LEU H H 1 8.132 0.03 . 1 . . . . . . . . 5107 1 211 . 1 1 19 19 LEU HA H 1 4.115 0.03 . 1 . . . . . . . . 5107 1 212 . 1 1 19 19 LEU HB2 H 1 1.981 0.03 . 2 . . . . . . . . 5107 1 213 . 1 1 19 19 LEU HB3 H 1 1.378 0.03 . 2 . . . . . . . . 5107 1 214 . 1 1 19 19 LEU HG H 1 1.346 0.03 . 1 . . . . . . . . 5107 1 215 . 1 1 19 19 LEU HD11 H 1 0.799 0.03 . 1 . . . . . . . . 5107 1 216 . 1 1 19 19 LEU HD12 H 1 0.799 0.03 . 1 . . . . . . . . 5107 1 217 . 1 1 19 19 LEU HD13 H 1 0.799 0.03 . 1 . . . . . . . . 5107 1 218 . 1 1 19 19 LEU HD21 H 1 0.783 0.03 . 1 . . . . . . . . 5107 1 219 . 1 1 19 19 LEU HD22 H 1 0.783 0.03 . 1 . . . . . . . . 5107 1 220 . 1 1 19 19 LEU HD23 H 1 0.783 0.03 . 1 . . . . . . . . 5107 1 221 . 1 1 19 19 LEU C C 13 175.985 0.08 . 1 . . . . . . . . 5107 1 222 . 1 1 19 19 LEU CA C 13 58.590 0.08 . 1 . . . . . . . . 5107 1 223 . 1 1 19 19 LEU CB C 13 42.650 0.08 . 1 . . . . . . . . 5107 1 224 . 1 1 19 19 LEU CG C 13 30.295 0.08 . 1 . . . . . . . . 5107 1 225 . 1 1 19 19 LEU CD1 C 13 25.764 0.08 . 2 . . . . . . . . 5107 1 226 . 1 1 19 19 LEU CD2 C 13 20.879 0.08 . 2 . . . . . . . . 5107 1 227 . 1 1 19 19 LEU N N 15 116.762 0.08 . 2 . . . . . . . . 5107 1 228 . 1 1 20 20 LEU H H 1 9.451 0.03 . 1 . . . . . . . . 5107 1 229 . 1 1 20 20 LEU HA H 1 4.194 0.03 . 1 . . . . . . . . 5107 1 230 . 1 1 20 20 LEU HB2 H 1 1.534 0.03 . 1 . . . . . . . . 5107 1 231 . 1 1 20 20 LEU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 5107 1 232 . 1 1 20 20 LEU HG H 1 1.497 0.03 . 1 . . . . . . . . 5107 1 233 . 1 1 20 20 LEU HD11 H 1 0.878 0.03 . 1 . . . . . . . . 5107 1 234 . 1 1 20 20 LEU HD12 H 1 0.878 0.03 . 1 . . . . . . . . 5107 1 235 . 1 1 20 20 LEU HD13 H 1 0.878 0.03 . 1 . . . . . . . . 5107 1 236 . 1 1 20 20 LEU HD21 H 1 0.787 0.03 . 1 . . . . . . . . 5107 1 237 . 1 1 20 20 LEU HD22 H 1 0.787 0.03 . 1 . . . . . . . . 5107 1 238 . 1 1 20 20 LEU HD23 H 1 0.787 0.03 . 1 . . . . . . . . 5107 1 239 . 1 1 20 20 LEU C C 13 178.134 0.08 . 1 . . . . . . . . 5107 1 240 . 1 1 20 20 LEU CA C 13 59.743 0.08 . 1 . . . . . . . . 5107 1 241 . 1 1 20 20 LEU CB C 13 39.402 0.08 . 1 . . . . . . . . 5107 1 242 . 1 1 20 20 LEU CG C 13 27.75 0.08 . 1 . . . . . . . . 5107 1 243 . 1 1 20 20 LEU CD1 C 13 25.623 0.08 . 1 . . . . . . . . 5107 1 244 . 1 1 20 20 LEU CD2 C 13 24.147 0.08 . 1 . . . . . . . . 5107 1 245 . 1 1 20 20 LEU N N 15 117.983 0.08 . 1 . . . . . . . . 5107 1 246 . 1 1 21 21 PRO HA H 1 4.156 0.03 . 1 . . . . . . . . 5107 1 247 . 1 1 21 21 PRO HB2 H 1 2.288 0.03 . 2 . . . . . . . . 5107 1 248 . 1 1 21 21 PRO HB3 H 1 1.770 0.03 . 2 . . . . . . . . 5107 1 249 . 1 1 21 21 PRO HG2 H 1 1.940 0.03 . 2 . . . . . . . . 5107 1 250 . 1 1 21 21 PRO HG3 H 1 1.894 0.03 . 2 . . . . . . . . 5107 1 251 . 1 1 21 21 PRO HD2 H 1 3.628 0.03 . 2 . . . . . . . . 5107 1 252 . 1 1 21 21 PRO HD3 H 1 3.186 0.03 . 2 . . . . . . . . 5107 1 253 . 1 1 21 21 PRO CA C 13 66.547 0.08 . 1 . . . . . . . . 5107 1 254 . 1 1 21 21 PRO CB C 13 30.663 0.08 . 1 . . . . . . . . 5107 1 255 . 1 1 21 21 PRO CG C 13 28.513 0.08 . 1 . . . . . . . . 5107 1 256 . 1 1 21 21 PRO CD C 13 49.504 0.08 . 1 . . . . . . . . 5107 1 257 . 1 1 22 22 LYS H H 1 7.169 0.03 . 1 . . . . . . . . 5107 1 258 . 1 1 22 22 LYS HA H 1 4.181 0.03 . 1 . . . . . . . . 5107 1 259 . 1 1 22 22 LYS HB2 H 1 1.898 0.03 . 2 . . . . . . . . 5107 1 260 . 1 1 22 22 LYS HB3 H 1 1.685 0.03 . 2 . . . . . . . . 5107 1 261 . 1 1 22 22 LYS HG2 H 1 1.274 0.03 . 2 . . . . . . . . 5107 1 262 . 1 1 22 22 LYS HG3 H 1 1.513 0.03 . 2 . . . . . . . . 5107 1 263 . 1 1 22 22 LYS HE2 H 1 3.173 0.03 . 1 . . . . . . . . 5107 1 264 . 1 1 22 22 LYS C C 13 179.404 0.08 . 1 . . . . . . . . 5107 1 265 . 1 1 22 22 LYS CA C 13 58.933 0.08 . 1 . . . . . . . . 5107 1 266 . 1 1 22 22 LYS CB C 13 31.420 0.08 . 1 . . . . . . . . 5107 1 267 . 1 1 22 22 LYS CG C 13 24.596 0.08 . 4 . . . . . . . . 5107 1 268 . 1 1 22 22 LYS CD C 13 29.408 0.08 . 4 . . . . . . . . 5107 1 269 . 1 1 22 22 LYS CE C 13 43.342 0.08 . 1 . . . . . . . . 5107 1 270 . 1 1 22 22 LYS N N 15 115.704 0.08 . 1 . . . . . . . . 5107 1 271 . 1 1 23 23 GLN H H 1 8.075 0.03 . 1 . . . . . . . . 5107 1 272 . 1 1 23 23 GLN HA H 1 4.067 0.03 . 1 . . . . . . . . 5107 1 273 . 1 1 23 23 GLN HB2 H 1 2.307 0.03 . 2 . . . . . . . . 5107 1 274 . 1 1 23 23 GLN HB3 H 1 1.964 0.03 . 2 . . . . . . . . 5107 1 275 . 1 1 23 23 GLN HG2 H 1 2.689 0.03 . 2 . . . . . . . . 5107 1 276 . 1 1 23 23 GLN HG3 H 1 2.107 0.03 . 2 . . . . . . . . 5107 1 277 . 1 1 23 23 GLN C C 13 179.120 0.08 . 1 . . . . . . . . 5107 1 278 . 1 1 23 23 GLN CA C 13 58.016 0.08 . 1 . . . . . . . . 5107 1 279 . 1 1 23 23 GLN CB C 13 28.224 0.08 . 1 . . . . . . . . 5107 1 280 . 1 1 23 23 GLN CG C 13 32.947 0.08 . 1 . . . . . . . . 5107 1 281 . 1 1 23 23 GLN N N 15 118.279 0.08 . 1 . . . . . . . . 5107 1 282 . 1 1 24 24 ILE H H 1 8.845 0.03 . 1 . . . . . . . . 5107 1 283 . 1 1 24 24 ILE HA H 1 3.687 0.03 . 1 . . . . . . . . 5107 1 284 . 1 1 24 24 ILE HB H 1 1.980 0.03 . 1 . . . . . . . . 5107 1 285 . 1 1 24 24 ILE HG12 H 1 1.688 0.03 . 2 . . . . . . . . 5107 1 286 . 1 1 24 24 ILE HG13 H 1 1.055 0.03 . 2 . . . . . . . . 5107 1 287 . 1 1 24 24 ILE HG21 H 1 0.870 0.03 . 1 . . . . . . . . 5107 1 288 . 1 1 24 24 ILE HG22 H 1 0.870 0.03 . 1 . . . . . . . . 5107 1 289 . 1 1 24 24 ILE HG23 H 1 0.870 0.03 . 1 . . . . . . . . 5107 1 290 . 1 1 24 24 ILE HD11 H 1 0.775 0.03 . 1 . . . . . . . . 5107 1 291 . 1 1 24 24 ILE HD12 H 1 0.775 0.03 . 1 . . . . . . . . 5107 1 292 . 1 1 24 24 ILE HD13 H 1 0.775 0.03 . 1 . . . . . . . . 5107 1 293 . 1 1 24 24 ILE C C 13 179.501 0.08 . 1 . . . . . . . . 5107 1 294 . 1 1 24 24 ILE CA C 13 66.133 0.08 . 1 . . . . . . . . 5107 1 295 . 1 1 24 24 ILE CB C 13 37.573 0.08 . 1 . . . . . . . . 5107 1 296 . 1 1 24 24 ILE CG1 C 13 30.699 0.08 . 1 . . . . . . . . 5107 1 297 . 1 1 24 24 ILE CG2 C 13 17.197 0.08 . 1 . . . . . . . . 5107 1 298 . 1 1 24 24 ILE CD1 C 13 12.938 0.08 . 1 . . . . . . . . 5107 1 299 . 1 1 24 24 ILE N N 15 124.930 0.08 . 1 . . . . . . . . 5107 1 300 . 1 1 25 25 GLU H H 1 7.531 0.03 . 1 . . . . . . . . 5107 1 301 . 1 1 25 25 GLU HA H 1 4.202 0.03 . 1 . . . . . . . . 5107 1 302 . 1 1 25 25 GLU HB2 H 1 2.188 0.03 . 2 . . . . . . . . 5107 1 303 . 1 1 25 25 GLU HG2 H 1 2.271 0.03 . 2 . . . . . . . . 5107 1 304 . 1 1 25 25 GLU HG3 H 1 2.375 0.03 . 2 . . . . . . . . 5107 1 305 . 1 1 25 25 GLU C C 13 177.743 0.08 . 1 . . . . . . . . 5107 1 306 . 1 1 25 25 GLU CA C 13 59.584 0.08 . 1 . . . . . . . . 5107 1 307 . 1 1 25 25 GLU CB C 13 29.879 0.08 . 1 . . . . . . . . 5107 1 308 . 1 1 25 25 GLU CG C 13 35.893 0.08 . 1 . . . . . . . . 5107 1 309 . 1 1 25 25 GLU N N 15 118.802 0.08 . 1 . . . . . . . . 5107 1 310 . 1 1 26 26 ARG H H 1 8.478 0.03 . 1 . . . . . . . . 5107 1 311 . 1 1 26 26 ARG HA H 1 4.110 0.03 . 1 . . . . . . . . 5107 1 312 . 1 1 26 26 ARG HB2 H 1 1.896 0.03 . 2 . . . . . . . . 5107 1 313 . 1 1 26 26 ARG HG2 H 1 1.751 0.03 . 2 . . . . . . . . 5107 1 314 . 1 1 26 26 ARG HD2 H 1 3.170 0.03 . 2 . . . . . . . . 5107 1 315 . 1 1 26 26 ARG C C 13 180.967 0.08 . 1 . . . . . . . . 5107 1 316 . 1 1 26 26 ARG CA C 13 58.571 0.08 . 1 . . . . . . . . 5107 1 317 . 1 1 26 26 ARG CB C 13 30.387 0.08 . 1 . . . . . . . . 5107 1 318 . 1 1 26 26 ARG CG C 13 27.141 0.08 . 1 . . . . . . . . 5107 1 319 . 1 1 26 26 ARG CD C 13 43.243 0.08 . 1 . . . . . . . . 5107 1 320 . 1 1 26 26 ARG N N 15 119.173 0.08 . 1 . . . . . . . . 5107 1 321 . 1 1 27 27 ASN H H 1 7.424 0.03 . 1 . . . . . . . . 5107 1 322 . 1 1 27 27 ASN HA H 1 4.610 0.03 . 1 . . . . . . . . 5107 1 323 . 1 1 27 27 ASN HB2 H 1 2.766 0.03 . 2 . . . . . . . . 5107 1 324 . 1 1 27 27 ASN HB3 H 1 2.423 0.03 . 2 . . . . . . . . 5107 1 325 . 1 1 27 27 ASN C C 13 177.352 0.08 . 1 . . . . . . . . 5107 1 326 . 1 1 27 27 ASN CA C 13 54.590 0.08 . 1 . . . . . . . . 5107 1 327 . 1 1 27 27 ASN CB C 13 39.913 0.08 . 1 . . . . . . . . 5107 1 328 . 1 1 27 27 ASN N N 15 114.413 0.08 . 1 . . . . . . . . 5107 1 329 . 1 1 28 28 ALA H H 1 7.906 0.03 . 1 . . . . . . . . 5107 1 330 . 1 1 28 28 ALA HA H 1 4.074 0.03 . 1 . . . . . . . . 5107 1 331 . 1 1 28 28 ALA HB1 H 1 1.425 0.03 . 1 . . . . . . . . 5107 1 332 . 