data_25093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25093 _Entry.Title ; full-length EcMazE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-15 _Entry.Accession_date 2014-07-15 _Entry.Last_release_date 2015-02-02 _Entry.Original_release_date 2015-02-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Klaus Zangger . . . 25093 2 Nico 'van Nuland' . . . 25093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 511 25093 '13C chemical shifts' 323 25093 '15N chemical shifts' 79 25093 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 . . 2015-02-02 2014-07-15 original author . 25093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1mvf 'X-ray structure full-length EcMazE' 25093 PDB 1mrn 'truncated EcMazE' 25093 BMRB 25086 'truncated EcMazE' 25093 BMRB 25094 'EcMazE homodimer (full-length EcMazE-DNA complex)' 25093 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25564525 _Citation.Full_citation . _Citation.Title 'Escherichia coli antitoxin MazE as transcription factor: insights into MazE-DNA binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 2 _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 1241 _Citation.Page_last 1256 _Citation.Year 2015 _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 Valentina Zorzini . . . 25093 1 2 Lieven Buts . . . 25093 1 3 Evelyne Schrank . . . 25093 1 4 Yann Sterckx . G.J. . 25093 1 5 Michal Respondek . . . 25093 1 6 Hanna Engelberg-Kulka . . . 25093 1 7 Remy Loris . . . 25093 1 8 Klaus Zangger . . . 25093 1 9 Nico 'van Nuland' . A.J. . 25093 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MazEF 25093 1 'intrinsic disorder' 25093 1 homodimer 25093 1 Toxin-Antitoxin 25093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25093 _Assembly.ID 1 _Assembly.Name 'EcMazE homodimer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'EcMazE, 1' 1 $full_EcMazE_free A . yes native no no . . . 25093 1 2 'EcMazE, 2' 1 $full_EcMazE_free B . yes native no no . . . 25093 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1mvf . . X-ray . . . 25093 1 yes PDB 1mrn . . 'solution NMR' . . . 25093 1 yes BMRB 25086 . . 'solution NMR' . . . 25093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_full_EcMazE_free _Entity.Sf_category entity _Entity.Sf_framecode full_EcMazE_free _Entity.Entry_ID 25093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name full_EcMazE_free _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 ; MIHSSVKRWGNSPAVRIPAT LMQALNLNIDDEVKIDLVDG KLIIEPVRKEPVFTLAELVN DITPENLHENIDWGEPKDKE VW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25086 . truncEcMazE . . . . . 59.76 67 100.00 100.00 1.09e-24 . . . . 25093 1 2 no BMRB 25092 . entity_1 . . . . . 59.76 67 100.00 100.00 1.09e-24 . . . . 25093 1 3 no BMRB 25094 . full_EcMazE-DNA . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 4 no PDB 1MVF . "Maze Addiction Antidote" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 5 no PDB 1UB4 . "Crystal Structure Of Mazef Complex" . . . . . 100.00 85 100.00 100.00 9.74e-50 . . . . 25093 1 6 no PDB 2MRN . "Structure Of Truncated Ecmaze" . . . . . 59.76 67 100.00 100.00 1.09e-24 . . . . 25093 1 7 no PDB 2MRU . "Structure Of Truncated Ecmaze-dna Complex" . . . . . 59.76 67 100.00 100.00 1.09e-24 . . . . 25093 1 8 no DBJ BAA41177 . "ChpAI [Escherichia coli]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 9 no DBJ BAB37066 . "suppressor of ChpA inhibitory function [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 10 no DBJ BAE76857 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 11 no DBJ BAG78565 . "suppressor of inhibitor protein [Escherichia coli SE11]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 12 no DBJ BAI27044 . "antitoxin ChpR of the ChpA-ChpR toxin-antitoxin system [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 13 no EMBL CAP77216 . "PemI-like protein 1 [Escherichia coli LF82]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 14 no EMBL CAQ33107 . "MazE antitoxin of the MazF-MazE toxin-antitoxin system, subunit of MazE-MazF complex [Escherichia coli BL21(DE3)]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 15 no EMBL CAQ87849 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 16 no EMBL CAQ99711 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli IAI1]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 17 no EMBL CAR04293 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli S88]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 18 no GB AAA03238 . "homologous to plasmid R100 pemI gene [Escherichia coli]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 19 no GB AAA69293 . "pemI-like protein 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 20 no GB AAC75825 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 21 no GB AAG57896 . "suppressor of inhibitory function of ChpA, PemI-like, autoregulated [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 22 no GB AAZ89539 . "suppressor of inhibitory function of ChpA, PemI-like, autoregulated [Shigella sonnei Ss046]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 23 no REF NP_311670 . "antitoxin MazE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 24 no REF NP_417263 . "antitoxin of the ChpA-ChpR toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 25 no REF WP_000581935 . "antitoxin MazE [Escherichia coli]" . . . . . 100.00 82 98.78 98.78 8.07e-49 . . . . 25093 1 26 no REF WP_000581936 . "antitoxin MazE [Escherichia coli]" . . . . . 100.00 82 98.78 100.00 2.07e-49 . . . . 25093 1 27 no REF WP_000581937 . "MULTISPECIES: antitoxin MazE [Proteobacteria]" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 28 no SP P0AE72 . "RecName: Full=Antitoxin MazE" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 1 29 no SP P0AE73 . "RecName: Full=Antitoxin MazE" . . . . . 100.00 82 100.00 100.00 5.98e-50 . . . . 25093 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 1 MET . 25093 1 2 2 ILE . 25093 1 3 3 HIS . 25093 1 4 4 SER . 25093 1 5 5 SER . 25093 1 6 6 VAL . 25093 1 7 7 LYS . 25093 1 8 8 ARG . 25093 1 9 9 TRP . 25093 1 10 10 GLY . 25093 1 11 11 ASN . 25093 1 12 12 SER . 25093 1 13 13 PRO . 25093 1 14 14 ALA . 25093 1 15 15 VAL . 25093 1 16 16 ARG . 25093 1 17 17 ILE . 25093 1 18 18 PRO . 25093 1 19 19 ALA . 25093 1 20 20 THR . 25093 1 21 21 LEU . 25093 1 22 22 MET . 25093 1 23 23 GLN . 25093 1 24 24 ALA . 25093 1 25 25 LEU . 25093 1 26 26 ASN . 25093 1 27 27 LEU . 25093 1 28 28 ASN . 25093 1 29 29 ILE . 25093 1 30 30 ASP . 25093 1 31 31 ASP . 25093 1 32 32 GLU . 25093 1 33 33 VAL . 25093 1 34 34 LYS . 25093 1 35 35 ILE . 25093 1 36 36 ASP . 25093 1 37 37 LEU . 25093 1 38 38 VAL . 25093 1 39 39 ASP . 25093 1 40 40 GLY . 25093 1 41 41 LYS . 25093 1 42 42 LEU . 25093 1 43 43 ILE . 25093 1 44 44 ILE . 25093 1 45 45 GLU . 25093 1 46 46 PRO . 25093 1 47 47 VAL . 25093 1 48 48 ARG . 25093 1 49 49 LYS . 25093 1 50 50 GLU . 25093 1 51 51 PRO . 25093 1 52 52 VAL . 25093 1 53 53 PHE . 25093 1 54 54 THR . 25093 1 55 55 LEU . 25093 1 56 56 ALA . 25093 1 57 57 GLU . 25093 1 58 58 LEU . 25093 1 59 59 VAL . 25093 1 60 60 ASN . 25093 1 61 61 ASP . 25093 1 62 62 ILE . 25093 1 63 63 THR . 25093 1 64 64 PRO . 25093 1 65 65 GLU . 25093 1 66 66 ASN . 25093 1 67 67 LEU . 25093 1 68 68 HIS . 25093 1 69 69 GLU . 25093 1 70 70 ASN . 25093 1 71 71 ILE . 25093 1 72 72 ASP . 25093 1 73 73 TRP . 25093 1 74 74 GLY . 25093 1 75 75 GLU . 25093 1 76 76 PRO . 25093 1 77 77 LYS . 25093 1 78 78 ASP . 25093 1 79 79 LYS . 25093 1 80 80 GLU . 25093 1 81 81 VAL . 25093 1 82 82 TRP . 25093 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 25093 1 . ILE 2 2 25093 1 . HIS 3 3 25093 1 . SER 4 4 25093 1 . SER 5 5 25093 1 . VAL 6 6 25093 1 . LYS 7 7 25093 1 . ARG 8 8 25093 1 . TRP 9 9 25093 1 . GLY 10 10 25093 1 . ASN 11 11 25093 1 . SER 12 12 25093 1 . PRO 13 13 25093 1 . ALA 14 14 25093 1 . VAL 15 15 25093 1 . ARG 16 16 25093 1 . ILE 17 17 25093 1 . PRO 18 18 25093 1 . ALA 19 19 25093 1 . THR 20 20 25093 1 . LEU 21 21 25093 1 . MET 22 22 25093 1 . GLN 23 23 25093 1 . ALA 24 24 25093 1 . LEU 25 25 25093 1 . ASN 26 26 25093 1 . LEU 27 27 25093 1 . ASN 28 28 25093 1 . ILE 29 29 25093 1 . ASP 30 30 25093 1 . ASP 31 31 25093 1 . GLU 32 32 25093 1 . VAL 33 33 25093 1 . LYS 34 34 25093 1 . ILE 35 35 25093 1 . ASP 36 36 25093 1 . LEU 37 37 25093 1 . VAL 38 38 25093 1 . ASP 39 39 25093 1 . GLY 40 40 25093 1 . LYS 41 41 25093 1 . LEU 42 42 25093 1 . ILE 43 43 25093 1 . ILE 44 44 25093 1 . GLU 45 45 25093 1 . PRO 46 46 25093 1 . VAL 47 47 25093 1 . ARG 48 48 25093 1 . LYS 49 49 25093 1 . GLU 50 50 25093 1 . PRO 51 51 25093 1 . VAL 52 52 25093 1 . PHE 53 53 25093 1 . THR 54 54 25093 1 . LEU 55 55 25093 1 . ALA 56 56 25093 1 . GLU 57 57 25093 1 . LEU 58 58 25093 1 . VAL 59 59 25093 1 . ASN 60 60 25093 1 . ASP 61 61 25093 1 . ILE 62 62 25093 1 . THR 63 63 25093 1 . PRO 64 64 25093 1 . GLU 65 65 25093 1 . ASN 66 66 25093 1 . LEU 67 67 25093 1 . HIS 68 68 25093 1 . GLU 69 69 25093 1 . ASN 70 70 25093 1 . ILE 71 71 25093 1 . ASP 72 72 25093 1 . TRP 73 73 25093 1 . GLY 74 74 25093 1 . GLU 75 75 25093 1 . PRO 76 76 25093 1 . LYS 77 77 25093 1 . ASP 78 78 25093 1 . LYS 79 79 25093 1 . GLU 80 80 25093 1 . VAL 81 81 25093 1 . TRP 82 82 25093 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 25093 _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 $full_EcMazE_free . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25093 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 25093 _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 $full_EcMazE_free . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30-mazE . . . . . . 25093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25093 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'full EcMazE free' '[U-99% 13C; U-99% 15N]' . . 1 $full_EcMazE_free . . 