data_16066 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16066 _Entry.Title ; Structure of E. coli toxin RelE(R81A/R83A) mutant in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'There is a related deposition of this protein in complex with a antitoxin peptide.' _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 Guang-Yao Li . . . 16066 2 Yonglong Zhang . . . 16066 3 Masayori Inouye . . . 16066 4 Mitsuhiko Ikura . . . 16066 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16066 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Ikura group; OCI' . 16066 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RelE . 16066 Toxin . 16066 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16066 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 16066 '15N chemical shifts' 94 16066 '1H chemical shifts' 726 16066 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 2 . . 2009-05-18 2008-12-17 update BMRB 'complete entry citation' 16066 1 . . 2009-04-22 2008-12-17 original author 'original release' 16066 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16065 'RelE:RelBc complex' 16066 BMRB 16067 RelBc 16066 PDB 2KC9 'BMRB Entry Tracking System' 16066 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16066 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19297318 _Citation.Full_citation . _Citation.Title ; Inhibitory mechanism of E. coli RelE/RelB toxin/antitoxin module involves a helix displacement near a mRNA interferase active site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 284 _Citation.Journal_issue 21 _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 14628 _Citation.Page_last 14636 _Citation.Year 2009 _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 Guang-Yao Li . . . 16066 1 2 Yonglong Zhang . . . 16066 1 3 Masayori Inouye . . . 16066 1 4 Mitsuhiko Ikura . . . 16066 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mRNA interferase' 16066 1 RelE 16066 1 Toxin 16066 1 'translation inhibitor' 16066 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16066 _Assembly.ID 1 _Assembly.Name RelE _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11336.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'E. coli Toxin RelE (R81A/R83A) mutant' _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 'chain A' 1 $RelE_toxin A . yes native no no . Toxin 'It is a monomer protein in solution.' 16066 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 BMRB 16065 . . 'solution NMR' . 'Chemical shifts of the RelE toxin in the antitoxin peptide bound state.' . 16066 1 yes BMRB 16067 . . 'solution NMR' . 'Chemical shifts of RelBc, a C-terminal peptide of antitoxin RelB, which interacts to RelE toxin.' . 16066 1 yes PDB 2KC8 . . 'solution NMR' . 'Structure of the RelE toxin in the antitoxin peptide bound state.' . 16066 1 yes PDB 2KC9 . . 'solution NMR' . 'Structure of the RelE toxin in the free state.' . 16066 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'This is a low toxicity mutant of toxin RelE, which cleaves mRNA at the ribosomal A-site.' 16066 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RelE_toxin _Entity.Sf_category entity _Entity.Sf_framecode RelE_toxin _Entity.Entry_ID 16066 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RelE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMAYFLDFDERALKEWRK LGSTVREQLKKKLVEVLESP RIEANKLRGMPDCYKIKLRS SGYRLVYQVIDEKVVVFVIS VGKAEASEVYSEAVKRIL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native cloning artifact from the affinity tag.' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'R81A; R83A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11336.2 _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 16065 . RelE . . . . . 100.00 98 100.00 100.00 3.74e-62 . . . . 16066 1 2 no PDB 2KC8 . "Structure Of E. Coli Toxin Rele (R81aR83A) MUTANT IN Complex With Antitoxin Relbc (K47-L79) Peptide" . . . . . 100.00 98 100.00 100.00 3.74e-62 . . . . 16066 1 3 no PDB 2KC9 . "Structure Of E. Coli Toxin Rele (R81aR83A) MUTANT IN THE Free State" . . . . . 100.00 98 100.00 100.00 3.74e-62 . . . . 16066 1 4 no PDB 3KIQ . "Structure Of Rele Nuclease Bound To The 70s Ribosome (Precleavage State; Part 1 Of 4)" . . . . . 96.94 95 97.89 97.89 3.30e-57 . . . . 16066 1 5 no PDB 3KIS . "Structure Of Rele Nuclease Bound To The 70s Ribosome (Precleavage State; Part 3 Of 4)" . . . . . 96.94 95 97.89 97.89 3.30e-57 . . . . 16066 1 6 no PDB 3KIU . "Structure Of Rele Nuclease Bound To The 70s Ribosome (Postcleavage State; Part 1 Of 4)" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 7 no PDB 3KIX . "Structure Of Rele Nuclease Bound To The 70s Ribosome (Postcleavage State; Part 3 Of 4)" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 8 no PDB 4FXE . "Crystal Structure Of The Intact E. Coli Relbe Toxin-Antitoxin Complex" . . . . . 96.94 95 98.95 98.95 4.17e-58 . . . . 16066 1 9 no PDB 4FXH . "Crystal Structure Of The Isolated E. Coli Rele Toxin, P212121 Form" . . . . . 96.94 95 97.89 97.89 1.32e-56 . . . . 16066 1 10 no PDB 4FXI . "Crystal Structure Of The Isolated E. Coli Rele Toxin, P21 Form" . . . . . 96.94 95 97.89 97.89 1.32e-56 . . . . 16066 1 11 no DBJ BAA15262 . "toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli str. K12 substr. W3110]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 12 no DBJ BAI25452 . "toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli O26:H11 str. 11368]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 13 no DBJ BAJ43363 . "Qin prophage; toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli DH1]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 14 no EMBL CAA26251 . "unnamed protein product [Escherichia coli]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 15 no EMBL CBG34537 . "toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli 042]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 16 no EMBL CCF87938 . "putative uncharacterized protein relE [Salmonella enterica subsp. enterica serovar Senftenberg str. SS209]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 17 no EMBL CDJ71963 . "Qin prophage; toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli str. K-12 substr. MC4100]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 18 no EMBL CDP71409 . "Putative uncharacterized protein relE [Escherichia coli]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 19 no GB AAC74636 . "Qin prophage; toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 20 no GB AAN43137 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 21 no GB AAP17028 . "hypothetical protein S1669 [Shigella flexneri 2a str. 2457T]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 22 no GB AAS76442 . "hypothetical protein SCH_166 [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 23 no GB ABQ02944 . "relE [Klebsiella pneumoniae]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 24 no REF NP_416081 . "Qin prophage; toxin of the RelE-RelB toxin-antitoxin system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 25 no REF NP_707430 . "hypothetical protein SF1548 [Shigella flexneri 2a str. 301]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 26 no REF WP_000323024 . "hypothetical protein [Escherichia coli]" . . . . . 63.27 77 100.00 100.00 1.19e-35 . . . . 16066 1 27 no REF WP_000323025 . "MULTISPECIES: mRNA interferase RelE [Proteobacteria]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 28 no REF WP_001513653 . "MULTISPECIES: mRNA interferase RelE domain protein [Enterobacteriaceae]" . . . . . 54.08 64 98.11 100.00 3.75e-29 . . . . 16066 1 29 no SP P0C077 . "RecName: Full=mRNA interferase RelE; AltName: Full=Endoribonuclease RelE; AltName: Full=Toxin RelE" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 30 no SP P0C078 . "RecName: Full=mRNA interferase RelE; AltName: Full=Endoribonuclease RelE; AltName: Full=Toxin RelE" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16066 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Toxin 16066 1 'Transcriptional cofactor' 16066 1 'translation inhibitor' 16066 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 -2 GLY . 16066 1 2 -1 SER . 16066 1 3 0 HIS . 16066 1 4 1 MET . 16066 1 5 2 ALA . 16066 1 6 3 TYR . 16066 1 7 4 PHE . 16066 1 8 5 LEU . 16066 1 9 6 ASP . 16066 1 10 7 PHE . 16066 1 11 8 ASP . 16066 1 12 9 GLU . 16066 1 13 10 ARG . 16066 1 14 11 ALA . 16066 1 15 12 LEU . 16066 1 16 13 LYS . 16066 1 17 14 GLU . 16066 1 18 15 TRP . 16066 1 19 16 ARG . 16066 1 20 17 LYS . 16066 1 21 18 LEU . 16066 1 22 19 GLY . 16066 1 23 20 SER . 16066 1 24 21 THR . 16066 1 25 22 VAL . 16066 1 26 23 ARG . 16066 1 27 24 GLU . 16066 1 28 25 GLN . 16066 1 29 26 LEU . 16066 1 30 27 LYS . 16066 1 31 28 LYS . 16066 1 32 29 LYS . 16066 1 33 30 LEU . 16066 1 34 31 VAL . 16066 1 35 32 GLU . 16066 1 36 33 VAL . 16066 1 37 34 LEU . 16066 1 38 35 GLU . 16066 1 39 36 SER . 16066 1 40 37 PRO . 16066 1 41 38 ARG . 16066 1 42 39 ILE . 16066 1 43 40 GLU . 16066 1 44 41 ALA . 16066 1 45 42 ASN . 16066 1 46 43 LYS . 16066 1 47 44 LEU . 16066 1 48 45 ARG . 16066 1 49 46 GLY . 16066 1 50 47 MET . 16066 1 51 48 PRO . 16066 1 52 49 ASP . 16066 1 53 50 CYS . 16066 1 54 51 TYR . 16066 1 55 52 LYS . 16066 1 56 53 ILE . 16066 1 57 54 LYS . 16066 1 58 55 LEU . 16066 1 59 56 ARG . 16066 1 60 57 SER . 16066 1 61 58 SER . 16066 1 62 59 GLY . 16066 1 63 60 TYR . 16066 1 64 61 ARG . 16066 1 65 62 LEU . 16066 1 66 63 VAL . 16066 1 67 64 TYR . 16066 1 68 65 GLN . 16066 1 69 66 VAL . 16066 1 70 67 ILE . 16066 1 71 68 ASP . 16066 1 72 69 GLU . 16066 1 73 70 LYS . 16066 1 74 71 VAL . 16066 1 75 72 VAL . 16066 1 76 73 VAL . 16066 1 77 74 PHE . 16066 1 78 75 VAL . 16066 1 79 76 ILE . 16066 1 80 77 SER . 16066 1 81 78 VAL . 16066 1 82 79 GLY . 16066 1 83 80 LYS . 16066 1 84 81 ALA . 16066 1 85 82 GLU . 16066 1 86 83 ALA . 16066 1 87 84 SER . 16066 1 88 85 GLU . 16066 1 89 86 VAL . 16066 1 90 87 TYR . 16066 1 91 88 SER . 16066 1 92 89 GLU . 16066 1 93 90 ALA . 16066 1 94 91 VAL . 16066 1 95 92 LYS . 16066 1 96 93 ARG . 16066 1 97 94 ILE . 16066 1 98 95 LEU . 16066 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 . GLY 1 1 16066 1 . SER 2 2 16066 1 . HIS 3 3 16066 1 . MET 4 4 16066 1 . ALA 5 5 16066 1 . TYR 6 6 16066 1 . PHE 7 7 16066 1 . LEU 8 8 16066 1 . ASP 9 9 16066 1 . PHE 10 10 16066 1 . ASP 11 11 16066 1 . GLU 12 12 16066 1 . ARG 13 13 16066 1 . ALA 14 14 16066 1 . LEU 15 15 16066 1 . LYS 16 16 16066 1 . GLU 17 17 16066 1 . TRP 18 18 16066 1 . ARG 19 19 16066 1 . LYS 20 20 16066 1 . LEU 21 21 16066 1 . GLY 22 22 16066 1 . SER 23 23 16066 1 . THR 24 24 16066 1 . VAL 25 25 16066 1 . ARG 26 26 16066 1 . GLU 27 27 16066 1 . GLN 28 28 16066 1 . LEU 29 29 16066 1 . LYS 30 30 16066 1 . LYS 31 31 16066 1 . LYS 32 32 16066 1 . LEU 33 33 16066 1 . VAL 34 34 16066 1 . GLU 35 35 16066 1 . VAL 36 36 16066 1 . LEU 37 37 16066 1 . GLU 38 38 16066 1 . SER 39 39 16066 1 . PRO 40 40 16066 1 . ARG 41 41 16066 1 . ILE 42 42 16066 1 . GLU 43 43 16066 1 . ALA 44 44 16066 1 . ASN 45 45 16066 1 . LYS 46 46 16066 1 . LEU 47 47 16066 1 . ARG 48 48 16066 1 . GLY 49 49 16066 1 . MET 50 50 16066 1 . PRO 51 51 16066 1 . ASP 52 52 16066 1 . CYS 53 53 16066 1 . TYR 54 54 16066 1 . LYS 55 55 16066 1 . ILE 56 56 16066 1 . LYS 57 57 16066 1 . LEU 58 58 16066 1 . ARG 59 59 16066 1 . SER 60 60 16066 1 . SER 61 61 16066 1 . GLY 62 62 16066 1 . TYR 63 63 16066 1 . ARG 64 64 16066 1 . LEU 65 65 16066 1 . VAL 66 66 16066 1 . TYR 67 67 16066 1 . GLN 68 68 16066 1 . VAL 69 69 16066 1 . ILE 70 70 16066 1 . ASP 71 71 16066 1 . GLU 72 72 16066 1 . LYS 73 73 16066 1 . VAL 74 74 16066 1 . VAL 75 75 16066 1 . VAL 76 76 16066 1 . PHE 77 77 16066 1 . VAL 78 78 16066 1 . ILE 79 79 16066 1 . SER 80 80 16066 1 . VAL 81 81 16066 1 . GLY 82 82 16066 1 . LYS 83 83 16066 1 . ALA 84 84 16066 1 . GLU 85 85 16066 1 . ALA 86 86 16066 1 . SER 87 87 16066 1 . GLU 88 88 16066 1 . VAL 89 89 16066 1 . TYR 90 90 16066 1 . SER 91 91 16066 1 . GLU 92 92 16066 1 . ALA 93 93 16066 1 . VAL 94 94 16066 1 . LYS 95 95 16066 1 . ARG 96 96 16066 1 . ILE 97 97 16066 1 . LEU 98 98 16066 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 16066 _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 $RelE_toxin . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16066 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 16066 _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 $RelE_toxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28a . . . 'RelE is expressed with his-tag fusion. The his-tag is removed by thrombin afterward.' . . 16066 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_h2o _Sample.Sf_category sample _Sample.Sf_framecode sample_h2o _Sample.Entry_ID 16066 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 RelE '[U-13C; U-15N]' . . 1 $RelE_toxin . . 0.5 . . mM 0.1 . . . 16066 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 0 . . . 16066 1 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 0 . . . 