1 1 28 28 ALA HB2 H 1 1.425 0.03 . 1 . . . . . . . . 5107 1 333 . 1 1 28 28 ALA HB3 H 1 1.425 0.03 . 1 . . . . . . . . 5107 1 334 . 1 1 28 28 ALA C C 13 172.175 0.08 . 1 . . . . . . . . 5107 1 335 . 1 1 28 28 ALA CA C 13 53.462 0.08 . 1 . . . . . . . . 5107 1 336 . 1 1 28 28 ALA CB C 13 16.463 0.08 . 1 . . . . . . . . 5107 1 337 . 1 1 28 28 ALA N N 15 119.020 0.08 . 1 . . . . . . . . 5107 1 338 . 1 1 29 29 LEU H H 1 7.542 0.03 . 1 . . . . . . . . 5107 1 339 . 1 1 29 29 LEU HA H 1 4.340 0.03 . 1 . . . . . . . . 5107 1 340 . 1 1 29 29 LEU HB2 H 1 1.478 0.03 . 2 . . . . . . . . 5107 1 341 . 1 1 29 29 LEU HB3 H 1 1.830 0.03 . 2 . . . . . . . . 5107 1 342 . 1 1 29 29 LEU HG H 1 1.477 0.03 . 1 . . . . . . . . 5107 1 343 . 1 1 29 29 LEU HD11 H 1 0.884 0.03 . 1 . . . . . . . . 5107 1 344 . 1 1 29 29 LEU HD12 H 1 0.884 0.03 . 1 . . . . . . . . 5107 1 345 . 1 1 29 29 LEU HD13 H 1 0.884 0.03 . 1 . . . . . . . . 5107 1 346 . 1 1 29 29 LEU HD21 H 1 0.910 0.03 . 1 . . . . . . . . 5107 1 347 . 1 1 29 29 LEU HD22 H 1 0.910 0.03 . 1 . . . . . . . . 5107 1 348 . 1 1 29 29 LEU HD23 H 1 0.910 0.03 . 1 . . . . . . . . 5107 1 349 . 1 1 29 29 LEU C C 13 176.571 0.08 . 1 . . . . . . . . 5107 1 350 . 1 1 29 29 LEU CA C 13 55.227 0.08 . 1 . . . . . . . . 5107 1 351 . 1 1 29 29 LEU CB C 13 43.572 0.08 . 1 . . . . . . . . 5107 1 352 . 1 1 29 29 LEU CG C 13 27.257 0.08 . 1 . . . . . . . . 5107 1 353 . 1 1 29 29 LEU CD1 C 13 24.816 0.08 . 2 . . . . . . . . 5107 1 354 . 1 1 29 29 LEU CD2 C 13 26.961 0.08 . 2 . . . . . . . . 5107 1 355 . 1 1 29 29 LEU N N 15 119.368 0.08 . 1 . . . . . . . . 5107 1 356 . 1 1 30 30 LYS H H 1 8.899 0.03 . 1 . . . . . . . . 5107 1 357 . 1 1 30 30 LYS HA H 1 4.354 0.03 . 1 . . . . . . . . 5107 1 358 . 1 1 30 30 LYS HB2 H 1 1.519 0.03 . 2 . . . . . . . . 5107 1 359 . 1 1 30 30 LYS HB3 H 1 1.906 0.03 . 2 . . . . . . . . 5107 1 360 . 1 1 30 30 LYS HG3 H 1 1.407 0.03 . 2 . . . . . . . . 5107 1 361 . 1 1 30 30 LYS HD2 H 1 1.672 0.03 . 2 . . . . . . . . 5107 1 362 . 1 1 30 30 LYS HD3 H 1 1.676 0.03 . 2 . . . . . . . . 5107 1 363 . 1 1 30 30 LYS HE2 H 1 3.016 0.03 . 2 . . . . . . . . 5107 1 364 . 1 1 30 30 LYS CA C 13 54.891 0.08 . 1 . . . . . . . . 5107 1 365 . 1 1 30 30 LYS CB C 13 33.473 0.08 . 1 . . . . . . . . 5107 1 366 . 1 1 30 30 LYS CG C 13 25.159 0.08 . 1 . . . . . . . . 5107 1 367 . 1 1 30 30 LYS CD C 13 28.843 0.08 . 1 . . . . . . . . 5107 1 368 . 1 1 30 30 LYS CE C 13 42.168 0.08 . 1 . . . . . . . . 5107 1 369 . 1 1 30 30 LYS N N 15 122.254 0.08 . 1 . . . . . . . . 5107 1 370 . 1 1 31 31 LYS H H 1 8.624 0.03 . 1 . . . . . . . . 5107 1 371 . 1 1 31 31 LYS HA H 1 4.016 0.03 . 1 . . . . . . . . 5107 1 372 . 1 1 31 31 LYS HB2 H 1 1.806 0.03 . 2 . . . . . . . . 5107 1 373 . 1 1 31 31 LYS HB3 H 1 1.734 0.03 . 2 . . . . . . . . 5107 1 374 . 1 1 31 31 LYS HG2 H 1 1.392 0.03 . 2 . . . . . . . . 5107 1 375 . 1 1 31 31 LYS HG3 H 1 1.515 0.03 . 2 . . . . . . . . 5107 1 376 . 1 1 31 31 LYS HD2 H 1 1.685 0.03 . 2 . . . . . . . . 5107 1 377 . 1 1 31 31 LYS HE2 H 1 3.013 0.03 . 2 . . . . . . . . 5107 1 378 . 1 1 31 31 LYS HE3 H 1 2.850 0.03 . 2 . . . . . . . . 5107 1 379 . 1 1 31 31 LYS CA C 13 58.605 0.08 . 1 . . . . . . . . 5107 1 380 . 1 1 31 31 LYS CB C 13 31.776 0.08 . 1 . . . . . . . . 5107 1 381 . 1 1 31 31 LYS CG C 13 24.550 0.08 . 4 . . . . . . . . 5107 1 382 . 1 1 31 31 LYS CD C 13 29.225 0.08 . 4 . . . . . . . . 5107 1 383 . 1 1 31 31 LYS CE C 13 42.023 0.08 . 2 . . . . . . . . 5107 1 384 . 1 1 31 31 LYS N N 15 123.150 0.08 . 2 . . . . . . . . 5107 1 385 . 1 1 32 32 GLY H H 1 8.839 0.03 . 1 . . . . . . . . 5107 1 386 . 1 1 32 32 GLY HA2 H 1 4.190 0.03 . 2 . . . . . . . . 5107 1 387 . 1 1 32 32 GLY HA3 H 1 3.750 0.03 . 2 . . . . . . . . 5107 1 388 . 1 1 32 32 GLY C C 13 177.938 0.08 . 1 . . . . . . . . 5107 1 389 . 1 1 32 32 GLY CA C 13 45.161 0.08 . 1 . . . . . . . . 5107 1 390 . 1 1 32 32 GLY N N 15 112.350 0.08 . 1 . . . . . . . . 5107 1 391 . 1 1 33 33 GLU H H 1 8.129 0.03 . 1 . . . . . . . . 5107 1 392 . 1 1 33 33 GLU HA H 1 4.400 0.03 . 1 . . . . . . . . 5107 1 393 . 1 1 33 33 GLU HB2 H 1 1.938 0.03 . 2 . . . . . . . . 5107 1 394 . 1 1 33 33 GLU HG2 H 1 2.264 0.03 . 2 . . . . . . . . 5107 1 395 . 1 1 33 33 GLU HG3 H 1 2.243 0.03 . 2 . . . . . . . . 5107 1 396 . 1 1 33 33 GLU C C 13 175.496 0.08 . 1 . . . . . . . . 5107 1 397 . 1 1 33 33 GLU CA C 13 59.748 0.08 . 1 . . . . . . . . 5107 1 398 . 1 1 33 33 GLU CB C 13 30.413 0.08 . 1 . . . . . . . . 5107 1 399 . 1 1 33 33 GLU CG C 13 38.246 0.08 . 1 . . . . . . . . 5107 1 400 . 1 1 33 33 GLU N N 15 120.945 0.08 . 1 . . . . . . . . 5107 1 401 . 1 1 34 34 LEU H H 1 8.288 0.03 . 1 . . . . . . . . 5107 1 402 . 1 1 34 34 LEU HA H 1 5.126 0.03 . 1 . . . . . . . . 5107 1 403 . 1 1 34 34 LEU HB2 H 1 1.738 0.03 . 2 . . . . . . . . 5107 1 404 . 1 1 34 34 LEU HB3 H 1 0.952 0.03 . 2 . . . . . . . . 5107 1 405 . 1 1 34 34 LEU HG H 1 1.081 0.03 . 1 . . . . . . . . 5107 1 406 . 1 1 34 34 LEU HD11 H 1 0.529 0.03 . 1 . . . . . . . . 5107 1 407 . 1 1 34 34 LEU HD12 H 1 0.529 0.03 . 1 . . . . . . . . 5107 1 408 . 1 1 34 34 LEU HD13 H 1 0.529 0.03 . 1 . . . . . . . . 5107 1 409 . 1 1 34 34 LEU HD21 H 1 0.601 0.03 . 1 . . . . . . . . 5107 1 410 . 1 1 34 34 LEU HD22 H 1 0.601 0.03 . 1 . . . . . . . . 5107 1 411 . 1 1 34 34 LEU HD23 H 1 0.601 0.03 . 1 . . . . . . . . 5107 1 412 . 1 1 34 34 LEU C C 13 175.105 0.08 . 1 . . . . . . . . 5107 1 413 . 1 1 34 34 LEU CA C 13 53.483 0.08 . 1 . . . . . . . . 5107 1 414 . 1 1 34 34 LEU CB C 13 45.278 0.08 . 1 . . . . . . . . 5107 1 415 . 1 1 34 34 LEU CG C 13 27.567 0.08 . 1 . . . . . . . . 5107 1 416 . 1 1 34 34 LEU CD1 C 13 23.566 0.08 . 2 . . . . . . . . 5107 1 417 . 1 1 34 34 LEU CD2 C 13 27.260 0.08 . 2 . . . . . . . . 5107 1 418 . 1 1 34 34 LEU N N 15 118.544 0.08 . 1 . . . . . . . . 5107 1 419 . 1 1 35 35 THR H H 1 8.713 0.03 . 1 . . . . . . . . 5107 1 420 . 1 1 35 35 THR HA H 1 4.447 0.03 . 1 . . . . . . . . 5107 1 421 . 1 1 35 35 THR HB H 1 3.945 0.03 . 1 . . . . . . . . 5107 1 422 . 1 1 35 35 THR HG21 H 1 1.240 0.03 . 1 . . . . . . . . 5107 1 423 . 1 1 35 35 THR HG22 H 1 1.240 0.03 . 1 . . . . . . . . 5107 1 424 . 1 1 35 35 THR HG23 H 1 1.240 0.03 . 1 . . . . . . . . 5107 1 425 . 1 1 35 35 THR C C 13 175.399 0.08 . 1 . . . . . . . . 5107 1 426 . 1 1 35 35 THR CA C 13 61.500 0.08 . 1 . . . . . . . . 5107 1 427 . 1 1 35 35 THR CB C 13 71.187 0.08 . 1 . . . . . . . . 5107 1 428 . 1 1 35 35 THR CG2 C 13 21.479 0.08 . 1 . . . . . . . . 5107 1 429 . 1 1 35 35 THR N N 15 123.447 0.08 . 1 . . . . . . . . 5107 1 430 . 1 1 36 36 VAL H H 1 8.871 0.03 . 1 . . . . . . . . 5107 1 431 . 1 1 36 36 VAL HA H 1 4.363 0.03 . 1 . . . . . . . . 5107 1 432 . 1 1 36 36 VAL HB H 1 2.003 0.03 . 1 . . . . . . . . 5107 1 433 . 1 1 36 36 VAL HG11 H 1 0.658 0.03 . 2 . . . . . . . . 5107 1 434 . 1 1 36 36 VAL HG12 H 1 0.658 0.03 . 2 . . . . . . . . 5107 1 435 . 1 1 36 36 VAL HG13 H 1 0.658 0.03 . 2 . . . . . . . . 5107 1 436 . 1 1 36 36 VAL HG21 H 1 0.631 0.03 . 2 . . . . . . . . 5107 1 437 . 1 1 36 36 VAL HG22 H 1 0.631 0.03 . 2 . . . . . . . . 5107 1 438 . 1 1 36 36 VAL HG23 H 1 0.631 0.03 . 2 . . . . . . . . 5107 1 439 . 1 1 36 36 VAL C C 13 172.370 0.08 . 1 . . . . . . . . 5107 1 440 . 1 1 36 36 VAL CA C 13 60.868 0.08 . 1 . . . . . . . . 5107 1 441 . 1 1 36 36 VAL CB C 13 32.105 0.08 . 1 . . . . . . . . 5107 1 442 . 1 1 36 36 VAL CG1 C 13 22.110 0.08 . 2 . . . . . . . . 5107 1 443 . 1 1 36 36 VAL CG2 C 13 20.869 0.08 . 2 . . . . . . . . 5107 1 444 . 1 1 36 36 VAL N N 15 127.612 0.08 . 1 . . . . . . . . 5107 1 445 . 1 1 37 37 ASP H H 1 8.766 0.03 . 1 . . . . . . . . 5107 1 446 . 1 1 37 37 ASP HA H 1 4.633 0.03 . 1 . . . . . . . . 5107 1 447 . 1 1 37 37 ASP HB2 H 1 2.823 0.03 . 2 . . . . . . . . 5107 1 448 . 1 1 37 37 ASP HB3 H 1 2.941 0.03 . 2 . . . . . . . . 5107 1 449 . 1 1 37 37 ASP C C 13 174.617 0.08 . 1 . . . . . . . . 5107 1 450 . 1 1 37 37 ASP CA C 13 54.298 0.08 . 1 . . . . . . . . 5107 1 451 . 1 1 37 37 ASP CB C 13 42.302 0.08 . 1 . . . . . . . . 5107 1 452 . 1 1 37 37 ASP N N 15 126.484 0.08 . 1 . . . . . . . . 5107 1 453 . 1 1 38 38 ASP H H 1 9.063 0.03 . 1 . . . . . . . . 5107 1 454 . 1 1 38 38 ASP HA H 1 4.143 0.03 . 