data_16065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16065 _Entry.Title ; Structure of E. coli toxin RelE(R81A/R83A)mutant in complex with antitoxin RelBc (K47-L79) peptide ; _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 toxin RelE in the peptide free state.' _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 . . . 16065 2 Yonglong Zhang . . . 16065 3 Masayori Inouye . . . 16065 4 Mitsuhiko Ikura . . . 16065 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' . 16065 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' . 16065 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'antitoxin RelB' . 16065 'protein/protein complex' . 16065 'toxin RelE' . 16065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 16065 '15N chemical shifts' 127 16065 '1H chemical shifts' 993 16065 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' 16065 1 . . 2009-04-22 2008-12-17 original author 'original release' 16065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16066 RelE 16065 BMRB 16067 RelBc 16065 PDB 2KC8 'BMRB Entry Tracking System' 16065 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16065 _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 . . . 16065 1 2 Yonglong Zhang . . . 16065 1 3 Masayori Inouye . . . 16065 1 4 Mitsuhiko Ikura . . . 16065 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antitoxin 16065 1 'mRNA interferase' 16065 1 RelB 16065 1 RelE 16065 1 toxin 16065 1 'translation inhibitor' 16065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16065 _Assembly.ID 1 _Assembly.Name 'RelE:RelBc complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 15447 _Assembly.Enzyme_commission_number . _Assembly.Details 'A complex of toxin RelE with its antitoxin RelB C-terminal inhibitory peptide (RelBc).' _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 'subunit A' 1 $RelE A . yes native no no . Toxin 'The bound RelE is in a slow exchange with the free form.' 16065 1 2 'subunit B' 2 $RelBc B . yes native no no . Antitoxin 'The bound RelBc is in a slow exchange with the free form.' 16065 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 16066 . . 'solution NMR' . 'Chemical shifts of the free toxin RelE that is bound to antitoxin RelBc in this study.' . 16065 1 yes BMRB 16067 . . 'solution NMR' . 'Chemical shifts of the free antitoxin peptide RelBc that is bound to toxin RelE in this study.' . 16065 1 yes PDB 2KC8 . . 'solution NMR' . 'Structure of the complex of toxin RelE bound to antitoxin RelBc.' . 16065 1 yes PDB 2KC9 . . 'solution NMR' . 'Structure of the free toxin RelE that is bound to antitoxin RelBc in this study.' . 16065 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Protein-protein interaction with slow exchange' 16065 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'This is a inhibited state of toxin RelE neutralized by antitoxin RelB.' 16065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RelE _Entity.Sf_category entity _Entity.Sf_framecode RelE _Entity.Entry_ID 16065 _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 2015-11-18 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 16066 . RelE . . . . . 100.00 98 100.00 100.00 3.74e-62 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 1 14 no EMBL CAA26251 . "unnamed protein product [Escherichia coli]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 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 . . . . 16065 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 . . . . 16065 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 . . . . 16065 1 18 no EMBL CDP71409 . "Putative uncharacterized protein relE [Escherichia coli]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 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 . . . . 16065 1 20 no GB AAN43137 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 1 21 no GB AAP17028 . "hypothetical protein S1669 [Shigella flexneri 2a str. 2457T]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 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 . . . . 16065 1 23 no GB ABQ02944 . "relE [Klebsiella pneumoniae]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 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 . . . . 16065 1 25 no REF NP_707430 . "hypothetical protein SF1548 [Shigella flexneri 2a str. 301]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 1 26 no REF WP_000323024 . "hypothetical protein [Escherichia coli]" . . . . . 63.27 77 100.00 100.00 1.19e-35 . . . . 16065 1 27 no REF WP_000323025 . "MULTISPECIES: mRNA interferase RelE [Proteobacteria]" . . . . . 96.94 95 97.89 97.89 3.27e-57 . . . . 16065 1 28 no REF WP_001513653 . "MULTISPECIES: mRNA interferase RelE domain protein [Enterobacteriaceae]" . . . . . 54.08 64 98.11 100.00 3.75e-29 . . . . 16065 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 . . . . 16065 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 . . . . 16065 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Toxin 16065 1 'Transcriptional cofactor' 16065 1 'translation inhibitor' 16065 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 . 16065 1 2 -1 SER . 16065 1 3 0 HIS . 16065 1 4 1 MET . 16065 1 5 2 ALA . 16065 1 6 3 TYR . 16065 1 7 4 PHE . 16065 1 8 5 LEU . 16065 1 9 6 ASP . 16065 1 10 7 PHE . 16065 1 11 8 ASP . 16065 1 12 9 GLU . 16065 1 13 10 ARG . 16065 1 14 11 ALA . 16065 1 15 12 LEU . 16065 1 16 13 LYS . 16065 1 17 14 GLU . 16065 1 18 15 TRP . 16065 1 19 16 ARG . 16065 1 20 17 LYS . 16065 1 21 18 LEU . 16065 1 22 19 GLY . 16065 1 23 20 SER . 16065 1 24 21 THR . 16065 1 25 22 VAL . 16065 1 26 23 ARG . 16065 1 27 24 GLU . 16065 1 28 25 GLN . 16065 1 29 26 LEU . 16065 1 30 27 LYS . 16065 1 31 28 LYS . 16065 1 32 29 LYS . 16065 1 33 30 LEU . 16065 1 34 31 VAL . 16065 1 35 32 GLU . 16065 1 36 33 VAL . 16065 1 37 34 LEU . 16065 1 38 35 GLU . 16065 1 39 36 SER . 16065 1 40 37 PRO . 16065 1 41 38 ARG . 16065 1 42 39 ILE . 16065 1 43 40 GLU . 16065 1 44 41 ALA . 16065 1 45 42 ASN . 16065 1 46 43 LYS . 16065 1 47 44 LEU . 16065 1 48 45 ARG . 16065 1 49 46 GLY . 16065 1 50 47 MET . 16065 1 51 48 PRO . 16065 1 52 49 ASP . 16065 1 53 50 CYS . 16065 1 54 51 TYR . 16065 1 55 52 LYS . 16065 1 56 53 ILE . 16065 1 57 54 LYS . 16065 1 58 55 LEU . 16065 1 59 56 ARG . 16065 1 60 57 SER . 16065 1 61 58 SER . 16065 1 62 59 GLY . 16065 1 63 60 TYR . 16065 1 64 61 ARG . 16065 1 65 62 LEU . 16065 1 66 63 VAL . 16065 1 67 64 TYR . 16065 1 68 65 GLN . 16065 1 69 66 VAL . 16065 1 70 67 ILE . 16065 1 71 68 ASP . 16065 1 72 69 GLU . 16065 1 73 70 LYS . 16065 1 74 71 VAL . 16065 1 75 72 VAL . 16065 1 76 73 VAL . 16065 1 77 74 PHE . 16065 1 78 75 VAL . 16065 1 79 76 ILE . 16065 1 80 77 SER . 16065 1 81 78 VAL . 16065 1 82 79 GLY . 16065 1 83 80 LYS . 16065 1 84 81 ALA . 16065 1 85 82 GLU . 16065 1 86 83 ALA . 16065 1 87 84 SER . 16065 1 88 85 GLU . 16065 1 89 86 VAL . 16065 1 90 87 TYR . 16065 1 91 88 SER . 16065 1 92 89 GLU . 16065 1 93 90 ALA . 16065 1 94 91 VAL . 16065 1 95 92 LYS . 16065 1 96 93 ARG . 16065 1 97 94 ILE . 16065 1 98 95 LEU . 16065 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 16065 1 . SER 2 2 16065 1 . HIS 3 3 16065 1 . MET 4 4 16065 1 . ALA 5 5 16065 1 . TYR 6 6 16065 1 . PHE 7 7 16065 1 . LEU 8 8 16065 1 . ASP 9 9 16065 1 . PHE 10 10 16065 1 . ASP 11 11 16065 1 . GLU 12 12 16065 1 . ARG 13 13 16065 1 . ALA 14 14 16065 1 . LEU 15 15 16065 1 . LYS 16 16 16065 1 . GLU 17 17 16065 1 . TRP 18 18 16065 1 . ARG 19 19 16065 1 . LYS 20 20 16065 1 . LEU 21 21 16065 1 . GLY 22 22 16065 1 . SER 23 23 16065 1 . THR 24 24 16065 1 . VAL 25 25 16065 1 . ARG 26 26 16065 1 . GLU 27 27 16065 1 . GLN 28 28 16065 1 . LEU 29 29 16065 1 . LYS 30 30 16065 1 . LYS 31 31 16065 1 . LYS 32 32 16065 1 . LEU 33 33 16065 1 . VAL 34 34 16065 1 . GLU 35 35 16065 1 . VAL 36 36 16065 1 . LEU 37 37 16065 1 . GLU 38 38 16065 1 . SER 39 39 16065 1 . PRO 40 40 16065 1 . ARG 41 41 16065 1 . ILE 42 42 16065 1 . GLU 43 43 16065 1 . ALA 44 44 16065 1 . ASN 45 45 16065 1 . LYS 46 46 16065 1 . LEU 47 47 16065 1 . ARG 48 48 16065 1 . GLY 49 49 16065 1 . MET 50 50 16065 1 . PRO 51 51 16065 1 . ASP 52 52 16065 1 . CYS 53 53 16065 1 . TYR 54 54 16065 1 . LYS 55 55 16065 1 . ILE 56 56 16065 1 . LYS 57 57 16065 1 . LEU 58 58 16065 1 . ARG 59 59 16065 1 . SER 60 60 16065 1 . SER 61 61 16065 1 . GLY 62 62 16065 1 . TYR 63 63 16065 1 . ARG 64 64 16065 1 . LEU 65 65 16065 1 . VAL 66 66 16065 1 . TYR 67 67 16065 1 . GLN 68 68 16065 1 . VAL 69 69 16065 1 . ILE 70 70 16065 1 . ASP 71 71 16065 1 . GLU 72 72 16065 1 . LYS 73 73 16065 1 . VAL 74 74 16065 1 . VAL 75 75 16065 1 . VAL 76 76 16065 1 . PHE 77 77 16065 1 . VAL 78 78 16065 1 . ILE 79 79 16065 1 . SER 80 80 16065 1 . VAL 81 81 16065 1 . GLY 82 82 16065 1 . LYS 83 83 16065 1 . ALA 84 84 16065 1 . GLU 85 85 16065 1 . ALA 86 86 16065 1 . SER 87 87 16065 1 . GLU 88 88 16065 1 . VAL 89 89 16065 1 . TYR 90 90 16065 1 . SER 91 91 16065 1 . GLU 92 92 16065 1 . ALA 93 93 16065 1 . VAL 94 94 16065 1 . LYS 95 95 16065 1 . ARG 96 96 16065 1 . ILE 97 97 16065 1 . LEU 98 98 16065 1 stop_ save_ save_RelBc _Entity.Sf_category entity _Entity.Sf_framecode RelBc _Entity.Entry_ID 16065 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RelBc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHKQTLLSDEDAELVEIVK ERLRNPKPVRVTLDEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a 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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4128.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 16067 . RelBc . . . . . 100.00 36 100.00 100.00 3.42e-15 . . . . 16065 2 2 no PDB 2KC8 . "Structure Of E. Coli Toxin Rele (R81aR83A) MUTANT IN Complex With Antitoxin Relbc (K47-L79) Peptide" . . . . . 100.00 36 100.00 100.00 3.42e-15 . . . . 16065 2 3 no PDB 4FXE . "Crystal Structure Of The Intact E. Coli Relbe Toxin-Antitoxin Complex" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 4 no DBJ BAA15263 . "bifunctional antitoxin of the RelE-RelB toxin-antitoxin system and transcriptional repressor [Escherichia coli str. K-12 substr" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 5 no DBJ BAI25453 . "bifunctional antitoxin of the RelE-RelB toxin-antitoxin system/transcriptional repressor [Escherichia coli O26:H11 str. 11368]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 6 no DBJ BAJ43364 . "bifunctional antitoxin/transcriptional repressorRelB [Escherichia coli DH1]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 7 no EMBL CAA26250 . "unnamed protein product [Escherichia coli]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 8 no EMBL CAQ98463 . "bifunctional antitoxin of the RelE-RelB toxin-antitoxin system and transcriptional repressor; Qin prophage [Escherichia coli IA" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 9 no EMBL CBG34538 . "antitoxin of the RelE-RelB toxin-antitoxin system and transcriptional repressor of relBEF [Escherichia coli 042]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 10 no EMBL CBK86917 . "addiction module antitoxin, RelB/DinJ family [Enterobacter cloacae subsp. cloacae NCTC 9394]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 11 no EMBL CCF87937 . "Negative regulator of translation [Salmonella enterica subsp. enterica serovar Senftenberg str. SS209]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 12 no GB AAC74637 . "antitoxin of the RelE-RelB toxin-antitoxin syste; transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 13 no GB AAN43138 . "negative regulator of translation [Shigella flexneri 2a str. 301]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 14 no GB AAP17029 . "negative regulator of translation [Shigella flexneri 2a str. 2457T]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 15 no GB ABF03723 . "negative regulator of translation [Shigella flexneri 5 str. 8401]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 16 no GB ABP62831 . "addiction module antitoxin, RelB/DinJ family [Enterobacter sp. 638]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 17 no REF NP_416082 . "antitoxin of the RelE-RelB toxin-antitoxin syste; transcriptional repressor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 18 no REF NP_707431 . "bifunctional antitoxin/transcriptional repressor RelB [Shigella flexneri 2a str. 301]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 19 no REF NP_837222 . "bifunctional antitoxin/transcriptional repressor RelB [Shigella flexneri 2a str. 2457T]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 20 no REF WP_000534858 . "MULTISPECIES: antitoxin of the RelE-RelB toxin-antitoxin syste; transcriptional repressor [Enterobacteriaceae]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 21 no REF WP_001413280 . "antitoxin RelB [Escherichia coli]" . . . . . 94.44 79 97.06 97.06 2.54e-12 . . . . 16065 2 22 no SP P0C079 . "RecName: Full=Antitoxin RelB [Escherichia coli K-12]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 23 no SP P0C080 . "RecName: Full=Antitoxin RelB [Shigella flexneri]" . . . . . 94.44 79 97.06 97.06 2.46e-12 . . . . 16065 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Antitoxin 16065 2 'Transcriptional repressor' 16065 2 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 . 16065 2 2 -1 SER . 16065 2 3 0 HIS . 16065 2 4 47 LYS . 16065 2 5 48 GLN . 16065 2 6 49 THR . 16065 2 7 50 LEU . 16065 2 8 51 LEU . 16065 2 9 52 SER . 16065 2 10 53 ASP . 16065 2 11 54 GLU . 16065 2 12 55 ASP . 16065 2 13 56 ALA . 16065 2 14 57 GLU . 16065 2 15 58 LEU . 16065 2 16 59 VAL . 16065 2 17 60 GLU . 16065 2 18 61 ILE . 16065 2 19 62 VAL . 16065 2 20 63 LYS . 16065 2 21 64 GLU . 16065 2 22 65 ARG . 16065 2 23 66 LEU . 16065 2 24 67 ARG . 16065 2 25 68 ASN . 16065 2 26 69 PRO . 16065 2 27 70 LYS . 16065 2 28 71 PRO . 16065 2 29 72 VAL . 16065 2 30 73 ARG . 16065 2 31 74 VAL . 16065 2 32 75 THR . 16065 2 33 76 LEU . 16065 2 34 77 ASP . 16065 2 35 78 GLU . 16065 2 36 79 LEU . 16065 2 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 16065 2 . SER 2 2 16065 2 . HIS 3 3 16065 2 . LYS 4 4 16065 2 . GLN 5 5 16065 2 . THR 6 6 16065 2 . LEU 7 7 16065 2 . LEU 8 8 16065 2 . SER 9 9 16065 2 . ASP 10 10 16065 2 . GLU 11 11 16065 2 . ASP 12 12 16065 2 . ALA 13 13 16065 2 . GLU 14 14 16065 2 . LEU 15 15 16065 2 . VAL 16 16 16065 2 . GLU 17 17 16065 2 . ILE 18 18 16065 2 . VAL 19 19 16065 2 . LYS 20 20 16065 2 . GLU 21 21 16065 2 . ARG 22 22 16065 2 . LEU 23 23 16065 2 . ARG 24 24 16065 2 . ASN 25 25 16065 2 . PRO 26 26 16065 2 . LYS 27 27 16065 2 . PRO 28 28 16065 2 . VAL 29 29 16065 2 . ARG 30 30 16065 2 . VAL 31 31 16065 2 . THR 32 32 16065 2 . LEU 33 33 16065 2 . ASP 34 34 16065 2 . GLU 35 35 16065 2 . LEU 36 36 16065 2 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 16065 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16065 1 2 2 $RelBc . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16065 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 16065 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28a . . . 'RelE is expressed with his-tag fusion. The his-tag is removed by thrombin afterward.' . . 16065 1 2 2 $RelBc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . PGEX2T . . . 'RelBc (K47-L79) is expressed with GST-tag fusion. The GST-tag is removed by thrombin afterward.' . . 16065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16065 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled RelE complexed with unlabeled RelBc.' _Sample.Aggregate_sample_number 3 _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 . . 0.5 . . mM 0.2 . . . 16065 1 2 RelBc 'natural abundance' . . 2 $RelBc . . 0.5 . . mM 0.2 . . . 16065 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 0 . . . 16065 1 4 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 0 . . . 16065 1 5 DTT 'natural abundance' . . . . . . 1 . . mM 0 . . . 16065 1 6 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM 0 . . . 16065 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16065 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled RelBc complexed with unlabeled RelE.' _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 'natural abundance' . . 1 $RelE . . 0.5 . . mM 0.1 . . . 16065 2 2 RelBc '[U-13C; U-15N]' . . 2 $RelBc . . 0.5 . . mM 0.1 . . . 16065 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 2.5 . . . 16065 2 4 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 50 . . . 16065 2 5 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 16065 2 6 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM 0.1 . . . 16065 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16065 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled RelE complexed with unlabeled RelBc.' _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 . . 0.5 . . mM 0.1 . . . 16065 3 2 RelBc 'natural abundance' . . 2 $RelBc . . 0.5 . . mM 0.1 . . . 16065 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 2.5 . . . 16065 3 4 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 50 . . . 