16066 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16066 1 5 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 16066 1 stop_ save_ save_sample_d2o _Sample.Sf_category sample _Sample.Sf_framecode sample_d2o _Sample.Entry_ID 16066 _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 RelE '[U-13C; U-15N]' . . 1 $RelE_toxin . . 0.5 . . mM 0.1 . . . 16066 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 0 . . . 16066 2 3 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 0 . . . 16066 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16066 2 5 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 16066 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 16066 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'A squared shaped NMR tube was used to facility the NMR measurement in high salt concentration.' 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 'ionic strength' 0.5 0.05 M 16066 1 pH 6.5 0.05 pH 16066 1 pressure 1 . atm 16066 1 temperature 296.5 0.1 K 16066 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16066 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16066 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16066 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16066 _Software.ID 2 _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' . . 16066 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16066 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16066 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16066 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16066 3 'data analysis' 16066 3 'peak picking' 16066 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16066 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16066 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOE peak assignments' 16066 4 'structure solution' 16066 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16066 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16066 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16066 5 'structure solution' 16066 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16066 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16066 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 16066 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16066 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16066 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16066 7 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16066 _Software.ID 8 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16066 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16066 8 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 16066 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16066 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16066 _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 . 500 . . . 16066 1 2 spectrometer_2 Bruker Avance . 800 . . . 16066 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 16066 _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_h2o isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16066 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16066 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16066 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_h2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_d2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_d2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_d2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_d2o isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16066 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 16066 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16066 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16066 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16066 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 16066 _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' . . . 16066 1 5 '3D HNCO' . . . 16066 1 7 '3D 1H-15N NOESY' . . . 16066 1 8 '2D 1H-13C HSQC' . . . 16066 1 11 '3D 1H-13C NOESY' . . . 16066 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 16066 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 4 4 MET H H 1 8.383 0.004 . 1 . . . . 1 MET H . 16066 1 2 . 1 1 4 4 MET HA H 1 4.396 0.001 . 1 . . . . 1 MET HA . 16066 1 3 . 1 1 4 4 MET HB2 H 1 1.934 0.004 . 2 . . . . 1 MET HB2 . 16066 1 4 . 1 1 4 4 MET HB3 H 1 1.918 0.002 . 2 . . . . 1 MET HB3 . 16066 1 5 . 1 1 4 4 MET HE1 H 1 2.03 0.002 . 1 . . . . 1 MET QE . 16066 1 6 . 1 1 4 4 MET HE2 H 1 2.03 0.002 . 1 . . . . 1 MET QE . 16066 1 7 . 1 1 4 4 MET HE3 H 1 2.03 0.002 . 1 . . . . 1 MET QE . 16066 1 8 . 1 1 4 4 MET HG2 H 1 2.469 0.002 . 2 . . . . 1 MET HG2 . 16066 1 9 . 1 1 4 4 MET HG3 H 1 2.418 0.002 . 2 . . . . 1 MET HG3 . 16066 1 10 . 1 1 4 4 MET C C 13 174.622 0 . 1 . . . . 1 MET C . 16066 1 11 . 1 1 4 4 MET CA C 13 55.17 0 . 1 . . . . 1 MET CA . 16066 1 12 . 1 1 4 4 MET CB C 13 33.232 0 . 1 . . . . 1 MET CB . 16066 1 13 . 1 1 4 4 MET CE C 13 16.93 0 . 1 . . . . 1 MET CE . 16066 1 14 . 1 1 4 4 MET CG C 13 31.54 0 . 1 . . . . 1 MET CG . 16066 1 15 . 1 1 4 4 MET N N 15 122.564 0.011 . 1 . . . . 1 MET N . 16066 1 16 . 1 1 5 5 ALA H H 1 8.084 0.003 . 1 . . . . 2 ALA H . 16066 1 17 . 1 1 5 5 ALA HA H 1 4.423 0.002 . 1 . . . . 2 ALA HA . 16066 1 18 . 1 1 5 5 ALA HB1 H 1 1.299 0.001 . 1 . . . . 2 ALA QB . 16066 1 19 . 1 1 5 5 ALA HB2 H 1 1.299 0.001 . 1 . . . . 2 ALA QB . 16066 1 20 . 1 1 5 5 ALA HB3 H 1 1.299 0.001 . 1 . . . . 2 ALA QB . 16066 1 21 . 1 1 5 5 ALA C C 13 176.536 0 . 1 . . . . 2 ALA C . 16066 1 22 . 1 1 5 5 ALA CA C 13 51.634 0 . 1 . . . . 2 ALA CA . 16066 1 23 . 1 1 5 5 ALA CB C 13 19.439 0 . 1 . . . . 2 ALA CB . 16066 1 24 . 1 1 5 5 ALA N N 15 125.284 0.002 . 1 . . . . 2 ALA N . 16066 1 25 . 1 1 6 6 TYR H H 1 8.406 0.002 . 1 . . . . 3 TYR H . 16066 1 26 . 1 1 6 6 TYR HA H 1 4.312 0.004 . 1 . . . . 3 TYR HA . 16066 1 27 . 1 1 6 6 TYR HB2 H 1 2.679 0.002 . 2 . . . . 3 TYR HB2 . 16066 1 28 . 1 1 6 6 TYR HB3 H 1 2.973 0.001 . 2 . . . . 3 TYR HB3 . 16066 1 29 . 1 1 6 6 TYR HD1 H 1 6.652 0 . 3 . . . . 3 TYR QD . 16066 1 30 . 1 1 6 6 TYR HD2 H 1 6.652 0 . 3 . . . . 3 TYR QD . 16066 1 31 . 1 1 6 6 TYR HE1 H 1 6.986 0 . 3 . . . . 3 TYR QE . 16066 1 32 . 1 1 6 6 TYR HE2 H 1 6.986 0 . 3 . . . . 3 TYR QE . 16066 1 33 . 1 1 6 6 TYR C C 13 175.433 0 . 1 . . . . 3 TYR C . 16066 1 34 . 1 1 6 6 TYR CA C 13 57.701 0 . 1 . . . . 3 TYR CA . 16066 1 35 . 1 1 6 6 TYR CB C 13 39.701 0 . 1 . . . . 3 TYR CB . 16066 1 36 . 1 1 6 6 TYR N N 15 120.887 0.009 . 1 . . . . 3 TYR N . 16066 1 37 . 1 1 7 7 PHE H H 1 8.703 0.001 . 1 . . . . 4 PHE H . 16066 1 38 . 1 1 7 7 PHE HA H 1 4.645 0.001 . 1 . . . . 4 PHE HA . 16066 1 39 . 1 1 7 7 PHE HB2 H 1 3.073 0 . 2 . . . . 4 PHE HB2 . 16066 1 40 . 1 1 7 7 PHE HB3 H 1 3.174 0.002 . 2 . . . . 4 PHE HB3 . 16066 1 41 . 1 1 7 7 PHE HD1 H 1 7.018 0 . 3 . . . . 4 PHE QD . 16066 1 42 . 1 1 7 7 PHE HD2 H 1 7.018 0 . 3 . . . . 4 PHE QD . 16066 1 43 . 1 1 7 7 PHE HE1 H 1 7.372 0 . 3 . . . . 4 PHE QE . 16066 1 44 . 1 1 7 7 PHE HE2 H 1 7.372 0 . 3 . . . . 4 PHE QE . 16066 1 45 . 1 1 7 7 PHE C C 13 173.812 0 . 1 . . . . 4 PHE C . 16066 1 46 . 1 1 7 7 PHE CA C 13 56.853 0 . 1 . . . . 4 PHE CA . 16066 1 47 . 1 1 7 7 PHE CB C 13 40.541 0 . 1 . . . . 4 PHE CB . 16066 1 48 . 1 1 7 7 PHE N N 15 119.295 0.013 . 1 . . . . 4 PHE N . 16066 1 49 . 1 1 8 8 LEU H H 1 8.255 0.002 . 1 . . . . 5 LEU H . 16066 1 50 . 1 1 8 8 LEU HA H 1 4.985 0.003 . 1 . . . . 5 LEU HA . 16066 1 51 . 1 1 8 8 LEU HB2 H 1 1.276 0.001 . 2 . . . . 5 LEU HB2 . 16066 1 52 . 1 1 8 8 LEU HB3 H 1 1.733 0.004 . 2 . . . . 5 LEU HB3 . 16066 1 53 . 1 1 8 8 LEU HD11 H 1 0.711 0.001 . 2 . . . . 5 LEU QD1 . 16066 1 54 . 1 1 8 8 LEU HD12 H 1 0.711 0.001 . 2 . . . . 5 LEU QD1 . 16066 1 55 . 1 1 8 8 LEU HD13 H 1 0.711 0.001 . 2 . . . . 5 LEU QD1 . 16066 1 56 . 1 1 8 8 LEU HD21 H 1 0.521 0.002 . 2 . . . . 5 LEU QD2 . 16066 1 57 . 1 1 8 8 LEU HD22 H 1 0.521 0.002 . 2 . . . . 5 LEU QD2 . 16066 1 58 . 1 1 8 8 LEU HD23 H 1 0.521 0.002 . 2 . . . . 5 LEU QD2 . 16066 1 59 . 1 1 8 8 LEU HG H 1 1.185 0.002 . 1 . . . . 5 LEU HG . 16066 1 60 . 1 1 8 8 LEU C C 13 174.927 0 . 1 . . . . 5 LEU C . 16066 1 61 . 1 1 8 8 LEU CA C 13 53.544 0 . 1 . . . . 5 LEU CA . 16066 1 62 . 1 1 8 8 LEU CB C 13 44.201 0 . 1 . . . . 5 LEU CB . 16066 1 63 . 1 1 8 8 LEU CD1 C 13 26.172 0 . 2 . . . . 5 LEU CD1 . 16066 1 64 . 1 1 8 8 LEU CD2 C 13 23.736 0 . 2 . . . . 5 LEU CD2 . 16066 1 65 . 1 1 8 8 LEU CG C 13 27.053 0 . 1 . . . . 5 LEU CG . 16066 1 66 . 1 1 8 8 LEU N N 15 124.516 0.001 . 1 . . . . 5 LEU N . 16066 1 67 . 1 1 9 9 ASP H H 1 9.047 0.002 . 1 . . . . 6 ASP H . 16066 1 68 . 1 1 9 9 ASP HA H 1 5.089 0.004 . 1 . . . . 6 ASP HA . 16066 1 69 . 1 1 9 9 ASP HB2 H 1 2.68 0.002 . 2 . . . . 6 ASP HB2 . 16066 1 70 . 1 1 9 9 ASP HB3 H 1 2.705 0.004 . 2 . . . . 6 ASP HB3 . 16066 1 71 . 1 1 9 9 ASP C C 13 173.216 0 . 1 . . . . 6 ASP C . 16066 1 72 . 1 1 9 9 ASP CA C 13 52.278 0 . 1 . . . . 6 ASP CA . 16066 1 73 . 1 1 9 9 ASP CB C 13 45.326 0 . 1 . . . . 6 ASP CB . 16066 1 74 . 1 1 9 9 ASP N N 15 126.171 0.008 . 1 . . . . 6 ASP N . 16066 1 75 . 1 1 10 10 PHE H H 1 8.891 0.002 . 1 . . . . 7 PHE H . 16066 1 76 . 1 1 10 10 PHE HA H 1 4.545 0.003 . 1 . . . . 7 PHE HA . 16066 1 77 . 1 1 10 10 PHE HB2 H 1 2.699 0.002 . 2 . . . . 7 PHE HB2 . 16066 1 78 . 1 1 10 10 PHE HB3 H 1 2.724 0.002 . 2 . . . . 7 PHE HB3 . 16066 1 79 . 1 1 10 10 PHE HD1 H 1 6.367 0 . 3 . . . . 7 PHE QD . 16066 1 80 . 1 1 10 10 PHE HD2 H 1 6.367 0 . 3 . . . . 7 PHE QD . 16066 1 81 . 1 1 10 10 PHE HE1 H 1 6.708 0 . 3 . . . . 7 PHE QE . 16066 1 82 . 1 1 10 10 PHE HE2 H 1 6.708 0 . 3 . . . . 7 PHE QE . 16066 1 83 . 1 1 10 10 PHE C C 13 175.218 0 . 1 . . . . 7 PHE C . 16066 1 84 . 1 1 10 10 PHE CA C 13 56.243 0 . 1 . . . . 7 PHE CA . 16066 1 85 . 1 1 10 10 PHE CB C 13 43.638 0 . 1 . . . . 7 PHE CB . 16066 1 86 . 1 1 10 10 PHE N N 15 119.178 0.002 . 1 . . . . 7 PHE N . 16066 1 87 . 1 1 11 11 ASP H H 1 8.124 0.002 . 1 . . . . 8 ASP H . 16066 1 88 . 1 1 11 11 ASP HA H 1 4.551 0.003 . 1 . . . . 8 ASP HA . 16066 1 89 . 1 1 11 11 ASP HB2 H 1 2.6 0 . 2 . . . . 8 ASP HB2 . 16066 1 90 . 1 1 11 11 ASP HB3 H 1 2.55 0 . 2 . . . . 8 ASP HB3 . 16066 1 91 . 1 1 11 11 ASP C C 13 177.157 0 . 1 . . . . 8 ASP C . 16066 1 92 . 1 1 11 11 ASP CA C 13 54.315 0 . 1 . . . . 8 ASP CA . 16066 1 93 . 1 1 11 11 ASP CB C 13 44.201 0 . 1 . . . . 8 ASP CB . 16066 1 94 . 1 1 11 11 ASP N N 15 123.305 0.006 . 1 . . . . 8 ASP N . 16066 1 95 . 1 1 12 12 GLU H H 1 9.197 0.002 . 1 . . . . 9 GLU H . 16066 1 96 . 1 1 12 12 GLU HA H 1 4.016 0 . 1 . . . . 9 GLU HA . 16066 1 97 . 1 1 12 12 GLU HB2 H 1 2.125 0 . 2 . . . . 9 GLU HB2 . 16066 1 98 . 1 1 12 12 GLU HB3 H 1 2.222 0 . 2 . . . . 9 GLU HB3 . 16066 1 99 . 1 1 12 12 GLU HG2 H 1 2.425 0 . 2 . . . . 9 GLU HG2 . 16066 1 100 . 1 1 12 12 GLU HG3 H 1 2.36 0.005 . 2 . . . . 9 GLU HG3 . 16066 1 101 . 1 1 12 12 GLU C C 13 178.88 0 . 1 . . . . 9 GLU C . 16066 1 102 . 1 1 12 12 GLU CA C 13 60.365 0 . 1 . . . . 9 GLU CA . 16066 1 103 . 1 1 12 12 GLU CB C 13 29.67 0 . 1 . . . . 9 GLU CB . 16066 1 104 . 1 1 12 12 GLU CG C 13 36.044 0 . 1 . . . . 9 GLU CG . 16066 1 105 . 1 1 12 12 GLU N N 15 127.082 0.005 . 1 . . . . 9 GLU N . 16066 1 106 . 1 1 13 13 ARG H H 1 8.949 0.001 . 1 . . . . 10 ARG H . 16066 1 107 . 1 1 13 13 ARG HA H 1 4.097 0.001 . 1 . . . . 10 ARG HA . 16066 1 108 . 1 1 13 13 ARG HB2 H 1 1.96 0 . 2 . . . . 10 ARG HB2 . 16066 1 109 . 1 1 13 13 ARG HB3 H 1 1.936 0 . 2 . . . . 10 ARG HB3 . 16066 1 110 . 1 1 13 13 ARG HD2 H 1 3.386 0 . 2 . . . . 10 ARG HD2 . 16066 1 111 . 1 1 13 13 ARG HD3 H 1 3.177 0.004 . 2 . . . . 10 ARG HD3 . 16066 1 112 . 1 1 13 13 ARG HG2 H 1 1.776 0 . 2 . . . . 10 ARG HG2 . 16066 1 113 . 1 1 13 13 ARG HG3 H 1 1.699 0 . 2 . . . . 10 ARG HG3 . 16066 1 114 . 1 1 13 13 ARG C C 13 179.273 0 . 1 . . . . 10 ARG C . 16066 1 115 . 1 1 13 13 ARG CA C 13 58.924 0 . 1 . . . . 10 ARG CA . 16066 1 116 . 1 1 13 13 ARG CB C 13 30.138 0 . 1 . . . . 10 ARG CB . 16066 1 117 . 1 1 13 13 ARG CD C 13 43.357 0 . 1 . . . . 10 ARG CD . 16066 1 118 . 1 1 13 13 ARG CG C 13 27.325 0 . 1 . . . . 10 ARG CG . 16066 1 119 . 1 1 13 13 ARG N N 15 119.265 0.014 . 1 . . . . 10 ARG N . 16066 1 120 . 1 1 14 14 ALA H H 1 7.451 0.002 . 1 . . . . 11 ALA H . 16066 1 121 . 1 1 14 14 ALA HA H 1 4.685 0.001 . 1 . . . . 11 ALA HA . 16066 1 122 . 1 1 14 14 ALA HB1 H 1 1.419 0 . 1 . . . . 11 ALA QB . 16066 1 123 . 1 1 14 14 ALA HB2 H 1 1.419 0 . 1 . . . . 11 ALA QB . 16066 1 124 . 1 1 14 14 ALA HB3 H 1 1.419 0 . 1 . . . . 11 ALA QB . 16066 1 125 . 1 1 14 14 ALA C C 13 179.564 0 . 1 . . . . 11 ALA C . 16066 1 126 . 1 1 14 14 ALA CA C 13 53.705 0 . 1 . . . . 11 ALA CA . 16066 1 127 . 1 1 14 14 ALA CB C 13 18.325 0 . 1 . . . . 11 ALA CB . 16066 1 128 . 1 1 14 14 ALA N N 15 122.421 0.006 . 1 . . . . 11 ALA N . 16066 1 129 . 1 1 15 15 LEU H H 1 8.683 0.003 . 1 . . . . 12 LEU H . 16066 1 130 . 1 1 15 15 LEU HA H 1 3.877 0.002 . 1 . . . . 12 LEU HA . 16066 1 131 . 1 1 15 15 LEU HB2 H 1 1.894 0.001 . 2 . . . . 12 LEU HB2 . 16066 1 132 . 1 1 15 15 LEU HB3 H 1 1.293 0.003 . 2 . . . . 12 LEU HB3 . 16066 1 133 . 