1 . . . . . . . . 5107 1 455 . 1 1 38 38 ASP HB2 H 1 2.740 0.03 . 2 . . . . . . . . 5107 1 456 . 1 1 38 38 ASP HB3 H 1 2.589 0.03 . 2 . . . . . . . . 5107 1 457 . 1 1 38 38 ASP C C 13 177.157 0.08 . 1 . . . . . . . . 5107 1 458 . 1 1 38 38 ASP CA C 13 58.318 0.08 . 1 . . . . . . . . 5107 1 459 . 1 1 38 38 ASP CB C 13 39.270 0.08 . 1 . . . . . . . . 5107 1 460 . 1 1 38 38 ASP N N 15 124.410 0.08 . 1 . . . . . . . . 5107 1 461 . 1 1 39 39 SER H H 1 8.603 0.03 . 1 . . . . . . . . 5107 1 462 . 1 1 39 39 SER HA H 1 4.112 0.03 . 1 . . . . . . . . 5107 1 463 . 1 1 39 39 SER HB2 H 1 3.974 0.03 . 2 . . . . . . . . 5107 1 464 . 1 1 39 39 SER C C 13 177.938 0.08 . 1 . . . . . . . . 5107 1 465 . 1 1 39 39 SER CA C 13 61.214 0.08 . 1 . . . . . . . . 5107 1 466 . 1 1 39 39 SER CB C 13 62.582 0.08 . 1 . . . . . . . . 5107 1 467 . 1 1 39 39 SER N N 15 112.865 0.08 . 1 . . . . . . . . 5107 1 468 . 1 1 40 40 ALA H H 1 7.808 0.03 . 1 . . . . . . . . 5107 1 469 . 1 1 40 40 ALA HA H 1 4.066 0.03 . 1 . . . . . . . . 5107 1 470 . 1 1 40 40 ALA HB1 H 1 1.270 0.03 . 1 . . . . . . . . 5107 1 471 . 1 1 40 40 ALA HB2 H 1 1.270 0.03 . 1 . . . . . . . . 5107 1 472 . 1 1 40 40 ALA HB3 H 1 1.270 0.03 . 1 . . . . . . . . 5107 1 473 . 1 1 40 40 ALA C C 13 178.134 0.08 . 1 . . . . . . . . 5107 1 474 . 1 1 40 40 ALA CA C 13 54.261 0.08 . 1 . . . . . . . . 5107 1 475 . 1 1 40 40 ALA CB C 13 18.550 0.08 . 1 . . . . . . . . 5107 1 476 . 1 1 40 40 ALA N N 15 125.503 0.08 . 1 . . . . . . . . 5107 1 477 . 1 1 41 41 ILE H H 1 7.241 0.03 . 1 . . . . . . . . 5107 1 478 . 1 1 41 41 ILE HA H 1 3.394 0.03 . 1 . . . . . . . . 5107 1 479 . 1 1 41 41 ILE HB H 1 1.977 0.03 . 1 . . . . . . . . 5107 1 480 . 1 1 41 41 ILE HG12 H 1 0.759 0.03 . 2 . . . . . . . . 5107 1 481 . 1 1 41 41 ILE HG13 H 1 1.654 0.03 . 2 . . . . . . . . 5107 1 482 . 1 1 41 41 ILE HG21 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 483 . 1 1 41 41 ILE HG22 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 484 . 1 1 41 41 ILE HG23 H 1 0.890 0.03 . 1 . . . . . . . . 5107 1 485 . 1 1 41 41 ILE HD11 H 1 0.755 0.03 . 1 . . . . . . . . 5107 1 486 . 1 1 41 41 ILE HD12 H 1 0.755 0.03 . 1 . . . . . . . . 5107 1 487 . 1 1 41 41 ILE HD13 H 1 0.755 0.03 . 1 . . . . . . . . 5107 1 488 . 1 1 41 41 ILE C C 13 178.134 0.08 . 1 . . . . . . . . 5107 1 489 . 1 1 41 41 ILE CA C 13 65.348 0.08 . 1 . . . . . . . . 5107 1 490 . 1 1 41 41 ILE CB C 13 36.535 0.08 . 1 . . . . . . . . 5107 1 491 . 1 1 41 41 ILE CG1 C 13 28.863 0.08 . 1 . . . . . . . . 5107 1 492 . 1 1 41 41 ILE CG2 C 13 19.037 0.08 . 1 . . . . . . . . 5107 1 493 . 1 1 41 41 ILE CD1 C 13 13.111 0.08 . 1 . . . . . . . . 5107 1 494 . 1 1 41 41 ILE N N 15 117.516 0.08 . 1 . . . . . . . . 5107 1 495 . 1 1 42 42 ILE H H 1 8.553 0.03 . 1 . . . . . . . . 5107 1 496 . 1 1 42 42 ILE HA H 1 3.634 0.03 . 1 . . . . . . . . 5107 1 497 . 1 1 42 42 ILE HB H 1 1.816 0.03 . 1 . . . . . . . . 5107 1 498 . 1 1 42 42 ILE HG12 H 1 1.505 0.03 . 2 . . . . . . . . 5107 1 499 . 1 1 42 42 ILE HG13 H 1 1.290 0.03 . 2 . . . . . . . . 5107 1 500 . 1 1 42 42 ILE HG21 H 1 0.749 0.03 . 1 . . . . . . . . 5107 1 501 . 1 1 42 42 ILE HG22 H 1 0.749 0.03 . 1 . . . . . . . . 5107 1 502 . 1 1 42 42 ILE HG23 H 1 0.749 0.03 . 1 . . . . . . . . 5107 1 503 . 1 1 42 42 ILE HD11 H 1 0.683 0.03 . 1 . . . . . . . . 5107 1 504 . 1 1 42 42 ILE HD12 H 1 0.683 0.03 . 1 . . . . . . . . 5107 1 505 . 1 1 42 42 ILE HD13 H 1 0.683 0.03 . 1 . . . . . . . . 5107 1 506 . 1 1 42 42 ILE C C 13 177.938 0.08 . 1 . . . . . . . . 5107 1 507 . 1 1 42 42 ILE CA C 13 63.819 0.08 . 1 . . . . . . . . 5107 1 508 . 1 1 42 42 ILE CB C 13 36.590 0.08 . 1 . . . . . . . . 5107 1 509 . 1 1 42 42 ILE CG1 C 13 28.324 0.08 . 1 . . . . . . . . 5107 1 510 . 1 1 42 42 ILE CG2 C 13 16.566 0.08 . 1 . . . . . . . . 5107 1 511 . 1 1 42 42 ILE CD1 C 13 11.076 0.08 . 1 . . . . . . . . 5107 1 512 . 1 1 42 42 ILE N N 15 119.049 0.08 . 1 . . . . . . . . 5107 1 513 . 1 1 43 43 GLY H H 1 7.664 0.03 . 1 . . . . . . . . 5107 1 514 . 1 1 43 43 GLY HA2 H 1 3.995 0.03 . 2 . . . . . . . . 5107 1 515 . 1 1 43 43 GLY HA3 H 1 3.909 0.03 . 2 . . . . . . . . 5107 1 516 . 1 1 43 43 GLY C C 13 177.645 0.08 . 1 . . . . . . . . 5107 1 517 . 1 1 43 43 GLY CA C 13 47.167 0.08 . 1 . . . . . . . . 5107 1 518 . 1 1 43 43 GLY N N 15 106.985 0.08 . 1 . . . . . . . . 5107 1 519 . 1 1 44 44 ILE H H 1 8.284 0.03 . 1 . . . . . . . . 5107 1 520 . 1 1 44 44 ILE HA H 1 3.942 0.03 . 1 . . . . . . . . 5107 1 521 . 1 1 44 44 ILE HB H 1 2.044 0.03 . 1 . . . . . . . . 5107 1 522 . 1 1 44 44 ILE HG12 H 1 0.551 0.03 . 2 . . . . . . . . 5107 1 523 . 1 1 44 44 ILE HG13 H 1 2.224 0.03 . 2 . . . . . . . . 5107 1 524 . 1 1 44 44 ILE HG21 H 1 0.849 0.03 . 1 . . . . . . . . 5107 1 525 . 1 1 44 44 ILE HG22 H 1 0.849 0.03 . 1 . . . . . . . . 5107 1 526 . 1 1 44 44 ILE HG23 H 1 0.849 0.03 . 1 . . . . . . . . 5107 1 527 . 1 1 44 44 ILE HD11 H 1 0.610 0.03 . 1 . . . . . . . . 5107 1 528 . 1 1 44 44 ILE HD12 H 1 0.610 0.03 . 1 . . . . . . . . 5107 1 529 . 1 1 44 44 ILE HD13 H 1 0.610 0.03 . 1 . . . . . . . . 5107 1 530 . 1 1 44 44 ILE C C 13 176.082 0.08 . 1 . . . . . . . . 5107 1 531 . 1 1 44 44 ILE CA C 13 66.259 0.08 . 1 . . . . . . . . 5107 1 532 . 1 1 44 44 ILE CB C 13 38.083 0.08 . 1 . . . . . . . . 5107 1 533 . 1 1 44 44 ILE CG1 C 13 28.722 0.08 . 1 . . . . . . . . 5107 1 534 . 1 1 44 44 ILE CG2 C 13 20.233 0.08 . 1 . . . . . . . . 5107 1 535 . 1 1 44 44 ILE CD1 C 13 13.762 0.08 . 1 . . . . . . . . 5107 1 536 . 1 1 44 44 ILE N N 15 122.323 0.08 . 1 . . . . . . . . 5107 1 537 . 1 1 45 45 ILE H H 1 8.148 0.03 . 1 . . . . . . . . 5107 1 538 . 1 1 45 45 ILE HA H 1 3.424 0.03 . 1 . . . . . . . . 5107 1 539 . 1 1 45 45 ILE HB H 1 1.959 0.03 . 1 . . . . . . . . 5107 1 540 . 1 1 45 45 ILE HG12 H 1 0.900 0.03 . 2 . . . . . . . . 5107 1 541 . 1 1 45 45 ILE HG13 H 1 1.880 0.03 . 2 . . . . . . . . 5107 1 542 . 1 1 45 45 ILE HG21 H 1 0.928 0.03 . 1 . . . . . . . . 5107 1 543 . 1 1 45 45 ILE HG22 H 1 0.928 0.03 . 1 . . . . . . . . 5107 1 544 . 1 1 45 45 ILE HG23 H 1 0.928 0.03 . 1 . . . . . . . . 5107 1 545 . 1 1 45 45 ILE HD11 H 1 0.779 0.03 . 1 . . . . . . . . 5107 1 546 . 1 1 45 45 ILE HD12 H 1 0.779 0.03 . 1 . . . . . . . . 5107 1 547 . 1 1 45 45 ILE HD13 H 1 0.779 0.03 . 1 . . . . . . . . 5107 1 548 . 1 1 45 45 ILE C C 13 178.915 0.08 . 1 . . . . . . . . 5107 1 549 . 1 1 45 45 ILE CA C 13 65.370 0.08 . 1 . . . . . . . . 5107 1 550 . 1 1 45 45 ILE CB C 13 38.583 0.08 . 1 . . . . . . . . 5107 1 551 . 1 1 45 45 ILE CG1 C 13 30.227 0.08 . 1 . . . . . . . . 5107 1 552 . 1 1 45 45 ILE CG2 C 13 18.119 0.08 . 1 . . . . . . . . 5107 1 553 . 1 1 45 45 ILE CD1 C 13 15.646 0.08 . 1 . . . . . . . . 5107 1 554 . 1 1 45 45 ILE N N 15 119.570 0.08 . 1 . . . . . . . . 5107 1 555 . 1 1 46 46 ARG H H 1 8.342 0.03 . 1 . . . . . . . . 5107 1 556 . 1 1 46 46 ARG HA H 1 3.849 0.03 . 1 . . . . . . . . 5107 1 557 . 1 1 46 46 ARG HB2 H 1 0.835 0.03 . 2 . . . . . . . . 5107 1 558 . 1 1 46 46 ARG HB3 H 1 0.508 0.03 . 2 . . . . . . . . 5107 1 559 . 1 1 46 46 ARG HG2 H 1 0.856 0.03 . 2 . . . . . . . . 5107 1 560 . 1 1 46 46 ARG HG3 H 1 1.593 0.03 . 2 . . . . . . . . 5107 1 561 . 1 1 46 46 ARG HD2 H 1 2.398 0.03 . 2 . . . . . . . . 5107 1 562 . 1 1 46 46 ARG HD3 H 1 2.014 0.03 . 2 . . . . . . . . 5107 1 563 . 1 1 46 46 ARG C C 13 177.548 0.08 . 1 . . . . . . . . 5107 1 564 . 1 1 46 46 ARG CA C 13 59.772 0.08 . 1 . . . . . . . . 5107 1 565 . 1 1 46 46 ARG CB C 13 31.151 0.08 . 1 . . . . . . . . 5107 1 566 . 1 1 46 46 ARG CG C 13 27.745 0.08 . 1 . . . . . . . . 5107 1 567 . 1 1 46 46 ARG CD C 13 43.334 0.08 . 1 . . . . . . . . 5107 1 568 . 1 1 46 46 ARG N N 15 113.788 0.08 . 1 . . . . . . . . 5107 1 569 . 1 1 47 47 TYR H H 1 8.321 0.03 . 1 . . . . . . . . 5107 1 570 . 1 1 47 47 TYR HA H 1 5.313 0.03 . 1 . . . . . . . . 5107 1 571 . 1 1 47 47 TYR HB2 H 1 2.982 0.03 . 2 . . . . . . . . 5107 1 572 . 1 1 47 47 TYR C C 13 178.232 0.08 . 1 . . . . . . . . 5107 1 573 . 1 1 47 47 TYR CA C 13 57.516 0.08 . 1 . . . . . . . . 5107 1 574 . 1 1 47 47 TYR CB C 13 39.580 0.08 . 1 . . . . . . . . 5107 1 575 . 1 1 47 47 TYR N N 15 111.480 0.08 . 1 . . . . . . . . 5107 1 576 . 