16065 3 5 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 16065 3 6 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM 0.1 . . . 16065 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16065 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled RelBc complexed with unlabeled RelE.' _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 'natural abundance' . . 1 $RelE . . 0.5 . . mM 0.1 . . . 16065 4 2 RelBc '[U-13C; U-15N]' . . 2 $RelBc . . 0.5 . . mM 0.1 . . . 16065 4 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 2.5 . . . 16065 4 4 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM 50 . . . 16065 4 5 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 16065 4 6 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM 0.1 . . . 16065 4 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 16065 _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 16065 1 pH 6.5 0.05 pH 16065 1 pressure 1 . atm 16065 1 temperature 296.5 0.1 K 16065 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16065 _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' . . 16065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16065 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16065 _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' . . 16065 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16065 2 processing 16065 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16065 _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.' . . 16065 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16065 3 'data analysis' 16065 3 'peak picking' 16065 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16065 _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' . . 16065 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOE peak assignments' 16065 4 'structure calculation' 16065 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16065 _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' . . 16065 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16065 5 'structure solution' 16065 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16065 _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' . . 16065 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure analysis' 16065 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16065 _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' . . 16065 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16065 7 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16065 _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 . . 16065 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16065 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 16065 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'UltraStabilized and UltraShield magnet equipped with TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16065 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'UltraStabilized and UltraShield magnet equipped with TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16065 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16065 _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 Bruker Avance . 800 'UltraStabilized and UltraShield magnet equipped with TCI CryoProbe' . . 16065 1 2 spectrometer_2 Bruker Avance . 600 'UltraStabilized and UltraShield magnet equipped with TCI CryoProbe' . . 16065 1 3 spectrometer_3 Varian INOVA . 500 . . . 16065 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 16065 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16065 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 9 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 14 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 15 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 16 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 17 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 18 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16065 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 20 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 22 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 23 '3D X-filtered 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 1 24 '3D X-filtered 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16065 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 16065 _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 . . . . . . . . . 16065 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16065 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16065 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 16065 _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' . . . 16065 1 7 '3D 1H-15N NOESY' . . . 16065 1 8 '2D 1H-13C HSQC' . . . 16065 1 11 '3D 1H-13C NOESY' . . . 16065 1 12 '2D 1H-15N HSQC' . . . 16065 1 17 '3D HNCO' . . . 16065 1 18 '3D 1H-15N NOESY' . . . 16065 1 19 '2D 1H-13C HSQC' . . . 16065 1 22 '3D 1H-13C NOESY' . . . 16065 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 . . 16065 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 8.393 0.002 . 1 . . . . 1 MET H . 16065 1 2 . 1 1 4 4 MET HA H 1 4.385 0.001 . 1 . . . . 1 MET HA . 16065 1 3 . 1 1 4 4 MET HB2 H 1 1.942 0.001 . 2 . . . . 1 MET QB . 16065 1 4 . 1 1 4 4 MET HB3 H 1 1.942 0.001 . 2 . . . . 1 MET QB . 16065 1 5 . 1 1 4 4 MET HE1 H 1 2.036 0.001 . 1 . . . . 1 MET QE . 16065 1 6 . 1 1 4 4 MET HE2 H 1 2.036 0.001 . 1 . . . . 1 MET QE . 16065 1 7 . 1 1 4 4 MET HE3 H 1 2.036 0.001 . 1 . . . . 1 MET QE . 16065 1 8 . 1 1 4 4 MET HG2 H 1 2.483 0 . 2 . . . . 1 MET HG2 . 16065 1 9 . 1 1 4 4 MET HG3 H 1 2.441 0 . 2 . . . . 1 MET HG3 . 16065 1 10 . 1 1 4 4 MET CA C 13 55.214 0 . 1 . . . . 1 MET CA . 16065 1 11 . 1 1 4 4 MET CB C 13 33.266 0 . 1 . . . . 1 MET CB . 16065 1 12 . 1 1 4 4 MET CE C 13 17.158 0 . 1 . . . . 1 MET CE . 16065 1 13 . 1 1 4 4 MET CG C 13 31.892 0.002 . 1 . . . . 1 MET CG . 16065 1 14 . 1 1 4 4 MET N N 15 122.572 0 . 1 . . . . 1 MET N . 16065 1 15 . 1 1 5 5 ALA H H 1 8.098 0 . 1 . . . . 2 ALA H . 16065 1 16 . 1 1 5 5 ALA HA H 1 4.389 0.002 . 1 . . . . 2 ALA HA . 16065 1 17 . 1 1 5 5 ALA HB1 H 1 1.314 0.006 . 1 . . . . 2 ALA QB . 16065 1 18 . 1 1 5 5 ALA HB2 H 1 1.314 0.006 . 1 . . . . 2 ALA QB . 16065 1 19 . 1 1 5 5 ALA HB3 H 1 1.314 0.006 . 1 . . . . 2 ALA QB . 16065 1 20 . 1 1 5 5 ALA CA C 13 51.852 0 . 1 . . . . 2 ALA CA . 16065 1 21 . 1 1 5 5 ALA CB C 13 19.42 0 . 1 . . . . 2 ALA CB . 16065 1 22 . 1 1 5 5 ALA N N 15 125.572 0 . 1 . . . . 2 ALA N . 16065 1 23 . 1 1 6 6 TYR H H 1 8.402 0.002 . 1 . . . . 3 TYR H . 16065 1 24 . 1 1 6 6 TYR HA H 1 4.236 0 . 1 . . . . 3 TYR HA . 16065 1 25 . 1 1 6 6 TYR HB2 H 1 2.927 0.002 . 2 . . . . 3 TYR HB2 . 16065 1 26 . 1 1 6 6 TYR HB3 H 1 2.866 0.004 . 2 . . . . 3 TYR HB3 . 16065 1 27 . 1 1 6 6 TYR HD1 H 1 6.99 0.011 . 3 . . . . 3 TYR QD . 16065 1 28 . 1 1 6 6 TYR HD2 H 1 6.99 0.011 . 3 . . . . 3 TYR QD . 16065 1 29 . 1 1 6 6 TYR HE1 H 1 6.63 0.003 . 3 . . . . 3 TYR QE . 16065 1 30 . 1 1 6 6 TYR HE2 H 1 6.63 0.003 . 3 . . . . 3 TYR QE . 16065 1 31 . 1 1 6 6 TYR CA C 13 57.802 0 . 1 . . . . 3 TYR CA . 16065 1 32 . 1 1 6 6 TYR CB C 13 39.608 0 . 1 . . . . 3 TYR CB . 16065 1 33 . 1 1 6 6 TYR CD1 C 13 132.528 0 . 3 . . . . 3 TYR CD1 . 16065 1 34 . 1 1 6 6 TYR CE1 C 13 117.529 0 . 3 . . . . 3 TYR CE1 . 16065 1 35 . 1 1 6 6 TYR N N 15 120.73 0 . 1 . . . . 3 TYR N . 16065 1 36 . 1 1 7 7 PHE H H 1 8.958 0.003 . 1 . . . . 4 PHE H . 16065 1 37 . 1 1 7 7 PHE HA H 1 4.509 0.002 . 1 . . . . 4 PHE HA . 16065 1 38 . 1 1 7 7 PHE HB2 H 1 2.958 0.002 . 2 . . . . 4 PHE HB2 . 16065 1 39 . 1 1 7 7 PHE HB3 H 1 2.938 0.002 . 2 . . . . 4 PHE HB3 . 16065 1 40 . 1 1 7 7 PHE HD1 H 1 7.453 0.006 . 3 . . . . 4 PHE QD . 16065 1 41 . 1 1 7 7 PHE HD2 H 1 7.453 0.006 . 3 . . . . 4 PHE QD . 16065 1 42 . 1 1 7 7 PHE HE1 H 1 7.38 0.006 . 3 . . . . 4 PHE QE . 16065 1 43 . 1 1 7 7 PHE HE2 H 1 7.38 0.006 . 3 . . . . 4 PHE QE . 16065 1 44 . 1 1 7 7 PHE HZ H 1 7.304 0.003 . 1 . . . . 4 PHE HZ . 16065 1 45 . 1 1 7 7 PHE CA C 13 57.936 0 . 1 . . . . 4 PHE CA . 16065 1 46 . 1 1 7 7 PHE CB C 13 40.613 0 . 1 . . . . 4 PHE CB . 16065 1 47 . 1 1 7 7 PHE CD1 C 13 132.294 0 . 3 . . . . 4 PHE CD1 . 16065 1 48 . 1 1 7 7 PHE CE1 C 13 131.825 0 . 3 . . . . 4 PHE CE1 . 16065 1 49 . 1 1 7 7 PHE CZ C 13 129.796 0 . 1 . . . . 4 PHE CZ . 16065 1 50 . 1 1 7 7 PHE N N 15 118.436 0 . 1 . . . . 4 PHE N . 16065 1 51 . 1 1 8 8 LEU H H 1 8.711 0.002 . 1 . . . . 5 LEU H . 16065 1 52 . 1 1 8 8 LEU HA H 1 5.336 0 . 1 . . . . 5 LEU HA . 16065 1 53 . 1 1 8 8 LEU HB2 H 1 2.237 0.003 . 2 . . . . 5 LEU HB2 . 16065 1 54 . 1 1 8 8 LEU HB3 H 1 1.26 0.003 . 2 . . . . 5 LEU HB3 . 16065 1 55 . 1 1 8 8 LEU HD11 H 1 0.742 0.001 . 2 . . . . 5 LEU QD1 . 16065 1 56 . 1 1 8 8 LEU HD12 H 1 0.742 0.001 . 2 . . . . 5 LEU QD1 . 16065 1 57 . 1 1 8 8 LEU HD13 H 1 0.742 0.001 . 2 . . . . 5 LEU QD1 . 16065 1 58 . 1 1 8 8 LEU HD21 H 1 0.918 0.001 . 2 . . . . 5 LEU QD2 . 16065 1 59 . 1 1 8 8 LEU HD22 H 1 0.918 0.001 . 2 . . . . 5 LEU QD2 . 16065 1 60 . 1 1 8 8 LEU HD23 H 1 0.918 0.001 . 2 . . . . 5 LEU QD2 . 16065 1 61 . 1 1 8 8 LEU HG H 1 1.428 0.002 . 1 . . . . 5 LEU HG . 16065 1 62 . 1 1 8 8 LEU CA C 13 53.391 0 . 1 . . . . 5 LEU CA . 16065 1 63 . 1 1 8 8 LEU CB C 13 44.716 0.006 . 1 . . . . 5 LEU CB . 16065 1 64 . 1 1 8 8 LEU CD1 C 13 27.342 0 . 2 . . . . 5 LEU CD1 . 16065 1 65 . 1 1 8 8 LEU CD2 C 13 23.143 0 . 2 . . . . 5 LEU CD2 . 16065 1 66 . 1 1 8 8 LEU CG C 13 27 0.007 . 1 . . . . 5 LEU CG . 16065 1 67 . 1 1 8 8 LEU N N 15 122.81 0 . 1 . . . . 5 LEU N . 16065 1 68 . 1 1 9 9 ASP H H 1 9.145 0.002 . 1 . . . . 6 ASP H . 16065 1 69 . 1 1 9 9 ASP HA H 1 5.999 0.002 . 1 . . . . 6 ASP HA . 16065 1 70 . 1 1 9 9 ASP HB2 H 1 2.432 0.003 . 2 . . . . 6 ASP HB2 . 16065 1 71 . 1 1 9 9 ASP HB3 H 1 2.198 0.003 . 2 . . . . 6 ASP HB3 . 16065 1 72 . 1 1 9 9 ASP CA C 13 51.759 0 . 1 . . . . 6 ASP CA . 16065 1 73 . 1 1 9 9 ASP CB C 13 44.757 0 . 1 . . . . 6 ASP CB . 16065 1 74 . 1 1 9 9 ASP N N 15 124.57 0 . 1 . . . . 6 ASP N . 16065 1 75 . 1 1 10 10 PHE H H 1 9.884 0.002 . 1 . . . . 7 PHE H . 16065 1 76 . 1 1 10 10 PHE HA H 1 5.231 0.003 . 1 . . . . 7 PHE HA . 16065 1 77 . 1 1 10 10 PHE HB2 H 1 2.908 0.002 . 2 . . . . 7 PHE HB2 . 16065 1 78 . 1 1 10 10 PHE HB3 H 1 2.877 0.002 . 2 . . . . 7 PHE HB3 . 16065 1 79 . 1 1 10 10 PHE HD1 H 1 6.81 0.002 . 3 . . . . 7 PHE QR . 16065 1 80 . 1 1 10 10 PHE HD2 H 1 6.81 0.002 . 3 . . . . 7 PHE QR . 16065 1 81 . 1 1 10 10 PHE HE1 H 1 6.81 0.002 . 3 . . . . 7 PHE QR . 16065 1 82 . 1 1 10 10 PHE HE2 H 1 6.81 0.002 . 3 . . . . 7 PHE QR . 16065 1 83 . 1 1 10 10 PHE CA C 13 55.321 0 . 1 . . . . 7 PHE CA . 16065 1 84 . 1 1 10 10 PHE CB C 13 42.863 0 . 1 . . . . 7 PHE CB . 16065 1 85 . 1 1 10 10 PHE CD1 C 13 129.824 0 . 3 . . . . 7 PHE CD1 . 16065 1 86 . 1 1 10 10 PHE CE1 C 13 129.824 0 . 3 . . . . 7 PHE CE1 . 16065 1 87 . 1 1 10 10 PHE CZ C 13 129.824 0 . 1 . . . . 7 PHE CZ . 16065 1 88 . 1 1 10 10 PHE N N 15 123.156 0 . 1 . . . . 7 PHE N . 16065 1 89 . 1 1 11 11 ASP H H 1 8.986 0.002 . 1 . . . . 8 ASP H . 16065 1 90 . 1 1 11 11 ASP HA H 1 4.924 0.003 . 1 . . . . 8 ASP HA . 16065 1 91 . 1 1 11 11 ASP HB2 H 1 2.741 0.004 . 2 . . . . 8 ASP HB2 . 16065 1 92 . 1 1 11 11 ASP HB3 H 1 2.562 0.003 . 2 . . . . 8 ASP HB3 . 16065 1 93 . 1 1 11 11 ASP CA C 13 55.122 0 . 1 . . . . 8 ASP CA . 16065 1 94 . 1 1 11 11 ASP CB C 13 44.453 0 . 1 . . . . 8 ASP CB . 16065 1 95 . 1 1 11 11 ASP N N 15 123.103 0 . 1 . . . . 8 ASP N . 16065 1 96 . 1 1 12 12 GLU H H 1 9.685 0.002 . 1 . . . . 9 GLU H . 16065 1 97 . 1 1 12 12 GLU HA H 1 3.984 0 . 1 . . . . 9 GLU HA . 16065 1 98 . 1 1 12 12 GLU HB2 H 1 2.178 0.001 . 2 . . . . 9 GLU QB . 16065 1 99 . 1 1 12 12 GLU HB3 H 1 2.178 0.001 . 2 . . . . 9 GLU QB . 16065 1 100 . 1 1 12 12 GLU HG2 H 1 2.58 0 . 2 . . . . 9 GLU HG2 . 16065 1 101 . 1 1 12 12 GLU HG3 H 1 2.338 0 . 2 . . . . 9 GLU HG3 . 16065 1 102 . 1 1 12 12 GLU CA C 13 60.974 0 . 1 . . . . 9 GLU CA . 16065 1 103 . 1 1 12 12 GLU CB C 13 31.222 0 . 1 . . . . 9 GLU CB . 16065 1 104 . 1 1 12 12 GLU CG C 13 36.955 0.001 . 1 . . . . 9 GLU CG . 16065 1 105 . 1 1 12 12 GLU N N 15 128.73 0 . 1 . . . . 9 GLU N . 16065 1 106 . 1 1 13 13 ARG H H 1 9.626 0.004 . 1 . . . . 10 ARG H . 16065 1 107 . 1 1 13 13 ARG HA H 1 4.063 0 . 1 . . . . 10 ARG HA . 16065 1 108 . 1 1 13 13 ARG HB2 H 1 1.948 0 . 2 . . . . 10 ARG QB . 16065 1 109 . 1 1 13 13 ARG HB3 H 1 1.948 0 . 2 . . . . 10 ARG QB . 16065 1 110 . 1 1 13 13 ARG HD2 H 1 3.275 0 . 2 . . . . 10 ARG QD . 16065 1 111 . 1 1 13 13 ARG HD3 H 1 3.275 0 . 2 . . . . 10 ARG QD . 16065 1 112 . 1 1 13 13 ARG HG2 H 1 1.79 0 . 2 . . . . 10 ARG HG2 . 16065 1 113 . 1 1 13 13 ARG HG3 H 1 1.7 0 . 2 . . . . 10 ARG HG3 . 16065 1 114 . 1 1 13 13 ARG CA C 13 59.013 0 . 1 . . . . 10 ARG CA . 16065 1 115 . 1 1 13 13 ARG CB C 13 30.124 0 . 1 . . . . 10 ARG CB . 16065 1 116 . 1 1 13 13 ARG CD C 13 43.182 0 . 1 . . . . 10 ARG CD . 16065 1 117 . 1 1 13 13 ARG CG C 13 27.651 0 . 1 . . . . 10 ARG CG . 16065 1 118 . 1 1 13 13 ARG N N 15 117.93 0 . 1 . . . . 10 ARG N . 16065 1 119 . 1 1 14 14 ALA H H 1 7.268 0.002 . 1 . . . . 11 ALA H . 16065 1 120 . 1 1 14 14 ALA HA H 1 5.323 0.002 . 1 . . . . 11 ALA HA . 16065 1 121 . 1 1 14 14 ALA HB1 H 1 1.428 0.002 . 1 . . . . 11 ALA QB . 16065 1 122 . 1 1 14 14 ALA HB2 H 1 1.428 0.002 . 1 . . . . 11 ALA QB . 16065 1 123 . 1 1 14 14 ALA HB3 H 1 1.428 0.002 . 1 . . . . 11 ALA QB . 16065 1 124 . 1 1 14 14 ALA CA C 13 53.013 0 . 1 . . . . 11 ALA CA . 16065 1 125 . 1 1 14 14 ALA CB C 13 18.072 0 . 1 . . . . 11 ALA CB . 16065 1 126 . 1 1 14 14 ALA N N 15 122.063 0 . 1 . . . . 11 ALA N . 16065 1 127 . 1 1 15 15 LEU H H 1 8.773 0.005 . 1 . . . . 12 LEU H . 16065 1 128 . 1 1 15 15 LEU HA H 1 4.318 0.001 . 1 . . . . 12 LEU HA . 16065 1 129 . 1 1 15 15 LEU HB2 H 1 2.013 0.002 . 2 . . . . 12 LEU HB2 . 16065 1 130 . 1 1 15 15 LEU HB3 H 1 1.459 0.001 . 2 . . . . 12 LEU HB3 . 16065 1 131 . 1 1 15 15 LEU HD11 H 1 0.679 0.002 . 2 . . . . 12 LEU QD1 . 16065 1 132 . 1 1 15 15 LEU HD12 H 1 0.679 0.002 . 2 . . . . 12 LEU QD1 . 16065 1 133 . 1 1 15 15 LEU HD13 H 1 0.679 0.002 . 2 . . . . 12 LEU QD1 . 16065 1 134 . 1 1 15 15 LEU HD21 H 1 0.484 0.002 . 2 . . . . 12 LEU QD2 . 16065 1 135 . 1 1 15 15 LEU HD22 H 1 0.484 0.002 . 2 . . . . 12 LEU QD2 . 16065 1 136 . 1 1 15 15 LEU HD23 H 1 0.484 0.002 . 2 . . . . 12 LEU QD2 . 16065 1 137 . 1 1 15 15 LEU HG H 1 1.593 0.004 . 1 . . . . 12 LEU HG . 16065 1 138 . 1 1 15 15 LEU CA C 13 57.404 0 . 1 . . . . 12 LEU CA . 16065 1 139 . 1 1 15 15 LEU CB C 13 41.842 0.022 . 1 . . . . 12 LEU CB . 16065 1 140 . 1 1 15 15 LEU CD1 C 13 25.033 0 . 2 . . . . 12 LEU CD1 . 16065 1 141 . 1 1 15 15 LEU CD2 C 13 22.777 0 . 2 . . . . 12 LEU CD2 . 16065 1 142 . 1 1 15 15 LEU CG C 13 26.859 0 . 1 . . . . 12 LEU CG . 16065 1 143 . 1 1 15 15 LEU N N 15 121.956 0 . 1 . . . . 12 LEU N . 16065 1 144 . 1 1 16 16 LYS H H 1 7.515 0.004 . 1 . . . . 13 LYS H . 16065 1 145 . 1 1 16 16 LYS HA H 1 4.099 0.002 . 1 . . . . 13 LYS HA . 16065 1 146 . 1 1 16 16 LYS HB2 H 1 2.011 0.002 . 2 . . . . 13 LYS QB . 16065 1 147 . 1 1 16 16 LYS HB3 H 1 2.011 0.002 . 2 . . . . 13 LYS QB . 16065 1 148 . 1 1 16 16 LYS HD2 H 1 1.813 0.004 . 2 . . . . 13 LYS QD . 16065 1 149 . 1 1 16 16 LYS HD3 H 1 1.813 0.004 . 2 . . . . 13 LYS QD . 16065 1 150 . 1 1 16 16 LYS HE2 H 1 3.047 0.002 . 2 . . . . 13 LYS QE . 16065 1 151 . 1 1 16 16 LYS HE3 H 1 3.047 0.002 . 2 . . . . 13 LYS QE . 16065 1 152 . 1 1 16 16 LYS HG2 H 1 1.746 0.001 . 2 . . . . 13 LYS HG2 . 16065 1 153 . 1 1 16 16 LYS HG3 H 1 1.533 0.002 . 2 . . . . 13 LYS HG3 . 16065 1 154 . 1 1 16 16 LYS CA C 13 59.837 0 . 1 . . . . 13 LYS CA . 16065 1 155 . 1 1 16 16 LYS CB C 13 32.297 0 . 1 . . . . 13 LYS CB . 16065 1 156 . 1 1 16 16 LYS CD C 13 29.33 0 . 1 . . . . 13 LYS CD . 16065 1 157 . 1 1 16 16 LYS CE C 13 41.869 0 . 1 . . . . 13 LYS CE . 16065 1 158 . 1 1 16 16 LYS CG C 13 25.425 0 . 1 . . . . 13 LYS CG . 16065 1 159 . 1 1 16 16 LYS N N 15 118.25 0 . 1 . . . . 13 LYS N . 16065 1 160 . 1 1 17 17 GLU H H 1 7.416 0.003 . 1 . . . . 14 GLU H . 16065 1 161 . 1 1 17 17 GLU HA H 1 3.959 0.001 . 1 . . . . 14 GLU HA . 16065 1 162 . 1 1 17 17 GLU HB2 H 1 2.879 0 . 2 . . . . 14 GLU HB2 . 16065 1 163 . 1 1 17 17 GLU HB3 H 1 2.279 0.002 . 2 . . . . 14 GLU HB3 . 16065 1 164 . 1 1 17 17 GLU HG2 H 1 2.72 0 . 2 . . . . 14 GLU HG2 . 16065 1 165 . 1 1 17 17 GLU HG3 H 1 2.616 0.004 . 2 . . . . 14 GLU HG3 . 16065 1 166 . 1 1 17 17 GLU CA C 13 59.458 0 . 1 . . . . 14 GLU CA . 16065 1 167 . 1 1 17 17 GLU CB C 13 29.644 0 . 1 . . . . 14 GLU CB . 16065 1 168 . 1 1 17 17 GLU CG C 13 37.238 0 . 1 . . . . 14 GLU CG . 16065 1 169 . 1 1 17 17 GLU N N 15 118.33 0 . 1 . . . . 14 GLU N . 16065 1 170 . 1 1 18 18 TRP H H 1 9.095 0.01 . 1 . . . . 15 TRP H . 16065 1 171 . 1 1 18 18 TRP HA H 1 4.013 0.001 . 1 . . . . 15 TRP HA . 16065 1 172 . 1 1 18 18 TRP HB2 H 1 3.81 0.003 . 2 . . . . 15 TRP HB2 . 16065 1 173 . 1 1 18 18 TRP HB3 H 1 3.632 0.004 . 2 . . . . 15 TRP HB3 . 16065 1 174 . 1 1 18 18 TRP HD1 H 1 6.885 0.005 . 1 . . . . 15 TRP HD1 . 16065 1 175 . 1 1 18 18 TRP HE3 H 1 7.64 0.005 . 1 . . . . 15 TRP HE3 . 