1 1 15 15 LEU HD11 H 1 0.768 0.001 . 2 . . . . 12 LEU QD1 . 16066 1 134 . 1 1 15 15 LEU HD12 H 1 0.768 0.001 . 2 . . . . 12 LEU QD1 . 16066 1 135 . 1 1 15 15 LEU HD13 H 1 0.768 0.001 . 2 . . . . 12 LEU QD1 . 16066 1 136 . 1 1 15 15 LEU HD21 H 1 0.323 0.001 . 2 . . . . 12 LEU QD2 . 16066 1 137 . 1 1 15 15 LEU HD22 H 1 0.323 0.001 . 2 . . . . 12 LEU QD2 . 16066 1 138 . 1 1 15 15 LEU HD23 H 1 0.323 0.001 . 2 . . . . 12 LEU QD2 . 16066 1 139 . 1 1 15 15 LEU HG H 1 1.404 0.002 . 1 . . . . 12 LEU HG . 16066 1 140 . 1 1 15 15 LEU C C 13 178.55 0 . 1 . . . . 12 LEU C . 16066 1 141 . 1 1 15 15 LEU CA C 13 57.139 0 . 1 . . . . 12 LEU CA . 16066 1 142 . 1 1 15 15 LEU CB C 13 41.103 0 . 1 . . . . 12 LEU CB . 16066 1 143 . 1 1 15 15 LEU CD1 C 13 25.135 0 . 2 . . . . 12 LEU CD1 . 16066 1 144 . 1 1 15 15 LEU CD2 C 13 22.198 0 . 2 . . . . 12 LEU CD2 . 16066 1 145 . 1 1 15 15 LEU CG C 13 26.481 0 . 1 . . . . 12 LEU CG . 16066 1 146 . 1 1 15 15 LEU N N 15 120.118 0.001 . 1 . . . . 12 LEU N . 16066 1 147 . 1 1 16 16 LYS H H 1 7.345 0.002 . 1 . . . . 13 LYS H . 16066 1 148 . 1 1 16 16 LYS HA H 1 3.995 0 . 1 . . . . 13 LYS HA . 16066 1 149 . 1 1 16 16 LYS HB2 H 1 2.026 0 . 2 . . . . 13 LYS HB2 . 16066 1 150 . 1 1 16 16 LYS HB3 H 1 1.974 0 . 2 . . . . 13 LYS HB3 . 16066 1 151 . 1 1 16 16 LYS HD2 H 1 1.746 0 . 2 . . . . 13 LYS QD . 16066 1 152 . 1 1 16 16 LYS HD3 H 1 1.746 0 . 2 . . . . 13 LYS QD . 16066 1 153 . 1 1 16 16 LYS HE2 H 1 3.03 0 . 2 . . . . 13 LYS QE . 16066 1 154 . 1 1 16 16 LYS HE3 H 1 3.03 0 . 2 . . . . 13 LYS QE . 16066 1 155 . 1 1 16 16 LYS HG2 H 1 1.738 0 . 2 . . . . 13 LYS HG2 . 16066 1 156 . 1 1 16 16 LYS HG3 H 1 1.459 0 . 2 . . . . 13 LYS HG3 . 16066 1 157 . 1 1 16 16 LYS C C 13 179.678 0 . 1 . . . . 13 LYS C . 16066 1 158 . 1 1 16 16 LYS CA C 13 59.7 0 . 1 . . . . 13 LYS CA . 16066 1 159 . 1 1 16 16 LYS CB C 13 32.388 0 . 1 . . . . 13 LYS CB . 16066 1 160 . 1 1 16 16 LYS CD C 13 29.2 0 . 1 . . . . 13 LYS CD . 16066 1 161 . 1 1 16 16 LYS CE C 13 41.669 0 . 1 . . . . 13 LYS CE . 16066 1 162 . 1 1 16 16 LYS CG C 13 25.634 0 . 1 . . . . 13 LYS CG . 16066 1 163 . 1 1 16 16 LYS N N 15 117.725 0.012 . 1 . . . . 13 LYS N . 16066 1 164 . 1 1 17 17 GLU H H 1 7.453 0.003 . 1 . . . . 14 GLU H . 16066 1 165 . 1 1 17 17 GLU HA H 1 4.016 0.002 . 1 . . . . 14 GLU HA . 16066 1 166 . 1 1 17 17 GLU HB2 H 1 2.614 0 . 2 . . . . 14 GLU HB2 . 16066 1 167 . 1 1 17 17 GLU HB3 H 1 2.298 0 . 2 . . . . 14 GLU HB3 . 16066 1 168 . 1 1 17 17 GLU HG2 H 1 2.644 0.005 . 2 . . . . 14 GLU HG2 . 16066 1 169 . 1 1 17 17 GLU HG3 H 1 2.531 0.002 . 2 . . . . 14 GLU HG3 . 16066 1 170 . 1 1 17 17 GLU C C 13 179.589 0 . 1 . . . . 14 GLU C . 16066 1 171 . 1 1 17 17 GLU CA C 13 58.841 0 . 1 . . . . 14 GLU CA . 16066 1 172 . 1 1 17 17 GLU CB C 13 29.298 0.003 . 1 . . . . 14 GLU CB . 16066 1 173 . 1 1 17 17 GLU CG C 13 36.174 0 . 1 . . . . 14 GLU CG . 16066 1 174 . 1 1 17 17 GLU N N 15 118.019 0.034 . 1 . . . . 14 GLU N . 16066 1 175 . 1 1 18 18 TRP H H 1 9.081 0.003 . 1 . . . . 15 TRP H . 16066 1 176 . 1 1 18 18 TRP HA H 1 4.174 0.004 . 1 . . . . 15 TRP HA . 16066 1 177 . 1 1 18 18 TRP HB2 H 1 3.614 0.004 . 2 . . . . 15 TRP HB2 . 16066 1 178 . 1 1 18 18 TRP HB3 H 1 3.328 0.001 . 2 . . . . 15 TRP HB3 . 16066 1 179 . 1 1 18 18 TRP HD1 H 1 6.721 0 . 1 . . . . 15 TRP HD1 . 16066 1 180 . 1 1 18 18 TRP HE1 H 1 10.191 0.007 . 1 . . . . 15 TRP HE1 . 16066 1 181 . 1 1 18 18 TRP HE3 H 1 7.485 0.001 . 1 . . . . 15 TRP HE3 . 16066 1 182 . 1 1 18 18 TRP HZ3 H 1 6.399 0 . 1 . . . . 15 TRP HZ3 . 16066 1 183 . 1 1 18 18 TRP C C 13 178.36 0 . 1 . . . . 15 TRP C . 16066 1 184 . 1 1 18 18 TRP CA C 13 59.938 0 . 1 . . . . 15 TRP CA . 16066 1 185 . 1 1 18 18 TRP CB C 13 30.241 0 . 1 . . . . 15 TRP CB . 16066 1 186 . 1 1 18 18 TRP N N 15 122.628 0.003 . 1 . . . . 15 TRP N . 16066 1 187 . 1 1 18 18 TRP NE1 N 15 130.042 0.006 . 1 . . . . 15 TRP NE1 . 16066 1 188 . 1 1 19 19 ARG H H 1 8.197 0.002 . 1 . . . . 16 ARG H . 16066 1 189 . 1 1 19 19 ARG HA H 1 3.863 0.002 . 1 . . . . 16 ARG HA . 16066 1 190 . 1 1 19 19 ARG HB2 H 1 1.895 0.001 . 2 . . . . 16 ARG HB2 . 16066 1 191 . 1 1 19 19 ARG HB3 H 1 1.974 0.001 . 2 . . . . 16 ARG HB3 . 16066 1 192 . 1 1 19 19 ARG HD2 H 1 3.161 0.001 . 2 . . . . 16 ARG QD . 16066 1 193 . 1 1 19 19 ARG HD3 H 1 3.161 0.001 . 2 . . . . 16 ARG QD . 16066 1 194 . 1 1 19 19 ARG HG2 H 1 1.997 0.001 . 2 . . . . 16 ARG HG2 . 16066 1 195 . 1 1 19 19 ARG HG3 H 1 1.773 0 . 2 . . . . 16 ARG HG3 . 16066 1 196 . 1 1 19 19 ARG C C 13 177.03 0 . 1 . . . . 16 ARG C . 16066 1 197 . 1 1 19 19 ARG CA C 13 58.516 0 . 1 . . . . 16 ARG CA . 16066 1 198 . 1 1 19 19 ARG CB C 13 30.3 0 . 1 . . . . 16 ARG CB . 16066 1 199 . 1 1 19 19 ARG CD C 13 43.357 0 . 1 . . . . 16 ARG CD . 16066 1 200 . 1 1 19 19 ARG CG C 13 28.45 0 . 1 . . . . 16 ARG CG . 16066 1 201 . 1 1 19 19 ARG N N 15 115.582 0.003 . 1 . . . . 16 ARG N . 16066 1 202 . 1 1 20 20 LYS H H 1 7.308 0.003 . 1 . . . . 17 LYS H . 16066 1 203 . 1 1 20 20 LYS HA H 1 4.238 0 . 1 . . . . 17 LYS HA . 16066 1 204 . 1 1 20 20 LYS HB2 H 1 2.062 0 . 2 . . . . 17 LYS HB2 . 16066 1 205 . 1 1 20 20 LYS HB3 H 1 1.931 0.001 . 2 . . . . 17 LYS HB3 . 16066 1 206 . 1 1 20 20 LYS HD2 H 1 1.73 0.001 . 2 . . . . 17 LYS QD . 16066 1 207 . 1 1 20 20 LYS HD3 H 1 1.73 0.001 . 2 . . . . 17 LYS QD . 16066 1 208 . 1 1 20 20 LYS HE2 H 1 2.99 0 . 2 . . . . 17 LYS QE . 16066 1 209 . 1 1 20 20 LYS HE3 H 1 2.99 0 . 2 . . . . 17 LYS QE . 16066 1 210 . 1 1 20 20 LYS HG2 H 1 1.532 0.001 . 2 . . . . 17 LYS QG . 16066 1 211 . 1 1 20 20 LYS HG3 H 1 1.532 0.001 . 2 . . . . 17 LYS QG . 16066 1 212 . 1 1 20 20 LYS C C 13 177.043 0 . 1 . . . . 17 LYS C . 16066 1 213 . 1 1 20 20 LYS CA C 13 56.27 0 . 1 . . . . 17 LYS CA . 16066 1 214 . 1 1 20 20 LYS CB C 13 32.3 0 . 1 . . . . 17 LYS CB . 16066 1 215 . 1 1 20 20 LYS CD C 13 29.294 0 . 1 . . . . 17 LYS CD . 16066 1 216 . 1 1 20 20 LYS CE C 13 41.8 0 . 1 . . . . 17 LYS CE . 16066 1 217 . 1 1 20 20 LYS CG C 13 25.075 0 . 1 . . . . 17 LYS CG . 16066 1 218 . 1 1 20 20 LYS N N 15 116.689 0.004 . 1 . . . . 17 LYS N . 16066 1 219 . 1 1 21 21 LEU H H 1 6.998 0.001 . 1 . . . . 18 LEU H . 16066 1 220 . 1 1 21 21 LEU HA H 1 4.026 0.003 . 1 . . . . 18 LEU HA . 16066 1 221 . 1 1 21 21 LEU HB2 H 1 1.034 0 . 2 . . . . 18 LEU HB2 . 16066 1 222 . 1 1 21 21 LEU HB3 H 1 1.472 0 . 2 . . . . 18 LEU HB3 . 16066 1 223 . 1 1 21 21 LEU HD11 H 1 0.558 0.001 . 2 . . . . 18 LEU QD1 . 16066 1 224 . 1 1 21 21 LEU HD12 H 1 0.558 0.001 . 2 . . . . 18 LEU QD1 . 16066 1 225 . 1 1 21 21 LEU HD13 H 1 0.558 0.001 . 2 . . . . 18 LEU QD1 . 16066 1 226 . 1 1 21 21 LEU HD21 H 1 0.453 0.002 . 2 . . . . 18 LEU QD2 . 16066 1 227 . 1 1 21 21 LEU HD22 H 1 0.453 0.002 . 2 . . . . 18 LEU QD2 . 16066 1 228 . 1 1 21 21 LEU HD23 H 1 0.453 0.002 . 2 . . . . 18 LEU QD2 . 16066 1 229 . 1 1 21 21 LEU HG H 1 1.993 0.002 . 1 . . . . 18 LEU HG . 16066 1 230 . 1 1 21 21 LEU C C 13 177.676 0 . 1 . . . . 18 LEU C . 16066 1 231 . 1 1 21 21 LEU CA C 13 54.567 0 . 1 . . . . 18 LEU CA . 16066 1 232 . 1 1 21 21 LEU CB C 13 43.357 0 . 1 . . . . 18 LEU CB . 16066 1 233 . 1 1 21 21 LEU CD1 C 13 22.907 0 . 2 . . . . 18 LEU CD1 . 16066 1 234 . 1 1 21 21 LEU CD2 C 13 26.587 0 . 2 . . . . 18 LEU CD2 . 16066 1 235 . 1 1 21 21 LEU CG C 13 25.443 0 . 1 . . . . 18 LEU CG . 16066 1 236 . 1 1 21 21 LEU N N 15 118.778 0.017 . 1 . . . . 18 LEU N . 16066 1 237 . 1 1 22 22 GLY H H 1 8.37 0.002 . 1 . . . . 19 GLY H . 16066 1 238 . 1 1 22 22 GLY HA2 H 1 4.064 0 . 2 . . . . 19 GLY HA2 . 16066 1 239 . 1 1 22 22 GLY HA3 H 1 3.845 0.001 . 2 . . . . 19 GLY HA3 . 16066 1 240 . 1 1 22 22 GLY C C 13 174.813 0 . 1 . . . . 19 GLY C . 16066 1 241 . 1 1 22 22 GLY CA C 13 45.045 0 . 1 . . . . 19 GLY CA . 16066 1 242 . 1 1 22 22 GLY N N 15 107.49 0.017 . 1 . . . . 19 GLY N . 16066 1 243 . 1 1 23 23 SER H H 1 8.675 0.004 . 1 . . . . 20 SER H . 16066 1 244 . 1 1 23 23 SER HA H 1 4.288 0 . 1 . . . . 20 SER HA . 16066 1 245 . 1 1 23 23 SER HB2 H 1 3.892 0.002 . 2 . . . . 20 SER HB2 . 16066 1 246 . 1 1 23 23 SER HB3 H 1 3.848 0.001 . 2 . . . . 20 SER HB3 . 16066 1 247 . 1 1 23 23 SER CA C 13 58.981 0 . 1 . . . . 20 SER CA . 16066 1 248 . 1 1 23 23 SER CB C 13 63.045 0 . 1 . . . . 20 SER CB . 16066 1 249 . 1 1 23 23 SER N N 15 117.877 0.005 . 1 . . . . 20 SER N . 16066 1 250 . 1 1 24 24 THR H H 1 8.216 0.002 . 1 . . . . 21 THR H . 16066 1 251 . 1 1 24 24 THR HA H 1 3.983 0 . 1 . . . . 21 THR HA . 16066 1 252 . 1 1 24 24 THR HB H 1 4.174 0.002 . 1 . . . . 21 THR HB . 16066 1 253 . 1 1 24 24 THR HG21 H 1 1.224 0.003 . 1 . . . . 21 THR QG2 . 16066 1 254 . 1 1 24 24 THR HG22 H 1 1.224 0.003 . 1 . . . . 21 THR QG2 . 16066 1 255 . 1 1 24 24 THR HG23 H 1 1.224 0.003 . 1 . . . . 21 THR QG2 . 16066 1 256 . 1 1 24 24 THR C C 13 176.51 0 . 1 . . . . 21 THR C . 16066 1 257 . 1 1 24 24 THR CA C 13 65.858 0 . 1 . . . . 21 THR CA . 16066 1 258 . 1 1 24 24 THR CB C 13 67.941 0 . 1 . . . . 21 THR CB . 16066 1 259 . 1 1 24 24 THR CG2 C 13 21.7 0 . 1 . . . . 21 THR CG2 . 16066 1 260 . 1 1 24 24 THR N N 15 115.68 0.001 . 1 . . . . 21 THR N . 16066 1 261 . 1 1 25 25 VAL H H 1 7.143 0.002 . 1 . . . . 22 VAL H . 16066 1 262 . 1 1 25 25 VAL HA H 1 3.545 0.002 . 1 . . . . 22 VAL HA . 16066 1 263 . 1 1 25 25 VAL HB H 1 1.622 0.002 . 1 . . . . 22 VAL HB . 16066 1 264 . 1 1 25 25 VAL HG11 H 1 0.729 0.002 . 2 . . . . 22 VAL QG1 . 16066 1 265 . 1 1 25 25 VAL HG12 H 1 0.729 0.002 . 2 . . . . 22 VAL QG1 . 16066 1 266 . 1 1 25 25 VAL HG13 H 1 0.729 0.002 . 2 . . . . 22 VAL QG1 . 16066 1 267 . 1 1 25 25 VAL HG21 H 1 0.229 0.002 . 2 . . . . 22 VAL QG2 . 16066 1 268 . 1 1 25 25 VAL HG22 H 1 0.229 0.002 . 2 . . . . 22 VAL QG2 . 16066 1 269 . 1 1 25 25 VAL HG23 H 1 0.229 0.002 . 2 . . . . 22 VAL QG2 . 16066 1 270 . 1 1 25 25 VAL C C 13 177.613 0 . 1 . . . . 22 VAL C . 16066 1 271 . 1 1 25 25 VAL CA C 13 65.577 0 . 1 . . . . 22 VAL CA . 16066 1 272 . 1 1 25 25 VAL CB C 13 31.544 0 . 1 . . . . 22 VAL CB . 16066 1 273 . 1 1 25 25 VAL CG1 C 13 21.981 0 . 2 . . . . 22 VAL CG1 . 16066 1 274 . 1 1 25 25 VAL CG2 C 13 21.076 0 . 2 . . . . 22 VAL CG2 . 16066 1 275 . 1 1 25 25 VAL N N 15 122.443 0.005 . 1 . . . . 22 VAL N . 16066 1 276 . 1 1 26 26 ARG H H 1 7.84 0.003 . 1 . . . . 23 ARG H . 16066 1 277 . 1 1 26 26 ARG HA H 1 3.156 0.002 . 1 . . . . 23 ARG HA . 16066 1 278 . 1 1 26 26 ARG HB2 H 1 1.458 0.002 . 2 . . . . 23 ARG HB2 . 16066 1 279 . 1 1 26 26 ARG HB3 H 1 1.221 0.003 . 2 . . . . 23 ARG HB3 . 16066 1 280 . 1 1 26 26 ARG HD2 H 1 2.49 0.001 . 2 . . . . 23 ARG HD2 . 16066 1 281 . 1 1 26 26 ARG HD3 H 1 2.336 0 . 2 . . . . 23 ARG HD3 . 16066 1 282 . 1 1 26 26 ARG HG2 H 1 0.117 0 . 2 . . . . 23 ARG HG2 . 16066 1 283 . 1 1 26 26 ARG HG3 H 1 0.411 0.002 . 2 . . . . 23 ARG HG3 . 16066 1 284 . 1 1 26 26 ARG C C 13 177.79 0 . 1 . . . . 23 ARG C . 16066 1 285 . 1 1 26 26 ARG CA C 13 59.951 0 . 1 . . . . 23 ARG CA . 16066 1 286 . 1 1 26 26 ARG CB C 13 29.59 0.017 . 1 . . . . 23 ARG CB . 16066 1 287 . 1 1 26 26 ARG CD C 13 42.232 0 . 1 . . . . 23 ARG CD . 16066 1 288 . 1 1 26 26 ARG CG C 13 28.165 0 . 1 . . . . 23 ARG CG . 16066 1 289 . 1 1 26 26 ARG N N 15 119.146 0.003 . 1 . . . . 23 ARG N . 16066 1 290 . 1 1 27 27 GLU H H 1 8.159 0.001 . 1 . . . . 24 GLU H . 16066 1 291 . 1 1 27 27 GLU HA H 1 3.97 0 . 1 . . . . 24 GLU HA . 16066 1 292 . 1 1 27 27 GLU HB2 H 1 2.112 0 . 2 . . . . 24 GLU HB2 . 16066 1 293 . 1 1 27 27 GLU HB3 H 1 2.172 0 . 2 . . . . 24 GLU HB3 . 16066 1 294 . 1 1 27 27 GLU HG2 H 1 2.364 0.002 . 2 . . . . 24 GLU QG . 16066 1 295 . 1 1 27 27 GLU HG3 H 1 2.364 0.002 . 2 . . . . 24 GLU QG . 16066 1 296 . 1 1 27 27 GLU C C 13 179.577 0 . 1 . . . . 24 GLU C . 16066 1 297 . 1 1 27 27 GLU CA C 13 59.4 0 . 1 . . . . 24 GLU CA . 16066 1 298 . 1 1 27 27 GLU CB C 13 29.013 0 . 1 . . . . 24 GLU CB . 16066 1 299 . 1 1 27 27 GLU CG C 13 36.044 0 . 1 . . . . 24 GLU CG . 16066 1 300 . 1 1 27 27 GLU N N 15 116.672 0.017 . 1 . . . . 24 GLU N . 16066 1 301 . 1 1 28 28 GLN H H 1 7.693 0.002 . 1 . . . . 25 GLN H . 16066 1 302 . 1 1 28 28 GLN HA H 1 4.094 0.002 . 1 . . . . 25 GLN HA . 16066 1 303 . 1 1 28 28 GLN HB2 H 1 2.26 0.002 . 2 . . . . 25 GLN HB2 . 16066 1 304 . 1 1 28 28 GLN HB3 H 1 2.091 0.002 . 2 . . . . 25 GLN HB3 . 16066 1 305 . 1 1 28 28 GLN HE21 H 1 7.331 0.002 . 2 . . . . 25 GLN HE21 . 16066 1 306 . 1 1 28 28 GLN HE22 H 1 6.821 0.002 . 2 . . . . 25 GLN HE22 . 16066 1 307 . 1 1 28 28 GLN HG2 H 1 2.696 0.002 . 2 . . . . 25 GLN HG2 . 16066 1 308 . 1 1 28 28 GLN HG3 H 1 2.434 0.002 . 2 . . . . 25 GLN HG3 . 16066 1 309 . 1 1 28 28 GLN C C 13 179.919 0 . 1 . . . . 25 GLN C . 16066 1 310 . 1 1 28 28 GLN CA C 13 59.108 0 . 1 . . . . 25 GLN CA . 16066 1 311 . 1 1 28 28 GLN CB C 13 29.575 0 . 1 . . . . 25 GLN CB . 16066 1 312 . 1 1 28 28 GLN CG C 13 34.357 0 . 1 . . . . 25 GLN CG . 16066 1 313 . 1 1 28 28 GLN N N 15 118.482 0.003 . 1 . . . . 25 GLN N . 16066 1 314 . 1 1 28 28 GLN NE2 N 15 111.125 0.007 . 1 . . . . 25 GLN NE2 . 16066 1 315 . 1 1 29 29 LEU H H 1 8.441 0.001 . 1 . . . . 26 LEU H . 16066 1 316 . 1 1 29 29 LEU HA H 1 4.096 0.003 . 1 . . . . 26 LEU HA . 