1 . . mM . . . . 25093 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 25093 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25093 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25093 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'full EcMazE free' '[U-99% 13C; U-99% 15N]' . . 1 $full_EcMazE_free . . 1 . . mM . . . . 25093 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25093 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25093 _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 temperature 298 . K 25093 1 pH 6.5 . pH 25093 1 pressure 1 . atm 25093 1 'ionic strength' 50 . mM 25093 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25093 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25093 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25093 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25093 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25093 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25093 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25093 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25093 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25093 _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 spectrometer_1 Varian INOVA . 600 . . . 25093 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 25093 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25093 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25093 _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 0.00 internal direct 1.000000000 . . . . . . . . . 25093 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25093 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25093 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25093 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 25093 1 2 '2D 1H-13C HSQC' . . . 25093 1 3 '3D CBCA(CO)NH' . . . 25093 1 4 '3D HNCO' . . . 25093 1 5 '3D HNCACB' . . . 25093 1 6 '3D C(CO)NH' . . . 25093 1 7 '3D HCCH-TOCSY' . . . 25093 1 8 '2D 1H-1H TOCSY' . . . 25093 1 9 '2D 1H-1H NOESY' . . . 25093 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 2 2 ILE HA H 1 4.279 0.000 . 1 . . . . 2 Ile HA . 25093 1 2 . 1 1 2 2 ILE HB H 1 2.012 0.000 . 1 . . . . 2 Ile HB . 25093 1 3 . 1 1 2 2 ILE HG21 H 1 0.825 0.000 . 1 . . . . 2 Ile HG21 . 25093 1 4 . 1 1 2 2 ILE HG22 H 1 0.825 0.000 . 1 . . . . 2 Ile HG22 . 25093 1 5 . 1 1 2 2 ILE HG23 H 1 0.825 0.000 . 1 . . . . 2 Ile HG23 . 25093 1 6 . 1 1 2 2 ILE C C 13 175.653 0.000 . 1 . . . . 2 Ile C . 25093 1 7 . 1 1 2 2 ILE CA C 13 61.571 0.000 . 1 . . . . 2 Ile CA . 25093 1 8 . 1 1 2 2 ILE CB C 13 39.984 0.000 . 1 . . . . 2 Ile CB . 25093 1 9 . 1 1 2 2 ILE CG1 C 13 28.626 0.000 . 1 . . . . 2 Ile CG1 . 25093 1 10 . 1 1 2 2 ILE CG2 C 13 18.729 0.000 . 1 . . . . 2 Ile CG2 . 25093 1 11 . 1 1 3 3 HIS H H 1 8.758 0.001 . 1 . . . . 3 His H . 25093 1 12 . 1 1 3 3 HIS HB2 H 1 3.210 0.000 . 1 . . . . 3 His HB2 . 25093 1 13 . 1 1 3 3 HIS HB3 H 1 3.210 0.000 . 1 . . . . 3 His HB3 . 25093 1 14 . 1 1 3 3 HIS C C 13 174.843 0.000 . 1 . . . . 3 His C . 25093 1 15 . 1 1 3 3 HIS CA C 13 55.725 0.000 . 1 . . . . 3 His CA . 25093 1 16 . 1 1 3 3 HIS CB C 13 31.383 0.000 . 1 . . . . 3 His CB . 25093 1 17 . 1 1 3 3 HIS N N 15 124.123 0.010 . 1 . . . . 3 His N . 25093 1 18 . 1 1 4 4 SER H H 1 8.894 0.000 . 1 . . . . 4 Ser H . 25093 1 19 . 1 1 4 4 SER HA H 1 4.726 0.000 . 1 . . . . 4 Ser HA . 25093 1 20 . 1 1 4 4 SER HB2 H 1 3.634 0.000 . 1 . . . . 4 Ser HB2 . 25093 1 21 . 1 1 4 4 SER HB3 H 1 3.634 0.000 . 1 . . . . 4 Ser HB3 . 25093 1 22 . 1 1 4 4 SER C C 13 174.104 0.000 . 1 . . . . 4 Ser C . 25093 1 23 . 1 1 4 4 SER CA C 13 56.571 0.000 . 1 . . . . 4 Ser CA . 25093 1 24 . 1 1 4 4 SER CB C 13 65.475 0.000 . 1 . . . . 4 Ser CB . 25093 1 25 . 1 1 4 4 SER N N 15 116.695 0.000 . 1 . . . . 4 Ser N . 25093 1 26 . 1 1 5 5 SER H H 1 8.606 0.000 . 1 . . . . 5 Ser H . 25093 1 27 . 1 1 5 5 SER HA H 1 5.410 0.000 . 1 . . . . 5 Ser HA . 25093 1 28 . 1 1 5 5 SER HB2 H 1 3.520 0.000 . 2 . . . . 5 Ser HB2 . 25093 1 29 . 1 1 5 5 SER HB3 H 1 3.781 0.000 . 2 . . . . 5 Ser HB3 . 25093 1 30 . 1 1 5 5 SER C C 13 173.044 0.000 . 1 . . . . 5 Ser C . 25093 1 31 . 1 1 5 5 SER CA C 13 57.905 0.000 . 1 . . . . 5 Ser CA . 25093 1 32 . 1 1 5 5 SER CB C 13 66.512 0.000 . 1 . . . . 5 Ser CB . 25093 1 33 . 1 1 5 5 SER N N 15 114.528 0.000 . 1 . . . . 5 Ser N . 25093 1 34 . 1 1 6 6 VAL H H 1 8.407 0.000 . 1 . . . . 6 Val H . 25093 1 35 . 1 1 6 6 VAL HA H 1 4.358 0.000 . 1 . . . . 6 Val HA . 25093 1 36 . 1 1 6 6 VAL HB H 1 2.134 0.000 . 1 . . . . 6 Val HB . 25093 1 37 . 1 1 6 6 VAL HG11 H 1 0.900 0.000 . 1 . . . . 6 Val HG11 . 25093 1 38 . 1 1 6 6 VAL HG12 H 1 0.900 0.000 . 1 . . . . 6 Val HG12 . 25093 1 39 . 1 1 6 6 VAL HG13 H 1 0.900 0.000 . 1 . . . . 6 Val HG13 . 25093 1 40 . 1 1 6 6 VAL HG21 H 1 0.900 0.000 . 1 . . . . 6 Val HG21 . 25093 1 41 . 1 1 6 6 VAL HG22 H 1 0.900 0.000 . 1 . . . . 6 Val HG22 . 25093 1 42 . 1 1 6 6 VAL HG23 H 1 0.900 0.000 . 1 . . . . 6 Val HG23 . 25093 1 43 . 1 1 6 6 VAL C C 13 175.805 0.000 . 1 . . . . 6 Val C . 25093 1 44 . 1 1 6 6 VAL CA C 13 63.227 0.000 . 1 . . . . 6 Val CA . 25093 1 45 . 1 1 6 6 VAL CB C 13 31.731 0.000 . 1 . . . . 6 Val CB . 25093 1 46 . 1 1 6 6 VAL N N 15 120.693 0.003 . 1 . . . . 6 Val N . 25093 1 47 . 1 1 7 7 LYS H H 1 9.041 0.000 . 1 . . . . 7 Lys H . 25093 1 48 . 1 1 7 7 LYS HA H 1 4.977 0.000 . 1 . . . . 7 Lys HA . 25093 1 49 . 1 1 7 7 LYS HB2 H 1 1.720 0.000 . 1 . . . . 7 Lys HB2 . 25093 1 50 . 1 1 7 7 LYS HB3 H 1 1.720 0.000 . 1 . . . . 7 Lys HB3 . 25093 1 51 . 1 1 7 7 LYS C C 13 173.970 0.000 . 1 . . . . 7 Lys C . 25093 1 52 . 1 1 7 7 LYS CA C 13 54.295 0.000 . 1 . . . . 7 Lys CA . 25093 1 53 . 1 1 7 7 LYS CB C 13 27.492 0.000 . 1 . . . . 7 Lys CB . 25093 1 54 . 1 1 7 7 LYS N N 15 128.203 0.002 . 1 . . . . 7 Lys N . 25093 1 55 . 1 1 8 8 ARG H H 1 8.845 0.000 . 1 . . . . 8 Arg H . 25093 1 56 . 1 1 8 8 ARG HA H 1 4.429 0.000 . 1 . . . . 8 Arg HA . 25093 1 57 . 1 1 8 8 ARG HD2 H 1 3.235 0.000 . 1 . . . . 8 Arg HD2 . 25093 1 58 . 1 1 8 8 ARG HD3 H 1 3.235 0.000 . 1 . . . . 8 Arg HD3 . 25093 1 59 . 1 1 8 8 ARG HE H 1 7.369 0.000 . 1 . . . . 8 Arg HE . 25093 1 60 . 1 1 8 8 ARG C C 13 174.091 0.000 . 1 . . . . 8 Arg C . 25093 1 61 . 1 1 8 8 ARG CA C 13 56.759 0.000 . 1 . . . . 8 Arg CA . 25093 1 62 . 1 1 8 8 ARG CB C 13 31.935 0.000 . 1 . . . . 8 Arg CB . 25093 1 63 . 1 1 8 8 ARG N N 15 120.661 0.000 . 1 . . . . 8 Arg N . 25093 1 64 . 1 1 8 8 ARG NE N 15 83.883 0.000 . 1 . . . . 8 Arg NE . 25093 1 65 . 1 1 9 9 TRP H H 1 9.009 0.000 . 1 . . . . 9 Trp H . 25093 1 66 . 1 1 9 9 TRP HE1 H 1 9.728 0.000 . 1 . . . . 9 Trp HE1 . 25093 1 67 . 1 1 9 9 TRP CA C 13 53.869 0.000 . 1 . . . . 9 Trp CA . 25093 1 68 . 1 1 9 9 TRP N N 15 131.172 0.000 . 1 . . . . 9 Trp N . 25093 1 69 . 1 1 9 9 TRP NE1 N 15 127.900 0.000 . 1 . . . . 9 Trp NE1 . 25093 1 70 . 1 1 10 10 GLY HA2 H 1 3.128 0.000 . 1 . . . . 10 Gly HA2 . 25093 1 71 . 1 1 10 10 GLY HA3 H 1 3.128 0.000 . 1 . . . . 10 Gly HA3 . 25093 1 72 . 1 1 10 10 GLY CA C 13 48.019 0.000 . 1 . . . . 10 Gly CA . 25093 1 73 . 1 1 11 11 ASN HA H 1 4.763 0.000 . 1 . . . . 11 Asn HA . 25093 1 74 . 1 1 11 11 ASN HB2 H 1 2.806 0.000 . 2 . . . . 11 Asn HB2 . 25093 1 75 . 1 1 11 11 ASN HB3 H 1 2.796 0.000 . 2 . . . . 11 Asn HB3 . 25093 1 76 . 1 1 11 11 ASN C C 13 175.162 0.000 . 1 . . . . 11 Asn C . 25093 1 77 . 1 1 11 11 ASN CA C 13 53.266 0.000 . 1 . . . . 11 Asn CA . 25093 1 78 . 1 1 11 11 ASN CB C 13 39.970 0.000 . 1 . . . . 11 Asn CB . 25093 1 79 . 1 1 12 12 SER H H 1 7.808 0.000 . 1 . . . . 12 Ser H . 25093 1 80 . 1 1 12 12 SER HA H 1 5.044 0.000 . 1 . . . . 12 Ser HA . 25093 1 81 . 1 1 12 12 SER HB2 H 1 3.626 0.000 . 1 . . . . 12 Ser HB2 . 25093 1 82 . 1 1 12 12 SER HB3 H 1 3.626 0.000 . 1 . . . . 12 Ser HB3 . 25093 1 83 . 1 1 12 12 SER C C 13 170.874 0.000 . 1 . . . . 12 Ser C . 25093 1 84 . 1 1 12 12 SER CA C 13 56.978 0.000 . 1 . . . . 12 Ser CA . 25093 1 85 . 1 1 12 12 SER CB C 13 66.014 0.000 . 1 . . . . 12 Ser CB . 25093 1 86 . 1 1 12 12 SER N N 15 115.759 0.000 . 1 . . . . 12 Ser N . 25093 1 87 . 1 1 13 13 PRO C C 13 177.271 0.000 . 1 . . . . 13 Pro C . 25093 1 88 . 1 1 13 13 PRO CA C 13 62.918 0.000 . 1 . . . . 13 Pro CA . 25093 1 89 . 1 1 13 13 PRO CB C 13 32.920 0.000 . 1 . . . . 13 Pro CB . 25093 1 90 . 1 1 13 13 PRO CG C 13 28.524 0.000 . 1 . . . . 13 Pro CG . 25093 1 91 . 1 1 14 14 ALA H H 1 9.449 0.000 . 1 . . . . 14 Ala H . 25093 1 92 . 1 1 14 14 ALA HA H 1 5.287 0.000 . 1 . . . . 14 Ala HA . 25093 1 93 . 1 1 14 14 ALA HB1 H 1 1.357 0.000 . 1 . . . . 14 Ala HB1 . 25093 1 94 . 1 1 14 14 ALA HB2 H 1 1.357 0.000 . 1 . . . . 14 Ala HB2 . 25093 1 95 . 1 1 14 14 ALA HB3 H 1 1.357 0.000 . 1 . . . . 14 Ala HB3 . 25093 1 96 . 1 1 14 14 ALA C C 13 174.875 0.000 . 1 . . . . 14 Ala C . 25093 1 97 . 1 1 14 14 ALA CA C 13 52.612 0.000 . 1 . . . . 14 Ala CA . 25093 1 98 . 1 1 14 14 ALA CB C 13 24.965 0.000 . 1 . . . . 14 Ala CB . 25093 1 99 . 1 1 14 14 ALA N N 15 125.076 0.000 . 1 . . . . 14 Ala N . 25093 1 100 . 1 1 15 15 VAL H H 1 8.510 0.000 . 1 . . . . 15 Val H . 25093 1 101 . 1 1 15 15 VAL HA H 1 4.766 0.000 . 1 . . . . 15 Val HA . 25093 1 102 . 1 1 15 15 VAL HB H 1 1.891 0.000 . 1 . . . . 15 Val HB . 25093 1 103 . 1 1 15 15 VAL HG11 H 1 0.851 0.000 . 1 . . . . 15 Val HG11 . 25093 1 104 . 1 1 15 15 VAL HG12 H 1 0.851 0.000 . 1 . . . . 15 Val HG12 . 25093 1 105 . 1 1 15 15 VAL HG13 H 1 0.851 0.000 . 1 . . . . 15 Val HG13 . 25093 1 106 . 1 1 15 15 VAL C C 13 174.455 0.000 . 1 . . . . 15 Val C . 25093 1 107 . 1 1 15 15 VAL CA C 13 60.630 0.000 . 1 . . . . 15 Val CA . 25093 1 108 . 1 1 15 15 VAL CB C 13 32.280 0.000 . 1 . . . . 15 Val CB . 25093 1 109 . 1 1 15 15 VAL CG1 C 13 21.770 0.000 . 1 . . . . 15 Val CG1 . 25093 1 110 . 1 1 15 15 VAL CG2 C 13 21.918 0.000 . 1 . . . . 15 Val CG2 . 