1 1 48 48 TYR H H 1 8.304 0.03 . 1 . . . . . . . . 5107 1 577 . 1 1 48 48 TYR HA H 1 4.858 0.03 . 1 . . . . . . . . 5107 1 578 . 1 1 48 48 TYR HB2 H 1 3.413 0.03 . 2 . . . . . . . . 5107 1 579 . 1 1 48 48 TYR HB3 H 1 3.209 0.03 . 2 . . . . . . . . 5107 1 580 . 1 1 48 48 TYR C C 13 177.352 0.08 . 1 . . . . . . . . 5107 1 581 . 1 1 48 48 TYR CA C 13 59.051 0.08 . 1 . . . . . . . . 5107 1 582 . 1 1 48 48 TYR CB C 13 39.872 0.08 . 1 . . . . . . . . 5107 1 583 . 1 1 48 48 TYR N N 15 115.268 0.08 . 1 . . . . . . . . 5107 1 584 . 1 1 49 49 THR H H 1 7.476 0.03 . 1 . . . . . . . . 5107 1 585 . 1 1 49 49 THR HA H 1 4.808 0.03 . 1 . . . . . . . . 5107 1 586 . 1 1 49 49 THR HB H 1 4.016 0.03 . 1 . . . . . . . . 5107 1 587 . 1 1 49 49 THR HG21 H 1 0.990 0.03 . 1 . . . . . . . . 5107 1 588 . 1 1 49 49 THR HG22 H 1 0.990 0.03 . 1 . . . . . . . . 5107 1 589 . 1 1 49 49 THR HG23 H 1 0.990 0.03 . 1 . . . . . . . . 5107 1 590 . 1 1 49 49 THR C C 13 174.422 0.08 . 1 . . . . . . . . 5107 1 591 . 1 1 49 49 THR CB C 13 73.940 0.08 . 1 . . . . . . . . 5107 1 592 . 1 1 49 49 THR CG2 C 13 21.540 0.08 . 1 . . . . . . . . 5107 1 593 . 1 1 49 49 THR N N 15 108.891 0.08 . 1 . . . . . . . . 5107 1 594 . 1 1 50 50 ARG H H 1 8.399 0.03 . 1 . . . . . . . . 5107 1 595 . 1 1 50 50 ARG HA H 1 4.195 0.03 . 1 . . . . . . . . 5107 1 596 . 1 1 50 50 ARG HB2 H 1 1.166 0.03 . 2 . . . . . . . . 5107 1 597 . 1 1 50 50 ARG HB3 H 1 0.551 0.03 . 2 . . . . . . . . 5107 1 598 . 1 1 50 50 ARG HG2 H 1 1.042 0.03 . 2 . . . . . . . . 5107 1 599 . 1 1 50 50 ARG HD2 H 1 2.994 0.03 . 2 . . . . . . . . 5107 1 600 . 1 1 50 50 ARG HD3 H 1 2.845 0.03 . 2 . . . . . . . . 5107 1 601 . 1 1 50 50 ARG C C 13 171.100 0.08 . 1 . . . . . . . . 5107 1 602 . 1 1 50 50 ARG CA C 13 56.156 0.08 . 1 . . . . . . . . 5107 1 603 . 1 1 50 50 ARG CB C 13 29.793 0.08 . 1 . . . . . . . . 5107 1 604 . 1 1 50 50 ARG CG C 13 26.282 0.08 . 1 . . . . . . . . 5107 1 605 . 1 1 50 50 ARG CD C 13 43.340 0.08 . 1 . . . . . . . . 5107 1 606 . 1 1 50 50 ARG N N 15 121.506 0.08 . 1 . . . . . . . . 5107 1 607 . 1 1 51 51 GLU H H 1 8.671 0.03 . 1 . . . . . . . . 5107 1 608 . 1 1 51 51 GLU HA H 1 4.855 0.03 . 1 . . . . . . . . 5107 1 609 . 1 1 51 51 GLU HB2 H 1 2.202 0.03 . 2 . . . . . . . . 5107 1 610 . 1 1 51 51 GLU HB3 H 1 1.988 0.03 . 2 . . . . . . . . 5107 1 611 . 1 1 51 51 GLU HG2 H 1 2.434 0.03 . 2 . . . . . . . . 5107 1 612 . 1 1 51 51 GLU HG3 H 1 2.065 0.03 . 2 . . . . . . . . 5107 1 613 . 1 1 51 51 GLU C C 13 173.640 0.08 . 1 . . . . . . . . 5107 1 614 . 1 1 51 51 GLU CA C 13 54.486 0.08 . 1 . . . . . . . . 5107 1 615 . 1 1 51 51 GLU CB C 13 30.777 0.08 . 1 . . . . . . . . 5107 1 616 . 1 1 51 51 GLU CG C 13 32.893 0.08 . 1 . . . . . . . . 5107 1 617 . 1 1 51 51 GLU N N 15 121.261 0.08 . 1 . . . . . . . . 5107 1 618 . 1 1 52 52 ALA H H 1 8.879 0.03 . 1 . . . . . . . . 5107 1 619 . 1 1 52 52 ALA HA H 1 4.603 0.03 . 1 . . . . . . . . 5107 1 620 . 1 1 52 52 ALA HB1 H 1 1.432 0.03 . 1 . . . . . . . . 5107 1 621 . 1 1 52 52 ALA HB2 H 1 1.432 0.03 . 1 . . . . . . . . 5107 1 622 . 1 1 52 52 ALA HB3 H 1 1.432 0.03 . 1 . . . . . . . . 5107 1 623 . 1 1 52 52 ALA C C 13 174.910 0.08 . 1 . . . . . . . . 5107 1 624 . 1 1 52 52 ALA CA C 13 53.462 0.08 . 1 . . . . . . . . 5107 1 625 . 1 1 52 52 ALA CB C 13 19.618 0.08 . 1 . . . . . . . . 5107 1 626 . 1 1 52 52 ALA N N 15 125.755 0.08 . 1 . . . . . . . . 5107 1 627 . 1 1 53 53 GLY H H 1 7.484 0.03 . 1 . . . . . . . . 5107 1 628 . 1 1 53 53 GLY HA2 H 1 4.564 0.03 . 2 . . . . . . . . 5107 1 629 . 1 1 53 53 GLY HA3 H 1 3.888 0.03 . 2 . . . . . . . . 5107 1 630 . 1 1 53 53 GLY C C 13 178.427 0.08 . 1 . . . . . . . . 5107 1 631 . 1 1 53 53 GLY CA C 13 44.237 0.08 . 1 . . . . . . . . 5107 1 632 . 1 1 53 53 GLY N N 15 105.445 0.08 . 1 . . . . . . . . 5107 1 633 . 1 1 54 54 VAL H H 1 8.501 0.03 . 1 . . . . . . . . 5107 1 634 . 1 1 54 54 VAL HA H 1 4.933 0.03 . 1 . . . . . . . . 5107 1 635 . 1 1 54 54 VAL HB H 1 2.631 0.03 . 1 . . . . . . . . 5107 1 636 . 1 1 54 54 VAL HG11 H 1 0.723 0.03 . 1 . . . . . . . . 5107 1 637 . 1 1 54 54 VAL HG12 H 1 0.723 0.03 . 1 . . . . . . . . 5107 1 638 . 1 1 54 54 VAL HG13 H 1 0.723 0.03 . 1 . . . . . . . . 5107 1 639 . 1 1 54 54 VAL HG21 H 1 0.843 0.03 . 1 . . . . . . . . 5107 1 640 . 1 1 54 54 VAL HG22 H 1 0.843 0.03 . 1 . . . . . . . . 5107 1 641 . 1 1 54 54 VAL HG23 H 1 0.843 0.03 . 1 . . . . . . . . 5107 1 642 . 1 1 54 54 VAL C C 13 172.370 0.08 . 1 . . . . . . . . 5107 1 643 . 1 1 54 54 VAL CA C 13 60.042 0.08 . 1 . . . . . . . . 5107 1 644 . 1 1 54 54 VAL CB C 13 32.332 0.08 . 1 . . . . . . . . 5107 1 645 . 1 1 54 54 VAL CG1 C 13 22.559 0.08 . 1 . . . . . . . . 5107 1 646 . 1 1 54 54 VAL CG2 C 13 17.795 0.08 . 1 . . . . . . . . 5107 1 647 . 1 1 54 54 VAL N N 15 107.063 0.08 . 1 . . . . . . . . 5107 1 648 . 1 1 55 55 ARG H H 1 7.966 0.03 . 1 . . . . . . . . 5107 1 649 . 1 1 55 55 ARG C C 13 176.766 0.08 . 1 . . . . . . . . 5107 1 650 . 1 1 55 55 ARG N N 15 124.959 0.08 . 1 . . . . . . . . 5107 1 651 . 1 1 56 56 GLY HA2 H 1 3.784 0.03 . 2 . . . . . . . . 5107 1 652 . 1 1 56 56 GLY HA3 H 1 3.639 0.03 . 2 . . . . . . . . 5107 1 653 . 1 1 56 56 GLY CA C 13 46.449 0.08 . 1 . . . . . . . . 5107 1 654 . 1 1 57 57 LEU H H 1 8.878 0.03 . 1 . . . . . . . . 5107 1 655 . 1 1 57 57 LEU HA H 1 3.765 0.03 . 1 . . . . . . . . 5107 1 656 . 1 1 57 57 LEU HB2 H 1 1.899 0.03 . 2 . . . . . . . . 5107 1 657 . 1 1 57 57 LEU HB3 H 1 1.805 0.03 . 2 . . . . . . . . 5107 1 658 . 1 1 57 57 LEU HG H 1 1.411 0.03 . 1 . . . . . . . . 5107 1 659 . 1 1 57 57 LEU HD11 H 1 0.874 0.03 . 1 . . . . . . . . 5107 1 660 . 1 1 57 57 LEU HD12 H 1 0.874 0.03 . 1 . . . . . . . . 5107 1 661 . 1 1 57 57 LEU HD13 H 1 0.874 0.03 . 1 . . . . . . . . 5107 1 662 . 1 1 57 57 LEU HD21 H 1 0.838 0.03 . 1 . . . . . . . . 5107 1 663 . 1 1 57 57 LEU HD22 H 1 0.838 0.03 . 1 . . . . . . . . 5107 1 664 . 1 1 57 57 LEU HD23 H 1 0.838 0.03 . 1 . . . . . . . . 5107 1 665 . 1 1 57 57 LEU C C 13 176.962 0.08 . 1 . . . . . . . . 5107 1 666 . 1 1 57 57 LEU CA C 13 58.494 0.08 . 1 . . . . . . . . 5107 1 667 . 1 1 57 57 LEU CB C 13 40.947 0.08 . 1 . . . . . . . . 5107 1 668 . 1 1 57 57 LEU CG C 13 26.694 0.08 . 1 . . . . . . . . 5107 1 669 . 1 1 57 57 LEU CD1 C 13 24.489 0.08 . 2 . . . . . . . . 5107 1 670 . 1 1 57 57 LEU CD2 C 13 26.479 0.08 . 2 . . . . . . . . 5107 1 671 . 1 1 57 57 LEU N N 15 126.397 0.08 . 1 . . . . . . . . 5107 1 672 . 1 1 58 58 GLU H H 1 8.518 0.03 . 1 . . . . . . . . 5107 1 673 . 1 1 58 58 GLU HA H 1 3.640 0.03 . 1 . . . . . . . . 5107 1 674 . 1 1 58 58 GLU HB2 H 1 2.281 0.03 . 2 . . . . . . . . 5107 1 675 . 1 1 58 58 GLU HB3 H 1 2.075 0.03 . 2 . . . . . . . . 5107 1 676 . 1 1 58 58 GLU HG2 H 1 2.357 0.03 . 2 . . . . . . . . 5107 1 677 . 1 1 58 58 GLU HG3 H 1 2.097 0.03 . 2 . . . . . . . . 5107 1 678 . 1 1 58 58 GLU C C 13 177.841 0.08 . 1 . . . . . . . . 5107 1 679 . 1 1 58 58 GLU CA C 13 60.662 0.08 . 1 . . . . . . . . 5107 1 680 . 1 1 58 58 GLU CB C 13 28.935 0.08 . 1 . . . . . . . . 5107 1 681 . 1 1 58 58 GLU CG C 13 36.611 0.08 . 1 . . . . . . . . 5107 1 682 . 1 1 58 58 GLU N N 15 118.166 0.08 . 1 . . . . . . . . 5107 1 683 . 1 1 59 59 ARG H H 1 7.983 0.03 . 1 . . . . . . . . 5107 1 684 . 1 1 59 59 ARG HA H 1 4.059 0.03 . 1 . . . . . . . . 5107 1 685 . 1 1 59 59 ARG HB2 H 1 2.088 0.03 . 2 . . . . . . . . 5107 1 686 . 1 1 59 59 ARG HB3 H 1 2.175 0.03 . 2 . . . . . . . . 5107 1 687 . 1 1 59 59 ARG HG2 H 1 1.561 0.03 . 2 . . . . . . . . 5107 1 688 . 1 1 59 59 ARG HG3 H 1 1.914 0.03 . 2 . . . . . . . . 5107 1 689 . 1 1 59 59 ARG HD2 H 1 3.302 0.03 . 2 . . . . . . . . 5107 1 690 . 1 1 59 59 ARG HD3 H 1 3.308 0.03 . 2 . . . . . . . . 5107 1 691 . 1 1 59 59 ARG C C 13 177.841 0.08 . 1 . . . . . . . . 5107 1 692 . 1 1 59 59 ARG CA C 13 59.781 0.08 . 1 . . . . . . . . 5107 1 693 . 1 1 59 59 ARG CB C 13 29.793 0.08 . 1 . . . . . . . . 5107 1 694 . 1 1 59 59 ARG CG C 13 27.576 0.08 . 1 . . . . . . . . 5107 1 695 . 1 1 59 59 ARG CD C 13 43.293 0.08 . 1 . . . . . . . . 5107 1 696 . 1 1 59 59 ARG N N 15 120.496 0.08 . 1 . . . . . . . . 5107 1 697 . 1 1 60 60 GLU H H 1 8.517 0.03 . 1 . . . . . . . . 5107 1 698 . 1 1 60 60 GLU HA H 1 4.235 0.03 . 1 . . . . . . . . 