16066 1 317 . 1 1 29 29 LEU HB2 H 1 2.204 0.003 . 2 . . . . 26 LEU HB2 . 16066 1 318 . 1 1 29 29 LEU HB3 H 1 1.505 0.003 . 2 . . . . 26 LEU HB3 . 16066 1 319 . 1 1 29 29 LEU HD11 H 1 0.809 0.002 . 2 . . . . 26 LEU QD1 . 16066 1 320 . 1 1 29 29 LEU HD12 H 1 0.809 0.002 . 2 . . . . 26 LEU QD1 . 16066 1 321 . 1 1 29 29 LEU HD13 H 1 0.809 0.002 . 2 . . . . 26 LEU QD1 . 16066 1 322 . 1 1 29 29 LEU HD21 H 1 0.847 0.002 . 2 . . . . 26 LEU QD2 . 16066 1 323 . 1 1 29 29 LEU HD22 H 1 0.847 0.002 . 2 . . . . 26 LEU QD2 . 16066 1 324 . 1 1 29 29 LEU HD23 H 1 0.847 0.002 . 2 . . . . 26 LEU QD2 . 16066 1 325 . 1 1 29 29 LEU HG H 1 1.833 0.002 . 1 . . . . 26 LEU HG . 16066 1 326 . 1 1 29 29 LEU C C 13 178.804 0 . 1 . . . . 26 LEU C . 16066 1 327 . 1 1 29 29 LEU CA C 13 57.983 0 . 1 . . . . 26 LEU CA . 16066 1 328 . 1 1 29 29 LEU CB C 13 42.513 0 . 1 . . . . 26 LEU CB . 16066 1 329 . 1 1 29 29 LEU CD1 C 13 26.621 0 . 2 . . . . 26 LEU CD1 . 16066 1 330 . 1 1 29 29 LEU CD2 C 13 23.373 0 . 2 . . . . 26 LEU CD2 . 16066 1 331 . 1 1 29 29 LEU CG C 13 27.044 0 . 1 . . . . 26 LEU CG . 16066 1 332 . 1 1 29 29 LEU N N 15 119.907 0.005 . 1 . . . . 26 LEU N . 16066 1 333 . 1 1 30 30 LYS H H 1 9.233 0.002 . 1 . . . . 27 LYS H . 16066 1 334 . 1 1 30 30 LYS HA H 1 4.076 0.002 . 1 . . . . 27 LYS HA . 16066 1 335 . 1 1 30 30 LYS HB2 H 1 2.154 0.002 . 2 . . . . 27 LYS HB2 . 16066 1 336 . 1 1 30 30 LYS HB3 H 1 2.104 0.001 . 2 . . . . 27 LYS HB3 . 16066 1 337 . 1 1 30 30 LYS HD2 H 1 1.886 0.002 . 2 . . . . 27 LYS QD . 16066 1 338 . 1 1 30 30 LYS HD3 H 1 1.886 0.002 . 2 . . . . 27 LYS QD . 16066 1 339 . 1 1 30 30 LYS HE2 H 1 2.972 0.001 . 2 . . . . 27 LYS QE . 16066 1 340 . 1 1 30 30 LYS HE3 H 1 2.972 0.001 . 2 . . . . 27 LYS QE . 16066 1 341 . 1 1 30 30 LYS HG2 H 1 1.712 0 . 2 . . . . 27 LYS QG . 16066 1 342 . 1 1 30 30 LYS HG3 H 1 1.712 0 . 2 . . . . 27 LYS QG . 16066 1 343 . 1 1 30 30 LYS C C 13 178.056 0 . 1 . . . . 27 LYS C . 16066 1 344 . 1 1 30 30 LYS CA C 13 60.233 0 . 1 . . . . 27 LYS CA . 16066 1 345 . 1 1 30 30 LYS CB C 13 32.103 0.003 . 1 . . . . 27 LYS CB . 16066 1 346 . 1 1 30 30 LYS CD C 13 29.294 0 . 1 . . . . 27 LYS CD . 16066 1 347 . 1 1 30 30 LYS CE C 13 41.669 0 . 1 . . . . 27 LYS CE . 16066 1 348 . 1 1 30 30 LYS CG C 13 25.356 0 . 1 . . . . 27 LYS CG . 16066 1 349 . 1 1 30 30 LYS N N 15 120.508 0.004 . 1 . . . . 27 LYS N . 16066 1 350 . 1 1 31 31 LYS H H 1 7.698 0.003 . 1 . . . . 28 LYS H . 16066 1 351 . 1 1 31 31 LYS HA H 1 4.056 0.001 . 1 . . . . 28 LYS HA . 16066 1 352 . 1 1 31 31 LYS HB2 H 1 1.975 0 . 2 . . . . 28 LYS QB . 16066 1 353 . 1 1 31 31 LYS HB3 H 1 1.975 0 . 2 . . . . 28 LYS QB . 16066 1 354 . 1 1 31 31 LYS HD2 H 1 1.746 0.002 . 2 . . . . 28 LYS QD . 16066 1 355 . 1 1 31 31 LYS HD3 H 1 1.746 0.002 . 2 . . . . 28 LYS QD . 16066 1 356 . 1 1 31 31 LYS HE2 H 1 3.032 0.001 . 2 . . . . 28 LYS QE . 16066 1 357 . 1 1 31 31 LYS HE3 H 1 3.032 0.001 . 2 . . . . 28 LYS QE . 16066 1 358 . 1 1 31 31 LYS HG2 H 1 1.488 0 . 2 . . . . 28 LYS QG . 16066 1 359 . 1 1 31 31 LYS HG3 H 1 1.488 0 . 2 . . . . 28 LYS QG . 16066 1 360 . 1 1 31 31 LYS C C 13 179.539 0 . 1 . . . . 28 LYS C . 16066 1 361 . 1 1 31 31 LYS CA C 13 59.596 0 . 1 . . . . 28 LYS CA . 16066 1 362 . 1 1 31 31 LYS CB C 13 32.4 0 . 1 . . . . 28 LYS CB . 16066 1 363 . 1 1 31 31 LYS CD C 13 29.294 0 . 1 . . . . 28 LYS CD . 16066 1 364 . 1 1 31 31 LYS CE C 13 41.951 0 . 1 . . . . 28 LYS CE . 16066 1 365 . 1 1 31 31 LYS CG C 13 25.356 0 . 1 . . . . 28 LYS CG . 16066 1 366 . 1 1 31 31 LYS N N 15 117.412 0.011 . 1 . . . . 28 LYS N . 16066 1 367 . 1 1 32 32 LYS H H 1 7.347 0.002 . 1 . . . . 29 LYS H . 16066 1 368 . 1 1 32 32 LYS HA H 1 4.23 0.001 . 1 . . . . 29 LYS HA . 16066 1 369 . 1 1 32 32 LYS HB2 H 1 1.937 0 . 2 . . . . 29 LYS HB2 . 16066 1 370 . 1 1 32 32 LYS HB3 H 1 2.073 0 . 2 . . . . 29 LYS HB3 . 16066 1 371 . 1 1 32 32 LYS HD2 H 1 1.76 0 . 2 . . . . 29 LYS HD2 . 16066 1 372 . 1 1 32 32 LYS HD3 H 1 1.715 0.001 . 2 . . . . 29 LYS HD3 . 16066 1 373 . 1 1 32 32 LYS HE2 H 1 3.116 0.001 . 2 . . . . 29 LYS HE2 . 16066 1 374 . 1 1 32 32 LYS HE3 H 1 3.031 0.002 . 2 . . . . 29 LYS HE3 . 16066 1 375 . 1 1 32 32 LYS HG2 H 1 1.686 0.001 . 2 . . . . 29 LYS HG2 . 16066 1 376 . 1 1 32 32 LYS HG3 H 1 1.564 0 . 2 . . . . 29 LYS HG3 . 16066 1 377 . 1 1 32 32 LYS C C 13 179.057 0 . 1 . . . . 29 LYS C . 16066 1 378 . 1 1 32 32 LYS CA C 13 57.553 0 . 1 . . . . 29 LYS CA . 16066 1 379 . 1 1 32 32 LYS CB C 13 32.103 0.003 . 1 . . . . 29 LYS CB . 16066 1 380 . 1 1 32 32 LYS CD C 13 27.888 0 . 1 . . . . 29 LYS CD . 16066 1 381 . 1 1 32 32 LYS CE C 13 41.669 0 . 1 . . . . 29 LYS CE . 16066 1 382 . 1 1 32 32 LYS CG C 13 25.075 0 . 1 . . . . 29 LYS CG . 16066 1 383 . 1 1 32 32 LYS N N 15 116.983 0.001 . 1 . . . . 29 LYS N . 16066 1 384 . 1 1 33 33 LEU H H 1 8.663 0.001 . 1 . . . . 30 LEU H . 16066 1 385 . 1 1 33 33 LEU HA H 1 3.844 0.002 . 1 . . . . 30 LEU HA . 16066 1 386 . 1 1 33 33 LEU HB2 H 1 1.905 0.001 . 2 . . . . 30 LEU HB2 . 16066 1 387 . 1 1 33 33 LEU HB3 H 1 1.403 0.001 . 2 . . . . 30 LEU HB3 . 16066 1 388 . 1 1 33 33 LEU HD11 H 1 0.584 0.001 . 2 . . . . 30 LEU QD1 . 16066 1 389 . 1 1 33 33 LEU HD12 H 1 0.584 0.001 . 2 . . . . 30 LEU QD1 . 16066 1 390 . 1 1 33 33 LEU HD13 H 1 0.584 0.001 . 2 . . . . 30 LEU QD1 . 16066 1 391 . 1 1 33 33 LEU HD21 H 1 0.461 0.002 . 2 . . . . 30 LEU QD2 . 16066 1 392 . 1 1 33 33 LEU HD22 H 1 0.461 0.002 . 2 . . . . 30 LEU QD2 . 16066 1 393 . 1 1 33 33 LEU HD23 H 1 0.461 0.002 . 2 . . . . 30 LEU QD2 . 16066 1 394 . 1 1 33 33 LEU HG H 1 1.501 0.001 . 1 . . . . 30 LEU HG . 16066 1 395 . 1 1 33 33 LEU C C 13 177.765 0 . 1 . . . . 30 LEU C . 16066 1 396 . 1 1 33 33 LEU CA C 13 57.42 0 . 1 . . . . 30 LEU CA . 16066 1 397 . 1 1 33 33 LEU CB C 13 42.513 0 . 1 . . . . 30 LEU CB . 16066 1 398 . 1 1 33 33 LEU CD1 C 13 24.231 0 . 2 . . . . 30 LEU CD1 . 16066 1 399 . 1 1 33 33 LEU CD2 C 13 23.615 0 . 2 . . . . 30 LEU CD2 . 16066 1 400 . 1 1 33 33 LEU CG C 13 26.763 0 . 1 . . . . 30 LEU CG . 16066 1 401 . 1 1 33 33 LEU N N 15 121.134 0.002 . 1 . . . . 30 LEU N . 16066 1 402 . 1 1 34 34 VAL H H 1 8.185 0.002 . 1 . . . . 31 VAL H . 16066 1 403 . 1 1 34 34 VAL HA H 1 3.548 0 . 1 . . . . 31 VAL HA . 16066 1 404 . 1 1 34 34 VAL HB H 1 2.187 0.002 . 1 . . . . 31 VAL HB . 16066 1 405 . 1 1 34 34 VAL HG11 H 1 1.116 0.001 . 2 . . . . 31 VAL QG1 . 16066 1 406 . 1 1 34 34 VAL HG12 H 1 1.116 0.001 . 2 . . . . 31 VAL QG1 . 16066 1 407 . 1 1 34 34 VAL HG13 H 1 1.116 0.001 . 2 . . . . 31 VAL QG1 . 16066 1 408 . 1 1 34 34 VAL HG21 H 1 0.979 0.001 . 2 . . . . 31 VAL QG2 . 16066 1 409 . 1 1 34 34 VAL HG22 H 1 0.979 0.001 . 2 . . . . 31 VAL QG2 . 16066 1 410 . 1 1 34 34 VAL HG23 H 1 0.979 0.001 . 2 . . . . 31 VAL QG2 . 16066 1 411 . 1 1 34 34 VAL C C 13 178.639 0 . 1 . . . . 31 VAL C . 16066 1 412 . 1 1 34 34 VAL CA C 13 66.702 0 . 1 . . . . 31 VAL CA . 16066 1 413 . 1 1 34 34 VAL CB C 13 31.544 0 . 1 . . . . 31 VAL CB . 16066 1 414 . 1 1 34 34 VAL CG1 C 13 22.544 0 . 2 . . . . 31 VAL CG1 . 16066 1 415 . 1 1 34 34 VAL CG2 C 13 21.137 0 . 2 . . . . 31 VAL CG2 . 16066 1 416 . 1 1 34 34 VAL N N 15 117.076 0.003 . 1 . . . . 31 VAL N . 16066 1 417 . 1 1 35 35 GLU H H 1 7.143 0.002 . 1 . . . . 32 GLU H . 16066 1 418 . 1 1 35 35 GLU HA H 1 4.093 0 . 1 . . . . 32 GLU HA . 16066 1 419 . 1 1 35 35 GLU HB2 H 1 2.12 0 . 2 . . . . 32 GLU HB2 . 16066 1 420 . 1 1 35 35 GLU HB3 H 1 2.242 0.002 . 2 . . . . 32 GLU HB3 . 16066 1 421 . 1 1 35 35 GLU HG2 H 1 2.506 0 . 2 . . . . 32 GLU HG2 . 16066 1 422 . 1 1 35 35 GLU HG3 H 1 2.257 0.001 . 2 . . . . 32 GLU HG3 . 16066 1 423 . 1 1 35 35 GLU C C 13 179.45 0 . 1 . . . . 32 GLU C . 16066 1 424 . 1 1 35 35 GLU CA C 13 58.264 0 . 1 . . . . 32 GLU CA . 16066 1 425 . 1 1 35 35 GLU CB C 13 29.575 0 . 1 . . . . 32 GLU CB . 16066 1 426 . 1 1 35 35 GLU CG C 13 36.325 0 . 1 . . . . 32 GLU CG . 16066 1 427 . 1 1 35 35 GLU N N 15 117.29 0.004 . 1 . . . . 32 GLU N . 16066 1 428 . 1 1 36 36 VAL H H 1 7.659 0.003 . 1 . . . . 33 VAL H . 16066 1 429 . 1 1 36 36 VAL HA H 1 3.774 0 . 1 . . . . 33 VAL HA . 16066 1 430 . 1 1 36 36 VAL HB H 1 2.172 0 . 1 . . . . 33 VAL HB . 16066 1 431 . 1 1 36 36 VAL HG11 H 1 0.843 0.001 . 2 . . . . 33 VAL QG1 . 16066 1 432 . 1 1 36 36 VAL HG12 H 1 0.843 0.001 . 2 . . . . 33 VAL QG1 . 16066 1 433 . 1 1 36 36 VAL HG13 H 1 0.843 0.001 . 2 . . . . 33 VAL QG1 . 16066 1 434 . 1 1 36 36 VAL HG21 H 1 0.533 0 . 2 . . . . 33 VAL QG2 . 16066 1 435 . 1 1 36 36 VAL HG22 H 1 0.533 0 . 2 . . . . 33 VAL QG2 . 16066 1 436 . 1 1 36 36 VAL HG23 H 1 0.533 0 . 2 . . . . 33 VAL QG2 . 16066 1 437 . 1 1 36 36 VAL C C 13 176.929 0 . 1 . . . . 33 VAL C . 16066 1 438 . 1 1 36 36 VAL CA C 13 63.889 0 . 1 . . . . 33 VAL CA . 16066 1 439 . 1 1 36 36 VAL CB C 13 31.825 0 . 1 . . . . 33 VAL CB . 16066 1 440 . 1 1 36 36 VAL CG1 C 13 21.419 0 . 2 . . . . 33 VAL CG1 . 16066 1 441 . 1 1 36 36 VAL CG2 C 13 20.713 0 . 2 . . . . 33 VAL CG2 . 16066 1 442 . 1 1 36 36 VAL N N 15 118.056 0 . 1 . . . . 33 VAL N . 16066 1 443 . 1 1 37 37 LEU H H 1 7.679 0.002 . 1 . . . . 34 LEU H . 16066 1 444 . 1 1 37 37 LEU HA H 1 3.619 0.002 . 1 . . . . 34 LEU HA . 16066 1 445 . 1 1 37 37 LEU HB2 H 1 1.821 0.001 . 2 . . . . 34 LEU HB2 . 16066 1 446 . 1 1 37 37 LEU HB3 H 1 1.726 0.005 . 2 . . . . 34 LEU HB3 . 16066 1 447 . 1 1 37 37 LEU HD11 H 1 0.878 0.001 . 2 . . . . 34 LEU QD1 . 16066 1 448 . 1 1 37 37 LEU HD12 H 1 0.878 0.001 . 2 . . . . 34 LEU QD1 . 16066 1 449 . 1 1 37 37 LEU HD13 H 1 0.878 0.001 . 2 . . . . 34 LEU QD1 . 16066 1 450 . 1 1 37 37 LEU HD21 H 1 0.504 0.002 . 2 . . . . 34 LEU QD2 . 16066 1 451 . 1 1 37 37 LEU HD22 H 1 0.504 0.002 . 2 . . . . 34 LEU QD2 . 16066 1 452 . 1 1 37 37 LEU HD23 H 1 0.504 0.002 . 2 . . . . 34 LEU QD2 . 16066 1 453 . 1 1 37 37 LEU HG H 1 1.993 0.003 . 1 . . . . 34 LEU HG . 16066 1 454 . 1 1 37 37 LEU C C 13 177.968 0 . 1 . . . . 34 LEU C . 16066 1 455 . 1 1 37 37 LEU CA C 13 57.42 0 . 1 . . . . 34 LEU CA . 16066 1 456 . 1 1 37 37 LEU CB C 13 40.263 0 . 1 . . . . 34 LEU CB . 16066 1 457 . 1 1 37 37 LEU CD1 C 13 25.17 0 . 2 . . . . 34 LEU CD1 . 16066 1 458 . 1 1 37 37 LEU CD2 C 13 21.663 0 . 2 . . . . 34 LEU CD2 . 16066 1 459 . 1 1 37 37 LEU CG C 13 26.2 0 . 1 . . . . 34 LEU CG . 16066 1 460 . 1 1 37 37 LEU N N 15 116.847 0.004 . 1 . . . . 34 LEU N . 16066 1 461 . 1 1 38 38 GLU H H 1 7.238 0.002 . 1 . . . . 35 GLU H . 16066 1 462 . 1 1 38 38 GLU HA H 1 4.295 0 . 1 . . . . 35 GLU HA . 16066 1 463 . 1 1 38 38 GLU HB2 H 1 2.089 0 . 2 . . . . 35 GLU HB2 . 16066 1 464 . 1 1 38 38 GLU HB3 H 1 1.997 0 . 2 . . . . 35 GLU HB3 . 16066 1 465 . 1 1 38 38 GLU HG2 H 1 2.26 0 . 2 . . . . 35 GLU HG2 . 16066 1 466 . 1 1 38 38 GLU HG3 H 1 2.424 0 . 2 . . . . 35 GLU HG3 . 16066 1 467 . 1 1 38 38 GLU C C 13 177.853 0 . 1 . . . . 35 GLU C . 16066 1 468 . 1 1 38 38 GLU CA C 13 57.9 0 . 1 . . . . 35 GLU CA . 16066 1 469 . 1 1 38 38 GLU CB C 13 30.138 0 . 1 . . . . 35 GLU CB . 16066 1 470 . 1 1 38 38 GLU CG C 13 36.2 0 . 1 . . . . 35 GLU CG . 16066 1 471 . 1 1 38 38 GLU N N 15 113.881 0 . 1 . . . . 35 GLU N . 16066 1 472 . 1 1 39 39 SER H H 1 7.101 0.002 . 1 . . . . 36 SER H . 16066 1 473 . 1 1 39 39 SER HA H 1 4.518 0.002 . 1 . . . . 36 SER HA . 16066 1 474 . 1 1 39 39 SER HB2 H 1 3.82 0.001 . 2 . . . . 36 SER HB2 . 16066 1 475 . 1 1 39 39 SER HB3 H 1 3.72 0.005 . 2 . . . . 36 SER HB3 . 16066 1 476 . 1 1 39 39 SER CA C 13 55.553 0 . 1 . . . . 36 SER CA . 16066 1 477 . 1 1 39 39 SER CB C 13 61.92 0 . 1 . . . . 36 SER CB . 16066 1 478 . 1 1 39 39 SER N N 15 109.128 0 . 1 . . . . 36 SER N . 16066 1 479 . 1 1 40 40 PRO HA H 1 4.363 0.002 . 1 . . . . 37 PRO HA . 16066 1 480 . 1 1 40 40 PRO HB2 H 1 1.56 0.005 . 2 . . . . 37 PRO HB2 . 16066 1 481 . 1 1 40 40 PRO HB3 H 1 1.343 0.007 . 2 . . . . 37 PRO HB3 . 16066 1 482 . 1 1 40 40 PRO HD2 H 1 3.359 0.001 . 2 . . . . 37 PRO HD2 . 16066 1 483 . 1 1 40 40 PRO HD3 H 1 2.964 0.004 . 2 . . . . 37 PRO HD3 . 16066 1 484 . 1 1 40 40 PRO HG2 H 1 0.911 0.001 . 2 . . . . 37 PRO HG2 . 16066 1 485 . 1 1 40 40 PRO HG3 H 1 0.335 0.002 . 2 . . . . 37 PRO HG3 . 16066 1 486 . 1 1 40 40 PRO C C 13 177.879 0 . 1 . . . . 37 PRO C . 16066 1 487 . 1 1 40 40 PRO CA C 13 64.705 0 . 1 . . . . 37 PRO CA . 16066 1 488 . 1 1 40 40 PRO CB C 13 32.669 0 . 1 . . . . 37 PRO CB . 16066 1 489 . 1 1 40 40 PRO CD C 13 49.822 0 . 1 . . . . 37 PRO CD . 16066 1 490 . 1 1 40 40 PRO CG C 13 25.358 0.002 . 1 . . . . 37 PRO CG . 16066 1 491 . 1 1 41 41 ARG H H 1 8.299 0.002 . 1 . . . . 38 ARG H . 16066 1 492 . 1 1 41 41 ARG HA H 1 3.183 0.001 . 1 . . . . 38 ARG HA . 16066 1 493 . 1 1 41 41 ARG HB2 H 1 1.49 0.001 . 2 . . . . 38 ARG HB2 . 16066 1 494 . 1 1 41 41 ARG HB3 H 1 1.224 0.001 . 2 . . . . 38 ARG HB3 . 16066 1 495 . 1 1 41 41 ARG HD2 H 1 3.329 0 . 2 . . . . 38 ARG HD2 . 16066 1 496 . 1 1 41 41 ARG HD3 H 1 3.19 0 . 2 . . . . 38 ARG HD3 . 16066 1 497 . 1 1 41 41 ARG HG2 H 1 1.877 0 . 2 . . . . 38 ARG HG2 . 16066 1 498 . 1 1 41 41 ARG HG3 H 1 1.523 0 . 2 . . . . 38 ARG HG3 . 16066 1 499 . 1 1 41 41 ARG C C 13 174.217 0 . 1 . . . . 38 ARG C . 16066 1 500 . 1 1 41 41 ARG CA C 13 56.014 0 . 