25093 1 111 . 1 1 15 15 VAL N N 15 116.794 0.000 . 1 . . . . 15 Val N . 25093 1 112 . 1 1 16 16 ARG H H 1 8.812 0.001 . 1 . . . . 16 Arg H . 25093 1 113 . 1 1 16 16 ARG HA H 1 4.626 0.000 . 1 . . . . 16 Arg HA . 25093 1 114 . 1 1 16 16 ARG HB2 H 1 1.716 0.000 . 1 . . . . 16 Arg HB2 . 25093 1 115 . 1 1 16 16 ARG HB3 H 1 1.716 0.000 . 1 . . . . 16 Arg HB3 . 25093 1 116 . 1 1 16 16 ARG C C 13 174.578 0.000 . 1 . . . . 16 Arg C . 25093 1 117 . 1 1 16 16 ARG CA C 13 57.112 0.000 . 1 . . . . 16 Arg CA . 25093 1 118 . 1 1 16 16 ARG N N 15 125.935 0.006 . 1 . . . . 16 Arg N . 25093 1 119 . 1 1 17 17 ILE H H 1 8.050 0.000 . 1 . . . . 17 Ile H . 25093 1 120 . 1 1 17 17 ILE HA H 1 4.474 0.000 . 1 . . . . 17 Ile HA . 25093 1 121 . 1 1 17 17 ILE HB H 1 1.681 0.000 . 1 . . . . 17 Ile HB . 25093 1 122 . 1 1 17 17 ILE HG12 H 1 1.108 0.000 . 1 . . . . 17 Ile HG12 . 25093 1 123 . 1 1 17 17 ILE HG13 H 1 1.108 0.000 . 1 . . . . 17 Ile HG13 . 25093 1 124 . 1 1 17 17 ILE HD11 H 1 0.505 0.000 . 1 . . . . 17 Ile HD11 . 25093 1 125 . 1 1 17 17 ILE HD12 H 1 0.505 0.000 . 1 . . . . 17 Ile HD12 . 25093 1 126 . 1 1 17 17 ILE HD13 H 1 0.505 0.000 . 1 . . . . 17 Ile HD13 . 25093 1 127 . 1 1 17 17 ILE C C 13 175.999 0.000 . 1 . . . . 17 Ile C . 25093 1 128 . 1 1 17 17 ILE CA C 13 57.325 0.000 . 1 . . . . 17 Ile CA . 25093 1 129 . 1 1 17 17 ILE CB C 13 41.872 0.000 . 1 . . . . 17 Ile CB . 25093 1 130 . 1 1 17 17 ILE CD1 C 13 11.733 0.000 . 1 . . . . 17 Ile CD1 . 25093 1 131 . 1 1 17 17 ILE N N 15 123.480 0.003 . 1 . . . . 17 Ile N . 25093 1 132 . 1 1 18 18 PRO C C 13 177.064 0.000 . 1 . . . . 18 Pro C . 25093 1 133 . 1 1 18 18 PRO CA C 13 63.567 0.000 . 1 . . . . 18 Pro CA . 25093 1 134 . 1 1 18 18 PRO CB C 13 32.948 0.000 . 1 . . . . 18 Pro CB . 25093 1 135 . 1 1 18 18 PRO N N 15 119.897 0.000 . 1 . . . . 18 Pro N . 25093 1 136 . 1 1 19 19 ALA H H 1 9.010 0.000 . 1 . . . . 19 Ala H . 25093 1 137 . 1 1 19 19 ALA HA H 1 3.924 0.000 . 1 . . . . 19 Ala HA . 25093 1 138 . 1 1 19 19 ALA HB1 H 1 1.490 0.000 . 1 . . . . 19 Ala HB1 . 25093 1 139 . 1 1 19 19 ALA HB2 H 1 1.490 0.000 . 1 . . . . 19 Ala HB2 . 25093 1 140 . 1 1 19 19 ALA HB3 H 1 1.490 0.000 . 1 . . . . 19 Ala HB3 . 25093 1 141 . 1 1 19 19 ALA C C 13 179.973 0.000 . 1 . . . . 19 Ala C . 25093 1 142 . 1 1 19 19 ALA CA C 13 56.528 0.000 . 1 . . . . 19 Ala CA . 25093 1 143 . 1 1 19 19 ALA CB C 13 18.879 0.000 . 1 . . . . 19 Ala CB . 25093 1 144 . 1 1 19 19 ALA N N 15 128.331 0.000 . 1 . . . . 19 Ala N . 25093 1 145 . 1 1 20 20 THR H H 1 8.278 0.000 . 1 . . . . 20 Thr H . 25093 1 146 . 1 1 20 20 THR HA H 1 4.026 0.000 . 1 . . . . 20 Thr HA . 25093 1 147 . 1 1 20 20 THR HB H 1 4.099 0.000 . 1 . . . . 20 Thr HB . 25093 1 148 . 1 1 20 20 THR HG21 H 1 1.311 0.000 . 1 . . . . 20 Thr HG21 . 25093 1 149 . 1 1 20 20 THR HG22 H 1 1.311 0.000 . 1 . . . . 20 Thr HG22 . 25093 1 150 . 1 1 20 20 THR HG23 H 1 1.311 0.000 . 1 . . . . 20 Thr HG23 . 25093 1 151 . 1 1 20 20 THR C C 13 177.338 0.000 . 1 . . . . 20 Thr C . 25093 1 152 . 1 1 20 20 THR CA C 13 65.377 0.000 . 1 . . . . 20 Thr CA . 25093 1 153 . 1 1 20 20 THR CB C 13 69.079 0.000 . 1 . . . . 20 Thr CB . 25093 1 154 . 1 1 20 20 THR CG2 C 13 23.189 0.000 . 1 . . . . 20 Thr CG2 . 25093 1 155 . 1 1 20 20 THR N N 15 108.452 0.000 . 1 . . . . 20 Thr N . 25093 1 156 . 1 1 21 21 LEU H H 1 7.080 0.000 . 1 . . . . 21 Leu H . 25093 1 157 . 1 1 21 21 LEU HA H 1 4.249 0.000 . 1 . . . . 21 Leu HA . 25093 1 158 . 1 1 21 21 LEU HB2 H 1 1.651 0.000 . 1 . . . . 21 Leu HB2 . 25093 1 159 . 1 1 21 21 LEU HB3 H 1 1.651 0.000 . 1 . . . . 21 Leu HB3 . 25093 1 160 . 1 1 21 21 LEU HG H 1 1.301 0.000 . 1 . . . . 21 Leu HG . 25093 1 161 . 1 1 21 21 LEU HD11 H 1 0.808 0.000 . 1 . . . . 21 Leu HD11 . 25093 1 162 . 1 1 21 21 LEU HD12 H 1 0.808 0.000 . 1 . . . . 21 Leu HD12 . 25093 1 163 . 1 1 21 21 LEU HD13 H 1 0.808 0.000 . 1 . . . . 21 Leu HD13 . 25093 1 164 . 1 1 21 21 LEU C C 13 177.927 0.000 . 1 . . . . 21 Leu C . 25093 1 165 . 1 1 21 21 LEU CA C 13 57.460 0.000 . 1 . . . . 21 Leu CA . 25093 1 166 . 1 1 21 21 LEU CB C 13 41.899 0.000 . 1 . . . . 21 Leu CB . 25093 1 167 . 1 1 21 21 LEU N N 15 121.351 0.000 . 1 . . . . 21 Leu N . 25093 1 168 . 1 1 22 22 MET H H 1 7.421 0.000 . 1 . . . . 22 Met H . 25093 1 169 . 1 1 22 22 MET HA H 1 4.007 0.000 . 1 . . . . 22 Met HA . 25093 1 170 . 1 1 22 22 MET HG2 H 1 2.409 0.000 . 2 . . . . 22 Met HG2 . 25093 1 171 . 1 1 22 22 MET HG3 H 1 2.418 0.000 . 2 . . . . 22 Met HG3 . 25093 1 172 . 1 1 22 22 MET C C 13 179.065 0.000 . 1 . . . . 22 Met C . 25093 1 173 . 1 1 22 22 MET CA C 13 58.468 0.000 . 1 . . . . 22 Met CA . 25093 1 174 . 1 1 22 22 MET CB C 13 32.658 0.000 . 1 . . . . 22 Met CB . 25093 1 175 . 1 1 22 22 MET CG C 13 33.103 0.000 . 1 . . . . 22 Met CG . 25093 1 176 . 1 1 22 22 MET CE C 13 20.732 0.000 . 1 . . . . 22 Met CE . 25093 1 177 . 1 1 22 22 MET N N 15 117.165 0.000 . 1 . . . . 22 Met N . 25093 1 178 . 1 1 23 23 GLN H H 1 8.015 0.001 . 1 . . . . 23 Gln H . 25093 1 179 . 1 1 23 23 GLN HA H 1 4.163 0.000 . 1 . . . . 23 Gln HA . 25093 1 180 . 1 1 23 23 GLN HB2 H 1 2.073 0.000 . 1 . . . . 23 Gln HB2 . 25093 1 181 . 1 1 23 23 GLN HB3 H 1 2.095 0.000 . 1 . . . . 23 Gln HB3 . 25093 1 182 . 1 1 23 23 GLN HG2 H 1 2.462 0.000 . 2 . . . . 23 Gln HG2 . 25093 1 183 . 1 1 23 23 GLN HG3 H 1 2.380 0.000 . 2 . . . . 23 Gln HG3 . 25093 1 184 . 1 1 23 23 GLN HE22 H 1 7.031 0.302 . 1 . . . . 23 Gln HE22 . 25093 1 185 . 1 1 23 23 GLN C C 13 178.942 0.000 . 1 . . . . 23 Gln C . 25093 1 186 . 1 1 23 23 GLN CA C 13 59.117 0.000 . 1 . . . . 23 Gln CA . 25093 1 187 . 1 1 23 23 GLN CB C 13 28.996 0.000 . 1 . . . . 23 Gln CB . 25093 1 188 . 1 1 23 23 GLN CG C 13 34.811 0.000 . 1 . . . . 23 Gln CG . 25093 1 189 . 1 1 23 23 GLN N N 15 116.881 0.000 . 1 . . . . 23 Gln N . 25093 1 190 . 1 1 23 23 GLN NE2 N 15 111.364 0.034 . 1 . . . . 23 Gln NE2 . 25093 1 191 . 1 1 24 24 ALA H H 1 7.643 0.000 . 1 . . . . 24 Ala H . 25093 1 192 . 1 1 24 24 ALA HA H 1 1.498 0.000 . 1 . . . . 24 Ala HA . 25093 1 193 . 1 1 24 24 ALA HB1 H 1 4.140 0.000 . 1 . . . . 24 Ala HB1 . 25093 1 194 . 1 1 24 24 ALA HB2 H 1 4.140 0.000 . 1 . . . . 24 Ala HB2 . 25093 1 195 . 1 1 24 24 ALA HB3 H 1 4.140 0.000 . 1 . . . . 24 Ala HB3 . 25093 1 196 . 1 1 24 24 ALA C C 13 175.889 0.000 . 1 . . . . 24 Ala C . 25093 1 197 . 1 1 24 24 ALA CA C 13 55.602 0.000 . 1 . . . . 24 Ala CA . 25093 1 198 . 1 1 24 24 ALA CB C 13 19.320 0.000 . 1 . . . . 24 Ala CB . 25093 1 199 . 1 1 24 24 ALA N N 15 122.216 0.000 . 1 . . . . 24 Ala N . 25093 1 200 . 1 1 25 25 LEU H H 1 7.407 0.000 . 1 . . . . 25 Leu H . 25093 1 201 . 1 1 25 25 LEU HA H 1 4.324 0.000 . 1 . . . . 25 Leu HA . 25093 1 202 . 1 1 25 25 LEU HB2 H 1 1.616 0.000 . 1 . . . . 25 Leu HB2 . 25093 1 203 . 1 1 25 25 LEU HB3 H 1 1.616 0.000 . 1 . . . . 25 Leu HB3 . 25093 1 204 . 1 1 25 25 LEU HD11 H 1 0.715 0.000 . 1 . . . . 25 Leu HD11 . 25093 1 205 . 1 1 25 25 LEU HD12 H 1 0.715 0.000 . 1 . . . . 25 Leu HD12 . 25093 1 206 . 1 1 25 25 LEU HD13 H 1 0.715 0.000 . 1 . . . . 25 Leu HD13 . 25093 1 207 . 1 1 25 25 LEU C C 13 174.294 0.000 . 1 . . . . 25 Leu C . 25093 1 208 . 1 1 25 25 LEU CA C 13 54.914 0.000 . 1 . . . . 25 Leu CA . 25093 1 209 . 1 1 25 25 LEU CB C 13 44.357 0.000 . 1 . . . . 25 Leu CB . 25093 1 210 . 1 1 25 25 LEU CG C 13 25.256 0.000 . 1 . . . . 25 Leu CG . 25093 1 211 . 1 1 25 25 LEU CD1 C 13 24.739 0.000 . 1 . . . . 25 Leu CD1 . 25093 1 212 . 1 1 25 25 LEU CD2 C 13 24.739 0.000 . 1 . . . . 25 Leu CD2 . 25093 1 213 . 1 1 25 25 LEU N N 15 115.689 0.000 . 1 . . . . 25 Leu N . 25093 1 214 . 1 1 26 26 ASN H H 1 8.013 0.000 . 1 . . . . 26 Asn H . 25093 1 215 . 1 1 26 26 ASN HA H 1 4.317 0.000 . 1 . . . . 26 Asn HA . 25093 1 216 . 1 1 26 26 ASN HB2 H 1 2.922 0.000 . 1 . . . . 26 Asn HB2 . 25093 1 217 . 1 1 26 26 ASN HB3 H 1 2.922 0.000 . 1 . . . . 26 Asn HB3 . 25093 1 218 . 1 1 26 26 ASN HD21 H 1 7.167 0.361 . 1 . . . . 26 Asn HD21 . 25093 1 219 . 1 1 26 26 ASN HD22 H 1 7.167 0.361 . 1 . . . . 26 Asn HD22 . 25093 1 220 . 1 1 26 26 ASN C C 13 175.045 0.000 . 1 . . . . 26 Asn C . 25093 1 221 . 1 1 26 26 ASN CA C 13 54.860 0.000 . 1 . . . . 26 Asn CA . 25093 1 222 . 1 1 26 26 ASN CB C 13 38.143 0.000 . 1 . . . . 26 Asn CB . 25093 1 223 . 1 1 26 26 ASN N N 15 118.073 0.000 . 1 . . . . 26 Asn N . 25093 1 224 . 1 1 26 26 ASN ND2 N 15 112.048 0.005 . 1 . . . . 26 Asn ND2 . 25093 1 225 . 1 1 27 27 LEU H H 1 8.049 0.000 . 1 . . . . 27 Leu H . 25093 1 226 . 1 1 27 27 LEU HA H 1 4.593 0.000 . 1 . . . . 27 Leu HA . 25093 1 227 . 1 1 27 27 LEU HB2 H 1 1.518 0.000 . 1 . . . . 27 Leu HB2 . 25093 1 228 . 1 1 27 27 LEU HB3 H 1 1.518 0.000 . 1 . . . . 27 Leu HB3 . 25093 1 229 . 1 1 27 27 LEU HD11 H 1 0.829 0.000 . 1 . . . . 27 Leu HD11 . 25093 1 230 . 1 1 27 27 LEU HD12 H 1 0.829 0.000 . 1 . . . . 27 Leu HD12 . 25093 1 231 . 1 1 27 27 LEU HD13 H 1 0.829 0.000 . 1 . . . . 27 Leu HD13 . 25093 1 232 . 1 1 27 27 LEU HD21 H 1 0.829 0.000 . 1 . . . . 27 Leu HD21 . 25093 1 233 . 1 1 27 27 LEU HD22 H 1 0.829 0.000 . 1 . . . . 27 Leu HD22 . 25093 1 234 . 1 1 27 27 LEU HD23 H 1 0.829 0.000 . 1 . . . . 27 Leu HD23 . 25093 1 235 . 1 1 27 27 LEU C C 13 175.025 0.000 . 1 . . . . 27 Leu C . 25093 1 236 . 1 1 27 27 LEU CA C 13 54.725 0.000 . 1 . . . . 27 Leu CA . 25093 1 237 . 1 1 27 27 LEU CB C 13 47.101 0.000 . 1 . . . . 27 Leu CB . 25093 1 238 . 1 1 27 27 LEU CG C 13 25.565 0.000 . 1 . . . . 27 Leu CG . 25093 1 239 . 1 1 27 27 LEU N N 15 118.537 0.000 . 1 . . . . 27 Leu N . 25093 1 240 . 1 1 28 28 ASN H H 1 8.949 0.000 . 1 . . . . 28 Asn H . 25093 1 241 . 1 1 28 28 ASN HA H 1 4.893 0.000 . 1 . . . . 28 Asn HA . 25093 1 242 . 1 1 28 28 ASN HB2 H 1 2.615 0.000 . 1 . . . . 28 Asn HB2 . 25093 1 243 . 1 1 28 28 ASN HB3 H 1 2.985 0.000 . 1 . . . . 28 Asn HB3 . 25093 1 244 . 1 1 28 28 ASN HD21 H 1 7.469 0.570 . 1 . . . . 28 Asn HD21 . 25093 1 245 . 