5107 1 699 . 1 1 60 60 GLU HB2 H 1 2.089 0.03 . 2 . . . . . . . . 5107 1 700 . 1 1 60 60 GLU HB3 H 1 1.896 0.03 . 2 . . . . . . . . 5107 1 701 . 1 1 60 60 GLU HG2 H 1 2.548 0.03 . 2 . . . . . . . . 5107 1 702 . 1 1 60 60 GLU HG3 H 1 2.095 0.03 . 2 . . . . . . . . 5107 1 703 . 1 1 60 60 GLU C C 13 180.060 0.08 . 1 . . . . . . . . 5107 1 704 . 1 1 60 60 GLU CA C 13 58.478 0.08 . 1 . . . . . . . . 5107 1 705 . 1 1 60 60 GLU CB C 13 29.581 0.08 . 1 . . . . . . . . 5107 1 706 . 1 1 60 60 GLU CG C 13 34.965 0.08 . 1 . . . . . . . . 5107 1 707 . 1 1 60 60 GLU N N 15 119.113 0.08 . 1 . . . . . . . . 5107 1 708 . 1 1 61 61 ILE H H 1 8.292 0.03 . 1 . . . . . . . . 5107 1 709 . 1 1 61 61 ILE HA H 1 3.493 0.03 . 1 . . . . . . . . 5107 1 710 . 1 1 61 61 ILE HB H 1 1.971 0.03 . 1 . . . . . . . . 5107 1 711 . 1 1 61 61 ILE HG12 H 1 0.739 0.03 . 2 . . . . . . . . 5107 1 712 . 1 1 61 61 ILE HG13 H 1 1.901 0.03 . 2 . . . . . . . . 5107 1 713 . 1 1 61 61 ILE HG21 H 1 0.772 0.03 . 1 . . . . . . . . 5107 1 714 . 1 1 61 61 ILE HG22 H 1 0.772 0.03 . 1 . . . . . . . . 5107 1 715 . 1 1 61 61 ILE HG23 H 1 0.772 0.03 . 1 . . . . . . . . 5107 1 716 . 1 1 61 61 ILE C C 13 179.111 0.08 . 1 . . . . . . . . 5107 1 717 . 1 1 61 61 ILE CA C 13 65.954 0.08 . 1 . . . . . . . . 5107 1 718 . 1 1 61 61 ILE CB C 13 37.502 0.08 . 1 . . . . . . . . 5107 1 719 . 1 1 61 61 ILE CG1 C 13 30.604 0.08 . 1 . . . . . . . . 5107 1 720 . 1 1 61 61 ILE CG2 C 13 18.075 0.08 . 1 . . . . . . . . 5107 1 721 . 1 1 61 61 ILE CD1 C 13 14.283 0.08 . 1 . . . . . . . . 5107 1 722 . 1 1 61 61 ILE N N 15 119.457 0.08 . 1 . . . . . . . . 5107 1 723 . 1 1 62 62 SER H H 1 8.679 0.03 . 1 . . . . . . . . 5107 1 724 . 1 1 62 62 SER HA H 1 4.466 0.03 . 1 . . . . . . . . 5107 1 725 . 1 1 62 62 SER HB2 H 1 3.941 0.03 . 2 . . . . . . . . 5107 1 726 . 1 1 62 62 SER C C 13 178.134 0.08 . 1 . . . . . . . . 5107 1 727 . 1 1 62 62 SER CA C 13 61.475 0.08 . 1 . . . . . . . . 5107 1 728 . 1 1 62 62 SER CB C 13 62.539 0.08 . 1 . . . . . . . . 5107 1 729 . 1 1 62 62 SER N N 15 116.487 0.08 . 1 . . . . . . . . 5107 1 730 . 1 1 63 63 LYS H H 1 7.684 0.03 . 1 . . . . . . . . 5107 1 731 . 1 1 63 63 LYS HA H 1 3.916 0.03 . 1 . . . . . . . . 5107 1 732 . 1 1 63 63 LYS HB2 H 1 1.980 0.03 . 2 . . . . . . . . 5107 1 733 . 1 1 63 63 LYS HB3 H 1 1.891 0.03 . 2 . . . . . . . . 5107 1 734 . 1 1 63 63 LYS HG2 H 1 1.603 0.03 . 2 . . . . . . . . 5107 1 735 . 1 1 63 63 LYS HG3 H 1 1.335 0.03 . 2 . . . . . . . . 5107 1 736 . 1 1 63 63 LYS HD2 H 1 1.728 0.03 . 2 . . . . . . . . 5107 1 737 . 1 1 63 63 LYS HE2 H 1 2.894 0.03 . 2 . . . . . . . . 5107 1 738 . 1 1 63 63 LYS C C 13 176.473 0.08 . 1 . . . . . . . . 5107 1 739 . 1 1 63 63 LYS CA C 13 60.201 0.08 . 1 . . . . . . . . 5107 1 740 . 1 1 63 63 LYS CB C 13 32.558 0.08 . 1 . . . . . . . . 5107 1 741 . 1 1 63 63 LYS CG C 13 25.639 0.08 . 1 . . . . . . . . 5107 1 742 . 1 1 63 63 LYS CD C 13 30.085 0.08 . 1 . . . . . . . . 5107 1 743 . 1 1 63 63 LYS CE C 13 41.948 0.08 . 1 . . . . . . . . 5107 1 744 . 1 1 63 63 LYS N N 15 121.089 0.08 . 1 . . . . . . . . 5107 1 745 . 1 1 64 64 LEU H H 1 8.106 0.03 . 1 . . . . . . . . 5107 1 746 . 1 1 64 64 LEU HA H 1 3.833 0.03 . 1 . . . . . . . . 5107 1 747 . 1 1 64 64 LEU HB2 H 1 1.895 0.03 . 2 . . . . . . . . 5107 1 748 . 1 1 64 64 LEU HB3 H 1 1.524 0.03 . 2 . . . . . . . . 5107 1 749 . 1 1 64 64 LEU HD11 H 1 0.647 0.03 . 1 . . . . . . . . 5107 1 750 . 1 1 64 64 LEU HD12 H 1 0.647 0.03 . 1 . . . . . . . . 5107 1 751 . 1 1 64 64 LEU HD13 H 1 0.647 0.03 . 1 . . . . . . . . 5107 1 752 . 1 1 64 64 LEU HD21 H 1 0.618 0.03 . 1 . . . . . . . . 5107 1 753 . 1 1 64 64 LEU HD22 H 1 0.618 0.03 . 1 . . . . . . . . 5107 1 754 . 1 1 64 64 LEU HD23 H 1 0.618 0.03 . 1 . . . . . . . . 5107 1 755 . 1 1 64 64 LEU C C 13 179.111 0.08 . 1 . . . . . . . . 5107 1 756 . 1 1 64 64 LEU CA C 13 58.596 0.08 . 1 . . . . . . . . 5107 1 757 . 1 1 64 64 LEU CB C 13 41.744 0.08 . 1 . . . . . . . . 5107 1 758 . 1 1 64 64 LEU CD1 C 13 25.780 0.08 . 2 . . . . . . . . 5107 1 759 . 1 1 64 64 LEU CD2 C 13 24.848 0.08 . 2 . . . . . . . . 5107 1 760 . 1 1 64 64 LEU N N 15 118.789 0.08 . 1 . . . . . . . . 5107 1 761 . 1 1 65 65 CYS H H 1 7.918 0.03 . 1 . . . . . . . . 5107 1 762 . 1 1 65 65 CYS HA H 1 3.806 0.03 . 1 . . . . . . . . 5107 1 763 . 1 1 65 65 CYS HB2 H 1 3.066 0.03 . 2 . . . . . . . . 5107 1 764 . 1 1 65 65 CYS HB3 H 1 2.311 0.03 . 2 . . . . . . . . 5107 1 765 . 1 1 65 65 CYS C C 13 178.329 0.08 . 1 . . . . . . . . 5107 1 766 . 1 1 65 65 CYS CA C 13 64.408 0.08 . 1 . . . . . . . . 5107 1 767 . 1 1 65 65 CYS CB C 13 27.632 0.08 . 1 . . . . . . . . 5107 1 768 . 1 1 65 65 CYS N N 15 115.512 0.08 . 1 . . . . . . . . 5107 1 769 . 1 1 66 66 ARG H H 1 8.186 0.03 . 1 . . . . . . . . 5107 1 770 . 1 1 66 66 ARG HA H 1 3.942 0.03 . 1 . . . . . . . . 5107 1 771 . 1 1 66 66 ARG HB2 H 1 1.930 0.03 . 2 . . . . . . . . 5107 1 772 . 1 1 66 66 ARG HG2 H 1 1.845 0.03 . 2 . . . . . . . . 5107 1 773 . 1 1 66 66 ARG HG3 H 1 1.675 0.03 . 2 . . . . . . . . 5107 1 774 . 1 1 66 66 ARG HD2 H 1 3.222 0.03 . 2 . . . . . . . . 5107 1 775 . 1 1 66 66 ARG C C 13 176.180 0.08 . 1 . . . . . . . . 5107 1 776 . 1 1 66 66 ARG CA C 13 59.542 0.08 . 1 . . . . . . . . 5107 1 777 . 1 1 66 66 ARG CB C 13 30.084 0.08 . 1 . . . . . . . . 5107 1 778 . 1 1 66 66 ARG CG C 13 27.660 0.08 . 1 . . . . . . . . 5107 1 779 . 1 1 66 66 ARG CD C 13 43.556 0.08 . 1 . . . . . . . . 5107 1 780 . 1 1 66 66 ARG N N 15 118.545 0.08 . 1 . . . . . . . . 5107 1 781 . 1 1 67 67 LYS H H 1 8.094 0.03 . 1 . . . . . . . . 5107 1 782 . 1 1 67 67 LYS HA H 1 4.138 0.03 . 1 . . . . . . . . 5107 1 783 . 1 1 67 67 LYS HB2 H 1 2.097 0.03 . 2 . . . . . . . . 5107 1 784 . 1 1 67 67 LYS HB3 H 1 2.109 0.03 . 2 . . . . . . . . 5107 1 785 . 1 1 67 67 LYS HG2 H 1 1.723 0.03 . 2 . . . . . . . . 5107 1 786 . 1 1 67 67 LYS HG3 H 1 1.549 0.03 . 2 . . . . . . . . 5107 1 787 . 1 1 67 67 LYS HD2 H 1 1.719 0.03 . 2 . . . . . . . . 5107 1 788 . 1 1 67 67 LYS HE2 H 1 2.967 0.03 . 2 . . . . . . . . 5107 1 789 . 1 1 67 67 LYS C C 13 179.501 0.08 . 1 . . . . . . . . 5107 1 790 . 1 1 67 67 LYS CA C 13 59.196 0.08 . 1 . . . . . . . . 5107 1 791 . 1 1 67 67 LYS CB C 13 32.417 0.08 . 1 . . . . . . . . 5107 1 792 . 1 1 67 67 LYS CG C 13 26.011 0.08 . 4 . . . . . . . . 5107 1 793 . 1 1 67 67 LYS CD C 13 29.083 0.08 . 4 . . . . . . . . 5107 1 794 . 1 1 67 67 LYS CE C 13 42.131 0.08 . 1 . . . . . . . . 5107 1 795 . 1 1 67 67 LYS N N 15 119.205 0.08 . 1 . . . . . . . . 5107 1 796 . 1 1 68 68 ALA H H 1 8.377 0.03 . 1 . . . . . . . . 5107 1 797 . 1 1 68 68 ALA HA H 1 4.219 0.03 . 1 . . . . . . . . 5107 1 798 . 1 1 68 68 ALA HB1 H 1 1.395 0.03 . 1 . . . . . . . . 5107 1 799 . 1 1 68 68 ALA HB2 H 1 1.395 0.03 . 1 . . . . . . . . 5107 1 800 . 1 1 68 68 ALA HB3 H 1 1.395 0.03 . 1 . . . . . . . . 5107 1 801 . 1 1 68 68 ALA C C 13 179.013 0.08 . 1 . . . . . . . . 5107 1 802 . 1 1 68 68 ALA CA C 13 55.551 0.08 . 1 . . . . . . . . 5107 1 803 . 1 1 68 68 ALA CB C 13 18.765 0.08 . 1 . . . . . . . . 5107 1 804 . 1 1 68 68 ALA N N 15 122.588 0.08 . 1 . . . . . . . . 5107 1 805 . 1 1 69 69 VAL H H 1 8.034 0.03 . 1 . . . . . . . . 5107 1 806 . 1 1 69 69 VAL HA H 1 3.644 0.03 . 1 . . . . . . . . 5107 1 807 . 1 1 69 69 VAL HB H 1 2.135 0.03 . 1 . . . . . . . . 5107 1 808 . 1 1 69 69 VAL HG11 H 1 1.185 0.03 . 2 . . . . . . . . 5107 1 809 . 1 1 69 69 VAL HG12 H 1 1.185 0.03 . 2 . . . . . . . . 5107 1 810 . 1 1 69 69 VAL HG13 H 1 1.185 0.03 . 2 . . . . . . . . 5107 1 811 . 1 1 69 69 VAL HG21 H 1 1.076 0.03 . 2 . . . . . . . . 5107 1 812 . 1 1 69 69 VAL HG22 H 1 1.076 0.03 . 2 . . . . . . . . 5107 1 813 . 1 1 69 69 VAL HG23 H 1 1.076 0.03 . 2 . . . . . . . . 5107 1 814 . 1 1 69 69 VAL C C 13 178.622 0.08 . 1 . . . . . . . . 5107 1 815 . 1 1 69 69 VAL CA C 13 66.626 0.08 . 1 . . . . . . . . 5107 1 816 . 1 1 69 69 VAL CB C 13 31.927 0.08 . 1 . . . . . . . . 5107 1 817 . 1 1 69 69 VAL CG1 C 13 23.459 0.08 . 2 . . . . . . . . 5107 1 818 . 1 1 69 69 VAL CG2 C 13 20.849 0.08 . 2 . . . . . . . . 5107 1 819 . 1 1 69 69 VAL N N 15 116.318 0.08 . 1 . . . . . . . . 5107 1 820 . 1 1 70 70 LYS H H 1 7.279 0.03 . 1 . . . . . . . . 5107 1 821 . 