1 . . . . 38 ARG CA . 16066 1 501 . 1 1 41 41 ARG CB C 13 29.571 0 . 1 . . . . 38 ARG CB . 16066 1 502 . 1 1 41 41 ARG CD C 13 43.353 0 . 1 . . . . 38 ARG CD . 16066 1 503 . 1 1 41 41 ARG CG C 13 27.5 0 . 1 . . . . 38 ARG CG . 16066 1 504 . 1 1 41 41 ARG N N 15 121.121 0.01 . 1 . . . . 38 ARG N . 16066 1 505 . 1 1 42 42 ILE H H 1 5.995 0.002 . 1 . . . . 39 ILE H . 16066 1 506 . 1 1 42 42 ILE HA H 1 4.177 0.003 . 1 . . . . 39 ILE HA . 16066 1 507 . 1 1 42 42 ILE HB H 1 1.738 0.002 . 1 . . . . 39 ILE HB . 16066 1 508 . 1 1 42 42 ILE HD11 H 1 0.876 0.001 . 1 . . . . 39 ILE QD1 . 16066 1 509 . 1 1 42 42 ILE HD12 H 1 0.876 0.001 . 1 . . . . 39 ILE QD1 . 16066 1 510 . 1 1 42 42 ILE HD13 H 1 0.876 0.001 . 1 . . . . 39 ILE QD1 . 16066 1 511 . 1 1 42 42 ILE HG12 H 1 1.279 0.001 . 2 . . . . 39 ILE HG12 . 16066 1 512 . 1 1 42 42 ILE HG13 H 1 1.387 0.002 . 2 . . . . 39 ILE HG13 . 16066 1 513 . 1 1 42 42 ILE HG21 H 1 0.955 0.002 . 1 . . . . 39 ILE QG2 . 16066 1 514 . 1 1 42 42 ILE HG22 H 1 0.955 0.002 . 1 . . . . 39 ILE QG2 . 16066 1 515 . 1 1 42 42 ILE HG23 H 1 0.955 0.002 . 1 . . . . 39 ILE QG2 . 16066 1 516 . 1 1 42 42 ILE C C 13 176.295 0 . 1 . . . . 39 ILE C . 16066 1 517 . 1 1 42 42 ILE CA C 13 59.389 0 . 1 . . . . 39 ILE CA . 16066 1 518 . 1 1 42 42 ILE CB C 13 39.138 0 . 1 . . . . 39 ILE CB . 16066 1 519 . 1 1 42 42 ILE CD1 C 13 13.262 0 . 1 . . . . 39 ILE CD1 . 16066 1 520 . 1 1 42 42 ILE CG1 C 13 26.763 0 . 1 . . . . 39 ILE CG1 . 16066 1 521 . 1 1 42 42 ILE CG2 C 13 18.035 0 . 1 . . . . 39 ILE CG2 . 16066 1 522 . 1 1 42 42 ILE N N 15 128.247 0.006 . 1 . . . . 39 ILE N . 16066 1 523 . 1 1 43 43 GLU H H 1 8.893 0.003 . 1 . . . . 40 GLU H . 16066 1 524 . 1 1 43 43 GLU HA H 1 4.174 0.003 . 1 . . . . 40 GLU HA . 16066 1 525 . 1 1 43 43 GLU HB2 H 1 2.14 0 . 2 . . . . 40 GLU HB2 . 16066 1 526 . 1 1 43 43 GLU HB3 H 1 2.11 0 . 2 . . . . 40 GLU HB3 . 16066 1 527 . 1 1 43 43 GLU HG2 H 1 2.4 0 . 2 . . . . 40 GLU QG . 16066 1 528 . 1 1 43 43 GLU HG3 H 1 2.4 0 . 2 . . . . 40 GLU QG . 16066 1 529 . 1 1 43 43 GLU C C 13 178.918 0 . 1 . . . . 40 GLU C . 16066 1 530 . 1 1 43 43 GLU CA C 13 60.336 0 . 1 . . . . 40 GLU CA . 16066 1 531 . 1 1 43 43 GLU CB C 13 29.1 0 . 1 . . . . 40 GLU CB . 16066 1 532 . 1 1 43 43 GLU CG C 13 35.4 0 . 1 . . . . 40 GLU CG . 16066 1 533 . 1 1 43 43 GLU N N 15 130.055 0.002 . 1 . . . . 40 GLU N . 16066 1 534 . 1 1 44 44 ALA H H 1 8.851 0.001 . 1 . . . . 41 ALA H . 16066 1 535 . 1 1 44 44 ALA HA H 1 4.222 0.003 . 1 . . . . 41 ALA HA . 16066 1 536 . 1 1 44 44 ALA HB1 H 1 1.407 0 . 1 . . . . 41 ALA QB . 16066 1 537 . 1 1 44 44 ALA HB2 H 1 1.407 0 . 1 . . . . 41 ALA QB . 16066 1 538 . 1 1 44 44 ALA HB3 H 1 1.407 0 . 1 . . . . 41 ALA QB . 16066 1 539 . 1 1 44 44 ALA C C 13 178.069 0 . 1 . . . . 41 ALA C . 16066 1 540 . 1 1 44 44 ALA CA C 13 54.148 0 . 1 . . . . 41 ALA CA . 16066 1 541 . 1 1 44 44 ALA CB C 13 18.606 0 . 1 . . . . 41 ALA CB . 16066 1 542 . 1 1 44 44 ALA N N 15 119.773 0.001 . 1 . . . . 41 ALA N . 16066 1 543 . 1 1 45 45 ASN H H 1 8.176 0.001 . 1 . . . . 42 ASN H . 16066 1 544 . 1 1 45 45 ASN HA H 1 5.046 0.002 . 1 . . . . 42 ASN HA . 16066 1 545 . 1 1 45 45 ASN HB2 H 1 4.008 0 . 2 . . . . 42 ASN HB2 . 16066 1 546 . 1 1 45 45 ASN HB3 H 1 2.924 0.001 . 2 . . . . 42 ASN HB3 . 16066 1 547 . 1 1 45 45 ASN HD21 H 1 7.407 0.001 . 2 . . . . 42 ASN HD21 . 16066 1 548 . 1 1 45 45 ASN HD22 H 1 7.098 0.003 . 2 . . . . 42 ASN HD22 . 16066 1 549 . 1 1 45 45 ASN C C 13 174.521 0 . 1 . . . . 42 ASN C . 16066 1 550 . 1 1 45 45 ASN CA C 13 51.495 0 . 1 . . . . 42 ASN CA . 16066 1 551 . 1 1 45 45 ASN CB C 13 38.853 0 . 1 . . . . 42 ASN CB . 16066 1 552 . 1 1 45 45 ASN N N 15 114.425 0.002 . 1 . . . . 42 ASN N . 16066 1 553 . 1 1 45 45 ASN ND2 N 15 111.051 0.032 . 1 . . . . 42 ASN ND2 . 16066 1 554 . 1 1 46 46 LYS H H 1 7.524 0.002 . 1 . . . . 43 LYS H . 16066 1 555 . 1 1 46 46 LYS HA H 1 3.769 0.002 . 1 . . . . 43 LYS HA . 16066 1 556 . 1 1 46 46 LYS HB2 H 1 1.771 0.003 . 2 . . . . 43 LYS HB2 . 16066 1 557 . 1 1 46 46 LYS HB3 H 1 1.718 0.002 . 2 . . . . 43 LYS HB3 . 16066 1 558 . 1 1 46 46 LYS HD2 H 1 1.621 0.001 . 2 . . . . 43 LYS HD2 . 16066 1 559 . 1 1 46 46 LYS HD3 H 1 1.598 0.003 . 2 . . . . 43 LYS HD3 . 16066 1 560 . 1 1 46 46 LYS HE2 H 1 2.968 0.001 . 2 . . . . 43 LYS QE . 16066 1 561 . 1 1 46 46 LYS HE3 H 1 2.968 0.001 . 2 . . . . 43 LYS QE . 16066 1 562 . 1 1 46 46 LYS HG2 H 1 1.344 0.001 . 2 . . . . 43 LYS HG2 . 16066 1 563 . 1 1 46 46 LYS HG3 H 1 0.935 0.003 . 2 . . . . 43 LYS HG3 . 16066 1 564 . 1 1 46 46 LYS C C 13 176.143 0 . 1 . . . . 43 LYS C . 16066 1 565 . 1 1 46 46 LYS CA C 13 56.858 0 . 1 . . . . 43 LYS CA . 16066 1 566 . 1 1 46 46 LYS CB C 13 33.232 0 . 1 . . . . 43 LYS CB . 16066 1 567 . 1 1 46 46 LYS CD C 13 28.731 0 . 1 . . . . 43 LYS CD . 16066 1 568 . 1 1 46 46 LYS CE C 13 41.669 0 . 1 . . . . 43 LYS CE . 16066 1 569 . 1 1 46 46 LYS CG C 13 23.95 0 . 1 . . . . 43 LYS CG . 16066 1 570 . 1 1 46 46 LYS N N 15 122.393 0.006 . 1 . . . . 43 LYS N . 16066 1 571 . 1 1 47 47 LEU H H 1 7.982 0.002 . 1 . . . . 44 LEU H . 16066 1 572 . 1 1 47 47 LEU HA H 1 4.374 0 . 1 . . . . 44 LEU HA . 16066 1 573 . 1 1 47 47 LEU HB2 H 1 1.38 0.001 . 2 . . . . 44 LEU HB2 . 16066 1 574 . 1 1 47 47 LEU HB3 H 1 1.131 0 . 2 . . . . 44 LEU HB3 . 16066 1 575 . 1 1 47 47 LEU HD11 H 1 0.648 0.001 . 2 . . . . 44 LEU QD1 . 16066 1 576 . 1 1 47 47 LEU HD12 H 1 0.648 0.001 . 2 . . . . 44 LEU QD1 . 16066 1 577 . 1 1 47 47 LEU HD13 H 1 0.648 0.001 . 2 . . . . 44 LEU QD1 . 16066 1 578 . 1 1 47 47 LEU HD21 H 1 0.626 0.003 . 2 . . . . 44 LEU QD2 . 16066 1 579 . 1 1 47 47 LEU HD22 H 1 0.626 0.003 . 2 . . . . 44 LEU QD2 . 16066 1 580 . 1 1 47 47 LEU HD23 H 1 0.626 0.003 . 2 . . . . 44 LEU QD2 . 16066 1 581 . 1 1 47 47 LEU HG H 1 1.372 0 . 1 . . . . 44 LEU HG . 16066 1 582 . 1 1 47 47 LEU C C 13 176.143 0 . 1 . . . . 44 LEU C . 16066 1 583 . 1 1 47 47 LEU CA C 13 53.746 0 . 1 . . . . 44 LEU CA . 16066 1 584 . 1 1 47 47 LEU CB C 13 41.951 0 . 1 . . . . 44 LEU CB . 16066 1 585 . 1 1 47 47 LEU CD1 C 13 24.721 0 . 2 . . . . 44 LEU CD1 . 16066 1 586 . 1 1 47 47 LEU CD2 C 13 26.189 0 . 2 . . . . 44 LEU CD2 . 16066 1 587 . 1 1 47 47 LEU CG C 13 27.606 0 . 1 . . . . 44 LEU CG . 16066 1 588 . 1 1 47 47 LEU N N 15 127.624 0.004 . 1 . . . . 44 LEU N . 16066 1 589 . 1 1 48 48 ARG H H 1 8.549 0.002 . 1 . . . . 45 ARG H . 16066 1 590 . 1 1 48 48 ARG HA H 1 4.346 0 . 1 . . . . 45 ARG HA . 16066 1 591 . 1 1 48 48 ARG HB2 H 1 1.92 0.001 . 2 . . . . 45 ARG HB2 . 16066 1 592 . 1 1 48 48 ARG HB3 H 1 1.78 0.001 . 2 . . . . 45 ARG HB3 . 16066 1 593 . 1 1 48 48 ARG HD2 H 1 3.189 0.001 . 2 . . . . 45 ARG QD . 16066 1 594 . 1 1 48 48 ARG HD3 H 1 3.189 0.001 . 2 . . . . 45 ARG QD . 16066 1 595 . 1 1 48 48 ARG HG2 H 1 1.65 0 . 2 . . . . 45 ARG HG2 . 16066 1 596 . 1 1 48 48 ARG HG3 H 1 1.539 0.001 . 2 . . . . 45 ARG HG3 . 16066 1 597 . 1 1 48 48 ARG CA C 13 55.8 0 . 1 . . . . 45 ARG CA . 16066 1 598 . 1 1 48 48 ARG CB C 13 31.263 0 . 1 . . . . 45 ARG CB . 16066 1 599 . 1 1 48 48 ARG CD C 13 43.3 0 . 1 . . . . 45 ARG CD . 16066 1 600 . 1 1 48 48 ARG CG C 13 27.044 0 . 1 . . . . 45 ARG CG . 16066 1 601 . 1 1 48 48 ARG N N 15 125.873 0.014 . 1 . . . . 45 ARG N . 16066 1 602 . 1 1 49 49 GLY H H 1 8.8 0.001 . 1 . . . . 46 GLY H . 16066 1 603 . 1 1 49 49 GLY HA2 H 1 3.76 0 . 2 . . . . 46 GLY HA2 . 16066 1 604 . 1 1 49 49 GLY HA3 H 1 4.07 0 . 2 . . . . 46 GLY HA3 . 16066 1 605 . 1 1 49 49 GLY C C 13 173.482 0 . 1 . . . . 46 GLY C . 16066 1 606 . 1 1 49 49 GLY CA C 13 45.326 0 . 1 . . . . 46 GLY CA . 16066 1 607 . 1 1 49 49 GLY N N 15 111.98 0 . 1 . . . . 46 GLY N . 16066 1 608 . 1 1 50 50 MET H H 1 7.272 0.002 . 1 . . . . 47 MET H . 16066 1 609 . 1 1 50 50 MET HA H 1 4.921 0.001 . 1 . . . . 47 MET HA . 16066 1 610 . 1 1 50 50 MET HB2 H 1 2.029 0.003 . 2 . . . . 47 MET HB2 . 16066 1 611 . 1 1 50 50 MET HB3 H 1 1.801 0.002 . 2 . . . . 47 MET HB3 . 16066 1 612 . 1 1 50 50 MET HE1 H 1 1.944 0 . 1 . . . . 47 MET QE . 16066 1 613 . 1 1 50 50 MET HE2 H 1 1.944 0 . 1 . . . . 47 MET QE . 16066 1 614 . 1 1 50 50 MET HE3 H 1 1.944 0 . 1 . . . . 47 MET QE . 16066 1 615 . 1 1 50 50 MET HG2 H 1 2.324 0.002 . 2 . . . . 47 MET HG2 . 16066 1 616 . 1 1 50 50 MET HG3 H 1 2.363 0.003 . 2 . . . . 47 MET HG3 . 16066 1 617 . 1 1 50 50 MET CA C 13 52.049 0 . 1 . . . . 47 MET CA . 16066 1 618 . 1 1 50 50 MET CB C 13 33.794 0 . 1 . . . . 47 MET CB . 16066 1 619 . 1 1 50 50 MET CE C 13 17.478 0 . 1 . . . . 47 MET CE . 16066 1 620 . 1 1 50 50 MET CG C 13 31.825 0 . 1 . . . . 47 MET CG . 16066 1 621 . 1 1 50 50 MET N N 15 119.077 0 . 1 . . . . 47 MET N . 16066 1 622 . 1 1 51 51 PRO HA H 1 4.294 0 . 1 . . . . 48 PRO HA . 16066 1 623 . 1 1 51 51 PRO HB2 H 1 2.246 0.001 . 2 . . . . 48 PRO HB2 . 16066 1 624 . 1 1 51 51 PRO HB3 H 1 1.959 0.002 . 2 . . . . 48 PRO HB3 . 16066 1 625 . 1 1 51 51 PRO HD2 H 1 3.716 0.001 . 2 . . . . 48 PRO HD2 . 16066 1 626 . 1 1 51 51 PRO HD3 H 1 3.675 0.002 . 2 . . . . 48 PRO HD3 . 16066 1 627 . 1 1 51 51 PRO HG2 H 1 2.109 0.001 . 2 . . . . 48 PRO HG2 . 16066 1 628 . 1 1 51 51 PRO HG3 H 1 2.002 0.001 . 2 . . . . 48 PRO HG3 . 16066 1 629 . 1 1 51 51 PRO C C 13 176.46 0 . 1 . . . . 48 PRO C . 16066 1 630 . 1 1 51 51 PRO CA C 13 63.879 0 . 1 . . . . 48 PRO CA . 16066 1 631 . 1 1 51 51 PRO CB C 13 31.825 0 . 1 . . . . 48 PRO CB . 16066 1 632 . 1 1 51 51 PRO CD C 13 50.389 0 . 1 . . . . 48 PRO CD . 16066 1 633 . 1 1 51 51 PRO CG C 13 27.325 0 . 1 . . . . 48 PRO CG . 16066 1 634 . 1 1 52 52 ASP H H 1 8.661 0.001 . 1 . . . . 49 ASP H . 16066 1 635 . 1 1 52 52 ASP HA H 1 4.487 0.004 . 1 . . . . 49 ASP HA . 16066 1 636 . 1 1 52 52 ASP HB2 H 1 3.097 0.004 . 2 . . . . 49 ASP HB2 . 16066 1 637 . 1 1 52 52 ASP HB3 H 1 3.694 0.003 . 2 . . . . 49 ASP HB3 . 16066 1 638 . 1 1 52 52 ASP C C 13 174.065 0 . 1 . . . . 49 ASP C . 16066 1 639 . 1 1 52 52 ASP CA C 13 56.042 0 . 1 . . . . 49 ASP CA . 16066 1 640 . 1 1 52 52 ASP CB C 13 41.107 0 . 1 . . . . 49 ASP CB . 16066 1 641 . 1 1 52 52 ASP N N 15 116.477 0.001 . 1 . . . . 49 ASP N . 16066 1 642 . 1 1 53 53 CYS H H 1 7.575 0.003 . 1 . . . . 50 CYS H . 16066 1 643 . 1 1 53 53 CYS HA H 1 5.835 0.003 . 1 . . . . 50 CYS HA . 16066 1 644 . 1 1 53 53 CYS HB2 H 1 2.741 0.002 . 2 . . . . 50 CYS HB2 . 16066 1 645 . 1 1 53 53 CYS HB3 H 1 2.171 0.004 . 2 . . . . 50 CYS HB3 . 16066 1 646 . 1 1 53 53 CYS C C 13 173.444 0 . 1 . . . . 50 CYS C . 16066 1 647 . 1 1 53 53 CYS CA C 13 58.11 0 . 1 . . . . 50 CYS CA . 16066 1 648 . 1 1 53 53 CYS CB C 13 30.7 0 . 1 . . . . 50 CYS CB . 16066 1 649 . 1 1 53 53 CYS N N 15 114.414 0.007 . 1 . . . . 50 CYS N . 16066 1 650 . 1 1 54 54 TYR H H 1 8.806 0.003 . 1 . . . . 51 TYR H . 16066 1 651 . 1 1 54 54 TYR HA H 1 4.737 0.005 . 1 . . . . 51 TYR HA . 16066 1 652 . 1 1 54 54 TYR HB2 H 1 1.496 0.003 . 2 . . . . 51 TYR HB2 . 16066 1 653 . 1 1 54 54 TYR HB3 H 1 2.48 0.005 . 2 . . . . 51 TYR HB3 . 16066 1 654 . 1 1 54 54 TYR HD1 H 1 6.836 0.007 . 3 . . . . 51 TYR QD . 16066 1 655 . 1 1 54 54 TYR HD2 H 1 6.836 0.007 . 3 . . . . 51 TYR QD . 16066 1 656 . 1 1 54 54 TYR HE1 H 1 6.496 0.014 . 3 . . . . 51 TYR QE . 16066 1 657 . 1 1 54 54 TYR HE2 H 1 6.496 0.014 . 3 . . . . 51 TYR QE . 16066 1 658 . 1 1 54 54 TYR C C 13 172.95 0 . 1 . . . . 51 TYR C . 16066 1 659 . 1 1 54 54 TYR CA C 13 56.066 0 . 1 . . . . 51 TYR CA . 16066 1 660 . 1 1 54 54 TYR CB C 13 42.794 0 . 1 . . . . 51 TYR CB . 16066 1 661 . 1 1 54 54 TYR N N 15 120.858 0.002 . 1 . . . . 51 TYR N . 16066 1 662 . 1 1 55 55 LYS H H 1 8.425 0.003 . 1 . . . . 52 LYS H . 16066 1 663 . 1 1 55 55 LYS HA H 1 5.687 0.001 . 1 . . . . 52 LYS HA . 16066 1 664 . 1 1 55 55 LYS HB2 H 1 1.699 0.001 . 2 . . . . 52 LYS HB2 . 16066 1 665 . 1 1 55 55 LYS HB3 H 1 1.657 0 . 2 . . . . 52 LYS HB3 . 16066 1 666 . 1 1 55 55 LYS HD2 H 1 1.623 0.001 . 2 . . . . 52 LYS HD2 . 16066 1 667 . 1 1 55 55 LYS HD3 H 1 1.599 0.003 . 2 . . . . 52 LYS HD3 . 16066 1 668 . 1 1 55 55 LYS HE2 H 1 2.904 0.001 . 2 . . . . 52 LYS HE2 . 16066 1 669 . 1 1 55 55 LYS HE3 H 1 2.868 0.002 . 2 . . . . 52 LYS HE3 . 16066 1 670 . 1 1 55 55 LYS HG2 H 1 1.442 0.003 . 2 . . . . 52 LYS HG2 . 16066 1 671 . 1 1 55 55 LYS HG3 H 1 1.288 0.002 . 2 . . . . 52 LYS HG3 . 16066 1 672 . 1 1 55 55 LYS C C 13 176.498 0 . 1 . . . . 52 LYS C . 16066 1 673 . 1 1 55 55 LYS CA C 13 53.291 0 . 1 . . . . 52 LYS CA . 16066 1 674 . 1 1 55 55 LYS CB C 13 36.325 0 . 1 . . . . 52 LYS CB . 16066 1 675 . 1 1 55 55 LYS CD C 13 29.575 0 . 1 . . . . 52 LYS CD . 16066 1 676 . 1 1 55 55 LYS CE C 13 41.95 0 . 1 . . . . 52 LYS CE . 16066 1 677 . 1 1 55 55 LYS CG C 13 23.95 0 . 1 . . . . 52 LYS CG . 16066 1 678 . 1 1 55 55 LYS N N 15 115.794 0.009 . 1 . . . . 52 LYS N . 16066 1 679 . 1 1 56 56 ILE H H 1 9.187 0.002 . 1 . . . . 53 ILE H . 16066 1 680 . 1 1 56 56 ILE HA H 1 4.416 0.001 . 1 . . . . 53 ILE HA . 16066 1 681 . 1 1 56 56 ILE HB H 1 1.828 0.002 . 1 . . . . 53 ILE HB . 16066 1 682 . 1 1 56 56 ILE HD11 H 1 0.877 0.002 . 1 . . . . 53 ILE QD1 . 16066 1 683 . 1 1 56 56 ILE HD12 H 1 0.877 0.002 . 1 . . . . 53 ILE QD1 . 16066 1 684 . 