16065 1 176 . 1 1 18 18 TRP HH2 H 1 6.023 0.004 . 1 . . . . 15 TRP HH2 . 16065 1 177 . 1 1 18 18 TRP HZ3 H 1 6.799 0.004 . 1 . . . . 15 TRP HZ3 . 16065 1 178 . 1 1 18 18 TRP CA C 13 60.476 0.001 . 1 . . . . 15 TRP CA . 16065 1 179 . 1 1 18 18 TRP CB C 13 29.644 0 . 1 . . . . 15 TRP CB . 16065 1 180 . 1 1 18 18 TRP CD1 C 13 126.058 0 . 1 . . . . 15 TRP CD1 . 16065 1 181 . 1 1 18 18 TRP CE3 C 13 119.112 0 . 1 . . . . 15 TRP CE3 . 16065 1 182 . 1 1 18 18 TRP N N 15 121.77 0 . 1 . . . . 15 TRP N . 16065 1 183 . 1 1 19 19 ARG H H 1 8.06 0.002 . 1 . . . . 16 ARG H . 16065 1 184 . 1 1 19 19 ARG HA H 1 4.03 0.003 . 1 . . . . 16 ARG HA . 16065 1 185 . 1 1 19 19 ARG HB2 H 1 2.088 0 . 2 . . . . 16 ARG HB2 . 16065 1 186 . 1 1 19 19 ARG HB3 H 1 2.008 0.001 . 2 . . . . 16 ARG HB3 . 16065 1 187 . 1 1 19 19 ARG HD2 H 1 3.291 0.002 . 2 . . . . 16 ARG HD2 . 16065 1 188 . 1 1 19 19 ARG HD3 H 1 3.235 0.002 . 2 . . . . 16 ARG HD3 . 16065 1 189 . 1 1 19 19 ARG HG2 H 1 2.116 0 . 2 . . . . 16 ARG HG2 . 16065 1 190 . 1 1 19 19 ARG HG3 H 1 1.997 0 . 2 . . . . 16 ARG HG3 . 16065 1 191 . 1 1 19 19 ARG CA C 13 57.993 0 . 1 . . . . 16 ARG CA . 16065 1 192 . 1 1 19 19 ARG CB C 13 29.948 0 . 1 . . . . 16 ARG CB . 16065 1 193 . 1 1 19 19 ARG CD C 13 43.452 0.001 . 1 . . . . 16 ARG CD . 16065 1 194 . 1 1 19 19 ARG CG C 13 28.549 0 . 1 . . . . 16 ARG CG . 16065 1 195 . 1 1 19 19 ARG N N 15 113.396 0 . 1 . . . . 16 ARG N . 16065 1 196 . 1 1 20 20 LYS H H 1 7.274 0.002 . 1 . . . . 17 LYS H . 16065 1 197 . 1 1 20 20 LYS HA H 1 4.311 0.001 . 1 . . . . 17 LYS HA . 16065 1 198 . 1 1 20 20 LYS HB2 H 1 2.156 0.002 . 2 . . . . 17 LYS HB2 . 16065 1 199 . 1 1 20 20 LYS HB3 H 1 1.93 0.002 . 2 . . . . 17 LYS HB3 . 16065 1 200 . 1 1 20 20 LYS HD2 H 1 1.789 0.004 . 2 . . . . 17 LYS HD2 . 16065 1 201 . 1 1 20 20 LYS HD3 H 1 1.689 0.002 . 2 . . . . 17 LYS HD3 . 16065 1 202 . 1 1 20 20 LYS HE2 H 1 3.094 0.003 . 2 . . . . 17 LYS HE2 . 16065 1 203 . 1 1 20 20 LYS HE3 H 1 2.999 0.004 . 2 . . . . 17 LYS HE3 . 16065 1 204 . 1 1 20 20 LYS HG2 H 1 1.743 0.001 . 2 . . . . 17 LYS HG2 . 16065 1 205 . 1 1 20 20 LYS HG3 H 1 1.504 0.001 . 2 . . . . 17 LYS HG3 . 16065 1 206 . 1 1 20 20 LYS CA C 13 57.183 0 . 1 . . . . 17 LYS CA . 16065 1 207 . 1 1 20 20 LYS CB C 13 32.106 0 . 1 . . . . 17 LYS CB . 16065 1 208 . 1 1 20 20 LYS CD C 13 27.581 0 . 1 . . . . 17 LYS CD . 16065 1 209 . 1 1 20 20 LYS CE C 13 41.785 0 . 1 . . . . 17 LYS CE . 16065 1 210 . 1 1 20 20 LYS CG C 13 24.862 0 . 1 . . . . 17 LYS CG . 16065 1 211 . 1 1 20 20 LYS N N 15 116.232 0.05 . 1 . . . . 17 LYS N . 16065 1 212 . 1 1 21 21 LEU H H 1 7.359 0.003 . 1 . . . . 18 LEU H . 16065 1 213 . 1 1 21 21 LEU HA H 1 4.074 0.001 . 1 . . . . 18 LEU HA . 16065 1 214 . 1 1 21 21 LEU HB2 H 1 1.526 0.001 . 2 . . . . 18 LEU HB2 . 16065 1 215 . 1 1 21 21 LEU HB3 H 1 0.866 0.003 . 2 . . . . 18 LEU HB3 . 16065 1 216 . 1 1 21 21 LEU HD11 H 1 0.241 0.001 . 2 . . . . 18 LEU QD1 . 16065 1 217 . 1 1 21 21 LEU HD12 H 1 0.241 0.001 . 2 . . . . 18 LEU QD1 . 16065 1 218 . 1 1 21 21 LEU HD13 H 1 0.241 0.001 . 2 . . . . 18 LEU QD1 . 16065 1 219 . 1 1 21 21 LEU HD21 H 1 0.53 0.002 . 2 . . . . 18 LEU QD2 . 16065 1 220 . 1 1 21 21 LEU HD22 H 1 0.53 0.002 . 2 . . . . 18 LEU QD2 . 16065 1 221 . 1 1 21 21 LEU HD23 H 1 0.53 0.002 . 2 . . . . 18 LEU QD2 . 16065 1 222 . 1 1 21 21 LEU HG H 1 1.889 0.001 . 1 . . . . 18 LEU HG . 16065 1 223 . 1 1 21 21 LEU CA C 13 54.367 0 . 1 . . . . 18 LEU CA . 16065 1 224 . 1 1 21 21 LEU CB C 13 43.185 0 . 1 . . . . 18 LEU CB . 16065 1 225 . 1 1 21 21 LEU CD1 C 13 25.921 0 . 2 . . . . 18 LEU CD1 . 16065 1 226 . 1 1 21 21 LEU CD2 C 13 23.128 0.001 . 2 . . . . 18 LEU CD2 . 16065 1 227 . 1 1 21 21 LEU CG C 13 25.55 0 . 1 . . . . 18 LEU CG . 16065 1 228 . 1 1 21 21 LEU N N 15 119.903 0 . 1 . . . . 18 LEU N . 16065 1 229 . 1 1 22 22 GLY H H 1 8.455 0.005 . 1 . . . . 19 GLY H . 16065 1 230 . 1 1 22 22 GLY HA2 H 1 4.103 0 . 2 . . . . 19 GLY HA1 . 16065 1 231 . 1 1 22 22 GLY HA3 H 1 3.888 0.003 . 2 . . . . 19 GLY HA2 . 16065 1 232 . 1 1 22 22 GLY CA C 13 44.739 0 . 1 . . . . 19 GLY CA . 16065 1 233 . 1 1 22 22 GLY N N 15 108.063 0 . 1 . . . . 19 GLY N . 16065 1 234 . 1 1 23 23 SER H H 1 8.711 0.001 . 1 . . . . 20 SER H . 16065 1 235 . 1 1 23 23 SER HA H 1 4.422 0.002 . 1 . . . . 20 SER HA . 16065 1 236 . 1 1 23 23 SER HB2 H 1 3.848 0 . 2 . . . . 20 SER QB . 16065 1 237 . 1 1 23 23 SER HB3 H 1 3.848 0 . 2 . . . . 20 SER QB . 16065 1 238 . 1 1 23 23 SER CA C 13 58.325 0 . 1 . . . . 20 SER CA . 16065 1 239 . 1 1 23 23 SER CB C 13 63.754 0 . 1 . . . . 20 SER CB . 16065 1 240 . 1 1 23 23 SER N N 15 117.509 0 . 1 . . . . 20 SER N . 16065 1 241 . 1 1 24 24 THR H H 1 8.273 0 . 1 . . . . 21 THR H . 16065 1 242 . 1 1 24 24 THR HA H 1 4.026 0 . 1 . . . . 21 THR HA . 16065 1 243 . 1 1 24 24 THR HB H 1 4.19 0 . 1 . . . . 21 THR HB . 16065 1 244 . 1 1 24 24 THR HG21 H 1 1.245 0.001 . 1 . . . . 21 THR QG2 . 16065 1 245 . 1 1 24 24 THR HG22 H 1 1.245 0.001 . 1 . . . . 21 THR QG2 . 16065 1 246 . 1 1 24 24 THR HG23 H 1 1.245 0.001 . 1 . . . . 21 THR QG2 . 16065 1 247 . 1 1 24 24 THR CA C 13 65.605 0 . 1 . . . . 21 THR CA . 16065 1 248 . 1 1 24 24 THR CB C 13 68.013 0 . 1 . . . . 21 THR CB . 16065 1 249 . 1 1 24 24 THR CG2 C 13 21.772 0 . 1 . . . . 21 THR CG2 . 16065 1 250 . 1 1 24 24 THR N N 15 116.047 0 . 1 . . . . 21 THR N . 16065 1 251 . 1 1 25 25 VAL H H 1 7.075 0.003 . 1 . . . . 22 VAL H . 16065 1 252 . 1 1 25 25 VAL HA H 1 3.507 0.002 . 1 . . . . 22 VAL HA . 16065 1 253 . 1 1 25 25 VAL HB H 1 1.59 0.002 . 1 . . . . 22 VAL HB . 16065 1 254 . 1 1 25 25 VAL HG11 H 1 0.665 0.001 . 2 . . . . 22 VAL QG1 . 16065 1 255 . 1 1 25 25 VAL HG12 H 1 0.665 0.001 . 2 . . . . 22 VAL QG1 . 16065 1 256 . 1 1 25 25 VAL HG13 H 1 0.665 0.001 . 2 . . . . 22 VAL QG1 . 16065 1 257 . 1 1 25 25 VAL HG21 H 1 0.168 0.001 . 2 . . . . 22 VAL QG2 . 16065 1 258 . 1 1 25 25 VAL HG22 H 1 0.168 0.001 . 2 . . . . 22 VAL QG2 . 16065 1 259 . 1 1 25 25 VAL HG23 H 1 0.168 0.001 . 2 . . . . 22 VAL QG2 . 16065 1 260 . 1 1 25 25 VAL CA C 13 65.475 0 . 1 . . . . 22 VAL CA . 16065 1 261 . 1 1 25 25 VAL CB C 13 31.319 0 . 1 . . . . 22 VAL CB . 16065 1 262 . 1 1 25 25 VAL CG1 C 13 22.135 0 . 2 . . . . 22 VAL CG1 . 16065 1 263 . 1 1 25 25 VAL CG2 C 13 21.302 0 . 2 . . . . 22 VAL CG2 . 16065 1 264 . 1 1 25 25 VAL N N 15 122.543 0 . 1 . . . . 22 VAL N . 16065 1 265 . 1 1 26 26 ARG H H 1 7.781 0.003 . 1 . . . . 23 ARG H . 16065 1 266 . 1 1 26 26 ARG HA H 1 3.116 0.003 . 1 . . . . 23 ARG HA . 16065 1 267 . 1 1 26 26 ARG HB2 H 1 1.623 0.002 . 2 . . . . 23 ARG HB2 . 16065 1 268 . 1 1 26 26 ARG HB3 H 1 1.597 0.003 . 2 . . . . 23 ARG HB3 . 16065 1 269 . 1 1 26 26 ARG HD2 H 1 2.941 0.002 . 2 . . . . 23 ARG HD2 . 16065 1 270 . 1 1 26 26 ARG HD3 H 1 2.878 0.002 . 2 . . . . 23 ARG HD3 . 16065 1 271 . 1 1 26 26 ARG HG2 H 1 0.941 0.004 . 2 . . . . 23 ARG HG2 . 16065 1 272 . 1 1 26 26 ARG HG3 H 1 0.154 0 . 2 . . . . 23 ARG HG3 . 16065 1 273 . 1 1 26 26 ARG CA C 13 60.215 0 . 1 . . . . 23 ARG CA . 16065 1 274 . 1 1 26 26 ARG CB C 13 30.555 0 . 1 . . . . 23 ARG CB . 16065 1 275 . 1 1 26 26 ARG CD C 13 42.922 0.015 . 1 . . . . 23 ARG CD . 16065 1 276 . 1 1 26 26 ARG CG C 13 29.351 0.011 . 1 . . . . 23 ARG CG . 16065 1 277 . 1 1 26 26 ARG N N 15 118.49 0 . 1 . . . . 23 ARG N . 16065 1 278 . 1 1 27 27 GLU H H 1 8.107 0.003 . 1 . . . . 24 GLU H . 16065 1 279 . 1 1 27 27 GLU HA H 1 4.031 0.001 . 1 . . . . 24 GLU HA . 16065 1 280 . 1 1 27 27 GLU HB2 H 1 2.149 0 . 2 . . . . 24 GLU QB . 16065 1 281 . 1 1 27 27 GLU HB3 H 1 2.149 0 . 2 . . . . 24 GLU QB . 16065 1 282 . 1 1 27 27 GLU HG2 H 1 2.389 0.001 . 2 . . . . 24 GLU QG . 16065 1 283 . 1 1 27 27 GLU HG3 H 1 2.389 0.001 . 2 . . . . 24 GLU QG . 16065 1 284 . 1 1 27 27 GLU CA C 13 59.421 0 . 1 . . . . 24 GLU CA . 16065 1 285 . 1 1 27 27 GLU CB C 13 29.126 0 . 1 . . . . 24 GLU CB . 16065 1 286 . 1 1 27 27 GLU CG C 13 36.039 0 . 1 . . . . 24 GLU CG . 16065 1 287 . 1 1 27 27 GLU N N 15 116.756 0 . 1 . . . . 24 GLU N . 16065 1 288 . 1 1 28 28 GLN H H 1 7.76 0 . 1 . . . . 25 GLN H . 16065 1 289 . 1 1 28 28 GLN HA H 1 4.097 0.004 . 1 . . . . 25 GLN HA . 16065 1 290 . 1 1 28 28 GLN HB2 H 1 2.249 0.001 . 2 . . . . 25 GLN HB2 . 16065 1 291 . 1 1 28 28 GLN HB3 H 1 2.1 0.002 . 2 . . . . 25 GLN HB3 . 16065 1 292 . 1 1 28 28 GLN HE21 H 1 7.337 0.001 . 2 . . . . 25 GLN HE21 . 16065 1 293 . 1 1 28 28 GLN HE22 H 1 6.822 0 . 2 . . . . 25 GLN HE22 . 16065 1 294 . 1 1 28 28 GLN HG2 H 1 2.721 0.001 . 2 . . . . 25 GLN HG2 . 16065 1 295 . 1 1 28 28 GLN HG3 H 1 2.46 0.004 . 2 . . . . 25 GLN HG3 . 16065 1 296 . 1 1 28 28 GLN CA C 13 59.055 0 . 1 . . . . 25 GLN CA . 16065 1 297 . 1 1 28 28 GLN CB C 13 29.925 0 . 1 . . . . 25 GLN CB . 16065 1 298 . 1 1 28 28 GLN CG C 13 34.296 0 . 1 . . . . 25 GLN CG . 16065 1 299 . 1 1 28 28 GLN N N 15 118.41 0 . 1 . . . . 25 GLN N . 16065 1 300 . 1 1 28 28 GLN NE2 N 15 111.134 0 . 1 . . . . 25 GLN NE2 . 16065 1 301 . 1 1 29 29 LEU H H 1 8.631 0.002 . 1 . . . . 26 LEU H . 16065 1 302 . 1 1 29 29 LEU HA H 1 4.145 0.002 . 1 . . . . 26 LEU HA . 16065 1 303 . 1 1 29 29 LEU HB2 H 1 2.219 0.004 . 2 . . . . 26 LEU HB2 . 16065 1 304 . 1 1 29 29 LEU HB3 H 1 1.497 0.005 . 2 . . . . 26 LEU HB3 . 16065 1 305 . 1 1 29 29 LEU HD11 H 1 0.688 0.002 . 2 . . . . 26 LEU QD1 . 16065 1 306 . 1 1 29 29 LEU HD12 H 1 0.688 0.002 . 2 . . . . 26 LEU QD1 . 16065 1 307 . 1 1 29 29 LEU HD13 H 1 0.688 0.002 . 2 . . . . 26 LEU QD1 . 16065 1 308 . 1 1 29 29 LEU HD21 H 1 0.811 0.001 . 2 . . . . 26 LEU QD2 . 16065 1 309 . 1 1 29 29 LEU HD22 H 1 0.811 0.001 . 2 . . . . 26 LEU QD2 . 16065 1 310 . 1 1 29 29 LEU HD23 H 1 0.811 0.001 . 2 . . . . 26 LEU QD2 . 16065 1 311 . 1 1 29 29 LEU HG H 1 1.79 0.002 . 1 . . . . 26 LEU HG . 16065 1 312 . 1 1 29 29 LEU CA C 13 57.929 0 . 1 . . . . 26 LEU CA . 16065 1 313 . 1 1 29 29 LEU CB C 13 42.787 0 . 1 . . . . 26 LEU CB . 16065 1 314 . 1 1 29 29 LEU CD1 C 13 26.68 0 . 2 . . . . 26 LEU CD1 . 16065 1 315 . 1 1 29 29 LEU CD2 C 13 23.153 0 . 2 . . . . 26 LEU CD2 . 16065 1 316 . 1 1 29 29 LEU CG C 13 27.287 0 . 1 . . . . 26 LEU CG . 16065 1 317 . 1 1 29 29 LEU N N 15 119.716 0 . 1 . . . . 26 LEU N . 16065 1 318 . 1 1 30 30 LYS H H 1 9.183 0.002 . 1 . . . . 27 LYS H . 16065 1 319 . 1 1 30 30 LYS HA H 1 3.981 0.004 . 1 . . . . 27 LYS HA . 16065 1 320 . 1 1 30 30 LYS HB2 H 1 2.123 0.008 . 2 . . . . 27 LYS QB . 16065 1 321 . 1 1 30 30 LYS HB3 H 1 2.123 0.008 . 2 . . . . 27 LYS QB . 16065 1 322 . 1 1 30 30 LYS HD2 H 1 1.851 0.004 . 2 . . . . 27 LYS HD2 . 16065 1 323 . 1 1 30 30 LYS HD3 H 1 1.766 0.004 . 2 . . . . 27 LYS HD3 . 16065 1 324 . 1 1 30 30 LYS HE2 H 1 3.043 0 . 2 . . . . 27 LYS QE . 16065 1 325 . 1 1 30 30 LYS HE3 H 1 3.043 0 . 2 . . . . 27 LYS QE . 16065 1 326 . 1 1 30 30 LYS HG2 H 1 2.021 0.003 . 2 . . . . 27 LYS HG2 . 16065 1 327 . 1 1 30 30 LYS HG3 H 1 1.424 0.002 . 2 . . . . 27 LYS HG3 . 16065 1 328 . 1 1 30 30 LYS CA C 13 61.364 0.001 . 1 . . . . 27 LYS CA . 16065 1 329 . 1 1 30 30 LYS CB C 13 32.137 0 . 1 . . . . 27 LYS CB . 16065 1 330 . 1 1 30 30 LYS CD C 13 29.592 0 . 1 . . . . 27 LYS CD . 16065 1 331 . 1 1 30 30 LYS CE C 13 41.453 0 . 1 . . . . 27 LYS CE . 16065 1 332 . 1 1 30 30 LYS CG C 13 27.098 0.048 . 1 . . . . 27 LYS CG . 16065 1 333 . 1 1 30 30 LYS N N 15 120.836 0 . 1 . . . . 27 LYS N . 16065 1 334 . 1 1 31 31 LYS H H 1 7.58 0.002 . 1 . . . . 28 LYS H . 16065 1 335 . 1 1 31 31 LYS HA H 1 4.05 0.001 . 1 . . . . 28 LYS HA . 16065 1 336 . 1 1 31 31 LYS HB2 H 1 1.989 0.001 . 2 . . . . 28 LYS QB . 16065 1 337 . 1 1 31 31 LYS HB3 H 1 1.989 0.001 . 2 . . . . 28 LYS QB . 16065 1 338 . 1 1 31 31 LYS HD2 H 1 1.761 0.001 . 2 . . . . 28 LYS QD . 16065 1 339 . 1 1 31 31 LYS HD3 H 1 1.761 0.001 . 2 . . . . 28 LYS QD . 16065 1 340 . 1 1 31 31 LYS HE2 H 1 3.044 0.001 . 2 . . . . 28 LYS QE . 16065 1 341 . 1 1 31 31 LYS HE3 H 1 3.044 0.001 . 2 . . . . 28 LYS QE . 16065 1 342 . 1 1 31 31 LYS HG2 H 1 1.723 0 . 2 . . . . 28 LYS HG2 . 16065 1 343 . 1 1 31 31 LYS HG3 H 1 1.531 0 . 2 . . . . 28 LYS HG3 . 16065 1 344 . 1 1 31 31 LYS CA C 13 59.586 0 . 1 . . . . 28 LYS CA . 16065 1 345 . 1 1 31 31 LYS CB C 13 32.373 0 . 1 . . . . 28 LYS CB . 16065 1 346 . 1 1 31 31 LYS CD C 13 29.107 0 . 1 . . . . 28 LYS CD . 16065 1 347 . 1 1 31 31 LYS CE C 13 41.962 0 . 1 . . . . 28 LYS CE . 16065 1 348 . 1 1 31 31 LYS CG C 13 25.427 0.019 . 1 . . . . 28 LYS CG . 16065 1 349 . 1 1 31 31 LYS N N 15 116.783 0 . 1 . . . . 28 LYS N . 16065 1 350 . 1 1 32 32 LYS H H 1 7.3 0.002 . 1 . . . . 29 LYS H . 16065 1 351 . 1 1 32 32 LYS HA H 1 4.09 0 . 1 . . . . 29 LYS HA . 16065 1 352 . 1 1 32 32 LYS HB2 H 1 1.965 0 . 2 . . . . 29 LYS QB . 16065 1 353 . 1 1 32 32 LYS HB3 H 1 1.965 0 . 2 . . . . 29 LYS QB . 16065 1 354 . 1 1 32 32 LYS HD2 H 1 2.147 0 . 2 . . . . 29 LYS QD . 16065 1 355 . 1 1 32 32 LYS HD3 H 1 2.147 0 . 2 . . . . 29 LYS QD . 16065 1 356 . 1 1 32 32 LYS HE2 H 1 3.069 0 . 2 . . . . 29 LYS QE . 16065 1 357 . 1 1 32 32 LYS HE3 H 1 3.069 0 . 2 . . . . 29 LYS QE . 16065 1 358 . 1 1 32 32 LYS HG2 H 1 0.876 0 . 2 . . . . 29 LYS QG . 16065 1 359 . 1 1 32 32 LYS HG3 H 1 0.876 0 . 2 . . . . 29 LYS QG . 16065 1 360 . 1 1 32 32 LYS CA C 13 57.13 0 . 1 . . . . 29 LYS CA . 16065 1 361 . 1 1 32 32 LYS N N 15 116.383 0 . 1 . . . . 29 LYS N . 16065 1 362 . 1 1 33 33 LEU H H 1 8.722 0.001 . 1 . . . . 30 LEU H . 16065 1 363 . 1 1 33 33 LEU HA H 1 3.881 0.001 . 1 . . . . 30 LEU HA . 16065 1 364 . 1 1 33 33 LEU HB2 H 1 1.993 0.003 . 2 . . . . 30 LEU HB2 . 16065 1 365 . 1 1 33 33 LEU HB3 H 1 1.376 0.002 . 2 . . . . 30 LEU HB3 . 16065 1 366 . 1 1 33 33 LEU HD11 H 1 0.669 0.001 . 2 . . . . 30 LEU QD1 . 16065 1 367 . 1 1 33 33 LEU HD12 H 1 0.669 0.001 . 2 . . . . 30 LEU QD1 . 16065 1 368 . 1 1 33 33 LEU HD13 H 1 0.669 0.001 . 2 . . . . 30 LEU QD1 . 16065 1 369 . 1 1 33 33 LEU HD21 H 1 0.571 0.001 . 2 . . . . 30 LEU QD2 . 16065 1 370 . 1 1 33 33 LEU HD22 H 1 0.571 0.001 . 2 . . . . 30 LEU QD2 . 16065 1 371 . 1 1 33 33 LEU HD23 H 1 0.571 0.001 . 2 . . . . 30 LEU QD2 . 16065 1 372 . 1 1 33 33 LEU HG H 1 1.637 0.003 . 1 . . . . 30 LEU HG . 16065 1 373 . 1 1 33 33 LEU CA C 13 57.634 0 . 1 . . . . 30 LEU CA . 16065 1 374 . 1 1 33 33 LEU CB C 13 42.116 0.058 . 1 . . . . 30 LEU CB . 16065 1 375 . 1 1 33 33 LEU CD1 C 13 24.536 0 . 2 . . . . 30 LEU CD1 . 16065 1 376 . 1 1 33 33 LEU CD2 C 13 23.184 0 . 2 . . . . 30 LEU CD2 . 16065 1 377 . 1 1 33 33 LEU CG C 13 26.986 0 . 1 . . . . 30 LEU CG . 16065 1 378 . 1 1 33 33 LEU N N 15 121.77 0 . 1 . . . . 30 LEU N . 16065 1 379 . 1 1 34 34 VAL H H 1 8.067 0.002 . 1 . . . . 31 VAL H . 16065 1 380 . 1 1 34 34 VAL HA H 1 3.479 0.001 . 1 . . . . 31 VAL HA . 16065 1 381 . 1 1 34 34 VAL HB H 1 2.173 0.001 . 1 . . . . 31 VAL HB . 16065 1 382 . 1 1 34 34 VAL HG11 H 1 1.135 0.002 . 2 . . . . 31 VAL QG1 . 16065 1 383 . 1 1 34 34 VAL HG12 H 1 1.135 0.002 . 2 . . . . 31 VAL QG1 . 16065 1 384 . 1 1 34 34 VAL HG13 H 1 1.135 0.002 . 2 . . . . 31 VAL QG1 . 16065 1 385 . 1 1 34 34 VAL HG21 H 1 0.965 0.001 . 2 . . . . 31 VAL QG2 . 16065 1 386 . 1 1 34 34 VAL HG22 H 1 0.965 0.001 . 2 . . . . 31 VAL QG2 . 16065 1 387 . 1 1 34 34 VAL HG23 H 1 0.965 0.001 . 2 . . . . 31 VAL QG2 . 16065 1 388 . 1 1 34 34 VAL CA C 13 66.847 0 . 1 . . . . 31 VAL CA . 16065 1 389 . 1 1 34 34 VAL CB C 13 31.86 0 . 1 . . . . 31 VAL CB . 16065 1 390 . 1 1 34 34 VAL CG1 C 13 23.355 0 . 2 . . . . 31 VAL CG1 . 16065 1 391 . 1 1 34 34 VAL CG2 C 13 21.045 0 . 2 . . . . 31 VAL CG2 . 16065 1 392 . 1 1 34 34 VAL N N 15 118.116 0 . 1 . . . . 31 VAL N . 16065 1 393 . 1 1 35 35 GLU H H 1 6.825 0.001 . 1 . . . . 32 GLU H . 16065 1 394 . 1 1 35 35 GLU HA H 1 4.09 0.002 . 1 . . . . 32 GLU HA . 16065 1 395 . 1 1 35 35 GLU HB2 H 1 2.247 0.002 . 2 . . . . 32 GLU HB2 . 16065 1 396 . 1 1 35 35 GLU HB3 H 1 2.111 0.003 . 2 . . . . 32 GLU HB3 . 16065 1 397 . 1 1 35 35 GLU HG2 H 1 2.501 0.001 . 2 . . . . 32 GLU HG2 . 16065 1 398 . 1 1 35 35 GLU HG3 H 1 2.246 0.002 . 2 . . . . 32 GLU HG3 . 16065 1 399 . 1 1 35 35 GLU CA C 13 58.624 0 . 1 . . . . 32 GLU CA . 16065 1 400 . 1 1 35 35 GLU CB C 13 29.746 0 . 1 . . . . 32 GLU CB . 16065 1 401 . 1 1 35 35 GLU CG C 13 36.147 0.002 . 1 . . . . 32 GLU CG . 16065 1 402 . 1 1 35 35 GLU N N 15 116.57 0 . 1 . . . . 32 GLU N . 16065 1 403 . 1 1 36 36 VAL H H 1 7.785 0.002 . 1 . . . . 33 VAL H . 16065 1 404 . 1 1 36 36 VAL HA H 1 3.484 0.004 . 1 . . . . 33 VAL HA . 16065 1 405 . 1 1 36 36 VAL HB H 1 2.042 0.002 . 1 . . . . 33 VAL HB . 16065 1 406 . 1 1 36 36 VAL HG11 H 1 0.891 0.001 . 2 . . . . 33 VAL QG1 . 16065 1 407 . 1 1 36 36 VAL HG12 H 1 0.891 0.001 . 2 . . . . 33 VAL QG1 . 16065 1 408 . 1 1 36 36 VAL HG13 H 1 0.891 0.001 . 2 . . . . 33 VAL QG1 . 16065 1 409 . 1 1 36 36 VAL HG21 H 1 0.288 0.003 . 2 . . . . 33 VAL QG2 . 16065 1 410 . 1 1 36 36 VAL HG22 H 1 0.288 0.003 . 2 . . . . 33 VAL QG2 . 16065 1 411 . 1 1 36 36 VAL HG23 H 1 0.288 0.003 . 2 . . . . 33 VAL QG2 . 16065 1 412 . 1 1 36 36 VAL CA C 13 65.213 0 . 1 . . . . 33 VAL CA . 16065 1 413 . 1 1 36 36 VAL CB C 13 31.932 0 . 1 . . . . 33 VAL CB . 16065 1 414 . 1 1 36 36 VAL CG1 C 13 22.05 0 . 2 . . . . 33 VAL CG1 . 