1 1 70 70 LYS HA H 1 4.021 0.03 . 1 . . . . . . . . 5107 1 822 . 1 1 70 70 LYS HB2 H 1 1.979 0.03 . 2 . . . . . . . . 5107 1 823 . 1 1 70 70 LYS HB3 H 1 1.605 0.03 . 2 . . . . . . . . 5107 1 824 . 1 1 70 70 LYS HG2 H 1 1.511 0.03 . 2 . . . . . . . . 5107 1 825 . 1 1 70 70 LYS HG3 H 1 1.374 0.03 . 2 . . . . . . . . 5107 1 826 . 1 1 70 70 LYS HD2 H 1 1.699 0.03 . 2 . . . . . . . . 5107 1 827 . 1 1 70 70 LYS HE2 H 1 2.983 0.03 . 2 . . . . . . . . 5107 1 828 . 1 1 70 70 LYS C C 13 177.939 0.08 . 1 . . . . . . . . 5107 1 829 . 1 1 70 70 LYS CA C 13 59.237 0.08 . 1 . . . . . . . . 5107 1 830 . 1 1 70 70 LYS CB C 13 32.136 0.08 . 1 . . . . . . . . 5107 1 831 . 1 1 70 70 LYS CG C 13 24.937 0.08 . 4 . . . . . . . . 5107 1 832 . 1 1 70 70 LYS CD C 13 29.118 0.08 . 4 . . . . . . . . 5107 1 833 . 1 1 70 70 LYS CE C 13 42.209 0.08 . 1 . . . . . . . . 5107 1 834 . 1 1 70 70 LYS N N 15 118.503 0.08 . 1 . . . . . . . . 5107 1 835 . 1 1 71 71 GLN H H 1 8.047 0.03 . 1 . . . . . . . . 5107 1 836 . 1 1 71 71 GLN HA H 1 3.984 0.03 . 1 . . . . . . . . 5107 1 837 . 1 1 71 71 GLN HB2 H 1 2.093 0.03 . 2 . . . . . . . . 5107 1 838 . 1 1 71 71 GLN HB3 H 1 2.329 0.03 . 2 . . . . . . . . 5107 1 839 . 1 1 71 71 GLN HG2 H 1 2.557 0.03 . 2 . . . . . . . . 5107 1 840 . 1 1 71 71 GLN HG3 H 1 2.350 0.03 . 2 . . . . . . . . 5107 1 841 . 1 1 71 71 GLN CA C 13 59.258 0.08 . 1 . . . . . . . . 5107 1 842 . 1 1 71 71 GLN CB C 13 28.547 0.08 . 1 . . . . . . . . 5107 1 843 . 1 1 71 71 GLN CG C 13 34.005 0.08 . 1 . . . . . . . . 5107 1 844 . 1 1 71 71 GLN N N 15 118.673 0.08 . 1 . . . . . . . . 5107 1 845 . 1 1 72 72 LEU H H 1 7.996 0.03 . 1 . . . . . . . . 5107 1 846 . 1 1 72 72 LEU HA H 1 4.067 0.03 . 1 . . . . . . . . 5107 1 847 . 1 1 72 72 LEU HB2 H 1 1.898 0.03 . 2 . . . . . . . . 5107 1 848 . 1 1 72 72 LEU HB3 H 1 1.513 0.03 . 2 . . . . . . . . 5107 1 849 . 1 1 72 72 LEU HG H 1 1.740 0.03 . 1 . . . . . . . . 5107 1 850 . 1 1 72 72 LEU HD11 H 1 0.667 0.03 . 2 . . . . . . . . 5107 1 851 . 1 1 72 72 LEU HD12 H 1 0.667 0.03 . 2 . . . . . . . . 5107 1 852 . 1 1 72 72 LEU HD13 H 1 0.667 0.03 . 2 . . . . . . . . 5107 1 853 . 1 1 72 72 LEU HD21 H 1 0.700 0.03 . 2 . . . . . . . . 5107 1 854 . 1 1 72 72 LEU HD22 H 1 0.700 0.03 . 2 . . . . . . . . 5107 1 855 . 1 1 72 72 LEU HD23 H 1 0.700 0.03 . 2 . . . . . . . . 5107 1 856 . 1 1 72 72 LEU C C 13 178.915 0.08 . 1 . . . . . . . . 5107 1 857 . 1 1 72 72 LEU CA C 13 57.619 0.08 . 1 . . . . . . . . 5107 1 858 . 1 1 72 72 LEU CB C 13 41.728 0.08 . 1 . . . . . . . . 5107 1 859 . 1 1 72 72 LEU CG C 13 26.739 0.08 . 1 . . . . . . . . 5107 1 860 . 1 1 72 72 LEU CD1 C 13 22.937 0.08 . 2 . . . . . . . . 5107 1 861 . 1 1 72 72 LEU CD2 C 13 26.056 0.08 . 2 . . . . . . . . 5107 1 862 . 1 1 72 72 LEU N N 15 118.620 0.08 . 1 . . . . . . . . 5107 1 863 . 1 1 73 73 LEU H H 1 7.775 0.03 . 1 . . . . . . . . 5107 1 864 . 1 1 73 73 LEU HA H 1 4.111 0.03 . 1 . . . . . . . . 5107 1 865 . 1 1 73 73 LEU HB2 H 1 1.613 0.03 . 2 . . . . . . . . 5107 1 866 . 1 1 73 73 LEU HB3 H 1 1.868 0.03 . 2 . . . . . . . . 5107 1 867 . 1 1 73 73 LEU HG H 1 1.846 0.03 . 1 . . . . . . . . 5107 1 868 . 1 1 73 73 LEU HD11 H 1 0.898 0.03 . 2 . . . . . . . . 5107 1 869 . 1 1 73 73 LEU HD12 H 1 0.898 0.03 . 2 . . . . . . . . 5107 1 870 . 1 1 73 73 LEU HD13 H 1 0.898 0.03 . 2 . . . . . . . . 5107 1 871 . 1 1 73 73 LEU HD21 H 1 0.905 0.03 . 2 . . . . . . . . 5107 1 872 . 1 1 73 73 LEU HD22 H 1 0.905 0.03 . 2 . . . . . . . . 5107 1 873 . 1 1 73 73 LEU HD23 H 1 0.905 0.03 . 2 . . . . . . . . 5107 1 874 . 1 1 73 73 LEU C C 13 179.013 0.08 . 1 . . . . . . . . 5107 1 875 . 1 1 73 73 LEU CA C 13 56.898 0.08 . 1 . . . . . . . . 5107 1 876 . 1 1 73 73 LEU CB C 13 42.354 0.08 . 1 . . . . . . . . 5107 1 877 . 1 1 73 73 LEU CG C 13 27.086 0.08 . 1 . . . . . . . . 5107 1 878 . 1 1 73 73 LEU CD1 C 13 24.869 0.08 . 2 . . . . . . . . 5107 1 879 . 1 1 73 73 LEU CD2 C 13 23.358 0.08 . 2 . . . . . . . . 5107 1 880 . 1 1 73 73 LEU N N 15 117.621 0.08 . 1 . . . . . . . . 5107 1 881 . 1 1 74 74 LEU H H 1 7.640 0.03 . 1 . . . . . . . . 5107 1 882 . 1 1 74 74 LEU HA H 1 4.212 0.03 . 1 . . . . . . . . 5107 1 883 . 1 1 74 74 LEU HB2 H 1 1.802 0.03 . 2 . . . . . . . . 5107 1 884 . 1 1 74 74 LEU HB3 H 1 1.600 0.03 . 2 . . . . . . . . 5107 1 885 . 1 1 74 74 LEU HG H 1 1.830 0.03 . 1 . . . . . . . . 5107 1 886 . 1 1 74 74 LEU HD11 H 1 0.891 0.03 . 1 . . . . . . . . 5107 1 887 . 1 1 74 74 LEU HD12 H 1 0.891 0.03 . 1 . . . . . . . . 5107 1 888 . 1 1 74 74 LEU HD13 H 1 0.891 0.03 . 1 . . . . . . . . 5107 1 889 . 1 1 74 74 LEU C C 13 179.208 0.08 . 1 . . . . . . . . 5107 1 890 . 1 1 74 74 LEU CA C 13 56.324 0.08 . 1 . . . . . . . . 5107 1 891 . 1 1 74 74 LEU CB C 13 42.878 0.08 . 1 . . . . . . . . 5107 1 892 . 1 1 74 74 LEU CG C 13 27.012 0.08 . 1 . . . . . . . . 5107 1 893 . 1 1 74 74 LEU CD1 C 13 24.896 0.08 . 2 . . . . . . . . 5107 1 894 . 1 1 74 74 LEU CD2 C 13 23.301 0.08 . 2 . . . . . . . . 5107 1 895 . 1 1 74 74 LEU N N 15 117.862 0.08 . 1 . . . . . . . . 5107 1 896 . 1 1 75 75 ASP H H 1 7.595 0.03 . 1 . . . . . . . . 5107 1 897 . 1 1 75 75 ASP HA H 1 4.865 0.03 . 1 . . . . . . . . 5107 1 898 . 1 1 75 75 ASP HB2 H 1 3.025 0.03 . 2 . . . . . . . . 5107 1 899 . 1 1 75 75 ASP HB3 H 1 2.470 0.03 . 2 . . . . . . . . 5107 1 900 . 1 1 75 75 ASP C C 13 177.450 0.08 . 1 . . . . . . . . 5107 1 901 . 1 1 75 75 ASP CA C 13 52.471 0.08 . 1 . . . . . . . . 5107 1 902 . 1 1 75 75 ASP CB C 13 40.836 0.08 . 1 . . . . . . . . 5107 1 903 . 1 1 75 75 ASP N N 15 118.288 0.08 . 1 . . . . . . . . 5107 1 904 . 1 1 76 76 LYS H H 1 8.471 0.03 . 1 . . . . . . . . 5107 1 905 . 1 1 76 76 LYS HA H 1 4.412 0.03 . 1 . . . . . . . . 5107 1 906 . 1 1 76 76 LYS HB2 H 1 1.847 0.03 . 2 . . . . . . . . 5107 1 907 . 1 1 76 76 LYS HB3 H 1 1.992 0.03 . 2 . . . . . . . . 5107 1 908 . 1 1 76 76 LYS HG2 H 1 1.816 0.03 . 2 . . . . . . . . 5107 1 909 . 1 1 76 76 LYS HG3 H 1 1.730 0.03 . 2 . . . . . . . . 5107 1 910 . 1 1 76 76 LYS HD2 H 1 1.560 0.03 . 2 . . . . . . . . 5107 1 911 . 1 1 76 76 LYS HD3 H 1 1.633 0.03 . 2 . . . . . . . . 5107 1 912 . 1 1 76 76 LYS HE2 H 1 3.069 0.03 . 2 . . . . . . . . 5107 1 913 . 1 1 76 76 LYS C C 13 175.594 0.08 . 1 . . . . . . . . 5107 1 914 . 1 1 76 76 LYS CA C 13 57.364 0.08 . 1 . . . . . . . . 5107 1 915 . 1 1 76 76 LYS CB C 13 31.597 0.08 . 1 . . . . . . . . 5107 1 916 . 1 1 76 76 LYS CG C 13 28.816 0.08 . 4 . . . . . . . . 5107 1 917 . 1 1 76 76 LYS CD C 13 24.865 0.08 . 4 . . . . . . . . 5107 1 918 . 1 1 76 76 LYS CE C 13 42.340 0.08 . 1 . . . . . . . . 5107 1 919 . 1 1 76 76 LYS N N 15 121.629 0.08 . 1 . . . . . . . . 5107 1 920 . 1 1 77 77 SER H H 1 8.507 0.03 . 1 . . . . . . . . 5107 1 921 . 1 1 77 77 SER HA H 1 4.392 0.03 . 1 . . . . . . . . 5107 1 922 . 1 1 77 77 SER HB2 H 1 4.005 0.03 . 2 . . . . . . . . 5107 1 923 . 1 1 77 77 SER HB3 H 1 3.879 0.03 . 2 . . . . . . . . 5107 1 924 . 1 1 77 77 SER C C 13 177.548 0.08 . 1 . . . . . . . . 5107 1 925 . 1 1 77 77 SER CA C 13 59.473 0.08 . 1 . . . . . . . . 5107 1 926 . 1 1 77 77 SER CB C 13 64.042 0.08 . 1 . . . . . . . . 5107 1 927 . 1 1 77 77 SER N N 15 114.690 0.08 . 1 . . . . . . . . 5107 1 928 . 1 1 78 78 LEU H H 1 7.542 0.03 . 1 . . . . . . . . 5107 1 929 . 1 1 78 78 LEU HA H 1 4.253 0.03 . 1 . . . . . . . . 5107 1 930 . 1 1 78 78 LEU HB2 H 1 1.695 0.03 . 2 . . . . . . . . 5107 1 931 . 1 1 78 78 LEU HB3 H 1 1.631 0.03 . 2 . . . . . . . . 5107 1 932 . 1 1 78 78 LEU HG H 1 1.488 0.03 . 1 . . . . . . . . 5107 1 933 . 1 1 78 78 LEU HD11 H 1 0.842 0.03 . 1 . . . . . . . . 5107 1 934 . 1 1 78 78 LEU HD12 H 1 0.842 0.03 . 1 . . . . . . . . 5107 1 935 . 1 1 78 78 LEU HD13 H 1 0.842 0.03 . 1 . . . . . . . . 5107 1 936 . 1 1 78 78 LEU HD21 H 1 0.958 0.03 . 1 . . . . . . . . 5107 1 937 . 1 1 78 78 LEU HD22 H 1 0.958 0.03 . 1 . . . . . . . . 5107 1 938 . 1 1 78 78 LEU HD23 H 1 0.958 0.03 . 1 . . . . . . . . 5107 1 939 . 1 1 78 78 LEU C C 13 174.617 0.08 . 1 . . . . . . . . 5107 1 940 . 1 1 78 78 LEU CA C 13 55.659 0.08 . 1 . . . . . . . . 5107 1 941 . 1 1 78 78 LEU CB C 13 43.082 0.08 . 1 . . . . . . . . 5107 1 942 . 1 1 78 78 LEU CG C 13 26.696 0.08 . 1 . . . . . . . . 5107 1 943 . 1 1 78 78 LEU CD1 C 13 24.553 0.08 . 