1 1 56 56 ILE HD13 H 1 0.877 0.002 . 1 . . . . 53 ILE QD1 . 16066 1 685 . 1 1 56 56 ILE HG12 H 1 1.37 0.004 . 1 . . . . 53 ILE QG1 . 16066 1 686 . 1 1 56 56 ILE HG13 H 1 1.37 0.004 . 1 . . . . 53 ILE QG1 . 16066 1 687 . 1 1 56 56 ILE HG21 H 1 0.933 0.002 . 1 . . . . 53 ILE QG2 . 16066 1 688 . 1 1 56 56 ILE HG22 H 1 0.933 0.002 . 1 . . . . 53 ILE QG2 . 16066 1 689 . 1 1 56 56 ILE HG23 H 1 0.933 0.002 . 1 . . . . 53 ILE QG2 . 16066 1 690 . 1 1 56 56 ILE C C 13 174.572 0 . 1 . . . . 53 ILE C . 16066 1 691 . 1 1 56 56 ILE CA C 13 60.971 0 . 1 . . . . 53 ILE CA . 16066 1 692 . 1 1 56 56 ILE CB C 13 41.388 0 . 1 . . . . 53 ILE CB . 16066 1 693 . 1 1 56 56 ILE CD1 C 13 14.106 0 . 1 . . . . 53 ILE CD1 . 16066 1 694 . 1 1 56 56 ILE CG1 C 13 27.325 0 . 1 . . . . 53 ILE CG1 . 16066 1 695 . 1 1 56 56 ILE CG2 C 13 17.762 0 . 1 . . . . 53 ILE CG2 . 16066 1 696 . 1 1 56 56 ILE N N 15 120.315 0.001 . 1 . . . . 53 ILE N . 16066 1 697 . 1 1 57 57 LYS H H 1 8.755 0.003 . 1 . . . . 54 LYS H . 16066 1 698 . 1 1 57 57 LYS HA H 1 5.043 0 . 1 . . . . 54 LYS HA . 16066 1 699 . 1 1 57 57 LYS HB2 H 1 1.637 0.001 . 2 . . . . 54 LYS HB2 . 16066 1 700 . 1 1 57 57 LYS HB3 H 1 1.851 0 . 2 . . . . 54 LYS HB3 . 16066 1 701 . 1 1 57 57 LYS HD2 H 1 1.758 0 . 2 . . . . 54 LYS HD2 . 16066 1 702 . 1 1 57 57 LYS HD3 H 1 1.686 0.002 . 2 . . . . 54 LYS HD3 . 16066 1 703 . 1 1 57 57 LYS HE2 H 1 2.939 0.001 . 2 . . . . 54 LYS QE . 16066 1 704 . 1 1 57 57 LYS HE3 H 1 2.939 0.001 . 2 . . . . 54 LYS QE . 16066 1 705 . 1 1 57 57 LYS HG2 H 1 1.331 0.002 . 2 . . . . 54 LYS HG2 . 16066 1 706 . 1 1 57 57 LYS HG3 H 1 1.313 0.001 . 2 . . . . 54 LYS HG3 . 16066 1 707 . 1 1 57 57 LYS C C 13 175.193 0 . 1 . . . . 54 LYS C . 16066 1 708 . 1 1 57 57 LYS CA C 13 54.359 0 . 1 . . . . 54 LYS CA . 16066 1 709 . 1 1 57 57 LYS CB C 13 35.482 0 . 1 . . . . 54 LYS CB . 16066 1 710 . 1 1 57 57 LYS CD C 13 29.294 0 . 1 . . . . 54 LYS CD . 16066 1 711 . 1 1 57 57 LYS CE C 13 41.669 0 . 1 . . . . 54 LYS CE . 16066 1 712 . 1 1 57 57 LYS CG C 13 24.794 0 . 1 . . . . 54 LYS CG . 16066 1 713 . 1 1 57 57 LYS N N 15 125.616 0.002 . 1 . . . . 54 LYS N . 16066 1 714 . 1 1 58 58 LEU H H 1 8.449 0.003 . 1 . . . . 55 LEU H . 16066 1 715 . 1 1 58 58 LEU HA H 1 4.796 0.001 . 1 . . . . 55 LEU HA . 16066 1 716 . 1 1 58 58 LEU HB2 H 1 1.875 0 . 2 . . . . 55 LEU HB2 . 16066 1 717 . 1 1 58 58 LEU HB3 H 1 1.777 0.001 . 2 . . . . 55 LEU HB3 . 16066 1 718 . 1 1 58 58 LEU HD11 H 1 0.981 0.002 . 2 . . . . 55 LEU QD1 . 16066 1 719 . 1 1 58 58 LEU HD12 H 1 0.981 0.002 . 2 . . . . 55 LEU QD1 . 16066 1 720 . 1 1 58 58 LEU HD13 H 1 0.981 0.002 . 2 . . . . 55 LEU QD1 . 16066 1 721 . 1 1 58 58 LEU HD21 H 1 0.88 0.002 . 2 . . . . 55 LEU QD2 . 16066 1 722 . 1 1 58 58 LEU HD22 H 1 0.88 0.002 . 2 . . . . 55 LEU QD2 . 16066 1 723 . 1 1 58 58 LEU HD23 H 1 0.88 0.002 . 2 . . . . 55 LEU QD2 . 16066 1 724 . 1 1 58 58 LEU HG H 1 1.63 0.001 . 1 . . . . 55 LEU HG . 16066 1 725 . 1 1 58 58 LEU CA C 13 53.201 0 . 1 . . . . 55 LEU CA . 16066 1 726 . 1 1 58 58 LEU CB C 13 41.669 0 . 1 . . . . 55 LEU CB . 16066 1 727 . 1 1 58 58 LEU CD1 C 13 26.2 0 . 2 . . . . 55 LEU CD1 . 16066 1 728 . 1 1 58 58 LEU CD2 C 13 23.252 0 . 2 . . . . 55 LEU CD2 . 16066 1 729 . 1 1 58 58 LEU CG C 13 26.763 0 . 1 . . . . 55 LEU CG . 16066 1 730 . 1 1 58 58 LEU N N 15 124.214 0.008 . 1 . . . . 55 LEU N . 16066 1 731 . 1 1 59 59 ARG HA H 1 4.008 0.002 . 1 . . . . 56 ARG HA . 16066 1 732 . 1 1 59 59 ARG HB2 H 1 1.764 0.001 . 2 . . . . 56 ARG HB2 . 16066 1 733 . 1 1 59 59 ARG HB3 H 1 1.731 0.001 . 2 . . . . 56 ARG HB3 . 16066 1 734 . 1 1 59 59 ARG HD2 H 1 3.168 0.006 . 2 . . . . 56 ARG QD . 16066 1 735 . 1 1 59 59 ARG HD3 H 1 3.168 0.006 . 2 . . . . 56 ARG QD . 16066 1 736 . 1 1 59 59 ARG HG2 H 1 1.68 0.001 . 2 . . . . 56 ARG HG2 . 16066 1 737 . 1 1 59 59 ARG HG3 H 1 1.541 0.002 . 2 . . . . 56 ARG HG3 . 16066 1 738 . 1 1 59 59 ARG CA C 13 57.42 0 . 1 . . . . 56 ARG CA . 16066 1 739 . 1 1 59 59 ARG CB C 13 29.575 0 . 1 . . . . 56 ARG CB . 16066 1 740 . 1 1 59 59 ARG CD C 13 43.076 0 . 1 . . . . 56 ARG CD . 16066 1 741 . 1 1 59 59 ARG CG C 13 27.044 0 . 1 . . . . 56 ARG CG . 16066 1 742 . 1 1 60 60 SER HA H 1 4.246 0.001 . 1 . . . . 57 SER HA . 16066 1 743 . 1 1 60 60 SER HB2 H 1 3.927 0.004 . 2 . . . . 57 SER HB2 . 16066 1 744 . 1 1 60 60 SER HB3 H 1 3.88 0 . 2 . . . . 57 SER HB3 . 16066 1 745 . 1 1 60 60 SER CA C 13 59.798 0 . 1 . . . . 57 SER CA . 16066 1 746 . 1 1 60 60 SER CB C 13 63.045 0 . 1 . . . . 57 SER CB . 16066 1 747 . 1 1 61 61 SER HA H 1 4.616 0.005 . 1 . . . . 58 SER HA . 16066 1 748 . 1 1 61 61 SER HB2 H 1 4.079 0.001 . 2 . . . . 58 SER HB2 . 16066 1 749 . 1 1 61 61 SER HB3 H 1 3.97 0.002 . 2 . . . . 58 SER HB3 . 16066 1 750 . 1 1 61 61 SER C C 13 175.155 0 . 1 . . . . 58 SER C . 16066 1 751 . 1 1 61 61 SER CA C 13 58.01 0 . 1 . . . . 58 SER CA . 16066 1 752 . 1 1 61 61 SER CB C 13 64.452 0 . 1 . . . . 58 SER CB . 16066 1 753 . 1 1 62 62 GLY H H 1 8.217 0.003 . 1 . . . . 59 GLY H . 16066 1 754 . 1 1 62 62 GLY HA2 H 1 3.926 0 . 2 . . . . 59 GLY HA2 . 16066 1 755 . 1 1 62 62 GLY HA3 H 1 4.01 0 . 2 . . . . 59 GLY HA3 . 16066 1 756 . 1 1 62 62 GLY C C 13 174.407 0 . 1 . . . . 59 GLY C . 16066 1 757 . 1 1 62 62 GLY CA C 13 45.888 0 . 1 . . . . 59 GLY CA . 16066 1 758 . 1 1 62 62 GLY N N 15 109.272 0.008 . 1 . . . . 59 GLY N . 16066 1 759 . 1 1 63 63 TYR H H 1 7.463 0.002 . 1 . . . . 60 TYR H . 16066 1 760 . 1 1 63 63 TYR HA H 1 4.629 0.001 . 1 . . . . 60 TYR HA . 16066 1 761 . 1 1 63 63 TYR HB2 H 1 2.657 0.003 . 2 . . . . 60 TYR HB2 . 16066 1 762 . 1 1 63 63 TYR HB3 H 1 2.74 0.001 . 2 . . . . 60 TYR HB3 . 16066 1 763 . 1 1 63 63 TYR HD1 H 1 6.973 0.004 . 3 . . . . 60 TYR QD . 16066 1 764 . 1 1 63 63 TYR HD2 H 1 6.973 0.004 . 3 . . . . 60 TYR QD . 16066 1 765 . 1 1 63 63 TYR HE1 H 1 6.854 0.006 . 3 . . . . 60 TYR QE . 16066 1 766 . 1 1 63 63 TYR HE2 H 1 6.854 0.006 . 3 . . . . 60 TYR QE . 16066 1 767 . 1 1 63 63 TYR C C 13 175.117 0 . 1 . . . . 60 TYR C . 16066 1 768 . 1 1 63 63 TYR CA C 13 59.857 0 . 1 . . . . 60 TYR CA . 16066 1 769 . 1 1 63 63 TYR CB C 13 41.388 0 . 1 . . . . 60 TYR CB . 16066 1 770 . 1 1 63 63 TYR N N 15 117.638 0 . 1 . . . . 60 TYR N . 16066 1 771 . 1 1 64 64 ARG H H 1 9.261 0.003 . 1 . . . . 61 ARG H . 16066 1 772 . 1 1 64 64 ARG HA H 1 5.458 0.002 . 1 . . . . 61 ARG HA . 16066 1 773 . 1 1 64 64 ARG HB2 H 1 1.787 0.001 . 2 . . . . 61 ARG HB2 . 16066 1 774 . 1 1 64 64 ARG HB3 H 1 1.768 0.001 . 2 . . . . 61 ARG HB3 . 16066 1 775 . 1 1 64 64 ARG HD2 H 1 3.205 0.002 . 2 . . . . 61 ARG HD2 . 16066 1 776 . 1 1 64 64 ARG HD3 H 1 3.005 0 . 2 . . . . 61 ARG HD3 . 16066 1 777 . 1 1 64 64 ARG HG2 H 1 1.629 0.002 . 2 . . . . 61 ARG HG2 . 16066 1 778 . 1 1 64 64 ARG HG3 H 1 1.538 0.002 . 2 . . . . 61 ARG HG3 . 16066 1 779 . 1 1 64 64 ARG C C 13 173.596 0 . 1 . . . . 61 ARG C . 16066 1 780 . 1 1 64 64 ARG CA C 13 53.88 0 . 1 . . . . 61 ARG CA . 16066 1 781 . 1 1 64 64 ARG CB C 13 34.357 0 . 1 . . . . 61 ARG CB . 16066 1 782 . 1 1 64 64 ARG CD C 13 43.638 0 . 1 . . . . 61 ARG CD . 16066 1 783 . 1 1 64 64 ARG CG C 13 27.044 0 . 1 . . . . 61 ARG CG . 16066 1 784 . 1 1 64 64 ARG N N 15 119.605 0.006 . 1 . . . . 61 ARG N . 16066 1 785 . 1 1 65 65 LEU H H 1 9.085 0.002 . 1 . . . . 62 LEU H . 16066 1 786 . 1 1 65 65 LEU HA H 1 5.432 0.001 . 1 . . . . 62 LEU HA . 16066 1 787 . 1 1 65 65 LEU HB2 H 1 1.908 0.001 . 2 . . . . 62 LEU HB2 . 16066 1 788 . 1 1 65 65 LEU HB3 H 1 1.74 0.003 . 2 . . . . 62 LEU HB3 . 16066 1 789 . 1 1 65 65 LEU HD11 H 1 1.077 0.001 . 2 . . . . 62 LEU QD1 . 16066 1 790 . 1 1 65 65 LEU HD12 H 1 1.077 0.001 . 2 . . . . 62 LEU QD1 . 16066 1 791 . 1 1 65 65 LEU HD13 H 1 1.077 0.001 . 2 . . . . 62 LEU QD1 . 16066 1 792 . 1 1 65 65 LEU HD21 H 1 0.999 0.002 . 2 . . . . 62 LEU QD2 . 16066 1 793 . 1 1 65 65 LEU HD22 H 1 0.999 0.002 . 2 . . . . 62 LEU QD2 . 16066 1 794 . 1 1 65 65 LEU HD23 H 1 0.999 0.002 . 2 . . . . 62 LEU QD2 . 16066 1 795 . 1 1 65 65 LEU HG H 1 2.076 0.005 . 1 . . . . 62 LEU HG . 16066 1 796 . 1 1 65 65 LEU C C 13 174.534 0 . 1 . . . . 62 LEU C . 16066 1 797 . 1 1 65 65 LEU CA C 13 53.795 0 . 1 . . . . 62 LEU CA . 16066 1 798 . 1 1 65 65 LEU CB C 13 46.732 0 . 1 . . . . 62 LEU CB . 16066 1 799 . 1 1 65 65 LEU CD1 C 13 28.169 0 . 2 . . . . 62 LEU CD1 . 16066 1 800 . 1 1 65 65 LEU CD2 C 13 26.763 0 . 2 . . . . 62 LEU CD2 . 16066 1 801 . 1 1 65 65 LEU CG C 13 27.044 0 . 1 . . . . 62 LEU CG . 16066 1 802 . 1 1 65 65 LEU N N 15 125.189 0.001 . 1 . . . . 62 LEU N . 16066 1 803 . 1 1 66 66 VAL H H 1 9.058 0.002 . 1 . . . . 63 VAL H . 16066 1 804 . 1 1 66 66 VAL HA H 1 4.991 0.001 . 1 . . . . 63 VAL HA . 16066 1 805 . 1 1 66 66 VAL HB H 1 1.922 0.001 . 1 . . . . 63 VAL HB . 16066 1 806 . 1 1 66 66 VAL HG11 H 1 0.742 0.001 . 2 . . . . 63 VAL QG1 . 16066 1 807 . 1 1 66 66 VAL HG12 H 1 0.742 0.001 . 2 . . . . 63 VAL QG1 . 16066 1 808 . 1 1 66 66 VAL HG13 H 1 0.742 0.001 . 2 . . . . 63 VAL QG1 . 16066 1 809 . 1 1 66 66 VAL HG21 H 1 0.815 0.002 . 2 . . . . 63 VAL QG2 . 16066 1 810 . 1 1 66 66 VAL HG22 H 1 0.815 0.002 . 2 . . . . 63 VAL QG2 . 16066 1 811 . 1 1 66 66 VAL HG23 H 1 0.815 0.002 . 2 . . . . 63 VAL QG2 . 16066 1 812 . 1 1 66 66 VAL C C 13 174.699 0 . 1 . . . . 63 VAL C . 16066 1 813 . 1 1 66 66 VAL CA C 13 60.795 0 . 1 . . . . 63 VAL CA . 16066 1 814 . 1 1 66 66 VAL CB C 13 34.075 0 . 1 . . . . 63 VAL CB . 16066 1 815 . 1 1 66 66 VAL CG1 C 13 21.419 0 . 2 . . . . 63 VAL CG1 . 16066 1 816 . 1 1 66 66 VAL CG2 C 13 21.419 0 . 2 . . . . 63 VAL CG2 . 16066 1 817 . 1 1 66 66 VAL N N 15 125.14 0.002 . 1 . . . . 63 VAL N . 16066 1 818 . 1 1 67 67 TYR H H 1 9.091 0.002 . 1 . . . . 64 TYR H . 16066 1 819 . 1 1 67 67 TYR HA H 1 5.659 0.001 . 1 . . . . 64 TYR HA . 16066 1 820 . 1 1 67 67 TYR HB2 H 1 2.66 0.001 . 2 . . . . 64 TYR HB2 . 16066 1 821 . 1 1 67 67 TYR HB3 H 1 2.31 0.001 . 2 . . . . 64 TYR HB3 . 16066 1 822 . 1 1 67 67 TYR HD1 H 1 6.557 0.006 . 3 . . . . 64 TYR QD . 16066 1 823 . 1 1 67 67 TYR HD2 H 1 6.557 0.006 . 3 . . . . 64 TYR QD . 16066 1 824 . 1 1 67 67 TYR HE1 H 1 6.298 0.007 . 3 . . . . 64 TYR QE . 16066 1 825 . 1 1 67 67 TYR HE2 H 1 6.298 0.007 . 3 . . . . 64 TYR QE . 16066 1 826 . 1 1 67 67 TYR C C 13 170.91 0 . 1 . . . . 64 TYR C . 16066 1 827 . 1 1 67 67 TYR CA C 13 54.286 0 . 1 . . . . 64 TYR CA . 16066 1 828 . 1 1 67 67 TYR CB C 13 41.951 0 . 1 . . . . 64 TYR CB . 16066 1 829 . 1 1 67 67 TYR N N 15 124.15 0.002 . 1 . . . . 64 TYR N . 16066 1 830 . 1 1 68 68 GLN H H 1 9.814 0.003 . 1 . . . . 65 GLN H . 16066 1 831 . 1 1 68 68 GLN HA H 1 5.51 0.001 . 1 . . . . 65 GLN HA . 16066 1 832 . 1 1 68 68 GLN HB2 H 1 2.129 0.003 . 2 . . . . 65 GLN QB . 16066 1 833 . 1 1 68 68 GLN HB3 H 1 2.129 0.003 . 2 . . . . 65 GLN QB . 16066 1 834 . 1 1 68 68 GLN HE21 H 1 7.319 0.002 . 2 . . . . 65 GLN HE21 . 16066 1 835 . 1 1 68 68 GLN HE22 H 1 6.909 0.003 . 2 . . . . 65 GLN HE22 . 16066 1 836 . 1 1 68 68 GLN HG2 H 1 2.45 0.001 . 2 . . . . 65 GLN HG2 . 16066 1 837 . 1 1 68 68 GLN HG3 H 1 2.14 0 . 2 . . . . 65 GLN HG3 . 16066 1 838 . 1 1 68 68 GLN C C 13 175.725 0 . 1 . . . . 65 GLN C . 16066 1 839 . 1 1 68 68 GLN CA C 13 53.092 0 . 1 . . . . 65 GLN CA . 16066 1 840 . 1 1 68 68 GLN CB C 13 32.6 0 . 1 . . . . 65 GLN CB . 16066 1 841 . 1 1 68 68 GLN CG C 13 33.507 0.007 . 1 . . . . 65 GLN CG . 16066 1 842 . 1 1 68 68 GLN N N 15 123.05 0.002 . 1 . . . . 65 GLN N . 16066 1 843 . 1 1 68 68 GLN NE2 N 15 107.945 0.048 . 1 . . . . 65 GLN NE2 . 16066 1 844 . 1 1 69 69 VAL H H 1 9.198 0.002 . 1 . . . . 66 VAL H . 16066 1 845 . 1 1 69 69 VAL HA H 1 4.369 0.002 . 1 . . . . 66 VAL HA . 16066 1 846 . 1 1 69 69 VAL HB H 1 2.102 0.003 . 1 . . . . 66 VAL HB . 16066 1 847 . 1 1 69 69 VAL HG11 H 1 0.915 0.001 . 2 . . . . 66 VAL QG1 . 16066 1 848 . 1 1 69 69 VAL HG12 H 1 0.915 0.001 . 2 . . . . 66 VAL QG1 . 16066 1 849 . 1 1 69 69 VAL HG13 H 1 0.915 0.001 . 2 . . . . 66 VAL QG1 . 16066 1 850 . 1 1 69 69 VAL HG21 H 1 0.87 0.002 . 2 . . . . 66 VAL QG2 . 16066 1 851 . 1 1 69 69 VAL HG22 H 1 0.87 0.002 . 2 . . . . 66 VAL QG2 . 16066 1 852 . 1 1 69 69 VAL HG23 H 1 0.87 0.002 . 2 . . . . 66 VAL QG2 . 16066 1 853 . 1 1 69 69 VAL C C 13 175.357 0 . 1 . . . . 66 VAL C . 16066 1 854 . 1 1 69 69 VAL CA C 13 63.045 0 . 1 . . . . 66 VAL CA . 16066 1 855 . 1 1 69 69 VAL CB C 13 32.669 0 . 1 . . . . 66 VAL CB . 16066 1 856 . 1 1 69 69 VAL CG1 C 13 24.231 0 . 2 . . . . 66 VAL CG1 . 16066 1 857 . 1 1 69 69 VAL CG2 C 13 22.579 0 . 2 . . . . 66 VAL CG2 . 16066 1 858 . 1 1 69 69 VAL N N 15 127.343 0.005 . 1 . . . . 66 VAL N . 16066 1 859 . 1 1 70 70 ILE H H 1 9.241 0.003 . 1 . . . . 67 ILE H . 16066 1 860 . 1 1 70 70 ILE HA H 1 4.471 0.001 . 1 . . . . 67 ILE HA . 16066 1 861 . 1 1 70 70 ILE HB H 1 2.091 0.001 . 1 . . . . 67 ILE HB . 16066 1 862 . 1 1 70 70 ILE HD11 H 1 0.623 0.002 . 1 . . . . 67 ILE QD1 . 16066 1 863 . 1 1 70 70 ILE HD12 H 1 0.623 0.002 . 1 . . . . 67 ILE QD1 . 16066 1 864 . 1 1 70 70 ILE HD13 H 1 0.623 0.002 . 1 . . . . 67 ILE QD1 . 16066 1 865 . 1 1 70 70 ILE HG12 H 1 1.5 0.001 . 2 . . . . 67 ILE HG12 . 16066 1 866 . 1 1 70 70 ILE HG13 H 1 0.991 0.004 . 