16065 1 415 . 1 1 36 36 VAL CG2 C 13 20.746 0 . 2 . . . . 33 VAL CG2 . 16065 1 416 . 1 1 36 36 VAL N N 15 120.618 0.024 . 1 . . . . 33 VAL N . 16065 1 417 . 1 1 37 37 LEU H H 1 7.956 0.001 . 1 . . . . 34 LEU H . 16065 1 418 . 1 1 37 37 LEU HA H 1 3.747 0.001 . 1 . . . . 34 LEU HA . 16065 1 419 . 1 1 37 37 LEU HB2 H 1 1.854 0 . 2 . . . . 34 LEU HB2 . 16065 1 420 . 1 1 37 37 LEU HB3 H 1 1.627 0.002 . 2 . . . . 34 LEU HB3 . 16065 1 421 . 1 1 37 37 LEU HD11 H 1 0.901 0 . 2 . . . . 34 LEU QD1 . 16065 1 422 . 1 1 37 37 LEU HD12 H 1 0.901 0 . 2 . . . . 34 LEU QD1 . 16065 1 423 . 1 1 37 37 LEU HD13 H 1 0.901 0 . 2 . . . . 34 LEU QD1 . 16065 1 424 . 1 1 37 37 LEU HD21 H 1 0.688 0.001 . 2 . . . . 34 LEU QD2 . 16065 1 425 . 1 1 37 37 LEU HD22 H 1 0.688 0.001 . 2 . . . . 34 LEU QD2 . 16065 1 426 . 1 1 37 37 LEU HD23 H 1 0.688 0.001 . 2 . . . . 34 LEU QD2 . 16065 1 427 . 1 1 37 37 LEU HG H 1 1.872 0.002 . 1 . . . . 34 LEU HG . 16065 1 428 . 1 1 37 37 LEU CA C 13 57.069 0.001 . 1 . . . . 34 LEU CA . 16065 1 429 . 1 1 37 37 LEU CB C 13 40.916 0 . 1 . . . . 34 LEU CB . 16065 1 430 . 1 1 37 37 LEU CD1 C 13 25.64 0 . 2 . . . . 34 LEU CD1 . 16065 1 431 . 1 1 37 37 LEU CD2 C 13 22.35 0 . 2 . . . . 34 LEU CD2 . 16065 1 432 . 1 1 37 37 LEU CG C 13 26.706 0 . 1 . . . . 34 LEU CG . 16065 1 433 . 1 1 37 37 LEU N N 15 115.476 0 . 1 . . . . 34 LEU N . 16065 1 434 . 1 1 38 38 GLU H H 1 7.042 0.004 . 1 . . . . 35 GLU H . 16065 1 435 . 1 1 38 38 GLU HA H 1 4.395 0.001 . 1 . . . . 35 GLU HA . 16065 1 436 . 1 1 38 38 GLU HB2 H 1 2.092 0.002 . 2 . . . . 35 GLU HB2 . 16065 1 437 . 1 1 38 38 GLU HB3 H 1 2.039 0.001 . 2 . . . . 35 GLU HB3 . 16065 1 438 . 1 1 38 38 GLU HG2 H 1 2.438 0 . 2 . . . . 35 GLU HG2 . 16065 1 439 . 1 1 38 38 GLU HG3 H 1 2.256 0.001 . 2 . . . . 35 GLU HG3 . 16065 1 440 . 1 1 38 38 GLU CA C 13 57.553 0 . 1 . . . . 35 GLU CA . 16065 1 441 . 1 1 38 38 GLU CB C 13 30.234 0 . 1 . . . . 35 GLU CB . 16065 1 442 . 1 1 38 38 GLU CG C 13 35.975 0 . 1 . . . . 35 GLU CG . 16065 1 443 . 1 1 38 38 GLU N N 15 114.356 0 . 1 . . . . 35 GLU N . 16065 1 444 . 1 1 39 39 SER H H 1 7.125 0.003 . 1 . . . . 36 SER H . 16065 1 445 . 1 1 39 39 SER HA H 1 4.593 0 . 1 . . . . 36 SER HA . 16065 1 446 . 1 1 39 39 SER HB2 H 1 3.834 0 . 2 . . . . 36 SER HB2 . 16065 1 447 . 1 1 39 39 SER HB3 H 1 3.699 0 . 2 . . . . 36 SER HB3 . 16065 1 448 . 1 1 39 39 SER CA C 13 55.308 0 . 1 . . . . 36 SER CA . 16065 1 449 . 1 1 39 39 SER CB C 13 62.305 0.016 . 1 . . . . 36 SER CB . 16065 1 450 . 1 1 39 39 SER N N 15 109.796 0 . 1 . . . . 36 SER N . 16065 1 451 . 1 1 40 40 PRO HA H 1 4.36 0.003 . 1 . . . . 37 PRO HA . 16065 1 452 . 1 1 40 40 PRO HB2 H 1 1.72 0.005 . 2 . . . . 37 PRO HB2 . 16065 1 453 . 1 1 40 40 PRO HB3 H 1 1.375 0.004 . 2 . . . . 37 PRO HB3 . 16065 1 454 . 1 1 40 40 PRO HD2 H 1 3.446 0.005 . 2 . . . . 37 PRO HD2 . 16065 1 455 . 1 1 40 40 PRO HD3 H 1 2.974 0.003 . 2 . . . . 37 PRO HD3 . 16065 1 456 . 1 1 40 40 PRO HG2 H 1 1.058 0.008 . 2 . . . . 37 PRO HG2 . 16065 1 457 . 1 1 40 40 PRO HG3 H 1 0.42 0.003 . 2 . . . . 37 PRO HG3 . 16065 1 458 . 1 1 40 40 PRO CA C 13 64.802 0 . 1 . . . . 37 PRO CA . 16065 1 459 . 1 1 40 40 PRO CB C 13 32.562 0 . 1 . . . . 37 PRO CB . 16065 1 460 . 1 1 40 40 PRO CD C 13 50.303 0.01 . 1 . . . . 37 PRO CD . 16065 1 461 . 1 1 40 40 PRO CG C 13 25.424 0.001 . 1 . . . . 37 PRO CG . 16065 1 462 . 1 1 41 41 ARG H H 1 8.356 0.002 . 1 . . . . 38 ARG H . 16065 1 463 . 1 1 41 41 ARG HA H 1 3.271 0.003 . 1 . . . . 38 ARG HA . 16065 1 464 . 1 1 41 41 ARG HB2 H 1 1.57 0 . 2 . . . . 38 ARG QB . 16065 1 465 . 1 1 41 41 ARG HB3 H 1 1.57 0 . 2 . . . . 38 ARG QB . 16065 1 466 . 1 1 41 41 ARG HD2 H 1 3.51 0 . 2 . . . . 38 ARG QD . 16065 1 467 . 1 1 41 41 ARG HD3 H 1 3.51 0 . 2 . . . . 38 ARG QD . 16065 1 468 . 1 1 41 41 ARG HG2 H 1 1.89 0 . 2 . . . . 38 ARG QG . 16065 1 469 . 1 1 41 41 ARG HG3 H 1 1.89 0 . 2 . . . . 38 ARG QG . 16065 1 470 . 1 1 41 41 ARG CA C 13 56.364 0 . 1 . . . . 38 ARG CA . 16065 1 471 . 1 1 41 41 ARG CB C 13 29.58 0 . 1 . . . . 38 ARG CB . 16065 1 472 . 1 1 41 41 ARG CD C 13 43.2 0 . 1 . . . . 38 ARG CD . 16065 1 473 . 1 1 41 41 ARG CG C 13 27.8 0 . 1 . . . . 38 ARG CG . 16065 1 474 . 1 1 41 41 ARG N N 15 120.882 0 . 1 . . . . 38 ARG N . 16065 1 475 . 1 1 42 42 ILE H H 1 5.973 0.003 . 1 . . . . 39 ILE H . 16065 1 476 . 1 1 42 42 ILE HA H 1 4.216 0.003 . 1 . . . . 39 ILE HA . 16065 1 477 . 1 1 42 42 ILE HB H 1 1.769 0.002 . 1 . . . . 39 ILE HB . 16065 1 478 . 1 1 42 42 ILE HD11 H 1 0.857 0.001 . 1 . . . . 39 ILE QD1 . 16065 1 479 . 1 1 42 42 ILE HD12 H 1 0.857 0.001 . 1 . . . . 39 ILE QD1 . 16065 1 480 . 1 1 42 42 ILE HD13 H 1 0.857 0.001 . 1 . . . . 39 ILE QD1 . 16065 1 481 . 1 1 42 42 ILE HG12 H 1 1.365 0 . 2 . . . . 39 ILE HG12 . 16065 1 482 . 1 1 42 42 ILE HG13 H 1 1.014 0.001 . 2 . . . . 39 ILE HG13 . 16065 1 483 . 1 1 42 42 ILE HG21 H 1 0.939 0.001 . 1 . . . . 39 ILE QG2 . 16065 1 484 . 1 1 42 42 ILE HG22 H 1 0.939 0.001 . 1 . . . . 39 ILE QG2 . 16065 1 485 . 1 1 42 42 ILE HG23 H 1 0.939 0.001 . 1 . . . . 39 ILE QG2 . 16065 1 486 . 1 1 42 42 ILE CA C 13 60.301 0 . 1 . . . . 39 ILE CA . 16065 1 487 . 1 1 42 42 ILE CB C 13 38.705 0 . 1 . . . . 39 ILE CB . 16065 1 488 . 1 1 42 42 ILE CD1 C 13 13.39 0 . 1 . . . . 39 ILE CD1 . 16065 1 489 . 1 1 42 42 ILE CG1 C 13 26.68 0 . 1 . . . . 39 ILE CG1 . 16065 1 490 . 1 1 42 42 ILE CG2 C 13 18.223 0 . 1 . . . . 39 ILE CG2 . 16065 1 491 . 1 1 42 42 ILE N N 15 127.866 0 . 1 . . . . 39 ILE N . 16065 1 492 . 1 1 43 43 GLU H H 1 8.86 0.002 . 1 . . . . 40 GLU H . 16065 1 493 . 1 1 43 43 GLU HA H 1 4.218 0.001 . 1 . . . . 40 GLU HA . 16065 1 494 . 1 1 43 43 GLU HB2 H 1 2.124 0 . 2 . . . . 40 GLU QB . 16065 1 495 . 1 1 43 43 GLU HB3 H 1 2.124 0 . 2 . . . . 40 GLU QB . 16065 1 496 . 1 1 43 43 GLU HG2 H 1 2.41 0.003 . 2 . . . . 40 GLU QG . 16065 1 497 . 1 1 43 43 GLU HG3 H 1 2.41 0.003 . 2 . . . . 40 GLU QG . 16065 1 498 . 1 1 43 43 GLU CA C 13 59.945 0 . 1 . . . . 40 GLU CA . 16065 1 499 . 1 1 43 43 GLU CB C 13 29.04 0 . 1 . . . . 40 GLU CB . 16065 1 500 . 1 1 43 43 GLU CG C 13 35.532 0 . 1 . . . . 40 GLU CG . 16065 1 501 . 1 1 43 43 GLU N N 15 129.498 0 . 1 . . . . 40 GLU N . 16065 1 502 . 1 1 44 44 ALA H H 1 8.827 0.001 . 1 . . . . 41 ALA H . 16065 1 503 . 1 1 44 44 ALA HA H 1 4.241 0.001 . 1 . . . . 41 ALA HA . 16065 1 504 . 1 1 44 44 ALA HB1 H 1 1.426 0 . 1 . . . . 41 ALA QB . 16065 1 505 . 1 1 44 44 ALA HB2 H 1 1.426 0 . 1 . . . . 41 ALA QB . 16065 1 506 . 1 1 44 44 ALA HB3 H 1 1.426 0 . 1 . . . . 41 ALA QB . 16065 1 507 . 1 1 44 44 ALA CA C 13 54.035 0 . 1 . . . . 41 ALA CA . 16065 1 508 . 1 1 44 44 ALA CB C 13 18.466 0 . 1 . . . . 41 ALA CB . 16065 1 509 . 1 1 44 44 ALA N N 15 119.919 0 . 1 . . . . 41 ALA N . 16065 1 510 . 1 1 45 45 ASN H H 1 8.184 0.002 . 1 . . . . 42 ASN H . 16065 1 511 . 1 1 45 45 ASN HA H 1 5.082 0 . 1 . . . . 42 ASN HA . 16065 1 512 . 1 1 45 45 ASN HB2 H 1 4.062 0.002 . 2 . . . . 42 ASN HB2 . 16065 1 513 . 1 1 45 45 ASN HB3 H 1 2.923 0.002 . 2 . . . . 42 ASN HB3 . 16065 1 514 . 1 1 45 45 ASN HD21 H 1 7.445 0.003 . 2 . . . . 42 ASN HD21 . 16065 1 515 . 1 1 45 45 ASN HD22 H 1 7.078 0.001 . 2 . . . . 42 ASN HD22 . 16065 1 516 . 1 1 45 45 ASN CA C 13 51.401 0 . 1 . . . . 42 ASN CA . 16065 1 517 . 1 1 45 45 ASN CB C 13 38.684 0 . 1 . . . . 42 ASN CB . 16065 1 518 . 1 1 45 45 ASN N N 15 114.675 0 . 1 . . . . 42 ASN N . 16065 1 519 . 1 1 45 45 ASN ND2 N 15 110.744 0.015 . 1 . . . . 42 ASN ND2 . 16065 1 520 . 1 1 46 46 LYS H H 1 7.515 0.003 . 1 . . . . 43 LYS H . 16065 1 521 . 1 1 46 46 LYS HA H 1 3.741 0.001 . 1 . . . . 43 LYS HA . 16065 1 522 . 1 1 46 46 LYS HB2 H 1 1.723 0.001 . 2 . . . . 43 LYS QB . 16065 1 523 . 1 1 46 46 LYS HB3 H 1 1.723 0.001 . 2 . . . . 43 LYS QB . 16065 1 524 . 1 1 46 46 LYS HD2 H 1 1.693 0 . 2 . . . . 43 LYS HD2 . 16065 1 525 . 1 1 46 46 LYS HD3 H 1 1.647 0 . 2 . . . . 43 LYS HD3 . 16065 1 526 . 1 1 46 46 LYS HE2 H 1 2.957 0.001 . 2 . . . . 43 LYS QE . 16065 1 527 . 1 1 46 46 LYS HE3 H 1 2.957 0.001 . 2 . . . . 43 LYS QE . 16065 1 528 . 1 1 46 46 LYS HG2 H 1 1.328 0 . 2 . . . . 43 LYS HG2 . 16065 1 529 . 1 1 46 46 LYS HG3 H 1 1.082 0 . 2 . . . . 43 LYS HG3 . 16065 1 530 . 1 1 46 46 LYS CA C 13 57.354 0 . 1 . . . . 43 LYS CA . 16065 1 531 . 1 1 46 46 LYS CB C 13 32.905 0 . 1 . . . . 43 LYS CB . 16065 1 532 . 1 1 46 46 LYS CD C 13 28.786 0 . 1 . . . . 43 LYS CD . 16065 1 533 . 1 1 46 46 LYS CE C 13 41.207 0.001 . 1 . . . . 43 LYS CE . 16065 1 534 . 1 1 46 46 LYS CG C 13 24.147 0.047 . 1 . . . . 43 LYS CG . 16065 1 535 . 1 1 46 46 LYS N N 15 122.167 0 . 1 . . . . 43 LYS N . 16065 1 536 . 1 1 47 47 LEU H H 1 8.184 0.001 . 1 . . . . 44 LEU H . 16065 1 537 . 1 1 47 47 LEU HA H 1 4.297 0.001 . 1 . . . . 44 LEU HA . 16065 1 538 . 1 1 47 47 LEU HB2 H 1 1.497 0.001 . 2 . . . . 44 LEU HB2 . 16065 1 539 . 1 1 47 47 LEU HB3 H 1 0.743 0.002 . 2 . . . . 44 LEU HB3 . 16065 1 540 . 1 1 47 47 LEU HD11 H 1 0.792 0.001 . 2 . . . . 44 LEU QD1 . 16065 1 541 . 1 1 47 47 LEU HD12 H 1 0.792 0.001 . 2 . . . . 44 LEU QD1 . 16065 1 542 . 1 1 47 47 LEU HD13 H 1 0.792 0.001 . 2 . . . . 44 LEU QD1 . 16065 1 543 . 1 1 47 47 LEU HD21 H 1 0.647 0.001 . 2 . . . . 44 LEU QD2 . 16065 1 544 . 1 1 47 47 LEU HD22 H 1 0.647 0.001 . 2 . . . . 44 LEU QD2 . 16065 1 545 . 1 1 47 47 LEU HD23 H 1 0.647 0.001 . 2 . . . . 44 LEU QD2 . 16065 1 546 . 1 1 47 47 LEU HG H 1 1.325 0 . 1 . . . . 44 LEU HG . 16065 1 547 . 1 1 47 47 LEU CA C 13 53.422 0 . 1 . . . . 44 LEU CA . 16065 1 548 . 1 1 47 47 LEU CB C 13 42.208 0.005 . 1 . . . . 44 LEU CB . 16065 1 549 . 1 1 47 47 LEU CD1 C 13 24.723 0 . 2 . . . . 44 LEU CD1 . 16065 1 550 . 1 1 47 47 LEU CD2 C 13 26.258 0 . 2 . . . . 44 LEU CD2 . 16065 1 551 . 1 1 47 47 LEU CG C 13 26.691 0 . 1 . . . . 44 LEU CG . 16065 1 552 . 1 1 47 47 LEU N N 15 127.544 0 . 1 . . . . 44 LEU N . 16065 1 553 . 1 1 48 48 ARG H H 1 8.706 0.002 . 1 . . . . 45 ARG H . 16065 1 554 . 1 1 48 48 ARG HA H 1 3.918 0 . 1 . . . . 45 ARG HA . 16065 1 555 . 1 1 48 48 ARG HB2 H 1 1.777 0 . 2 . . . . 45 ARG HB2 . 16065 1 556 . 1 1 48 48 ARG HB3 H 1 1.715 0 . 2 . . . . 45 ARG HB3 . 16065 1 557 . 1 1 48 48 ARG HD2 H 1 3.206 0.001 . 2 . . . . 45 ARG QD . 16065 1 558 . 1 1 48 48 ARG HD3 H 1 3.206 0.001 . 2 . . . . 45 ARG QD . 16065 1 559 . 1 1 48 48 ARG HG2 H 1 1.695 0.001 . 2 . . . . 45 ARG HG2 . 16065 1 560 . 1 1 48 48 ARG HG3 H 1 1.534 0 . 2 . . . . 45 ARG HG3 . 16065 1 561 . 1 1 48 48 ARG CA C 13 57.765 0 . 1 . . . . 45 ARG CA . 16065 1 562 . 1 1 48 48 ARG CB C 13 29.686 0 . 1 . . . . 45 ARG CB . 16065 1 563 . 1 1 48 48 ARG CD C 13 43.212 0 . 1 . . . . 45 ARG CD . 16065 1 564 . 1 1 48 48 ARG CG C 13 27.419 0 . 1 . . . . 45 ARG CG . 16065 1 565 . 1 1 48 48 ARG N N 15 128.641 0 . 1 . . . . 45 ARG N . 16065 1 566 . 1 1 49 49 GLY H H 1 8.543 0.003 . 1 . . . . 46 GLY H . 16065 1 567 . 1 1 49 49 GLY HA2 H 1 4.129 0.001 . 2 . . . . 46 GLY HA1 . 16065 1 568 . 1 1 49 49 GLY HA3 H 1 3.662 0 . 2 . . . . 46 GLY HA2 . 16065 1 569 . 1 1 49 49 GLY CA C 13 44.981 0 . 1 . . . . 46 GLY CA . 16065 1 570 . 1 1 49 49 GLY N N 15 110.474 0 . 1 . . . . 46 GLY N . 16065 1 571 . 1 1 50 50 MET H H 1 7.404 0.002 . 1 . . . . 47 MET H . 16065 1 572 . 1 1 50 50 MET HA H 1 5.226 0.001 . 1 . . . . 47 MET HA . 16065 1 573 . 1 1 50 50 MET HB2 H 1 2 0.002 . 2 . . . . 47 MET HB2 . 16065 1 574 . 1 1 50 50 MET HB3 H 1 1.732 0.001 . 2 . . . . 47 MET HB3 . 16065 1 575 . 1 1 50 50 MET HE1 H 1 2.018 0.001 . 1 . . . . 47 MET QE . 16065 1 576 . 1 1 50 50 MET HE2 H 1 2.018 0.001 . 1 . . . . 47 MET QE . 16065 1 577 . 1 1 50 50 MET HE3 H 1 2.018 0.001 . 1 . . . . 47 MET QE . 16065 1 578 . 1 1 50 50 MET HG2 H 1 2.35 0.002 . 2 . . . . 47 MET HG2 . 16065 1 579 . 1 1 50 50 MET HG3 H 1 2.304 0.005 . 2 . . . . 47 MET HG3 . 16065 1 580 . 1 1 50 50 MET CA C 13 50.824 0 . 1 . . . . 47 MET CA . 16065 1 581 . 1 1 50 50 MET CB C 13 33.186 0 . 1 . . . . 47 MET CB . 16065 1 582 . 1 1 50 50 MET CE C 13 17.959 0 . 1 . . . . 47 MET CE . 16065 1 583 . 1 1 50 50 MET CG C 13 32.842 0.002 . 1 . . . . 47 MET CG . 16065 1 584 . 1 1 50 50 MET N N 15 118.742 0 . 1 . . . . 47 MET N . 16065 1 585 . 1 1 51 51 PRO HA H 1 4.344 0 . 1 . . . . 48 PRO HA . 16065 1 586 . 1 1 51 51 PRO HB2 H 1 2.28 0.001 . 2 . . . . 48 PRO HB2 . 16065 1 587 . 1 1 51 51 PRO HB3 H 1 1.973 0.001 . 2 . . . . 48 PRO HB3 . 16065 1 588 . 1 1 51 51 PRO HD2 H 1 3.759 0.003 . 2 . . . . 48 PRO QD . 16065 1 589 . 1 1 51 51 PRO HD3 H 1 3.759 0.003 . 2 . . . . 48 PRO QD . 16065 1 590 . 1 1 51 51 PRO HG2 H 1 2.119 0.001 . 2 . . . . 48 PRO HG2 . 16065 1 591 . 1 1 51 51 PRO HG3 H 1 2.035 0.002 . 2 . . . . 48 PRO HG3 . 16065 1 592 . 1 1 51 51 PRO CA C 13 63.591 0 . 1 . . . . 48 PRO CA . 16065 1 593 . 1 1 51 51 PRO CB C 13 31.942 0 . 1 . . . . 48 PRO CB . 16065 1 594 . 1 1 51 51 PRO CD C 13 50.708 0 . 1 . . . . 48 PRO CD . 16065 1 595 . 1 1 51 51 PRO CG C 13 27.326 0.047 . 1 . . . . 48 PRO CG . 16065 1 596 . 1 1 52 52 ASP H H 1 8.703 0 . 1 . . . . 49 ASP H . 16065 1 597 . 1 1 52 52 ASP HA H 1 4.392 0 . 1 . . . . 49 ASP HA . 16065 1 598 . 1 1 52 52 ASP HB2 H 1 3.675 0 . 2 . . . . 49 ASP HB2 . 16065 1 599 . 1 1 52 52 ASP HB3 H 1 3.187 0 . 2 . . . . 49 ASP HB3 . 16065 1 600 . 1 1 52 52 ASP CA C 13 56.244 0 . 1 . . . . 49 ASP CA . 16065 1 601 . 1 1 52 52 ASP N N 15 116.361 0 . 1 . . . . 49 ASP N . 16065 1 602 . 1 1 53 53 CYS H H 1 7.456 0.002 . 1 . . . . 50 CYS H . 16065 1 603 . 1 1 53 53 CYS HA H 1 5.799 0.001 . 1 . . . . 50 CYS HA . 16065 1 604 . 1 1 53 53 CYS HB2 H 1 2.734 0.003 . 2 . . . . 50 CYS HB2 . 16065 1 605 . 1 1 53 53 CYS HB3 H 1 2.076 0.002 . 2 . . . . 50 CYS HB3 . 16065 1 606 . 1 1 53 53 CYS CA C 13 58.147 0 . 1 . . . . 50 CYS CA . 16065 1 607 . 1 1 53 53 CYS CB C 13 30.953 0 . 1 . . . . 50 CYS CB . 16065 1 608 . 1 1 53 53 CYS N N 15 114.086 0 . 1 . . . . 50 CYS N . 16065 1 609 . 1 1 54 54 TYR H H 1 8.939 0.002 . 1 . . . . 51 TYR H . 16065 1 610 . 1 1 54 54 TYR HA H 1 4.662 0.001 . 1 . . . . 51 TYR HA . 16065 1 611 . 1 1 54 54 TYR HB2 H 1 2.465 0.002 . 2 . . . . 51 TYR HB2 . 16065 1 612 . 1 1 54 54 TYR HB3 H 1 1.454 0 . 2 . . . . 51 TYR HB3 . 16065 1 613 . 1 1 54 54 TYR HD1 H 1 6.791 0 . 3 . . . . 51 TYR QD . 16065 1 614 . 1 1 54 54 TYR HD2 H 1 6.791 0 . 3 . . . . 51 TYR QD . 16065 1 615 . 1 1 54 54 TYR HE1 H 1 6.49 0.005 . 3 . . . . 51 TYR QE . 16065 1 616 . 1 1 54 54 TYR HE2 H 1 6.49 0.005 . 3 . . . . 51 TYR QE . 16065 1 617 . 1 1 54 54 TYR CA C 13 56.444 0 . 1 . . . . 51 TYR CA . 16065 1 618 . 1 1 54 54 TYR CB C 13 43 0.043 . 1 . . . . 51 TYR CB . 16065 1 619 . 1 1 54 54 TYR CE1 C 13 116.825 0 . 3 . . . . 51 TYR CE1 . 16065 1 620 . 1 1 54 54 TYR N N 15 120.722 0 . 1 . . . . 51 TYR N . 16065 1 621 . 1 1 55 55 LYS H H 1 8.665 0.002 . 1 . . . . 52 LYS H . 16065 1 622 . 1 1 55 55 LYS HA H 1 5.456 0 . 1 . . . . 52 LYS HA . 16065 1 623 . 1 1 55 55 LYS HB2 H 1 1.581 0 . 2 . . . . 52 LYS QB . 16065 1 624 . 1 1 55 55 LYS HB3 H 1 1.581 0 . 2 . . . . 52 LYS QB . 16065 1 625 . 1 1 55 55 LYS HD2 H 1 1.528 0.004 . 2 . . . . 52 LYS HD2 . 16065 1 626 . 1 1 55 55 LYS HD3 H 1 1.472 0.003 . 2 . . . . 52 LYS HD3 . 16065 1 627 . 1 1 55 55 LYS HE2 H 1 2.788 0.001 . 2 . . . . 52 LYS HE2 . 16065 1 628 . 1 1 55 55 LYS HE3 H 1 2.738 0 . 2 . . . . 52 LYS HE3 . 16065 1 629 . 1 1 55 55 LYS HG2 H 1 1.281 0.001 . 2 . . . . 52 LYS HG2 . 16065 1 630 . 1 1 55 55 LYS HG3 H 1 1.206 0.001 . 2 . . . . 52 LYS HG3 . 16065 1 631 . 1 1 55 55 LYS CA C 13 53.968 0 . 1 . . . . 52 LYS CA . 16065 1 632 . 1 1 55 55 LYS CB C 13 36.126 0 . 1 . . . . 52 LYS CB . 16065 1 633 . 1 1 55 55 LYS CD C 13 29.299 0.021 . 1 . . . . 52 LYS CD . 16065 1 634 . 1 1 55 55 LYS CE C 13 41.175 0 . 1 . . . . 52 LYS CE . 16065 1 635 . 1 1 55 55 LYS CG C 13 24.659 0 . 1 . . . . 52 LYS CG . 16065 1 636 . 1 1 55 55 LYS N N 15 117.297 0 . 1 . . . . 52 LYS N . 16065 1 637 . 1 1 56 56 ILE H H 1 9.272 0.002 . 1 . . . . 53 ILE H . 16065 1 638 . 1 1 56 56 ILE HA H 1 4.428 0.001 . 1 . . . . 53 ILE HA . 16065 1 639 . 1 1 56 56 ILE HB H 1 1.866 0 . 1 . . . . 53 ILE HB . 16065 1 640 . 1 1 56 56 ILE HD11 H 1 0.881 0.001 . 1 . . . . 53 ILE QD1 . 16065 1 641 . 1 1 56 56 ILE HD12 H 1 0.881 0.001 . 1 . . . . 53 ILE QD1 . 16065 1 642 . 1 1 56 56 ILE HD13 H 1 0.881 0.001 . 1 . . . . 53 ILE QD1 . 16065 1 643 . 1 1 56 56 ILE HG12 H 1 1.826 0.001 . 2 . . . . 53 ILE HG12 . 16065 1 644 . 1 1 56 56 ILE HG13 H 1 1.399 0 . 2 . . . . 53 ILE HG13 . 16065 1 645 . 1 1 56 56 ILE HG21 H 1 0.926 0.001 . 1 . . . . 53 ILE QG2 . 16065 1 646 . 1 1 56 56 ILE HG22 H 1 0.926 0.001 . 1 . . . . 53 ILE QG2 . 16065 1 647 . 1 1 56 56 ILE HG23 H 1 0.926 0.001 . 1 . . . . 53 ILE QG2 . 16065 1 648 . 1 1 56 56 ILE CA C 13 60.803 0 . 1 . . . . 53 ILE CA . 16065 1 649 . 1 1 56 56 ILE CB C 13 40.849 0 . 1 . . . . 53 ILE CB . 16065 1 650 . 1 1 56 56 ILE CD1 C 13 13.839 0 . 1 . . . . 53 ILE CD1 . 16065 1 651 . 1 1 56 56 ILE CG1 C 13 27.084 0.028 . 1 . . . . 53 ILE CG1 . 16065 1 652 . 1 1 56 56 ILE CG2 C 13 17.739 0 . 1 . . . . 53 ILE CG2 . 16065 1 653 . 1 1 56 56 ILE N N 15 122.006 0 . 1 . . . . 53 ILE N . 16065 1 654 . 1 1 57 57 LYS H H 1 8.745 0.001 . 1 . . . . 54 LYS H . 16065 1 655 . 