1 1 28 28 ASN HD22 H 1 7.469 0.570 . 1 . . . . 28 Asn HD22 . 25093 1 246 . 1 1 28 28 ASN C C 13 174.979 0.000 . 1 . . . . 28 Asn C . 25093 1 247 . 1 1 28 28 ASN CA C 13 51.929 0.000 . 1 . . . . 28 Asn CA . 25093 1 248 . 1 1 28 28 ASN CB C 13 43.338 0.000 . 1 . . . . 28 Asn CB . 25093 1 249 . 1 1 28 28 ASN N N 15 121.586 0.000 . 1 . . . . 28 Asn N . 25093 1 250 . 1 1 28 28 ASN ND2 N 15 116.166 0.000 . 1 . . . . 28 Asn ND2 . 25093 1 251 . 1 1 29 29 ILE H H 1 8.412 0.000 . 1 . . . . 29 Ile H . 25093 1 252 . 1 1 29 29 ILE HA H 1 3.375 0.000 . 1 . . . . 29 Ile HA . 25093 1 253 . 1 1 29 29 ILE HB H 1 1.682 0.000 . 1 . . . . 29 Ile HB . 25093 1 254 . 1 1 29 29 ILE HG12 H 1 1.405 0.000 . 1 . . . . 29 Ile HG12 . 25093 1 255 . 1 1 29 29 ILE HG13 H 1 1.405 0.000 . 1 . . . . 29 Ile HG13 . 25093 1 256 . 1 1 29 29 ILE HG21 H 1 0.837 0.000 . 1 . . . . 29 Ile HG21 . 25093 1 257 . 1 1 29 29 ILE HG22 H 1 0.837 0.000 . 1 . . . . 29 Ile HG22 . 25093 1 258 . 1 1 29 29 ILE HG23 H 1 0.837 0.000 . 1 . . . . 29 Ile HG23 . 25093 1 259 . 1 1 29 29 ILE HD11 H 1 0.580 0.000 . 1 . . . . 29 Ile HD11 . 25093 1 260 . 1 1 29 29 ILE HD12 H 1 0.580 0.000 . 1 . . . . 29 Ile HD12 . 25093 1 261 . 1 1 29 29 ILE HD13 H 1 0.580 0.000 . 1 . . . . 29 Ile HD13 . 25093 1 262 . 1 1 29 29 ILE C C 13 176.470 0.000 . 1 . . . . 29 Ile C . 25093 1 263 . 1 1 29 29 ILE CA C 13 63.889 0.000 . 1 . . . . 29 Ile CA . 25093 1 264 . 1 1 29 29 ILE CB C 13 36.631 0.000 . 1 . . . . 29 Ile CB . 25093 1 265 . 1 1 29 29 ILE CG1 C 13 29.452 0.000 . 1 . . . . 29 Ile CG1 . 25093 1 266 . 1 1 29 29 ILE CG2 C 13 19.436 0.000 . 1 . . . . 29 Ile CG2 . 25093 1 267 . 1 1 29 29 ILE CD1 C 13 11.697 0.000 . 1 . . . . 29 Ile CD1 . 25093 1 268 . 1 1 29 29 ILE N N 15 119.988 0.000 . 1 . . . . 29 Ile N . 25093 1 269 . 1 1 30 30 ASP H H 1 9.160 0.000 . 1 . . . . 30 Asp H . 25093 1 270 . 1 1 30 30 ASP HA H 1 4.340 0.000 . 1 . . . . 30 Asp HA . 25093 1 271 . 1 1 30 30 ASP HB2 H 1 3.059 0.000 . 2 . . . . 30 Asp HB2 . 25093 1 272 . 1 1 30 30 ASP HB3 H 1 2.638 0.000 . 2 . . . . 30 Asp HB3 . 25093 1 273 . 1 1 30 30 ASP CA C 13 58.817 0.000 . 1 . . . . 30 Asp CA . 25093 1 274 . 1 1 30 30 ASP CB C 13 38.203 0.000 . 1 . . . . 30 Asp CB . 25093 1 275 . 1 1 30 30 ASP N N 15 121.356 0.005 . 1 . . . . 30 Asp N . 25093 1 276 . 1 1 31 31 ASP H H 1 8.085 0.000 . 1 . . . . 31 Asp H . 25093 1 277 . 1 1 31 31 ASP HB2 H 1 3.032 0.000 . 1 . . . . 31 Asp HB2 . 25093 1 278 . 1 1 31 31 ASP HB3 H 1 3.032 0.000 . 1 . . . . 31 Asp HB3 . 25093 1 279 . 1 1 31 31 ASP C C 13 175.889 0.000 . 1 . . . . 31 Asp C . 25093 1 280 . 1 1 31 31 ASP CA C 13 56.141 0.000 . 1 . . . . 31 Asp CA . 25093 1 281 . 1 1 31 31 ASP CB C 13 41.989 0.000 . 1 . . . . 31 Asp CB . 25093 1 282 . 1 1 31 31 ASP N N 15 121.996 0.006 . 1 . . . . 31 Asp N . 25093 1 283 . 1 1 32 32 GLU H H 1 8.722 0.000 . 1 . . . . 32 Glu H . 25093 1 284 . 1 1 32 32 GLU HA H 1 4.675 0.000 . 1 . . . . 32 Glu HA . 25093 1 285 . 1 1 32 32 GLU HB2 H 1 2.274 0.000 . 1 . . . . 32 Glu HB2 . 25093 1 286 . 1 1 32 32 GLU HB3 H 1 2.274 0.000 . 1 . . . . 32 Glu HB3 . 25093 1 287 . 1 1 32 32 GLU HG2 H 1 2.571 0.000 . 1 . . . . 32 Glu HG2 . 25093 1 288 . 1 1 32 32 GLU HG3 H 1 2.571 0.000 . 1 . . . . 32 Glu HG3 . 25093 1 289 . 1 1 32 32 GLU C C 13 176.695 0.000 . 1 . . . . 32 Glu C . 25093 1 290 . 1 1 32 32 GLU CA C 13 57.096 0.000 . 1 . . . . 32 Glu CA . 25093 1 291 . 1 1 32 32 GLU CB C 13 31.884 0.000 . 1 . . . . 32 Glu CB . 25093 1 292 . 1 1 32 32 GLU CG C 13 37.801 0.000 . 1 . . . . 32 Glu CG . 25093 1 293 . 1 1 32 32 GLU N N 15 120.821 0.000 . 1 . . . . 32 Glu N . 25093 1 294 . 1 1 33 33 VAL H H 1 8.444 0.000 . 1 . . . . 33 Val H . 25093 1 295 . 1 1 33 33 VAL HA H 1 5.001 0.000 . 1 . . . . 33 Val HA . 25093 1 296 . 1 1 33 33 VAL HB H 1 1.874 0.000 . 1 . . . . 33 Val HB . 25093 1 297 . 1 1 33 33 VAL HG11 H 1 0.622 0.000 . 2 . . . . 33 Val HG11 . 25093 1 298 . 1 1 33 33 VAL HG12 H 1 0.622 0.000 . 2 . . . . 33 Val HG12 . 25093 1 299 . 1 1 33 33 VAL HG13 H 1 0.622 0.000 . 2 . . . . 33 Val HG13 . 25093 1 300 . 1 1 33 33 VAL HG21 H 1 0.448 0.000 . 2 . . . . 33 Val HG21 . 25093 1 301 . 1 1 33 33 VAL HG22 H 1 0.448 0.000 . 2 . . . . 33 Val HG22 . 25093 1 302 . 1 1 33 33 VAL HG23 H 1 0.448 0.000 . 2 . . . . 33 Val HG23 . 25093 1 303 . 1 1 33 33 VAL C C 13 173.613 0.000 . 1 . . . . 33 Val C . 25093 1 304 . 1 1 33 33 VAL CA C 13 55.211 0.000 . 1 . . . . 33 Val CA . 25093 1 305 . 1 1 33 33 VAL CB C 13 36.239 0.000 . 1 . . . . 33 Val CB . 25093 1 306 . 1 1 33 33 VAL CG1 C 13 22.795 0.000 . 1 . . . . 33 Val CG1 . 25093 1 307 . 1 1 33 33 VAL CG2 C 13 22.795 0.000 . 1 . . . . 33 Val CG2 . 25093 1 308 . 1 1 33 33 VAL N N 15 114.195 0.000 . 1 . . . . 33 Val N . 25093 1 309 . 1 1 34 34 LYS H H 1 9.048 0.000 . 1 . . . . 34 Lys H . 25093 1 310 . 1 1 34 34 LYS HA H 1 4.942 0.000 . 1 . . . . 34 Lys HA . 25093 1 311 . 1 1 34 34 LYS HB2 H 1 1.565 0.000 . 1 . . . . 34 Lys HB2 . 25093 1 312 . 1 1 34 34 LYS HB3 H 1 1.565 0.000 . 1 . . . . 34 Lys HB3 . 25093 1 313 . 1 1 34 34 LYS HG2 H 1 1.419 0.000 . 1 . . . . 34 Lys HG2 . 25093 1 314 . 1 1 34 34 LYS HG3 H 1 1.097 0.000 . 1 . . . . 34 Lys HG3 . 25093 1 315 . 1 1 34 34 LYS HD2 H 1 1.554 0.000 . 1 . . . . 34 Lys HD2 . 25093 1 316 . 1 1 34 34 LYS HD3 H 1 1.554 0.000 . 1 . . . . 34 Lys HD3 . 25093 1 317 . 1 1 34 34 LYS HE2 H 1 2.819 0.000 . 1 . . . . 34 Lys HE2 . 25093 1 318 . 1 1 34 34 LYS HE3 H 1 2.819 0.000 . 1 . . . . 34 Lys HE3 . 25093 1 319 . 1 1 34 34 LYS C C 13 175.199 0.000 . 1 . . . . 34 Lys C . 25093 1 320 . 1 1 34 34 LYS CA C 13 55.382 0.000 . 1 . . . . 34 Lys CA . 25093 1 321 . 1 1 34 34 LYS CB C 13 35.896 0.000 . 1 . . . . 34 Lys CB . 25093 1 322 . 1 1 34 34 LYS CG C 13 25.493 0.000 . 1 . . . . 34 Lys CG . 25093 1 323 . 1 1 34 34 LYS CD C 13 30.490 0.000 . 1 . . . . 34 Lys CD . 25093 1 324 . 1 1 34 34 LYS N N 15 121.802 0.000 . 1 . . . . 34 Lys N . 25093 1 325 . 1 1 35 35 ILE H H 1 8.661 0.000 . 1 . . . . 35 Ile H . 25093 1 326 . 1 1 35 35 ILE HA H 1 5.078 0.000 . 1 . . . . 35 Ile HA . 25093 1 327 . 1 1 35 35 ILE HB H 1 1.508 0.000 . 1 . . . . 35 Ile HB . 25093 1 328 . 1 1 35 35 ILE HG21 H 1 0.721 0.000 . 1 . . . . 35 Ile HG21 . 25093 1 329 . 1 1 35 35 ILE HG22 H 1 0.721 0.000 . 1 . . . . 35 Ile HG22 . 25093 1 330 . 1 1 35 35 ILE HG23 H 1 0.721 0.000 . 1 . . . . 35 Ile HG23 . 25093 1 331 . 1 1 35 35 ILE HD11 H 1 0.717 0.000 . 1 . . . . 35 Ile HD11 . 25093 1 332 . 1 1 35 35 ILE HD12 H 1 0.717 0.000 . 1 . . . . 35 Ile HD12 . 25093 1 333 . 1 1 35 35 ILE HD13 H 1 0.717 0.000 . 1 . . . . 35 Ile HD13 . 25093 1 334 . 1 1 35 35 ILE C C 13 173.852 0.000 . 1 . . . . 35 Ile C . 25093 1 335 . 1 1 35 35 ILE CA C 13 60.901 0.000 . 1 . . . . 35 Ile CA . 25093 1 336 . 1 1 35 35 ILE CB C 13 40.897 0.000 . 1 . . . . 35 Ile CB . 25093 1 337 . 1 1 35 35 ILE CG1 C 13 28.420 0.000 . 1 . . . . 35 Ile CG1 . 25093 1 338 . 1 1 35 35 ILE CG2 C 13 18.542 0.000 . 1 . . . . 35 Ile CG2 . 25093 1 339 . 1 1 35 35 ILE CD1 C 13 14.504 0.000 . 1 . . . . 35 Ile CD1 . 25093 1 340 . 1 1 35 35 ILE N N 15 122.902 0.004 . 1 . . . . 35 Ile N . 25093 1 341 . 1 1 36 36 ASP H H 1 8.962 0.000 . 1 . . . . 36 Asp H . 25093 1 342 . 1 1 36 36 ASP HA H 1 5.082 0.000 . 1 . . . . 36 Asp HA . 25093 1 343 . 1 1 36 36 ASP HB2 H 1 2.499 0.000 . 1 . . . . 36 Asp HB2 . 25093 1 344 . 1 1 36 36 ASP HB3 H 1 2.467 0.000 . 1 . . . . 36 Asp HB3 . 25093 1 345 . 1 1 36 36 ASP C C 13 173.615 0.000 . 1 . . . . 36 Asp C . 25093 1 346 . 1 1 36 36 ASP CA C 13 52.593 0.000 . 1 . . . . 36 Asp CA . 25093 1 347 . 1 1 36 36 ASP CB C 13 46.193 0.000 . 1 . . . . 36 Asp CB . 25093 1 348 . 1 1 36 36 ASP N N 15 126.328 0.000 . 1 . . . . 36 Asp N . 25093 1 349 . 1 1 37 37 LEU H H 1 8.553 0.000 . 1 . . . . 37 Leu H . 25093 1 350 . 1 1 37 37 LEU HA H 1 5.208 0.000 . 1 . . . . 37 Leu HA . 25093 1 351 . 1 1 37 37 LEU HB2 H 1 1.499 0.000 . 1 . . . . 37 Leu HB2 . 25093 1 352 . 1 1 37 37 LEU HB3 H 1 1.499 0.000 . 1 . . . . 37 Leu HB3 . 25093 1 353 . 1 1 37 37 LEU HG H 1 1.445 0.000 . 1 . . . . 37 Leu HG . 25093 1 354 . 1 1 37 37 LEU HD11 H 1 0.832 0.000 . 1 . . . . 37 Leu HD11 . 25093 1 355 . 1 1 37 37 LEU HD12 H 1 0.832 0.000 . 1 . . . . 37 Leu HD12 . 25093 1 356 . 1 1 37 37 LEU HD13 H 1 0.832 0.000 . 1 . . . . 37 Leu HD13 . 25093 1 357 . 1 1 37 37 LEU HD21 H 1 0.832 0.000 . 1 . . . . 37 Leu HD21 . 25093 1 358 . 1 1 37 37 LEU HD22 H 1 0.832 0.000 . 1 . . . . 37 Leu HD22 . 25093 1 359 . 1 1 37 37 LEU HD23 H 1 0.832 0.000 . 1 . . . . 37 Leu HD23 . 25093 1 360 . 1 1 37 37 LEU C C 13 175.752 0.000 . 1 . . . . 37 Leu C . 25093 1 361 . 1 1 37 37 LEU CA C 13 54.871 0.000 . 1 . . . . 37 Leu CA . 25093 1 362 . 1 1 37 37 LEU CB C 13 45.462 0.000 . 1 . . . . 37 Leu CB . 25093 1 363 . 1 1 37 37 LEU CG C 13 26.386 0.000 . 1 . . . . 37 Leu CG . 25093 1 364 . 1 1 37 37 LEU CD1 C 13 26.641 0.000 . 1 . . . . 37 Leu CD1 . 25093 1 365 . 1 1 37 37 LEU CD2 C 13 26.641 0.000 . 1 . . . . 37 Leu CD2 . 25093 1 366 . 1 1 37 37 LEU N N 15 123.970 0.000 . 1 . . . . 37 Leu N . 25093 1 367 . 1 1 38 38 VAL H H 1 8.776 0.000 . 1 . . . . 38 Val H . 25093 1 368 . 1 1 38 38 VAL HA H 1 4.833 0.000 . 1 . . . . 38 Val HA . 25093 1 369 . 1 1 38 38 VAL HB H 1 1.716 0.000 . 1 . . . . 38 Val HB . 25093 1 370 . 1 1 38 38 VAL HG11 H 1 0.837 0.000 . 1 . . . . 38 Val HG11 . 25093 1 371 . 1 1 38 38 VAL HG12 H 1 0.837 0.000 . 1 . . . . 38 Val HG12 . 25093 1 372 . 1 1 38 38 VAL HG13 H 1 0.837 0.000 . 1 . . . . 38 Val HG13 . 25093 1 373 . 1 1 38 38 VAL HG21 H 1 0.837 0.000 . 1 . . . . 38 Val HG21 . 25093 1 374 . 1 1 38 38 VAL HG22 H 1 0.837 0.000 . 1 . . . . 38 Val HG22 . 25093 1 375 . 1 1 38 38 VAL HG23 H 1 0.837 0.000 . 1 . . . . 38 Val HG23 . 25093 1 376 . 1 1 38 38 VAL C C 13 175.438 0.000 . 1 . . . . 38 Val C . 25093 1 377 . 1 1 38 38 VAL CA C 13 62.238 0.000 . 1 . . . . 38 Val CA . 25093 1 378 . 1 1 38 38 VAL CB C 13 36.081 0.000 . 