2 . . . . 67 ILE HG13 . 16066 1 867 . 1 1 70 70 ILE HG21 H 1 0.907 0.002 . 1 . . . . 67 ILE QG2 . 16066 1 868 . 1 1 70 70 ILE HG22 H 1 0.907 0.002 . 1 . . . . 67 ILE QG2 . 16066 1 869 . 1 1 70 70 ILE HG23 H 1 0.907 0.002 . 1 . . . . 67 ILE QG2 . 16066 1 870 . 1 1 70 70 ILE C C 13 177.081 0 . 1 . . . . 67 ILE C . 16066 1 871 . 1 1 70 70 ILE CA C 13 59.716 0 . 1 . . . . 67 ILE CA . 16066 1 872 . 1 1 70 70 ILE CB C 13 37.169 0 . 1 . . . . 67 ILE CB . 16066 1 873 . 1 1 70 70 ILE CD1 C 13 13.543 0 . 1 . . . . 67 ILE CD1 . 16066 1 874 . 1 1 70 70 ILE CG1 C 13 26.481 0 . 1 . . . . 67 ILE CG1 . 16066 1 875 . 1 1 70 70 ILE CG2 C 13 18.887 0 . 1 . . . . 67 ILE CG2 . 16066 1 876 . 1 1 70 70 ILE N N 15 129.254 0 . 1 . . . . 67 ILE N . 16066 1 877 . 1 1 71 71 ASP H H 1 9.374 0.002 . 1 . . . . 68 ASP H . 16066 1 878 . 1 1 71 71 ASP HA H 1 4.574 0.003 . 1 . . . . 68 ASP HA . 16066 1 879 . 1 1 71 71 ASP HB2 H 1 2.735 0.001 . 2 . . . . 68 ASP HB2 . 16066 1 880 . 1 1 71 71 ASP HB3 H 1 2.656 0.001 . 2 . . . . 68 ASP HB3 . 16066 1 881 . 1 1 71 71 ASP C C 13 179.868 0 . 1 . . . . 68 ASP C . 16066 1 882 . 1 1 71 71 ASP CA C 13 58.797 0 . 1 . . . . 68 ASP CA . 16066 1 883 . 1 1 71 71 ASP CB C 13 40.544 0 . 1 . . . . 68 ASP CB . 16066 1 884 . 1 1 71 71 ASP N N 15 129.133 0.006 . 1 . . . . 68 ASP N . 16066 1 885 . 1 1 72 72 GLU H H 1 9.631 0.001 . 1 . . . . 69 GLU H . 16066 1 886 . 1 1 72 72 GLU HA H 1 4.088 0.002 . 1 . . . . 69 GLU HA . 16066 1 887 . 1 1 72 72 GLU HB2 H 1 2.092 0 . 2 . . . . 69 GLU HB2 . 16066 1 888 . 1 1 72 72 GLU HB3 H 1 1.98 0 . 2 . . . . 69 GLU HB3 . 16066 1 889 . 1 1 72 72 GLU HG2 H 1 2.31 0 . 2 . . . . 69 GLU QG . 16066 1 890 . 1 1 72 72 GLU HG3 H 1 2.31 0 . 2 . . . . 69 GLU QG . 16066 1 891 . 1 1 72 72 GLU C C 13 176.865 0 . 1 . . . . 69 GLU C . 16066 1 892 . 1 1 72 72 GLU CA C 13 59.67 0 . 1 . . . . 69 GLU CA . 16066 1 893 . 1 1 72 72 GLU CB C 13 29.1 0 . 1 . . . . 69 GLU CB . 16066 1 894 . 1 1 72 72 GLU CG C 13 36.2 0 . 1 . . . . 69 GLU CG . 16066 1 895 . 1 1 72 72 GLU N N 15 118.88 0.006 . 1 . . . . 69 GLU N . 16066 1 896 . 1 1 73 73 LYS H H 1 6.582 0.003 . 1 . . . . 70 LYS H . 16066 1 897 . 1 1 73 73 LYS HA H 1 4.474 0.002 . 1 . . . . 70 LYS HA . 16066 1 898 . 1 1 73 73 LYS HB2 H 1 1.385 0.001 . 2 . . . . 70 LYS HB2 . 16066 1 899 . 1 1 73 73 LYS HB3 H 1 2.078 0.002 . 2 . . . . 70 LYS HB3 . 16066 1 900 . 1 1 73 73 LYS HD2 H 1 1.622 0.003 . 2 . . . . 70 LYS HD2 . 16066 1 901 . 1 1 73 73 LYS HD3 H 1 1.549 0.001 . 2 . . . . 70 LYS HD3 . 16066 1 902 . 1 1 73 73 LYS HE2 H 1 2.886 0.001 . 2 . . . . 70 LYS QE . 16066 1 903 . 1 1 73 73 LYS HE3 H 1 2.886 0.001 . 2 . . . . 70 LYS QE . 16066 1 904 . 1 1 73 73 LYS HG2 H 1 1.356 0.001 . 2 . . . . 70 LYS HG2 . 16066 1 905 . 1 1 73 73 LYS HG3 H 1 1.378 0 . 2 . . . . 70 LYS HG3 . 16066 1 906 . 1 1 73 73 LYS C C 13 173.964 0 . 1 . . . . 70 LYS C . 16066 1 907 . 1 1 73 73 LYS CA C 13 54.604 0 . 1 . . . . 70 LYS CA . 16066 1 908 . 1 1 73 73 LYS CB C 13 34.075 0 . 1 . . . . 70 LYS CB . 16066 1 909 . 1 1 73 73 LYS CD C 13 28.731 0 . 1 . . . . 70 LYS CD . 16066 1 910 . 1 1 73 73 LYS CE C 13 41.669 0 . 1 . . . . 70 LYS CE . 16066 1 911 . 1 1 73 73 LYS CG C 13 25.356 0 . 1 . . . . 70 LYS CG . 16066 1 912 . 1 1 73 73 LYS N N 15 114.014 0.001 . 1 . . . . 70 LYS N . 16066 1 913 . 1 1 74 74 VAL H H 1 7.791 0.003 . 1 . . . . 71 VAL H . 16066 1 914 . 1 1 74 74 VAL HA H 1 2.948 0.001 . 1 . . . . 71 VAL HA . 16066 1 915 . 1 1 74 74 VAL HB H 1 2.288 0.002 . 1 . . . . 71 VAL HB . 16066 1 916 . 1 1 74 74 VAL HG11 H 1 0.728 0.002 . 2 . . . . 71 VAL QG1 . 16066 1 917 . 1 1 74 74 VAL HG12 H 1 0.728 0.002 . 2 . . . . 71 VAL QG1 . 16066 1 918 . 1 1 74 74 VAL HG13 H 1 0.728 0.002 . 2 . . . . 71 VAL QG1 . 16066 1 919 . 1 1 74 74 VAL HG21 H 1 0.307 0.001 . 2 . . . . 71 VAL QG2 . 16066 1 920 . 1 1 74 74 VAL HG22 H 1 0.307 0.001 . 2 . . . . 71 VAL QG2 . 16066 1 921 . 1 1 74 74 VAL HG23 H 1 0.307 0.001 . 2 . . . . 71 VAL QG2 . 16066 1 922 . 1 1 74 74 VAL C C 13 173.381 0 . 1 . . . . 71 VAL C . 16066 1 923 . 1 1 74 74 VAL CA C 13 63.045 0 . 1 . . . . 71 VAL CA . 16066 1 924 . 1 1 74 74 VAL CB C 13 29.013 0 . 1 . . . . 71 VAL CB . 16066 1 925 . 1 1 74 74 VAL CG1 C 13 20.886 0 . 2 . . . . 71 VAL CG1 . 16066 1 926 . 1 1 74 74 VAL CG2 C 13 23.39 0 . 2 . . . . 71 VAL CG2 . 16066 1 927 . 1 1 74 74 VAL N N 15 119.301 0.001 . 1 . . . . 71 VAL N . 16066 1 928 . 1 1 75 75 VAL H H 1 7.736 0 . 1 . . . . 72 VAL H . 16066 1 929 . 1 1 75 75 VAL HA H 1 5.159 0.002 . 1 . . . . 72 VAL HA . 16066 1 930 . 1 1 75 75 VAL HB H 1 1.753 0.003 . 1 . . . . 72 VAL HB . 16066 1 931 . 1 1 75 75 VAL HG11 H 1 1.022 0.001 . 2 . . . . 72 VAL QG1 . 16066 1 932 . 1 1 75 75 VAL HG12 H 1 1.022 0.001 . 2 . . . . 72 VAL QG1 . 16066 1 933 . 1 1 75 75 VAL HG13 H 1 1.022 0.001 . 2 . . . . 72 VAL QG1 . 16066 1 934 . 1 1 75 75 VAL HG21 H 1 0.965 0.001 . 2 . . . . 72 VAL QG2 . 16066 1 935 . 1 1 75 75 VAL HG22 H 1 0.965 0.001 . 2 . . . . 72 VAL QG2 . 16066 1 936 . 1 1 75 75 VAL HG23 H 1 0.965 0.001 . 2 . . . . 72 VAL QG2 . 16066 1 937 . 1 1 75 75 VAL C C 13 175.028 0 . 1 . . . . 72 VAL C . 16066 1 938 . 1 1 75 75 VAL CA C 13 59.839 0 . 1 . . . . 72 VAL CA . 16066 1 939 . 1 1 75 75 VAL CB C 13 37.732 0 . 1 . . . . 72 VAL CB . 16066 1 940 . 1 1 75 75 VAL CG1 C 13 21.7 0 . 2 . . . . 72 VAL CG1 . 16066 1 941 . 1 1 75 75 VAL CG2 C 13 22.872 0 . 2 . . . . 72 VAL CG2 . 16066 1 942 . 1 1 75 75 VAL N N 15 116.865 0.006 . 1 . . . . 72 VAL N . 16066 1 943 . 1 1 76 76 VAL H H 1 9.006 0.003 . 1 . . . . 73 VAL H . 16066 1 944 . 1 1 76 76 VAL HA H 1 4.19 0.002 . 1 . . . . 73 VAL HA . 16066 1 945 . 1 1 76 76 VAL HB H 1 1.616 0.002 . 1 . . . . 73 VAL HB . 16066 1 946 . 1 1 76 76 VAL HG11 H 1 0.476 0.001 . 2 . . . . 73 VAL QG1 . 16066 1 947 . 1 1 76 76 VAL HG12 H 1 0.476 0.001 . 2 . . . . 73 VAL QG1 . 16066 1 948 . 1 1 76 76 VAL HG13 H 1 0.476 0.001 . 2 . . . . 73 VAL QG1 . 16066 1 949 . 1 1 76 76 VAL HG21 H 1 0.164 0.001 . 2 . . . . 73 VAL QG2 . 16066 1 950 . 1 1 76 76 VAL HG22 H 1 0.164 0.001 . 2 . . . . 73 VAL QG2 . 16066 1 951 . 1 1 76 76 VAL HG23 H 1 0.164 0.001 . 2 . . . . 73 VAL QG2 . 16066 1 952 . 1 1 76 76 VAL C C 13 172.177 0 . 1 . . . . 73 VAL C . 16066 1 953 . 1 1 76 76 VAL CA C 13 62.473 0 . 1 . . . . 73 VAL CA . 16066 1 954 . 1 1 76 76 VAL CB C 13 32.388 0 . 1 . . . . 73 VAL CB . 16066 1 955 . 1 1 76 76 VAL CG1 C 13 23.106 0 . 2 . . . . 73 VAL CG1 . 16066 1 956 . 1 1 76 76 VAL CG2 C 13 20.294 0 . 2 . . . . 73 VAL CG2 . 16066 1 957 . 1 1 76 76 VAL N N 15 128.675 0.027 . 1 . . . . 73 VAL N . 16066 1 958 . 1 1 77 77 PHE H H 1 9.468 0.002 . 1 . . . . 74 PHE H . 16066 1 959 . 1 1 77 77 PHE HA H 1 5.019 0.002 . 1 . . . . 74 PHE HA . 16066 1 960 . 1 1 77 77 PHE HB2 H 1 3.337 0.002 . 2 . . . . 74 PHE HB2 . 16066 1 961 . 1 1 77 77 PHE HB3 H 1 2.729 0.001 . 2 . . . . 74 PHE HB3 . 16066 1 962 . 1 1 77 77 PHE HD1 H 1 7.039 0.001 . 3 . . . . 74 PHE QD . 16066 1 963 . 1 1 77 77 PHE HD2 H 1 7.039 0.001 . 3 . . . . 74 PHE QD . 16066 1 964 . 1 1 77 77 PHE HE1 H 1 7.035 0.004 . 3 . . . . 74 PHE QE . 16066 1 965 . 1 1 77 77 PHE HE2 H 1 7.035 0.004 . 3 . . . . 74 PHE QE . 16066 1 966 . 1 1 77 77 PHE C C 13 174.42 0 . 1 . . . . 74 PHE C . 16066 1 967 . 1 1 77 77 PHE CA C 13 54.378 0 . 1 . . . . 74 PHE CA . 16066 1 968 . 1 1 77 77 PHE CB C 13 42.23 0.002 . 1 . . . . 74 PHE CB . 16066 1 969 . 1 1 77 77 PHE N N 15 130.014 0.008 . 1 . . . . 74 PHE N . 16066 1 970 . 1 1 78 78 VAL H H 1 8.99 0.002 . 1 . . . . 75 VAL H . 16066 1 971 . 1 1 78 78 VAL HA H 1 3.645 0.001 . 1 . . . . 75 VAL HA . 16066 1 972 . 1 1 78 78 VAL HB H 1 1.131 0.002 . 1 . . . . 75 VAL HB . 16066 1 973 . 1 1 78 78 VAL HG11 H 1 0.634 0.002 . 2 . . . . 75 VAL QG1 . 16066 1 974 . 1 1 78 78 VAL HG12 H 1 0.634 0.002 . 2 . . . . 75 VAL QG1 . 16066 1 975 . 1 1 78 78 VAL HG13 H 1 0.634 0.002 . 2 . . . . 75 VAL QG1 . 16066 1 976 . 1 1 78 78 VAL HG21 H 1 0.136 0.001 . 2 . . . . 75 VAL QG2 . 16066 1 977 . 1 1 78 78 VAL HG22 H 1 0.136 0.001 . 2 . . . . 75 VAL QG2 . 16066 1 978 . 1 1 78 78 VAL HG23 H 1 0.136 0.001 . 2 . . . . 75 VAL QG2 . 16066 1 979 . 1 1 78 78 VAL C C 13 174.813 0 . 1 . . . . 75 VAL C . 16066 1 980 . 1 1 78 78 VAL CA C 13 64.452 0 . 1 . . . . 75 VAL CA . 16066 1 981 . 1 1 78 78 VAL CB C 13 31.009 0 . 1 . . . . 75 VAL CB . 16066 1 982 . 1 1 78 78 VAL CG1 C 13 21.11 0 . 2 . . . . 75 VAL CG1 . 16066 1 983 . 1 1 78 78 VAL CG2 C 13 21.53 0 . 2 . . . . 75 VAL CG2 . 16066 1 984 . 1 1 78 78 VAL N N 15 128.474 0.016 . 1 . . . . 75 VAL N . 16066 1 985 . 1 1 79 79 ILE H H 1 8.679 0.004 . 1 . . . . 76 ILE H . 16066 1 986 . 1 1 79 79 ILE HA H 1 4.171 0.001 . 1 . . . . 76 ILE HA . 16066 1 987 . 1 1 79 79 ILE HB H 1 1.823 0.003 . 1 . . . . 76 ILE HB . 16066 1 988 . 1 1 79 79 ILE HD11 H 1 0.876 0.002 . 1 . . . . 76 ILE QD1 . 16066 1 989 . 1 1 79 79 ILE HD12 H 1 0.876 0.002 . 1 . . . . 76 ILE QD1 . 16066 1 990 . 1 1 79 79 ILE HD13 H 1 0.876 0.002 . 1 . . . . 76 ILE QD1 . 16066 1 991 . 1 1 79 79 ILE HG12 H 1 1.136 0.001 . 2 . . . . 76 ILE HG12 . 16066 1 992 . 1 1 79 79 ILE HG13 H 1 1.288 0 . 2 . . . . 76 ILE HG13 . 16066 1 993 . 1 1 79 79 ILE HG21 H 1 0.883 0.002 . 1 . . . . 76 ILE QG2 . 16066 1 994 . 1 1 79 79 ILE HG22 H 1 0.883 0.002 . 1 . . . . 76 ILE QG2 . 16066 1 995 . 1 1 79 79 ILE HG23 H 1 0.883 0.002 . 1 . . . . 76 ILE QG2 . 16066 1 996 . 1 1 79 79 ILE C C 13 176.092 0 . 1 . . . . 76 ILE C . 16066 1 997 . 1 1 79 79 ILE CA C 13 61.635 0 . 1 . . . . 76 ILE CA . 16066 1 998 . 1 1 79 79 ILE CB C 13 39.982 0 . 1 . . . . 76 ILE CB . 16066 1 999 . 1 1 79 79 ILE CD1 C 13 13.543 0 . 1 . . . . 76 ILE CD1 . 16066 1 1000 . 1 1 79 79 ILE CG1 C 13 26.759 0 . 1 . . . . 76 ILE CG1 . 16066 1 1001 . 1 1 79 79 ILE CG2 C 13 18.743 0 . 1 . . . . 76 ILE CG2 . 16066 1 1002 . 1 1 79 79 ILE N N 15 122.334 0.03 . 1 . . . . 76 ILE N . 16066 1 1003 . 1 1 80 80 SER H H 1 7.614 0.001 . 1 . . . . 77 SER H . 16066 1 1004 . 1 1 80 80 SER HA H 1 4.724 0.003 . 1 . . . . 77 SER HA . 16066 1 1005 . 1 1 80 80 SER HB2 H 1 3.881 0.002 . 2 . . . . 77 SER HB2 . 16066 1 1006 . 1 1 80 80 SER HB3 H 1 3.547 0.001 . 2 . . . . 77 SER HB3 . 16066 1 1007 . 1 1 80 80 SER C C 13 172.545 0 . 1 . . . . 77 SER C . 16066 1 1008 . 1 1 80 80 SER CA C 13 57.849 0 . 1 . . . . 77 SER CA . 16066 1 1009 . 1 1 80 80 SER CB C 13 64.733 0 . 1 . . . . 77 SER CB . 16066 1 1010 . 1 1 80 80 SER N N 15 113.369 0.008 . 1 . . . . 77 SER N . 16066 1 1011 . 1 1 81 81 VAL H H 1 8.814 0.003 . 1 . . . . 78 VAL H . 16066 1 1012 . 1 1 81 81 VAL HA H 1 5.102 0.001 . 1 . . . . 78 VAL HA . 16066 1 1013 . 1 1 81 81 VAL HB H 1 2.373 0.001 . 1 . . . . 78 VAL HB . 16066 1 1014 . 1 1 81 81 VAL HG11 H 1 1.245 0.002 . 2 . . . . 78 VAL QG1 . 16066 1 1015 . 1 1 81 81 VAL HG12 H 1 1.245 0.002 . 2 . . . . 78 VAL QG1 . 16066 1 1016 . 1 1 81 81 VAL HG13 H 1 1.245 0.002 . 2 . . . . 78 VAL QG1 . 16066 1 1017 . 1 1 81 81 VAL HG21 H 1 1.296 0.001 . 2 . . . . 78 VAL QG2 . 16066 1 1018 . 1 1 81 81 VAL HG22 H 1 1.296 0.001 . 2 . . . . 78 VAL QG2 . 16066 1 1019 . 1 1 81 81 VAL HG23 H 1 1.296 0.001 . 2 . . . . 78 VAL QG2 . 16066 1 1020 . 1 1 81 81 VAL C C 13 173.761 0 . 1 . . . . 78 VAL C . 16066 1 1021 . 1 1 81 81 VAL CA C 13 61.004 0 . 1 . . . . 78 VAL CA . 16066 1 1022 . 1 1 81 81 VAL CB C 13 34.638 0 . 1 . . . . 78 VAL CB . 16066 1 1023 . 1 1 81 81 VAL CG1 C 13 21.335 0 . 2 . . . . 78 VAL CG1 . 16066 1 1024 . 1 1 81 81 VAL CG2 C 13 22.544 0 . 2 . . . . 78 VAL CG2 . 16066 1 1025 . 1 1 81 81 VAL N N 15 123.792 0.008 . 1 . . . . 78 VAL N . 16066 1 1026 . 1 1 82 82 GLY H H 1 8.628 0.002 . 1 . . . . 79 GLY H . 16066 1 1027 . 1 1 82 82 GLY HA2 H 1 4.365 0 . 2 . . . . 79 GLY HA2 . 16066 1 1028 . 1 1 82 82 GLY HA3 H 1 4.214 0.004 . 2 . . . . 79 GLY HA3 . 16066 1 1029 . 1 1 82 82 GLY C C 13 171.201 0 . 1 . . . . 79 GLY C . 16066 1 1030 . 1 1 82 82 GLY CA C 13 45.606 0.002 . 1 . . . . 79 GLY CA . 16066 1 1031 . 1 1 82 82 GLY N N 15 111.112 0.01 . 1 . . . . 79 GLY N . 16066 1 1032 . 1 1 83 83 LYS H H 1 8.67 0.002 . 1 . . . . 80 LYS H . 16066 1 1033 . 1 1 83 83 LYS HA H 1 4.205 0 . 1 . . . . 80 LYS HA . 16066 1 1034 . 1 1 83 83 LYS HB2 H 1 1.341 0.001 . 2 . . . . 80 LYS HB2 . 16066 1 1035 . 1 1 83 83 LYS HB3 H 1 1.428 0.004 . 2 . . . . 80 LYS HB3 . 16066 1 1036 . 1 1 83 83 LYS HD2 H 1 1.38 0.002 . 2 . . . . 80 LYS QD . 16066 1 1037 . 1 1 83 83 LYS HD3 H 1 1.38 0.002 . 2 . . . . 80 LYS QD . 16066 1 1038 . 1 1 83 83 LYS HE2 H 1 2.84 0.002 . 2 . . . . 80 LYS QE . 16066 1 1039 . 1 1 83 83 LYS HE3 H 1 2.84 0.002 . 2 . . . . 80 LYS QE . 16066 1 1040 . 1 1 83 83 LYS HG2 H 1 0.933 0.002 . 2 . . . . 80 LYS HG2 . 16066 1 1041 . 1 1 83 83 LYS HG3 H 1 1.022 0.001 . 2 . . . . 80 LYS HG3 . 16066 1 1042 . 1 1 83 83 LYS C C 13 176.08 0 . 1 . . . . 80 LYS C . 16066 1 1043 . 1 1 83 83 LYS CA C 13 55.451 0 . 1 . . . . 80 LYS CA . 16066 1 1044 . 1 1 83 83 LYS CB C 13 32.665 0 . 1 . . . . 80 LYS CB . 16066 1 1045 . 1 1 83 83 LYS CD C 13 28.731 0 . 1 . . . . 80 LYS CD . 16066 1 1046 . 1 1 83 83 LYS CE C 13 41.623 0 . 1 . . . . 80 LYS CE . 16066 1 1047 . 1 1 83 83 LYS CG C 13 24.512 0 . 1 . . . . 80 LYS CG . 16066 1 1048 . 