1 1 57 57 LYS HA H 1 5.093 0.002 . 1 . . . . 54 LYS HA . 16065 1 656 . 1 1 57 57 LYS HB2 H 1 1.845 0.003 . 2 . . . . 54 LYS HB2 . 16065 1 657 . 1 1 57 57 LYS HB3 H 1 1.56 0.002 . 2 . . . . 54 LYS HB3 . 16065 1 658 . 1 1 57 57 LYS HD2 H 1 1.72 0.006 . 2 . . . . 54 LYS HD2 . 16065 1 659 . 1 1 57 57 LYS HD3 H 1 1.671 0.001 . 2 . . . . 54 LYS HD3 . 16065 1 660 . 1 1 57 57 LYS HE2 H 1 2.937 0.001 . 2 . . . . 54 LYS QE . 16065 1 661 . 1 1 57 57 LYS HE3 H 1 2.937 0.001 . 2 . . . . 54 LYS QE . 16065 1 662 . 1 1 57 57 LYS HG2 H 1 1.302 0 . 2 . . . . 54 LYS HG2 . 16065 1 663 . 1 1 57 57 LYS HG3 H 1 1.262 0 . 2 . . . . 54 LYS HG3 . 16065 1 664 . 1 1 57 57 LYS CA C 13 54.227 0 . 1 . . . . 54 LYS CA . 16065 1 665 . 1 1 57 57 LYS CB C 13 35.595 0.045 . 1 . . . . 54 LYS CB . 16065 1 666 . 1 1 57 57 LYS CD C 13 29.288 0 . 1 . . . . 54 LYS CD . 16065 1 667 . 1 1 57 57 LYS CE C 13 41.581 0 . 1 . . . . 54 LYS CE . 16065 1 668 . 1 1 57 57 LYS CG C 13 24.631 0.05 . 1 . . . . 54 LYS CG . 16065 1 669 . 1 1 57 57 LYS N N 15 125.752 0 . 1 . . . . 54 LYS N . 16065 1 670 . 1 1 58 58 LEU H H 1 8.543 0.007 . 1 . . . . 55 LEU H . 16065 1 671 . 1 1 58 58 LEU HA H 1 4.788 0.001 . 1 . . . . 55 LEU HA . 16065 1 672 . 1 1 58 58 LEU HB2 H 1 1.983 0.001 . 2 . . . . 55 LEU HB2 . 16065 1 673 . 1 1 58 58 LEU HB3 H 1 1.724 0.002 . 2 . . . . 55 LEU HB3 . 16065 1 674 . 1 1 58 58 LEU HD11 H 1 0.987 0.001 . 2 . . . . 55 LEU QD1 . 16065 1 675 . 1 1 58 58 LEU HD12 H 1 0.987 0.001 . 2 . . . . 55 LEU QD1 . 16065 1 676 . 1 1 58 58 LEU HD13 H 1 0.987 0.001 . 2 . . . . 55 LEU QD1 . 16065 1 677 . 1 1 58 58 LEU HD21 H 1 0.862 0.001 . 2 . . . . 55 LEU QD2 . 16065 1 678 . 1 1 58 58 LEU HD22 H 1 0.862 0.001 . 2 . . . . 55 LEU QD2 . 16065 1 679 . 1 1 58 58 LEU HD23 H 1 0.862 0.001 . 2 . . . . 55 LEU QD2 . 16065 1 680 . 1 1 58 58 LEU HG H 1 1.62 0.001 . 1 . . . . 55 LEU HG . 16065 1 681 . 1 1 58 58 LEU CA C 13 53.151 0 . 1 . . . . 55 LEU CA . 16065 1 682 . 1 1 58 58 LEU CB C 13 41.238 0 . 1 . . . . 55 LEU CB . 16065 1 683 . 1 1 58 58 LEU CD1 C 13 26.327 0 . 2 . . . . 55 LEU CD1 . 16065 1 684 . 1 1 58 58 LEU CD2 C 13 22.934 0 . 2 . . . . 55 LEU CD2 . 16065 1 685 . 1 1 58 58 LEU CG C 13 26.5 0 . 1 . . . . 55 LEU CG . 16065 1 686 . 1 1 58 58 LEU N N 15 124.173 0 . 1 . . . . 55 LEU N . 16065 1 687 . 1 1 59 59 ARG HA H 1 4.039 0 . 1 . . . . 56 ARG HA . 16065 1 688 . 1 1 59 59 ARG HB2 H 1 2.143 0.001 . 2 . . . . 56 ARG QB . 16065 1 689 . 1 1 59 59 ARG HB3 H 1 2.143 0.001 . 2 . . . . 56 ARG QB . 16065 1 690 . 1 1 59 59 ARG HD2 H 1 3.5 0.001 . 2 . . . . 56 ARG HD2 . 16065 1 691 . 1 1 59 59 ARG HD3 H 1 3.023 0 . 2 . . . . 56 ARG HD3 . 16065 1 692 . 1 1 59 59 ARG HG2 H 1 1.968 0.004 . 2 . . . . 56 ARG HG2 . 16065 1 693 . 1 1 59 59 ARG HG3 H 1 1.71 0.009 . 2 . . . . 56 ARG HG3 . 16065 1 694 . 1 1 59 59 ARG CA C 13 59.531 0 . 1 . . . . 56 ARG CA . 16065 1 695 . 1 1 59 59 ARG CB C 13 32.18 0 . 1 . . . . 56 ARG CB . 16065 1 696 . 1 1 59 59 ARG CD C 13 43.6 0 . 1 . . . . 56 ARG CD . 16065 1 697 . 1 1 59 59 ARG CG C 13 27.7 0 . 1 . . . . 56 ARG CG . 16065 1 698 . 1 1 60 60 SER HA H 1 4.335 0 . 1 . . . . 57 SER HA . 16065 1 699 . 1 1 60 60 SER HB2 H 1 4.038 0 . 2 . . . . 57 SER QB . 16065 1 700 . 1 1 60 60 SER HB3 H 1 4.038 0 . 2 . . . . 57 SER QB . 16065 1 701 . 1 1 60 60 SER CA C 13 60.035 0 . 1 . . . . 57 SER CA . 16065 1 702 . 1 1 60 60 SER CB C 13 62.551 0 . 1 . . . . 57 SER CB . 16065 1 703 . 1 1 61 61 SER H H 1 7.605 0.003 . 1 . . . . 58 SER H . 16065 1 704 . 1 1 61 61 SER HA H 1 4.604 0.002 . 1 . . . . 58 SER HA . 16065 1 705 . 1 1 61 61 SER HB2 H 1 4.104 0.001 . 2 . . . . 58 SER HB2 . 16065 1 706 . 1 1 61 61 SER HB3 H 1 3.968 0.003 . 2 . . . . 58 SER HB3 . 16065 1 707 . 1 1 61 61 SER CA C 13 58.122 0 . 1 . . . . 58 SER CA . 16065 1 708 . 1 1 61 61 SER CB C 13 64.52 0 . 1 . . . . 58 SER CB . 16065 1 709 . 1 1 61 61 SER N N 15 112.447 0 . 1 . . . . 58 SER N . 16065 1 710 . 1 1 62 62 GLY H H 1 8.214 0.003 . 1 . . . . 59 GLY H . 16065 1 711 . 1 1 62 62 GLY HA2 H 1 4.091 0.006 . 2 . . . . 59 GLY HA1 . 16065 1 712 . 1 1 62 62 GLY HA3 H 1 3.824 0.006 . 2 . . . . 59 GLY HA2 . 16065 1 713 . 1 1 62 62 GLY CA C 13 45.562 0.016 . 1 . . . . 59 GLY CA . 16065 1 714 . 1 1 62 62 GLY N N 15 108.976 0 . 1 . . . . 59 GLY N . 16065 1 715 . 1 1 63 63 TYR H H 1 7.283 0.004 . 1 . . . . 60 TYR H . 16065 1 716 . 1 1 63 63 TYR HA H 1 4.619 0.004 . 1 . . . . 60 TYR HA . 16065 1 717 . 1 1 63 63 TYR HB2 H 1 2.712 0.002 . 2 . . . . 60 TYR HB2 . 16065 1 718 . 1 1 63 63 TYR HB3 H 1 2.681 0.003 . 2 . . . . 60 TYR HB3 . 16065 1 719 . 1 1 63 63 TYR HD1 H 1 7.052 0.005 . 3 . . . . 60 TYR QD . 16065 1 720 . 1 1 63 63 TYR HD2 H 1 7.052 0.005 . 3 . . . . 60 TYR QD . 16065 1 721 . 1 1 63 63 TYR HE1 H 1 6.853 0.003 . 3 . . . . 60 TYR QE . 16065 1 722 . 1 1 63 63 TYR HE2 H 1 6.853 0.003 . 3 . . . . 60 TYR QE . 16065 1 723 . 1 1 63 63 TYR CA C 13 60.412 0 . 1 . . . . 60 TYR CA . 16065 1 724 . 1 1 63 63 TYR CB C 13 40.339 0 . 1 . . . . 60 TYR CB . 16065 1 725 . 1 1 63 63 TYR CD1 C 13 132.752 0 . 3 . . . . 60 TYR CD1 . 16065 1 726 . 1 1 63 63 TYR CE1 C 13 118.693 0 . 3 . . . . 60 TYR CE1 . 16065 1 727 . 1 1 63 63 TYR N N 15 117.859 0 . 1 . . . . 60 TYR N . 16065 1 728 . 1 1 64 64 ARG H H 1 9.296 0.003 . 1 . . . . 61 ARG H . 16065 1 729 . 1 1 64 64 ARG HA H 1 5.634 0.002 . 1 . . . . 61 ARG HA . 16065 1 730 . 1 1 64 64 ARG HB2 H 1 1.791 0.006 . 2 . . . . 61 ARG HB2 . 16065 1 731 . 1 1 64 64 ARG HB3 H 1 1.695 0.002 . 2 . . . . 61 ARG HB3 . 16065 1 732 . 1 1 64 64 ARG HD2 H 1 3.297 0.002 . 2 . . . . 61 ARG HD2 . 16065 1 733 . 1 1 64 64 ARG HD3 H 1 2.974 0.003 . 2 . . . . 61 ARG HD3 . 16065 1 734 . 1 1 64 64 ARG HG2 H 1 1.635 0.002 . 2 . . . . 61 ARG HG2 . 16065 1 735 . 1 1 64 64 ARG HG3 H 1 1.544 0.002 . 2 . . . . 61 ARG HG3 . 16065 1 736 . 1 1 64 64 ARG CA C 13 54.114 0 . 1 . . . . 61 ARG CA . 16065 1 737 . 1 1 64 64 ARG CB C 13 33.245 0 . 1 . . . . 61 ARG CB . 16065 1 738 . 1 1 64 64 ARG CD C 13 43.988 0 . 1 . . . . 61 ARG CD . 16065 1 739 . 1 1 64 64 ARG CG C 13 26.307 0 . 1 . . . . 61 ARG CG . 16065 1 740 . 1 1 64 64 ARG N N 15 117.912 0 . 1 . . . . 61 ARG N . 16065 1 741 . 1 1 65 65 LEU H H 1 9.077 0.002 . 1 . . . . 62 LEU H . 16065 1 742 . 1 1 65 65 LEU HA H 1 5.459 0 . 1 . . . . 62 LEU HA . 16065 1 743 . 1 1 65 65 LEU HB2 H 1 1.921 0.005 . 2 . . . . 62 LEU HB2 . 16065 1 744 . 1 1 65 65 LEU HB3 H 1 1.785 0.004 . 2 . . . . 62 LEU HB3 . 16065 1 745 . 1 1 65 65 LEU HD11 H 1 1.108 0.002 . 2 . . . . 62 LEU QD1 . 16065 1 746 . 1 1 65 65 LEU HD12 H 1 1.108 0.002 . 2 . . . . 62 LEU QD1 . 16065 1 747 . 1 1 65 65 LEU HD13 H 1 1.108 0.002 . 2 . . . . 62 LEU QD1 . 16065 1 748 . 1 1 65 65 LEU HD21 H 1 1.008 0.001 . 2 . . . . 62 LEU QD2 . 16065 1 749 . 1 1 65 65 LEU HD22 H 1 1.008 0.001 . 2 . . . . 62 LEU QD2 . 16065 1 750 . 1 1 65 65 LEU HD23 H 1 1.008 0.001 . 2 . . . . 62 LEU QD2 . 16065 1 751 . 1 1 65 65 LEU HG H 1 1.991 0.007 . 1 . . . . 62 LEU HG . 16065 1 752 . 1 1 65 65 LEU CA C 13 54.114 0 . 1 . . . . 62 LEU CA . 16065 1 753 . 1 1 65 65 LEU CB C 13 46.977 0 . 1 . . . . 62 LEU CB . 16065 1 754 . 1 1 65 65 LEU CD1 C 13 27.675 0 . 2 . . . . 62 LEU CD1 . 16065 1 755 . 1 1 65 65 LEU CD2 C 13 26.55 0.002 . 2 . . . . 62 LEU CD2 . 16065 1 756 . 1 1 65 65 LEU CG C 13 26.817 0 . 1 . . . . 62 LEU CG . 16065 1 757 . 1 1 65 65 LEU N N 15 123.59 0.024 . 1 . . . . 62 LEU N . 16065 1 758 . 1 1 66 66 VAL H H 1 8.729 0.003 . 1 . . . . 63 VAL H . 16065 1 759 . 1 1 66 66 VAL HA H 1 5.206 0.001 . 1 . . . . 63 VAL HA . 16065 1 760 . 1 1 66 66 VAL HB H 1 1.741 0 . 1 . . . . 63 VAL HB . 16065 1 761 . 1 1 66 66 VAL HG11 H 1 0.85 0 . 2 . . . . 63 VAL QG1 . 16065 1 762 . 1 1 66 66 VAL HG12 H 1 0.85 0 . 2 . . . . 63 VAL QG1 . 16065 1 763 . 1 1 66 66 VAL HG13 H 1 0.85 0 . 2 . . . . 63 VAL QG1 . 16065 1 764 . 1 1 66 66 VAL HG21 H 1 0.807 0.001 . 2 . . . . 63 VAL QG2 . 16065 1 765 . 1 1 66 66 VAL HG22 H 1 0.807 0.001 . 2 . . . . 63 VAL QG2 . 16065 1 766 . 1 1 66 66 VAL HG23 H 1 0.807 0.001 . 2 . . . . 63 VAL QG2 . 16065 1 767 . 1 1 66 66 VAL CA C 13 60.112 0 . 1 . . . . 63 VAL CA . 16065 1 768 . 1 1 66 66 VAL CB C 13 34.296 0 . 1 . . . . 63 VAL CB . 16065 1 769 . 1 1 66 66 VAL CG1 C 13 22.67 0 . 2 . . . . 63 VAL CG1 . 16065 1 770 . 1 1 66 66 VAL CG2 C 13 22.004 0 . 2 . . . . 63 VAL CG2 . 16065 1 771 . 1 1 66 66 VAL N N 15 123.237 0 . 1 . . . . 63 VAL N . 16065 1 772 . 1 1 67 67 TYR H H 1 8.976 0.003 . 1 . . . . 64 TYR H . 16065 1 773 . 1 1 67 67 TYR HA H 1 5.745 0.001 . 1 . . . . 64 TYR HA . 16065 1 774 . 1 1 67 67 TYR HB2 H 1 2.674 0.001 . 2 . . . . 64 TYR HB2 . 16065 1 775 . 1 1 67 67 TYR HB3 H 1 2.357 0.001 . 2 . . . . 64 TYR HB3 . 16065 1 776 . 1 1 67 67 TYR HD1 H 1 6.585 0.004 . 3 . . . . 64 TYR QD . 16065 1 777 . 1 1 67 67 TYR HD2 H 1 6.585 0.004 . 3 . . . . 64 TYR QD . 16065 1 778 . 1 1 67 67 TYR HE1 H 1 6.326 0.007 . 3 . . . . 64 TYR QE . 16065 1 779 . 1 1 67 67 TYR HE2 H 1 6.326 0.007 . 3 . . . . 64 TYR QE . 16065 1 780 . 1 1 67 67 TYR CA C 13 53.968 0 . 1 . . . . 64 TYR CA . 16065 1 781 . 1 1 67 67 TYR CB C 13 42.534 0 . 1 . . . . 64 TYR CB . 16065 1 782 . 1 1 67 67 TYR CD1 C 13 133.231 0 . 3 . . . . 64 TYR CD1 . 16065 1 783 . 1 1 67 67 TYR CE1 C 13 116.825 0 . 3 . . . . 64 TYR CE1 . 16065 1 784 . 1 1 67 67 TYR N N 15 124.227 0 . 1 . . . . 64 TYR N . 16065 1 785 . 1 1 68 68 GLN H H 1 9.696 0.001 . 1 . . . . 65 GLN H . 16065 1 786 . 1 1 68 68 GLN HA H 1 5.64 0 . 1 . . . . 65 GLN HA . 16065 1 787 . 1 1 68 68 GLN HB2 H 1 2.458 0.001 . 2 . . . . 65 GLN HB2 . 16065 1 788 . 1 1 68 68 GLN HB3 H 1 2.369 0 . 2 . . . . 65 GLN HB3 . 16065 1 789 . 1 1 68 68 GLN HE21 H 1 7.192 0 . 2 . . . . 65 GLN HE21 . 16065 1 790 . 1 1 68 68 GLN HE22 H 1 6.377 0.002 . 2 . . . . 65 GLN HE22 . 16065 1 791 . 1 1 68 68 GLN HG2 H 1 2.129 0.002 . 2 . . . . 65 GLN HG2 . 16065 1 792 . 1 1 68 68 GLN HG3 H 1 2.106 0 . 2 . . . . 65 GLN HG3 . 16065 1 793 . 1 1 68 68 GLN CA C 13 52.933 0 . 1 . . . . 65 GLN CA . 16065 1 794 . 1 1 68 68 GLN CB C 13 33.585 0 . 1 . . . . 65 GLN CB . 16065 1 795 . 1 1 68 68 GLN CG C 13 34.147 0 . 1 . . . . 65 GLN CG . 16065 1 796 . 1 1 68 68 GLN N N 15 122.541 0 . 1 . . . . 65 GLN N . 16065 1 797 . 1 1 68 68 GLN NE2 N 15 107.947 0 . 1 . . . . 65 GLN NE2 . 16065 1 798 . 1 1 69 69 VAL H H 1 9.05 0.001 . 1 . . . . 66 VAL H . 16065 1 799 . 1 1 69 69 VAL HA H 1 4.513 0.002 . 1 . . . . 66 VAL HA . 16065 1 800 . 1 1 69 69 VAL HB H 1 2.093 0.002 . 1 . . . . 66 VAL HB . 16065 1 801 . 1 1 69 69 VAL HG11 H 1 0.957 0 . 2 . . . . 66 VAL QG1 . 16065 1 802 . 1 1 69 69 VAL HG12 H 1 0.957 0 . 2 . . . . 66 VAL QG1 . 16065 1 803 . 1 1 69 69 VAL HG13 H 1 0.957 0 . 2 . . . . 66 VAL QG1 . 16065 1 804 . 1 1 69 69 VAL HG21 H 1 0.941 0.002 . 2 . . . . 66 VAL QG2 . 16065 1 805 . 1 1 69 69 VAL HG22 H 1 0.941 0.002 . 2 . . . . 66 VAL QG2 . 16065 1 806 . 1 1 69 69 VAL HG23 H 1 0.941 0.002 . 2 . . . . 66 VAL QG2 . 16065 1 807 . 1 1 69 69 VAL CA C 13 62.534 0 . 1 . . . . 66 VAL CA . 16065 1 808 . 1 1 69 69 VAL CB C 13 33.052 0 . 1 . . . . 66 VAL CB . 16065 1 809 . 1 1 69 69 VAL CG1 C 13 24.6 0 . 2 . . . . 66 VAL CG1 . 16065 1 810 . 1 1 69 69 VAL CG2 C 13 22.352 0 . 2 . . . . 66 VAL CG2 . 16065 1 811 . 1 1 69 69 VAL N N 15 127.437 0 . 1 . . . . 66 VAL N . 16065 1 812 . 1 1 70 70 ILE H H 1 9.385 0.002 . 1 . . . . 67 ILE H . 16065 1 813 . 1 1 70 70 ILE HA H 1 4.475 0.002 . 1 . . . . 67 ILE HA . 16065 1 814 . 1 1 70 70 ILE HB H 1 2.057 0.001 . 1 . . . . 67 ILE HB . 16065 1 815 . 1 1 70 70 ILE HD11 H 1 0.865 0.002 . 1 . . . . 67 ILE QD1 . 16065 1 816 . 1 1 70 70 ILE HD12 H 1 0.865 0.002 . 1 . . . . 67 ILE QD1 . 16065 1 817 . 1 1 70 70 ILE HD13 H 1 0.865 0.002 . 1 . . . . 67 ILE QD1 . 16065 1 818 . 1 1 70 70 ILE HG12 H 1 1.544 0 . 2 . . . . 67 ILE HG12 . 16065 1 819 . 1 1 70 70 ILE HG13 H 1 0.997 0 . 2 . . . . 67 ILE HG13 . 16065 1 820 . 1 1 70 70 ILE HG21 H 1 0.956 0.001 . 1 . . . . 67 ILE QG2 . 16065 1 821 . 1 1 70 70 ILE HG22 H 1 0.956 0.001 . 1 . . . . 67 ILE QG2 . 16065 1 822 . 1 1 70 70 ILE HG23 H 1 0.956 0.001 . 1 . . . . 67 ILE QG2 . 16065 1 823 . 1 1 70 70 ILE CA C 13 59.863 0 . 1 . . . . 67 ILE CA . 16065 1 824 . 1 1 70 70 ILE CB C 13 37.487 0 . 1 . . . . 67 ILE CB . 16065 1 825 . 1 1 70 70 ILE CD1 C 13 14.117 0 . 1 . . . . 67 ILE CD1 . 16065 1 826 . 1 1 70 70 ILE CG1 C 13 26.7 0 . 1 . . . . 67 ILE CG1 . 16065 1 827 . 1 1 70 70 ILE CG2 C 13 19.405 0 . 1 . . . . 67 ILE CG2 . 16065 1 828 . 1 1 70 70 ILE N N 15 129.296 0.052 . 1 . . . . 67 ILE N . 16065 1 829 . 1 1 71 71 ASP H H 1 9.343 0.003 . 1 . . . . 68 ASP H . 16065 1 830 . 1 1 71 71 ASP HA H 1 4.595 0.005 . 1 . . . . 68 ASP HA . 16065 1 831 . 1 1 71 71 ASP HB2 H 1 2.747 0.001 . 2 . . . . 68 ASP HB2 . 16065 1 832 . 1 1 71 71 ASP HB3 H 1 2.666 0.001 . 2 . . . . 68 ASP HB3 . 16065 1 833 . 1 1 71 71 ASP CA C 13 58.841 0 . 1 . . . . 68 ASP CA . 16065 1 834 . 1 1 71 71 ASP CB C 13 40.637 0 . 1 . . . . 68 ASP CB . 16065 1 835 . 1 1 71 71 ASP N N 15 128.749 0 . 1 . . . . 68 ASP N . 16065 1 836 . 1 1 72 72 GLU H H 1 9.718 0.002 . 1 . . . . 69 GLU H . 16065 1 837 . 1 1 72 72 GLU HA H 1 4.124 0.001 . 1 . . . . 69 GLU HA . 16065 1 838 . 1 1 72 72 GLU HB2 H 1 2.127 0.001 . 2 . . . . 69 GLU HB2 . 16065 1 839 . 1 1 72 72 GLU HB3 H 1 2.019 0 . 2 . . . . 69 GLU HB3 . 16065 1 840 . 1 1 72 72 GLU HG2 H 1 2.341 0 . 2 . . . . 69 GLU QG . 16065 1 841 . 1 1 72 72 GLU HG3 H 1 2.341 0 . 2 . . . . 69 GLU QG . 16065 1 842 . 1 1 72 72 GLU CA C 13 59.335 0 . 1 . . . . 69 GLU CA . 16065 1 843 . 1 1 72 72 GLU CB C 13 29.131 0 . 1 . . . . 69 GLU CB . 16065 1 844 . 1 1 72 72 GLU CG C 13 36.326 0 . 1 . . . . 69 GLU CG . 16065 1 845 . 1 1 72 72 GLU N N 15 118.929 0 . 1 . . . . 69 GLU N . 16065 1 846 . 1 1 73 73 LYS H H 1 6.653 0.001 . 1 . . . . 70 LYS H . 16065 1 847 . 1 1 73 73 LYS HA H 1 4.517 0.001 . 1 . . . . 70 LYS HA . 16065 1 848 . 1 1 73 73 LYS HB2 H 1 2.101 0.002 . 2 . . . . 70 LYS HB2 . 16065 1 849 . 1 1 73 73 LYS HB3 H 1 1.442 0.003 . 2 . . . . 70 LYS HB3 . 16065 1 850 . 1 1 73 73 LYS HD2 H 1 1.655 0.002 . 2 . . . . 70 LYS HD2 . 16065 1 851 . 1 1 73 73 LYS HD3 H 1 1.586 0.001 . 2 . . . . 70 LYS HD3 . 16065 1 852 . 1 1 73 73 LYS HE2 H 1 2.901 0.001 . 2 . . . . 70 LYS QE . 16065 1 853 . 1 1 73 73 LYS HE3 H 1 2.901 0.001 . 2 . . . . 70 LYS QE . 16065 1 854 . 1 1 73 73 LYS HG2 H 1 1.4 0.002 . 2 . . . . 70 LYS HG2 . 16065 1 855 . 1 1 73 73 LYS HG3 H 1 1.362 0.002 . 2 . . . . 70 LYS HG3 . 16065 1 856 . 1 1 73 73 LYS CA C 13 54.587 0 . 1 . . . . 70 LYS CA . 16065 1 857 . 1 1 73 73 LYS CB C 13 33.843 0.004 . 1 . . . . 70 LYS CB . 16065 1 858 . 1 1 73 73 LYS CD C 13 28.839 0.036 . 1 . . . . 70 LYS CD . 16065 1 859 . 1 1 73 73 LYS CE C 13 41.711 0 . 1 . . . . 70 LYS CE . 16065 1 860 . 1 1 73 73 LYS CG C 13 25.248 0 . 1 . . . . 70 LYS CG . 16065 1 861 . 1 1 73 73 LYS N N 15 114.113 0 . 1 . . . . 70 LYS N . 16065 1 862 . 1 1 74 74 VAL H H 1 7.832 0.002 . 1 . . . . 71 VAL H . 16065 1 863 . 1 1 74 74 VAL HA H 1 3.012 0.002 . 1 . . . . 71 VAL HA . 16065 1 864 . 1 1 74 74 VAL HB H 1 2.351 0.001 . 1 . . . . 71 VAL HB . 16065 1 865 . 1 1 74 74 VAL HG11 H 1 0.361 0.002 . 2 . . . . 71 VAL QG1 . 16065 1 866 . 1 1 74 74 VAL HG12 H 1 0.361 0.002 . 2 . . . . 71 VAL QG1 . 16065 1 867 . 1 1 74 74 VAL HG13 H 1 0.361 0.002 . 2 . . . . 71 VAL QG1 . 16065 1 868 . 1 1 74 74 VAL HG21 H 1 0.771 0.002 . 2 . . . . 71 VAL QG2 . 16065 1 869 . 1 1 74 74 VAL HG22 H 1 0.771 0.002 . 2 . . . . 71 VAL QG2 . 16065 1 870 . 1 1 74 74 VAL HG23 H 1 0.771 0.002 . 2 . . . . 71 VAL QG2 . 16065 1 871 . 1 1 74 74 VAL CA C 13 63.09 0 . 1 . . . . 71 VAL CA . 16065 1 872 . 1 1 74 74 VAL CB C 13 29.226 0 . 1 . . . . 71 VAL CB . 16065 1 873 . 1 1 74 74 VAL CG1 C 13 23.526 0 . 2 . . . . 71 VAL CG1 . 16065 1 874 . 1 1 74 74 VAL CG2 C 13 20.954 0 . 2 . . . . 71 VAL CG2 . 16065 1 875 . 1 1 74 74 VAL N N 15 119.223 0 . 1 . . . . 71 VAL N . 16065 1 876 . 1 1 75 75 VAL H H 1 7.732 0.001 . 1 . . . . 72 VAL H . 16065 1 877 . 1 1 75 75 VAL HA H 1 4.95 0.002 . 1 . . . . 72 VAL HA . 16065 1 878 . 1 1 75 75 VAL HB H 1 1.738 0.003 . 1 . . . . 72 VAL HB . 16065 1 879 . 1 1 75 75 VAL HG11 H 1 0.97 0.001 . 2 . . . . 72 VAL QG1 . 16065 1 880 . 1 1 75 75 VAL HG12 H 1 0.97 0.001 . 2 . . . . 72 VAL QG1 . 16065 1 881 . 1 1 75 75 VAL HG13 H 1 0.97 0.001 . 2 . . . . 72 VAL QG1 . 16065 1 882 . 1 1 75 75 VAL HG21 H 1 0.942 0.003 . 2 . . . . 72 VAL QG2 . 16065 1 883 . 1 1 75 75 VAL HG22 H 1 0.942 0.003 . 2 . . . . 72 VAL QG2 . 16065 1 884 . 1 1 75 75 VAL HG23 H 1 0.942 0.003 . 2 . . . . 72 VAL QG2 . 16065 1 885 . 1 1 75 75 VAL CA C 13 60.455 0 . 1 . . . . 72 VAL CA . 16065 1 886 . 1 1 75 75 VAL CB C 13 37.925 0 . 1 . . . . 72 VAL CB . 16065 1 887 . 1 1 75 75 VAL CG1 C 13 23.481 0 . 2 . . . . 72 VAL CG1 . 16065 1 888 . 1 1 75 75 VAL CG2 C 13 22.024 0 . 2 . . . . 72 VAL CG2 . 16065 1 889 . 1 1 75 75 VAL N N 15 117.19 0 . 1 . . . . 72 VAL N . 16065 1 890 . 1 1 76 76 VAL H H 1 9.026 0.002 . 1 . . . . 73 VAL H . 16065 1 891 . 1 1 76 76 VAL HA H 1 4.349 0.003 . 1 . . . . 73 VAL HA . 16065 1 892 . 1 1 76 76 VAL HB H 1 1.841 0.003 . 1 . . . . 73 VAL HB . 16065 1 893 . 1 1 76 76 VAL HG11 H 1 0.53 0.002 . 2 . . . . 73 VAL QG1 . 16065 1 894 . 