2 . . . . . . . . 5107 1 944 . 1 1 78 78 LEU CD2 C 13 24.242 0.08 . 2 . . . . . . . . 5107 1 945 . 1 1 78 78 LEU N N 15 125.388 0.08 . 1 . . . . . . . . 5107 1 946 . 1 1 79 79 LYS H H 1 8.661 0.03 . 1 . . . . . . . . 5107 1 947 . 1 1 79 79 LYS HA H 1 4.333 0.03 . 1 . . . . . . . . 5107 1 948 . 1 1 79 79 LYS HB2 H 1 1.798 0.03 . 2 . . . . . . . . 5107 1 949 . 1 1 79 79 LYS HB3 H 1 1.683 0.03 . 2 . . . . . . . . 5107 1 950 . 1 1 79 79 LYS HG2 H 1 1.404 0.03 . 2 . . . . . . . . 5107 1 951 . 1 1 79 79 LYS HG3 H 1 1.370 0.03 . 2 . . . . . . . . 5107 1 952 . 1 1 79 79 LYS HD2 H 1 1.615 0.03 . 2 . . . . . . . . 5107 1 953 . 1 1 79 79 LYS HD3 H 1 1.666 0.03 . 2 . . . . . . . . 5107 1 954 . 1 1 79 79 LYS HE2 H 1 2.984 0.03 . 2 . . . . . . . . 5107 1 955 . 1 1 79 79 LYS C C 13 176.766 0.08 . 1 . . . . . . . . 5107 1 956 . 1 1 79 79 LYS CA C 13 56.440 0.08 . 1 . . . . . . . . 5107 1 957 . 1 1 79 79 LYS CB C 13 33.245 0.08 . 1 . . . . . . . . 5107 1 958 . 1 1 79 79 LYS CG C 13 24.568 0.08 . 4 . . . . . . . . 5107 1 959 . 1 1 79 79 LYS CD C 13 28.526 0.08 . 4 . . . . . . . . 5107 1 960 . 1 1 79 79 LYS CE C 13 42.311 0.08 . 1 . . . . . . . . 5107 1 961 . 1 1 79 79 LYS N N 15 118.544 0.08 . 1 . . . . . . . . 5107 1 962 . 1 1 80 80 HIS H H 1 7.771 0.03 . 1 . . . . . . . . 5107 1 963 . 1 1 80 80 HIS HA H 1 5.256 0.03 . 1 . . . . . . . . 5107 1 964 . 1 1 80 80 HIS HB2 H 1 3.175 0.03 . 2 . . . . . . . . 5107 1 965 . 1 1 80 80 HIS HB3 H 1 3.099 0.03 . 2 . . . . . . . . 5107 1 966 . 1 1 80 80 HIS C C 13 176.473 0.08 . 1 . . . . . . . . 5107 1 967 . 1 1 80 80 HIS CA C 13 54.488 0.08 . 1 . . . . . . . . 5107 1 968 . 1 1 80 80 HIS CB C 13 30.885 0.08 . 1 . . . . . . . . 5107 1 969 . 1 1 80 80 HIS N N 15 116.078 0.08 . 1 . . . . . . . . 5107 1 970 . 1 1 81 81 ILE H H 1 8.597 0.03 . 1 . . . . . . . . 5107 1 971 . 1 1 81 81 ILE HA H 1 4.141 0.03 . 1 . . . . . . . . 5107 1 972 . 1 1 81 81 ILE HB H 1 1.609 0.03 . 1 . . . . . . . . 5107 1 973 . 1 1 81 81 ILE HG12 H 1 1.139 0.03 . 2 . . . . . . . . 5107 1 974 . 1 1 81 81 ILE HG13 H 1 1.389 0.03 . 2 . . . . . . . . 5107 1 975 . 1 1 81 81 ILE HG21 H 1 0.676 0.03 . 1 . . . . . . . . 5107 1 976 . 1 1 81 81 ILE HG22 H 1 0.676 0.03 . 1 . . . . . . . . 5107 1 977 . 1 1 81 81 ILE HG23 H 1 0.676 0.03 . 1 . . . . . . . . 5107 1 978 . 1 1 81 81 ILE HD11 H 1 0.848 0.03 . 1 . . . . . . . . 5107 1 979 . 1 1 81 81 ILE HD12 H 1 0.848 0.03 . 1 . . . . . . . . 5107 1 980 . 1 1 81 81 ILE HD13 H 1 0.848 0.03 . 1 . . . . . . . . 5107 1 981 . 1 1 81 81 ILE C C 13 176.165 0.08 . 1 . . . . . . . . 5107 1 982 . 1 1 81 81 ILE CA C 13 60.128 0.08 . 1 . . . . . . . . 5107 1 983 . 1 1 81 81 ILE CB C 13 40.895 0.08 . 1 . . . . . . . . 5107 1 984 . 1 1 81 81 ILE CG1 C 13 27.763 0.08 . 1 . . . . . . . . 5107 1 985 . 1 1 81 81 ILE CG2 C 13 17.630 0.08 . 1 . . . . . . . . 5107 1 986 . 1 1 81 81 ILE CD1 C 13 14.111 0.08 . 1 . . . . . . . . 5107 1 987 . 1 1 81 81 ILE N N 15 125.205 0.08 . 1 . . . . . . . . 5107 1 988 . 1 1 82 82 GLU H H 1 8.372 0.03 . 1 . . . . . . . . 5107 1 989 . 1 1 82 82 GLU HA H 1 5.108 0.03 . 1 . . . . . . . . 5107 1 990 . 1 1 82 82 GLU HB2 H 1 1.828 0.03 . 2 . . . . . . . . 5107 1 991 . 1 1 82 82 GLU HB3 H 1 1.946 0.03 . 2 . . . . . . . . 5107 1 992 . 1 1 82 82 GLU HG2 H 1 2.080 0.03 . 2 . . . . . . . . 5107 1 993 . 1 1 82 82 GLU HG3 H 1 1.939 0.03 . 2 . . . . . . . . 5107 1 994 . 1 1 82 82 GLU C C 13 173.542 0.08 . 1 . . . . . . . . 5107 1 995 . 1 1 82 82 GLU CA C 13 54.277 0.08 . 1 . . . . . . . . 5107 1 996 . 1 1 82 82 GLU CB C 13 31.354 0.08 . 1 . . . . . . . . 5107 1 997 . 1 1 82 82 GLU CG C 13 35.388 0.08 . 1 . . . . . . . . 5107 1 998 . 1 1 82 82 GLU N N 15 127.163 0.08 . 1 . . . . . . . . 5107 1 999 . 1 1 83 83 ILE H H 1 8.693 0.03 . 1 . . . . . . . . 5107 1 1000 . 1 1 83 83 ILE HA H 1 4.648 0.03 . 1 . . . . . . . . 5107 1 1001 . 1 1 83 83 ILE HB H 1 1.510 0.03 . 1 . . . . . . . . 5107 1 1002 . 1 1 83 83 ILE HG12 H 1 1.072 0.03 . 2 . . . . . . . . 5107 1 1003 . 1 1 83 83 ILE HG13 H 1 0.486 0.03 . 2 . . . . . . . . 5107 1 1004 . 1 1 83 83 ILE HG21 H 1 0.695 0.03 . 1 . . . . . . . . 5107 1 1005 . 1 1 83 83 ILE HG22 H 1 0.695 0.03 . 1 . . . . . . . . 5107 1 1006 . 1 1 83 83 ILE HG23 H 1 0.695 0.03 . 1 . . . . . . . . 5107 1 1007 . 1 1 83 83 ILE HD11 H 1 -0.130 0.03 . 1 . . . . . . . . 5107 1 1008 . 1 1 83 83 ILE HD12 H 1 -0.130 0.03 . 1 . . . . . . . . 5107 1 1009 . 1 1 83 83 ILE HD13 H 1 -0.130 0.03 . 1 . . . . . . . . 5107 1 1010 . 1 1 83 83 ILE C C 13 175.105 0.08 . 1 . . . . . . . . 5107 1 1011 . 1 1 83 83 ILE CA C 13 59.742 0.08 . 1 . . . . . . . . 5107 1 1012 . 1 1 83 83 ILE CB C 13 38.989 0.08 . 1 . . . . . . . . 5107 1 1013 . 1 1 83 83 ILE CG1 C 13 27.315 0.08 . 1 . . . . . . . . 5107 1 1014 . 1 1 83 83 ILE CG2 C 13 16.970 0.08 . 1 . . . . . . . . 5107 1 1015 . 1 1 83 83 ILE CD1 C 13 12.902 0.08 . 1 . . . . . . . . 5107 1 1016 . 1 1 83 83 ILE N N 15 126.320 0.08 . 1 . . . . . . . . 5107 1 1017 . 1 1 84 84 ASN H H 1 9.619 0.03 . 1 . . . . . . . . 5107 1 1018 . 1 1 84 84 ASN HA H 1 4.815 0.03 . 1 . . . . . . . . 5107 1 1019 . 1 1 84 84 ASN HB2 H 1 3.075 0.03 . 2 . . . . . . . . 5107 1 1020 . 1 1 84 84 ASN HB3 H 1 2.892 0.03 . 2 . . . . . . . . 5107 1 1021 . 1 1 84 84 ASN C C 13 173.933 0.08 . 1 . . . . . . . . 5107 1 1022 . 1 1 84 84 ASN CA C 13 51.702 0.08 . 1 . . . . . . . . 5107 1 1023 . 1 1 84 84 ASN CB C 13 40.804 0.08 . 1 . . . . . . . . 5107 1 1024 . 1 1 84 84 ASN N N 15 125.485 0.08 . 1 . . . . . . . . 5107 1 1025 . 1 1 85 85 GLY H H 1 8.490 0.03 . 1 . . . . . . . . 5107 1 1026 . 1 1 85 85 GLY HA2 H 1 3.732 0.03 . 2 . . . . . . . . 5107 1 1027 . 1 1 85 85 GLY HA3 H 1 3.953 0.03 . 2 . . . . . . . . 5107 1 1028 . 1 1 85 85 GLY C C 13 174.910 0.08 . 1 . . . . . . . . 5107 1 1029 . 1 1 85 85 GLY CA C 13 47.673 0.08 . 1 . . . . . . . . 5107 1 1030 . 1 1 85 85 GLY N N 15 103.755 0.08 . 1 . . . . . . . . 5107 1 1031 . 1 1 86 86 ASP H H 1 8.224 0.03 . 1 . . . . . . . . 5107 1 1032 . 1 1 86 86 ASP HA H 1 4.734 0.03 . 1 . . . . . . . . 5107 1 1033 . 1 1 86 86 ASP HB2 H 1 2.763 0.03 . 2 . . . . . . . . 5107 1 1034 . 1 1 86 86 ASP C C 13 175.301 0.08 . 1 . . . . . . . . 5107 1 1035 . 1 1 86 86 ASP CA C 13 56.455 0.08 . 1 . . . . . . . . 5107 1 1036 . 1 1 86 86 ASP CB C 13 41.101 0.08 . 1 . . . . . . . . 5107 1 1037 . 1 1 86 86 ASP N N 15 119.608 0.08 . 1 . . . . . . . . 5107 1 1038 . 1 1 87 87 ASN H H 1 8.016 0.03 . 1 . . . . . . . . 5107 1 1039 . 1 1 87 87 ASN HA H 1 4.809 0.03 . 1 . . . . . . . . 5107 1 1040 . 1 1 87 87 ASN HB2 H 1 3.523 0.03 . 2 . . . . . . . . 5107 1 1041 . 1 1 87 87 ASN HB3 H 1 2.812 0.03 . 2 . . . . . . . . 5107 1 1042 . 1 1 87 87 ASN C C 13 177.352 0.08 . 1 . . . . . . . . 5107 1 1043 . 1 1 87 87 ASN CA C 13 52.177 0.08 . 1 . . . . . . . . 5107 1 1044 . 1 1 87 87 ASN CB C 13 38.319 0.08 . 1 . . . . . . . . 5107 1 1045 . 1 1 87 87 ASN N N 15 115.309 0.08 . 1 . . . . . . . . 5107 1 1046 . 1 1 88 88 LEU H H 1 7.547 0.03 . 1 . . . . . . . . 5107 1 1047 . 1 1 88 88 LEU HA H 1 3.980 0.03 . 1 . . . . . . . . 5107 1 1048 . 1 1 88 88 LEU HB2 H 1 2.007 0.03 . 2 . . . . . . . . 5107 1 1049 . 1 1 88 88 LEU HB3 H 1 1.932 0.03 . 2 . . . . . . . . 5107 1 1050 . 1 1 88 88 LEU HG H 1 1.098 0.03 . 1 . . . . . . . . 5107 1 1051 . 1 1 88 88 LEU HD11 H 1 0.851 0.03 . 1 . . . . . . . . 5107 1 1052 . 1 1 88 88 LEU HD12 H 1 0.851 0.03 . 1 . . . . . . . . 5107 1 1053 . 1 1 88 88 LEU HD13 H 1 0.851 0.03 . 1 . . . . . . . . 5107 1 1054 . 1 1 88 88 LEU C C 13 177.938 0.08 . 1 . . . . . . . . 5107 1 1055 . 1 1 88 88 LEU CA C 13 58.828 0.08 . 1 . . . . . . . . 5107 1 1056 . 1 1 88 88 LEU CB C 13 42.751 0.08 . 1 . . . . . . . . 5107 1 1057 . 1 1 88 88 LEU CG C 13 26.133 0.08 . 1 . . . . . . . . 5107 1 1058 . 1 1 88 88 LEU CD1 C 13 23.821 0.08 . 2 . . . . . . . . 5107 1 1059 . 1 1 88 88 LEU N N 15 122.167 0.08 . 1 . . . . . . . . 5107 1 1060 . 1 1 89 89 HIS H H 1 8.907 0.03 . 1 . . . . . . . . 5107 1 1061 . 1 1 89 89 HIS HA H 1 4.596 0.03 . 1 . . . . . . . . 5107 1 1062 . 1 1 89 89 HIS HB2 H 1 3.252 0.03 . 2 . . . . . . . . 5107 1 1063 . 1 1 89 89 HIS HB3 H 1 3.193 0.03 . 2 . . . . . . . . 5107 1 1064 . 1 1 89 89 HIS C C 13 179.892 0.08 . 