1 1 83 83 LYS N N 15 120.943 0.01 . 1 . . . . 80 LYS N . 16066 1 1049 . 1 1 84 84 ALA H H 1 8.049 0.003 . 1 . . . . 81 ALA H . 16066 1 1050 . 1 1 84 84 ALA HA H 1 4.182 0.001 . 1 . . . . 81 ALA HA . 16066 1 1051 . 1 1 84 84 ALA HB1 H 1 1.298 0.001 . 1 . . . . 81 ALA QB . 16066 1 1052 . 1 1 84 84 ALA HB2 H 1 1.298 0.001 . 1 . . . . 81 ALA QB . 16066 1 1053 . 1 1 84 84 ALA HB3 H 1 1.298 0.001 . 1 . . . . 81 ALA QB . 16066 1 1054 . 1 1 84 84 ALA C C 13 176.941 0 . 1 . . . . 81 ALA C . 16066 1 1055 . 1 1 84 84 ALA CA C 13 52.248 0 . 1 . . . . 81 ALA CA . 16066 1 1056 . 1 1 84 84 ALA CB C 13 19.45 0 . 1 . . . . 81 ALA CB . 16066 1 1057 . 1 1 84 84 ALA N N 15 125.262 0.006 . 1 . . . . 81 ALA N . 16066 1 1058 . 1 1 85 85 GLU H H 1 8.46 0.002 . 1 . . . . 82 GLU H . 16066 1 1059 . 1 1 85 85 GLU HA H 1 4.23 0 . 1 . . . . 82 GLU HA . 16066 1 1060 . 1 1 85 85 GLU HB2 H 1 2.098 0 . 2 . . . . 82 GLU HB2 . 16066 1 1061 . 1 1 85 85 GLU HB3 H 1 1.925 0 . 2 . . . . 82 GLU HB3 . 16066 1 1062 . 1 1 85 85 GLU HG2 H 1 2.25 0.001 . 2 . . . . 82 GLU QG . 16066 1 1063 . 1 1 85 85 GLU HG3 H 1 2.25 0.001 . 2 . . . . 82 GLU QG . 16066 1 1064 . 1 1 85 85 GLU C C 13 176.599 0 . 1 . . . . 82 GLU C . 16066 1 1065 . 1 1 85 85 GLU CA C 13 56.446 0 . 1 . . . . 82 GLU CA . 16066 1 1066 . 1 1 85 85 GLU CB C 13 29.853 0 . 1 . . . . 82 GLU CB . 16066 1 1067 . 1 1 85 85 GLU CG C 13 35.9 0 . 1 . . . . 82 GLU CG . 16066 1 1068 . 1 1 85 85 GLU N N 15 119.296 0.047 . 1 . . . . 82 GLU N . 16066 1 1069 . 1 1 86 86 ALA H H 1 8.403 0.001 . 1 . . . . 83 ALA H . 16066 1 1070 . 1 1 86 86 ALA HA H 1 4.149 0 . 1 . . . . 83 ALA HA . 16066 1 1071 . 1 1 86 86 ALA HB1 H 1 1.404 0 . 1 . . . . 83 ALA QB . 16066 1 1072 . 1 1 86 86 ALA HB2 H 1 1.404 0 . 1 . . . . 83 ALA QB . 16066 1 1073 . 1 1 86 86 ALA HB3 H 1 1.404 0 . 1 . . . . 83 ALA QB . 16066 1 1074 . 1 1 86 86 ALA C C 13 177.777 0 . 1 . . . . 83 ALA C . 16066 1 1075 . 1 1 86 86 ALA CA C 13 53.448 0 . 1 . . . . 83 ALA CA . 16066 1 1076 . 1 1 86 86 ALA CB C 13 18.887 0 . 1 . . . . 83 ALA CB . 16066 1 1077 . 1 1 86 86 ALA N N 15 124.833 0.013 . 1 . . . . 83 ALA N . 16066 1 1078 . 1 1 87 87 SER H H 1 8.301 0.003 . 1 . . . . 84 SER H . 16066 1 1079 . 1 1 87 87 SER HA H 1 4.297 0 . 1 . . . . 84 SER HA . 16066 1 1080 . 1 1 87 87 SER HB2 H 1 3.919 0 . 2 . . . . 84 SER QB . 16066 1 1081 . 1 1 87 87 SER HB3 H 1 3.919 0 . 2 . . . . 84 SER QB . 16066 1 1082 . 1 1 87 87 SER C C 13 175.37 0 . 1 . . . . 84 SER C . 16066 1 1083 . 1 1 87 87 SER N N 15 113.395 0.003 . 1 . . . . 84 SER N . 16066 1 1084 . 1 1 88 88 GLU H H 1 8.271 0.002 . 1 . . . . 85 GLU H . 16066 1 1085 . 1 1 88 88 GLU HA H 1 4.239 0.001 . 1 . . . . 85 GLU HA . 16066 1 1086 . 1 1 88 88 GLU HB2 H 1 2.082 0.001 . 2 . . . . 85 GLU HB2 . 16066 1 1087 . 1 1 88 88 GLU HB3 H 1 1.998 0.001 . 2 . . . . 85 GLU HB3 . 16066 1 1088 . 1 1 88 88 GLU HG2 H 1 2.213 0.001 . 2 . . . . 85 GLU QG . 16066 1 1089 . 1 1 88 88 GLU HG3 H 1 2.213 0.001 . 2 . . . . 85 GLU QG . 16066 1 1090 . 1 1 88 88 GLU C C 13 177.081 0 . 1 . . . . 85 GLU C . 16066 1 1091 . 1 1 88 88 GLU CA C 13 57.14 0 . 1 . . . . 85 GLU CA . 16066 1 1092 . 1 1 88 88 GLU CB C 13 29.856 0 . 1 . . . . 85 GLU CB . 16066 1 1093 . 1 1 88 88 GLU CG C 13 36.2 0 . 1 . . . . 85 GLU CG . 16066 1 1094 . 1 1 88 88 GLU N N 15 122.554 0.001 . 1 . . . . 85 GLU N . 16066 1 1095 . 1 1 89 89 VAL H H 1 7.833 0.002 . 1 . . . . 86 VAL H . 16066 1 1096 . 1 1 89 89 VAL HA H 1 3.895 0.001 . 1 . . . . 86 VAL HA . 16066 1 1097 . 1 1 89 89 VAL HB H 1 1.915 0.003 . 1 . . . . 86 VAL HB . 16066 1 1098 . 1 1 89 89 VAL HG11 H 1 0.829 0.001 . 2 . . . . 86 VAL QG1 . 16066 1 1099 . 1 1 89 89 VAL HG12 H 1 0.829 0.001 . 2 . . . . 86 VAL QG1 . 16066 1 1100 . 1 1 89 89 VAL HG13 H 1 0.829 0.001 . 2 . . . . 86 VAL QG1 . 16066 1 1101 . 1 1 89 89 VAL HG21 H 1 0.754 0.001 . 2 . . . . 86 VAL QG2 . 16066 1 1102 . 1 1 89 89 VAL HG22 H 1 0.754 0.001 . 2 . . . . 86 VAL QG2 . 16066 1 1103 . 1 1 89 89 VAL HG23 H 1 0.754 0.001 . 2 . . . . 86 VAL QG2 . 16066 1 1104 . 1 1 89 89 VAL C C 13 177.172 0 . 1 . . . . 86 VAL C . 16066 1 1105 . 1 1 89 89 VAL CA C 13 63.045 0 . 1 . . . . 86 VAL CA . 16066 1 1106 . 1 1 89 89 VAL CB C 13 32.107 0 . 1 . . . . 86 VAL CB . 16066 1 1107 . 1 1 89 89 VAL CG1 C 13 21.093 0 . 2 . . . . 86 VAL CG1 . 16066 1 1108 . 1 1 89 89 VAL CG2 C 13 20.816 0 . 2 . . . . 86 VAL CG2 . 16066 1 1109 . 1 1 89 89 VAL N N 15 119.916 0.012 . 1 . . . . 86 VAL N . 16066 1 1110 . 1 1 90 90 TYR H H 1 8.142 0.002 . 1 . . . . 87 TYR H . 16066 1 1111 . 1 1 90 90 TYR HA H 1 4.479 0.001 . 1 . . . . 87 TYR HA . 16066 1 1112 . 1 1 90 90 TYR HB2 H 1 2.97 0.002 . 2 . . . . 87 TYR HB2 . 16066 1 1113 . 1 1 90 90 TYR HB3 H 1 3.104 0 . 2 . . . . 87 TYR HB3 . 16066 1 1114 . 1 1 90 90 TYR HD1 H 1 7.01 0 . 3 . . . . 87 TYR QD . 16066 1 1115 . 1 1 90 90 TYR HD2 H 1 7.01 0 . 3 . . . . 87 TYR QD . 16066 1 1116 . 1 1 90 90 TYR HE1 H 1 6.72 0 . 3 . . . . 87 TYR QE . 16066 1 1117 . 1 1 90 90 TYR HE2 H 1 6.72 0 . 3 . . . . 87 TYR QE . 16066 1 1118 . 1 1 90 90 TYR C C 13 176.637 0 . 1 . . . . 87 TYR C . 16066 1 1119 . 1 1 90 90 TYR CA C 13 58.545 0 . 1 . . . . 87 TYR CA . 16066 1 1120 . 1 1 90 90 TYR CB C 13 37.732 0 . 1 . . . . 87 TYR CB . 16066 1 1121 . 1 1 90 90 TYR N N 15 122.303 0.002 . 1 . . . . 87 TYR N . 16066 1 1122 . 1 1 91 91 SER H H 1 8.09 0.001 . 1 . . . . 88 SER H . 16066 1 1123 . 1 1 91 91 SER HA H 1 4.335 0.002 . 1 . . . . 88 SER HA . 16066 1 1124 . 1 1 91 91 SER HB2 H 1 4.026 0.001 . 2 . . . . 88 SER HB2 . 16066 1 1125 . 1 1 91 91 SER HB3 H 1 4.003 0.001 . 2 . . . . 88 SER HB3 . 16066 1 1126 . 1 1 91 91 SER C C 13 176.13 0 . 1 . . . . 88 SER C . 16066 1 1127 . 1 1 91 91 SER CA C 13 59.899 0 . 1 . . . . 88 SER CA . 16066 1 1128 . 1 1 91 91 SER CB C 13 62.483 0 . 1 . . . . 88 SER CB . 16066 1 1129 . 1 1 91 91 SER N N 15 115.828 0.004 . 1 . . . . 88 SER N . 16066 1 1130 . 1 1 92 92 GLU H H 1 8.234 0.004 . 1 . . . . 89 GLU H . 16066 1 1131 . 1 1 92 92 GLU HA H 1 4.213 0 . 1 . . . . 89 GLU HA . 16066 1 1132 . 1 1 92 92 GLU HB2 H 1 2.019 0.001 . 2 . . . . 89 GLU QB . 16066 1 1133 . 1 1 92 92 GLU HB3 H 1 2.019 0.001 . 2 . . . . 89 GLU QB . 16066 1 1134 . 1 1 92 92 GLU HG2 H 1 2.315 0 . 2 . . . . 89 GLU QG . 16066 1 1135 . 1 1 92 92 GLU HG3 H 1 2.315 0 . 2 . . . . 89 GLU QG . 16066 1 1136 . 1 1 92 92 GLU C C 13 177.6 0 . 1 . . . . 89 GLU C . 16066 1 1137 . 1 1 92 92 GLU CA C 13 57.701 0 . 1 . . . . 89 GLU CA . 16066 1 1138 . 1 1 92 92 GLU CB C 13 29.575 0 . 1 . . . . 89 GLU CB . 16066 1 1139 . 1 1 92 92 GLU CG C 13 35.763 0 . 1 . . . . 89 GLU CG . 16066 1 1140 . 1 1 92 92 GLU N N 15 121.225 0.002 . 1 . . . . 89 GLU N . 16066 1 1141 . 1 1 93 93 ALA H H 1 7.96 0.003 . 1 . . . . 90 ALA H . 16066 1 1142 . 1 1 93 93 ALA HA H 1 4.025 0.002 . 1 . . . . 90 ALA HA . 16066 1 1143 . 1 1 93 93 ALA HB1 H 1 1.406 0.001 . 1 . . . . 90 ALA QB . 16066 1 1144 . 1 1 93 93 ALA HB2 H 1 1.406 0.001 . 1 . . . . 90 ALA QB . 16066 1 1145 . 1 1 93 93 ALA HB3 H 1 1.406 0.001 . 1 . . . . 90 ALA QB . 16066 1 1146 . 1 1 93 93 ALA C C 13 178.55 0 . 1 . . . . 90 ALA C . 16066 1 1147 . 1 1 93 93 ALA CA C 13 54.225 0 . 1 . . . . 90 ALA CA . 16066 1 1148 . 1 1 93 93 ALA CB C 13 18.325 0 . 1 . . . . 90 ALA CB . 16066 1 1149 . 1 1 93 93 ALA N N 15 122.055 0.003 . 1 . . . . 90 ALA N . 16066 1 1150 . 1 1 94 94 VAL H H 1 7.799 0.004 . 1 . . . . 91 VAL H . 16066 1 1151 . 1 1 94 94 VAL HA H 1 3.818 0.002 . 1 . . . . 91 VAL HA . 16066 1 1152 . 1 1 94 94 VAL HB H 1 2.099 0.003 . 1 . . . . 91 VAL HB . 16066 1 1153 . 1 1 94 94 VAL HG11 H 1 0.995 0.002 . 2 . . . . 91 VAL QG1 . 16066 1 1154 . 1 1 94 94 VAL HG12 H 1 0.995 0.002 . 2 . . . . 91 VAL QG1 . 16066 1 1155 . 1 1 94 94 VAL HG13 H 1 0.995 0.002 . 2 . . . . 91 VAL QG1 . 16066 1 1156 . 1 1 94 94 VAL HG21 H 1 0.925 0.001 . 2 . . . . 91 VAL QG2 . 16066 1 1157 . 1 1 94 94 VAL HG22 H 1 0.925 0.001 . 2 . . . . 91 VAL QG2 . 16066 1 1158 . 1 1 94 94 VAL HG23 H 1 0.925 0.001 . 2 . . . . 91 VAL QG2 . 16066 1 1159 . 1 1 94 94 VAL CA C 13 64.167 0 . 1 . . . . 91 VAL CA . 16066 1 1160 . 1 1 94 94 VAL CB C 13 31.825 0 . 1 . . . . 91 VAL CB . 16066 1 1161 . 1 1 94 94 VAL CG1 C 13 21.7 0 . 2 . . . . 91 VAL CG1 . 16066 1 1162 . 1 1 94 94 VAL CG2 C 13 21.058 0 . 2 . . . . 91 VAL CG2 . 16066 1 1163 . 1 1 94 94 VAL N N 15 115.727 0.008 . 1 . . . . 91 VAL N . 16066 1 1164 . 1 1 95 95 LYS H H 1 7.764 0 . 1 . . . . 92 LYS H . 16066 1 1165 . 1 1 95 95 LYS HA H 1 4.197 0.003 . 1 . . . . 92 LYS HA . 16066 1 1166 . 1 1 95 95 LYS HB2 H 1 1.919 0.001 . 2 . . . . 92 LYS HB2 . 16066 1 1167 . 1 1 95 95 LYS HB3 H 1 1.876 0.001 . 2 . . . . 92 LYS HB3 . 16066 1 1168 . 1 1 95 95 LYS HD2 H 1 1.711 0.001 . 2 . . . . 92 LYS QD . 16066 1 1169 . 1 1 95 95 LYS HD3 H 1 1.711 0.001 . 2 . . . . 92 LYS QD . 16066 1 1170 . 1 1 95 95 LYS HE2 H 1 2.979 0.001 . 2 . . . . 92 LYS QE . 16066 1 1171 . 1 1 95 95 LYS HE3 H 1 2.979 0.001 . 2 . . . . 92 LYS QE . 16066 1 1172 . 1 1 95 95 LYS HG2 H 1 1.572 0.001 . 2 . . . . 92 LYS HG2 . 16066 1 1173 . 1 1 95 95 LYS HG3 H 1 1.436 0.001 . 2 . . . . 92 LYS HG3 . 16066 1 1174 . 1 1 95 95 LYS C C 13 177.6 0 . 1 . . . . 92 LYS C . 16066 1 1175 . 1 1 95 95 LYS CA C 13 57.139 0 . 1 . . . . 92 LYS CA . 16066 1 1176 . 1 1 95 95 LYS CB C 13 32.6 0 . 1 . . . . 92 LYS CB . 16066 1 1177 . 1 1 95 95 LYS CD C 13 29.013 0 . 1 . . . . 92 LYS CD . 16066 1 1178 . 1 1 95 95 LYS CE C 13 41.669 0 . 1 . . . . 92 LYS CE . 16066 1 1179 . 1 1 95 95 LYS CG C 13 25.075 0 . 1 . . . . 92 LYS CG . 16066 1 1180 . 1 1 95 95 LYS N N 15 120.823 0 . 1 . . . . 92 LYS N . 16066 1 1181 . 1 1 96 96 ARG H H 1 7.97 0.002 . 1 . . . . 93 ARG H . 16066 1 1182 . 1 1 96 96 ARG HA H 1 4.341 0.003 . 1 . . . . 93 ARG HA . 16066 1 1183 . 1 1 96 96 ARG HB2 H 1 1.928 0.006 . 2 . . . . 93 ARG HB2 . 16066 1 1184 . 1 1 96 96 ARG HB3 H 1 1.796 0.003 . 2 . . . . 93 ARG HB3 . 16066 1 1185 . 1 1 96 96 ARG HD2 H 1 3.215 0.002 . 2 . . . . 93 ARG HD2 . 16066 1 1186 . 1 1 96 96 ARG HD3 H 1 3.108 0.009 . 2 . . . . 93 ARG HD3 . 16066 1 1187 . 1 1 96 96 ARG HG2 H 1 1.53 0 . 2 . . . . 93 ARG QG . 16066 1 1188 . 1 1 96 96 ARG HG3 H 1 1.53 0 . 2 . . . . 93 ARG QG . 16066 1 1189 . 1 1 96 96 ARG C C 13 179.703 0 . 1 . . . . 93 ARG C . 16066 1 1190 . 1 1 96 96 ARG CA C 13 56.295 0 . 1 . . . . 93 ARG CA . 16066 1 1191 . 1 1 96 96 ARG CB C 13 31.4 0 . 1 . . . . 93 ARG CB . 16066 1 1192 . 1 1 96 96 ARG CD C 13 43.92 0 . 1 . . . . 93 ARG CD . 16066 1 1193 . 1 1 96 96 ARG CG C 13 26.759 0 . 1 . . . . 93 ARG CG . 16066 1 1194 . 1 1 96 96 ARG N N 15 119.07 0.098 . 1 . . . . 93 ARG N . 16066 1 1195 . 1 1 97 97 ILE H H 1 8.012 0 . 1 . . . . 94 ILE H . 16066 1 1196 . 1 1 97 97 ILE HA H 1 4.216 0.002 . 1 . . . . 94 ILE HA . 16066 1 1197 . 1 1 97 97 ILE HB H 1 1.899 0 . 1 . . . . 94 ILE HB . 16066 1 1198 . 1 1 97 97 ILE HD11 H 1 0.844 0.001 . 1 . . . . 94 ILE QD1 . 16066 1 1199 . 1 1 97 97 ILE HD12 H 1 0.844 0.001 . 1 . . . . 94 ILE QD1 . 16066 1 1200 . 1 1 97 97 ILE HD13 H 1 0.844 0.001 . 1 . . . . 94 ILE QD1 . 16066 1 1201 . 1 1 97 97 ILE HG12 H 1 1.52 0.002 . 2 . . . . 94 ILE HG12 . 16066 1 1202 . 1 1 97 97 ILE HG13 H 1 1.188 0.001 . 2 . . . . 94 ILE HG13 . 16066 1 1203 . 1 1 97 97 ILE HG21 H 1 0.913 0.001 . 1 . . . . 94 ILE QG2 . 16066 1 1204 . 1 1 97 97 ILE HG22 H 1 0.913 0.001 . 1 . . . . 94 ILE QG2 . 16066 1 1205 . 1 1 97 97 ILE HG23 H 1 0.913 0.001 . 1 . . . . 94 ILE QG2 . 16066 1 1206 . 1 1 97 97 ILE C C 13 175.509 0 . 1 . . . . 94 ILE C . 16066 1 1207 . 1 1 97 97 ILE CA C 13 61.362 0 . 1 . . . . 94 ILE CA . 16066 1 1208 . 1 1 97 97 ILE CB C 13 38.576 0 . 1 . . . . 94 ILE CB . 16066 1 1209 . 1 1 97 97 ILE CD1 C 13 13.543 0 . 1 . . . . 94 ILE CD1 . 16066 1 1210 . 1 1 97 97 ILE CG1 C 13 27.049 0.004 . 1 . . . . 94 ILE CG1 . 16066 1 1211 . 1 1 97 97 ILE CG2 C 13 17.762 0 . 1 . . . . 94 ILE CG2 . 16066 1 1212 . 1 1 97 97 ILE N N 15 120.512 0 . 1 . . . . 94 ILE N . 16066 1 1213 . 1 1 98 98 LEU H H 1 8.228 0.003 . 1 . . . . 95 LEU H . 16066 1 1214 . 1 1 98 98 LEU HA H 1 4.205 0 . 1 . . . . 95 LEU HA . 16066 1 1215 . 1 1 98 98 LEU HB2 H 1 1.595 0 . 2 . . . . 95 LEU HB2 . 16066 1 1216 . 1 1 98 98 LEU HB3 H 1 1.53 0 . 2 . . . . 95 LEU HB3 . 16066 1 1217 . 1 1 98 98 LEU HD11 H 1 0.756 0.001 . 2 . . . . 95 LEU QD1 . 16066 1 1218 . 1 1 98 98 LEU HD12 H 1 0.756 0.001 . 2 . . . . 95 LEU QD1 . 16066 1 1219 . 1 1 98 98 LEU HD13 H 1 0.756 0.001 . 2 . . . . 95 LEU QD1 . 16066 1 1220 . 1 1 98 98 LEU HD21 H 1 0.735 0 . 2 . . . . 95 LEU QD2 . 16066 1 1221 . 1 1 98 98 LEU HD22 H 1 0.735 0 . 2 . . . . 95 LEU QD2 . 16066 1 1222 . 1 1 98 98 LEU HD23 H 1 0.735 0 . 2 . . . . 95 LEU QD2 . 16066 1 1223 . 1 1 98 98 LEU HG H 1 1.635 0 . 1 . . . . 95 LEU HG . 16066 1 1224 . 1 1 98 98 LEU CA C 13 56.576 0 . 1 . . . . 95 LEU CA . 16066 1 1225 . 1 1 98 98 LEU CB C 13 43.357 0 . 1 . . . . 95 LEU CB . 16066 1 1226 . 1 1 98 98 LEU CD1 C 13 23.2 0 . 2 . . . . 95 LEU CD1 . 16066 1 1227 . 1 1 98 98 LEU CD2 C 13 25.075 0 . 2 . . . . 95 LEU CD2 . 16066 1 1228 . 1 1 98 98 LEU CG C 13 26.763 0 . 1 . . . . 95 LEU CG . 16066 1 1229 . 1 1 98 98 LEU N N 15 131.687 0.005 . 1 . . . . 95 LEU N . 16066 1 stop_ save_