1 1 76 76 VAL HG12 H 1 0.53 0.002 . 2 . . . . 73 VAL QG1 . 16065 1 895 . 1 1 76 76 VAL HG13 H 1 0.53 0.002 . 2 . . . . 73 VAL QG1 . 16065 1 896 . 1 1 76 76 VAL HG21 H 1 0.308 0.002 . 2 . . . . 73 VAL QG2 . 16065 1 897 . 1 1 76 76 VAL HG22 H 1 0.308 0.002 . 2 . . . . 73 VAL QG2 . 16065 1 898 . 1 1 76 76 VAL HG23 H 1 0.308 0.002 . 2 . . . . 73 VAL QG2 . 16065 1 899 . 1 1 76 76 VAL CA C 13 62.527 0 . 1 . . . . 73 VAL CA . 16065 1 900 . 1 1 76 76 VAL CB C 13 32.882 0 . 1 . . . . 73 VAL CB . 16065 1 901 . 1 1 76 76 VAL CG1 C 13 22.932 0 . 2 . . . . 73 VAL CG1 . 16065 1 902 . 1 1 76 76 VAL CG2 C 13 20.405 0 . 2 . . . . 73 VAL CG2 . 16065 1 903 . 1 1 76 76 VAL N N 15 128.347 0 . 1 . . . . 73 VAL N . 16065 1 904 . 1 1 77 77 PHE H H 1 9.629 0.001 . 1 . . . . 74 PHE H . 16065 1 905 . 1 1 77 77 PHE HA H 1 5.898 0.001 . 1 . . . . 74 PHE HA . 16065 1 906 . 1 1 77 77 PHE HB2 H 1 3.442 0.001 . 2 . . . . 74 PHE HB2 . 16065 1 907 . 1 1 77 77 PHE HB3 H 1 2.997 0 . 2 . . . . 74 PHE HB3 . 16065 1 908 . 1 1 77 77 PHE HD1 H 1 7.293 0.006 . 3 . . . . 74 PHE QD . 16065 1 909 . 1 1 77 77 PHE HD2 H 1 7.293 0.006 . 3 . . . . 74 PHE QD . 16065 1 910 . 1 1 77 77 PHE HE1 H 1 7.083 0.009 . 3 . . . . 74 PHE QE . 16065 1 911 . 1 1 77 77 PHE HE2 H 1 7.083 0.009 . 3 . . . . 74 PHE QE . 16065 1 912 . 1 1 77 77 PHE HZ H 1 7.329 0.006 . 1 . . . . 74 PHE HZ . 16065 1 913 . 1 1 77 77 PHE CA C 13 51.863 0 . 1 . . . . 74 PHE CA . 16065 1 914 . 1 1 77 77 PHE CB C 13 40.214 0.139 . 1 . . . . 74 PHE CB . 16065 1 915 . 1 1 77 77 PHE CD1 C 13 130.8 0 . 3 . . . . 74 PHE CD1 . 16065 1 916 . 1 1 77 77 PHE CE1 C 13 130.66 0 . 3 . . . . 74 PHE CE1 . 16065 1 917 . 1 1 77 77 PHE CZ C 13 128.778 0 . 1 . . . . 74 PHE CZ . 16065 1 918 . 1 1 77 77 PHE N N 15 128.802 0 . 1 . . . . 74 PHE N . 16065 1 919 . 1 1 78 78 VAL H H 1 9.535 0.001 . 1 . . . . 75 VAL H . 16065 1 920 . 1 1 78 78 VAL HA H 1 3.712 0.005 . 1 . . . . 75 VAL HA . 16065 1 921 . 1 1 78 78 VAL HB H 1 0.769 0.003 . 1 . . . . 75 VAL HB . 16065 1 922 . 1 1 78 78 VAL HG11 H 1 0.457 0.002 . 2 . . . . 75 VAL QG1 . 16065 1 923 . 1 1 78 78 VAL HG12 H 1 0.457 0.002 . 2 . . . . 75 VAL QG1 . 16065 1 924 . 1 1 78 78 VAL HG13 H 1 0.457 0.002 . 2 . . . . 75 VAL QG1 . 16065 1 925 . 1 1 78 78 VAL HG21 H 1 0.258 0.002 . 2 . . . . 75 VAL QG2 . 16065 1 926 . 1 1 78 78 VAL HG22 H 1 0.258 0.002 . 2 . . . . 75 VAL QG2 . 16065 1 927 . 1 1 78 78 VAL HG23 H 1 0.258 0.002 . 2 . . . . 75 VAL QG2 . 16065 1 928 . 1 1 78 78 VAL CA C 13 63.939 0 . 1 . . . . 75 VAL CA . 16065 1 929 . 1 1 78 78 VAL CB C 13 31.079 0 . 1 . . . . 75 VAL CB . 16065 1 930 . 1 1 78 78 VAL CG1 C 13 22.392 0 . 2 . . . . 75 VAL CG1 . 16065 1 931 . 1 1 78 78 VAL CG2 C 13 21.067 0 . 2 . . . . 75 VAL CG2 . 16065 1 932 . 1 1 78 78 VAL N N 15 128.588 0 . 1 . . . . 75 VAL N . 16065 1 933 . 1 1 79 79 ILE H H 1 8.515 0.004 . 1 . . . . 76 ILE H . 16065 1 934 . 1 1 79 79 ILE HA H 1 3.443 0.002 . 1 . . . . 76 ILE HA . 16065 1 935 . 1 1 79 79 ILE HB H 1 1.083 0.001 . 1 . . . . 76 ILE HB . 16065 1 936 . 1 1 79 79 ILE HD11 H 1 0.556 0.002 . 1 . . . . 76 ILE QD1 . 16065 1 937 . 1 1 79 79 ILE HD12 H 1 0.556 0.002 . 1 . . . . 76 ILE QD1 . 16065 1 938 . 1 1 79 79 ILE HD13 H 1 0.556 0.002 . 1 . . . . 76 ILE QD1 . 16065 1 939 . 1 1 79 79 ILE HG12 H 1 1.165 0.002 . 2 . . . . 76 ILE HG12 . 16065 1 940 . 1 1 79 79 ILE HG13 H 1 0.345 0.003 . 2 . . . . 76 ILE HG13 . 16065 1 941 . 1 1 79 79 ILE HG21 H 1 0.664 0.001 . 1 . . . . 76 ILE QG2 . 16065 1 942 . 1 1 79 79 ILE HG22 H 1 0.664 0.001 . 1 . . . . 76 ILE QG2 . 16065 1 943 . 1 1 79 79 ILE HG23 H 1 0.664 0.001 . 1 . . . . 76 ILE QG2 . 16065 1 944 . 1 1 79 79 ILE CA C 13 61.95 0 . 1 . . . . 76 ILE CA . 16065 1 945 . 1 1 79 79 ILE CB C 13 40.8 0 . 1 . . . . 76 ILE CB . 16065 1 946 . 1 1 79 79 ILE CD1 C 13 14.908 0 . 1 . . . . 76 ILE CD1 . 16065 1 947 . 1 1 79 79 ILE CG1 C 13 27.939 0.054 . 1 . . . . 76 ILE CG1 . 16065 1 948 . 1 1 79 79 ILE CG2 C 13 19.799 0 . 1 . . . . 76 ILE CG2 . 16065 1 949 . 1 1 79 79 ILE N N 15 126.287 0 . 1 . . . . 76 ILE N . 16065 1 950 . 1 1 80 80 SER H H 1 7.18 0.004 . 1 . . . . 77 SER H . 16065 1 951 . 1 1 80 80 SER HA H 1 4.506 0.002 . 1 . . . . 77 SER HA . 16065 1 952 . 1 1 80 80 SER HB2 H 1 3.745 0.001 . 2 . . . . 77 SER HB2 . 16065 1 953 . 1 1 80 80 SER HB3 H 1 3.092 0.001 . 2 . . . . 77 SER HB3 . 16065 1 954 . 1 1 80 80 SER CA C 13 57.464 0 . 1 . . . . 77 SER CA . 16065 1 955 . 1 1 80 80 SER CB C 13 64.912 0.007 . 1 . . . . 77 SER CB . 16065 1 956 . 1 1 80 80 SER N N 15 111.625 0 . 1 . . . . 77 SER N . 16065 1 957 . 1 1 81 81 VAL H H 1 8.641 0.001 . 1 . . . . 78 VAL H . 16065 1 958 . 1 1 81 81 VAL HA H 1 5.066 0.003 . 1 . . . . 78 VAL HA . 16065 1 959 . 1 1 81 81 VAL HB H 1 2.366 0.002 . 1 . . . . 78 VAL HB . 16065 1 960 . 1 1 81 81 VAL HG11 H 1 1.304 0.001 . 2 . . . . 78 VAL QG1 . 16065 1 961 . 1 1 81 81 VAL HG12 H 1 1.304 0.001 . 2 . . . . 78 VAL QG1 . 16065 1 962 . 1 1 81 81 VAL HG13 H 1 1.304 0.001 . 2 . . . . 78 VAL QG1 . 16065 1 963 . 1 1 81 81 VAL HG21 H 1 1.243 0.001 . 2 . . . . 78 VAL QG2 . 16065 1 964 . 1 1 81 81 VAL HG22 H 1 1.243 0.001 . 2 . . . . 78 VAL QG2 . 16065 1 965 . 1 1 81 81 VAL HG23 H 1 1.243 0.001 . 2 . . . . 78 VAL QG2 . 16065 1 966 . 1 1 81 81 VAL CA C 13 60.913 0 . 1 . . . . 78 VAL CA . 16065 1 967 . 1 1 81 81 VAL CB C 13 35.01 0 . 1 . . . . 78 VAL CB . 16065 1 968 . 1 1 81 81 VAL CG1 C 13 22.435 0 . 2 . . . . 78 VAL CG1 . 16065 1 969 . 1 1 81 81 VAL CG2 C 13 21.601 0 . 2 . . . . 78 VAL CG2 . 16065 1 970 . 1 1 81 81 VAL N N 15 126.742 0 . 1 . . . . 78 VAL N . 16065 1 971 . 1 1 82 82 GLY H H 1 8.658 0.006 . 1 . . . . 79 GLY H . 16065 1 972 . 1 1 82 82 GLY HA2 H 1 4.37 0.003 . 2 . . . . 79 GLY HA1 . 16065 1 973 . 1 1 82 82 GLY HA3 H 1 4.16 0 . 2 . . . . 79 GLY HA2 . 16065 1 974 . 1 1 82 82 GLY CA C 13 46.036 0.033 . 1 . . . . 79 GLY CA . 16065 1 975 . 1 1 82 82 GLY N N 15 111.223 0 . 1 . . . . 79 GLY N . 16065 1 976 . 1 1 83 83 LYS H H 1 8.569 0.002 . 1 . . . . 80 LYS H . 16065 1 977 . 1 1 83 83 LYS HA H 1 4.369 0.004 . 1 . . . . 80 LYS HA . 16065 1 978 . 1 1 83 83 LYS HB2 H 1 1.215 0.001 . 2 . . . . 80 LYS QB . 16065 1 979 . 1 1 83 83 LYS HB3 H 1 1.215 0.001 . 2 . . . . 80 LYS QB . 16065 1 980 . 1 1 83 83 LYS HD2 H 1 1.27 0.002 . 2 . . . . 80 LYS HD2 . 16065 1 981 . 1 1 83 83 LYS HD3 H 1 1.221 0.001 . 2 . . . . 80 LYS HD3 . 16065 1 982 . 1 1 83 83 LYS HE2 H 1 2.816 0.002 . 2 . . . . 80 LYS QE . 16065 1 983 . 1 1 83 83 LYS HE3 H 1 2.816 0.002 . 2 . . . . 80 LYS QE . 16065 1 984 . 1 1 83 83 LYS HG2 H 1 1.011 0.001 . 2 . . . . 80 LYS HG2 . 16065 1 985 . 1 1 83 83 LYS HG3 H 1 0.715 0.001 . 2 . . . . 80 LYS HG3 . 16065 1 986 . 1 1 83 83 LYS CA C 13 54.855 0.001 . 1 . . . . 80 LYS CA . 16065 1 987 . 1 1 83 83 LYS CB C 13 34.866 0 . 1 . . . . 80 LYS CB . 16065 1 988 . 1 1 83 83 LYS CD C 13 28.809 0.021 . 1 . . . . 80 LYS CD . 16065 1 989 . 1 1 83 83 LYS CE C 13 41.752 0 . 1 . . . . 80 LYS CE . 16065 1 990 . 1 1 83 83 LYS CG C 13 23.737 0 . 1 . . . . 80 LYS CG . 16065 1 991 . 1 1 83 83 LYS N N 15 121.257 0 . 1 . . . . 80 LYS N . 16065 1 992 . 1 1 84 84 ALA H H 1 8.334 0.002 . 1 . . . . 81 ALA H . 16065 1 993 . 1 1 84 84 ALA HA H 1 4.274 0.001 . 1 . . . . 81 ALA HA . 16065 1 994 . 1 1 84 84 ALA HB1 H 1 1.329 0.002 . 1 . . . . 81 ALA QB . 16065 1 995 . 1 1 84 84 ALA HB2 H 1 1.329 0.002 . 1 . . . . 81 ALA QB . 16065 1 996 . 1 1 84 84 ALA HB3 H 1 1.329 0.002 . 1 . . . . 81 ALA QB . 16065 1 997 . 1 1 84 84 ALA CA C 13 52.003 0 . 1 . . . . 81 ALA CA . 16065 1 998 . 1 1 84 84 ALA CB C 13 19.185 0 . 1 . . . . 81 ALA CB . 16065 1 999 . 1 1 84 84 ALA N N 15 126.662 0 . 1 . . . . 81 ALA N . 16065 1 1000 . 1 1 85 85 GLU H H 1 8.638 0.004 . 1 . . . . 82 GLU H . 16065 1 1001 . 1 1 85 85 GLU HA H 1 4.214 0 . 1 . . . . 82 GLU HA . 16065 1 1002 . 1 1 85 85 GLU HB2 H 1 1.915 0 . 2 . . . . 82 GLU QB . 16065 1 1003 . 1 1 85 85 GLU HB3 H 1 1.915 0 . 2 . . . . 82 GLU QB . 16065 1 1004 . 1 1 85 85 GLU HG2 H 1 2.255 0 . 2 . . . . 82 GLU QG . 16065 1 1005 . 1 1 85 85 GLU HG3 H 1 2.255 0 . 2 . . . . 82 GLU QG . 16065 1 1006 . 1 1 85 85 GLU CA C 13 56.366 0 . 1 . . . . 82 GLU CA . 16065 1 1007 . 1 1 85 85 GLU CB C 13 30.238 0 . 1 . . . . 82 GLU CB . 16065 1 1008 . 1 1 85 85 GLU CG C 13 36 0 . 1 . . . . 82 GLU CG . 16065 1 1009 . 1 1 85 85 GLU N N 15 121.819 0 . 1 . . . . 82 GLU N . 16065 1 1010 . 1 1 86 86 ALA H H 1 8.462 0.005 . 1 . . . . 83 ALA H . 16065 1 1011 . 1 1 86 86 ALA HA H 1 4.341 0 . 1 . . . . 83 ALA HA . 16065 1 1012 . 1 1 86 86 ALA HB1 H 1 1.389 0.001 . 1 . . . . 83 ALA QB . 16065 1 1013 . 1 1 86 86 ALA HB2 H 1 1.389 0.001 . 1 . . . . 83 ALA QB . 16065 1 1014 . 1 1 86 86 ALA HB3 H 1 1.389 0.001 . 1 . . . . 83 ALA QB . 16065 1 1015 . 1 1 86 86 ALA CA C 13 52.156 0 . 1 . . . . 83 ALA CA . 16065 1 1016 . 1 1 86 86 ALA CB C 13 19.206 0 . 1 . . . . 83 ALA CB . 16065 1 1017 . 1 1 86 86 ALA N N 15 125.35 0 . 1 . . . . 83 ALA N . 16065 1 1018 . 1 1 87 87 SER H H 1 8.309 0.003 . 1 . . . . 84 SER H . 16065 1 1019 . 1 1 87 87 SER HA H 1 4.4 0 . 1 . . . . 84 SER HA . 16065 1 1020 . 1 1 87 87 SER HB2 H 1 3.88 0 . 2 . . . . 84 SER HB2 . 16065 1 1021 . 1 1 87 87 SER HB3 H 1 3.82 0 . 2 . . . . 84 SER HB3 . 16065 1 1022 . 1 1 87 87 SER CA C 13 58.058 0 . 1 . . . . 84 SER CA . 16065 1 1023 . 1 1 87 87 SER CB C 13 63.845 0 . 1 . . . . 84 SER CB . 16065 1 1024 . 1 1 87 87 SER N N 15 115.397 0 . 1 . . . . 84 SER N . 16065 1 1025 . 1 1 88 88 GLU H H 1 8.443 0.003 . 1 . . . . 85 GLU H . 16065 1 1026 . 1 1 88 88 GLU HA H 1 4.318 0.001 . 1 . . . . 85 GLU HA . 16065 1 1027 . 1 1 88 88 GLU HB2 H 1 2.008 0 . 2 . . . . 85 GLU HB2 . 16065 1 1028 . 1 1 88 88 GLU HB3 H 1 1.935 0 . 2 . . . . 85 GLU HB3 . 16065 1 1029 . 1 1 88 88 GLU HG2 H 1 2.233 0 . 2 . . . . 85 GLU QG . 16065 1 1030 . 1 1 88 88 GLU HG3 H 1 2.233 0 . 2 . . . . 85 GLU QG . 16065 1 1031 . 1 1 88 88 GLU CA C 13 56.465 0 . 1 . . . . 85 GLU CA . 16065 1 1032 . 1 1 88 88 GLU CB C 13 30.464 0 . 1 . . . . 85 GLU CB . 16065 1 1033 . 1 1 88 88 GLU CG C 13 36.586 0 . 1 . . . . 85 GLU CG . 16065 1 1034 . 1 1 88 88 GLU N N 15 122.947 0 . 1 . . . . 85 GLU N . 16065 1 1035 . 1 1 89 89 VAL H H 1 8.098 0.001 . 1 . . . . 86 VAL H . 16065 1 1036 . 1 1 89 89 VAL HA H 1 4.044 0 . 1 . . . . 86 VAL HA . 16065 1 1037 . 1 1 89 89 VAL HB H 1 1.985 0.003 . 1 . . . . 86 VAL HB . 16065 1 1038 . 1 1 89 89 VAL HG11 H 1 0.883 0.001 . 2 . . . . 86 VAL QG1 . 16065 1 1039 . 1 1 89 89 VAL HG12 H 1 0.883 0.001 . 2 . . . . 86 VAL QG1 . 16065 1 1040 . 1 1 89 89 VAL HG13 H 1 0.883 0.001 . 2 . . . . 86 VAL QG1 . 16065 1 1041 . 1 1 89 89 VAL HG21 H 1 0.842 0 . 2 . . . . 86 VAL QG2 . 16065 1 1042 . 1 1 89 89 VAL HG22 H 1 0.842 0 . 2 . . . . 86 VAL QG2 . 16065 1 1043 . 1 1 89 89 VAL HG23 H 1 0.842 0 . 2 . . . . 86 VAL QG2 . 16065 1 1044 . 1 1 89 89 VAL CA C 13 62.293 0 . 1 . . . . 86 VAL CA . 16065 1 1045 . 1 1 89 89 VAL CB C 13 32.703 0 . 1 . . . . 86 VAL CB . 16065 1 1046 . 1 1 89 89 VAL CG1 C 13 20.489 0 . 2 . . . . 86 VAL CG1 . 16065 1 1047 . 1 1 89 89 VAL CG2 C 13 21.034 0 . 2 . . . . 86 VAL CG2 . 16065 1 1048 . 1 1 89 89 VAL N N 15 120.884 0 . 1 . . . . 86 VAL N . 16065 1 1049 . 1 1 90 90 TYR H H 1 8.313 0.006 . 1 . . . . 87 TYR H . 16065 1 1050 . 1 1 90 90 TYR HA H 1 4.623 0.001 . 1 . . . . 87 TYR HA . 16065 1 1051 . 1 1 90 90 TYR HB2 H 1 3.073 0.001 . 2 . . . . 87 TYR HB2 . 16065 1 1052 . 1 1 90 90 TYR HB3 H 1 2.969 0 . 2 . . . . 87 TYR HB3 . 16065 1 1053 . 1 1 90 90 TYR HD1 H 1 7.129 0 . 3 . . . . 87 TYR QD . 16065 1 1054 . 1 1 90 90 TYR HD2 H 1 7.129 0 . 3 . . . . 87 TYR QD . 16065 1 1055 . 1 1 90 90 TYR HE1 H 1 6.822 0 . 3 . . . . 87 TYR QE . 16065 1 1056 . 1 1 90 90 TYR HE2 H 1 6.822 0 . 3 . . . . 87 TYR QE . 16065 1 1057 . 1 1 90 90 TYR CA C 13 57.791 0 . 1 . . . . 87 TYR CA . 16065 1 1058 . 1 1 90 90 TYR CB C 13 38.795 0.002 . 1 . . . . 87 TYR CB . 16065 1 1059 . 1 1 90 90 TYR CD1 C 13 133.231 0 . 3 . . . . 87 TYR CD1 . 16065 1 1060 . 1 1 90 90 TYR CE1 C 13 118.232 0 . 3 . . . . 87 TYR CE1 . 16065 1 1061 . 1 1 90 90 TYR N N 15 124.634 0 . 1 . . . . 87 TYR N . 16065 1 1062 . 1 1 91 91 SER H H 1 8.14 0.004 . 1 . . . . 88 SER H . 16065 1 1063 . 1 1 91 91 SER HA H 1 4.411 0.003 . 1 . . . . 88 SER HA . 16065 1 1064 . 1 1 91 91 SER HB2 H 1 3.872 0 . 2 . . . . 88 SER HB2 . 16065 1 1065 . 1 1 91 91 SER HB3 H 1 3.816 0 . 2 . . . . 88 SER HB3 . 16065 1 1066 . 1 1 91 91 SER CA C 13 58.396 0 . 1 . . . . 88 SER CA . 16065 1 1067 . 1 1 91 91 SER CB C 13 63.703 0 . 1 . . . . 88 SER CB . 16065 1 1068 . 1 1 91 91 SER N N 15 118.447 0 . 1 . . . . 88 SER N . 16065 1 1069 . 1 1 92 92 GLU H H 1 8.4 0.008 . 1 . . . . 89 GLU H . 16065 1 1070 . 1 1 92 92 GLU HA H 1 4.245 0 . 1 . . . . 89 GLU HA . 16065 1 1071 . 1 1 92 92 GLU HB2 H 1 2.114 0 . 2 . . . . 89 GLU HB2 . 16065 1 1072 . 1 1 92 92 GLU HB3 H 1 1.961 0 . 2 . . . . 89 GLU HB3 . 16065 1 1073 . 1 1 92 92 GLU HG2 H 1 2.317 0 . 2 . . . . 89 GLU QG . 16065 1 1074 . 1 1 92 92 GLU HG3 H 1 2.317 0 . 2 . . . . 89 GLU QG . 16065 1 1075 . 1 1 92 92 GLU CA C 13 56.465 0 . 1 . . . . 89 GLU CA . 16065 1 1076 . 1 1 92 92 GLU CB C 13 29.471 0 . 1 . . . . 89 GLU CB . 16065 1 1077 . 1 1 92 92 GLU CG C 13 36 0 . 1 . . . . 89 GLU CG . 16065 1 1078 . 1 1 92 92 GLU N N 15 122.947 0 . 1 . . . . 89 GLU N . 16065 1 1079 . 1 1 93 93 ALA H H 1 8.224 0 . 1 . . . . 90 ALA H . 16065 1 1080 . 1 1 93 93 ALA HA H 1 4.287 0.001 . 1 . . . . 90 ALA HA . 16065 1 1081 . 1 1 93 93 ALA HB1 H 1 1.395 0 . 1 . . . . 90 ALA QB . 16065 1 1082 . 1 1 93 93 ALA HB2 H 1 1.395 0 . 1 . . . . 90 ALA QB . 16065 1 1083 . 1 1 93 93 ALA HB3 H 1 1.395 0 . 1 . . . . 90 ALA QB . 16065 1 1084 . 1 1 93 93 ALA CA C 13 52.598 0 . 1 . . . . 90 ALA CA . 16065 1 1085 . 1 1 93 93 ALA CB C 13 18.864 0 . 1 . . . . 90 ALA CB . 16065 1 1086 . 1 1 93 93 ALA N N 15 124.404 0 . 1 . . . . 90 ALA N . 16065 1 1087 . 1 1 94 94 VAL H H 1 7.971 0.009 . 1 . . . . 91 VAL H . 16065 1 1088 . 1 1 94 94 VAL HA H 1 4.06 0.001 . 1 . . . . 91 VAL HA . 16065 1 1089 . 1 1 94 94 VAL HB H 1 2.069 0 . 1 . . . . 91 VAL HB . 16065 1 1090 . 1 1 94 94 VAL HG11 H 1 0.957 0 . 2 . . . . 91 VAL QG1 . 16065 1 1091 . 1 1 94 94 VAL HG12 H 1 0.957 0 . 2 . . . . 91 VAL QG1 . 16065 1 1092 . 1 1 94 94 VAL HG13 H 1 0.957 0 . 2 . . . . 91 VAL QG1 . 16065 1 1093 . 1 1 94 94 VAL HG21 H 1 0.925 0.002 . 2 . . . . 91 VAL QG2 . 16065 1 1094 . 1 1 94 94 VAL HG22 H 1 0.925 0.002 . 2 . . . . 91 VAL QG2 . 16065 1 1095 . 1 1 94 94 VAL HG23 H 1 0.925 0.002 . 2 . . . . 91 VAL QG2 . 16065 1 1096 . 1 1 94 94 VAL CA C 13 62.072 0 . 1 . . . . 91 VAL CA . 16065 1 1097 . 1 1 94 94 VAL CB C 13 32.601 0 . 1 . . . . 91 VAL CB . 16065 1 1098 . 1 1 94 94 VAL CG1 C 13 20.703 0 . 2 . . . . 91 VAL CG1 . 16065 1 1099 . 1 1 94 94 VAL CG2 C 13 21.107 0 . 2 . . . . 91 VAL CG2 . 16065 1 1100 . 1 1 94 94 VAL N N 15 119.33 0 . 1 . . . . 91 VAL N . 16065 1 1101 . 1 1 95 95 LYS H H 1 8.271 0.001 . 1 . . . . 92 LYS H . 16065 1 1102 . 1 1 95 95 LYS HA H 1 4.313 0.003 . 1 . . . . 92 LYS HA . 16065 1 1103 . 1 1 95 95 LYS HB2 H 1 1.82 0.003 . 2 . . . . 92 LYS HB2 . 16065 1 1104 . 1 1 95 95 LYS HB3 H 1 1.766 0.002 . 2 . . . . 92 LYS HB3 . 16065 1 1105 . 1 1 95 95 LYS HD2 H 1 1.674 0.003 . 2 . . . . 92 LYS QD . 16065 1 1106 . 1 1 95 95 LYS HD3 H 1 1.674 0.003 . 2 . . . . 92 LYS QD . 16065 1 1107 . 1 1 95 95 LYS HE2 H 1 2.991 0.001 . 2 . . . . 92 LYS QE . 16065 1 1108 . 1 1 95 95 LYS HE3 H 1 2.991 0.001 . 2 . . . . 92 LYS QE . 16065 1 1109 . 1 1 95 95 LYS HG2 H 1 1.479 0.002 . 2 . . . . 92 LYS HG2 . 16065 1 1110 . 1 1 95 95 LYS HG3 H 1 1.411 0.002 . 2 . . . . 92 LYS HG3 . 16065 1 1111 . 1 1 95 95 LYS CA C 13 56.078 0 . 1 . . . . 92 LYS CA . 16065 1 1112 . 1 1 95 95 LYS CB C 13 32.924 0 . 1 . . . . 92 LYS CB . 16065 1 1113 . 1 1 95 95 LYS CD C 13 28.974 0 . 1 . . . . 92 LYS CD . 16065 1 1114 . 1 1 95 95 LYS CE C 13 41.487 0 . 1 . . . . 92 LYS CE . 16065 1 1115 . 1 1 95 95 LYS CG C 13 24.745 0 . 1 . . . . 92 LYS CG . 16065 1 1116 . 1 1 95 95 LYS N N 15 124.941 0 . 1 . . . . 92 LYS N . 16065 1 1117 . 1 1 96 96 ARG H H 1 8.317 0.012 . 1 . . . . 93 ARG H . 16065 1 1118 . 1 1 96 96 ARG HA H 1 4.36 0.001 . 1 . . . . 93 ARG HA . 16065 1 1119 . 1 1 96 96 ARG HB2 H 1 1.826 0.002 . 2 . . . . 93 ARG HB2 . 16065 1 1120 . 1 1 96 96 ARG HB3 H 1 1.766 0.002 . 2 . . . . 93 ARG HB3 . 16065 1 1121 . 1 1 96 96 ARG HD2 H 1 3.211 0.001 . 2 . . . . 93 ARG QD . 16065 1 1122 . 1 1 96 96 ARG HD3 H 1 3.211 0.001 . 2 . . . . 93 ARG QD . 16065 1 1123 . 1 1 96 96 ARG HG2 H 1 1.655 0.002 . 2 . . . . 93 ARG HG2 . 16065 1 1124 . 1 1 96 96 ARG HG3 H 1 1.584 0.001 . 2 . . . . 93 ARG HG3 . 16065 1 1125 . 1 1 96 96 ARG CA C 13 55.901 0 . 1 . . . . 93 ARG CA . 16065 1 1126 . 1 1 96 96 ARG CB C 13 30.906 0 . 1 . . . . 93 ARG CB . 16065 1 1127 . 1 1 96 96 ARG CD C 13 43.257 0 . 1 . . . . 93 ARG CD . 16065 1 1128 . 1 1 96 96 ARG CG C 13 27.152 0 . 1 . . . . 93 ARG CG . 16065 1 1129 . 1 1 96 96 ARG N N 15 122.918 0 . 1 . . . . 93 ARG N . 16065 1 1130 . 1 1 97 97 ILE H H 1 8.251 0.003 . 1 . . . . 94 ILE H . 16065 1 1131 . 1 1 97 97 ILE HA H 1 4.184 0 . 1 . . . . 94 ILE HA . 16065 1 1132 . 1 1 97 97 ILE HB H 1 1.896 0.001 . 1 . . . . 