1 . . . . 38 Val CB . 25093 1 379 . 1 1 38 38 VAL CG1 C 13 22.143 0.000 . 1 . . . . 38 Val CG1 . 25093 1 380 . 1 1 38 38 VAL CG2 C 13 22.143 0.000 . 1 . . . . 38 Val CG2 . 25093 1 381 . 1 1 38 38 VAL N N 15 126.701 0.000 . 1 . . . . 38 Val N . 25093 1 382 . 1 1 39 39 ASP H H 1 9.172 0.000 . 1 . . . . 39 Asp H . 25093 1 383 . 1 1 39 39 ASP HA H 1 3.384 0.000 . 1 . . . . 39 Asp HA . 25093 1 384 . 1 1 39 39 ASP HB2 H 1 2.906 0.000 . 1 . . . . 39 Asp HB2 . 25093 1 385 . 1 1 39 39 ASP HB3 H 1 2.906 0.000 . 1 . . . . 39 Asp HB3 . 25093 1 386 . 1 1 39 39 ASP C C 13 175.956 0.000 . 1 . . . . 39 Asp C . 25093 1 387 . 1 1 39 39 ASP CA C 13 55.900 0.000 . 1 . . . . 39 Asp CA . 25093 1 388 . 1 1 39 39 ASP CB C 13 40.641 0.000 . 1 . . . . 39 Asp CB . 25093 1 389 . 1 1 39 39 ASP N N 15 127.372 0.000 . 1 . . . . 39 Asp N . 25093 1 390 . 1 1 40 40 GLY H H 1 8.457 0.000 . 1 . . . . 40 Gly H . 25093 1 391 . 1 1 40 40 GLY HA2 H 1 3.745 0.000 . 1 . . . . 40 Gly HA2 . 25093 1 392 . 1 1 40 40 GLY HA3 H 1 3.745 0.000 . 1 . . . . 40 Gly HA3 . 25093 1 393 . 1 1 40 40 GLY C C 13 172.853 0.000 . 1 . . . . 40 Gly C . 25093 1 394 . 1 1 40 40 GLY CA C 13 46.387 0.000 . 1 . . . . 40 Gly CA . 25093 1 395 . 1 1 40 40 GLY N N 15 103.215 0.000 . 1 . . . . 40 Gly N . 25093 1 396 . 1 1 41 41 LYS H H 1 7.707 0.000 . 1 . . . . 41 Lys H . 25093 1 397 . 1 1 41 41 LYS HA H 1 4.791 0.000 . 1 . . . . 41 Lys HA . 25093 1 398 . 1 1 41 41 LYS HB2 H 1 1.513 0.000 . 1 . . . . 41 Lys HB2 . 25093 1 399 . 1 1 41 41 LYS HB3 H 1 1.513 0.000 . 1 . . . . 41 Lys HB3 . 25093 1 400 . 1 1 41 41 LYS HG2 H 1 1.396 0.000 . 1 . . . . 41 Lys HG2 . 25093 1 401 . 1 1 41 41 LYS HG3 H 1 1.396 0.000 . 1 . . . . 41 Lys HG3 . 25093 1 402 . 1 1 41 41 LYS HD2 H 1 1.694 0.000 . 1 . . . . 41 Lys HD2 . 25093 1 403 . 1 1 41 41 LYS HD3 H 1 1.528 0.000 . 1 . . . . 41 Lys HD3 . 25093 1 404 . 1 1 41 41 LYS HE2 H 1 2.952 0.000 . 2 . . . . 41 Lys HE2 . 25093 1 405 . 1 1 41 41 LYS HE3 H 1 2.854 0.000 . 2 . . . . 41 Lys HE3 . 25093 1 406 . 1 1 41 41 LYS C C 13 174.386 0.000 . 1 . . . . 41 Lys C . 25093 1 407 . 1 1 41 41 LYS CA C 13 54.793 0.000 . 1 . . . . 41 Lys CA . 25093 1 408 . 1 1 41 41 LYS CB C 13 33.816 0.000 . 1 . . . . 41 Lys CB . 25093 1 409 . 1 1 41 41 LYS CG C 13 25.493 0.000 . 1 . . . . 41 Lys CG . 25093 1 410 . 1 1 41 41 LYS CD C 13 30.139 0.000 . 1 . . . . 41 Lys CD . 25093 1 411 . 1 1 41 41 LYS CE C 13 42.484 0.000 . 1 . . . . 41 Lys CE . 25093 1 412 . 1 1 41 41 LYS N N 15 117.252 0.000 . 1 . . . . 41 Lys N . 25093 1 413 . 1 1 42 42 LEU H H 1 8.643 0.001 . 1 . . . . 42 Leu H . 25093 1 414 . 1 1 42 42 LEU HA H 1 5.079 0.000 . 1 . . . . 42 Leu HA . 25093 1 415 . 1 1 42 42 LEU HB2 H 1 1.425 0.000 . 2 . . . . 42 Leu HB2 . 25093 1 416 . 1 1 42 42 LEU HB3 H 1 1.595 0.000 . 2 . . . . 42 Leu HB3 . 25093 1 417 . 1 1 42 42 LEU HD11 H 1 0.690 0.000 . 1 . . . . 42 Leu HD11 . 25093 1 418 . 1 1 42 42 LEU HD12 H 1 0.690 0.000 . 1 . . . . 42 Leu HD12 . 25093 1 419 . 1 1 42 42 LEU HD13 H 1 0.690 0.000 . 1 . . . . 42 Leu HD13 . 25093 1 420 . 1 1 42 42 LEU HD21 H 1 0.690 0.000 . 1 . . . . 42 Leu HD21 . 25093 1 421 . 1 1 42 42 LEU HD22 H 1 0.690 0.000 . 1 . . . . 42 Leu HD22 . 25093 1 422 . 1 1 42 42 LEU HD23 H 1 0.690 0.000 . 1 . . . . 42 Leu HD23 . 25093 1 423 . 1 1 42 42 LEU C C 13 174.783 0.000 . 1 . . . . 42 Leu C . 25093 1 424 . 1 1 42 42 LEU CA C 13 54.467 0.000 . 1 . . . . 42 Leu CA . 25093 1 425 . 1 1 42 42 LEU CB C 13 44.015 0.000 . 1 . . . . 42 Leu CB . 25093 1 426 . 1 1 42 42 LEU CG C 13 26.064 0.000 . 1 . . . . 42 Leu CG . 25093 1 427 . 1 1 42 42 LEU N N 15 120.012 0.006 . 1 . . . . 42 Leu N . 25093 1 428 . 1 1 43 43 ILE H H 1 9.049 0.000 . 1 . . . . 43 Ile H . 25093 1 429 . 1 1 43 43 ILE HA H 1 4.241 0.000 . 1 . . . . 43 Ile HA . 25093 1 430 . 1 1 43 43 ILE HB H 1 1.762 0.000 . 1 . . . . 43 Ile HB . 25093 1 431 . 1 1 43 43 ILE HG12 H 1 1.256 0.000 . 2 . . . . 43 Ile HG12 . 25093 1 432 . 1 1 43 43 ILE HG13 H 1 1.231 0.000 . 2 . . . . 43 Ile HG13 . 25093 1 433 . 1 1 43 43 ILE HG21 H 1 0.732 0.000 . 1 . . . . 43 Ile HG21 . 25093 1 434 . 1 1 43 43 ILE HG22 H 1 0.732 0.000 . 1 . . . . 43 Ile HG22 . 25093 1 435 . 1 1 43 43 ILE HG23 H 1 0.732 0.000 . 1 . . . . 43 Ile HG23 . 25093 1 436 . 1 1 43 43 ILE HD11 H 1 1.377 0.000 . 1 . . . . 43 Ile HD11 . 25093 1 437 . 1 1 43 43 ILE HD12 H 1 1.377 0.000 . 1 . . . . 43 Ile HD12 . 25093 1 438 . 1 1 43 43 ILE HD13 H 1 1.377 0.000 . 1 . . . . 43 Ile HD13 . 25093 1 439 . 1 1 43 43 ILE C C 13 175.893 0.000 . 1 . . . . 43 Ile C . 25093 1 440 . 1 1 43 43 ILE CA C 13 60.276 0.000 . 1 . . . . 43 Ile CA . 25093 1 441 . 1 1 43 43 ILE CB C 13 43.635 0.000 . 1 . . . . 43 Ile CB . 25093 1 442 . 1 1 43 43 ILE CG1 C 13 28.486 0.000 . 1 . . . . 43 Ile CG1 . 25093 1 443 . 1 1 43 43 ILE CG2 C 13 19.642 0.000 . 1 . . . . 43 Ile CG2 . 25093 1 444 . 1 1 43 43 ILE CD1 C 13 13.391 0.000 . 1 . . . . 43 Ile CD1 . 25093 1 445 . 1 1 43 43 ILE N N 15 123.925 0.000 . 1 . . . . 43 Ile N . 25093 1 446 . 1 1 44 44 ILE H H 1 9.441 0.000 . 1 . . . . 44 Ile H . 25093 1 447 . 1 1 44 44 ILE HA H 1 4.947 0.000 . 1 . . . . 44 Ile HA . 25093 1 448 . 1 1 44 44 ILE HB H 1 1.846 0.000 . 1 . . . . 44 Ile HB . 25093 1 449 . 1 1 44 44 ILE HG12 H 1 1.544 0.000 . 1 . . . . 44 Ile HG12 . 25093 1 450 . 1 1 44 44 ILE HG13 H 1 1.544 0.000 . 1 . . . . 44 Ile HG13 . 25093 1 451 . 1 1 44 44 ILE HG21 H 1 0.625 0.000 . 1 . . . . 44 Ile HG21 . 25093 1 452 . 1 1 44 44 ILE HG22 H 1 0.625 0.000 . 1 . . . . 44 Ile HG22 . 25093 1 453 . 1 1 44 44 ILE HG23 H 1 0.625 0.000 . 1 . . . . 44 Ile HG23 . 25093 1 454 . 1 1 44 44 ILE HD11 H 1 0.643 0.000 . 1 . . . . 44 Ile HD11 . 25093 1 455 . 1 1 44 44 ILE HD12 H 1 0.643 0.000 . 1 . . . . 44 Ile HD12 . 25093 1 456 . 1 1 44 44 ILE HD13 H 1 0.643 0.000 . 1 . . . . 44 Ile HD13 . 25093 1 457 . 1 1 44 44 ILE C C 13 174.249 0.000 . 1 . . . . 44 Ile C . 25093 1 458 . 1 1 44 44 ILE CA C 13 60.998 0.000 . 1 . . . . 44 Ile CA . 25093 1 459 . 1 1 44 44 ILE CB C 13 39.982 0.000 . 1 . . . . 44 Ile CB . 25093 1 460 . 1 1 44 44 ILE CG1 C 13 27.835 0.000 . 1 . . . . 44 Ile CG1 . 25093 1 461 . 1 1 44 44 ILE CG2 C 13 17.298 0.000 . 1 . . . . 44 Ile CG2 . 25093 1 462 . 1 1 44 44 ILE N N 15 126.957 0.000 . 1 . . . . 44 Ile N . 25093 1 463 . 1 1 45 45 GLU H H 1 8.986 0.000 . 1 . . . . 45 Glu H . 25093 1 464 . 1 1 45 45 GLU HA H 1 5.170 0.000 . 1 . . . . 45 Glu HA . 25093 1 465 . 1 1 45 45 GLU HB2 H 1 1.851 0.000 . 1 . . . . 45 Glu HB2 . 25093 1 466 . 1 1 45 45 GLU HB3 H 1 1.851 0.000 . 1 . . . . 45 Glu HB3 . 25093 1 467 . 1 1 45 45 GLU HG2 H 1 2.295 0.000 . 1 . . . . 45 Glu HG2 . 25093 1 468 . 1 1 45 45 GLU HG3 H 1 2.295 0.000 . 1 . . . . 45 Glu HG3 . 25093 1 469 . 1 1 45 45 GLU CA C 13 52.697 0.000 . 1 . . . . 45 Glu CA . 25093 1 470 . 1 1 45 45 GLU CB C 13 34.760 0.000 . 1 . . . . 45 Glu CB . 25093 1 471 . 1 1 45 45 GLU CG C 13 36.850 0.000 . 1 . . . . 45 Glu CG . 25093 1 472 . 1 1 45 45 GLU N N 15 126.845 0.000 . 1 . . . . 45 Glu N . 25093 1 473 . 1 1 46 46 PRO HA H 1 4.838 0.000 . 1 . . . . 46 Pro HA . 25093 1 474 . 1 1 46 46 PRO HB2 H 1 2.356 0.000 . 2 . . . . 46 Pro HB2 . 25093 1 475 . 1 1 46 46 PRO HB3 H 1 2.381 0.000 . 2 . . . . 46 Pro HB3 . 25093 1 476 . 1 1 46 46 PRO HG2 H 1 1.915 0.000 . 2 . . . . 46 Pro HG2 . 25093 1 477 . 1 1 46 46 PRO HG3 H 1 1.924 0.000 . 2 . . . . 46 Pro HG3 . 25093 1 478 . 1 1 46 46 PRO HD2 H 1 3.499 0.000 . 2 . . . . 46 Pro HD2 . 25093 1 479 . 1 1 46 46 PRO HD3 H 1 3.476 0.000 . 2 . . . . 46 Pro HD3 . 25093 1 480 . 1 1 46 46 PRO C C 13 176.406 0.000 . 1 . . . . 46 Pro C . 25093 1 481 . 1 1 46 46 PRO CA C 13 62.776 0.000 . 1 . . . . 46 Pro CA . 25093 1 482 . 1 1 46 46 PRO CB C 13 35.271 0.000 . 1 . . . . 46 Pro CB . 25093 1 483 . 1 1 46 46 PRO CG C 13 25.268 0.000 . 1 . . . . 46 Pro CG . 25093 1 484 . 1 1 46 46 PRO CD C 13 50.899 0.000 . 1 . . . . 46 Pro CD . 25093 1 485 . 1 1 47 47 VAL H H 1 7.965 0.000 . 1 . . . . 47 Val H . 25093 1 486 . 1 1 47 47 VAL HA H 1 4.008 0.000 . 1 . . . . 47 Val HA . 25093 1 487 . 1 1 47 47 VAL HB H 1 1.988 0.000 . 1 . . . . 47 Val HB . 25093 1 488 . 1 1 47 47 VAL HG11 H 1 0.839 0.000 . 1 . . . . 47 Val HG11 . 25093 1 489 . 1 1 47 47 VAL HG12 H 1 0.839 0.000 . 1 . . . . 47 Val HG12 . 25093 1 490 . 1 1 47 47 VAL HG13 H 1 0.839 0.000 . 1 . . . . 47 Val HG13 . 25093 1 491 . 1 1 47 47 VAL HG21 H 1 0.839 0.000 . 1 . . . . 47 Val HG21 . 25093 1 492 . 1 1 47 47 VAL HG22 H 1 0.839 0.000 . 1 . . . . 47 Val HG22 . 25093 1 493 . 1 1 47 47 VAL HG23 H 1 0.839 0.000 . 1 . . . . 47 Val HG23 . 25093 1 494 . 1 1 47 47 VAL C C 13 175.813 0.000 . 1 . . . . 47 Val C . 25093 1 495 . 1 1 47 47 VAL CA C 13 63.718 0.000 . 1 . . . . 47 Val CA . 25093 1 496 . 1 1 47 47 VAL CB C 13 32.666 0.000 . 1 . . . . 47 Val CB . 25093 1 497 . 1 1 47 47 VAL CG1 C 13 22.143 0.000 . 2 . . . . 47 Val CG1 . 25093 1 498 . 1 1 47 47 VAL CG2 C 13 21.879 0.000 . 2 . . . . 47 Val CG2 . 25093 1 499 . 1 1 47 47 VAL N N 15 123.604 0.000 . 1 . . . . 47 Val N . 25093 1 500 . 1 1 48 48 ARG H H 1 8.667 0.000 . 1 . . . . 48 Arg H . 25093 1 501 . 1 1 48 48 ARG HA H 1 4.440 0.000 . 1 . . . . 48 Arg HA . 25093 1 502 . 1 1 48 48 ARG HB2 H 1 1.928 0.000 . 2 . . . . 48 Arg HB2 . 25093 1 503 . 1 1 48 48 ARG HB3 H 1 1.754 0.000 . 2 . . . . 48 Arg HB3 . 25093 1 504 . 1 1 48 48 ARG HG2 H 1 1.642 0.000 . 2 . . . . 48 Arg HG2 . 25093 1 505 . 1 1 48 48 ARG HG3 H 1 1.588 0.000 . 2 . . . . 48 Arg HG3 . 25093 1 506 . 1 1 48 48 ARG HD2 H 1 3.160 0.000 . 1 . . . . 48 Arg HD2 . 25093 1 507 . 1 1 48 48 ARG HD3 H 1 3.173 0.000 . 1 . . . . 48 Arg HD3 . 25093 1 508 . 1 1 48 48 ARG HE H 1 7.314 0.000 . 1 . . . . 48 Arg HE . 25093 1 509 . 1 1 48 48 ARG C C 13 178.548 0.000 . 1 . . . . 48 Arg C . 25093 1 510 . 1 1 48 48 ARG CA C 13 56.199 0.000 . 1 . . . . 48 Arg CA . 25093 1 511 . 1 1 48 48 ARG CB C 13 31.468 0.000 . 1 . . . . 48 Arg CB . 25093 1 512 . 