1 . . . . . . . . 5107 1 1065 . 1 1 89 89 HIS CA C 13 57.583 0.08 . 1 . . . . . . . . 5107 1 1066 . 1 1 89 89 HIS CB C 13 27.260 0.08 . 1 . . . . . . . . 5107 1 1067 . 1 1 89 89 HIS N N 15 114.250 0.08 . 1 . . . . . . . . 5107 1 1068 . 1 1 90 90 ASP H H 1 7.683 0.03 . 1 . . . . . . . . 5107 1 1069 . 1 1 90 90 ASP HA H 1 4.178 0.03 . 1 . . . . . . . . 5107 1 1070 . 1 1 90 90 ASP HB2 H 1 2.638 0.03 . 2 . . . . . . . . 5107 1 1071 . 1 1 90 90 ASP HB3 H 1 2.228 0.03 . 2 . . . . . . . . 5107 1 1072 . 1 1 90 90 ASP C C 13 176.766 0.08 . 1 . . . . . . . . 5107 1 1073 . 1 1 90 90 ASP CA C 13 56.705 0.08 . 1 . . . . . . . . 5107 1 1074 . 1 1 90 90 ASP CB C 13 39.386 0.08 . 1 . . . . . . . . 5107 1 1075 . 1 1 90 90 ASP N N 15 122.205 0.08 . 1 . . . . . . . . 5107 1 1076 . 1 1 91 91 TYR H H 1 7.581 0.03 . 1 . . . . . . . . 5107 1 1077 . 1 1 91 91 TYR HA H 1 4.143 0.03 . 1 . . . . . . . . 5107 1 1078 . 1 1 91 91 TYR HB2 H 1 2.767 0.03 . 2 . . . . . . . . 5107 1 1079 . 1 1 91 91 TYR HB3 H 1 2.712 0.03 . 2 . . . . . . . . 5107 1 1080 . 1 1 91 91 TYR CA C 13 60.303 0.08 . 1 . . . . . . . . 5107 1 1081 . 1 1 91 91 TYR CB C 13 41.115 0.08 . 1 . . . . . . . . 5107 1 1082 . 1 1 91 91 TYR N N 15 115.838 0.08 . 1 . . . . . . . . 5107 1 1083 . 1 1 92 92 LEU H H 1 7.833 0.03 . 1 . . . . . . . . 5107 1 1084 . 1 1 92 92 LEU HA H 1 4.444 0.03 . 1 . . . . . . . . 5107 1 1085 . 1 1 92 92 LEU HB2 H 1 1.241 0.03 . 2 . . . . . . . . 5107 1 1086 . 1 1 92 92 LEU HB3 H 1 0.978 0.03 . 2 . . . . . . . . 5107 1 1087 . 1 1 92 92 LEU HG H 1 1.321 0.03 . 1 . . . . . . . . 5107 1 1088 . 1 1 92 92 LEU HD11 H 1 0.315 0.03 . 1 . . . . . . . . 5107 1 1089 . 1 1 92 92 LEU HD12 H 1 0.315 0.03 . 1 . . . . . . . . 5107 1 1090 . 1 1 92 92 LEU HD13 H 1 0.315 0.03 . 1 . . . . . . . . 5107 1 1091 . 1 1 92 92 LEU HD21 H 1 0.767 0.03 . 1 . . . . . . . . 5107 1 1092 . 1 1 92 92 LEU HD22 H 1 0.767 0.03 . 1 . . . . . . . . 5107 1 1093 . 1 1 92 92 LEU HD23 H 1 0.767 0.03 . 1 . . . . . . . . 5107 1 1094 . 1 1 92 92 LEU C C 13 176.180 0.08 . 1 . . . . . . . . 5107 1 1095 . 1 1 92 92 LEU CA C 13 54.141 0.08 . 1 . . . . . . . . 5107 1 1096 . 1 1 92 92 LEU CB C 13 43.264 0.08 . 1 . . . . . . . . 5107 1 1097 . 1 1 92 92 LEU CG C 13 26.512 0.08 . 1 . . . . . . . . 5107 1 1098 . 1 1 92 92 LEU CD1 C 13 25.625 0.08 . 2 . . . . . . . . 5107 1 1099 . 1 1 92 92 LEU CD2 C 13 21.656 0.08 . 2 . . . . . . . . 5107 1 1100 . 1 1 92 92 LEU N N 15 114.421 0.08 . 1 . . . . . . . . 5107 1 1101 . 1 1 93 93 GLY H H 1 7.783 0.03 . 1 . . . . . . . . 5107 1 1102 . 1 1 93 93 GLY HA2 H 1 4.399 0.03 . 2 . . . . . . . . 5107 1 1103 . 1 1 93 93 GLY HA3 H 1 3.906 0.03 . 2 . . . . . . . . 5107 1 1104 . 1 1 93 93 GLY C C 13 177.059 0.08 . 1 . . . . . . . . 5107 1 1105 . 1 1 93 93 GLY CA C 13 44.064 0.08 . 1 . . . . . . . . 5107 1 1106 . 1 1 93 93 GLY N N 15 108.520 0.08 . 1 . . . . . . . . 5107 1 1107 . 1 1 94 94 VAL H H 1 8.375 0.03 . 1 . . . . . . . . 5107 1 1108 . 1 1 94 94 VAL HA H 1 3.913 0.03 . 1 . . . . . . . . 5107 1 1109 . 1 1 94 94 VAL HB H 1 2.023 0.03 . 1 . . . . . . . . 5107 1 1110 . 1 1 94 94 VAL HG11 H 1 0.980 0.03 . 2 . . . . . . . . 5107 1 1111 . 1 1 94 94 VAL HG12 H 1 0.980 0.03 . 2 . . . . . . . . 5107 1 1112 . 1 1 94 94 VAL HG13 H 1 0.980 0.03 . 2 . . . . . . . . 5107 1 1113 . 1 1 94 94 VAL HG21 H 1 0.682 0.03 . 2 . . . . . . . . 5107 1 1114 . 1 1 94 94 VAL HG22 H 1 0.682 0.03 . 2 . . . . . . . . 5107 1 1115 . 1 1 94 94 VAL HG23 H 1 0.682 0.03 . 2 . . . . . . . . 5107 1 1116 . 1 1 94 94 VAL C C 13 173.542 0.08 . 1 . . . . . . . . 5107 1 1117 . 1 1 94 94 VAL CA C 13 62.898 0.08 . 1 . . . . . . . . 5107 1 1118 . 1 1 94 94 VAL CB C 13 32.072 0.08 . 1 . . . . . . . . 5107 1 1119 . 1 1 94 94 VAL CG1 C 13 20.583 0.08 . 2 . . . . . . . . 5107 1 1120 . 1 1 94 94 VAL CG2 C 13 21.919 0.08 . 2 . . . . . . . . 5107 1 1121 . 1 1 94 94 VAL N N 15 120.139 0.08 . 1 . . . . . . . . 5107 1 1122 . 1 1 95 95 GLN H H 1 8.442 0.03 . 1 . . . . . . . . 5107 1 1123 . 1 1 95 95 GLN HA H 1 3.144 0.03 . 1 . . . . . . . . 5107 1 1124 . 1 1 95 95 GLN HB2 H 1 1.885 0.03 . 2 . . . . . . . . 5107 1 1125 . 1 1 95 95 GLN HB3 H 1 1.776 0.03 . 2 . . . . . . . . 5107 1 1126 . 1 1 95 95 GLN HG2 H 1 2.313 0.03 . 2 . . . . . . . . 5107 1 1127 . 1 1 95 95 GLN HG3 H 1 2.069 0.03 . 2 . . . . . . . . 5107 1 1128 . 1 1 95 95 GLN C C 13 175.887 0.08 . 1 . . . . . . . . 5107 1 1129 . 1 1 95 95 GLN CA C 13 57.258 0.08 . 1 . . . . . . . . 5107 1 1130 . 1 1 95 95 GLN CB C 13 28.417 0.08 . 1 . . . . . . . . 5107 1 1131 . 1 1 95 95 GLN CG C 13 33.383 0.08 . 1 . . . . . . . . 5107 1 1132 . 1 1 95 95 GLN N N 15 122.885 0.08 . 1 . . . . . . . . 5107 1 1133 . 1 1 96 96 ARG H H 1 6.784 0.03 . 1 . . . . . . . . 5107 1 1134 . 1 1 96 96 ARG HA H 1 4.019 0.03 . 1 . . . . . . . . 5107 1 1135 . 1 1 96 96 ARG HB2 H 1 1.344 0.03 . 2 . . . . . . . . 5107 1 1136 . 1 1 96 96 ARG HB3 H 1 1.187 0.03 . 2 . . . . . . . . 5107 1 1137 . 1 1 96 96 ARG HG2 H 1 1.476 0.03 . 2 . . . . . . . . 5107 1 1138 . 1 1 96 96 ARG HG3 H 1 1.192 0.03 . 2 . . . . . . . . 5107 1 1139 . 1 1 96 96 ARG HD2 H 1 3.125 0.03 . 2 . . . . . . . . 5107 1 1140 . 1 1 96 96 ARG HD3 H 1 3.087 0.03 . 2 . . . . . . . . 5107 1 1141 . 1 1 96 96 ARG C C 13 175.301 0.08 . 1 . . . . . . . . 5107 1 1142 . 1 1 96 96 ARG CA C 13 56.763 0.08 . 1 . . . . . . . . 5107 1 1143 . 1 1 96 96 ARG CB C 13 32.662 0.08 . 1 . . . . . . . . 5107 1 1144 . 1 1 96 96 ARG CG C 13 27.567 0.08 . 1 . . . . . . . . 5107 1 1145 . 1 1 96 96 ARG CD C 13 43.309 0.08 . 1 . . . . . . . . 5107 1 1146 . 1 1 96 96 ARG N N 15 121.119 0.08 . 1 . . . . . . . . 5107 1 1147 . 1 1 97 97 PHE H H 1 7.982 0.03 . 1 . . . . . . . . 5107 1 1148 . 1 1 97 97 PHE HA H 1 4.772 0.03 . 1 . . . . . . . . 5107 1 1149 . 1 1 97 97 PHE HB2 H 1 3.255 0.03 . 2 . . . . . . . . 5107 1 1150 . 1 1 97 97 PHE HB3 H 1 2.520 0.03 . 2 . . . . . . . . 5107 1 1151 . 1 1 97 97 PHE C C 13 175.203 0.08 . 1 . . . . . . . . 5107 1 1152 . 1 1 97 97 PHE CA C 13 56.431 0.08 . 1 . . . . . . . . 5107 1 1153 . 1 1 97 97 PHE CB C 13 42.259 0.08 . 1 . . . . . . . . 5107 1 1154 . 1 1 97 97 PHE N N 15 117.152 0.08 . 1 . . . . . . . . 5107 1 1155 . 1 1 98 98 ASP H H 1 8.541 0.03 . 1 . . . . . . . . 5107 1 1156 . 1 1 98 98 ASP HA H 1 4.852 0.03 . 1 . . . . . . . . 5107 1 1157 . 1 1 98 98 ASP HB2 H 1 2.730 0.03 . 2 . . . . . . . . 5107 1 1158 . 1 1 98 98 ASP HB3 H 1 2.602 0.03 . 2 . . . . . . . . 5107 1 1159 . 1 1 98 98 ASP C C 13 174.422 0.08 . 1 . . . . . . . . 5107 1 1160 . 1 1 98 98 ASP CA C 13 53.365 0.08 . 1 . . . . . . . . 5107 1 1161 . 1 1 98 98 ASP CB C 13 41.711 0.08 . 1 . . . . . . . . 5107 1 1162 . 1 1 98 98 ASP N N 15 119.801 0.08 . 1 . . . . . . . . 5107 1 1163 . 1 1 99 99 TYR H H 1 8.240 0.03 . 1 . . . . . . . . 5107 1 1164 . 1 1 99 99 TYR HA H 1 4.511 0.03 . 1 . . . . . . . . 5107 1 1165 . 1 1 99 99 TYR HB2 H 1 2.839 0.03 . 2 . . . . . . . . 5107 1 1166 . 1 1 99 99 TYR HB3 H 1 2.810 0.03 . 2 . . . . . . . . 5107 1 1167 . 1 1 99 99 TYR C C 13 175.594 0.08 . 1 . . . . . . . . 5107 1 1168 . 1 1 99 99 TYR CA C 13 58.550 0.08 . 1 . . . . . . . . 5107 1 1169 . 1 1 99 99 TYR CB C 13 40.169 0.08 . 1 . . . . . . . . 5107 1 1170 . 1 1 99 99 TYR N N 15 122.003 0.08 . 1 . . . . . . . . 5107 1 1171 . 1 1 100 100 GLY H H 1 8.240 0.03 . 1 . . . . . . . . 5107 1 1172 . 1 1 100 100 GLY HA2 H 1 3.832 0.03 . 2 . . . . . . . . 5107 1 1173 . 1 1 100 100 GLY HA3 H 1 3.652 0.03 . 2 . . . . . . . . 5107 1 1174 . 1 1 100 100 GLY C C 13 175.887 0.08 . 1 . . . . . . . . 5107 1 1175 . 1 1 100 100 GLY CA C 13 45.261 0.08 . 1 . . . . . . . . 5107 1 1176 . 1 1 100 100 GLY N N 15 113.532 0.08 . 1 . . . . . . . . 5107 1 1177 . 1 1 101 101 ARG H H 1 7.645 0.03 . 1 . . . . . . . . 5107 1 1178 . 1 1 101 101 ARG CA C 13 57.182 0.08 . 1 . . . . . . . . 5107 1 1179 . 1 1 101 101 ARG CB C 13 31.477 0.08 . 1 . . . . . . . . 5107 1 1180 . 1 1 101 101 ARG N N 15 125.216 0.08 . 1 . . . . . . . . 5107 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 118 5107 1 1 117 5107 1 2 186 5107 1 2 185 5107 1 3 268 5107 1 3 267 5107 1 4 382 5107 1 4 381 5107 1 5 793 5107 1 5 792 5107 1 6 832 5107 1 6 831 5107 1 7 917 5107 1 7 916 5107 1 8 959 5107 1 8 958 5107 1 stop_ save_