94 ILE HB . 16065 1 1133 . 1 1 97 97 ILE HD11 H 1 0.874 0.002 . 1 . . . . 94 ILE QD1 . 16065 1 1134 . 1 1 97 97 ILE HD12 H 1 0.874 0.002 . 1 . . . . 94 ILE QD1 . 16065 1 1135 . 1 1 97 97 ILE HD13 H 1 0.874 0.002 . 1 . . . . 94 ILE QD1 . 16065 1 1136 . 1 1 97 97 ILE HG12 H 1 1.51 0.003 . 2 . . . . 94 ILE HG12 . 16065 1 1137 . 1 1 97 97 ILE HG13 H 1 1.195 0.002 . 2 . . . . 94 ILE HG13 . 16065 1 1138 . 1 1 97 97 ILE HG21 H 1 0.932 0.001 . 1 . . . . 94 ILE QG2 . 16065 1 1139 . 1 1 97 97 ILE HG22 H 1 0.932 0.001 . 1 . . . . 94 ILE QG2 . 16065 1 1140 . 1 1 97 97 ILE HG23 H 1 0.932 0.001 . 1 . . . . 94 ILE QG2 . 16065 1 1141 . 1 1 97 97 ILE CA C 13 60.946 0 . 1 . . . . 94 ILE CA . 16065 1 1142 . 1 1 97 97 ILE CB C 13 38.298 0 . 1 . . . . 94 ILE CB . 16065 1 1143 . 1 1 97 97 ILE CD1 C 13 12.598 0 . 1 . . . . 94 ILE CD1 . 16065 1 1144 . 1 1 97 97 ILE CG1 C 13 26.969 0.087 . 1 . . . . 94 ILE CG1 . 16065 1 1145 . 1 1 97 97 ILE CG2 C 13 17.367 0 . 1 . . . . 94 ILE CG2 . 16065 1 1146 . 1 1 97 97 ILE N N 15 123.301 0 . 1 . . . . 94 ILE N . 16065 1 1147 . 1 1 98 98 LEU H H 1 7.934 0 . 1 . . . . 95 LEU H . 16065 1 1148 . 1 1 98 98 LEU HA H 1 4.214 0 . 1 . . . . 95 LEU HA . 16065 1 1149 . 1 1 98 98 LEU HB2 H 1 1.597 0 . 2 . . . . 95 LEU QB . 16065 1 1150 . 1 1 98 98 LEU HB3 H 1 1.597 0 . 2 . . . . 95 LEU QB . 16065 1 1151 . 1 1 98 98 LEU HD11 H 1 0.918 0 . 2 . . . . 95 LEU QD1 . 16065 1 1152 . 1 1 98 98 LEU HD12 H 1 0.918 0 . 2 . . . . 95 LEU QD1 . 16065 1 1153 . 1 1 98 98 LEU HD13 H 1 0.918 0 . 2 . . . . 95 LEU QD1 . 16065 1 1154 . 1 1 98 98 LEU HD21 H 1 0.864 0 . 2 . . . . 95 LEU QD2 . 16065 1 1155 . 1 1 98 98 LEU HD22 H 1 0.864 0 . 2 . . . . 95 LEU QD2 . 16065 1 1156 . 1 1 98 98 LEU HD23 H 1 0.864 0 . 2 . . . . 95 LEU QD2 . 16065 1 1157 . 1 1 98 98 LEU HG H 1 1.597 0 . 1 . . . . 95 LEU HG . 16065 1 1158 . 1 1 98 98 LEU CA C 13 56.625 0 . 1 . . . . 95 LEU CA . 16065 1 1159 . 1 1 98 98 LEU CB C 13 43.279 0 . 1 . . . . 95 LEU CB . 16065 1 1160 . 1 1 98 98 LEU CD1 C 13 24.998 0 . 2 . . . . 95 LEU CD1 . 16065 1 1161 . 1 1 98 98 LEU CD2 C 13 23.571 0 . 2 . . . . 95 LEU CD2 . 16065 1 1162 . 1 1 98 98 LEU CG C 13 27.289 0 . 1 . . . . 95 LEU CG . 16065 1 1163 . 1 1 98 98 LEU N N 15 132.344 0 . 1 . . . . 95 LEU N . 16065 1 1164 . 2 2 2 2 SER HA H 1 4.499 0 . 1 . . . . -1 SER HA . 16065 1 1165 . 2 2 2 2 SER HB2 H 1 3.859 0 . 2 . . . . -1 SER HB2 . 16065 1 1166 . 2 2 2 2 SER HB3 H 1 3.835 0 . 2 . . . . -1 SER HB3 . 16065 1 1167 . 2 2 2 2 SER CA C 13 57.973 0 . 1 . . . . -1 SER CA . 16065 1 1168 . 2 2 2 2 SER CB C 13 63.675 0 . 1 . . . . -1 SER CB . 16065 1 1169 . 2 2 3 3 HIS HA H 1 4.713 0 . 1 . . . . 0 HIS HA . 16065 1 1170 . 2 2 3 3 HIS HB2 H 1 3.236 0 . 2 . . . . 0 HIS HB2 . 16065 1 1171 . 2 2 3 3 HIS HB3 H 1 3.145 0 . 2 . . . . 0 HIS HB3 . 16065 1 1172 . 2 2 3 3 HIS CA C 13 55.559 0 . 1 . . . . 0 HIS CA . 16065 1 1173 . 2 2 3 3 HIS CB C 13 29.618 0 . 1 . . . . 0 HIS CB . 16065 1 1174 . 2 2 4 4 LYS H H 1 8.389 0 . 1 . . . . 47 LYS H . 16065 1 1175 . 2 2 4 4 LYS HA H 1 4.29 0 . 1 . . . . 47 LYS HA . 16065 1 1176 . 2 2 4 4 LYS HB2 H 1 1.806 0 . 2 . . . . 47 LYS HB2 . 16065 1 1177 . 2 2 4 4 LYS HB3 H 1 1.74 0 . 2 . . . . 47 LYS HB3 . 16065 1 1178 . 2 2 4 4 LYS HD2 H 1 1.68 0 . 2 . . . . 47 LYS QD . 16065 1 1179 . 2 2 4 4 LYS HD3 H 1 1.68 0 . 2 . . . . 47 LYS QD . 16065 1 1180 . 2 2 4 4 LYS HE2 H 1 2.993 0 . 2 . . . . 47 LYS QE . 16065 1 1181 . 2 2 4 4 LYS HE3 H 1 2.993 0 . 2 . . . . 47 LYS QE . 16065 1 1182 . 2 2 4 4 LYS HG2 H 1 1.423 0 . 2 . . . . 47 LYS HG2 . 16065 1 1183 . 2 2 4 4 LYS HG3 H 1 1.387 0 . 2 . . . . 47 LYS HG3 . 16065 1 1184 . 2 2 4 4 LYS C C 13 176.248 0 . 1 . . . . 47 LYS C . 16065 1 1185 . 2 2 4 4 LYS CA C 13 56.386 0 . 1 . . . . 47 LYS CA . 16065 1 1186 . 2 2 4 4 LYS CB C 13 32.815 0 . 1 . . . . 47 LYS CB . 16065 1 1187 . 2 2 4 4 LYS CD C 13 28.933 0 . 1 . . . . 47 LYS CD . 16065 1 1188 . 2 2 4 4 LYS CE C 13 41.873 0 . 1 . . . . 47 LYS CE . 16065 1 1189 . 2 2 4 4 LYS CG C 13 24.683 0.007 . 1 . . . . 47 LYS CG . 16065 1 1190 . 2 2 4 4 LYS N N 15 123.119 0 . 1 . . . . 47 LYS N . 16065 1 1191 . 2 2 5 5 GLN H H 1 8.533 0.001 . 1 . . . . 48 GLN H . 16065 1 1192 . 2 2 5 5 GLN HA H 1 4.39 0 . 1 . . . . 48 GLN HA . 16065 1 1193 . 2 2 5 5 GLN HB2 H 1 2.11 0 . 2 . . . . 48 GLN HB2 . 16065 1 1194 . 2 2 5 5 GLN HB3 H 1 2.018 0 . 2 . . . . 48 GLN HB3 . 16065 1 1195 . 2 2 5 5 GLN HE21 H 1 7.589 0.002 . 2 . . . . 48 GLN HE21 . 16065 1 1196 . 2 2 5 5 GLN HE22 H 1 6.917 0.002 . 2 . . . . 48 GLN HE22 . 16065 1 1197 . 2 2 5 5 GLN HG2 H 1 2.38 0 . 2 . . . . 48 GLN QG . 16065 1 1198 . 2 2 5 5 GLN HG3 H 1 2.38 0 . 2 . . . . 48 GLN QG . 16065 1 1199 . 2 2 5 5 GLN C C 13 175.953 0 . 1 . . . . 48 GLN C . 16065 1 1200 . 2 2 5 5 GLN CA C 13 55.76 0 . 1 . . . . 48 GLN CA . 16065 1 1201 . 2 2 5 5 GLN CB C 13 29.225 0 . 1 . . . . 48 GLN CB . 16065 1 1202 . 2 2 5 5 GLN CG C 13 33.232 0 . 1 . . . . 48 GLN CG . 16065 1 1203 . 2 2 5 5 GLN N N 15 122.121 0 . 1 . . . . 48 GLN N . 16065 1 1204 . 2 2 5 5 GLN NE2 N 15 112.633 0.011 . 1 . . . . 48 GLN NE2 . 16065 1 1205 . 2 2 6 6 THR H H 1 8.281 0.001 . 1 . . . . 49 THR H . 16065 1 1206 . 2 2 6 6 THR HA H 1 4.316 0.001 . 1 . . . . 49 THR HA . 16065 1 1207 . 2 2 6 6 THR HB H 1 4.185 0 . 1 . . . . 49 THR HB . 16065 1 1208 . 2 2 6 6 THR HG21 H 1 1.193 0 . 1 . . . . 49 THR QG2 . 16065 1 1209 . 2 2 6 6 THR HG22 H 1 1.193 0 . 1 . . . . 49 THR QG2 . 16065 1 1210 . 2 2 6 6 THR HG23 H 1 1.193 0 . 1 . . . . 49 THR QG2 . 16065 1 1211 . 2 2 6 6 THR C C 13 174.156 0 . 1 . . . . 49 THR C . 16065 1 1212 . 2 2 6 6 THR CA C 13 61.724 0 . 1 . . . . 49 THR CA . 16065 1 1213 . 2 2 6 6 THR CB C 13 69.452 0 . 1 . . . . 49 THR CB . 16065 1 1214 . 2 2 6 6 THR CG2 C 13 21.424 0 . 1 . . . . 49 THR CG2 . 16065 1 1215 . 2 2 6 6 THR N N 15 116.639 0 . 1 . . . . 49 THR N . 16065 1 1216 . 2 2 7 7 LEU H H 1 8.328 0.001 . 1 . . . . 50 LEU H . 16065 1 1217 . 2 2 7 7 LEU HA H 1 4.381 0 . 1 . . . . 50 LEU HA . 16065 1 1218 . 2 2 7 7 LEU HB2 H 1 1.648 0 . 2 . . . . 50 LEU HB2 . 16065 1 1219 . 2 2 7 7 LEU HB3 H 1 1.592 0 . 2 . . . . 50 LEU HB3 . 16065 1 1220 . 2 2 7 7 LEU HD11 H 1 0.9 0 . 2 . . . . 50 LEU QD1 . 16065 1 1221 . 2 2 7 7 LEU HD12 H 1 0.9 0 . 2 . . . . 50 LEU QD1 . 16065 1 1222 . 2 2 7 7 LEU HD13 H 1 0.9 0 . 2 . . . . 50 LEU QD1 . 16065 1 1223 . 2 2 7 7 LEU HD21 H 1 0.855 0 . 2 . . . . 50 LEU QD2 . 16065 1 1224 . 2 2 7 7 LEU HD22 H 1 0.855 0 . 2 . . . . 50 LEU QD2 . 16065 1 1225 . 2 2 7 7 LEU HD23 H 1 0.855 0 . 2 . . . . 50 LEU QD2 . 16065 1 1226 . 2 2 7 7 LEU HG H 1 1.62 0 . 1 . . . . 50 LEU HG . 16065 1 1227 . 2 2 7 7 LEU C C 13 176.985 0 . 1 . . . . 50 LEU C . 16065 1 1228 . 2 2 7 7 LEU CA C 13 55.093 0 . 1 . . . . 50 LEU CA . 16065 1 1229 . 2 2 7 7 LEU CB C 13 42.122 0 . 1 . . . . 50 LEU CB . 16065 1 1230 . 2 2 7 7 LEU CD1 C 13 24.886 0 . 2 . . . . 50 LEU CD1 . 16065 1 1231 . 2 2 7 7 LEU CD2 C 13 23.48 0 . 2 . . . . 50 LEU CD2 . 16065 1 1232 . 2 2 7 7 LEU CG C 13 26.976 0 . 1 . . . . 50 LEU CG . 16065 1 1233 . 2 2 7 7 LEU N N 15 125.001 0 . 1 . . . . 50 LEU N . 16065 1 1234 . 2 2 8 8 LEU H H 1 8.264 0.001 . 1 . . . . 51 LEU H . 16065 1 1235 . 2 2 8 8 LEU HA H 1 4.41 0 . 1 . . . . 51 LEU HA . 16065 1 1236 . 2 2 8 8 LEU HB2 H 1 1.641 0 . 2 . . . . 51 LEU HB2 . 16065 1 1237 . 2 2 8 8 LEU HB3 H 1 1.59 0 . 2 . . . . 51 LEU HB3 . 16065 1 1238 . 2 2 8 8 LEU HD11 H 1 0.902 0 . 2 . . . . 51 LEU QD1 . 16065 1 1239 . 2 2 8 8 LEU HD12 H 1 0.902 0 . 2 . . . . 51 LEU QD1 . 16065 1 1240 . 2 2 8 8 LEU HD13 H 1 0.902 0 . 2 . . . . 51 LEU QD1 . 16065 1 1241 . 2 2 8 8 LEU HD21 H 1 0.857 0 . 2 . . . . 51 LEU QD2 . 16065 1 1242 . 2 2 8 8 LEU HD22 H 1 0.857 0 . 2 . . . . 51 LEU QD2 . 16065 1 1243 . 2 2 8 8 LEU HD23 H 1 0.857 0 . 2 . . . . 51 LEU QD2 . 16065 1 1244 . 2 2 8 8 LEU HG H 1 1.631 0 . 1 . . . . 51 LEU HG . 16065 1 1245 . 2 2 8 8 LEU C C 13 177.235 0 . 1 . . . . 51 LEU C . 16065 1 1246 . 2 2 8 8 LEU CA C 13 54.936 0 . 1 . . . . 51 LEU CA . 16065 1 1247 . 2 2 8 8 LEU CB C 13 42.292 0 . 1 . . . . 51 LEU CB . 16065 1 1248 . 2 2 8 8 LEU CD1 C 13 25.054 0 . 2 . . . . 51 LEU CD1 . 16065 1 1249 . 2 2 8 8 LEU CD2 C 13 23.602 0 . 2 . . . . 51 LEU CD2 . 16065 1 1250 . 2 2 8 8 LEU CG C 13 26.958 0 . 1 . . . . 51 LEU CG . 16065 1 1251 . 2 2 8 8 LEU N N 15 123.073 0 . 1 . . . . 51 LEU N . 16065 1 1252 . 2 2 9 9 SER H H 1 8.499 0.001 . 1 . . . . 52 SER H . 16065 1 1253 . 2 2 9 9 SER HA H 1 4.41 0 . 1 . . . . 52 SER HA . 16065 1 1254 . 2 2 9 9 SER HB2 H 1 3.975 0 . 2 . . . . 52 SER HB2 . 16065 1 1255 . 2 2 9 9 SER HB3 H 1 3.88 0 . 2 . . . . 52 SER HB3 . 16065 1 1256 . 2 2 9 9 SER C C 13 174.083 0 . 1 . . . . 52 SER C . 16065 1 1257 . 2 2 9 9 SER CA C 13 57.757 0 . 1 . . . . 52 SER CA . 16065 1 1258 . 2 2 9 9 SER CB C 13 63.734 0.074 . 1 . . . . 52 SER CB . 16065 1 1259 . 2 2 9 9 SER N N 15 117.15 0 . 1 . . . . 52 SER N . 16065 1 1260 . 2 2 10 10 ASP H H 1 8.416 0.001 . 1 . . . . 53 ASP H . 16065 1 1261 . 2 2 10 10 ASP HA H 1 4.575 0 . 1 . . . . 53 ASP HA . 16065 1 1262 . 2 2 10 10 ASP HB2 H 1 2.746 0 . 2 . . . . 53 ASP HB2 . 16065 1 1263 . 2 2 10 10 ASP HB3 H 1 2.675 0 . 2 . . . . 53 ASP HB3 . 16065 1 1264 . 2 2 10 10 ASP C C 13 176.911 0 . 1 . . . . 53 ASP C . 16065 1 1265 . 2 2 10 10 ASP CA C 13 54.678 0 . 1 . . . . 53 ASP CA . 16065 1 1266 . 2 2 10 10 ASP CB C 13 40.771 0 . 1 . . . . 53 ASP CB . 16065 1 1267 . 2 2 10 10 ASP N N 15 122.632 0 . 1 . . . . 53 ASP N . 16065 1 1268 . 2 2 11 11 GLU H H 1 8.486 0.001 . 1 . . . . 54 GLU H . 16065 1 1269 . 2 2 11 11 GLU HA H 1 4.155 0 . 1 . . . . 54 GLU HA . 16065 1 1270 . 2 2 11 11 GLU HB2 H 1 2.0265 0 . 2 . . . . 54 GLU HB2 . 16065 1 1271 . 2 2 11 11 GLU HB3 H 1 1.97 0 . 2 . . . . 54 GLU HB3 . 16065 1 1272 . 2 2 11 11 GLU HG2 H 1 2.181 0 . 2 . . . . 54 GLU HG2 . 16065 1 1273 . 2 2 11 11 GLU HG3 H 1 2.167 0 . 2 . . . . 54 GLU HG3 . 16065 1 1274 . 2 2 11 11 GLU C C 13 177.22 0 . 1 . . . . 54 GLU C . 16065 1 1275 . 2 2 11 11 GLU CA C 13 58.488 0 . 1 . . . . 54 GLU CA . 16065 1 1276 . 2 2 11 11 GLU CB C 13 29.615 0 . 1 . . . . 54 GLU CB . 16065 1 1277 . 2 2 11 11 GLU CG C 13 36.192 0 . 1 . . . . 54 GLU CG . 16065 1 1278 . 2 2 11 11 GLU N N 15 121.842 0 . 1 . . . . 54 GLU N . 16065 1 1279 . 2 2 12 12 ASP H H 1 8.301 0.001 . 1 . . . . 55 ASP H . 16065 1 1280 . 2 2 12 12 ASP HA H 1 4.47 0 . 1 . . . . 55 ASP HA . 16065 1 1281 . 2 2 12 12 ASP HB2 H 1 2.718 0 . 2 . . . . 55 ASP HB2 . 16065 1 1282 . 2 2 12 12 ASP HB3 H 1 2.69 0.002 . 2 . . . . 55 ASP HB3 . 16065 1 1283 . 2 2 12 12 ASP C C 13 177.161 0 . 1 . . . . 55 ASP C . 16065 1 1284 . 2 2 12 12 ASP CA C 13 55.901 0 . 1 . . . . 55 ASP CA . 16065 1 1285 . 2 2 12 12 ASP CB C 13 40.503 0 . 1 . . . . 55 ASP CB . 16065 1 1286 . 2 2 12 12 ASP N N 15 120.309 0 . 1 . . . . 55 ASP N . 16065 1 1287 . 2 2 13 13 ALA H H 1 8.114 0.002 . 1 . . . . 56 ALA H . 16065 1 1288 . 2 2 13 13 ALA HA H 1 3.986 0 . 1 . . . . 56 ALA HA . 16065 1 1289 . 2 2 13 13 ALA HB1 H 1 1.48 0 . 1 . . . . 56 ALA QB . 16065 1 1290 . 2 2 13 13 ALA HB2 H 1 1.48 0 . 1 . . . . 56 ALA QB . 16065 1 1291 . 2 2 13 13 ALA HB3 H 1 1.48 0 . 1 . . . . 56 ALA QB . 16065 1 1292 . 2 2 13 13 ALA C C 13 180.446 0 . 1 . . . . 56 ALA C . 16065 1 1293 . 2 2 13 13 ALA CA C 13 55.422 0.035 . 1 . . . . 56 ALA CA . 16065 1 1294 . 2 2 13 13 ALA CB C 13 18.001 0 . 1 . . . . 56 ALA CB . 16065 1 1295 . 2 2 13 13 ALA N N 15 122.864 0 . 1 . . . . 56 ALA N . 16065 1 1296 . 2 2 14 14 GLU H H 1 8.105 0.001 . 1 . . . . 57 GLU H . 16065 1 1297 . 2 2 14 14 GLU HA H 1 4.01 0 . 1 . . . . 57 GLU HA . 16065 1 1298 . 2 2 14 14 GLU HB2 H 1 2.147 0 . 2 . . . . 57 GLU QB . 16065 1 1299 . 2 2 14 14 GLU HB3 H 1 2.147 0 . 2 . . . . 57 GLU QB . 16065 1 1300 . 2 2 14 14 GLU HG2 H 1 2.418 0 . 2 . . . . 57 GLU HG2 . 16065 1 1301 . 2 2 14 14 GLU HG3 H 1 2.373 0 . 2 . . . . 57 GLU HG3 . 16065 1 1302 . 2 2 14 14 GLU C C 13 178.914 0 . 1 . . . . 57 GLU C . 16065 1 1303 . 2 2 14 14 GLU CA C 13 59.175 0 . 1 . . . . 57 GLU CA . 16065 1 1304 . 2 2 14 14 GLU CB C 13 28.904 0 . 1 . . . . 57 GLU CB . 16065 1 1305 . 2 2 14 14 GLU CG C 13 36.138 0 . 1 . . . . 57 GLU CG . 16065 1 1306 . 2 2 14 14 GLU N N 15 117.931 0.035 . 1 . . . . 57 GLU N . 16065 1 1307 . 2 2 15 15 LEU H H 1 7.813 0.001 . 1 . . . . 58 LEU H . 16065 1 1308 . 2 2 15 15 LEU HA H 1 4.062 0 . 1 . . . . 58 LEU HA . 16065 1 1309 . 2 2 15 15 LEU HB2 H 1 1.83 0 . 2 . . . . 58 LEU HB2 . 16065 1 1310 . 2 2 15 15 LEU HB3 H 1 1.476 0 . 2 . . . . 58 LEU HB3 . 16065 1 1311 . 2 2 15 15 LEU HD11 H 1 0.735 0 . 2 . . . . 58 LEU QD1 . 16065 1 1312 . 2 2 15 15 LEU HD12 H 1 0.735 0 . 2 . . . . 58 LEU QD1 . 16065 1 1313 . 2 2 15 15 LEU HD13 H 1 0.735 0 . 2 . . . . 58 LEU QD1 . 16065 1 1314 . 2 2 15 15 LEU HD21 H 1 0.685 0 . 2 . . . . 58 LEU QD2 . 16065 1 1315 . 2 2 15 15 LEU HD22 H 1 0.685 0 . 2 . . . . 58 LEU QD2 . 16065 1 1316 . 2 2 15 15 LEU HD23 H 1 0.685 0 . 2 . . . . 58 LEU QD2 . 16065 1 1317 . 2 2 15 15 LEU HG H 1 1.653 0.002 . 1 . . . . 58 LEU HG . 16065 1 1318 . 2 2 15 15 LEU C C 13 178.634 0 . 1 . . . . 58 LEU C . 16065 1 1319 . 2 2 15 15 LEU CA C 13 56.96 0.047 . 1 . . . . 58 LEU CA . 16065 1 1320 . 2 2 15 15 LEU CB C 13 41.973 0.062 . 1 . . . . 58 LEU CB . 16065 1 1321 . 2 2 15 15 LEU CD1 C 13 24.279 0 . 2 . . . . 58 LEU CD1 . 16065 1 1322 . 2 2 15 15 LEU CD2 C 13 23.379 0 . 2 . . . . 58 LEU CD2 . 16065 1 1323 . 2 2 15 15 LEU CG C 13 26.424 0.05 . 1 . . . . 58 LEU CG . 16065 1 1324 . 2 2 15 15 LEU N N 15 119.867 0 . 1 . . . . 58 LEU N . 16065 1 1325 . 2 2 16 16 VAL H H 1 8.491 0.001 . 1 . . . . 59 VAL H . 16065 1 1326 . 2 2 16 16 VAL HA H 1 3.365 0 . 1 . . . . 59 VAL HA . 16065 1 1327 . 2 2 16 16 VAL HB H 1 2.172 0.002 . 1 . . . . 59 VAL HB . 16065 1 1328 . 2 2 16 16 VAL HG11 H 1 1.025 0 . 2 . . . . 59 VAL QG1 . 16065 1 1329 . 2 2 16 16 VAL HG12 H 1 1.025 0 . 2 . . . . 59 VAL QG1 . 16065 1 1330 . 2 2 16 16 VAL HG13 H 1 1.025 0 . 2 . . . . 59 VAL QG1 . 16065 1 1331 . 2 2 16 16 VAL HG21 H 1 0.94 0.001 . 2 . . . . 59 VAL QG2 . 16065 1 1332 . 2 2 16 16 VAL HG22 H 1 0.94 0.001 . 2 . . . . 59 VAL QG2 . 16065 1 1333 . 2 2 16 16 VAL HG23 H 1 0.94 0.001 . 2 . . . . 59 VAL QG2 . 16065 1 1334 . 2 2 16 16 VAL C C 13 177.147 0 . 1 . . . . 59 VAL C . 16065 1 1335 . 2 2 16 16 VAL CA C 13 67.142 0 . 1 . . . . 59 VAL CA . 16065 1 1336 . 2 2 16 16 VAL CB C 13 31.176 0.021 . 1 . . . . 59 VAL CB . 16065 1 1337 . 2 2 16 16 VAL CG1 C 13 23.96 0 . 2 . . . . 59 VAL CG1 . 16065 1 1338 . 2 2 16 16 VAL CG2 C 13 21.375 0 . 2 . . . . 59 VAL CG2 . 16065 1 1339 . 2 2 16 16 VAL N N 15 118.357 0 . 1 . . . . 59 VAL N . 16065 1 1340 . 2 2 17 17 GLU H H 1 7.411 0.001 . 1 . . . . 60 GLU H . 16065 1 1341 . 2 2 17 17 GLU HA H 1 4.015 0 . 1 . . . . 60 GLU HA . 16065 1 1342 . 2 2 17 17 GLU HB2 H 1 2.145 0 . 2 . . . . 60 GLU HB2 . 16065 1 1343 . 2 2 17 17 GLU HB3 H 1 2.136 0 . 2 . . . . 60 GLU HB3 . 16065 1 1344 . 2 2 17 17 GLU HG2 H 1 2.42 0 . 2 . . . . 60 GLU HG2 . 16065 1 1345 . 2 2 17 17 GLU HG3 H 1 2.373 0 . 2 . . . . 60 GLU HG3 . 16065 1 1346 . 2 2 17 17 GLU C C 13 179.636 0 . 1 . . . . 60 GLU C . 16065 1 1347 . 2 2 17 17 GLU CA C 13 59.203 0 . 1 . . . . 60 GLU CA . 16065 1 1348 . 2 2 17 17 GLU CB C 13 28.97 0 . 1 . . . . 60 GLU CB . 16065 1 1349 . 2 2 17 17 GLU CG C 13 35.724 0 . 1 . . . . 60 GLU CG . 16065 1 1350 . 2 2 17 17 GLU N N 15 117.103 0 . 1 . . . . 60 GLU N . 16065 1 1351 . 2 2 18 18 ILE H H 1 7.574 0.001 . 1 . . . . 61 ILE H . 16065 1 1352 . 2 2 18 18 ILE HA H 1 3.83 0 . 1 . . . . 61 ILE HA . 16065 1 1353 . 2 2 18 18 ILE HB H 1 1.967 0.001 . 1 . . . . 61 ILE HB . 16065 1 1354 . 2 2 18 18 ILE HD11 H 1 0.848 0 . 1 . . . . 61 ILE QD1 . 16065 1 1355 . 2 2 18 18 ILE HD12 H 1 0.848 0 . 1 . . . . 61 ILE QD1 . 16065 1 1356 . 2 2 18 18 ILE HD13 H 1 0.848 0 . 1 . . . . 61 ILE QD1 . 16065 1 1357 . 2 2 18 18 ILE HG12 H 1 1.767 0.002 . 2 . . . . 61 ILE HG12 . 16065 1 1358 . 2 2 18 18 ILE HG13 H 1 1.14 0 . 2 . . . . 61 ILE HG13 . 16065 1 1359 . 2 2 18 18 ILE HG21 H 1 0.855 0 . 1 . . . . 61 ILE QG2 . 16065 1 1360 . 2 2 18 18 ILE HG22 H 1 0.855 0 . 1 . . . . 61 ILE QG2 . 16065 1 1361 . 2 2 18 18 ILE HG23 H 1 0.855 0 . 1 . . . . 61 ILE QG2 . 16065 1 1362 . 2 2 18 18 ILE C C 13 178.001 0 . 1 . . . . 61 ILE C . 16065 1 1363 . 2 2 18 18 ILE CA C 13 63.982 0 . 1 . . . . 61 ILE CA . 16065 1 1364 . 2 2 18 18 ILE CB C 13 38.483 0 . 1 . . . . 61 ILE CB . 16065 1 1365 . 2 2 18 18 ILE CD1 C 13 13.549 0 . 1 . . . . 61 ILE CD1 . 16065 1 1366 . 2 2 18 18 ILE CG1 C 13 28.755 0 . 1 . . . . 61 ILE CG1 . 16065 1 1367 . 2 2 18 18 ILE CG2 C 13 16.098 0 . 1 . . . . 61 ILE CG2 . 16065 1 1368 . 2 2 18 18 ILE N N 15 120.727 0 . 1 . . . . 61 ILE N . 16065 1 1369 . 2 2 19 19 VAL H H 1 8.294 0.001 . 1 . . . . 62 VAL H . 16065 1 1370 . 2 2 19 19 VAL HA H 1 3.36 0 . 1 . . . . 62 VAL HA . 16065 1 1371 . 2 2 19 19 VAL HB H 1 2.124 0.003 . 1 . . . . 62 VAL HB . 16065 1 1372 . 2 2 19 19 VAL HG11 H 1 0.875 0 . 2 . . . . 62 VAL QG1 . 16065 1 1373 . 2 2 19 19 VAL HG12 H 1 0.875 0 . 2 . . . . 62 VAL QG1 . 16065 1 1374 . 2 2 19 19 VAL HG13 H 1 0.875 0 . 2 . . . . 62 VAL QG1 . 16065 1 1375 . 2 2 19 19 VAL HG21 H 1 0.86 0 . 2 . . . . 62 VAL QG2 . 16065 1 1376 . 