1 1 48 48 ARG CG C 13 27.769 0.000 . 1 . . . . 48 Arg CG . 25093 1 513 . 1 1 48 48 ARG CD C 13 44.022 0.000 . 1 . . . . 48 Arg CD . 25093 1 514 . 1 1 48 48 ARG N N 15 126.361 0.000 . 1 . . . . 48 Arg N . 25093 1 515 . 1 1 48 48 ARG NE N 15 85.056 0.000 . 1 . . . . 48 Arg NE . 25093 1 516 . 1 1 49 49 LYS H H 1 8.552 0.000 . 1 . . . . 49 Lys H . 25093 1 517 . 1 1 49 49 LYS HA H 1 4.364 0.000 . 1 . . . . 49 Lys HA . 25093 1 518 . 1 1 49 49 LYS HB2 H 1 1.862 0.000 . 2 . . . . 49 Lys HB2 . 25093 1 519 . 1 1 49 49 LYS HB3 H 1 1.732 0.000 . 2 . . . . 49 Lys HB3 . 25093 1 520 . 1 1 49 49 LYS HG2 H 1 1.364 0.000 . 1 . . . . 49 Lys HG2 . 25093 1 521 . 1 1 49 49 LYS HG3 H 1 1.339 0.000 . 1 . . . . 49 Lys HG3 . 25093 1 522 . 1 1 49 49 LYS HD2 H 1 1.609 0.000 . 1 . . . . 49 Lys HD2 . 25093 1 523 . 1 1 49 49 LYS HD3 H 1 1.666 0.000 . 1 . . . . 49 Lys HD3 . 25093 1 524 . 1 1 49 49 LYS HE2 H 1 3.018 0.000 . 1 . . . . 49 Lys HE2 . 25093 1 525 . 1 1 49 49 LYS HE3 H 1 2.934 0.000 . 1 . . . . 49 Lys HE3 . 25093 1 526 . 1 1 49 49 LYS C C 13 176.282 0.000 . 1 . . . . 49 Lys C . 25093 1 527 . 1 1 49 49 LYS CA C 13 56.774 0.000 . 1 . . . . 49 Lys CA . 25093 1 528 . 1 1 49 49 LYS CB C 13 34.214 0.000 . 1 . . . . 49 Lys CB . 25093 1 529 . 1 1 49 49 LYS CG C 13 25.268 0.000 . 1 . . . . 49 Lys CG . 25093 1 530 . 1 1 49 49 LYS CD C 13 29.644 0.000 . 1 . . . . 49 Lys CD . 25093 1 531 . 1 1 49 49 LYS CE C 13 42.772 0.000 . 1 . . . . 49 Lys CE . 25093 1 532 . 1 1 49 49 LYS N N 15 124.166 0.000 . 1 . . . . 49 Lys N . 25093 1 533 . 1 1 50 50 GLU H H 1 8.441 0.001 . 1 . . . . 50 Glu H . 25093 1 534 . 1 1 50 50 GLU C C 13 174.501 0.000 . 1 . . . . 50 Glu C . 25093 1 535 . 1 1 50 50 GLU CA C 13 54.912 0.000 . 1 . . . . 50 Glu CA . 25093 1 536 . 1 1 50 50 GLU CB C 13 30.510 0.000 . 1 . . . . 50 Glu CB . 25093 1 537 . 1 1 50 50 GLU N N 15 123.569 0.006 . 1 . . . . 50 Glu N . 25093 1 538 . 1 1 51 51 PRO HA H 1 4.368 0.000 . 1 . . . . 51 Pro HA . 25093 1 539 . 1 1 51 51 PRO HB2 H 1 2.100 0.000 . 2 . . . . 51 Pro HB2 . 25093 1 540 . 1 1 51 51 PRO HB3 H 1 2.170 0.000 . 2 . . . . 51 Pro HB3 . 25093 1 541 . 1 1 51 51 PRO HG2 H 1 1.787 0.000 . 2 . . . . 51 Pro HG2 . 25093 1 542 . 1 1 51 51 PRO HG3 H 1 1.961 0.000 . 2 . . . . 51 Pro HG3 . 25093 1 543 . 1 1 51 51 PRO HD2 H 1 3.730 0.000 . 2 . . . . 51 Pro HD2 . 25093 1 544 . 1 1 51 51 PRO HD3 H 1 3.696 0.000 . 2 . . . . 51 Pro HD3 . 25093 1 545 . 1 1 51 51 PRO C C 13 176.413 0.000 . 1 . . . . 51 Pro C . 25093 1 546 . 1 1 51 51 PRO CA C 13 63.685 0.000 . 1 . . . . 51 Pro CA . 25093 1 547 . 1 1 51 51 PRO CB C 13 32.979 0.000 . 1 . . . . 51 Pro CB . 25093 1 548 . 1 1 51 51 PRO CG C 13 28.109 0.000 . 1 . . . . 51 Pro CG . 25093 1 549 . 1 1 51 51 PRO CD C 13 51.321 0.000 . 1 . . . . 51 Pro CD . 25093 1 550 . 1 1 52 52 VAL H H 1 8.108 0.000 . 1 . . . . 52 Val H . 25093 1 551 . 1 1 52 52 VAL HA H 1 4.043 0.000 . 1 . . . . 52 Val HA . 25093 1 552 . 1 1 52 52 VAL HB H 1 1.959 0.000 . 1 . . . . 52 Val HB . 25093 1 553 . 1 1 52 52 VAL HG11 H 1 0.867 0.000 . 1 . . . . 52 Val HG11 . 25093 1 554 . 1 1 52 52 VAL HG12 H 1 0.867 0.000 . 1 . . . . 52 Val HG12 . 25093 1 555 . 1 1 52 52 VAL HG13 H 1 0.867 0.000 . 1 . . . . 52 Val HG13 . 25093 1 556 . 1 1 52 52 VAL HG21 H 1 0.867 0.000 . 1 . . . . 52 Val HG21 . 25093 1 557 . 1 1 52 52 VAL HG22 H 1 0.867 0.000 . 1 . . . . 52 Val HG22 . 25093 1 558 . 1 1 52 52 VAL HG23 H 1 0.867 0.000 . 1 . . . . 52 Val HG23 . 25093 1 559 . 1 1 52 52 VAL C C 13 175.799 0.000 . 1 . . . . 52 Val C . 25093 1 560 . 1 1 52 52 VAL CA C 13 62.812 0.000 . 1 . . . . 52 Val CA . 25093 1 561 . 1 1 52 52 VAL CB C 13 33.842 0.000 . 1 . . . . 52 Val CB . 25093 1 562 . 1 1 52 52 VAL CG1 C 13 21.518 0.000 . 2 . . . . 52 Val CG1 . 25093 1 563 . 1 1 52 52 VAL CG2 C 13 21.122 0.000 . 2 . . . . 52 Val CG2 . 25093 1 564 . 1 1 52 52 VAL N N 15 119.857 0.000 . 1 . . . . 52 Val N . 25093 1 565 . 1 1 53 53 PHE H H 1 8.347 0.000 . 1 . . . . 53 Phe H . 25093 1 566 . 1 1 53 53 PHE HA H 1 4.730 0.000 . 1 . . . . 53 Phe HA . 25093 1 567 . 1 1 53 53 PHE HB2 H 1 3.071 0.000 . 2 . . . . 53 Phe HB2 . 25093 1 568 . 1 1 53 53 PHE HB3 H 1 3.102 0.000 . 2 . . . . 53 Phe HB3 . 25093 1 569 . 1 1 53 53 PHE C C 13 175.626 0.000 . 1 . . . . 53 Phe C . 25093 1 570 . 1 1 53 53 PHE CA C 13 58.196 0.000 . 1 . . . . 53 Phe CA . 25093 1 571 . 1 1 53 53 PHE CB C 13 40.651 0.000 . 1 . . . . 53 Phe CB . 25093 1 572 . 1 1 53 53 PHE N N 15 124.114 0.000 . 1 . . . . 53 Phe N . 25093 1 573 . 1 1 54 54 THR H H 1 8.118 0.000 . 1 . . . . 54 Thr H . 25093 1 574 . 1 1 54 54 THR HA H 1 4.101 0.000 . 1 . . . . 54 Thr HA . 25093 1 575 . 1 1 54 54 THR HB H 1 4.199 0.000 . 1 . . . . 54 Thr HB . 25093 1 576 . 1 1 54 54 THR HG21 H 1 1.149 0.000 . 1 . . . . 54 Thr HG21 . 25093 1 577 . 1 1 54 54 THR HG22 H 1 1.149 0.000 . 1 . . . . 54 Thr HG22 . 25093 1 578 . 1 1 54 54 THR HG23 H 1 1.149 0.000 . 1 . . . . 54 Thr HG23 . 25093 1 579 . 1 1 54 54 THR C C 13 173.946 0.000 . 1 . . . . 54 Thr C . 25093 1 580 . 1 1 54 54 THR CA C 13 62.101 0.000 . 1 . . . . 54 Thr CA . 25093 1 581 . 1 1 54 54 THR CB C 13 70.731 0.000 . 1 . . . . 54 Thr CB . 25093 1 582 . 1 1 54 54 THR CG2 C 13 22.143 0.000 . 1 . . . . 54 Thr CG2 . 25093 1 583 . 1 1 54 54 THR N N 15 116.823 0.000 . 1 . . . . 54 Thr N . 25093 1 584 . 1 1 55 55 LEU H H 1 8.236 0.000 . 1 . . . . 55 Leu H . 25093 1 585 . 1 1 55 55 LEU HA H 1 4.386 0.000 . 1 . . . . 55 Leu HA . 25093 1 586 . 1 1 55 55 LEU HB2 H 1 1.601 0.000 . 2 . . . . 55 Leu HB2 . 25093 1 587 . 1 1 55 55 LEU HB3 H 1 1.538 0.000 . 2 . . . . 55 Leu HB3 . 25093 1 588 . 1 1 55 55 LEU HG H 1 1.286 0.000 . 1 . . . . 55 Leu HG . 25093 1 589 . 1 1 55 55 LEU HD11 H 1 0.907 0.000 . 2 . . . . 55 Leu HD11 . 25093 1 590 . 1 1 55 55 LEU HD12 H 1 0.907 0.000 . 2 . . . . 55 Leu HD12 . 25093 1 591 . 1 1 55 55 LEU HD13 H 1 0.907 0.000 . 2 . . . . 55 Leu HD13 . 25093 1 592 . 1 1 55 55 LEU HD21 H 1 0.896 0.000 . 2 . . . . 55 Leu HD21 . 25093 1 593 . 1 1 55 55 LEU HD22 H 1 0.896 0.000 . 2 . . . . 55 Leu HD22 . 25093 1 594 . 1 1 55 55 LEU HD23 H 1 0.896 0.000 . 2 . . . . 55 Leu HD23 . 25093 1 595 . 1 1 55 55 LEU C C 13 177.171 0.000 . 1 . . . . 55 Leu C . 25093 1 596 . 1 1 55 55 LEU CA C 13 56.179 0.000 . 1 . . . . 55 Leu CA . 25093 1 597 . 1 1 55 55 LEU CB C 13 43.055 0.000 . 1 . . . . 55 Leu CB . 25093 1 598 . 1 1 55 55 LEU CG C 13 25.268 0.000 . 1 . . . . 55 Leu CG . 25093 1 599 . 1 1 55 55 LEU CD1 C 13 25.268 0.000 . 2 . . . . 55 Leu CD1 . 25093 1 600 . 1 1 55 55 LEU CD2 C 13 24.650 0.000 . 2 . . . . 55 Leu CD2 . 25093 1 601 . 1 1 55 55 LEU N N 15 124.410 0.002 . 1 . . . . 55 Leu N . 25093 1 602 . 1 1 56 56 ALA H H 1 8.234 0.000 . 1 . . . . 56 Ala H . 25093 1 603 . 1 1 56 56 ALA HA H 1 4.207 0.000 . 1 . . . . 56 Ala HA . 25093 1 604 . 1 1 56 56 ALA HB1 H 1 1.389 0.000 . 1 . . . . 56 Ala HB1 . 25093 1 605 . 1 1 56 56 ALA HB2 H 1 1.389 0.000 . 1 . . . . 56 Ala HB2 . 25093 1 606 . 1 1 56 56 ALA HB3 H 1 1.389 0.000 . 1 . . . . 56 Ala HB3 . 25093 1 607 . 1 1 56 56 ALA C C 13 177.787 0.000 . 1 . . . . 56 Ala C . 25093 1 608 . 1 1 56 56 ALA CA C 13 53.629 0.000 . 1 . . . . 56 Ala CA . 25093 1 609 . 1 1 56 56 ALA CB C 13 19.995 0.000 . 1 . . . . 56 Ala CB . 25093 1 610 . 1 1 56 56 ALA N N 15 124.712 0.002 . 1 . . . . 56 Ala N . 25093 1 611 . 1 1 57 57 GLU H H 1 8.237 0.000 . 1 . . . . 57 Glu H . 25093 1 612 . 1 1 57 57 GLU HA H 1 4.223 0.000 . 1 . . . . 57 Glu HA . 25093 1 613 . 1 1 57 57 GLU HB2 H 1 1.866 0.000 . 1 . . . . 57 Glu HB2 . 25093 1 614 . 1 1 57 57 GLU HB3 H 1 1.866 0.000 . 1 . . . . 57 Glu HB3 . 25093 1 615 . 1 1 57 57 GLU HG2 H 1 2.230 0.000 . 2 . . . . 57 Glu HG2 . 25093 1 616 . 1 1 57 57 GLU HG3 H 1 2.554 0.000 . 2 . . . . 57 Glu HG3 . 25093 1 617 . 1 1 57 57 GLU C C 13 176.389 0.000 . 1 . . . . 57 Glu C . 25093 1 618 . 1 1 57 57 GLU CA C 13 57.368 0.000 . 1 . . . . 57 Glu CA . 25093 1 619 . 1 1 57 57 GLU CB C 13 31.175 0.000 . 1 . . . . 57 Glu CB . 25093 1 620 . 1 1 57 57 GLU CG C 13 37.146 0.000 . 1 . . . . 57 Glu CG . 25093 1 621 . 1 1 57 57 GLU N N 15 119.184 0.000 . 1 . . . . 57 Glu N . 25093 1 622 . 1 1 58 58 LEU H H 1 8.146 0.000 . 1 . . . . 58 Leu H . 25093 1 623 . 1 1 58 58 LEU HA H 1 4.354 0.000 . 1 . . . . 58 Leu HA . 25093 1 624 . 1 1 58 58 LEU HB2 H 1 1.616 0.000 . 2 . . . . 58 Leu HB2 . 25093 1 625 . 1 1 58 58 LEU HB3 H 1 1.530 0.000 . 2 . . . . 58 Leu HB3 . 25093 1 626 . 1 1 58 58 LEU HG H 1 1.397 0.000 . 1 . . . . 58 Leu HG . 25093 1 627 . 1 1 58 58 LEU HD11 H 1 0.875 0.000 . 2 . . . . 58 Leu HD11 . 25093 1 628 . 1 1 58 58 LEU HD12 H 1 0.875 0.000 . 2 . . . . 58 Leu HD12 . 25093 1 629 . 1 1 58 58 LEU HD13 H 1 0.875 0.000 . 2 . . . . 58 Leu HD13 . 25093 1 630 . 1 1 58 58 LEU HD21 H 1 0.834 0.000 . 2 . . . . 58 Leu HD21 . 25093 1 631 . 1 1 58 58 LEU HD22 H 1 0.834 0.000 . 2 . . . . 58 Leu HD22 . 25093 1 632 . 1 1 58 58 LEU HD23 H 1 0.834 0.000 . 2 . . . . 58 Leu HD23 . 25093 1 633 . 1 1 58 58 LEU C C 13 177.209 0.000 . 1 . . . . 58 Leu C . 25093 1 634 . 1 1 58 58 LEU CA C 13 55.881 0.000 . 1 . . . . 58 Leu CA . 25093 1 635 . 1 1 58 58 LEU CB C 13 42.877 0.000 . 1 . . . . 58 Leu CB . 25093 1 636 . 1 1 58 58 LEU CG C 13 27.769 0.000 . 1 . . . . 58 Leu CG . 25093 1 637 . 1 1 58 58 LEU CD1 C 13 25.268 0.000 . 2 . . . . 58 Leu CD1 . 25093 1 638 . 1 1 58 58 LEU CD2 C 13 24.018 0.000 . 2 . . . . 58 Leu CD2 . 25093 1 639 . 1 1 58 58 LEU N N 15 122.884 0.000 . 1 . . . . 58 Leu N . 25093 1 640 . 1 1 59 59 VAL H H 1 8.056 0.000 . 1 . . . . 59 Val H . 25093 1 641 . 1 1 59 59 VAL HA H 1 4.076 0.000 . 1 . . . . 59 Val HA . 25093 1 642 . 1 1 59 59 VAL HB H 1 2.099 0.000 . 1 . . . . 59 Val HB . 25093 1 643 . 1 1 59 59 VAL HG11 H 1 0.922 0.000 . 1 . . . . 59 Val HG11 . 25093 1 644 . 1 1 59 59 VAL HG12 H 1 0.922 0.000 . 1 . . . . 59 Val HG12 . 25093 1 645 . 1 1 59 59 VAL HG13 H 1 0.922 0.000 . 1 . . . . 59 Val HG13 . 25093 1 646 . 1 1 59 59 VAL HG21 H 1 0.922 0.000 . 1 . . . . 59 Val HG21 . 25093 1 647 . 1 1 59 59 VAL HG22 H 1 0.922 0.000 . 1 . . . . 59 Val HG22 . 25093 1 648 . 1 1 59 59 VAL HG23 H 1 0.922 0.000 . 1 . . . . 59 Val HG23 . 25093 1 649 . 1 1 59 59 VAL C C 13 175.806 0.000 . 1 . . . . 59 Val C . 25093 1 650 . 1 1 59 59 VAL CA C 13 63.442 0.000 . 1 . . . . 59 Val CA . 25093 1 651 . 1 1 59 59 VAL CB C 13 33.802 0.000 . 1 . . . . 59 Val CB . 25093 1 652 . 1 1 59 59 VAL CG1 C 13 21.518 0.000 . 2 . . . . 59 Val CG1 . 25093 1 653 . 1 1 59 59 VAL CG2 C 13 22.057 0.000 . 2 . . . . 59 Val CG2 . 25093 1 654 . 1 1 59 59 VAL N N 15 120.713 0.000 . 1 . . . . 59 Val N . 25093 1 655 . 1 1 60 60 ASN H H 1 8.377 0.000 . 1 . . . . 60 Asn H . 25093 1 656 . 1 1 60 60 ASN HA H 1 4.738 0.000 . 1 . . . . 60 Asn HA . 25093 1 657 . 1 1 60 60 ASN HB2 H 1 2.761 0.000 . 2 . . . . 60 Asn HB2 . 25093 1 658 . 1 1 60 60 ASN HB3 H 1 2.793 0.000 . 2 . . . . 60 Asn HB3 . 25093 1 659 . 1 1 60 60 ASN C C 13 174.604 0.000 . 1 . . . . 60 Asn C . 25093 1 660 . 1 1 60 60 ASN CA C 13 53.912 0.000 . 1 . . . . 60 Asn CA . 25093 1 661 . 1 1 60 60 ASN CB C 13 39.828 0.000 . 1 . . . . 60 Asn CB . 25093 1 662 . 1 1 60 60 ASN N N 15 121.880 0.000 . 1 . . . . 60 Asn N . 25093 1 663 . 1 1 61 61 ASP H H 1 8.275 0.000 . 1 . . . . 61 Asp H . 25093 1 664 . 1 1 61 61 ASP HA H 1 4.622 0.000 . 1 . . . . 61 Asp HA . 25093 1 665 . 1 1 61 61 ASP HB2 H 1 2.649 0.000 . 2 . . . . 61 Asp HB2 . 25093 1 666 . 1 1 61 61 ASP HB3 H 1 2.706 0.000 . 2 . . . . 61 Asp HB3 . 25093 1 667 . 1 1 61 61 ASP C C 13 176.282 0.000 . 1 . . . . 61 Asp C . 25093 1 668 . 1 1 61 61 ASP CA C 13 55.275 0.000 . 1 . . . . 61 Asp CA . 25093 1 669 . 1 1 61 61 ASP CB C 13 42.147 0.000 . 1 . . . . 61 Asp CB . 25093 1 670 . 1 1 61 61 ASP N N 15 120.323 0.002 . 1 . . . . 61 Asp N . 25093 1 671 . 1 1 62 62 ILE H H 1 8.232 0.000 . 1 . . . . 62 Ile H . 25093 1 672 . 1 1 62 62 ILE HA H 1 4.242 0.000 . 1 . . . . 62 Ile HA . 25093 1 673 . 1 1 62 62 ILE HB H 1 1.796 0.000 . 1 . . . . 62 Ile HB . 25093 1 674 . 1 1 62 62 ILE HG12 H 1 1.352 0.000 . 2 . . . . 62 Ile HG12 . 25093 1 675 . 1 1 62 62 ILE HG13 H 1 1.322 0.000 . 2 . . . . 62 Ile HG13 . 25093 1 676 . 1 1 62 62 ILE HG21 H 1 1.074 0.000 . 1 . . . . 62 Ile HG21 . 25093 1 677 . 1 1 62 62 ILE HG22 H 1 1.074 0.000 . 1 . . . . 62 Ile HG22 . 25093 1 678 . 1 1 62 62 ILE HG23 H 1 1.074 0.000 . 1 . . . . 62 Ile HG23 . 25093 1 679 . 1 1 62 62 ILE HD11 H 1 0.835 0.000 . 1 . . . . 62 Ile HD11 . 25093 1 680 . 1 1 62 62 ILE HD12 H 1 0.835 0.000 . 1 . . . . 62 Ile HD12 . 25093 1 681 . 1 1 62 62 ILE HD13 H 1 0.835 0.000 . 1 . . . . 62 Ile HD13 . 25093 1 682 . 1 1 62 62 ILE C C 13 176.285 0.000 . 1 . . . . 62 Ile C . 25093 1 683 . 1 1 62 62 ILE CA C 13 61.939 0.000 . 1 . . . . 62 Ile CA . 25093 1 684 . 1 1 62 62 ILE CB C 13 39.447 0.000 . 1 . . . . 62 Ile CB . 25093 1 685 . 1 1 62 62 ILE CG1 C 13 27.769 0.000 . 1 . . . . 62 Ile CG1 . 25093 1 686 . 1 1 62 62 ILE CG2 C 13 18.392 0.000 . 1 . . . . 62 Ile CG2 . 25093 1 687 . 1 1 62 62 ILE CD1 C 13 14.016 0.000 . 1 . . . . 62 Ile CD1 . 25093 1 688 . 1 1 62 62 ILE N N 15 120.509 0.002 . 1 . . . . 62 Ile N . 25093 1 689 . 1 1 63 63 THR H H 1 8.328 0.000 . 1 . . . . 63 Thr H . 25093 1 690 . 1 1 63 63 THR HA H 1 4.563 0.000 . 1 . . . . 63 Thr HA . 25093 1 691 . 1 1 63 63 THR HB H 1 4.210 0.000 . 1 . . . . 63 Thr HB . 25093 1 692 . 1 1 63 63 THR HG21 H 1 1.133 0.000 . 1 . . . . 63 Thr HG2 . 25093 1 693 . 1 1 63 63 THR HG22 H 1 1.133 0.000 . 1 . . . . 63 Thr HG2 . 25093 1 694 . 1 1 63 63 THR HG23 H 1 1.133 0.000 . 1 . . . . 63 Thr HG2 . 25093 1 695 . 1 1 63 63 THR C C 13 172.954 0.000 . 1 . . . . 63 Thr C . 25093 1 696 . 1 1 63 63 THR CA C 13 60.659 0.000 . 1 . . . . 63 Thr CA . 25093 1 697 . 1 1 63 63 THR CB C 13 70.209 0.000 . 1 . . . . 63 Thr CB . 25093 1 698 . 1 1 63 63 THR CG2 C 13 22.518 0.000 . 1 . . . . 63 Thr CG2 . 25093 1 699 . 1 1 63 63 THR N N 15 121.196 0.000 . 1 . . . . 63 Thr N . 25093 1 700 . 1 1 64 64 PRO HA H 1 4.364 0.000 . 1 . . . . 64 Pro HA . 25093 1 701 . 1 1 64 64 PRO HB2 H 1 2.219 0.000 . 2 . . . . 64 Pro HB2 . 25093 1 702 . 1 1 64 64 PRO HB3 H 1 2.279 0.000 . 2 . . . . 64 Pro HB3 . 25093 1 703 . 1 1 64 64 PRO HG2 H 1 1.949 0.000 . 2 . . . . 64 Pro HG2 . 25093 1 704 . 1 1 64 64 PRO HG3 H 1 1.987 0.000 . 2 . . . . 64 Pro HG3 . 25093 1 705 . 1 1 64 64 PRO HD2 H 1 3.788 0.000 . 2 . . . . 64 Pro HD2 . 25093 1 706 . 1 1 64 64 PRO HD3 H 1 3.739 0.000 . 2 . . . . 64 Pro HD3 . 25093 1 707 . 1 1 64 64 PRO C C 13 177.128 0.000 . 1 . . . . 64 Pro C . 25093 1 708 . 1 1 64 64 PRO CA C 13 64.228 0.000 . 1 . . . . 64 Pro CA . 25093 1 709 . 1 1 64 64 PRO CB C 13 33.117 0.000 . 1 . . . . 64 Pro CB . 25093 1 710 . 1 1 64 64 PRO CG C 13 28.394 0.000 . 1 . . . . 64 Pro CG . 25093 1 711 . 1 1 64 64 PRO CD C 13 51.524 0.000 . 1 . . . . 64 Pro CD . 25093 1 712 . 1 1 65 65 GLU H H 1 8.544 0.000 . 1 . . . . 65 Glu H . 25093 1 713 . 1 1 65 65 GLU HA H 1 4.174 0.000 . 1 . . . . 65 Glu HA . 25093 1 714 . 1 1 65 65 GLU HB2 H 1 2.171 0.000 . 2 . . . . 65 Glu HB2 . 25093 1 715 . 1 1 65 65 GLU HB3 H 1 1.984 0.000 . 2 . . . . 65 Glu HB3 . 25093 1 716 . 1 1 65 65 GLU HG2 H 1 2.260 0.000 . 2 . . . . 65 Glu HG2 . 25093 1 717 . 1 1 65 65 GLU HG3 H 1 2.231 0.000 . 2 . . . . 65 Glu HG3 . 25093 1 718 . 1 1 65 65 GLU C C 13 176.352 0.000 . 1 . . . . 65 Glu C . 25093 1 719 . 1 1 65 65 GLU CA C 13 58.092 0.000 . 1 . . . . 65 Glu CA . 25093 1 720 . 1 1 65 65 GLU CB C 13 30.761 0.000 . 1 . . . . 65 Glu CB . 25093 1 721 . 1 1 65 65 GLU CG C 13 37.146 0.000 . 1 . . . . 65 Glu CG . 25093 1 722 . 1 1 65 65 GLU N N 15 120.355 0.000 . 1 . . . . 65 Glu N . 25093 1 723 . 1 1 66 66 ASN H H 1 8.352 0.000 . 1 . . . . 66 Asn H . 25093 1 724 . 1 1 66 66 ASN HA H 1 4.664 0.000 . 1 . . . . 66 Asn HA . 25093 1 725 . 1 1 66 66 ASN HB2 H 1 2.760 0.000 . 2 . . . . 66 Asn HB2 . 25093 1 726 . 1 1 66 66 ASN HB3 H 1 2.785 0.000 . 2 . . . . 66 Asn HB3 . 25093 1 727 . 1 1 66 66 ASN C C 13 175.081 0.000 . 1 . . . . 66 Asn C . 25093 1 728 . 1 1 66 66 ASN CA C 13 53.830 0.000 . 1 . . . . 66 Asn CA . 25093 1 729 . 1 1 66 66 ASN CB C 13 39.442 0.000 . 1 . . . . 66 Asn CB . 25093 1 730 . 1 1 66 66 ASN N N 15 118.978 0.000 . 1 . . . . 66 Asn N . 25093 1 731 . 1 1 67 67 LEU H H 1 8.088 0.000 . 1 . . . . 67 Leu H . 25093 1 732 . 1 1 67 67 LEU HA H 1 4.257 0.000 . 1 . . . . 67 Leu HA . 25093 1 733 . 1 1 67 67 LEU HB2 H 1 1.508 0.000 . 1 . . . . 67 Leu HB2 . 25093 1 734 . 1 1 67 67 LEU HB3 H 1 1.508 0.000 . 1 . . . . 67 Leu HB3 . 25093 1 735 . 1 1 67 67 LEU HG H 1 1.471 0.000 . 1 . . . . 67 Leu HG . 25093 1 736 . 1 1 67 67 LEU HD11 H 1 0.838 0.000 . 1 . . . . 67 Leu HD11 . 25093 1 737 . 1 1 67 67 LEU HD12 H 1 0.838 0.000 . 1 . . . . 67 Leu HD12 . 25093 1 738 . 1 1 67 67 LEU HD13 H 1 0.838 0.000 . 1 . . . . 67 Leu HD13 . 25093 1 739 . 1 1 67 67 LEU HD21 H 1 0.838 0.000 . 1 . . . . 67 Leu HD21 . 25093 1 740 . 1 1 67 67 LEU HD22 H 1 0.838 0.000 . 1 . . . . 67 Leu HD22 . 25093 1 741 . 1 1 67 67 LEU HD23 H 1 0.838 0.000 . 1 . . . . 67 Leu HD23 . 25093 1 742 . 1 1 67 67 LEU C C 13 177.171 0.000 . 1 . . . . 67 Leu C . 25093 1 743 . 1 1 67 67 LEU CA C 13 56.263 0.000 . 1 . . . . 67 Leu CA . 25093 1 744 . 1 1 67 67 LEU CB C 13 42.973 0.000 . 1 . . . . 67 Leu CB . 25093 1 745 . 1 1 67 67 LEU CG C 13 27.690 0.000 . 1 . . . . 67 Leu CG . 25093 1 746 . 1 1 67 67 LEU CD1 C 13 25.831 0.000 . 2 . . . . 67 Leu CD1 . 25093 1 747 . 1 1 67 67 LEU CD2 C 13 24.093 0.000 . 2 . . . . 67 Leu CD2 . 25093 1 748 . 1 1 67 67 LEU N N 15 122.289 0.000 . 1 . . . . 67 Leu N . 25093 1 749 . 1 1 68 68 HIS H H 1 8.330 0.000 . 1 . . . . 68 His H . 25093 1 750 . 1 1 68 68 HIS C C 13 174.765 0.000 . 1 . . . . 68 His C . 25093 1 751 . 1 1 68 68 HIS CA C 13 55.025 0.000 . 1 . . . . 68 His CA . 25093 1 752 . 1 1 68 68 HIS CB C 13 30.695 0.000 . 1 . . . . 68 His CB . 25093 1 753 . 1 1 68 68 HIS N N 15 118.791 0.002 . 1 . . . . 68 His N . 25093 1 754 . 1 1 69 69 GLU H H 1 8.308 0.000 . 1 . . . . 69 Glu H . 25093 1 755 . 1 1 69 69 GLU HA H 1 4.247 0.000 . 1 . . . . 69 Glu HA . 25093 1 756 . 1 1 69 69 GLU HB2 H 1 2.191 0.000 . 2 . . . . 69 Glu HB2 . 25093 1 757 . 1 1 69 69 GLU HB3 H 1 1.887 0.000 . 2 . . . . 69 Glu HB3 . 25093 1 758 . 1 1 69 69 GLU HG2 H 1 2.161 0.000 . 2 . . . . 69 Glu HG2 . 25093 1 759 . 1 1 69 69 GLU HG3 H 1 2.167 0.000 . 2 . . . . 69 Glu HG3 . 25093 1 760 . 1 1 69 69 GLU C C 13 175.986 0.000 . 1 . . . . 69 Glu C . 25093 1 761 . 1 1 69 69 GLU CA C 13 57.324 0.000 . 1 . . . . 69 Glu CA . 25093 1 762 . 1 1 69 69 GLU CB C 13 31.199 0.000 . 1 . . . . 69 Glu CB . 25093 1 763 . 1 1 69 69 GLU CG C 13 37.146 0.000 . 1 . . . . 69 Glu CG . 25093 1 764 . 1 1 69 69 GLU N N 15 120.892 0.002 . 1 . . . . 69 Glu N . 25093 1 765 . 1 1 70 70 ASN H H 1 8.512 0.000 . 1 . . . . 70 Asn H . 25093 1 766 . 1 1 70 70 ASN HA H 1 4.671 0.000 . 1 . . . . 70 Asn HA . 25093 1 767 . 1 1 70 70 ASN HB2 H 1 2.711 0.000 . 1 . . . . 70 Asn HB2 . 25093 1 768 . 1 1 70 70 ASN HB3 H 1 2.711 0.000 . 1 . . . . 70 Asn HB3 . 25093 1 769 . 1 1 70 70 ASN C C 13 174.897 0.000 . 1 . . . . 70 Asn C . 25093 1 770 . 1 1 70 70 ASN CA C 13 53.932 0.000 . 1 . . . . 70 Asn CA . 25093 1 771 . 1 1 70 70 ASN CB C 13 39.187 0.000 . 1 . . . . 70 Asn CB . 25093 1 772 . 1 1 70 70 ASN N N 15 119.883 0.000 . 1 . . . . 70 Asn N . 25093 1 773 . 1 1 71 71 ILE H H 1 8.015 0.000 . 1 . . . . 71 Ile H . 25093 1 774 . 1 1 71 71 ILE HA H 1 4.027 0.000 . 1 . . . . 71 Ile HA . 25093 1 775 . 1 1 71 71 ILE HB H 1 1.687 0.000 . 1 . . . . 71 Ile HB . 25093 1 776 . 1 1 71 71 ILE HG12 H 1 1.294 0.000 . 2 . . . . 71 Ile HG12 . 25093 1 777 . 1 1 71 71 ILE HG13 H 1 1.129 0.000 . 2 . . . . 71 Ile HG13 . 25093 1 778 . 1 1 71 71 ILE HG21 H 1 0.539 0.000 . 1 . . . . 71 Ile HG21 . 25093 1 779 . 1 1 71 71 ILE HG22 H 1 0.539 0.000 . 1 . . . . 71 Ile HG22 . 