2 2 19 19 VAL HG22 H 1 0.86 0 . 2 . . . . 62 VAL QG2 . 16065 1 1377 . 2 2 19 19 VAL HG23 H 1 0.86 0 . 2 . . . . 62 VAL QG2 . 16065 1 1378 . 2 2 19 19 VAL C C 13 177.338 0 . 1 . . . . 62 VAL C . 16065 1 1379 . 2 2 19 19 VAL CA C 13 66.364 0.064 . 1 . . . . 62 VAL CA . 16065 1 1380 . 2 2 19 19 VAL CB C 13 31.203 0.044 . 1 . . . . 62 VAL CB . 16065 1 1381 . 2 2 19 19 VAL CG1 C 13 23.224 0 . 2 . . . . 62 VAL CG1 . 16065 1 1382 . 2 2 19 19 VAL CG2 C 13 22.469 0 . 2 . . . . 62 VAL CG2 . 16065 1 1383 . 2 2 19 19 VAL N N 15 119.635 0 . 1 . . . . 62 VAL N . 16065 1 1384 . 2 2 20 20 LYS H H 1 8.78 0.001 . 1 . . . . 63 LYS H . 16065 1 1385 . 2 2 20 20 LYS HA H 1 3.784 0.001 . 1 . . . . 63 LYS HA . 16065 1 1386 . 2 2 20 20 LYS HB2 H 1 1.886 0 . 2 . . . . 63 LYS HB2 . 16065 1 1387 . 2 2 20 20 LYS HB3 H 1 1.782 0 . 2 . . . . 63 LYS HB3 . 16065 1 1388 . 2 2 20 20 LYS HD2 H 1 1.652 0.003 . 2 . . . . 63 LYS QD . 16065 1 1389 . 2 2 20 20 LYS HD3 H 1 1.652 0.003 . 2 . . . . 63 LYS QD . 16065 1 1390 . 2 2 20 20 LYS HE2 H 1 2.913 0 . 2 . . . . 63 LYS HE2 . 16065 1 1391 . 2 2 20 20 LYS HE3 H 1 2.867 0 . 2 . . . . 63 LYS HE3 . 16065 1 1392 . 2 2 20 20 LYS HG2 H 1 1.715 0 . 2 . . . . 63 LYS HG2 . 16065 1 1393 . 2 2 20 20 LYS HG3 H 1 1.376 0.004 . 2 . . . . 63 LYS HG3 . 16065 1 1394 . 2 2 20 20 LYS C C 13 179.209 0 . 1 . . . . 63 LYS C . 16065 1 1395 . 2 2 20 20 LYS CA C 13 60.096 0 . 1 . . . . 63 LYS CA . 16065 1 1396 . 2 2 20 20 LYS CB C 13 32.673 0 . 1 . . . . 63 LYS CB . 16065 1 1397 . 2 2 20 20 LYS CD C 13 29.623 0 . 1 . . . . 63 LYS CD . 16065 1 1398 . 2 2 20 20 LYS CE C 13 41.457 0 . 1 . . . . 63 LYS CE . 16065 1 1399 . 2 2 20 20 LYS CG C 13 26.014 0 . 1 . . . . 63 LYS CG . 16065 1 1400 . 2 2 20 20 LYS N N 15 118.009 0 . 1 . . . . 63 LYS N . 16065 1 1401 . 2 2 21 21 GLU H H 1 7.567 0.001 . 1 . . . . 64 GLU H . 16065 1 1402 . 2 2 21 21 GLU HA H 1 4.084 0 . 1 . . . . 64 GLU HA . 16065 1 1403 . 2 2 21 21 GLU HB2 H 1 2.191 0 . 2 . . . . 64 GLU QB . 16065 1 1404 . 2 2 21 21 GLU HB3 H 1 2.191 0 . 2 . . . . 64 GLU QB . 16065 1 1405 . 2 2 21 21 GLU HG2 H 1 2.312 0.002 . 2 . . . . 64 GLU HG2 . 16065 1 1406 . 2 2 21 21 GLU HG3 H 1 2.3 0 . 2 . . . . 64 GLU HG3 . 16065 1 1407 . 2 2 21 21 GLU C C 13 179.592 0 . 1 . . . . 64 GLU C . 16065 1 1408 . 2 2 21 21 GLU CA C 13 58.728 0 . 1 . . . . 64 GLU CA . 16065 1 1409 . 2 2 21 21 GLU CB C 13 28.974 0 . 1 . . . . 64 GLU CB . 16065 1 1410 . 2 2 21 21 GLU CG C 13 35.608 0.005 . 1 . . . . 64 GLU CG . 16065 1 1411 . 2 2 21 21 GLU N N 15 117.452 0 . 1 . . . . 64 GLU N . 16065 1 1412 . 2 2 22 22 ARG H H 1 8.156 0.001 . 1 . . . . 65 ARG H . 16065 1 1413 . 2 2 22 22 ARG HA H 1 4.0535 0 . 1 . . . . 65 ARG HA . 16065 1 1414 . 2 2 22 22 ARG HB2 H 1 1.735 0 . 2 . . . . 65 ARG HB2 . 16065 1 1415 . 2 2 22 22 ARG HB3 H 1 1.691 0 . 2 . . . . 65 ARG HB3 . 16065 1 1416 . 2 2 22 22 ARG HD2 H 1 3.069 0 . 2 . . . . 65 ARG HD2 . 16065 1 1417 . 2 2 22 22 ARG HD3 H 1 2.892 0.001 . 2 . . . . 65 ARG HD3 . 16065 1 1418 . 2 2 22 22 ARG HG2 H 1 2.2005 0 . 2 . . . . 65 ARG HG2 . 16065 1 1419 . 2 2 22 22 ARG HG3 H 1 1.3805 0 . 2 . . . . 65 ARG HG3 . 16065 1 1420 . 2 2 22 22 ARG C C 13 177.986 0 . 1 . . . . 65 ARG C . 16065 1 1421 . 2 2 22 22 ARG CA C 13 61.243 0 . 1 . . . . 65 ARG CA . 16065 1 1422 . 2 2 22 22 ARG CB C 13 29.98 0 . 1 . . . . 65 ARG CB . 16065 1 1423 . 2 2 22 22 ARG CD C 13 43.917 0 . 1 . . . . 65 ARG CD . 16065 1 1424 . 2 2 22 22 ARG CG C 13 29.107 0 . 1 . . . . 65 ARG CG . 16065 1 1425 . 2 2 22 22 ARG N N 15 119.635 0 . 1 . . . . 65 ARG N . 16065 1 1426 . 2 2 23 23 LEU H H 1 8.436 0.001 . 1 . . . . 66 LEU H . 16065 1 1427 . 2 2 23 23 LEU HA H 1 4.106 0.001 . 1 . . . . 66 LEU HA . 16065 1 1428 . 2 2 23 23 LEU HB2 H 1 1.86 0 . 2 . . . . 66 LEU HB2 . 16065 1 1429 . 2 2 23 23 LEU HB3 H 1 1.482 0 . 2 . . . . 66 LEU HB3 . 16065 1 1430 . 2 2 23 23 LEU HD11 H 1 0.714 0 . 2 . . . . 66 LEU QD1 . 16065 1 1431 . 2 2 23 23 LEU HD12 H 1 0.714 0 . 2 . . . . 66 LEU QD1 . 16065 1 1432 . 2 2 23 23 LEU HD13 H 1 0.714 0 . 2 . . . . 66 LEU QD1 . 16065 1 1433 . 2 2 23 23 LEU HD21 H 1 0.894 0 . 2 . . . . 66 LEU QD2 . 16065 1 1434 . 2 2 23 23 LEU HD22 H 1 0.894 0 . 2 . . . . 66 LEU QD2 . 16065 1 1435 . 2 2 23 23 LEU HD23 H 1 0.894 0 . 2 . . . . 66 LEU QD2 . 16065 1 1436 . 2 2 23 23 LEU HG H 1 1.77 0 . 1 . . . . 66 LEU HG . 16065 1 1437 . 2 2 23 23 LEU C C 13 178.62 0 . 1 . . . . 66 LEU C . 16065 1 1438 . 2 2 23 23 LEU CA C 13 56.667 0 . 1 . . . . 66 LEU CA . 16065 1 1439 . 2 2 23 23 LEU CB C 13 41.465 0 . 1 . . . . 66 LEU CB . 16065 1 1440 . 2 2 23 23 LEU CD1 C 13 26.095 0 . 2 . . . . 66 LEU CD1 . 16065 1 1441 . 2 2 23 23 LEU CD2 C 13 22.731 0 . 2 . . . . 66 LEU CD2 . 16065 1 1442 . 2 2 23 23 LEU CG C 13 26.499 0 . 1 . . . . 66 LEU CG . 16065 1 1443 . 2 2 23 23 LEU N N 15 115.686 0 . 1 . . . . 66 LEU N . 16065 1 1444 . 2 2 24 24 ARG H H 1 7.404 0.001 . 1 . . . . 67 ARG H . 16065 1 1445 . 2 2 24 24 ARG HA H 1 4.1645 0 . 1 . . . . 67 ARG HA . 16065 1 1446 . 2 2 24 24 ARG HB2 H 1 1.974 0 . 2 . . . . 67 ARG HB2 . 16065 1 1447 . 2 2 24 24 ARG HB3 H 1 1.9445 0 . 2 . . . . 67 ARG HB3 . 16065 1 1448 . 2 2 24 24 ARG HD2 H 1 3.2885 0 . 2 . . . . 67 ARG QD . 16065 1 1449 . 2 2 24 24 ARG HD3 H 1 3.2885 0 . 2 . . . . 67 ARG QD . 16065 1 1450 . 2 2 24 24 ARG HG2 H 1 2.035 0 . 2 . . . . 67 ARG HG2 . 16065 1 1451 . 2 2 24 24 ARG HG3 H 1 1.685 0 . 2 . . . . 67 ARG HG3 . 16065 1 1452 . 2 2 24 24 ARG C C 13 177.147 0 . 1 . . . . 67 ARG C . 16065 1 1453 . 2 2 24 24 ARG CA C 13 59.004 0 . 1 . . . . 67 ARG CA . 16065 1 1454 . 2 2 24 24 ARG CB C 13 30.472 0 . 1 . . . . 67 ARG CB . 16065 1 1455 . 2 2 24 24 ARG CD C 13 43.496 0 . 1 . . . . 67 ARG CD . 16065 1 1456 . 2 2 24 24 ARG CG C 13 27.671 0 . 1 . . . . 67 ARG CG . 16065 1 1457 . 2 2 24 24 ARG N N 15 118.427 0 . 1 . . . . 67 ARG N . 16065 1 1458 . 2 2 25 25 ASN H H 1 7.322 0.002 . 1 . . . . 68 ASN H . 16065 1 1459 . 2 2 25 25 ASN HA H 1 5.064 0 . 1 . . . . 68 ASN HA . 16065 1 1460 . 2 2 25 25 ASN HB2 H 1 2.851 0 . 2 . . . . 68 ASN HB2 . 16065 1 1461 . 2 2 25 25 ASN HB3 H 1 2.7145 0 . 2 . . . . 68 ASN HB3 . 16065 1 1462 . 2 2 25 25 ASN HD21 H 1 7.635 0.002 . 2 . . . . 68 ASN HD21 . 16065 1 1463 . 2 2 25 25 ASN HD22 H 1 6.914 0.001 . 2 . . . . 68 ASN HD22 . 16065 1 1464 . 2 2 25 25 ASN CA C 13 51.014 0 . 1 . . . . 68 ASN CA . 16065 1 1465 . 2 2 25 25 ASN CB C 13 38.696 0 . 1 . . . . 68 ASN CB . 16065 1 1466 . 2 2 25 25 ASN N N 15 114.083 0 . 1 . . . . 68 ASN N . 16065 1 1467 . 2 2 25 25 ASN ND2 N 15 112.28 0.012 . 1 . . . . 68 ASN ND2 . 16065 1 1468 . 2 2 26 26 PRO HA H 1 4.521 0 . 1 . . . . 69 PRO HA . 16065 1 1469 . 2 2 26 26 PRO HB2 H 1 2.378 0.001 . 2 . . . . 69 PRO HB2 . 16065 1 1470 . 2 2 26 26 PRO HB3 H 1 1.9825 0 . 2 . . . . 69 PRO HB3 . 16065 1 1471 . 2 2 26 26 PRO HD2 H 1 3.64 0 . 2 . . . . 69 PRO HD2 . 16065 1 1472 . 2 2 26 26 PRO HD3 H 1 3.6 0 . 2 . . . . 69 PRO HD3 . 16065 1 1473 . 2 2 26 26 PRO HG2 H 1 2.155 0 . 2 . . . . 69 PRO HG2 . 16065 1 1474 . 2 2 26 26 PRO HG3 H 1 2.114 0 . 2 . . . . 69 PRO HG3 . 16065 1 1475 . 2 2 26 26 PRO C C 13 177.323 0 . 1 . . . . 69 PRO C . 16065 1 1476 . 2 2 26 26 PRO CA C 13 63.698 0 . 1 . . . . 69 PRO CA . 16065 1 1477 . 2 2 26 26 PRO CB C 13 33.286 0 . 1 . . . . 69 PRO CB . 16065 1 1478 . 2 2 26 26 PRO CD C 13 49.208 0 . 1 . . . . 69 PRO CD . 16065 1 1479 . 2 2 26 26 PRO CG C 13 27.133 0 . 1 . . . . 69 PRO CG . 16065 1 1480 . 2 2 27 27 LYS H H 1 8.672 0.002 . 1 . . . . 70 LYS H . 16065 1 1481 . 2 2 27 27 LYS HA H 1 4.98 0 . 1 . . . . 70 LYS HA . 16065 1 1482 . 2 2 27 27 LYS HB2 H 1 1.985 0 . 2 . . . . 70 LYS HB2 . 16065 1 1483 . 2 2 27 27 LYS HB3 H 1 1.882 0 . 2 . . . . 70 LYS HB3 . 16065 1 1484 . 2 2 27 27 LYS HD2 H 1 1.763 0 . 2 . . . . 70 LYS HD2 . 16065 1 1485 . 2 2 27 27 LYS HD3 H 1 1.64 0 . 2 . . . . 70 LYS HD3 . 16065 1 1486 . 2 2 27 27 LYS HE2 H 1 3.055 0 . 2 . . . . 70 LYS HE2 . 16065 1 1487 . 2 2 27 27 LYS HE3 H 1 2.965 0 . 2 . . . . 70 LYS HE3 . 16065 1 1488 . 2 2 27 27 LYS HG2 H 1 1.636 0.002 . 2 . . . . 70 LYS HG2 . 16065 1 1489 . 2 2 27 27 LYS HG3 H 1 1.435 0 . 2 . . . . 70 LYS HG3 . 16065 1 1490 . 2 2 27 27 LYS CA C 13 52.767 0 . 1 . . . . 70 LYS CA . 16065 1 1491 . 2 2 27 27 LYS CB C 13 33.54 0 . 1 . . . . 70 LYS CB . 16065 1 1492 . 2 2 27 27 LYS CD C 13 29.236 0 . 1 . . . . 70 LYS CD . 16065 1 1493 . 2 2 27 27 LYS CE C 13 42.013 0 . 1 . . . . 70 LYS CE . 16065 1 1494 . 2 2 27 27 LYS CG C 13 23.922 0 . 1 . . . . 70 LYS CG . 16065 1 1495 . 2 2 27 27 LYS N N 15 121.21 0 . 1 . . . . 70 LYS N . 16065 1 1496 . 2 2 28 28 PRO HA H 1 4.467 0 . 1 . . . . 71 PRO HA . 16065 1 1497 . 2 2 28 28 PRO HB2 H 1 1.67 0 . 2 . . . . 71 PRO HB2 . 16065 1 1498 . 2 2 28 28 PRO HB3 H 1 1.633 0 . 2 . . . . 71 PRO HB3 . 16065 1 1499 . 2 2 28 28 PRO HD2 H 1 3.644 0.002 . 2 . . . . 71 PRO HD2 . 16065 1 1500 . 2 2 28 28 PRO HD3 H 1 3.206 0 . 2 . . . . 71 PRO HD3 . 16065 1 1501 . 2 2 28 28 PRO HG2 H 1 1.966 0 . 2 . . . . 71 PRO HG2 . 16065 1 1502 . 2 2 28 28 PRO HG3 H 1 1.616 0.001 . 2 . . . . 71 PRO HG3 . 16065 1 1503 . 2 2 28 28 PRO C C 13 177.235 0 . 1 . . . . 71 PRO C . 16065 1 1504 . 2 2 28 28 PRO CA C 13 63.859 0 . 1 . . . . 71 PRO CA . 16065 1 1505 . 2 2 28 28 PRO CB C 13 32.632 0 . 1 . . . . 71 PRO CB . 16065 1 1506 . 2 2 28 28 PRO CD C 13 49.769 0 . 1 . . . . 71 PRO CD . 16065 1 1507 . 2 2 28 28 PRO CG C 13 27.196 0 . 1 . . . . 71 PRO CG . 16065 1 1508 . 2 2 29 29 VAL H H 1 9.036 0.001 . 1 . . . . 72 VAL H . 16065 1 1509 . 2 2 29 29 VAL HA H 1 4.155 0 . 1 . . . . 72 VAL HA . 16065 1 1510 . 2 2 29 29 VAL HB H 1 2.2225 0 . 1 . . . . 72 VAL HB . 16065 1 1511 . 2 2 29 29 VAL HG11 H 1 0.888 0 . 2 . . . . 72 VAL QG1 . 16065 1 1512 . 2 2 29 29 VAL HG12 H 1 0.888 0 . 2 . . . . 72 VAL QG1 . 16065 1 1513 . 2 2 29 29 VAL HG13 H 1 0.888 0 . 2 . . . . 72 VAL QG1 . 16065 1 1514 . 2 2 29 29 VAL HG21 H 1 1.037 0 . 2 . . . . 72 VAL QG2 . 16065 1 1515 . 2 2 29 29 VAL HG22 H 1 1.037 0 . 2 . . . . 72 VAL QG2 . 16065 1 1516 . 2 2 29 29 VAL HG23 H 1 1.037 0 . 2 . . . . 72 VAL QG2 . 16065 1 1517 . 2 2 29 29 VAL C C 13 174.554 0 . 1 . . . . 72 VAL C . 16065 1 1518 . 2 2 29 29 VAL CA C 13 61.506 0.023 . 1 . . . . 72 VAL CA . 16065 1 1519 . 2 2 29 29 VAL CB C 13 34.764 0 . 1 . . . . 72 VAL CB . 16065 1 1520 . 2 2 29 29 VAL CG1 C 13 20.751 0 . 2 . . . . 72 VAL CG1 . 16065 1 1521 . 2 2 29 29 VAL CG2 C 13 20.438 0 . 2 . . . . 72 VAL CG2 . 16065 1 1522 . 2 2 29 29 VAL N N 15 124.322 0.054 . 1 . . . . 72 VAL N . 16065 1 1523 . 2 2 30 30 ARG H H 1 8.437 0.002 . 1 . . . . 73 ARG H . 16065 1 1524 . 2 2 30 30 ARG HA H 1 5.195 0 . 1 . . . . 73 ARG HA . 16065 1 1525 . 2 2 30 30 ARG HB2 H 1 1.8515 0 . 2 . . . . 73 ARG HB2 . 16065 1 1526 . 2 2 30 30 ARG HB3 H 1 1.8 0 . 2 . . . . 73 ARG HB3 . 16065 1 1527 . 2 2 30 30 ARG HD2 H 1 3.8235 0 . 2 . . . . 73 ARG HD2 . 16065 1 1528 . 2 2 30 30 ARG HD3 H 1 3.25 0.004 . 2 . . . . 73 ARG HD3 . 16065 1 1529 . 2 2 30 30 ARG HG2 H 1 1.817 0 . 2 . . . . 73 ARG HG2 . 16065 1 1530 . 2 2 30 30 ARG HG3 H 1 1.367 0 . 2 . . . . 73 ARG HG3 . 16065 1 1531 . 2 2 30 30 ARG C C 13 176.248 0 . 1 . . . . 73 ARG C . 16065 1 1532 . 2 2 30 30 ARG CA C 13 55.189 0 . 1 . . . . 73 ARG CA . 16065 1 1533 . 2 2 30 30 ARG CB C 13 27.764 0 . 1 . . . . 73 ARG CB . 16065 1 1534 . 2 2 30 30 ARG CD C 13 39.876 0 . 1 . . . . 73 ARG CD . 16065 1 1535 . 2 2 30 30 ARG CG C 13 24.479 0 . 1 . . . . 73 ARG CG . 16065 1 1536 . 2 2 30 30 ARG N N 15 129.461 0 . 1 . . . . 73 ARG N . 16065 1 1537 . 2 2 31 31 VAL H H 1 8.822 0.001 . 1 . . . . 74 VAL H . 16065 1 1538 . 2 2 31 31 VAL HA H 1 4.889 0.002 . 1 . . . . 74 VAL HA . 16065 1 1539 . 2 2 31 31 VAL HB H 1 1.9 0 . 1 . . . . 74 VAL HB . 16065 1 1540 . 2 2 31 31 VAL HG11 H 1 0.72 0 . 2 . . . . 74 VAL QG1 . 16065 1 1541 . 2 2 31 31 VAL HG12 H 1 0.72 0 . 2 . . . . 74 VAL QG1 . 16065 1 1542 . 2 2 31 31 VAL HG13 H 1 0.72 0 . 2 . . . . 74 VAL QG1 . 16065 1 1543 . 2 2 31 31 VAL HG21 H 1 0.609 0 . 2 . . . . 74 VAL QG2 . 16065 1 1544 . 2 2 31 31 VAL HG22 H 1 0.609 0 . 2 . . . . 74 VAL QG2 . 16065 1 1545 . 2 2 31 31 VAL HG23 H 1 0.609 0 . 2 . . . . 74 VAL QG2 . 16065 1 1546 . 2 2 31 31 VAL C C 13 173.965 0 . 1 . . . . 74 VAL C . 16065 1 1547 . 2 2 31 31 VAL CA C 13 59.055 0 . 1 . . . . 74 VAL CA . 16065 1 1548 . 2 2 31 31 VAL CB C 13 35.653 0 . 1 . . . . 74 VAL CB . 16065 1 1549 . 2 2 31 31 VAL CG1 C 13 21.464 0 . 2 . . . . 74 VAL CG1 . 16065 1 1550 . 2 2 31 31 VAL CG2 C 13 19.323 0 . 2 . . . . 74 VAL CG2 . 16065 1 1551 . 2 2 31 31 VAL N N 15 123.375 0 . 1 . . . . 74 VAL N . 16065 1 1552 . 2 2 32 32 THR H H 1 7.855 0.002 . 1 . . . . 75 THR H . 16065 1 1553 . 2 2 32 32 THR HA H 1 4.73 0 . 1 . . . . 75 THR HA . 16065 1 1554 . 2 2 32 32 THR HB H 1 4.5 0 . 1 . . . . 75 THR HB . 16065 1 1555 . 2 2 32 32 THR HG21 H 1 1.266 0 . 1 . . . . 75 THR QG2 . 16065 1 1556 . 2 2 32 32 THR HG22 H 1 1.266 0 . 1 . . . . 75 THR QG2 . 16065 1 1557 . 2 2 32 32 THR HG23 H 1 1.266 0 . 1 . . . . 75 THR QG2 . 16065 1 1558 . 2 2 32 32 THR C C 13 175.865 0 . 1 . . . . 75 THR C . 16065 1 1559 . 2 2 32 32 THR CA C 13 59.052 0 . 1 . . . . 75 THR CA . 16065 1 1560 . 2 2 32 32 THR CB C 13 71.228 0 . 1 . . . . 75 THR CB . 16065 1 1561 . 2 2 32 32 THR CG2 C 13 21.761 0 . 1 . . . . 75 THR CG2 . 16065 1 1562 . 2 2 32 32 THR N N 15 109.507 0 . 1 . . . . 75 THR N . 16065 1 1563 . 2 2 33 33 LEU H H 1 8.841 0.002 . 1 . . . . 76 LEU H . 16065 1 1564 . 2 2 33 33 LEU HA H 1 3.773 0 . 1 . . . . 76 LEU HA . 16065 1 1565 . 2 2 33 33 LEU HB2 H 1 1.75 0 . 2 . . . . 76 LEU HB2 . 16065 1 1566 . 2 2 33 33 LEU HB3 H 1 1.4945 0 . 2 . . . . 76 LEU HB3 . 16065 1 1567 . 2 2 33 33 LEU HD11 H 1 0.94 0 . 2 . . . . 76 LEU QD1 . 16065 1 1568 . 2 2 33 33 LEU HD12 H 1 0.94 0 . 2 . . . . 76 LEU QD1 . 16065 1 1569 . 2 2 33 33 LEU HD13 H 1 0.94 0 . 2 . . . . 76 LEU QD1 . 16065 1 1570 . 2 2 33 33 LEU HD21 H 1 0.775 0 . 2 . . . . 76 LEU QD2 . 16065 1 1571 . 2 2 33 33 LEU HD22 H 1 0.775 0 . 2 . . . . 76 LEU QD2 . 16065 1 1572 . 2 2 33 33 LEU HD23 H 1 0.775 0 . 2 . . . . 76 LEU QD2 . 16065 1 1573 . 2 2 33 33 LEU HG H 1 1.72 0 . 1 . . . . 76 LEU HG . 16065 1 1574 . 2 2 33 33 LEU C C 13 178.737 0 . 1 . . . . 76 LEU C . 16065 1 1575 . 2 2 33 33 LEU CA C 13 57.892 0 . 1 . . . . 76 LEU CA . 16065 1 1576 . 2 2 33 33 LEU CB C 13 41.057 0 . 1 . . . . 76 LEU CB . 16065 1 1577 . 2 2 33 33 LEU CD1 C 13 26.045 0 . 2 . . . . 76 LEU CD1 . 16065 1 1578 . 2 2 33 33 LEU CD2 C 13 23.899 0 . 2 . . . . 76 LEU CD2 . 16065 1 1579 . 2 2 33 33 LEU CG C 13 27.612 0 . 1 . . . . 76 LEU CG . 16065 1 1580 . 2 2 33 33 LEU N N 15 121.099 0 . 1 . . . . 76 LEU N . 16065 1 1581 . 2 2 34 34 ASP H H 1 7.983 0.001 . 1 . . . . 77 ASP H . 16065 1 1582 . 2 2 34 34 ASP HA H 1 4.431 0 . 1 . . . . 77 ASP HA . 16065 1 1583 . 2 2 34 34 ASP HB2 H 1 2.692 0.001 . 2 . . . . 77 ASP HB2 . 16065 1 1584 . 2 2 34 34 ASP HB3 H 1 2.53 0 . 2 . . . . 77 ASP HB3 . 16065 1 1585 . 2 2 34 34 ASP C C 13 177.088 0 . 1 . . . . 77 ASP C . 16065 1 1586 . 2 2 34 34 ASP CA C 13 55.837 0 . 1 . . . . 77 ASP CA . 16065 1 1587 . 2 2 34 34 ASP CB C 13 40.498 0 . 1 . . . . 77 ASP CB . 16065 1 1588 . 2 2 34 34 ASP N N 15 113.851 0 . 1 . . . . 77 ASP N . 16065 1 1589 . 2 2 35 35 GLU H H 1 7.561 0.001 . 1 . . . . 78 GLU H . 16065 1 1590 . 2 2 35 35 GLU HA H 1 4.32 0 . 1 . . . . 78 GLU HA . 16065 1 1591 . 2 2 35 35 GLU HB2 H 1 2.125 0 . 2 . . . . 78 GLU HB2 . 16065 1 1592 . 2 2 35 35 GLU HB3 H 1 2.0815 0 . 2 . . . . 78 GLU HB3 . 16065 1 1593 . 2 2 35 35 GLU HG2 H 1 2.296 0 . 2 . . . . 78 GLU HG2 . 16065 1 1594 . 2 2 35 35 GLU HG3 H 1 2.12 0 . 2 . . . . 78 GLU HG3 . 16065 1 1595 . 2 2 35 35 GLU C C 13 175.482 0 . 1 . . . . 78 GLU C . 16065 1 1596 . 2 2 35 35 GLU CA C 13 55.918 0 . 1 . . . . 78 GLU CA . 16065 1 1597 . 2 2 35 35 GLU CB C 13 30.767 0 . 1 . . . . 78 GLU CB . 16065 1 1598 . 2 2 35 35 GLU CG C 13 36.926 0.01 . 1 . . . . 78 GLU CG . 16065 1 1599 . 2 2 35 35 GLU N N 15 117.508 0 . 1 . . . . 78 GLU N . 16065 1 1600 . 2 2 36 36 LEU H H 1 7.219 0.001 . 1 . . . . 79 LEU H . 16065 1 1601 . 2 2 36 36 LEU HA H 1 4.13 0 . 1 . . . . 79 LEU HA . 16065 1 1602 . 2 2 36 36 LEU HB2 H 1 1.622 0 . 2 . . . . 79 LEU HB2 . 16065 1 1603 . 2 2 36 36 LEU HB3 H 1 1.4545 0 . 2 . . . . 79 LEU HB3 . 16065 1 1604 . 2 2 36 36 LEU HD11 H 1 0.0835 0 . 2 . . . . 79 LEU QD1 . 16065 1 1605 . 2 2 36 36 LEU HD12 H 1 0.0835 0 . 2 . . . . 79 LEU QD1 . 16065 1 1606 . 2 2 36 36 LEU HD13 H 1 0.0835 0 . 2 . . . . 79 LEU QD1 . 16065 1 1607 . 2 2 36 36 LEU HD21 H 1 -0.6155 0 . 2 . . . . 79 LEU QD2 . 16065 1 1608 . 2 2 36 36 LEU HD22 H 1 -0.6155 0 . 2 . . . . 79 LEU QD2 . 16065 1 1609 . 2 2 36 36 LEU HD23 H 1 -0.6155 0 . 2 . . . . 79 LEU QD2 . 16065 1 1610 . 2 2 36 36 LEU HG H 1 1.34 0 . 1 . . . . 79 LEU HG . 16065 1 1611 . 2 2 36 36 LEU CA C 13 56.109 0 . 1 . . . . 79 LEU CA . 16065 1 1612 . 2 2 36 36 LEU CB C 13 42.384 0 . 1 . . . . 79 LEU CB . 16065 1 1613 . 2 2 36 36 LEU CD1 C 13 26.025 0 . 2 . . . . 79 LEU CD1 . 16065 1 1614 . 2 2 36 36 LEU CD2 C 13 19.829 0 . 2 . . . . 79 LEU CD2 . 16065 1 1615 . 2 2 36 36 LEU CG C 13 25.44 0 . 1 . . . . 79 LEU CG . 16065 1 1616 . 2 2 36 36 LEU N N 15 126.929 0 . 1 . . . . 79 LEU N . 16065 1 stop_ save_