25093 1 780 . 1 1 71 71 ILE HG23 H 1 0.539 0.000 . 1 . . . . 71 Ile HG23 . 25093 1 781 . 1 1 71 71 ILE HD11 H 1 0.960 0.000 . 1 . . . . 71 Ile HD11 . 25093 1 782 . 1 1 71 71 ILE HD12 H 1 0.960 0.000 . 1 . . . . 71 Ile HD12 . 25093 1 783 . 1 1 71 71 ILE HD13 H 1 0.960 0.000 . 1 . . . . 71 Ile HD13 . 25093 1 784 . 1 1 71 71 ILE C C 13 175.457 0.000 . 1 . . . . 71 Ile C . 25093 1 785 . 1 1 71 71 ILE CA C 13 61.842 0.000 . 1 . . . . 71 Ile CA . 25093 1 786 . 1 1 71 71 ILE CB C 13 39.817 0.000 . 1 . . . . 71 Ile CB . 25093 1 787 . 1 1 71 71 ILE CG1 C 13 27.769 0.000 . 1 . . . . 71 Ile CG1 . 25093 1 788 . 1 1 71 71 ILE CG2 C 13 17.767 0.000 . 1 . . . . 71 Ile CG2 . 25093 1 789 . 1 1 71 71 ILE CD1 C 13 14.016 0.000 . 1 . . . . 71 Ile CD1 . 25093 1 790 . 1 1 71 71 ILE N N 15 121.195 0.000 . 1 . . . . 71 Ile N . 25093 1 791 . 1 1 72 72 ASP H H 1 8.264 0.000 . 1 . . . . 72 Asp H . 25093 1 792 . 1 1 72 72 ASP HA H 1 4.611 0.000 . 1 . . . . 72 Asp HA . 25093 1 793 . 1 1 72 72 ASP HB2 H 1 2.595 0.000 . 2 . . . . 72 Asp HB2 . 25093 1 794 . 1 1 72 72 ASP HB3 H 1 2.674 0.000 . 2 . . . . 72 Asp HB3 . 25093 1 795 . 1 1 72 72 ASP C C 13 175.880 0.000 . 1 . . . . 72 Asp C . 25093 1 796 . 1 1 72 72 ASP CA C 13 54.445 0.000 . 1 . . . . 72 Asp CA . 25093 1 797 . 1 1 72 72 ASP CB C 13 41.522 0.000 . 1 . . . . 72 Asp CB . 25093 1 798 . 1 1 72 72 ASP N N 15 123.905 0.000 . 1 . . . . 72 Asp N . 25093 1 799 . 1 1 73 73 TRP H H 1 8.130 0.000 . 1 . . . . 73 Trp H . 25093 1 800 . 1 1 73 73 TRP HA H 1 4.514 0.000 . 1 . . . . 73 Trp HA . 25093 1 801 . 1 1 73 73 TRP HB2 H 1 3.278 0.000 . 1 . . . . 73 Trp HB2 . 25093 1 802 . 1 1 73 73 TRP HB3 H 1 3.278 0.000 . 1 . . . . 73 Trp HB3 . 25093 1 803 . 1 1 73 73 TRP HD1 H 1 7.237 0.000 . 1 . . . . 73 Trp HD1 . 25093 1 804 . 1 1 73 73 TRP HE3 H 1 7.611 0.000 . 1 . . . . 73 Trp HE3 . 25093 1 805 . 1 1 73 73 TRP C C 13 176.627 0.000 . 1 . . . . 73 Trp C . 25093 1 806 . 1 1 73 73 TRP CA C 13 58.058 0.000 . 1 . . . . 73 Trp CA . 25093 1 807 . 1 1 73 73 TRP CB C 13 30.487 0.000 . 1 . . . . 73 Trp CB . 25093 1 808 . 1 1 73 73 TRP N N 15 122.875 0.002 . 1 . . . . 73 Trp N . 25093 1 809 . 1 1 74 74 GLY H H 1 8.267 0.000 . 1 . . . . 74 Gly H . 25093 1 810 . 1 1 74 74 GLY HA2 H 1 3.852 0.000 . 1 . . . . 74 Gly HA2 . 25093 1 811 . 1 1 74 74 GLY HA3 H 1 3.852 0.000 . 1 . . . . 74 Gly HA3 . 25093 1 812 . 1 1 74 74 GLY C C 13 173.528 0.000 . 1 . . . . 74 Gly C . 25093 1 813 . 1 1 74 74 GLY CA C 13 45.876 0.000 . 1 . . . . 74 Gly CA . 25093 1 814 . 1 1 74 74 GLY N N 15 109.863 0.000 . 1 . . . . 74 Gly N . 25093 1 815 . 1 1 75 75 GLU H H 1 8.125 0.000 . 1 . . . . 75 Glu H . 25093 1 816 . 1 1 75 75 GLU HA H 1 4.517 0.000 . 1 . . . . 75 Glu HA . 25093 1 817 . 1 1 75 75 GLU HB2 H 1 1.878 0.000 . 1 . . . . 75 Glu HB2 . 25093 1 818 . 1 1 75 75 GLU HB3 H 1 1.878 0.000 . 1 . . . . 75 Glu HB3 . 25093 1 819 . 1 1 75 75 GLU HG2 H 1 2.259 0.000 . 1 . . . . 75 Glu HG2 . 25093 1 820 . 1 1 75 75 GLU HG3 H 1 2.259 0.000 . 1 . . . . 75 Glu HG3 . 25093 1 821 . 1 1 75 75 GLU C C 13 174.611 0.000 . 1 . . . . 75 Glu C . 25093 1 822 . 1 1 75 75 GLU CA C 13 54.905 0.000 . 1 . . . . 75 Glu CA . 25093 1 823 . 1 1 75 75 GLU CB C 13 30.577 0.000 . 1 . . . . 75 Glu CB . 25093 1 824 . 1 1 75 75 GLU CG C 13 36.736 0.000 . 1 . . . . 75 Glu CG . 25093 1 825 . 1 1 75 75 GLU N N 15 121.722 0.000 . 1 . . . . 75 Glu N . 25093 1 826 . 1 1 76 76 PRO HA H 1 4.386 0.000 . 1 . . . . 76 Pro HA . 25093 1 827 . 1 1 76 76 PRO HB2 H 1 2.312 0.000 . 2 . . . . 76 Pro HB2 . 25093 1 828 . 1 1 76 76 PRO HB3 H 1 1.893 0.000 . 2 . . . . 76 Pro HB3 . 25093 1 829 . 1 1 76 76 PRO HG2 H 1 1.961 0.000 . 2 . . . . 76 Pro HG2 . 25093 1 830 . 1 1 76 76 PRO HG3 H 1 1.984 0.000 . 2 . . . . 76 Pro HG3 . 25093 1 831 . 1 1 76 76 PRO HD2 H 1 3.746 0.000 . 2 . . . . 76 Pro HD2 . 25093 1 832 . 1 1 76 76 PRO HD3 H 1 3.740 0.000 . 2 . . . . 76 Pro HD3 . 25093 1 833 . 1 1 76 76 PRO C C 13 177.108 0.000 . 1 . . . . 76 Pro C . 25093 1 834 . 1 1 76 76 PRO CA C 13 64.282 0.000 . 1 . . . . 76 Pro CA . 25093 1 835 . 1 1 76 76 PRO CB C 13 32.478 0.000 . 1 . . . . 76 Pro CB . 25093 1 836 . 1 1 76 76 PRO CG C 13 28.394 0.000 . 1 . . . . 76 Pro CG . 25093 1 837 . 1 1 76 76 PRO CD C 13 51.524 0.000 . 1 . . . . 76 Pro CD . 25093 1 838 . 1 1 77 77 LYS H H 1 8.460 0.000 . 1 . . . . 77 Lys H . 25093 1 839 . 1 1 77 77 LYS HA H 1 4.307 0.000 . 1 . . . . 77 Lys HA . 25093 1 840 . 1 1 77 77 LYS HB2 H 1 1.585 0.000 . 2 . . . . 77 Lys HB2 . 25093 1 841 . 1 1 77 77 LYS HB3 H 1 1.697 0.000 . 2 . . . . 77 Lys HB3 . 25093 1 842 . 1 1 77 77 LYS HG2 H 1 1.438 0.000 . 2 . . . . 77 Lys HG2 . 25093 1 843 . 1 1 77 77 LYS HG3 H 1 1.417 0.000 . 2 . . . . 77 Lys HG3 . 25093 1 844 . 1 1 77 77 LYS HD2 H 1 1.732 0.000 . 2 . . . . 77 Lys HD2 . 25093 1 845 . 1 1 77 77 LYS HD3 H 1 1.613 0.000 . 2 . . . . 77 Lys HD3 . 25093 1 846 . 1 1 77 77 LYS HE2 H 1 3.099 0.000 . 2 . . . . 77 Lys HE2 . 25093 1 847 . 1 1 77 77 LYS HE3 H 1 2.915 0.000 . 2 . . . . 77 Lys HE3 . 25093 1 848 . 1 1 77 77 LYS C C 13 176.451 0.000 . 1 . . . . 77 Lys C . 25093 1 849 . 1 1 77 77 LYS CA C 13 57.067 0.000 . 1 . . . . 77 Lys CA . 25093 1 850 . 1 1 77 77 LYS CB C 13 33.726 0.000 . 1 . . . . 77 Lys CB . 25093 1 851 . 1 1 77 77 LYS CG C 13 25.268 0.000 . 1 . . . . 77 Lys CG . 25093 1 852 . 1 1 77 77 LYS CD C 13 30.269 0.000 . 1 . . . . 77 Lys CD . 25093 1 853 . 1 1 77 77 LYS CE C 13 42.772 0.000 . 1 . . . . 77 Lys CE . 25093 1 854 . 1 1 77 77 LYS N N 15 121.579 0.000 . 1 . . . . 77 Lys N . 25093 1 855 . 1 1 78 78 ASP H H 1 8.234 0.000 . 1 . . . . 78 Asp H . 25093 1 856 . 1 1 78 78 ASP HA H 1 4.566 0.000 . 1 . . . . 78 Asp HA . 25093 1 857 . 1 1 78 78 ASP HB2 H 1 2.658 0.000 . 2 . . . . 78 Asp HB2 . 25093 1 858 . 1 1 78 78 ASP HB3 H 1 2.579 0.000 . 2 . . . . 78 Asp HB3 . 25093 1 859 . 1 1 78 78 ASP C C 13 175.859 0.000 . 1 . . . . 78 Asp C . 25093 1 860 . 1 1 78 78 ASP CA C 13 57.144 0.000 . 1 . . . . 78 Asp CA . 25093 1 861 . 1 1 78 78 ASP CB C 13 41.720 0.000 . 1 . . . . 78 Asp CB . 25093 1 862 . 1 1 78 78 ASP N N 15 120.069 0.000 . 1 . . . . 78 Asp N . 25093 1 863 . 1 1 79 79 LYS H H 1 8.106 0.000 . 1 . . . . 79 Lys H . 25093 1 864 . 1 1 79 79 LYS HA H 1 4.226 0.000 . 1 . . . . 79 Lys HA . 25093 1 865 . 1 1 79 79 LYS HB2 H 1 1.675 0.000 . 2 . . . . 79 Lys HB2 . 25093 1 866 . 1 1 79 79 LYS HB3 H 1 1.623 0.000 . 2 . . . . 79 Lys HB3 . 25093 1 867 . 1 1 79 79 LYS HG2 H 1 1.362 0.000 . 2 . . . . 79 Lys HG2 . 25093 1 868 . 1 1 79 79 LYS HG3 H 1 1.374 0.000 . 2 . . . . 79 Lys HG3 . 25093 1 869 . 1 1 79 79 LYS HD2 H 1 1.861 0.000 . 1 . . . . 79 Lys HD2 . 25093 1 870 . 1 1 79 79 LYS HD3 H 1 1.861 0.000 . 1 . . . . 79 Lys HD3 . 25093 1 871 . 1 1 79 79 LYS HE2 H 1 2.937 0.000 . 2 . . . . 79 Lys HE2 . 25093 1 872 . 1 1 79 79 LYS HE3 H 1 2.910 0.000 . 2 . . . . 79 Lys HE3 . 25093 1 873 . 1 1 79 79 LYS C C 13 176.280 0.000 . 1 . . . . 79 Lys C . 25093 1 874 . 1 1 79 79 LYS CA C 13 57.218 0.000 . 1 . . . . 79 Lys CA . 25093 1 875 . 1 1 79 79 LYS CB C 13 33.841 0.000 . 1 . . . . 79 Lys CB . 25093 1 876 . 1 1 79 79 LYS CG C 13 25.894 0.000 . 1 . . . . 79 Lys CG . 25093 1 877 . 1 1 79 79 LYS CD C 13 29.394 0.000 . 1 . . . . 79 Lys CD . 25093 1 878 . 1 1 79 79 LYS CE C 13 42.772 0.000 . 1 . . . . 79 Lys CE . 25093 1 879 . 1 1 79 79 LYS N N 15 120.679 0.000 . 1 . . . . 79 Lys N . 25093 1 880 . 1 1 80 80 GLU H H 1 8.423 0.000 . 1 . . . . 80 Glu H . 25093 1 881 . 1 1 80 80 GLU HA H 1 4.208 0.000 . 1 . . . . 80 Glu HA . 25093 1 882 . 1 1 80 80 GLU HB2 H 1 2.187 0.000 . 2 . . . . 80 Glu HB2 . 25093 1 883 . 1 1 80 80 GLU HB3 H 1 1.935 0.000 . 2 . . . . 80 Glu HB3 . 25093 1 884 . 1 1 80 80 GLU HG2 H 1 2.151 0.000 . 2 . . . . 80 Glu HG2 . 25093 1 885 . 1 1 80 80 GLU HG3 H 1 2.179 0.000 . 2 . . . . 80 Glu HG3 . 25093 1 886 . 1 1 80 80 GLU C C 13 175.885 0.000 . 1 . . . . 80 Glu C . 25093 1 887 . 1 1 80 80 GLU CA C 13 57.370 0.000 . 1 . . . . 80 Glu CA . 25093 1 888 . 1 1 80 80 GLU CB C 13 31.049 0.000 . 1 . . . . 80 Glu CB . 25093 1 889 . 1 1 80 80 GLU CG C 13 37.146 0.000 . 1 . . . . 80 Glu CG . 25093 1 890 . 1 1 80 80 GLU N N 15 122.215 0.000 . 1 . . . . 80 Glu N . 25093 1 891 . 1 1 81 81 VAL H H 1 7.902 0.000 . 1 . . . . 81 Val H . 25093 1 892 . 1 1 81 81 VAL HA H 1 4.071 0.000 . 1 . . . . 81 Val HA . 25093 1 893 . 1 1 81 81 VAL HB H 1 1.956 0.000 . 1 . . . . 81 Val HB . 25093 1 894 . 1 1 81 81 VAL HG11 H 1 0.820 0.000 . 2 . . . . 81 Val HG11 . 25093 1 895 . 1 1 81 81 VAL HG12 H 1 0.820 0.000 . 2 . . . . 81 Val HG12 . 25093 1 896 . 1 1 81 81 VAL HG13 H 1 0.820 0.000 . 2 . . . . 81 Val HG13 . 25093 1 897 . 1 1 81 81 VAL HG21 H 1 0.793 0.000 . 2 . . . . 81 Val HG21 . 25093 1 898 . 1 1 81 81 VAL HG22 H 1 0.793 0.000 . 2 . . . . 81 Val HG22 . 25093 1 899 . 1 1 81 81 VAL HG23 H 1 0.793 0.000 . 2 . . . . 81 Val HG23 . 25093 1 900 . 1 1 81 81 VAL C C 13 174.644 0.000 . 1 . . . . 81 Val C . 25093 1 901 . 1 1 81 81 VAL CA C 13 62.592 0.000 . 1 . . . . 81 Val CA . 25093 1 902 . 1 1 81 81 VAL CB C 13 33.886 0.000 . 1 . . . . 81 Val CB . 25093 1 903 . 1 1 81 81 VAL CG1 C 13 21.518 0.000 . 2 . . . . 81 Val CG1 . 25093 1 904 . 1 1 81 81 VAL CG2 C 13 20.842 0.000 . 2 . . . . 81 Val CG2 . 25093 1 905 . 1 1 81 81 VAL N N 15 120.348 0.000 . 1 . . . . 81 Val N . 25093 1 906 . 1 1 82 82 TRP H H 1 7.741 0.000 . 1 . . . . 82 Trp H . 25093 1 907 . 1 1 82 82 TRP HA H 1 4.502 0.000 . 1 . . . . 82 Trp HA . 25093 1 908 . 1 1 82 82 TRP HD1 H 1 7.146 0.000 . 1 . . . . 82 Trp HD1 . 25093 1 909 . 1 1 82 82 TRP HE3 H 1 7.641 0.000 . 1 . . . . 82 Trp HE3 . 25093 1 910 . 1 1 82 82 TRP C C 13 180.875 0.000 . 1 . . . . 82 Trp C . 25093 1 911 . 1 1 82 82 TRP CA C 13 59.171 0.000 . 1 . . . . 82 Trp CA . 25093 1 912 . 1 1 82 82 TRP CB C 13 31.198 0.000 . 1 . . . . 82 Trp CB . 25093 1 913 . 1 1 82 82 TRP N N 15 130.074 0.000 . 1 . . . . 82 Trp N . 25093 1 stop_ save_